![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
653822 |
6rsg ![]() ![]() |
34405 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 54.108 7.849 -10.323 2 H2 GLY 1 HT2 GLY 1 54.090 9.422 -9.681 3 H3 GLY 1 HT3 GLY 1 52.633 8.586 -9.936 4 HA2 GLY 1 HA1 GLY 1 53.502 8.737 -7.599 5 HA3 GLY 1 HA2 GLY 1 52.957 7.161 -8.207 6 H TRP 2 HN TRP 2 54.869 7.829 -6.055 7 HA TRP 2 HA TRP 2 56.862 5.852 -6.716 8 HB2 TRP 2 HB2 TRP 2 58.855 7.387 -6.569 9 HB3 TRP 2 HB1 TRP 2 57.893 7.584 -8.053 10 HD1 TRP 2 HD1 TRP 2 56.684 9.849 -8.437 11 HE1 TRP 2 HE1 TRP 2 56.657 12.142 -7.210 12 HE3 TRP 2 HE3 TRP 2 59.015 8.467 -4.094 13 HZ2 TRP 2 HZ2 TRP 2 57.541 13.199 -4.681 14 HZ3 TRP 2 HZ3 TRP 2 59.413 10.135 -2.287 15 HH2 TRP 2 HH2 TRP 2 58.679 12.498 -2.578 16 H GLY 3 HN GLY 3 55.584 8.421 -4.715 17 HA2 GLY 3 HA1 GLY 3 57.254 8.081 -2.431 18 HA3 GLY 3 HA2 GLY 3 55.599 8.718 -2.422 19 H SER 4 HN SER 4 54.731 6.092 -3.751 20 HA SER 4 HA SER 4 55.262 4.003 -1.825 21 HB2 SER 4 HB2 SER 4 53.947 5.194 -0.246 22 HB3 SER 4 HB1 SER 4 52.756 5.676 -1.475 23 HG SER 4 HG SER 4 53.240 3.102 -0.369 24 H PHE 5 HN PHE 5 54.559 2.050 -2.554 25 HA PHE 5 HA PHE 5 53.540 1.971 -5.283 26 HB2 PHE 5 HB2 PHE 5 53.868 -0.295 -3.278 27 HB3 PHE 5 HB1 PHE 5 53.706 -0.448 -5.044 28 HD1 PHE 5 HD1 PHE 5 55.541 0.177 -6.545 29 HD2 PHE 5 HD2 PHE 5 55.931 0.585 -2.266 30 HE1 PHE 5 HE1 PHE 5 58.002 0.475 -6.798 31 HE2 PHE 5 HE2 PHE 5 58.392 0.884 -2.519 32 HZ PHE 5 HZ PHE 5 59.421 0.872 -4.788 33 H PHE 6 HN PHE 6 51.689 0.451 -5.841 34 HA PHE 6 HA PHE 6 49.282 1.505 -4.684 35 HB2 PHE 6 HB2 PHE 6 49.782 -0.934 -6.431 36 HB3 PHE 6 HB1 PHE 6 48.166 -0.311 -6.020 37 HD1 PHE 6 HD1 PHE 6 47.441 1.939 -6.798 38 HD2 PHE 6 HD2 PHE 6 51.221 0.237 -7.999 39 HE1 PHE 6 HE1 PHE 6 47.617 3.620 -8.629 40 HE2 PHE 6 HE2 PHE 6 51.395 1.917 -9.830 41 HZ PHE 6 HZ PHE 6 49.556 3.557 -10.193 42 H LYS 7 HN LYS 7 50.253 -1.950 -4.765 43 HA LYS 7 HA LYS 7 49.798 -3.652 -3.253 44 HB2 LYS 7 HB2 LYS 7 50.433 -1.365 -1.349 45 HB3 LYS 7 HB1 LYS 7 50.240 -3.057 -0.833 46 HG2 LYS 7 HG2 LYS 7 52.084 -3.771 -2.233 47 HG3 LYS 7 HG1 LYS 7 52.195 -2.165 -2.993 48 HD2 LYS 7 HD2 LYS 7 52.891 -1.151 -0.895 49 HD3 LYS 7 HD1 LYS 7 52.602 -2.672 -0.014 50 HE2 LYS 7 HE2 LYS 7 54.372 -3.790 -1.299 51 HE3 LYS 7 HE1 LYS 7 54.626 -2.320 -2.268 52 HZ1 LYS 7 HZ1 LYS 7 55.633 -2.972 0.317 53 HZ2 LYS 7 HZ2 LYS 7 54.776 -1.505 0.358 54 HZ3 LYS 7 HZ3 LYS 7 56.073 -1.704 -0.720 55 H LYS 8 HN LYS 8 48.650 -1.369 -0.858 56 HA LYS 8 HA LYS 8 46.072 -2.735 -0.749 57 HB2 LYS 8 HB2 LYS 8 47.369 -1.708 1.217 58 HB3 LYS 8 HB1 LYS 8 46.830 -0.126 0.614 59 HG2 LYS 8 HG2 LYS 8 45.095 -0.589 2.114 60 HG3 LYS 8 HG1 LYS 8 44.412 -1.303 0.637 61 HD2 LYS 8 HD2 LYS 8 45.462 -3.523 1.368 62 HD3 LYS 8 HD1 LYS 8 45.826 -2.740 2.923 63 HE2 LYS 8 HE2 LYS 8 43.446 -2.264 3.281 64 HE3 LYS 8 HE1 LYS 8 43.047 -2.944 1.686 65 HZ1 LYS 8 HZ1 LYS 8 44.603 -4.771 3.209 66 HZ2 LYS 8 HZ2 LYS 8 43.058 -4.979 2.535 67 HZ3 LYS 8 HZ3 LYS 8 43.228 -4.305 4.085 68 H ALA 9 HN ALA 9 46.875 0.747 -1.160 69 HA ALA 9 HA ALA 9 45.112 0.982 -3.476 70 HB1 ALA 9 HB1 ALA 9 44.241 2.298 -0.880 71 HB2 ALA 9 HB2 ALA 9 43.460 0.876 -1.614 72 HB3 ALA 9 HB3 ALA 9 43.448 2.439 -2.466 73 H ALA 10 HN ALA 10 45.197 3.058 -4.452 74 HA ALA 10 HA ALA 10 47.731 4.409 -3.960 75 HB1 ALA 10 HB1 ALA 10 46.927 5.930 -5.781 76 HB2 ALA 10 HB2 ALA 10 45.388 5.036 -5.785 77 HB3 ALA 10 HB3 ALA 10 46.900 4.206 -6.221 78 H HIS 11 HN HIS 11 47.866 6.810 -3.765 79 HA HIS 11 HA HIS 11 47.551 8.653 -2.391 80 HB2 HIS 11 HB2 HIS 11 44.582 8.112 -2.735 81 HB3 HIS 11 HB1 HIS 11 45.393 9.676 -2.477 82 HD1 HIS 11 HD1 HIS 11 43.588 9.221 -4.977 83 HD2 HIS 11 HD2 HIS 11 47.760 8.697 -4.906 84 HE1 HIS 11 HE1 HIS 11 44.419 9.399 -7.387 85 H ALA 12 HN ALA 12 47.892 6.145 -1.046 86 HA ALA 12 HA ALA 12 46.008 5.672 1.018 87 HB1 ALA 12 HB1 ALA 12 49.027 5.365 0.959 88 HB2 ALA 12 HB2 ALA 12 47.799 4.119 0.624 89 HB3 ALA 12 HB3 ALA 12 47.995 4.757 2.274 90 H GLY 13 HN GLY 13 46.724 5.991 3.447 91 HA2 GLY 13 HA1 GLY 13 46.470 8.817 3.947 92 HA3 GLY 13 HA2 GLY 13 46.730 7.549 5.161 93 H LYS 14 HN LYS 14 48.391 9.510 2.680 94 HA LYS 14 HA LYS 14 50.530 10.181 4.503 95 HB2 LYS 14 HB2 LYS 14 51.101 7.773 3.954 96 HB3 LYS 14 HB1 LYS 14 51.312 8.280 2.261 97 HG2 LYS 14 HG2 LYS 14 53.012 9.950 2.990 98 HG3 LYS 14 HG1 LYS 14 52.827 9.383 4.668 99 HD2 LYS 14 HD2 LYS 14 53.438 7.060 3.860 100 HD3 LYS 14 HD1 LYS 14 53.830 7.779 2.280 101 HE2 LYS 14 HE2 LYS 14 55.897 7.662 3.512 102 HE3 LYS 14 HE1 LYS 14 55.396 9.370 3.522 103 HZ1 LYS 14 HZ1 LYS 14 54.495 9.090 5.714 104 HZ2 LYS 14 HZ2 LYS 14 56.101 8.538 5.720 105 HZ3 LYS 14 HZ3 LYS 14 54.818 7.425 5.702 106 H HIS 15 HN HIS 15 50.389 9.427 0.988 107 HA HIS 15 HA HIS 15 51.602 11.983 0.312 108 HB2 HIS 15 HB2 HIS 15 51.813 9.865 -1.041 109 HB3 HIS 15 HB1 HIS 15 50.106 10.059 -1.510 110 HD1 HIS 15 HD1 HIS 15 53.449 11.932 -1.686 111 HD2 HIS 15 HD2 HIS 15 49.696 11.874 -3.586 112 HE1 HIS 15 HE1 HIS 15 53.596 13.485 -3.711 113 H ALA 16 HN ALA 16 48.470 11.059 1.213 114 HA ALA 16 HA ALA 16 47.427 13.713 0.510 115 HB1 ALA 16 HB1 ALA 16 47.108 12.409 -1.600 116 HB2 ALA 16 HB2 ALA 16 45.581 12.944 -0.858 117 HB3 ALA 16 HB3 ALA 16 46.110 11.253 -0.690 118 H GLY 17 HN GLY 17 47.907 12.630 2.976 119 HA2 GLY 17 HA1 GLY 17 45.517 11.308 4.016 120 HA3 GLY 17 HA2 GLY 17 46.892 11.926 4.951 121 H LYS 18 HN LYS 18 44.400 13.357 2.789 122 HA LYS 18 HA LYS 18 43.074 15.236 3.099 123 HB2 LYS 18 HB2 LYS 18 43.177 14.415 6.028 124 HB3 LYS 18 HB1 LYS 18 41.942 15.433 5.250 125 HG2 LYS 18 HG2 LYS 18 41.250 13.570 3.817 126 HG3 LYS 18 HG1 LYS 18 42.548 12.545 4.476 127 HD2 LYS 18 HD2 LYS 18 41.533 12.797 6.757 128 HD3 LYS 18 HD1 LYS 18 40.188 13.702 6.021 129 HE2 LYS 18 HE2 LYS 18 40.982 10.815 5.459 130 HE3 LYS 18 HE1 LYS 18 39.495 11.384 6.254 131 HZ1 LYS 18 HZ1 LYS 18 38.692 11.213 4.170 132 HZ2 LYS 18 HZ2 LYS 18 40.213 11.369 3.430 133 HZ3 LYS 18 HZ3 LYS 18 39.385 12.748 3.974 134 H ALA 19 HN ALA 19 46.157 15.225 3.774 135 HA ALA 19 HA ALA 19 46.268 18.091 4.263 136 HB1 ALA 19 HB1 ALA 19 47.296 16.243 6.445 137 HB2 ALA 19 HB2 ALA 19 45.869 17.300 6.570 138 HB3 ALA 19 HB3 ALA 19 47.491 18.010 6.385 139 H ALA 20 HN ALA 20 47.496 15.092 3.318 140 HA ALA 20 HA ALA 20 49.478 14.453 2.300 141 HB1 ALA 20 HB1 ALA 20 49.880 17.416 1.792 142 HB2 ALA 20 HB2 ALA 20 48.767 16.395 0.848 143 HB3 ALA 20 HB3 ALA 20 50.514 16.051 0.842 144 H LEU 21 HN LEU 21 50.808 13.636 3.813 145 HA LEU 21 HA LEU 21 52.583 13.542 5.296 146 HB2 LEU 21 HB2 LEU 21 53.399 16.291 4.292 147 HB3 LEU 21 HB1 LEU 21 54.436 15.005 4.948 148 HG LEU 21 HG LEU 21 52.850 14.849 2.342 149 HD11 LEU 21 HD11 LEU 21 54.791 16.413 2.279 150 HD12 LEU 21 HD12 LEU 21 55.057 14.976 1.263 151 HD13 LEU 21 HD13 LEU 21 55.847 15.100 2.853 152 HD21 LEU 21 HD21 LEU 21 54.404 12.787 2.058 153 HD22 LEU 21 HD22 LEU 21 53.040 12.621 3.185 154 HD23 LEU 21 HD23 LEU 21 54.681 12.908 3.812 155 H THR 22 HN THR 22 52.170 17.105 5.323 156 HA THR 22 HA THR 22 50.668 17.122 7.791 157 HB THR 22 HB THR 22 52.729 16.406 8.862 158 HG1 THR 22 HG1 THR 22 52.902 19.161 9.253 159 HG21 THR 22 HG21 THR 22 54.235 17.042 6.966 160 HG22 THR 22 HG22 THR 22 54.846 17.590 8.545 161 HG23 THR 22 HG23 THR 22 54.065 18.748 7.442 162 H HIS 23 HN HIS 23 50.862 18.344 5.078 163 HA HIS 23 HA HIS 23 51.567 21.168 5.601 164 HB2 HIS 23 HB2 HIS 23 50.252 19.854 3.188 165 HB3 HIS 23 HB1 HIS 23 50.899 21.511 3.264 166 HD1 HIS 23 HD1 HIS 23 53.404 20.425 5.140 167 HD2 HIS 23 HD2 HIS 23 52.332 19.245 1.247 168 HE1 HIS 23 HE1 HIS 23 55.480 19.408 4.053 169 H TYR 24 HN TYR 24 50.126 22.915 5.571 170 HA TYR 24 HA TYR 24 47.272 22.559 5.303 171 HB2 TYR 24 HB2 TYR 24 47.684 21.420 7.524 172 HB3 TYR 24 HB1 TYR 24 48.249 22.986 8.152 173 HD1 TYR 24 HD1 TYR 24 45.325 21.095 6.867 174 HD2 TYR 24 HD2 TYR 24 46.697 24.836 8.525 175 HE1 TYR 24 HE1 TYR 24 42.964 21.781 7.271 176 HE2 TYR 24 HE2 TYR 24 44.336 25.523 8.930 177 HH TYR 24 HH TYR 24 41.610 23.414 7.978 178 H LEU 25 HN LEU 25 50.101 24.330 5.588 179 HA LEU 25 HA LEU 25 49.200 26.852 6.539 180 HB2 LEU 25 HB2 LEU 25 51.556 26.445 6.228 181 HB3 LEU 25 HB1 LEU 25 51.330 26.085 4.503 182 HG LEU 25 HG LEU 25 50.782 28.396 4.012 183 HD11 LEU 25 HD11 LEU 25 50.702 28.683 7.042 184 HD12 LEU 25 HD12 LEU 25 49.437 29.094 5.858 185 HD13 LEU 25 HD13 LEU 25 50.904 30.092 5.975 186 HD21 LEU 25 HD21 LEU 25 52.867 29.517 4.703 187 HD22 LEU 25 HD22 LEU 25 53.191 27.823 4.260 188 HD23 LEU 25 HD23 LEU 25 53.117 28.297 5.974 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 60.059 3.143 -10.893 2 H2 GLY 1 HT2 GLY 1 60.552 4.651 -11.500 3 H3 GLY 1 HT3 GLY 1 59.836 4.541 -9.962 4 HA2 GLY 1 HA1 GLY 1 62.533 4.011 -10.817 5 HA3 GLY 1 HA2 GLY 1 61.919 4.630 -9.271 6 H TRP 2 HN TRP 2 62.316 3.338 -7.623 7 HA TRP 2 HA TRP 2 63.139 0.605 -7.958 8 HB2 TRP 2 HB2 TRP 2 62.078 1.974 -5.455 9 HB3 TRP 2 HB1 TRP 2 63.069 0.496 -5.520 10 HD1 TRP 2 HD1 TRP 2 63.260 4.278 -6.119 11 HE1 TRP 2 HE1 TRP 2 65.750 5.030 -6.133 12 HE3 TRP 2 HE3 TRP 2 65.495 -0.324 -5.917 13 HZ2 TRP 2 HZ2 TRP 2 68.340 3.776 -6.065 14 HZ3 TRP 2 HZ3 TRP 2 67.978 -0.522 -5.893 15 HH2 TRP 2 HH2 TRP 2 69.401 1.521 -5.966 16 H GLY 3 HN GLY 3 60.018 2.151 -7.467 17 HA2 GLY 3 HA1 GLY 3 58.517 -0.056 -8.348 18 HA3 GLY 3 HA2 GLY 3 58.616 -0.205 -6.583 19 H SER 4 HN SER 4 58.837 2.870 -6.524 20 HA SER 4 HA SER 4 57.348 4.606 -6.143 21 HB2 SER 4 HB2 SER 4 55.603 3.357 -8.292 22 HB3 SER 4 HB1 SER 4 55.710 5.068 -7.823 23 HG SER 4 HG SER 4 57.596 5.236 -8.846 24 H PHE 5 HN PHE 5 54.681 4.935 -6.059 25 HA PHE 5 HA PHE 5 53.384 2.637 -4.746 26 HB2 PHE 5 HB2 PHE 5 54.035 5.143 -3.142 27 HB3 PHE 5 HB1 PHE 5 53.059 3.762 -2.589 28 HD1 PHE 5 HD1 PHE 5 54.107 1.549 -2.186 29 HD2 PHE 5 HD2 PHE 5 56.461 4.990 -3.307 30 HE1 PHE 5 HE1 PHE 5 56.180 0.364 -1.476 31 HE2 PHE 5 HE2 PHE 5 58.534 3.804 -2.595 32 HZ PHE 5 HZ PHE 5 58.396 1.477 -1.713 33 H PHE 6 HN PHE 6 52.903 4.309 -7.067 34 HA PHE 6 HA PHE 6 50.857 6.261 -6.395 35 HB2 PHE 6 HB2 PHE 6 52.195 6.333 -8.491 36 HB3 PHE 6 HB1 PHE 6 51.398 4.835 -9.031 37 HD1 PHE 6 HD1 PHE 6 49.346 4.973 -10.220 38 HD2 PHE 6 HD2 PHE 6 50.629 8.313 -7.803 39 HE1 PHE 6 HE1 PHE 6 47.434 6.323 -11.070 40 HE2 PHE 6 HE2 PHE 6 48.715 9.662 -8.655 41 HZ PHE 6 HZ PHE 6 47.163 8.692 -10.344 42 H LYS 7 HN LYS 7 50.790 2.939 -7.760 43 HA LYS 7 HA LYS 7 47.947 2.744 -7.901 44 HB2 LYS 7 HB2 LYS 7 50.055 0.586 -7.486 45 HB3 LYS 7 HB1 LYS 7 48.353 0.276 -7.911 46 HG2 LYS 7 HG2 LYS 7 48.735 1.839 -9.930 47 HG3 LYS 7 HG1 LYS 7 50.472 1.716 -9.557 48 HD2 LYS 7 HD2 LYS 7 48.623 -0.654 -10.084 49 HD3 LYS 7 HD1 LYS 7 49.746 0.047 -11.272 50 HE2 LYS 7 HE2 LYS 7 51.596 -0.374 -9.499 51 HE3 LYS 7 HE1 LYS 7 50.399 -1.416 -8.691 52 HZ1 LYS 7 HZ1 LYS 7 51.357 -2.918 -10.078 53 HZ2 LYS 7 HZ2 LYS 7 51.753 -1.770 -11.266 54 HZ3 LYS 7 HZ3 LYS 7 50.159 -2.340 -11.130 55 H LYS 8 HN LYS 8 49.328 0.301 -5.853 56 HA LYS 8 HA LYS 8 47.271 0.585 -3.892 57 HB2 LYS 8 HB2 LYS 8 48.682 -0.962 -2.524 58 HB3 LYS 8 HB1 LYS 8 48.444 -1.527 -4.194 59 HG2 LYS 8 HG2 LYS 8 50.669 -0.421 -4.772 60 HG3 LYS 8 HG1 LYS 8 50.909 -0.171 -3.026 61 HD2 LYS 8 HD2 LYS 8 50.676 -2.611 -2.645 62 HD3 LYS 8 HD1 LYS 8 50.458 -2.859 -4.395 63 HE2 LYS 8 HE2 LYS 8 52.799 -3.296 -3.758 64 HE3 LYS 8 HE1 LYS 8 52.701 -1.857 -4.802 65 HZ1 LYS 8 HZ1 LYS 8 54.060 -1.801 -2.592 66 HZ2 LYS 8 HZ2 LYS 8 52.542 -1.523 -1.881 67 HZ3 LYS 8 HZ3 LYS 8 53.139 -0.456 -3.061 68 H ALA 9 HN ALA 9 47.041 1.803 -2.134 69 HA ALA 9 HA ALA 9 49.251 2.821 -0.592 70 HB1 ALA 9 HB1 ALA 9 49.618 4.317 -2.464 71 HB2 ALA 9 HB2 ALA 9 48.916 5.244 -1.116 72 HB3 ALA 9 HB3 ALA 9 47.896 4.764 -2.494 73 H ALA 10 HN ALA 10 45.883 2.935 -1.605 74 HA ALA 10 HA ALA 10 43.941 3.392 -0.417 75 HB1 ALA 10 HB1 ALA 10 44.751 1.339 0.728 76 HB2 ALA 10 HB2 ALA 10 43.815 2.405 1.803 77 HB3 ALA 10 HB3 ALA 10 45.591 2.363 1.916 78 H HIS 11 HN HIS 11 43.245 4.298 2.001 79 HA HIS 11 HA HIS 11 44.040 7.089 1.858 80 HB2 HIS 11 HB2 HIS 11 42.533 5.749 4.131 81 HB3 HIS 11 HB1 HIS 11 42.446 7.446 3.597 82 HD1 HIS 11 HD1 HIS 11 40.970 8.018 1.577 83 HD2 HIS 11 HD2 HIS 11 41.254 3.886 2.299 84 HE1 HIS 11 HE1 HIS 11 39.200 6.870 0.135 85 H ALA 12 HN ALA 12 43.924 7.507 4.789 86 HA ALA 12 HA ALA 12 45.476 7.858 6.477 87 HB1 ALA 12 HB1 ALA 12 46.584 5.144 5.698 88 HB2 ALA 12 HB2 ALA 12 45.088 5.358 6.638 89 HB3 ALA 12 HB3 ALA 12 46.642 5.932 7.292 90 H GLY 13 HN GLY 13 46.800 9.500 5.960 91 HA2 GLY 13 HA1 GLY 13 48.831 10.484 5.403 92 HA3 GLY 13 HA2 GLY 13 49.495 8.868 5.087 93 H LYS 14 HN LYS 14 46.544 9.816 3.512 94 HA LYS 14 HA LYS 14 47.792 10.959 1.148 95 HB2 LYS 14 HB2 LYS 14 48.479 8.564 0.914 96 HB3 LYS 14 HB1 LYS 14 46.760 8.104 0.922 97 HG2 LYS 14 HG2 LYS 14 46.340 9.395 -1.094 98 HG3 LYS 14 HG1 LYS 14 47.988 10.069 -1.058 99 HD2 LYS 14 HD2 LYS 14 48.972 7.913 -1.504 100 HD3 LYS 14 HD1 LYS 14 47.416 7.084 -1.255 101 HE2 LYS 14 HE2 LYS 14 47.848 7.284 -3.657 102 HE3 LYS 14 HE1 LYS 14 46.481 8.335 -3.216 103 HZ1 LYS 14 HZ1 LYS 14 47.701 10.207 -3.538 104 HZ2 LYS 14 HZ2 LYS 14 48.505 9.202 -4.647 105 HZ3 LYS 14 HZ3 LYS 14 49.175 9.484 -3.111 106 H HIS 15 HN HIS 15 46.303 12.358 0.501 107 HA HIS 15 HA HIS 15 44.230 13.293 0.059 108 HB2 HIS 15 HB2 HIS 15 44.165 11.360 -1.543 109 HB3 HIS 15 HB1 HIS 15 43.313 10.414 -0.300 110 HD1 HIS 15 HD1 HIS 15 42.411 13.972 -0.151 111 HD2 HIS 15 HD2 HIS 15 41.115 10.618 -2.334 112 HE1 HIS 15 HE1 HIS 15 40.113 14.532 -1.115 113 H ALA 16 HN ALA 16 44.912 11.720 2.786 114 HA ALA 16 HA ALA 16 42.610 12.780 4.186 115 HB1 ALA 16 HB1 ALA 16 41.652 10.686 3.147 116 HB2 ALA 16 HB2 ALA 16 41.571 10.746 4.925 117 HB3 ALA 16 HB3 ALA 16 42.812 9.753 4.123 118 H GLY 17 HN GLY 17 45.573 12.762 4.171 119 HA2 GLY 17 HA1 GLY 17 46.332 11.294 6.612 120 HA3 GLY 17 HA2 GLY 17 47.366 12.343 5.624 121 H LYS 18 HN LYS 18 44.999 12.190 8.221 122 HA LYS 18 HA LYS 18 44.531 13.670 9.932 123 HB2 LYS 18 HB2 LYS 18 47.075 13.581 10.108 124 HB3 LYS 18 HB1 LYS 18 47.108 15.107 9.195 125 HG2 LYS 18 HG2 LYS 18 45.746 16.210 10.907 126 HG3 LYS 18 HG1 LYS 18 45.578 14.679 11.799 127 HD2 LYS 18 HD2 LYS 18 48.020 14.596 12.149 128 HD3 LYS 18 HD1 LYS 18 48.212 16.111 11.234 129 HE2 LYS 18 HE2 LYS 18 46.852 17.318 12.886 130 HE3 LYS 18 HE1 LYS 18 46.559 15.806 13.780 131 HZ1 LYS 18 HZ1 LYS 18 48.405 17.273 14.634 132 HZ2 LYS 18 HZ2 LYS 18 49.289 16.847 13.246 133 HZ3 LYS 18 HZ3 LYS 18 48.820 15.651 14.359 134 H ALA 19 HN ALA 19 46.306 15.955 7.809 135 HA ALA 19 HA ALA 19 43.707 17.352 7.235 136 HB1 ALA 19 HB1 ALA 19 46.259 18.597 8.320 137 HB2 ALA 19 HB2 ALA 19 44.660 18.555 9.102 138 HB3 ALA 19 HB3 ALA 19 44.906 19.522 7.627 139 H ALA 20 HN ALA 20 44.708 15.702 5.396 140 HA ALA 20 HA ALA 20 45.479 15.620 3.214 141 HB1 ALA 20 HB1 ALA 20 43.886 17.591 3.090 142 HB2 ALA 20 HB2 ALA 20 45.163 17.556 1.850 143 HB3 ALA 20 HB3 ALA 20 45.309 18.647 3.249 144 H LEU 21 HN LEU 21 47.536 14.838 3.861 145 HA LEU 21 HA LEU 21 49.852 14.916 4.042 146 HB2 LEU 21 HB2 LEU 21 49.700 17.299 2.165 147 HB3 LEU 21 HB1 LEU 21 50.978 16.065 2.286 148 HG LEU 21 HG LEU 21 48.113 15.617 1.337 149 HD11 LEU 21 HD11 LEU 21 49.628 16.786 -0.268 150 HD12 LEU 21 HD12 LEU 21 49.177 15.159 -0.832 151 HD13 LEU 21 HD13 LEU 21 50.786 15.442 -0.125 152 HD21 LEU 21 HD21 LEU 21 49.141 13.305 0.731 153 HD22 LEU 21 HD22 LEU 21 48.749 13.599 2.440 154 HD23 LEU 21 HD23 LEU 21 50.435 13.721 1.880 155 H THR 22 HN THR 22 48.341 16.448 6.002 156 HA THR 22 HA THR 22 48.719 18.032 7.655 157 HB THR 22 HB THR 22 51.651 17.796 6.856 158 HG1 THR 22 HG1 THR 22 50.568 15.766 7.240 159 HG21 THR 22 HG21 THR 22 50.223 18.503 9.454 160 HG22 THR 22 HG22 THR 22 51.176 19.607 8.432 161 HG23 THR 22 HG23 THR 22 51.979 18.270 9.291 162 H HIS 23 HN HIS 23 47.695 19.822 6.815 163 HA HIS 23 HA HIS 23 47.542 21.974 5.972 164 HB2 HIS 23 HB2 HIS 23 50.561 22.168 6.230 165 HB3 HIS 23 HB1 HIS 23 49.344 23.458 6.402 166 HD1 HIS 23 HD1 HIS 23 51.527 22.385 8.605 167 HD2 HIS 23 HD2 HIS 23 47.377 21.702 8.537 168 HE1 HIS 23 HE1 HIS 23 50.810 21.818 10.991 169 H TYR 24 HN TYR 24 49.834 23.304 4.524 170 HA TYR 24 HA TYR 24 50.329 21.704 2.146 171 HB2 TYR 24 HB2 TYR 24 48.968 23.017 0.574 172 HB3 TYR 24 HB1 TYR 24 47.933 22.221 1.783 173 HD1 TYR 24 HD1 TYR 24 47.239 23.575 3.867 174 HD2 TYR 24 HD2 TYR 24 48.911 25.389 0.324 175 HE1 TYR 24 HE1 TYR 24 46.325 25.784 4.565 176 HE2 TYR 24 HE2 TYR 24 47.995 27.598 1.023 177 HH TYR 24 HH TYR 24 46.882 28.723 2.621 178 H LEU 25 HN LEU 25 51.877 23.203 4.019 179 HA LEU 25 HA LEU 25 53.560 24.799 4.057 180 HB2 LEU 25 HB2 LEU 25 53.411 24.829 1.025 181 HB3 LEU 25 HB1 LEU 25 54.832 25.063 2.070 182 HG LEU 25 HG LEU 25 53.254 22.478 1.698 183 HD11 LEU 25 HD11 LEU 25 56.149 23.166 1.026 184 HD12 LEU 25 HD12 LEU 25 54.818 23.187 -0.156 185 HD13 LEU 25 HD13 LEU 25 55.284 21.661 0.633 186 HD21 LEU 25 HD21 LEU 25 55.531 23.252 3.571 187 HD22 LEU 25 HD22 LEU 25 55.226 21.561 3.108 188 HD23 LEU 25 HD23 LEU 25 53.979 22.482 3.978 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 62.067 -2.660 -5.132 2 H2 GLY 1 HT2 GLY 1 61.465 -4.223 -5.421 3 H3 GLY 1 HT3 GLY 1 61.609 -3.644 -3.830 4 HA2 GLY 1 HA1 GLY 1 59.332 -3.667 -4.746 5 HA3 GLY 1 HA2 GLY 1 59.905 -2.123 -4.084 6 H TRP 2 HN TRP 2 59.848 -3.983 -7.153 7 HA TRP 2 HA TRP 2 60.079 -1.570 -8.768 8 HB2 TRP 2 HB2 TRP 2 60.846 -3.811 -9.532 9 HB3 TRP 2 HB1 TRP 2 59.155 -4.364 -9.552 10 HD1 TRP 2 HD1 TRP 2 57.486 -3.063 -11.275 11 HE1 TRP 2 HE1 TRP 2 57.948 -1.982 -13.594 12 HE3 TRP 2 HE3 TRP 2 62.574 -2.600 -10.951 13 HZ2 TRP 2 HZ2 TRP 2 60.232 -1.053 -15.079 14 HZ3 TRP 2 HZ3 TRP 2 63.875 -1.615 -12.831 15 HH2 TRP 2 HH2 TRP 2 62.709 -0.841 -14.893 16 H GLY 3 HN GLY 3 57.431 -3.998 -8.575 17 HA2 GLY 3 HA1 GLY 3 55.483 -2.401 -9.840 18 HA3 GLY 3 HA2 GLY 3 55.141 -3.721 -8.704 19 H SER 4 HN SER 4 56.791 -2.168 -6.632 20 HA SER 4 HA SER 4 54.516 -0.860 -5.410 21 HB2 SER 4 HB2 SER 4 56.052 -0.296 -3.625 22 HB3 SER 4 HB1 SER 4 56.420 -1.947 -4.172 23 HG SER 4 HG SER 4 57.860 -0.459 -5.701 24 H PHE 5 HN PHE 5 53.979 1.263 -5.209 25 HA PHE 5 HA PHE 5 53.849 3.483 -5.863 26 HB2 PHE 5 HB2 PHE 5 55.984 3.473 -4.482 27 HB3 PHE 5 HB1 PHE 5 56.884 3.372 -6.013 28 HD1 PHE 5 HD1 PHE 5 57.129 5.297 -7.448 29 HD2 PHE 5 HD2 PHE 5 54.491 5.450 -4.035 30 HE1 PHE 5 HE1 PHE 5 56.902 7.762 -7.734 31 HE2 PHE 5 HE2 PHE 5 54.265 7.915 -4.322 32 HZ PHE 5 HZ PHE 5 55.404 9.056 -6.222 33 H PHE 6 HN PHE 6 52.839 3.131 -7.857 34 HA PHE 6 HA PHE 6 54.408 4.038 -10.145 35 HB2 PHE 6 HB2 PHE 6 54.992 1.592 -10.053 36 HB3 PHE 6 HB1 PHE 6 53.264 1.220 -10.268 37 HD1 PHE 6 HD1 PHE 6 56.274 2.726 -11.852 38 HD2 PHE 6 HD2 PHE 6 52.154 1.567 -12.405 39 HE1 PHE 6 HE1 PHE 6 56.522 3.023 -14.314 40 HE2 PHE 6 HE2 PHE 6 52.402 1.862 -14.867 41 HZ PHE 6 HZ PHE 6 54.601 2.535 -15.825 42 H LYS 7 HN LYS 7 51.512 3.214 -8.492 43 HA LYS 7 HA LYS 7 49.944 4.975 -10.159 44 HB2 LYS 7 HB2 LYS 7 48.334 3.247 -11.002 45 HB3 LYS 7 HB1 LYS 7 49.947 3.134 -11.746 46 HG2 LYS 7 HG2 LYS 7 50.553 1.355 -10.098 47 HG3 LYS 7 HG1 LYS 7 48.898 1.432 -9.443 48 HD2 LYS 7 HD2 LYS 7 47.995 0.853 -11.687 49 HD3 LYS 7 HD1 LYS 7 49.656 0.732 -12.313 50 HE2 LYS 7 HE2 LYS 7 50.103 -1.004 -10.507 51 HE3 LYS 7 HE1 LYS 7 48.357 -0.990 -10.164 52 HZ1 LYS 7 HZ1 LYS 7 48.525 -1.229 -12.886 53 HZ2 LYS 7 HZ2 LYS 7 48.186 -2.480 -11.787 54 HZ3 LYS 7 HZ3 LYS 7 49.779 -2.224 -12.323 55 H LYS 8 HN LYS 8 50.291 2.558 -7.657 56 HA LYS 8 HA LYS 8 47.619 2.840 -6.563 57 HB2 LYS 8 HB2 LYS 8 50.188 1.941 -5.197 58 HB3 LYS 8 HB1 LYS 8 48.527 1.654 -4.624 59 HG2 LYS 8 HG2 LYS 8 48.029 0.337 -6.644 60 HG3 LYS 8 HG1 LYS 8 49.661 0.664 -7.277 61 HD2 LYS 8 HD2 LYS 8 50.639 -0.468 -5.279 62 HD3 LYS 8 HD1 LYS 8 48.994 -0.850 -4.715 63 HE2 LYS 8 HE2 LYS 8 48.565 -2.236 -6.640 64 HE3 LYS 8 HE1 LYS 8 50.053 -1.685 -7.445 65 HZ1 LYS 8 HZ1 LYS 8 50.364 -2.865 -4.796 66 HZ2 LYS 8 HZ2 LYS 8 51.336 -3.020 -6.181 67 HZ3 LYS 8 HZ3 LYS 8 49.906 -3.928 -6.036 68 H ALA 9 HN ALA 9 46.782 4.491 -5.489 69 HA ALA 9 HA ALA 9 48.417 6.779 -4.767 70 HB1 ALA 9 HB1 ALA 9 45.575 6.159 -3.905 71 HB2 ALA 9 HB2 ALA 9 46.005 6.852 -5.487 72 HB3 ALA 9 HB3 ALA 9 46.358 7.754 -3.993 73 H ALA 10 HN ALA 10 49.974 6.191 -3.279 74 HA ALA 10 HA ALA 10 49.298 4.710 -0.866 75 HB1 ALA 10 HB1 ALA 10 51.709 6.363 -1.676 76 HB2 ALA 10 HB2 ALA 10 51.547 4.591 -1.705 77 HB3 ALA 10 HB3 ALA 10 51.599 5.456 -0.150 78 H HIS 11 HN HIS 11 48.779 5.412 1.139 79 HA HIS 11 HA HIS 11 47.669 8.063 1.399 80 HB2 HIS 11 HB2 HIS 11 48.427 6.135 3.627 81 HB3 HIS 11 HB1 HIS 11 47.224 7.445 3.694 82 HD1 HIS 11 HD1 HIS 11 45.294 7.183 1.635 83 HD2 HIS 11 HD2 HIS 11 47.269 3.719 2.970 84 HE1 HIS 11 HE1 HIS 11 43.849 5.181 0.978 85 H ALA 12 HN ALA 12 50.560 6.507 2.869 86 HA ALA 12 HA ALA 12 52.438 7.464 3.837 87 HB1 ALA 12 HB1 ALA 12 53.321 9.507 2.665 88 HB2 ALA 12 HB2 ALA 12 51.824 9.533 1.703 89 HB3 ALA 12 HB3 ALA 12 52.936 8.148 1.583 90 H GLY 13 HN GLY 13 51.330 10.693 3.047 91 HA2 GLY 13 HA1 GLY 13 49.987 11.181 5.565 92 HA3 GLY 13 HA2 GLY 13 51.670 11.741 5.614 93 H LYS 14 HN LYS 14 48.618 11.981 3.775 94 HA LYS 14 HA LYS 14 48.845 14.857 3.605 95 HB2 LYS 14 HB2 LYS 14 50.580 14.137 1.904 96 HB3 LYS 14 HB1 LYS 14 49.260 13.383 0.977 97 HG2 LYS 14 HG2 LYS 14 48.117 15.537 0.767 98 HG3 LYS 14 HG1 LYS 14 49.336 16.318 1.801 99 HD2 LYS 14 HD2 LYS 14 51.094 15.616 0.111 100 HD3 LYS 14 HD1 LYS 14 49.767 15.092 -0.954 101 HE2 LYS 14 HE2 LYS 14 50.396 17.359 -1.580 102 HE3 LYS 14 HE1 LYS 14 48.804 17.420 -0.787 103 HZ1 LYS 14 HZ1 LYS 14 51.244 17.733 0.836 104 HZ2 LYS 14 HZ2 LYS 14 49.682 18.348 1.101 105 HZ3 LYS 14 HZ3 LYS 14 50.685 19.049 -0.077 106 H HIS 15 HN HIS 15 47.596 11.967 1.875 107 HA HIS 15 HA HIS 15 45.087 13.284 1.203 108 HB2 HIS 15 HB2 HIS 15 45.831 10.332 1.223 109 HB3 HIS 15 HB1 HIS 15 44.395 11.043 0.448 110 HD1 HIS 15 HD1 HIS 15 47.195 13.349 0.147 111 HD2 HIS 15 HD2 HIS 15 45.808 10.004 -1.991 112 HE1 HIS 15 HE1 HIS 15 48.336 13.378 -2.139 113 H ALA 16 HN ALA 16 46.342 11.987 4.075 114 HA ALA 16 HA ALA 16 43.820 12.348 5.452 115 HB1 ALA 16 HB1 ALA 16 43.466 10.024 6.163 116 HB2 ALA 16 HB2 ALA 16 44.808 9.494 5.121 117 HB3 ALA 16 HB3 ALA 16 43.332 10.175 4.396 118 H GLY 17 HN GLY 17 46.548 13.268 5.633 119 HA2 GLY 17 HA1 GLY 17 47.761 11.868 7.920 120 HA3 GLY 17 HA2 GLY 17 48.350 13.344 7.128 121 H LYS 18 HN LYS 18 46.088 12.014 9.500 122 HA LYS 18 HA LYS 18 45.076 13.004 11.329 123 HB2 LYS 18 HB2 LYS 18 47.541 13.721 11.655 124 HB3 LYS 18 HB1 LYS 18 47.035 15.312 11.045 125 HG2 LYS 18 HG2 LYS 18 45.212 15.299 12.829 126 HG3 LYS 18 HG1 LYS 18 45.988 13.849 13.505 127 HD2 LYS 18 HD2 LYS 18 48.138 15.148 13.677 128 HD3 LYS 18 HD1 LYS 18 47.249 16.603 13.160 129 HE2 LYS 18 HE2 LYS 18 46.764 14.935 15.664 130 HE3 LYS 18 HE1 LYS 18 47.325 16.622 15.582 131 HZ1 LYS 18 HZ1 LYS 18 44.981 16.558 16.069 132 HZ2 LYS 18 HZ2 LYS 18 44.671 15.594 14.705 133 HZ3 LYS 18 HZ3 LYS 18 45.203 17.196 14.513 134 H ALA 19 HN ALA 19 43.729 13.370 9.023 135 HA ALA 19 HA ALA 19 42.162 14.724 7.980 136 HB1 ALA 19 HB1 ALA 19 40.858 16.134 9.403 137 HB2 ALA 19 HB2 ALA 19 42.203 16.327 10.554 138 HB3 ALA 19 HB3 ALA 19 41.388 14.753 10.390 139 H ALA 20 HN ALA 20 44.977 15.398 7.603 140 HA ALA 20 HA ALA 20 45.152 18.329 7.650 141 HB1 ALA 20 HB1 ALA 20 47.199 17.141 7.905 142 HB2 ALA 20 HB2 ALA 20 47.248 17.853 6.274 143 HB3 ALA 20 HB3 ALA 20 46.874 16.124 6.482 144 H LEU 21 HN LEU 21 45.202 15.889 5.007 145 HA LEU 21 HA LEU 21 44.429 16.013 2.829 146 HB2 LEU 21 HB2 LEU 21 42.622 18.286 3.716 147 HB3 LEU 21 HB1 LEU 21 42.366 17.122 2.395 148 HG LEU 21 HG LEU 21 42.429 16.469 5.377 149 HD11 LEU 21 HD11 LEU 21 40.043 16.019 5.095 150 HD12 LEU 21 HD12 LEU 21 40.150 16.376 3.354 151 HD13 LEU 21 HD13 LEU 21 40.392 17.676 4.546 152 HD21 LEU 21 HD21 LEU 21 42.190 14.751 2.872 153 HD22 LEU 21 HD22 LEU 21 41.551 14.208 4.442 154 HD23 LEU 21 HD23 LEU 21 43.287 14.543 4.259 155 H THR 22 HN THR 22 46.104 18.480 4.313 156 HA THR 22 HA THR 22 47.299 19.415 1.917 157 HB THR 22 HB THR 22 45.336 20.594 1.248 158 HG1 THR 22 HG1 THR 22 47.078 21.961 1.179 159 HG21 THR 22 HG21 THR 22 44.170 22.150 2.924 160 HG22 THR 22 HG22 THR 22 45.095 21.315 4.194 161 HG23 THR 22 HG23 THR 22 43.941 20.406 3.189 162 H HIS 23 HN HIS 23 46.810 19.302 5.233 163 HA HIS 23 HA HIS 23 48.019 20.118 7.036 164 HB2 HIS 23 HB2 HIS 23 49.887 19.101 5.692 165 HB3 HIS 23 HB1 HIS 23 50.175 20.702 4.970 166 HD1 HIS 23 HD1 HIS 23 51.518 22.381 6.299 167 HD2 HIS 23 HD2 HIS 23 50.320 19.070 8.600 168 HE1 HIS 23 HE1 HIS 23 52.683 22.568 8.565 169 H TYR 24 HN TYR 24 46.506 21.863 7.266 170 HA TYR 24 HA TYR 24 45.952 24.100 7.488 171 HB2 TYR 24 HB2 TYR 24 48.977 24.417 7.343 172 HB3 TYR 24 HB1 TYR 24 47.841 25.687 7.853 173 HD1 TYR 24 HD1 TYR 24 46.830 25.655 10.044 174 HD2 TYR 24 HD2 TYR 24 49.160 22.290 8.673 175 HE1 TYR 24 HE1 TYR 24 46.811 24.704 12.348 176 HE2 TYR 24 HE2 TYR 24 49.140 21.339 10.977 177 HH TYR 24 HH TYR 24 47.853 21.454 12.986 178 H LEU 25 HN LEU 25 45.923 26.249 6.434 179 HA LEU 25 HA LEU 25 45.761 25.890 3.551 180 HB2 LEU 25 HB2 LEU 25 44.136 27.307 4.624 181 HB3 LEU 25 HB1 LEU 25 45.403 28.288 5.390 182 HG LEU 25 HG LEU 25 46.078 29.223 3.258 183 HD11 LEU 25 HD11 LEU 25 45.957 27.384 1.741 184 HD12 LEU 25 HD12 LEU 25 44.722 28.524 1.161 185 HD13 LEU 25 HD13 LEU 25 44.238 27.091 2.103 186 HD21 LEU 25 HD21 LEU 25 44.009 30.137 4.372 187 HD22 LEU 25 HD22 LEU 25 43.031 29.099 3.305 188 HD23 LEU 25 HD23 LEU 25 44.039 30.392 2.610 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 62.785 -1.839 -8.317 2 H2 GLY 1 HT2 GLY 1 62.600 -0.335 -9.086 3 H3 GLY 1 HT3 GLY 1 63.244 -1.657 -9.938 4 HA2 GLY 1 HA1 GLY 1 61.000 -1.267 -10.588 5 HA3 GLY 1 HA2 GLY 1 61.183 -2.827 -9.764 6 H TRP 2 HN TRP 2 61.083 -2.463 -7.198 7 HA TRP 2 HA TRP 2 58.341 -1.675 -6.713 8 HB2 TRP 2 HB2 TRP 2 58.911 -2.132 -4.327 9 HB3 TRP 2 HB1 TRP 2 59.395 -3.456 -5.414 10 HD1 TRP 2 HD1 TRP 2 60.850 -0.545 -3.382 11 HE1 TRP 2 HE1 TRP 2 63.398 -0.920 -3.029 12 HE3 TRP 2 HE3 TRP 2 61.479 -4.658 -6.365 13 HZ2 TRP 2 HZ2 TRP 2 65.410 -2.771 -3.937 14 HZ3 TRP 2 HZ3 TRP 2 63.722 -5.712 -6.607 15 HH2 TRP 2 HH2 TRP 2 65.687 -4.773 -5.396 16 H GLY 3 HN GLY 3 61.215 0.097 -7.004 17 HA2 GLY 3 HA1 GLY 3 61.066 2.053 -5.007 18 HA3 GLY 3 HA2 GLY 3 61.640 2.347 -6.660 19 H SER 4 HN SER 4 58.924 1.510 -7.709 20 HA SER 4 HA SER 4 57.070 2.691 -8.461 21 HB2 SER 4 HB2 SER 4 55.584 3.511 -6.739 22 HB3 SER 4 HB1 SER 4 56.388 2.052 -6.121 23 HG SER 4 HG SER 4 56.404 3.806 -4.619 24 H PHE 5 HN PHE 5 55.890 5.060 -7.950 25 HA PHE 5 HA PHE 5 57.830 7.228 -7.715 26 HB2 PHE 5 HB2 PHE 5 58.323 6.387 -10.019 27 HB3 PHE 5 HB1 PHE 5 56.627 6.697 -10.461 28 HD1 PHE 5 HD1 PHE 5 59.894 8.220 -9.675 29 HD2 PHE 5 HD2 PHE 5 55.739 9.007 -10.543 30 HE1 PHE 5 HE1 PHE 5 60.439 10.612 -10.111 31 HE2 PHE 5 HE2 PHE 5 56.285 11.399 -10.980 32 HZ PHE 5 HZ PHE 5 58.634 12.201 -10.766 33 H PHE 6 HN PHE 6 54.772 6.505 -9.471 34 HA PHE 6 HA PHE 6 53.580 9.022 -8.624 35 HB2 PHE 6 HB2 PHE 6 52.241 6.536 -9.763 36 HB3 PHE 6 HB1 PHE 6 51.565 8.184 -9.715 37 HD1 PHE 6 HD1 PHE 6 52.402 9.941 -11.200 38 HD2 PHE 6 HD2 PHE 6 54.091 5.970 -11.287 39 HE1 PHE 6 HE1 PHE 6 53.540 10.473 -13.352 40 HE2 PHE 6 HE2 PHE 6 55.229 6.502 -13.439 41 HZ PHE 6 HZ PHE 6 55.013 8.776 -14.432 42 H LYS 7 HN LYS 7 52.412 9.492 -6.869 43 HA LYS 7 HA LYS 7 52.320 7.619 -4.675 44 HB2 LYS 7 HB2 LYS 7 52.416 10.059 -4.342 45 HB3 LYS 7 HB1 LYS 7 50.814 10.230 -5.100 46 HG2 LYS 7 HG2 LYS 7 49.732 9.035 -3.329 47 HG3 LYS 7 HG1 LYS 7 51.281 8.452 -2.674 48 HD2 LYS 7 HD2 LYS 7 50.312 10.342 -1.340 49 HD3 LYS 7 HD1 LYS 7 51.912 10.722 -2.018 50 HE2 LYS 7 HE2 LYS 7 49.380 11.459 -3.527 51 HE3 LYS 7 HE1 LYS 7 50.017 12.510 -2.239 52 HZ1 LYS 7 HZ1 LYS 7 50.943 12.193 -4.898 53 HZ2 LYS 7 HZ2 LYS 7 52.185 11.798 -3.808 54 HZ3 LYS 7 HZ3 LYS 7 51.427 13.317 -3.724 55 H LYS 8 HN LYS 8 50.979 5.986 -4.352 56 HA LYS 8 HA LYS 8 48.677 5.554 -6.055 57 HB2 LYS 8 HB2 LYS 8 50.109 3.781 -4.907 58 HB3 LYS 8 HB1 LYS 8 49.263 4.198 -3.397 59 HG2 LYS 8 HG2 LYS 8 47.069 3.804 -4.712 60 HG3 LYS 8 HG1 LYS 8 48.088 3.046 -5.959 61 HD2 LYS 8 HD2 LYS 8 48.009 2.216 -3.022 62 HD3 LYS 8 HD1 LYS 8 47.163 1.377 -4.342 63 HE2 LYS 8 HE2 LYS 8 49.483 1.186 -5.476 64 HE3 LYS 8 HE1 LYS 8 50.156 1.647 -3.894 65 HZ1 LYS 8 HZ1 LYS 8 49.525 -0.869 -4.637 66 HZ2 LYS 8 HZ2 LYS 8 48.137 -0.414 -3.770 67 HZ3 LYS 8 HZ3 LYS 8 49.666 -0.340 -3.032 68 H ALA 9 HN ALA 9 46.910 6.789 -5.944 69 HA ALA 9 HA ALA 9 46.129 8.343 -3.702 70 HB1 ALA 9 HB1 ALA 9 44.430 7.182 -5.937 71 HB2 ALA 9 HB2 ALA 9 45.285 8.744 -5.959 72 HB3 ALA 9 HB3 ALA 9 43.930 8.485 -4.833 73 H ALA 10 HN ALA 10 45.460 7.757 -1.756 74 HA ALA 10 HA ALA 10 43.350 5.808 -1.401 75 HB1 ALA 10 HB1 ALA 10 46.123 4.990 -0.467 76 HB2 ALA 10 HB2 ALA 10 45.236 4.258 -1.826 77 HB3 ALA 10 HB3 ALA 10 44.604 4.112 -0.169 78 H HIS 11 HN HIS 11 44.893 8.502 -0.605 79 HA HIS 11 HA HIS 11 44.983 8.334 2.298 80 HB2 HIS 11 HB2 HIS 11 45.089 10.871 2.102 81 HB3 HIS 11 HB1 HIS 11 46.357 9.983 1.226 82 HD1 HIS 11 HD1 HIS 11 42.840 11.385 0.515 83 HD2 HIS 11 HD2 HIS 11 46.486 10.659 -1.449 84 HE1 HIS 11 HE1 HIS 11 42.634 12.332 -1.848 85 H ALA 12 HN ALA 12 43.629 9.606 3.757 86 HA ALA 12 HA ALA 12 41.023 10.528 2.846 87 HB1 ALA 12 HB1 ALA 12 40.614 8.114 2.711 88 HB2 ALA 12 HB2 ALA 12 39.680 8.837 4.044 89 HB3 ALA 12 HB3 ALA 12 41.163 7.916 4.392 90 H GLY 13 HN GLY 13 43.206 11.609 4.324 91 HA2 GLY 13 HA1 GLY 13 43.626 12.754 6.289 92 HA3 GLY 13 HA2 GLY 13 41.862 12.875 6.436 93 H LYS 14 HN LYS 14 44.366 10.315 6.763 94 HA LYS 14 HA LYS 14 43.830 9.961 9.584 95 HB2 LYS 14 HB2 LYS 14 41.734 8.974 8.608 96 HB3 LYS 14 HB1 LYS 14 42.747 7.780 7.760 97 HG2 LYS 14 HG2 LYS 14 43.624 6.948 9.888 98 HG3 LYS 14 HG1 LYS 14 42.738 8.208 10.780 99 HD2 LYS 14 HD2 LYS 14 40.595 7.276 10.072 100 HD3 LYS 14 HD1 LYS 14 41.418 6.089 9.031 101 HE2 LYS 14 HE2 LYS 14 40.703 5.098 11.212 102 HE3 LYS 14 HE1 LYS 14 42.469 5.049 10.994 103 HZ1 LYS 14 HZ1 LYS 14 41.412 7.445 12.262 104 HZ2 LYS 14 HZ2 LYS 14 42.797 6.533 12.634 105 HZ3 LYS 14 HZ3 LYS 14 41.268 6.019 13.169 106 H HIS 15 HN HIS 15 44.659 8.024 6.666 107 HA HIS 15 HA HIS 15 46.648 6.435 7.931 108 HB2 HIS 15 HB2 HIS 15 46.537 7.368 5.034 109 HB3 HIS 15 HB1 HIS 15 47.462 5.980 5.657 110 HD1 HIS 15 HD1 HIS 15 46.190 3.821 6.237 111 HD2 HIS 15 HD2 HIS 15 43.713 6.947 4.907 112 HE1 HIS 15 HE1 HIS 15 43.864 2.836 5.848 113 H ALA 16 HN ALA 16 47.349 9.030 5.552 114 HA ALA 16 HA ALA 16 50.060 9.331 6.179 115 HB1 ALA 16 HB1 ALA 16 48.763 10.402 4.287 116 HB2 ALA 16 HB2 ALA 16 49.947 11.460 5.091 117 HB3 ALA 16 HB3 ALA 16 48.212 11.625 5.456 118 H GLY 17 HN GLY 17 47.364 11.358 7.442 119 HA2 GLY 17 HA1 GLY 17 47.196 12.544 9.419 120 HA3 GLY 17 HA2 GLY 17 48.310 11.356 10.124 121 H LYS 18 HN LYS 18 49.506 12.978 7.348 122 HA LYS 18 HA LYS 18 50.686 15.230 8.856 123 HB2 LYS 18 HB2 LYS 18 53.006 14.577 8.440 124 HB3 LYS 18 HB1 LYS 18 52.194 13.327 9.414 125 HG2 LYS 18 HG2 LYS 18 51.719 12.088 7.240 126 HG3 LYS 18 HG1 LYS 18 52.792 13.253 6.426 127 HD2 LYS 18 HD2 LYS 18 54.608 12.631 8.057 128 HD3 LYS 18 HD1 LYS 18 53.538 11.361 8.697 129 HE2 LYS 18 HE2 LYS 18 53.409 10.332 6.445 130 HE3 LYS 18 HE1 LYS 18 54.479 11.602 5.804 131 HZ1 LYS 18 HZ1 LYS 18 55.105 9.341 7.559 132 HZ2 LYS 18 HZ2 LYS 18 55.963 10.785 7.810 133 HZ3 LYS 18 HZ3 LYS 18 56.011 10.018 6.294 134 H ALA 19 HN ALA 19 49.116 14.228 6.300 135 HA ALA 19 HA ALA 19 50.088 16.405 4.615 136 HB1 ALA 19 HB1 ALA 19 50.606 14.947 2.653 137 HB2 ALA 19 HB2 ALA 19 50.506 13.530 3.726 138 HB3 ALA 19 HB3 ALA 19 51.762 14.763 3.992 139 H ALA 20 HN ALA 20 48.115 13.487 5.040 140 HA ALA 20 HA ALA 20 46.234 14.158 2.932 141 HB1 ALA 20 HB1 ALA 20 44.840 12.409 3.946 142 HB2 ALA 20 HB2 ALA 20 45.904 12.380 5.374 143 HB3 ALA 20 HB3 ALA 20 46.526 11.863 3.788 144 H LEU 21 HN LEU 21 45.841 14.123 6.510 145 HA LEU 21 HA LEU 21 43.427 15.653 6.474 146 HB2 LEU 21 HB2 LEU 21 44.676 14.241 8.374 147 HB3 LEU 21 HB1 LEU 21 45.351 15.824 8.808 148 HG LEU 21 HG LEU 21 42.397 15.075 8.631 149 HD11 LEU 21 HD11 LEU 21 42.394 15.438 11.026 150 HD12 LEU 21 HD12 LEU 21 44.064 16.054 10.987 151 HD13 LEU 21 HD13 LEU 21 43.741 14.336 10.651 152 HD21 LEU 21 HD21 LEU 21 43.805 17.752 8.988 153 HD22 LEU 21 HD22 LEU 21 42.158 17.476 9.609 154 HD23 LEU 21 HD23 LEU 21 42.488 17.329 7.869 155 H THR 22 HN THR 22 46.834 16.607 7.068 156 HA THR 22 HA THR 22 46.363 19.388 7.419 157 HB THR 22 HB THR 22 48.798 18.109 6.096 158 HG1 THR 22 HG1 THR 22 49.570 18.051 8.255 159 HG21 THR 22 HG21 THR 22 48.348 20.718 7.603 160 HG22 THR 22 HG22 THR 22 48.771 20.534 5.883 161 HG23 THR 22 HG23 THR 22 49.946 20.087 7.143 162 H HIS 23 HN HIS 23 46.341 17.370 4.575 163 HA HIS 23 HA HIS 23 45.902 17.845 2.356 164 HB2 HIS 23 HB2 HIS 23 43.945 19.044 3.414 165 HB3 HIS 23 HB1 HIS 23 44.900 20.544 3.342 166 HD1 HIS 23 HD1 HIS 23 45.163 21.716 1.092 167 HD2 HIS 23 HD2 HIS 23 43.192 18.009 0.823 168 HE1 HIS 23 HE1 HIS 23 44.250 21.508 -1.285 169 H TYR 24 HN TYR 24 47.104 18.464 0.657 170 HA TYR 24 HA TYR 24 48.487 21.002 0.549 171 HB2 TYR 24 HB2 TYR 24 49.866 19.721 2.268 172 HB3 TYR 24 HB1 TYR 24 50.291 18.588 0.963 173 HD1 TYR 24 HD1 TYR 24 51.894 19.187 -0.736 174 HD2 TYR 24 HD2 TYR 24 50.481 22.154 2.061 175 HE1 TYR 24 HE1 TYR 24 53.660 20.762 -1.514 176 HE2 TYR 24 HE2 TYR 24 52.247 23.729 1.283 177 HH TYR 24 HH TYR 24 54.424 23.608 0.321 178 H LEU 25 HN LEU 25 49.168 17.606 -0.444 179 HA LEU 25 HA LEU 25 49.430 16.698 -2.562 180 HB2 LEU 25 HB2 LEU 25 47.627 18.918 -3.583 181 HB3 LEU 25 HB1 LEU 25 47.809 17.264 -4.211 182 HG LEU 25 HG LEU 25 46.631 18.030 -1.502 183 HD11 LEU 25 HD11 LEU 25 44.518 17.203 -2.484 184 HD12 LEU 25 HD12 LEU 25 45.354 16.881 -4.023 185 HD13 LEU 25 HD13 LEU 25 45.173 18.554 -3.440 186 HD21 LEU 25 HD21 LEU 25 47.201 15.358 -2.851 187 HD22 LEU 25 HD22 LEU 25 45.973 15.522 -1.573 188 HD23 LEU 25 HD23 LEU 25 47.675 15.895 -1.221 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 58.580 0.324 -12.060 2 H2 GLY 1 HT2 GLY 1 58.717 0.845 -10.448 3 H3 GLY 1 HT3 GLY 1 60.110 0.617 -11.396 4 HA2 GLY 1 HA1 GLY 1 58.847 2.328 -12.918 5 HA3 GLY 1 HA2 GLY 1 58.223 2.799 -11.325 6 H TRP 2 HN TRP 2 59.260 4.661 -10.908 7 HA TRP 2 HA TRP 2 62.077 5.035 -11.579 8 HB2 TRP 2 HB2 TRP 2 60.252 6.668 -9.769 9 HB3 TRP 2 HB1 TRP 2 61.822 7.187 -10.429 10 HD1 TRP 2 HD1 TRP 2 61.927 7.892 -12.948 11 HE1 TRP 2 HE1 TRP 2 60.134 8.387 -14.765 12 HE3 TRP 2 HE3 TRP 2 57.829 5.922 -10.596 13 HZ2 TRP 2 HZ2 TRP 2 57.307 7.970 -15.119 14 HZ3 TRP 2 HZ3 TRP 2 55.595 5.982 -11.692 15 HH2 TRP 2 HH2 TRP 2 55.329 7.003 -13.950 16 H GLY 3 HN GLY 3 60.202 4.200 -8.682 17 HA2 GLY 3 HA1 GLY 3 62.443 2.919 -7.440 18 HA3 GLY 3 HA2 GLY 3 62.236 4.539 -6.745 19 H SER 4 HN SER 4 59.404 2.974 -7.965 20 HA SER 4 HA SER 4 58.708 1.570 -5.515 21 HB2 SER 4 HB2 SER 4 58.479 3.950 -4.763 22 HB3 SER 4 HB1 SER 4 57.279 4.205 -6.048 23 HG SER 4 HG SER 4 55.860 3.131 -4.907 24 H PHE 5 HN PHE 5 56.923 0.280 -5.773 25 HA PHE 5 HA PHE 5 54.980 0.744 -7.883 26 HB2 PHE 5 HB2 PHE 5 56.865 -0.002 -9.289 27 HB3 PHE 5 HB1 PHE 5 57.021 -1.477 -8.304 28 HD1 PHE 5 HD1 PHE 5 55.720 -3.397 -8.832 29 HD2 PHE 5 HD2 PHE 5 54.555 0.459 -10.388 30 HE1 PHE 5 HE1 PHE 5 53.958 -4.487 -10.217 31 HE2 PHE 5 HE2 PHE 5 52.795 -0.632 -11.772 32 HZ PHE 5 HZ PHE 5 52.438 -3.093 -11.615 33 H PHE 6 HN PHE 6 53.582 0.454 -6.109 34 HA PHE 6 HA PHE 6 52.906 -2.375 -5.634 35 HB2 PHE 6 HB2 PHE 6 53.749 -0.573 -3.326 36 HB3 PHE 6 HB1 PHE 6 53.003 -2.181 -3.166 37 HD1 PHE 6 HD1 PHE 6 54.192 -4.203 -4.148 38 HD2 PHE 6 HD2 PHE 6 56.097 -0.348 -3.772 39 HE1 PHE 6 HE1 PHE 6 56.424 -5.281 -4.401 40 HE2 PHE 6 HE2 PHE 6 58.329 -1.427 -4.024 41 HZ PHE 6 HZ PHE 6 58.494 -3.896 -4.308 42 H LYS 7 HN LYS 7 51.202 -2.092 -3.496 43 HA LYS 7 HA LYS 7 48.894 -0.965 -4.735 44 HB2 LYS 7 HB2 LYS 7 47.799 -1.325 -2.564 45 HB3 LYS 7 HB1 LYS 7 48.816 -2.722 -2.994 46 HG2 LYS 7 HG2 LYS 7 50.680 -1.579 -1.609 47 HG3 LYS 7 HG1 LYS 7 49.400 -0.513 -0.981 48 HD2 LYS 7 HD2 LYS 7 49.388 -3.562 -0.832 49 HD3 LYS 7 HD1 LYS 7 49.790 -2.468 0.512 50 HE2 LYS 7 HE2 LYS 7 47.464 -1.396 0.100 51 HE3 LYS 7 HE1 LYS 7 47.116 -2.840 -0.882 52 HZ1 LYS 7 HZ1 LYS 7 47.811 -4.177 1.093 53 HZ2 LYS 7 HZ2 LYS 7 46.388 -3.275 1.315 54 HZ3 LYS 7 HZ3 LYS 7 47.850 -2.741 1.997 55 H LYS 8 HN LYS 8 47.696 0.897 -4.348 56 HA LYS 8 HA LYS 8 49.185 3.290 -3.960 57 HB2 LYS 8 HB2 LYS 8 46.204 2.724 -3.752 58 HB3 LYS 8 HB1 LYS 8 46.907 4.359 -3.717 59 HG2 LYS 8 HG2 LYS 8 47.992 3.902 -5.928 60 HG3 LYS 8 HG1 LYS 8 47.172 2.321 -5.970 61 HD2 LYS 8 HD2 LYS 8 44.970 3.485 -5.800 62 HD3 LYS 8 HD1 LYS 8 45.817 5.050 -5.846 63 HE2 LYS 8 HE2 LYS 8 46.073 2.929 -8.017 64 HE3 LYS 8 HE1 LYS 8 44.921 4.283 -8.090 65 HZ1 LYS 8 HZ1 LYS 8 46.883 5.778 -7.757 66 HZ2 LYS 8 HZ2 LYS 8 46.868 4.945 -9.238 67 HZ3 LYS 8 HZ3 LYS 8 47.888 4.431 -7.981 68 H ALA 9 HN ALA 9 46.364 3.215 -1.954 69 HA ALA 9 HA ALA 9 47.673 2.631 0.556 70 HB1 ALA 9 HB1 ALA 9 47.138 5.574 0.049 71 HB2 ALA 9 HB2 ALA 9 48.752 4.832 -0.082 72 HB3 ALA 9 HB3 ALA 9 47.893 4.831 1.479 73 H ALA 10 HN ALA 10 45.103 4.213 -1.278 74 HA ALA 10 HA ALA 10 42.830 4.387 -0.871 75 HB1 ALA 10 HB1 ALA 10 41.751 2.518 0.187 76 HB2 ALA 10 HB2 ALA 10 43.247 2.065 1.038 77 HB3 ALA 10 HB3 ALA 10 43.141 1.890 -0.730 78 H HIS 11 HN HIS 11 42.840 6.400 0.120 79 HA HIS 11 HA HIS 11 42.520 7.909 1.851 80 HB2 HIS 11 HB2 HIS 11 41.448 5.560 3.450 81 HB3 HIS 11 HB1 HIS 11 40.984 7.275 3.562 82 HD1 HIS 11 HD1 HIS 11 38.887 5.009 2.955 83 HD2 HIS 11 HD2 HIS 11 40.791 7.398 0.065 84 HE1 HIS 11 HE1 HIS 11 37.430 4.972 0.857 85 H ALA 12 HN ALA 12 42.791 8.119 4.422 86 HA ALA 12 HA ALA 12 44.399 8.312 6.080 87 HB1 ALA 12 HB1 ALA 12 43.699 5.885 6.287 88 HB2 ALA 12 HB2 ALA 12 45.314 6.272 6.927 89 HB3 ALA 12 HB3 ALA 12 45.151 5.467 5.348 90 H GLY 13 HN GLY 13 45.914 9.764 5.528 91 HA2 GLY 13 HA1 GLY 13 48.057 10.465 4.968 92 HA3 GLY 13 HA2 GLY 13 48.500 8.777 4.647 93 H LYS 14 HN LYS 14 45.799 10.513 3.150 94 HA LYS 14 HA LYS 14 47.275 11.159 0.724 95 HB2 LYS 14 HB2 LYS 14 47.105 8.696 0.460 96 HB3 LYS 14 HB1 LYS 14 45.335 8.814 0.615 97 HG2 LYS 14 HG2 LYS 14 45.175 10.154 -1.397 98 HG3 LYS 14 HG1 LYS 14 46.946 10.313 -1.493 99 HD2 LYS 14 HD2 LYS 14 47.119 7.830 -1.764 100 HD3 LYS 14 HD1 LYS 14 45.341 7.736 -1.777 101 HE2 LYS 14 HE2 LYS 14 45.257 9.195 -3.762 102 HE3 LYS 14 HE1 LYS 14 47.029 9.352 -3.738 103 HZ1 LYS 14 HZ1 LYS 14 47.315 7.257 -4.511 104 HZ2 LYS 14 HZ2 LYS 14 45.780 7.535 -5.186 105 HZ3 LYS 14 HZ3 LYS 14 45.929 6.643 -3.747 106 H HIS 15 HN HIS 15 43.948 9.923 1.232 107 HA HIS 15 HA HIS 15 42.826 12.285 -0.066 108 HB2 HIS 15 HB2 HIS 15 41.818 9.995 -0.199 109 HB3 HIS 15 HB1 HIS 15 41.414 10.113 1.530 110 HD1 HIS 15 HD1 HIS 15 38.987 10.639 1.743 111 HD2 HIS 15 HD2 HIS 15 40.768 12.706 -1.457 112 HE1 HIS 15 HE1 HIS 15 37.210 12.182 0.749 113 H ALA 16 HN ALA 16 43.734 11.432 3.157 114 HA ALA 16 HA ALA 16 42.857 14.062 4.126 115 HB1 ALA 16 HB1 ALA 16 41.364 13.298 5.841 116 HB2 ALA 16 HB2 ALA 16 41.696 11.593 5.454 117 HB3 ALA 16 HB3 ALA 16 40.795 12.609 4.303 118 H GLY 17 HN GLY 17 45.388 13.268 3.872 119 HA2 GLY 17 HA1 GLY 17 46.377 11.861 6.218 120 HA3 GLY 17 HA2 GLY 17 47.342 12.733 5.011 121 H LYS 18 HN LYS 18 44.991 13.368 7.642 122 HA LYS 18 HA LYS 18 45.057 14.889 9.375 123 HB2 LYS 18 HB2 LYS 18 47.508 14.056 9.489 124 HB3 LYS 18 HB1 LYS 18 47.932 15.578 8.674 125 HG2 LYS 18 HG2 LYS 18 46.807 16.859 10.476 126 HG3 LYS 18 HG1 LYS 18 46.397 15.336 11.300 127 HD2 LYS 18 HD2 LYS 18 48.857 14.794 11.392 128 HD3 LYS 18 HD1 LYS 18 49.192 16.412 10.730 129 HE2 LYS 18 HE2 LYS 18 49.365 16.432 13.193 130 HE3 LYS 18 HE1 LYS 18 47.998 17.436 12.656 131 HZ1 LYS 18 HZ1 LYS 18 47.777 15.578 14.531 132 HZ2 LYS 18 HZ2 LYS 18 47.432 14.619 13.171 133 HZ3 LYS 18 HZ3 LYS 18 46.496 15.999 13.503 134 H ALA 19 HN ALA 19 45.862 15.753 6.140 135 HA ALA 19 HA ALA 19 44.425 18.240 6.353 136 HB1 ALA 19 HB1 ALA 19 46.400 19.085 7.456 137 HB2 ALA 19 HB2 ALA 19 46.354 19.750 5.804 138 HB3 ALA 19 HB3 ALA 19 47.454 18.404 6.194 139 H ALA 20 HN ALA 20 44.795 15.716 4.754 140 HA ALA 20 HA ALA 20 44.727 15.090 2.523 141 HB1 ALA 20 HB1 ALA 20 42.915 16.842 2.582 142 HB2 ALA 20 HB2 ALA 20 43.673 16.611 0.987 143 HB3 ALA 20 HB3 ALA 20 44.115 18.014 1.990 144 H LEU 21 HN LEU 21 47.267 15.440 3.429 145 HA LEU 21 HA LEU 21 49.434 15.841 2.725 146 HB2 LEU 21 HB2 LEU 21 48.270 14.538 0.735 147 HB3 LEU 21 HB1 LEU 21 48.436 16.078 -0.132 148 HG LEU 21 HG LEU 21 50.690 14.479 1.172 149 HD11 LEU 21 HD11 LEU 21 50.167 15.137 -1.758 150 HD12 LEU 21 HD12 LEU 21 49.711 13.598 -0.989 151 HD13 LEU 21 HD13 LEU 21 51.425 14.062 -1.104 152 HD21 LEU 21 HD21 LEU 21 52.099 16.241 -0.126 153 HD22 LEU 21 HD22 LEU 21 51.324 16.769 1.384 154 HD23 LEU 21 HD23 LEU 21 50.604 17.205 -0.185 155 H THR 22 HN THR 22 49.565 17.882 3.749 156 HA THR 22 HA THR 22 50.217 20.038 1.918 157 HB THR 22 HB THR 22 47.810 20.527 3.723 158 HG1 THR 22 HG1 THR 22 47.197 19.227 2.003 159 HG21 THR 22 HG21 THR 22 49.173 22.512 3.336 160 HG22 THR 22 HG22 THR 22 47.689 22.632 2.361 161 HG23 THR 22 HG23 THR 22 49.226 22.176 1.588 162 H HIS 23 HN HIS 23 49.028 19.481 5.267 163 HA HIS 23 HA HIS 23 49.913 20.174 7.297 164 HB2 HIS 23 HB2 HIS 23 51.637 18.492 6.501 165 HB3 HIS 23 HB1 HIS 23 52.603 19.866 5.912 166 HD1 HIS 23 HD1 HIS 23 53.997 21.142 7.592 167 HD2 HIS 23 HD2 HIS 23 51.259 18.516 9.406 168 HE1 HIS 23 HE1 HIS 23 54.495 21.134 10.098 169 H TYR 24 HN TYR 24 48.960 22.325 6.674 170 HA TYR 24 HA TYR 24 50.503 24.439 5.591 171 HB2 TYR 24 HB2 TYR 24 48.949 25.932 6.857 172 HB3 TYR 24 HB1 TYR 24 48.101 24.643 5.968 173 HD1 TYR 24 HD1 TYR 24 49.136 25.868 9.309 174 HD2 TYR 24 HD2 TYR 24 47.055 22.766 7.148 175 HE1 TYR 24 HE1 TYR 24 48.123 25.064 11.439 176 HE2 TYR 24 HE2 TYR 24 46.042 21.962 9.278 177 HH TYR 24 HH TYR 24 46.051 22.152 11.503 178 H LEU 25 HN LEU 25 51.955 25.890 6.380 179 HA LEU 25 HA LEU 25 53.437 25.096 8.757 180 HB2 LEU 25 HB2 LEU 25 53.707 27.756 7.319 181 HB3 LEU 25 HB1 LEU 25 54.956 26.820 8.174 182 HG LEU 25 HG LEU 25 53.582 26.065 5.557 183 HD11 LEU 25 HD11 LEU 25 55.841 26.324 4.615 184 HD12 LEU 25 HD12 LEU 25 56.485 26.730 6.224 185 HD13 LEU 25 HD13 LEU 25 55.341 27.831 5.418 186 HD21 LEU 25 HD21 LEU 25 53.953 24.006 6.728 187 HD22 LEU 25 HD22 LEU 25 55.520 24.561 7.365 188 HD23 LEU 25 HD23 LEU 25 55.344 24.178 5.636 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 59.799 6.871 -6.855 2 H2 GLY 1 HT2 GLY 1 58.906 5.533 -7.404 3 H3 GLY 1 HT3 GLY 1 58.460 7.107 -7.864 4 HA2 GLY 1 HA1 GLY 1 60.096 7.328 -9.358 5 HA3 GLY 1 HA2 GLY 1 61.142 6.190 -8.488 6 H TRP 2 HN TRP 2 60.987 5.936 -11.168 7 HA TRP 2 HA TRP 2 58.894 4.297 -12.181 8 HB2 TRP 2 HB2 TRP 2 61.844 4.350 -12.935 9 HB3 TRP 2 HB1 TRP 2 60.543 3.624 -13.908 10 HD1 TRP 2 HD1 TRP 2 61.749 7.029 -12.582 11 HE1 TRP 2 HE1 TRP 2 60.767 8.926 -14.064 12 HE3 TRP 2 HE3 TRP 2 58.678 4.218 -15.560 13 HZ2 TRP 2 HZ2 TRP 2 58.898 9.158 -16.243 14 HZ3 TRP 2 HZ3 TRP 2 57.304 5.297 -17.333 15 HH2 TRP 2 HH2 TRP 2 57.411 7.762 -17.677 16 H GLY 3 HN GLY 3 61.635 3.573 -10.118 17 HA2 GLY 3 HA1 GLY 3 61.685 0.732 -10.586 18 HA3 GLY 3 HA2 GLY 3 62.367 1.583 -9.186 19 H SER 4 HN SER 4 60.374 2.644 -7.836 20 HA SER 4 HA SER 4 59.207 0.501 -6.440 21 HB2 SER 4 HB2 SER 4 59.383 2.951 -5.737 22 HB3 SER 4 HB1 SER 4 57.926 3.242 -6.712 23 HG SER 4 HG SER 4 58.147 1.275 -4.663 24 H PHE 5 HN PHE 5 57.256 -0.558 -6.454 25 HA PHE 5 HA PHE 5 56.016 -0.939 -9.015 26 HB2 PHE 5 HB2 PHE 5 54.787 -1.602 -6.317 27 HB3 PHE 5 HB1 PHE 5 54.518 -2.418 -7.877 28 HD1 PHE 5 HD1 PHE 5 56.964 -1.830 -5.132 29 HD2 PHE 5 HD2 PHE 5 56.117 -4.021 -8.754 30 HE1 PHE 5 HE1 PHE 5 58.880 -3.351 -4.660 31 HE2 PHE 5 HE2 PHE 5 58.034 -5.542 -8.282 32 HZ PHE 5 HZ PHE 5 59.452 -5.168 -6.266 33 H PHE 6 HN PHE 6 54.375 0.194 -6.030 34 HA PHE 6 HA PHE 6 53.231 2.510 -7.443 35 HB2 PHE 6 HB2 PHE 6 51.491 0.144 -6.638 36 HB3 PHE 6 HB1 PHE 6 50.866 1.763 -7.032 37 HD1 PHE 6 HD1 PHE 6 51.417 2.768 -9.325 38 HD2 PHE 6 HD2 PHE 6 52.046 -1.398 -8.380 39 HE1 PHE 6 HE1 PHE 6 51.504 2.228 -11.755 40 HE2 PHE 6 HE2 PHE 6 52.132 -1.935 -10.811 41 HZ PHE 6 HZ PHE 6 51.833 -0.127 -12.498 42 H LYS 7 HN LYS 7 51.990 3.889 -6.041 43 HA LYS 7 HA LYS 7 53.121 4.170 -3.459 44 HB2 LYS 7 HB2 LYS 7 50.414 5.161 -4.437 45 HB3 LYS 7 HB1 LYS 7 51.334 5.804 -3.053 46 HG2 LYS 7 HG2 LYS 7 53.251 6.245 -4.693 47 HG3 LYS 7 HG1 LYS 7 52.098 5.890 -5.999 48 HD2 LYS 7 HD2 LYS 7 51.829 8.068 -3.880 49 HD3 LYS 7 HD1 LYS 7 52.173 8.310 -5.608 50 HE2 LYS 7 HE2 LYS 7 49.601 7.373 -4.297 51 HE3 LYS 7 HE1 LYS 7 49.843 8.704 -5.452 52 HZ1 LYS 7 HZ1 LYS 7 49.603 5.831 -5.937 53 HZ2 LYS 7 HZ2 LYS 7 50.696 6.684 -6.919 54 HZ3 LYS 7 HZ3 LYS 7 49.060 7.140 -6.867 55 H LYS 8 HN LYS 8 49.681 3.351 -4.116 56 HA LYS 8 HA LYS 8 48.185 2.104 -2.852 57 HB2 LYS 8 HB2 LYS 8 49.680 0.279 -3.662 58 HB3 LYS 8 HB1 LYS 8 50.660 0.460 -2.186 59 HG2 LYS 8 HG2 LYS 8 48.770 -0.139 -0.781 60 HG3 LYS 8 HG1 LYS 8 47.669 -0.130 -2.180 61 HD2 LYS 8 HD2 LYS 8 48.903 -2.007 -3.192 62 HD3 LYS 8 HD1 LYS 8 50.057 -1.998 -1.837 63 HE2 LYS 8 HE2 LYS 8 48.295 -2.581 -0.258 64 HE3 LYS 8 HE1 LYS 8 47.054 -2.424 -1.524 65 HZ1 LYS 8 HZ1 LYS 8 49.236 -4.219 -2.169 66 HZ2 LYS 8 HZ2 LYS 8 47.562 -4.420 -2.375 67 HZ3 LYS 8 HZ3 LYS 8 48.278 -4.726 -0.865 68 H ALA 9 HN ALA 9 47.539 3.524 -1.278 69 HA ALA 9 HA ALA 9 48.379 2.877 1.433 70 HB1 ALA 9 HB1 ALA 9 50.252 4.307 0.949 71 HB2 ALA 9 HB2 ALA 9 49.124 5.223 1.977 72 HB3 ALA 9 HB3 ALA 9 49.194 5.540 0.227 73 H ALA 10 HN ALA 10 46.555 2.936 2.549 74 HA ALA 10 HA ALA 10 44.150 4.105 1.564 75 HB1 ALA 10 HB1 ALA 10 44.327 2.287 3.279 76 HB2 ALA 10 HB2 ALA 10 43.222 3.604 3.738 77 HB3 ALA 10 HB3 ALA 10 44.847 3.511 4.459 78 H HIS 11 HN HIS 11 42.843 5.687 3.044 79 HA HIS 11 HA HIS 11 44.067 8.251 2.778 80 HB2 HIS 11 HB2 HIS 11 42.133 9.049 4.156 81 HB3 HIS 11 HB1 HIS 11 41.649 7.998 2.803 82 HD1 HIS 11 HD1 HIS 11 41.682 8.246 6.533 83 HD2 HIS 11 HD2 HIS 11 40.849 5.336 3.613 84 HE1 HIS 11 HE1 HIS 11 40.509 6.304 7.707 85 H ALA 12 HN ALA 12 43.323 6.360 5.749 86 HA ALA 12 HA ALA 12 44.208 6.543 7.887 87 HB1 ALA 12 HB1 ALA 12 46.664 6.725 8.008 88 HB2 ALA 12 HB2 ALA 12 46.707 7.246 6.307 89 HB3 ALA 12 HB3 ALA 12 46.157 5.605 6.723 90 H GLY 13 HN GLY 13 42.906 8.890 6.814 91 HA2 GLY 13 HA1 GLY 13 43.762 10.788 8.811 92 HA3 GLY 13 HA2 GLY 13 44.287 11.301 7.196 93 H LYS 14 HN LYS 14 42.649 11.524 5.511 94 HA LYS 14 HA LYS 14 39.837 11.570 6.279 95 HB2 LYS 14 HB2 LYS 14 40.579 13.623 7.428 96 HB3 LYS 14 HB1 LYS 14 41.267 14.234 5.904 97 HG2 LYS 14 HG2 LYS 14 39.094 14.343 4.864 98 HG3 LYS 14 HG1 LYS 14 38.339 13.453 6.210 99 HD2 LYS 14 HD2 LYS 14 38.747 15.293 7.743 100 HD3 LYS 14 HD1 LYS 14 39.706 16.160 6.519 101 HE2 LYS 14 HE2 LYS 14 37.359 17.031 6.716 102 HE3 LYS 14 HE1 LYS 14 37.737 16.415 5.090 103 HZ1 LYS 14 HZ1 LYS 14 36.585 14.413 5.542 104 HZ2 LYS 14 HZ2 LYS 14 35.561 15.670 6.046 105 HZ3 LYS 14 HZ3 LYS 14 36.431 14.769 7.194 106 H HIS 15 HN HIS 15 41.551 13.861 4.145 107 HA HIS 15 HA HIS 15 39.928 12.997 1.877 108 HB2 HIS 15 HB2 HIS 15 40.693 15.351 2.208 109 HB3 HIS 15 HB1 HIS 15 42.368 14.816 1.934 110 HD1 HIS 15 HD1 HIS 15 43.154 14.863 -0.434 111 HD2 HIS 15 HD2 HIS 15 38.971 14.528 -0.174 112 HE1 HIS 15 HE1 HIS 15 42.230 14.981 -2.814 113 H ALA 16 HN ALA 16 43.403 12.805 2.749 114 HA ALA 16 HA ALA 16 43.699 10.220 1.515 115 HB1 ALA 16 HB1 ALA 16 43.530 11.400 -0.587 116 HB2 ALA 16 HB2 ALA 16 45.230 10.938 -0.339 117 HB3 ALA 16 HB3 ALA 16 44.711 12.617 -0.050 118 H GLY 17 HN GLY 17 44.693 12.883 3.310 119 HA2 GLY 17 HA1 GLY 17 46.831 11.430 4.558 120 HA3 GLY 17 HA2 GLY 17 47.498 12.632 3.435 121 H LYS 18 HN LYS 18 44.839 12.449 5.843 122 HA LYS 18 HA LYS 18 44.195 13.982 7.465 123 HB2 LYS 18 HB2 LYS 18 47.208 14.405 7.509 124 HB3 LYS 18 HB1 LYS 18 46.090 15.123 8.694 125 HG2 LYS 18 HG2 LYS 18 45.307 12.894 9.359 126 HG3 LYS 18 HG1 LYS 18 46.338 12.138 8.120 127 HD2 LYS 18 HD2 LYS 18 48.339 13.207 9.248 128 HD3 LYS 18 HD1 LYS 18 47.249 13.717 10.561 129 HE2 LYS 18 HE2 LYS 18 47.786 10.853 9.661 130 HE3 LYS 18 HE1 LYS 18 48.330 11.606 11.179 131 HZ1 LYS 18 HZ1 LYS 18 45.970 11.969 11.739 132 HZ2 LYS 18 HZ2 LYS 18 46.357 10.322 11.579 133 HZ3 LYS 18 HZ3 LYS 18 45.513 11.123 10.341 134 H ALA 19 HN ALA 19 46.930 16.041 6.698 135 HA ALA 19 HA ALA 19 45.071 18.222 5.973 136 HB1 ALA 19 HB1 ALA 19 46.897 18.802 7.411 137 HB2 ALA 19 HB2 ALA 19 47.232 19.532 5.822 138 HB3 ALA 19 HB3 ALA 19 48.080 18.048 6.319 139 H ALA 20 HN ALA 20 45.018 16.039 4.163 140 HA ALA 20 HA ALA 20 45.108 15.631 1.887 141 HB1 ALA 20 HB1 ALA 20 45.708 18.588 1.588 142 HB2 ALA 20 HB2 ALA 20 44.080 17.939 1.898 143 HB3 ALA 20 HB3 ALA 20 44.944 17.504 0.403 144 H LEU 21 HN LEU 21 46.971 14.338 2.019 145 HA LEU 21 HA LEU 21 49.164 13.753 1.540 146 HB2 LEU 21 HB2 LEU 21 49.209 16.124 -0.356 147 HB3 LEU 21 HB1 LEU 21 50.029 14.552 -0.521 148 HG LEU 21 HG LEU 21 47.021 15.053 -0.637 149 HD11 LEU 21 HD11 LEU 21 48.266 15.728 -2.666 150 HD12 LEU 21 HD12 LEU 21 47.287 14.276 -2.981 151 HD13 LEU 21 HD13 LEU 21 49.043 14.129 -2.728 152 HD21 LEU 21 HD21 LEU 21 47.054 12.557 -1.337 153 HD22 LEU 21 HD22 LEU 21 47.291 12.909 0.390 154 HD23 LEU 21 HD23 LEU 21 48.689 12.503 -0.635 155 H THR 22 HN THR 22 48.660 15.768 3.682 156 HA THR 22 HA THR 22 49.883 17.217 5.025 157 HB THR 22 HB THR 22 52.353 15.891 3.831 158 HG1 THR 22 HG1 THR 22 50.875 14.926 6.036 159 HG21 THR 22 HG21 THR 22 53.245 16.241 6.102 160 HG22 THR 22 HG22 THR 22 51.694 16.948 6.614 161 HG23 THR 22 HG23 THR 22 52.698 17.785 5.405 162 H HIS 23 HN HIS 23 49.058 18.797 3.236 163 HA HIS 23 HA HIS 23 51.056 19.859 1.418 164 HB2 HIS 23 HB2 HIS 23 48.628 20.098 1.024 165 HB3 HIS 23 HB1 HIS 23 48.491 21.118 2.474 166 HD1 HIS 23 HD1 HIS 23 48.266 23.494 1.752 167 HD2 HIS 23 HD2 HIS 23 51.125 21.416 -0.524 168 HE1 HIS 23 HE1 HIS 23 49.294 25.163 0.115 169 H TYR 24 HN TYR 24 49.382 21.783 3.918 170 HA TYR 24 HA TYR 24 51.445 23.673 4.222 171 HB2 TYR 24 HB2 TYR 24 49.464 22.708 6.324 172 HB3 TYR 24 HB1 TYR 24 50.382 24.232 6.382 173 HD1 TYR 24 HD1 TYR 24 47.606 22.408 4.766 174 HD2 TYR 24 HD2 TYR 24 49.902 26.063 4.796 175 HE1 TYR 24 HE1 TYR 24 45.866 23.513 3.365 176 HE2 TYR 24 HE2 TYR 24 48.163 27.167 3.395 177 HH TYR 24 HH TYR 24 45.788 26.930 2.949 178 H LEU 25 HN LEU 25 52.584 24.056 6.434 179 HA LEU 25 HA LEU 25 53.481 21.676 7.846 180 HB2 LEU 25 HB2 LEU 25 55.973 22.167 7.075 181 HB3 LEU 25 HB1 LEU 25 54.921 21.131 6.085 182 HG LEU 25 HG LEU 25 54.376 23.001 4.609 183 HD11 LEU 25 HD11 LEU 25 55.996 24.601 6.630 184 HD12 LEU 25 HD12 LEU 25 54.336 24.902 6.058 185 HD13 LEU 25 HD13 LEU 25 55.715 25.185 4.974 186 HD21 LEU 25 HD21 LEU 25 56.439 21.709 4.153 187 HD22 LEU 25 HD22 LEU 25 57.370 22.825 5.180 188 HD23 LEU 25 HD23 LEU 25 56.635 23.410 3.667 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 55.387 1.362 -10.390 2 H2 GLY 1 HT2 GLY 1 56.903 1.447 -11.155 3 H3 GLY 1 HT3 GLY 1 55.707 2.605 -11.497 4 HA2 GLY 1 HA1 GLY 1 56.693 3.865 -10.028 5 HA3 GLY 1 HA2 GLY 1 55.917 2.795 -8.844 6 H TRP 2 HN TRP 2 58.472 4.298 -8.728 7 HA TRP 2 HA TRP 2 60.655 2.436 -9.007 8 HB2 TRP 2 HB2 TRP 2 60.380 4.888 -7.221 9 HB3 TRP 2 HB1 TRP 2 61.902 4.050 -7.611 10 HD1 TRP 2 HD1 TRP 2 59.287 6.385 -9.072 11 HE1 TRP 2 HE1 TRP 2 60.105 7.318 -11.358 12 HE3 TRP 2 HE3 TRP 2 63.433 3.450 -9.703 13 HZ2 TRP 2 HZ2 TRP 2 62.276 6.832 -13.187 14 HZ3 TRP 2 HZ3 TRP 2 64.864 3.702 -11.726 15 HH2 TRP 2 HH2 TRP 2 64.288 5.389 -13.467 16 H GLY 3 HN GLY 3 60.876 0.593 -7.932 17 HA2 GLY 3 HA1 GLY 3 61.039 -0.850 -6.128 18 HA3 GLY 3 HA2 GLY 3 60.945 0.557 -5.052 19 H SER 4 HN SER 4 58.749 1.519 -4.735 20 HA SER 4 HA SER 4 56.967 -0.426 -3.722 21 HB2 SER 4 HB2 SER 4 56.205 2.348 -4.702 22 HB3 SER 4 HB1 SER 4 55.380 1.378 -3.463 23 HG SER 4 HG SER 4 58.118 1.905 -3.157 24 H PHE 5 HN PHE 5 55.019 -1.303 -4.422 25 HA PHE 5 HA PHE 5 54.878 -1.740 -7.327 26 HB2 PHE 5 HB2 PHE 5 53.157 -2.697 -5.006 27 HB3 PHE 5 HB1 PHE 5 52.932 -3.194 -6.700 28 HD1 PHE 5 HD1 PHE 5 54.890 -3.671 -3.656 29 HD2 PHE 5 HD2 PHE 5 54.828 -4.363 -7.917 30 HE1 PHE 5 HE1 PHE 5 56.672 -5.393 -3.402 31 HE2 PHE 5 HE2 PHE 5 56.610 -6.086 -7.662 32 HZ PHE 5 HZ PHE 5 57.586 -6.542 -5.416 33 H PHE 6 HN PHE 6 54.560 0.704 -7.608 34 HA PHE 6 HA PHE 6 53.148 2.443 -8.201 35 HB2 PHE 6 HB2 PHE 6 51.015 0.286 -8.412 36 HB3 PHE 6 HB1 PHE 6 51.053 1.855 -9.252 37 HD1 PHE 6 HD1 PHE 6 52.771 2.305 -11.009 38 HD2 PHE 6 HD2 PHE 6 52.351 -1.585 -9.183 39 HE1 PHE 6 HE1 PHE 6 54.105 1.293 -12.857 40 HE2 PHE 6 HE2 PHE 6 53.685 -2.595 -11.030 41 HZ PHE 6 HZ PHE 6 54.576 -1.154 -12.857 42 H LYS 7 HN LYS 7 50.977 3.551 -7.695 43 HA LYS 7 HA LYS 7 50.788 3.718 -4.788 44 HB2 LYS 7 HB2 LYS 7 48.943 4.990 -6.840 45 HB3 LYS 7 HB1 LYS 7 49.263 5.533 -5.177 46 HG2 LYS 7 HG2 LYS 7 51.341 5.429 -7.415 47 HG3 LYS 7 HG1 LYS 7 50.489 6.895 -6.877 48 HD2 LYS 7 HD2 LYS 7 51.399 6.315 -4.502 49 HD3 LYS 7 HD1 LYS 7 52.509 5.211 -5.349 50 HE2 LYS 7 HE2 LYS 7 53.266 7.137 -6.773 51 HE3 LYS 7 HE1 LYS 7 52.246 8.216 -5.790 52 HZ1 LYS 7 HZ1 LYS 7 53.843 6.586 -4.114 53 HZ2 LYS 7 HZ2 LYS 7 53.809 8.280 -4.240 54 HZ3 LYS 7 HZ3 LYS 7 54.835 7.370 -5.244 55 H LYS 8 HN LYS 8 48.985 2.157 -7.372 56 HA LYS 8 HA LYS 8 47.107 0.795 -7.313 57 HB2 LYS 8 HB2 LYS 8 48.189 0.341 -4.506 58 HB3 LYS 8 HB1 LYS 8 46.872 -0.616 -5.228 59 HG2 LYS 8 HG2 LYS 8 48.291 -1.480 -6.944 60 HG3 LYS 8 HG1 LYS 8 49.555 -0.269 -6.625 61 HD2 LYS 8 HD2 LYS 8 50.123 -2.536 -5.716 62 HD3 LYS 8 HD1 LYS 8 50.049 -1.281 -4.458 63 HE2 LYS 8 HE2 LYS 8 47.605 -2.966 -5.104 64 HE3 LYS 8 HE1 LYS 8 48.864 -3.566 -3.999 65 HZ1 LYS 8 HZ1 LYS 8 46.838 -1.629 -3.524 66 HZ2 LYS 8 HZ2 LYS 8 48.373 -0.959 -3.237 67 HZ3 LYS 8 HZ3 LYS 8 47.893 -2.371 -2.424 68 H ALA 9 HN ALA 9 46.826 1.421 -3.850 69 HA ALA 9 HA ALA 9 44.859 3.554 -4.158 70 HB1 ALA 9 HB1 ALA 9 43.503 1.635 -4.908 71 HB2 ALA 9 HB2 ALA 9 42.915 2.283 -3.358 72 HB3 ALA 9 HB3 ALA 9 43.873 0.783 -3.392 73 H ALA 10 HN ALA 10 47.269 3.213 -2.703 74 HA ALA 10 HA ALA 10 46.740 2.438 0.028 75 HB1 ALA 10 HB1 ALA 10 48.846 4.300 -1.126 76 HB2 ALA 10 HB2 ALA 10 49.007 2.541 -0.903 77 HB3 ALA 10 HB3 ALA 10 48.859 3.610 0.513 78 H HIS 11 HN HIS 11 47.675 4.525 1.577 79 HA HIS 11 HA HIS 11 46.203 6.976 1.062 80 HB2 HIS 11 HB2 HIS 11 44.561 6.756 2.893 81 HB3 HIS 11 HB1 HIS 11 44.290 5.525 1.636 82 HD1 HIS 11 HD1 HIS 11 44.114 5.697 5.107 83 HD2 HIS 11 HD2 HIS 11 46.151 3.098 2.504 84 HE1 HIS 11 HE1 HIS 11 44.663 3.576 6.424 85 H ALA 12 HN ALA 12 48.829 6.653 1.581 86 HA ALA 12 HA ALA 12 49.467 6.733 4.404 87 HB1 ALA 12 HB1 ALA 12 51.058 6.149 2.544 88 HB2 ALA 12 HB2 ALA 12 51.678 7.366 3.686 89 HB3 ALA 12 HB3 ALA 12 51.069 7.869 2.091 90 H GLY 13 HN GLY 13 51.036 8.852 4.889 91 HA2 GLY 13 HA1 GLY 13 49.176 10.895 5.566 92 HA3 GLY 13 HA2 GLY 13 50.944 11.044 5.613 93 H LYS 14 HN LYS 14 48.096 11.216 3.474 94 HA LYS 14 HA LYS 14 49.060 13.644 2.240 95 HB2 LYS 14 HB2 LYS 14 50.575 11.929 1.156 96 HB3 LYS 14 HB1 LYS 14 49.120 11.189 0.446 97 HG2 LYS 14 HG2 LYS 14 48.563 13.288 -0.694 98 HG3 LYS 14 HG1 LYS 14 49.942 14.104 0.080 99 HD2 LYS 14 HD2 LYS 14 51.524 12.667 -1.080 100 HD3 LYS 14 HD1 LYS 14 50.203 11.670 -1.735 101 HE2 LYS 14 HE2 LYS 14 49.338 13.624 -2.984 102 HE3 LYS 14 HE1 LYS 14 50.653 14.628 -2.325 103 HZ1 LYS 14 HZ1 LYS 14 51.258 13.850 -4.497 104 HZ2 LYS 14 HZ2 LYS 14 50.942 12.236 -4.074 105 HZ3 LYS 14 HZ3 LYS 14 52.239 13.067 -3.357 106 H HIS 15 HN HIS 15 47.319 10.766 0.972 107 HA HIS 15 HA HIS 15 45.151 12.353 -0.063 108 HB2 HIS 15 HB2 HIS 15 45.367 9.386 0.583 109 HB3 HIS 15 HB1 HIS 15 43.992 10.126 -0.273 110 HD1 HIS 15 HD1 HIS 15 46.270 12.239 -1.612 111 HD2 HIS 15 HD2 HIS 15 46.006 8.055 -1.939 112 HE1 HIS 15 HE1 HIS 15 47.473 11.565 -3.763 113 H ALA 16 HN ALA 16 45.986 11.495 3.102 114 HA ALA 16 HA ALA 16 43.562 12.656 4.173 115 HB1 ALA 16 HB1 ALA 16 42.627 10.709 5.272 116 HB2 ALA 16 HB2 ALA 16 43.918 9.672 4.619 117 HB3 ALA 16 HB3 ALA 16 42.715 10.394 3.523 118 H GLY 17 HN GLY 17 46.041 13.493 4.569 119 HA2 GLY 17 HA1 GLY 17 47.350 12.195 6.822 120 HA3 GLY 17 HA2 GLY 17 47.742 13.780 6.126 121 H LYS 18 HN LYS 18 45.097 12.191 7.965 122 HA LYS 18 HA LYS 18 43.935 12.906 9.829 123 HB2 LYS 18 HB2 LYS 18 46.388 13.294 10.605 124 HB3 LYS 18 HB1 LYS 18 46.067 15.018 10.313 125 HG2 LYS 18 HG2 LYS 18 44.178 14.968 11.884 126 HG3 LYS 18 HG1 LYS 18 44.391 13.216 12.123 127 HD2 LYS 18 HD2 LYS 18 46.713 13.660 12.965 128 HD3 LYS 18 HD1 LYS 18 46.387 15.406 12.841 129 HE2 LYS 18 HE2 LYS 18 44.803 13.420 14.529 130 HE3 LYS 18 HE1 LYS 18 45.992 14.591 15.148 131 HZ1 LYS 18 HZ1 LYS 18 43.279 15.025 14.169 132 HZ2 LYS 18 HZ2 LYS 18 44.426 16.201 13.738 133 HZ3 LYS 18 HZ3 LYS 18 44.144 15.845 15.376 134 H ALA 19 HN ALA 19 44.496 14.786 7.141 135 HA ALA 19 HA ALA 19 42.078 16.303 7.513 136 HB1 ALA 19 HB1 ALA 19 43.338 17.677 9.033 137 HB2 ALA 19 HB2 ALA 19 43.162 18.580 7.509 138 HB3 ALA 19 HB3 ALA 19 44.702 17.777 7.898 139 H ALA 20 HN ALA 20 44.860 17.863 6.063 140 HA ALA 20 HA ALA 20 44.512 16.654 3.432 141 HB1 ALA 20 HB1 ALA 20 43.546 18.519 2.279 142 HB2 ALA 20 HB2 ALA 20 43.601 19.531 3.742 143 HB3 ALA 20 HB3 ALA 20 42.481 18.148 3.656 144 H LEU 21 HN LEU 21 46.683 16.432 3.236 145 HA LEU 21 HA LEU 21 48.895 17.064 2.944 146 HB2 LEU 21 HB2 LEU 21 47.884 19.848 2.277 147 HB3 LEU 21 HB1 LEU 21 49.297 18.989 1.618 148 HG LEU 21 HG LEU 21 46.362 18.295 1.151 149 HD11 LEU 21 HD11 LEU 21 48.542 19.151 -0.802 150 HD12 LEU 21 HD12 LEU 21 47.348 20.267 -0.095 151 HD13 LEU 21 HD13 LEU 21 46.809 18.937 -1.148 152 HD21 LEU 21 HD21 LEU 21 48.953 16.877 0.398 153 HD22 LEU 21 HD22 LEU 21 47.438 16.620 -0.500 154 HD23 LEU 21 HD23 LEU 21 47.530 16.203 1.226 155 H THR 22 HN THR 22 47.449 17.560 5.555 156 HA THR 22 HA THR 22 47.926 18.505 7.613 157 HB THR 22 HB THR 22 50.748 19.070 6.614 158 HG1 THR 22 HG1 THR 22 51.112 17.003 6.461 159 HG21 THR 22 HG21 THR 22 49.697 17.961 9.253 160 HG22 THR 22 HG22 THR 22 50.033 19.684 8.963 161 HG23 THR 22 HG23 THR 22 51.355 18.497 8.898 162 H HIS 23 HN HIS 23 46.657 20.233 5.896 163 HA HIS 23 HA HIS 23 46.260 22.488 5.523 164 HB2 HIS 23 HB2 HIS 23 47.885 22.740 8.084 165 HB3 HIS 23 HB1 HIS 23 46.858 24.014 7.384 166 HD1 HIS 23 HD1 HIS 23 44.552 24.090 8.314 167 HD2 HIS 23 HD2 HIS 23 46.211 20.233 8.545 168 HE1 HIS 23 HE1 HIS 23 42.820 22.583 9.434 169 H TYR 24 HN TYR 24 47.313 24.729 5.304 170 HA TYR 24 HA TYR 24 49.871 24.333 3.809 171 HB2 TYR 24 HB2 TYR 24 47.890 26.641 3.941 172 HB3 TYR 24 HB1 TYR 24 49.381 26.641 2.967 173 HD1 TYR 24 HD1 TYR 24 49.525 25.401 0.901 174 HD2 TYR 24 HD2 TYR 24 46.086 24.954 3.473 175 HE1 TYR 24 HE1 TYR 24 48.337 24.159 -0.902 176 HE2 TYR 24 HE2 TYR 24 44.900 23.711 1.668 177 HH TYR 24 HH TYR 24 46.333 23.406 -1.582 178 H LEU 25 HN LEU 25 51.784 25.119 4.452 179 HA LEU 25 HA LEU 25 52.013 26.191 7.154 180 HB2 LEU 25 HB2 LEU 25 54.204 26.195 5.051 181 HB3 LEU 25 HB1 LEU 25 54.358 26.059 6.819 182 HG LEU 25 HG LEU 25 53.151 23.984 4.936 183 HD11 LEU 25 HD11 LEU 25 55.655 23.977 6.681 184 HD12 LEU 25 HD12 LEU 25 55.623 24.110 4.906 185 HD13 LEU 25 HD13 LEU 25 55.074 22.613 5.697 186 HD21 LEU 25 HD21 LEU 25 53.151 22.599 7.122 187 HD22 LEU 25 HD22 LEU 25 51.893 23.847 6.969 188 HD23 LEU 25 HD23 LEU 25 53.331 24.152 7.973 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 65.376 -1.952 -11.631 2 H2 GLY 1 HT2 GLY 1 65.428 -0.390 -10.965 3 H3 GLY 1 HT3 GLY 1 65.170 -0.601 -12.631 4 HA2 GLY 1 HA1 GLY 1 63.363 -1.459 -10.470 5 HA3 GLY 1 HA2 GLY 1 63.150 -0.027 -11.497 6 H TRP 2 HN TRP 2 62.873 -3.482 -11.230 7 HA TRP 2 HA TRP 2 62.436 -4.064 -14.016 8 HB2 TRP 2 HB2 TRP 2 61.397 -5.480 -11.529 9 HB3 TRP 2 HB1 TRP 2 61.403 -6.149 -13.177 10 HD1 TRP 2 HD1 TRP 2 63.712 -5.257 -10.276 11 HE1 TRP 2 HE1 TRP 2 66.061 -6.302 -10.665 12 HE3 TRP 2 HE3 TRP 2 63.057 -6.952 -15.063 13 HZ2 TRP 2 HZ2 TRP 2 67.438 -7.682 -12.784 14 HZ3 TRP 2 HZ3 TRP 2 64.903 -8.130 -16.248 15 HH2 TRP 2 HH2 TRP 2 67.091 -8.496 -15.114 16 H GLY 3 HN GLY 3 60.397 -2.822 -11.424 17 HA2 GLY 3 HA1 GLY 3 58.493 -1.620 -13.041 18 HA3 GLY 3 HA2 GLY 3 57.896 -3.279 -12.839 19 H SER 4 HN SER 4 58.199 -4.037 -10.394 20 HA SER 4 HA SER 4 56.383 -2.343 -8.897 21 HB2 SER 4 HB2 SER 4 56.528 -4.863 -8.746 22 HB3 SER 4 HB1 SER 4 58.057 -4.661 -7.864 23 HG SER 4 HG SER 4 55.497 -3.627 -7.147 24 H PHE 5 HN PHE 5 56.748 -0.857 -7.354 25 HA PHE 5 HA PHE 5 59.195 -0.738 -5.823 26 HB2 PHE 5 HB2 PHE 5 60.137 0.052 -7.955 27 HB3 PHE 5 HB1 PHE 5 58.885 1.312 -8.053 28 HD1 PHE 5 HD1 PHE 5 59.387 3.449 -7.167 29 HD2 PHE 5 HD2 PHE 5 61.491 -0.008 -5.662 30 HE1 PHE 5 HE1 PHE 5 60.796 4.926 -5.739 31 HE2 PHE 5 HE2 PHE 5 62.899 1.472 -4.236 32 HZ PHE 5 HZ PHE 5 62.494 3.930 -4.213 33 H PHE 6 HN PHE 6 57.302 1.935 -7.267 34 HA PHE 6 HA PHE 6 56.861 3.247 -4.786 35 HB2 PHE 6 HB2 PHE 6 55.129 4.524 -5.987 36 HB3 PHE 6 HB1 PHE 6 56.589 4.337 -6.986 37 HD1 PHE 6 HD1 PHE 6 56.625 2.764 -8.896 38 HD2 PHE 6 HD2 PHE 6 53.049 3.386 -6.560 39 HE1 PHE 6 HE1 PHE 6 55.271 1.668 -10.678 40 HE2 PHE 6 HE2 PHE 6 51.695 2.291 -8.342 41 HZ PHE 6 HZ PHE 6 52.794 1.517 -10.441 42 H LYS 7 HN LYS 7 54.203 3.813 -4.533 43 HA LYS 7 HA LYS 7 52.604 1.377 -4.374 44 HB2 LYS 7 HB2 LYS 7 52.420 1.347 -1.897 45 HB3 LYS 7 HB1 LYS 7 54.066 0.957 -2.453 46 HG2 LYS 7 HG2 LYS 7 54.602 3.462 -2.147 47 HG3 LYS 7 HG1 LYS 7 53.055 3.576 -1.273 48 HD2 LYS 7 HD2 LYS 7 55.348 1.690 -0.567 49 HD3 LYS 7 HD1 LYS 7 54.964 3.206 0.280 50 HE2 LYS 7 HE2 LYS 7 52.590 2.192 0.614 51 HE3 LYS 7 HE1 LYS 7 53.342 0.642 0.162 52 HZ1 LYS 7 HZ1 LYS 7 53.832 2.339 2.517 53 HZ2 LYS 7 HZ2 LYS 7 55.096 1.372 1.924 54 HZ3 LYS 7 HZ3 LYS 7 53.637 0.657 2.419 55 H LYS 8 HN LYS 8 50.517 1.912 -4.469 56 HA LYS 8 HA LYS 8 49.654 4.568 -4.811 57 HB2 LYS 8 HB2 LYS 8 47.373 3.696 -4.485 58 HB3 LYS 8 HB1 LYS 8 48.341 2.591 -5.490 59 HG2 LYS 8 HG2 LYS 8 48.888 1.322 -3.322 60 HG3 LYS 8 HG1 LYS 8 47.609 2.290 -2.551 61 HD2 LYS 8 HD2 LYS 8 47.231 0.537 -5.021 62 HD3 LYS 8 HD1 LYS 8 46.765 0.083 -3.366 63 HE2 LYS 8 HE2 LYS 8 45.376 2.284 -3.358 64 HE3 LYS 8 HE1 LYS 8 45.604 2.269 -5.124 65 HZ1 LYS 8 HZ1 LYS 8 44.860 -0.259 -4.661 66 HZ2 LYS 8 HZ2 LYS 8 43.780 0.989 -5.069 67 HZ3 LYS 8 HZ3 LYS 8 43.989 0.539 -3.444 68 H ALA 9 HN ALA 9 48.265 5.919 -3.510 69 HA ALA 9 HA ALA 9 48.067 5.456 -0.642 70 HB1 ALA 9 HB1 ALA 9 50.493 6.123 -0.954 71 HB2 ALA 9 HB2 ALA 9 49.550 7.163 0.140 72 HB3 ALA 9 HB3 ALA 9 49.905 7.704 -1.518 73 H ALA 10 HN ALA 10 45.947 5.789 -1.975 74 HA ALA 10 HA ALA 10 45.120 8.274 -2.954 75 HB1 ALA 10 HB1 ALA 10 42.861 7.580 -2.445 76 HB2 ALA 10 HB2 ALA 10 43.447 6.423 -1.225 77 HB3 ALA 10 HB3 ALA 10 43.794 6.151 -2.950 78 H HIS 11 HN HIS 11 44.110 7.186 0.307 79 HA HIS 11 HA HIS 11 45.154 9.550 1.625 80 HB2 HIS 11 HB2 HIS 11 42.941 10.577 2.165 81 HB3 HIS 11 HB1 HIS 11 43.350 10.683 0.436 82 HD1 HIS 11 HD1 HIS 11 42.551 7.242 1.020 83 HD2 HIS 11 HD2 HIS 11 40.251 10.735 0.576 84 HE1 HIS 11 HE1 HIS 11 40.182 6.519 0.390 85 H ALA 12 HN ALA 12 45.818 7.381 2.616 86 HA ALA 12 HA ALA 12 43.958 5.791 4.067 87 HB1 ALA 12 HB1 ALA 12 46.860 6.430 4.699 88 HB2 ALA 12 HB2 ALA 12 46.275 5.111 3.656 89 HB3 ALA 12 HB3 ALA 12 45.918 5.093 5.400 90 H GLY 13 HN GLY 13 45.612 8.825 4.877 91 HA2 GLY 13 HA1 GLY 13 44.788 8.809 7.655 92 HA3 GLY 13 HA2 GLY 13 45.429 10.191 6.746 93 H LYS 14 HN LYS 14 44.006 11.724 7.455 94 HA LYS 14 HA LYS 14 41.139 11.253 7.511 95 HB2 LYS 14 HB2 LYS 14 42.773 13.821 7.577 96 HB3 LYS 14 HB1 LYS 14 41.019 13.723 7.870 97 HG2 LYS 14 HG2 LYS 14 41.507 12.053 9.716 98 HG3 LYS 14 HG1 LYS 14 43.238 12.413 9.497 99 HD2 LYS 14 HD2 LYS 14 42.848 14.780 10.011 100 HD3 LYS 14 HD1 LYS 14 41.095 14.489 10.134 101 HE2 LYS 14 HE2 LYS 14 41.393 13.059 12.064 102 HE3 LYS 14 HE1 LYS 14 43.162 13.076 11.869 103 HZ1 LYS 14 HZ1 LYS 14 43.323 15.093 12.807 104 HZ2 LYS 14 HZ2 LYS 14 41.801 14.738 13.472 105 HZ3 LYS 14 HZ3 LYS 14 41.917 15.689 12.069 106 H HIS 15 HN HIS 15 43.259 13.258 5.402 107 HA HIS 15 HA HIS 15 41.746 12.527 3.035 108 HB2 HIS 15 HB2 HIS 15 40.175 14.152 4.193 109 HB3 HIS 15 HB1 HIS 15 41.420 15.404 3.971 110 HD1 HIS 15 HD1 HIS 15 39.196 13.022 1.967 111 HD2 HIS 15 HD2 HIS 15 41.449 16.530 1.421 112 HE1 HIS 15 HE1 HIS 15 38.744 13.856 -0.405 113 H ALA 16 HN ALA 16 44.508 13.008 4.341 114 HA ALA 16 HA ALA 16 45.799 13.868 1.885 115 HB1 ALA 16 HB1 ALA 16 45.120 16.075 2.784 116 HB2 ALA 16 HB2 ALA 16 46.889 15.877 2.750 117 HB3 ALA 16 HB3 ALA 16 46.004 15.719 4.286 118 H GLY 17 HN GLY 17 45.987 13.290 5.388 119 HA2 GLY 17 HA1 GLY 17 47.452 11.909 6.550 120 HA3 GLY 17 HA2 GLY 17 48.154 11.395 5.003 121 H LYS 18 HN LYS 18 49.538 13.108 3.888 122 HA LYS 18 HA LYS 18 51.584 13.914 5.814 123 HB2 LYS 18 HB2 LYS 18 52.764 14.768 3.793 124 HB3 LYS 18 HB1 LYS 18 52.228 13.081 3.611 125 HG2 LYS 18 HG2 LYS 18 50.210 13.872 2.381 126 HG3 LYS 18 HG1 LYS 18 50.794 15.546 2.526 127 HD2 LYS 18 HD2 LYS 18 52.922 14.809 1.357 128 HD3 LYS 18 HD1 LYS 18 52.131 13.244 1.047 129 HE2 LYS 18 HE2 LYS 18 51.066 15.966 0.169 130 HE3 LYS 18 HE1 LYS 18 51.885 14.788 -0.887 131 HZ1 LYS 18 HZ1 LYS 18 50.141 13.189 -0.386 132 HZ2 LYS 18 HZ2 LYS 18 49.480 14.606 -1.051 133 HZ3 LYS 18 HZ3 LYS 18 49.360 14.311 0.618 134 H ALA 19 HN ALA 19 48.865 15.188 5.957 135 HA ALA 19 HA ALA 19 49.804 17.883 6.450 136 HB1 ALA 19 HB1 ALA 19 48.560 19.084 4.790 137 HB2 ALA 19 HB2 ALA 19 47.798 17.590 4.192 138 HB3 ALA 19 HB3 ALA 19 49.537 17.869 3.933 139 H ALA 20 HN ALA 20 47.489 15.350 6.438 140 HA ALA 20 HA ALA 20 45.474 15.065 7.556 141 HB1 ALA 20 HB1 ALA 20 45.390 16.136 9.828 142 HB2 ALA 20 HB2 ALA 20 46.884 17.011 9.410 143 HB3 ALA 20 HB3 ALA 20 46.888 15.233 9.499 144 H LEU 21 HN LEU 21 44.187 16.000 5.894 145 HA LEU 21 HA LEU 21 42.660 17.527 5.049 146 HB2 LEU 21 HB2 LEU 21 41.749 16.987 7.399 147 HB3 LEU 21 HB1 LEU 21 42.425 18.551 7.899 148 HG LEU 21 HG LEU 21 41.089 19.504 5.812 149 HD11 LEU 21 HD11 LEU 21 39.664 16.857 6.356 150 HD12 LEU 21 HD12 LEU 21 40.355 17.409 4.813 151 HD13 LEU 21 HD13 LEU 21 38.927 18.221 5.488 152 HD21 LEU 21 HD21 LEU 21 40.588 20.062 8.164 153 HD22 LEU 21 HD22 LEU 21 39.680 18.542 8.344 154 HD23 LEU 21 HD23 LEU 21 39.082 19.812 7.249 155 H THR 22 HN THR 22 45.188 18.343 4.579 156 HA THR 22 HA THR 22 46.491 20.212 4.147 157 HB THR 22 HB THR 22 43.900 21.798 4.376 158 HG1 THR 22 HG1 THR 22 43.309 20.402 2.897 159 HG21 THR 22 HG21 THR 22 44.993 23.207 2.662 160 HG22 THR 22 HG22 THR 22 46.417 22.140 2.688 161 HG23 THR 22 HG23 THR 22 45.996 23.098 4.128 162 H HIS 23 HN HIS 23 47.740 20.277 6.002 163 HA HIS 23 HA HIS 23 46.893 21.301 8.518 164 HB2 HIS 23 HB2 HIS 23 48.991 20.004 8.105 165 HB3 HIS 23 HB1 HIS 23 49.683 21.438 7.308 166 HD1 HIS 23 HD1 HIS 23 47.574 21.248 10.513 167 HD2 HIS 23 HD2 HIS 23 51.441 22.332 9.271 168 HE1 HIS 23 HE1 HIS 23 48.748 22.309 12.519 169 H TYR 24 HN TYR 24 48.590 22.926 5.803 170 HA TYR 24 HA TYR 24 48.759 25.488 7.043 171 HB2 TYR 24 HB2 TYR 24 50.016 24.873 5.013 172 HB3 TYR 24 HB1 TYR 24 48.495 24.788 4.090 173 HD1 TYR 24 HD1 TYR 24 50.769 27.070 5.987 174 HD2 TYR 24 HD2 TYR 24 47.396 26.788 3.306 175 HE1 TYR 24 HE1 TYR 24 50.885 29.525 5.580 176 HE2 TYR 24 HE2 TYR 24 47.514 29.243 2.902 177 HH TYR 24 HH TYR 24 48.275 31.206 4.054 178 H LEU 25 HN LEU 25 47.521 27.387 6.788 179 HA LEU 25 HA LEU 25 44.659 26.912 6.883 180 HB2 LEU 25 HB2 LEU 25 46.001 29.614 6.542 181 HB3 LEU 25 HB1 LEU 25 44.464 29.234 7.355 182 HG LEU 25 HG LEU 25 47.254 28.410 8.280 183 HD11 LEU 25 HD11 LEU 25 46.725 29.904 10.201 184 HD12 LEU 25 HD12 LEU 25 45.185 30.342 9.421 185 HD13 LEU 25 HD13 LEU 25 46.729 30.790 8.658 186 HD21 LEU 25 HD21 LEU 25 45.787 26.635 8.929 187 HD22 LEU 25 HD22 LEU 25 44.457 27.759 9.301 188 HD23 LEU 25 HD23 LEU 25 45.886 27.685 10.360 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 58.880 2.111 -12.687 2 H2 GLY 1 HT2 GLY 1 58.910 2.759 -11.116 3 H3 GLY 1 HT3 GLY 1 60.364 2.451 -11.941 4 HA2 GLY 1 HA1 GLY 1 59.880 4.109 -13.547 5 HA3 GLY 1 HA2 GLY 1 58.310 4.392 -12.771 6 H TRP 2 HN TRP 2 61.207 3.667 -10.919 7 HA TRP 2 HA TRP 2 62.253 4.923 -9.267 8 HB2 TRP 2 HB2 TRP 2 61.941 7.192 -11.270 9 HB3 TRP 2 HB1 TRP 2 63.164 7.052 -9.985 10 HD1 TRP 2 HD1 TRP 2 64.930 4.974 -10.240 11 HE1 TRP 2 HE1 TRP 2 65.955 3.884 -12.366 12 HE3 TRP 2 HE3 TRP 2 61.536 6.616 -13.705 13 HZ2 TRP 2 HZ2 TRP 2 65.356 3.761 -15.181 14 HZ3 TRP 2 HZ3 TRP 2 61.784 6.000 -16.104 15 HH2 TRP 2 HH2 TRP 2 63.689 4.576 -16.845 16 H GLY 3 HN GLY 3 60.378 4.725 -7.869 17 HA2 GLY 3 HA1 GLY 3 59.646 7.121 -6.627 18 HA3 GLY 3 HA2 GLY 3 58.367 6.804 -7.816 19 H SER 4 HN SER 4 58.324 3.992 -7.724 20 HA SER 4 HA SER 4 57.236 2.323 -6.537 21 HB2 SER 4 HB2 SER 4 58.671 3.512 -4.133 22 HB3 SER 4 HB1 SER 4 58.032 1.861 -4.287 23 HG SER 4 HG SER 4 60.410 2.494 -4.824 24 H PHE 5 HN PHE 5 55.214 3.462 -6.993 25 HA PHE 5 HA PHE 5 54.012 5.345 -5.260 26 HB2 PHE 5 HB2 PHE 5 52.549 3.104 -6.701 27 HB3 PHE 5 HB1 PHE 5 51.917 4.707 -6.256 28 HD1 PHE 5 HD1 PHE 5 52.577 6.719 -7.494 29 HD2 PHE 5 HD2 PHE 5 54.138 2.839 -8.559 30 HE1 PHE 5 HE1 PHE 5 53.403 7.644 -9.656 31 HE2 PHE 5 HE2 PHE 5 54.963 3.763 -10.721 32 HZ PHE 5 HZ PHE 5 54.613 6.170 -11.261 33 H PHE 6 HN PHE 6 52.268 5.062 -3.702 34 HA PHE 6 HA PHE 6 53.002 3.340 -1.566 35 HB2 PHE 6 HB2 PHE 6 50.308 4.617 -2.181 36 HB3 PHE 6 HB1 PHE 6 50.781 3.918 -0.613 37 HD1 PHE 6 HD1 PHE 6 51.470 6.639 -3.063 38 HD2 PHE 6 HD2 PHE 6 52.318 5.072 0.868 39 HE1 PHE 6 HE1 PHE 6 52.579 8.783 -2.449 40 HE2 PHE 6 HE2 PHE 6 53.428 7.217 1.483 41 HZ PHE 6 HZ PHE 6 53.498 9.095 -0.153 42 H LYS 7 HN LYS 7 52.613 1.273 -1.076 43 HA LYS 7 HA LYS 7 51.639 -0.570 -2.973 44 HB2 LYS 7 HB2 LYS 7 52.968 -1.064 -0.867 45 HB3 LYS 7 HB1 LYS 7 51.446 -0.911 0.042 46 HG2 LYS 7 HG2 LYS 7 50.440 -2.680 -1.433 47 HG3 LYS 7 HG1 LYS 7 52.030 -2.885 -2.208 48 HD2 LYS 7 HD2 LYS 7 53.012 -3.395 0.045 49 HD3 LYS 7 HD1 LYS 7 51.374 -3.317 0.738 50 HE2 LYS 7 HE2 LYS 7 51.867 -5.647 0.279 51 HE3 LYS 7 HE1 LYS 7 50.674 -5.098 -0.922 52 HZ1 LYS 7 HZ1 LYS 7 52.109 -5.465 -2.561 53 HZ2 LYS 7 HZ2 LYS 7 53.109 -6.258 -1.439 54 HZ3 LYS 7 HZ3 LYS 7 53.354 -4.614 -1.785 55 H LYS 8 HN LYS 8 49.700 -0.365 -3.936 56 HA LYS 8 HA LYS 8 47.395 -0.152 -4.158 57 HB2 LYS 8 HB2 LYS 8 47.474 -1.633 -1.499 58 HB3 LYS 8 HB1 LYS 8 46.055 -1.491 -2.565 59 HG2 LYS 8 HG2 LYS 8 47.109 -2.754 -4.308 60 HG3 LYS 8 HG1 LYS 8 48.707 -2.628 -3.536 61 HD2 LYS 8 HD2 LYS 8 47.666 -4.878 -3.208 62 HD3 LYS 8 HD1 LYS 8 47.959 -4.033 -1.670 63 HE2 LYS 8 HE2 LYS 8 45.649 -5.176 -1.990 64 HE3 LYS 8 HE1 LYS 8 45.660 -3.502 -1.388 65 HZ1 LYS 8 HZ1 LYS 8 44.132 -4.176 -3.365 66 HZ2 LYS 8 HZ2 LYS 8 45.544 -3.997 -4.291 67 HZ3 LYS 8 HZ3 LYS 8 44.941 -2.686 -3.394 68 H ALA 9 HN ALA 9 45.273 0.274 -2.564 69 HA ALA 9 HA ALA 9 45.351 3.030 -2.024 70 HB1 ALA 9 HB1 ALA 9 43.612 0.984 -0.605 71 HB2 ALA 9 HB2 ALA 9 43.301 1.616 -2.241 72 HB3 ALA 9 HB3 ALA 9 43.264 2.712 -0.840 73 H ALA 10 HN ALA 10 45.252 4.227 -0.023 74 HA ALA 10 HA ALA 10 46.130 2.978 2.458 75 HB1 ALA 10 HB1 ALA 10 48.287 4.270 2.582 76 HB2 ALA 10 HB2 ALA 10 48.105 4.628 0.848 77 HB3 ALA 10 HB3 ALA 10 48.290 2.944 1.396 78 H HIS 11 HN HIS 11 47.228 6.162 1.397 79 HA HIS 11 HA HIS 11 46.679 8.267 2.207 80 HB2 HIS 11 HB2 HIS 11 43.859 7.123 2.102 81 HB3 HIS 11 HB1 HIS 11 44.291 8.849 2.150 82 HD1 HIS 11 HD1 HIS 11 42.706 7.929 -0.269 83 HD2 HIS 11 HD2 HIS 11 46.902 7.704 -0.125 84 HE1 HIS 11 HE1 HIS 11 43.550 7.913 -2.679 85 H ALA 12 HN ALA 12 47.698 8.140 4.218 86 HA ALA 12 HA ALA 12 46.267 7.029 6.529 87 HB1 ALA 12 HB1 ALA 12 48.679 6.902 6.478 88 HB2 ALA 12 HB2 ALA 12 48.201 8.002 7.793 89 HB3 ALA 12 HB3 ALA 12 48.813 8.662 6.257 90 H GLY 13 HN GLY 13 44.374 8.556 5.763 91 HA2 GLY 13 HA1 GLY 13 43.963 10.449 7.815 92 HA3 GLY 13 HA2 GLY 13 44.559 11.347 6.406 93 H LYS 14 HN LYS 14 43.404 11.020 4.335 94 HA LYS 14 HA LYS 14 40.683 9.930 4.470 95 HB2 LYS 14 HB2 LYS 14 40.555 12.221 5.611 96 HB3 LYS 14 HB1 LYS 14 40.955 12.927 4.027 97 HG2 LYS 14 HG2 LYS 14 38.991 11.583 3.074 98 HG3 LYS 14 HG1 LYS 14 38.529 11.237 4.759 99 HD2 LYS 14 HD2 LYS 14 38.881 14.027 3.571 100 HD3 LYS 14 HD1 LYS 14 37.319 13.220 3.843 101 HE2 LYS 14 HE2 LYS 14 38.114 12.977 6.320 102 HE3 LYS 14 HE1 LYS 14 39.322 14.214 5.896 103 HZ1 LYS 14 HZ1 LYS 14 37.744 15.799 5.641 104 HZ2 LYS 14 HZ2 LYS 14 36.919 14.831 6.767 105 HZ3 LYS 14 HZ3 LYS 14 36.550 14.717 5.113 106 H HIS 15 HN HIS 15 42.136 12.662 2.650 107 HA HIS 15 HA HIS 15 41.462 11.289 0.109 108 HB2 HIS 15 HB2 HIS 15 42.754 13.985 0.696 109 HB3 HIS 15 HB1 HIS 15 42.292 13.395 -0.919 110 HD1 HIS 15 HD1 HIS 15 39.642 11.931 0.508 111 HD2 HIS 15 HD2 HIS 15 40.686 16.004 0.477 112 HE1 HIS 15 HE1 HIS 15 37.497 13.269 0.864 113 H ALA 16 HN ALA 16 44.345 12.475 1.865 114 HA ALA 16 HA ALA 16 45.987 10.323 0.871 115 HB1 ALA 16 HB1 ALA 16 45.866 11.610 -1.225 116 HB2 ALA 16 HB2 ALA 16 47.511 11.639 -0.546 117 HB3 ALA 16 HB3 ALA 16 46.450 13.058 -0.371 118 H GLY 17 HN GLY 17 45.328 13.130 2.680 119 HA2 GLY 17 HA1 GLY 17 47.274 12.516 4.670 120 HA3 GLY 17 HA2 GLY 17 47.907 13.825 3.650 121 H LYS 18 HN LYS 18 44.630 13.010 4.863 122 HA LYS 18 HA LYS 18 43.087 14.328 5.984 123 HB2 LYS 18 HB2 LYS 18 45.524 15.719 7.159 124 HB3 LYS 18 HB1 LYS 18 43.886 15.644 7.853 125 HG2 LYS 18 HG2 LYS 18 44.088 13.159 7.997 126 HG3 LYS 18 HG1 LYS 18 45.755 13.279 7.383 127 HD2 LYS 18 HD2 LYS 18 46.318 14.773 9.317 128 HD3 LYS 18 HD1 LYS 18 44.676 14.513 9.955 129 HE2 LYS 18 HE2 LYS 18 45.071 12.144 10.226 130 HE3 LYS 18 HE1 LYS 18 46.613 12.243 9.343 131 HZ1 LYS 18 HZ1 LYS 18 47.658 13.231 11.098 132 HZ2 LYS 18 HZ2 LYS 18 46.538 12.277 11.949 133 HZ3 LYS 18 HZ3 LYS 18 46.244 13.934 11.717 134 H ALA 19 HN ALA 19 43.356 15.108 3.432 135 HA ALA 19 HA ALA 19 43.108 16.913 1.993 136 HB1 ALA 19 HB1 ALA 19 41.167 17.261 3.509 137 HB2 ALA 19 HB2 ALA 19 41.800 18.784 2.838 138 HB3 ALA 19 HB3 ALA 19 42.177 18.324 4.517 139 H ALA 20 HN ALA 20 45.694 16.613 2.587 140 HA ALA 20 HA ALA 20 46.716 19.303 2.278 141 HB1 ALA 20 HB1 ALA 20 47.179 17.892 4.924 142 HB2 ALA 20 HB2 ALA 20 46.440 19.490 4.657 143 HB3 ALA 20 HB3 ALA 20 48.173 19.246 4.337 144 H LEU 21 HN LEU 21 46.829 15.989 2.001 145 HA LEU 21 HA LEU 21 48.423 14.513 1.180 146 HB2 LEU 21 HB2 LEU 21 49.300 17.157 -0.028 147 HB3 LEU 21 HB1 LEU 21 50.169 15.647 -0.383 148 HG LEU 21 HG LEU 21 48.146 14.625 -1.280 149 HD11 LEU 21 HD11 LEU 21 46.821 17.162 -0.244 150 HD12 LEU 21 HD12 LEU 21 46.395 15.469 0.102 151 HD13 LEU 21 HD13 LEU 21 46.067 16.155 -1.504 152 HD21 LEU 21 HD21 LEU 21 48.518 17.477 -2.305 153 HD22 LEU 21 HD22 LEU 21 47.737 16.152 -3.201 154 HD23 LEU 21 HD23 LEU 21 49.469 16.056 -2.801 155 H THR 22 HN THR 22 50.932 16.928 1.103 156 HA THR 22 HA THR 22 52.517 15.359 3.023 157 HB THR 22 HB THR 22 54.319 16.941 2.501 158 HG1 THR 22 HG1 THR 22 53.917 18.744 1.293 159 HG21 THR 22 HG21 THR 22 54.543 16.466 0.145 160 HG22 THR 22 HG22 THR 22 52.780 16.326 -0.050 161 HG23 THR 22 HG23 THR 22 53.673 15.097 0.877 162 H HIS 23 HN HIS 23 50.189 16.397 4.226 163 HA HIS 23 HA HIS 23 49.501 17.670 6.045 164 HB2 HIS 23 HB2 HIS 23 52.451 17.622 6.783 165 HB3 HIS 23 HB1 HIS 23 51.065 17.810 7.885 166 HD1 HIS 23 HD1 HIS 23 52.064 15.274 5.152 167 HD2 HIS 23 HD2 HIS 23 50.405 15.388 9.014 168 HE1 HIS 23 HE1 HIS 23 51.672 12.857 5.884 169 H TYR 24 HN TYR 24 50.666 19.655 7.567 170 HA TYR 24 HA TYR 24 50.321 21.940 5.836 171 HB2 TYR 24 HB2 TYR 24 51.367 21.661 8.680 172 HB3 TYR 24 HB1 TYR 24 51.086 23.223 7.876 173 HD1 TYR 24 HD1 TYR 24 49.496 20.199 9.299 174 HD2 TYR 24 HD2 TYR 24 48.812 23.974 7.321 175 HE1 TYR 24 HE1 TYR 24 47.077 20.067 9.881 176 HE2 TYR 24 HE2 TYR 24 46.394 23.842 7.902 177 HH TYR 24 HH TYR 24 44.785 21.278 8.906 178 H LEU 25 HN LEU 25 53.082 21.829 8.026 179 HA LEU 25 HA LEU 25 54.801 23.181 6.208 180 HB2 LEU 25 HB2 LEU 25 54.943 22.725 8.822 181 HB3 LEU 25 HB1 LEU 25 55.913 21.321 8.330 182 HG LEU 25 HG LEU 25 56.457 24.252 7.667 183 HD11 LEU 25 HD11 LEU 25 58.134 22.227 9.206 184 HD12 LEU 25 HD12 LEU 25 57.015 23.370 9.987 185 HD13 LEU 25 HD13 LEU 25 58.410 23.979 9.065 186 HD21 LEU 25 HD21 LEU 25 57.134 23.028 5.725 187 HD22 LEU 25 HD22 LEU 25 57.750 21.669 6.698 188 HD23 LEU 25 HD23 LEU 25 58.617 23.223 6.684 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 58.816 -3.629 -7.929 2 H2 GLY 1 HT2 GLY 1 59.572 -2.944 -6.570 3 H3 GLY 1 HT3 GLY 1 59.205 -4.603 -6.598 4 HA2 GLY 1 HA1 GLY 1 61.421 -3.169 -7.694 5 HA3 GLY 1 HA2 GLY 1 61.289 -4.863 -7.185 6 H TRP 2 HN TRP 2 61.703 -6.215 -8.783 7 HA TRP 2 HA TRP 2 61.538 -5.402 -11.560 8 HB2 TRP 2 HB2 TRP 2 61.722 -8.231 -10.463 9 HB3 TRP 2 HB1 TRP 2 62.243 -7.650 -12.063 10 HD1 TRP 2 HD1 TRP 2 63.174 -7.472 -8.345 11 HE1 TRP 2 HE1 TRP 2 65.649 -6.709 -8.106 12 HE3 TRP 2 HE3 TRP 2 64.159 -6.379 -13.249 13 HZ2 TRP 2 HZ2 TRP 2 67.747 -5.758 -9.836 14 HZ3 TRP 2 HZ3 TRP 2 66.404 -5.547 -13.932 15 HH2 TRP 2 HH2 TRP 2 68.197 -5.236 -12.231 16 H GLY 3 HN GLY 3 59.980 -5.676 -13.055 17 HA2 GLY 3 HA1 GLY 3 57.987 -6.415 -14.002 18 HA3 GLY 3 HA2 GLY 3 57.813 -7.590 -12.682 19 H SER 4 HN SER 4 57.304 -6.549 -10.478 20 HA SER 4 HA SER 4 54.764 -5.350 -10.618 21 HB2 SER 4 HB2 SER 4 55.055 -4.826 -8.239 22 HB3 SER 4 HB1 SER 4 55.713 -6.438 -8.599 23 HG SER 4 HG SER 4 56.991 -4.086 -7.858 24 H PHE 5 HN PHE 5 54.129 -3.185 -9.711 25 HA PHE 5 HA PHE 5 56.014 -0.988 -9.927 26 HB2 PHE 5 HB2 PHE 5 55.728 -1.514 -12.342 27 HB3 PHE 5 HB1 PHE 5 53.973 -1.274 -12.167 28 HD1 PHE 5 HD1 PHE 5 53.018 0.943 -11.990 29 HD2 PHE 5 HD2 PHE 5 57.301 0.402 -11.982 30 HE1 PHE 5 HE1 PHE 5 53.329 3.398 -12.281 31 HE2 PHE 5 HE2 PHE 5 57.611 2.857 -12.272 32 HZ PHE 5 HZ PHE 5 55.625 4.360 -12.378 33 H PHE 6 HN PHE 6 52.908 -2.384 -9.403 34 HA PHE 6 HA PHE 6 51.348 -0.022 -9.011 35 HB2 PHE 6 HB2 PHE 6 49.969 -1.522 -7.498 36 HB3 PHE 6 HB1 PHE 6 50.247 -2.156 -9.138 37 HD1 PHE 6 HD1 PHE 6 51.085 -2.514 -5.552 38 HD2 PHE 6 HD2 PHE 6 51.792 -4.027 -9.531 39 HE1 PHE 6 HE1 PHE 6 52.148 -4.551 -4.588 40 HE2 PHE 6 HE2 PHE 6 52.857 -6.063 -8.568 41 HZ PHE 6 HZ PHE 6 53.098 -6.291 -6.098 42 H LYS 7 HN LYS 7 50.521 0.775 -6.903 43 HA LYS 7 HA LYS 7 50.949 1.835 -4.891 44 HB2 LYS 7 HB2 LYS 7 51.031 -0.572 -4.130 45 HB3 LYS 7 HB1 LYS 7 52.800 -0.509 -4.313 46 HG2 LYS 7 HG2 LYS 7 52.911 1.374 -2.715 47 HG3 LYS 7 HG1 LYS 7 51.139 1.340 -2.543 48 HD2 LYS 7 HD2 LYS 7 51.217 -0.906 -1.603 49 HD3 LYS 7 HD1 LYS 7 52.968 -1.018 -1.916 50 HE2 LYS 7 HE2 LYS 7 51.684 1.075 -0.110 51 HE3 LYS 7 HE1 LYS 7 52.405 -0.443 0.475 52 HZ1 LYS 7 HZ1 LYS 7 53.691 1.975 -0.245 53 HZ2 LYS 7 HZ2 LYS 7 54.254 0.718 -1.242 54 HZ3 LYS 7 HZ3 LYS 7 54.358 0.577 0.449 55 H LYS 8 HN LYS 8 52.024 3.684 -4.948 56 HA LYS 8 HA LYS 8 54.923 3.701 -4.636 57 HB2 LYS 8 HB2 LYS 8 55.438 4.935 -6.708 58 HB3 LYS 8 HB1 LYS 8 54.792 3.315 -7.073 59 HG2 LYS 8 HG2 LYS 8 52.489 4.410 -7.272 60 HG3 LYS 8 HG1 LYS 8 53.326 5.979 -7.214 61 HD2 LYS 8 HD2 LYS 8 53.870 3.764 -9.243 62 HD3 LYS 8 HD1 LYS 8 52.916 5.231 -9.556 63 HE2 LYS 8 HE2 LYS 8 55.043 5.835 -10.373 64 HE3 LYS 8 HE1 LYS 8 55.084 6.499 -8.724 65 HZ1 LYS 8 HZ1 LYS 8 55.953 4.015 -8.295 66 HZ2 LYS 8 HZ2 LYS 8 56.985 5.320 -8.633 67 HZ3 LYS 8 HZ3 LYS 8 56.532 4.248 -9.871 68 H ALA 9 HN ALA 9 52.451 4.669 -3.349 69 HA ALA 9 HA ALA 9 53.386 7.336 -2.719 70 HB1 ALA 9 HB1 ALA 9 51.468 8.608 -3.537 71 HB2 ALA 9 HB2 ALA 9 50.776 7.137 -4.261 72 HB3 ALA 9 HB3 ALA 9 52.297 7.812 -4.895 73 H ALA 10 HN ALA 10 51.020 8.452 -1.750 74 HA ALA 10 HA ALA 10 49.467 6.533 -0.244 75 HB1 ALA 10 HB1 ALA 10 51.476 6.189 1.037 76 HB2 ALA 10 HB2 ALA 10 50.367 7.179 2.016 77 HB3 ALA 10 HB3 ALA 10 51.744 7.942 1.184 78 H HIS 11 HN HIS 11 50.562 9.340 1.485 79 HA HIS 11 HA HIS 11 49.447 11.281 2.078 80 HB2 HIS 11 HB2 HIS 11 48.421 11.150 -0.786 81 HB3 HIS 11 HB1 HIS 11 48.431 12.587 0.263 82 HD1 HIS 11 HD1 HIS 11 50.017 12.470 -2.454 83 HD2 HIS 11 HD2 HIS 11 51.664 11.604 1.319 84 HE1 HIS 11 HE1 HIS 11 52.539 12.838 -2.621 85 H ALA 12 HN ALA 12 46.966 10.214 -0.257 86 HA ALA 12 HA ALA 12 44.701 9.834 0.067 87 HB1 ALA 12 HB1 ALA 12 45.764 8.528 2.596 88 HB2 ALA 12 HB2 ALA 12 45.540 7.747 1.012 89 HB3 ALA 12 HB3 ALA 12 44.127 8.308 1.937 90 H GLY 13 HN GLY 13 45.511 12.402 0.768 91 HA2 GLY 13 HA1 GLY 13 43.301 13.285 2.313 92 HA3 GLY 13 HA2 GLY 13 44.709 13.200 3.390 93 H LYS 14 HN LYS 14 46.716 14.309 2.614 94 HA LYS 14 HA LYS 14 46.419 16.396 0.606 95 HB2 LYS 14 HB2 LYS 14 45.103 17.511 2.298 96 HB3 LYS 14 HB1 LYS 14 46.294 17.128 3.558 97 HG2 LYS 14 HG2 LYS 14 46.390 19.514 2.719 98 HG3 LYS 14 HG1 LYS 14 47.927 18.635 2.575 99 HD2 LYS 14 HD2 LYS 14 47.672 18.345 0.220 100 HD3 LYS 14 HD1 LYS 14 45.940 18.754 0.272 101 HE2 LYS 14 HE2 LYS 14 48.221 20.681 0.904 102 HE3 LYS 14 HE1 LYS 14 47.327 20.623 -0.633 103 HZ1 LYS 14 HZ1 LYS 14 46.373 21.434 2.044 104 HZ2 LYS 14 HZ2 LYS 14 45.272 20.866 0.880 105 HZ3 LYS 14 HZ3 LYS 14 46.216 22.242 0.560 106 H HIS 15 HN HIS 15 48.118 15.707 3.707 107 HA HIS 15 HA HIS 15 50.644 15.298 2.273 108 HB2 HIS 15 HB2 HIS 15 50.525 17.781 2.356 109 HB3 HIS 15 HB1 HIS 15 50.373 17.696 4.127 110 HD1 HIS 15 HD1 HIS 15 52.587 18.445 5.030 111 HD2 HIS 15 HD2 HIS 15 52.997 15.731 1.841 112 HE1 HIS 15 HE1 HIS 15 55.076 17.921 4.790 113 H ALA 16 HN ALA 16 48.545 14.528 4.600 114 HA ALA 16 HA ALA 16 50.491 12.939 6.051 115 HB1 ALA 16 HB1 ALA 16 49.133 15.157 7.618 116 HB2 ALA 16 HB2 ALA 16 50.834 15.200 7.093 117 HB3 ALA 16 HB3 ALA 16 50.284 13.948 8.234 118 H GLY 17 HN GLY 17 47.262 14.380 5.840 119 HA2 GLY 17 HA1 GLY 17 45.196 13.314 5.943 120 HA3 GLY 17 HA2 GLY 17 46.029 11.759 6.134 121 H LYS 18 HN LYS 18 47.235 11.598 8.347 122 HA LYS 18 HA LYS 18 45.265 11.500 10.371 123 HB2 LYS 18 HB2 LYS 18 47.490 10.281 10.307 124 HB3 LYS 18 HB1 LYS 18 48.257 11.799 10.830 125 HG2 LYS 18 HG2 LYS 18 46.936 11.825 12.879 126 HG3 LYS 18 HG1 LYS 18 45.997 10.412 12.339 127 HD2 LYS 18 HD2 LYS 18 48.000 9.009 12.386 128 HD3 LYS 18 HD1 LYS 18 49.012 10.415 12.795 129 HE2 LYS 18 HE2 LYS 18 48.412 9.001 14.791 130 HE3 LYS 18 HE1 LYS 18 47.864 10.688 14.927 131 HZ1 LYS 18 HZ1 LYS 18 46.175 8.969 15.534 132 HZ2 LYS 18 HZ2 LYS 18 46.147 8.487 13.906 133 HZ3 LYS 18 HZ3 LYS 18 45.671 10.059 14.337 134 H ALA 19 HN ALA 19 47.013 14.189 9.125 135 HA ALA 19 HA ALA 19 45.605 16.032 10.838 136 HB1 ALA 19 HB1 ALA 19 48.525 15.507 11.471 137 HB2 ALA 19 HB2 ALA 19 47.131 15.365 12.570 138 HB3 ALA 19 HB3 ALA 19 47.647 16.966 11.986 139 H ALA 20 HN ALA 20 45.145 16.774 8.702 140 HA ALA 20 HA ALA 20 46.848 18.939 7.884 141 HB1 ALA 20 HB1 ALA 20 46.989 16.392 6.242 142 HB2 ALA 20 HB2 ALA 20 48.336 17.305 6.963 143 HB3 ALA 20 HB3 ALA 20 47.422 17.993 5.599 144 H LEU 21 HN LEU 21 45.335 16.868 5.475 145 HA LEU 21 HA LEU 21 43.521 17.289 4.086 146 HB2 LEU 21 HB2 LEU 21 42.452 18.009 6.835 147 HB3 LEU 21 HB1 LEU 21 41.417 18.094 5.391 148 HG LEU 21 HG LEU 21 41.774 15.734 4.919 149 HD11 LEU 21 HD11 LEU 21 43.111 14.375 6.675 150 HD12 LEU 21 HD12 LEU 21 43.797 15.938 7.186 151 HD13 LEU 21 HD13 LEU 21 44.050 15.351 5.524 152 HD21 LEU 21 HD21 LEU 21 40.068 16.423 6.654 153 HD22 LEU 21 HD22 LEU 21 41.276 16.064 7.911 154 HD23 LEU 21 HD23 LEU 21 40.672 14.762 6.859 155 H THR 22 HN THR 22 42.471 19.902 6.192 156 HA THR 22 HA THR 22 43.790 22.026 4.731 157 HB THR 22 HB THR 22 42.228 21.347 2.932 158 HG1 THR 22 HG1 THR 22 41.335 23.713 4.227 159 HG21 THR 22 HG21 THR 22 40.529 20.371 4.564 160 HG22 THR 22 HG22 THR 22 39.842 21.354 3.249 161 HG23 THR 22 HG23 THR 22 39.998 22.040 4.883 162 H HIS 23 HN HIS 23 42.804 20.954 7.448 163 HA HIS 23 HA HIS 23 40.881 22.843 8.451 164 HB2 HIS 23 HB2 HIS 23 41.432 20.711 9.587 165 HB3 HIS 23 HB1 HIS 23 43.064 21.331 9.942 166 HD1 HIS 23 HD1 HIS 23 43.322 22.506 12.127 167 HD2 HIS 23 HD2 HIS 23 39.337 22.530 10.780 168 HE1 HIS 23 HE1 HIS 23 41.915 23.637 13.935 169 H TYR 24 HN TYR 24 44.386 22.654 9.234 170 HA TYR 24 HA TYR 24 44.586 25.224 10.368 171 HB2 TYR 24 HB2 TYR 24 46.733 23.833 8.722 172 HB3 TYR 24 HB1 TYR 24 46.974 25.039 10.009 173 HD1 TYR 24 HD1 TYR 24 46.207 21.520 9.248 174 HD2 TYR 24 HD2 TYR 24 46.470 24.477 12.381 175 HE1 TYR 24 HE1 TYR 24 46.197 19.708 10.960 176 HE2 TYR 24 HE2 TYR 24 46.461 22.665 14.092 177 HH TYR 24 HH TYR 24 45.600 20.203 14.179 178 H LEU 25 HN LEU 25 44.614 27.251 9.628 179 HA LEU 25 HA LEU 25 43.981 27.753 6.845 180 HB2 LEU 25 HB2 LEU 25 44.994 29.835 8.809 181 HB3 LEU 25 HB1 LEU 25 43.847 30.037 7.462 182 HG LEU 25 HG LEU 25 43.367 28.502 10.055 183 HD11 LEU 25 HD11 LEU 25 41.664 30.228 10.444 184 HD12 LEU 25 HD12 LEU 25 42.038 30.982 8.876 185 HD13 LEU 25 HD13 LEU 25 43.247 30.996 10.181 186 HD21 LEU 25 HD21 LEU 25 41.727 28.768 7.500 187 HD22 LEU 25 HD22 LEU 25 40.990 28.338 9.062 188 HD23 LEU 25 HD23 LEU 25 42.219 27.278 8.339 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 53.262 5.976 -13.265 2 H2 GLY 1 HT2 GLY 1 52.447 5.504 -11.849 3 H3 GLY 1 HT3 GLY 1 52.384 4.526 -13.237 4 HA2 GLY 1 HA1 GLY 1 53.936 3.932 -11.303 5 HA3 GLY 1 HA2 GLY 1 54.449 3.728 -12.989 6 H TRP 2 HN TRP 2 55.120 5.161 -9.978 7 HA TRP 2 HA TRP 2 57.627 6.245 -10.966 8 HB2 TRP 2 HB2 TRP 2 57.198 8.611 -10.368 9 HB3 TRP 2 HB1 TRP 2 56.158 8.072 -11.709 10 HD1 TRP 2 HD1 TRP 2 53.585 7.899 -11.282 11 HE1 TRP 2 HE1 TRP 2 52.010 8.680 -9.366 12 HE3 TRP 2 HE3 TRP 2 57.108 8.955 -7.722 13 HZ2 TRP 2 HZ2 TRP 2 52.277 9.630 -6.660 14 HZ3 TRP 2 HZ3 TRP 2 56.425 9.797 -5.480 15 HH2 TRP 2 HH2 TRP 2 54.016 10.135 -4.946 16 H GLY 3 HN GLY 3 55.144 6.130 -8.425 17 HA2 GLY 3 HA1 GLY 3 57.039 6.735 -6.287 18 HA3 GLY 3 HA2 GLY 3 55.362 6.186 -6.106 19 H SER 4 HN SER 4 58.276 4.771 -7.659 20 HA SER 4 HA SER 4 59.157 2.632 -7.462 21 HB2 SER 4 HB2 SER 4 59.727 3.704 -5.220 22 HB3 SER 4 HB1 SER 4 58.335 2.832 -4.544 23 HG SER 4 HG SER 4 60.803 1.901 -5.424 24 H PHE 5 HN PHE 5 58.396 0.617 -5.472 25 HA PHE 5 HA PHE 5 56.236 -0.608 -7.003 26 HB2 PHE 5 HB2 PHE 5 58.098 -1.914 -6.016 27 HB3 PHE 5 HB1 PHE 5 57.536 -1.471 -4.386 28 HD1 PHE 5 HD1 PHE 5 56.310 -3.006 -7.603 29 HD2 PHE 5 HD2 PHE 5 55.944 -2.857 -3.303 30 HE1 PHE 5 HE1 PHE 5 54.686 -4.894 -7.674 31 HE2 PHE 5 HE2 PHE 5 54.319 -4.744 -3.378 32 HZ PHE 5 HZ PHE 5 53.750 -5.811 -5.555 33 H PHE 6 HN PHE 6 56.548 0.134 -3.492 34 HA PHE 6 HA PHE 6 53.862 -0.281 -2.801 35 HB2 PHE 6 HB2 PHE 6 55.617 1.930 -1.672 36 HB3 PHE 6 HB1 PHE 6 54.286 1.075 -0.854 37 HD1 PHE 6 HD1 PHE 6 57.787 0.852 -2.024 38 HD2 PHE 6 HD2 PHE 6 54.549 -1.254 -0.100 39 HE1 PHE 6 HE1 PHE 6 59.384 -0.900 -1.256 40 HE2 PHE 6 HE2 PHE 6 56.144 -3.007 0.668 41 HZ PHE 6 HZ PHE 6 58.559 -2.839 0.076 42 H LYS 7 HN LYS 7 51.979 0.717 -3.134 43 HA LYS 7 HA LYS 7 51.888 2.981 -4.967 44 HB2 LYS 7 HB2 LYS 7 49.693 1.662 -3.315 45 HB3 LYS 7 HB1 LYS 7 49.442 2.814 -4.650 46 HG2 LYS 7 HG2 LYS 7 50.693 1.238 -6.166 47 HG3 LYS 7 HG1 LYS 7 50.744 0.064 -4.830 48 HD2 LYS 7 HD2 LYS 7 48.269 0.068 -4.724 49 HD3 LYS 7 HD1 LYS 7 48.214 1.241 -6.061 50 HE2 LYS 7 HE2 LYS 7 47.859 -1.069 -6.888 51 HE3 LYS 7 HE1 LYS 7 49.364 -0.377 -7.538 52 HZ1 LYS 7 HZ1 LYS 7 50.552 -1.940 -6.529 53 HZ2 LYS 7 HZ2 LYS 7 49.100 -2.741 -6.157 54 HZ3 LYS 7 HZ3 LYS 7 49.797 -1.673 -5.033 55 H LYS 8 HN LYS 8 49.477 3.336 -2.606 56 HA LYS 8 HA LYS 8 50.251 6.002 -1.953 57 HB2 LYS 8 HB2 LYS 8 48.421 4.064 -0.482 58 HB3 LYS 8 HB1 LYS 8 48.534 5.808 -0.148 59 HG2 LYS 8 HG2 LYS 8 47.794 6.352 -2.401 60 HG3 LYS 8 HG1 LYS 8 47.851 4.636 -2.876 61 HD2 LYS 8 HD2 LYS 8 46.054 4.082 -1.337 62 HD3 LYS 8 HD1 LYS 8 46.078 5.724 -0.649 63 HE2 LYS 8 HE2 LYS 8 44.223 5.453 -2.280 64 HE3 LYS 8 HE1 LYS 8 45.404 6.664 -2.832 65 HZ1 LYS 8 HZ1 LYS 8 44.649 4.945 -4.513 66 HZ2 LYS 8 HZ2 LYS 8 45.567 3.813 -3.640 67 HZ3 LYS 8 HZ3 LYS 8 46.324 5.157 -4.352 68 H ALA 9 HN ALA 9 51.765 6.781 -0.645 69 HA ALA 9 HA ALA 9 53.585 5.188 0.792 70 HB1 ALA 9 HB1 ALA 9 52.726 8.032 1.429 71 HB2 ALA 9 HB2 ALA 9 53.933 7.567 0.206 72 HB3 ALA 9 HB3 ALA 9 54.245 7.251 1.929 73 H ALA 10 HN ALA 10 51.017 7.233 2.265 74 HA ALA 10 HA ALA 10 50.076 5.135 3.996 75 HB1 ALA 10 HB1 ALA 10 52.175 5.331 5.150 76 HB2 ALA 10 HB2 ALA 10 50.938 6.131 6.148 77 HB3 ALA 10 HB3 ALA 10 52.062 7.106 5.170 78 H HIS 11 HN HIS 11 48.351 6.336 2.715 79 HA HIS 11 HA HIS 11 47.588 8.992 3.266 80 HB2 HIS 11 HB2 HIS 11 45.297 8.267 2.652 81 HB3 HIS 11 HB1 HIS 11 46.520 7.613 1.536 82 HD1 HIS 11 HD1 HIS 11 43.823 6.624 3.867 83 HD2 HIS 11 HD2 HIS 11 47.205 4.795 2.160 84 HE1 HIS 11 HE1 HIS 11 43.546 4.099 4.147 85 H ALA 12 HN ALA 12 47.763 9.702 5.345 86 HA ALA 12 HA ALA 12 46.659 8.161 7.576 87 HB1 ALA 12 HB1 ALA 12 48.636 9.720 7.714 88 HB2 ALA 12 HB2 ALA 12 47.375 10.004 8.939 89 HB3 ALA 12 HB3 ALA 12 47.500 11.074 7.522 90 H GLY 13 HN GLY 13 44.849 8.950 5.315 91 HA2 GLY 13 HA1 GLY 13 42.610 9.749 6.976 92 HA3 GLY 13 HA2 GLY 13 43.139 11.066 5.912 93 H LYS 14 HN LYS 14 42.686 11.024 3.758 94 HA LYS 14 HA LYS 14 41.546 8.539 2.571 95 HB2 LYS 14 HB2 LYS 14 40.004 11.166 2.680 96 HB3 LYS 14 HB1 LYS 14 39.512 9.694 1.810 97 HG2 LYS 14 HG2 LYS 14 39.637 8.473 4.058 98 HG3 LYS 14 HG1 LYS 14 39.794 10.076 4.816 99 HD2 LYS 14 HD2 LYS 14 37.659 10.765 3.673 100 HD3 LYS 14 HD1 LYS 14 37.481 9.092 3.093 101 HE2 LYS 14 HE2 LYS 14 37.567 8.306 5.476 102 HE3 LYS 14 HE1 LYS 14 37.594 10.007 5.999 103 HZ1 LYS 14 HZ1 LYS 14 35.511 9.732 4.170 104 HZ2 LYS 14 HZ2 LYS 14 35.398 10.014 5.841 105 HZ3 LYS 14 HZ3 LYS 14 35.381 8.425 5.242 106 H HIS 15 HN HIS 15 43.657 8.823 1.494 107 HA HIS 15 HA HIS 15 45.022 9.666 -0.204 108 HB2 HIS 15 HB2 HIS 15 43.820 9.805 -2.402 109 HB3 HIS 15 HB1 HIS 15 43.468 8.322 -1.484 110 HD1 HIS 15 HD1 HIS 15 41.936 11.554 -2.687 111 HD2 HIS 15 HD2 HIS 15 40.819 8.245 -0.346 112 HE1 HIS 15 HE1 HIS 15 39.395 11.628 -2.427 113 H ALA 16 HN ALA 16 45.677 11.633 0.765 114 HA ALA 16 HA ALA 16 45.869 13.944 0.906 115 HB1 ALA 16 HB1 ALA 16 46.547 13.691 -1.403 116 HB2 ALA 16 HB2 ALA 16 45.537 15.150 -1.261 117 HB3 ALA 16 HB3 ALA 16 44.852 13.654 -1.941 118 H GLY 17 HN GLY 17 43.901 13.527 2.433 119 HA2 GLY 17 HA1 GLY 17 41.315 14.440 1.528 120 HA3 GLY 17 HA2 GLY 17 41.839 14.244 3.213 121 H LYS 18 HN LYS 18 41.978 16.398 0.379 122 HA LYS 18 HA LYS 18 42.085 18.707 0.256 123 HB2 LYS 18 HB2 LYS 18 41.304 18.803 3.188 124 HB3 LYS 18 HB1 LYS 18 40.965 19.996 1.911 125 HG2 LYS 18 HG2 LYS 18 39.625 18.158 0.727 126 HG3 LYS 18 HG1 LYS 18 39.769 17.214 2.227 127 HD2 LYS 18 HD2 LYS 18 38.500 19.972 1.926 128 HD3 LYS 18 HD1 LYS 18 37.651 18.442 2.245 129 HE2 LYS 18 HE2 LYS 18 39.483 20.012 4.085 130 HE3 LYS 18 HE1 LYS 18 37.832 19.424 4.392 131 HZ1 LYS 18 HZ1 LYS 18 38.960 17.812 5.469 132 HZ2 LYS 18 HZ2 LYS 18 40.378 18.007 4.553 133 HZ3 LYS 18 HZ3 LYS 18 39.069 17.127 3.920 134 H ALA 19 HN ALA 19 44.485 17.813 0.303 135 HA ALA 19 HA ALA 19 46.675 18.316 0.845 136 HB1 ALA 19 HB1 ALA 19 45.698 20.658 0.582 137 HB2 ALA 19 HB2 ALA 19 47.184 20.525 1.551 138 HB3 ALA 19 HB3 ALA 19 45.609 20.716 2.358 139 H ALA 20 HN ALA 20 45.119 16.589 2.604 140 HA ALA 20 HA ALA 20 45.827 17.246 5.355 141 HB1 ALA 20 HB1 ALA 20 44.858 14.727 3.972 142 HB2 ALA 20 HB2 ALA 20 43.943 15.825 5.034 143 HB3 ALA 20 HB3 ALA 20 45.221 14.788 5.713 144 H LEU 21 HN LEU 21 46.907 14.563 3.212 145 HA LEU 21 HA LEU 21 49.099 13.759 4.777 146 HB2 LEU 21 HB2 LEU 21 48.316 12.447 2.882 147 HB3 LEU 21 HB1 LEU 21 48.738 13.751 1.752 148 HG LEU 21 HG LEU 21 51.124 13.460 2.227 149 HD11 LEU 21 HD11 LEU 21 51.260 12.885 4.528 150 HD12 LEU 21 HD12 LEU 21 51.736 11.387 3.700 151 HD13 LEU 21 HD13 LEU 21 50.092 11.554 4.361 152 HD21 LEU 21 HD21 LEU 21 49.967 11.968 0.556 153 HD22 LEU 21 HD22 LEU 21 49.813 10.736 1.832 154 HD23 LEU 21 HD23 LEU 21 51.425 11.239 1.271 155 H THR 22 HN THR 22 48.821 16.380 2.401 156 HA THR 22 HA THR 22 51.527 17.041 2.049 157 HB THR 22 HB THR 22 49.228 19.017 2.404 158 HG1 THR 22 HG1 THR 22 50.123 18.280 -0.102 159 HG21 THR 22 HG21 THR 22 50.675 20.352 0.784 160 HG22 THR 22 HG22 THR 22 51.974 19.178 1.105 161 HG23 THR 22 HG23 THR 22 51.332 20.182 2.428 162 H HIS 23 HN HIS 23 49.290 18.352 4.546 163 HA HIS 23 HA HIS 23 51.464 19.690 5.951 164 HB2 HIS 23 HB2 HIS 23 48.608 19.039 6.780 165 HB3 HIS 23 HB1 HIS 23 49.724 20.078 7.699 166 HD1 HIS 23 HD1 HIS 23 46.943 20.736 5.909 167 HD2 HIS 23 HD2 HIS 23 50.928 21.897 5.239 168 HE1 HIS 23 HE1 HIS 23 46.892 22.787 4.389 169 H TYR 24 HN TYR 24 49.208 17.166 7.154 170 HA TYR 24 HA TYR 24 51.058 16.352 9.224 171 HB2 TYR 24 HB2 TYR 24 48.618 14.927 8.090 172 HB3 TYR 24 HB1 TYR 24 49.446 14.524 9.613 173 HD1 TYR 24 HD1 TYR 24 47.193 16.888 7.912 174 HD2 TYR 24 HD2 TYR 24 49.412 16.107 11.530 175 HE1 TYR 24 HE1 TYR 24 45.863 18.626 9.103 176 HE2 TYR 24 HE2 TYR 24 48.083 17.846 12.720 177 HH TYR 24 HH TYR 24 45.301 19.306 11.471 178 H LEU 25 HN LEU 25 52.668 14.927 9.210 179 HA LEU 25 HA LEU 25 54.242 13.473 8.309 180 HB2 LEU 25 HB2 LEU 25 51.912 11.986 7.053 181 HB3 LEU 25 HB1 LEU 25 53.408 11.328 7.762 182 HG LEU 25 HG LEU 25 51.118 12.677 9.261 183 HD11 LEU 25 HD11 LEU 25 52.225 9.846 9.468 184 HD12 LEU 25 HD12 LEU 25 50.824 10.284 8.461 185 HD13 LEU 25 HD13 LEU 25 50.750 10.489 10.228 186 HD21 LEU 25 HD21 LEU 25 53.867 11.712 10.158 187 HD22 LEU 25 HD22 LEU 25 52.512 11.920 11.292 188 HD23 LEU 25 HD23 LEU 25 53.140 13.319 10.391 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 61.684 4.019 -6.586 2 H2 GLY 1 HT2 GLY 1 60.514 2.786 -6.566 3 H3 GLY 1 HT3 GLY 1 60.623 3.841 -7.894 4 HA2 GLY 1 HA1 GLY 1 63.105 2.856 -7.743 5 HA3 GLY 1 HA2 GLY 1 62.091 1.474 -7.282 6 H TRP 2 HN TRP 2 63.481 1.137 -9.512 7 HA TRP 2 HA TRP 2 62.485 2.121 -11.947 8 HB2 TRP 2 HB2 TRP 2 64.471 0.657 -11.734 9 HB3 TRP 2 HB1 TRP 2 63.409 -0.717 -11.342 10 HD1 TRP 2 HD1 TRP 2 63.456 1.976 -14.148 11 HE1 TRP 2 HE1 TRP 2 63.020 0.813 -16.432 12 HE3 TRP 2 HE3 TRP 2 62.978 -2.851 -12.515 13 HZ2 TRP 2 HZ2 TRP 2 62.532 -1.861 -17.386 14 HZ3 TRP 2 HZ3 TRP 2 62.528 -4.693 -14.130 15 HH2 TRP 2 HH2 TRP 2 62.304 -4.202 -16.562 16 H GLY 3 HN GLY 3 61.604 -1.089 -10.589 17 HA2 GLY 3 HA1 GLY 3 59.305 -1.359 -12.278 18 HA3 GLY 3 HA2 GLY 3 59.659 -2.317 -10.826 19 H SER 4 HN SER 4 59.836 0.533 -9.481 20 HA SER 4 HA SER 4 58.388 1.688 -8.079 21 HB2 SER 4 HB2 SER 4 56.528 2.761 -9.151 22 HB3 SER 4 HB1 SER 4 57.804 2.603 -10.378 23 HG SER 4 HG SER 4 55.477 1.881 -10.816 24 H PHE 5 HN PHE 5 55.948 1.752 -7.284 25 HA PHE 5 HA PHE 5 54.650 -0.893 -7.282 26 HB2 PHE 5 HB2 PHE 5 55.899 0.216 -4.734 27 HB3 PHE 5 HB1 PHE 5 54.813 -1.191 -4.829 28 HD1 PHE 5 HD1 PHE 5 55.519 -3.235 -6.119 29 HD2 PHE 5 HD2 PHE 5 58.227 0.036 -5.339 30 HE1 PHE 5 HE1 PHE 5 57.454 -4.706 -6.666 31 HE2 PHE 5 HE2 PHE 5 60.161 -1.436 -5.886 32 HZ PHE 5 HZ PHE 5 59.778 -3.824 -6.488 33 H PHE 6 HN PHE 6 52.557 -0.472 -7.381 34 HA PHE 6 HA PHE 6 51.420 2.093 -7.026 35 HB2 PHE 6 HB2 PHE 6 50.072 -0.620 -6.710 36 HB3 PHE 6 HB1 PHE 6 49.249 0.930 -7.009 37 HD1 PHE 6 HD1 PHE 6 51.379 -1.718 -8.466 38 HD2 PHE 6 HD2 PHE 6 49.444 2.073 -9.180 39 HE1 PHE 6 HE1 PHE 6 51.749 -1.991 -10.915 40 HE2 PHE 6 HE2 PHE 6 49.815 1.801 -11.630 41 HZ PHE 6 HZ PHE 6 51.013 -0.206 -12.492 42 H LYS 7 HN LYS 7 49.257 2.004 -5.406 43 HA LYS 7 HA LYS 7 49.938 1.103 -2.717 44 HB2 LYS 7 HB2 LYS 7 50.088 3.378 -1.716 45 HB3 LYS 7 HB1 LYS 7 51.446 3.028 -2.812 46 HG2 LYS 7 HG2 LYS 7 50.166 4.201 -4.652 47 HG3 LYS 7 HG1 LYS 7 48.968 4.691 -3.428 48 HD2 LYS 7 HD2 LYS 7 50.690 5.883 -2.159 49 HD3 LYS 7 HD1 LYS 7 51.950 5.316 -3.281 50 HE2 LYS 7 HE2 LYS 7 51.385 7.564 -3.947 51 HE3 LYS 7 HE1 LYS 7 50.656 6.473 -5.149 52 HZ1 LYS 7 HZ1 LYS 7 49.224 7.589 -2.789 53 HZ2 LYS 7 HZ2 LYS 7 48.550 6.661 -4.043 54 HZ3 LYS 7 HZ3 LYS 7 49.131 8.225 -4.358 55 H LYS 8 HN LYS 8 48.356 2.125 -1.082 56 HA LYS 8 HA LYS 8 45.873 3.195 -2.179 57 HB2 LYS 8 HB2 LYS 8 45.595 0.856 -2.875 58 HB3 LYS 8 HB1 LYS 8 45.925 0.306 -1.215 59 HG2 LYS 8 HG2 LYS 8 43.918 1.324 -0.375 60 HG3 LYS 8 HG1 LYS 8 43.668 2.237 -1.881 61 HD2 LYS 8 HD2 LYS 8 42.142 0.322 -1.833 62 HD3 LYS 8 HD1 LYS 8 43.358 0.081 -3.108 63 HE2 LYS 8 HE2 LYS 8 43.816 -1.041 -0.322 64 HE3 LYS 8 HE1 LYS 8 42.817 -1.919 -1.501 65 HZ1 LYS 8 HZ1 LYS 8 45.089 -1.089 -2.855 66 HZ2 LYS 8 HZ2 LYS 8 44.682 -2.671 -2.389 67 HZ3 LYS 8 HZ3 LYS 8 45.638 -1.703 -1.373 68 H ALA 9 HN ALA 9 46.179 0.863 0.491 69 HA ALA 9 HA ALA 9 45.229 2.929 2.376 70 HB1 ALA 9 HB1 ALA 9 45.115 1.093 3.966 71 HB2 ALA 9 HB2 ALA 9 46.023 0.037 2.860 72 HB3 ALA 9 HB3 ALA 9 44.388 0.586 2.423 73 H ALA 10 HN ALA 10 47.127 4.330 2.153 74 HA ALA 10 HA ALA 10 48.989 3.856 4.315 75 HB1 ALA 10 HB1 ALA 10 51.057 3.752 2.963 76 HB2 ALA 10 HB2 ALA 10 50.072 3.628 1.485 77 HB3 ALA 10 HB3 ALA 10 50.019 2.331 2.703 78 H HIS 11 HN HIS 11 47.696 5.920 4.538 79 HA HIS 11 HA HIS 11 47.572 8.238 4.417 80 HB2 HIS 11 HB2 HIS 11 50.556 7.824 3.979 81 HB3 HIS 11 HB1 HIS 11 49.800 9.397 4.335 82 HD1 HIS 11 HD1 HIS 11 47.617 7.726 6.264 83 HD2 HIS 11 HD2 HIS 11 51.802 7.948 6.603 84 HE1 HIS 11 HE1 HIS 11 48.211 7.239 8.703 85 H ALA 12 HN ALA 12 46.278 8.341 2.537 86 HA ALA 12 HA ALA 12 47.539 9.823 0.370 87 HB1 ALA 12 HB1 ALA 12 47.070 8.255 -1.432 88 HB2 ALA 12 HB2 ALA 12 46.430 7.067 -0.270 89 HB3 ALA 12 HB3 ALA 12 48.158 7.495 -0.247 90 H GLY 13 HN GLY 13 46.099 11.342 -0.068 91 HA2 GLY 13 HA1 GLY 13 44.064 12.364 -0.459 92 HA3 GLY 13 HA2 GLY 13 43.433 10.767 -0.905 93 H LYS 14 HN LYS 14 44.822 11.543 2.251 94 HA LYS 14 HA LYS 14 42.250 12.062 3.512 95 HB2 LYS 14 HB2 LYS 14 42.213 9.544 3.016 96 HB3 LYS 14 HB1 LYS 14 43.533 9.391 4.198 97 HG2 LYS 14 HG2 LYS 14 42.002 10.676 5.834 98 HG3 LYS 14 HG1 LYS 14 40.692 10.381 4.668 99 HD2 LYS 14 HD2 LYS 14 42.395 8.270 6.068 100 HD3 LYS 14 HD1 LYS 14 40.677 8.620 6.372 101 HE2 LYS 14 HE2 LYS 14 41.947 7.371 3.914 102 HE3 LYS 14 HE1 LYS 14 40.636 6.732 4.933 103 HZ1 LYS 14 HZ1 LYS 14 39.364 7.572 3.294 104 HZ2 LYS 14 HZ2 LYS 14 40.536 8.689 2.779 105 HZ3 LYS 14 HZ3 LYS 14 39.566 9.034 4.130 106 H HIS 15 HN HIS 15 42.462 12.742 5.644 107 HA HIS 15 HA HIS 15 43.597 13.744 7.398 108 HB2 HIS 15 HB2 HIS 15 45.421 11.346 6.960 109 HB3 HIS 15 HB1 HIS 15 45.490 12.423 8.374 110 HD1 HIS 15 HD1 HIS 15 43.738 9.477 7.004 111 HD2 HIS 15 HD2 HIS 15 42.908 12.445 9.865 112 HE1 HIS 15 HE1 HIS 15 41.819 8.619 8.457 113 H ALA 16 HN ALA 16 46.561 12.400 5.983 114 HA ALA 16 HA ALA 16 47.404 15.191 5.197 115 HB1 ALA 16 HB1 ALA 16 48.463 14.566 7.325 116 HB2 ALA 16 HB2 ALA 16 49.661 14.638 6.011 117 HB3 ALA 16 HB3 ALA 16 49.069 13.063 6.590 118 H GLY 17 HN GLY 17 46.326 13.904 3.225 119 HA2 GLY 17 HA1 GLY 17 48.139 12.027 1.910 120 HA3 GLY 17 HA2 GLY 17 46.664 12.744 1.232 121 H LYS 18 HN LYS 18 49.879 13.891 2.371 122 HA LYS 18 HA LYS 18 51.357 15.384 1.387 123 HB2 LYS 18 HB2 LYS 18 50.183 14.581 -1.296 124 HB3 LYS 18 HB1 LYS 18 51.849 15.078 -0.918 125 HG2 LYS 18 HG2 LYS 18 50.484 12.515 0.027 126 HG3 LYS 18 HG1 LYS 18 51.725 12.637 -1.243 127 HD2 LYS 18 HD2 LYS 18 53.228 13.731 0.554 128 HD3 LYS 18 HD1 LYS 18 52.031 13.156 1.740 129 HE2 LYS 18 HE2 LYS 18 52.318 10.830 0.822 130 HE3 LYS 18 HE1 LYS 18 53.626 11.446 -0.217 131 HZ1 LYS 18 HZ1 LYS 18 54.922 10.983 1.527 132 HZ2 LYS 18 HZ2 LYS 18 53.623 10.887 2.617 133 HZ3 LYS 18 HZ3 LYS 18 54.297 12.396 2.224 134 H ALA 19 HN ALA 19 50.027 17.081 2.386 135 HA ALA 19 HA ALA 19 48.962 19.134 2.271 136 HB1 ALA 19 HB1 ALA 19 49.402 20.513 0.370 137 HB2 ALA 19 HB2 ALA 19 49.633 19.100 -0.686 138 HB3 ALA 19 HB3 ALA 19 50.826 19.469 0.584 139 H ALA 20 HN ALA 20 47.365 16.773 1.967 140 HA ALA 20 HA ALA 20 45.411 17.301 -0.164 141 HB1 ALA 20 HB1 ALA 20 45.808 15.014 0.496 142 HB2 ALA 20 HB2 ALA 20 44.150 15.454 0.973 143 HB3 ALA 20 HB3 ALA 20 45.443 15.391 2.196 144 H LEU 21 HN LEU 21 44.469 16.604 3.168 145 HA LEU 21 HA LEU 21 42.420 18.697 3.044 146 HB2 LEU 21 HB2 LEU 21 43.211 17.117 5.513 147 HB3 LEU 21 HB1 LEU 21 41.618 17.782 5.076 148 HG LEU 21 HG LEU 21 43.073 15.483 3.694 149 HD11 LEU 21 HD11 LEU 21 41.189 14.142 4.531 150 HD12 LEU 21 HD12 LEU 21 40.462 15.590 5.269 151 HD13 LEU 21 HD13 LEU 21 42.005 14.954 5.887 152 HD21 LEU 21 HD21 LEU 21 40.504 16.984 3.033 153 HD22 LEU 21 HD22 LEU 21 40.816 15.332 2.446 154 HD23 LEU 21 HD23 LEU 21 41.895 16.663 1.970 155 H THR 22 HN THR 22 45.413 19.351 3.051 156 HA THR 22 HA THR 22 46.823 20.903 4.055 157 HB THR 22 HB THR 22 45.710 22.992 4.872 158 HG1 THR 22 HG1 THR 22 43.227 22.479 4.180 159 HG21 THR 22 HG21 THR 22 44.504 21.839 2.322 160 HG22 THR 22 HG22 THR 22 46.113 22.590 2.449 161 HG23 THR 22 HG23 THR 22 44.650 23.566 2.729 162 H HIS 23 HN HIS 23 47.226 19.018 5.607 163 HA HIS 23 HA HIS 23 46.089 18.951 8.207 164 HB2 HIS 23 HB2 HIS 23 48.210 17.817 8.868 165 HB3 HIS 23 HB1 HIS 23 47.526 17.164 7.359 166 HD1 HIS 23 HD1 HIS 23 50.424 19.139 8.741 167 HD2 HIS 23 HD2 HIS 23 48.994 17.880 4.990 168 HE1 HIS 23 HE1 HIS 23 52.302 19.505 7.047 169 H TYR 24 HN TYR 24 45.922 20.603 9.578 170 HA TYR 24 HA TYR 24 47.707 22.875 9.518 171 HB2 TYR 24 HB2 TYR 24 46.510 23.596 11.531 172 HB3 TYR 24 HB1 TYR 24 45.355 22.976 10.327 173 HD1 TYR 24 HD1 TYR 24 44.234 20.807 10.644 174 HD2 TYR 24 HD2 TYR 24 46.996 22.348 13.582 175 HE1 TYR 24 HE1 TYR 24 43.416 19.128 12.296 176 HE2 TYR 24 HE2 TYR 24 46.178 20.670 15.232 177 HH TYR 24 HH TYR 24 43.852 18.161 14.333 178 H LEU 25 HN LEU 25 49.431 23.430 10.783 179 HA LEU 25 HA LEU 25 50.944 21.246 11.938 180 HB2 LEU 25 HB2 LEU 25 51.454 24.199 12.434 181 HB3 LEU 25 HB1 LEU 25 52.630 22.864 12.364 182 HG LEU 25 HG LEU 25 51.001 23.977 10.037 183 HD11 LEU 25 HD11 LEU 25 53.181 24.684 9.177 184 HD12 LEU 25 HD12 LEU 25 54.005 23.927 10.562 185 HD13 LEU 25 HD13 LEU 25 52.956 25.342 10.815 186 HD21 LEU 25 HD21 LEU 25 51.204 21.626 9.629 187 HD22 LEU 25 HD22 LEU 25 52.858 21.574 10.284 188 HD23 LEU 25 HD23 LEU 25 52.541 22.365 8.721 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 57.743 5.197 -8.460 2 H2 GLY 1 HT2 GLY 1 57.760 6.826 -8.942 3 H3 GLY 1 HT3 GLY 1 57.974 6.417 -7.306 4 HA2 GLY 1 HA1 GLY 1 59.795 5.689 -9.504 5 HA3 GLY 1 HA2 GLY 1 60.029 7.051 -8.393 6 H TRP 2 HN TRP 2 58.488 4.813 -6.574 7 HA TRP 2 HA TRP 2 60.638 2.933 -6.054 8 HB2 TRP 2 HB2 TRP 2 61.658 4.994 -5.099 9 HB3 TRP 2 HB1 TRP 2 60.247 5.172 -4.029 10 HD1 TRP 2 HD1 TRP 2 62.672 2.264 -4.918 11 HE1 TRP 2 HE1 TRP 2 63.336 1.029 -2.728 12 HE3 TRP 2 HE3 TRP 2 59.971 5.043 -1.574 13 HZ2 TRP 2 HZ2 TRP 2 62.754 1.245 0.083 14 HZ3 TRP 2 HZ3 TRP 2 60.041 4.511 0.858 15 HH2 TRP 2 HH2 TRP 2 61.428 2.617 1.689 16 H GLY 3 HN GLY 3 60.140 1.467 -4.308 17 HA2 GLY 3 HA1 GLY 3 57.464 0.661 -4.217 18 HA3 GLY 3 HA2 GLY 3 58.681 0.238 -2.998 19 H SER 4 HN SER 4 55.962 2.250 -3.821 20 HA SER 4 HA SER 4 55.410 2.770 -1.026 21 HB2 SER 4 HB2 SER 4 55.679 5.195 -1.020 22 HB3 SER 4 HB1 SER 4 57.238 4.429 -1.399 23 HG SER 4 HG SER 4 56.076 4.718 -3.696 24 H PHE 5 HN PHE 5 54.959 4.028 -4.356 25 HA PHE 5 HA PHE 5 52.289 4.962 -3.963 26 HB2 PHE 5 HB2 PHE 5 52.125 4.735 -6.470 27 HB3 PHE 5 HB1 PHE 5 53.555 5.636 -5.912 28 HD1 PHE 5 HD1 PHE 5 55.800 4.691 -6.099 29 HD2 PHE 5 HD2 PHE 5 52.338 2.439 -7.350 30 HE1 PHE 5 HE1 PHE 5 57.282 3.065 -7.269 31 HE2 PHE 5 HE2 PHE 5 53.820 0.813 -8.521 32 HZ PHE 5 HZ PHE 5 56.294 1.109 -8.456 33 H PHE 6 HN PHE 6 50.681 3.805 -5.852 34 HA PHE 6 HA PHE 6 50.567 0.904 -5.496 35 HB2 PHE 6 HB2 PHE 6 49.731 1.558 -3.294 36 HB3 PHE 6 HB1 PHE 6 48.559 2.673 -4.036 37 HD1 PHE 6 HD1 PHE 6 46.412 1.884 -4.690 38 HD2 PHE 6 HD2 PHE 6 49.589 -0.945 -3.953 39 HE1 PHE 6 HE1 PHE 6 44.792 0.004 -4.920 40 HE2 PHE 6 HE2 PHE 6 47.967 -2.824 -4.184 41 HZ PHE 6 HZ PHE 6 45.582 -2.350 -4.722 42 H LYS 7 HN LYS 7 47.778 3.098 -5.632 43 HA LYS 7 HA LYS 7 47.648 3.183 -8.522 44 HB2 LYS 7 HB2 LYS 7 47.140 0.780 -8.227 45 HB3 LYS 7 HB1 LYS 7 45.805 1.201 -7.127 46 HG2 LYS 7 HG2 LYS 7 44.588 2.313 -8.881 47 HG3 LYS 7 HG1 LYS 7 45.986 2.251 -9.980 48 HD2 LYS 7 HD2 LYS 7 45.827 -0.146 -10.187 49 HD3 LYS 7 HD1 LYS 7 44.635 -0.241 -8.867 50 HE2 LYS 7 HE2 LYS 7 43.561 -0.418 -11.112 51 HE3 LYS 7 HE1 LYS 7 43.004 1.015 -10.216 52 HZ1 LYS 7 HZ1 LYS 7 45.355 1.363 -11.907 53 HZ2 LYS 7 HZ2 LYS 7 44.049 2.411 -11.626 54 HZ3 LYS 7 HZ3 LYS 7 43.884 1.118 -12.715 55 H LYS 8 HN LYS 8 45.051 2.585 -6.130 56 HA LYS 8 HA LYS 8 43.511 4.840 -6.997 57 HB2 LYS 8 HB2 LYS 8 43.464 3.326 -4.356 58 HB3 LYS 8 HB1 LYS 8 42.208 4.457 -4.913 59 HG2 LYS 8 HG2 LYS 8 41.816 3.049 -6.911 60 HG3 LYS 8 HG1 LYS 8 43.076 1.916 -6.362 61 HD2 LYS 8 HD2 LYS 8 41.795 1.437 -4.318 62 HD3 LYS 8 HD1 LYS 8 40.553 2.620 -4.798 63 HE2 LYS 8 HE2 LYS 8 41.311 0.103 -6.346 64 HE3 LYS 8 HE1 LYS 8 39.838 0.323 -5.370 65 HZ1 LYS 8 HZ1 LYS 8 39.511 2.383 -6.871 66 HZ2 LYS 8 HZ2 LYS 8 39.132 0.846 -7.487 67 HZ3 LYS 8 HZ3 LYS 8 40.589 1.602 -7.923 68 H ALA 9 HN ALA 9 44.720 4.490 -3.657 69 HA ALA 9 HA ALA 9 44.752 7.290 -3.158 70 HB1 ALA 9 HB1 ALA 9 44.734 5.729 -1.330 71 HB2 ALA 9 HB2 ALA 9 46.249 6.659 -1.228 72 HB3 ALA 9 HB3 ALA 9 46.264 4.998 -1.867 73 H ALA 10 HN ALA 10 47.133 8.027 -2.104 74 HA ALA 10 HA ALA 10 49.356 7.527 -3.909 75 HB1 ALA 10 HB1 ALA 10 47.845 8.976 -5.317 76 HB2 ALA 10 HB2 ALA 10 49.462 9.658 -5.015 77 HB3 ALA 10 HB3 ALA 10 48.056 10.263 -4.105 78 H HIS 11 HN HIS 11 47.756 9.497 -1.451 79 HA HIS 11 HA HIS 11 50.063 10.912 -0.526 80 HB2 HIS 11 HB2 HIS 11 47.576 9.986 0.966 81 HB3 HIS 11 HB1 HIS 11 48.766 11.151 1.596 82 HD1 HIS 11 HD1 HIS 11 48.525 13.558 0.902 83 HD2 HIS 11 HD2 HIS 11 46.188 10.958 -1.435 84 HE1 HIS 11 HE1 HIS 11 47.093 15.003 -0.643 85 H ALA 12 HN ALA 12 51.922 9.917 -0.031 86 HA ALA 12 HA ALA 12 52.216 7.255 0.855 87 HB1 ALA 12 HB1 ALA 12 53.965 9.646 1.532 88 HB2 ALA 12 HB2 ALA 12 54.064 8.677 0.042 89 HB3 ALA 12 HB3 ALA 12 54.446 7.935 1.614 90 H GLY 13 HN GLY 13 50.800 9.871 2.477 91 HA2 GLY 13 HA1 GLY 13 51.597 9.197 5.181 92 HA3 GLY 13 HA2 GLY 13 50.245 10.241 4.700 93 H LYS 14 HN LYS 14 48.182 9.415 4.487 94 HA LYS 14 HA LYS 14 47.690 6.542 4.688 95 HB2 LYS 14 HB2 LYS 14 48.298 7.243 7.068 96 HB3 LYS 14 HB1 LYS 14 46.820 8.236 7.059 97 HG2 LYS 14 HG2 LYS 14 45.554 6.112 6.374 98 HG3 LYS 14 HG1 LYS 14 47.042 5.214 6.757 99 HD2 LYS 14 HD2 LYS 14 45.535 7.034 8.689 100 HD3 LYS 14 HD1 LYS 14 45.466 5.257 8.686 101 HE2 LYS 14 HE2 LYS 14 48.069 5.363 8.897 102 HE3 LYS 14 HE1 LYS 14 47.808 7.059 9.373 103 HZ1 LYS 14 HZ1 LYS 14 47.312 6.340 11.392 104 HZ2 LYS 14 HZ2 LYS 14 47.459 4.718 10.909 105 HZ3 LYS 14 HZ3 LYS 14 45.965 5.514 10.774 106 H HIS 15 HN HIS 15 46.832 7.810 2.659 107 HA HIS 15 HA HIS 15 44.970 8.520 1.477 108 HB2 HIS 15 HB2 HIS 15 44.066 6.404 2.487 109 HB3 HIS 15 HB1 HIS 15 43.400 7.378 3.820 110 HD1 HIS 15 HD1 HIS 15 43.260 9.423 0.855 111 HD2 HIS 15 HD2 HIS 15 40.938 6.245 2.332 112 HE1 HIS 15 HE1 HIS 15 40.988 9.539 -0.305 113 H ALA 16 HN ALA 16 45.833 10.715 2.109 114 HA ALA 16 HA ALA 16 45.466 12.873 2.888 115 HB1 ALA 16 HB1 ALA 16 43.511 12.486 1.349 116 HB2 ALA 16 HB2 ALA 16 43.223 13.702 2.617 117 HB3 ALA 16 HB3 ALA 16 42.543 12.064 2.780 118 H GLY 17 HN GLY 17 46.365 11.671 4.962 119 HA2 GLY 17 HA1 GLY 17 44.478 11.395 7.156 120 HA3 GLY 17 HA2 GLY 17 46.249 11.391 7.267 121 H LYS 18 HN LYS 18 43.347 13.416 7.111 122 HA LYS 18 HA LYS 18 42.991 15.594 7.827 123 HB2 LYS 18 HB2 LYS 18 45.444 15.205 9.579 124 HB3 LYS 18 HB1 LYS 18 44.044 16.266 9.871 125 HG2 LYS 18 HG2 LYS 18 42.573 14.258 10.009 126 HG3 LYS 18 HG1 LYS 18 44.000 13.217 9.783 127 HD2 LYS 18 HD2 LYS 18 45.012 14.089 11.838 128 HD3 LYS 18 HD1 LYS 18 43.662 15.232 12.049 129 HE2 LYS 18 HE2 LYS 18 42.083 13.406 12.349 130 HE3 LYS 18 HE1 LYS 18 43.331 12.203 11.945 131 HZ1 LYS 18 HZ1 LYS 18 44.606 13.182 13.893 132 HZ2 LYS 18 HZ2 LYS 18 43.242 12.242 14.268 133 HZ3 LYS 18 HZ3 LYS 18 43.156 13.937 14.345 134 H ALA 19 HN ALA 19 44.112 15.614 5.442 135 HA ALA 19 HA ALA 19 45.164 17.109 4.022 136 HB1 ALA 19 HB1 ALA 19 46.434 18.628 6.306 137 HB2 ALA 19 HB2 ALA 19 44.678 18.733 6.045 138 HB3 ALA 19 HB3 ALA 19 45.798 19.229 4.756 139 H ALA 20 HN ALA 20 46.302 14.817 4.096 140 HA ALA 20 HA ALA 20 48.290 13.624 3.961 141 HB1 ALA 20 HB1 ALA 20 50.090 14.769 2.807 142 HB2 ALA 20 HB2 ALA 20 49.418 16.354 3.261 143 HB3 ALA 20 HB3 ALA 20 48.531 15.301 2.132 144 H LEU 21 HN LEU 21 47.723 14.203 6.586 145 HA LEU 21 HA LEU 21 48.696 14.583 8.683 146 HB2 LEU 21 HB2 LEU 21 51.086 13.319 7.287 147 HB3 LEU 21 HB1 LEU 21 50.755 13.316 9.031 148 HG LEU 21 HG LEU 21 48.819 12.112 7.004 149 HD11 LEU 21 HD11 LEU 21 51.027 10.703 8.568 150 HD12 LEU 21 HD12 LEU 21 51.032 10.993 6.811 151 HD13 LEU 21 HD13 LEU 21 49.812 9.917 7.533 152 HD21 LEU 21 HD21 LEU 21 49.203 11.891 10.026 153 HD22 LEU 21 HD22 LEU 21 48.188 10.764 9.096 154 HD23 LEU 21 HD23 LEU 21 47.776 12.490 9.149 155 H THR 22 HN THR 22 49.047 16.796 6.700 156 HA THR 22 HA THR 22 50.947 18.334 8.281 157 HB THR 22 HB THR 22 51.718 17.731 5.391 158 HG1 THR 22 HG1 THR 22 53.655 17.011 6.752 159 HG21 THR 22 HG21 THR 22 52.309 19.995 5.921 160 HG22 THR 22 HG22 THR 22 53.793 19.035 6.117 161 HG23 THR 22 HG23 THR 22 52.865 19.540 7.549 162 H HIS 23 HN HIS 23 49.810 18.296 4.863 163 HA HIS 23 HA HIS 23 47.975 20.530 5.391 164 HB2 HIS 23 HB2 HIS 23 50.529 20.945 3.788 165 HB3 HIS 23 HB1 HIS 23 49.110 22.011 3.662 166 HD1 HIS 23 HD1 HIS 23 48.191 22.387 6.489 167 HD2 HIS 23 HD2 HIS 23 52.263 22.328 5.440 168 HE1 HIS 23 HE1 HIS 23 49.475 23.577 8.351 169 H TYR 24 HN TYR 24 47.224 21.405 3.090 170 HA TYR 24 HA TYR 24 45.949 19.188 1.821 171 HB2 TYR 24 HB2 TYR 24 46.414 22.034 0.849 172 HB3 TYR 24 HB1 TYR 24 45.314 20.866 0.076 173 HD1 TYR 24 HD1 TYR 24 43.203 20.242 1.109 174 HD2 TYR 24 HD2 TYR 24 45.951 22.880 3.138 175 HE1 TYR 24 HE1 TYR 24 41.427 20.825 2.756 176 HE2 TYR 24 HE2 TYR 24 44.175 23.463 4.786 177 HH TYR 24 HH TYR 24 41.853 23.293 5.195 178 H LEU 25 HN LEU 25 49.047 20.737 1.295 179 HA LEU 25 HA LEU 25 49.439 19.766 -1.408 180 HB2 LEU 25 HB2 LEU 25 51.639 20.352 0.602 181 HB3 LEU 25 HB1 LEU 25 51.683 20.517 -1.170 182 HG LEU 25 HG LEU 25 50.021 22.191 0.765 183 HD11 LEU 25 HD11 LEU 25 52.333 22.936 -1.082 184 HD12 LEU 25 HD12 LEU 25 52.476 22.689 0.675 185 HD13 LEU 25 HD13 LEU 25 51.481 24.022 0.041 186 HD21 LEU 25 HD21 LEU 25 50.141 22.058 -2.277 187 HD22 LEU 25 HD22 LEU 25 49.593 23.522 -1.423 188 HD23 LEU 25 HD23 LEU 25 48.709 21.993 -1.223 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 54.967 -0.386 -14.760 2 H2 GLY 1 HT2 GLY 1 56.179 -0.597 -13.587 3 H3 GLY 1 HT3 GLY 1 56.120 0.830 -14.507 4 HA2 GLY 1 HA1 GLY 1 54.006 1.391 -13.539 5 HA3 GLY 1 HA2 GLY 1 54.111 -0.081 -12.555 6 H TRP 2 HN TRP 2 53.785 1.775 -10.926 7 HA TRP 2 HA TRP 2 56.122 3.410 -10.337 8 HB2 TRP 2 HB2 TRP 2 53.796 4.050 -9.708 9 HB3 TRP 2 HB1 TRP 2 53.757 2.689 -8.561 10 HD1 TRP 2 HD1 TRP 2 54.839 3.039 -6.259 11 HE1 TRP 2 HE1 TRP 2 56.138 4.963 -5.086 12 HE3 TRP 2 HE3 TRP 2 55.561 6.104 -10.297 13 HZ2 TRP 2 HZ2 TRP 2 57.317 7.482 -5.832 14 HZ3 TRP 2 HZ3 TRP 2 56.775 8.262 -10.042 15 HH2 TRP 2 HH2 TRP 2 57.653 8.953 -7.816 16 H GLY 3 HN GLY 3 57.255 3.322 -8.224 17 HA2 GLY 3 HA1 GLY 3 58.359 0.657 -7.849 18 HA3 GLY 3 HA2 GLY 3 58.799 2.128 -6.960 19 H SER 4 HN SER 4 55.524 0.804 -7.262 20 HA SER 4 HA SER 4 54.894 1.034 -4.533 21 HB2 SER 4 HB2 SER 4 52.998 -0.348 -4.990 22 HB3 SER 4 HB1 SER 4 53.335 0.536 -6.494 23 HG SER 4 HG SER 4 54.798 -1.566 -6.695 24 H PHE 5 HN PHE 5 56.513 0.340 -3.150 25 HA PHE 5 HA PHE 5 57.881 -2.132 -3.292 26 HB2 PHE 5 HB2 PHE 5 57.028 -0.683 -0.755 27 HB3 PHE 5 HB1 PHE 5 58.397 -1.804 -0.942 28 HD1 PHE 5 HD1 PHE 5 57.245 1.633 -1.348 29 HD2 PHE 5 HD2 PHE 5 60.304 -1.185 -2.504 30 HE1 PHE 5 HE1 PHE 5 58.708 3.517 -2.066 31 HE2 PHE 5 HE2 PHE 5 61.767 0.700 -3.224 32 HZ PHE 5 HZ PHE 5 60.974 3.051 -2.994 33 H PHE 6 HN PHE 6 54.902 -1.299 -1.463 34 HA PHE 6 HA PHE 6 53.762 -3.921 -1.931 35 HB2 PHE 6 HB2 PHE 6 55.466 -4.547 -0.235 36 HB3 PHE 6 HB1 PHE 6 54.766 -3.353 0.886 37 HD1 PHE 6 HD1 PHE 6 54.321 -6.640 -0.723 38 HD2 PHE 6 HD2 PHE 6 52.486 -3.666 1.811 39 HE1 PHE 6 HE1 PHE 6 52.617 -8.307 -0.001 40 HE2 PHE 6 HE2 PHE 6 50.781 -5.334 2.533 41 HZ PHE 6 HZ PHE 6 50.804 -7.634 1.571 42 H LYS 7 HN LYS 7 53.881 -1.152 0.344 43 HA LYS 7 HA LYS 7 51.022 -1.284 0.886 44 HB2 LYS 7 HB2 LYS 7 53.047 0.942 1.353 45 HB3 LYS 7 HB1 LYS 7 51.397 0.887 2.020 46 HG2 LYS 7 HG2 LYS 7 51.974 -1.312 3.108 47 HG3 LYS 7 HG1 LYS 7 53.651 -1.096 2.551 48 HD2 LYS 7 HD2 LYS 7 53.892 0.940 3.850 49 HD3 LYS 7 HD1 LYS 7 52.162 0.934 4.268 50 HE2 LYS 7 HE2 LYS 7 53.552 0.061 6.136 51 HE3 LYS 7 HE1 LYS 7 52.453 -1.187 5.501 52 HZ1 LYS 7 HZ1 LYS 7 54.202 -2.211 4.339 53 HZ2 LYS 7 HZ2 LYS 7 54.846 -1.863 5.873 54 HZ3 LYS 7 HZ3 LYS 7 55.245 -0.888 4.540 55 H LYS 8 HN LYS 8 49.435 0.291 0.317 56 HA LYS 8 HA LYS 8 49.650 1.086 -2.503 57 HB2 LYS 8 HB2 LYS 8 47.435 1.726 -0.520 58 HB3 LYS 8 HB1 LYS 8 47.331 1.703 -2.297 59 HG2 LYS 8 HG2 LYS 8 47.832 -0.730 -2.289 60 HG3 LYS 8 HG1 LYS 8 47.906 -0.703 -0.511 61 HD2 LYS 8 HD2 LYS 8 45.531 0.225 -0.533 62 HD3 LYS 8 HD1 LYS 8 45.493 -0.130 -2.277 63 HE2 LYS 8 HE2 LYS 8 45.935 -2.128 -0.016 64 HE3 LYS 8 HE1 LYS 8 44.512 -2.013 -1.079 65 HZ1 LYS 8 HZ1 LYS 8 46.231 -3.741 -1.678 66 HZ2 LYS 8 HZ2 LYS 8 47.253 -2.460 -2.126 67 HZ3 LYS 8 HZ3 LYS 8 45.771 -2.689 -2.926 68 H ALA 9 HN ALA 9 51.371 2.621 -2.433 69 HA ALA 9 HA ALA 9 51.007 5.072 -0.827 70 HB1 ALA 9 HB1 ALA 9 53.112 5.761 -1.806 71 HB2 ALA 9 HB2 ALA 9 53.020 4.460 -3.019 72 HB3 ALA 9 HB3 ALA 9 53.245 4.060 -1.299 73 H ALA 10 HN ALA 10 49.321 4.003 -3.330 74 HA ALA 10 HA ALA 10 49.557 6.012 -5.347 75 HB1 ALA 10 HB1 ALA 10 47.202 5.345 -5.912 76 HB2 ALA 10 HB2 ALA 10 47.193 4.332 -4.448 77 HB3 ALA 10 HB3 ALA 10 48.331 3.979 -5.771 78 H HIS 11 HN HIS 11 48.043 6.012 -2.184 79 HA HIS 11 HA HIS 11 46.214 8.167 -2.561 80 HB2 HIS 11 HB2 HIS 11 47.804 7.386 -0.084 81 HB3 HIS 11 HB1 HIS 11 46.380 8.455 -0.105 82 HD1 HIS 11 HD1 HIS 11 47.374 4.873 -1.067 83 HD2 HIS 11 HD2 HIS 11 43.980 7.084 0.063 84 HE1 HIS 11 HE1 HIS 11 45.434 3.225 -0.838 85 H ALA 12 HN ALA 12 46.722 10.071 -3.431 86 HA ALA 12 HA ALA 12 49.393 11.237 -3.097 87 HB1 ALA 12 HB1 ALA 12 46.885 12.515 -4.234 88 HB2 ALA 12 HB2 ALA 12 47.972 11.455 -5.163 89 HB3 ALA 12 HB3 ALA 12 48.572 13.000 -4.515 90 H GLY 13 HN GLY 13 49.085 13.872 -2.762 91 HA2 GLY 13 HA1 GLY 13 48.582 14.067 0.097 92 HA3 GLY 13 HA2 GLY 13 49.078 15.378 -0.992 93 H LYS 14 HN LYS 14 46.285 13.376 -0.014 94 HA LYS 14 HA LYS 14 44.586 15.697 0.241 95 HB2 LYS 14 HB2 LYS 14 44.741 15.447 -2.289 96 HB3 LYS 14 HB1 LYS 14 43.903 13.888 -2.105 97 HG2 LYS 14 HG2 LYS 14 42.050 15.077 -0.895 98 HG3 LYS 14 HG1 LYS 14 42.860 16.621 -1.231 99 HD2 LYS 14 HD2 LYS 14 42.181 14.702 -3.496 100 HD3 LYS 14 HD1 LYS 14 40.956 15.817 -2.854 101 HE2 LYS 14 HE2 LYS 14 43.669 16.606 -4.014 102 HE3 LYS 14 HE1 LYS 14 42.085 16.834 -4.784 103 HZ1 LYS 14 HZ1 LYS 14 42.155 18.821 -3.790 104 HZ2 LYS 14 HZ2 LYS 14 43.352 18.357 -2.677 105 HZ3 LYS 14 HZ3 LYS 14 41.722 17.986 -2.378 106 H HIS 15 HN HIS 15 43.940 12.393 -1.008 107 HA HIS 15 HA HIS 15 41.883 11.933 0.975 108 HB2 HIS 15 HB2 HIS 15 43.400 10.020 -0.845 109 HB3 HIS 15 HB1 HIS 15 41.977 9.579 0.130 110 HD1 HIS 15 HD1 HIS 15 40.411 12.316 -0.312 111 HD2 HIS 15 HD2 HIS 15 42.152 10.002 -3.360 112 HE1 HIS 15 HE1 HIS 15 39.172 12.857 -2.481 113 H ALA 16 HN ALA 16 45.339 11.562 0.899 114 HA ALA 16 HA ALA 16 45.640 9.505 2.858 115 HB1 ALA 16 HB1 ALA 16 47.492 11.881 2.511 116 HB2 ALA 16 HB2 ALA 16 47.412 10.543 1.340 117 HB3 ALA 16 HB3 ALA 16 47.899 10.226 3.021 118 H GLY 17 HN GLY 17 45.530 13.079 3.185 119 HA2 GLY 17 HA1 GLY 17 44.753 14.337 4.981 120 HA3 GLY 17 HA2 GLY 17 44.265 12.841 5.800 121 H LYS 18 HN LYS 18 46.760 11.509 5.837 122 HA LYS 18 HA LYS 18 47.917 12.778 8.171 123 HB2 LYS 18 HB2 LYS 18 49.567 10.937 8.054 124 HB3 LYS 18 HB1 LYS 18 47.900 10.334 7.886 125 HG2 LYS 18 HG2 LYS 18 48.238 10.487 5.350 126 HG3 LYS 18 HG1 LYS 18 49.965 10.753 5.686 127 HD2 LYS 18 HD2 LYS 18 48.354 8.352 6.665 128 HD3 LYS 18 HD1 LYS 18 49.411 8.345 5.235 129 HE2 LYS 18 HE2 LYS 18 51.280 9.169 6.845 130 HE3 LYS 18 HE1 LYS 18 50.185 8.661 8.154 131 HZ1 LYS 18 HZ1 LYS 18 50.776 6.823 5.923 132 HZ2 LYS 18 HZ2 LYS 18 50.303 6.467 7.515 133 HZ3 LYS 18 HZ3 LYS 18 51.887 6.992 7.194 134 H ALA 19 HN ALA 19 48.044 13.861 5.148 135 HA ALA 19 HA ALA 19 50.564 15.282 5.599 136 HB1 ALA 19 HB1 ALA 19 51.598 14.528 3.454 137 HB2 ALA 19 HB2 ALA 19 50.334 13.280 3.325 138 HB3 ALA 19 HB3 ALA 19 51.492 13.239 4.676 139 H ALA 20 HN ALA 20 47.722 15.859 5.251 140 HA ALA 20 HA ALA 20 48.016 17.980 3.267 141 HB1 ALA 20 HB1 ALA 20 47.499 16.223 1.699 142 HB2 ALA 20 HB2 ALA 20 46.043 17.228 1.899 143 HB3 ALA 20 HB3 ALA 20 46.153 15.647 2.711 144 H LEU 21 HN LEU 21 45.072 16.187 4.195 145 HA LEU 21 HA LEU 21 43.864 18.644 5.216 146 HB2 LEU 21 HB2 LEU 21 42.844 15.810 5.617 147 HB3 LEU 21 HB1 LEU 21 41.907 17.323 5.559 148 HG LEU 21 HG LEU 21 43.429 16.042 3.246 149 HD11 LEU 21 HD11 LEU 21 41.275 14.951 3.880 150 HD12 LEU 21 HD12 LEU 21 41.185 15.737 2.285 151 HD13 LEU 21 HD13 LEU 21 40.450 16.519 3.705 152 HD21 LEU 21 HD21 LEU 21 41.978 18.705 3.544 153 HD22 LEU 21 HD22 LEU 21 42.172 17.924 1.956 154 HD23 LEU 21 HD23 LEU 21 43.606 18.396 2.895 155 H THR 22 HN THR 22 45.730 18.996 6.759 156 HA THR 22 HA THR 22 44.813 18.301 9.425 157 HB THR 22 HB THR 22 47.491 17.113 8.574 158 HG1 THR 22 HG1 THR 22 45.115 15.770 9.350 159 HG21 THR 22 HG21 THR 22 47.300 16.052 10.864 160 HG22 THR 22 HG22 THR 22 45.903 17.113 11.172 161 HG23 THR 22 HG23 THR 22 47.513 17.819 10.889 162 H HIS 23 HN HIS 23 48.017 18.912 7.906 163 HA HIS 23 HA HIS 23 48.928 20.762 9.819 164 HB2 HIS 23 HB2 HIS 23 50.435 21.598 8.023 165 HB3 HIS 23 HB1 HIS 23 50.381 19.819 8.089 166 HD1 HIS 23 HD1 HIS 23 48.430 22.618 6.289 167 HD2 HIS 23 HD2 HIS 23 49.868 18.726 5.612 168 HE1 HIS 23 HE1 HIS 23 47.896 22.021 3.863 169 H TYR 24 HN TYR 24 49.381 23.140 9.377 170 HA TYR 24 HA TYR 24 47.465 24.595 7.744 171 HB2 TYR 24 HB2 TYR 24 46.035 23.820 9.688 172 HB3 TYR 24 HB1 TYR 24 47.079 24.786 10.757 173 HD1 TYR 24 HD1 TYR 24 46.732 27.138 10.982 174 HD2 TYR 24 HD2 TYR 24 44.892 25.006 7.711 175 HE1 TYR 24 HE1 TYR 24 45.432 29.178 10.384 176 HE2 TYR 24 HE2 TYR 24 43.591 27.045 7.115 177 HH TYR 24 HH TYR 24 43.875 30.047 9.032 178 H LEU 25 HN LEU 25 48.023 26.738 7.513 179 HA LEU 25 HA LEU 25 50.713 27.424 8.345 180 HB2 LEU 25 HB2 LEU 25 49.899 28.247 6.230 181 HB3 LEU 25 HB1 LEU 25 48.481 28.994 6.996 182 HG LEU 25 HG LEU 25 49.855 30.659 8.098 183 HD11 LEU 25 HD11 LEU 25 51.802 29.463 8.789 184 HD12 LEU 25 HD12 LEU 25 52.401 30.632 7.589 185 HD13 LEU 25 HD13 LEU 25 52.164 28.928 7.131 186 HD21 LEU 25 HD21 LEU 25 50.849 31.792 6.151 187 HD22 LEU 25 HD22 LEU 25 49.305 31.032 5.695 188 HD23 LEU 25 HD23 LEU 25 50.845 30.265 5.239 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 54.505 -4.815 -5.888 2 H2 GLY 1 HT2 GLY 1 54.912 -4.191 -4.361 3 H3 GLY 1 HT3 GLY 1 56.106 -4.899 -5.339 4 HA2 GLY 1 HA1 GLY 1 54.737 -2.812 -6.673 5 HA3 GLY 1 HA2 GLY 1 55.492 -2.270 -5.161 6 H TRP 2 HN TRP 2 57.443 -1.455 -5.438 7 HA TRP 2 HA TRP 2 59.532 -1.070 -6.365 8 HB2 TRP 2 HB2 TRP 2 59.975 -3.265 -5.337 9 HB3 TRP 2 HB1 TRP 2 59.415 -4.081 -6.816 10 HD1 TRP 2 HD1 TRP 2 61.964 -1.254 -6.016 11 HE1 TRP 2 HE1 TRP 2 64.118 -1.648 -7.418 12 HE3 TRP 2 HE3 TRP 2 60.541 -5.494 -8.508 13 HZ2 TRP 2 HZ2 TRP 2 65.064 -3.559 -9.352 14 HZ3 TRP 2 HZ3 TRP 2 62.086 -6.587 -10.128 15 HH2 TRP 2 HH2 TRP 2 64.344 -5.624 -10.551 16 H GLY 3 HN GLY 3 59.714 -3.672 -8.563 17 HA2 GLY 3 HA1 GLY 3 59.722 -1.848 -10.823 18 HA3 GLY 3 HA2 GLY 3 59.910 -3.613 -10.877 19 H SER 4 HN SER 4 57.463 -4.252 -9.508 20 HA SER 4 HA SER 4 55.686 -4.263 -11.771 21 HB2 SER 4 HB2 SER 4 54.980 -4.756 -8.857 22 HB3 SER 4 HB1 SER 4 54.105 -5.337 -10.290 23 HG SER 4 HG SER 4 56.715 -6.002 -10.437 24 H PHE 5 HN PHE 5 55.600 -1.992 -12.325 25 HA PHE 5 HA PHE 5 54.500 0.043 -12.372 26 HB2 PHE 5 HB2 PHE 5 52.478 -1.114 -10.424 27 HB3 PHE 5 HB1 PHE 5 52.228 0.115 -11.687 28 HD1 PHE 5 HD1 PHE 5 52.368 -0.541 -14.119 29 HD2 PHE 5 HD2 PHE 5 52.395 -3.464 -10.942 30 HE1 PHE 5 HE1 PHE 5 51.803 -2.330 -15.759 31 HE2 PHE 5 HE2 PHE 5 51.827 -5.252 -12.584 32 HZ PHE 5 HZ PHE 5 51.468 -4.672 -14.980 33 H PHE 6 HN PHE 6 54.524 2.002 -11.328 34 HA PHE 6 HA PHE 6 56.009 2.065 -8.815 35 HB2 PHE 6 HB2 PHE 6 56.291 3.738 -10.652 36 HB3 PHE 6 HB1 PHE 6 54.649 4.335 -10.319 37 HD1 PHE 6 HD1 PHE 6 58.054 3.862 -8.842 38 HD2 PHE 6 HD2 PHE 6 54.208 5.782 -8.449 39 HE1 PHE 6 HE1 PHE 6 58.952 5.287 -7.006 40 HE2 PHE 6 HE2 PHE 6 55.106 7.206 -6.613 41 HZ PHE 6 HZ PHE 6 57.470 6.938 -5.872 42 H LYS 7 HN LYS 7 52.644 2.474 -9.829 43 HA LYS 7 HA LYS 7 50.720 2.844 -8.593 44 HB2 LYS 7 HB2 LYS 7 51.699 0.598 -7.684 45 HB3 LYS 7 HB1 LYS 7 52.142 1.542 -6.246 46 HG2 LYS 7 HG2 LYS 7 50.011 0.810 -5.609 47 HG3 LYS 7 HG1 LYS 7 49.582 2.350 -6.385 48 HD2 LYS 7 HD2 LYS 7 49.178 1.080 -8.533 49 HD3 LYS 7 HD1 LYS 7 49.464 -0.431 -7.639 50 HE2 LYS 7 HE2 LYS 7 47.365 1.633 -6.853 51 HE3 LYS 7 HE1 LYS 7 47.023 0.196 -7.845 52 HZ1 LYS 7 HZ1 LYS 7 46.609 -0.651 -5.796 53 HZ2 LYS 7 HZ2 LYS 7 47.692 0.389 -5.000 54 HZ3 LYS 7 HZ3 LYS 7 48.275 -0.963 -5.848 55 H LYS 8 HN LYS 8 51.099 2.934 -5.462 56 HA LYS 8 HA LYS 8 52.501 5.386 -4.919 57 HB2 LYS 8 HB2 LYS 8 50.462 6.815 -4.490 58 HB3 LYS 8 HB1 LYS 8 50.789 6.499 -6.211 59 HG2 LYS 8 HG2 LYS 8 49.110 4.708 -6.237 60 HG3 LYS 8 HG1 LYS 8 48.825 4.919 -4.492 61 HD2 LYS 8 HD2 LYS 8 48.108 7.274 -4.920 62 HD3 LYS 8 HD1 LYS 8 48.319 6.998 -6.666 63 HE2 LYS 8 HE2 LYS 8 46.414 5.492 -4.820 64 HE3 LYS 8 HE1 LYS 8 45.958 6.691 -6.054 65 HZ1 LYS 8 HZ1 LYS 8 47.403 5.024 -7.526 66 HZ2 LYS 8 HZ2 LYS 8 45.731 4.833 -7.294 67 HZ3 LYS 8 HZ3 LYS 8 46.829 3.922 -6.371 68 H ALA 9 HN ALA 9 52.356 6.021 -2.717 69 HA ALA 9 HA ALA 9 51.761 3.804 -0.945 70 HB1 ALA 9 HB1 ALA 9 52.487 6.707 -0.443 71 HB2 ALA 9 HB2 ALA 9 53.568 5.295 -0.399 72 HB3 ALA 9 HB3 ALA 9 52.309 5.492 0.844 73 H ALA 10 HN ALA 10 50.387 4.067 1.035 74 HA ALA 10 HA ALA 10 47.676 4.582 0.234 75 HB1 ALA 10 HB1 ALA 10 48.186 2.968 1.968 76 HB2 ALA 10 HB2 ALA 10 47.179 4.262 2.662 77 HB3 ALA 10 HB3 ALA 10 48.932 4.230 2.976 78 H HIS 11 HN HIS 11 46.174 6.061 1.408 79 HA HIS 11 HA HIS 11 47.211 8.790 1.213 80 HB2 HIS 11 HB2 HIS 11 44.513 7.670 2.066 81 HB3 HIS 11 HB1 HIS 11 44.870 9.404 1.875 82 HD1 HIS 11 HD1 HIS 11 43.723 10.077 -0.250 83 HD2 HIS 11 HD2 HIS 11 45.751 6.415 -0.635 84 HE1 HIS 11 HE1 HIS 11 43.608 9.398 -2.710 85 H ALA 12 HN ALA 12 48.487 7.152 3.248 86 HA ALA 12 HA ALA 12 47.439 7.776 5.852 87 HB1 ALA 12 HB1 ALA 12 49.066 5.987 5.478 88 HB2 ALA 12 HB2 ALA 12 49.703 7.171 6.643 89 HB3 ALA 12 HB3 ALA 12 50.281 7.178 4.959 90 H GLY 13 HN GLY 13 49.054 9.673 3.467 91 HA2 GLY 13 HA1 GLY 13 48.806 12.063 5.033 92 HA3 GLY 13 HA2 GLY 13 50.491 11.507 5.064 93 H LYS 14 HN LYS 14 47.886 12.828 3.132 94 HA LYS 14 HA LYS 14 49.744 14.089 1.326 95 HB2 LYS 14 HB2 LYS 14 49.965 11.834 0.386 96 HB3 LYS 14 HB1 LYS 14 48.198 11.708 0.221 97 HG2 LYS 14 HG2 LYS 14 48.141 13.489 -1.412 98 HG3 LYS 14 HG1 LYS 14 49.843 13.907 -1.100 99 HD2 LYS 14 HD2 LYS 14 50.560 11.716 -1.975 100 HD3 LYS 14 HD1 LYS 14 48.862 11.252 -2.242 101 HE2 LYS 14 HE2 LYS 14 48.584 13.107 -3.841 102 HE3 LYS 14 HE1 LYS 14 50.260 13.629 -3.548 103 HZ1 LYS 14 HZ1 LYS 14 50.054 10.845 -4.221 104 HZ2 LYS 14 HZ2 LYS 14 51.040 12.054 -4.893 105 HZ3 LYS 14 HZ3 LYS 14 49.446 11.849 -5.445 106 H HIS 15 HN HIS 15 46.682 12.676 0.240 107 HA HIS 15 HA HIS 15 45.569 15.419 -0.047 108 HB2 HIS 15 HB2 HIS 15 45.412 13.786 -1.913 109 HB3 HIS 15 HB1 HIS 15 44.447 12.711 -0.875 110 HD1 HIS 15 HD1 HIS 15 42.116 12.879 -1.795 111 HD2 HIS 15 HD2 HIS 15 43.962 16.641 -1.448 112 HE1 HIS 15 HE1 HIS 15 40.347 14.646 -2.318 113 H ALA 16 HN ALA 16 45.539 12.846 2.195 114 HA ALA 16 HA ALA 16 42.858 12.888 3.131 115 HB1 ALA 16 HB1 ALA 16 45.421 12.523 4.721 116 HB2 ALA 16 HB2 ALA 16 44.548 11.245 3.843 117 HB3 ALA 16 HB3 ALA 16 43.789 12.042 5.242 118 H GLY 17 HN GLY 17 45.645 14.974 3.922 119 HA2 GLY 17 HA1 GLY 17 45.599 17.169 4.711 120 HA3 GLY 17 HA2 GLY 17 43.825 17.114 4.741 121 H LYS 18 HN LYS 18 43.842 14.603 6.353 122 HA LYS 18 HA LYS 18 43.627 15.784 8.930 123 HB2 LYS 18 HB2 LYS 18 42.639 13.576 8.138 124 HB3 LYS 18 HB1 LYS 18 44.252 12.861 8.375 125 HG2 LYS 18 HG2 LYS 18 44.228 13.487 10.743 126 HG3 LYS 18 HG1 LYS 18 42.670 14.323 10.535 127 HD2 LYS 18 HD2 LYS 18 41.549 12.235 10.000 128 HD3 LYS 18 HD1 LYS 18 43.097 11.357 9.975 129 HE2 LYS 18 HE2 LYS 18 41.927 10.976 12.114 130 HE3 LYS 18 HE1 LYS 18 43.428 11.895 12.381 131 HZ1 LYS 18 HZ1 LYS 18 40.653 12.961 12.267 132 HZ2 LYS 18 HZ2 LYS 18 42.039 13.943 12.275 133 HZ3 LYS 18 HZ3 LYS 18 41.697 12.943 13.604 134 H ALA 19 HN ALA 19 46.389 14.785 7.125 135 HA ALA 19 HA ALA 19 48.173 15.708 9.238 136 HB1 ALA 19 HB1 ALA 19 49.415 13.560 9.458 137 HB2 ALA 19 HB2 ALA 19 48.125 12.753 8.535 138 HB3 ALA 19 HB3 ALA 19 47.766 13.478 10.120 139 H ALA 20 HN ALA 20 47.932 16.822 6.862 140 HA ALA 20 HA ALA 20 50.547 16.330 5.646 141 HB1 ALA 20 HB1 ALA 20 48.051 15.817 3.988 142 HB2 ALA 20 HB2 ALA 20 49.183 14.567 4.558 143 HB3 ALA 20 HB3 ALA 20 49.733 15.806 3.403 144 H LEU 21 HN LEU 21 47.404 17.600 4.447 145 HA LEU 21 HA LEU 21 48.695 20.084 3.586 146 HB2 LEU 21 HB2 LEU 21 45.710 19.559 3.804 147 HB3 LEU 21 HB1 LEU 21 46.559 20.675 2.707 148 HG LEU 21 HG LEU 21 46.698 17.627 2.662 149 HD11 LEU 21 HD11 LEU 21 45.568 19.660 0.686 150 HD12 LEU 21 HD12 LEU 21 44.606 18.611 1.754 151 HD13 LEU 21 HD13 LEU 21 45.600 17.894 0.462 152 HD21 LEU 21 HD21 LEU 21 47.986 18.152 0.461 153 HD22 LEU 21 HD22 LEU 21 48.865 18.366 1.990 154 HD23 LEU 21 HD23 LEU 21 48.213 19.784 1.135 155 H THR 22 HN THR 22 48.935 19.484 6.426 156 HA THR 22 HA THR 22 48.661 20.530 8.479 157 HB THR 22 HB THR 22 48.799 22.920 8.491 158 HG1 THR 22 HG1 THR 22 48.358 23.802 6.154 159 HG21 THR 22 HG21 THR 22 50.684 21.630 7.359 160 HG22 THR 22 HG22 THR 22 50.563 23.349 6.911 161 HG23 THR 22 HG23 THR 22 49.957 22.094 5.802 162 H HIS 23 HN HIS 23 46.509 19.123 8.170 163 HA HIS 23 HA HIS 23 44.255 18.951 8.675 164 HB2 HIS 23 HB2 HIS 23 44.999 20.028 10.763 165 HB3 HIS 23 HB1 HIS 23 44.764 21.631 10.030 166 HD1 HIS 23 HD1 HIS 23 42.259 19.078 9.031 167 HD2 HIS 23 HD2 HIS 23 42.674 21.910 12.111 168 HE1 HIS 23 HE1 HIS 23 39.951 19.414 10.072 169 H TYR 24 HN TYR 24 44.225 22.512 8.538 170 HA TYR 24 HA TYR 24 43.140 22.590 5.835 171 HB2 TYR 24 HB2 TYR 24 41.180 21.698 7.120 172 HB3 TYR 24 HB1 TYR 24 41.219 23.169 8.124 173 HD1 TYR 24 HD1 TYR 24 40.517 25.326 7.235 174 HD2 TYR 24 HD2 TYR 24 40.623 21.828 4.707 175 HE1 TYR 24 HE1 TYR 24 39.212 26.543 5.495 176 HE2 TYR 24 HE2 TYR 24 39.319 23.046 2.968 177 HH TYR 24 HH TYR 24 37.834 24.837 2.760 178 H LEU 25 HN LEU 25 44.389 23.932 8.692 179 HA LEU 25 HA LEU 25 43.722 26.722 8.140 180 HB2 LEU 25 HB2 LEU 25 46.042 25.736 9.832 181 HB3 LEU 25 HB1 LEU 25 45.096 27.234 10.006 182 HG LEU 25 HG LEU 25 44.096 24.389 10.474 183 HD11 LEU 25 HD11 LEU 25 45.581 25.397 12.240 184 HD12 LEU 25 HD12 LEU 25 43.922 25.088 12.806 185 HD13 LEU 25 HD13 LEU 25 44.426 26.743 12.387 186 HD21 LEU 25 HD21 LEU 25 42.038 25.703 11.346 187 HD22 LEU 25 HD22 LEU 25 42.235 25.602 9.582 188 HD23 LEU 25 HD23 LEU 25 42.689 27.093 10.443 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 56.826 6.030 -9.308 2 H2 GLY 1 HT2 GLY 1 56.610 5.055 -10.684 3 H3 GLY 1 HT3 GLY 1 58.156 5.242 -10.003 4 HA2 GLY 1 HA1 GLY 1 55.873 4.041 -8.592 5 HA3 GLY 1 HA2 GLY 1 57.058 3.107 -9.526 6 H TRP 2 HN TRP 2 57.820 6.029 -7.689 7 HA TRP 2 HA TRP 2 60.066 4.955 -6.392 8 HB2 TRP 2 HB2 TRP 2 58.151 7.111 -5.415 9 HB3 TRP 2 HB1 TRP 2 59.772 6.807 -4.745 10 HD1 TRP 2 HD1 TRP 2 58.004 8.065 -7.902 11 HE1 TRP 2 HE1 TRP 2 59.697 9.365 -9.389 12 HE3 TRP 2 HE3 TRP 2 62.296 7.066 -5.298 13 HZ2 TRP 2 HZ2 TRP 2 62.530 9.881 -9.414 14 HZ3 TRP 2 HZ3 TRP 2 64.483 7.971 -6.072 15 HH2 TRP 2 HH2 TRP 2 64.603 9.377 -8.125 16 H GLY 3 HN GLY 3 56.871 5.531 -4.836 17 HA2 GLY 3 HA1 GLY 3 57.522 3.946 -2.531 18 HA3 GLY 3 HA2 GLY 3 55.903 4.491 -3.010 19 H SER 4 HN SER 4 56.528 3.098 -5.722 20 HA SER 4 HA SER 4 55.877 1.072 -6.650 21 HB2 SER 4 HB2 SER 4 58.054 0.345 -5.815 22 HB3 SER 4 HB1 SER 4 57.364 0.025 -4.208 23 HG SER 4 HG SER 4 57.485 -1.874 -5.470 24 H PHE 5 HN PHE 5 54.880 -1.232 -5.978 25 HA PHE 5 HA PHE 5 52.888 -2.213 -5.294 26 HB2 PHE 5 HB2 PHE 5 53.549 -0.725 -2.720 27 HB3 PHE 5 HB1 PHE 5 52.403 -2.077 -2.875 28 HD1 PHE 5 HD1 PHE 5 55.913 -1.125 -2.567 29 HD2 PHE 5 HD2 PHE 5 53.246 -4.336 -3.670 30 HE1 PHE 5 HE1 PHE 5 57.783 -2.756 -2.340 31 HE2 PHE 5 HE2 PHE 5 55.117 -5.966 -3.443 32 HZ PHE 5 HZ PHE 5 57.399 -5.167 -2.836 33 H PHE 6 HN PHE 6 52.769 0.441 -6.586 34 HA PHE 6 HA PHE 6 50.932 2.207 -5.402 35 HB2 PHE 6 HB2 PHE 6 52.105 2.620 -7.547 36 HB3 PHE 6 HB1 PHE 6 51.079 1.396 -8.333 37 HD1 PHE 6 HD1 PHE 6 51.148 4.757 -6.760 38 HD2 PHE 6 HD2 PHE 6 48.718 1.823 -8.789 39 HE1 PHE 6 HE1 PHE 6 49.374 6.471 -7.113 40 HE2 PHE 6 HE2 PHE 6 46.944 3.538 -9.143 41 HZ PHE 6 HZ PHE 6 47.284 5.868 -8.326 42 H LYS 7 HN LYS 7 50.453 -1.040 -6.471 43 HA LYS 7 HA LYS 7 47.647 -0.906 -7.092 44 HB2 LYS 7 HB2 LYS 7 49.154 -2.819 -7.663 45 HB3 LYS 7 HB1 LYS 7 49.218 -3.243 -5.935 46 HG2 LYS 7 HG2 LYS 7 46.807 -3.608 -5.880 47 HG3 LYS 7 HG1 LYS 7 46.644 -3.030 -7.556 48 HD2 LYS 7 HD2 LYS 7 48.043 -4.902 -8.355 49 HD3 LYS 7 HD1 LYS 7 48.247 -5.475 -6.681 50 HE2 LYS 7 HE2 LYS 7 46.475 -6.783 -7.706 51 HE3 LYS 7 HE1 LYS 7 45.731 -5.680 -6.523 52 HZ1 LYS 7 HZ1 LYS 7 44.852 -5.899 -8.997 53 HZ2 LYS 7 HZ2 LYS 7 46.034 -4.708 -9.268 54 HZ3 LYS 7 HZ3 LYS 7 44.788 -4.433 -8.147 55 H LYS 8 HN LYS 8 49.120 -2.448 -4.204 56 HA LYS 8 HA LYS 8 46.764 -2.481 -2.657 57 HB2 LYS 8 HB2 LYS 8 48.953 -3.646 -2.151 58 HB3 LYS 8 HB1 LYS 8 49.574 -2.084 -1.568 59 HG2 LYS 8 HG2 LYS 8 47.699 -1.962 0.066 60 HG3 LYS 8 HG1 LYS 8 47.124 -3.551 -0.496 61 HD2 LYS 8 HD2 LYS 8 49.206 -4.612 0.211 62 HD3 LYS 8 HD1 LYS 8 49.902 -3.033 0.646 63 HE2 LYS 8 HE2 LYS 8 48.183 -2.719 2.377 64 HE3 LYS 8 HE1 LYS 8 47.414 -4.258 1.916 65 HZ1 LYS 8 HZ1 LYS 8 49.481 -5.398 2.492 66 HZ2 LYS 8 HZ2 LYS 8 48.855 -4.550 3.825 67 HZ3 LYS 8 HZ3 LYS 8 50.182 -3.929 2.966 68 H ALA 9 HN ALA 9 49.434 -0.074 -2.549 69 HA ALA 9 HA ALA 9 48.243 1.667 -0.670 70 HB1 ALA 9 HB1 ALA 9 50.566 1.874 -1.409 71 HB2 ALA 9 HB2 ALA 9 49.698 3.409 -1.657 72 HB3 ALA 9 HB3 ALA 9 50.024 2.335 -3.039 73 H ALA 10 HN ALA 10 47.627 4.031 -1.302 74 HA ALA 10 HA ALA 10 46.127 4.353 -3.771 75 HB1 ALA 10 HB1 ALA 10 43.895 4.374 -2.884 76 HB2 ALA 10 HB2 ALA 10 44.491 4.117 -1.227 77 HB3 ALA 10 HB3 ALA 10 44.633 2.819 -2.436 78 H HIS 11 HN HIS 11 46.509 5.338 -0.355 79 HA HIS 11 HA HIS 11 45.604 8.000 -0.583 80 HB2 HIS 11 HB2 HIS 11 47.985 7.084 1.071 81 HB3 HIS 11 HB1 HIS 11 46.904 8.460 1.397 82 HD1 HIS 11 HD1 HIS 11 44.172 7.058 0.789 83 HD2 HIS 11 HD2 HIS 11 47.200 5.484 3.245 84 HE1 HIS 11 HE1 HIS 11 43.080 5.355 2.349 85 H ALA 12 HN ALA 12 46.281 9.745 -1.639 86 HA ALA 12 HA ALA 12 48.476 9.654 -3.455 87 HB1 ALA 12 HB1 ALA 12 48.067 12.000 -3.798 88 HB2 ALA 12 HB2 ALA 12 47.241 12.138 -2.227 89 HB3 ALA 12 HB3 ALA 12 46.496 11.205 -3.547 90 H GLY 13 HN GLY 13 48.524 9.792 -0.103 91 HA2 GLY 13 HA1 GLY 13 51.375 10.254 -0.055 92 HA3 GLY 13 HA2 GLY 13 50.494 11.672 0.546 93 H LYS 14 HN LYS 14 48.962 11.351 2.328 94 HA LYS 14 HA LYS 14 49.428 8.896 3.961 95 HB2 LYS 14 HB2 LYS 14 50.098 11.730 4.848 96 HB3 LYS 14 HB1 LYS 14 49.872 10.373 5.978 97 HG2 LYS 14 HG2 LYS 14 51.658 9.109 4.742 98 HG3 LYS 14 HG1 LYS 14 51.934 10.551 3.738 99 HD2 LYS 14 HD2 LYS 14 52.339 11.853 5.881 100 HD3 LYS 14 HD1 LYS 14 52.302 10.300 6.750 101 HE2 LYS 14 HE2 LYS 14 54.179 9.461 5.422 102 HE3 LYS 14 HE1 LYS 14 54.174 10.939 4.430 103 HZ1 LYS 14 HZ1 LYS 14 55.309 12.035 5.980 104 HZ2 LYS 14 HZ2 LYS 14 55.604 10.536 6.726 105 HZ3 LYS 14 HZ3 LYS 14 54.303 11.502 7.237 106 H HIS 15 HN HIS 15 48.334 11.778 5.530 107 HA HIS 15 HA HIS 15 45.669 10.593 5.886 108 HB2 HIS 15 HB2 HIS 15 46.858 13.243 6.799 109 HB3 HIS 15 HB1 HIS 15 45.273 12.604 7.297 110 HD1 HIS 15 HD1 HIS 15 45.417 10.038 8.377 111 HD2 HIS 15 HD2 HIS 15 48.865 12.442 8.511 112 HE1 HIS 15 HE1 HIS 15 46.983 9.029 10.127 113 H ALA 16 HN ALA 16 45.912 10.923 3.219 114 HA ALA 16 HA ALA 16 44.962 11.969 1.377 115 HB1 ALA 16 HB1 ALA 16 42.962 12.855 3.485 116 HB2 ALA 16 HB2 ALA 16 42.918 11.329 2.570 117 HB3 ALA 16 HB3 ALA 16 42.696 12.880 1.726 118 H GLY 17 HN GLY 17 46.754 13.555 3.401 119 HA2 GLY 17 HA1 GLY 17 46.431 16.145 1.959 120 HA3 GLY 17 HA2 GLY 17 46.367 16.166 3.733 121 H LYS 18 HN LYS 18 48.347 13.706 2.387 122 HA LYS 18 HA LYS 18 50.644 13.403 2.468 123 HB2 LYS 18 HB2 LYS 18 50.834 16.360 1.791 124 HB3 LYS 18 HB1 LYS 18 51.997 15.071 1.399 125 HG2 LYS 18 HG2 LYS 18 50.260 13.968 -0.018 126 HG3 LYS 18 HG1 LYS 18 49.154 15.322 0.324 127 HD2 LYS 18 HD2 LYS 18 50.785 16.904 -0.672 128 HD3 LYS 18 HD1 LYS 18 51.879 15.546 -1.030 129 HE2 LYS 18 HE2 LYS 18 50.622 16.041 -3.047 130 HE3 LYS 18 HE1 LYS 18 50.018 14.502 -2.387 131 HZ1 LYS 18 HZ1 LYS 18 48.113 15.733 -2.865 132 HZ2 LYS 18 HZ2 LYS 18 48.763 17.184 -2.266 133 HZ3 LYS 18 HZ3 LYS 18 48.311 15.945 -1.194 134 H ALA 19 HN ALA 19 49.021 14.957 4.752 135 HA ALA 19 HA ALA 19 51.177 14.847 6.656 136 HB1 ALA 19 HB1 ALA 19 51.193 17.309 7.211 137 HB2 ALA 19 HB2 ALA 19 50.340 17.594 5.674 138 HB3 ALA 19 HB3 ALA 19 51.973 16.888 5.669 139 H ALA 20 HN ALA 20 48.223 16.801 6.000 140 HA ALA 20 HA ALA 20 46.649 15.337 7.919 141 HB1 ALA 20 HB1 ALA 20 47.994 16.400 9.608 142 HB2 ALA 20 HB2 ALA 20 46.411 17.212 9.584 143 HB3 ALA 20 HB3 ALA 20 47.821 17.986 8.822 144 H LEU 21 HN LEU 21 45.562 15.514 5.776 145 HA LEU 21 HA LEU 21 43.895 16.399 4.443 146 HB2 LEU 21 HB2 LEU 21 43.294 17.784 7.082 147 HB3 LEU 21 HB1 LEU 21 42.278 18.014 5.645 148 HG LEU 21 HG LEU 21 41.991 15.513 5.509 149 HD11 LEU 21 HD11 LEU 21 43.868 14.622 6.676 150 HD12 LEU 21 HD12 LEU 21 42.498 14.319 7.764 151 HD13 LEU 21 HD13 LEU 21 43.605 15.673 8.086 152 HD21 LEU 21 HD21 LEU 21 40.366 15.412 7.343 153 HD22 LEU 21 HD22 LEU 21 40.342 17.038 6.620 154 HD23 LEU 21 HD23 LEU 21 41.175 16.764 8.170 155 H THR 22 HN THR 22 43.412 19.456 5.816 156 HA THR 22 HA THR 22 44.399 20.786 3.446 157 HB THR 22 HB THR 22 43.723 22.850 4.533 158 HG1 THR 22 HG1 THR 22 42.887 22.306 6.851 159 HG21 THR 22 HG21 THR 22 41.411 22.329 5.046 160 HG22 THR 22 HG22 THR 22 41.828 20.642 5.431 161 HG23 THR 22 HG23 THR 22 41.949 21.230 3.755 162 H HIS 23 HN HIS 23 45.922 19.711 6.308 163 HA HIS 23 HA HIS 23 48.047 20.059 7.164 164 HB2 HIS 23 HB2 HIS 23 48.602 19.513 4.744 165 HB3 HIS 23 HB1 HIS 23 48.705 21.265 4.449 166 HD1 HIS 23 HD1 HIS 23 51.296 20.006 3.944 167 HD2 HIS 23 HD2 HIS 23 50.125 21.025 7.853 168 HE1 HIS 23 HE1 HIS 23 53.417 20.147 5.362 169 H TYR 24 HN TYR 24 47.988 21.530 8.754 170 HA TYR 24 HA TYR 24 47.183 24.197 8.619 171 HB2 TYR 24 HB2 TYR 24 49.403 23.014 10.334 172 HB3 TYR 24 HB1 TYR 24 48.585 24.565 10.635 173 HD1 TYR 24 HD1 TYR 24 46.210 24.638 11.309 174 HD2 TYR 24 HD2 TYR 24 48.261 20.888 10.707 175 HE1 TYR 24 HE1 TYR 24 44.373 23.442 12.495 176 HE2 TYR 24 HE2 TYR 24 46.423 19.692 11.892 177 HH TYR 24 HH TYR 24 44.241 19.916 12.598 178 H LEU 25 HN LEU 25 50.586 23.034 8.424 179 HA LEU 25 HA LEU 25 51.558 25.667 7.649 180 HB2 LEU 25 HB2 LEU 25 52.763 22.878 7.726 181 HB3 LEU 25 HB1 LEU 25 53.664 24.256 7.053 182 HG LEU 25 HG LEU 25 53.338 25.488 9.205 183 HD11 LEU 25 HD11 LEU 25 51.926 22.896 9.951 184 HD12 LEU 25 HD12 LEU 25 51.347 24.570 10.133 185 HD13 LEU 25 HD13 LEU 25 52.639 23.958 11.189 186 HD21 LEU 25 HD21 LEU 25 54.577 22.708 9.457 187 HD22 LEU 25 HD22 LEU 25 54.918 24.090 10.525 188 HD23 LEU 25 HD23 LEU 25 55.384 24.156 8.809 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 53.742 -3.916 -4.138 2 H2 GLY 1 HT2 GLY 1 53.592 -4.818 -5.571 3 H3 GLY 1 HT3 GLY 1 52.768 -3.342 -5.400 4 HA2 GLY 1 HA1 GLY 1 54.439 -2.518 -6.546 5 HA3 GLY 1 HA2 GLY 1 55.230 -2.535 -4.958 6 H TRP 2 HN TRP 2 56.798 -2.572 -7.167 7 HA TRP 2 HA TRP 2 58.130 -5.190 -6.865 8 HB2 TRP 2 HB2 TRP 2 57.257 -4.260 -9.630 9 HB3 TRP 2 HB1 TRP 2 58.150 -5.745 -9.225 10 HD1 TRP 2 HD1 TRP 2 54.682 -4.256 -9.312 11 HE1 TRP 2 HE1 TRP 2 52.911 -6.052 -8.677 12 HE3 TRP 2 HE3 TRP 2 57.829 -7.956 -7.692 13 HZ2 TRP 2 HZ2 TRP 2 52.897 -8.727 -7.611 14 HZ3 TRP 2 HZ3 TRP 2 56.915 -10.122 -6.872 15 HH2 TRP 2 HH2 TRP 2 54.455 -10.510 -6.829 16 H GLY 3 HN GLY 3 57.985 -1.853 -7.700 17 HA2 GLY 3 HA1 GLY 3 60.677 -1.316 -7.229 18 HA3 GLY 3 HA2 GLY 3 60.588 -1.671 -8.965 19 H SER 4 HN SER 4 58.989 -0.435 -10.249 20 HA SER 4 HA SER 4 59.330 2.383 -9.743 21 HB2 SER 4 HB2 SER 4 59.075 1.334 -12.009 22 HB3 SER 4 HB1 SER 4 57.364 1.028 -11.632 23 HG SER 4 HG SER 4 57.751 3.524 -11.020 24 H PHE 5 HN PHE 5 57.439 3.936 -9.790 25 HA PHE 5 HA PHE 5 55.764 3.360 -7.471 26 HB2 PHE 5 HB2 PHE 5 54.860 5.624 -7.881 27 HB3 PHE 5 HB1 PHE 5 56.641 5.620 -7.915 28 HD1 PHE 5 HD1 PHE 5 53.556 5.903 -9.943 29 HD2 PHE 5 HD2 PHE 5 57.871 5.897 -10.021 30 HE1 PHE 5 HE1 PHE 5 53.516 6.823 -12.260 31 HE2 PHE 5 HE2 PHE 5 57.831 6.817 -12.336 32 HZ PHE 5 HZ PHE 5 55.652 7.222 -13.477 33 H PHE 6 HN PHE 6 53.410 3.602 -7.456 34 HA PHE 6 HA PHE 6 51.969 3.209 -9.989 35 HB2 PHE 6 HB2 PHE 6 52.203 0.953 -7.958 36 HB3 PHE 6 HB1 PHE 6 50.969 1.023 -9.239 37 HD1 PHE 6 HD1 PHE 6 54.336 0.026 -8.442 38 HD2 PHE 6 HD2 PHE 6 51.821 1.369 -11.683 39 HE1 PHE 6 HE1 PHE 6 55.961 -0.902 -10.086 40 HE2 PHE 6 HE2 PHE 6 53.445 0.440 -13.327 41 HZ PHE 6 HZ PHE 6 55.553 -0.623 -12.530 42 H LYS 7 HN LYS 7 50.033 4.130 -9.825 43 HA LYS 7 HA LYS 7 49.182 5.228 -7.272 44 HB2 LYS 7 HB2 LYS 7 47.712 5.021 -9.930 45 HB3 LYS 7 HB1 LYS 7 47.228 6.034 -8.547 46 HG2 LYS 7 HG2 LYS 7 49.261 7.348 -8.707 47 HG3 LYS 7 HG1 LYS 7 49.932 6.246 -9.934 48 HD2 LYS 7 HD2 LYS 7 47.999 6.836 -11.438 49 HD3 LYS 7 HD1 LYS 7 47.491 8.047 -10.236 50 HE2 LYS 7 HE2 LYS 7 49.588 9.256 -10.478 51 HE3 LYS 7 HE1 LYS 7 50.250 7.981 -11.530 52 HZ1 LYS 7 HZ1 LYS 7 47.757 9.434 -12.213 53 HZ2 LYS 7 HZ2 LYS 7 48.772 8.531 -13.234 54 HZ3 LYS 7 HZ3 LYS 7 49.283 10.040 -12.641 55 H LYS 8 HN LYS 8 48.701 3.702 -5.764 56 HA LYS 8 HA LYS 8 46.132 2.350 -6.057 57 HB2 LYS 8 HB2 LYS 8 47.708 0.805 -7.285 58 HB3 LYS 8 HB1 LYS 8 48.600 0.594 -5.759 59 HG2 LYS 8 HG2 LYS 8 46.516 -0.216 -4.666 60 HG3 LYS 8 HG1 LYS 8 45.650 -0.041 -6.212 61 HD2 LYS 8 HD2 LYS 8 47.308 -1.623 -7.255 62 HD3 LYS 8 HD1 LYS 8 48.016 -1.877 -5.641 63 HE2 LYS 8 HE2 LYS 8 46.443 -3.671 -6.004 64 HE3 LYS 8 HE1 LYS 8 45.690 -2.549 -4.844 65 HZ1 LYS 8 HZ1 LYS 8 44.090 -2.034 -6.292 66 HZ2 LYS 8 HZ2 LYS 8 44.571 -3.414 -7.162 67 HZ3 LYS 8 HZ3 LYS 8 45.164 -1.882 -7.596 68 H ALA 9 HN ALA 9 49.176 2.869 -4.333 69 HA ALA 9 HA ALA 9 47.760 3.343 -1.843 70 HB1 ALA 9 HB1 ALA 9 49.550 0.894 -1.897 71 HB2 ALA 9 HB2 ALA 9 47.774 0.813 -1.996 72 HB3 ALA 9 HB3 ALA 9 48.557 1.493 -0.549 73 H ALA 10 HN ALA 10 48.846 5.192 -1.482 74 HA ALA 10 HA ALA 10 51.651 4.986 -0.676 75 HB1 ALA 10 HB1 ALA 10 52.471 6.679 -2.302 76 HB2 ALA 10 HB2 ALA 10 50.913 6.575 -3.157 77 HB3 ALA 10 HB3 ALA 10 51.985 5.156 -3.083 78 H HIS 11 HN HIS 11 48.726 6.832 -1.320 79 HA HIS 11 HA HIS 11 49.631 9.196 0.161 80 HB2 HIS 11 HB2 HIS 11 46.864 8.324 -0.760 81 HB3 HIS 11 HB1 HIS 11 47.271 9.920 -0.087 82 HD1 HIS 11 HD1 HIS 11 50.218 9.216 -1.826 83 HD2 HIS 11 HD2 HIS 11 46.335 10.200 -3.110 84 HE1 HIS 11 HE1 HIS 11 50.406 10.091 -4.219 85 H ALA 12 HN ALA 12 50.188 7.126 1.801 86 HA ALA 12 HA ALA 12 48.187 6.185 3.536 87 HB1 ALA 12 HB1 ALA 12 50.015 6.061 5.242 88 HB2 ALA 12 HB2 ALA 12 51.054 6.985 4.132 89 HB3 ALA 12 HB3 ALA 12 50.461 5.373 3.664 90 H GLY 13 HN GLY 13 47.991 6.836 5.917 91 HA2 GLY 13 HA1 GLY 13 46.889 9.510 5.970 92 HA3 GLY 13 HA2 GLY 13 47.019 8.390 7.341 93 H LYS 14 HN LYS 14 48.892 10.651 5.305 94 HA LYS 14 HA LYS 14 50.121 11.831 7.662 95 HB2 LYS 14 HB2 LYS 14 51.423 9.657 7.341 96 HB3 LYS 14 HB1 LYS 14 52.008 10.336 5.804 97 HG2 LYS 14 HG2 LYS 14 52.757 12.390 7.164 98 HG3 LYS 14 HG1 LYS 14 52.454 11.411 8.618 99 HD2 LYS 14 HD2 LYS 14 54.366 10.729 6.339 100 HD3 LYS 14 HD1 LYS 14 54.821 11.242 7.981 101 HE2 LYS 14 HE2 LYS 14 53.537 8.636 7.100 102 HE3 LYS 14 HE1 LYS 14 55.025 8.879 8.044 103 HZ1 LYS 14 HZ1 LYS 14 52.262 9.513 8.960 104 HZ2 LYS 14 HZ2 LYS 14 53.684 9.749 9.860 105 HZ3 LYS 14 HZ3 LYS 14 53.185 8.176 9.448 106 H HIS 15 HN HIS 15 51.068 11.212 4.243 107 HA HIS 15 HA HIS 15 51.765 14.016 3.851 108 HB2 HIS 15 HB2 HIS 15 51.377 11.758 1.846 109 HB3 HIS 15 HB1 HIS 15 52.123 13.337 1.502 110 HD1 HIS 15 HD1 HIS 15 53.106 10.004 2.178 111 HD2 HIS 15 HD2 HIS 15 54.330 13.721 3.720 112 HE1 HIS 15 HE1 HIS 15 55.427 9.678 3.197 113 H ALA 16 HN ALA 16 48.847 12.243 3.828 114 HA ALA 16 HA ALA 16 47.332 14.588 3.031 115 HB1 ALA 16 HB1 ALA 16 48.070 13.818 0.797 116 HB2 ALA 16 HB2 ALA 16 46.308 13.671 1.007 117 HB3 ALA 16 HB3 ALA 16 47.344 12.226 1.118 118 H GLY 17 HN GLY 17 47.197 13.305 5.355 119 HA2 GLY 17 HA1 GLY 17 45.199 11.153 5.292 120 HA3 GLY 17 HA2 GLY 17 45.901 11.925 6.727 121 H LYS 18 HN LYS 18 44.436 13.740 4.082 122 HA LYS 18 HA LYS 18 42.685 15.263 4.151 123 HB2 LYS 18 HB2 LYS 18 41.595 12.877 4.120 124 HB3 LYS 18 HB1 LYS 18 41.151 13.229 5.805 125 HG2 LYS 18 HG2 LYS 18 40.102 15.394 4.979 126 HG3 LYS 18 HG1 LYS 18 40.385 14.821 3.319 127 HD2 LYS 18 HD2 LYS 18 39.062 12.765 3.834 128 HD3 LYS 18 HD1 LYS 18 38.720 13.419 5.454 129 HE2 LYS 18 HE2 LYS 18 36.827 13.962 4.048 130 HE3 LYS 18 HE1 LYS 18 37.738 15.468 4.314 131 HZ1 LYS 18 HZ1 LYS 18 38.242 13.733 1.964 132 HZ2 LYS 18 HZ2 LYS 18 38.658 15.366 2.186 133 HZ3 LYS 18 HZ3 LYS 18 37.035 14.924 1.945 134 H ALA 19 HN ALA 19 44.648 15.419 6.304 135 HA ALA 19 HA ALA 19 43.193 17.252 8.026 136 HB1 ALA 19 HB1 ALA 19 43.495 16.098 10.137 137 HB2 ALA 19 HB2 ALA 19 44.287 14.730 9.318 138 HB3 ALA 19 HB3 ALA 19 42.561 15.056 9.038 139 H ALA 20 HN ALA 20 46.067 15.355 7.251 140 HA ALA 20 HA ALA 20 47.869 17.011 8.849 141 HB1 ALA 20 HB1 ALA 20 48.403 15.065 6.576 142 HB2 ALA 20 HB2 ALA 20 48.408 14.682 8.314 143 HB3 ALA 20 HB3 ALA 20 49.638 15.778 7.641 144 H LEU 21 HN LEU 21 47.303 16.604 5.320 145 HA LEU 21 HA LEU 21 48.954 18.895 4.656 146 HB2 LEU 21 HB2 LEU 21 48.181 16.799 3.222 147 HB3 LEU 21 HB1 LEU 21 46.790 17.826 2.820 148 HG LEU 21 HG LEU 21 49.734 18.535 2.410 149 HD11 LEU 21 HD11 LEU 21 49.261 18.296 0.047 150 HD12 LEU 21 HD12 LEU 21 47.526 18.060 0.363 151 HD13 LEU 21 HD13 LEU 21 48.698 16.815 0.857 152 HD21 LEU 21 HD21 LEU 21 48.617 20.475 1.079 153 HD22 LEU 21 HD22 LEU 21 48.623 20.596 2.852 154 HD23 LEU 21 HD23 LEU 21 47.144 20.086 2.002 155 H THR 22 HN THR 22 45.401 18.350 4.412 156 HA THR 22 HA THR 22 44.627 20.952 3.757 157 HB THR 22 HB THR 22 42.450 20.425 4.586 158 HG1 THR 22 HG1 THR 22 43.889 18.745 6.346 159 HG21 THR 22 HG21 THR 22 43.719 17.711 4.060 160 HG22 THR 22 HG22 THR 22 43.421 18.908 2.776 161 HG23 THR 22 HG23 THR 22 42.056 18.228 3.694 162 H HIS 23 HN HIS 23 46.213 19.935 6.604 163 HA HIS 23 HA HIS 23 45.144 21.555 8.624 164 HB2 HIS 23 HB2 HIS 23 47.036 19.933 8.880 165 HB3 HIS 23 HB1 HIS 23 48.107 21.114 8.090 166 HD1 HIS 23 HD1 HIS 23 47.021 20.070 11.364 167 HD2 HIS 23 HD2 HIS 23 47.961 23.767 9.592 168 HE1 HIS 23 HE1 HIS 23 47.445 21.735 13.255 169 H TYR 24 HN TYR 24 47.596 22.445 6.157 170 HA TYR 24 HA TYR 24 47.710 25.212 7.076 171 HB2 TYR 24 HB2 TYR 24 49.563 23.962 5.869 172 HB3 TYR 24 HB1 TYR 24 48.590 24.100 4.386 173 HD1 TYR 24 HD1 TYR 24 48.240 26.264 3.295 174 HD2 TYR 24 HD2 TYR 24 50.528 25.959 6.943 175 HE1 TYR 24 HE1 TYR 24 49.096 28.579 2.953 176 HE2 TYR 24 HE2 TYR 24 51.384 28.275 6.599 177 HH TYR 24 HH TYR 24 50.476 30.159 3.693 178 H LEU 25 HN LEU 25 46.551 26.937 6.457 179 HA LEU 25 HA LEU 25 44.150 26.486 4.855 180 HB2 LEU 25 HB2 LEU 25 45.242 29.194 5.683 181 HB3 LEU 25 HB1 LEU 25 43.548 28.696 5.454 182 HG LEU 25 HG LEU 25 45.435 27.765 7.664 183 HD11 LEU 25 HD11 LEU 25 42.872 29.421 7.708 184 HD12 LEU 25 HD12 LEU 25 44.519 30.056 7.940 185 HD13 LEU 25 HD13 LEU 25 43.821 28.933 9.133 186 HD21 LEU 25 HD21 LEU 25 44.041 25.887 7.134 187 HD22 LEU 25 HD22 LEU 25 42.614 26.920 6.875 188 HD23 LEU 25 HD23 LEU 25 43.255 26.677 8.519 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 53.817 0.028 -8.369 2 H2 GLY 1 HT2 GLY 1 53.503 -1.526 -8.978 3 H3 GLY 1 HT3 GLY 1 52.239 -0.405 -8.807 4 HA2 GLY 1 HA1 GLY 1 52.567 -0.129 -10.967 5 HA3 GLY 1 HA2 GLY 1 53.782 1.005 -10.347 6 H TRP 2 HN TRP 2 55.873 0.717 -10.837 7 HA TRP 2 HA TRP 2 56.961 -1.909 -11.477 8 HB2 TRP 2 HB2 TRP 2 55.698 -1.390 -13.577 9 HB3 TRP 2 HB1 TRP 2 56.685 0.079 -13.764 10 HD1 TRP 2 HD1 TRP 2 58.898 -0.194 -14.990 11 HE1 TRP 2 HE1 TRP 2 60.397 -2.173 -15.762 12 HE3 TRP 2 HE3 TRP 2 56.366 -4.042 -12.756 13 HZ2 TRP 2 HZ2 TRP 2 60.460 -5.033 -15.434 14 HZ3 TRP 2 HZ3 TRP 2 57.164 -6.387 -12.999 15 HH2 TRP 2 HH2 TRP 2 59.207 -6.886 -14.334 16 H GLY 3 HN GLY 3 57.222 0.963 -10.137 17 HA2 GLY 3 HA1 GLY 3 60.031 0.882 -9.804 18 HA3 GLY 3 HA2 GLY 3 59.691 2.040 -11.104 19 H SER 4 HN SER 4 57.171 1.698 -8.807 20 HA SER 4 HA SER 4 58.171 3.624 -6.868 21 HB2 SER 4 HB2 SER 4 56.934 5.555 -7.478 22 HB3 SER 4 HB1 SER 4 57.694 5.012 -8.991 23 HG SER 4 HG SER 4 55.163 5.417 -8.588 24 H PHE 5 HN PHE 5 57.217 3.034 -5.042 25 HA PHE 5 HA PHE 5 54.344 2.818 -4.818 26 HB2 PHE 5 HB2 PHE 5 54.182 0.418 -4.293 27 HB3 PHE 5 HB1 PHE 5 54.750 0.661 -5.962 28 HD1 PHE 5 HD1 PHE 5 55.611 -0.592 -2.619 29 HD2 PHE 5 HD2 PHE 5 57.175 0.380 -6.524 30 HE1 PHE 5 HE1 PHE 5 57.669 -1.903 -2.121 31 HE2 PHE 5 HE2 PHE 5 59.233 -0.930 -6.025 32 HZ PHE 5 HZ PHE 5 59.506 -2.021 -3.801 33 H PHE 6 HN PHE 6 53.993 3.630 -2.870 34 HA PHE 6 HA PHE 6 56.111 3.508 -0.814 35 HB2 PHE 6 HB2 PHE 6 53.306 4.675 -0.629 36 HB3 PHE 6 HB1 PHE 6 54.688 5.012 0.440 37 HD1 PHE 6 HD1 PHE 6 56.722 6.188 -0.476 38 HD2 PHE 6 HD2 PHE 6 53.077 5.787 -2.755 39 HE1 PHE 6 HE1 PHE 6 57.480 8.000 -2.009 40 HE2 PHE 6 HE2 PHE 6 53.838 7.597 -4.289 41 HZ PHE 6 HZ PHE 6 56.067 8.659 -3.953 42 H LYS 7 HN LYS 7 54.595 3.463 1.514 43 HA LYS 7 HA LYS 7 54.277 0.600 1.864 44 HB2 LYS 7 HB2 LYS 7 53.403 2.843 3.726 45 HB3 LYS 7 HB1 LYS 7 53.722 1.147 4.161 46 HG2 LYS 7 HG2 LYS 7 56.097 1.476 3.315 47 HG3 LYS 7 HG1 LYS 7 55.732 3.213 3.176 48 HD2 LYS 7 HD2 LYS 7 55.140 3.274 5.590 49 HD3 LYS 7 HD1 LYS 7 55.543 1.545 5.724 50 HE2 LYS 7 HE2 LYS 7 57.439 3.809 4.967 51 HE3 LYS 7 HE1 LYS 7 57.463 2.853 6.468 52 HZ1 LYS 7 HZ1 LYS 7 58.799 1.450 5.414 53 HZ2 LYS 7 HZ2 LYS 7 58.583 2.238 3.924 54 HZ3 LYS 7 HZ3 LYS 7 57.503 1.019 4.409 55 H LYS 8 HN LYS 8 52.125 0.225 3.476 56 HA LYS 8 HA LYS 8 49.977 0.051 1.542 57 HB2 LYS 8 HB2 LYS 8 50.391 -1.562 3.441 58 HB3 LYS 8 HB1 LYS 8 49.801 -0.307 4.557 59 HG2 LYS 8 HG2 LYS 8 47.643 -0.233 3.374 60 HG3 LYS 8 HG1 LYS 8 48.227 -1.441 2.202 61 HD2 LYS 8 HD2 LYS 8 48.480 -3.104 3.987 62 HD3 LYS 8 HD1 LYS 8 48.001 -1.901 5.209 63 HE2 LYS 8 HE2 LYS 8 45.803 -1.642 3.967 64 HE3 LYS 8 HE1 LYS 8 46.286 -3.024 2.955 65 HZ1 LYS 8 HZ1 LYS 8 45.431 -2.961 5.733 66 HZ2 LYS 8 HZ2 LYS 8 46.733 -3.998 5.398 67 HZ3 LYS 8 HZ3 LYS 8 45.261 -4.183 4.570 68 H ALA 9 HN ALA 9 49.420 2.102 0.829 69 HA ALA 9 HA ALA 9 47.521 3.503 2.539 70 HB1 ALA 9 HB1 ALA 9 49.603 4.417 3.468 71 HB2 ALA 9 HB2 ALA 9 48.706 5.667 2.571 72 HB3 ALA 9 HB3 ALA 9 50.132 4.892 1.837 73 H ALA 10 HN ALA 10 49.758 4.085 -0.221 74 HA ALA 10 HA ALA 10 49.315 4.928 -2.340 75 HB1 ALA 10 HB1 ALA 10 48.258 2.679 -2.477 76 HB2 ALA 10 HB2 ALA 10 47.460 3.881 -3.520 77 HB3 ALA 10 HB3 ALA 10 46.711 3.404 -1.976 78 H HIS 11 HN HIS 11 49.030 6.955 -0.754 79 HA HIS 11 HA HIS 11 47.924 8.966 -0.401 80 HB2 HIS 11 HB2 HIS 11 46.607 8.190 -3.034 81 HB3 HIS 11 HB1 HIS 11 46.569 9.813 -2.303 82 HD1 HIS 11 HD1 HIS 11 49.772 8.302 -1.538 83 HD2 HIS 11 HD2 HIS 11 48.148 10.367 -4.821 84 HE1 HIS 11 HE1 HIS 11 51.725 9.078 -2.993 85 H ALA 12 HN ALA 12 46.903 7.799 1.450 86 HA ALA 12 HA ALA 12 44.214 6.780 1.192 87 HB1 ALA 12 HB1 ALA 12 45.560 6.117 3.071 88 HB2 ALA 12 HB2 ALA 12 44.190 7.065 3.697 89 HB3 ALA 12 HB3 ALA 12 45.804 7.808 3.564 90 H GLY 13 HN GLY 13 45.603 9.968 1.930 91 HA2 GLY 13 HA1 GLY 13 43.128 11.193 2.720 92 HA3 GLY 13 HA2 GLY 13 44.589 12.036 2.171 93 H LYS 14 HN LYS 14 43.471 13.562 0.976 94 HA LYS 14 HA LYS 14 41.692 12.611 -1.218 95 HB2 LYS 14 HB2 LYS 14 42.553 15.467 -0.636 96 HB3 LYS 14 HB1 LYS 14 41.109 14.902 -1.510 97 HG2 LYS 14 HG2 LYS 14 41.689 14.516 1.462 98 HG3 LYS 14 HG1 LYS 14 40.492 15.628 0.756 99 HD2 LYS 14 HD2 LYS 14 39.469 13.511 -0.366 100 HD3 LYS 14 HD1 LYS 14 40.461 12.587 0.789 101 HE2 LYS 14 HE2 LYS 14 38.346 14.673 1.471 102 HE3 LYS 14 HE1 LYS 14 38.237 12.919 1.743 103 HZ1 LYS 14 HZ1 LYS 14 40.525 13.470 2.986 104 HZ2 LYS 14 HZ2 LYS 14 39.012 13.501 3.762 105 HZ3 LYS 14 HZ3 LYS 14 39.721 14.946 3.218 106 H HIS 15 HN HIS 15 44.754 14.406 -0.756 107 HA HIS 15 HA HIS 15 45.846 13.290 -3.215 108 HB2 HIS 15 HB2 HIS 15 46.123 15.444 -4.408 109 HB3 HIS 15 HB1 HIS 15 44.406 15.015 -4.217 110 HD1 HIS 15 HD1 HIS 15 44.794 17.918 -4.656 111 HD2 HIS 15 HD2 HIS 15 45.259 16.244 -0.827 112 HE1 HIS 15 HE1 HIS 15 44.447 19.794 -2.956 113 H ALA 16 HN ALA 16 46.474 13.465 -0.383 114 HA ALA 16 HA ALA 16 49.245 14.414 -0.661 115 HB1 ALA 16 HB1 ALA 16 47.469 15.660 1.463 116 HB2 ALA 16 HB2 ALA 16 47.954 16.478 -0.042 117 HB3 ALA 16 HB3 ALA 16 49.187 16.005 1.152 118 H GLY 17 HN GLY 17 46.691 13.465 1.690 119 HA2 GLY 17 HA1 GLY 17 46.690 11.724 3.221 120 HA3 GLY 17 HA2 GLY 17 48.109 11.051 2.398 121 H LYS 18 HN LYS 18 50.228 11.898 2.938 122 HA LYS 18 HA LYS 18 50.761 11.923 5.677 123 HB2 LYS 18 HB2 LYS 18 52.428 11.704 3.785 124 HB3 LYS 18 HB1 LYS 18 52.366 13.474 3.613 125 HG2 LYS 18 HG2 LYS 18 53.132 13.775 5.915 126 HG3 LYS 18 HG1 LYS 18 53.070 12.019 6.199 127 HD2 LYS 18 HD2 LYS 18 54.834 11.626 4.579 128 HD3 LYS 18 HD1 LYS 18 54.809 13.331 4.068 129 HE2 LYS 18 HE2 LYS 18 55.453 13.987 6.410 130 HE3 LYS 18 HE1 LYS 18 55.611 12.260 6.809 131 HZ1 LYS 18 HZ1 LYS 18 57.739 13.233 6.187 132 HZ2 LYS 18 HZ2 LYS 18 57.117 13.696 4.675 133 HZ3 LYS 18 HZ3 LYS 18 57.273 12.050 5.065 134 H ALA 19 HN ALA 19 50.832 14.855 3.586 135 HA ALA 19 HA ALA 19 50.812 16.622 5.887 136 HB1 ALA 19 HB1 ALA 19 50.629 18.403 4.260 137 HB2 ALA 19 HB2 ALA 19 50.114 17.255 3.001 138 HB3 ALA 19 HB3 ALA 19 51.772 17.187 3.644 139 H ALA 20 HN ALA 20 48.385 14.909 4.127 140 HA ALA 20 HA ALA 20 46.068 14.971 4.222 141 HB1 ALA 20 HB1 ALA 20 46.398 14.405 6.536 142 HB2 ALA 20 HB2 ALA 20 45.113 15.637 6.460 143 HB3 ALA 20 HB3 ALA 20 46.761 16.096 6.954 144 H LEU 21 HN LEU 21 45.404 16.342 2.656 145 HA LEU 21 HA LEU 21 44.525 18.268 1.725 146 HB2 LEU 21 HB2 LEU 21 44.155 19.310 4.552 147 HB3 LEU 21 HB1 LEU 21 43.195 19.686 3.104 148 HG LEU 21 HG LEU 21 43.366 16.980 4.503 149 HD11 LEU 21 HD11 LEU 21 42.025 18.746 5.669 150 HD12 LEU 21 HD12 LEU 21 41.020 17.401 5.076 151 HD13 LEU 21 HD13 LEU 21 41.053 18.945 4.191 152 HD21 LEU 21 HD21 LEU 21 43.064 16.492 2.187 153 HD22 LEU 21 HD22 LEU 21 42.016 17.909 1.934 154 HD23 LEU 21 HD23 LEU 21 41.413 16.504 2.846 155 H THR 22 HN THR 22 45.879 19.807 4.674 156 HA THR 22 HA THR 22 48.167 20.879 3.158 157 HB THR 22 HB THR 22 47.535 23.281 3.648 158 HG1 THR 22 HG1 THR 22 45.253 21.933 4.525 159 HG21 THR 22 HG21 THR 22 47.176 22.080 1.395 160 HG22 THR 22 HG22 THR 22 46.220 23.554 1.678 161 HG23 THR 22 HG23 THR 22 45.464 21.956 1.864 162 H HIS 23 HN HIS 23 47.401 19.325 5.674 163 HA HIS 23 HA HIS 23 48.134 19.224 7.877 164 HB2 HIS 23 HB2 HIS 23 50.324 19.567 6.625 165 HB3 HIS 23 HB1 HIS 23 50.195 21.296 7.026 166 HD1 HIS 23 HD1 HIS 23 52.603 20.038 8.208 167 HD2 HIS 23 HD2 HIS 23 48.868 19.887 10.131 168 HE1 HIS 23 HE1 HIS 23 53.038 19.561 10.679 169 H TYR 24 HN TYR 24 45.951 20.521 8.005 170 HA TYR 24 HA TYR 24 46.271 23.313 8.893 171 HB2 TYR 24 HB2 TYR 24 43.831 23.185 9.288 172 HB3 TYR 24 HB1 TYR 24 44.265 22.623 7.656 173 HD1 TYR 24 HD1 TYR 24 42.868 21.677 10.913 174 HD2 TYR 24 HD2 TYR 24 44.365 20.164 7.156 175 HE1 TYR 24 HE1 TYR 24 41.796 19.475 11.372 176 HE2 TYR 24 HE2 TYR 24 43.293 17.962 7.617 177 HH TYR 24 HH TYR 24 41.441 17.043 9.034 178 H LEU 25 HN LEU 25 47.140 20.522 10.332 179 HA LEU 25 HA LEU 25 45.860 20.835 12.939 180 HB2 LEU 25 HB2 LEU 25 48.469 19.376 12.405 181 HB3 LEU 25 HB1 LEU 25 47.242 19.040 13.648 182 HG LEU 25 HG LEU 25 46.875 18.709 10.635 183 HD11 LEU 25 HD11 LEU 25 48.340 17.008 11.740 184 HD12 LEU 25 HD12 LEU 25 46.814 16.309 11.148 185 HD13 LEU 25 HD13 LEU 25 47.023 16.652 12.882 186 HD21 LEU 25 HD21 LEU 25 44.726 17.530 11.464 187 HD22 LEU 25 HD22 LEU 25 44.741 19.306 11.545 188 HD23 LEU 25 HD23 LEU 25 45.011 18.347 13.020 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 60.938 4.655 -5.359 2 H2 GLY 1 HT2 GLY 1 61.168 3.427 -6.511 3 H3 GLY 1 HT3 GLY 1 62.438 3.875 -5.474 4 HA2 GLY 1 HA1 GLY 1 61.744 2.632 -3.830 5 HA3 GLY 1 HA2 GLY 1 60.058 3.117 -4.103 6 H TRP 2 HN TRP 2 61.027 2.227 -7.072 7 HA TRP 2 HA TRP 2 60.578 0.356 -8.366 8 HB2 TRP 2 HB2 TRP 2 61.506 -1.192 -5.915 9 HB3 TRP 2 HB1 TRP 2 61.490 -1.761 -7.602 10 HD1 TRP 2 HD1 TRP 2 63.538 0.179 -5.137 11 HE1 TRP 2 HE1 TRP 2 65.718 1.063 -6.244 12 HE3 TRP 2 HE3 TRP 2 62.424 -0.833 -10.029 13 HZ2 TRP 2 HZ2 TRP 2 66.801 1.286 -8.903 14 HZ3 TRP 2 HZ3 TRP 2 64.046 -0.277 -11.835 15 HH2 TRP 2 HH2 TRP 2 66.231 0.780 -11.278 16 H GLY 3 HN GLY 3 59.434 -1.925 -8.297 17 HA2 GLY 3 HA1 GLY 3 57.540 -3.166 -7.759 18 HA3 GLY 3 HA2 GLY 3 57.319 -2.178 -6.303 19 H SER 4 HN SER 4 56.744 0.238 -6.908 20 HA SER 4 HA SER 4 54.988 1.570 -7.643 21 HB2 SER 4 HB2 SER 4 56.201 1.782 -9.678 22 HB3 SER 4 HB1 SER 4 55.801 0.126 -10.184 23 HG SER 4 HG SER 4 53.544 1.479 -9.684 24 H PHE 5 HN PHE 5 53.471 0.491 -6.262 25 HA PHE 5 HA PHE 5 51.990 -1.808 -6.878 26 HB2 PHE 5 HB2 PHE 5 51.004 0.740 -5.535 27 HB3 PHE 5 HB1 PHE 5 50.220 -0.856 -5.437 28 HD1 PHE 5 HD1 PHE 5 51.260 -2.706 -4.192 29 HD2 PHE 5 HD2 PHE 5 53.127 1.180 -4.391 30 HE1 PHE 5 HE1 PHE 5 52.780 -3.341 -2.322 31 HE2 PHE 5 HE2 PHE 5 54.646 0.547 -2.522 32 HZ PHE 5 HZ PHE 5 54.521 -1.738 -1.536 33 H PHE 6 HN PHE 6 49.399 -1.502 -7.162 34 HA PHE 6 HA PHE 6 48.762 0.355 -9.372 35 HB2 PHE 6 HB2 PHE 6 49.885 -1.592 -10.492 36 HB3 PHE 6 HB1 PHE 6 48.621 -2.653 -9.822 37 HD1 PHE 6 HD1 PHE 6 49.104 0.457 -11.885 38 HD2 PHE 6 HD2 PHE 6 46.553 -2.903 -10.967 39 HE1 PHE 6 HE1 PHE 6 47.598 1.084 -13.769 40 HE2 PHE 6 HE2 PHE 6 45.049 -2.275 -12.853 41 HZ PHE 6 HZ PHE 6 45.595 -0.307 -14.280 42 H LYS 7 HN LYS 7 47.944 -2.060 -6.982 43 HA LYS 7 HA LYS 7 45.134 -2.245 -7.486 44 HB2 LYS 7 HB2 LYS 7 46.780 -2.530 -4.944 45 HB3 LYS 7 HB1 LYS 7 45.032 -2.860 -5.018 46 HG2 LYS 7 HG2 LYS 7 45.329 -4.639 -6.594 47 HG3 LYS 7 HG1 LYS 7 47.013 -4.168 -6.926 48 HD2 LYS 7 HD2 LYS 7 46.853 -6.171 -5.433 49 HD3 LYS 7 HD1 LYS 7 47.678 -4.802 -4.653 50 HE2 LYS 7 HE2 LYS 7 45.797 -4.290 -3.295 51 HE3 LYS 7 HE1 LYS 7 44.689 -5.247 -4.310 52 HZ1 LYS 7 HZ1 LYS 7 45.499 -7.220 -3.469 53 HZ2 LYS 7 HZ2 LYS 7 45.545 -6.223 -2.095 54 HZ3 LYS 7 HZ3 LYS 7 46.971 -6.548 -2.961 55 H LYS 8 HN LYS 8 46.150 -0.822 -4.421 56 HA LYS 8 HA LYS 8 45.216 1.857 -5.062 57 HB2 LYS 8 HB2 LYS 8 43.040 0.631 -4.982 58 HB3 LYS 8 HB1 LYS 8 43.406 0.154 -3.306 59 HG2 LYS 8 HG2 LYS 8 43.462 2.474 -2.588 60 HG3 LYS 8 HG1 LYS 8 43.313 3.044 -4.269 61 HD2 LYS 8 HD2 LYS 8 41.077 2.105 -4.454 62 HD3 LYS 8 HD1 LYS 8 41.224 1.331 -2.857 63 HE2 LYS 8 HE2 LYS 8 39.907 3.507 -2.867 64 HE3 LYS 8 HE1 LYS 8 41.282 3.472 -1.739 65 HZ1 LYS 8 HZ1 LYS 8 42.360 5.036 -2.895 66 HZ2 LYS 8 HZ2 LYS 8 40.848 5.390 -3.583 67 HZ3 LYS 8 HZ3 LYS 8 41.943 4.381 -4.402 68 H ALA 9 HN ALA 9 45.884 3.310 -3.572 69 HA ALA 9 HA ALA 9 46.345 2.635 -0.797 70 HB1 ALA 9 HB1 ALA 9 48.769 2.806 -2.622 71 HB2 ALA 9 HB2 ALA 9 48.248 1.399 -1.663 72 HB3 ALA 9 HB3 ALA 9 48.829 2.870 -0.844 73 H ALA 10 HN ALA 10 48.489 4.609 -2.829 74 HA ALA 10 HA ALA 10 48.812 6.899 -2.906 75 HB1 ALA 10 HB1 ALA 10 46.408 6.728 -3.743 76 HB2 ALA 10 HB2 ALA 10 46.903 8.303 -3.080 77 HB3 ALA 10 HB3 ALA 10 45.905 7.200 -2.104 78 H HIS 11 HN HIS 11 49.743 8.305 -1.554 79 HA HIS 11 HA HIS 11 48.641 8.921 1.059 80 HB2 HIS 11 HB2 HIS 11 50.587 7.984 2.363 81 HB3 HIS 11 HB1 HIS 11 49.491 6.750 1.698 82 HD1 HIS 11 HD1 HIS 11 52.396 8.687 0.071 83 HD2 HIS 11 HD2 HIS 11 51.105 4.738 0.725 84 HE1 HIS 11 HE1 HIS 11 54.096 7.136 -1.039 85 H ALA 12 HN ALA 12 49.446 10.393 -1.222 86 HA ALA 12 HA ALA 12 52.073 11.430 -1.130 87 HB1 ALA 12 HB1 ALA 12 50.545 11.952 -2.940 88 HB2 ALA 12 HB2 ALA 12 51.074 13.468 -2.170 89 HB3 ALA 12 HB3 ALA 12 49.457 12.807 -1.822 90 H GLY 13 HN GLY 13 52.595 13.771 -0.507 91 HA2 GLY 13 HA1 GLY 13 52.830 15.374 1.147 92 HA3 GLY 13 HA2 GLY 13 51.211 14.943 1.730 93 H LYS 14 HN LYS 14 51.665 14.996 3.898 94 HA LYS 14 HA LYS 14 53.982 13.705 5.044 95 HB2 LYS 14 HB2 LYS 14 52.688 15.531 6.152 96 HB3 LYS 14 HB1 LYS 14 51.327 14.402 6.363 97 HG2 LYS 14 HG2 LYS 14 52.694 12.927 7.744 98 HG3 LYS 14 HG1 LYS 14 54.141 13.917 7.434 99 HD2 LYS 14 HD2 LYS 14 52.973 15.868 8.508 100 HD3 LYS 14 HD1 LYS 14 51.625 14.781 8.925 101 HE2 LYS 14 HE2 LYS 14 54.523 14.352 9.774 102 HE3 LYS 14 HE1 LYS 14 53.260 15.064 10.806 103 HZ1 LYS 14 HZ1 LYS 14 52.838 12.443 9.506 104 HZ2 LYS 14 HZ2 LYS 14 52.108 13.077 10.903 105 HZ3 LYS 14 HZ3 LYS 14 53.721 12.548 10.950 106 H HIS 15 HN HIS 15 50.587 12.733 4.529 107 HA HIS 15 HA HIS 15 51.321 9.930 4.476 108 HB2 HIS 15 HB2 HIS 15 51.435 10.299 6.927 109 HB3 HIS 15 HB1 HIS 15 49.758 10.895 6.905 110 HD1 HIS 15 HD1 HIS 15 48.092 9.153 7.509 111 HD2 HIS 15 HD2 HIS 15 51.491 7.497 5.670 112 HE1 HIS 15 HE1 HIS 15 47.737 6.626 7.384 113 H ALA 16 HN ALA 16 49.342 12.544 3.878 114 HA ALA 16 HA ALA 16 47.475 10.914 2.354 115 HB1 ALA 16 HB1 ALA 16 45.452 11.387 3.543 116 HB2 ALA 16 HB2 ALA 16 46.298 12.462 4.683 117 HB3 ALA 16 HB3 ALA 16 46.598 10.707 4.722 118 H GLY 17 HN GLY 17 48.590 13.967 3.665 119 HA2 GLY 17 HA1 GLY 17 48.739 16.030 2.604 120 HA3 GLY 17 HA2 GLY 17 48.079 15.292 1.131 121 H LYS 18 HN LYS 18 45.704 14.822 1.146 122 HA LYS 18 HA LYS 18 44.295 17.247 1.831 123 HB2 LYS 18 HB2 LYS 18 42.274 15.974 1.088 124 HB3 LYS 18 HB1 LYS 18 43.610 15.914 -0.086 125 HG2 LYS 18 HG2 LYS 18 44.299 13.700 0.857 126 HG3 LYS 18 HG1 LYS 18 42.891 13.754 1.946 127 HD2 LYS 18 HD2 LYS 18 41.360 13.804 0.039 128 HD3 LYS 18 HD1 LYS 18 42.728 13.902 -1.096 129 HE2 LYS 18 HE2 LYS 18 43.528 11.689 -0.354 130 HE3 LYS 18 HE1 LYS 18 42.194 11.589 0.821 131 HZ1 LYS 18 HZ1 LYS 18 40.864 10.852 -0.773 132 HZ2 LYS 18 HZ2 LYS 18 42.164 10.853 -1.866 133 HZ3 LYS 18 HZ3 LYS 18 41.164 12.220 -1.730 134 H ALA 19 HN ALA 19 45.472 15.024 3.879 135 HA ALA 19 HA ALA 19 43.629 15.786 5.998 136 HB1 ALA 19 HB1 ALA 19 42.745 13.601 6.528 137 HB2 ALA 19 HB2 ALA 19 43.668 12.856 5.201 138 HB3 ALA 19 HB3 ALA 19 42.335 13.979 4.839 139 H ALA 20 HN ALA 20 46.246 16.304 5.855 140 HA ALA 20 HA ALA 20 47.277 14.955 8.196 141 HB1 ALA 20 HB1 ALA 20 48.691 14.338 5.579 142 HB2 ALA 20 HB2 ALA 20 47.682 13.185 6.484 143 HB3 ALA 20 HB3 ALA 20 49.180 13.817 7.207 144 H LEU 21 HN LEU 21 48.054 16.770 5.218 145 HA LEU 21 HA LEU 21 50.311 18.146 6.396 146 HB2 LEU 21 HB2 LEU 21 49.993 17.858 3.947 147 HB3 LEU 21 HB1 LEU 21 48.566 18.912 4.019 148 HG LEU 21 HG LEU 21 50.014 20.774 4.873 149 HD11 LEU 21 HD11 LEU 21 52.141 18.617 4.612 150 HD12 LEU 21 HD12 LEU 21 51.884 19.788 5.929 151 HD13 LEU 21 HD13 LEU 21 52.578 20.328 4.387 152 HD21 LEU 21 HD21 LEU 21 49.507 20.475 2.447 153 HD22 LEU 21 HD22 LEU 21 50.988 19.504 2.276 154 HD23 LEU 21 HD23 LEU 21 51.099 21.225 2.714 155 H THR 22 HN THR 22 49.626 18.968 8.399 156 HA THR 22 HA THR 22 48.637 20.509 9.827 157 HB THR 22 HB THR 22 48.568 22.819 9.053 158 HG1 THR 22 HG1 THR 22 48.231 23.290 7.026 159 HG21 THR 22 HG21 THR 22 50.817 21.286 7.681 160 HG22 THR 22 HG22 THR 22 50.799 21.790 9.388 161 HG23 THR 22 HG23 THR 22 50.838 23.016 8.098 162 H HIS 23 HN HIS 23 46.916 18.838 7.803 163 HA HIS 23 HA HIS 23 44.656 18.589 7.352 164 HB2 HIS 23 HB2 HIS 23 44.430 20.314 9.850 165 HB3 HIS 23 HB1 HIS 23 43.087 19.415 9.105 166 HD1 HIS 23 HD1 HIS 23 43.408 16.733 8.941 167 HD2 HIS 23 HD2 HIS 23 45.989 18.776 11.559 168 HE1 HIS 23 HE1 HIS 23 44.468 14.989 10.478 169 H TYR 24 HN TYR 24 44.248 21.807 8.806 170 HA TYR 24 HA TYR 24 44.061 23.126 6.181 171 HB2 TYR 24 HB2 TYR 24 41.587 22.622 7.882 172 HB3 TYR 24 HB1 TYR 24 41.674 23.846 6.593 173 HD1 TYR 24 HD1 TYR 24 41.323 20.288 7.357 174 HD2 TYR 24 HD2 TYR 24 42.171 23.130 4.220 175 HE1 TYR 24 HE1 TYR 24 40.851 18.540 5.644 176 HE2 TYR 24 HE2 TYR 24 41.701 21.382 2.509 177 HH TYR 24 HH TYR 24 41.661 18.355 2.845 178 H LEU 25 HN LEU 25 45.867 23.819 7.924 179 HA LEU 25 HA LEU 25 46.629 25.522 9.307 180 HB2 LEU 25 HB2 LEU 25 44.255 27.150 8.341 181 HB3 LEU 25 HB1 LEU 25 45.887 27.713 8.775 182 HG LEU 25 HG LEU 25 45.155 25.974 6.376 183 HD11 LEU 25 HD11 LEU 25 45.812 27.936 5.065 184 HD12 LEU 25 HD12 LEU 25 46.239 28.820 6.549 185 HD13 LEU 25 HD13 LEU 25 44.541 28.398 6.221 186 HD21 LEU 25 HD21 LEU 25 47.336 25.276 7.073 187 HD22 LEU 25 HD22 LEU 25 47.818 26.934 7.504 188 HD23 LEU 25 HD23 LEU 25 47.628 26.475 5.794 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 56.087 5.242 -11.113 2 H2 GLY 1 HT2 GLY 1 55.416 4.506 -12.491 3 H3 GLY 1 HT3 GLY 1 56.553 3.670 -11.542 4 HA2 GLY 1 HA1 GLY 1 55.012 3.759 -9.672 5 HA3 GLY 1 HA2 GLY 1 53.822 4.464 -10.784 6 H TRP 2 HN TRP 2 53.102 2.211 -9.515 7 HA TRP 2 HA TRP 2 52.428 0.013 -9.846 8 HB2 TRP 2 HB2 TRP 2 52.616 0.633 -12.814 9 HB3 TRP 2 HB1 TRP 2 51.494 -0.473 -11.984 10 HD1 TRP 2 HD1 TRP 2 50.164 1.067 -9.824 11 HE1 TRP 2 HE1 TRP 2 48.770 3.230 -10.194 12 HE3 TRP 2 HE3 TRP 2 52.117 2.527 -14.327 13 HZ2 TRP 2 HZ2 TRP 2 48.557 5.297 -12.188 14 HZ3 TRP 2 HZ3 TRP 2 51.303 4.598 -15.445 15 HH2 TRP 2 HH2 TRP 2 49.527 5.983 -14.380 16 H GLY 3 HN GLY 3 55.268 0.466 -9.594 17 HA2 GLY 3 HA1 GLY 3 56.254 -2.100 -10.175 18 HA3 GLY 3 HA2 GLY 3 56.712 -1.076 -11.551 19 H SER 4 HN SER 4 56.349 0.369 -8.408 20 HA SER 4 HA SER 4 59.116 0.011 -7.578 21 HB2 SER 4 HB2 SER 4 58.295 2.623 -8.900 22 HB3 SER 4 HB1 SER 4 59.703 2.468 -7.826 23 HG SER 4 HG SER 4 59.194 1.078 -10.262 24 H PHE 5 HN PHE 5 57.423 3.095 -7.311 25 HA PHE 5 HA PHE 5 57.466 3.046 -4.451 26 HB2 PHE 5 HB2 PHE 5 55.573 4.641 -6.220 27 HB3 PHE 5 HB1 PHE 5 56.108 5.042 -4.569 28 HD1 PHE 5 HD1 PHE 5 58.340 5.931 -4.142 29 HD2 PHE 5 HD2 PHE 5 57.130 4.819 -8.132 30 HE1 PHE 5 HE1 PHE 5 60.322 7.121 -5.074 31 HE2 PHE 5 HE2 PHE 5 59.112 6.008 -9.065 32 HZ PHE 5 HZ PHE 5 60.644 7.249 -7.543 33 H PHE 6 HN PHE 6 55.805 2.780 -2.917 34 HA PHE 6 HA PHE 6 53.144 1.941 -3.669 35 HB2 PHE 6 HB2 PHE 6 54.346 -0.106 -4.360 36 HB3 PHE 6 HB1 PHE 6 55.035 -0.251 -2.726 37 HD1 PHE 6 HD1 PHE 6 53.853 -1.504 -1.097 38 HD2 PHE 6 HD2 PHE 6 51.719 0.116 -4.481 39 HE1 PHE 6 HE1 PHE 6 51.783 -2.671 -0.351 40 HE2 PHE 6 HE2 PHE 6 49.649 -1.052 -3.733 41 HZ PHE 6 HZ PHE 6 49.665 -2.386 -1.630 42 H LYS 7 HN LYS 7 55.233 0.583 -1.108 43 HA LYS 7 HA LYS 7 55.030 0.723 1.197 44 HB2 LYS 7 HB2 LYS 7 54.261 3.592 0.516 45 HB3 LYS 7 HB1 LYS 7 54.757 3.006 2.124 46 HG2 LYS 7 HG2 LYS 7 56.939 2.288 1.186 47 HG3 LYS 7 HG1 LYS 7 56.447 2.895 -0.414 48 HD2 LYS 7 HD2 LYS 7 56.244 5.175 0.476 49 HD3 LYS 7 HD1 LYS 7 56.638 4.594 2.112 50 HE2 LYS 7 HE2 LYS 7 58.660 5.526 1.137 51 HE3 LYS 7 HE1 LYS 7 58.842 3.756 1.205 52 HZ1 LYS 7 HZ1 LYS 7 58.676 5.507 -1.083 53 HZ2 LYS 7 HZ2 LYS 7 57.659 4.151 -1.195 54 HZ3 LYS 7 HZ3 LYS 7 59.329 3.947 -0.954 55 H LYS 8 HN LYS 8 52.922 3.068 2.000 56 HA LYS 8 HA LYS 8 50.877 1.207 2.817 57 HB2 LYS 8 HB2 LYS 8 50.793 4.245 2.625 58 HB3 LYS 8 HB1 LYS 8 49.648 3.224 3.528 59 HG2 LYS 8 HG2 LYS 8 51.602 2.324 4.851 60 HG3 LYS 8 HG1 LYS 8 52.639 3.521 4.037 61 HD2 LYS 8 HD2 LYS 8 51.235 5.354 4.910 62 HD3 LYS 8 HD1 LYS 8 50.163 4.170 5.698 63 HE2 LYS 8 HE2 LYS 8 51.703 4.976 7.381 64 HE3 LYS 8 HE1 LYS 8 52.193 3.316 6.965 65 HZ1 LYS 8 HZ1 LYS 8 53.965 5.173 7.051 66 HZ2 LYS 8 HZ2 LYS 8 53.360 5.617 5.526 67 HZ3 LYS 8 HZ3 LYS 8 54.002 4.063 5.769 68 H ALA 9 HN ALA 9 48.859 0.771 2.023 69 HA ALA 9 HA ALA 9 48.498 1.057 -0.829 70 HB1 ALA 9 HB1 ALA 9 46.337 -0.000 -0.446 71 HB2 ALA 9 HB2 ALA 9 46.457 0.324 1.301 72 HB3 ALA 9 HB3 ALA 9 47.583 -0.817 0.527 73 H ALA 10 HN ALA 10 47.074 2.325 -2.012 74 HA ALA 10 HA ALA 10 46.005 4.322 -2.517 75 HB1 ALA 10 HB1 ALA 10 44.173 4.982 -1.004 76 HB2 ALA 10 HB2 ALA 10 44.808 3.881 0.242 77 HB3 ALA 10 HB3 ALA 10 44.181 3.225 -1.289 78 H HIS 11 HN HIS 11 45.321 6.585 -1.328 79 HA HIS 11 HA HIS 11 47.132 7.533 0.696 80 HB2 HIS 11 HB2 HIS 11 48.494 9.042 -0.824 81 HB3 HIS 11 HB1 HIS 11 48.893 7.310 -0.927 82 HD1 HIS 11 HD1 HIS 11 49.817 8.183 -3.393 83 HD2 HIS 11 HD2 HIS 11 45.660 7.886 -2.839 84 HE1 HIS 11 HE1 HIS 11 48.739 8.178 -5.708 85 H ALA 12 HN ALA 12 44.320 7.626 -0.164 86 HA ALA 12 HA ALA 12 43.797 10.323 -1.138 87 HB1 ALA 12 HB1 ALA 12 41.440 9.774 -0.439 88 HB2 ALA 12 HB2 ALA 12 42.048 8.217 0.174 89 HB3 ALA 12 HB3 ALA 12 42.171 8.602 -1.560 90 H GLY 13 HN GLY 13 45.198 11.483 0.381 91 HA2 GLY 13 HA1 GLY 13 45.307 12.973 2.155 92 HA3 GLY 13 HA2 GLY 13 43.629 12.561 2.559 93 H LYS 14 HN LYS 14 47.022 11.556 2.894 94 HA LYS 14 HA LYS 14 46.579 10.764 5.649 95 HB2 LYS 14 HB2 LYS 14 45.565 8.792 4.579 96 HB3 LYS 14 HB1 LYS 14 47.041 8.548 3.614 97 HG2 LYS 14 HG2 LYS 14 48.350 8.025 5.545 98 HG3 LYS 14 HG1 LYS 14 47.105 8.643 6.656 99 HD2 LYS 14 HD2 LYS 14 47.147 6.144 6.568 100 HD3 LYS 14 HD1 LYS 14 45.589 6.817 6.034 101 HE2 LYS 14 HE2 LYS 14 46.065 6.398 3.740 102 HE3 LYS 14 HE1 LYS 14 47.802 6.162 4.053 103 HZ1 LYS 14 HZ1 LYS 14 47.154 4.198 5.417 104 HZ2 LYS 14 HZ2 LYS 14 46.809 4.038 3.761 105 HZ3 LYS 14 HZ3 LYS 14 45.562 4.381 4.863 106 H HIS 15 HN HIS 15 48.477 11.215 2.808 107 HA HIS 15 HA HIS 15 50.857 11.733 4.416 108 HB2 HIS 15 HB2 HIS 15 50.916 9.230 4.220 109 HB3 HIS 15 HB1 HIS 15 50.972 9.413 2.449 110 HD1 HIS 15 HD1 HIS 15 53.271 9.429 1.502 111 HD2 HIS 15 HD2 HIS 15 53.177 10.990 5.405 112 HE1 HIS 15 HE1 HIS 15 55.676 9.992 2.155 113 H ALA 16 HN ALA 16 48.949 11.829 1.598 114 HA ALA 16 HA ALA 16 50.507 14.018 0.510 115 HB1 ALA 16 HB1 ALA 16 51.886 12.045 -0.208 116 HB2 ALA 16 HB2 ALA 16 51.241 13.011 -1.556 117 HB3 ALA 16 HB3 ALA 16 50.479 11.461 -1.126 118 H GLY 17 HN GLY 17 48.023 14.234 1.244 119 HA2 GLY 17 HA1 GLY 17 46.574 14.556 -1.306 120 HA3 GLY 17 HA2 GLY 17 45.840 13.421 -0.155 121 H LYS 18 HN LYS 18 47.107 16.748 -0.452 122 HA LYS 18 HA LYS 18 46.415 18.720 0.538 123 HB2 LYS 18 HB2 LYS 18 44.327 18.198 -0.672 124 HB3 LYS 18 HB1 LYS 18 43.746 17.265 0.729 125 HG2 LYS 18 HG2 LYS 18 43.668 19.221 2.122 126 HG3 LYS 18 HG1 LYS 18 44.572 20.190 0.933 127 HD2 LYS 18 HD2 LYS 18 42.723 20.109 -0.638 128 HD3 LYS 18 HD1 LYS 18 41.837 18.959 0.391 129 HE2 LYS 18 HE2 LYS 18 42.647 21.753 1.300 130 HE3 LYS 18 HE1 LYS 18 41.059 21.368 0.595 131 HZ1 LYS 18 HZ1 LYS 18 40.392 20.419 2.483 132 HZ2 LYS 18 HZ2 LYS 18 41.728 21.162 3.225 133 HZ3 LYS 18 HZ3 LYS 18 41.837 19.555 2.686 134 H ALA 19 HN ALA 19 44.206 16.601 2.378 135 HA ALA 19 HA ALA 19 44.548 17.791 4.864 136 HB1 ALA 19 HB1 ALA 19 44.209 14.826 4.297 137 HB2 ALA 19 HB2 ALA 19 42.904 16.032 4.398 138 HB3 ALA 19 HB3 ALA 19 43.864 15.635 5.843 139 H ALA 20 HN ALA 20 46.632 15.350 3.325 140 HA ALA 20 HA ALA 20 48.286 14.884 5.637 141 HB1 ALA 20 HB1 ALA 20 49.044 14.661 2.705 142 HB2 ALA 20 HB2 ALA 20 48.159 13.414 3.617 143 HB3 ALA 20 HB3 ALA 20 49.824 13.845 4.080 144 H LEU 21 HN LEU 21 48.641 17.032 2.787 145 HA LEU 21 HA LEU 21 51.154 18.147 3.610 146 HB2 LEU 21 HB2 LEU 21 49.036 19.610 1.997 147 HB3 LEU 21 HB1 LEU 21 50.804 19.779 1.908 148 HG LEU 21 HG LEU 21 49.162 17.346 1.077 149 HD11 LEU 21 HD11 LEU 21 49.916 17.891 -1.166 150 HD12 LEU 21 HD12 LEU 21 50.963 19.191 -0.548 151 HD13 LEU 21 HD13 LEU 21 49.193 19.355 -0.457 152 HD21 LEU 21 HD21 LEU 21 51.495 16.583 0.226 153 HD22 LEU 21 HD22 LEU 21 51.193 16.458 1.974 154 HD23 LEU 21 HD23 LEU 21 52.164 17.806 1.333 155 H THR 22 HN THR 22 47.906 19.691 3.676 156 HA THR 22 HA THR 22 48.647 21.879 5.304 157 HB THR 22 HB THR 22 45.949 20.453 5.316 158 HG1 THR 22 HG1 THR 22 45.568 21.446 3.480 159 HG21 THR 22 HG21 THR 22 46.117 22.067 7.114 160 HG22 THR 22 HG22 THR 22 45.147 22.799 5.815 161 HG23 THR 22 HG23 THR 22 46.849 23.272 6.030 162 H HIS 23 HN HIS 23 46.961 18.877 6.351 163 HA HIS 23 HA HIS 23 46.857 17.876 8.438 164 HB2 HIS 23 HB2 HIS 23 49.208 17.390 7.936 165 HB3 HIS 23 HB1 HIS 23 49.698 18.964 8.602 166 HD1 HIS 23 HD1 HIS 23 50.776 18.550 10.815 167 HD2 HIS 23 HD2 HIS 23 47.307 16.235 10.286 168 HE1 HIS 23 HE1 HIS 23 50.397 17.242 12.977 169 H TYR 24 HN TYR 24 49.116 20.347 9.610 170 HA TYR 24 HA TYR 24 47.650 20.967 11.924 171 HB2 TYR 24 HB2 TYR 24 49.388 22.906 10.349 172 HB3 TYR 24 HB1 TYR 24 49.018 22.965 12.090 173 HD1 TYR 24 HD1 TYR 24 50.025 21.369 13.657 174 HD2 TYR 24 HD2 TYR 24 50.919 21.214 9.437 175 HE1 TYR 24 HE1 TYR 24 51.954 19.860 14.121 176 HE2 TYR 24 HE2 TYR 24 52.848 19.706 9.901 177 HH TYR 24 HH TYR 24 54.276 19.579 12.809 178 H LEU 25 HN LEU 25 45.523 21.426 11.873 179 HA LEU 25 HA LEU 25 43.556 22.541 11.346 180 HB2 LEU 25 HB2 LEU 25 45.285 24.959 10.726 181 HB3 LEU 25 HB1 LEU 25 43.653 24.910 11.436 182 HG LEU 25 HG LEU 25 46.237 23.944 12.740 183 HD11 LEU 25 HD11 LEU 25 44.312 26.212 13.429 184 HD12 LEU 25 HD12 LEU 25 45.916 26.410 12.680 185 HD13 LEU 25 HD13 LEU 25 45.779 25.774 14.338 186 HD21 LEU 25 HD21 LEU 25 43.313 23.758 13.582 187 HD22 LEU 25 HD22 LEU 25 44.643 23.692 14.765 188 HD23 LEU 25 HD23 LEU 25 44.520 22.453 13.494 Start of MODEL 21 1 H1 GLY 1 HT1 GLY 1 60.040 -1.904 -10.585 2 H2 GLY 1 HT2 GLY 1 59.720 -0.680 -9.452 3 H3 GLY 1 HT3 GLY 1 58.452 -1.634 -10.060 4 HA2 GLY 1 HA1 GLY 1 60.609 -2.383 -8.218 5 HA3 GLY 1 HA2 GLY 1 58.856 -2.447 -7.956 6 H TRP 2 HN TRP 2 58.952 -4.638 -7.369 7 HA TRP 2 HA TRP 2 60.144 -6.663 -9.007 8 HB2 TRP 2 HB2 TRP 2 59.422 -6.934 -6.614 9 HB3 TRP 2 HB1 TRP 2 57.733 -6.945 -7.173 10 HD1 TRP 2 HD1 TRP 2 56.948 -9.012 -8.676 11 HE1 TRP 2 HE1 TRP 2 57.850 -11.439 -8.927 12 HE3 TRP 2 HE3 TRP 2 61.579 -8.372 -6.589 13 HZ2 TRP 2 HZ2 TRP 2 60.264 -12.874 -8.297 14 HZ3 TRP 2 HZ3 TRP 2 63.165 -10.284 -6.424 15 HH2 TRP 2 HH2 TRP 2 62.513 -12.532 -7.276 16 H GLY 3 HN GLY 3 57.100 -4.932 -9.181 17 HA2 GLY 3 HA1 GLY 3 56.606 -5.775 -11.863 18 HA3 GLY 3 HA2 GLY 3 55.609 -6.750 -10.766 19 H SER 4 HN SER 4 56.626 -3.306 -10.886 20 HA SER 4 HA SER 4 53.878 -2.427 -11.379 21 HB2 SER 4 HB2 SER 4 55.112 -1.804 -8.669 22 HB3 SER 4 HB1 SER 4 53.531 -1.261 -9.275 23 HG SER 4 HG SER 4 54.094 -3.489 -7.984 24 H PHE 5 HN PHE 5 53.716 -0.154 -11.718 25 HA PHE 5 HA PHE 5 56.167 0.960 -12.822 26 HB2 PHE 5 HB2 PHE 5 53.562 2.442 -12.324 27 HB3 PHE 5 HB1 PHE 5 54.795 2.761 -13.570 28 HD1 PHE 5 HD1 PHE 5 55.083 1.206 -15.491 29 HD2 PHE 5 HD2 PHE 5 51.930 0.664 -12.595 30 HE1 PHE 5 HE1 PHE 5 53.922 -0.357 -17.046 31 HE2 PHE 5 HE2 PHE 5 50.770 -0.899 -14.151 32 HZ PHE 5 HZ PHE 5 51.819 -1.486 -16.332 33 H PHE 6 HN PHE 6 54.324 1.351 -9.829 34 HA PHE 6 HA PHE 6 56.592 2.623 -8.544 35 HB2 PHE 6 HB2 PHE 6 55.571 4.517 -9.933 36 HB3 PHE 6 HB1 PHE 6 54.145 4.399 -8.877 37 HD1 PHE 6 HD1 PHE 6 57.812 5.090 -8.958 38 HD2 PHE 6 HD2 PHE 6 54.195 5.231 -6.607 39 HE1 PHE 6 HE1 PHE 6 58.980 6.468 -7.243 40 HE2 PHE 6 HE2 PHE 6 55.365 6.610 -4.891 41 HZ PHE 6 HZ PHE 6 57.744 7.265 -5.233 42 H LYS 7 HN LYS 7 55.931 3.444 -6.290 43 HA LYS 7 HA LYS 7 54.597 1.293 -4.946 44 HB2 LYS 7 HB2 LYS 7 55.288 4.113 -4.031 45 HB3 LYS 7 HB1 LYS 7 54.706 2.819 -2.955 46 HG2 LYS 7 HG2 LYS 7 56.627 1.417 -3.527 47 HG3 LYS 7 HG1 LYS 7 57.185 2.618 -4.717 48 HD2 LYS 7 HD2 LYS 7 57.395 4.297 -2.865 49 HD3 LYS 7 HD1 LYS 7 56.961 3.020 -1.703 50 HE2 LYS 7 HE2 LYS 7 58.911 1.676 -2.481 51 HE3 LYS 7 HE1 LYS 7 59.361 2.995 -3.587 52 HZ1 LYS 7 HZ1 LYS 7 58.915 3.845 -0.865 53 HZ2 LYS 7 HZ2 LYS 7 60.203 4.193 -1.918 54 HZ3 LYS 7 HZ3 LYS 7 60.198 2.748 -1.024 55 H LYS 8 HN LYS 8 52.512 0.839 -4.810 56 HA LYS 8 HA LYS 8 50.450 2.487 -5.847 57 HB2 LYS 8 HB2 LYS 8 50.263 0.035 -5.425 58 HB3 LYS 8 HB1 LYS 8 50.210 0.366 -3.676 59 HG2 LYS 8 HG2 LYS 8 48.160 1.645 -3.911 60 HG3 LYS 8 HG1 LYS 8 48.254 1.557 -5.687 61 HD2 LYS 8 HD2 LYS 8 47.969 -0.876 -5.621 62 HD3 LYS 8 HD1 LYS 8 47.987 -0.856 -3.840 63 HE2 LYS 8 HE2 LYS 8 45.971 0.675 -3.917 64 HE3 LYS 8 HE1 LYS 8 45.905 0.405 -5.676 65 HZ1 LYS 8 HZ1 LYS 8 44.596 -1.112 -3.971 66 HZ2 LYS 8 HZ2 LYS 8 46.074 -1.953 -3.947 67 HZ3 LYS 8 HZ3 LYS 8 45.241 -1.734 -5.412 68 H ALA 9 HN ALA 9 51.639 2.074 -2.501 69 HA ALA 9 HA ALA 9 49.669 3.809 -1.315 70 HB1 ALA 9 HB1 ALA 9 51.082 3.752 0.643 71 HB2 ALA 9 HB2 ALA 9 52.475 3.208 -0.324 72 HB3 ALA 9 HB3 ALA 9 51.074 2.132 -0.094 73 H ALA 10 HN ALA 10 49.967 5.923 -0.424 74 HA ALA 10 HA ALA 10 52.233 7.567 -1.076 75 HB1 ALA 10 HB1 ALA 10 51.524 7.446 -3.365 76 HB2 ALA 10 HB2 ALA 10 51.040 9.045 -2.749 77 HB3 ALA 10 HB3 ALA 10 49.829 7.751 -2.919 78 H HIS 11 HN HIS 11 49.794 6.790 0.775 79 HA HIS 11 HA HIS 11 48.270 9.129 1.266 80 HB2 HIS 11 HB2 HIS 11 49.250 7.012 3.222 81 HB3 HIS 11 HB1 HIS 11 47.958 8.193 3.550 82 HD1 HIS 11 HD1 HIS 11 48.337 4.801 2.546 83 HD2 HIS 11 HD2 HIS 11 45.988 7.974 1.099 84 HE1 HIS 11 HE1 HIS 11 46.390 3.777 1.247 85 H ALA 12 HN ALA 12 49.009 11.113 1.617 86 HA ALA 12 HA ALA 12 51.639 11.727 2.529 87 HB1 ALA 12 HB1 ALA 12 50.836 13.999 2.756 88 HB2 ALA 12 HB2 ALA 12 49.146 13.440 2.800 89 HB3 ALA 12 HB3 ALA 12 50.102 13.275 1.307 90 H GLY 13 HN GLY 13 48.524 11.496 4.270 91 HA2 GLY 13 HA1 GLY 13 49.877 10.759 6.722 92 HA3 GLY 13 HA2 GLY 13 49.309 12.440 6.777 93 H LYS 14 HN LYS 14 46.932 12.458 5.546 94 HA LYS 14 HA LYS 14 45.249 10.212 6.307 95 HB2 LYS 14 HB2 LYS 14 45.769 11.271 8.547 96 HB3 LYS 14 HB1 LYS 14 44.944 12.739 7.970 97 HG2 LYS 14 HG2 LYS 14 42.870 11.476 7.612 98 HG3 LYS 14 HG1 LYS 14 43.684 9.964 8.083 99 HD2 LYS 14 HD2 LYS 14 44.128 10.909 10.336 100 HD3 LYS 14 HD1 LYS 14 43.288 12.407 9.867 101 HE2 LYS 14 HE2 LYS 14 41.214 11.105 9.448 102 HE3 LYS 14 HE1 LYS 14 42.055 9.618 9.948 103 HZ1 LYS 14 HZ1 LYS 14 40.688 10.792 11.702 104 HZ2 LYS 14 HZ2 LYS 14 41.873 12.009 11.698 105 HZ3 LYS 14 HZ3 LYS 14 42.286 10.418 12.128 106 H HIS 15 HN HIS 15 43.429 10.251 5.127 107 HA HIS 15 HA HIS 15 41.945 11.007 3.508 108 HB2 HIS 15 HB2 HIS 15 41.070 12.181 5.530 109 HB3 HIS 15 HB1 HIS 15 42.085 13.586 5.121 110 HD1 HIS 15 HD1 HIS 15 40.744 15.346 3.987 111 HD2 HIS 15 HD2 HIS 15 39.431 11.484 2.969 112 HE1 HIS 15 HE1 HIS 15 38.850 15.608 2.292 113 H ALA 16 HN ALA 16 44.988 11.720 3.386 114 HA ALA 16 HA ALA 16 46.383 12.878 1.935 115 HB1 ALA 16 HB1 ALA 16 43.886 12.664 0.221 116 HB2 ALA 16 HB2 ALA 16 45.256 11.528 0.275 117 HB3 ALA 16 HB3 ALA 16 45.483 13.166 -0.385 118 H GLY 17 HN GLY 17 44.926 14.463 3.860 119 HA2 GLY 17 HA1 GLY 17 44.059 16.901 2.448 120 HA3 GLY 17 HA2 GLY 17 44.143 16.648 4.203 121 H LYS 18 HN LYS 18 46.820 15.993 2.000 122 HA LYS 18 HA LYS 18 48.925 16.941 1.850 123 HB2 LYS 18 HB2 LYS 18 47.659 19.541 2.781 124 HB3 LYS 18 HB1 LYS 18 49.117 19.326 1.785 125 HG2 LYS 18 HG2 LYS 18 47.725 18.292 -0.003 126 HG3 LYS 18 HG1 LYS 18 46.271 18.574 0.986 127 HD2 LYS 18 HD2 LYS 18 46.656 20.994 0.931 128 HD3 LYS 18 HD1 LYS 18 48.183 20.758 0.047 129 HE2 LYS 18 HE2 LYS 18 46.475 21.353 -1.570 130 HE3 LYS 18 HE1 LYS 18 46.853 19.627 -1.786 131 HZ1 LYS 18 HZ1 LYS 18 44.913 19.460 0.010 132 HZ2 LYS 18 HZ2 LYS 18 44.618 19.466 -1.664 133 HZ3 LYS 18 HZ3 LYS 18 44.432 20.893 -0.761 134 H ALA 19 HN ALA 19 47.307 16.521 4.687 135 HA ALA 19 HA ALA 19 49.667 16.351 6.275 136 HB1 ALA 19 HB1 ALA 19 49.064 18.275 7.876 137 HB2 ALA 19 HB2 ALA 19 48.083 18.921 6.539 138 HB3 ALA 19 HB3 ALA 19 49.840 18.720 6.340 139 H ALA 20 HN ALA 20 46.376 17.647 6.900 140 HA ALA 20 HA ALA 20 45.405 15.099 7.902 141 HB1 ALA 20 HB1 ALA 20 46.812 15.621 9.809 142 HB2 ALA 20 HB2 ALA 20 45.108 15.852 10.265 143 HB3 ALA 20 HB3 ALA 20 46.131 17.262 9.907 144 H LEU 21 HN LEU 21 43.574 15.378 6.718 145 HA LEU 21 HA LEU 21 41.522 16.265 6.097 146 HB2 LEU 21 HB2 LEU 21 41.757 17.173 8.987 147 HB3 LEU 21 HB1 LEU 21 40.324 17.566 8.011 148 HG LEU 21 HG LEU 21 39.887 15.200 7.602 149 HD11 LEU 21 HD11 LEU 21 42.553 14.827 9.021 150 HD12 LEU 21 HD12 LEU 21 42.053 14.220 7.423 151 HD13 LEU 21 HD13 LEU 21 41.362 13.510 8.899 152 HD21 LEU 21 HD21 LEU 21 39.289 14.533 9.851 153 HD22 LEU 21 HD22 LEU 21 39.148 16.306 9.771 154 HD23 LEU 21 HD23 LEU 21 40.563 15.558 10.554 155 H THR 22 HN THR 22 42.283 18.983 8.252 156 HA THR 22 HA THR 22 43.176 20.695 6.045 157 HB THR 22 HB THR 22 40.568 21.531 7.383 158 HG1 THR 22 HG1 THR 22 40.155 20.770 4.887 159 HG21 THR 22 HG21 THR 22 40.459 23.139 5.636 160 HG22 THR 22 HG22 THR 22 41.653 22.270 4.645 161 HG23 THR 22 HG23 THR 22 42.173 23.135 6.109 162 H HIS 23 HN HIS 23 44.365 19.884 8.441 163 HA HIS 23 HA HIS 23 43.970 21.968 10.470 164 HB2 HIS 23 HB2 HIS 23 46.075 19.801 10.109 165 HB3 HIS 23 HB1 HIS 23 45.997 20.896 11.508 166 HD1 HIS 23 HD1 HIS 23 42.700 19.938 10.090 167 HD2 HIS 23 HD2 HIS 23 45.282 18.568 13.113 168 HE1 HIS 23 HE1 HIS 23 41.377 18.300 11.536 169 H TYR 24 HN TYR 24 45.986 23.156 11.286 170 HA TYR 24 HA TYR 24 47.457 24.897 10.845 171 HB2 TYR 24 HB2 TYR 24 48.441 23.095 8.600 172 HB3 TYR 24 HB1 TYR 24 49.359 24.357 9.455 173 HD1 TYR 24 HD1 TYR 24 49.779 24.097 11.958 174 HD2 TYR 24 HD2 TYR 24 48.284 20.879 9.500 175 HE1 TYR 24 HE1 TYR 24 50.451 22.451 13.703 176 HE2 TYR 24 HE2 TYR 24 48.957 19.233 11.246 177 HH TYR 24 HH TYR 24 49.647 20.132 14.400 178 H LEU 25 HN LEU 25 45.841 26.375 10.175 179 HA LEU 25 HA LEU 25 45.058 26.542 7.372 180 HB2 LEU 25 HB2 LEU 25 44.839 28.783 9.409 181 HB3 LEU 25 HB1 LEU 25 43.777 28.427 8.027 182 HG LEU 25 HG LEU 25 44.088 26.751 10.558 183 HD11 LEU 25 HD11 LEU 25 41.774 28.383 9.422 184 HD12 LEU 25 HD12 LEU 25 42.746 28.798 10.854 185 HD13 LEU 25 HD13 LEU 25 41.694 27.362 10.876 186 HD21 LEU 25 HD21 LEU 25 42.111 25.485 9.478 187 HD22 LEU 25 HD22 LEU 25 43.715 25.200 8.768 188 HD23 LEU 25 HD23 LEU 25 42.564 26.292 7.958 Start of MODEL 22 1 H1 GLY 1 HT1 GLY 1 63.179 1.851 -14.898 2 H2 GLY 1 HT2 GLY 1 62.440 0.752 -13.832 3 H3 GLY 1 HT3 GLY 1 63.360 2.045 -13.224 4 HA2 GLY 1 HA1 GLY 1 61.525 3.172 -13.031 5 HA3 GLY 1 HA2 GLY 1 61.530 3.249 -14.804 6 H TRP 2 HN TRP 2 61.172 0.265 -12.946 7 HA TRP 2 HA TRP 2 58.948 -0.678 -14.373 8 HB2 TRP 2 HB2 TRP 2 59.506 -1.197 -11.428 9 HB3 TRP 2 HB1 TRP 2 58.619 -2.249 -12.558 10 HD1 TRP 2 HD1 TRP 2 60.046 -3.429 -14.510 11 HE1 TRP 2 HE1 TRP 2 62.554 -4.099 -14.662 12 HE3 TRP 2 HE3 TRP 2 61.888 -0.534 -10.710 13 HZ2 TRP 2 HZ2 TRP 2 65.006 -3.445 -13.301 14 HZ3 TRP 2 HZ3 TRP 2 64.314 -0.574 -10.154 15 HH2 TRP 2 HH2 TRP 2 65.874 -2.026 -11.445 16 H GLY 3 HN GLY 3 59.107 1.862 -12.050 17 HA2 GLY 3 HA1 GLY 3 57.467 3.235 -11.179 18 HA3 GLY 3 HA2 GLY 3 56.408 2.652 -12.478 19 H SER 4 HN SER 4 57.679 0.158 -10.509 20 HA SER 4 HA SER 4 55.044 -0.544 -9.547 21 HB2 SER 4 HB2 SER 4 56.579 -2.331 -9.883 22 HB3 SER 4 HB1 SER 4 57.844 -1.532 -8.924 23 HG SER 4 HG SER 4 55.689 -1.736 -7.400 24 H PHE 5 HN PHE 5 54.045 0.847 -8.198 25 HA PHE 5 HA PHE 5 55.447 2.359 -6.168 26 HB2 PHE 5 HB2 PHE 5 53.123 2.833 -5.328 27 HB3 PHE 5 HB1 PHE 5 53.349 3.182 -7.059 28 HD1 PHE 5 HD1 PHE 5 52.397 1.693 -8.787 29 HD2 PHE 5 HD2 PHE 5 51.739 0.967 -4.583 30 HE1 PHE 5 HE1 PHE 5 50.555 0.112 -9.348 31 HE2 PHE 5 HE2 PHE 5 49.897 -0.615 -5.145 32 HZ PHE 5 HZ PHE 5 49.353 -1.095 -7.529 33 H PHE 6 HN PHE 6 56.150 1.748 -4.238 34 HA PHE 6 HA PHE 6 55.638 -0.962 -3.281 35 HB2 PHE 6 HB2 PHE 6 56.984 1.391 -1.893 36 HB3 PHE 6 HB1 PHE 6 57.071 -0.316 -1.398 37 HD1 PHE 6 HD1 PHE 6 58.175 -2.003 -2.902 38 HD2 PHE 6 HD2 PHE 6 58.330 2.234 -3.711 39 HE1 PHE 6 HE1 PHE 6 60.073 -2.373 -4.472 40 HE2 PHE 6 HE2 PHE 6 60.229 1.863 -5.281 41 HZ PHE 6 HZ PHE 6 61.137 -0.432 -5.617 42 H LYS 7 HN LYS 7 54.622 -1.580 -1.334 43 HA LYS 7 HA LYS 7 52.150 -0.184 -0.822 44 HB2 LYS 7 HB2 LYS 7 53.588 -2.405 0.682 45 HB3 LYS 7 HB1 LYS 7 51.949 -1.830 1.076 46 HG2 LYS 7 HG2 LYS 7 51.180 -2.393 -1.196 47 HG3 LYS 7 HG1 LYS 7 52.822 -2.921 -1.635 48 HD2 LYS 7 HD2 LYS 7 52.695 -4.602 0.261 49 HD3 LYS 7 HD1 LYS 7 50.979 -4.165 0.448 50 HE2 LYS 7 HE2 LYS 7 52.286 -5.271 -2.076 51 HE3 LYS 7 HE1 LYS 7 51.188 -6.153 -0.988 52 HZ1 LYS 7 HZ1 LYS 7 49.505 -4.409 -1.465 53 HZ2 LYS 7 HZ2 LYS 7 49.934 -5.332 -2.826 54 HZ3 LYS 7 HZ3 LYS 7 50.548 -3.759 -2.635 55 H LYS 8 HN LYS 8 51.443 0.909 1.042 56 HA LYS 8 HA LYS 8 53.331 1.566 3.176 57 HB2 LYS 8 HB2 LYS 8 54.057 3.056 1.246 58 HB3 LYS 8 HB1 LYS 8 52.464 3.842 1.355 59 HG2 LYS 8 HG2 LYS 8 52.896 4.453 3.700 60 HG3 LYS 8 HG1 LYS 8 54.464 3.611 3.648 61 HD2 LYS 8 HD2 LYS 8 55.239 5.144 1.869 62 HD3 LYS 8 HD1 LYS 8 53.669 5.982 1.901 63 HE2 LYS 8 HE2 LYS 8 55.181 7.285 3.256 64 HE3 LYS 8 HE1 LYS 8 54.083 6.440 4.373 65 HZ1 LYS 8 HZ1 LYS 8 56.908 6.232 4.135 66 HZ2 LYS 8 HZ2 LYS 8 56.188 4.709 3.913 67 HZ3 LYS 8 HZ3 LYS 8 55.884 5.598 5.329 68 H ALA 9 HN ALA 9 50.296 2.141 1.446 69 HA ALA 9 HA ALA 9 48.179 2.668 2.232 70 HB1 ALA 9 HB1 ALA 9 47.488 1.628 4.286 71 HB2 ALA 9 HB2 ALA 9 49.167 1.545 4.871 72 HB3 ALA 9 HB3 ALA 9 48.652 0.540 3.496 73 H ALA 10 HN ALA 10 48.421 4.921 2.055 74 HA ALA 10 HA ALA 10 48.095 6.319 4.586 75 HB1 ALA 10 HB1 ALA 10 50.564 7.019 2.968 76 HB2 ALA 10 HB2 ALA 10 50.596 6.028 4.446 77 HB3 ALA 10 HB3 ALA 10 50.044 7.718 4.519 78 H HIS 11 HN HIS 11 46.143 6.498 3.129 79 HA HIS 11 HA HIS 11 46.100 9.156 2.001 80 HB2 HIS 11 HB2 HIS 11 47.268 7.996 0.137 81 HB3 HIS 11 HB1 HIS 11 45.900 6.864 0.008 82 HD1 HIS 11 HD1 HIS 11 44.265 7.507 -1.749 83 HD2 HIS 11 HD2 HIS 11 46.048 10.871 0.035 84 HE1 HIS 11 HE1 HIS 11 43.322 9.576 -2.913 85 H ALA 12 HN ALA 12 44.021 9.903 1.690 86 HA ALA 12 HA ALA 12 41.745 8.158 1.411 87 HB1 ALA 12 HB1 ALA 12 40.758 8.575 3.676 88 HB2 ALA 12 HB2 ALA 12 42.335 9.218 4.194 89 HB3 ALA 12 HB3 ALA 12 42.187 7.515 3.698 90 H GLY 13 HN GLY 13 43.027 11.243 2.649 91 HA2 GLY 13 HA1 GLY 13 40.591 12.724 2.272 92 HA3 GLY 13 HA2 GLY 13 42.224 13.404 2.428 93 H LYS 14 HN LYS 14 43.588 13.501 0.524 94 HA LYS 14 HA LYS 14 42.215 13.194 -2.096 95 HB2 LYS 14 HB2 LYS 14 43.227 15.870 -1.045 96 HB3 LYS 14 HB1 LYS 14 42.782 15.546 -2.737 97 HG2 LYS 14 HG2 LYS 14 40.494 14.800 -1.866 98 HG3 LYS 14 HG1 LYS 14 40.974 15.468 -0.288 99 HD2 LYS 14 HD2 LYS 14 41.378 17.677 -1.356 100 HD3 LYS 14 HD1 LYS 14 40.852 17.005 -2.919 101 HE2 LYS 14 HE2 LYS 14 38.632 16.480 -1.948 102 HE3 LYS 14 HE1 LYS 14 39.155 17.160 -0.388 103 HZ1 LYS 14 HZ1 LYS 14 39.643 19.258 -1.681 104 HZ2 LYS 14 HZ2 LYS 14 38.001 18.867 -1.491 105 HZ3 LYS 14 HZ3 LYS 14 38.781 18.575 -2.972 106 H HIS 15 HN HIS 15 45.079 14.106 -0.192 107 HA HIS 15 HA HIS 15 46.794 12.537 -1.937 108 HB2 HIS 15 HB2 HIS 15 46.475 14.616 -3.313 109 HB3 HIS 15 HB1 HIS 15 47.201 15.551 -1.985 110 HD1 HIS 15 HD1 HIS 15 48.372 12.082 -3.034 111 HD2 HIS 15 HD2 HIS 15 49.624 16.083 -3.347 112 HE1 HIS 15 HE1 HIS 15 50.781 12.061 -3.882 113 H ALA 16 HN ALA 16 46.097 12.735 0.876 114 HA ALA 16 HA ALA 16 48.752 12.580 1.977 115 HB1 ALA 16 HB1 ALA 16 48.776 14.984 1.893 116 HB2 ALA 16 HB2 ALA 16 48.513 14.505 3.586 117 HB3 ALA 16 HB3 ALA 16 47.146 15.077 2.600 118 H GLY 17 HN GLY 17 45.342 13.381 2.747 119 HA2 GLY 17 HA1 GLY 17 43.857 12.170 4.076 120 HA3 GLY 17 HA2 GLY 17 45.122 10.965 4.386 121 H LYS 18 HN LYS 18 47.112 12.778 5.374 122 HA LYS 18 HA LYS 18 46.561 12.749 8.122 123 HB2 LYS 18 HB2 LYS 18 48.329 14.650 6.539 124 HB3 LYS 18 HB1 LYS 18 48.375 14.469 8.308 125 HG2 LYS 18 HG2 LYS 18 48.802 11.997 7.965 126 HG3 LYS 18 HG1 LYS 18 48.962 12.324 6.224 127 HD2 LYS 18 HD2 LYS 18 50.640 13.625 8.417 128 HD3 LYS 18 HD1 LYS 18 51.174 12.281 7.380 129 HE2 LYS 18 HE2 LYS 18 52.056 14.136 6.238 130 HE3 LYS 18 HE1 LYS 18 50.500 13.927 5.401 131 HZ1 LYS 18 HZ1 LYS 18 50.250 15.533 7.756 132 HZ2 LYS 18 HZ2 LYS 18 49.797 15.882 6.156 133 HZ3 LYS 18 HZ3 LYS 18 51.384 16.188 6.679 134 H ALA 19 HN ALA 19 46.075 15.417 5.784 135 HA ALA 19 HA ALA 19 43.788 16.423 7.215 136 HB1 ALA 19 HB1 ALA 19 44.819 18.607 7.923 137 HB2 ALA 19 HB2 ALA 19 46.418 17.885 7.617 138 HB3 ALA 19 HB3 ALA 19 45.355 17.200 8.870 139 H ALA 20 HN ALA 20 44.023 15.746 4.633 140 HA ALA 20 HA ALA 20 43.791 16.542 2.465 141 HB1 ALA 20 HB1 ALA 20 42.953 19.045 3.970 142 HB2 ALA 20 HB2 ALA 20 41.893 17.705 3.470 143 HB3 ALA 20 HB3 ALA 20 42.663 18.738 2.242 144 H LEU 21 HN LEU 21 45.931 16.445 1.798 145 HA LEU 21 HA LEU 21 47.980 17.287 1.097 146 HB2 LEU 21 HB2 LEU 21 46.153 19.699 0.830 147 HB3 LEU 21 HB1 LEU 21 47.870 19.787 0.369 148 HG LEU 21 HG LEU 21 47.580 17.950 -1.225 149 HD11 LEU 21 HD11 LEU 21 45.957 16.529 -0.215 150 HD12 LEU 21 HD12 LEU 21 45.137 17.184 -1.650 151 HD13 LEU 21 HD13 LEU 21 44.778 17.852 -0.039 152 HD21 LEU 21 HD21 LEU 21 46.190 19.099 -2.847 153 HD22 LEU 21 HD22 LEU 21 46.999 20.338 -1.858 154 HD23 LEU 21 HD23 LEU 21 45.290 19.935 -1.559 155 H THR 22 HN THR 22 47.361 17.257 3.974 156 HA THR 22 HA THR 22 48.285 18.027 5.958 157 HB THR 22 HB THR 22 50.514 19.081 4.162 158 HG1 THR 22 HG1 THR 22 51.041 17.074 3.917 159 HG21 THR 22 HG21 THR 22 50.706 19.951 6.409 160 HG22 THR 22 HG22 THR 22 51.874 18.615 6.253 161 HG23 THR 22 HG23 THR 22 50.336 18.358 7.113 162 H HIS 23 HN HIS 23 46.839 19.562 6.636 163 HA HIS 23 HA HIS 23 46.537 22.162 5.538 164 HB2 HIS 23 HB2 HIS 23 44.947 21.140 7.133 165 HB3 HIS 23 HB1 HIS 23 46.164 21.268 8.425 166 HD1 HIS 23 HD1 HIS 23 45.404 23.903 5.756 167 HD2 HIS 23 HD2 HIS 23 44.956 23.328 9.898 168 HE1 HIS 23 HE1 HIS 23 44.654 26.130 6.758 169 H TYR 24 HN TYR 24 47.986 21.572 8.760 170 HA TYR 24 HA TYR 24 50.448 22.962 8.108 171 HB2 TYR 24 HB2 TYR 24 48.754 24.862 8.190 172 HB3 TYR 24 HB1 TYR 24 48.526 24.477 9.913 173 HD1 TYR 24 HD1 TYR 24 50.432 24.692 11.517 174 HD2 TYR 24 HD2 TYR 24 50.765 25.959 7.404 175 HE1 TYR 24 HE1 TYR 24 52.472 26.005 12.085 176 HE2 TYR 24 HE2 TYR 24 52.804 27.272 7.973 177 HH TYR 24 HH TYR 24 53.805 28.206 10.695 178 H LEU 25 HN LEU 25 51.929 22.096 9.396 179 HA LEU 25 HA LEU 25 51.132 20.495 11.688 180 HB2 LEU 25 HB2 LEU 25 53.964 21.416 11.093 181 HB3 LEU 25 HB1 LEU 25 53.420 19.899 11.850 182 HG LEU 25 HG LEU 25 53.039 20.726 8.937 183 HD11 LEU 25 HD11 LEU 25 54.537 18.875 8.457 184 HD12 LEU 25 HD12 LEU 25 54.557 18.386 10.168 185 HD13 LEU 25 HD13 LEU 25 55.320 19.915 9.670 186 HD21 LEU 25 HD21 LEU 25 51.064 19.504 9.546 187 HD22 LEU 25 HD22 LEU 25 51.991 18.360 10.548 188 HD23 LEU 25 HD23 LEU 25 52.136 18.314 8.774 Start of MODEL 23 1 H1 GLY 1 HT1 GLY 1 59.315 -4.415 -9.498 2 H2 GLY 1 HT2 GLY 1 58.649 -2.860 -9.344 3 H3 GLY 1 HT3 GLY 1 59.900 -3.148 -10.458 4 HA2 GLY 1 HA1 GLY 1 57.849 -2.968 -11.601 5 HA3 GLY 1 HA2 GLY 1 58.488 -4.620 -11.702 6 H TRP 2 HN TRP 2 56.966 -3.118 -8.864 7 HA TRP 2 HA TRP 2 54.356 -4.274 -9.335 8 HB2 TRP 2 HB2 TRP 2 55.705 -6.358 -8.893 9 HB3 TRP 2 HB1 TRP 2 56.071 -5.715 -7.274 10 HD1 TRP 2 HD1 TRP 2 53.069 -6.783 -9.450 11 HE1 TRP 2 HE1 TRP 2 51.098 -7.483 -7.904 12 HE3 TRP 2 HE3 TRP 2 55.117 -5.550 -4.923 13 HZ2 TRP 2 HZ2 TRP 2 50.521 -7.492 -5.083 14 HZ3 TRP 2 HZ3 TRP 2 53.838 -5.913 -2.817 15 HH2 TRP 2 HH2 TRP 2 51.544 -6.883 -2.893 16 H GLY 3 HN GLY 3 56.607 -2.381 -7.699 17 HA2 GLY 3 HA1 GLY 3 54.533 -1.047 -6.187 18 HA3 GLY 3 HA2 GLY 3 55.570 -2.022 -5.128 19 H SER 4 HN SER 4 57.452 -1.176 -7.711 20 HA SER 4 HA SER 4 58.999 0.695 -6.143 21 HB2 SER 4 HB2 SER 4 60.442 0.822 -8.057 22 HB3 SER 4 HB1 SER 4 59.865 -0.858 -7.959 23 HG SER 4 HG SER 4 59.374 -0.411 -9.987 24 H PHE 5 HN PHE 5 57.943 2.538 -5.568 25 HA PHE 5 HA PHE 5 56.918 4.605 -5.831 26 HB2 PHE 5 HB2 PHE 5 58.457 4.455 -8.453 27 HB3 PHE 5 HB1 PHE 5 57.673 5.927 -7.827 28 HD1 PHE 5 HD1 PHE 5 60.435 3.508 -7.355 29 HD2 PHE 5 HD2 PHE 5 58.519 7.056 -5.814 30 HE1 PHE 5 HE1 PHE 5 62.420 3.955 -5.917 31 HE2 PHE 5 HE2 PHE 5 60.504 7.503 -4.375 32 HZ PHE 5 HZ PHE 5 62.435 5.927 -4.393 33 H PHE 6 HN PHE 6 55.588 6.015 -7.497 34 HA PHE 6 HA PHE 6 53.541 6.146 -8.584 35 HB2 PHE 6 HB2 PHE 6 54.481 3.682 -10.097 36 HB3 PHE 6 HB1 PHE 6 53.342 4.932 -10.653 37 HD1 PHE 6 HD1 PHE 6 54.165 7.295 -11.025 38 HD2 PHE 6 HD2 PHE 6 56.860 4.008 -10.272 39 HE1 PHE 6 HE1 PHE 6 56.061 8.646 -11.908 40 HE2 PHE 6 HE2 PHE 6 58.756 5.362 -11.157 41 HZ PHE 6 HZ PHE 6 58.370 7.712 -11.886 42 H LYS 7 HN LYS 7 51.579 4.689 -9.393 43 HA LYS 7 HA LYS 7 49.816 3.374 -8.667 44 HB2 LYS 7 HB2 LYS 7 51.972 1.558 -7.524 45 HB3 LYS 7 HB1 LYS 7 50.316 1.107 -7.999 46 HG2 LYS 7 HG2 LYS 7 50.844 1.796 -10.351 47 HG3 LYS 7 HG1 LYS 7 52.524 2.107 -9.850 48 HD2 LYS 7 HD2 LYS 7 52.852 -0.217 -9.249 49 HD3 LYS 7 HD1 LYS 7 51.124 -0.574 -9.487 50 HE2 LYS 7 HE2 LYS 7 52.387 -1.331 -11.446 51 HE3 LYS 7 HE1 LYS 7 51.365 0.053 -11.899 52 HZ1 LYS 7 HZ1 LYS 7 53.175 1.141 -12.519 53 HZ2 LYS 7 HZ2 LYS 7 54.149 -0.189 -12.105 54 HZ3 LYS 7 HZ3 LYS 7 53.826 1.022 -10.957 55 H LYS 8 HN LYS 8 49.164 1.920 -6.529 56 HA LYS 8 HA LYS 8 48.751 3.882 -4.495 57 HB2 LYS 8 HB2 LYS 8 47.959 1.935 -3.124 58 HB3 LYS 8 HB1 LYS 8 47.231 2.008 -4.747 59 HG2 LYS 8 HG2 LYS 8 48.956 0.379 -5.554 60 HG3 LYS 8 HG1 LYS 8 49.573 0.251 -3.889 61 HD2 LYS 8 HD2 LYS 8 47.303 -0.485 -3.137 62 HD3 LYS 8 HD1 LYS 8 46.755 -0.442 -4.829 63 HE2 LYS 8 HE2 LYS 8 49.109 -2.109 -3.844 64 HE3 LYS 8 HE1 LYS 8 47.456 -2.738 -4.042 65 HZ1 LYS 8 HZ1 LYS 8 49.437 -2.059 -6.051 66 HZ2 LYS 8 HZ2 LYS 8 47.859 -1.539 -6.402 67 HZ3 LYS 8 HZ3 LYS 8 48.169 -3.183 -6.109 68 H ALA 9 HN ALA 9 49.361 3.613 -2.172 69 HA ALA 9 HA ALA 9 51.788 2.186 -1.502 70 HB1 ALA 9 HB1 ALA 9 52.915 3.846 -2.827 71 HB2 ALA 9 HB2 ALA 9 53.186 4.248 -1.114 72 HB3 ALA 9 HB3 ALA 9 51.990 5.162 -2.065 73 H ALA 10 HN ALA 10 50.542 5.445 -0.642 74 HA ALA 10 HA ALA 10 49.265 4.456 1.784 75 HB1 ALA 10 HB1 ALA 10 50.784 5.741 3.335 76 HB2 ALA 10 HB2 ALA 10 51.930 5.895 1.982 77 HB3 ALA 10 HB3 ALA 10 51.514 4.285 2.619 78 H HIS 11 HN HIS 11 50.316 6.951 -0.395 79 HA HIS 11 HA HIS 11 49.221 9.234 0.925 80 HB2 HIS 11 HB2 HIS 11 49.247 8.792 -2.081 81 HB3 HIS 11 HB1 HIS 11 49.375 10.329 -1.191 82 HD1 HIS 11 HD1 HIS 11 51.464 9.380 0.972 83 HD2 HIS 11 HD2 HIS 11 51.839 8.838 -3.182 84 HE1 HIS 11 HE1 HIS 11 53.946 9.053 0.468 85 H ALA 12 HN ALA 12 47.218 8.973 1.829 86 HA ALA 12 HA ALA 12 44.958 9.172 0.019 87 HB1 ALA 12 HB1 ALA 12 45.352 6.586 1.557 88 HB2 ALA 12 HB2 ALA 12 45.225 6.785 -0.208 89 HB3 ALA 12 HB3 ALA 12 43.810 7.093 0.828 90 H GLY 13 HN GLY 13 44.935 11.100 1.373 91 HA2 GLY 13 HA1 GLY 13 44.134 12.326 3.165 92 HA3 GLY 13 HA2 GLY 13 42.936 11.030 3.337 93 H LYS 14 HN LYS 14 46.443 11.520 3.969 94 HA LYS 14 HA LYS 14 46.126 11.159 6.814 95 HB2 LYS 14 HB2 LYS 14 45.701 8.808 6.112 96 HB3 LYS 14 HB1 LYS 14 47.286 8.779 5.307 97 HG2 LYS 14 HG2 LYS 14 48.434 9.159 7.423 98 HG3 LYS 14 HG1 LYS 14 46.885 9.397 8.265 99 HD2 LYS 14 HD2 LYS 14 46.234 7.068 7.754 100 HD3 LYS 14 HD1 LYS 14 47.769 6.824 6.885 101 HE2 LYS 14 HE2 LYS 14 47.920 5.931 9.184 102 HE3 LYS 14 HE1 LYS 14 49.023 7.313 8.972 103 HZ1 LYS 14 HZ1 LYS 14 47.815 8.596 10.355 104 HZ2 LYS 14 HZ2 LYS 14 47.291 7.106 10.983 105 HZ3 LYS 14 HZ3 LYS 14 46.325 7.949 9.868 106 H HIS 15 HN HIS 15 48.661 9.797 4.694 107 HA HIS 15 HA HIS 15 50.691 11.417 6.058 108 HB2 HIS 15 HB2 HIS 15 51.011 9.038 5.213 109 HB3 HIS 15 HB1 HIS 15 51.011 9.703 3.563 110 HD1 HIS 15 HD1 HIS 15 52.509 11.817 6.267 111 HD2 HIS 15 HD2 HIS 15 53.845 8.978 3.468 112 HE1 HIS 15 HE1 HIS 15 55.051 12.030 6.119 113 H ALA 16 HN ALA 16 48.578 11.835 3.406 114 HA ALA 16 HA ALA 16 50.247 13.413 1.678 115 HB1 ALA 16 HB1 ALA 16 48.165 14.141 0.666 116 HB2 ALA 16 HB2 ALA 16 47.243 13.604 2.093 117 HB3 ALA 16 HB3 ALA 16 48.050 12.407 1.049 118 H GLY 17 HN GLY 17 48.180 14.202 4.470 119 HA2 GLY 17 HA1 GLY 17 49.695 16.657 4.924 120 HA3 GLY 17 HA2 GLY 17 48.047 16.959 4.337 121 H LYS 18 HN LYS 18 49.241 14.358 6.470 122 HA LYS 18 HA LYS 18 48.577 13.761 8.609 123 HB2 LYS 18 HB2 LYS 18 48.052 16.722 9.044 124 HB3 LYS 18 HB1 LYS 18 48.471 15.496 10.265 125 HG2 LYS 18 HG2 LYS 18 50.654 15.135 8.994 126 HG3 LYS 18 HG1 LYS 18 50.241 16.578 8.034 127 HD2 LYS 18 HD2 LYS 18 50.088 17.912 10.129 128 HD3 LYS 18 HD1 LYS 18 50.550 16.472 11.068 129 HE2 LYS 18 HE2 LYS 18 52.566 17.746 10.737 130 HE3 LYS 18 HE1 LYS 18 52.659 16.355 9.630 131 HZ1 LYS 18 HZ1 LYS 18 53.248 18.278 8.404 132 HZ2 LYS 18 HZ2 LYS 18 51.907 19.156 8.970 133 HZ3 LYS 18 HZ3 LYS 18 51.685 17.856 7.899 134 H ALA 19 HN ALA 19 46.660 13.094 6.985 135 HA ALA 19 HA ALA 19 44.370 12.804 6.736 136 HB1 ALA 19 HB1 ALA 19 43.093 12.670 8.820 137 HB2 ALA 19 HB2 ALA 19 44.380 13.546 9.682 138 HB3 ALA 19 HB3 ALA 19 44.694 11.923 9.023 139 H ALA 20 HN ALA 20 44.857 15.043 5.548 140 HA ALA 20 HA ALA 20 42.479 16.622 5.968 141 HB1 ALA 20 HB1 ALA 20 45.117 17.863 6.822 142 HB2 ALA 20 HB2 ALA 20 43.711 17.531 7.863 143 HB3 ALA 20 HB3 ALA 20 43.599 18.757 6.577 144 H LEU 21 HN LEU 21 45.663 16.144 4.568 145 HA LEU 21 HA LEU 21 46.389 16.456 2.394 146 HB2 LEU 21 HB2 LEU 21 43.843 15.827 1.968 147 HB3 LEU 21 HB1 LEU 21 43.695 17.537 1.517 148 HG LEU 21 HG LEU 21 45.600 15.486 0.301 149 HD11 LEU 21 HD11 LEU 21 43.231 17.036 -0.837 150 HD12 LEU 21 HD12 LEU 21 43.242 15.303 -0.428 151 HD13 LEU 21 HD13 LEU 21 44.269 15.912 -1.748 152 HD21 LEU 21 HD21 LEU 21 45.332 18.499 -0.058 153 HD22 LEU 21 HD22 LEU 21 46.038 17.463 -1.322 154 HD23 LEU 21 HD23 LEU 21 46.800 17.553 0.282 155 H THR 22 HN THR 22 43.904 19.043 2.662 156 HA THR 22 HA THR 22 45.532 21.065 1.525 157 HB THR 22 HB THR 22 43.974 22.677 2.674 158 HG1 THR 22 HG1 THR 22 43.460 21.712 4.546 159 HG21 THR 22 HG21 THR 22 43.364 21.683 0.513 160 HG22 THR 22 HG22 THR 22 41.918 21.831 1.542 161 HG23 THR 22 HG23 THR 22 42.708 20.249 1.336 162 H HIS 23 HN HIS 23 45.606 19.619 4.678 163 HA HIS 23 HA HIS 23 46.845 20.118 6.578 164 HB2 HIS 23 HB2 HIS 23 48.675 19.729 4.928 165 HB3 HIS 23 HB1 HIS 23 48.686 21.472 4.567 166 HD1 HIS 23 HD1 HIS 23 50.218 22.863 5.959 167 HD2 HIS 23 HD2 HIS 23 49.139 19.288 7.894 168 HE1 HIS 23 HE1 HIS 23 51.529 22.757 8.150 169 H TYR 24 HN TYR 24 44.946 21.610 7.023 170 HA TYR 24 HA TYR 24 45.013 24.388 6.579 171 HB2 TYR 24 HB2 TYR 24 43.661 24.544 8.697 172 HB3 TYR 24 HB1 TYR 24 43.066 23.323 7.546 173 HD1 TYR 24 HD1 TYR 24 44.839 23.867 10.761 174 HD2 TYR 24 HD2 TYR 24 43.269 20.934 8.013 175 HE1 TYR 24 HE1 TYR 24 45.092 22.103 12.500 176 HE2 TYR 24 HE2 TYR 24 43.522 19.168 9.753 177 HH TYR 24 HH TYR 24 44.125 19.764 12.986 178 H LEU 25 HN LEU 25 45.248 26.037 8.455 179 HA LEU 25 HA LEU 25 47.395 25.500 10.361 180 HB2 LEU 25 HB2 LEU 25 48.813 27.451 9.248 181 HB3 LEU 25 HB1 LEU 25 48.980 25.780 8.662 182 HG LEU 25 HG LEU 25 47.431 26.214 6.821 183 HD11 LEU 25 HD11 LEU 25 46.698 28.673 6.486 184 HD12 LEU 25 HD12 LEU 25 47.110 28.909 8.202 185 HD13 LEU 25 HD13 LEU 25 45.843 27.747 7.738 186 HD21 LEU 25 HD21 LEU 25 49.881 26.853 6.649 187 HD22 LEU 25 HD22 LEU 25 49.406 28.527 7.023 188 HD23 LEU 25 HD23 LEU 25 48.809 27.742 5.541 Start of MODEL 24 1 H1 GLY 1 HT1 GLY 1 58.070 2.255 -13.560 2 H2 GLY 1 HT2 GLY 1 58.309 1.817 -15.184 3 H3 GLY 1 HT3 GLY 1 58.960 0.863 -13.937 4 HA2 GLY 1 HA1 GLY 1 56.080 1.343 -14.161 5 HA3 GLY 1 HA2 GLY 1 56.882 0.064 -15.093 6 H TRP 2 HN TRP 2 56.469 -1.831 -14.187 7 HA TRP 2 HA TRP 2 55.850 -2.133 -11.386 8 HB2 TRP 2 HB2 TRP 2 55.963 -4.555 -11.862 9 HB3 TRP 2 HB1 TRP 2 55.034 -3.695 -13.112 10 HD1 TRP 2 HD1 TRP 2 58.194 -5.694 -12.558 11 HE1 TRP 2 HE1 TRP 2 59.401 -6.117 -14.823 12 HE3 TRP 2 HE3 TRP 2 55.428 -2.584 -15.539 13 HZ2 TRP 2 HZ2 TRP 2 59.171 -5.209 -17.546 14 HZ3 TRP 2 HZ3 TRP 2 55.940 -2.379 -17.968 15 HH2 TRP 2 HH2 TRP 2 57.806 -3.687 -18.972 16 H GLY 3 HN GLY 3 58.812 -2.330 -13.293 17 HA2 GLY 3 HA1 GLY 3 60.482 -3.781 -11.588 18 HA3 GLY 3 HA2 GLY 3 61.017 -2.416 -12.588 19 H SER 4 HN SER 4 60.152 -0.200 -11.586 20 HA SER 4 HA SER 4 61.545 0.005 -9.033 21 HB2 SER 4 HB2 SER 4 59.828 2.092 -10.427 22 HB3 SER 4 HB1 SER 4 61.086 2.373 -9.203 23 HG SER 4 HG SER 4 61.467 1.201 -11.776 24 H PHE 5 HN PHE 5 60.087 -1.634 -7.974 25 HA PHE 5 HA PHE 5 57.361 -1.165 -7.420 26 HB2 PHE 5 HB2 PHE 5 59.406 -2.316 -5.482 27 HB3 PHE 5 HB1 PHE 5 57.652 -2.620 -5.502 28 HD1 PHE 5 HD1 PHE 5 56.614 -3.900 -7.378 29 HD2 PHE 5 HD2 PHE 5 60.891 -3.433 -7.039 30 HE1 PHE 5 HE1 PHE 5 56.945 -5.764 -8.998 31 HE2 PHE 5 HE2 PHE 5 61.223 -5.299 -8.658 32 HZ PHE 5 HZ PHE 5 59.249 -6.418 -9.688 33 H PHE 6 HN PHE 6 56.734 0.899 -6.970 34 HA PHE 6 HA PHE 6 58.175 2.564 -5.064 35 HB2 PHE 6 HB2 PHE 6 55.417 2.799 -6.328 36 HB3 PHE 6 HB1 PHE 6 56.151 4.042 -5.287 37 HD1 PHE 6 HD1 PHE 6 58.301 5.149 -5.979 38 HD2 PHE 6 HD2 PHE 6 56.124 2.518 -8.618 39 HE1 PHE 6 HE1 PHE 6 59.576 6.045 -7.923 40 HE2 PHE 6 HE2 PHE 6 57.399 3.414 -10.562 41 HZ PHE 6 HZ PHE 6 59.155 5.146 -10.209 42 H LYS 7 HN LYS 7 54.915 1.034 -5.004 43 HA LYS 7 HA LYS 7 53.574 0.468 -3.193 44 HB2 LYS 7 HB2 LYS 7 56.305 -0.156 -1.998 45 HB3 LYS 7 HB1 LYS 7 54.748 -0.685 -1.316 46 HG2 LYS 7 HG2 LYS 7 54.253 -2.036 -3.237 47 HG3 LYS 7 HG1 LYS 7 55.568 -1.302 -4.182 48 HD2 LYS 7 HD2 LYS 7 56.155 -3.580 -3.325 49 HD3 LYS 7 HD1 LYS 7 57.248 -2.314 -2.716 50 HE2 LYS 7 HE2 LYS 7 56.326 -4.056 -1.009 51 HE3 LYS 7 HE1 LYS 7 56.266 -2.336 -0.557 52 HZ1 LYS 7 HZ1 LYS 7 53.970 -3.384 -2.021 53 HZ2 LYS 7 HZ2 LYS 7 54.030 -2.278 -0.731 54 HZ3 LYS 7 HZ3 LYS 7 54.162 -3.946 -0.432 55 H LYS 8 HN LYS 8 53.405 3.003 -3.248 56 HA LYS 8 HA LYS 8 53.409 3.828 -0.438 57 HB2 LYS 8 HB2 LYS 8 55.772 4.310 -1.146 58 HB3 LYS 8 HB1 LYS 8 55.128 5.406 -2.392 59 HG2 LYS 8 HG2 LYS 8 54.043 6.781 -0.677 60 HG3 LYS 8 HG1 LYS 8 54.568 5.653 0.595 61 HD2 LYS 8 HD2 LYS 8 56.907 6.160 0.172 62 HD3 LYS 8 HD1 LYS 8 56.482 7.139 -1.252 63 HE2 LYS 8 HE2 LYS 8 55.546 7.753 1.583 64 HE3 LYS 8 HE1 LYS 8 56.961 8.509 0.813 65 HZ1 LYS 8 HZ1 LYS 8 55.105 9.933 0.486 66 HZ2 LYS 8 HZ2 LYS 8 54.125 8.661 -0.072 67 HZ3 LYS 8 HZ3 LYS 8 55.434 9.205 -1.010 68 H ALA 9 HN ALA 9 51.230 4.166 -0.640 69 HA ALA 9 HA ALA 9 50.433 6.707 -1.774 70 HB1 ALA 9 HB1 ALA 9 50.589 5.267 -3.841 71 HB2 ALA 9 HB2 ALA 9 48.979 5.963 -3.536 72 HB3 ALA 9 HB3 ALA 9 49.298 4.254 -3.154 73 H ALA 10 HN ALA 10 48.855 7.443 -0.510 74 HA ALA 10 HA ALA 10 46.640 5.743 0.315 75 HB1 ALA 10 HB1 ALA 10 48.620 6.614 2.448 76 HB2 ALA 10 HB2 ALA 10 48.389 4.945 1.873 77 HB3 ALA 10 HB3 ALA 10 47.070 5.786 2.722 78 H HIS 11 HN HIS 11 45.323 6.950 2.094 79 HA HIS 11 HA HIS 11 45.654 9.811 2.298 80 HB2 HIS 11 HB2 HIS 11 43.597 10.394 0.925 81 HB3 HIS 11 HB1 HIS 11 45.028 9.919 -0.019 82 HD1 HIS 11 HD1 HIS 11 45.078 7.072 -0.366 83 HD2 HIS 11 HD2 HIS 11 41.396 9.082 -0.079 84 HE1 HIS 11 HE1 HIS 11 43.291 5.531 -1.346 85 H ALA 12 HN ALA 12 45.255 7.824 4.159 86 HA ALA 12 HA ALA 12 42.486 7.403 4.820 87 HB1 ALA 12 HB1 ALA 12 44.827 7.476 6.746 88 HB2 ALA 12 HB2 ALA 12 44.482 6.098 5.672 89 HB3 ALA 12 HB3 ALA 12 43.301 6.577 6.915 90 H GLY 13 HN GLY 13 41.700 9.613 4.394 91 HA2 GLY 13 HA1 GLY 13 41.093 10.975 6.790 92 HA3 GLY 13 HA2 GLY 13 42.480 11.811 6.065 93 H LYS 14 HN LYS 14 42.277 12.727 3.949 94 HA LYS 14 HA LYS 14 39.733 12.757 2.576 95 HB2 LYS 14 HB2 LYS 14 39.221 14.158 4.636 96 HB3 LYS 14 HB1 LYS 14 40.421 15.330 4.042 97 HG2 LYS 14 HG2 LYS 14 39.162 15.621 1.958 98 HG3 LYS 14 HG1 LYS 14 37.998 14.370 2.456 99 HD2 LYS 14 HD2 LYS 14 37.503 15.795 4.508 100 HD3 LYS 14 HD1 LYS 14 38.474 17.084 3.754 101 HE2 LYS 14 HE2 LYS 14 36.989 17.069 1.782 102 HE3 LYS 14 HE1 LYS 14 36.034 15.748 2.497 103 HZ1 LYS 14 HZ1 LYS 14 35.823 18.525 2.952 104 HZ2 LYS 14 HZ2 LYS 14 36.240 17.764 4.412 105 HZ3 LYS 14 HZ3 LYS 14 34.854 17.273 3.561 106 H HIS 15 HN HIS 15 42.215 15.260 3.290 107 HA HIS 15 HA HIS 15 42.511 15.940 0.498 108 HB2 HIS 15 HB2 HIS 15 43.021 17.481 2.400 109 HB3 HIS 15 HB1 HIS 15 44.428 16.468 2.804 110 HD1 HIS 15 HD1 HIS 15 46.154 16.081 0.652 111 HD2 HIS 15 HD2 HIS 15 43.583 19.403 0.490 112 HE1 HIS 15 HE1 HIS 15 47.134 17.720 -1.044 113 H ALA 16 HN ALA 16 44.829 14.399 2.779 114 HA ALA 16 HA ALA 16 45.586 12.392 0.809 115 HB1 ALA 16 HB1 ALA 16 46.741 14.429 -0.083 116 HB2 ALA 16 HB2 ALA 16 47.857 13.127 0.400 117 HB3 ALA 16 HB3 ALA 16 47.631 14.545 1.454 118 H GLY 17 HN GLY 17 45.415 13.739 3.881 119 HA2 GLY 17 HA1 GLY 17 46.196 11.348 5.198 120 HA3 GLY 17 HA2 GLY 17 47.578 12.460 5.231 121 H LYS 18 HN LYS 18 44.032 12.942 5.484 122 HA LYS 18 HA LYS 18 42.787 14.054 7.089 123 HB2 LYS 18 HB2 LYS 18 43.766 12.164 8.488 124 HB3 LYS 18 HB1 LYS 18 44.999 13.321 9.041 125 HG2 LYS 18 HG2 LYS 18 43.152 14.851 9.800 126 HG3 LYS 18 HG1 LYS 18 41.979 13.582 9.370 127 HD2 LYS 18 HD2 LYS 18 43.250 12.014 10.911 128 HD3 LYS 18 HD1 LYS 18 44.194 13.421 11.457 129 HE2 LYS 18 HE2 LYS 18 41.209 12.931 11.753 130 HE3 LYS 18 HE1 LYS 18 42.411 13.220 13.033 131 HZ1 LYS 18 HZ1 LYS 18 41.364 15.152 11.036 132 HZ2 LYS 18 HZ2 LYS 18 42.764 15.453 11.952 133 HZ3 LYS 18 HZ3 LYS 18 41.267 15.238 12.726 134 H ALA 19 HN ALA 19 42.674 16.179 6.760 135 HA ALA 19 HA ALA 19 43.258 18.423 6.792 136 HB1 ALA 19 HB1 ALA 19 44.919 17.597 9.197 137 HB2 ALA 19 HB2 ALA 19 43.176 17.957 9.236 138 HB3 ALA 19 HB3 ALA 19 44.341 19.235 8.815 139 H ALA 20 HN ALA 20 44.817 16.688 5.112 140 HA ALA 20 HA ALA 20 46.802 16.694 3.908 141 HB1 ALA 20 HB1 ALA 20 46.125 18.901 3.268 142 HB2 ALA 20 HB2 ALA 20 47.863 18.976 3.644 143 HB3 ALA 20 HB3 ALA 20 46.671 19.584 4.818 144 H LEU 21 HN LEU 21 47.339 15.335 6.018 145 HA LEU 21 HA LEU 21 48.978 14.723 7.536 146 HB2 LEU 21 HB2 LEU 21 50.308 15.150 5.345 147 HB3 LEU 21 HB1 LEU 21 50.825 16.667 6.113 148 HG LEU 21 HG LEU 21 51.453 15.073 8.167 149 HD11 LEU 21 HD11 LEU 21 51.498 13.166 5.779 150 HD12 LEU 21 HD12 LEU 21 50.517 12.994 7.253 151 HD13 LEU 21 HD13 LEU 21 52.286 12.855 7.342 152 HD21 LEU 21 HD21 LEU 21 53.726 14.778 7.202 153 HD22 LEU 21 HD22 LEU 21 53.081 16.404 6.870 154 HD23 LEU 21 HD23 LEU 21 53.085 15.168 5.589 155 H THR 22 HN THR 22 47.242 16.763 8.384 156 HA THR 22 HA THR 22 47.055 18.424 9.993 157 HB THR 22 HB THR 22 48.478 18.235 11.937 158 HG1 THR 22 HG1 THR 22 50.487 18.244 10.982 159 HG21 THR 22 HG21 THR 22 46.934 16.310 11.386 160 HG22 THR 22 HG22 THR 22 48.324 15.860 12.402 161 HG23 THR 22 HG23 THR 22 48.327 15.472 10.664 162 H HIS 23 HN HIS 23 47.712 19.630 7.788 163 HA HIS 23 HA HIS 23 49.444 21.826 8.685 164 HB2 HIS 23 HB2 HIS 23 50.269 20.022 6.376 165 HB3 HIS 23 HB1 HIS 23 50.898 21.671 6.602 166 HD1 HIS 23 HD1 HIS 23 51.703 18.261 7.387 167 HD2 HIS 23 HD2 HIS 23 52.057 21.926 9.416 168 HE1 HIS 23 HE1 HIS 23 53.374 17.920 9.290 169 H TYR 24 HN TYR 24 48.733 23.697 7.871 170 HA TYR 24 HA TYR 24 46.401 23.662 6.131 171 HB2 TYR 24 HB2 TYR 24 48.111 26.054 6.904 172 HB3 TYR 24 HB1 TYR 24 46.404 26.052 6.400 173 HD1 TYR 24 HD1 TYR 24 44.633 25.331 7.921 174 HD2 TYR 24 HD2 TYR 24 48.775 25.205 9.126 175 HE1 TYR 24 HE1 TYR 24 43.934 24.995 10.288 176 HE2 TYR 24 HE2 TYR 24 48.076 24.867 11.493 177 HH TYR 24 HH TYR 24 46.366 24.798 12.911 178 H LEU 25 HN LEU 25 46.666 23.049 4.065 179 HA LEU 25 HA LEU 25 47.525 22.995 1.904 180 HB2 LEU 25 HB2 LEU 25 47.851 25.905 2.707 181 HB3 LEU 25 HB1 LEU 25 48.307 25.342 1.083 182 HG LEU 25 HG LEU 25 46.042 24.528 0.671 183 HD11 LEU 25 HD11 LEU 25 45.308 23.721 2.791 184 HD12 LEU 25 HD12 LEU 25 44.259 25.118 2.460 185 HD13 LEU 25 HD13 LEU 25 45.624 25.279 3.592 186 HD21 LEU 25 HD21 LEU 25 46.032 27.324 1.900 187 HD22 LEU 25 HD22 LEU 25 44.824 26.691 0.755 188 HD23 LEU 25 HD23 LEU 25 46.511 26.921 0.234 Start of MODEL 25 1 H1 GLY 1 HT1 GLY 1 58.571 4.713 -9.211 2 H2 GLY 1 HT2 GLY 1 57.427 3.631 -8.572 3 H3 GLY 1 HT3 GLY 1 57.545 5.211 -7.959 4 HA2 GLY 1 HA1 GLY 1 57.168 5.524 -10.636 5 HA3 GLY 1 HA2 GLY 1 56.069 4.219 -10.145 6 H TRP 2 HN TRP 2 54.854 6.386 -11.046 7 HA TRP 2 HA TRP 2 54.386 8.413 -9.030 8 HB2 TRP 2 HB2 TRP 2 52.458 7.675 -11.255 9 HB3 TRP 2 HB1 TRP 2 52.748 9.268 -10.517 10 HD1 TRP 2 HD1 TRP 2 55.940 9.205 -10.627 11 HE1 TRP 2 HE1 TRP 2 57.163 9.504 -12.899 12 HE3 TRP 2 HE3 TRP 2 52.128 7.876 -13.778 13 HZ2 TRP 2 HZ2 TRP 2 56.543 9.200 -15.694 14 HZ3 TRP 2 HZ3 TRP 2 52.467 7.889 -16.244 15 HH2 TRP 2 HH2 TRP 2 54.670 8.549 -17.205 16 H GLY 3 HN GLY 3 52.240 8.841 -8.048 17 HA2 GLY 3 HA1 GLY 3 50.370 8.175 -6.840 18 HA3 GLY 3 HA2 GLY 3 50.406 6.616 -7.685 19 H SER 4 HN SER 4 53.358 6.418 -6.813 20 HA SER 4 HA SER 4 54.462 5.290 -5.115 21 HB2 SER 4 HB2 SER 4 54.089 7.523 -4.015 22 HB3 SER 4 HB1 SER 4 52.618 6.857 -3.272 23 HG SER 4 HG SER 4 53.963 5.235 -2.335 24 H PHE 5 HN PHE 5 53.159 3.419 -6.063 25 HA PHE 5 HA PHE 5 50.906 2.437 -4.505 26 HB2 PHE 5 HB2 PHE 5 51.315 1.856 -6.902 27 HB3 PHE 5 HB1 PHE 5 52.747 0.926 -6.401 28 HD1 PHE 5 HD1 PHE 5 52.526 -1.283 -5.487 29 HD2 PHE 5 HD2 PHE 5 49.033 1.206 -5.989 30 HE1 PHE 5 HE1 PHE 5 51.063 -3.229 -4.960 31 HE2 PHE 5 HE2 PHE 5 47.572 -0.741 -5.461 32 HZ PHE 5 HZ PHE 5 48.586 -2.960 -4.952 33 H PHE 6 HN PHE 6 54.121 0.925 -5.036 34 HA PHE 6 HA PHE 6 55.413 -0.371 -3.614 35 HB2 PHE 6 HB2 PHE 6 55.488 1.873 -2.430 36 HB3 PHE 6 HB1 PHE 6 54.185 1.279 -1.373 37 HD1 PHE 6 HD1 PHE 6 57.649 0.482 -2.592 38 HD2 PHE 6 HD2 PHE 6 54.691 -0.117 0.495 39 HE1 PHE 6 HE1 PHE 6 59.340 -0.707 -1.201 40 HE2 PHE 6 HE2 PHE 6 56.383 -1.305 1.885 41 HZ PHE 6 HZ PHE 6 58.719 -1.560 1.056 42 H LYS 7 HN LYS 7 55.346 -1.792 -1.557 43 HA LYS 7 HA LYS 7 53.136 -3.611 -1.870 44 HB2 LYS 7 HB2 LYS 7 55.369 -4.345 -1.143 45 HB3 LYS 7 HB1 LYS 7 55.208 -3.389 0.349 46 HG2 LYS 7 HG2 LYS 7 53.399 -4.757 1.144 47 HG3 LYS 7 HG1 LYS 7 53.218 -5.556 -0.436 48 HD2 LYS 7 HD2 LYS 7 54.408 -7.028 1.153 49 HD3 LYS 7 HD1 LYS 7 55.474 -6.558 -0.190 50 HE2 LYS 7 HE2 LYS 7 56.699 -5.035 1.156 51 HE3 LYS 7 HE1 LYS 7 55.427 -4.969 2.402 52 HZ1 LYS 7 HZ1 LYS 7 57.087 -7.354 1.751 53 HZ2 LYS 7 HZ2 LYS 7 55.895 -7.266 2.958 54 HZ3 LYS 7 HZ3 LYS 7 57.310 -6.335 3.088 55 H LYS 8 HN LYS 8 51.190 -3.675 -0.951 56 HA LYS 8 HA LYS 8 49.409 -3.085 0.407 57 HB2 LYS 8 HB2 LYS 8 51.002 -4.103 2.119 58 HB3 LYS 8 HB1 LYS 8 51.492 -2.442 2.529 59 HG2 LYS 8 HG2 LYS 8 49.208 -1.864 3.158 60 HG3 LYS 8 HG1 LYS 8 48.612 -3.445 2.599 61 HD2 LYS 8 HD2 LYS 8 49.948 -4.591 4.309 62 HD3 LYS 8 HD1 LYS 8 50.646 -3.039 4.834 63 HE2 LYS 8 HE2 LYS 8 48.499 -2.240 5.599 64 HE3 LYS 8 HE1 LYS 8 47.658 -3.620 4.854 65 HZ1 LYS 8 HZ1 LYS 8 48.256 -3.634 7.381 66 HZ2 LYS 8 HZ2 LYS 8 49.781 -4.136 6.825 67 HZ3 LYS 8 HZ3 LYS 8 48.397 -5.051 6.460 68 H ALA 9 HN ALA 9 48.246 -1.306 1.357 69 HA ALA 9 HA ALA 9 47.631 0.926 1.400 70 HB1 ALA 9 HB1 ALA 9 49.202 2.504 2.252 71 HB2 ALA 9 HB2 ALA 9 50.586 1.557 1.657 72 HB3 ALA 9 HB3 ALA 9 49.602 0.944 3.007 73 H ALA 10 HN ALA 10 47.968 3.116 0.315 74 HA ALA 10 HA ALA 10 49.485 3.123 -2.180 75 HB1 ALA 10 HB1 ALA 10 47.659 1.710 -2.927 76 HB2 ALA 10 HB2 ALA 10 47.480 3.325 -3.653 77 HB3 ALA 10 HB3 ALA 10 46.461 2.851 -2.272 78 H HIS 11 HN HIS 11 46.445 4.502 -0.823 79 HA HIS 11 HA HIS 11 47.201 7.187 -1.723 80 HB2 HIS 11 HB2 HIS 11 45.125 7.873 -0.539 81 HB3 HIS 11 HB1 HIS 11 44.846 6.520 -1.662 82 HD1 HIS 11 HD1 HIS 11 44.962 4.030 -0.481 83 HD2 HIS 11 HD2 HIS 11 44.371 7.320 2.071 84 HE1 HIS 11 HE1 HIS 11 44.013 3.130 1.715 85 H ALA 12 HN ALA 12 46.560 5.758 1.523 86 HA ALA 12 HA ALA 12 47.369 6.375 3.606 87 HB1 ALA 12 HB1 ALA 12 49.756 6.856 3.754 88 HB2 ALA 12 HB2 ALA 12 49.815 7.215 2.011 89 HB3 ALA 12 HB3 ALA 12 49.471 5.560 2.569 90 H GLY 13 HN GLY 13 48.244 8.216 4.962 91 HA2 GLY 13 HA1 GLY 13 46.775 10.617 4.236 92 HA3 GLY 13 HA2 GLY 13 47.768 10.372 5.687 93 H LYS 14 HN LYS 14 47.667 11.494 2.373 94 HA LYS 14 HA LYS 14 49.873 13.300 2.828 95 HB2 LYS 14 HB2 LYS 14 51.208 11.238 2.597 96 HB3 LYS 14 HB1 LYS 14 50.435 10.907 1.028 97 HG2 LYS 14 HG2 LYS 14 51.392 12.892 0.042 98 HG3 LYS 14 HG1 LYS 14 51.958 13.475 1.628 99 HD2 LYS 14 HD2 LYS 14 53.506 11.579 1.811 100 HD3 LYS 14 HD1 LYS 14 52.897 10.906 0.278 101 HE2 LYS 14 HE2 LYS 14 53.629 13.007 -0.883 102 HE3 LYS 14 HE1 LYS 14 54.340 13.566 0.649 103 HZ1 LYS 14 HZ1 LYS 14 56.106 12.546 -0.408 104 HZ2 LYS 14 HZ2 LYS 14 55.154 11.301 -1.064 105 HZ3 LYS 14 HZ3 LYS 14 55.536 11.300 0.591 106 H HIS 15 HN HIS 15 49.149 11.463 -0.147 107 HA HIS 15 HA HIS 15 48.638 13.940 -1.598 108 HB2 HIS 15 HB2 HIS 15 49.670 11.887 -2.611 109 HB3 HIS 15 HB1 HIS 15 48.097 11.070 -2.453 110 HD1 HIS 15 HD1 HIS 15 47.972 14.716 -3.226 111 HD2 HIS 15 HD2 HIS 15 47.903 11.087 -5.353 112 HE1 HIS 15 HE1 HIS 15 47.228 15.245 -5.613 113 H ALA 16 HN ALA 16 46.737 11.644 0.195 114 HA ALA 16 HA ALA 16 44.218 11.889 -1.048 115 HB1 ALA 16 HB1 ALA 16 43.273 11.312 1.121 116 HB2 ALA 16 HB2 ALA 16 44.786 11.778 1.934 117 HB3 ALA 16 HB3 ALA 16 44.757 10.370 0.845 118 H GLY 17 HN GLY 17 45.411 13.804 1.758 119 HA2 GLY 17 HA1 GLY 17 43.278 15.791 1.339 120 HA3 GLY 17 HA2 GLY 17 44.518 15.796 2.609 121 H LYS 18 HN LYS 18 45.520 15.328 -0.688 122 HA LYS 18 HA LYS 18 46.841 16.651 -2.059 123 HB2 LYS 18 HB2 LYS 18 45.277 18.982 -0.886 124 HB3 LYS 18 HB1 LYS 18 46.104 18.915 -2.461 125 HG2 LYS 18 HG2 LYS 18 44.578 16.995 -3.092 126 HG3 LYS 18 HG1 LYS 18 43.674 17.298 -1.589 127 HD2 LYS 18 HD2 LYS 18 43.190 19.599 -2.310 128 HD3 LYS 18 HD1 LYS 18 44.153 19.358 -3.787 129 HE2 LYS 18 HE2 LYS 18 41.709 17.696 -3.041 130 HE3 LYS 18 HE1 LYS 18 41.677 19.084 -4.155 131 HZ1 LYS 18 HZ1 LYS 18 42.728 16.404 -4.552 132 HZ2 LYS 18 HZ2 LYS 18 43.705 17.657 -5.153 133 HZ3 LYS 18 HZ3 LYS 18 42.097 17.503 -5.679 134 H ALA 19 HN ALA 19 47.216 16.492 1.119 135 HA ALA 19 HA ALA 19 49.801 17.851 1.047 136 HB1 ALA 19 HB1 ALA 19 47.581 18.965 2.796 137 HB2 ALA 19 HB2 ALA 19 48.419 19.803 1.469 138 HB3 ALA 19 HB3 ALA 19 49.304 19.378 2.953 139 H ALA 20 HN ALA 20 47.598 17.398 3.817 140 HA ALA 20 HA ALA 20 48.671 14.800 4.524 141 HB1 ALA 20 HB1 ALA 20 49.646 17.153 6.178 142 HB2 ALA 20 HB2 ALA 20 50.646 16.245 5.018 143 HB3 ALA 20 HB3 ALA 20 49.990 15.430 6.458 144 H LEU 21 HN LEU 21 46.100 15.785 4.214 145 HA LEU 21 HA LEU 21 44.062 15.831 5.309 146 HB2 LEU 21 HB2 LEU 21 45.489 14.714 7.746 147 HB3 LEU 21 HB1 LEU 21 43.792 14.495 7.267 148 HG LEU 21 HG LEU 21 46.223 13.441 5.750 149 HD11 LEU 21 HD11 LEU 21 45.709 12.291 7.921 150 HD12 LEU 21 HD12 LEU 21 45.467 11.241 6.505 151 HD13 LEU 21 HD13 LEU 21 44.064 11.969 7.323 152 HD21 LEU 21 HD21 LEU 21 44.526 13.857 4.123 153 HD22 LEU 21 HD22 LEU 21 43.223 13.355 5.226 154 HD23 LEU 21 HD23 LEU 21 44.327 12.141 4.537 155 H THR 22 HN THR 22 46.116 16.330 8.207 156 HA THR 22 HA THR 22 44.538 18.743 8.860 157 HB THR 22 HB THR 22 45.674 18.707 10.975 158 HG1 THR 22 HG1 THR 22 47.621 17.926 11.183 159 HG21 THR 22 HG21 THR 22 44.002 16.881 10.556 160 HG22 THR 22 HG22 THR 22 45.243 16.433 11.751 161 HG23 THR 22 HG23 THR 22 45.345 15.812 10.086 162 H HIS 23 HN HIS 23 46.495 18.573 6.507 163 HA HIS 23 HA HIS 23 48.133 19.918 5.551 164 HB2 HIS 23 HB2 HIS 23 46.875 21.927 7.461 165 HB3 HIS 23 HB1 HIS 23 47.976 22.347 6.126 166 HD1 HIS 23 HD1 HIS 23 45.346 23.615 5.767 167 HD2 HIS 23 HD2 HIS 23 45.947 19.604 4.658 168 HE1 HIS 23 HE1 HIS 23 43.558 23.027 4.040 169 H TYR 24 HN TYR 24 49.137 18.268 7.544 170 HA TYR 24 HA TYR 24 50.662 19.692 9.527 171 HB2 TYR 24 HB2 TYR 24 50.115 17.233 9.562 172 HB3 TYR 24 HB1 TYR 24 51.310 17.003 8.263 173 HD1 TYR 24 HD1 TYR 24 53.715 17.365 8.674 174 HD2 TYR 24 HD2 TYR 24 50.811 17.810 11.834 175 HE1 TYR 24 HE1 TYR 24 55.547 17.315 10.363 176 HE2 TYR 24 HE2 TYR 24 52.640 17.761 13.524 177 HH TYR 24 HH TYR 24 55.914 16.883 12.637 178 H LEU 25 HN LEU 25 52.065 21.248 8.997 179 HA LEU 25 HA LEU 25 53.573 21.184 6.500 180 HB2 LEU 25 HB2 LEU 25 54.152 22.912 8.932 181 HB3 LEU 25 HB1 LEU 25 54.512 23.258 7.225 182 HG LEU 25 HG LEU 25 51.723 23.018 8.446 183 HD11 LEU 25 HD11 LEU 25 51.615 25.457 7.969 184 HD12 LEU 25 HD12 LEU 25 53.310 25.417 7.422 185 HD13 LEU 25 HD13 LEU 25 52.913 25.071 9.123 186 HD21 LEU 25 HD21 LEU 25 51.124 24.036 6.128 187 HD22 LEU 25 HD22 LEU 25 51.538 22.309 6.173 188 HD23 LEU 25 HD23 LEU 25 52.740 23.498 5.613 Start of MODEL 26 1 H1 GLY 1 HT1 GLY 1 60.360 -0.273 -14.322 2 H2 GLY 1 HT2 GLY 1 61.802 -0.118 -15.206 3 H3 GLY 1 HT3 GLY 1 61.051 1.258 -14.548 4 HA2 GLY 1 HA1 GLY 1 63.084 0.068 -13.429 5 HA3 GLY 1 HA2 GLY 1 61.825 0.926 -12.519 6 H TRP 2 HN TRP 2 61.317 -2.121 -14.239 7 HA TRP 2 HA TRP 2 60.640 -4.186 -13.439 8 HB2 TRP 2 HB2 TRP 2 63.033 -4.129 -12.635 9 HB3 TRP 2 HB1 TRP 2 62.433 -3.550 -11.063 10 HD1 TRP 2 HD1 TRP 2 61.397 -6.433 -13.465 11 HE1 TRP 2 HE1 TRP 2 61.037 -8.596 -12.067 12 HE3 TRP 2 HE3 TRP 2 62.499 -4.583 -8.820 13 HZ2 TRP 2 HZ2 TRP 2 61.215 -9.384 -9.302 14 HZ3 TRP 2 HZ3 TRP 2 62.399 -6.058 -6.817 15 HH2 TRP 2 HH2 TRP 2 61.759 -8.454 -7.053 16 H GLY 3 HN GLY 3 60.906 -4.271 -10.189 17 HA2 GLY 3 HA1 GLY 3 58.043 -4.041 -9.807 18 HA3 GLY 3 HA2 GLY 3 59.260 -4.350 -8.553 19 H SER 4 HN SER 4 57.935 -1.760 -10.640 20 HA SER 4 HA SER 4 59.012 0.391 -9.057 21 HB2 SER 4 HB2 SER 4 57.370 1.790 -10.279 22 HB3 SER 4 HB1 SER 4 58.261 0.709 -11.373 23 HG SER 4 HG SER 4 55.607 0.843 -10.849 24 H PHE 5 HN PHE 5 58.122 1.652 -7.450 25 HA PHE 5 HA PHE 5 56.325 0.308 -5.641 26 HB2 PHE 5 HB2 PHE 5 57.057 3.260 -5.700 27 HB3 PHE 5 HB1 PHE 5 56.470 2.323 -4.305 28 HD1 PHE 5 HD1 PHE 5 57.891 0.508 -3.319 29 HD2 PHE 5 HD2 PHE 5 59.368 3.145 -6.401 30 HE1 PHE 5 HE1 PHE 5 60.227 -0.168 -2.779 31 HE2 PHE 5 HE2 PHE 5 61.704 2.468 -5.860 32 HZ PHE 5 HZ PHE 5 62.136 0.840 -4.024 33 H PHE 6 HN PHE 6 54.186 0.643 -5.151 34 HA PHE 6 HA PHE 6 52.415 1.266 -7.257 35 HB2 PHE 6 HB2 PHE 6 51.821 1.581 -4.291 36 HB3 PHE 6 HB1 PHE 6 50.662 1.229 -5.596 37 HD1 PHE 6 HD1 PHE 6 53.485 -0.126 -3.585 38 HD2 PHE 6 HD2 PHE 6 50.479 -0.997 -6.557 39 HE1 PHE 6 HE1 PHE 6 53.930 -2.563 -3.321 40 HE2 PHE 6 HE2 PHE 6 50.924 -3.434 -6.293 41 HZ PHE 6 HZ PHE 6 52.720 -4.208 -4.748 42 H LYS 7 HN LYS 7 54.011 3.355 -4.927 43 HA LYS 7 HA LYS 7 54.114 5.659 -4.790 44 HB2 LYS 7 HB2 LYS 7 54.302 5.327 -7.367 45 HB3 LYS 7 HB1 LYS 7 52.610 5.868 -7.423 46 HG2 LYS 7 HG2 LYS 7 53.207 7.977 -6.320 47 HG3 LYS 7 HG1 LYS 7 54.892 7.433 -6.132 48 HD2 LYS 7 HD2 LYS 7 55.203 7.368 -8.544 49 HD3 LYS 7 HD1 LYS 7 53.479 7.719 -8.818 50 HE2 LYS 7 HE2 LYS 7 53.794 9.903 -7.597 51 HE3 LYS 7 HE1 LYS 7 55.539 9.558 -7.524 52 HZ1 LYS 7 HZ1 LYS 7 53.866 9.925 -9.956 53 HZ2 LYS 7 HZ2 LYS 7 55.457 9.331 -9.996 54 HZ3 LYS 7 HZ3 LYS 7 55.147 10.900 -9.425 55 H LYS 8 HN LYS 8 51.316 3.890 -4.755 56 HA LYS 8 HA LYS 8 49.918 5.782 -3.124 57 HB2 LYS 8 HB2 LYS 8 47.943 6.123 -4.726 58 HB3 LYS 8 HB1 LYS 8 49.412 7.065 -5.072 59 HG2 LYS 8 HG2 LYS 8 50.096 5.476 -6.789 60 HG3 LYS 8 HG1 LYS 8 48.741 4.395 -6.380 61 HD2 LYS 8 HD2 LYS 8 47.119 6.070 -7.095 62 HD3 LYS 8 HD1 LYS 8 48.414 7.262 -7.363 63 HE2 LYS 8 HE2 LYS 8 49.408 5.753 -9.090 64 HE3 LYS 8 HE1 LYS 8 48.047 4.629 -8.859 65 HZ1 LYS 8 HZ1 LYS 8 46.708 5.919 -10.062 66 HZ2 LYS 8 HZ2 LYS 8 48.106 6.726 -10.593 67 HZ3 LYS 8 HZ3 LYS 8 47.208 7.344 -9.289 68 H ALA 9 HN ALA 9 48.360 4.763 -1.961 69 HA ALA 9 HA ALA 9 46.883 2.490 -2.959 70 HB1 ALA 9 HB1 ALA 9 49.199 1.923 -1.079 71 HB2 ALA 9 HB2 ALA 9 49.007 1.327 -2.746 72 HB3 ALA 9 HB3 ALA 9 47.897 0.774 -1.468 73 H ALA 10 HN ALA 10 47.999 4.593 -0.407 74 HA ALA 10 HA ALA 10 45.360 4.602 0.807 75 HB1 ALA 10 HB1 ALA 10 45.875 3.636 2.937 76 HB2 ALA 10 HB2 ALA 10 47.595 3.459 2.510 77 HB3 ALA 10 HB3 ALA 10 46.367 2.457 1.698 78 H HIS 11 HN HIS 11 45.105 6.680 1.250 79 HA HIS 11 HA HIS 11 46.977 8.068 2.993 80 HB2 HIS 11 HB2 HIS 11 47.585 9.860 1.377 81 HB3 HIS 11 HB1 HIS 11 48.263 8.279 0.921 82 HD1 HIS 11 HD1 HIS 11 45.979 6.895 -0.481 83 HD2 HIS 11 HD2 HIS 11 46.765 10.995 -1.001 84 HE1 HIS 11 HE1 HIS 11 44.952 7.591 -2.715 85 H ALA 12 HN ALA 12 44.002 7.483 1.703 86 HA ALA 12 HA ALA 12 42.737 10.011 1.539 87 HB1 ALA 12 HB1 ALA 12 41.660 7.889 0.909 88 HB2 ALA 12 HB2 ALA 12 40.663 8.796 2.073 89 HB3 ALA 12 HB3 ALA 12 41.620 7.398 2.619 90 H GLY 13 HN GLY 13 44.326 8.615 4.163 91 HA2 GLY 13 HA1 GLY 13 43.643 10.774 5.922 92 HA3 GLY 13 HA2 GLY 13 42.737 9.320 6.384 93 H LYS 14 HN LYS 14 46.040 10.459 5.595 94 HA LYS 14 HA LYS 14 47.108 9.230 8.003 95 HB2 LYS 14 HB2 LYS 14 46.819 7.204 6.579 96 HB3 LYS 14 HB1 LYS 14 47.861 7.951 5.344 97 HG2 LYS 14 HG2 LYS 14 49.740 8.025 6.900 98 HG3 LYS 14 HG1 LYS 14 48.709 7.441 8.230 99 HD2 LYS 14 HD2 LYS 14 48.299 5.335 6.944 100 HD3 LYS 14 HD1 LYS 14 49.417 5.914 5.686 101 HE2 LYS 14 HE2 LYS 14 50.168 5.550 8.618 102 HE3 LYS 14 HE1 LYS 14 50.508 4.362 7.337 103 HZ1 LYS 14 HZ1 LYS 14 51.982 5.793 6.296 104 HZ2 LYS 14 HZ2 LYS 14 52.301 6.081 7.940 105 HZ3 LYS 14 HZ3 LYS 14 51.360 7.179 7.049 106 H HIS 15 HN HIS 15 47.745 11.472 8.144 107 HA HIS 15 HA HIS 15 49.246 13.222 7.848 108 HB2 HIS 15 HB2 HIS 15 50.767 11.402 8.648 109 HB3 HIS 15 HB1 HIS 15 51.114 10.992 6.952 110 HD1 HIS 15 HD1 HIS 15 52.705 12.498 5.636 111 HD2 HIS 15 HD2 HIS 15 51.843 13.933 9.493 112 HE1 HIS 15 HE1 HIS 15 54.266 14.471 6.082 113 H ALA 16 HN ALA 16 47.566 12.342 5.520 114 HA ALA 16 HA ALA 16 48.748 14.121 3.573 115 HB1 ALA 16 HB1 ALA 16 50.223 12.234 3.130 116 HB2 ALA 16 HB2 ALA 16 49.092 12.446 1.771 117 HB3 ALA 16 HB3 ALA 16 48.825 11.147 2.959 118 H GLY 17 HN GLY 17 46.227 13.139 5.091 119 HA2 GLY 17 HA1 GLY 17 44.378 12.441 2.930 120 HA3 GLY 17 HA2 GLY 17 43.966 12.801 4.619 121 H LYS 18 HN LYS 18 45.891 14.922 2.545 122 HA LYS 18 HA LYS 18 45.519 17.147 1.979 123 HB2 LYS 18 HB2 LYS 18 42.796 15.949 1.337 124 HB3 LYS 18 HB1 LYS 18 43.326 17.573 0.833 125 HG2 LYS 18 HG2 LYS 18 45.103 16.683 -0.512 126 HG3 LYS 18 HG1 LYS 18 44.920 15.059 0.193 127 HD2 LYS 18 HD2 LYS 18 43.913 15.231 -2.093 128 HD3 LYS 18 HD1 LYS 18 42.716 14.809 -0.846 129 HE2 LYS 18 HE2 LYS 18 43.173 17.712 -1.615 130 HE3 LYS 18 HE1 LYS 18 42.104 16.671 -2.585 131 HZ1 LYS 18 HZ1 LYS 18 40.534 17.062 -1.092 132 HZ2 LYS 18 HZ2 LYS 18 41.608 17.892 -0.072 133 HZ3 LYS 18 HZ3 LYS 18 41.439 16.207 0.059 134 H ALA 19 HN ALA 19 44.695 16.082 4.763 135 HA ALA 19 HA ALA 19 43.728 18.654 5.735 136 HB1 ALA 19 HB1 ALA 19 41.656 17.736 6.782 137 HB2 ALA 19 HB2 ALA 19 41.887 16.240 5.846 138 HB3 ALA 19 HB3 ALA 19 41.584 17.779 5.004 139 H ALA 20 HN ALA 20 44.540 15.258 6.201 140 HA ALA 20 HA ALA 20 44.637 15.243 9.056 141 HB1 ALA 20 HB1 ALA 20 44.735 13.187 7.785 142 HB2 ALA 20 HB2 ALA 20 46.232 13.340 8.736 143 HB3 ALA 20 HB3 ALA 20 46.244 13.699 6.993 144 H LEU 21 HN LEU 21 47.179 15.907 6.615 145 HA LEU 21 HA LEU 21 49.137 16.591 8.680 146 HB2 LEU 21 HB2 LEU 21 50.368 17.536 6.541 147 HB3 LEU 21 HB1 LEU 21 50.171 15.783 6.740 148 HG LEU 21 HG LEU 21 48.263 15.757 5.231 149 HD11 LEU 21 HD11 LEU 21 48.557 18.787 5.332 150 HD12 LEU 21 HD12 LEU 21 47.122 17.812 5.731 151 HD13 LEU 21 HD13 LEU 21 47.655 17.959 4.042 152 HD21 LEU 21 HD21 LEU 21 50.481 17.512 4.091 153 HD22 LEU 21 HD22 LEU 21 49.365 16.484 3.159 154 HD23 LEU 21 HD23 LEU 21 50.558 15.741 4.252 155 H THR 22 HN THR 22 46.429 18.052 8.313 156 HA THR 22 HA THR 22 45.659 20.231 8.512 157 HB THR 22 HB THR 22 46.927 21.727 9.907 158 HG1 THR 22 HG1 THR 22 49.211 21.022 10.308 159 HG21 THR 22 HG21 THR 22 47.453 20.313 11.780 160 HG22 THR 22 HG22 THR 22 47.807 18.930 10.717 161 HG23 THR 22 HG23 THR 22 46.134 19.512 10.895 162 H HIS 23 HN HIS 23 45.360 20.694 6.331 163 HA HIS 23 HA HIS 23 47.562 21.702 4.695 164 HB2 HIS 23 HB2 HIS 23 45.784 22.161 3.041 165 HB3 HIS 23 HB1 HIS 23 45.645 20.512 3.699 166 HD1 HIS 23 HD1 HIS 23 44.558 22.336 6.462 167 HD2 HIS 23 HD2 HIS 23 42.809 21.549 2.721 168 HE1 HIS 23 HE1 HIS 23 42.045 22.729 6.699 169 H TYR 24 HN TYR 24 47.281 23.117 7.177 170 HA TYR 24 HA TYR 24 45.829 25.536 6.989 171 HB2 TYR 24 HB2 TYR 24 47.114 24.630 8.993 172 HB3 TYR 24 HB1 TYR 24 48.593 25.252 8.224 173 HD1 TYR 24 HD1 TYR 24 48.992 27.660 8.003 174 HD2 TYR 24 HD2 TYR 24 45.375 26.162 9.819 175 HE1 TYR 24 HE1 TYR 24 48.498 29.934 8.895 176 HE2 TYR 24 HE2 TYR 24 44.881 28.436 10.712 177 HH TYR 24 HH TYR 24 45.684 30.489 11.033 178 H LEU 25 HN LEU 25 48.276 24.417 4.962 179 HA LEU 25 HA LEU 25 49.691 26.866 4.418 180 HB2 LEU 25 HB2 LEU 25 49.175 24.638 2.419 181 HB3 LEU 25 HB1 LEU 25 50.574 25.735 2.515 182 HG LEU 25 HG LEU 25 49.824 23.569 4.530 183 HD11 LEU 25 HD11 LEU 25 52.244 23.862 2.695 184 HD12 LEU 25 HD12 LEU 25 50.846 22.811 2.363 185 HD13 LEU 25 HD13 LEU 25 51.884 22.492 3.773 186 HD21 LEU 25 HD21 LEU 25 50.793 25.334 5.816 187 HD22 LEU 25 HD22 LEU 25 51.960 25.742 4.535 188 HD23 LEU 25 HD23 LEU 25 52.152 24.240 5.471 Start of MODEL 27 1 H1 GLY 1 HT1 GLY 1 61.131 -2.608 -13.788 2 H2 GLY 1 HT2 GLY 1 61.266 -2.007 -15.373 3 H3 GLY 1 HT3 GLY 1 62.389 -1.544 -14.184 4 HA2 GLY 1 HA1 GLY 1 63.016 -3.303 -15.902 5 HA3 GLY 1 HA2 GLY 1 63.479 -3.498 -14.200 6 H TRP 2 HN TRP 2 61.135 -4.268 -13.009 7 HA TRP 2 HA TRP 2 59.844 -6.413 -14.502 8 HB2 TRP 2 HB2 TRP 2 62.075 -7.443 -14.050 9 HB3 TRP 2 HB1 TRP 2 61.799 -7.208 -12.307 10 HD1 TRP 2 HD1 TRP 2 60.483 -9.026 -11.090 11 HE1 TRP 2 HE1 TRP 2 59.109 -11.127 -11.773 12 HE3 TRP 2 HE3 TRP 2 60.443 -8.351 -16.165 13 HZ2 TRP 2 HZ2 TRP 2 58.141 -12.324 -14.207 14 HZ3 TRP 2 HZ3 TRP 2 59.287 -9.984 -17.647 15 HH2 TRP 2 HH2 TRP 2 58.138 -11.968 -16.675 16 H GLY 3 HN GLY 3 60.884 -5.928 -11.092 17 HA2 GLY 3 HA1 GLY 3 58.476 -6.698 -9.895 18 HA3 GLY 3 HA2 GLY 3 59.619 -5.537 -9.195 19 H SER 4 HN SER 4 59.501 -3.339 -10.659 20 HA SER 4 HA SER 4 58.225 -1.408 -10.857 21 HB2 SER 4 HB2 SER 4 57.519 -2.663 -12.903 22 HB3 SER 4 HB1 SER 4 56.153 -3.333 -11.982 23 HG SER 4 HG SER 4 55.390 -1.518 -12.963 24 H PHE 5 HN PHE 5 58.141 -1.406 -8.455 25 HA PHE 5 HA PHE 5 55.939 -2.432 -6.986 26 HB2 PHE 5 HB2 PHE 5 57.530 0.115 -6.483 27 HB3 PHE 5 HB1 PHE 5 56.534 -0.752 -5.289 28 HD1 PHE 5 HD1 PHE 5 59.660 -0.812 -7.266 29 HD2 PHE 5 HD2 PHE 5 57.227 -2.942 -4.408 30 HE1 PHE 5 HE1 PHE 5 61.575 -2.325 -6.764 31 HE2 PHE 5 HE2 PHE 5 59.142 -4.454 -3.904 32 HZ PHE 5 HZ PHE 5 61.317 -4.142 -5.079 33 H PHE 6 HN PHE 6 53.850 -2.055 -7.188 34 HA PHE 6 HA PHE 6 52.689 -0.097 -8.837 35 HB2 PHE 6 HB2 PHE 6 51.483 -1.300 -6.315 36 HB3 PHE 6 HB1 PHE 6 50.594 -0.585 -7.683 37 HD1 PHE 6 HD1 PHE 6 52.568 -3.482 -6.512 38 HD2 PHE 6 HD2 PHE 6 50.497 -1.725 -9.867 39 HE1 PHE 6 HE1 PHE 6 52.632 -5.673 -7.700 40 HE2 PHE 6 HE2 PHE 6 50.562 -3.914 -11.054 41 HZ PHE 6 HZ PHE 6 51.677 -5.875 -9.992 42 H LYS 7 HN LYS 7 51.937 1.953 -8.606 43 HA LYS 7 HA LYS 7 53.215 3.631 -6.655 44 HB2 LYS 7 HB2 LYS 7 50.830 4.121 -8.480 45 HB3 LYS 7 HB1 LYS 7 51.663 5.388 -7.547 46 HG2 LYS 7 HG2 LYS 7 53.822 4.674 -8.688 47 HG3 LYS 7 HG1 LYS 7 52.840 3.635 -9.746 48 HD2 LYS 7 HD2 LYS 7 52.592 6.663 -9.443 49 HD3 LYS 7 HD1 LYS 7 53.263 5.797 -10.844 50 HE2 LYS 7 HE2 LYS 7 50.384 5.947 -9.900 51 HE3 LYS 7 HE1 LYS 7 51.047 6.256 -11.521 52 HZ1 LYS 7 HZ1 LYS 7 50.391 3.717 -10.227 53 HZ2 LYS 7 HZ2 LYS 7 51.763 3.734 -11.230 54 HZ3 LYS 7 HZ3 LYS 7 50.247 4.180 -11.852 55 H LYS 8 HN LYS 8 50.457 1.611 -6.483 56 HA LYS 8 HA LYS 8 48.779 3.088 -4.723 57 HB2 LYS 8 HB2 LYS 8 48.282 0.871 -5.894 58 HB3 LYS 8 HB1 LYS 8 49.242 0.086 -4.624 59 HG2 LYS 8 HG2 LYS 8 47.081 -0.070 -3.715 60 HG3 LYS 8 HG1 LYS 8 47.661 1.433 -2.967 61 HD2 LYS 8 HD2 LYS 8 46.465 2.778 -4.625 62 HD3 LYS 8 HD1 LYS 8 46.008 1.318 -5.535 63 HE2 LYS 8 HE2 LYS 8 44.209 2.264 -3.984 64 HE3 LYS 8 HE1 LYS 8 44.594 0.541 -3.761 65 HZ1 LYS 8 HZ1 LYS 8 44.496 2.154 -1.729 66 HZ2 LYS 8 HZ2 LYS 8 46.078 2.547 -2.204 67 HZ3 LYS 8 HZ3 LYS 8 45.681 0.945 -1.805 68 H ALA 9 HN ALA 9 49.099 3.844 -2.744 69 HA ALA 9 HA ALA 9 50.447 2.242 -0.714 70 HB1 ALA 9 HB1 ALA 9 52.263 3.884 -0.273 71 HB2 ALA 9 HB2 ALA 9 51.821 4.737 -1.772 72 HB3 ALA 9 HB3 ALA 9 52.438 3.069 -1.844 73 H ALA 10 HN ALA 10 50.993 3.966 1.223 74 HA ALA 10 HA ALA 10 48.371 4.912 1.999 75 HB1 ALA 10 HB1 ALA 10 51.103 5.445 3.218 76 HB2 ALA 10 HB2 ALA 10 50.021 4.090 3.622 77 HB3 ALA 10 HB3 ALA 10 49.535 5.761 3.999 78 H HIS 11 HN HIS 11 47.734 7.071 2.517 79 HA HIS 11 HA HIS 11 49.330 9.341 1.684 80 HB2 HIS 11 HB2 HIS 11 47.920 10.052 -0.225 81 HB3 HIS 11 HB1 HIS 11 48.764 8.521 -0.562 82 HD1 HIS 11 HD1 HIS 11 46.900 6.596 1.056 83 HD2 HIS 11 HD2 HIS 11 45.583 9.497 -1.688 84 HE1 HIS 11 HE1 HIS 11 44.565 5.906 0.280 85 H ALA 12 HN ALA 12 46.395 7.824 2.762 86 HA ALA 12 HA ALA 12 44.975 10.333 3.304 87 HB1 ALA 12 HB1 ALA 12 43.326 8.913 4.368 88 HB2 ALA 12 HB2 ALA 12 44.463 7.543 4.392 89 HB3 ALA 12 HB3 ALA 12 43.839 8.156 2.841 90 H GLY 13 HN GLY 13 47.328 10.862 4.367 91 HA2 GLY 13 HA1 GLY 13 46.779 11.421 7.083 92 HA3 GLY 13 HA2 GLY 13 47.753 9.938 7.046 93 H LYS 14 HN LYS 14 47.978 12.561 4.682 94 HA LYS 14 HA LYS 14 50.203 13.896 5.957 95 HB2 LYS 14 HB2 LYS 14 51.351 11.774 5.385 96 HB3 LYS 14 HB1 LYS 14 50.890 11.997 3.680 97 HG2 LYS 14 HG2 LYS 14 52.206 14.012 3.501 98 HG3 LYS 14 HG1 LYS 14 52.485 14.056 5.259 99 HD2 LYS 14 HD2 LYS 14 53.731 11.908 5.104 100 HD3 LYS 14 HD1 LYS 14 53.483 11.902 3.341 101 HE2 LYS 14 HE2 LYS 14 54.735 13.994 3.115 102 HE3 LYS 14 HE1 LYS 14 54.898 14.121 4.883 103 HZ1 LYS 14 HZ1 LYS 14 56.640 12.874 3.180 104 HZ2 LYS 14 HZ2 LYS 14 55.784 11.586 3.883 105 HZ3 LYS 14 HZ3 LYS 14 56.598 12.707 4.867 106 H HIS 15 HN HIS 15 49.775 12.934 2.536 107 HA HIS 15 HA HIS 15 49.873 15.714 1.683 108 HB2 HIS 15 HB2 HIS 15 50.721 13.877 0.271 109 HB3 HIS 15 HB1 HIS 15 49.082 13.191 0.169 110 HD1 HIS 15 HD1 HIS 15 48.303 13.648 -2.168 111 HD2 HIS 15 HD2 HIS 15 50.075 17.019 -0.386 112 HE1 HIS 15 HE1 HIS 15 48.046 15.596 -3.801 113 H ALA 16 HN ALA 16 47.445 13.764 3.009 114 HA ALA 16 HA ALA 16 45.431 15.812 2.553 115 HB1 ALA 16 HB1 ALA 16 43.835 14.408 1.314 116 HB2 ALA 16 HB2 ALA 16 45.061 13.122 1.187 117 HB3 ALA 16 HB3 ALA 16 45.318 14.682 0.369 118 H GLY 17 HN GLY 17 46.272 15.159 4.919 119 HA2 GLY 17 HA1 GLY 17 44.965 12.824 6.060 120 HA3 GLY 17 HA2 GLY 17 45.773 14.131 6.944 121 H LYS 18 HN LYS 18 43.344 15.012 4.631 122 HA LYS 18 HA LYS 18 41.316 16.099 4.952 123 HB2 LYS 18 HB2 LYS 18 41.027 13.910 7.048 124 HB3 LYS 18 HB1 LYS 18 39.696 14.914 6.425 125 HG2 LYS 18 HG2 LYS 18 40.306 14.116 4.094 126 HG3 LYS 18 HG1 LYS 18 41.438 12.970 4.852 127 HD2 LYS 18 HD2 LYS 18 39.494 12.086 6.219 128 HD3 LYS 18 HD1 LYS 18 38.417 13.102 5.231 129 HE2 LYS 18 HE2 LYS 18 39.420 11.957 3.176 130 HE3 LYS 18 HE1 LYS 18 40.189 10.809 4.299 131 HZ1 LYS 18 HZ1 LYS 18 37.613 10.897 5.151 132 HZ2 LYS 18 HZ2 LYS 18 38.277 9.697 4.149 133 HZ3 LYS 18 HZ3 LYS 18 37.438 11.008 3.468 134 H ALA 19 HN ALA 19 43.766 16.560 6.897 135 HA ALA 19 HA ALA 19 42.499 18.751 8.314 136 HB1 ALA 19 HB1 ALA 19 43.537 16.497 10.057 137 HB2 ALA 19 HB2 ALA 19 41.811 16.746 9.698 138 HB3 ALA 19 HB3 ALA 19 42.730 17.995 10.574 139 H ALA 20 HN ALA 20 45.141 16.854 7.266 140 HA ALA 20 HA ALA 20 47.224 18.216 8.772 141 HB1 ALA 20 HB1 ALA 20 47.265 16.580 6.214 142 HB2 ALA 20 HB2 ALA 20 47.662 16.027 7.859 143 HB3 ALA 20 HB3 ALA 20 48.722 17.193 7.031 144 H LEU 21 HN LEU 21 47.608 18.150 5.314 145 HA LEU 21 HA LEU 21 48.133 21.054 5.312 146 HB2 LEU 21 HB2 LEU 21 48.107 19.207 2.902 147 HB3 LEU 21 HB1 LEU 21 49.027 20.712 3.139 148 HG LEU 21 HG LEU 21 49.435 18.084 4.635 149 HD11 LEU 21 HD11 LEU 21 51.255 19.604 2.717 150 HD12 LEU 21 HD12 LEU 21 50.266 18.195 2.263 151 HD13 LEU 21 HD13 LEU 21 51.573 18.018 3.458 152 HD21 LEU 21 HD21 LEU 21 49.929 19.822 6.203 153 HD22 LEU 21 HD22 LEU 21 50.662 20.855 4.953 154 HD23 LEU 21 HD23 LEU 21 51.503 19.385 5.502 155 H THR 22 HN THR 22 45.682 21.174 6.023 156 HA THR 22 HA THR 22 44.281 22.240 3.687 157 HB THR 22 HB THR 22 43.048 19.854 5.138 158 HG1 THR 22 HG1 THR 22 44.701 19.361 3.588 159 HG21 THR 22 HG21 THR 22 41.347 20.149 3.226 160 HG22 THR 22 HG22 THR 22 42.062 21.760 2.984 161 HG23 THR 22 HG23 THR 22 41.291 21.351 4.536 162 H HIS 23 HN HIS 23 44.813 21.771 7.039 163 HA HIS 23 HA HIS 23 42.975 24.044 7.646 164 HB2 HIS 23 HB2 HIS 23 41.728 21.873 8.063 165 HB3 HIS 23 HB1 HIS 23 42.957 21.483 9.290 166 HD1 HIS 23 HD1 HIS 23 41.646 25.003 8.685 167 HD2 HIS 23 HD2 HIS 23 41.187 21.893 11.478 168 HE1 HIS 23 HE1 HIS 23 40.409 25.966 10.702 169 H TYR 24 HN TYR 24 45.807 23.919 7.375 170 HA TYR 24 HA TYR 24 47.228 23.489 9.777 171 HB2 TYR 24 HB2 TYR 24 48.219 24.037 7.537 172 HB3 TYR 24 HB1 TYR 24 47.711 25.728 7.772 173 HD1 TYR 24 HD1 TYR 24 49.971 23.032 8.957 174 HD2 TYR 24 HD2 TYR 24 48.800 27.161 9.424 175 HE1 TYR 24 HE1 TYR 24 52.016 23.458 10.314 176 HE2 TYR 24 HE2 TYR 24 50.845 27.587 10.781 177 HH TYR 24 HH TYR 24 52.791 25.178 12.056 178 H LEU 25 HN LEU 25 44.778 25.783 9.085 179 HA LEU 25 HA LEU 25 45.682 27.866 10.908 180 HB2 LEU 25 HB2 LEU 25 42.802 27.364 10.086 181 HB3 LEU 25 HB1 LEU 25 43.598 28.909 10.470 182 HG LEU 25 HG LEU 25 44.134 27.141 8.041 183 HD11 LEU 25 HD11 LEU 25 42.022 28.531 8.055 184 HD12 LEU 25 HD12 LEU 25 43.173 28.982 6.774 185 HD13 LEU 25 HD13 LEU 25 43.038 29.979 8.242 186 HD21 LEU 25 HD21 LEU 25 45.572 29.185 7.375 187 HD22 LEU 25 HD22 LEU 25 46.241 28.120 8.632 188 HD23 LEU 25 HD23 LEU 25 45.483 29.666 9.086 Start of MODEL 28 1 H1 GLY 1 HT1 GLY 1 60.055 1.224 -10.597 2 H2 GLY 1 HT2 GLY 1 59.887 0.210 -11.950 3 H3 GLY 1 HT3 GLY 1 61.208 1.273 -11.838 4 HA2 GLY 1 HA1 GLY 1 60.896 -1.346 -10.846 5 HA3 GLY 1 HA2 GLY 1 62.360 -0.355 -11.004 6 H TRP 2 HN TRP 2 59.671 0.956 -9.240 7 HA TRP 2 HA TRP 2 60.465 -0.097 -6.641 8 HB2 TRP 2 HB2 TRP 2 62.350 1.454 -7.026 9 HB3 TRP 2 HB1 TRP 2 61.200 2.782 -7.308 10 HD1 TRP 2 HD1 TRP 2 61.741 0.118 -4.526 11 HE1 TRP 2 HE1 TRP 2 61.434 1.256 -2.208 12 HE3 TRP 2 HE3 TRP 2 60.637 4.865 -6.096 13 HZ2 TRP 2 HZ2 TRP 2 60.795 3.878 -1.204 14 HZ3 TRP 2 HZ3 TRP 2 60.182 6.668 -4.440 15 HH2 TRP 2 HH2 TRP 2 60.261 6.181 -1.999 16 H GLY 3 HN GLY 3 58.188 -0.528 -6.726 17 HA2 GLY 3 HA1 GLY 3 56.606 1.245 -5.261 18 HA3 GLY 3 HA2 GLY 3 56.281 1.638 -6.961 19 H SER 4 HN SER 4 57.203 -1.618 -6.396 20 HA SER 4 HA SER 4 55.995 -3.579 -6.688 21 HB2 SER 4 HB2 SER 4 53.843 -2.178 -5.062 22 HB3 SER 4 HB1 SER 4 54.164 -3.923 -5.170 23 HG SER 4 HG SER 4 55.318 -3.478 -3.444 24 H PHE 5 HN PHE 5 52.935 -3.536 -6.525 25 HA PHE 5 HA PHE 5 52.433 -3.557 -9.324 26 HB2 PHE 5 HB2 PHE 5 50.301 -2.998 -7.236 27 HB3 PHE 5 HB1 PHE 5 50.161 -3.917 -8.755 28 HD1 PHE 5 HD1 PHE 5 50.974 -6.217 -8.923 29 HD2 PHE 5 HD2 PHE 5 51.445 -3.960 -5.274 30 HE1 PHE 5 HE1 PHE 5 51.562 -8.309 -7.704 31 HE2 PHE 5 HE2 PHE 5 52.032 -6.051 -4.055 32 HZ PHE 5 HZ PHE 5 52.042 -8.233 -5.259 33 H PHE 6 HN PHE 6 49.968 -2.072 -9.482 34 HA PHE 6 HA PHE 6 51.020 0.436 -10.417 35 HB2 PHE 6 HB2 PHE 6 48.164 -0.440 -9.832 36 HB3 PHE 6 HB1 PHE 6 48.613 1.048 -10.700 37 HD1 PHE 6 HD1 PHE 6 49.715 0.940 -12.917 38 HD2 PHE 6 HD2 PHE 6 48.412 -2.630 -10.872 39 HE1 PHE 6 HE1 PHE 6 49.940 -0.355 -15.034 40 HE2 PHE 6 HE2 PHE 6 48.636 -3.924 -12.989 41 HZ PHE 6 HZ PHE 6 49.370 -2.780 -15.077 42 H LYS 7 HN LYS 7 49.776 -0.665 -7.345 43 HA LYS 7 HA LYS 7 50.692 1.723 -6.010 44 HB2 LYS 7 HB2 LYS 7 48.535 2.609 -5.243 45 HB3 LYS 7 HB1 LYS 7 48.629 2.670 -7.019 46 HG2 LYS 7 HG2 LYS 7 47.402 0.449 -7.073 47 HG3 LYS 7 HG1 LYS 7 47.149 0.619 -5.320 48 HD2 LYS 7 HD2 LYS 7 46.096 2.883 -5.784 49 HD3 LYS 7 HD1 LYS 7 46.163 2.482 -7.517 50 HE2 LYS 7 HE2 LYS 7 43.961 1.869 -6.700 51 HE3 LYS 7 HE1 LYS 7 44.870 0.369 -6.998 52 HZ1 LYS 7 HZ1 LYS 7 44.668 -0.172 -4.871 53 HZ2 LYS 7 HZ2 LYS 7 43.684 1.192 -4.624 54 HZ3 LYS 7 HZ3 LYS 7 45.361 1.293 -4.369 55 H LYS 8 HN LYS 8 49.758 1.737 -3.650 56 HA LYS 8 HA LYS 8 48.799 -0.792 -2.617 57 HB2 LYS 8 HB2 LYS 8 51.194 -1.362 -3.255 58 HB3 LYS 8 HB1 LYS 8 51.720 -0.182 -2.030 59 HG2 LYS 8 HG2 LYS 8 50.577 -1.425 -0.267 60 HG3 LYS 8 HG1 LYS 8 49.881 -2.548 -1.459 61 HD2 LYS 8 HD2 LYS 8 52.183 -3.253 -2.109 62 HD3 LYS 8 HD1 LYS 8 52.847 -2.177 -0.855 63 HE2 LYS 8 HE2 LYS 8 52.732 -4.392 0.101 64 HE3 LYS 8 HE1 LYS 8 51.424 -3.435 0.837 65 HZ1 LYS 8 HZ1 LYS 8 51.129 -5.299 -1.468 66 HZ2 LYS 8 HZ2 LYS 8 49.881 -4.386 -0.763 67 HZ3 LYS 8 HZ3 LYS 8 50.646 -5.614 0.127 68 H ALA 9 HN ALA 9 49.958 2.436 -2.356 69 HA ALA 9 HA ALA 9 48.441 2.846 0.093 70 HB1 ALA 9 HB1 ALA 9 50.325 3.560 1.505 71 HB2 ALA 9 HB2 ALA 9 51.469 3.053 0.239 72 HB3 ALA 9 HB3 ALA 9 50.463 1.841 1.068 73 H ALA 10 HN ALA 10 51.353 4.237 -1.504 74 HA ALA 10 HA ALA 10 51.749 6.409 -2.226 75 HB1 ALA 10 HB1 ALA 10 50.076 5.518 -3.911 76 HB2 ALA 10 HB2 ALA 10 50.149 7.291 -3.768 77 HB3 ALA 10 HB3 ALA 10 48.818 6.388 -3.003 78 H HIS 11 HN HIS 11 49.999 8.641 -2.435 79 HA HIS 11 HA HIS 11 48.847 9.122 0.232 80 HB2 HIS 11 HB2 HIS 11 51.333 10.636 -0.669 81 HB3 HIS 11 HB1 HIS 11 50.344 11.017 0.761 82 HD1 HIS 11 HD1 HIS 11 52.812 8.495 -0.607 83 HD2 HIS 11 HD2 HIS 11 50.705 9.252 2.954 84 HE1 HIS 11 HE1 HIS 11 53.765 6.944 1.186 85 H ALA 12 HN ALA 12 50.395 11.319 -2.133 86 HA ALA 12 HA ALA 12 49.480 13.080 -3.336 87 HB1 ALA 12 HB1 ALA 12 47.317 12.553 -4.511 88 HB2 ALA 12 HB2 ALA 12 47.254 11.033 -3.586 89 HB3 ALA 12 HB3 ALA 12 48.589 11.328 -4.725 90 H GLY 13 HN GLY 13 49.300 13.500 -0.648 91 HA2 GLY 13 HA1 GLY 13 48.128 14.688 0.958 92 HA3 GLY 13 HA2 GLY 13 47.388 15.529 -0.420 93 H LYS 14 HN LYS 14 47.097 12.824 1.842 94 HA LYS 14 HA LYS 14 44.222 13.112 1.943 95 HB2 LYS 14 HB2 LYS 14 44.303 11.984 -0.232 96 HB3 LYS 14 HB1 LYS 14 45.316 10.691 0.454 97 HG2 LYS 14 HG2 LYS 14 43.546 9.893 1.848 98 HG3 LYS 14 HG1 LYS 14 42.575 11.363 1.595 99 HD2 LYS 14 HD2 LYS 14 41.740 9.402 0.270 100 HD3 LYS 14 HD1 LYS 14 42.216 10.778 -0.753 101 HE2 LYS 14 HE2 LYS 14 44.245 9.726 -1.422 102 HE3 LYS 14 HE1 LYS 14 44.154 8.524 -0.110 103 HZ1 LYS 14 HZ1 LYS 14 43.436 7.895 -2.514 104 HZ2 LYS 14 HZ2 LYS 14 41.983 8.670 -2.097 105 HZ3 LYS 14 HZ3 LYS 14 42.532 7.341 -1.192 106 H HIS 15 HN HIS 15 46.042 10.049 2.014 107 HA HIS 15 HA HIS 15 45.181 9.555 4.754 108 HB2 HIS 15 HB2 HIS 15 47.122 8.130 2.895 109 HB3 HIS 15 HB1 HIS 15 46.715 7.547 4.527 110 HD1 HIS 15 HD1 HIS 15 45.884 6.612 1.325 111 HD2 HIS 15 HD2 HIS 15 43.483 7.900 4.530 112 HE1 HIS 15 HE1 HIS 15 43.515 5.757 0.894 113 H ALA 16 HN ALA 16 47.645 11.421 3.391 114 HA ALA 16 HA ALA 16 49.741 10.904 5.328 115 HB1 ALA 16 HB1 ALA 16 50.296 11.909 3.208 116 HB2 ALA 16 HB2 ALA 16 50.640 13.095 4.491 117 HB3 ALA 16 HB3 ALA 16 49.172 13.257 3.497 118 H GLY 17 HN GLY 17 47.330 13.547 4.953 119 HA2 GLY 17 HA1 GLY 17 46.238 14.743 6.632 120 HA3 GLY 17 HA2 GLY 17 47.051 13.751 7.858 121 H LYS 18 HN LYS 18 49.725 14.327 6.651 122 HA LYS 18 HA LYS 18 50.449 16.517 8.305 123 HB2 LYS 18 HB2 LYS 18 51.807 15.381 5.830 124 HB3 LYS 18 HB1 LYS 18 52.560 16.544 6.948 125 HG2 LYS 18 HG2 LYS 18 52.170 14.934 8.827 126 HG3 LYS 18 HG1 LYS 18 51.535 13.758 7.651 127 HD2 LYS 18 HD2 LYS 18 53.687 13.764 6.449 128 HD3 LYS 18 HD1 LYS 18 54.329 14.982 7.578 129 HE2 LYS 18 HE2 LYS 18 54.034 13.409 9.462 130 HE3 LYS 18 HE1 LYS 18 53.368 12.192 8.349 131 HZ1 LYS 18 HZ1 LYS 18 56.061 13.398 8.004 132 HZ2 LYS 18 HZ2 LYS 18 55.424 12.029 7.227 133 HZ3 LYS 18 HZ3 LYS 18 55.797 11.972 8.884 134 H ALA 19 HN ALA 19 48.853 16.459 5.263 135 HA ALA 19 HA ALA 19 48.641 19.354 5.240 136 HB1 ALA 19 HB1 ALA 19 49.744 19.685 3.028 137 HB2 ALA 19 HB2 ALA 19 50.373 18.022 3.130 138 HB3 ALA 19 HB3 ALA 19 50.884 19.243 4.321 139 H ALA 20 HN ALA 20 46.570 17.830 5.428 140 HA ALA 20 HA ALA 20 45.122 18.264 2.966 141 HB1 ALA 20 HB1 ALA 20 46.350 16.263 2.249 142 HB2 ALA 20 HB2 ALA 20 44.614 15.912 2.429 143 HB3 ALA 20 HB3 ALA 20 45.766 15.381 3.679 144 H LEU 21 HN LEU 21 45.125 15.893 5.677 145 HA LEU 21 HA LEU 21 42.281 16.118 6.074 146 HB2 LEU 21 HB2 LEU 21 43.738 14.175 6.771 147 HB3 LEU 21 HB1 LEU 21 44.383 15.200 8.070 148 HG LEU 21 HG LEU 21 41.987 15.530 8.881 149 HD11 LEU 21 HD11 LEU 21 41.507 13.503 6.665 150 HD12 LEU 21 HD12 LEU 21 40.561 14.951 7.085 151 HD13 LEU 21 HD13 LEU 21 40.472 13.507 8.112 152 HD21 LEU 21 HD21 LEU 21 41.917 13.330 10.000 153 HD22 LEU 21 HD22 LEU 21 43.587 13.939 9.924 154 HD23 LEU 21 HD23 LEU 21 43.050 12.670 8.797 155 H THR 22 HN THR 22 42.073 18.474 6.067 156 HA THR 22 HA THR 22 41.918 20.540 7.129 157 HB THR 22 HB THR 22 41.103 20.434 9.496 158 HG1 THR 22 HG1 THR 22 40.752 17.923 9.881 159 HG21 THR 22 HG21 THR 22 39.063 19.157 8.994 160 HG22 THR 22 HG22 THR 22 39.887 18.341 7.644 161 HG23 THR 22 HG23 THR 22 39.568 20.091 7.566 162 H HIS 23 HN HIS 23 44.468 20.306 6.661 163 HA HIS 23 HA HIS 23 46.087 20.286 9.114 164 HB2 HIS 23 HB2 HIS 23 47.937 20.887 7.578 165 HB3 HIS 23 HB1 HIS 23 47.021 19.480 6.988 166 HD1 HIS 23 HD1 HIS 23 48.051 22.931 6.099 167 HD2 HIS 23 HD2 HIS 23 45.077 20.224 4.872 168 HE1 HIS 23 HE1 HIS 23 47.171 23.737 3.840 169 H TYR 24 HN TYR 24 45.717 21.921 10.508 170 HA TYR 24 HA TYR 24 44.852 24.533 9.818 171 HB2 TYR 24 HB2 TYR 24 46.480 23.526 12.183 172 HB3 TYR 24 HB1 TYR 24 45.817 25.174 12.070 173 HD1 TYR 24 HD1 TYR 24 44.985 21.571 12.382 174 HD2 TYR 24 HD2 TYR 24 43.411 25.586 12.211 175 HE1 TYR 24 HE1 TYR 24 42.776 20.739 13.180 176 HE2 TYR 24 HE2 TYR 24 41.203 24.755 13.010 177 HH TYR 24 HH TYR 24 40.049 22.063 12.956 178 H LEU 25 HN LEU 25 48.148 23.206 10.219 179 HA LEU 25 HA LEU 25 49.445 25.765 9.766 180 HB2 LEU 25 HB2 LEU 25 50.357 22.868 9.756 181 HB3 LEU 25 HB1 LEU 25 51.464 24.177 9.281 182 HG LEU 25 HG LEU 25 51.176 25.275 11.443 183 HD11 LEU 25 HD11 LEU 25 48.893 24.857 12.007 184 HD12 LEU 25 HD12 LEU 25 49.833 23.979 13.234 185 HD13 LEU 25 HD13 LEU 25 49.097 23.094 11.876 186 HD21 LEU 25 HD21 LEU 25 52.860 23.458 11.262 187 HD22 LEU 25 HD22 LEU 25 51.631 22.273 11.768 188 HD23 LEU 25 HD23 LEU 25 52.170 23.536 12.900 Start of MODEL 29 1 H1 GLY 1 HT1 GLY 1 57.872 7.049 -7.519 2 H2 GLY 1 HT2 GLY 1 57.063 7.447 -6.078 3 H3 GLY 1 HT3 GLY 1 58.265 6.247 -6.078 4 HA2 GLY 1 HA1 GLY 1 59.894 7.669 -5.880 5 HA3 GLY 1 HA2 GLY 1 59.182 8.729 -7.111 6 H TRP 2 HN TRP 2 56.861 9.573 -6.194 7 HA TRP 2 HA TRP 2 57.634 11.380 -4.054 8 HB2 TRP 2 HB2 TRP 2 54.963 10.823 -5.405 9 HB3 TRP 2 HB1 TRP 2 55.233 12.121 -4.218 10 HD1 TRP 2 HD1 TRP 2 57.527 13.705 -4.924 11 HE1 TRP 2 HE1 TRP 2 58.026 14.777 -7.241 12 HE3 TRP 2 HE3 TRP 2 54.577 10.713 -7.851 13 HZ2 TRP 2 HZ2 TRP 2 57.231 14.367 -9.980 14 HZ3 TRP 2 HZ3 TRP 2 54.462 11.072 -10.311 15 HH2 TRP 2 HH2 TRP 2 55.785 12.894 -11.378 16 H GLY 3 HN GLY 3 54.584 9.542 -4.093 17 HA2 GLY 3 HA1 GLY 3 55.141 7.848 -1.878 18 HA3 GLY 3 HA2 GLY 3 54.461 9.364 -1.250 19 H SER 4 HN SER 4 53.812 7.362 -4.160 20 HA SER 4 HA SER 4 51.203 6.540 -3.152 21 HB2 SER 4 HB2 SER 4 51.226 8.535 -5.448 22 HB3 SER 4 HB1 SER 4 49.807 7.772 -4.698 23 HG SER 4 HG SER 4 50.115 8.967 -2.900 24 H PHE 5 HN PHE 5 53.850 5.802 -4.650 25 HA PHE 5 HA PHE 5 52.889 4.743 -7.203 26 HB2 PHE 5 HB2 PHE 5 55.106 3.670 -7.308 27 HB3 PHE 5 HB1 PHE 5 55.250 5.388 -6.863 28 HD1 PHE 5 HD1 PHE 5 55.335 1.894 -5.563 29 HD2 PHE 5 HD2 PHE 5 56.054 6.056 -4.679 30 HE1 PHE 5 HE1 PHE 5 56.515 1.245 -3.467 31 HE2 PHE 5 HE2 PHE 5 57.234 5.408 -2.583 32 HZ PHE 5 HZ PHE 5 57.530 2.999 -2.017 33 H PHE 6 HN PHE 6 52.420 3.842 -4.002 34 HA PHE 6 HA PHE 6 52.714 0.994 -4.144 35 HB2 PHE 6 HB2 PHE 6 50.783 2.664 -2.483 36 HB3 PHE 6 HB1 PHE 6 51.204 0.959 -2.191 37 HD1 PHE 6 HD1 PHE 6 53.647 0.354 -1.745 38 HD2 PHE 6 HD2 PHE 6 52.203 4.422 -1.691 39 HE1 PHE 6 HE1 PHE 6 55.666 1.055 -0.464 40 HE2 PHE 6 HE2 PHE 6 54.223 5.122 -0.409 41 HZ PHE 6 HZ PHE 6 55.952 3.437 0.206 42 H LYS 7 HN LYS 7 51.178 -0.660 -4.435 43 HA LYS 7 HA LYS 7 49.287 -0.109 -6.583 44 HB2 LYS 7 HB2 LYS 7 48.756 -2.509 -6.400 45 HB3 LYS 7 HB1 LYS 7 50.517 -2.247 -6.429 46 HG2 LYS 7 HG2 LYS 7 50.436 -2.270 -3.869 47 HG3 LYS 7 HG1 LYS 7 48.762 -2.853 -4.013 48 HD2 LYS 7 HD2 LYS 7 51.257 -4.202 -5.141 49 HD3 LYS 7 HD1 LYS 7 50.287 -4.761 -3.759 50 HE2 LYS 7 HE2 LYS 7 49.543 -4.712 -6.701 51 HE3 LYS 7 HE1 LYS 7 49.489 -6.075 -5.561 52 HZ1 LYS 7 HZ1 LYS 7 47.303 -5.490 -5.612 53 HZ2 LYS 7 HZ2 LYS 7 47.609 -3.845 -5.896 54 HZ3 LYS 7 HZ3 LYS 7 47.811 -4.493 -4.339 55 H LYS 8 HN LYS 8 49.170 -0.063 -3.135 56 HA LYS 8 HA LYS 8 46.434 -0.797 -2.725 57 HB2 LYS 8 HB2 LYS 8 48.227 1.118 -1.180 58 HB3 LYS 8 HB1 LYS 8 46.658 0.503 -0.607 59 HG2 LYS 8 HG2 LYS 8 47.518 -1.830 -0.827 60 HG3 LYS 8 HG1 LYS 8 49.101 -1.179 -1.317 61 HD2 LYS 8 HD2 LYS 8 49.288 0.017 0.841 62 HD3 LYS 8 HD1 LYS 8 47.698 -0.616 1.333 63 HE2 LYS 8 HE2 LYS 8 48.633 -2.956 0.991 64 HE3 LYS 8 HE1 LYS 8 50.236 -2.209 0.785 65 HZ1 LYS 8 HZ1 LYS 8 49.360 -2.986 3.130 66 HZ2 LYS 8 HZ2 LYS 8 48.652 -1.442 3.130 67 HZ3 LYS 8 HZ3 LYS 8 50.334 -1.608 2.961 68 H ALA 9 HN ALA 9 45.033 0.090 -4.204 69 HA ALA 9 HA ALA 9 45.035 2.962 -4.762 70 HB1 ALA 9 HB1 ALA 9 44.288 1.404 -6.463 71 HB2 ALA 9 HB2 ALA 9 42.915 2.424 -5.968 72 HB3 ALA 9 HB3 ALA 9 43.044 0.752 -5.372 73 H ALA 10 HN ALA 10 45.028 3.274 -2.255 74 HA ALA 10 HA ALA 10 42.414 4.329 -1.600 75 HB1 ALA 10 HB1 ALA 10 41.980 2.917 0.385 76 HB2 ALA 10 HB2 ALA 10 43.348 1.874 -0.073 77 HB3 ALA 10 HB3 ALA 10 41.916 1.981 -1.127 78 H HIS 11 HN HIS 11 42.381 5.218 0.678 79 HA HIS 11 HA HIS 11 44.873 6.652 1.106 80 HB2 HIS 11 HB2 HIS 11 43.677 7.650 3.030 81 HB3 HIS 11 HB1 HIS 11 42.680 7.679 1.555 82 HD1 HIS 11 HD1 HIS 11 40.844 5.705 1.330 83 HD2 HIS 11 HD2 HIS 11 42.489 6.309 5.154 84 HE1 HIS 11 HE1 HIS 11 39.335 4.504 3.008 85 H ALA 12 HN ALA 12 45.737 6.837 3.436 86 HA ALA 12 HA ALA 12 45.587 4.512 5.139 87 HB1 ALA 12 HB1 ALA 12 47.869 3.644 4.750 88 HB2 ALA 12 HB2 ALA 12 48.043 4.750 3.366 89 HB3 ALA 12 HB3 ALA 12 46.831 3.447 3.319 90 H GLY 13 HN GLY 13 46.231 7.650 4.488 91 HA2 GLY 13 HA1 GLY 13 46.949 9.351 5.897 92 HA3 GLY 13 HA2 GLY 13 47.237 8.141 7.164 93 H LYS 14 HN LYS 14 48.910 10.357 6.718 94 HA LYS 14 HA LYS 14 51.157 10.859 6.457 95 HB2 LYS 14 HB2 LYS 14 51.609 7.852 6.494 96 HB3 LYS 14 HB1 LYS 14 52.755 9.132 6.962 97 HG2 LYS 14 HG2 LYS 14 51.209 9.815 8.798 98 HG3 LYS 14 HG1 LYS 14 50.121 8.478 8.355 99 HD2 LYS 14 HD2 LYS 14 51.799 6.826 8.898 100 HD3 LYS 14 HD1 LYS 14 53.050 8.079 9.091 101 HE2 LYS 14 HE2 LYS 14 52.172 7.291 11.290 102 HE3 LYS 14 HE1 LYS 14 51.843 9.020 11.020 103 HZ1 LYS 14 HZ1 LYS 14 49.961 6.739 10.753 104 HZ2 LYS 14 HZ2 LYS 14 49.624 8.283 10.129 105 HZ3 LYS 14 HZ3 LYS 14 49.849 8.068 11.800 106 H HIS 15 HN HIS 15 49.332 9.783 4.120 107 HA HIS 15 HA HIS 15 51.403 10.177 2.064 108 HB2 HIS 15 HB2 HIS 15 49.844 7.561 2.165 109 HB3 HIS 15 HB1 HIS 15 50.978 8.070 0.890 110 HD1 HIS 15 HD1 HIS 15 50.803 6.668 4.368 111 HD2 HIS 15 HD2 HIS 15 53.738 7.999 1.669 112 HE1 HIS 15 HE1 HIS 15 53.073 5.960 5.301 113 H ALA 16 HN ALA 16 48.132 9.814 3.185 114 HA ALA 16 HA ALA 16 47.156 11.608 1.117 115 HB1 ALA 16 HB1 ALA 16 45.628 10.103 -0.000 116 HB2 ALA 16 HB2 ALA 16 46.130 8.750 1.043 117 HB3 ALA 16 HB3 ALA 16 47.273 9.439 -0.135 118 H GLY 17 HN GLY 17 47.281 11.360 4.028 119 HA2 GLY 17 HA1 GLY 17 44.620 10.653 4.972 120 HA3 GLY 17 HA2 GLY 17 45.893 11.481 5.890 121 H LYS 18 HN LYS 18 44.592 12.543 2.769 122 HA LYS 18 HA LYS 18 43.622 14.576 2.196 123 HB2 LYS 18 HB2 LYS 18 42.133 14.151 4.818 124 HB3 LYS 18 HB1 LYS 18 41.620 15.191 3.467 125 HG2 LYS 18 HG2 LYS 18 41.586 13.180 1.977 126 HG3 LYS 18 HG1 LYS 18 41.991 12.165 3.381 127 HD2 LYS 18 HD2 LYS 18 39.927 12.998 4.532 128 HD3 LYS 18 HD1 LYS 18 39.506 13.904 3.058 129 HE2 LYS 18 HE2 LYS 18 39.733 10.889 3.395 130 HE3 LYS 18 HE1 LYS 18 38.298 11.833 2.930 131 HZ1 LYS 18 HZ1 LYS 18 39.968 12.588 1.029 132 HZ2 LYS 18 HZ2 LYS 18 38.989 11.207 0.882 133 HZ3 LYS 18 HZ3 LYS 18 40.621 11.053 1.334 134 H ALA 19 HN ALA 19 46.032 14.501 4.034 135 HA ALA 19 HA ALA 19 46.131 17.378 4.502 136 HB1 ALA 19 HB1 ALA 19 46.396 17.354 6.891 137 HB2 ALA 19 HB2 ALA 19 46.315 15.576 6.937 138 HB3 ALA 19 HB3 ALA 19 44.868 16.524 6.513 139 H ALA 20 HN ALA 20 47.490 14.138 5.041 140 HA ALA 20 HA ALA 20 50.183 15.003 5.540 141 HB1 ALA 20 HB1 ALA 20 49.518 12.764 6.108 142 HB2 ALA 20 HB2 ALA 20 50.757 12.651 4.835 143 HB3 ALA 20 HB3 ALA 20 49.039 12.420 4.430 144 H LEU 21 HN LEU 21 48.422 14.092 2.567 145 HA LEU 21 HA LEU 21 50.520 14.080 0.727 146 HB2 LEU 21 HB2 LEU 21 48.283 13.518 0.036 147 HB3 LEU 21 HB1 LEU 21 47.676 15.130 0.469 148 HG LEU 21 HG LEU 21 48.897 16.167 -1.350 149 HD11 LEU 21 HD11 LEU 21 50.238 14.607 -2.930 150 HD12 LEU 21 HD12 LEU 21 50.224 13.437 -1.588 151 HD13 LEU 21 HD13 LEU 21 50.995 15.028 -1.376 152 HD21 LEU 21 HD21 LEU 21 47.821 15.129 -3.253 153 HD22 LEU 21 HD22 LEU 21 46.745 14.912 -1.851 154 HD23 LEU 21 HD23 LEU 21 47.747 13.557 -2.423 155 H THR 22 HN THR 22 48.391 16.949 1.080 156 HA THR 22 HA THR 22 50.153 18.766 -0.162 157 HB THR 22 HB THR 22 48.860 20.544 0.878 158 HG1 THR 22 HG1 THR 22 47.522 20.099 2.621 159 HG21 THR 22 HG21 THR 22 46.561 19.772 0.364 160 HG22 THR 22 HG22 THR 22 47.129 18.086 0.377 161 HG23 THR 22 HG23 THR 22 47.722 19.216 -0.864 162 H HIS 23 HN HIS 23 50.280 17.339 3.005 163 HA HIS 23 HA HIS 23 51.731 17.651 4.783 164 HB2 HIS 23 HB2 HIS 23 53.293 17.109 2.795 165 HB3 HIS 23 HB1 HIS 23 53.670 18.847 2.767 166 HD1 HIS 23 HD1 HIS 23 52.965 17.902 6.197 167 HD2 HIS 23 HD2 HIS 23 56.319 17.698 3.669 168 HE1 HIS 23 HE1 HIS 23 55.015 17.544 7.678 169 H TYR 24 HN TYR 24 53.912 19.859 4.536 170 HA TYR 24 HA TYR 24 52.311 21.902 5.917 171 HB2 TYR 24 HB2 TYR 24 54.655 21.197 6.583 172 HB3 TYR 24 HB1 TYR 24 55.243 22.015 5.117 173 HD1 TYR 24 HD1 TYR 24 55.109 24.462 4.889 174 HD2 TYR 24 HD2 TYR 24 53.724 22.471 8.458 175 HE1 TYR 24 HE1 TYR 24 55.051 26.647 6.085 176 HE2 TYR 24 HE2 TYR 24 53.664 24.655 9.654 177 HH TYR 24 HH TYR 24 54.713 27.666 8.096 178 H LEU 25 HN LEU 25 53.467 21.288 2.706 179 HA LEU 25 HA LEU 25 53.522 24.064 1.831 180 HB2 LEU 25 HB2 LEU 25 53.074 21.650 0.045 181 HB3 LEU 25 HB1 LEU 25 53.881 23.188 -0.344 182 HG LEU 25 HG LEU 25 54.889 21.043 1.578 183 HD11 LEU 25 HD11 LEU 25 56.042 22.082 -1.047 184 HD12 LEU 25 HD12 LEU 25 55.096 20.583 -0.892 185 HD13 LEU 25 HD13 LEU 25 56.664 20.737 -0.065 186 HD21 LEU 25 HD21 LEU 25 56.973 22.579 1.546 187 HD22 LEU 25 HD22 LEU 25 55.583 23.140 2.502 188 HD23 LEU 25 HD23 LEU 25 55.896 23.837 0.894 Start of MODEL 30 1 H1 GLY 1 HT1 GLY 1 59.918 -2.567 -6.745 2 H2 GLY 1 HT2 GLY 1 58.759 -1.616 -5.943 3 H3 GLY 1 HT3 GLY 1 59.161 -3.156 -5.349 4 HA2 GLY 1 HA1 GLY 1 60.345 -1.889 -3.950 5 HA3 GLY 1 HA2 GLY 1 61.525 -2.197 -5.241 6 H TRP 2 HN TRP 2 59.759 -0.416 -7.029 7 HA TRP 2 HA TRP 2 61.291 1.998 -6.594 8 HB2 TRP 2 HB2 TRP 2 58.827 1.496 -8.312 9 HB3 TRP 2 HB1 TRP 2 59.885 2.925 -8.411 10 HD1 TRP 2 HD1 TRP 2 62.396 2.535 -9.275 11 HE1 TRP 2 HE1 TRP 2 63.451 0.705 -10.791 12 HE3 TRP 2 HE3 TRP 2 58.704 -0.997 -8.962 13 HZ2 TRP 2 HZ2 TRP 2 62.756 -1.930 -11.725 14 HZ3 TRP 2 HZ3 TRP 2 58.920 -3.162 -10.174 15 HH2 TRP 2 HH2 TRP 2 60.942 -3.631 -11.553 16 H GLY 3 HN GLY 3 58.209 0.817 -5.464 17 HA2 GLY 3 HA1 GLY 3 56.703 1.740 -3.972 18 HA3 GLY 3 HA2 GLY 3 57.960 2.913 -3.535 19 H SER 4 HN SER 4 56.248 2.308 -6.624 20 HA SER 4 HA SER 4 54.642 4.725 -6.368 21 HB2 SER 4 HB2 SER 4 56.900 4.797 -8.403 22 HB3 SER 4 HB1 SER 4 55.696 6.064 -8.082 23 HG SER 4 HG SER 4 57.876 5.190 -6.517 24 H PHE 5 HN PHE 5 55.492 1.764 -7.710 25 HA PHE 5 HA PHE 5 54.379 1.878 -10.321 26 HB2 PHE 5 HB2 PHE 5 55.664 -0.044 -9.332 27 HB3 PHE 5 HB1 PHE 5 54.220 -0.460 -8.381 28 HD1 PHE 5 HD1 PHE 5 55.742 -0.413 -11.738 29 HD2 PHE 5 HD2 PHE 5 52.142 -1.223 -9.499 30 HE1 PHE 5 HE1 PHE 5 54.798 -1.631 -13.697 31 HE2 PHE 5 HE2 PHE 5 51.197 -2.441 -11.459 32 HZ PHE 5 HZ PHE 5 52.525 -2.643 -13.558 33 H PHE 6 HN PHE 6 52.868 1.651 -7.136 34 HA PHE 6 HA PHE 6 50.270 0.825 -7.982 35 HB2 PHE 6 HB2 PHE 6 50.995 2.671 -5.672 36 HB3 PHE 6 HB1 PHE 6 49.495 1.727 -5.847 37 HD1 PHE 6 HD1 PHE 6 53.098 1.601 -5.060 38 HD2 PHE 6 HD2 PHE 6 49.526 -0.744 -5.677 39 HE1 PHE 6 HE1 PHE 6 54.211 -0.370 -4.017 40 HE2 PHE 6 HE2 PHE 6 50.640 -2.714 -4.634 41 HZ PHE 6 HZ PHE 6 53.006 -2.546 -3.870 42 H LYS 7 HN LYS 7 48.359 2.516 -7.353 43 HA LYS 7 HA LYS 7 48.257 4.309 -9.592 44 HB2 LYS 7 HB2 LYS 7 46.567 4.315 -7.059 45 HB3 LYS 7 HB1 LYS 7 46.152 5.090 -8.606 46 HG2 LYS 7 HG2 LYS 7 46.208 2.877 -9.729 47 HG3 LYS 7 HG1 LYS 7 46.604 2.104 -8.174 48 HD2 LYS 7 HD2 LYS 7 44.476 2.988 -7.216 49 HD3 LYS 7 HD1 LYS 7 44.071 3.685 -8.803 50 HE2 LYS 7 HE2 LYS 7 44.243 1.376 -9.796 51 HE3 LYS 7 HE1 LYS 7 44.471 0.733 -8.152 52 HZ1 LYS 7 HZ1 LYS 7 42.314 0.982 -7.685 53 HZ2 LYS 7 HZ2 LYS 7 42.083 1.107 -9.364 54 HZ3 LYS 7 HZ3 LYS 7 42.213 2.511 -8.416 55 H LYS 8 HN LYS 8 47.226 6.678 -8.786 56 HA LYS 8 HA LYS 8 49.596 8.168 -8.118 57 HB2 LYS 8 HB2 LYS 8 48.051 10.113 -8.014 58 HB3 LYS 8 HB1 LYS 8 47.791 9.127 -9.475 59 HG2 LYS 8 HG2 LYS 8 45.941 7.921 -8.249 60 HG3 LYS 8 HG1 LYS 8 46.136 9.084 -6.916 61 HD2 LYS 8 HD2 LYS 8 45.620 10.952 -8.420 62 HD3 LYS 8 HD1 LYS 8 45.522 9.838 -9.806 63 HE2 LYS 8 HE2 LYS 8 43.610 8.690 -8.812 64 HE3 LYS 8 HE1 LYS 8 43.751 9.666 -7.330 65 HZ1 LYS 8 HZ1 LYS 8 42.260 10.955 -8.383 66 HZ2 LYS 8 HZ2 LYS 8 42.659 10.374 -9.930 67 HZ3 LYS 8 HZ3 LYS 8 43.615 11.572 -9.196 68 H ALA 9 HN ALA 9 50.223 9.227 -6.264 69 HA ALA 9 HA ALA 9 50.508 9.415 -3.969 70 HB1 ALA 9 HB1 ALA 9 47.478 9.300 -3.868 71 HB2 ALA 9 HB2 ALA 9 48.398 10.743 -4.359 72 HB3 ALA 9 HB3 ALA 9 48.576 10.091 -2.713 73 H ALA 10 HN ALA 10 49.360 8.488 -1.738 74 HA ALA 10 HA ALA 10 48.485 5.744 -1.874 75 HB1 ALA 10 HB1 ALA 10 50.562 4.713 -0.928 76 HB2 ALA 10 HB2 ALA 10 51.425 6.228 -1.284 77 HB3 ALA 10 HB3 ALA 10 50.739 5.260 -2.612 78 H HIS 11 HN HIS 11 48.263 8.481 -0.521 79 HA HIS 11 HA HIS 11 49.036 8.420 2.169 80 HB2 HIS 11 HB2 HIS 11 47.022 9.819 2.597 81 HB3 HIS 11 HB1 HIS 11 47.928 10.346 1.158 82 HD1 HIS 11 HD1 HIS 11 46.856 8.021 -0.753 83 HD2 HIS 11 HD2 HIS 11 44.503 10.626 1.564 84 HE1 HIS 11 HE1 HIS 11 44.523 8.070 -1.794 85 H ALA 12 HN ALA 12 48.699 7.068 3.793 86 HA ALA 12 HA ALA 12 46.710 4.925 3.541 87 HB1 ALA 12 HB1 ALA 12 47.599 4.182 5.696 88 HB2 ALA 12 HB2 ALA 12 48.498 5.708 5.871 89 HB3 ALA 12 HB3 ALA 12 48.927 4.562 4.576 90 H GLY 13 HN GLY 13 47.319 7.442 6.043 91 HA2 GLY 13 HA1 GLY 13 44.847 8.635 6.178 92 HA3 GLY 13 HA2 GLY 13 44.598 7.131 7.087 93 H LYS 14 HN LYS 14 47.051 9.754 6.812 94 HA LYS 14 HA LYS 14 46.740 10.488 9.589 95 HB2 LYS 14 HB2 LYS 14 47.876 8.356 9.998 96 HB3 LYS 14 HB1 LYS 14 49.185 8.815 8.884 97 HG2 LYS 14 HG2 LYS 14 49.897 10.616 10.318 98 HG3 LYS 14 HG1 LYS 14 48.439 10.470 11.330 99 HD2 LYS 14 HD2 LYS 14 49.145 8.285 12.137 100 HD3 LYS 14 HD1 LYS 14 50.523 8.268 11.009 101 HE2 LYS 14 HE2 LYS 14 51.451 10.285 12.141 102 HE3 LYS 14 HE1 LYS 14 50.098 10.242 13.296 103 HZ1 LYS 14 HZ1 LYS 14 51.104 7.694 13.308 104 HZ2 LYS 14 HZ2 LYS 14 51.368 8.884 14.491 105 HZ3 LYS 14 HZ3 LYS 14 52.491 8.668 13.234 106 H HIS 15 HN HIS 15 49.863 10.198 7.916 107 HA HIS 15 HA HIS 15 50.416 12.999 8.208 108 HB2 HIS 15 HB2 HIS 15 52.349 12.536 6.725 109 HB3 HIS 15 HB1 HIS 15 52.192 11.319 8.016 110 HD1 HIS 15 HD1 HIS 15 51.668 11.830 4.287 111 HD2 HIS 15 HD2 HIS 15 51.616 8.713 7.109 112 HE1 HIS 15 HE1 HIS 15 51.506 9.632 2.992 113 H ALA 16 HN ALA 16 48.307 11.422 6.099 114 HA ALA 16 HA ALA 16 48.020 13.884 4.494 115 HB1 ALA 16 HB1 ALA 16 49.750 12.761 3.215 116 HB2 ALA 16 HB2 ALA 16 48.208 12.652 2.333 117 HB3 ALA 16 HB3 ALA 16 48.824 11.242 3.228 118 H GLY 17 HN GLY 17 46.292 12.844 6.354 119 HA2 GLY 17 HA1 GLY 17 43.941 12.388 4.689 120 HA3 GLY 17 HA2 GLY 17 44.408 10.954 5.626 121 H LYS 18 HN LYS 18 45.552 13.120 7.610 122 HA LYS 18 HA LYS 18 42.994 14.106 8.776 123 HB2 LYS 18 HB2 LYS 18 44.895 12.284 10.311 124 HB3 LYS 18 HB1 LYS 18 43.436 13.074 10.953 125 HG2 LYS 18 HG2 LYS 18 42.120 11.855 9.129 126 HG3 LYS 18 HG1 LYS 18 43.597 10.913 8.815 127 HD2 LYS 18 HD2 LYS 18 43.622 10.095 11.120 128 HD3 LYS 18 HD1 LYS 18 42.225 11.120 11.530 129 HE2 LYS 18 HE2 LYS 18 41.716 8.651 11.008 130 HE3 LYS 18 HE1 LYS 18 40.757 9.862 10.123 131 HZ1 LYS 18 HZ1 LYS 18 43.239 8.597 9.071 132 HZ2 LYS 18 HZ2 LYS 18 42.170 9.615 8.229 133 HZ3 LYS 18 HZ3 LYS 18 41.670 8.063 8.706 134 H ALA 19 HN ALA 19 46.540 13.781 8.961 135 HA ALA 19 HA ALA 19 46.870 16.017 10.777 136 HB1 ALA 19 HB1 ALA 19 48.836 14.762 8.830 137 HB2 ALA 19 HB2 ALA 19 48.556 14.235 10.507 138 HB3 ALA 19 HB3 ALA 19 49.244 15.843 10.181 139 H ALA 20 HN ALA 20 46.206 15.720 7.410 140 HA ALA 20 HA ALA 20 46.040 18.591 7.099 141 HB1 ALA 20 HB1 ALA 20 47.830 18.988 5.563 142 HB2 ALA 20 HB2 ALA 20 48.250 17.258 5.506 143 HB3 ALA 20 HB3 ALA 20 48.542 18.199 6.990 144 H LEU 21 HN LEU 21 44.881 15.727 6.573 145 HA LEU 21 HA LEU 21 43.441 14.807 5.012 146 HB2 LEU 21 HB2 LEU 21 43.399 17.506 3.622 147 HB3 LEU 21 HB1 LEU 21 42.124 16.268 3.670 148 HG LEU 21 HG LEU 21 43.118 17.962 6.004 149 HD11 LEU 21 HD11 LEU 21 40.427 17.779 4.578 150 HD12 LEU 21 HD12 LEU 21 41.601 19.108 4.416 151 HD13 LEU 21 HD13 LEU 21 40.793 18.817 5.976 152 HD21 LEU 21 HD21 LEU 21 41.126 16.775 7.177 153 HD22 LEU 21 HD22 LEU 21 42.616 15.832 6.961 154 HD23 LEU 21 HD23 LEU 21 41.234 15.571 5.870 155 H THR 22 HN THR 22 45.008 17.205 2.850 156 HA THR 22 HA THR 22 46.460 14.972 1.481 157 HB THR 22 HB THR 22 44.409 15.153 0.177 158 HG1 THR 22 HG1 THR 22 45.609 15.140 -1.530 159 HG21 THR 22 HG21 THR 22 43.621 17.280 -0.729 160 HG22 THR 22 HG22 THR 22 45.009 18.135 -0.012 161 HG23 THR 22 HG23 THR 22 43.764 17.418 1.039 162 H HIS 23 HN HIS 23 47.177 17.249 3.254 163 HA HIS 23 HA HIS 23 48.785 18.917 3.345 164 HB2 HIS 23 HB2 HIS 23 50.155 17.034 2.419 165 HB3 HIS 23 HB1 HIS 23 49.810 17.640 0.781 166 HD1 HIS 23 HD1 HIS 23 51.167 19.045 4.104 167 HD2 HIS 23 HD2 HIS 23 51.635 19.539 -0.045 168 HE1 HIS 23 HE1 HIS 23 53.061 20.720 3.745 169 H TYR 24 HN TYR 24 47.792 20.845 3.066 170 HA TYR 24 HA TYR 24 46.534 21.782 0.724 171 HB2 TYR 24 HB2 TYR 24 48.054 23.392 2.815 172 HB3 TYR 24 HB1 TYR 24 46.868 24.047 1.661 173 HD1 TYR 24 HD1 TYR 24 47.352 21.985 4.693 174 HD2 TYR 24 HD2 TYR 24 44.473 23.522 1.870 175 HE1 TYR 24 HE1 TYR 24 45.502 21.371 6.245 176 HE2 TYR 24 HE2 TYR 24 42.623 22.907 3.422 177 HH TYR 24 HH TYR 24 42.337 22.461 5.909 178 H LEU 25 HN LEU 25 49.761 22.865 1.879 179 HA LEU 25 HA LEU 25 50.978 22.463 -0.725 180 HB2 LEU 25 HB2 LEU 25 49.437 24.620 -0.866 181 HB3 LEU 25 HB1 LEU 25 50.764 25.396 0.022 182 HG LEU 25 HG LEU 25 50.951 23.956 -2.666 183 HD11 LEU 25 HD11 LEU 25 51.469 26.156 -3.550 184 HD12 LEU 25 HD12 LEU 25 51.513 26.857 -1.915 185 HD13 LEU 25 HD13 LEU 25 49.970 26.291 -2.600 186 HD21 LEU 25 HD21 LEU 25 53.081 25.088 -0.803 187 HD22 LEU 25 HD22 LEU 25 53.364 24.893 -2.550 188 HD23 LEU 25 HD23 LEU 25 53.008 23.471 -1.545 Start of MODEL 31 1 H1 GLY 1 HT1 GLY 1 55.311 -8.307 -13.258 2 H2 GLY 1 HT2 GLY 1 55.600 -6.633 -13.265 3 H3 GLY 1 HT3 GLY 1 54.504 -7.305 -12.155 4 HA2 GLY 1 HA1 GLY 1 56.051 -7.750 -10.714 5 HA3 GLY 1 HA2 GLY 1 57.027 -8.543 -11.967 6 H TRP 2 HN TRP 2 58.714 -7.491 -12.908 7 HA TRP 2 HA TRP 2 59.953 -5.380 -11.489 8 HB2 TRP 2 HB2 TRP 2 60.287 -6.190 -14.405 9 HB3 TRP 2 HB1 TRP 2 61.411 -5.158 -13.489 10 HD1 TRP 2 HD1 TRP 2 60.191 -8.760 -13.798 11 HE1 TRP 2 HE1 TRP 2 61.791 -10.345 -12.497 12 HE3 TRP 2 HE3 TRP 2 63.098 -5.244 -11.475 13 HZ2 TRP 2 HZ2 TRP 2 64.023 -10.087 -10.696 14 HZ3 TRP 2 HZ3 TRP 2 64.956 -5.936 -9.971 15 HH2 TRP 2 HH2 TRP 2 65.421 -8.352 -9.579 16 H GLY 3 HN GLY 3 57.254 -5.281 -13.567 17 HA2 GLY 3 HA1 GLY 3 57.695 -2.601 -14.631 18 HA3 GLY 3 HA2 GLY 3 56.193 -3.543 -14.694 19 H SER 4 HN SER 4 56.145 -4.002 -11.785 20 HA SER 4 HA SER 4 54.595 -1.696 -11.058 21 HB2 SER 4 HB2 SER 4 54.365 -2.750 -8.914 22 HB3 SER 4 HB1 SER 4 54.389 -4.050 -10.126 23 HG SER 4 HG SER 4 56.796 -3.961 -9.656 24 H PHE 5 HN PHE 5 55.578 -1.526 -8.279 25 HA PHE 5 HA PHE 5 58.256 -0.307 -8.473 26 HB2 PHE 5 HB2 PHE 5 55.817 1.420 -7.873 27 HB3 PHE 5 HB1 PHE 5 57.518 1.935 -7.772 28 HD1 PHE 5 HD1 PHE 5 58.941 1.974 -9.853 29 HD2 PHE 5 HD2 PHE 5 54.681 1.296 -9.996 30 HE1 PHE 5 HE1 PHE 5 58.937 2.510 -12.287 31 HE2 PHE 5 HE2 PHE 5 54.677 1.831 -12.429 32 HZ PHE 5 HZ PHE 5 56.814 2.384 -13.585 33 H PHE 6 HN PHE 6 59.181 0.125 -6.445 34 HA PHE 6 HA PHE 6 58.244 -1.574 -4.328 35 HB2 PHE 6 HB2 PHE 6 60.624 -0.883 -4.674 36 HB3 PHE 6 HB1 PHE 6 60.188 0.760 -4.146 37 HD1 PHE 6 HD1 PHE 6 59.527 1.212 -1.814 38 HD2 PHE 6 HD2 PHE 6 60.680 -2.746 -3.091 39 HE1 PHE 6 HE1 PHE 6 59.761 0.511 0.566 40 HE2 PHE 6 HE2 PHE 6 60.913 -3.446 -0.712 41 HZ PHE 6 HZ PHE 6 60.356 -1.846 1.115 42 H LYS 7 HN LYS 7 58.161 1.981 -4.786 43 HA LYS 7 HA LYS 7 56.917 2.561 -2.273 44 HB2 LYS 7 HB2 LYS 7 56.807 4.051 -4.925 45 HB3 LYS 7 HB1 LYS 7 56.274 4.711 -3.360 46 HG2 LYS 7 HG2 LYS 7 58.577 4.295 -2.451 47 HG3 LYS 7 HG1 LYS 7 59.088 3.780 -4.078 48 HD2 LYS 7 HD2 LYS 7 58.377 6.012 -4.967 49 HD3 LYS 7 HD1 LYS 7 57.994 6.520 -3.305 50 HE2 LYS 7 HE2 LYS 7 60.225 7.319 -3.823 51 HE3 LYS 7 HE1 LYS 7 60.385 5.970 -2.672 52 HZ1 LYS 7 HZ1 LYS 7 61.288 6.173 -5.390 53 HZ2 LYS 7 HZ2 LYS 7 60.389 4.758 -5.114 54 HZ3 LYS 7 HZ3 LYS 7 61.760 5.094 -4.170 55 H LYS 8 HN LYS 8 54.699 3.483 -2.020 56 HA LYS 8 HA LYS 8 52.619 2.708 -3.876 57 HB2 LYS 8 HB2 LYS 8 53.241 0.454 -2.974 58 HB3 LYS 8 HB1 LYS 8 52.824 1.033 -1.343 59 HG2 LYS 8 HG2 LYS 8 50.521 1.431 -2.002 60 HG3 LYS 8 HG1 LYS 8 50.899 1.082 -3.706 61 HD2 LYS 8 HD2 LYS 8 51.545 -1.245 -3.054 62 HD3 LYS 8 HD1 LYS 8 51.059 -0.885 -1.380 63 HE2 LYS 8 HE2 LYS 8 49.248 -2.043 -2.646 64 HE3 LYS 8 HE1 LYS 8 48.759 -0.413 -2.121 65 HZ1 LYS 8 HZ1 LYS 8 48.614 -1.354 -4.658 66 HZ2 LYS 8 HZ2 LYS 8 50.063 -0.466 -4.694 67 HZ3 LYS 8 HZ3 LYS 8 48.614 0.285 -4.223 68 H ALA 9 HN ALA 9 53.724 3.718 -0.701 69 HA ALA 9 HA ALA 9 51.128 4.588 0.258 70 HB1 ALA 9 HB1 ALA 9 52.388 5.707 2.007 71 HB2 ALA 9 HB2 ALA 9 53.893 5.546 1.072 72 HB3 ALA 9 HB3 ALA 9 53.088 4.097 1.721 73 H ALA 10 HN ALA 10 50.310 6.708 0.449 74 HA ALA 10 HA ALA 10 51.659 8.940 -0.856 75 HB1 ALA 10 HB1 ALA 10 49.210 7.762 -2.215 76 HB2 ALA 10 HB2 ALA 10 50.875 7.684 -2.840 77 HB3 ALA 10 HB3 ALA 10 50.058 9.257 -2.676 78 H HIS 11 HN HIS 11 49.662 10.652 -1.364 79 HA HIS 11 HA HIS 11 48.852 11.547 1.181 80 HB2 HIS 11 HB2 HIS 11 47.340 12.043 -1.410 81 HB3 HIS 11 HB1 HIS 11 47.414 13.095 0.024 82 HD1 HIS 11 HD1 HIS 11 48.648 13.179 -3.210 83 HD2 HIS 11 HD2 HIS 11 50.625 13.286 0.500 84 HE1 HIS 11 HE1 HIS 11 50.921 14.282 -3.590 85 H ALA 12 HN ALA 12 47.794 10.249 2.574 86 HA ALA 12 HA ALA 12 45.635 8.481 1.684 87 HB1 ALA 12 HB1 ALA 12 46.583 9.303 4.451 88 HB2 ALA 12 HB2 ALA 12 47.062 7.842 3.553 89 HB3 ALA 12 HB3 ALA 12 45.383 8.033 4.115 90 H GLY 13 HN GLY 13 45.845 11.428 3.731 91 HA2 GLY 13 HA1 GLY 13 43.035 11.688 4.133 92 HA3 GLY 13 HA2 GLY 13 44.229 12.995 4.261 93 H LYS 14 HN LYS 14 44.959 14.002 2.210 94 HA LYS 14 HA LYS 14 43.313 13.658 -0.164 95 HB2 LYS 14 HB2 LYS 14 41.772 14.905 1.454 96 HB3 LYS 14 HB1 LYS 14 42.912 16.267 1.349 97 HG2 LYS 14 HG2 LYS 14 42.591 16.407 -1.075 98 HG3 LYS 14 HG1 LYS 14 41.552 14.962 -1.051 99 HD2 LYS 14 HD2 LYS 14 39.891 16.119 0.313 100 HD3 LYS 14 HD1 LYS 14 40.952 17.541 0.458 101 HE2 LYS 14 HE2 LYS 14 40.880 17.796 -2.037 102 HE3 LYS 14 HE1 LYS 14 39.718 16.450 -2.109 103 HZ1 LYS 14 HZ1 LYS 14 38.681 18.689 -2.076 104 HZ2 LYS 14 HZ2 LYS 14 39.305 18.929 -0.513 105 HZ3 LYS 14 HZ3 LYS 14 38.176 17.692 -0.800 106 H HIS 15 HN HIS 15 45.874 14.987 1.671 107 HA HIS 15 HA HIS 15 47.280 15.763 -0.796 108 HB2 HIS 15 HB2 HIS 15 46.622 17.830 1.341 109 HB3 HIS 15 HB1 HIS 15 47.801 18.062 0.026 110 HD1 HIS 15 HD1 HIS 15 46.815 17.875 -2.488 111 HD2 HIS 15 HD2 HIS 15 44.006 18.385 0.598 112 HE1 HIS 15 HE1 HIS 15 44.612 18.579 -3.573 113 H ALA 16 HN ALA 16 47.090 15.225 2.644 114 HA ALA 16 HA ALA 16 49.715 14.061 2.736 115 HB1 ALA 16 HB1 ALA 16 50.745 15.754 4.290 116 HB2 ALA 16 HB2 ALA 16 49.428 16.870 3.854 117 HB3 ALA 16 HB3 ALA 16 50.572 16.312 2.610 118 H GLY 17 HN GLY 17 46.837 15.363 4.169 119 HA2 GLY 17 HA1 GLY 17 45.574 14.514 5.929 120 HA3 GLY 17 HA2 GLY 17 46.748 13.196 6.105 121 H LYS 18 HN LYS 18 49.076 14.806 6.506 122 HA LYS 18 HA LYS 18 48.703 15.372 9.360 123 HB2 LYS 18 HB2 LYS 18 51.085 15.601 7.482 124 HB3 LYS 18 HB1 LYS 18 51.157 15.954 9.226 125 HG2 LYS 18 HG2 LYS 18 50.509 13.687 9.784 126 HG3 LYS 18 HG1 LYS 18 50.172 13.309 8.076 127 HD2 LYS 18 HD2 LYS 18 52.561 13.673 7.522 128 HD3 LYS 18 HD1 LYS 18 52.899 14.045 9.230 129 HE2 LYS 18 HE2 LYS 18 52.326 11.810 9.921 130 HE3 LYS 18 HE1 LYS 18 51.652 11.420 8.320 131 HZ1 LYS 18 HZ1 LYS 18 54.495 11.888 9.041 132 HZ2 LYS 18 HZ2 LYS 18 53.948 11.881 7.433 133 HZ3 LYS 18 HZ3 LYS 18 53.799 10.485 8.391 134 H ALA 19 HN ALA 19 48.056 17.108 6.595 135 HA ALA 19 HA ALA 19 47.825 19.598 8.090 136 HB1 ALA 19 HB1 ALA 19 50.285 19.511 7.487 137 HB2 ALA 19 HB2 ALA 19 49.402 20.934 6.884 138 HB3 ALA 19 HB3 ALA 19 49.790 19.591 5.780 139 H ALA 20 HN ALA 20 45.794 18.320 7.047 140 HA ALA 20 HA ALA 20 44.828 20.143 5.007 141 HB1 ALA 20 HB1 ALA 20 45.294 17.255 4.183 142 HB2 ALA 20 HB2 ALA 20 46.203 18.664 3.584 143 HB3 ALA 20 HB3 ALA 20 44.466 18.503 3.222 144 H LEU 21 HN LEU 21 44.144 16.666 5.520 145 HA LEU 21 HA LEU 21 41.320 17.164 5.853 146 HB2 LEU 21 HB2 LEU 21 42.441 15.013 5.044 147 HB3 LEU 21 HB1 LEU 21 42.865 14.703 6.742 148 HG LEU 21 HG LEU 21 40.274 15.103 7.186 149 HD11 LEU 21 HD11 LEU 21 40.338 14.405 4.212 150 HD12 LEU 21 HD12 LEU 21 39.622 15.853 4.957 151 HD13 LEU 21 HD13 LEU 21 38.900 14.256 5.245 152 HD21 LEU 21 HD21 LEU 21 41.341 12.602 5.797 153 HD22 LEU 21 HD22 LEU 21 39.842 12.683 6.755 154 HD23 LEU 21 HD23 LEU 21 41.416 12.952 7.541 155 H THR 22 HN THR 22 40.210 17.801 7.577 156 HA THR 22 HA THR 22 39.816 18.487 9.763 157 HB THR 22 HB THR 22 40.385 16.750 11.533 158 HG1 THR 22 HG1 THR 22 41.042 14.929 9.579 159 HG21 THR 22 HG21 THR 22 38.926 14.959 10.437 160 HG22 THR 22 HG22 THR 22 38.957 15.960 8.965 161 HG23 THR 22 HG23 THR 22 38.241 16.602 10.464 162 H HIS 23 HN HIS 23 42.383 19.303 8.485 163 HA HIS 23 HA HIS 23 43.609 20.413 10.909 164 HB2 HIS 23 HB2 HIS 23 45.087 18.372 9.204 165 HB3 HIS 23 HB1 HIS 23 45.922 19.542 10.253 166 HD1 HIS 23 HD1 HIS 23 45.087 19.502 12.880 167 HD2 HIS 23 HD2 HIS 23 44.255 16.097 10.552 168 HE1 HIS 23 HE1 HIS 23 44.588 17.582 14.491 169 H TYR 24 HN TYR 24 42.459 22.025 9.342 170 HA TYR 24 HA TYR 24 43.791 22.749 6.902 171 HB2 TYR 24 HB2 TYR 24 41.481 23.457 7.527 172 HB3 TYR 24 HB1 TYR 24 42.172 24.516 8.779 173 HD1 TYR 24 HD1 TYR 24 41.695 23.996 5.156 174 HD2 TYR 24 HD2 TYR 24 43.525 26.493 8.163 175 HE1 TYR 24 HE1 TYR 24 42.084 25.767 3.448 176 HE2 TYR 24 HE2 TYR 24 43.914 28.264 6.456 177 HH TYR 24 HH TYR 24 42.799 28.783 3.899 178 H LEU 25 HN LEU 25 43.728 24.613 9.978 179 HA LEU 25 HA LEU 25 45.307 26.080 10.849 180 HB2 LEU 25 HB2 LEU 25 46.982 23.742 9.875 181 HB3 LEU 25 HB1 LEU 25 47.749 25.144 10.657 182 HG LEU 25 HG LEU 25 46.399 24.828 12.668 183 HD11 LEU 25 HD11 LEU 25 44.295 24.066 11.816 184 HD12 LEU 25 HD12 LEU 25 44.934 22.709 12.773 185 HD13 LEU 25 HD13 LEU 25 45.043 22.675 10.995 186 HD21 LEU 25 HD21 LEU 25 47.534 22.165 11.695 187 HD22 LEU 25 HD22 LEU 25 47.277 22.642 13.391 188 HD23 LEU 25 HD23 LEU 25 48.489 23.490 12.402 Start of MODEL 32 1 H1 GLY 1 HT1 GLY 1 62.052 2.322 -10.209 2 H2 GLY 1 HT2 GLY 1 63.125 1.773 -11.406 3 H3 GLY 1 HT3 GLY 1 63.431 1.442 -9.768 4 HA2 GLY 1 HA1 GLY 1 62.058 -0.259 -9.679 5 HA3 GLY 1 HA2 GLY 1 60.880 0.553 -10.729 6 H TRP 2 HN TRP 2 62.830 -2.066 -10.507 7 HA TRP 2 HA TRP 2 64.134 -2.193 -13.043 8 HB2 TRP 2 HB2 TRP 2 64.509 -3.761 -11.124 9 HB3 TRP 2 HB1 TRP 2 62.922 -4.493 -11.460 10 HD1 TRP 2 HD1 TRP 2 62.639 -5.801 -13.784 11 HE1 TRP 2 HE1 TRP 2 64.359 -6.964 -15.351 12 HE3 TRP 2 HE3 TRP 2 66.931 -3.648 -12.011 13 HZ2 TRP 2 HZ2 TRP 2 67.209 -6.940 -15.754 14 HZ3 TRP 2 HZ3 TRP 2 69.139 -4.232 -13.001 15 HH2 TRP 2 HH2 TRP 2 69.282 -5.874 -14.869 16 H GLY 3 HN GLY 3 60.905 -3.352 -11.998 17 HA2 GLY 3 HA1 GLY 3 59.673 -2.720 -14.497 18 HA3 GLY 3 HA2 GLY 3 60.116 -4.439 -14.494 19 H SER 4 HN SER 4 58.767 -2.099 -12.121 20 HA SER 4 HA SER 4 56.280 -3.667 -11.932 21 HB2 SER 4 HB2 SER 4 58.039 -3.429 -9.464 22 HB3 SER 4 HB1 SER 4 56.491 -4.289 -9.617 23 HG SER 4 HG SER 4 57.475 -5.877 -10.657 24 H PHE 5 HN PHE 5 54.920 -2.731 -10.023 25 HA PHE 5 HA PHE 5 55.521 0.087 -9.394 26 HB2 PHE 5 HB2 PHE 5 53.377 0.900 -10.428 27 HB3 PHE 5 HB1 PHE 5 54.606 0.402 -11.614 28 HD1 PHE 5 HD1 PHE 5 54.477 -1.986 -12.572 29 HD2 PHE 5 HD2 PHE 5 51.230 -0.144 -10.405 30 HE1 PHE 5 HE1 PHE 5 52.890 -3.641 -13.542 31 HE2 PHE 5 HE2 PHE 5 49.644 -1.800 -11.377 32 HZ PHE 5 HZ PHE 5 50.478 -3.564 -12.925 33 H PHE 6 HN PHE 6 55.345 -0.443 -7.245 34 HA PHE 6 HA PHE 6 52.992 -1.895 -6.251 35 HB2 PHE 6 HB2 PHE 6 55.196 -0.382 -4.791 36 HB3 PHE 6 HB1 PHE 6 53.980 -1.433 -4.027 37 HD1 PHE 6 HD1 PHE 6 54.055 -3.863 -4.291 38 HD2 PHE 6 HD2 PHE 6 56.965 -1.329 -6.225 39 HE1 PHE 6 HE1 PHE 6 55.470 -5.857 -4.775 40 HE2 PHE 6 HE2 PHE 6 58.379 -3.323 -6.709 41 HZ PHE 6 HZ PHE 6 57.629 -5.586 -5.990 42 H LYS 7 HN LYS 7 51.981 0.162 -7.685 43 HA LYS 7 HA LYS 7 50.600 2.023 -7.543 44 HB2 LYS 7 HB2 LYS 7 50.314 1.084 -4.660 45 HB3 LYS 7 HB1 LYS 7 49.209 2.187 -5.517 46 HG2 LYS 7 HG2 LYS 7 48.730 0.415 -7.183 47 HG3 LYS 7 HG1 LYS 7 49.830 -0.691 -6.323 48 HD2 LYS 7 HD2 LYS 7 48.419 -0.467 -4.277 49 HD3 LYS 7 HD1 LYS 7 47.296 0.574 -5.186 50 HE2 LYS 7 HE2 LYS 7 48.035 -2.257 -6.036 51 HE3 LYS 7 HE1 LYS 7 46.598 -1.862 -5.064 52 HZ1 LYS 7 HZ1 LYS 7 46.768 -0.142 -7.309 53 HZ2 LYS 7 HZ2 LYS 7 45.535 -1.232 -6.887 54 HZ3 LYS 7 HZ3 LYS 7 46.851 -1.756 -7.825 55 H LYS 8 HN LYS 8 50.109 4.092 -6.184 56 HA LYS 8 HA LYS 8 52.641 5.462 -5.888 57 HB2 LYS 8 HB2 LYS 8 49.824 6.302 -5.094 58 HB3 LYS 8 HB1 LYS 8 51.239 7.380 -5.179 59 HG2 LYS 8 HG2 LYS 8 51.494 6.616 -7.622 60 HG3 LYS 8 HG1 LYS 8 49.878 5.890 -7.458 61 HD2 LYS 8 HD2 LYS 8 50.562 8.826 -6.984 62 HD3 LYS 8 HD1 LYS 8 49.744 8.172 -8.421 63 HE2 LYS 8 HE2 LYS 8 48.005 7.196 -6.739 64 HE3 LYS 8 HE1 LYS 8 48.717 8.335 -5.569 65 HZ1 LYS 8 HZ1 LYS 8 48.344 10.093 -7.309 66 HZ2 LYS 8 HZ2 LYS 8 46.937 9.452 -6.602 67 HZ3 LYS 8 HZ3 LYS 8 47.408 8.963 -8.159 68 H ALA 9 HN ALA 9 50.060 5.593 -3.434 69 HA ALA 9 HA ALA 9 51.587 4.264 -1.376 70 HB1 ALA 9 HB1 ALA 9 52.161 6.234 -0.013 71 HB2 ALA 9 HB2 ALA 9 51.591 7.303 -1.319 72 HB3 ALA 9 HB3 ALA 9 53.011 6.261 -1.576 73 H ALA 10 HN ALA 10 50.502 4.241 0.662 74 HA ALA 10 HA ALA 10 47.686 4.158 0.482 75 HB1 ALA 10 HB1 ALA 10 47.751 4.164 2.989 76 HB2 ALA 10 HB2 ALA 10 49.490 4.537 2.896 77 HB3 ALA 10 HB3 ALA 10 48.871 3.000 2.242 78 H HIS 11 HN HIS 11 46.352 5.465 2.296 79 HA HIS 11 HA HIS 11 47.031 8.267 2.565 80 HB2 HIS 11 HB2 HIS 11 45.228 9.160 1.086 81 HB3 HIS 11 HB1 HIS 11 46.531 8.356 0.178 82 HD1 HIS 11 HD1 HIS 11 45.225 5.455 1.328 83 HD2 HIS 11 HD2 HIS 11 43.451 8.392 -1.102 84 HE1 HIS 11 HE1 HIS 11 43.361 4.321 0.001 85 H ALA 12 HN ALA 12 46.389 8.189 4.657 86 HA ALA 12 HA ALA 12 43.541 8.332 5.179 87 HB1 ALA 12 HB1 ALA 12 43.920 5.838 4.947 88 HB2 ALA 12 HB2 ALA 12 43.245 6.363 6.509 89 HB3 ALA 12 HB3 ALA 12 44.969 5.942 6.380 90 H GLY 13 HN GLY 13 43.485 9.940 6.594 91 HA2 GLY 13 HA1 GLY 13 43.956 11.180 8.490 92 HA3 GLY 13 HA2 GLY 13 44.771 9.750 9.154 93 H LYS 14 HN LYS 14 45.554 11.497 6.153 94 HA LYS 14 HA LYS 14 47.760 12.969 7.332 95 HB2 LYS 14 HB2 LYS 14 48.744 10.703 7.432 96 HB3 LYS 14 HB1 LYS 14 48.447 10.497 5.690 97 HG2 LYS 14 HG2 LYS 14 49.966 12.292 5.135 98 HG3 LYS 14 HG1 LYS 14 50.112 12.772 6.843 99 HD2 LYS 14 HD2 LYS 14 51.152 10.580 7.369 100 HD3 LYS 14 HD1 LYS 14 51.021 10.113 5.656 101 HE2 LYS 14 HE2 LYS 14 52.384 12.202 5.101 102 HE3 LYS 14 HE1 LYS 14 52.688 12.364 6.848 103 HZ1 LYS 14 HZ1 LYS 14 54.255 10.823 6.700 104 HZ2 LYS 14 HZ2 LYS 14 54.025 10.739 5.018 105 HZ3 LYS 14 HZ3 LYS 14 53.164 9.700 6.050 106 H HIS 15 HN HIS 15 47.583 11.217 4.219 107 HA HIS 15 HA HIS 15 48.158 13.571 2.686 108 HB2 HIS 15 HB2 HIS 15 48.533 11.207 1.934 109 HB3 HIS 15 HB1 HIS 15 46.770 11.029 1.754 110 HD1 HIS 15 HD1 HIS 15 49.449 13.567 0.628 111 HD2 HIS 15 HD2 HIS 15 45.948 11.716 -0.783 112 HE1 HIS 15 HE1 HIS 15 49.096 14.344 -1.780 113 H ALA 16 HN ALA 16 45.339 12.635 4.312 114 HA ALA 16 HA ALA 16 43.848 14.856 3.158 115 HB1 ALA 16 HB1 ALA 16 43.487 13.203 1.379 116 HB2 ALA 16 HB2 ALA 16 41.977 13.520 2.267 117 HB3 ALA 16 HB3 ALA 16 42.898 12.029 2.578 118 H GLY 17 HN GLY 17 44.631 14.500 5.715 119 HA2 GLY 17 HA1 GLY 17 42.643 13.077 7.292 120 HA3 GLY 17 HA2 GLY 17 43.881 14.195 7.895 121 H LYS 18 HN LYS 18 42.105 15.571 5.360 122 HA LYS 18 HA LYS 18 40.588 17.328 5.348 123 HB2 LYS 18 HB2 LYS 18 39.278 15.998 7.744 124 HB3 LYS 18 HB1 LYS 18 38.515 16.964 6.458 125 HG2 LYS 18 HG2 LYS 18 39.809 14.220 6.136 126 HG3 LYS 18 HG1 LYS 18 38.068 14.580 6.081 127 HD2 LYS 18 HD2 LYS 18 38.657 16.209 4.139 128 HD3 LYS 18 HD1 LYS 18 40.227 15.370 4.089 129 HE2 LYS 18 HE2 LYS 18 38.801 14.262 2.497 130 HE3 LYS 18 HE1 LYS 18 38.926 13.184 3.907 131 HZ1 LYS 18 HZ1 LYS 18 36.670 14.924 3.100 132 HZ2 LYS 18 HZ2 LYS 18 36.828 14.380 4.702 133 HZ3 LYS 18 HZ3 LYS 18 36.662 13.261 3.434 134 H ALA 19 HN ALA 19 42.907 17.075 7.510 135 HA ALA 19 HA ALA 19 42.591 19.774 8.479 136 HB1 ALA 19 HB1 ALA 19 40.964 18.762 9.993 137 HB2 ALA 19 HB2 ALA 19 42.418 19.250 10.897 138 HB3 ALA 19 HB3 ALA 19 42.157 17.537 10.489 139 H ALA 20 HN ALA 20 44.229 16.859 7.975 140 HA ALA 20 HA ALA 20 46.534 17.386 9.689 141 HB1 ALA 20 HB1 ALA 20 46.040 15.113 9.050 142 HB2 ALA 20 HB2 ALA 20 47.586 15.578 8.299 143 HB3 ALA 20 HB3 ALA 20 46.097 15.536 7.323 144 H LEU 21 HN LEU 21 46.619 16.950 6.147 145 HA LEU 21 HA LEU 21 48.836 18.837 5.937 146 HB2 LEU 21 HB2 LEU 21 48.468 16.743 4.516 147 HB3 LEU 21 HB1 LEU 21 47.183 17.644 3.684 148 HG LEU 21 HG LEU 21 49.055 19.506 3.369 149 HD11 LEU 21 HD11 LEU 21 51.321 18.437 3.051 150 HD12 LEU 21 HD12 LEU 21 50.702 16.977 3.855 151 HD13 LEU 21 HD13 LEU 21 50.808 18.511 4.750 152 HD21 LEU 21 HD21 LEU 21 48.020 18.272 1.512 153 HD22 LEU 21 HD22 LEU 21 49.068 16.869 1.830 154 HD23 LEU 21 HD23 LEU 21 49.776 18.396 1.250 155 H THR 22 HN THR 22 45.356 18.848 5.225 156 HA THR 22 HA THR 22 45.148 21.158 3.661 157 HB THR 22 HB THR 22 42.901 21.501 4.760 158 HG1 THR 22 HG1 THR 22 42.988 19.177 6.141 159 HG21 THR 22 HG21 THR 22 43.086 19.975 2.875 160 HG22 THR 22 HG22 THR 22 42.017 19.237 4.092 161 HG23 THR 22 HG23 THR 22 43.701 18.681 3.932 162 H HIS 23 HN HIS 23 45.478 20.904 7.210 163 HA HIS 23 HA HIS 23 45.113 23.674 7.782 164 HB2 HIS 23 HB2 HIS 23 45.185 21.790 9.457 165 HB3 HIS 23 HB1 HIS 23 46.952 21.741 9.246 166 HD1 HIS 23 HD1 HIS 23 47.835 24.582 9.242 167 HD2 HIS 23 HD2 HIS 23 44.776 23.217 11.785 168 HE1 HIS 23 HE1 HIS 23 47.645 26.250 11.168 169 H TYR 24 HN TYR 24 48.275 21.997 8.004 170 HA TYR 24 HA TYR 24 49.808 24.374 7.765 171 HB2 TYR 24 HB2 TYR 24 50.514 21.501 7.048 172 HB3 TYR 24 HB1 TYR 24 51.691 22.830 7.177 173 HD1 TYR 24 HD1 TYR 24 52.221 23.851 9.347 174 HD2 TYR 24 HD2 TYR 24 49.387 20.611 9.037 175 HE1 TYR 24 HE1 TYR 24 52.329 23.520 11.815 176 HE2 TYR 24 HE2 TYR 24 49.495 20.279 11.504 177 HH TYR 24 HH TYR 24 50.570 20.822 13.376 178 H LEU 25 HN LEU 25 51.412 24.806 5.969 179 HA LEU 25 HA LEU 25 49.894 25.217 3.509 180 HB2 LEU 25 HB2 LEU 25 52.883 25.631 3.833 181 HB3 LEU 25 HB1 LEU 25 51.740 26.517 2.794 182 HG LEU 25 HG LEU 25 51.861 26.586 5.842 183 HD11 LEU 25 HD11 LEU 25 53.619 27.901 4.722 184 HD12 LEU 25 HD12 LEU 25 52.408 28.985 5.447 185 HD13 LEU 25 HD13 LEU 25 52.398 28.685 3.692 186 HD21 LEU 25 HD21 LEU 25 49.540 26.760 5.260 187 HD22 LEU 25 HD22 LEU 25 49.894 27.768 3.836 188 HD23 LEU 25 HD23 LEU 25 50.095 28.435 5.474 Start of MODEL 33 1 H1 GLY 1 HT1 GLY 1 64.432 -1.616 -9.205 2 H2 GLY 1 HT2 GLY 1 65.549 -1.372 -10.462 3 H3 GLY 1 HT3 GLY 1 64.810 -2.889 -10.258 4 HA2 GLY 1 HA1 GLY 1 62.772 -1.067 -10.465 5 HA3 GLY 1 HA2 GLY 1 63.956 -0.662 -11.725 6 H TRP 2 HN TRP 2 62.367 -3.524 -10.249 7 HA TRP 2 HA TRP 2 62.663 -5.074 -12.713 8 HB2 TRP 2 HB2 TRP 2 62.588 -6.047 -10.378 9 HB3 TRP 2 HB1 TRP 2 60.858 -5.634 -10.328 10 HD1 TRP 2 HD1 TRP 2 63.333 -7.698 -12.471 11 HE1 TRP 2 HE1 TRP 2 62.067 -9.710 -13.527 12 HE3 TRP 2 HE3 TRP 2 58.600 -6.617 -10.847 13 HZ2 TRP 2 HZ2 TRP 2 59.362 -10.688 -13.634 14 HZ3 TRP 2 HZ3 TRP 2 56.692 -8.103 -11.438 15 HH2 TRP 2 HH2 TRP 2 57.067 -10.135 -12.830 16 H GLY 3 HN GLY 3 60.900 -2.430 -12.201 17 HA2 GLY 3 HA1 GLY 3 58.979 -3.113 -14.279 18 HA3 GLY 3 HA2 GLY 3 58.218 -2.940 -12.684 19 H SER 4 HN SER 4 58.613 -0.904 -11.497 20 HA SER 4 HA SER 4 59.689 1.399 -12.841 21 HB2 SER 4 HB2 SER 4 57.467 2.572 -13.214 22 HB3 SER 4 HB1 SER 4 57.831 1.261 -14.358 23 HG SER 4 HG SER 4 55.663 1.400 -13.159 24 H PHE 5 HN PHE 5 56.576 1.796 -11.326 25 HA PHE 5 HA PHE 5 57.494 1.842 -8.589 26 HB2 PHE 5 HB2 PHE 5 58.710 3.855 -9.541 27 HB3 PHE 5 HB1 PHE 5 57.115 4.582 -9.852 28 HD1 PHE 5 HD1 PHE 5 55.681 5.328 -8.016 29 HD2 PHE 5 HD2 PHE 5 59.495 3.466 -7.235 30 HE1 PHE 5 HE1 PHE 5 55.565 6.085 -5.647 31 HE2 PHE 5 HE2 PHE 5 59.379 4.224 -4.864 32 HZ PHE 5 HZ PHE 5 57.395 5.499 -4.060 33 H PHE 6 HN PHE 6 55.562 0.705 -8.302 34 HA PHE 6 HA PHE 6 53.015 1.812 -9.165 35 HB2 PHE 6 HB2 PHE 6 53.616 -0.305 -7.061 36 HB3 PHE 6 HB1 PHE 6 52.038 0.005 -7.824 37 HD1 PHE 6 HD1 PHE 6 55.481 -1.279 -8.361 38 HD2 PHE 6 HD2 PHE 6 51.595 -0.652 -10.131 39 HE1 PHE 6 HE1 PHE 6 56.106 -2.765 -10.261 40 HE2 PHE 6 HE2 PHE 6 52.219 -2.139 -12.031 41 HZ PHE 6 HZ PHE 6 54.499 -3.142 -12.128 42 H LYS 7 HN LYS 7 51.300 2.566 -7.802 43 HA LYS 7 HA LYS 7 52.176 4.564 -5.927 44 HB2 LYS 7 HB2 LYS 7 49.378 3.398 -6.133 45 HB3 LYS 7 HB1 LYS 7 49.847 5.024 -5.585 46 HG2 LYS 7 HG2 LYS 7 50.241 3.926 -8.408 47 HG3 LYS 7 HG1 LYS 7 48.962 5.056 -7.907 48 HD2 LYS 7 HD2 LYS 7 50.913 6.571 -7.059 49 HD3 LYS 7 HD1 LYS 7 51.962 5.533 -8.055 50 HE2 LYS 7 HE2 LYS 7 50.439 6.012 -10.020 51 HE3 LYS 7 HE1 LYS 7 49.591 7.198 -9.000 52 HZ1 LYS 7 HZ1 LYS 7 52.347 7.656 -8.777 53 HZ2 LYS 7 HZ2 LYS 7 51.167 8.661 -9.474 54 HZ3 LYS 7 HZ3 LYS 7 51.988 7.522 -10.430 55 H LYS 8 HN LYS 8 51.015 4.684 -3.689 56 HA LYS 8 HA LYS 8 50.681 2.156 -2.287 57 HB2 LYS 8 HB2 LYS 8 52.646 2.490 -0.752 58 HB3 LYS 8 HB1 LYS 8 53.101 2.055 -2.416 59 HG2 LYS 8 HG2 LYS 8 53.512 4.434 -2.942 60 HG3 LYS 8 HG1 LYS 8 53.032 4.890 -1.290 61 HD2 LYS 8 HD2 LYS 8 54.873 3.347 -0.442 62 HD3 LYS 8 HD1 LYS 8 55.428 3.210 -2.127 63 HE2 LYS 8 HE2 LYS 8 55.257 5.731 -0.431 64 HE3 LYS 8 HE1 LYS 8 56.719 4.977 -1.110 65 HZ1 LYS 8 HZ1 LYS 8 56.394 6.415 -2.777 66 HZ2 LYS 8 HZ2 LYS 8 54.770 6.705 -2.370 67 HZ3 LYS 8 HZ3 LYS 8 55.186 5.342 -3.296 68 H ALA 9 HN ALA 9 50.616 5.547 -2.608 69 HA ALA 9 HA ALA 9 50.128 6.210 0.182 70 HB1 ALA 9 HB1 ALA 9 49.509 8.393 -0.666 71 HB2 ALA 9 HB2 ALA 9 49.343 7.748 -2.317 72 HB3 ALA 9 HB3 ALA 9 50.946 7.821 -1.544 73 H ALA 10 HN ALA 10 48.572 4.460 0.629 74 HA ALA 10 HA ALA 10 45.961 4.522 -0.636 75 HB1 ALA 10 HB1 ALA 10 45.328 3.084 1.347 76 HB2 ALA 10 HB2 ALA 10 46.993 3.293 1.939 77 HB3 ALA 10 HB3 ALA 10 46.696 2.480 0.384 78 H HIS 11 HN HIS 11 46.162 4.685 2.867 79 HA HIS 11 HA HIS 11 44.181 6.883 2.866 80 HB2 HIS 11 HB2 HIS 11 45.501 5.500 5.230 81 HB3 HIS 11 HB1 HIS 11 43.993 6.443 5.227 82 HD1 HIS 11 HD1 HIS 11 45.443 3.296 3.554 83 HD2 HIS 11 HD2 HIS 11 41.744 4.902 4.746 84 HE1 HIS 11 HE1 HIS 11 43.672 1.494 3.168 85 H ALA 12 HN ALA 12 45.357 8.669 2.097 86 HA ALA 12 HA ALA 12 47.899 9.493 3.049 87 HB1 ALA 12 HB1 ALA 12 46.830 10.491 1.092 88 HB2 ALA 12 HB2 ALA 12 47.219 11.752 2.287 89 HB3 ALA 12 HB3 ALA 12 45.545 11.173 2.117 90 H GLY 13 HN GLY 13 48.386 9.588 5.162 91 HA2 GLY 13 HA1 GLY 13 48.343 10.355 7.343 92 HA3 GLY 13 HA2 GLY 13 47.339 11.703 6.770 93 H LYS 14 HN LYS 14 45.768 11.841 8.269 94 HA LYS 14 HA LYS 14 44.486 9.389 9.313 95 HB2 LYS 14 HB2 LYS 14 43.964 12.354 9.777 96 HB3 LYS 14 HB1 LYS 14 43.100 11.032 10.600 97 HG2 LYS 14 HG2 LYS 14 45.085 10.267 11.692 98 HG3 LYS 14 HG1 LYS 14 46.137 11.231 10.630 99 HD2 LYS 14 HD2 LYS 14 45.911 12.270 12.878 100 HD3 LYS 14 HD1 LYS 14 45.250 13.315 11.600 101 HE2 LYS 14 HE2 LYS 14 43.822 13.034 13.733 102 HE3 LYS 14 HE1 LYS 14 42.997 12.781 12.177 103 HZ1 LYS 14 HZ1 LYS 14 44.256 10.426 13.320 104 HZ2 LYS 14 HZ2 LYS 14 42.734 10.601 12.585 105 HZ3 LYS 14 HZ3 LYS 14 42.950 11.039 14.212 106 H HIS 15 HN HIS 15 43.956 8.893 6.920 107 HA HIS 15 HA HIS 15 42.320 8.664 5.297 108 HB2 HIS 15 HB2 HIS 15 40.984 8.031 7.335 109 HB3 HIS 15 HB1 HIS 15 40.423 9.718 7.432 110 HD1 HIS 15 HD1 HIS 15 38.133 7.962 7.030 111 HD2 HIS 15 HD2 HIS 15 40.544 9.064 3.763 112 HE1 HIS 15 HE1 HIS 15 36.739 7.644 4.912 113 H ALA 16 HN ALA 16 43.734 10.781 4.736 114 HA ALA 16 HA ALA 16 43.726 12.896 3.774 115 HB1 ALA 16 HB1 ALA 16 42.263 11.546 2.220 116 HB2 ALA 16 HB2 ALA 16 41.966 13.301 2.192 117 HB3 ALA 16 HB3 ALA 16 40.852 12.223 3.068 118 H GLY 17 HN GLY 17 43.624 13.387 6.294 119 HA2 GLY 17 HA1 GLY 17 41.203 14.606 7.279 120 HA3 GLY 17 HA2 GLY 17 42.835 14.808 7.949 121 H LYS 18 HN LYS 18 40.420 16.034 5.716 122 HA LYS 18 HA LYS 18 40.179 18.115 4.736 123 HB2 LYS 18 HB2 LYS 18 42.398 19.124 6.550 124 HB3 LYS 18 HB1 LYS 18 41.043 20.038 5.847 125 HG2 LYS 18 HG2 LYS 18 39.472 18.526 7.163 126 HG3 LYS 18 HG1 LYS 18 40.909 17.892 8.002 127 HD2 LYS 18 HD2 LYS 18 41.477 20.129 8.814 128 HD3 LYS 18 HD1 LYS 18 40.132 20.839 7.887 129 HE2 LYS 18 HE2 LYS 18 38.547 19.378 9.201 130 HE3 LYS 18 HE1 LYS 18 39.924 18.876 10.210 131 HZ1 LYS 18 HZ1 LYS 18 39.588 21.744 9.833 132 HZ2 LYS 18 HZ2 LYS 18 40.013 20.867 11.226 133 HZ3 LYS 18 HZ3 LYS 18 38.384 20.980 10.753 134 H ALA 19 HN ALA 19 43.667 18.308 5.538 135 HA ALA 19 HA ALA 19 44.304 18.056 2.613 136 HB1 ALA 19 HB1 ALA 19 45.919 19.929 2.873 137 HB2 ALA 19 HB2 ALA 19 45.286 20.221 4.511 138 HB3 ALA 19 HB3 ALA 19 44.232 20.448 3.095 139 H ALA 20 HN ALA 20 44.494 15.993 4.464 140 HA ALA 20 HA ALA 20 46.016 14.482 5.335 141 HB1 ALA 20 HB1 ALA 20 47.934 15.921 3.467 142 HB2 ALA 20 HB2 ALA 20 46.874 14.561 3.027 143 HB3 ALA 20 HB3 ALA 20 48.191 14.322 4.202 144 H LEU 21 HN LEU 21 46.245 14.895 7.457 145 HA LEU 21 HA LEU 21 47.222 15.681 9.407 146 HB2 LEU 21 HB2 LEU 21 49.621 16.475 7.722 147 HB3 LEU 21 HB1 LEU 21 49.587 15.989 9.434 148 HG LEU 21 HG LEU 21 48.939 14.200 7.047 149 HD11 LEU 21 HD11 LEU 21 51.370 14.817 7.439 150 HD12 LEU 21 HD12 LEU 21 51.018 13.076 7.569 151 HD13 LEU 21 HD13 LEU 21 51.238 14.053 9.041 152 HD21 LEU 21 HD21 LEU 21 47.579 13.427 8.852 153 HD22 LEU 21 HD22 LEU 21 48.838 13.772 10.063 154 HD23 LEU 21 HD23 LEU 21 49.036 12.412 8.932 155 H THR 22 HN THR 22 46.153 17.580 7.029 156 HA THR 22 HA THR 22 45.686 19.844 6.852 157 HB THR 22 HB THR 22 46.313 20.003 9.829 158 HG1 THR 22 HG1 THR 22 44.816 18.280 9.098 159 HG21 THR 22 HG21 THR 22 45.954 22.157 8.700 160 HG22 THR 22 HG22 THR 22 44.563 21.775 9.743 161 HG23 THR 22 HG23 THR 22 44.444 21.548 7.982 162 H HIS 23 HN HIS 23 47.741 19.919 5.598 163 HA HIS 23 HA HIS 23 50.109 21.000 6.944 164 HB2 HIS 23 HB2 HIS 23 49.353 20.662 4.015 165 HB3 HIS 23 HB1 HIS 23 50.925 21.289 4.570 166 HD1 HIS 23 HD1 HIS 23 52.231 19.623 6.351 167 HD2 HIS 23 HD2 HIS 23 49.330 17.907 3.835 168 HE1 HIS 23 HE1 HIS 23 52.617 17.097 6.354 169 H TYR 24 HN TYR 24 49.933 22.977 7.825 170 HA TYR 24 HA TYR 24 48.235 25.053 6.793 171 HB2 TYR 24 HB2 TYR 24 49.652 26.536 8.294 172 HB3 TYR 24 HB1 TYR 24 48.909 25.133 9.099 173 HD1 TYR 24 HD1 TYR 24 52.071 26.567 7.783 174 HD2 TYR 24 HD2 TYR 24 50.258 23.247 9.861 175 HE1 TYR 24 HE1 TYR 24 54.327 25.763 8.467 176 HE2 TYR 24 HE2 TYR 24 52.514 22.442 10.546 177 HH TYR 24 HH TYR 24 54.890 22.670 9.607 178 H LEU 25 HN LEU 25 48.505 26.525 5.234 179 HA LEU 25 HA LEU 25 50.845 26.324 3.505 180 HB2 LEU 25 HB2 LEU 25 48.787 28.552 3.418 181 HB3 LEU 25 HB1 LEU 25 49.702 27.824 2.077 182 HG LEU 25 HG LEU 25 47.491 26.503 3.714 183 HD11 LEU 25 HD11 LEU 25 46.335 26.445 1.512 184 HD12 LEU 25 HD12 LEU 25 47.707 27.310 0.778 185 HD13 LEU 25 HD13 LEU 25 46.707 28.111 2.014 186 HD21 LEU 25 HD21 LEU 25 49.085 24.775 3.217 187 HD22 LEU 25 HD22 LEU 25 49.385 25.419 1.585 188 HD23 LEU 25 HD23 LEU 25 47.828 24.642 1.966 Start of MODEL 34 1 H1 GLY 1 HT1 GLY 1 56.497 -4.747 -12.896 2 H2 GLY 1 HT2 GLY 1 57.028 -5.210 -11.350 3 H3 GLY 1 HT3 GLY 1 58.154 -4.930 -12.592 4 HA2 GLY 1 HA1 GLY 1 57.260 -3.165 -10.710 5 HA3 GLY 1 HA2 GLY 1 58.287 -2.831 -12.118 6 H TRP 2 HN TRP 2 55.189 -2.460 -10.654 7 HA TRP 2 HA TRP 2 54.437 -0.431 -12.578 8 HB2 TRP 2 HB2 TRP 2 53.924 -2.493 -13.906 9 HB3 TRP 2 HB1 TRP 2 52.792 -2.991 -12.627 10 HD1 TRP 2 HD1 TRP 2 53.394 0.052 -14.955 11 HE1 TRP 2 HE1 TRP 2 51.099 1.110 -15.571 12 HE3 TRP 2 HE3 TRP 2 50.345 -2.934 -12.127 13 HZ2 TRP 2 HZ2 TRP 2 48.328 0.691 -14.905 14 HZ3 TRP 2 HZ3 TRP 2 47.880 -2.587 -12.133 15 HH2 TRP 2 HH2 TRP 2 46.869 -0.780 -13.518 16 H GLY 3 HN GLY 3 54.443 0.556 -10.427 17 HA2 GLY 3 HA1 GLY 3 51.771 0.781 -9.403 18 HA3 GLY 3 HA2 GLY 3 52.746 -0.225 -8.312 19 H SER 4 HN SER 4 54.719 1.943 -9.972 20 HA SER 4 HA SER 4 55.867 3.830 -9.270 21 HB2 SER 4 HB2 SER 4 53.341 4.586 -7.766 22 HB3 SER 4 HB1 SER 4 54.589 5.668 -8.423 23 HG SER 4 HG SER 4 53.218 5.693 -10.050 24 H PHE 5 HN PHE 5 55.146 5.251 -6.679 25 HA PHE 5 HA PHE 5 55.802 3.280 -4.591 26 HB2 PHE 5 HB2 PHE 5 57.837 5.370 -5.468 27 HB3 PHE 5 HB1 PHE 5 57.924 4.450 -3.947 28 HD1 PHE 5 HD1 PHE 5 58.435 4.357 -7.574 29 HD2 PHE 5 HD2 PHE 5 58.134 1.942 -4.008 30 HE1 PHE 5 HE1 PHE 5 59.495 2.449 -8.776 31 HE2 PHE 5 HE2 PHE 5 59.194 0.035 -5.211 32 HZ PHE 5 HZ PHE 5 59.905 0.300 -7.584 33 H PHE 6 HN PHE 6 53.652 4.314 -4.122 34 HA PHE 6 HA PHE 6 53.608 7.100 -3.302 35 HB2 PHE 6 HB2 PHE 6 51.746 4.774 -2.679 36 HB3 PHE 6 HB1 PHE 6 51.414 6.476 -2.276 37 HD1 PHE 6 HD1 PHE 6 50.873 8.107 -4.009 38 HD2 PHE 6 HD2 PHE 6 51.823 4.023 -5.033 39 HE1 PHE 6 HE1 PHE 6 50.008 8.484 -6.316 40 HE2 PHE 6 HE2 PHE 6 50.959 4.400 -7.340 41 HZ PHE 6 HZ PHE 6 49.988 6.610 -7.959 42 H LYS 7 HN LYS 7 55.320 4.626 -2.060 43 HA LYS 7 HA LYS 7 54.693 4.749 0.752 44 HB2 LYS 7 HB2 LYS 7 57.281 4.004 -0.671 45 HB3 LYS 7 HB1 LYS 7 56.917 3.689 1.043 46 HG2 LYS 7 HG2 LYS 7 54.899 2.374 0.323 47 HG3 LYS 7 HG1 LYS 7 55.402 2.599 -1.370 48 HD2 LYS 7 HD2 LYS 7 57.546 1.467 -0.898 49 HD3 LYS 7 HD1 LYS 7 57.073 1.262 0.806 50 HE2 LYS 7 HE2 LYS 7 55.534 0.135 -1.574 51 HE3 LYS 7 HE1 LYS 7 56.661 -0.796 -0.558 52 HZ1 LYS 7 HZ1 LYS 7 54.072 0.429 0.202 53 HZ2 LYS 7 HZ2 LYS 7 55.227 0.001 1.372 54 HZ3 LYS 7 HZ3 LYS 7 54.563 -1.187 0.354 55 H LYS 8 HN LYS 8 56.840 6.600 -1.385 56 HA LYS 8 HA LYS 8 58.308 7.946 0.675 57 HB2 LYS 8 HB2 LYS 8 57.563 9.134 -2.021 58 HB3 LYS 8 HB1 LYS 8 59.006 9.463 -1.036 59 HG2 LYS 8 HG2 LYS 8 58.312 6.840 -2.430 60 HG3 LYS 8 HG1 LYS 8 59.611 7.971 -2.875 61 HD2 LYS 8 HD2 LYS 8 60.496 7.595 -0.449 62 HD3 LYS 8 HD1 LYS 8 59.411 6.184 -0.422 63 HE2 LYS 8 HE2 LYS 8 61.577 5.402 -1.149 64 HE3 LYS 8 HE1 LYS 8 60.517 5.413 -2.579 65 HZ1 LYS 8 HZ1 LYS 8 62.921 6.552 -2.522 66 HZ2 LYS 8 HZ2 LYS 8 61.974 7.878 -2.039 67 HZ3 LYS 8 HZ3 LYS 8 61.659 7.097 -3.514 68 H ALA 9 HN ALA 9 55.859 9.501 -1.437 69 HA ALA 9 HA ALA 9 55.375 11.621 0.434 70 HB1 ALA 9 HB1 ALA 9 54.897 11.851 -1.946 71 HB2 ALA 9 HB2 ALA 9 53.410 12.109 -1.001 72 HB3 ALA 9 HB3 ALA 9 53.670 10.566 -1.849 73 H ALA 10 HN ALA 10 54.413 11.521 2.344 74 HA ALA 10 HA ALA 10 53.007 9.251 3.314 75 HB1 ALA 10 HB1 ALA 10 52.411 10.621 5.187 76 HB2 ALA 10 HB2 ALA 10 52.608 12.112 4.236 77 HB3 ALA 10 HB3 ALA 10 54.032 11.130 4.661 78 H HIS 11 HN HIS 11 50.709 9.217 4.060 79 HA HIS 11 HA HIS 11 48.773 10.884 2.682 80 HB2 HIS 11 HB2 HIS 11 47.811 9.169 1.213 81 HB3 HIS 11 HB1 HIS 11 49.508 9.478 0.772 82 HD1 HIS 11 HD1 HIS 11 47.367 6.728 0.986 83 HD2 HIS 11 HD2 HIS 11 51.119 7.493 2.726 84 HE1 HIS 11 HE1 HIS 11 48.412 4.470 1.568 85 H ALA 12 HN ALA 12 49.614 7.959 4.469 86 HA ALA 12 HA ALA 12 48.448 6.779 6.092 87 HB1 ALA 12 HB1 ALA 12 48.641 8.823 7.346 88 HB2 ALA 12 HB2 ALA 12 46.994 8.190 7.590 89 HB3 ALA 12 HB3 ALA 12 47.270 9.550 6.475 90 H GLY 13 HN GLY 13 45.681 8.907 5.795 91 HA2 GLY 13 HA1 GLY 13 43.883 6.731 5.342 92 HA3 GLY 13 HA2 GLY 13 43.502 8.455 5.166 93 H LYS 14 HN LYS 14 44.233 9.520 3.136 94 HA LYS 14 HA LYS 14 44.922 7.913 0.841 95 HB2 LYS 14 HB2 LYS 14 42.772 8.069 -0.374 96 HB3 LYS 14 HB1 LYS 14 42.620 7.076 1.096 97 HG2 LYS 14 HG2 LYS 14 41.796 9.146 2.306 98 HG3 LYS 14 HG1 LYS 14 41.758 9.977 0.732 99 HD2 LYS 14 HD2 LYS 14 40.250 8.154 -0.130 100 HD3 LYS 14 HD1 LYS 14 40.199 7.476 1.516 101 HE2 LYS 14 HE2 LYS 14 39.255 9.582 2.376 102 HE3 LYS 14 HE1 LYS 14 39.355 10.308 0.755 103 HZ1 LYS 14 HZ1 LYS 14 37.293 9.522 0.516 104 HZ2 LYS 14 HZ2 LYS 14 37.423 8.456 1.833 105 HZ3 LYS 14 HZ3 LYS 14 38.015 8.002 0.307 106 H HIS 15 HN HIS 15 43.872 9.338 -1.226 107 HA HIS 15 HA HIS 15 45.456 11.701 -1.218 108 HB2 HIS 15 HB2 HIS 15 44.211 12.281 -3.294 109 HB3 HIS 15 HB1 HIS 15 44.761 10.589 -3.285 110 HD1 HIS 15 HD1 HIS 15 42.787 8.928 -2.022 111 HD2 HIS 15 HD2 HIS 15 41.596 12.356 -4.143 112 HE1 HIS 15 HE1 HIS 15 40.310 8.651 -2.588 113 H ALA 16 HN ALA 16 45.132 13.181 0.364 114 HA ALA 16 HA ALA 16 44.075 14.873 1.539 115 HB1 ALA 16 HB1 ALA 16 43.754 15.667 -0.840 116 HB2 ALA 16 HB2 ALA 16 42.560 16.281 0.329 117 HB3 ALA 16 HB3 ALA 16 42.123 14.959 -0.781 118 H GLY 17 HN GLY 17 43.449 12.506 2.566 119 HA2 GLY 17 HA1 GLY 17 40.533 12.113 2.658 120 HA3 GLY 17 HA2 GLY 17 41.767 11.208 3.558 121 H LYS 18 HN LYS 18 39.684 14.032 3.496 122 HA LYS 18 HA LYS 18 39.022 15.467 5.193 123 HB2 LYS 18 HB2 LYS 18 40.035 13.335 7.110 124 HB3 LYS 18 HB1 LYS 18 38.772 14.554 7.403 125 HG2 LYS 18 HG2 LYS 18 37.396 13.521 5.587 126 HG3 LYS 18 HG1 LYS 18 38.638 12.260 5.397 127 HD2 LYS 18 HD2 LYS 18 38.308 11.532 7.716 128 HD3 LYS 18 HD1 LYS 18 37.140 12.848 7.988 129 HE2 LYS 18 HE2 LYS 18 35.766 11.862 6.069 130 HE3 LYS 18 HE1 LYS 18 36.846 10.448 6.139 131 HZ1 LYS 18 HZ1 LYS 18 35.203 11.511 8.385 132 HZ2 LYS 18 HZ2 LYS 18 36.258 10.182 8.479 133 HZ3 LYS 18 HZ3 LYS 18 34.878 10.107 7.491 134 H ALA 19 HN ALA 19 42.086 14.868 4.427 135 HA ALA 19 HA ALA 19 43.110 17.202 5.753 136 HB1 ALA 19 HB1 ALA 19 43.944 14.511 6.884 137 HB2 ALA 19 HB2 ALA 19 43.190 15.868 7.756 138 HB3 ALA 19 HB3 ALA 19 44.853 16.019 7.137 139 H ALA 20 HN ALA 20 44.694 17.983 4.509 140 HA ALA 20 HA ALA 20 45.480 16.830 2.098 141 HB1 ALA 20 HB1 ALA 20 45.896 19.179 2.782 142 HB2 ALA 20 HB2 ALA 20 47.342 18.400 2.099 143 HB3 ALA 20 HB3 ALA 20 47.193 18.614 3.860 144 H LEU 21 HN LEU 21 45.941 14.641 2.218 145 HA LEU 21 HA LEU 21 47.314 12.793 2.445 146 HB2 LEU 21 HB2 LEU 21 49.584 14.710 3.079 147 HB3 LEU 21 HB1 LEU 21 49.680 13.098 2.336 148 HG LEU 21 HG LEU 21 48.351 15.549 1.094 149 HD11 LEU 21 HD11 LEU 21 50.240 15.575 -0.426 150 HD12 LEU 21 HD12 LEU 21 50.887 14.071 0.275 151 HD13 LEU 21 HD13 LEU 21 50.879 15.569 1.236 152 HD21 LEU 21 HD21 LEU 21 48.667 12.652 0.208 153 HD22 LEU 21 HD22 LEU 21 48.430 13.965 -0.970 154 HD23 LEU 21 HD23 LEU 21 47.188 13.640 0.259 155 H THR 22 HN THR 22 49.022 14.913 4.783 156 HA THR 22 HA THR 22 47.768 13.647 7.079 157 HB THR 22 HB THR 22 50.691 12.921 6.620 158 HG1 THR 22 HG1 THR 22 49.352 10.757 6.552 159 HG21 THR 22 HG21 THR 22 50.216 11.342 8.494 160 HG22 THR 22 HG22 THR 22 48.570 12.009 8.611 161 HG23 THR 22 HG23 THR 22 49.976 13.042 8.967 162 H HIS 23 HN HIS 23 47.626 16.123 7.005 163 HA HIS 23 HA HIS 23 48.285 18.159 7.899 164 HB2 HIS 23 HB2 HIS 23 50.076 16.471 9.687 165 HB3 HIS 23 HB1 HIS 23 49.441 18.099 10.025 166 HD1 HIS 23 HD1 HIS 23 48.866 14.967 11.295 167 HD2 HIS 23 HD2 HIS 23 46.277 17.677 9.385 168 HE1 HIS 23 HE1 HIS 23 46.482 14.353 11.979 169 H TYR 24 HN TYR 24 49.321 18.769 5.917 170 HA TYR 24 HA TYR 24 52.093 19.526 6.336 171 HB2 TYR 24 HB2 TYR 24 52.375 17.127 5.682 172 HB3 TYR 24 HB1 TYR 24 51.553 17.484 4.143 173 HD1 TYR 24 HD1 TYR 24 52.844 18.232 2.299 174 HD2 TYR 24 HD2 TYR 24 54.405 18.683 6.300 175 HE1 TYR 24 HE1 TYR 24 55.000 19.059 1.366 176 HE2 TYR 24 HE2 TYR 24 56.560 19.508 5.363 177 HH TYR 24 HH TYR 24 57.825 19.178 3.223 178 H LEU 25 HN LEU 25 49.425 20.634 5.664 179 HA LEU 25 HA LEU 25 48.493 22.161 4.182 180 HB2 LEU 25 HB2 LEU 25 51.337 22.774 3.312 181 HB3 LEU 25 HB1 LEU 25 49.947 23.880 3.423 182 HG LEU 25 HG LEU 25 51.379 22.533 5.758 183 HD11 LEU 25 HD11 LEU 25 52.138 24.767 6.310 184 HD12 LEU 25 HD12 LEU 25 51.135 25.481 5.025 185 HD13 LEU 25 HD13 LEU 25 52.537 24.471 4.602 186 HD21 LEU 25 HD21 LEU 25 49.846 24.154 7.079 187 HD22 LEU 25 HD22 LEU 25 49.079 22.703 6.396 188 HD23 LEU 25 HD23 LEU 25 48.885 24.277 5.586 Start of MODEL 35 1 H1 GLY 1 HT1 GLY 1 60.104 0.192 -6.956 2 H2 GLY 1 HT2 GLY 1 61.717 -0.342 -6.925 3 H3 GLY 1 HT3 GLY 1 61.323 1.147 -7.645 4 HA2 GLY 1 HA1 GLY 1 60.718 0.635 -4.831 5 HA3 GLY 1 HA2 GLY 1 62.350 1.116 -5.335 6 H TRP 2 HN TRP 2 61.783 2.849 -7.433 7 HA TRP 2 HA TRP 2 61.278 5.273 -6.025 8 HB2 TRP 2 HB2 TRP 2 61.088 4.659 -9.000 9 HB3 TRP 2 HB1 TRP 2 61.119 6.293 -8.294 10 HD1 TRP 2 HD1 TRP 2 63.393 7.191 -7.361 11 HE1 TRP 2 HE1 TRP 2 65.860 6.387 -7.525 12 HE3 TRP 2 HE3 TRP 2 62.583 2.454 -9.127 13 HZ2 TRP 2 HZ2 TRP 2 67.260 4.001 -8.323 14 HZ3 TRP 2 HZ3 TRP 2 64.501 0.931 -9.582 15 HH2 TRP 2 HH2 TRP 2 66.835 1.699 -9.182 16 H GLY 3 HN GLY 3 59.278 4.316 -8.818 17 HA2 GLY 3 HA1 GLY 3 56.817 4.107 -7.365 18 HA3 GLY 3 HA2 GLY 3 57.004 5.767 -7.966 19 H SER 4 HN SER 4 58.114 2.741 -9.489 20 HA SER 4 HA SER 4 57.018 3.512 -12.044 21 HB2 SER 4 HB2 SER 4 58.910 2.044 -12.019 22 HB3 SER 4 HB1 SER 4 58.086 0.889 -10.948 23 HG SER 4 HG SER 4 57.518 -0.003 -12.772 24 H PHE 5 HN PHE 5 56.275 0.380 -10.538 25 HA PHE 5 HA PHE 5 53.558 0.479 -11.623 26 HB2 PHE 5 HB2 PHE 5 54.965 -1.611 -11.430 27 HB3 PHE 5 HB1 PHE 5 54.752 -1.521 -9.665 28 HD1 PHE 5 HD1 PHE 5 53.014 -1.995 -12.921 29 HD2 PHE 5 HD2 PHE 5 52.615 -2.037 -8.623 30 HE1 PHE 5 HE1 PHE 5 50.793 -3.105 -13.137 31 HE2 PHE 5 HE2 PHE 5 50.395 -3.147 -8.840 32 HZ PHE 5 HZ PHE 5 49.463 -3.636 -11.098 33 H PHE 6 HN PHE 6 54.974 0.336 -8.321 34 HA PHE 6 HA PHE 6 52.557 0.501 -6.878 35 HB2 PHE 6 HB2 PHE 6 55.203 1.807 -6.133 36 HB3 PHE 6 HB1 PHE 6 53.900 1.323 -5.021 37 HD1 PHE 6 HD1 PHE 6 56.664 0.145 -7.172 38 HD2 PHE 6 HD2 PHE 6 53.435 -1.059 -4.572 39 HE1 PHE 6 HE1 PHE 6 57.624 -2.150 -7.042 40 HE2 PHE 6 HE2 PHE 6 54.395 -3.355 -4.443 41 HZ PHE 6 HZ PHE 6 56.523 -3.882 -5.629 42 H LYS 7 HN LYS 7 51.615 2.298 -5.691 43 HA LYS 7 HA LYS 7 52.091 5.009 -6.837 44 HB2 LYS 7 HB2 LYS 7 49.354 3.667 -6.870 45 HB3 LYS 7 HB1 LYS 7 49.724 5.333 -7.376 46 HG2 LYS 7 HG2 LYS 7 51.356 4.336 -9.069 47 HG3 LYS 7 HG1 LYS 7 50.666 2.744 -8.673 48 HD2 LYS 7 HD2 LYS 7 48.438 3.485 -9.356 49 HD3 LYS 7 HD1 LYS 7 49.041 5.136 -9.637 50 HE2 LYS 7 HE2 LYS 7 48.847 3.799 -11.750 51 HE3 LYS 7 HE1 LYS 7 50.510 4.345 -11.426 52 HZ1 LYS 7 HZ1 LYS 7 51.199 2.253 -11.271 53 HZ2 LYS 7 HZ2 LYS 7 49.685 1.760 -11.864 54 HZ3 LYS 7 HZ3 LYS 7 49.962 1.830 -10.189 55 H LYS 8 HN LYS 8 49.162 5.360 -5.634 56 HA LYS 8 HA LYS 8 50.033 6.504 -3.164 57 HB2 LYS 8 HB2 LYS 8 47.221 5.560 -3.843 58 HB3 LYS 8 HB1 LYS 8 47.687 6.840 -2.696 59 HG2 LYS 8 HG2 LYS 8 48.691 8.130 -4.587 60 HG3 LYS 8 HG1 LYS 8 48.119 6.877 -5.716 61 HD2 LYS 8 HD2 LYS 8 45.783 7.295 -5.003 62 HD3 LYS 8 HD1 LYS 8 46.352 8.548 -3.873 63 HE2 LYS 8 HE2 LYS 8 46.629 8.571 -6.910 64 HE3 LYS 8 HE1 LYS 8 45.591 9.630 -5.926 65 HZ1 LYS 8 HZ1 LYS 8 47.545 10.838 -6.420 66 HZ2 LYS 8 HZ2 LYS 8 48.561 9.544 -5.993 67 HZ3 LYS 8 HZ3 LYS 8 47.686 10.372 -4.795 68 H ALA 9 HN ALA 9 47.644 5.320 -1.661 69 HA ALA 9 HA ALA 9 48.396 2.550 -1.130 70 HB1 ALA 9 HB1 ALA 9 49.255 2.862 1.122 71 HB2 ALA 9 HB2 ALA 9 49.062 4.627 0.986 72 HB3 ALA 9 HB3 ALA 9 50.261 3.781 -0.022 73 H ALA 10 HN ALA 10 45.998 3.782 -1.859 74 HA ALA 10 HA ALA 10 43.782 3.992 -1.195 75 HB1 ALA 10 HB1 ALA 10 44.158 1.586 -0.774 76 HB2 ALA 10 HB2 ALA 10 42.988 2.285 0.372 77 HB3 ALA 10 HB3 ALA 10 44.660 1.965 0.890 78 H HIS 11 HN HIS 11 43.581 6.079 -0.491 79 HA HIS 11 HA HIS 11 44.591 7.169 1.901 80 HB2 HIS 11 HB2 HIS 11 42.717 8.819 1.701 81 HB3 HIS 11 HB1 HIS 11 43.594 8.564 0.174 82 HD1 HIS 11 HD1 HIS 11 40.236 8.392 1.702 83 HD2 HIS 11 HD2 HIS 11 42.156 6.735 -1.655 84 HE1 HIS 11 HE1 HIS 11 38.416 7.484 0.156 85 H ALA 12 HN ALA 12 43.364 7.851 3.850 86 HA ALA 12 HA ALA 12 40.992 6.397 4.635 87 HB1 ALA 12 HB1 ALA 12 43.659 5.411 5.701 88 HB2 ALA 12 HB2 ALA 12 42.471 4.483 4.755 89 HB3 ALA 12 HB3 ALA 12 42.078 5.008 6.411 90 H GLY 13 HN GLY 13 44.034 7.369 6.290 91 HA2 GLY 13 HA1 GLY 13 42.933 9.832 7.281 92 HA3 GLY 13 HA2 GLY 13 42.788 8.565 8.513 93 H LYS 14 HN LYS 14 45.218 9.799 6.162 94 HA LYS 14 HA LYS 14 47.102 10.461 8.240 95 HB2 LYS 14 HB2 LYS 14 47.306 8.027 8.484 96 HB3 LYS 14 HB1 LYS 14 47.614 7.859 6.741 97 HG2 LYS 14 HG2 LYS 14 49.698 9.064 6.907 98 HG3 LYS 14 HG1 LYS 14 49.345 9.562 8.580 99 HD2 LYS 14 HD2 LYS 14 49.504 7.262 9.361 100 HD3 LYS 14 HD1 LYS 14 49.666 6.664 7.691 101 HE2 LYS 14 HE2 LYS 14 51.882 6.756 8.722 102 HE3 LYS 14 HE1 LYS 14 51.773 8.009 7.464 103 HZ1 LYS 14 HZ1 LYS 14 51.601 8.342 10.406 104 HZ2 LYS 14 HZ2 LYS 14 51.068 9.544 9.330 105 HZ3 LYS 14 HZ3 LYS 14 52.697 9.059 9.329 106 H HIS 15 HN HIS 15 47.914 8.786 5.210 107 HA HIS 15 HA HIS 15 49.536 10.981 4.299 108 HB2 HIS 15 HB2 HIS 15 49.814 8.555 3.666 109 HB3 HIS 15 HB1 HIS 15 48.372 8.718 2.635 110 HD1 HIS 15 HD1 HIS 15 48.707 9.643 0.323 111 HD2 HIS 15 HD2 HIS 15 52.009 10.342 2.831 112 HE1 HIS 15 HE1 HIS 15 50.539 10.706 -1.107 113 H ALA 16 HN ALA 16 46.228 10.783 4.518 114 HA ALA 16 HA ALA 16 45.872 13.088 2.783 115 HB1 ALA 16 HB1 ALA 16 45.889 11.446 1.014 116 HB2 ALA 16 HB2 ALA 16 44.211 11.986 1.263 117 HB3 ALA 16 HB3 ALA 16 44.745 10.412 1.900 118 H GLY 17 HN GLY 17 45.418 13.003 5.396 119 HA2 GLY 17 HA1 GLY 17 42.459 13.230 5.531 120 HA3 GLY 17 HA2 GLY 17 43.229 12.091 6.654 121 H LYS 18 HN LYS 18 45.662 13.667 6.978 122 HA LYS 18 HA LYS 18 44.952 16.310 7.909 123 HB2 LYS 18 HB2 LYS 18 45.247 15.847 10.359 124 HB3 LYS 18 HB1 LYS 18 43.761 15.147 9.674 125 HG2 LYS 18 HG2 LYS 18 44.981 12.963 9.394 126 HG3 LYS 18 HG1 LYS 18 46.377 13.682 10.234 127 HD2 LYS 18 HD2 LYS 18 44.987 14.104 12.225 128 HD3 LYS 18 HD1 LYS 18 43.565 13.434 11.390 129 HE2 LYS 18 HE2 LYS 18 44.756 11.256 11.153 130 HE3 LYS 18 HE1 LYS 18 46.137 11.931 12.052 131 HZ1 LYS 18 HZ1 LYS 18 44.069 10.646 13.184 132 HZ2 LYS 18 HZ2 LYS 18 43.557 12.259 13.334 133 HZ3 LYS 18 HZ3 LYS 18 45.047 11.774 13.990 134 H ALA 19 HN ALA 19 47.067 13.467 8.151 135 HA ALA 19 HA ALA 19 49.399 15.104 8.915 136 HB1 ALA 19 HB1 ALA 19 50.602 13.030 8.914 137 HB2 ALA 19 HB2 ALA 19 49.331 12.224 7.963 138 HB3 ALA 19 HB3 ALA 19 49.010 12.715 9.643 139 H ALA 20 HN ALA 20 47.926 15.695 6.385 140 HA ALA 20 HA ALA 20 50.294 15.969 4.696 141 HB1 ALA 20 HB1 ALA 20 48.026 14.268 3.619 142 HB2 ALA 20 HB2 ALA 20 49.543 13.595 4.263 143 HB3 ALA 20 HB3 ALA 20 49.573 14.648 2.828 144 H LEU 21 HN LEU 21 46.708 15.950 4.778 145 HA LEU 21 HA LEU 21 46.417 17.987 2.761 146 HB2 LEU 21 HB2 LEU 21 44.476 17.443 5.036 147 HB3 LEU 21 HB1 LEU 21 44.116 18.058 3.405 148 HG LEU 21 HG LEU 21 45.170 15.275 4.084 149 HD11 LEU 21 HD11 LEU 21 42.478 16.219 2.998 150 HD12 LEU 21 HD12 LEU 21 42.781 15.667 4.663 151 HD13 LEU 21 HD13 LEU 21 42.950 14.530 3.304 152 HD21 LEU 21 HD21 LEU 21 44.575 14.934 1.571 153 HD22 LEU 21 HD22 LEU 21 46.072 15.814 1.942 154 HD23 LEU 21 HD23 LEU 21 44.611 16.709 1.454 155 H THR 22 HN THR 22 46.684 18.062 6.312 156 HA THR 22 HA THR 22 46.039 20.769 6.753 157 HB THR 22 HB THR 22 48.231 19.155 8.133 158 HG1 THR 22 HG1 THR 22 46.315 18.090 8.341 159 HG21 THR 22 HG21 THR 22 46.715 21.689 8.863 160 HG22 THR 22 HG22 THR 22 48.476 21.478 8.703 161 HG23 THR 22 HG23 THR 22 47.605 20.714 10.056 162 H HIS 23 HN HIS 23 49.308 19.370 6.208 163 HA HIS 23 HA HIS 23 50.657 21.873 6.055 164 HB2 HIS 23 HB2 HIS 23 51.701 19.572 6.284 165 HB3 HIS 23 HB1 HIS 23 51.398 19.337 4.546 166 HD1 HIS 23 HD1 HIS 23 52.226 21.797 3.175 167 HD2 HIS 23 HD2 HIS 23 54.322 20.378 6.533 168 HE1 HIS 23 HE1 HIS 23 54.555 22.848 3.120 169 H TYR 24 HN TYR 24 51.248 23.211 4.366 170 HA TYR 24 HA TYR 24 49.345 23.501 2.248 171 HB2 TYR 24 HB2 TYR 24 52.192 24.574 2.377 172 HB3 TYR 24 HB1 TYR 24 50.861 25.204 1.376 173 HD1 TYR 24 HD1 TYR 24 48.786 26.134 2.512 174 HD2 TYR 24 HD2 TYR 24 52.401 25.208 4.684 175 HE1 TYR 24 HE1 TYR 24 48.012 27.553 4.408 176 HE2 TYR 24 HE2 TYR 24 51.626 26.629 6.579 177 HH TYR 24 HH TYR 24 49.619 28.963 6.302 178 H LEU 25 HN LEU 25 50.277 23.781 -0.124 179 HA LEU 25 HA LEU 25 50.813 22.563 -2.031 180 HB2 LEU 25 HB2 LEU 25 53.138 21.474 -0.403 181 HB3 LEU 25 HB1 LEU 25 53.059 21.749 -2.158 182 HG LEU 25 HG LEU 25 52.936 23.930 -0.024 183 HD11 LEU 25 HD11 LEU 25 55.193 24.520 -0.860 184 HD12 LEU 25 HD12 LEU 25 55.150 23.124 -1.964 185 HD13 LEU 25 HD13 LEU 25 55.164 22.866 -0.202 186 HD21 LEU 25 HD21 LEU 25 52.847 23.944 -3.071 187 HD22 LEU 25 HD22 LEU 25 53.367 25.371 -2.144 188 HD23 LEU 25 HD23 LEU 25 51.726 24.722 -1.928 Start of MODEL 36 1 H1 GLY 1 HT1 GLY 1 58.633 6.015 -0.638 2 H2 GLY 1 HT2 GLY 1 59.849 5.038 -1.315 3 H3 GLY 1 HT3 GLY 1 58.479 5.453 -2.231 4 HA2 GLY 1 HA1 GLY 1 60.217 7.531 -1.143 5 HA3 GLY 1 HA2 GLY 1 60.671 6.665 -2.623 6 H TRP 2 HN TRP 2 60.514 8.628 -3.802 7 HA TRP 2 HA TRP 2 58.085 10.174 -3.889 8 HB2 TRP 2 HB2 TRP 2 59.062 11.073 -6.023 9 HB3 TRP 2 HB1 TRP 2 60.179 11.138 -4.640 10 HD1 TRP 2 HD1 TRP 2 62.198 9.401 -4.601 11 HE1 TRP 2 HE1 TRP 2 63.377 8.030 -6.470 12 HE3 TRP 2 HE3 TRP 2 58.661 9.834 -8.276 13 HZ2 TRP 2 HZ2 TRP 2 62.830 7.245 -9.185 14 HZ3 TRP 2 HZ3 TRP 2 59.010 8.767 -10.498 15 HH2 TRP 2 HH2 TRP 2 61.089 7.473 -10.955 16 H GLY 3 HN GLY 3 59.360 7.478 -5.856 17 HA2 GLY 3 HA1 GLY 3 57.375 7.491 -7.869 18 HA3 GLY 3 HA2 GLY 3 58.281 6.064 -7.330 19 H SER 4 HN SER 4 57.505 5.252 -5.061 20 HA SER 4 HA SER 4 55.782 4.109 -4.003 21 HB2 SER 4 HB2 SER 4 53.941 5.455 -3.234 22 HB3 SER 4 HB1 SER 4 55.375 6.504 -3.283 23 HG SER 4 HG SER 4 53.288 6.300 -5.213 24 H PHE 5 HN PHE 5 52.869 4.777 -4.583 25 HA PHE 5 HA PHE 5 52.492 3.854 -7.358 26 HB2 PHE 5 HB2 PHE 5 51.677 2.065 -5.031 27 HB3 PHE 5 HB1 PHE 5 51.340 1.777 -6.755 28 HD1 PHE 5 HD1 PHE 5 53.894 1.692 -4.103 29 HD2 PHE 5 HD2 PHE 5 53.188 1.265 -8.339 30 HE1 PHE 5 HE1 PHE 5 56.116 0.598 -4.363 31 HE2 PHE 5 HE2 PHE 5 55.411 0.171 -8.599 32 HZ PHE 5 HZ PHE 5 56.902 -0.102 -6.621 33 H PHE 6 HN PHE 6 49.926 2.944 -7.241 34 HA PHE 6 HA PHE 6 48.450 5.388 -6.924 35 HB2 PHE 6 HB2 PHE 6 47.431 2.525 -7.119 36 HB3 PHE 6 HB1 PHE 6 46.472 3.999 -7.391 37 HD1 PHE 6 HD1 PHE 6 49.096 1.782 -8.747 38 HD2 PHE 6 HD2 PHE 6 46.870 5.428 -9.363 39 HE1 PHE 6 HE1 PHE 6 49.861 1.848 -11.118 40 HE2 PHE 6 HE2 PHE 6 47.636 5.494 -11.734 41 HZ PHE 6 HZ PHE 6 49.179 3.736 -12.593 42 H LYS 7 HN LYS 7 46.634 5.802 -5.512 43 HA LYS 7 HA LYS 7 47.288 5.405 -2.753 44 HB2 LYS 7 HB2 LYS 7 44.585 6.117 -3.958 45 HB3 LYS 7 HB1 LYS 7 45.124 6.432 -2.290 46 HG2 LYS 7 HG2 LYS 7 47.065 7.772 -3.327 47 HG3 LYS 7 HG1 LYS 7 46.178 7.667 -4.867 48 HD2 LYS 7 HD2 LYS 7 45.038 8.805 -2.274 49 HD3 LYS 7 HD1 LYS 7 45.688 9.781 -3.611 50 HE2 LYS 7 HE2 LYS 7 43.986 8.527 -5.117 51 HE3 LYS 7 HE1 LYS 7 43.219 8.009 -3.597 52 HZ1 LYS 7 HZ1 LYS 7 43.306 10.488 -3.009 53 HZ2 LYS 7 HZ2 LYS 7 42.135 9.971 -4.128 54 HZ3 LYS 7 HZ3 LYS 7 43.548 10.746 -4.668 55 H LYS 8 HN LYS 8 46.054 3.248 -5.007 56 HA LYS 8 HA LYS 8 44.103 1.835 -3.440 57 HB2 LYS 8 HB2 LYS 8 44.552 1.647 -5.953 58 HB3 LYS 8 HB1 LYS 8 45.943 0.620 -5.533 59 HG2 LYS 8 HG2 LYS 8 44.402 -0.893 -4.265 60 HG3 LYS 8 HG1 LYS 8 43.028 0.106 -4.796 61 HD2 LYS 8 HD2 LYS 8 43.451 -0.418 -7.121 62 HD3 LYS 8 HD1 LYS 8 44.986 -1.224 -6.714 63 HE2 LYS 8 HE2 LYS 8 43.262 -2.922 -7.074 64 HE3 LYS 8 HE1 LYS 8 43.697 -2.890 -5.349 65 HZ1 LYS 8 HZ1 LYS 8 41.491 -2.713 -5.071 66 HZ2 LYS 8 HZ2 LYS 8 41.211 -2.157 -6.652 67 HZ3 LYS 8 HZ3 LYS 8 41.726 -1.076 -5.448 68 H ALA 9 HN ALA 9 47.558 2.035 -3.301 69 HA ALA 9 HA ALA 9 48.410 -0.422 -2.352 70 HB1 ALA 9 HB1 ALA 9 49.870 1.530 -2.614 71 HB2 ALA 9 HB2 ALA 9 50.059 0.812 -0.996 72 HB3 ALA 9 HB3 ALA 9 49.108 2.302 -1.205 73 H ALA 10 HN ALA 10 47.677 2.161 0.021 74 HA ALA 10 HA ALA 10 45.787 0.510 1.489 75 HB1 ALA 10 HB1 ALA 10 47.786 -0.710 2.129 76 HB2 ALA 10 HB2 ALA 10 47.208 0.238 3.521 77 HB3 ALA 10 HB3 ALA 10 48.608 0.802 2.577 78 H HIS 11 HN HIS 11 47.381 3.362 0.709 79 HA HIS 11 HA HIS 11 47.141 4.985 2.997 80 HB2 HIS 11 HB2 HIS 11 46.589 5.729 0.096 81 HB3 HIS 11 HB1 HIS 11 46.924 6.875 1.417 82 HD1 HIS 11 HD1 HIS 11 48.961 7.243 -0.594 83 HD2 HIS 11 HD2 HIS 11 49.248 4.050 2.129 84 HE1 HIS 11 HE1 HIS 11 51.401 6.485 -0.563 85 H ALA 12 HN ALA 12 45.427 5.000 4.316 86 HA ALA 12 HA ALA 12 42.714 4.637 3.342 87 HB1 ALA 12 HB1 ALA 12 43.720 5.665 6.019 88 HB2 ALA 12 HB2 ALA 12 43.439 3.957 5.602 89 HB3 ALA 12 HB3 ALA 12 42.072 5.094 5.664 90 H GLY 13 HN GLY 13 44.702 7.118 2.779 91 HA2 GLY 13 HA1 GLY 13 44.247 9.258 2.005 92 HA3 GLY 13 HA2 GLY 13 42.518 8.954 2.258 93 H LYS 14 HN LYS 14 45.497 9.354 4.239 94 HA LYS 14 HA LYS 14 44.460 11.697 5.568 95 HB2 LYS 14 HB2 LYS 14 43.003 9.876 6.582 96 HB3 LYS 14 HB1 LYS 14 44.486 9.188 7.284 97 HG2 LYS 14 HG2 LYS 14 44.944 11.376 8.401 98 HG3 LYS 14 HG1 LYS 14 43.410 12.004 7.751 99 HD2 LYS 14 HD2 LYS 14 42.220 10.099 8.912 100 HD3 LYS 14 HD1 LYS 14 43.768 9.672 9.680 101 HE2 LYS 14 HE2 LYS 14 43.900 11.926 10.690 102 HE3 LYS 14 HE1 LYS 14 42.362 12.369 9.912 103 HZ1 LYS 14 HZ1 LYS 14 41.311 10.519 11.123 104 HZ2 LYS 14 HZ2 LYS 14 41.967 11.685 12.171 105 HZ3 LYS 14 HZ3 LYS 14 42.775 10.210 11.922 106 H HIS 15 HN HIS 15 46.261 8.844 6.791 107 HA HIS 15 HA HIS 15 48.368 10.413 7.914 108 HB2 HIS 15 HB2 HIS 15 48.409 7.512 6.993 109 HB3 HIS 15 HB1 HIS 15 49.583 8.275 8.093 110 HD1 HIS 15 HD1 HIS 15 47.982 5.908 9.171 111 HD2 HIS 15 HD2 HIS 15 46.593 9.870 9.399 112 HE1 HIS 15 HE1 HIS 15 46.312 6.020 11.101 113 H ALA 16 HN ALA 16 47.674 9.553 4.654 114 HA ALA 16 HA ALA 16 50.029 10.990 3.723 115 HB1 ALA 16 HB1 ALA 16 49.902 7.991 3.253 116 HB2 ALA 16 HB2 ALA 16 51.097 8.844 4.258 117 HB3 ALA 16 HB3 ALA 16 51.058 9.113 2.499 118 H GLY 17 HN GLY 17 47.559 11.725 3.232 119 HA2 GLY 17 HA1 GLY 17 47.347 11.426 0.351 120 HA3 GLY 17 HA2 GLY 17 46.052 10.563 1.203 121 H LYS 18 HN LYS 18 46.999 13.103 3.133 122 HA LYS 18 HA LYS 18 45.577 15.265 1.794 123 HB2 LYS 18 HB2 LYS 18 43.707 13.713 2.565 124 HB3 LYS 18 HB1 LYS 18 44.209 14.071 4.234 125 HG2 LYS 18 HG2 LYS 18 43.956 16.542 3.676 126 HG3 LYS 18 HG1 LYS 18 43.212 16.046 2.138 127 HD2 LYS 18 HD2 LYS 18 42.218 15.212 4.901 128 HD3 LYS 18 HD1 LYS 18 41.520 16.526 3.929 129 HE2 LYS 18 HE2 LYS 18 41.266 14.713 2.056 130 HE3 LYS 18 HE1 LYS 18 41.498 13.542 3.378 131 HZ1 LYS 18 HZ1 LYS 18 39.593 14.286 4.461 132 HZ2 LYS 18 HZ2 LYS 18 39.132 14.277 2.824 133 HZ3 LYS 18 HZ3 LYS 18 39.526 15.742 3.592 134 H ALA 19 HN ALA 19 46.229 13.975 5.094 135 HA ALA 19 HA ALA 19 46.974 16.636 6.066 136 HB1 ALA 19 HB1 ALA 19 47.296 13.878 7.302 137 HB2 ALA 19 HB2 ALA 19 45.924 14.987 7.544 138 HB3 ALA 19 HB3 ALA 19 47.542 15.427 8.142 139 H ALA 20 HN ALA 20 48.471 15.448 3.754 140 HA ALA 20 HA ALA 20 51.117 16.240 4.645 141 HB1 ALA 20 HB1 ALA 20 50.604 13.301 4.080 142 HB2 ALA 20 HB2 ALA 20 51.189 14.018 5.600 143 HB3 ALA 20 HB3 ALA 20 52.218 14.047 4.147 144 H LEU 21 HN LEU 21 49.245 14.345 2.251 145 HA LEU 21 HA LEU 21 51.011 14.887 0.052 146 HB2 LEU 21 HB2 LEU 21 49.020 13.169 0.336 147 HB3 LEU 21 HB1 LEU 21 48.024 14.491 -0.310 148 HG LEU 21 HG LEU 21 50.477 13.254 -1.647 149 HD11 LEU 21 HD11 LEU 21 48.814 12.489 -3.325 150 HD12 LEU 21 HD12 LEU 21 47.507 13.196 -2.345 151 HD13 LEU 21 HD13 LEU 21 48.458 11.831 -1.711 152 HD21 LEU 21 HD21 LEU 21 49.585 14.720 -3.612 153 HD22 LEU 21 HD22 LEU 21 50.483 15.539 -2.316 154 HD23 LEU 21 HD23 LEU 21 48.705 15.626 -2.358 155 H THR 22 HN THR 22 47.727 16.244 0.652 156 HA THR 22 HA THR 22 47.924 18.337 -1.237 157 HB THR 22 HB THR 22 46.442 18.459 1.428 158 HG1 THR 22 HG1 THR 22 46.183 16.673 -0.372 159 HG21 THR 22 HG21 THR 22 46.502 20.614 0.321 160 HG22 THR 22 HG22 THR 22 44.891 19.906 0.052 161 HG23 THR 22 HG23 THR 22 46.107 19.873 -1.247 162 H HIS 23 HN HIS 23 47.974 18.954 2.291 163 HA HIS 23 HA HIS 23 49.722 21.312 1.813 164 HB2 HIS 23 HB2 HIS 23 47.688 21.365 3.326 165 HB3 HIS 23 HB1 HIS 23 48.563 20.279 4.431 166 HD1 HIS 23 HD1 HIS 23 49.265 21.739 6.348 167 HD2 HIS 23 HD2 HIS 23 49.936 23.575 2.626 168 HE1 HIS 23 HE1 HIS 23 50.542 23.908 6.787 169 H TYR 24 HN TYR 24 51.678 21.672 2.989 170 HA TYR 24 HA TYR 24 52.890 19.535 4.538 171 HB2 TYR 24 HB2 TYR 24 53.061 18.665 2.146 172 HB3 TYR 24 HB1 TYR 24 54.137 20.043 1.811 173 HD1 TYR 24 HD1 TYR 24 56.339 20.235 2.944 174 HD2 TYR 24 HD2 TYR 24 53.782 16.809 3.549 175 HE1 TYR 24 HE1 TYR 24 58.253 18.979 3.925 176 HE2 TYR 24 HE2 TYR 24 55.698 15.554 4.530 177 HH TYR 24 HH TYR 24 57.894 15.579 4.963 178 H LEU 25 HN LEU 25 52.703 22.663 3.217 179 HA LEU 25 HA LEU 25 55.383 23.576 3.838 180 HB2 LEU 25 HB2 LEU 25 52.880 25.296 3.793 181 HB3 LEU 25 HB1 LEU 25 54.552 25.764 3.402 182 HG LEU 25 HG LEU 25 52.807 23.830 1.813 183 HD11 LEU 25 HD11 LEU 25 52.879 25.586 0.088 184 HD12 LEU 25 HD12 LEU 25 53.885 26.606 1.146 185 HD13 LEU 25 HD13 LEU 25 52.203 26.239 1.600 186 HD21 LEU 25 HD21 LEU 25 55.057 23.057 1.569 187 HD22 LEU 25 HD22 LEU 25 55.712 24.713 1.546 188 HD23 LEU 25 HD23 LEU 25 54.787 24.099 0.154 Start of MODEL 37 1 H1 GLY 1 HT1 GLY 1 63.148 -1.144 -6.291 2 H2 GLY 1 HT2 GLY 1 63.551 -2.795 -6.342 3 H3 GLY 1 HT3 GLY 1 63.012 -2.090 -4.891 4 HA2 GLY 1 HA1 GLY 1 61.522 -2.825 -7.288 5 HA3 GLY 1 HA2 GLY 1 61.164 -3.164 -5.584 6 H TRP 2 HN TRP 2 61.168 -0.707 -8.128 7 HA TRP 2 HA TRP 2 58.778 0.515 -7.006 8 HB2 TRP 2 HB2 TRP 2 59.841 2.792 -6.698 9 HB3 TRP 2 HB1 TRP 2 60.297 1.585 -5.472 10 HD1 TRP 2 HD1 TRP 2 61.650 3.177 -8.722 11 HE1 TRP 2 HE1 TRP 2 64.250 3.087 -8.697 12 HE3 TRP 2 HE3 TRP 2 62.324 0.499 -4.410 13 HZ2 TRP 2 HZ2 TRP 2 66.313 1.989 -7.016 14 HZ3 TRP 2 HZ3 TRP 2 64.617 -0.058 -3.615 15 HH2 TRP 2 HH2 TRP 2 66.610 0.683 -4.912 16 H GLY 3 HN GLY 3 58.678 2.912 -8.191 17 HA2 GLY 3 HA1 GLY 3 58.631 4.037 -10.229 18 HA3 GLY 3 HA2 GLY 3 59.767 2.851 -10.900 19 H SER 4 HN SER 4 58.552 0.485 -10.781 20 HA SER 4 HA SER 4 56.528 0.734 -12.853 21 HB2 SER 4 HB2 SER 4 57.546 -1.637 -11.245 22 HB3 SER 4 HB1 SER 4 56.374 -1.768 -12.576 23 HG SER 4 HG SER 4 57.902 -1.142 -13.988 24 H PHE 5 HN PHE 5 54.352 -0.011 -12.788 25 HA PHE 5 HA PHE 5 52.229 0.089 -11.851 26 HB2 PHE 5 HB2 PHE 5 53.699 -1.437 -9.665 27 HB3 PHE 5 HB1 PHE 5 51.929 -1.314 -9.802 28 HD1 PHE 5 HD1 PHE 5 50.773 -2.190 -11.877 29 HD2 PHE 5 HD2 PHE 5 54.941 -2.958 -11.055 30 HE1 PHE 5 HE1 PHE 5 50.755 -4.059 -13.525 31 HE2 PHE 5 HE2 PHE 5 54.921 -4.827 -12.702 32 HZ PHE 5 HZ PHE 5 52.841 -5.346 -13.972 33 H PHE 6 HN PHE 6 51.258 0.281 -9.268 34 HA PHE 6 HA PHE 6 52.565 2.654 -8.024 35 HB2 PHE 6 HB2 PHE 6 50.329 3.847 -8.016 36 HB3 PHE 6 HB1 PHE 6 51.109 3.734 -9.612 37 HD1 PHE 6 HD1 PHE 6 50.144 2.403 -11.391 38 HD2 PHE 6 HD2 PHE 6 48.427 2.335 -7.431 39 HE1 PHE 6 HE1 PHE 6 48.142 1.217 -12.280 40 HE2 PHE 6 HE2 PHE 6 46.425 1.147 -8.320 41 HZ PHE 6 HZ PHE 6 46.253 0.649 -10.756 42 H LYS 7 HN LYS 7 50.817 3.404 -6.193 43 HA LYS 7 HA LYS 7 49.370 1.231 -4.943 44 HB2 LYS 7 HB2 LYS 7 51.807 0.557 -4.576 45 HB3 LYS 7 HB1 LYS 7 51.962 2.006 -3.556 46 HG2 LYS 7 HG2 LYS 7 50.163 1.206 -2.087 47 HG3 LYS 7 HG1 LYS 7 49.910 -0.212 -3.135 48 HD2 LYS 7 HD2 LYS 7 52.306 -0.875 -2.707 49 HD3 LYS 7 HD1 LYS 7 52.416 0.457 -1.531 50 HE2 LYS 7 HE2 LYS 7 51.889 -1.709 -0.423 51 HE3 LYS 7 HE1 LYS 7 50.574 -0.527 -0.218 52 HZ1 LYS 7 HZ1 LYS 7 50.335 -2.122 -2.605 53 HZ2 LYS 7 HZ2 LYS 7 49.181 -1.779 -1.406 54 HZ3 LYS 7 HZ3 LYS 7 50.291 -3.047 -1.183 55 H LYS 8 HN LYS 8 48.203 3.431 -5.405 56 HA LYS 8 HA LYS 8 48.717 5.587 -3.533 57 HB2 LYS 8 HB2 LYS 8 46.217 4.921 -5.140 58 HB3 LYS 8 HB1 LYS 8 46.553 6.468 -4.325 59 HG2 LYS 8 HG2 LYS 8 48.682 6.620 -5.709 60 HG3 LYS 8 HG1 LYS 8 48.095 5.219 -6.636 61 HD2 LYS 8 HD2 LYS 8 45.973 6.512 -7.107 62 HD3 LYS 8 HD1 LYS 8 46.735 7.930 -6.346 63 HE2 LYS 8 HE2 LYS 8 47.770 6.408 -8.778 64 HE3 LYS 8 HE1 LYS 8 47.047 8.035 -8.779 65 HZ1 LYS 8 HZ1 LYS 8 48.919 8.485 -7.037 66 HZ2 LYS 8 HZ2 LYS 8 49.270 8.524 -8.699 67 HZ3 LYS 8 HZ3 LYS 8 49.672 7.156 -7.774 68 H ALA 9 HN ALA 9 47.317 2.500 -3.218 69 HA ALA 9 HA ALA 9 45.329 3.190 -1.189 70 HB1 ALA 9 HB1 ALA 9 45.235 1.153 -2.646 71 HB2 ALA 9 HB2 ALA 9 45.101 0.801 -0.906 72 HB3 ALA 9 HB3 ALA 9 46.636 0.509 -1.758 73 H ALA 10 HN ALA 10 47.099 4.608 -0.111 74 HA ALA 10 HA ALA 10 47.822 3.272 2.348 75 HB1 ALA 10 HB1 ALA 10 50.212 3.298 2.196 76 HB2 ALA 10 HB2 ALA 10 50.164 4.112 0.615 77 HB3 ALA 10 HB3 ALA 10 49.609 2.428 0.768 78 H HIS 11 HN HIS 11 46.284 5.306 2.346 79 HA HIS 11 HA HIS 11 47.551 7.896 2.147 80 HB2 HIS 11 HB2 HIS 11 45.091 7.108 3.758 81 HB3 HIS 11 HB1 HIS 11 45.526 8.740 3.195 82 HD1 HIS 11 HD1 HIS 11 43.580 5.809 2.258 83 HD2 HIS 11 HD2 HIS 11 45.764 8.718 0.150 84 HE1 HIS 11 HE1 HIS 11 42.751 5.780 -0.159 85 H ALA 12 HN ALA 12 45.992 7.999 5.079 86 HA ALA 12 HA ALA 12 46.781 8.418 7.220 87 HB1 ALA 12 HB1 ALA 12 47.099 5.929 7.058 88 HB2 ALA 12 HB2 ALA 12 48.206 6.736 8.196 89 HB3 ALA 12 HB3 ALA 12 48.790 6.230 6.592 90 H GLY 13 HN GLY 13 47.624 10.435 7.237 91 HA2 GLY 13 HA1 GLY 13 49.240 12.089 7.217 92 HA3 GLY 13 HA2 GLY 13 50.390 10.806 7.645 93 H LYS 14 HN LYS 14 48.444 11.438 4.700 94 HA LYS 14 HA LYS 14 50.767 12.249 3.157 95 HB2 LYS 14 HB2 LYS 14 51.118 9.739 3.457 96 HB3 LYS 14 HB1 LYS 14 49.646 9.503 2.485 97 HG2 LYS 14 HG2 LYS 14 50.767 11.022 0.716 98 HG3 LYS 14 HG1 LYS 14 52.269 10.803 1.646 99 HD2 LYS 14 HD2 LYS 14 50.564 8.542 0.510 100 HD3 LYS 14 HD1 LYS 14 52.067 9.155 -0.218 101 HE2 LYS 14 HE2 LYS 14 53.172 8.648 2.075 102 HE3 LYS 14 HE1 LYS 14 51.706 7.697 2.423 103 HZ1 LYS 14 HZ1 LYS 14 53.248 6.217 1.476 104 HZ2 LYS 14 HZ2 LYS 14 53.669 7.296 0.233 105 HZ3 LYS 14 HZ3 LYS 14 52.140 6.555 0.238 106 H HIS 15 HN HIS 15 50.202 13.105 1.185 107 HA HIS 15 HA HIS 15 48.742 14.131 -0.298 108 HB2 HIS 15 HB2 HIS 15 47.408 11.409 -0.033 109 HB3 HIS 15 HB1 HIS 15 46.989 12.615 -1.272 110 HD1 HIS 15 HD1 HIS 15 49.764 13.672 -2.050 111 HD2 HIS 15 HD2 HIS 15 48.867 9.593 -1.560 112 HE1 HIS 15 HE1 HIS 15 51.521 12.345 -3.345 113 H ALA 16 HN ALA 16 46.103 12.177 0.988 114 HA ALA 16 HA ALA 16 44.868 14.690 2.126 115 HB1 ALA 16 HB1 ALA 16 42.728 13.808 1.504 116 HB2 ALA 16 HB2 ALA 16 43.439 12.239 1.054 117 HB3 ALA 16 HB3 ALA 16 43.785 13.687 0.078 118 H GLY 17 HN GLY 17 46.333 13.848 3.997 119 HA2 GLY 17 HA1 GLY 17 45.280 11.540 5.455 120 HA3 GLY 17 HA2 GLY 17 46.519 12.683 6.009 121 H LYS 18 HN LYS 18 43.524 13.962 4.798 122 HA LYS 18 HA LYS 18 41.864 15.175 5.870 123 HB2 LYS 18 HB2 LYS 18 42.240 13.173 8.130 124 HB3 LYS 18 HB1 LYS 18 40.785 14.134 7.771 125 HG2 LYS 18 HG2 LYS 18 40.774 12.987 5.465 126 HG3 LYS 18 HG1 LYS 18 41.983 11.866 6.134 127 HD2 LYS 18 HD2 LYS 18 39.183 12.367 7.240 128 HD3 LYS 18 HD1 LYS 18 39.729 10.911 6.378 129 HE2 LYS 18 HE2 LYS 18 41.544 10.731 8.240 130 HE3 LYS 18 HE1 LYS 18 40.530 11.889 9.137 131 HZ1 LYS 18 HZ1 LYS 18 39.401 10.098 9.787 132 HZ2 LYS 18 HZ2 LYS 18 40.098 9.096 8.606 133 HZ3 LYS 18 HZ3 LYS 18 38.748 10.054 8.222 134 H ALA 19 HN ALA 19 44.942 15.352 6.679 135 HA ALA 19 HA ALA 19 44.545 17.681 8.388 136 HB1 ALA 19 HB1 ALA 19 44.361 15.749 10.008 137 HB2 ALA 19 HB2 ALA 19 45.670 16.904 10.360 138 HB3 ALA 19 HB3 ALA 19 46.042 15.337 9.600 139 H ALA 20 HN ALA 20 46.620 15.283 6.843 140 HA ALA 20 HA ALA 20 49.132 16.526 7.142 141 HB1 ALA 20 HB1 ALA 20 47.945 14.975 4.819 142 HB2 ALA 20 HB2 ALA 20 48.967 14.353 6.137 143 HB3 ALA 20 HB3 ALA 20 49.658 15.449 4.915 144 H LEU 21 HN LEU 21 48.173 16.567 3.813 145 HA LEU 21 HA LEU 21 48.923 19.404 3.615 146 HB2 LEU 21 HB2 LEU 21 47.759 17.652 1.423 147 HB3 LEU 21 HB1 LEU 21 48.809 19.080 1.256 148 HG LEU 21 HG LEU 21 49.583 16.391 2.474 149 HD11 LEU 21 HD11 LEU 21 51.135 16.304 0.528 150 HD12 LEU 21 HD12 LEU 21 50.459 17.841 -0.065 151 HD13 LEU 21 HD13 LEU 21 49.435 16.387 0.010 152 HD21 LEU 21 HD21 LEU 21 51.028 19.066 2.281 153 HD22 LEU 21 HD22 LEU 21 51.925 17.534 2.402 154 HD23 LEU 21 HD23 LEU 21 50.818 18.018 3.704 155 H THR 22 HN THR 22 46.097 17.760 4.410 156 HA THR 22 HA THR 22 44.064 19.081 2.981 157 HB THR 22 HB THR 22 44.037 18.380 5.952 158 HG1 THR 22 HG1 THR 22 43.698 16.395 5.316 159 HG21 THR 22 HG21 THR 22 42.164 19.799 5.432 160 HG22 THR 22 HG22 THR 22 41.549 18.128 5.452 161 HG23 THR 22 HG23 THR 22 41.861 18.945 3.901 162 H HIS 23 HN HIS 23 44.813 19.987 6.360 163 HA HIS 23 HA HIS 23 43.934 22.744 5.818 164 HB2 HIS 23 HB2 HIS 23 45.194 21.604 8.340 165 HB3 HIS 23 HB1 HIS 23 44.210 23.080 8.190 166 HD1 HIS 23 HD1 HIS 23 41.779 22.310 6.693 167 HD2 HIS 23 HD2 HIS 23 43.588 19.622 9.374 168 HE1 HIS 23 HE1 HIS 23 39.994 20.627 7.404 169 H TYR 24 HN TYR 24 45.741 23.978 7.732 170 HA TYR 24 HA TYR 24 47.745 24.907 5.927 171 HB2 TYR 24 HB2 TYR 24 47.813 24.994 8.968 172 HB3 TYR 24 HB1 TYR 24 48.679 26.069 7.845 173 HD1 TYR 24 HD1 TYR 24 45.462 25.312 9.445 174 HD2 TYR 24 HD2 TYR 24 47.406 27.662 6.390 175 HE1 TYR 24 HE1 TYR 24 43.473 26.809 9.329 176 HE2 TYR 24 HE2 TYR 24 45.417 29.158 6.275 177 HH TYR 24 HH TYR 24 42.865 28.738 6.734 178 H LEU 25 HN LEU 25 49.694 24.185 5.361 179 HA LEU 25 HA LEU 25 51.510 22.748 5.229 180 HB2 LEU 25 HB2 LEU 25 51.356 22.470 8.248 181 HB3 LEU 25 HB1 LEU 25 52.796 22.485 7.201 182 HG LEU 25 HG LEU 25 50.939 24.835 7.784 183 HD11 LEU 25 HD11 LEU 25 52.576 24.175 9.577 184 HD12 LEU 25 HD12 LEU 25 52.895 25.788 8.893 185 HD13 LEU 25 HD13 LEU 25 53.894 24.398 8.403 186 HD21 LEU 25 HD21 LEU 25 53.284 24.498 5.866 187 HD22 LEU 25 HD22 LEU 25 52.760 26.094 6.455 188 HD23 LEU 25 HD23 LEU 25 51.645 25.087 5.503 Start of MODEL 38 1 H1 GLY 1 HT1 GLY 1 57.941 -2.472 -16.403 2 H2 GLY 1 HT2 GLY 1 58.250 -3.546 -15.123 3 H3 GLY 1 HT3 GLY 1 58.323 -4.089 -16.732 4 HA2 GLY 1 HA1 GLY 1 60.485 -3.693 -15.596 5 HA3 GLY 1 HA2 GLY 1 60.246 -2.946 -17.189 6 H TRP 2 HN TRP 2 58.215 -1.364 -15.113 7 HA TRP 2 HA TRP 2 59.532 1.110 -15.239 8 HB2 TRP 2 HB2 TRP 2 57.640 0.056 -13.102 9 HB3 TRP 2 HB1 TRP 2 58.090 1.766 -13.302 10 HD1 TRP 2 HD1 TRP 2 56.245 -1.086 -15.100 11 HE1 TRP 2 HE1 TRP 2 54.640 -0.085 -16.885 12 HE3 TRP 2 HE3 TRP 2 57.629 3.832 -14.764 13 HZ2 TRP 2 HZ2 TRP 2 54.061 2.508 -17.994 14 HZ3 TRP 2 HZ3 TRP 2 56.537 5.552 -16.196 15 HH2 TRP 2 HH2 TRP 2 54.756 4.896 -17.808 16 H GLY 3 HN GLY 3 59.593 -1.297 -12.580 17 HA2 GLY 3 HA1 GLY 3 62.319 -0.797 -11.925 18 HA3 GLY 3 HA2 GLY 3 61.300 0.185 -10.855 19 H SER 4 HN SER 4 59.147 -1.373 -10.349 20 HA SER 4 HA SER 4 59.876 -4.108 -9.709 21 HB2 SER 4 HB2 SER 4 59.783 -3.784 -7.202 22 HB3 SER 4 HB1 SER 4 61.243 -3.134 -7.979 23 HG SER 4 HG SER 4 60.540 -1.489 -6.747 24 H PHE 5 HN PHE 5 58.100 -2.423 -7.261 25 HA PHE 5 HA PHE 5 55.500 -2.634 -8.624 26 HB2 PHE 5 HB2 PHE 5 56.236 -4.532 -6.360 27 HB3 PHE 5 HB1 PHE 5 54.579 -4.249 -6.943 28 HD1 PHE 5 HD1 PHE 5 53.914 -4.915 -9.244 29 HD2 PHE 5 HD2 PHE 5 57.835 -5.808 -7.676 30 HE1 PHE 5 HE1 PHE 5 54.276 -6.556 -11.084 31 HE2 PHE 5 HE2 PHE 5 58.195 -7.450 -9.516 32 HZ PHE 5 HZ PHE 5 56.457 -7.746 -11.275 33 H PHE 6 HN PHE 6 57.628 -1.484 -6.265 34 HA PHE 6 HA PHE 6 57.390 0.044 -4.537 35 HB2 PHE 6 HB2 PHE 6 54.769 0.854 -5.840 36 HB3 PHE 6 HB1 PHE 6 55.916 1.867 -4.929 37 HD1 PHE 6 HD1 PHE 6 58.173 2.396 -5.907 38 HD2 PHE 6 HD2 PHE 6 55.102 0.391 -8.183 39 HE1 PHE 6 HE1 PHE 6 59.384 2.936 -8.017 40 HE2 PHE 6 HE2 PHE 6 56.314 0.931 -10.293 41 HZ PHE 6 HZ PHE 6 58.491 2.139 -10.202 42 H LYS 7 HN LYS 7 54.874 1.124 -3.496 43 HA LYS 7 HA LYS 7 53.296 -1.134 -2.522 44 HB2 LYS 7 HB2 LYS 7 55.459 -1.276 -1.178 45 HB3 LYS 7 HB1 LYS 7 55.027 0.302 -0.475 46 HG2 LYS 7 HG2 LYS 7 52.799 -0.714 0.206 47 HG3 LYS 7 HG1 LYS 7 53.440 -2.295 -0.304 48 HD2 LYS 7 HD2 LYS 7 55.333 -2.033 1.283 49 HD3 LYS 7 HD1 LYS 7 54.667 -0.468 1.808 50 HE2 LYS 7 HE2 LYS 7 52.522 -1.695 2.412 51 HE3 LYS 7 HE1 LYS 7 53.394 -3.218 2.112 52 HZ1 LYS 7 HZ1 LYS 7 54.823 -2.837 3.876 53 HZ2 LYS 7 HZ2 LYS 7 53.345 -2.259 4.483 54 HZ3 LYS 7 HZ3 LYS 7 54.520 -1.169 3.921 55 H LYS 8 HN LYS 8 51.789 0.380 -3.548 56 HA LYS 8 HA LYS 8 51.357 3.032 -2.619 57 HB2 LYS 8 HB2 LYS 8 49.433 0.966 -3.751 58 HB3 LYS 8 HB1 LYS 8 49.005 2.671 -3.471 59 HG2 LYS 8 HG2 LYS 8 50.860 3.381 -4.955 60 HG3 LYS 8 HG1 LYS 8 51.278 1.675 -5.245 61 HD2 LYS 8 HD2 LYS 8 48.946 1.315 -6.127 62 HD3 LYS 8 HD1 LYS 8 48.664 3.066 -5.973 63 HE2 LYS 8 HE2 LYS 8 50.691 3.440 -7.446 64 HE3 LYS 8 HE1 LYS 8 50.745 1.681 -7.718 65 HZ1 LYS 8 HZ1 LYS 8 49.314 3.431 -9.192 66 HZ2 LYS 8 HZ2 LYS 8 48.136 2.868 -8.105 67 HZ3 LYS 8 HZ3 LYS 8 48.990 1.770 -9.081 68 H ALA 9 HN ALA 9 51.053 3.639 -0.577 69 HA ALA 9 HA ALA 9 50.108 1.908 1.490 70 HB1 ALA 9 HB1 ALA 9 50.248 4.930 1.261 71 HB2 ALA 9 HB2 ALA 9 51.399 3.838 2.070 72 HB3 ALA 9 HB3 ALA 9 49.772 4.082 2.752 73 H ALA 10 HN ALA 10 48.322 4.849 1.489 74 HA ALA 10 HA ALA 10 45.937 3.898 0.166 75 HB1 ALA 10 HB1 ALA 10 44.538 3.491 2.128 76 HB2 ALA 10 HB2 ALA 10 45.933 3.760 3.201 77 HB3 ALA 10 HB3 ALA 10 45.909 2.358 2.103 78 H HIS 11 HN HIS 11 47.851 6.155 1.761 79 HA HIS 11 HA HIS 11 45.810 8.085 2.487 80 HB2 HIS 11 HB2 HIS 11 48.714 8.642 1.789 81 HB3 HIS 11 HB1 HIS 11 47.637 9.609 2.824 82 HD1 HIS 11 HD1 HIS 11 50.297 8.537 3.985 83 HD2 HIS 11 HD2 HIS 11 46.668 6.421 4.181 84 HE1 HIS 11 HE1 HIS 11 50.461 6.925 5.959 85 H ALA 12 HN ALA 12 44.762 9.553 1.293 86 HA ALA 12 HA ALA 12 45.852 10.654 -1.151 87 HB1 ALA 12 HB1 ALA 12 44.413 9.642 -2.778 88 HB2 ALA 12 HB2 ALA 12 43.514 8.759 -1.522 89 HB3 ALA 12 HB3 ALA 12 45.200 8.322 -1.883 90 H GLY 13 HN GLY 13 43.830 10.607 1.466 91 HA2 GLY 13 HA1 GLY 13 42.789 13.186 1.050 92 HA3 GLY 13 HA2 GLY 13 41.550 12.057 0.468 93 H LYS 14 HN LYS 14 43.846 12.094 3.233 94 HA LYS 14 HA LYS 14 41.698 12.390 5.168 95 HB2 LYS 14 HB2 LYS 14 41.333 10.022 4.477 96 HB3 LYS 14 HB1 LYS 14 43.005 9.649 4.958 97 HG2 LYS 14 HG2 LYS 14 42.547 10.262 7.267 98 HG3 LYS 14 HG1 LYS 14 40.923 10.849 6.832 99 HD2 LYS 14 HD2 LYS 14 40.302 8.552 6.100 100 HD3 LYS 14 HD1 LYS 14 41.913 7.973 6.592 101 HE2 LYS 14 HE2 LYS 14 40.319 7.515 8.391 102 HE3 LYS 14 HE1 LYS 14 41.444 8.789 8.921 103 HZ1 LYS 14 HZ1 LYS 14 39.788 10.248 9.074 104 HZ2 LYS 14 HZ2 LYS 14 38.715 8.940 8.928 105 HZ3 LYS 14 HZ3 LYS 14 39.152 9.840 7.556 106 H HIS 15 HN HIS 15 44.658 10.380 5.276 107 HA HIS 15 HA HIS 15 45.622 11.882 7.600 108 HB2 HIS 15 HB2 HIS 15 45.981 9.440 7.354 109 HB3 HIS 15 HB1 HIS 15 46.988 9.743 5.917 110 HD1 HIS 15 HD1 HIS 15 49.428 9.928 6.373 111 HD2 HIS 15 HD2 HIS 15 47.121 11.055 9.705 112 HE1 HIS 15 HE1 HIS 15 51.049 10.467 8.273 113 H ALA 16 HN ALA 16 45.529 12.660 4.413 114 HA ALA 16 HA ALA 16 47.590 14.683 4.706 115 HB1 ALA 16 HB1 ALA 16 49.113 12.865 4.253 116 HB2 ALA 16 HB2 ALA 16 49.000 13.878 2.794 117 HB3 ALA 16 HB3 ALA 16 48.130 12.327 2.870 118 H GLY 17 HN GLY 17 44.951 14.994 4.236 119 HA2 GLY 17 HA1 GLY 17 44.357 15.073 1.380 120 HA3 GLY 17 HA2 GLY 17 43.374 15.745 2.696 121 H LYS 18 HN LYS 18 46.781 16.531 2.277 122 HA LYS 18 HA LYS 18 47.786 18.600 1.946 123 HB2 LYS 18 HB2 LYS 18 45.573 18.741 -0.138 124 HB3 LYS 18 HB1 LYS 18 46.937 19.881 -0.044 125 HG2 LYS 18 HG2 LYS 18 48.511 17.921 -0.213 126 HG3 LYS 18 HG1 LYS 18 47.101 16.867 -0.476 127 HD2 LYS 18 HD2 LYS 18 46.477 18.175 -2.476 128 HD3 LYS 18 HD1 LYS 18 47.862 19.261 -2.206 129 HE2 LYS 18 HE2 LYS 18 48.137 16.252 -2.592 130 HE3 LYS 18 HE1 LYS 18 48.271 17.430 -3.921 131 HZ1 LYS 18 HZ1 LYS 18 50.163 16.767 -1.863 132 HZ2 LYS 18 HZ2 LYS 18 49.889 18.441 -1.971 133 HZ3 LYS 18 HZ3 LYS 18 50.403 17.571 -3.338 134 H ALA 19 HN ALA 19 45.149 18.305 3.648 135 HA ALA 19 HA ALA 19 45.157 21.089 4.516 136 HB1 ALA 19 HB1 ALA 19 42.610 20.001 3.267 137 HB2 ALA 19 HB2 ALA 19 43.672 21.220 2.522 138 HB3 ALA 19 HB3 ALA 19 42.822 21.590 4.042 139 H ALA 20 HN ALA 20 44.262 17.765 4.716 140 HA ALA 20 HA ALA 20 42.588 17.989 7.084 141 HB1 ALA 20 HB1 ALA 20 42.373 16.047 5.677 142 HB2 ALA 20 HB2 ALA 20 43.029 15.515 7.244 143 HB3 ALA 20 HB3 ALA 20 44.106 15.675 5.836 144 H LEU 21 HN LEU 21 45.886 16.621 6.630 145 HA LEU 21 HA LEU 21 46.419 16.804 9.503 146 HB2 LEU 21 HB2 LEU 21 47.341 15.041 7.899 147 HB3 LEU 21 HB1 LEU 21 48.402 16.311 7.254 148 HG LEU 21 HG LEU 21 49.063 16.678 9.806 149 HD11 LEU 21 HD11 LEU 21 47.982 13.820 9.798 150 HD12 LEU 21 HD12 LEU 21 47.423 15.167 10.816 151 HD13 LEU 21 HD13 LEU 21 49.048 14.489 11.053 152 HD21 LEU 21 HD21 LEU 21 50.847 14.941 9.568 153 HD22 LEU 21 HD22 LEU 21 50.635 15.905 8.087 154 HD23 LEU 21 HD23 LEU 21 49.967 14.258 8.181 155 H THR 22 HN THR 22 47.378 18.560 6.552 156 HA THR 22 HA THR 22 49.186 20.346 7.995 157 HB THR 22 HB THR 22 49.224 21.624 5.852 158 HG1 THR 22 HG1 THR 22 46.947 20.177 5.494 159 HG21 THR 22 HG21 THR 22 49.510 18.598 5.722 160 HG22 THR 22 HG22 THR 22 50.784 19.802 6.033 161 HG23 THR 22 HG23 THR 22 50.048 19.681 4.417 162 H HIS 23 HN HIS 23 46.058 20.038 8.479 163 HA HIS 23 HA HIS 23 44.788 22.478 7.910 164 HB2 HIS 23 HB2 HIS 23 43.750 20.448 8.989 165 HB3 HIS 23 HB1 HIS 23 44.527 20.930 10.517 166 HD1 HIS 23 HD1 HIS 23 43.559 22.932 11.802 167 HD2 HIS 23 HD2 HIS 23 41.722 22.310 8.070 168 HE1 HIS 23 HE1 HIS 23 41.470 24.402 11.725 169 H TYR 24 HN TYR 24 45.957 24.332 8.065 170 HA TYR 24 HA TYR 24 46.947 26.154 9.087 171 HB2 TYR 24 HB2 TYR 24 44.863 25.966 10.514 172 HB3 TYR 24 HB1 TYR 24 45.832 25.052 11.695 173 HD1 TYR 24 HD1 TYR 24 47.645 26.130 12.958 174 HD2 TYR 24 HD2 TYR 24 45.261 28.356 10.132 175 HE1 TYR 24 HE1 TYR 24 48.516 28.265 13.904 176 HE2 TYR 24 HE2 TYR 24 46.131 30.490 11.078 177 HH TYR 24 HH TYR 24 47.165 31.011 13.726 178 H LEU 25 HN LEU 25 48.972 26.642 9.694 179 HA LEU 25 HA LEU 25 50.823 24.539 10.274 180 HB2 LEU 25 HB2 LEU 25 50.948 27.568 10.432 181 HB3 LEU 25 HB1 LEU 25 52.330 26.571 10.945 182 HG LEU 25 HG LEU 25 52.382 25.489 8.718 183 HD11 LEU 25 HD11 LEU 25 50.112 25.547 7.984 184 HD12 LEU 25 HD12 LEU 25 50.966 26.661 6.892 185 HD13 LEU 25 HD13 LEU 25 49.988 27.305 8.234 186 HD21 LEU 25 HD21 LEU 25 53.708 27.546 9.131 187 HD22 LEU 25 HD22 LEU 25 52.331 28.540 8.596 188 HD23 LEU 25 HD23 LEU 25 53.158 27.467 7.440 Start of MODEL 39 1 H1 GLY 1 HT1 GLY 1 57.967 -1.448 -6.844 2 H2 GLY 1 HT2 GLY 1 59.530 -0.783 -6.906 3 H3 GLY 1 HT3 GLY 1 59.011 -1.619 -5.521 4 HA2 GLY 1 HA1 GLY 1 60.547 -2.744 -7.221 5 HA3 GLY 1 HA2 GLY 1 59.229 -3.636 -6.438 6 H TRP 2 HN TRP 2 57.170 -3.813 -7.581 7 HA TRP 2 HA TRP 2 57.491 -4.772 -10.215 8 HB2 TRP 2 HB2 TRP 2 54.940 -3.599 -9.046 9 HB3 TRP 2 HB1 TRP 2 55.073 -4.814 -10.339 10 HD1 TRP 2 HD1 TRP 2 56.674 -7.056 -9.451 11 HE1 TRP 2 HE1 TRP 2 56.337 -8.422 -7.264 12 HE3 TRP 2 HE3 TRP 2 54.028 -3.608 -6.744 13 HZ2 TRP 2 HZ2 TRP 2 55.081 -8.038 -4.701 14 HZ3 TRP 2 HZ3 TRP 2 53.271 -4.130 -4.431 15 HH2 TRP 2 HH2 TRP 2 53.793 -6.340 -3.408 16 H GLY 3 HN GLY 3 56.264 -1.593 -9.099 17 HA2 GLY 3 HA1 GLY 3 57.394 -0.224 -11.364 18 HA3 GLY 3 HA2 GLY 3 55.659 -0.497 -11.619 19 H SER 4 HN SER 4 54.669 -0.242 -9.045 20 HA SER 4 HA SER 4 54.505 2.619 -8.818 21 HB2 SER 4 HB2 SER 4 53.286 2.112 -6.687 22 HB3 SER 4 HB1 SER 4 52.676 1.198 -8.083 23 HG SER 4 HG SER 4 54.712 -0.117 -6.891 24 H PHE 5 HN PHE 5 56.261 3.798 -8.330 25 HA PHE 5 HA PHE 5 58.430 2.914 -6.703 26 HB2 PHE 5 HB2 PHE 5 57.427 5.717 -7.341 27 HB3 PHE 5 HB1 PHE 5 58.982 5.362 -6.548 28 HD1 PHE 5 HD1 PHE 5 60.828 4.343 -7.779 29 HD2 PHE 5 HD2 PHE 5 57.025 5.059 -9.688 30 HE1 PHE 5 HE1 PHE 5 61.867 3.923 -10.005 31 HE2 PHE 5 HE2 PHE 5 58.064 4.640 -11.915 32 HZ PHE 5 HZ PHE 5 60.486 4.080 -12.073 33 H PHE 6 HN PHE 6 57.086 5.888 -5.538 34 HA PHE 6 HA PHE 6 57.092 4.881 -2.808 35 HB2 PHE 6 HB2 PHE 6 56.212 7.163 -2.267 36 HB3 PHE 6 HB1 PHE 6 57.690 7.198 -3.256 37 HD1 PHE 6 HD1 PHE 6 54.042 7.791 -3.212 38 HD2 PHE 6 HD2 PHE 6 57.611 7.816 -5.638 39 HE1 PHE 6 HE1 PHE 6 52.840 9.093 -4.964 40 HE2 PHE 6 HE2 PHE 6 56.410 9.116 -7.392 41 HZ PHE 6 HZ PHE 6 54.040 9.801 -7.031 42 H LYS 7 HN LYS 7 54.901 6.072 -1.619 43 HA LYS 7 HA LYS 7 52.932 4.090 -1.758 44 HB2 LYS 7 HB2 LYS 7 52.640 7.036 -1.057 45 HB3 LYS 7 HB1 LYS 7 51.400 5.799 -0.737 46 HG2 LYS 7 HG2 LYS 7 52.898 4.569 0.717 47 HG3 LYS 7 HG1 LYS 7 54.271 5.609 0.266 48 HD2 LYS 7 HD2 LYS 7 53.094 7.569 1.250 49 HD3 LYS 7 HD1 LYS 7 51.754 6.503 1.738 50 HE2 LYS 7 HE2 LYS 7 54.656 6.203 2.630 51 HE3 LYS 7 HE1 LYS 7 53.343 6.894 3.614 52 HZ1 LYS 7 HZ1 LYS 7 54.025 4.195 3.273 53 HZ2 LYS 7 HZ2 LYS 7 52.487 4.426 2.587 54 HZ3 LYS 7 HZ3 LYS 7 52.771 4.852 4.207 55 H LYS 8 HN LYS 8 50.527 4.595 -2.335 56 HA LYS 8 HA LYS 8 50.092 6.230 -4.702 57 HB2 LYS 8 HB2 LYS 8 51.339 4.360 -5.739 58 HB3 LYS 8 HB1 LYS 8 50.162 3.208 -5.064 59 HG2 LYS 8 HG2 LYS 8 48.371 4.115 -6.386 60 HG3 LYS 8 HG1 LYS 8 49.346 5.525 -6.863 61 HD2 LYS 8 HD2 LYS 8 50.906 4.031 -8.084 62 HD3 LYS 8 HD1 LYS 8 49.921 2.625 -7.615 63 HE2 LYS 8 HE2 LYS 8 48.906 5.007 -9.230 64 HE3 LYS 8 HE1 LYS 8 49.384 3.436 -9.919 65 HZ1 LYS 8 HZ1 LYS 8 46.927 4.165 -8.763 66 HZ2 LYS 8 HZ2 LYS 8 47.625 2.952 -7.799 67 HZ3 LYS 8 HZ3 LYS 8 47.367 2.683 -9.456 68 H ALA 9 HN ALA 9 49.146 4.095 -2.183 69 HA ALA 9 HA ALA 9 46.357 5.026 -2.416 70 HB1 ALA 9 HB1 ALA 9 46.399 3.042 -3.907 71 HB2 ALA 9 HB2 ALA 9 45.378 2.790 -2.471 72 HB3 ALA 9 HB3 ALA 9 46.998 2.058 -2.552 73 H ALA 10 HN ALA 10 49.056 3.697 -0.757 74 HA ALA 10 HA ALA 10 47.800 2.741 1.621 75 HB1 ALA 10 HB1 ALA 10 50.475 4.161 1.407 76 HB2 ALA 10 HB2 ALA 10 50.211 2.452 0.985 77 HB3 ALA 10 HB3 ALA 10 49.965 3.005 2.659 78 H HIS 11 HN HIS 11 48.891 5.991 0.638 79 HA HIS 11 HA HIS 11 46.967 7.211 2.504 80 HB2 HIS 11 HB2 HIS 11 49.954 7.694 2.863 81 HB3 HIS 11 HB1 HIS 11 48.643 8.539 3.720 82 HD1 HIS 11 HD1 HIS 11 50.508 5.267 3.552 83 HD2 HIS 11 HD2 HIS 11 47.354 6.989 5.737 84 HE1 HIS 11 HE1 HIS 11 49.996 3.706 5.509 85 H ALA 12 HN ALA 12 47.233 7.139 -0.325 86 HA ALA 12 HA ALA 12 48.569 9.532 -1.273 87 HB1 ALA 12 HB1 ALA 12 47.496 9.061 -3.372 88 HB2 ALA 12 HB2 ALA 12 46.281 8.027 -2.580 89 HB3 ALA 12 HB3 ALA 12 47.982 7.507 -2.655 90 H GLY 13 HN GLY 13 45.445 8.824 0.130 91 HA2 GLY 13 HA1 GLY 13 44.860 11.670 0.353 92 HA3 GLY 13 HA2 GLY 13 43.809 10.848 -0.818 93 H LYS 14 HN LYS 14 45.105 10.427 2.501 94 HA LYS 14 HA LYS 14 42.458 10.233 3.644 95 HB2 LYS 14 HB2 LYS 14 42.650 8.003 2.441 96 HB3 LYS 14 HB1 LYS 14 43.998 7.613 3.536 97 HG2 LYS 14 HG2 LYS 14 42.472 8.035 5.487 98 HG3 LYS 14 HG1 LYS 14 41.130 8.270 4.340 99 HD2 LYS 14 HD2 LYS 14 41.416 5.991 3.482 100 HD3 LYS 14 HD1 LYS 14 42.833 5.747 4.531 101 HE2 LYS 14 HE2 LYS 14 41.435 6.023 6.535 102 HE3 LYS 14 HE1 LYS 14 40.012 6.354 5.517 103 HZ1 LYS 14 HZ1 LYS 14 39.670 4.172 5.525 104 HZ2 LYS 14 HZ2 LYS 14 41.175 3.850 6.245 105 HZ3 LYS 14 HZ3 LYS 14 41.053 3.999 4.556 106 H HIS 15 HN HIS 15 42.623 10.828 5.714 107 HA HIS 15 HA HIS 15 43.650 11.452 7.702 108 HB2 HIS 15 HB2 HIS 15 45.080 8.816 7.178 109 HB3 HIS 15 HB1 HIS 15 45.159 9.712 8.715 110 HD1 HIS 15 HD1 HIS 15 42.174 10.674 8.825 111 HD2 HIS 15 HD2 HIS 15 43.360 6.746 7.905 112 HE1 HIS 15 HE1 HIS 15 40.217 9.133 9.396 113 H ALA 16 HN ALA 16 46.564 9.748 6.680 114 HA ALA 16 HA ALA 16 48.084 12.292 6.866 115 HB1 ALA 16 HB1 ALA 16 48.960 9.415 6.433 116 HB2 ALA 16 HB2 ALA 16 48.961 10.301 7.977 117 HB3 ALA 16 HB3 ALA 16 50.050 10.803 6.662 118 H GLY 17 HN GLY 17 46.388 12.478 4.744 119 HA2 GLY 17 HA1 GLY 17 47.542 11.486 2.287 120 HA3 GLY 17 HA2 GLY 17 46.299 12.741 2.443 121 H LYS 18 HN LYS 18 49.139 13.302 4.293 122 HA LYS 18 HA LYS 18 50.778 14.932 4.088 123 HB2 LYS 18 HB2 LYS 18 50.691 14.389 1.100 124 HB3 LYS 18 HB1 LYS 18 52.070 14.945 2.078 125 HG2 LYS 18 HG2 LYS 18 50.706 12.223 2.295 126 HG3 LYS 18 HG1 LYS 18 52.288 12.544 1.547 127 HD2 LYS 18 HD2 LYS 18 52.938 13.576 3.861 128 HD3 LYS 18 HD1 LYS 18 51.504 12.721 4.479 129 HE2 LYS 18 HE2 LYS 18 53.908 11.481 3.075 130 HE3 LYS 18 HE1 LYS 18 53.447 11.286 4.783 131 HZ1 LYS 18 HZ1 LYS 18 51.830 9.830 4.264 132 HZ2 LYS 18 HZ2 LYS 18 52.743 9.586 2.853 133 HZ3 LYS 18 HZ3 LYS 18 51.397 10.621 2.828 134 H ALA 19 HN ALA 19 47.784 15.490 3.460 135 HA ALA 19 HA ALA 19 48.196 18.339 2.932 136 HB1 ALA 19 HB1 ALA 19 48.256 17.447 0.629 137 HB2 ALA 19 HB2 ALA 19 46.813 18.450 0.911 138 HB3 ALA 19 HB3 ALA 19 46.675 16.675 0.893 139 H ALA 20 HN ALA 20 46.203 15.539 3.577 140 HA ALA 20 HA ALA 20 43.757 17.044 4.075 141 HB1 ALA 20 HB1 ALA 20 43.035 14.894 5.168 142 HB2 ALA 20 HB2 ALA 20 44.660 14.247 4.836 143 HB3 ALA 20 HB3 ALA 20 43.593 14.714 3.489 144 H LEU 21 HN LEU 21 46.064 15.327 6.241 145 HA LEU 21 HA LEU 21 44.940 16.344 8.654 146 HB2 LEU 21 HB2 LEU 21 46.432 14.433 8.681 147 HB3 LEU 21 HB1 LEU 21 47.751 15.391 7.977 148 HG LEU 21 HG LEU 21 47.933 16.744 9.996 149 HD11 LEU 21 HD11 LEU 21 45.385 15.277 10.787 150 HD12 LEU 21 HD12 LEU 21 45.702 17.030 10.768 151 HD13 LEU 21 HD13 LEU 21 46.449 16.009 12.014 152 HD21 LEU 21 HD21 LEU 21 47.607 13.823 10.809 153 HD22 LEU 21 HD22 LEU 21 48.671 15.036 11.560 154 HD23 LEU 21 HD23 LEU 21 49.006 14.456 9.910 155 H THR 22 HN THR 22 47.710 17.485 6.680 156 HA THR 22 HA THR 22 48.323 19.730 8.361 157 HB THR 22 HB THR 22 49.558 20.606 6.395 158 HG1 THR 22 HG1 THR 22 49.437 18.999 4.548 159 HG21 THR 22 HG21 THR 22 50.480 18.746 7.828 160 HG22 THR 22 HG22 THR 22 51.109 18.751 6.163 161 HG23 THR 22 HG23 THR 22 49.851 17.584 6.636 162 H HIS 23 HN HIS 23 46.482 19.506 5.283 163 HA HIS 23 HA HIS 23 44.902 20.941 4.375 164 HB2 HIS 23 HB2 HIS 23 43.721 20.267 6.490 165 HB3 HIS 23 HB1 HIS 23 44.372 21.732 7.265 166 HD1 HIS 23 HD1 HIS 23 43.804 22.547 3.801 167 HD2 HIS 23 HD2 HIS 23 41.301 22.140 7.155 168 HE1 HIS 23 HE1 HIS 23 41.647 23.821 3.300 169 H TYR 24 HN TYR 24 47.626 21.904 4.676 170 HA TYR 24 HA TYR 24 48.817 23.890 4.512 171 HB2 TYR 24 HB2 TYR 24 47.184 24.155 2.625 172 HB3 TYR 24 HB1 TYR 24 46.124 25.067 3.726 173 HD1 TYR 24 HD1 TYR 24 49.716 24.970 2.572 174 HD2 TYR 24 HD2 TYR 24 46.391 27.417 3.839 175 HE1 TYR 24 HE1 TYR 24 51.054 27.022 2.123 176 HE2 TYR 24 HE2 TYR 24 47.730 29.468 3.387 177 HH TYR 24 HH TYR 24 50.934 29.611 2.882 178 H LEU 25 HN LEU 25 48.360 23.376 7.081 179 HA LEU 25 HA LEU 25 48.103 24.339 9.179 180 HB2 LEU 25 HB2 LEU 25 48.511 27.025 7.823 181 HB3 LEU 25 HB1 LEU 25 49.036 26.504 9.442 182 HG LEU 25 HG LEU 25 50.102 25.482 6.772 183 HD11 LEU 25 HD11 LEU 25 51.403 27.090 9.017 184 HD12 LEU 25 HD12 LEU 25 50.887 27.744 7.444 185 HD13 LEU 25 HD13 LEU 25 52.202 26.546 7.523 186 HD21 LEU 25 HD21 LEU 25 50.616 24.640 9.656 187 HD22 LEU 25 HD22 LEU 25 51.786 24.320 8.352 188 HD23 LEU 25 HD23 LEU 25 50.155 23.616 8.275 Start of MODEL 40 1 H1 GLY 1 HT1 GLY 1 59.525 10.980 -5.820 2 H2 GLY 1 HT2 GLY 1 60.855 11.190 -6.856 3 H3 GLY 1 HT3 GLY 1 60.672 9.743 -5.983 4 HA2 GLY 1 HA1 GLY 1 60.012 9.963 -8.484 5 HA3 GLY 1 HA2 GLY 1 59.157 8.904 -7.345 6 H TRP 2 HN TRP 2 57.207 9.695 -6.320 7 HA TRP 2 HA TRP 2 55.977 12.160 -7.200 8 HB2 TRP 2 HB2 TRP 2 55.876 10.748 -9.317 9 HB3 TRP 2 HB1 TRP 2 54.805 9.636 -8.430 10 HD1 TRP 2 HD1 TRP 2 52.337 10.338 -8.097 11 HE1 TRP 2 HE1 TRP 2 50.876 12.353 -8.853 12 HE3 TRP 2 HE3 TRP 2 56.045 13.422 -9.811 13 HZ2 TRP 2 HZ2 TRP 2 51.296 14.944 -10.039 14 HZ3 TRP 2 HZ3 TRP 2 55.493 15.661 -10.750 15 HH2 TRP 2 HH2 TRP 2 53.125 16.425 -10.866 16 H GLY 3 HN GLY 3 55.860 8.967 -5.765 17 HA2 GLY 3 HA1 GLY 3 54.411 9.838 -3.489 18 HA3 GLY 3 HA2 GLY 3 53.247 9.116 -4.616 19 H SER 4 HN SER 4 56.548 7.991 -4.610 20 HA SER 4 HA SER 4 57.417 5.904 -4.098 21 HB2 SER 4 HB2 SER 4 55.493 5.883 -1.750 22 HB3 SER 4 HB1 SER 4 57.091 5.114 -1.871 23 HG SER 4 HG SER 4 56.404 7.690 -1.238 24 H PHE 5 HN PHE 5 55.813 3.859 -2.525 25 HA PHE 5 HA PHE 5 54.892 2.325 -4.728 26 HB2 PHE 5 HB2 PHE 5 53.868 2.096 -1.876 27 HB3 PHE 5 HB1 PHE 5 53.990 0.810 -3.100 28 HD1 PHE 5 HD1 PHE 5 55.733 2.619 -0.470 29 HD2 PHE 5 HD2 PHE 5 56.304 0.154 -3.967 30 HE1 PHE 5 HE1 PHE 5 58.061 2.118 0.263 31 HE2 PHE 5 HE2 PHE 5 58.632 -0.347 -3.233 32 HZ PHE 5 HZ PHE 5 59.493 0.596 -1.093 33 H PHE 6 HN PHE 6 52.467 1.351 -4.454 34 HA PHE 6 HA PHE 6 50.438 3.402 -3.987 35 HB2 PHE 6 HB2 PHE 6 49.652 3.567 -6.312 36 HB3 PHE 6 HB1 PHE 6 51.323 4.165 -6.172 37 HD1 PHE 6 HD1 PHE 6 53.215 2.866 -7.061 38 HD2 PHE 6 HD2 PHE 6 49.155 1.453 -7.445 39 HE1 PHE 6 HE1 PHE 6 53.957 1.195 -8.754 40 HE2 PHE 6 HE2 PHE 6 49.897 -0.218 -9.140 41 HZ PHE 6 HZ PHE 6 52.311 -0.402 -9.730 42 H LYS 7 HN LYS 7 51.541 0.238 -4.811 43 HA LYS 7 HA LYS 7 49.072 -1.027 -5.467 44 HB2 LYS 7 HB2 LYS 7 51.501 -2.122 -3.991 45 HB3 LYS 7 HB1 LYS 7 50.193 -3.108 -4.687 46 HG2 LYS 7 HG2 LYS 7 50.675 -2.153 -6.931 47 HG3 LYS 7 HG1 LYS 7 52.006 -1.202 -6.230 48 HD2 LYS 7 HD2 LYS 7 53.092 -3.322 -5.480 49 HD3 LYS 7 HD1 LYS 7 51.789 -4.244 -6.267 50 HE2 LYS 7 HE2 LYS 7 52.387 -3.065 -8.435 51 HE3 LYS 7 HE1 LYS 7 53.811 -2.396 -7.602 52 HZ1 LYS 7 HZ1 LYS 7 54.561 -4.634 -7.137 53 HZ2 LYS 7 HZ2 LYS 7 54.320 -4.445 -8.809 54 HZ3 LYS 7 HZ3 LYS 7 53.183 -5.295 -7.875 55 H LYS 8 HN LYS 8 50.773 -0.975 -2.292 56 HA LYS 8 HA LYS 8 48.721 -2.155 -0.776 57 HB2 LYS 8 HB2 LYS 8 50.703 0.021 -0.001 58 HB3 LYS 8 HB1 LYS 8 49.705 -0.885 1.162 59 HG2 LYS 8 HG2 LYS 8 50.700 -3.022 0.145 60 HG3 LYS 8 HG1 LYS 8 51.858 -1.968 -0.699 61 HD2 LYS 8 HD2 LYS 8 51.441 -2.082 2.323 62 HD3 LYS 8 HD1 LYS 8 52.792 -2.828 1.438 63 HE2 LYS 8 HE2 LYS 8 53.718 -0.779 2.154 64 HE3 LYS 8 HE1 LYS 8 53.188 -0.393 0.500 65 HZ1 LYS 8 HZ1 LYS 8 52.358 0.766 2.926 66 HZ2 LYS 8 HZ2 LYS 8 51.016 0.001 2.218 67 HZ3 LYS 8 HZ3 LYS 8 51.888 1.170 1.348 68 H ALA 9 HN ALA 9 49.308 1.179 0.116 69 HA ALA 9 HA ALA 9 46.860 2.266 -0.964 70 HB1 ALA 9 HB1 ALA 9 46.817 1.447 1.963 71 HB2 ALA 9 HB2 ALA 9 45.828 0.742 0.661 72 HB3 ALA 9 HB3 ALA 9 45.588 2.438 1.142 73 H ALA 10 HN ALA 10 48.575 3.789 -1.470 74 HA ALA 10 HA ALA 10 50.160 5.144 0.425 75 HB1 ALA 10 HB1 ALA 10 50.482 5.442 -1.957 76 HB2 ALA 10 HB2 ALA 10 50.144 7.028 -1.220 77 HB3 ALA 10 HB3 ALA 10 48.868 6.174 -2.122 78 H HIS 11 HN HIS 11 46.850 5.911 -0.715 79 HA HIS 11 HA HIS 11 46.599 8.224 1.021 80 HB2 HIS 11 HB2 HIS 11 44.136 7.974 0.450 81 HB3 HIS 11 HB1 HIS 11 45.225 8.119 -0.950 82 HD1 HIS 11 HD1 HIS 11 42.843 5.794 0.760 83 HD2 HIS 11 HD2 HIS 11 45.727 5.570 -2.292 84 HE1 HIS 11 HE1 HIS 11 42.438 3.617 -0.513 85 H ALA 12 HN ALA 12 47.150 7.601 3.117 86 HA ALA 12 HA ALA 12 45.928 5.319 4.416 87 HB1 ALA 12 HB1 ALA 12 47.254 7.795 5.575 88 HB2 ALA 12 HB2 ALA 12 48.061 6.261 5.168 89 HB3 ALA 12 HB3 ALA 12 46.858 6.316 6.479 90 H GLY 13 HN GLY 13 45.497 8.848 4.981 91 HA2 GLY 13 HA1 GLY 13 43.175 8.537 6.603 92 HA3 GLY 13 HA2 GLY 13 43.660 10.018 5.755 93 H LYS 14 HN LYS 14 42.709 10.591 3.841 94 HA LYS 14 HA LYS 14 41.039 8.745 2.340 95 HB2 LYS 14 HB2 LYS 14 39.601 9.187 4.363 96 HB3 LYS 14 HB1 LYS 14 39.586 10.909 3.908 97 HG2 LYS 14 HG2 LYS 14 38.591 10.344 1.724 98 HG3 LYS 14 HG1 LYS 14 38.643 8.612 2.135 99 HD2 LYS 14 HD2 LYS 14 37.169 9.066 4.104 100 HD3 LYS 14 HD1 LYS 14 37.060 10.770 3.599 101 HE2 LYS 14 HE2 LYS 14 35.981 10.164 1.521 102 HE3 LYS 14 HE1 LYS 14 36.285 8.434 1.805 103 HZ1 LYS 14 HZ1 LYS 14 34.703 8.342 3.459 104 HZ2 LYS 14 HZ2 LYS 14 33.985 9.437 2.377 105 HZ3 LYS 14 HZ3 LYS 14 34.756 10.006 3.780 106 H HIS 15 HN HIS 15 42.600 9.683 0.829 107 HA HIS 15 HA HIS 15 43.187 11.197 -0.829 108 HB2 HIS 15 HB2 HIS 15 40.292 12.104 -0.585 109 HB3 HIS 15 HB1 HIS 15 41.357 12.280 -2.000 110 HD1 HIS 15 HD1 HIS 15 42.392 9.826 -2.880 111 HD2 HIS 15 HD2 HIS 15 38.828 9.761 -0.648 112 HE1 HIS 15 HE1 HIS 15 41.236 7.598 -3.354 113 H ALA 16 HN ALA 16 44.655 12.466 0.293 114 HA ALA 16 HA ALA 16 45.468 14.408 1.267 115 HB1 ALA 16 HB1 ALA 16 42.972 15.714 0.139 116 HB2 ALA 16 HB2 ALA 16 44.412 15.325 -0.833 117 HB3 ALA 16 HB3 ALA 16 44.530 16.489 0.510 118 H GLY 17 HN GLY 17 44.453 12.902 3.153 119 HA2 GLY 17 HA1 GLY 17 42.261 14.166 4.604 120 HA3 GLY 17 HA2 GLY 17 43.300 12.845 5.173 121 H LYS 18 HN LYS 18 44.470 15.965 3.977 122 HA LYS 18 HA LYS 18 45.802 17.541 5.033 123 HB2 LYS 18 HB2 LYS 18 43.430 17.820 6.105 124 HB3 LYS 18 HB1 LYS 18 44.158 17.082 7.549 125 HG2 LYS 18 HG2 LYS 18 45.902 18.844 7.577 126 HG3 LYS 18 HG1 LYS 18 45.199 19.569 6.113 127 HD2 LYS 18 HD2 LYS 18 43.138 20.091 7.273 128 HD3 LYS 18 HD1 LYS 18 43.650 19.165 8.705 129 HE2 LYS 18 HE2 LYS 18 45.498 20.734 9.099 130 HE3 LYS 18 HE1 LYS 18 45.076 21.634 7.622 131 HZ1 LYS 18 HZ1 LYS 18 42.769 21.806 8.745 132 HZ2 LYS 18 HZ2 LYS 18 44.020 22.830 9.268 133 HZ3 LYS 18 HZ3 LYS 18 43.608 21.455 10.177 134 H ALA 19 HN ALA 19 46.663 14.771 5.139 135 HA ALA 19 HA ALA 19 48.795 15.065 7.063 136 HB1 ALA 19 HB1 ALA 19 46.637 13.030 7.723 137 HB2 ALA 19 HB2 ALA 19 47.030 14.484 8.668 138 HB3 ALA 19 HB3 ALA 19 48.216 13.164 8.529 139 H ALA 20 HN ALA 20 46.846 13.078 4.901 140 HA ALA 20 HA ALA 20 48.873 11.003 4.592 141 HB1 ALA 20 HB1 ALA 20 47.440 10.335 2.640 142 HB2 ALA 20 HB2 ALA 20 46.420 11.755 2.972 143 HB3 ALA 20 HB3 ALA 20 46.563 10.457 4.182 144 H LEU 21 HN LEU 21 47.490 12.809 1.866 145 HA LEU 21 HA LEU 21 50.082 12.806 0.518 146 HB2 LEU 21 HB2 LEU 21 47.647 14.405 -0.333 147 HB3 LEU 21 HB1 LEU 21 48.914 13.678 -1.349 148 HG LEU 21 HG LEU 21 46.805 12.188 0.276 149 HD11 LEU 21 HD11 LEU 21 46.018 11.457 -1.945 150 HD12 LEU 21 HD12 LEU 21 47.307 12.402 -2.726 151 HD13 LEU 21 HD13 LEU 21 46.009 13.234 -1.837 152 HD21 LEU 21 HD21 LEU 21 49.218 11.235 -1.324 153 HD22 LEU 21 HD22 LEU 21 47.827 10.178 -0.984 154 HD23 LEU 21 HD23 LEU 21 48.789 10.840 0.357 155 H THR 22 HN THR 22 48.890 14.692 2.979 156 HA THR 22 HA THR 22 49.510 17.345 2.136 157 HB THR 22 HB THR 22 49.903 16.245 4.950 158 HG1 THR 22 HG1 THR 22 47.533 17.472 4.199 159 HG21 THR 22 HG21 THR 22 50.735 18.521 4.612 160 HG22 THR 22 HG22 THR 22 49.226 18.577 5.556 161 HG23 THR 22 HG23 THR 22 49.208 18.990 3.825 162 H HIS 23 HN HIS 23 51.497 15.489 4.475 163 HA HIS 23 HA HIS 23 53.792 15.552 4.837 164 HB2 HIS 23 HB2 HIS 23 53.847 15.661 1.794 165 HB3 HIS 23 HB1 HIS 23 55.194 15.175 2.851 166 HD1 HIS 23 HD1 HIS 23 53.851 13.357 4.874 167 HD2 HIS 23 HD2 HIS 23 53.002 13.231 0.758 168 HE1 HIS 23 HE1 HIS 23 52.852 11.059 4.372 169 H TYR 24 HN TYR 24 55.935 16.744 4.109 170 HA TYR 24 HA TYR 24 55.502 19.528 4.697 171 HB2 TYR 24 HB2 TYR 24 57.973 18.174 3.538 172 HB3 TYR 24 HB1 TYR 24 57.915 19.764 4.336 173 HD1 TYR 24 HD1 TYR 24 56.979 19.846 6.763 174 HD2 TYR 24 HD2 TYR 24 58.305 16.214 4.842 175 HE1 TYR 24 HE1 TYR 24 57.233 18.759 8.991 176 HE2 TYR 24 HE2 TYR 24 58.559 15.129 7.070 177 HH TYR 24 HH TYR 24 58.225 16.991 10.059 178 H LEU 25 HN LEU 25 55.186 21.256 3.436 179 HA LEU 25 HA LEU 25 54.711 20.841 0.586 180 HB2 LEU 25 HB2 LEU 25 54.941 23.531 1.974 181 HB3 LEU 25 HB1 LEU 25 53.947 23.086 0.567 182 HG LEU 25 HG LEU 25 53.565 22.133 3.440 183 HD11 LEU 25 HD11 LEU 25 51.506 23.424 3.353 184 HD12 LEU 25 HD12 LEU 25 51.762 23.799 1.632 185 HD13 LEU 25 HD13 LEU 25 52.847 24.486 2.865 186 HD21 LEU 25 HD21 LEU 25 52.940 20.290 2.041 187 HD22 LEU 25 HD22 LEU 25 52.211 21.361 0.820 188 HD23 LEU 25 HD23 LEU 25 51.418 21.137 2.399 Start of MODEL 41 1 H1 GLY 1 HT1 GLY 1 52.560 6.364 -2.007 2 H2 GLY 1 HT2 GLY 1 53.994 7.067 -1.422 3 H3 GLY 1 HT3 GLY 1 53.672 5.422 -1.141 4 HA2 GLY 1 HA1 GLY 1 54.700 4.874 -2.952 5 HA3 GLY 1 HA2 GLY 1 53.511 5.826 -3.864 6 H TRP 2 HN TRP 2 56.752 5.580 -2.742 7 HA TRP 2 HA TRP 2 57.442 8.398 -3.173 8 HB2 TRP 2 HB2 TRP 2 58.681 6.954 -1.580 9 HB3 TRP 2 HB1 TRP 2 59.223 5.940 -2.939 10 HD1 TRP 2 HD1 TRP 2 59.331 9.680 -1.908 11 HE1 TRP 2 HE1 TRP 2 61.576 10.712 -2.719 12 HE3 TRP 2 HE3 TRP 2 61.267 5.603 -4.324 13 HZ2 TRP 2 HZ2 TRP 2 63.882 9.854 -4.216 14 HZ3 TRP 2 HZ3 TRP 2 63.490 5.732 -5.437 15 HH2 TRP 2 HH2 TRP 2 64.798 7.852 -5.384 16 H GLY 3 HN GLY 3 56.357 8.408 -5.359 17 HA2 GLY 3 HA1 GLY 3 56.491 8.344 -7.674 18 HA3 GLY 3 HA2 GLY 3 58.215 8.668 -7.407 19 H SER 4 HN SER 4 55.823 6.001 -7.444 20 HA SER 4 HA SER 4 57.531 4.432 -9.213 21 HB2 SER 4 HB2 SER 4 57.905 2.549 -7.663 22 HB3 SER 4 HB1 SER 4 58.701 4.027 -7.078 23 HG SER 4 HG SER 4 57.260 4.181 -5.493 24 H PHE 5 HN PHE 5 54.846 4.476 -6.862 25 HA PHE 5 HA PHE 5 52.748 3.486 -6.952 26 HB2 PHE 5 HB2 PHE 5 52.582 5.034 -8.895 27 HB3 PHE 5 HB1 PHE 5 53.172 3.734 -9.957 28 HD1 PHE 5 HD1 PHE 5 50.386 4.815 -7.732 29 HD2 PHE 5 HD2 PHE 5 51.744 1.877 -10.588 30 HE1 PHE 5 HE1 PHE 5 48.069 3.913 -7.906 31 HE2 PHE 5 HE2 PHE 5 49.427 0.975 -10.763 32 HZ PHE 5 HZ PHE 5 47.587 2.004 -9.433 33 H PHE 6 HN PHE 6 53.203 1.469 -6.088 34 HA PHE 6 HA PHE 6 54.286 -0.678 -7.731 35 HB2 PHE 6 HB2 PHE 6 54.493 -0.509 -5.219 36 HB3 PHE 6 HB1 PHE 6 52.761 -0.902 -5.108 37 HD1 PHE 6 HD1 PHE 6 52.048 -3.173 -5.174 38 HD2 PHE 6 HD2 PHE 6 56.012 -2.141 -6.540 39 HE1 PHE 6 HE1 PHE 6 52.601 -5.592 -5.401 40 HE2 PHE 6 HE2 PHE 6 56.562 -4.560 -6.767 41 HZ PHE 6 HZ PHE 6 54.871 -6.286 -6.160 42 H LYS 7 HN LYS 7 51.159 -0.655 -5.971 43 HA LYS 7 HA LYS 7 49.624 -1.141 -8.396 44 HB2 LYS 7 HB2 LYS 7 50.816 -3.363 -7.987 45 HB3 LYS 7 HB1 LYS 7 49.859 -3.501 -6.492 46 HG2 LYS 7 HG2 LYS 7 47.780 -3.110 -7.973 47 HG3 LYS 7 HG1 LYS 7 48.854 -3.387 -9.364 48 HD2 LYS 7 HD2 LYS 7 48.347 -5.326 -7.064 49 HD3 LYS 7 HD1 LYS 7 47.738 -5.486 -8.728 50 HE2 LYS 7 HE2 LYS 7 50.238 -5.383 -9.445 51 HE3 LYS 7 HE1 LYS 7 50.597 -5.702 -7.731 52 HZ1 LYS 7 HZ1 LYS 7 50.473 -7.759 -8.964 53 HZ2 LYS 7 HZ2 LYS 7 48.913 -7.384 -9.519 54 HZ3 LYS 7 HZ3 LYS 7 49.182 -7.678 -7.868 55 H LYS 8 HN LYS 8 49.288 -2.493 -5.085 56 HA LYS 8 HA LYS 8 46.600 -1.377 -4.873 57 HB2 LYS 8 HB2 LYS 8 46.669 -2.323 -2.577 58 HB3 LYS 8 HB1 LYS 8 47.157 -3.511 -3.809 59 HG2 LYS 8 HG2 LYS 8 49.554 -2.972 -3.335 60 HG3 LYS 8 HG1 LYS 8 49.025 -1.870 -2.041 61 HD2 LYS 8 HD2 LYS 8 48.012 -3.690 -0.804 62 HD3 LYS 8 HD1 LYS 8 48.274 -4.821 -2.153 63 HE2 LYS 8 HE2 LYS 8 49.969 -5.006 -0.266 64 HE3 LYS 8 HE1 LYS 8 50.673 -4.716 -1.875 65 HZ1 LYS 8 HZ1 LYS 8 51.315 -3.275 0.239 66 HZ2 LYS 8 HZ2 LYS 8 49.976 -2.367 -0.280 67 HZ3 LYS 8 HZ3 LYS 8 51.289 -2.622 -1.326 68 H ALA 9 HN ALA 9 45.865 0.059 -3.188 69 HA ALA 9 HA ALA 9 47.752 1.662 -1.684 70 HB1 ALA 9 HB1 ALA 9 46.536 2.873 -4.189 71 HB2 ALA 9 HB2 ALA 9 48.266 2.650 -3.833 72 HB3 ALA 9 HB3 ALA 9 47.304 3.809 -2.885 73 H ALA 10 HN ALA 10 46.742 2.739 -0.064 74 HA ALA 10 HA ALA 10 43.970 3.582 -0.251 75 HB1 ALA 10 HB1 ALA 10 43.034 2.029 1.401 76 HB2 ALA 10 HB2 ALA 10 44.581 1.147 1.462 77 HB3 ALA 10 HB3 ALA 10 43.614 1.149 -0.033 78 H HIS 11 HN HIS 11 44.809 5.530 0.495 79 HA HIS 11 HA HIS 11 44.961 5.747 3.384 80 HB2 HIS 11 HB2 HIS 11 47.328 6.744 3.350 81 HB3 HIS 11 HB1 HIS 11 47.209 4.973 3.211 82 HD1 HIS 11 HD1 HIS 11 48.932 4.203 1.585 83 HD2 HIS 11 HD2 HIS 11 47.016 7.722 0.303 84 HE1 HIS 11 HE1 HIS 11 49.853 4.770 -0.728 85 H ALA 12 HN ALA 12 43.607 6.826 0.939 86 HA ALA 12 HA ALA 12 44.505 9.510 0.466 87 HB1 ALA 12 HB1 ALA 12 42.941 8.345 -1.018 88 HB2 ALA 12 HB2 ALA 12 42.231 9.867 -0.429 89 HB3 ALA 12 HB3 ALA 12 41.719 8.314 0.273 90 H GLY 13 HN GLY 13 44.735 11.030 1.962 91 HA2 GLY 13 HA1 GLY 13 44.232 12.425 3.736 92 HA3 GLY 13 HA2 GLY 13 42.524 12.052 3.429 93 H LYS 14 HN LYS 14 45.485 10.768 4.977 94 HA LYS 14 HA LYS 14 44.039 10.174 7.417 95 HB2 LYS 14 HB2 LYS 14 43.276 8.296 5.876 96 HB3 LYS 14 HB1 LYS 14 44.967 7.741 5.845 97 HG2 LYS 14 HG2 LYS 14 44.918 7.639 8.363 98 HG3 LYS 14 HG1 LYS 14 43.183 8.029 8.302 99 HD2 LYS 14 HD2 LYS 14 42.818 6.014 6.859 100 HD3 LYS 14 HD1 LYS 14 44.540 5.604 7.045 101 HE2 LYS 14 HE2 LYS 14 42.490 5.845 9.289 102 HE3 LYS 14 HE1 LYS 14 43.208 4.338 8.674 103 HZ1 LYS 14 HZ1 LYS 14 44.756 6.585 9.867 104 HZ2 LYS 14 HZ2 LYS 14 45.364 5.072 9.388 105 HZ3 LYS 14 HZ3 LYS 14 44.295 5.184 10.705 106 H HIS 15 HN HIS 15 46.844 9.594 5.316 107 HA HIS 15 HA HIS 15 48.652 10.315 7.507 108 HB2 HIS 15 HB2 HIS 15 48.233 7.924 8.021 109 HB3 HIS 15 HB1 HIS 15 48.754 7.488 6.375 110 HD1 HIS 15 HD1 HIS 15 50.382 10.128 8.610 111 HD2 HIS 15 HD2 HIS 15 51.205 6.302 7.068 112 HE1 HIS 15 HE1 HIS 15 52.832 9.610 9.123 113 H ALA 16 HN ALA 16 47.821 9.723 4.241 114 HA ALA 16 HA ALA 16 50.463 9.739 3.083 115 HB1 ALA 16 HB1 ALA 16 49.267 10.342 0.994 116 HB2 ALA 16 HB2 ALA 16 47.778 10.588 1.941 117 HB3 ALA 16 HB3 ALA 16 48.511 8.969 1.837 118 H GLY 17 HN GLY 17 48.422 12.183 4.464 119 HA2 GLY 17 HA1 GLY 17 49.013 14.387 4.971 120 HA3 GLY 17 HA2 GLY 17 50.529 14.188 4.072 121 H LYS 18 HN LYS 18 48.514 13.060 1.880 122 HA LYS 18 HA LYS 18 48.621 15.257 0.140 123 HB2 LYS 18 HB2 LYS 18 48.005 12.892 -0.460 124 HB3 LYS 18 HB1 LYS 18 46.393 13.184 0.235 125 HG2 LYS 18 HG2 LYS 18 45.932 14.930 -1.376 126 HG3 LYS 18 HG1 LYS 18 47.610 14.903 -1.969 127 HD2 LYS 18 HD2 LYS 18 47.282 12.543 -2.715 128 HD3 LYS 18 HD1 LYS 18 45.584 12.633 -2.188 129 HE2 LYS 18 HE2 LYS 18 46.861 14.485 -4.247 130 HE3 LYS 18 HE1 LYS 18 45.859 13.068 -4.641 131 HZ1 LYS 18 HZ1 LYS 18 44.439 14.525 -2.766 132 HZ2 LYS 18 HZ2 LYS 18 44.102 14.379 -4.425 133 HZ3 LYS 18 HZ3 LYS 18 45.045 15.673 -3.858 134 H ALA 19 HN ALA 19 46.684 14.836 2.938 135 HA ALA 19 HA ALA 19 45.537 17.477 2.663 136 HB1 ALA 19 HB1 ALA 19 43.175 16.840 2.527 137 HB2 ALA 19 HB2 ALA 19 43.632 15.125 2.383 138 HB3 ALA 19 HB3 ALA 19 44.058 16.273 1.090 139 H ALA 20 HN ALA 20 46.151 14.507 4.256 140 HA ALA 20 HA ALA 20 44.568 15.036 6.648 141 HB1 ALA 20 HB1 ALA 20 45.151 12.764 6.124 142 HB2 ALA 20 HB2 ALA 20 46.012 13.215 7.616 143 HB3 ALA 20 HB3 ALA 20 46.884 13.165 6.064 144 H LEU 21 HN LEU 21 48.104 14.563 6.567 145 HA LEU 21 HA LEU 21 48.514 16.276 8.839 146 HB2 LEU 21 HB2 LEU 21 50.632 15.609 6.768 147 HB3 LEU 21 HB1 LEU 21 50.834 15.885 8.514 148 HG LEU 21 HG LEU 21 49.452 13.516 7.180 149 HD11 LEU 21 HD11 LEU 21 51.866 13.626 9.034 150 HD12 LEU 21 HD12 LEU 21 51.987 13.592 7.259 151 HD13 LEU 21 HD13 LEU 21 51.261 12.219 8.128 152 HD21 LEU 21 HD21 LEU 21 49.622 14.396 10.093 153 HD22 LEU 21 HD22 LEU 21 49.326 12.702 9.632 154 HD23 LEU 21 HD23 LEU 21 48.170 13.966 9.156 155 H THR 22 HN THR 22 47.812 16.985 5.604 156 HA THR 22 HA THR 22 47.973 18.926 4.337 157 HB THR 22 HB THR 22 47.670 21.076 5.651 158 HG1 THR 22 HG1 THR 22 47.075 19.993 7.980 159 HG21 THR 22 HG21 THR 22 45.421 20.469 6.467 160 HG22 THR 22 HG22 THR 22 45.858 18.744 6.408 161 HG23 THR 22 HG23 THR 22 45.754 19.689 4.903 162 H HIS 23 HN HIS 23 50.288 18.057 3.988 163 HA HIS 23 HA HIS 23 52.455 19.471 5.298 164 HB2 HIS 23 HB2 HIS 23 52.283 17.876 2.713 165 HB3 HIS 23 HB1 HIS 23 53.798 18.573 3.332 166 HD1 HIS 23 HD1 HIS 23 52.651 15.410 3.130 167 HD2 HIS 23 HD2 HIS 23 53.568 17.754 6.494 168 HE1 HIS 23 HE1 HIS 23 53.040 13.816 5.087 169 H TYR 24 HN TYR 24 54.059 20.789 3.994 170 HA TYR 24 HA TYR 24 54.452 22.838 2.974 171 HB2 TYR 24 HB2 TYR 24 54.189 21.433 0.964 172 HB3 TYR 24 HB1 TYR 24 52.434 21.731 0.978 173 HD1 TYR 24 HD1 TYR 24 55.775 23.418 0.725 174 HD2 TYR 24 HD2 TYR 24 51.525 23.738 0.037 175 HE1 TYR 24 HE1 TYR 24 56.137 25.539 -0.531 176 HE2 TYR 24 HE2 TYR 24 51.889 25.859 -1.220 177 HH TYR 24 HH TYR 24 53.510 27.600 -1.476 178 H LEU 25 HN LEU 25 53.624 24.218 4.544 179 HA LEU 25 HA LEU 25 52.156 25.763 5.453 180 HB2 LEU 25 HB2 LEU 25 52.596 26.962 3.410 181 HB3 LEU 25 HB1 LEU 25 51.468 25.942 2.495 182 HG LEU 25 HG LEU 25 49.556 26.886 3.643 183 HD11 LEU 25 HD11 LEU 25 50.005 28.777 5.361 184 HD12 LEU 25 HD12 LEU 25 51.661 28.130 5.456 185 HD13 LEU 25 HD13 LEU 25 50.275 27.107 5.908 186 HD21 LEU 25 HD21 LEU 25 50.679 28.222 1.798 187 HD22 LEU 25 HD22 LEU 25 51.471 29.185 3.068 188 HD23 LEU 25 HD23 LEU 25 49.697 29.191 2.921 Start of MODEL 42 1 H1 GLY 1 HT1 GLY 1 58.978 1.984 -14.576 2 H2 GLY 1 HT2 GLY 1 60.655 1.752 -14.717 3 H3 GLY 1 HT3 GLY 1 60.024 3.316 -14.505 4 HA2 GLY 1 HA1 GLY 1 60.286 3.114 -12.374 5 HA3 GLY 1 HA2 GLY 1 59.041 1.852 -12.423 6 H TRP 2 HN TRP 2 61.544 2.216 -10.787 7 HA TRP 2 HA TRP 2 63.343 0.082 -11.688 8 HB2 TRP 2 HB2 TRP 2 63.137 1.503 -9.003 9 HB3 TRP 2 HB1 TRP 2 64.485 0.478 -9.549 10 HD1 TRP 2 HD1 TRP 2 62.690 3.767 -10.480 11 HE1 TRP 2 HE1 TRP 2 64.359 5.328 -11.719 12 HE3 TRP 2 HE3 TRP 2 66.685 0.584 -10.799 13 HZ2 TRP 2 HZ2 TRP 2 67.062 5.182 -12.704 14 HZ3 TRP 2 HZ3 TRP 2 68.800 1.315 -11.892 15 HH2 TRP 2 HH2 TRP 2 68.991 3.609 -12.844 16 H GLY 3 HN GLY 3 60.509 -0.634 -11.367 17 HA2 GLY 3 HA1 GLY 3 59.451 -2.591 -10.681 18 HA3 GLY 3 HA2 GLY 3 60.932 -3.079 -9.833 19 H SER 4 HN SER 4 61.255 -0.840 -8.148 20 HA SER 4 HA SER 4 59.336 -1.560 -6.067 21 HB2 SER 4 HB2 SER 4 60.591 0.058 -4.698 22 HB3 SER 4 HB1 SER 4 61.699 -1.033 -5.560 23 HG SER 4 HG SER 4 61.589 0.756 -7.238 24 H PHE 5 HN PHE 5 57.377 -0.946 -7.262 25 HA PHE 5 HA PHE 5 56.870 1.801 -7.969 26 HB2 PHE 5 HB2 PHE 5 54.820 -0.300 -7.172 27 HB3 PHE 5 HB1 PHE 5 54.573 1.121 -8.215 28 HD1 PHE 5 HD1 PHE 5 55.774 -2.333 -8.047 29 HD2 PHE 5 HD2 PHE 5 55.730 1.254 -10.449 30 HE1 PHE 5 HE1 PHE 5 56.465 -3.659 -10.041 31 HE2 PHE 5 HE2 PHE 5 56.421 -0.072 -12.442 32 HZ PHE 5 HZ PHE 5 56.765 -2.532 -12.244 33 H PHE 6 HN PHE 6 55.554 3.360 -6.934 34 HA PHE 6 HA PHE 6 56.020 3.509 -4.065 35 HB2 PHE 6 HB2 PHE 6 54.351 5.231 -5.941 36 HB3 PHE 6 HB1 PHE 6 54.709 5.626 -4.243 37 HD1 PHE 6 HD1 PHE 6 57.034 6.117 -3.520 38 HD2 PHE 6 HD2 PHE 6 56.061 5.402 -7.664 39 HE1 PHE 6 HE1 PHE 6 59.229 7.080 -4.202 40 HE2 PHE 6 HE2 PHE 6 58.255 6.365 -8.345 41 HZ PHE 6 HZ PHE 6 59.855 7.169 -6.612 42 H LYS 7 HN LYS 7 53.393 2.487 -6.155 43 HA LYS 7 HA LYS 7 51.307 1.606 -5.665 44 HB2 LYS 7 HB2 LYS 7 52.824 0.070 -4.321 45 HB3 LYS 7 HB1 LYS 7 52.431 1.059 -2.894 46 HG2 LYS 7 HG2 LYS 7 49.993 0.621 -3.323 47 HG3 LYS 7 HG1 LYS 7 50.461 -0.477 -4.644 48 HD2 LYS 7 HD2 LYS 7 51.840 -1.781 -2.978 49 HD3 LYS 7 HD1 LYS 7 51.161 -0.759 -1.690 50 HE2 LYS 7 HE2 LYS 7 49.782 -2.715 -1.746 51 HE3 LYS 7 HE1 LYS 7 48.840 -1.449 -2.568 52 HZ1 LYS 7 HZ1 LYS 7 50.247 -2.481 -4.601 53 HZ2 LYS 7 HZ2 LYS 7 48.686 -2.994 -4.171 54 HZ3 LYS 7 HZ3 LYS 7 50.046 -3.864 -3.640 55 H LYS 8 HN LYS 8 50.258 3.642 -5.809 56 HA LYS 8 HA LYS 8 49.989 5.412 -3.553 57 HB2 LYS 8 HB2 LYS 8 48.229 5.017 -6.005 58 HB3 LYS 8 HB1 LYS 8 48.087 6.369 -4.856 59 HG2 LYS 8 HG2 LYS 8 50.445 7.009 -5.337 60 HG3 LYS 8 HG1 LYS 8 50.549 5.684 -6.522 61 HD2 LYS 8 HD2 LYS 8 48.664 6.695 -7.798 62 HD3 LYS 8 HD1 LYS 8 48.614 8.040 -6.634 63 HE2 LYS 8 HE2 LYS 8 50.831 8.766 -7.247 64 HE3 LYS 8 HE1 LYS 8 51.110 7.295 -8.210 65 HZ1 LYS 8 HZ1 LYS 8 49.104 9.422 -8.776 66 HZ2 LYS 8 HZ2 LYS 8 49.277 7.985 -9.665 67 HZ3 LYS 8 HZ3 LYS 8 50.532 9.130 -9.642 68 H ALA 9 HN ALA 9 49.202 4.695 -1.661 69 HA ALA 9 HA ALA 9 47.257 2.595 -1.425 70 HB1 ALA 9 HB1 ALA 9 47.975 4.809 0.528 71 HB2 ALA 9 HB2 ALA 9 48.791 3.232 0.390 72 HB3 ALA 9 HB3 ALA 9 47.094 3.314 0.921 73 H ALA 10 HN ALA 10 45.211 3.192 0.078 74 HA ALA 10 HA ALA 10 43.413 4.576 -1.712 75 HB1 ALA 10 HB1 ALA 10 41.739 4.194 0.041 76 HB2 ALA 10 HB2 ALA 10 43.027 3.751 1.188 77 HB3 ALA 10 HB3 ALA 10 42.708 2.728 -0.235 78 H HIS 11 HN HIS 11 45.127 5.454 1.268 79 HA HIS 11 HA HIS 11 44.812 8.286 0.660 80 HB2 HIS 11 HB2 HIS 11 43.600 8.854 2.774 81 HB3 HIS 11 HB1 HIS 11 42.598 7.942 1.619 82 HD1 HIS 11 HD1 HIS 11 44.980 7.138 4.544 83 HD2 HIS 11 HD2 HIS 11 41.335 5.853 2.888 84 HE1 HIS 11 HE1 HIS 11 44.120 5.217 5.992 85 H ALA 12 HN ALA 12 46.375 9.479 1.626 86 HA ALA 12 HA ALA 12 47.673 8.594 4.092 87 HB1 ALA 12 HB1 ALA 12 49.294 8.514 1.524 88 HB2 ALA 12 HB2 ALA 12 48.692 7.075 2.383 89 HB3 ALA 12 HB3 ALA 12 49.868 8.156 3.169 90 H GLY 13 HN GLY 13 47.440 10.583 4.969 91 HA2 GLY 13 HA1 GLY 13 47.956 12.801 5.370 92 HA3 GLY 13 HA2 GLY 13 49.319 12.614 4.248 93 H LYS 14 HN LYS 14 45.751 12.469 3.855 94 HA LYS 14 HA LYS 14 45.686 14.976 2.385 95 HB2 LYS 14 HB2 LYS 14 46.746 13.589 0.653 96 HB3 LYS 14 HB1 LYS 14 45.437 12.392 0.791 97 HG2 LYS 14 HG2 LYS 14 43.794 13.989 0.001 98 HG3 LYS 14 HG1 LYS 14 44.973 15.320 0.086 99 HD2 LYS 14 HD2 LYS 14 46.320 14.302 -1.680 100 HD3 LYS 14 HD1 LYS 14 45.262 12.870 -1.705 101 HE2 LYS 14 HE2 LYS 14 44.734 14.481 -3.547 102 HE3 LYS 14 HE1 LYS 14 43.364 14.242 -2.436 103 HZ1 LYS 14 HZ1 LYS 14 43.739 16.292 -1.425 104 HZ2 LYS 14 HZ2 LYS 14 43.982 16.619 -3.074 105 HZ3 LYS 14 HZ3 LYS 14 45.314 16.436 -2.037 106 H HIS 15 HN HIS 15 43.829 12.065 1.539 107 HA HIS 15 HA HIS 15 41.333 13.412 2.132 108 HB2 HIS 15 HB2 HIS 15 41.578 11.665 0.379 109 HB3 HIS 15 HB1 HIS 15 41.876 10.455 1.650 110 HD1 HIS 15 HD1 HIS 15 39.876 10.154 3.469 111 HD2 HIS 15 HD2 HIS 15 38.885 12.070 -0.140 112 HE1 HIS 15 HE1 HIS 15 37.329 10.151 3.279 113 H ALA 16 HN ALA 16 43.619 11.710 4.035 114 HA ALA 16 HA ALA 16 41.859 10.512 5.963 115 HB1 ALA 16 HB1 ALA 16 44.695 11.563 6.245 116 HB2 ALA 16 HB2 ALA 16 44.214 9.906 5.812 117 HB3 ALA 16 HB3 ALA 16 43.859 10.540 7.437 118 H GLY 17 HN GLY 17 43.602 13.652 5.944 119 HA2 GLY 17 HA1 GLY 17 42.957 15.671 6.904 120 HA3 GLY 17 HA2 GLY 17 41.406 14.940 7.361 121 H LYS 18 HN LYS 18 42.637 12.698 8.791 122 HA LYS 18 HA LYS 18 42.781 13.901 11.386 123 HB2 LYS 18 HB2 LYS 18 43.670 11.169 10.383 124 HB3 LYS 18 HB1 LYS 18 43.598 11.633 12.102 125 HG2 LYS 18 HG2 LYS 18 41.215 11.992 11.994 126 HG3 LYS 18 HG1 LYS 18 41.214 11.847 10.219 127 HD2 LYS 18 HD2 LYS 18 41.801 9.498 10.339 128 HD3 LYS 18 HD1 LYS 18 42.065 9.603 12.097 129 HE2 LYS 18 HE2 LYS 18 39.394 10.174 10.740 130 HE3 LYS 18 HE1 LYS 18 39.832 8.604 11.455 131 HZ1 LYS 18 HZ1 LYS 18 39.017 11.035 12.744 132 HZ2 LYS 18 HZ2 LYS 18 40.455 10.413 13.398 133 HZ3 LYS 18 HZ3 LYS 18 39.056 9.451 13.347 134 H ALA 19 HN ALA 19 45.002 14.024 8.901 135 HA ALA 19 HA ALA 19 47.077 15.043 10.684 136 HB1 ALA 19 HB1 ALA 19 48.814 13.428 10.103 137 HB2 ALA 19 HB2 ALA 19 47.649 12.491 9.136 138 HB3 ALA 19 HB3 ALA 19 47.456 12.603 10.902 139 H ALA 20 HN ALA 20 45.599 16.214 8.644 140 HA ALA 20 HA ALA 20 47.715 17.263 6.998 141 HB1 ALA 20 HB1 ALA 20 45.798 15.307 5.691 142 HB2 ALA 20 HB2 ALA 20 47.574 15.207 5.755 143 HB3 ALA 20 HB3 ALA 20 46.786 16.480 4.791 144 H LEU 21 HN LEU 21 44.600 16.693 5.519 145 HA LEU 21 HA LEU 21 42.854 18.124 5.046 146 HB2 LEU 21 HB2 LEU 21 42.883 18.065 7.684 147 HB3 LEU 21 HB1 LEU 21 43.457 19.737 7.545 148 HG LEU 21 HG LEU 21 40.889 18.608 6.339 149 HD11 LEU 21 HD11 LEU 21 39.762 20.014 7.991 150 HD12 LEU 21 HD12 LEU 21 41.323 20.650 8.564 151 HD13 LEU 21 HD13 LEU 21 40.907 18.939 8.829 152 HD21 LEU 21 HD21 LEU 21 41.585 20.318 4.841 153 HD22 LEU 21 HD22 LEU 21 42.257 21.323 6.149 154 HD23 LEU 21 HD23 LEU 21 40.493 21.165 5.958 155 H THR 22 HN THR 22 44.927 20.489 6.791 156 HA THR 22 HA THR 22 44.669 22.385 4.594 157 HB THR 22 HB THR 22 46.600 22.470 6.955 158 HG1 THR 22 HG1 THR 22 44.381 22.245 7.556 159 HG21 THR 22 HG21 THR 22 45.517 24.541 5.008 160 HG22 THR 22 HG22 THR 22 47.215 24.118 5.330 161 HG23 THR 22 HG23 THR 22 46.264 24.981 6.561 162 H HIS 23 HN HIS 23 46.685 19.711 5.241 163 HA HIS 23 HA HIS 23 48.549 18.883 4.149 164 HB2 HIS 23 HB2 HIS 23 48.173 21.030 2.036 165 HB3 HIS 23 HB1 HIS 23 48.846 19.393 1.851 166 HD1 HIS 23 HD1 HIS 23 47.028 17.381 2.497 167 HD2 HIS 23 HD2 HIS 23 45.509 21.127 1.339 168 HE1 HIS 23 HE1 HIS 23 44.584 17.040 1.835 169 H TYR 24 HN TYR 24 50.703 19.113 4.396 170 HA TYR 24 HA TYR 24 51.705 21.420 5.759 171 HB2 TYR 24 HB2 TYR 24 52.679 19.103 5.856 172 HB3 TYR 24 HB1 TYR 24 53.310 19.351 4.210 173 HD1 TYR 24 HD1 TYR 24 55.096 20.982 3.767 174 HD2 TYR 24 HD2 TYR 24 53.595 20.342 7.763 175 HE1 TYR 24 HE1 TYR 24 57.063 22.194 4.700 176 HE2 TYR 24 HE2 TYR 24 55.563 21.553 8.696 177 HH TYR 24 HH TYR 24 57.433 23.576 6.960 178 H LEU 25 HN LEU 25 51.724 20.442 2.343 179 HA LEU 25 HA LEU 25 52.187 21.678 0.441 180 HB2 LEU 25 HB2 LEU 25 50.799 23.402 1.886 181 HB3 LEU 25 HB1 LEU 25 52.359 24.228 2.075 182 HG LEU 25 HG LEU 25 50.995 23.520 -0.566 183 HD11 LEU 25 HD11 LEU 25 49.954 25.409 0.642 184 HD12 LEU 25 HD12 LEU 25 50.821 25.987 -0.801 185 HD13 LEU 25 HD13 LEU 25 51.546 26.186 0.812 186 HD21 LEU 25 HD21 LEU 25 52.911 25.056 -1.447 187 HD22 LEU 25 HD22 LEU 25 53.329 23.384 -1.010 188 HD23 LEU 25 HD23 LEU 25 53.713 24.719 0.106 Start of MODEL 43 1 H1 GLY 1 HT1 GLY 1 59.938 1.920 -7.643 2 H2 GLY 1 HT2 GLY 1 61.218 0.884 -7.220 3 H3 GLY 1 HT3 GLY 1 59.642 0.565 -6.670 4 HA2 GLY 1 HA1 GLY 1 59.163 0.607 -9.229 5 HA3 GLY 1 HA2 GLY 1 60.864 0.101 -9.250 6 H TRP 2 HN TRP 2 61.482 -1.880 -8.368 7 HA TRP 2 HA TRP 2 59.540 -3.970 -8.614 8 HB2 TRP 2 HB2 TRP 2 62.228 -4.008 -7.182 9 HB3 TRP 2 HB1 TRP 2 61.307 -5.432 -7.728 10 HD1 TRP 2 HD1 TRP 2 63.267 -2.418 -9.075 11 HE1 TRP 2 HE1 TRP 2 63.947 -2.860 -11.545 12 HE3 TRP 2 HE3 TRP 2 60.711 -6.786 -9.846 13 HZ2 TRP 2 HZ2 TRP 2 63.432 -4.854 -13.558 14 HZ3 TRP 2 HZ3 TRP 2 60.820 -7.942 -12.048 15 HH2 TRP 2 HH2 TRP 2 62.178 -6.980 -13.904 16 H GLY 3 HN GLY 3 57.813 -3.114 -7.245 17 HA2 GLY 3 HA1 GLY 3 57.556 -4.499 -4.824 18 HA3 GLY 3 HA2 GLY 3 58.184 -2.896 -4.391 19 H SER 4 HN SER 4 56.819 -1.654 -6.740 20 HA SER 4 HA SER 4 53.962 -2.085 -6.339 21 HB2 SER 4 HB2 SER 4 54.511 -0.855 -4.251 22 HB3 SER 4 HB1 SER 4 55.195 0.466 -5.224 23 HG SER 4 HG SER 4 52.577 -0.196 -4.703 24 H PHE 5 HN PHE 5 55.392 -2.226 -8.629 25 HA PHE 5 HA PHE 5 55.721 0.220 -10.063 26 HB2 PHE 5 HB2 PHE 5 56.649 -1.931 -10.824 27 HB3 PHE 5 HB1 PHE 5 55.005 -2.553 -11.099 28 HD1 PHE 5 HD1 PHE 5 57.573 -0.122 -12.246 29 HD2 PHE 5 HD2 PHE 5 53.671 -1.809 -12.997 30 HE1 PHE 5 HE1 PHE 5 57.563 0.909 -14.515 31 HE2 PHE 5 HE2 PHE 5 53.663 -0.779 -15.266 32 HZ PHE 5 HZ PHE 5 55.640 0.518 -16.051 33 H PHE 6 HN PHE 6 52.905 -1.872 -9.524 34 HA PHE 6 HA PHE 6 51.179 -0.712 -11.472 35 HB2 PHE 6 HB2 PHE 6 50.453 -1.837 -8.737 36 HB3 PHE 6 HB1 PHE 6 49.350 -1.627 -10.118 37 HD1 PHE 6 HD1 PHE 6 52.022 -3.678 -8.654 38 HD2 PHE 6 HD2 PHE 6 49.685 -2.961 -12.210 39 HE1 PHE 6 HE1 PHE 6 52.724 -5.890 -9.561 40 HE2 PHE 6 HE2 PHE 6 50.385 -5.173 -13.117 41 HZ PHE 6 HZ PHE 6 51.976 -6.596 -11.832 42 H LYS 7 HN LYS 7 48.959 0.290 -10.373 43 HA LYS 7 HA LYS 7 49.559 3.024 -9.978 44 HB2 LYS 7 HB2 LYS 7 47.114 1.479 -9.031 45 HB3 LYS 7 HB1 LYS 7 47.219 3.245 -9.232 46 HG2 LYS 7 HG2 LYS 7 47.883 2.782 -11.676 47 HG3 LYS 7 HG1 LYS 7 47.375 1.100 -11.388 48 HD2 LYS 7 HD2 LYS 7 45.646 3.597 -11.087 49 HD3 LYS 7 HD1 LYS 7 45.508 2.361 -12.359 50 HE2 LYS 7 HE2 LYS 7 45.174 0.672 -10.401 51 HE3 LYS 7 HE1 LYS 7 44.868 2.115 -9.402 52 HZ1 LYS 7 HZ1 LYS 7 42.845 2.272 -10.256 53 HZ2 LYS 7 HZ2 LYS 7 43.093 0.817 -11.097 54 HZ3 LYS 7 HZ3 LYS 7 43.448 2.302 -11.840 55 H LYS 8 HN LYS 8 48.994 4.354 -8.041 56 HA LYS 8 HA LYS 8 49.056 3.185 -5.410 57 HB2 LYS 8 HB2 LYS 8 51.350 4.018 -4.768 58 HB3 LYS 8 HB1 LYS 8 51.360 2.624 -5.874 59 HG2 LYS 8 HG2 LYS 8 51.669 4.154 -7.801 60 HG3 LYS 8 HG1 LYS 8 51.675 5.546 -6.690 61 HD2 LYS 8 HD2 LYS 8 53.672 4.681 -5.557 62 HD3 LYS 8 HD1 LYS 8 53.643 3.219 -6.571 63 HE2 LYS 8 HE2 LYS 8 54.011 4.562 -8.588 64 HE3 LYS 8 HE1 LYS 8 53.935 6.062 -7.633 65 HZ1 LYS 8 HZ1 LYS 8 55.803 4.308 -6.461 66 HZ2 LYS 8 HZ2 LYS 8 56.071 5.838 -7.152 67 HZ3 LYS 8 HZ3 LYS 8 56.158 4.441 -8.116 68 H ALA 9 HN ALA 9 49.752 4.978 -3.743 69 HA ALA 9 HA ALA 9 49.507 7.729 -4.604 70 HB1 ALA 9 HB1 ALA 9 47.054 6.535 -3.271 71 HB2 ALA 9 HB2 ALA 9 47.168 6.947 -4.999 72 HB3 ALA 9 HB3 ALA 9 47.287 8.227 -3.767 73 H ALA 10 HN ALA 10 49.547 5.208 -2.205 74 HA ALA 10 HA ALA 10 50.139 5.221 0.041 75 HB1 ALA 10 HB1 ALA 10 52.239 6.027 -1.110 76 HB2 ALA 10 HB2 ALA 10 52.082 6.515 0.594 77 HB3 ALA 10 HB3 ALA 10 51.743 7.686 -0.704 78 H HIS 11 HN HIS 11 50.979 7.624 1.556 79 HA HIS 11 HA HIS 11 48.693 9.439 1.582 80 HB2 HIS 11 HB2 HIS 11 48.014 8.753 3.954 81 HB3 HIS 11 HB1 HIS 11 47.514 7.654 2.647 82 HD1 HIS 11 HD1 HIS 11 50.243 8.044 5.308 83 HD2 HIS 11 HD2 HIS 11 48.550 5.073 2.858 84 HE1 HIS 11 HE1 HIS 11 51.223 5.801 6.044 85 H ALA 12 HN ALA 12 51.514 9.710 1.366 86 HA ALA 12 HA ALA 12 52.611 10.441 3.969 87 HB1 ALA 12 HB1 ALA 12 53.949 9.717 1.954 88 HB2 ALA 12 HB2 ALA 12 54.513 11.220 2.725 89 HB3 ALA 12 HB3 ALA 12 53.568 11.291 1.216 90 H GLY 13 HN GLY 13 50.584 11.741 4.488 91 HA2 GLY 13 HA1 GLY 13 49.577 13.802 4.788 92 HA3 GLY 13 HA2 GLY 13 51.210 14.470 4.603 93 H LYS 14 HN LYS 14 48.116 13.885 3.115 94 HA LYS 14 HA LYS 14 48.574 15.980 1.170 95 HB2 LYS 14 HB2 LYS 14 49.889 14.145 0.106 96 HB3 LYS 14 HB1 LYS 14 48.420 13.141 0.081 97 HG2 LYS 14 HG2 LYS 14 47.291 14.684 -1.392 98 HG3 LYS 14 HG1 LYS 14 48.579 15.898 -1.203 99 HD2 LYS 14 HD2 LYS 14 50.168 14.517 -2.383 100 HD3 LYS 14 HD1 LYS 14 49.062 13.124 -2.365 101 HE2 LYS 14 HE2 LYS 14 49.020 14.204 -4.576 102 HE3 LYS 14 HE1 LYS 14 47.449 14.411 -3.765 103 HZ1 LYS 14 HZ1 LYS 14 48.714 16.427 -4.857 104 HZ2 LYS 14 HZ2 LYS 14 49.500 16.466 -3.352 105 HZ3 LYS 14 HZ3 LYS 14 47.810 16.619 -3.435 106 H HIS 15 HN HIS 15 46.740 13.156 2.262 107 HA HIS 15 HA HIS 15 44.261 14.657 2.195 108 HB2 HIS 15 HB2 HIS 15 44.506 14.139 -0.236 109 HB3 HIS 15 HB1 HIS 15 44.538 12.405 0.165 110 HD1 HIS 15 HD1 HIS 15 42.272 15.478 0.574 111 HD2 HIS 15 HD2 HIS 15 42.013 11.286 0.367 112 HE1 HIS 15 HE1 HIS 15 39.791 14.865 0.609 113 H ALA 16 HN ALA 16 46.132 12.730 3.729 114 HA ALA 16 HA ALA 16 43.995 11.408 5.183 115 HB1 ALA 16 HB1 ALA 16 44.084 9.827 3.344 116 HB2 ALA 16 HB2 ALA 16 44.811 9.081 4.788 117 HB3 ALA 16 HB3 ALA 16 45.853 9.705 3.487 118 H GLY 17 HN GLY 17 46.441 13.181 5.400 119 HA2 GLY 17 HA1 GLY 17 48.380 11.634 6.931 120 HA3 GLY 17 HA2 GLY 17 48.318 13.399 6.757 121 H LYS 18 HN LYS 18 45.421 11.780 7.766 122 HA LYS 18 HA LYS 18 44.265 11.876 9.775 123 HB2 LYS 18 HB2 LYS 18 46.992 11.838 11.117 124 HB3 LYS 18 HB1 LYS 18 45.444 11.245 11.766 125 HG2 LYS 18 HG2 LYS 18 45.357 9.534 9.957 126 HG3 LYS 18 HG1 LYS 18 46.933 10.106 9.358 127 HD2 LYS 18 HD2 LYS 18 47.907 9.611 11.632 128 HD3 LYS 18 HD1 LYS 18 46.348 8.883 12.087 129 HE2 LYS 18 HE2 LYS 18 48.192 7.990 9.830 130 HE3 LYS 18 HE1 LYS 18 47.836 7.107 11.334 131 HZ1 LYS 18 HZ1 LYS 18 46.450 6.173 9.713 132 HZ2 LYS 18 HZ2 LYS 18 46.016 7.682 9.061 133 HZ3 LYS 18 HZ3 LYS 18 45.431 7.211 10.586 134 H ALA 19 HN ALA 19 45.895 14.340 8.551 135 HA ALA 19 HA ALA 19 44.664 16.292 10.288 136 HB1 ALA 19 HB1 ALA 19 47.684 16.014 10.476 137 HB2 ALA 19 HB2 ALA 19 46.518 15.686 11.780 138 HB3 ALA 19 HB3 ALA 19 46.719 17.343 11.160 139 H ALA 20 HN ALA 20 46.960 15.400 7.776 140 HA ALA 20 HA ALA 20 47.249 18.080 6.695 141 HB1 ALA 20 HB1 ALA 20 48.875 16.233 6.321 142 HB2 ALA 20 HB2 ALA 20 48.299 16.967 4.805 143 HB3 ALA 20 HB3 ALA 20 47.655 15.395 5.334 144 H LEU 21 HN LEU 21 44.770 15.687 6.590 145 HA LEU 21 HA LEU 21 43.644 16.026 4.047 146 HB2 LEU 21 HB2 LEU 21 42.734 14.415 5.605 147 HB3 LEU 21 HB1 LEU 21 42.310 15.692 6.763 148 HG LEU 21 HG LEU 21 40.598 16.569 5.279 149 HD11 LEU 21 HD11 LEU 21 40.159 15.247 3.080 150 HD12 LEU 21 HD12 LEU 21 41.821 14.638 3.271 151 HD13 LEU 21 HD13 LEU 21 41.525 16.384 3.093 152 HD21 LEU 21 HD21 LEU 21 39.988 14.605 6.656 153 HD22 LEU 21 HD22 LEU 21 40.507 13.520 5.345 154 HD23 LEU 21 HD23 LEU 21 39.108 14.593 5.110 155 H THR 22 HN THR 22 42.932 17.942 7.007 156 HA THR 22 HA THR 22 41.247 19.837 5.662 157 HB THR 22 HB THR 22 41.458 21.200 7.656 158 HG1 THR 22 HG1 THR 22 43.904 19.980 7.731 159 HG21 THR 22 HG21 THR 22 40.155 19.134 7.919 160 HG22 THR 22 HG22 THR 22 41.024 19.502 9.429 161 HG23 THR 22 HG23 THR 22 41.633 18.234 8.337 162 H HIS 23 HN HIS 23 44.724 19.504 5.998 163 HA HIS 23 HA HIS 23 46.473 20.818 5.215 164 HB2 HIS 23 HB2 HIS 23 45.429 20.163 3.066 165 HB3 HIS 23 HB1 HIS 23 44.393 21.609 3.135 166 HD1 HIS 23 HD1 HIS 23 48.154 21.174 3.837 167 HD2 HIS 23 HD2 HIS 23 45.553 23.450 1.443 168 HE1 HIS 23 HE1 HIS 23 49.588 22.812 2.499 169 H TYR 24 HN TYR 24 46.602 22.208 7.016 170 HA TYR 24 HA TYR 24 45.026 24.684 7.063 171 HB2 TYR 24 HB2 TYR 24 47.414 23.747 8.700 172 HB3 TYR 24 HB1 TYR 24 46.486 25.232 9.012 173 HD1 TYR 24 HD1 TYR 24 44.005 25.065 9.518 174 HD2 TYR 24 HD2 TYR 24 46.582 21.604 9.401 175 HE1 TYR 24 HE1 TYR 24 42.303 23.755 10.781 176 HE2 TYR 24 HE2 TYR 24 44.879 20.294 10.663 177 HH TYR 24 HH TYR 24 41.843 20.964 10.956 178 H LEU 25 HN LEU 25 48.571 24.405 7.383 179 HA LEU 25 HA LEU 25 49.121 25.885 4.955 180 HB2 LEU 25 HB2 LEU 25 48.209 27.787 6.125 181 HB3 LEU 25 HB1 LEU 25 49.110 27.387 7.602 182 HG LEU 25 HG LEU 25 51.225 27.951 6.560 183 HD11 LEU 25 HD11 LEU 25 51.152 28.874 4.137 184 HD12 LEU 25 HD12 LEU 25 49.568 28.069 4.010 185 HD13 LEU 25 HD13 LEU 25 51.032 27.111 4.335 186 HD21 LEU 25 HD21 LEU 25 49.152 30.032 5.736 187 HD22 LEU 25 HD22 LEU 25 50.874 30.325 6.083 188 HD23 LEU 25 HD23 LEU 25 49.773 29.824 7.391 Start of MODEL 44 1 H1 GLY 1 HT1 GLY 1 52.739 7.341 -0.999 2 H2 GLY 1 HT2 GLY 1 53.820 7.218 0.308 3 H3 GLY 1 HT3 GLY 1 54.242 6.588 -1.214 4 HA2 GLY 1 HA1 GLY 1 53.531 9.334 -1.322 5 HA3 GLY 1 HA2 GLY 1 54.900 9.011 -0.240 6 H TRP 2 HN TRP 2 55.697 6.593 -1.764 7 HA TRP 2 HA TRP 2 57.487 7.924 -3.607 8 HB2 TRP 2 HB2 TRP 2 56.827 4.961 -3.375 9 HB3 TRP 2 HB1 TRP 2 58.268 5.673 -4.140 10 HD1 TRP 2 HD1 TRP 2 56.580 5.337 -0.689 11 HE1 TRP 2 HE1 TRP 2 58.381 5.569 1.172 12 HE3 TRP 2 HE3 TRP 2 60.616 6.509 -3.614 13 HZ2 TRP 2 HZ2 TRP 2 61.190 6.182 1.334 14 HZ3 TRP 2 HZ3 TRP 2 62.846 6.914 -2.584 15 HH2 TRP 2 HH2 TRP 2 63.137 6.751 -0.116 16 H GLY 3 HN GLY 3 57.417 8.187 -5.773 17 HA2 GLY 3 HA1 GLY 3 54.837 7.982 -7.065 18 HA3 GLY 3 HA2 GLY 3 56.368 8.465 -7.822 19 H SER 4 HN SER 4 56.558 5.485 -6.162 20 HA SER 4 HA SER 4 57.036 4.050 -8.633 21 HB2 SER 4 HB2 SER 4 57.323 2.100 -7.190 22 HB3 SER 4 HB1 SER 4 58.139 3.504 -6.468 23 HG SER 4 HG SER 4 56.961 2.814 -4.813 24 H PHE 5 HN PHE 5 55.903 1.651 -8.540 25 HA PHE 5 HA PHE 5 53.229 2.157 -9.494 26 HB2 PHE 5 HB2 PHE 5 54.646 -0.436 -8.765 27 HB3 PHE 5 HB1 PHE 5 53.083 -0.337 -9.609 28 HD1 PHE 5 HD1 PHE 5 52.935 0.491 -11.913 29 HD2 PHE 5 HD2 PHE 5 56.726 0.279 -9.862 30 HE1 PHE 5 HE1 PHE 5 54.124 0.812 -14.079 31 HE2 PHE 5 HE2 PHE 5 57.915 0.600 -12.028 32 HZ PHE 5 HZ PHE 5 56.615 0.880 -14.135 33 H PHE 6 HN PHE 6 51.321 2.182 -8.485 34 HA PHE 6 HA PHE 6 51.183 2.137 -5.620 35 HB2 PHE 6 HB2 PHE 6 48.704 2.125 -5.999 36 HB3 PHE 6 HB1 PHE 6 49.557 3.381 -6.928 37 HD1 PHE 6 HD1 PHE 6 47.755 0.153 -7.110 38 HD2 PHE 6 HD2 PHE 6 49.842 3.189 -9.361 39 HE1 PHE 6 HE1 PHE 6 46.848 -0.794 -9.229 40 HE2 PHE 6 HE2 PHE 6 48.933 2.241 -11.480 41 HZ PHE 6 HZ PHE 6 47.497 0.205 -11.417 42 H LYS 7 HN LYS 7 49.403 0.703 -4.527 43 HA LYS 7 HA LYS 7 49.072 -1.991 -5.494 44 HB2 LYS 7 HB2 LYS 7 50.541 -3.111 -3.782 45 HB3 LYS 7 HB1 LYS 7 51.438 -2.265 -5.067 46 HG2 LYS 7 HG2 LYS 7 51.683 -0.288 -3.564 47 HG3 LYS 7 HG1 LYS 7 50.851 -1.189 -2.273 48 HD2 LYS 7 HD2 LYS 7 52.605 -2.846 -2.188 49 HD3 LYS 7 HD1 LYS 7 53.369 -2.196 -3.659 50 HE2 LYS 7 HE2 LYS 7 53.864 -0.082 -2.490 51 HE3 LYS 7 HE1 LYS 7 53.056 -0.688 -1.025 52 HZ1 LYS 7 HZ1 LYS 7 54.952 -2.582 -1.909 53 HZ2 LYS 7 HZ2 LYS 7 54.914 -1.718 -0.448 54 HZ3 LYS 7 HZ3 LYS 7 55.708 -1.068 -1.802 55 H LYS 8 HN LYS 8 47.304 -0.141 -4.515 56 HA LYS 8 HA LYS 8 45.645 0.138 -2.917 57 HB2 LYS 8 HB2 LYS 8 46.371 -2.736 -2.227 58 HB3 LYS 8 HB1 LYS 8 44.863 -1.901 -1.784 59 HG2 LYS 8 HG2 LYS 8 44.303 -1.596 -4.160 60 HG3 LYS 8 HG1 LYS 8 45.839 -2.359 -4.638 61 HD2 LYS 8 HD2 LYS 8 45.140 -4.453 -3.488 62 HD3 LYS 8 HD1 LYS 8 43.588 -3.689 -3.064 63 HE2 LYS 8 HE2 LYS 8 43.154 -3.319 -5.509 64 HE3 LYS 8 HE1 LYS 8 44.647 -4.218 -5.875 65 HZ1 LYS 8 HZ1 LYS 8 43.549 -5.998 -4.349 66 HZ2 LYS 8 HZ2 LYS 8 43.069 -5.863 -5.973 67 HZ3 LYS 8 HZ3 LYS 8 42.108 -5.195 -4.741 68 H ALA 9 HN ALA 9 48.349 0.933 -2.207 69 HA ALA 9 HA ALA 9 47.913 1.379 0.614 70 HB1 ALA 9 HB1 ALA 9 48.683 -0.986 0.706 71 HB2 ALA 9 HB2 ALA 9 49.799 0.137 1.520 72 HB3 ALA 9 HB3 ALA 9 50.194 -0.497 -0.096 73 H ALA 10 HN ALA 10 48.286 3.519 0.200 74 HA ALA 10 HA ALA 10 51.066 4.337 0.082 75 HB1 ALA 10 HB1 ALA 10 49.341 4.780 -2.376 76 HB2 ALA 10 HB2 ALA 10 50.851 3.843 -2.280 77 HB3 ALA 10 HB3 ALA 10 50.884 5.610 -2.060 78 H HIS 11 HN HIS 11 47.833 4.746 0.764 79 HA HIS 11 HA HIS 11 47.601 7.622 0.644 80 HB2 HIS 11 HB2 HIS 11 46.170 5.667 2.487 81 HB3 HIS 11 HB1 HIS 11 45.647 7.318 2.077 82 HD1 HIS 11 HD1 HIS 11 46.730 4.218 0.052 83 HD2 HIS 11 HD2 HIS 11 43.719 7.152 0.123 84 HE1 HIS 11 HE1 HIS 11 45.190 3.777 -1.939 85 H ALA 12 HN ALA 12 47.571 5.693 3.659 86 HA ALA 12 HA ALA 12 48.400 6.234 5.760 87 HB1 ALA 12 HB1 ALA 12 50.721 7.056 3.988 88 HB2 ALA 12 HB2 ALA 12 50.472 5.488 4.794 89 HB3 ALA 12 HB3 ALA 12 50.817 6.944 5.760 90 H GLY 13 HN GLY 13 46.594 8.000 5.441 91 HA2 GLY 13 HA1 GLY 13 47.438 10.304 6.831 92 HA3 GLY 13 HA2 GLY 13 47.437 10.726 5.107 93 H LYS 14 HN LYS 14 45.577 11.246 4.121 94 HA LYS 14 HA LYS 14 42.998 10.291 5.020 95 HB2 LYS 14 HB2 LYS 14 43.501 11.890 6.870 96 HB3 LYS 14 HB1 LYS 14 43.652 13.193 5.667 97 HG2 LYS 14 HG2 LYS 14 41.338 12.914 4.980 98 HG3 LYS 14 HG1 LYS 14 41.163 11.466 6.001 99 HD2 LYS 14 HD2 LYS 14 41.676 12.895 8.014 100 HD3 LYS 14 HD1 LYS 14 41.654 14.322 6.949 101 HE2 LYS 14 HE2 LYS 14 39.358 12.416 7.550 102 HE3 LYS 14 HE1 LYS 14 39.456 14.154 7.922 103 HZ1 LYS 14 HZ1 LYS 14 38.193 14.075 5.997 104 HZ2 LYS 14 HZ2 LYS 14 39.115 12.832 5.298 105 HZ3 LYS 14 HZ3 LYS 14 39.745 14.408 5.398 106 H HIS 15 HN HIS 15 41.750 10.283 3.272 107 HA HIS 15 HA HIS 15 41.025 10.758 1.120 108 HB2 HIS 15 HB2 HIS 15 41.682 13.569 2.085 109 HB3 HIS 15 HB1 HIS 15 40.815 13.213 0.571 110 HD1 HIS 15 HD1 HIS 15 39.346 10.625 2.000 111 HD2 HIS 15 HD2 HIS 15 39.304 14.626 3.292 112 HE1 HIS 15 HE1 HIS 15 37.246 10.946 3.419 113 H ALA 16 HN ALA 16 44.023 10.419 1.774 114 HA ALA 16 HA ALA 16 46.031 10.497 0.614 115 HB1 ALA 16 HB1 ALA 16 45.836 10.147 -1.840 116 HB2 ALA 16 HB2 ALA 16 44.092 10.487 -1.724 117 HB3 ALA 16 HB3 ALA 16 44.779 9.065 -0.903 118 H GLY 17 HN GLY 17 45.342 12.980 1.578 119 HA2 GLY 17 HA1 GLY 17 45.441 14.979 -0.547 120 HA3 GLY 17 HA2 GLY 17 45.585 15.265 1.199 121 H LYS 18 HN LYS 18 47.650 12.834 -0.064 122 HA LYS 18 HA LYS 18 49.914 12.772 -0.515 123 HB2 LYS 18 HB2 LYS 18 49.266 14.804 -2.033 124 HB3 LYS 18 HB1 LYS 18 50.018 15.797 -0.766 125 HG2 LYS 18 HG2 LYS 18 52.078 14.311 -0.967 126 HG3 LYS 18 HG1 LYS 18 51.322 13.586 -2.406 127 HD2 LYS 18 HD2 LYS 18 51.095 15.944 -3.345 128 HD3 LYS 18 HD1 LYS 18 52.115 16.497 -1.994 129 HE2 LYS 18 HE2 LYS 18 53.934 15.021 -2.707 130 HE3 LYS 18 HE1 LYS 18 52.915 14.342 -3.999 131 HZ1 LYS 18 HZ1 LYS 18 54.368 16.831 -3.915 132 HZ2 LYS 18 HZ2 LYS 18 52.759 17.012 -4.431 133 HZ3 LYS 18 HZ3 LYS 18 53.802 15.948 -5.249 134 H ALA 19 HN ALA 19 48.520 14.681 1.954 135 HA ALA 19 HA ALA 19 50.568 13.980 3.840 136 HB1 ALA 19 HB1 ALA 19 50.561 16.857 2.861 137 HB2 ALA 19 HB2 ALA 19 51.901 15.692 2.742 138 HB3 ALA 19 HB3 ALA 19 51.380 16.290 4.335 139 H ALA 20 HN ALA 20 47.752 13.780 3.593 140 HA ALA 20 HA ALA 20 45.831 14.142 4.833 141 HB1 ALA 20 HB1 ALA 20 46.088 14.572 7.195 142 HB2 ALA 20 HB2 ALA 20 47.718 15.240 6.944 143 HB3 ALA 20 HB3 ALA 20 47.414 13.506 6.672 144 H LEU 21 HN LEU 21 45.098 15.734 3.349 145 HA LEU 21 HA LEU 21 44.250 17.818 2.815 146 HB2 LEU 21 HB2 LEU 21 44.690 18.617 5.710 147 HB3 LEU 21 HB1 LEU 21 43.443 19.193 4.580 148 HG LEU 21 HG LEU 21 43.685 16.390 5.761 149 HD11 LEU 21 HD11 LEU 21 41.603 16.937 6.889 150 HD12 LEU 21 HD12 LEU 21 41.490 18.489 6.024 151 HD13 LEU 21 HD13 LEU 21 42.775 18.233 7.229 152 HD21 LEU 21 HD21 LEU 21 42.859 16.066 3.543 153 HD22 LEU 21 HD22 LEU 21 41.881 17.553 3.600 154 HD23 LEU 21 HD23 LEU 21 41.401 16.131 4.557 155 H THR 22 HN THR 22 46.449 18.897 5.437 156 HA THR 22 HA THR 22 48.485 19.808 3.573 157 HB THR 22 HB THR 22 47.002 21.607 3.009 158 HG1 THR 22 HG1 THR 22 48.041 23.302 4.594 159 HG21 THR 22 HG21 THR 22 46.496 21.833 6.006 160 HG22 THR 22 HG22 THR 22 45.336 21.284 4.772 161 HG23 THR 22 HG23 THR 22 45.887 22.977 4.786 162 H HIS 23 HN HIS 23 48.907 18.194 5.604 163 HA HIS 23 HA HIS 23 49.385 19.568 8.126 164 HB2 HIS 23 HB2 HIS 23 48.960 17.085 7.840 165 HB3 HIS 23 HB1 HIS 23 50.598 16.952 7.159 166 HD1 HIS 23 HD1 HIS 23 52.034 15.956 8.950 167 HD2 HIS 23 HD2 HIS 23 49.399 18.856 10.472 168 HE1 HIS 23 HE1 HIS 23 52.610 16.288 11.417 169 H TYR 24 HN TYR 24 50.727 21.311 7.921 170 HA TYR 24 HA TYR 24 52.712 22.466 7.588 171 HB2 TYR 24 HB2 TYR 24 53.366 20.720 9.318 172 HB3 TYR 24 HB1 TYR 24 54.045 19.761 7.982 173 HD1 TYR 24 HD1 TYR 24 56.170 20.326 7.009 174 HD2 TYR 24 HD2 TYR 24 54.246 23.060 9.741 175 HE1 TYR 24 HE1 TYR 24 58.245 21.702 7.095 176 HE2 TYR 24 HE2 TYR 24 56.322 24.435 9.826 177 HH TYR 24 HH TYR 24 59.182 23.601 7.871 178 H LEU 25 HN LEU 25 54.953 22.350 6.368 179 HA LEU 25 HA LEU 25 54.279 22.036 3.569 180 HB2 LEU 25 HB2 LEU 25 57.090 22.310 4.685 181 HB3 LEU 25 HB1 LEU 25 56.454 22.884 3.125 182 HG LEU 25 HG LEU 25 55.711 23.936 5.892 183 HD11 LEU 25 HD11 LEU 25 57.931 24.647 5.005 184 HD12 LEU 25 HD12 LEU 25 56.782 26.004 5.095 185 HD13 LEU 25 HD13 LEU 25 57.133 25.237 3.527 186 HD21 LEU 25 HD21 LEU 25 53.715 24.084 4.579 187 HD22 LEU 25 HD22 LEU 25 54.618 24.518 3.108 188 HD23 LEU 25 HD23 LEU 25 54.471 25.687 4.441 Start of MODEL 45 1 H1 GLY 1 HT1 GLY 1 55.341 3.186 1.578 2 H2 GLY 1 HT2 GLY 1 56.246 2.050 0.696 3 H3 GLY 1 HT3 GLY 1 55.187 3.109 -0.107 4 HA2 GLY 1 HA1 GLY 1 57.551 3.941 1.434 5 HA3 GLY 1 HA2 GLY 1 57.524 3.712 -0.326 6 H TRP 2 HN TRP 2 58.035 5.871 -0.735 7 HA TRP 2 HA TRP 2 56.449 8.037 0.365 8 HB2 TRP 2 HB2 TRP 2 58.278 7.942 -2.068 9 HB3 TRP 2 HB1 TRP 2 57.634 9.421 -1.315 10 HD1 TRP 2 HD1 TRP 2 58.158 9.417 1.528 11 HE1 TRP 2 HE1 TRP 2 60.455 9.005 2.676 12 HE3 TRP 2 HE3 TRP 2 60.520 6.922 -2.267 13 HZ2 TRP 2 HZ2 TRP 2 62.963 7.754 2.005 14 HZ3 TRP 2 HZ3 TRP 2 62.863 6.128 -1.992 15 HH2 TRP 2 HH2 TRP 2 64.085 6.541 0.138 16 H GLY 3 HN GLY 3 56.792 8.403 -3.013 17 HA2 GLY 3 HA1 GLY 3 53.956 8.762 -3.365 18 HA3 GLY 3 HA2 GLY 3 55.188 8.761 -4.643 19 H SER 4 HN SER 4 56.239 6.301 -4.643 20 HA SER 4 HA SER 4 55.838 4.160 -5.432 21 HB2 SER 4 HB2 SER 4 53.271 4.225 -3.812 22 HB3 SER 4 HB1 SER 4 54.239 2.808 -4.274 23 HG SER 4 HG SER 4 55.115 4.957 -2.616 24 H PHE 5 HN PHE 5 54.632 2.928 -6.965 25 HA PHE 5 HA PHE 5 53.331 4.531 -8.940 26 HB2 PHE 5 HB2 PHE 5 53.256 1.518 -8.505 27 HB3 PHE 5 HB1 PHE 5 52.735 2.357 -9.986 28 HD1 PHE 5 HD1 PHE 5 55.612 1.276 -7.958 29 HD2 PHE 5 HD2 PHE 5 54.382 3.580 -11.395 30 HE1 PHE 5 HE1 PHE 5 57.968 1.326 -8.769 31 HE2 PHE 5 HE2 PHE 5 56.738 3.628 -12.206 32 HZ PHE 5 HZ PHE 5 58.527 2.485 -10.902 33 H PHE 6 HN PHE 6 51.135 4.365 -9.742 34 HA PHE 6 HA PHE 6 49.214 4.605 -7.558 35 HB2 PHE 6 HB2 PHE 6 48.787 4.577 -10.572 36 HB3 PHE 6 HB1 PHE 6 47.602 5.096 -9.349 37 HD1 PHE 6 HD1 PHE 6 48.242 7.028 -7.776 38 HD2 PHE 6 HD2 PHE 6 50.437 6.104 -11.377 39 HE1 PHE 6 HE1 PHE 6 49.239 9.311 -7.756 40 HE2 PHE 6 HE2 PHE 6 51.433 8.387 -11.356 41 HZ PHE 6 HZ PHE 6 50.817 9.999 -9.557 42 H LYS 7 HN LYS 7 50.416 2.003 -7.664 43 HA LYS 7 HA LYS 7 48.597 0.147 -8.959 44 HB2 LYS 7 HB2 LYS 7 50.971 -0.380 -8.343 45 HB3 LYS 7 HB1 LYS 7 50.491 -0.353 -6.629 46 HG2 LYS 7 HG2 LYS 7 48.892 -2.172 -7.005 47 HG3 LYS 7 HG1 LYS 7 49.243 -2.156 -8.750 48 HD2 LYS 7 HD2 LYS 7 51.654 -2.672 -8.195 49 HD3 LYS 7 HD1 LYS 7 51.164 -2.872 -6.496 50 HE2 LYS 7 HE2 LYS 7 51.170 -5.069 -7.518 51 HE3 LYS 7 HE1 LYS 7 49.473 -4.592 -7.274 52 HZ1 LYS 7 HZ1 LYS 7 50.347 -5.504 -9.576 53 HZ2 LYS 7 HZ2 LYS 7 50.747 -3.869 -9.813 54 HZ3 LYS 7 HZ3 LYS 7 49.139 -4.317 -9.491 55 H LYS 8 HN LYS 8 46.529 -0.035 -8.410 56 HA LYS 8 HA LYS 8 44.627 -0.186 -7.095 57 HB2 LYS 8 HB2 LYS 8 46.644 -1.367 -5.146 58 HB3 LYS 8 HB1 LYS 8 44.876 -1.456 -4.956 59 HG2 LYS 8 HG2 LYS 8 44.660 -2.681 -7.055 60 HG3 LYS 8 HG1 LYS 8 46.400 -2.490 -7.386 61 HD2 LYS 8 HD2 LYS 8 46.982 -3.856 -5.465 62 HD3 LYS 8 HD1 LYS 8 45.285 -3.914 -4.933 63 HE2 LYS 8 HE2 LYS 8 44.686 -5.085 -7.056 64 HE3 LYS 8 HE1 LYS 8 46.405 -5.088 -7.516 65 HZ1 LYS 8 HZ1 LYS 8 45.273 -7.080 -6.200 66 HZ2 LYS 8 HZ2 LYS 8 45.735 -6.130 -4.869 67 HZ3 LYS 8 HZ3 LYS 8 46.902 -6.660 -5.985 68 H ALA 9 HN ALA 9 46.777 0.260 -4.304 69 HA ALA 9 HA ALA 9 46.118 3.107 -4.042 70 HB1 ALA 9 HB1 ALA 9 44.013 2.162 -3.265 71 HB2 ALA 9 HB2 ALA 9 44.915 2.831 -1.883 72 HB3 ALA 9 HB3 ALA 9 44.878 1.072 -2.157 73 H ALA 10 HN ALA 10 46.890 3.933 -1.843 74 HA ALA 10 HA ALA 10 48.778 2.351 -0.347 75 HB1 ALA 10 HB1 ALA 10 50.837 3.607 -1.107 76 HB2 ALA 10 HB2 ALA 10 49.885 4.182 -2.497 77 HB3 ALA 10 HB3 ALA 10 50.190 2.442 -2.285 78 H HIS 11 HN HIS 11 49.732 3.518 1.384 79 HA HIS 11 HA HIS 11 48.124 5.824 2.188 80 HB2 HIS 11 HB2 HIS 11 49.455 5.732 4.252 81 HB3 HIS 11 HB1 HIS 11 48.882 4.107 3.804 82 HD1 HIS 11 HD1 HIS 11 51.323 4.221 5.600 83 HD2 HIS 11 HD2 HIS 11 51.632 4.424 1.412 84 HE1 HIS 11 HE1 HIS 11 53.667 3.426 4.969 85 H ALA 12 HN ALA 12 49.923 6.055 -0.219 86 HA ALA 12 HA ALA 12 52.191 7.663 0.408 87 HB1 ALA 12 HB1 ALA 12 51.678 6.640 -1.817 88 HB2 ALA 12 HB2 ALA 12 52.111 8.365 -1.908 89 HB3 ALA 12 HB3 ALA 12 50.407 7.865 -2.040 90 H GLY 13 HN GLY 13 48.752 8.384 0.223 91 HA2 GLY 13 HA1 GLY 13 48.845 10.688 1.783 92 HA3 GLY 13 HA2 GLY 13 49.078 11.264 0.122 93 H LYS 14 HN LYS 14 46.876 9.866 2.446 94 HA LYS 14 HA LYS 14 44.575 10.896 1.052 95 HB2 LYS 14 HB2 LYS 14 45.156 8.864 -0.386 96 HB3 LYS 14 HB1 LYS 14 44.761 7.858 1.025 97 HG2 LYS 14 HG2 LYS 14 42.502 9.119 1.085 98 HG3 LYS 14 HG1 LYS 14 42.922 9.713 -0.538 99 HD2 LYS 14 HD2 LYS 14 42.674 6.794 0.317 100 HD3 LYS 14 HD1 LYS 14 41.545 7.689 -0.726 101 HE2 LYS 14 HE2 LYS 14 44.397 6.832 -1.327 102 HE3 LYS 14 HE1 LYS 14 42.914 6.477 -2.243 103 HZ1 LYS 14 HZ1 LYS 14 44.365 9.056 -2.027 104 HZ2 LYS 14 HZ2 LYS 14 42.758 8.971 -2.574 105 HZ3 LYS 14 HZ3 LYS 14 43.993 8.170 -3.424 106 H HIS 15 HN HIS 15 45.033 7.814 2.826 107 HA HIS 15 HA HIS 15 43.001 8.597 4.784 108 HB2 HIS 15 HB2 HIS 15 43.362 6.241 3.992 109 HB3 HIS 15 HB1 HIS 15 44.929 6.242 4.836 110 HD1 HIS 15 HD1 HIS 15 41.831 7.951 6.224 111 HD2 HIS 15 HD2 HIS 15 44.102 4.472 6.885 112 HE1 HIS 15 HE1 HIS 15 41.017 6.915 8.414 113 H ALA 16 HN ALA 16 46.343 9.130 4.386 114 HA ALA 16 HA ALA 16 47.164 9.072 7.151 115 HB1 ALA 16 HB1 ALA 16 48.245 10.527 4.717 116 HB2 ALA 16 HB2 ALA 16 48.827 8.996 5.417 117 HB3 ALA 16 HB3 ALA 16 49.045 10.523 6.307 118 H GLY 17 HN GLY 17 46.706 11.936 5.013 119 HA2 GLY 17 HA1 GLY 17 45.810 14.015 5.505 120 HA3 GLY 17 HA2 GLY 17 45.000 13.284 6.904 121 H LYS 18 HN LYS 18 48.030 12.398 7.487 122 HA LYS 18 HA LYS 18 48.439 14.364 9.540 123 HB2 LYS 18 HB2 LYS 18 50.297 12.320 8.262 124 HB3 LYS 18 HB1 LYS 18 50.750 13.326 9.660 125 HG2 LYS 18 HG2 LYS 18 49.032 12.371 11.033 126 HG3 LYS 18 HG1 LYS 18 48.241 11.603 9.636 127 HD2 LYS 18 HD2 LYS 18 49.528 9.934 10.923 128 HD3 LYS 18 HD1 LYS 18 50.237 10.158 9.307 129 HE2 LYS 18 HE2 LYS 18 52.060 11.424 10.152 130 HE3 LYS 18 HE1 LYS 18 51.239 11.743 11.701 131 HZ1 LYS 18 HZ1 LYS 18 51.559 9.549 12.390 132 HZ2 LYS 18 HZ2 LYS 18 53.038 9.964 11.665 133 HZ3 LYS 18 HZ3 LYS 18 51.922 8.992 10.831 134 H ALA 19 HN ALA 19 48.990 14.407 6.171 135 HA ALA 19 HA ALA 19 50.038 17.094 6.253 136 HB1 ALA 19 HB1 ALA 19 51.988 14.888 5.496 137 HB2 ALA 19 HB2 ALA 19 52.109 15.962 6.911 138 HB3 ALA 19 HB3 ALA 19 52.260 16.632 5.270 139 H ALA 20 HN ALA 20 48.654 14.412 4.829 140 HA ALA 20 HA ALA 20 49.179 15.068 2.029 141 HB1 ALA 20 HB1 ALA 20 46.976 13.365 3.241 142 HB2 ALA 20 HB2 ALA 20 48.612 12.785 2.851 143 HB3 ALA 20 HB3 ALA 20 47.535 13.350 1.551 144 H LEU 21 HN LEU 21 45.975 14.836 3.617 145 HA LEU 21 HA LEU 21 44.666 16.574 1.823 146 HB2 LEU 21 HB2 LEU 21 44.157 15.772 4.701 147 HB3 LEU 21 HB1 LEU 21 43.111 16.983 3.926 148 HG LEU 21 HG LEU 21 42.536 15.411 2.141 149 HD11 LEU 21 HD11 LEU 21 43.359 13.002 2.376 150 HD12 LEU 21 HD12 LEU 21 44.554 13.615 3.543 151 HD13 LEU 21 HD13 LEU 21 44.586 14.180 1.856 152 HD21 LEU 21 HD21 LEU 21 41.342 13.712 3.494 153 HD22 LEU 21 HD22 LEU 21 41.235 15.318 4.252 154 HD23 LEU 21 HD23 LEU 21 42.366 14.104 4.895 155 H THR 22 HN THR 22 46.625 17.304 4.680 156 HA THR 22 HA THR 22 45.888 20.014 5.055 157 HB THR 22 HB THR 22 47.922 20.281 6.259 158 HG1 THR 22 HG1 THR 22 49.558 19.761 5.014 159 HG21 THR 22 HG21 THR 22 46.359 18.424 7.060 160 HG22 THR 22 HG22 THR 22 48.041 18.314 7.633 161 HG23 THR 22 HG23 THR 22 47.482 17.271 6.303 162 H HIS 23 HN HIS 23 48.671 18.731 3.165 163 HA HIS 23 HA HIS 23 49.842 19.681 1.404 164 HB2 HIS 23 HB2 HIS 23 47.624 19.367 0.304 165 HB3 HIS 23 HB1 HIS 23 47.177 21.019 0.794 166 HD1 HIS 23 HD1 HIS 23 50.691 20.125 -0.328 167 HD2 HIS 23 HD2 HIS 23 47.286 22.092 -1.825 168 HE1 HIS 23 HE1 HIS 23 51.375 21.287 -2.498 169 H TYR 24 HN TYR 24 51.044 20.892 3.077 170 HA TYR 24 HA TYR 24 51.202 23.684 2.342 171 HB2 TYR 24 HB2 TYR 24 49.177 23.741 3.827 172 HB3 TYR 24 HB1 TYR 24 50.189 23.126 5.156 173 HD1 TYR 24 HD1 TYR 24 51.980 24.505 6.131 174 HD2 TYR 24 HD2 TYR 24 49.471 26.012 2.961 175 HE1 TYR 24 HE1 TYR 24 52.778 26.819 6.599 176 HE2 TYR 24 HE2 TYR 24 50.268 28.326 3.428 177 HH TYR 24 HH TYR 24 52.216 29.026 6.288 178 H LEU 25 HN LEU 25 51.808 21.321 4.970 179 HA LEU 25 HA LEU 25 54.202 22.502 5.949 180 HB2 LEU 25 HB2 LEU 25 53.599 19.525 5.783 181 HB3 LEU 25 HB1 LEU 25 54.677 20.339 6.937 182 HG LEU 25 HG LEU 25 51.677 20.868 6.725 183 HD11 LEU 25 HD11 LEU 25 52.211 18.534 7.449 184 HD12 LEU 25 HD12 LEU 25 51.462 19.496 8.746 185 HD13 LEU 25 HD13 LEU 25 53.216 19.197 8.760 186 HD21 LEU 25 HD21 LEU 25 53.883 21.775 8.620 187 HD22 LEU 25 HD22 LEU 25 52.171 21.791 9.107 188 HD23 LEU 25 HD23 LEU 25 52.710 22.772 7.728 Start of MODEL 46 1 H1 GLY 1 HT1 GLY 1 56.185 -6.776 -5.546 2 H2 GLY 1 HT2 GLY 1 56.957 -6.394 -4.082 3 H3 GLY 1 HT3 GLY 1 57.752 -7.343 -5.245 4 HA2 GLY 1 HA1 GLY 1 57.491 -4.511 -5.024 5 HA3 GLY 1 HA2 GLY 1 58.716 -5.489 -5.857 6 H TRP 2 HN TRP 2 55.822 -3.631 -6.138 7 HA TRP 2 HA TRP 2 56.095 -3.533 -9.027 8 HB2 TRP 2 HB2 TRP 2 54.954 -5.756 -8.731 9 HB3 TRP 2 HB1 TRP 2 53.597 -4.902 -7.957 10 HD1 TRP 2 HD1 TRP 2 51.900 -3.697 -9.484 11 HE1 TRP 2 HE1 TRP 2 51.604 -3.406 -12.050 12 HE3 TRP 2 HE3 TRP 2 56.428 -5.521 -11.029 13 HZ2 TRP 2 HZ2 TRP 2 53.147 -3.911 -14.429 14 HZ3 TRP 2 HZ3 TRP 2 56.993 -5.608 -13.452 15 HH2 TRP 2 HH2 TRP 2 55.359 -4.806 -15.152 16 H GLY 3 HN GLY 3 54.545 -2.067 -10.021 17 HA2 GLY 3 HA1 GLY 3 53.278 -0.131 -10.023 18 HA3 GLY 3 HA2 GLY 3 52.579 -0.664 -8.481 19 H SER 4 HN SER 4 53.337 0.131 -6.553 20 HA SER 4 HA SER 4 54.241 1.796 -5.210 21 HB2 SER 4 HB2 SER 4 56.716 1.471 -6.939 22 HB3 SER 4 HB1 SER 4 56.634 1.982 -5.238 23 HG SER 4 HG SER 4 56.054 -0.063 -4.664 24 H PHE 5 HN PHE 5 52.667 3.246 -6.373 25 HA PHE 5 HA PHE 5 53.458 4.951 -8.501 26 HB2 PHE 5 HB2 PHE 5 51.589 5.511 -6.164 27 HB3 PHE 5 HB1 PHE 5 51.688 6.479 -7.654 28 HD1 PHE 5 HD1 PHE 5 50.936 5.562 -9.815 29 HD2 PHE 5 HD2 PHE 5 50.614 3.267 -6.175 30 HE1 PHE 5 HE1 PHE 5 49.392 3.973 -10.954 31 HE2 PHE 5 HE2 PHE 5 49.069 1.678 -7.313 32 HZ PHE 5 HZ PHE 5 48.521 1.988 -9.724 33 H PHE 6 HN PHE 6 52.983 6.239 -5.209 34 HA PHE 6 HA PHE 6 55.738 7.300 -5.112 35 HB2 PHE 6 HB2 PHE 6 53.399 9.246 -5.169 36 HB3 PHE 6 HB1 PHE 6 55.135 9.633 -5.085 37 HD1 PHE 6 HD1 PHE 6 56.635 9.084 -7.042 38 HD2 PHE 6 HD2 PHE 6 52.336 8.770 -7.274 39 HE1 PHE 6 HE1 PHE 6 56.770 9.071 -9.530 40 HE2 PHE 6 HE2 PHE 6 52.472 8.756 -9.762 41 HZ PHE 6 HZ PHE 6 54.693 8.843 -10.888 42 H LYS 7 HN LYS 7 56.400 7.668 -3.061 43 HA LYS 7 HA LYS 7 54.725 6.701 -0.913 44 HB2 LYS 7 HB2 LYS 7 57.320 8.291 -0.826 45 HB3 LYS 7 HB1 LYS 7 56.586 7.426 0.546 46 HG2 LYS 7 HG2 LYS 7 56.826 5.290 -0.593 47 HG3 LYS 7 HG1 LYS 7 57.379 6.096 -2.080 48 HD2 LYS 7 HD2 LYS 7 59.354 6.985 -0.847 49 HD3 LYS 7 HD1 LYS 7 58.815 6.117 0.612 50 HE2 LYS 7 HE2 LYS 7 58.874 3.976 -0.776 51 HE3 LYS 7 HE1 LYS 7 59.691 4.920 -2.046 52 HZ1 LYS 7 HZ1 LYS 7 60.737 5.086 0.689 53 HZ2 LYS 7 HZ2 LYS 7 61.560 5.155 -0.795 54 HZ3 LYS 7 HZ3 LYS 7 61.033 3.661 -0.181 55 H LYS 8 HN LYS 8 56.359 9.883 -0.985 56 HA LYS 8 HA LYS 8 54.342 11.059 0.726 57 HB2 LYS 8 HB2 LYS 8 56.440 12.413 -1.017 58 HB3 LYS 8 HB1 LYS 8 55.553 13.155 0.336 59 HG2 LYS 8 HG2 LYS 8 56.511 11.435 1.873 60 HG3 LYS 8 HG1 LYS 8 57.453 10.775 0.514 61 HD2 LYS 8 HD2 LYS 8 58.523 13.019 0.212 62 HD3 LYS 8 HD1 LYS 8 57.646 13.599 1.650 63 HE2 LYS 8 HE2 LYS 8 58.737 11.855 3.026 64 HE3 LYS 8 HE1 LYS 8 59.608 11.264 1.592 65 HZ1 LYS 8 HZ1 LYS 8 59.836 14.113 2.157 66 HZ2 LYS 8 HZ2 LYS 8 61.011 13.011 1.617 67 HZ3 LYS 8 HZ3 LYS 8 60.599 13.077 3.264 68 H ALA 9 HN ALA 9 53.478 13.354 -0.049 69 HA ALA 9 HA ALA 9 51.768 14.328 -1.285 70 HB1 ALA 9 HB1 ALA 9 53.794 14.633 -2.765 71 HB2 ALA 9 HB2 ALA 9 52.230 14.658 -3.613 72 HB3 ALA 9 HB3 ALA 9 53.255 13.205 -3.678 73 H ALA 10 HN ALA 10 50.354 13.827 -3.482 74 HA ALA 10 HA ALA 10 48.564 12.567 -4.232 75 HB1 ALA 10 HB1 ALA 10 50.468 10.263 -3.679 76 HB2 ALA 10 HB2 ALA 10 50.357 11.198 -5.191 77 HB3 ALA 10 HB3 ALA 10 48.993 10.179 -4.670 78 H HIS 11 HN HIS 11 49.798 10.092 -1.977 79 HA HIS 11 HA HIS 11 47.542 10.649 -0.098 80 HB2 HIS 11 HB2 HIS 11 46.907 8.229 -0.124 81 HB3 HIS 11 HB1 HIS 11 46.564 9.055 -1.663 82 HD1 HIS 11 HD1 HIS 11 49.171 9.040 -3.135 83 HD2 HIS 11 HD2 HIS 11 47.855 5.743 -0.878 84 HE1 HIS 11 HE1 HIS 11 50.416 6.981 -3.996 85 H ALA 12 HN ALA 12 48.787 11.083 1.636 86 HA ALA 12 HA ALA 12 51.263 9.748 2.217 87 HB1 ALA 12 HB1 ALA 12 51.111 10.833 4.381 88 HB2 ALA 12 HB2 ALA 12 49.370 11.125 4.153 89 HB3 ALA 12 HB3 ALA 12 50.556 11.966 3.126 90 H GLY 13 HN GLY 13 48.239 8.454 2.096 91 HA2 GLY 13 HA1 GLY 13 49.017 6.048 3.442 92 HA3 GLY 13 HA2 GLY 13 47.952 6.994 4.501 93 H LYS 14 HN LYS 14 45.990 7.967 3.175 94 HA LYS 14 HA LYS 14 44.983 6.325 1.012 95 HB2 LYS 14 HB2 LYS 14 43.037 5.386 2.415 96 HB3 LYS 14 HB1 LYS 14 44.620 4.597 2.610 97 HG2 LYS 14 HG2 LYS 14 45.059 5.883 4.646 98 HG3 LYS 14 HG1 LYS 14 43.547 6.797 4.431 99 HD2 LYS 14 HD2 LYS 14 42.246 4.697 4.640 100 HD3 LYS 14 HD1 LYS 14 43.759 3.784 4.859 101 HE2 LYS 14 HE2 LYS 14 42.796 4.233 7.055 102 HE3 LYS 14 HE1 LYS 14 44.267 5.217 6.866 103 HZ1 LYS 14 HZ1 LYS 14 43.074 7.057 7.090 104 HZ2 LYS 14 HZ2 LYS 14 41.712 6.106 7.455 105 HZ3 LYS 14 HZ3 LYS 14 42.005 6.599 5.855 106 H HIS 15 HN HIS 15 45.124 8.854 0.764 107 HA HIS 15 HA HIS 15 43.946 10.830 0.480 108 HB2 HIS 15 HB2 HIS 15 41.483 9.071 0.793 109 HB3 HIS 15 HB1 HIS 15 41.583 10.645 -0.033 110 HD1 HIS 15 HD1 HIS 15 44.633 9.495 -1.071 111 HD2 HIS 15 HD2 HIS 15 40.756 8.100 -1.919 112 HE1 HIS 15 HE1 HIS 15 44.759 8.176 -3.256 113 H ALA 16 HN ALA 16 44.224 9.354 3.310 114 HA ALA 16 HA ALA 16 43.305 11.651 4.814 115 HB1 ALA 16 HB1 ALA 16 41.109 10.684 4.524 116 HB2 ALA 16 HB2 ALA 16 41.631 10.404 6.202 117 HB3 ALA 16 HB3 ALA 16 41.703 9.080 5.016 118 H GLY 17 HN GLY 17 45.773 10.802 4.754 119 HA2 GLY 17 HA1 GLY 17 46.363 8.678 6.643 120 HA3 GLY 17 HA2 GLY 17 47.513 9.847 5.964 121 H LYS 18 HN LYS 18 44.795 9.628 8.292 122 HA LYS 18 HA LYS 18 44.514 10.626 10.362 123 HB2 LYS 18 HB2 LYS 18 47.527 11.008 10.418 124 HB3 LYS 18 HB1 LYS 18 46.417 10.817 11.798 125 HG2 LYS 18 HG2 LYS 18 45.833 8.506 10.803 126 HG3 LYS 18 HG1 LYS 18 47.251 8.722 9.752 127 HD2 LYS 18 HD2 LYS 18 47.236 8.738 12.803 128 HD3 LYS 18 HD1 LYS 18 47.894 7.460 11.756 129 HE2 LYS 18 HE2 LYS 18 48.933 10.282 12.172 130 HE3 LYS 18 HE1 LYS 18 49.795 8.740 12.379 131 HZ1 LYS 18 HZ1 LYS 18 48.853 9.905 9.807 132 HZ2 LYS 18 HZ2 LYS 18 49.575 8.378 9.973 133 HZ3 LYS 18 HZ3 LYS 18 50.461 9.783 10.331 134 H ALA 19 HN ALA 19 45.411 12.218 7.683 135 HA ALA 19 HA ALA 19 44.555 14.778 8.647 136 HB1 ALA 19 HB1 ALA 19 47.546 14.399 8.288 137 HB2 ALA 19 HB2 ALA 19 46.688 14.976 9.736 138 HB3 ALA 19 HB3 ALA 19 46.746 15.988 8.274 139 H ALA 20 HN ALA 20 44.302 16.291 6.961 140 HA ALA 20 HA ALA 20 43.763 15.239 4.415 141 HB1 ALA 20 HB1 ALA 20 42.907 17.395 5.130 142 HB2 ALA 20 HB2 ALA 20 43.842 17.608 3.631 143 HB3 ALA 20 HB3 ALA 20 44.553 18.066 5.197 144 H LEU 21 HN LEU 21 45.398 13.893 3.661 145 HA LEU 21 HA LEU 21 47.363 13.363 2.553 146 HB2 LEU 21 HB2 LEU 21 46.976 16.269 1.754 147 HB3 LEU 21 HB1 LEU 21 48.355 15.320 1.153 148 HG LEU 21 HG LEU 21 46.840 13.657 0.183 149 HD11 LEU 21 HD11 LEU 21 44.711 15.338 1.564 150 HD12 LEU 21 HD12 LEU 21 44.988 13.582 1.677 151 HD13 LEU 21 HD13 LEU 21 44.317 14.281 0.186 152 HD21 LEU 21 HD21 LEU 21 45.858 16.456 -0.526 153 HD22 LEU 21 HD22 LEU 21 45.898 15.027 -1.586 154 HD23 LEU 21 HD23 LEU 21 47.419 15.790 -1.063 155 H THR 22 HN THR 22 48.306 16.732 3.239 156 HA THR 22 HA THR 22 50.009 15.927 5.497 157 HB THR 22 HB THR 22 51.455 17.065 3.067 158 HG1 THR 22 HG1 THR 22 51.212 15.177 2.208 159 HG21 THR 22 HG21 THR 22 52.537 15.354 5.330 160 HG22 THR 22 HG22 THR 22 52.371 17.117 5.499 161 HG23 THR 22 HG23 THR 22 53.426 16.440 4.238 162 H HIS 23 HN HIS 23 47.872 17.689 5.344 163 HA HIS 23 HA HIS 23 47.279 19.904 5.725 164 HB2 HIS 23 HB2 HIS 23 48.708 19.369 7.725 165 HB3 HIS 23 HB1 HIS 23 50.093 20.089 6.869 166 HD1 HIS 23 HD1 HIS 23 49.949 22.679 6.290 167 HD2 HIS 23 HD2 HIS 23 46.985 21.233 8.896 168 HE1 HIS 23 HE1 HIS 23 48.820 24.707 7.358 169 H TYR 24 HN TYR 24 47.029 20.842 3.741 170 HA TYR 24 HA TYR 24 49.006 22.845 3.007 171 HB2 TYR 24 HB2 TYR 24 50.040 20.760 2.051 172 HB3 TYR 24 HB1 TYR 24 48.589 20.561 1.039 173 HD1 TYR 24 HD1 TYR 24 48.033 22.229 -0.717 174 HD2 TYR 24 HD2 TYR 24 51.670 22.506 1.590 175 HE1 TYR 24 HE1 TYR 24 48.962 23.840 -2.375 176 HE2 TYR 24 HE2 TYR 24 52.599 24.116 -0.068 177 HH TYR 24 HH TYR 24 52.113 25.416 -1.841 178 H LEU 25 HN LEU 25 46.089 20.979 2.351 179 HA LEU 25 HA LEU 25 45.060 22.777 0.315 180 HB2 LEU 25 HB2 LEU 25 43.844 20.624 2.078 181 HB3 LEU 25 HB1 LEU 25 42.827 21.620 1.011 182 HG LEU 25 HG LEU 25 44.124 20.911 -0.948 183 HD11 LEU 25 HD11 LEU 25 45.824 19.508 1.152 184 HD12 LEU 25 HD12 LEU 25 46.346 20.636 -0.125 185 HD13 LEU 25 HD13 LEU 25 45.823 18.991 -0.551 186 HD21 LEU 25 HD21 LEU 25 43.452 18.470 0.751 187 HD22 LEU 25 HD22 LEU 25 43.399 18.600 -1.024 188 HD23 LEU 25 HD23 LEU 25 42.223 19.493 -0.030 Start of MODEL 47 1 H1 GLY 1 HT1 GLY 1 61.677 -5.507 -10.111 2 H2 GLY 1 HT2 GLY 1 62.673 -6.520 -11.043 3 H3 GLY 1 HT3 GLY 1 61.029 -6.894 -10.838 4 HA2 GLY 1 HA1 GLY 1 61.738 -5.893 -13.014 5 HA3 GLY 1 HA2 GLY 1 60.312 -5.228 -12.194 6 H TRP 2 HN TRP 2 61.242 -3.559 -13.934 7 HA TRP 2 HA TRP 2 63.462 -1.929 -13.053 8 HB2 TRP 2 HB2 TRP 2 61.149 -1.073 -14.828 9 HB3 TRP 2 HB1 TRP 2 62.802 -0.413 -14.795 10 HD1 TRP 2 HD1 TRP 2 60.734 -3.282 -16.141 11 HE1 TRP 2 HE1 TRP 2 62.165 -4.747 -17.746 12 HE3 TRP 2 HE3 TRP 2 65.331 -1.223 -15.227 13 HZ2 TRP 2 HZ2 TRP 2 64.933 -4.967 -18.505 14 HZ3 TRP 2 HZ3 TRP 2 67.354 -2.077 -16.403 15 HH2 TRP 2 HH2 TRP 2 67.159 -3.945 -18.039 16 H GLY 3 HN GLY 3 60.023 -0.943 -13.341 17 HA2 GLY 3 HA1 GLY 3 60.334 1.214 -11.475 18 HA3 GLY 3 HA2 GLY 3 58.798 0.550 -12.067 19 H SER 4 HN SER 4 58.017 -1.468 -11.052 20 HA SER 4 HA SER 4 57.328 -2.542 -9.114 21 HB2 SER 4 HB2 SER 4 59.590 -3.537 -9.316 22 HB3 SER 4 HB1 SER 4 60.254 -2.207 -8.343 23 HG SER 4 HG SER 4 59.367 -4.411 -7.407 24 H PHE 5 HN PHE 5 57.927 0.598 -9.226 25 HA PHE 5 HA PHE 5 58.148 1.268 -6.391 26 HB2 PHE 5 HB2 PHE 5 58.875 2.751 -8.305 27 HB3 PHE 5 HB1 PHE 5 57.155 3.018 -8.673 28 HD1 PHE 5 HD1 PHE 5 59.759 3.375 -6.004 29 HD2 PHE 5 HD2 PHE 5 55.842 4.558 -7.381 30 HE1 PHE 5 HE1 PHE 5 59.664 5.124 -4.233 31 HE2 PHE 5 HE2 PHE 5 55.749 6.308 -5.608 32 HZ PHE 5 HZ PHE 5 57.685 6.630 -4.075 33 H PHE 6 HN PHE 6 56.556 0.471 -5.121 34 HA PHE 6 HA PHE 6 53.813 0.227 -5.903 35 HB2 PHE 6 HB2 PHE 6 53.420 0.105 -3.392 36 HB3 PHE 6 HB1 PHE 6 54.621 -1.043 -4.030 37 HD1 PHE 6 HD1 PHE 6 57.058 -0.625 -3.725 38 HD2 PHE 6 HD2 PHE 6 54.077 1.930 -1.930 39 HE1 PHE 6 HE1 PHE 6 58.789 0.330 -2.208 40 HE2 PHE 6 HE2 PHE 6 55.809 2.883 -0.414 41 HZ PHE 6 HZ PHE 6 58.180 2.146 -0.615 42 H LYS 7 HN LYS 7 52.117 1.590 -5.891 43 HA LYS 7 HA LYS 7 52.651 4.438 -5.619 44 HB2 LYS 7 HB2 LYS 7 50.139 2.792 -6.086 45 HB3 LYS 7 HB1 LYS 7 50.085 4.559 -5.907 46 HG2 LYS 7 HG2 LYS 7 50.209 4.031 -8.276 47 HG3 LYS 7 HG1 LYS 7 51.757 4.751 -7.780 48 HD2 LYS 7 HD2 LYS 7 52.887 2.659 -7.820 49 HD3 LYS 7 HD1 LYS 7 51.366 1.732 -7.800 50 HE2 LYS 7 HE2 LYS 7 52.246 3.544 -10.089 51 HE3 LYS 7 HE1 LYS 7 52.483 1.781 -10.056 52 HZ1 LYS 7 HZ1 LYS 7 49.789 2.707 -9.468 53 HZ2 LYS 7 HZ2 LYS 7 50.310 1.400 -10.419 54 HZ3 LYS 7 HZ3 LYS 7 50.314 2.974 -11.058 55 H LYS 8 HN LYS 8 51.922 5.891 -4.077 56 HA LYS 8 HA LYS 8 51.701 4.790 -1.379 57 HB2 LYS 8 HB2 LYS 8 51.468 7.621 -2.472 58 HB3 LYS 8 HB1 LYS 8 51.447 7.206 -0.741 59 HG2 LYS 8 HG2 LYS 8 53.674 6.068 -1.047 60 HG3 LYS 8 HG1 LYS 8 53.702 6.671 -2.721 61 HD2 LYS 8 HD2 LYS 8 53.659 8.979 -1.958 62 HD3 LYS 8 HD1 LYS 8 53.416 8.462 -0.272 63 HE2 LYS 8 HE2 LYS 8 55.627 7.254 -0.391 64 HE3 LYS 8 HE1 LYS 8 55.875 7.965 -2.004 65 HZ1 LYS 8 HZ1 LYS 8 55.245 10.134 -0.596 66 HZ2 LYS 8 HZ2 LYS 8 56.840 9.586 -0.798 67 HZ3 LYS 8 HZ3 LYS 8 55.987 9.218 0.623 68 H ALA 9 HN ALA 9 49.534 4.722 -3.757 69 HA ALA 9 HA ALA 9 47.222 4.635 -3.849 70 HB1 ALA 9 HB1 ALA 9 47.400 4.375 -0.828 71 HB2 ALA 9 HB2 ALA 9 47.641 3.034 -1.973 72 HB3 ALA 9 HB3 ALA 9 46.062 3.848 -1.876 73 H ALA 10 HN ALA 10 45.192 5.738 -3.305 74 HA ALA 10 HA ALA 10 45.634 8.589 -3.105 75 HB1 ALA 10 HB1 ALA 10 43.073 6.963 -2.946 76 HB2 ALA 10 HB2 ALA 10 43.805 7.630 -4.425 77 HB3 ALA 10 HB3 ALA 10 43.170 8.725 -3.172 78 H HIS 11 HN HIS 11 45.721 9.881 -1.389 79 HA HIS 11 HA HIS 11 45.503 8.730 1.286 80 HB2 HIS 11 HB2 HIS 11 45.909 11.576 0.290 81 HB3 HIS 11 HB1 HIS 11 45.947 11.102 2.005 82 HD1 HIS 11 HD1 HIS 11 48.149 11.615 -0.789 83 HD2 HIS 11 HD2 HIS 11 47.957 8.792 2.325 84 HE1 HIS 11 HE1 HIS 11 50.455 10.529 -0.602 85 H ALA 12 HN ALA 12 44.091 9.417 2.964 86 HA ALA 12 HA ALA 12 41.799 11.101 2.431 87 HB1 ALA 12 HB1 ALA 12 41.323 8.099 2.479 88 HB2 ALA 12 HB2 ALA 12 41.098 9.174 1.078 89 HB3 ALA 12 HB3 ALA 12 40.061 9.353 2.514 90 H GLY 13 HN GLY 13 43.951 9.485 4.340 91 HA2 GLY 13 HA1 GLY 13 43.006 10.584 6.774 92 HA3 GLY 13 HA2 GLY 13 42.439 8.904 6.695 93 H LYS 14 HN LYS 14 45.447 10.640 5.773 94 HA LYS 14 HA LYS 14 46.994 9.189 7.789 95 HB2 LYS 14 HB2 LYS 14 46.570 7.547 5.824 96 HB3 LYS 14 HB1 LYS 14 47.682 8.572 4.892 97 HG2 LYS 14 HG2 LYS 14 49.329 8.283 6.879 98 HG3 LYS 14 HG1 LYS 14 48.253 6.978 7.422 99 HD2 LYS 14 HD2 LYS 14 49.675 7.151 4.729 100 HD3 LYS 14 HD1 LYS 14 50.057 6.031 6.059 101 HE2 LYS 14 HE2 LYS 14 47.598 6.079 4.278 102 HE3 LYS 14 HE1 LYS 14 48.733 4.740 4.568 103 HZ1 LYS 14 HZ1 LYS 14 46.950 4.185 5.894 104 HZ2 LYS 14 HZ2 LYS 14 46.605 5.791 6.322 105 HZ3 LYS 14 HZ3 LYS 14 47.944 4.997 7.003 106 H HIS 15 HN HIS 15 49.164 9.480 5.394 107 HA HIS 15 HA HIS 15 50.485 11.725 6.421 108 HB2 HIS 15 HB2 HIS 15 50.484 10.658 3.570 109 HB3 HIS 15 HB1 HIS 15 51.676 11.804 4.228 110 HD1 HIS 15 HD1 HIS 15 52.630 10.815 6.774 111 HD2 HIS 15 HD2 HIS 15 51.580 8.138 3.708 112 HE1 HIS 15 HE1 HIS 15 53.750 8.578 7.297 113 H ALA 16 HN ALA 16 47.545 11.670 4.708 114 HA ALA 16 HA ALA 16 47.486 14.608 4.641 115 HB1 ALA 16 HB1 ALA 16 47.428 12.988 2.073 116 HB2 ALA 16 HB2 ALA 16 48.599 14.250 2.528 117 HB3 ALA 16 HB3 ALA 16 46.903 14.683 2.201 118 H GLY 17 HN GLY 17 45.891 13.692 6.255 119 HA2 GLY 17 HA1 GLY 17 43.270 14.095 5.339 120 HA3 GLY 17 HA2 GLY 17 43.539 12.342 5.274 121 H LYS 18 HN LYS 18 45.480 13.747 7.645 122 HA LYS 18 HA LYS 18 43.540 13.965 9.784 123 HB2 LYS 18 HB2 LYS 18 43.537 11.466 9.353 124 HB3 LYS 18 HB1 LYS 18 45.251 11.450 9.835 125 HG2 LYS 18 HG2 LYS 18 44.679 12.359 12.039 126 HG3 LYS 18 HG1 LYS 18 42.969 12.501 11.565 127 HD2 LYS 18 HD2 LYS 18 42.802 10.070 11.296 128 HD3 LYS 18 HD1 LYS 18 44.536 9.886 11.656 129 HE2 LYS 18 HE2 LYS 18 44.155 10.877 13.912 130 HE3 LYS 18 HE1 LYS 18 42.416 10.989 13.552 131 HZ1 LYS 18 HZ1 LYS 18 43.003 8.978 14.808 132 HZ2 LYS 18 HZ2 LYS 18 44.004 8.468 13.534 133 HZ3 LYS 18 HZ3 LYS 18 42.327 8.607 13.297 134 H ALA 19 HN ALA 19 46.816 13.552 8.592 135 HA ALA 19 HA ALA 19 48.099 14.305 11.106 136 HB1 ALA 19 HB1 ALA 19 49.196 14.369 8.273 137 HB2 ALA 19 HB2 ALA 19 49.200 12.940 9.334 138 HB3 ALA 19 HB3 ALA 19 50.136 14.386 9.783 139 H ALA 20 HN ALA 20 46.989 15.955 8.172 140 HA ALA 20 HA ALA 20 46.912 18.505 9.543 141 HB1 ALA 20 HB1 ALA 20 48.639 19.687 8.381 142 HB2 ALA 20 HB2 ALA 20 48.989 18.283 7.345 143 HB3 ALA 20 HB3 ALA 20 49.387 18.232 9.080 144 H LEU 21 HN LEU 21 45.505 16.494 7.682 145 HA LEU 21 HA LEU 21 44.011 16.601 5.911 146 HB2 LEU 21 HB2 LEU 21 43.967 19.610 6.315 147 HB3 LEU 21 HB1 LEU 21 42.647 18.540 5.782 148 HG LEU 21 HG LEU 21 43.920 18.614 8.554 149 HD11 LEU 21 HD11 LEU 21 42.374 20.480 8.091 150 HD12 LEU 21 HD12 LEU 21 41.638 19.336 9.239 151 HD13 LEU 21 HD13 LEU 21 41.135 19.332 7.531 152 HD21 LEU 21 HD21 LEU 21 41.962 16.989 9.044 153 HD22 LEU 21 HD22 LEU 21 43.350 16.324 8.154 154 HD23 LEU 21 HD23 LEU 21 41.861 16.762 7.281 155 H THR 22 HN THR 22 43.644 19.012 4.189 156 HA THR 22 HA THR 22 45.685 18.293 2.219 157 HB THR 22 HB THR 22 43.793 20.660 1.935 158 HG1 THR 22 HG1 THR 22 43.074 18.205 2.593 159 HG21 THR 22 HG21 THR 22 43.734 19.853 -0.417 160 HG22 THR 22 HG22 THR 22 44.826 18.518 0.019 161 HG23 THR 22 HG23 THR 22 45.397 20.200 0.108 162 H HIS 23 HN HIS 23 46.627 19.507 4.736 163 HA HIS 23 HA HIS 23 48.057 21.194 5.457 164 HB2 HIS 23 HB2 HIS 23 49.445 20.048 3.730 165 HB3 HIS 23 HB1 HIS 23 48.855 21.212 2.520 166 HD1 HIS 23 HD1 HIS 23 49.509 23.765 2.870 167 HD2 HIS 23 HD2 HIS 23 51.504 21.023 5.356 168 HE1 HIS 23 HE1 HIS 23 51.485 24.993 3.926 169 H TYR 24 HN TYR 24 46.451 22.729 6.000 170 HA TYR 24 HA TYR 24 45.462 24.620 4.025 171 HB2 TYR 24 HB2 TYR 24 44.221 24.064 6.095 172 HB3 TYR 24 HB1 TYR 24 45.519 24.804 7.064 173 HD1 TYR 24 HD1 TYR 24 42.712 25.439 4.738 174 HD2 TYR 24 HD2 TYR 24 45.880 27.238 7.052 175 HE1 TYR 24 HE1 TYR 24 41.671 27.680 4.420 176 HE2 TYR 24 HE2 TYR 24 44.840 29.479 6.733 177 HH TYR 24 HH TYR 24 41.614 29.807 5.445 178 H LEU 25 HN LEU 25 46.256 26.524 3.367 179 HA LEU 25 HA LEU 25 48.998 27.203 4.070 180 HB2 LEU 25 HB2 LEU 25 47.030 28.985 2.593 181 HB3 LEU 25 HB1 LEU 25 48.801 28.928 2.441 182 HG LEU 25 HG LEU 25 46.860 26.714 1.631 183 HD11 LEU 25 HD11 LEU 25 47.497 27.292 -0.654 184 HD12 LEU 25 HD12 LEU 25 48.648 28.514 -0.062 185 HD13 LEU 25 HD13 LEU 25 46.900 28.756 0.163 186 HD21 LEU 25 HD21 LEU 25 49.038 25.806 0.553 187 HD22 LEU 25 HD22 LEU 25 48.885 25.640 2.317 188 HD23 LEU 25 HD23 LEU 25 49.901 26.930 1.630 Start of MODEL 48 1 H1 GLY 1 HT1 GLY 1 61.845 -4.478 -10.385 2 H2 GLY 1 HT2 GLY 1 61.693 -3.438 -11.720 3 H3 GLY 1 HT3 GLY 1 60.307 -3.999 -10.913 4 HA2 GLY 1 HA1 GLY 1 60.341 -2.332 -9.549 5 HA3 GLY 1 HA2 GLY 1 61.986 -2.788 -9.057 6 H TRP 2 HN TRP 2 60.351 -0.211 -9.887 7 HA TRP 2 HA TRP 2 62.714 1.123 -11.040 8 HB2 TRP 2 HB2 TRP 2 60.084 1.044 -12.577 9 HB3 TRP 2 HB1 TRP 2 61.510 2.026 -12.993 10 HD1 TRP 2 HD1 TRP 2 60.023 -1.350 -13.466 11 HE1 TRP 2 HE1 TRP 2 61.672 -2.935 -14.703 12 HE3 TRP 2 HE3 TRP 2 64.265 1.496 -13.149 13 HZ2 TRP 2 HZ2 TRP 2 64.458 -2.934 -15.439 14 HZ3 TRP 2 HZ3 TRP 2 66.408 0.684 -14.124 15 HH2 TRP 2 HH2 TRP 2 66.507 -1.526 -15.268 16 H GLY 3 HN GLY 3 59.331 1.197 -9.967 17 HA2 GLY 3 HA1 GLY 3 59.837 3.545 -8.351 18 HA3 GLY 3 HA2 GLY 3 58.890 3.948 -9.797 19 H SER 4 HN SER 4 58.407 0.736 -8.795 20 HA SER 4 HA SER 4 56.524 -0.304 -7.923 21 HB2 SER 4 HB2 SER 4 56.697 2.059 -6.015 22 HB3 SER 4 HB1 SER 4 55.679 0.625 -5.761 23 HG SER 4 HG SER 4 57.650 -0.614 -5.935 24 H PHE 5 HN PHE 5 55.093 -0.136 -9.628 25 HA PHE 5 HA PHE 5 53.633 2.225 -10.301 26 HB2 PHE 5 HB2 PHE 5 52.050 0.612 -11.418 27 HB3 PHE 5 HB1 PHE 5 53.759 0.375 -11.855 28 HD1 PHE 5 HD1 PHE 5 50.874 -0.996 -9.992 29 HD2 PHE 5 HD2 PHE 5 55.032 -1.551 -11.004 30 HE1 PHE 5 HE1 PHE 5 50.759 -3.346 -9.172 31 HE2 PHE 5 HE2 PHE 5 54.918 -3.901 -10.183 32 HZ PHE 5 HZ PHE 5 52.801 -4.774 -9.201 33 H PHE 6 HN PHE 6 52.839 -0.534 -8.165 34 HA PHE 6 HA PHE 6 50.191 0.275 -7.516 35 HB2 PHE 6 HB2 PHE 6 51.159 -1.936 -6.948 36 HB3 PHE 6 HB1 PHE 6 52.217 -1.155 -5.748 37 HD1 PHE 6 HD1 PHE 6 51.312 -0.232 -3.668 38 HD2 PHE 6 HD2 PHE 6 48.731 -2.089 -6.586 39 HE1 PHE 6 HE1 PHE 6 49.477 -0.325 -1.984 40 HE2 PHE 6 HE2 PHE 6 46.895 -2.182 -4.903 41 HZ PHE 6 HZ PHE 6 47.276 -1.322 -2.596 42 H LYS 7 HN LYS 7 53.117 0.659 -5.461 43 HA LYS 7 HA LYS 7 53.632 2.257 -3.869 44 HB2 LYS 7 HB2 LYS 7 53.669 3.722 -5.870 45 HB3 LYS 7 HB1 LYS 7 51.939 4.068 -5.635 46 HG2 LYS 7 HG2 LYS 7 52.332 5.185 -3.556 47 HG3 LYS 7 HG1 LYS 7 53.998 4.566 -3.450 48 HD2 LYS 7 HD2 LYS 7 53.937 6.953 -4.159 49 HD3 LYS 7 HD1 LYS 7 54.648 5.907 -5.409 50 HE2 LYS 7 HE2 LYS 7 52.695 6.001 -6.763 51 HE3 LYS 7 HE1 LYS 7 51.687 6.602 -5.423 52 HZ1 LYS 7 HZ1 LYS 7 52.938 8.660 -5.447 53 HZ2 LYS 7 HZ2 LYS 7 52.286 8.360 -6.988 54 HZ3 LYS 7 HZ3 LYS 7 53.937 8.086 -6.693 55 H LYS 8 HN LYS 8 52.833 3.534 -2.077 56 HA LYS 8 HA LYS 8 50.370 2.410 -1.021 57 HB2 LYS 8 HB2 LYS 8 52.156 4.664 -0.020 58 HB3 LYS 8 HB1 LYS 8 50.821 3.933 0.904 59 HG2 LYS 8 HG2 LYS 8 51.910 1.752 0.859 60 HG3 LYS 8 HG1 LYS 8 53.190 2.372 -0.213 61 HD2 LYS 8 HD2 LYS 8 53.909 3.957 1.544 62 HD3 LYS 8 HD1 LYS 8 52.622 3.358 2.617 63 HE2 LYS 8 HE2 LYS 8 54.958 1.741 1.509 64 HE3 LYS 8 HE1 LYS 8 54.731 2.257 3.197 65 HZ1 LYS 8 HZ1 LYS 8 52.413 1.006 2.690 66 HZ2 LYS 8 HZ2 LYS 8 53.765 0.257 3.398 67 HZ3 LYS 8 HZ3 LYS 8 53.473 0.092 1.732 68 H ALA 9 HN ALA 9 48.393 3.374 -0.644 69 HA ALA 9 HA ALA 9 47.900 6.171 -1.218 70 HB1 ALA 9 HB1 ALA 9 48.198 5.347 -3.535 71 HB2 ALA 9 HB2 ALA 9 46.534 5.901 -3.226 72 HB3 ALA 9 HB3 ALA 9 46.900 4.160 -3.264 73 H ALA 10 HN ALA 10 47.408 4.135 0.834 74 HA ALA 10 HA ALA 10 44.601 3.398 0.721 75 HB1 ALA 10 HB1 ALA 10 46.129 2.119 2.089 76 HB2 ALA 10 HB2 ALA 10 44.938 2.903 3.154 77 HB3 ALA 10 HB3 ALA 10 46.583 3.568 3.015 78 H HIS 11 HN HIS 11 46.453 5.935 2.457 79 HA HIS 11 HA HIS 11 44.263 7.817 2.232 80 HB2 HIS 11 HB2 HIS 11 43.717 7.998 4.634 81 HB3 HIS 11 HB1 HIS 11 43.293 6.391 3.996 82 HD1 HIS 11 HD1 HIS 11 45.522 4.614 4.212 83 HD2 HIS 11 HD2 HIS 11 45.188 7.785 6.952 84 HE1 HIS 11 HE1 HIS 11 46.918 3.999 6.262 85 H ALA 12 HN ALA 12 46.937 6.910 4.462 86 HA ALA 12 HA ALA 12 48.732 8.157 5.227 87 HB1 ALA 12 HB1 ALA 12 49.868 9.575 3.568 88 HB2 ALA 12 HB2 ALA 12 48.432 9.502 2.518 89 HB3 ALA 12 HB3 ALA 12 49.367 8.025 2.855 90 H GLY 13 HN GLY 13 49.546 10.399 5.755 91 HA2 GLY 13 HA1 GLY 13 49.146 12.433 6.775 92 HA3 GLY 13 HA2 GLY 13 47.879 12.688 5.559 93 H LYS 14 HN LYS 14 45.746 11.731 5.970 94 HA LYS 14 HA LYS 14 45.130 10.928 8.730 95 HB2 LYS 14 HB2 LYS 14 45.290 13.394 8.958 96 HB3 LYS 14 HB1 LYS 14 44.084 13.581 7.661 97 HG2 LYS 14 HG2 LYS 14 42.383 12.475 8.974 98 HG3 LYS 14 HG1 LYS 14 43.572 11.989 10.207 99 HD2 LYS 14 HD2 LYS 14 44.006 14.400 10.702 100 HD3 LYS 14 HD1 LYS 14 42.742 14.845 9.529 101 HE2 LYS 14 HE2 LYS 14 41.055 13.633 10.838 102 HE3 LYS 14 HE1 LYS 14 42.304 13.079 11.978 103 HZ1 LYS 14 HZ1 LYS 14 41.034 15.061 12.731 104 HZ2 LYS 14 HZ2 LYS 14 41.695 15.942 11.437 105 HZ3 LYS 14 HZ3 LYS 14 42.708 15.317 12.649 106 H HIS 15 HN HIS 15 43.649 12.413 5.804 107 HA HIS 15 HA HIS 15 42.198 9.991 5.169 108 HB2 HIS 15 HB2 HIS 15 40.904 10.794 7.180 109 HB3 HIS 15 HB1 HIS 15 40.515 12.274 6.272 110 HD1 HIS 15 HD1 HIS 15 38.485 12.187 4.814 111 HD2 HIS 15 HD2 HIS 15 40.018 8.354 5.616 112 HE1 HIS 15 HE1 HIS 15 36.853 10.490 3.819 113 H ALA 16 HN ALA 16 43.916 12.067 3.972 114 HA ALA 16 HA ALA 16 42.411 12.400 1.512 115 HB1 ALA 16 HB1 ALA 16 41.450 14.238 2.932 116 HB2 ALA 16 HB2 ALA 16 42.263 14.806 1.453 117 HB3 ALA 16 HB3 ALA 16 43.081 14.943 3.029 118 H GLY 17 HN GLY 17 45.103 13.694 3.497 119 HA2 GLY 17 HA1 GLY 17 47.373 13.756 3.004 120 HA3 GLY 17 HA2 GLY 17 47.057 12.776 1.558 121 H LYS 18 HN LYS 18 45.896 13.983 -0.255 122 HA LYS 18 HA LYS 18 47.539 16.078 -1.175 123 HB2 LYS 18 HB2 LYS 18 45.942 14.672 -2.541 124 HB3 LYS 18 HB1 LYS 18 44.611 15.665 -1.901 125 HG2 LYS 18 HG2 LYS 18 45.496 17.663 -2.919 126 HG3 LYS 18 HG1 LYS 18 47.023 16.850 -3.338 127 HD2 LYS 18 HD2 LYS 18 45.795 15.324 -4.856 128 HD3 LYS 18 HD1 LYS 18 44.269 16.143 -4.443 129 HE2 LYS 18 HE2 LYS 18 46.692 17.365 -5.831 130 HE3 LYS 18 HE1 LYS 18 45.082 17.078 -6.535 131 HZ1 LYS 18 HZ1 LYS 18 45.045 19.307 -5.936 132 HZ2 LYS 18 HZ2 LYS 18 45.885 19.052 -4.481 133 HZ3 LYS 18 HZ3 LYS 18 44.266 18.559 -4.628 134 H ALA 19 HN ALA 19 45.231 16.134 1.307 135 HA ALA 19 HA ALA 19 45.467 19.082 1.510 136 HB1 ALA 19 HB1 ALA 19 42.734 17.761 1.484 137 HB2 ALA 19 HB2 ALA 19 43.431 18.622 0.090 138 HB3 ALA 19 HB3 ALA 19 43.103 19.497 1.605 139 H ALA 20 HN ALA 20 46.710 17.253 3.081 140 HA ALA 20 HA ALA 20 45.539 17.861 5.688 141 HB1 ALA 20 HB1 ALA 20 45.804 14.931 4.942 142 HB2 ALA 20 HB2 ALA 20 44.258 15.815 4.920 143 HB3 ALA 20 HB3 ALA 20 45.152 15.621 6.447 144 H LEU 21 HN LEU 21 47.716 15.462 4.120 145 HA LEU 21 HA LEU 21 49.651 15.372 6.162 146 HB2 LEU 21 HB2 LEU 21 49.715 13.799 4.330 147 HB3 LEU 21 HB1 LEU 21 49.919 15.104 3.141 148 HG LEU 21 HG LEU 21 52.152 15.599 3.960 149 HD11 LEU 21 HD11 LEU 21 51.997 15.355 6.327 150 HD12 LEU 21 HD12 LEU 21 53.094 14.050 5.824 151 HD13 LEU 21 HD13 LEU 21 51.392 13.686 6.203 152 HD21 LEU 21 HD21 LEU 21 51.937 13.700 2.392 153 HD22 LEU 21 HD22 LEU 21 51.714 12.585 3.762 154 HD23 LEU 21 HD23 LEU 21 53.270 13.421 3.538 155 H THR 22 HN THR 22 50.034 17.191 3.086 156 HA THR 22 HA THR 22 52.036 18.950 4.338 157 HB THR 22 HB THR 22 52.480 18.454 2.052 158 HG1 THR 22 HG1 THR 22 51.198 20.851 1.537 159 HG21 THR 22 HG21 THR 22 49.544 19.116 1.612 160 HG22 THR 22 HG22 THR 22 50.373 17.567 1.324 161 HG23 THR 22 HG23 THR 22 50.711 18.965 0.276 162 H HIS 23 HN HIS 23 50.117 19.436 5.969 163 HA HIS 23 HA HIS 23 49.385 22.190 5.459 164 HB2 HIS 23 HB2 HIS 23 47.676 21.078 4.036 165 HB3 HIS 23 HB1 HIS 23 47.110 20.166 5.457 166 HD1 HIS 23 HD1 HIS 23 45.623 21.358 7.151 167 HD2 HIS 23 HD2 HIS 23 47.247 23.965 4.280 168 HE1 HIS 23 HE1 HIS 23 44.435 23.606 7.405 169 H TYR 24 HN TYR 24 49.577 23.098 7.389 170 HA TYR 24 HA TYR 24 49.638 21.545 9.815 171 HB2 TYR 24 HB2 TYR 24 49.208 24.546 9.573 172 HB3 TYR 24 HB1 TYR 24 49.913 23.653 10.942 173 HD1 TYR 24 HD1 TYR 24 52.118 22.458 10.653 174 HD2 TYR 24 HD2 TYR 24 50.546 25.144 7.661 175 HE1 TYR 24 HE1 TYR 24 54.378 22.628 9.618 176 HE2 TYR 24 HE2 TYR 24 52.806 25.315 6.628 177 HH TYR 24 HH TYR 24 55.054 23.441 6.775 178 H LEU 25 HN LEU 25 48.204 23.260 11.592 179 HA LEU 25 HA LEU 25 45.590 21.988 11.401 180 HB2 LEU 25 HB2 LEU 25 46.309 24.271 13.269 181 HB3 LEU 25 HB1 LEU 25 45.169 22.928 13.535 182 HG LEU 25 HG LEU 25 48.208 22.730 13.345 183 HD11 LEU 25 HD11 LEU 25 46.300 22.114 15.643 184 HD12 LEU 25 HD12 LEU 25 47.213 23.635 15.481 185 HD13 LEU 25 HD13 LEU 25 48.079 22.093 15.692 186 HD21 LEU 25 HD21 LEU 25 47.695 20.293 14.036 187 HD22 LEU 25 HD22 LEU 25 47.347 20.727 12.347 188 HD23 LEU 25 HD23 LEU 25 46.020 20.616 13.529 Start of MODEL 49 1 H1 GLY 1 HT1 GLY 1 60.575 0.568 -0.280 2 H2 GLY 1 HT2 GLY 1 61.420 2.028 -0.067 3 H3 GLY 1 HT3 GLY 1 61.812 0.993 -1.356 4 HA2 GLY 1 HA1 GLY 1 59.177 1.425 -1.693 5 HA3 GLY 1 HA2 GLY 1 59.805 2.991 -1.144 6 H TRP 2 HN TRP 2 59.196 3.737 -3.292 7 HA TRP 2 HA TRP 2 61.499 3.798 -5.034 8 HB2 TRP 2 HB2 TRP 2 60.658 1.533 -5.625 9 HB3 TRP 2 HB1 TRP 2 59.088 2.249 -6.063 10 HD1 TRP 2 HD1 TRP 2 58.851 3.102 -8.452 11 HE1 TRP 2 HE1 TRP 2 60.443 3.563 -10.456 12 HE3 TRP 2 HE3 TRP 2 63.338 2.347 -6.106 13 HZ2 TRP 2 HZ2 TRP 2 63.281 3.592 -10.940 14 HZ3 TRP 2 HZ3 TRP 2 65.476 2.597 -7.359 15 HH2 TRP 2 HH2 TRP 2 65.451 3.218 -9.772 16 H GLY 3 HN GLY 3 58.005 3.741 -5.827 17 HA2 GLY 3 HA1 GLY 3 57.671 6.590 -5.664 18 HA3 GLY 3 HA2 GLY 3 58.044 6.122 -7.335 19 H SER 4 HN SER 4 56.223 4.269 -4.898 20 HA SER 4 HA SER 4 54.063 3.433 -4.969 21 HB2 SER 4 HB2 SER 4 52.326 4.979 -5.391 22 HB3 SER 4 HB1 SER 4 53.690 6.002 -4.892 23 HG SER 4 HG SER 4 53.733 6.824 -6.829 24 H PHE 5 HN PHE 5 52.311 2.607 -6.389 25 HA PHE 5 HA PHE 5 52.654 2.641 -9.260 26 HB2 PHE 5 HB2 PHE 5 54.623 1.210 -8.539 27 HB3 PHE 5 HB1 PHE 5 53.446 0.036 -7.904 28 HD1 PHE 5 HD1 PHE 5 54.840 1.612 -10.951 29 HD2 PHE 5 HD2 PHE 5 51.987 -1.240 -9.413 30 HE1 PHE 5 HE1 PHE 5 54.548 0.669 -13.239 31 HE2 PHE 5 HE2 PHE 5 51.695 -2.182 -11.701 32 HZ PHE 5 HZ PHE 5 52.949 -1.203 -13.620 33 H PHE 6 HN PHE 6 51.345 1.259 -6.311 34 HA PHE 6 HA PHE 6 49.349 -0.427 -7.437 35 HB2 PHE 6 HB2 PHE 6 49.343 1.216 -4.876 36 HB3 PHE 6 HB1 PHE 6 48.139 -0.034 -5.273 37 HD1 PHE 6 HD1 PHE 6 48.736 -2.405 -5.311 38 HD2 PHE 6 HD2 PHE 6 51.691 0.614 -4.426 39 HE1 PHE 6 HE1 PHE 6 50.291 -4.169 -4.485 40 HE2 PHE 6 HE2 PHE 6 53.245 -1.150 -3.601 41 HZ PHE 6 HZ PHE 6 52.577 -3.548 -3.711 42 H LYS 7 HN LYS 7 47.216 -0.127 -8.028 43 HA LYS 7 HA LYS 7 46.612 2.412 -9.268 44 HB2 LYS 7 HB2 LYS 7 44.756 0.085 -8.625 45 HB3 LYS 7 HB1 LYS 7 44.447 1.391 -9.793 46 HG2 LYS 7 HG2 LYS 7 46.444 0.700 -11.093 47 HG3 LYS 7 HG1 LYS 7 46.739 -0.616 -9.931 48 HD2 LYS 7 HD2 LYS 7 44.448 -1.518 -10.456 49 HD3 LYS 7 HD1 LYS 7 44.295 -0.275 -11.722 50 HE2 LYS 7 HE2 LYS 7 45.073 -2.390 -12.711 51 HE3 LYS 7 HE1 LYS 7 46.356 -1.161 -12.813 52 HZ1 LYS 7 HZ1 LYS 7 47.636 -2.254 -11.335 53 HZ2 LYS 7 HZ2 LYS 7 46.737 -3.605 -11.836 54 HZ3 LYS 7 HZ3 LYS 7 46.328 -2.794 -10.401 55 H LYS 8 HN LYS 8 44.522 0.712 -6.909 56 HA LYS 8 HA LYS 8 43.392 3.231 -6.002 57 HB2 LYS 8 HB2 LYS 8 42.176 1.030 -6.028 58 HB3 LYS 8 HB1 LYS 8 43.218 0.492 -4.687 59 HG2 LYS 8 HG2 LYS 8 42.424 2.343 -3.284 60 HG3 LYS 8 HG1 LYS 8 41.446 2.975 -4.629 61 HD2 LYS 8 HD2 LYS 8 40.137 0.864 -4.664 62 HD3 LYS 8 HD1 LYS 8 41.101 0.252 -3.297 63 HE2 LYS 8 HE2 LYS 8 38.910 1.244 -2.578 64 HE3 LYS 8 HE1 LYS 8 40.314 2.075 -1.867 65 HZ1 LYS 8 HZ1 LYS 8 40.091 3.851 -3.352 66 HZ2 LYS 8 HZ2 LYS 8 38.498 3.513 -2.870 67 HZ3 LYS 8 HZ3 LYS 8 39.057 2.998 -4.389 68 H ALA 9 HN ALA 9 43.967 4.528 -4.376 69 HA ALA 9 HA ALA 9 45.473 3.557 -2.080 70 HB1 ALA 9 HB1 ALA 9 46.927 5.476 -3.924 71 HB2 ALA 9 HB2 ALA 9 47.233 3.722 -3.895 72 HB3 ALA 9 HB3 ALA 9 47.541 4.706 -2.443 73 H ALA 10 HN ALA 10 43.632 4.512 -1.082 74 HA ALA 10 HA ALA 10 42.939 7.280 -1.457 75 HB1 ALA 10 HB1 ALA 10 42.495 5.616 1.038 76 HB2 ALA 10 HB2 ALA 10 41.503 5.466 -0.432 77 HB3 ALA 10 HB3 ALA 10 41.540 7.003 0.464 78 H HIS 11 HN HIS 11 44.363 8.872 -1.154 79 HA HIS 11 HA HIS 11 46.465 8.681 0.877 80 HB2 HIS 11 HB2 HIS 11 45.601 11.148 -0.673 81 HB3 HIS 11 HB1 HIS 11 47.191 10.809 0.052 82 HD1 HIS 11 HD1 HIS 11 45.197 10.367 -3.035 83 HD2 HIS 11 HD2 HIS 11 48.622 8.629 -1.316 84 HE1 HIS 11 HE1 HIS 11 46.376 9.033 -4.868 85 H ALA 12 HN ALA 12 46.217 9.093 2.966 86 HA ALA 12 HA ALA 12 44.718 11.435 3.863 87 HB1 ALA 12 HB1 ALA 12 43.666 8.702 4.668 88 HB2 ALA 12 HB2 ALA 12 42.898 9.755 3.456 89 HB3 ALA 12 HB3 ALA 12 43.025 10.289 5.150 90 H GLY 13 HN GLY 13 47.062 9.079 4.120 91 HA2 GLY 13 HA1 GLY 13 48.345 10.201 6.344 92 HA3 GLY 13 HA2 GLY 13 47.327 8.898 6.988 93 H LYS 14 HN LYS 14 49.805 9.619 4.514 94 HA LYS 14 HA LYS 14 51.340 7.284 5.276 95 HB2 LYS 14 HB2 LYS 14 49.350 6.362 3.883 96 HB3 LYS 14 HB1 LYS 14 50.151 7.113 2.483 97 HG2 LYS 14 HG2 LYS 14 52.285 5.839 3.267 98 HG3 LYS 14 HG1 LYS 14 51.185 4.898 4.298 99 HD2 LYS 14 HD2 LYS 14 50.961 5.199 1.269 100 HD3 LYS 14 HD1 LYS 14 51.558 3.761 2.129 101 HE2 LYS 14 HE2 LYS 14 49.282 3.765 3.365 102 HE3 LYS 14 HE1 LYS 14 48.746 4.914 2.113 103 HZ1 LYS 14 HZ1 LYS 14 48.198 2.750 1.369 104 HZ2 LYS 14 HZ2 LYS 14 49.741 2.139 1.729 105 HZ3 LYS 14 HZ3 LYS 14 49.536 3.239 0.451 106 H HIS 15 HN HIS 15 51.920 7.293 2.097 107 HA HIS 15 HA HIS 15 54.303 8.862 2.300 108 HB2 HIS 15 HB2 HIS 15 52.758 7.995 -0.177 109 HB3 HIS 15 HB1 HIS 15 54.440 8.577 -0.152 110 HD1 HIS 15 HD1 HIS 15 55.543 7.123 2.319 111 HD2 HIS 15 HD2 HIS 15 53.184 5.278 -0.632 112 HE1 HIS 15 HE1 HIS 15 55.982 4.609 2.455 113 H ALA 16 HN ALA 16 51.045 9.798 1.953 114 HA ALA 16 HA ALA 16 51.106 11.995 0.223 115 HB1 ALA 16 HB1 ALA 16 49.717 12.004 2.918 116 HB2 ALA 16 HB2 ALA 16 49.138 11.066 1.523 117 HB3 ALA 16 HB3 ALA 16 49.226 12.839 1.428 118 H GLY 17 HN GLY 17 51.245 12.491 3.772 119 HA2 GLY 17 HA1 GLY 17 52.599 13.890 5.028 120 HA3 GLY 17 HA2 GLY 17 53.717 13.983 3.654 121 H LYS 18 HN LYS 18 52.963 15.386 1.787 122 HA LYS 18 HA LYS 18 52.297 18.004 2.911 123 HB2 LYS 18 HB2 LYS 18 53.932 17.437 0.967 124 HB3 LYS 18 HB1 LYS 18 52.476 17.347 -0.051 125 HG2 LYS 18 HG2 LYS 18 51.859 19.667 0.726 126 HG3 LYS 18 HG1 LYS 18 53.408 19.741 1.598 127 HD2 LYS 18 HD2 LYS 18 54.601 19.308 -0.564 128 HD3 LYS 18 HD1 LYS 18 53.033 19.374 -1.406 129 HE2 LYS 18 HE2 LYS 18 54.303 21.617 0.226 130 HE3 LYS 18 HE1 LYS 18 54.136 21.564 -1.546 131 HZ1 LYS 18 HZ1 LYS 18 51.617 21.134 -0.778 132 HZ2 LYS 18 HZ2 LYS 18 52.249 22.677 -1.106 133 HZ3 LYS 18 HZ3 LYS 18 52.141 22.122 0.497 134 H ALA 19 HN ALA 19 50.179 16.318 3.435 135 HA ALA 19 HA ALA 19 47.996 17.813 2.289 136 HB1 ALA 19 HB1 ALA 19 48.087 14.908 1.427 137 HB2 ALA 19 HB2 ALA 19 48.615 16.244 0.378 138 HB3 ALA 19 HB3 ALA 19 46.927 16.165 0.939 139 H ALA 20 HN ALA 20 48.729 14.502 3.490 140 HA ALA 20 HA ALA 20 46.363 14.477 5.192 141 HB1 ALA 20 HB1 ALA 20 47.410 12.428 4.238 142 HB2 ALA 20 HB2 ALA 20 47.254 12.361 6.010 143 HB3 ALA 20 HB3 ALA 20 48.834 12.708 5.267 144 H LEU 21 HN LEU 21 49.831 14.169 6.073 145 HA LEU 21 HA LEU 21 49.265 15.272 8.751 146 HB2 LEU 21 HB2 LEU 21 51.993 14.665 7.556 147 HB3 LEU 21 HB1 LEU 21 51.516 14.690 9.271 148 HG LEU 21 HG LEU 21 50.531 12.700 7.174 149 HD11 LEU 21 HD11 LEU 21 52.432 12.405 9.542 150 HD12 LEU 21 HD12 LEU 21 52.884 12.345 7.822 151 HD13 LEU 21 HD13 LEU 21 51.852 11.073 8.516 152 HD21 LEU 21 HD21 LEU 21 48.769 12.972 8.771 153 HD22 LEU 21 HD22 LEU 21 49.910 13.113 10.130 154 HD23 LEU 21 HD23 LEU 21 49.667 11.543 9.327 155 H THR 22 HN THR 22 48.432 17.319 7.627 156 HA THR 22 HA THR 22 50.549 19.339 7.876 157 HB THR 22 HB THR 22 49.111 19.106 5.197 158 HG1 THR 22 HG1 THR 22 51.821 18.868 5.208 159 HG21 THR 22 HG21 THR 22 51.335 20.902 6.254 160 HG22 THR 22 HG22 THR 22 49.681 21.398 5.819 161 HG23 THR 22 HG23 THR 22 50.806 20.841 4.556 162 H HIS 23 HN HIS 23 47.351 18.984 6.252 163 HA HIS 23 HA HIS 23 46.032 20.555 8.336 164 HB2 HIS 23 HB2 HIS 23 45.362 22.410 6.758 165 HB3 HIS 23 HB1 HIS 23 47.080 22.426 7.225 166 HD1 HIS 23 HD1 HIS 23 45.450 20.149 4.614 167 HD2 HIS 23 HD2 HIS 23 48.277 23.252 4.853 168 HE1 HIS 23 HE1 HIS 23 46.473 20.429 2.290 169 H TYR 24 HN TYR 24 43.734 21.173 7.547 170 HA TYR 24 HA TYR 24 42.537 18.707 6.558 171 HB2 TYR 24 HB2 TYR 24 41.517 20.259 8.279 172 HB3 TYR 24 HB1 TYR 24 41.205 21.413 6.961 173 HD1 TYR 24 HD1 TYR 24 40.582 17.869 8.044 174 HD2 TYR 24 HD2 TYR 24 39.287 21.156 5.564 175 HE1 TYR 24 HE1 TYR 24 38.518 16.608 7.450 176 HE2 TYR 24 HE2 TYR 24 37.222 19.895 4.970 177 HH TYR 24 HH TYR 24 36.210 17.056 6.485 178 H LEU 25 HN LEU 25 43.236 21.927 5.242 179 HA LEU 25 HA LEU 25 41.686 21.627 2.835 180 HB2 LEU 25 HB2 LEU 25 44.247 23.245 3.060 181 HB3 LEU 25 HB1 LEU 25 42.811 23.570 2.061 182 HG LEU 25 HG LEU 25 43.005 23.726 5.101 183 HD11 LEU 25 HD11 LEU 25 43.955 25.650 3.886 184 HD12 LEU 25 HD12 LEU 25 42.433 26.113 4.685 185 HD13 LEU 25 HD13 LEU 25 42.461 25.804 2.932 186 HD21 LEU 25 HD21 LEU 25 40.591 24.615 4.822 187 HD22 LEU 25 HD22 LEU 25 40.816 22.860 4.649 188 HD23 LEU 25 HD23 LEU 25 40.625 23.878 3.202 Start of MODEL 50 1 H1 GLY 1 HT1 GLY 1 60.152 -8.441 -6.863 2 H2 GLY 1 HT2 GLY 1 58.594 -8.622 -6.208 3 H3 GLY 1 HT3 GLY 1 59.590 -7.339 -5.705 4 HA2 GLY 1 HA1 GLY 1 57.863 -7.563 -7.950 5 HA3 GLY 1 HA2 GLY 1 58.526 -6.122 -7.155 6 H TRP 2 HN TRP 2 58.667 -8.206 -9.857 7 HA TRP 2 HA TRP 2 61.401 -7.596 -10.662 8 HB2 TRP 2 HB2 TRP 2 59.011 -8.618 -12.248 9 HB3 TRP 2 HB1 TRP 2 60.690 -8.561 -12.841 10 HD1 TRP 2 HD1 TRP 2 58.331 -10.639 -10.830 11 HE1 TRP 2 HE1 TRP 2 59.545 -12.702 -9.813 12 HE3 TRP 2 HE3 TRP 2 63.173 -9.282 -11.791 13 HZ2 TRP 2 HZ2 TRP 2 62.258 -13.610 -9.479 14 HZ3 TRP 2 HZ3 TRP 2 65.058 -10.761 -11.115 15 HH2 TRP 2 HH2 TRP 2 64.605 -12.922 -9.961 16 H GLY 3 HN GLY 3 58.194 -6.196 -11.210 17 HA2 GLY 3 HA1 GLY 3 59.251 -3.635 -11.881 18 HA3 GLY 3 HA2 GLY 3 58.864 -4.493 -13.385 19 H SER 4 HN SER 4 57.478 -3.656 -10.188 20 HA SER 4 HA SER 4 55.069 -2.610 -11.449 21 HB2 SER 4 HB2 SER 4 54.786 -5.160 -9.814 22 HB3 SER 4 HB1 SER 4 53.475 -4.215 -10.557 23 HG SER 4 HG SER 4 53.856 -5.626 -12.114 24 H PHE 5 HN PHE 5 55.944 -0.839 -10.182 25 HA PHE 5 HA PHE 5 56.070 -1.064 -7.285 26 HB2 PHE 5 HB2 PHE 5 57.297 0.627 -8.783 27 HB3 PHE 5 HB1 PHE 5 55.749 1.498 -8.897 28 HD1 PHE 5 HD1 PHE 5 58.540 0.517 -6.680 29 HD2 PHE 5 HD2 PHE 5 54.747 2.565 -6.908 30 HE1 PHE 5 HE1 PHE 5 58.981 1.581 -4.471 31 HE2 PHE 5 HE2 PHE 5 55.189 3.627 -4.697 32 HZ PHE 5 HZ PHE 5 57.306 3.136 -3.479 33 H PHE 6 HN PHE 6 54.733 0.348 -5.837 34 HA PHE 6 HA PHE 6 51.948 -0.333 -6.184 35 HB2 PHE 6 HB2 PHE 6 53.332 1.571 -4.255 36 HB3 PHE 6 HB1 PHE 6 51.627 1.074 -4.141 37 HD1 PHE 6 HD1 PHE 6 55.152 -0.046 -3.870 38 HD2 PHE 6 HD2 PHE 6 51.012 -1.202 -3.493 39 HE1 PHE 6 HE1 PHE 6 55.842 -2.130 -2.690 40 HE2 PHE 6 HE2 PHE 6 51.700 -3.286 -2.312 41 HZ PHE 6 HZ PHE 6 54.115 -3.740 -1.895 42 H LYS 7 HN LYS 7 52.920 2.970 -5.348 43 HA LYS 7 HA LYS 7 51.991 4.116 -7.864 44 HB2 LYS 7 HB2 LYS 7 49.811 3.501 -6.849 45 HB3 LYS 7 HB1 LYS 7 50.227 4.451 -5.402 46 HG2 LYS 7 HG2 LYS 7 50.272 6.506 -6.656 47 HG3 LYS 7 HG1 LYS 7 50.190 5.637 -8.207 48 HD2 LYS 7 HD2 LYS 7 47.929 4.901 -7.762 49 HD3 LYS 7 HD1 LYS 7 48.005 5.505 -6.088 50 HE2 LYS 7 HE2 LYS 7 48.216 7.817 -6.904 51 HE3 LYS 7 HE1 LYS 7 48.224 7.241 -8.588 52 HZ1 LYS 7 HZ1 LYS 7 45.997 6.352 -6.935 53 HZ2 LYS 7 HZ2 LYS 7 46.019 6.855 -8.558 54 HZ3 LYS 7 HZ3 LYS 7 46.022 8.006 -7.308 55 H LYS 8 HN LYS 8 53.289 4.225 -4.682 56 HA LYS 8 HA LYS 8 54.581 5.808 -3.596 57 HB2 LYS 8 HB2 LYS 8 55.738 5.750 -5.870 58 HB3 LYS 8 HB1 LYS 8 54.819 7.219 -6.278 59 HG2 LYS 8 HG2 LYS 8 55.776 8.371 -4.304 60 HG3 LYS 8 HG1 LYS 8 56.698 6.904 -3.894 61 HD2 LYS 8 HD2 LYS 8 57.948 7.036 -5.980 62 HD3 LYS 8 HD1 LYS 8 56.943 8.394 -6.542 63 HE2 LYS 8 HE2 LYS 8 58.611 8.490 -3.997 64 HE3 LYS 8 HE1 LYS 8 59.199 9.065 -5.576 65 HZ1 LYS 8 HZ1 LYS 8 57.815 10.556 -3.804 66 HZ2 LYS 8 HZ2 LYS 8 56.578 10.044 -4.850 67 HZ3 LYS 8 HZ3 LYS 8 57.922 10.881 -5.465 68 H ALA 9 HN ALA 9 54.446 7.790 -2.546 69 HA ALA 9 HA ALA 9 53.264 9.580 -1.665 70 HB1 ALA 9 HB1 ALA 9 52.564 11.288 -3.250 71 HB2 ALA 9 HB2 ALA 9 52.592 10.106 -4.581 72 HB3 ALA 9 HB3 ALA 9 54.110 10.582 -3.781 73 H ALA 10 HN ALA 10 51.839 7.579 -1.011 74 HA ALA 10 HA ALA 10 49.214 7.449 -2.281 75 HB1 ALA 10 HB1 ALA 10 48.649 6.033 -0.314 76 HB2 ALA 10 HB2 ALA 10 50.240 6.417 0.387 77 HB3 ALA 10 HB3 ALA 10 50.134 5.506 -1.140 78 H HIS 11 HN HIS 11 47.403 7.413 -0.252 79 HA HIS 11 HA HIS 11 47.003 10.278 0.189 80 HB2 HIS 11 HB2 HIS 11 45.407 7.948 1.316 81 HB3 HIS 11 HB1 HIS 11 44.869 9.632 1.110 82 HD1 HIS 11 HD1 HIS 11 44.062 6.645 -0.361 83 HD2 HIS 11 HD2 HIS 11 45.625 10.194 -1.986 84 HE1 HIS 11 HE1 HIS 11 43.561 6.621 -2.866 85 H ALA 12 HN ALA 12 49.258 8.643 1.546 86 HA ALA 12 HA ALA 12 48.649 8.613 4.364 87 HB1 ALA 12 HB1 ALA 12 51.091 8.432 4.648 88 HB2 ALA 12 HB2 ALA 12 51.320 8.847 2.933 89 HB3 ALA 12 HB3 ALA 12 50.501 7.332 3.383 90 H GLY 13 HN GLY 13 49.291 11.141 2.127 91 HA2 GLY 13 HA1 GLY 13 48.770 13.222 3.933 92 HA3 GLY 13 HA2 GLY 13 50.533 13.011 3.936 93 H LYS 14 HN LYS 14 47.775 14.232 2.259 94 HA LYS 14 HA LYS 14 49.479 15.756 0.460 95 HB2 LYS 14 HB2 LYS 14 49.434 13.481 -0.647 96 HB3 LYS 14 HB1 LYS 14 47.673 13.676 -0.829 97 HG2 LYS 14 HG2 LYS 14 48.033 15.765 -2.111 98 HG3 LYS 14 HG1 LYS 14 49.795 15.573 -1.931 99 HD2 LYS 14 HD2 LYS 14 49.697 13.419 -3.137 100 HD3 LYS 14 HD1 LYS 14 47.932 13.583 -3.302 101 HE2 LYS 14 HE2 LYS 14 49.052 14.318 -5.371 102 HE3 LYS 14 HE1 LYS 14 48.262 15.700 -4.573 103 HZ1 LYS 14 HZ1 LYS 14 50.229 16.695 -4.551 104 HZ2 LYS 14 HZ2 LYS 14 51.004 15.320 -5.177 105 HZ3 LYS 14 HZ3 LYS 14 50.815 15.502 -3.498 106 H HIS 15 HN HIS 15 46.267 14.506 1.310 107 HA HIS 15 HA HIS 15 45.170 17.204 1.311 108 HB2 HIS 15 HB2 HIS 15 45.158 16.690 -1.139 109 HB3 HIS 15 HB1 HIS 15 44.127 15.279 -0.803 110 HD1 HIS 15 HD1 HIS 15 44.141 19.080 -0.219 111 HD2 HIS 15 HD2 HIS 15 41.429 15.894 -0.658 112 HE1 HIS 15 HE1 HIS 15 41.791 20.083 -0.282 113 H ALA 16 HN ALA 16 45.436 14.294 2.586 114 HA ALA 16 HA ALA 16 42.969 14.540 4.111 115 HB1 ALA 16 HB1 ALA 16 43.263 12.176 2.223 116 HB2 ALA 16 HB2 ALA 16 42.047 13.471 2.105 117 HB3 ALA 16 HB3 ALA 16 42.020 12.347 3.485 118 H GLY 17 HN GLY 17 45.708 14.576 4.754 119 HA2 GLY 17 HA1 GLY 17 46.410 11.904 5.796 120 HA3 GLY 17 HA2 GLY 17 47.357 13.397 5.943 121 H LYS 18 HN LYS 18 44.288 11.913 7.049 122 HA LYS 18 HA LYS 18 43.200 12.075 9.091 123 HB2 LYS 18 HB2 LYS 18 46.069 12.417 10.056 124 HB3 LYS 18 HB1 LYS 18 44.672 12.129 11.120 125 HG2 LYS 18 HG2 LYS 18 44.187 10.020 9.875 126 HG3 LYS 18 HG1 LYS 18 45.639 10.295 8.883 127 HD2 LYS 18 HD2 LYS 18 47.020 10.307 10.974 128 HD3 LYS 18 HD1 LYS 18 45.557 9.912 11.907 129 HE2 LYS 18 HE2 LYS 18 46.832 7.861 11.405 130 HE3 LYS 18 HE1 LYS 18 45.266 7.843 10.557 131 HZ1 LYS 18 HZ1 LYS 18 47.322 9.117 9.024 132 HZ2 LYS 18 HZ2 LYS 18 46.285 7.842 8.595 133 HZ3 LYS 18 HZ3 LYS 18 47.736 7.520 9.417 134 H ALA 19 HN ALA 19 45.831 14.238 10.083 135 HA ALA 19 HA ALA 19 43.871 16.305 10.798 136 HB1 ALA 19 HB1 ALA 19 46.903 16.429 10.827 137 HB2 ALA 19 HB2 ALA 19 45.909 15.775 12.151 138 HB3 ALA 19 HB3 ALA 19 45.774 17.492 11.699 139 H ALA 20 HN ALA 20 45.082 15.384 7.892 140 HA ALA 20 HA ALA 20 45.390 16.464 5.865 141 HB1 ALA 20 HB1 ALA 20 43.968 18.399 5.433 142 HB2 ALA 20 HB2 ALA 20 43.726 18.641 7.180 143 HB3 ALA 20 HB3 ALA 20 43.071 17.191 6.382 144 H LEU 21 HN LEU 21 47.619 16.757 6.003 145 HA LEU 21 HA LEU 21 49.592 17.973 6.124 146 HB2 LEU 21 HB2 LEU 21 47.548 20.117 5.457 147 HB3 LEU 21 HB1 LEU 21 49.273 20.514 5.636 148 HG LEU 21 HG LEU 21 49.876 18.951 3.868 149 HD11 LEU 21 HD11 LEU 21 46.933 18.187 4.011 150 HD12 LEU 21 HD12 LEU 21 48.359 17.130 4.154 151 HD13 LEU 21 HD13 LEU 21 47.929 17.833 2.579 152 HD21 LEU 21 HD21 LEU 21 49.114 21.229 3.215 153 HD22 LEU 21 HD22 LEU 21 47.450 20.617 3.056 154 HD23 LEU 21 HD23 LEU 21 48.725 20.025 1.964 155 H THR 22 HN THR 22 47.736 20.712 7.366 156 HA THR 22 HA THR 22 48.584 20.139 10.163 157 HB THR 22 HB THR 22 49.666 22.350 10.417 158 HG1 THR 22 HG1 THR 22 50.198 22.992 7.941 159 HG21 THR 22 HG21 THR 22 50.960 20.253 9.743 160 HG22 THR 22 HG22 THR 22 51.750 21.802 9.357 161 HG23 THR 22 HG23 THR 22 50.929 20.875 8.077 162 H HIS 23 HN HIS 23 46.074 19.936 9.605 163 HA HIS 23 HA HIS 23 43.954 20.817 9.939 164 HB2 HIS 23 HB2 HIS 23 44.984 21.161 12.201 165 HB3 HIS 23 HB1 HIS 23 45.422 22.815 11.704 166 HD1 HIS 23 HD1 HIS 23 42.298 21.948 10.091 167 HD2 HIS 23 HD2 HIS 23 43.373 23.259 13.940 168 HE1 HIS 23 HE1 HIS 23 40.196 22.905 11.185 169 H TYR 24 HN TYR 24 43.494 21.557 7.878 170 HA TYR 24 HA TYR 24 43.118 24.434 7.673 171 HB2 TYR 24 HB2 TYR 24 45.510 24.345 7.089 172 HB3 TYR 24 HB1 TYR 24 45.168 23.126 5.837 173 HD1 TYR 24 HD1 TYR 24 44.347 23.773 3.677 174 HD2 TYR 24 HD2 TYR 24 44.457 26.649 6.894 175 HE1 TYR 24 HE1 TYR 24 43.802 25.596 2.067 176 HE2 TYR 24 HE2 TYR 24 43.914 28.471 5.282 177 HH TYR 24 HH TYR 24 42.520 28.027 2.477 178 H LEU 25 HN LEU 25 41.659 24.984 6.061 179 HA LEU 25 HA LEU 25 40.932 23.065 3.981 180 HB2 LEU 25 HB2 LEU 25 39.840 22.157 6.113 181 HB3 LEU 25 HB1 LEU 25 38.852 23.633 6.122 182 HG LEU 25 HG LEU 25 38.302 22.967 3.610 183 HD11 LEU 25 HD11 LEU 25 38.202 20.451 3.365 184 HD12 LEU 25 HD12 LEU 25 39.216 20.312 4.817 185 HD13 LEU 25 HD13 LEU 25 39.854 21.103 3.356 186 HD21 LEU 25 HD21 LEU 25 37.183 21.429 5.998 187 HD22 LEU 25 HD22 LEU 25 36.391 21.580 4.412 188 HD23 LEU 25 HD23 LEU 25 36.636 23.022 5.425
Contact the webmaster for help, if required. Monday, June 24, 2024 1:04:00 PM GMT (wattos1)