NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649961 | 6ryq | 34411 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 HT1 TRP 1 44.153 9.454 15.391 2 H2 TRP 1 HT2 TRP 1 44.060 7.950 16.177 3 H3 TRP 1 HT3 TRP 1 42.827 9.102 16.386 4 HA TRP 1 HA TRP 1 43.350 8.390 13.657 5 HB2 TRP 1 HB2 TRP 1 42.160 6.220 13.847 6 HB3 TRP 1 HB1 TRP 1 43.716 6.202 14.710 7 HD1 TRP 1 HD1 TRP 1 39.971 6.026 15.253 8 HE1 TRP 1 HE1 TRP 1 39.452 5.491 17.745 9 HE3 TRP 1 HE3 TRP 1 44.682 6.544 17.188 10 HZ2 TRP 1 HZ2 TRP 1 40.911 5.319 20.220 11 HZ3 TRP 1 HZ3 TRP 1 45.096 6.190 19.618 12 HH2 TRP 1 HH2 TRP 1 43.216 5.579 21.135 13 H LEU 2 HN LEU 2 41.752 9.298 12.547 14 HA LEU 2 HA LEU 2 39.528 10.539 13.931 15 HB2 LEU 2 HB2 LEU 2 39.698 10.029 10.943 16 HB3 LEU 2 HB1 LEU 2 38.874 11.358 11.795 17 HG LEU 2 HG LEU 2 41.889 10.894 11.667 18 HD11 LEU 2 HD11 LEU 2 40.756 11.753 9.577 19 HD12 LEU 2 HD12 LEU 2 41.926 12.894 10.285 20 HD13 LEU 2 HD13 LEU 2 40.180 13.146 10.523 21 HD21 LEU 2 HD21 LEU 2 40.157 12.926 13.137 22 HD22 LEU 2 HD22 LEU 2 41.859 13.258 12.735 23 HD23 LEU 2 HD23 LEU 2 41.447 11.893 13.797 24 H ARG 3 HN ARG 3 39.420 8.208 11.230 25 HA ARG 3 HA ARG 3 37.451 6.532 12.697 26 HB2 ARG 3 HB2 ARG 3 36.149 8.355 11.494 27 HB3 ARG 3 HB1 ARG 3 36.791 7.707 9.966 28 HG2 ARG 3 HG2 ARG 3 35.781 5.520 10.423 29 HG3 ARG 3 HG1 ARG 3 35.213 6.086 12.012 30 HD2 ARG 3 HD2 ARG 3 33.343 6.248 10.492 31 HD3 ARG 3 HD1 ARG 3 33.921 7.905 10.788 32 HE ARG 3 HE ARG 3 35.261 6.872 8.483 33 HH11 ARG 3 HH11 ARG 3 33.026 9.117 9.372 34 HH12 ARG 3 HH12 ARG 3 32.079 9.055 7.924 35 HH21 ARG 3 HH21 ARG 3 33.664 6.226 6.694 36 HH22 ARG 3 HH22 ARG 3 32.441 7.419 6.408 37 H ARG 4 HN ARG 4 39.851 7.185 10.361 38 HA ARG 4 HA ARG 4 40.442 4.370 10.020 39 HB2 ARG 4 HB2 ARG 4 38.443 4.912 8.398 40 HB3 ARG 4 HB1 ARG 4 39.666 5.765 7.432 41 HG2 ARG 4 HG2 ARG 4 41.038 3.676 7.367 42 HG3 ARG 4 HG1 ARG 4 39.767 2.834 8.286 43 HD2 ARG 4 HD2 ARG 4 39.332 4.206 5.598 44 HD3 ARG 4 HD1 ARG 4 39.606 2.460 5.806 45 HE ARG 4 HE ARG 4 37.113 3.853 6.307 46 HH11 ARG 4 HH11 ARG 4 39.154 1.205 7.137 47 HH12 ARG 4 HH12 ARG 4 37.894 0.301 7.907 48 HH21 ARG 4 HH21 ARG 4 35.473 2.731 7.397 49 HH22 ARG 4 HH22 ARG 4 35.810 1.164 8.054 50 H ILE 5 HN ILE 5 41.340 7.355 10.525 51 HA ILE 5 HA ILE 5 43.319 8.529 10.251 52 HB ILE 5 HB ILE 5 44.530 5.995 9.068 53 HG12 ILE 5 HG12 ILE 5 44.057 6.740 11.992 54 HG13 ILE 5 HG11 ILE 5 43.319 5.377 11.117 55 HG21 ILE 5 HG21 ILE 5 45.785 8.247 9.118 56 HG22 ILE 5 HG22 ILE 5 46.600 6.871 9.896 57 HG23 ILE 5 HG23 ILE 5 45.773 8.095 10.890 58 HD11 ILE 5 HD1 ILE 5 45.765 4.607 10.653 59 HD12 ILE 5 HD2 ILE 5 45.127 4.393 12.301 60 HD13 ILE 5 HD3 ILE 5 46.218 5.751 11.941 61 H GLY 6 HN GLY 6 43.251 10.085 8.771 62 HA2 GLY 6 HA1 GLY 6 43.583 11.114 6.717 63 HA3 GLY 6 HA2 GLY 6 44.207 9.578 6.084 64 H LYS 7 HN LYS 7 41.035 10.567 7.434 65 HA LYS 7 HA LYS 7 39.555 8.991 5.550 66 HB2 LYS 7 HB2 LYS 7 38.634 9.716 7.714 67 HB3 LYS 7 HB1 LYS 7 38.690 11.413 7.178 68 HG2 LYS 7 HG2 LYS 7 37.028 11.049 5.496 69 HG3 LYS 7 HG1 LYS 7 37.170 9.279 5.625 70 HD2 LYS 7 HD2 LYS 7 35.125 10.075 6.763 71 HD3 LYS 7 HD1 LYS 7 36.266 9.377 7.935 72 HE2 LYS 7 HE2 LYS 7 36.924 11.518 8.743 73 HE3 LYS 7 HE1 LYS 7 36.223 12.358 7.337 74 HZ1 LYS 7 HZ1 LYS 7 34.353 10.740 8.847 75 HZ2 LYS 7 HZ2 LYS 7 34.188 12.317 8.237 76 HZ3 LYS 7 HZ3 LYS 7 34.992 12.052 9.709 77 H GLY 8 HN GLY 8 39.134 12.525 5.799 78 HA2 GLY 8 HA1 GLY 8 38.486 12.711 2.987 79 HA3 GLY 8 HA2 GLY 8 38.700 14.063 4.118 80 H VAL 9 HN VAL 9 39.705 13.133 1.259 81 HA VAL 9 HA VAL 9 42.588 13.113 1.545 82 HB VAL 9 HB VAL 9 40.878 13.780 -0.896 83 HG11 VAL 9 HG11 VAL 9 43.128 14.578 -1.261 84 HG12 VAL 9 HG12 VAL 9 43.009 13.008 -2.087 85 HG13 VAL 9 HG13 VAL 9 43.830 13.125 -0.513 86 HG21 VAL 9 HG21 VAL 9 42.191 11.178 0.006 87 HG22 VAL 9 HG22 VAL 9 41.271 11.420 -1.499 88 HG23 VAL 9 HG23 VAL 9 40.447 11.528 0.075 89 H LYS 10 HN LYS 10 41.149 15.498 -0.623 90 HA LYS 10 HA LYS 10 41.591 17.794 1.045 91 HB2 LYS 10 HB2 LYS 10 43.961 17.214 0.843 92 HB3 LYS 10 HB1 LYS 10 43.812 17.083 -0.921 93 HG2 LYS 10 HG2 LYS 10 44.847 19.237 -0.184 94 HG3 LYS 10 HG1 LYS 10 43.350 19.485 -1.105 95 HD2 LYS 10 HD2 LYS 10 42.106 20.070 0.832 96 HD3 LYS 10 HD1 LYS 10 43.289 19.324 1.932 97 HE2 LYS 10 HE2 LYS 10 43.355 21.857 1.885 98 HE3 LYS 10 HE1 LYS 10 44.904 21.078 1.488 99 HZ1 LYS 10 HZ1 LYS 10 44.654 21.551 -0.755 100 HZ2 LYS 10 HZ2 LYS 10 44.055 22.959 -0.014 101 HZ3 LYS 10 HZ3 LYS 10 42.980 21.801 -0.638 102 H ILE 11 HN ILE 11 40.934 16.182 -1.921 103 HA ILE 11 HA ILE 11 39.670 18.689 -3.008 104 HB ILE 11 HB ILE 11 41.106 16.646 -4.747 105 HG12 ILE 11 HG12 ILE 11 42.131 19.311 -3.662 106 HG13 ILE 11 HG11 ILE 11 42.771 17.698 -3.267 107 HG21 ILE 11 HG21 ILE 11 40.825 18.270 -6.490 108 HG22 ILE 11 HG22 ILE 11 40.372 19.546 -5.335 109 HG23 ILE 11 HG23 ILE 11 39.256 18.198 -5.658 110 HD11 ILE 11 HD1 ILE 11 43.137 17.432 -5.833 111 HD12 ILE 11 HD2 ILE 11 44.244 18.504 -4.944 112 HD13 ILE 11 HD3 ILE 11 42.916 19.197 -5.903 113 H ILE 12 HN ILE 12 39.961 15.129 -3.169 114 HA ILE 12 HA ILE 12 37.245 14.939 -4.372 115 HB ILE 12 HB ILE 12 39.276 12.816 -3.596 116 HG12 ILE 12 HG12 ILE 12 38.573 13.891 -6.372 117 HG13 ILE 12 HG11 ILE 12 39.963 14.457 -5.420 118 HG21 ILE 12 HG21 ILE 12 36.586 12.716 -5.020 119 HG22 ILE 12 HG22 ILE 12 37.178 11.701 -3.685 120 HG23 ILE 12 HG23 ILE 12 37.815 11.468 -5.320 121 HD11 ILE 12 HD1 ILE 12 39.555 11.815 -6.824 122 HD12 ILE 12 HD2 ILE 12 40.492 11.800 -5.312 123 HD13 ILE 12 HD3 ILE 12 41.022 12.804 -6.678 124 H GLY 13 HN GLY 13 38.456 12.494 -2.142 125 HA2 GLY 13 HA1 GLY 13 36.068 12.495 -0.579 126 HA3 GLY 13 HA2 GLY 13 37.629 11.792 -0.091 127 H GLY 14 HN GLY 14 38.422 14.689 -1.009 128 HA2 GLY 14 HA1 GLY 14 38.528 15.817 1.722 129 HA3 GLY 14 HA2 GLY 14 39.313 16.458 0.260 130 H ALA 15 HN ALA 15 37.254 16.673 -1.557 131 HA ALA 15 HA ALA 15 35.709 18.918 -0.311 132 HB1 ALA 15 HB1 ALA 15 35.057 19.479 -2.542 133 HB2 ALA 15 HB2 ALA 15 35.562 17.892 -3.167 134 HB3 ALA 15 HB3 ALA 15 36.784 19.066 -2.613 135 H ALA 16 HN ALA 16 35.412 16.056 0.397 136 HA ALA 16 HA ALA 16 33.639 14.741 1.072 137 HB1 ALA 16 HB1 ALA 16 31.449 15.563 1.119 138 HB2 ALA 16 HB2 ALA 16 31.635 16.460 -0.407 139 HB3 ALA 16 HB3 ALA 16 32.404 17.063 1.080 140 H LEU 17 HN LEU 17 35.185 14.012 -1.061 141 HA LEU 17 HA LEU 17 35.143 12.580 -2.894 142 HB2 LEU 17 HB2 LEU 17 32.183 12.138 -2.336 143 HB3 LEU 17 HB1 LEU 17 33.290 11.057 -3.200 144 HG LEU 17 HG LEU 17 33.849 11.805 -0.304 145 HD11 LEU 17 HD11 LEU 17 32.631 9.689 0.327 146 HD12 LEU 17 HD12 LEU 17 31.962 9.645 -1.321 147 HD13 LEU 17 HD13 LEU 17 31.565 10.998 -0.235 148 HD21 LEU 17 HD21 LEU 17 35.526 10.556 -1.804 149 HD22 LEU 17 HD22 LEU 17 34.361 9.216 -1.834 150 HD23 LEU 17 HD23 LEU 17 35.085 9.732 -0.292 151 H ASP 18 HN ASP 18 34.464 15.449 -3.147 152 HA ASP 18 HA ASP 18 33.699 16.915 -4.777 153 HB2 ASP 18 HB2 ASP 18 34.089 14.398 -6.441 154 HB3 ASP 18 HB1 ASP 18 33.693 15.983 -7.145 155 H HIS 19 HN HIS 19 31.652 16.480 -3.307 156 HA HIS 19 HA HIS 19 29.341 16.220 -3.209 157 HB2 HIS 19 HB2 HIS 19 29.492 16.910 -6.168 158 HB3 HIS 19 HB1 HIS 19 28.112 17.166 -5.073 159 HD1 HIS 19 HD1 HIS 19 29.200 18.499 -2.667 160 HD2 HIS 19 HD2 HIS 19 30.622 19.403 -6.518 161 HE1 HIS 19 HE1 HIS 19 30.323 20.791 -2.544 162 H LEU 20 HN LEU 20 30.616 13.782 -3.442 163 HA LEU 20 HA LEU 20 30.246 11.578 -4.068 164 HB2 LEU 20 HB2 LEU 20 27.468 12.786 -4.287 165 HB3 LEU 20 HB1 LEU 20 27.758 11.058 -4.601 166 HG LEU 20 HG LEU 20 28.675 10.752 -2.359 167 HD11 LEU 20 HD11 LEU 20 28.394 13.779 -2.219 168 HD12 LEU 20 HD12 LEU 20 29.828 12.778 -1.887 169 HD13 LEU 20 HD13 LEU 20 28.467 12.783 -0.745 170 HD21 LEU 20 HD21 LEU 20 26.221 10.621 -2.624 171 HD22 LEU 20 HD22 LEU 20 26.086 12.372 -2.325 172 HD23 LEU 20 HD23 LEU 20 26.641 11.287 -1.027 Start of MODEL 2 1 H1 TRP 1 HT1 TRP 1 32.149 -2.154 -0.529 2 H2 TRP 1 HT2 TRP 1 33.707 -2.142 -1.207 3 H3 TRP 1 HT3 TRP 1 32.530 -1.044 -1.752 4 HA TRP 1 HA TRP 1 32.874 0.376 -0.128 5 HB2 TRP 1 HB2 TRP 1 33.516 -1.871 1.812 6 HB3 TRP 1 HB1 TRP 1 32.959 -0.220 2.176 7 HD1 TRP 1 HD1 TRP 1 30.537 0.113 0.318 8 HE1 TRP 1 HE1 TRP 1 28.367 -1.292 0.596 9 HE3 TRP 1 HE3 TRP 1 32.472 -3.856 2.908 10 HZ2 TRP 1 HZ2 TRP 1 27.608 -3.801 1.791 11 HZ3 TRP 1 HZ3 TRP 1 31.007 -5.744 3.607 12 HH2 TRP 1 HH2 TRP 1 28.578 -5.720 3.051 13 H LEU 2 HN LEU 2 34.655 1.523 -0.453 14 HA LEU 2 HA LEU 2 37.181 0.473 -1.123 15 HB2 LEU 2 HB2 LEU 2 36.294 3.116 0.068 16 HB3 LEU 2 HB1 LEU 2 38.014 2.794 -0.252 17 HG LEU 2 HG LEU 2 37.461 2.288 -2.628 18 HD11 LEU 2 HD11 LEU 2 34.654 2.965 -1.665 19 HD12 LEU 2 HD12 LEU 2 35.201 1.519 -2.549 20 HD13 LEU 2 HD13 LEU 2 35.117 3.089 -3.379 21 HD21 LEU 2 HD21 LEU 2 37.027 4.608 -3.294 22 HD22 LEU 2 HD22 LEU 2 38.094 4.593 -1.868 23 HD23 LEU 2 HD23 LEU 2 36.365 4.975 -1.684 24 H ARG 3 HN ARG 3 37.006 2.418 1.803 25 HA ARG 3 HA ARG 3 37.901 0.173 3.523 26 HB2 ARG 3 HB2 ARG 3 39.970 1.128 2.360 27 HB3 ARG 3 HB1 ARG 3 39.642 2.652 3.218 28 HG2 ARG 3 HG2 ARG 3 39.790 1.501 5.385 29 HG3 ARG 3 HG1 ARG 3 40.033 -0.059 4.562 30 HD2 ARG 3 HD2 ARG 3 41.880 2.365 4.453 31 HD3 ARG 3 HD1 ARG 3 42.205 0.816 5.266 32 HE ARG 3 HE ARG 3 42.658 1.333 2.490 33 HH11 ARG 3 HH11 ARG 3 42.111 -0.327 0.923 34 HH12 ARG 3 HH12 ARG 3 42.047 -1.959 1.500 35 HH21 ARG 3 HH21 ARG 3 42.214 -1.062 4.845 36 HH22 ARG 3 HH22 ARG 3 42.106 -2.375 3.721 37 H ARG 4 HN ARG 4 36.522 3.201 2.849 38 HA ARG 4 HA ARG 4 35.315 3.361 5.486 39 HB2 ARG 4 HB2 ARG 4 37.716 4.383 5.705 40 HB3 ARG 4 HB1 ARG 4 37.067 5.738 4.756 41 HG2 ARG 4 HG2 ARG 4 35.248 6.025 6.441 42 HG3 ARG 4 HG1 ARG 4 35.941 4.693 7.397 43 HD2 ARG 4 HD2 ARG 4 38.101 5.987 7.519 44 HD3 ARG 4 HD1 ARG 4 37.279 7.345 6.716 45 HE ARG 4 HE ARG 4 36.165 7.804 8.755 46 HH11 ARG 4 HH11 ARG 4 37.301 4.556 8.673 47 HH12 ARG 4 HH12 ARG 4 37.114 4.305 10.377 48 HH21 ARG 4 HH21 ARG 4 36.044 7.542 11.006 49 HH22 ARG 4 HH22 ARG 4 36.402 5.995 11.698 50 H ILE 5 HN ILE 5 35.386 3.715 2.236 51 HA ILE 5 HA ILE 5 34.011 4.768 0.700 52 HB ILE 5 HB ILE 5 32.078 5.319 2.993 53 HG12 ILE 5 HG12 ILE 5 32.542 2.708 1.473 54 HG13 ILE 5 HG11 ILE 5 32.887 2.988 3.196 55 HG21 ILE 5 HG21 ILE 5 31.698 6.149 0.569 56 HG22 ILE 5 HG22 ILE 5 30.396 5.187 1.301 57 HG23 ILE 5 HG23 ILE 5 31.510 4.435 0.133 58 HD11 ILE 5 HD1 ILE 5 30.383 3.647 3.402 59 HD12 ILE 5 HD2 ILE 5 30.761 1.922 3.184 60 HD13 ILE 5 HD3 ILE 5 30.189 2.887 1.804 61 H GLY 6 HN GLY 6 35.985 6.387 1.314 62 HA2 GLY 6 HA1 GLY 6 35.230 8.939 0.646 63 HA3 GLY 6 HA2 GLY 6 35.048 8.940 2.412 64 H LYS 7 HN LYS 7 37.446 6.868 0.968 65 HA LYS 7 HA LYS 7 39.581 7.877 2.501 66 HB2 LYS 7 HB2 LYS 7 39.471 5.714 1.140 67 HB3 LYS 7 HB1 LYS 7 39.897 6.695 -0.283 68 HG2 LYS 7 HG2 LYS 7 41.901 7.552 1.085 69 HG3 LYS 7 HG1 LYS 7 41.532 6.255 2.247 70 HD2 LYS 7 HD2 LYS 7 42.090 5.847 -0.726 71 HD3 LYS 7 HD1 LYS 7 43.253 5.552 0.588 72 HE2 LYS 7 HE2 LYS 7 41.432 3.975 1.580 73 HE3 LYS 7 HE1 LYS 7 40.683 4.060 -0.034 74 HZ1 LYS 7 HZ1 LYS 7 42.171 2.625 -0.785 75 HZ2 LYS 7 HZ2 LYS 7 42.820 2.471 0.778 76 HZ3 LYS 7 HZ3 LYS 7 43.457 3.619 -0.299 77 H GLY 8 HN GLY 8 38.822 8.581 -0.944 78 HA2 GLY 8 HA1 GLY 8 39.535 10.320 -2.297 79 HA3 GLY 8 HA2 GLY 8 39.264 11.329 -0.863 80 H VAL 9 HN VAL 9 40.929 12.714 -0.888 81 HA VAL 9 HA VAL 9 43.642 11.562 -0.452 82 HB VAL 9 HB VAL 9 43.172 13.712 -2.563 83 HG11 VAL 9 HG11 VAL 9 45.555 13.201 -3.102 84 HG12 VAL 9 HG12 VAL 9 45.600 12.057 -1.739 85 HG13 VAL 9 HG13 VAL 9 45.359 13.794 -1.435 86 HG21 VAL 9 HG21 VAL 9 43.651 10.713 -2.832 87 HG22 VAL 9 HG22 VAL 9 43.870 11.870 -4.166 88 HG23 VAL 9 HG23 VAL 9 42.261 11.642 -3.440 89 H LYS 10 HN LYS 10 41.902 14.656 -1.064 90 HA LYS 10 HA LYS 10 42.487 15.594 1.637 91 HB2 LYS 10 HB2 LYS 10 44.702 15.917 0.494 92 HB3 LYS 10 HB1 LYS 10 43.896 17.000 -0.666 93 HG2 LYS 10 HG2 LYS 10 43.224 18.509 1.137 94 HG3 LYS 10 HG1 LYS 10 43.883 17.393 2.358 95 HD2 LYS 10 HD2 LYS 10 46.150 17.655 1.302 96 HD3 LYS 10 HD1 LYS 10 45.457 18.882 0.213 97 HE2 LYS 10 HE2 LYS 10 44.690 20.142 2.289 98 HE3 LYS 10 HE1 LYS 10 45.664 19.003 3.249 99 HZ1 LYS 10 HZ1 LYS 10 47.077 20.793 2.842 100 HZ2 LYS 10 HZ2 LYS 10 46.575 20.968 1.228 101 HZ3 LYS 10 HZ3 LYS 10 47.547 19.650 1.680 102 H ILE 11 HN ILE 11 42.298 17.404 -1.457 103 HA ILE 11 HA ILE 11 40.133 19.026 -0.403 104 HB ILE 11 HB ILE 11 39.953 19.899 -2.730 105 HG12 ILE 11 HG12 ILE 11 42.160 17.849 -3.239 106 HG13 ILE 11 HG11 ILE 11 40.530 17.844 -3.953 107 HG21 ILE 11 HG21 ILE 11 41.652 20.720 -0.983 108 HG22 ILE 11 HG22 ILE 11 42.051 21.082 -2.677 109 HG23 ILE 11 HG23 ILE 11 42.864 19.738 -1.839 110 HD11 ILE 11 HD1 ILE 11 41.883 18.809 -5.644 111 HD12 ILE 11 HD2 ILE 11 42.822 19.766 -4.476 112 HD13 ILE 11 HD3 ILE 11 41.140 20.218 -4.851 113 H ILE 12 HN ILE 12 40.055 15.904 -1.106 114 HA ILE 12 HA ILE 12 37.771 15.710 -2.897 115 HB ILE 12 HB ILE 12 38.877 13.860 -0.772 116 HG12 ILE 12 HG12 ILE 12 40.572 14.313 -2.453 117 HG13 ILE 12 HG11 ILE 12 39.966 12.664 -2.708 118 HG21 ILE 12 HG21 ILE 12 36.784 12.893 -1.154 119 HG22 ILE 12 HG22 ILE 12 37.691 12.110 -2.464 120 HG23 ILE 12 HG23 ILE 12 36.663 13.520 -2.812 121 HD11 ILE 12 HD1 ILE 12 39.496 15.151 -4.377 122 HD12 ILE 12 HD2 ILE 12 38.309 13.827 -4.416 123 HD13 ILE 12 HD3 ILE 12 39.991 13.526 -4.898 124 H GLY 13 HN GLY 13 37.710 14.266 0.333 125 HA2 GLY 13 HA1 GLY 13 34.992 15.018 0.819 126 HA3 GLY 13 HA2 GLY 13 36.164 14.457 2.034 127 H GLY 14 HN GLY 14 37.760 16.724 0.457 128 HA2 GLY 14 HA1 GLY 14 37.262 18.787 2.541 129 HA3 GLY 14 HA2 GLY 14 38.557 18.774 1.325 130 H ALA 15 HN ALA 15 36.949 18.276 -0.984 131 HA ALA 15 HA ALA 15 35.745 21.011 -1.267 132 HB1 ALA 15 HB1 ALA 15 36.228 18.813 -3.322 133 HB2 ALA 15 HB2 ALA 15 37.294 20.211 -3.029 134 HB3 ALA 15 HB3 ALA 15 35.651 20.459 -3.662 135 H ALA 16 HN ALA 16 34.684 18.786 0.366 136 HA ALA 16 HA ALA 16 32.541 18.122 0.933 137 HB1 ALA 16 HB1 ALA 16 30.641 19.012 -0.096 138 HB2 ALA 16 HB2 ALA 16 31.386 19.028 -1.712 139 HB3 ALA 16 HB3 ALA 16 31.867 20.236 -0.497 140 H LEU 17 HN LEU 17 34.570 16.534 -0.396 141 HA LEU 17 HA LEU 17 34.737 14.490 -1.498 142 HB2 LEU 17 HB2 LEU 17 32.758 14.260 0.373 143 HB3 LEU 17 HB1 LEU 17 31.833 13.824 -1.077 144 HG LEU 17 HG LEU 17 34.464 12.532 -0.206 145 HD11 LEU 17 HD11 LEU 17 33.001 10.557 0.263 146 HD12 LEU 17 HD12 LEU 17 31.575 11.566 -0.075 147 HD13 LEU 17 HD13 LEU 17 32.627 11.947 1.309 148 HD21 LEU 17 HD21 LEU 17 34.161 12.487 -2.644 149 HD22 LEU 17 HD22 LEU 17 32.494 11.891 -2.449 150 HD23 LEU 17 HD23 LEU 17 33.868 10.864 -1.978 151 H ASP 18 HN ASP 18 34.022 16.822 -3.065 152 HA ASP 18 HA ASP 18 33.337 17.346 -5.212 153 HB2 ASP 18 HB2 ASP 18 34.825 15.437 -5.760 154 HB3 ASP 18 HB1 ASP 18 33.438 14.331 -5.622 155 H HIS 19 HN HIS 19 31.707 14.169 -5.097 156 HA HIS 19 HA HIS 19 29.294 15.030 -6.227 157 HB2 HIS 19 HB2 HIS 19 29.602 12.888 -4.087 158 HB3 HIS 19 HB1 HIS 19 28.293 13.016 -5.286 159 HD1 HIS 19 HD1 HIS 19 29.780 13.591 -7.865 160 HD2 HIS 19 HD2 HIS 19 31.205 10.841 -5.020 161 HE1 HIS 19 HE1 HIS 19 31.321 11.961 -9.088 162 H LEU 20 HN LEU 20 29.777 14.408 -2.713 163 HA LEU 20 HA LEU 20 27.347 15.817 -2.006 164 HB2 LEU 20 HB2 LEU 20 29.744 14.773 -0.461 165 HB3 LEU 20 HB1 LEU 20 28.484 15.731 0.352 166 HG LEU 20 HG LEU 20 26.761 14.125 -0.380 167 HD11 LEU 20 HD11 LEU 20 27.579 13.314 -2.474 168 HD12 LEU 20 HD12 LEU 20 27.643 11.912 -1.383 169 HD13 LEU 20 HD13 LEU 20 29.132 12.811 -1.765 170 HD21 LEU 20 HD21 LEU 20 27.929 13.729 1.761 171 HD22 LEU 20 HD22 LEU 20 29.192 12.805 0.913 172 HD23 LEU 20 HD23 LEU 20 27.526 12.182 0.979 Start of MODEL 3 1 H1 TRP 1 HT1 TRP 1 32.848 17.939 15.211 2 H2 TRP 1 HT2 TRP 1 34.218 17.206 14.521 3 H3 TRP 1 HT3 TRP 1 32.706 17.082 13.756 4 HA TRP 1 HA TRP 1 33.584 18.697 12.506 5 HB2 TRP 1 HB2 TRP 1 32.573 20.238 14.930 6 HB3 TRP 1 HB1 TRP 1 32.718 20.861 13.269 7 HD1 TRP 1 HD1 TRP 1 30.989 17.881 15.066 8 HE1 TRP 1 HE1 TRP 1 28.679 17.453 13.948 9 HE3 TRP 1 HE3 TRP 1 31.199 21.437 11.388 10 HZ2 TRP 1 HZ2 TRP 1 27.159 18.529 11.752 11 HZ3 TRP 1 HZ3 TRP 1 29.309 21.718 9.793 12 HH2 TRP 1 HH2 TRP 1 27.290 20.269 9.972 13 H LEU 2 HN LEU 2 35.853 18.169 12.639 14 HA LEU 2 HA LEU 2 37.520 19.437 14.658 15 HB2 LEU 2 HB2 LEU 2 38.283 18.279 11.951 16 HB3 LEU 2 HB1 LEU 2 39.392 18.625 13.295 17 HG LEU 2 HG LEU 2 37.025 16.712 13.526 18 HD11 LEU 2 HD11 LEU 2 39.952 16.095 12.930 19 HD12 LEU 2 HD12 LEU 2 38.594 15.904 11.795 20 HD13 LEU 2 HD13 LEU 2 38.685 14.888 13.255 21 HD21 LEU 2 HD21 LEU 2 38.568 15.834 15.432 22 HD22 LEU 2 HD22 LEU 2 37.726 17.371 15.713 23 HD23 LEU 2 HD23 LEU 2 39.447 17.371 15.257 24 H ARG 3 HN ARG 3 37.895 19.828 11.139 25 HA ARG 3 HA ARG 3 37.720 22.798 11.423 26 HB2 ARG 3 HB2 ARG 3 40.134 22.075 11.770 27 HB3 ARG 3 HB1 ARG 3 40.101 21.420 10.115 28 HG2 ARG 3 HG2 ARG 3 39.566 23.632 9.208 29 HG3 ARG 3 HG1 ARG 3 39.462 24.311 10.851 30 HD2 ARG 3 HD2 ARG 3 41.651 24.857 9.931 31 HD3 ARG 3 HD1 ARG 3 41.866 23.639 11.212 32 HE ARG 3 HE ARG 3 41.581 22.234 8.767 33 HH11 ARG 3 HH11 ARG 3 43.640 21.046 8.684 34 HH12 ARG 3 HH12 ARG 3 45.070 22.014 8.545 35 HH21 ARG 3 HH21 ARG 3 43.445 24.990 9.273 36 HH22 ARG 3 HH22 ARG 3 44.959 24.247 8.881 37 H ARG 4 HN ARG 4 37.438 19.830 9.744 38 HA ARG 4 HA ARG 4 36.046 21.201 7.504 39 HB2 ARG 4 HB2 ARG 4 38.381 19.280 7.113 40 HB3 ARG 4 HB1 ARG 4 37.266 19.800 5.826 41 HG2 ARG 4 HG2 ARG 4 37.892 22.205 6.409 42 HG3 ARG 4 HG1 ARG 4 39.175 21.536 7.445 43 HD2 ARG 4 HD2 ARG 4 40.057 20.282 5.452 44 HD3 ARG 4 HD1 ARG 4 38.847 21.110 4.444 45 HE ARG 4 HE ARG 4 40.237 23.142 5.806 46 HH11 ARG 4 HH11 ARG 4 42.467 23.660 5.357 47 HH12 ARG 4 HH12 ARG 4 43.131 23.092 3.861 48 HH21 ARG 4 HH21 ARG 4 40.417 21.065 3.122 49 HH22 ARG 4 HH22 ARG 4 41.970 21.623 2.595 50 H ILE 5 HN ILE 5 35.830 19.227 9.956 51 HA ILE 5 HA ILE 5 34.471 17.427 10.470 52 HB ILE 5 HB ILE 5 33.250 17.678 7.688 53 HG12 ILE 5 HG12 ILE 5 32.644 19.281 10.217 54 HG13 ILE 5 HG11 ILE 5 33.353 19.925 8.720 55 HG21 ILE 5 HG21 ILE 5 31.947 16.960 10.345 56 HG22 ILE 5 HG22 ILE 5 32.683 15.736 9.284 57 HG23 ILE 5 HG23 ILE 5 31.311 16.705 8.703 58 HD11 ILE 5 HD1 ILE 5 31.221 18.993 7.543 59 HD12 ILE 5 HD2 ILE 5 31.049 20.461 8.535 60 HD13 ILE 5 HD3 ILE 5 30.538 18.886 9.184 61 H GLY 6 HN GLY 6 36.732 16.421 10.141 62 HA2 GLY 6 HA1 GLY 6 37.765 14.404 9.633 63 HA3 GLY 6 HA2 GLY 6 36.304 13.903 8.759 64 H LYS 7 HN LYS 7 39.453 15.410 8.560 65 HA LYS 7 HA LYS 7 39.354 16.395 5.898 66 HB2 LYS 7 HB2 LYS 7 41.804 16.146 5.917 67 HB3 LYS 7 HB1 LYS 7 41.226 16.808 7.466 68 HG2 LYS 7 HG2 LYS 7 41.216 14.420 8.360 69 HG3 LYS 7 HG1 LYS 7 42.062 13.940 6.869 70 HD2 LYS 7 HD2 LYS 7 43.897 15.496 7.373 71 HD3 LYS 7 HD1 LYS 7 43.041 16.064 8.828 72 HE2 LYS 7 HE2 LYS 7 44.844 14.316 9.255 73 HE3 LYS 7 HE1 LYS 7 43.231 13.903 9.884 74 HZ1 LYS 7 HZ1 LYS 7 44.705 12.299 8.314 75 HZ2 LYS 7 HZ2 LYS 7 43.734 13.071 7.153 76 HZ3 LYS 7 HZ3 LYS 7 43.014 12.221 8.437 77 H GLY 8 HN GLY 8 41.321 15.119 4.439 78 HA2 GLY 8 HA1 GLY 8 41.149 12.329 4.190 79 HA3 GLY 8 HA2 GLY 8 39.794 12.981 3.248 80 H VAL 9 HN VAL 9 40.285 12.906 1.172 81 HA VAL 9 HA VAL 9 42.976 12.918 0.172 82 HB VAL 9 HB VAL 9 40.458 13.664 -1.379 83 HG11 VAL 9 HG11 VAL 9 43.185 12.523 -2.130 84 HG12 VAL 9 HG12 VAL 9 42.430 14.028 -2.708 85 HG13 VAL 9 HG13 VAL 9 41.779 12.454 -3.218 86 HG21 VAL 9 HG21 VAL 9 40.245 11.235 -1.837 87 HG22 VAL 9 HG22 VAL 9 40.097 11.575 -0.096 88 HG23 VAL 9 HG23 VAL 9 41.614 10.911 -0.748 89 H LYS 10 HN LYS 10 41.040 15.411 1.395 90 HA LYS 10 HA LYS 10 41.446 17.683 1.571 91 HB2 LYS 10 HB2 LYS 10 43.927 16.881 1.431 92 HB3 LYS 10 HB1 LYS 10 43.865 17.454 -0.252 93 HG2 LYS 10 HG2 LYS 10 42.937 19.673 0.735 94 HG3 LYS 10 HG1 LYS 10 43.505 19.059 2.305 95 HD2 LYS 10 HD2 LYS 10 45.787 18.814 1.399 96 HD3 LYS 10 HD1 LYS 10 45.227 19.388 -0.191 97 HE2 LYS 10 HE2 LYS 10 44.630 21.563 0.751 98 HE3 LYS 10 HE1 LYS 10 45.028 21.000 2.392 99 HZ1 LYS 10 HZ1 LYS 10 47.315 20.695 1.703 100 HZ2 LYS 10 HZ2 LYS 10 46.830 22.294 1.397 101 HZ3 LYS 10 HZ3 LYS 10 46.947 21.179 0.121 102 H ILE 11 HN ILE 11 41.266 16.030 -1.445 103 HA ILE 11 HA ILE 11 40.345 18.551 -2.830 104 HB ILE 11 HB ILE 11 41.306 15.992 -4.159 105 HG12 ILE 11 HG12 ILE 11 42.893 18.494 -3.412 106 HG13 ILE 11 HG11 ILE 11 43.146 16.852 -2.778 107 HG21 ILE 11 HG21 ILE 11 39.882 17.755 -5.396 108 HG22 ILE 11 HG22 ILE 11 41.442 17.341 -6.140 109 HG23 ILE 11 HG23 ILE 11 41.270 18.853 -5.215 110 HD11 ILE 11 HD1 ILE 11 44.789 17.069 -4.477 111 HD12 ILE 11 HD2 ILE 11 43.667 17.898 -5.580 112 HD13 ILE 11 HD3 ILE 11 43.482 16.155 -5.266 113 H ILE 12 HN ILE 12 39.835 15.012 -2.533 114 HA ILE 12 HA ILE 12 37.151 15.302 -3.803 115 HB ILE 12 HB ILE 12 38.641 12.837 -2.824 116 HG12 ILE 12 HG12 ILE 12 38.341 13.890 -5.679 117 HG13 ILE 12 HG11 ILE 12 39.784 14.147 -4.677 118 HG21 ILE 12 HG21 ILE 12 37.002 11.726 -4.506 119 HG22 ILE 12 HG22 ILE 12 36.109 13.262 -4.471 120 HG23 ILE 12 HG23 ILE 12 36.303 12.307 -2.985 121 HD11 ILE 12 HD1 ILE 12 38.795 11.615 -5.990 122 HD12 ILE 12 HD2 ILE 12 39.631 11.452 -4.427 123 HD13 ILE 12 HD3 ILE 12 40.454 12.219 -5.803 124 H GLY 13 HN GLY 13 37.709 12.784 -1.418 125 HA2 GLY 13 HA1 GLY 13 35.376 13.400 0.088 126 HA3 GLY 13 HA2 GLY 13 36.754 12.436 0.667 127 H GLY 14 HN GLY 14 38.217 14.993 -0.355 128 HA2 GLY 14 HA1 GLY 14 38.428 16.260 2.305 129 HA3 GLY 14 HA2 GLY 14 39.410 16.597 0.865 130 H ALA 15 HN ALA 15 37.530 17.157 -1.094 131 HA ALA 15 HA ALA 15 36.558 19.799 -0.083 132 HB1 ALA 15 HB1 ALA 15 36.186 18.593 -2.845 133 HB2 ALA 15 HB2 ALA 15 37.650 19.482 -2.352 134 HB3 ALA 15 HB3 ALA 15 36.074 20.303 -2.371 135 H ALA 16 HN ALA 16 35.522 17.191 0.863 136 HA ALA 16 HA ALA 16 33.448 16.523 1.644 137 HB1 ALA 16 HB1 ALA 16 32.819 19.043 1.153 138 HB2 ALA 16 HB2 ALA 16 31.534 17.839 1.409 139 HB3 ALA 16 HB3 ALA 16 31.955 18.357 -0.241 140 H LEU 17 HN LEU 17 34.921 15.246 -0.427 141 HA LEU 17 HA LEU 17 34.581 13.647 -2.092 142 HB2 LEU 17 HB2 LEU 17 32.931 12.950 -0.168 143 HB3 LEU 17 HB1 LEU 17 31.663 13.519 -1.274 144 HG LEU 17 HG LEU 17 32.970 11.972 -3.048 145 HD11 LEU 17 HD11 LEU 17 34.795 11.428 -1.379 146 HD12 LEU 17 HD12 LEU 17 33.973 9.996 -2.037 147 HD13 LEU 17 HD13 LEU 17 33.578 10.577 -0.402 148 HD21 LEU 17 HD21 LEU 17 31.483 10.079 -2.407 149 HD22 LEU 17 HD22 LEU 17 30.626 11.638 -2.338 150 HD23 LEU 17 HD23 LEU 17 31.179 10.859 -0.838 151 H ASP 18 HN ASP 18 33.914 16.573 -2.563 152 HA ASP 18 HA ASP 18 33.059 17.867 -4.286 153 HB2 ASP 18 HB2 ASP 18 33.351 15.204 -5.726 154 HB3 ASP 18 HB1 ASP 18 32.984 16.742 -6.542 155 H HIS 19 HN HIS 19 31.521 14.909 -5.501 156 HA HIS 19 HA HIS 19 29.012 16.056 -5.980 157 HB2 HIS 19 HB2 HIS 19 29.745 13.201 -5.226 158 HB3 HIS 19 HB1 HIS 19 28.128 13.685 -5.790 159 HD1 HIS 19 HD1 HIS 19 27.837 13.250 -8.219 160 HD2 HIS 19 HD2 HIS 19 31.799 14.307 -7.284 161 HE1 HIS 19 HE1 HIS 19 29.151 13.295 -10.410 162 H LEU 20 HN LEU 20 30.250 14.568 -2.987 163 HA LEU 20 HA LEU 20 29.404 14.592 -0.834 164 HB2 LEU 20 HB2 LEU 20 29.436 17.135 -1.549 165 HB3 LEU 20 HB1 LEU 20 27.668 16.976 -1.552 166 HG LEU 20 HG LEU 20 29.532 16.367 0.791 167 HD11 LEU 20 HD11 LEU 20 28.506 18.334 1.821 168 HD12 LEU 20 HD12 LEU 20 27.424 18.542 0.422 169 HD13 LEU 20 HD13 LEU 20 29.177 18.792 0.238 170 HD21 LEU 20 HD21 LEU 20 27.220 16.260 2.004 171 HD22 LEU 20 HD22 LEU 20 27.709 14.857 1.031 172 HD23 LEU 20 HD23 LEU 20 26.535 16.024 0.379 Start of MODEL 4 1 H1 TRP 1 HT1 TRP 1 30.481 6.222 14.195 2 H2 TRP 1 HT2 TRP 1 30.371 7.258 12.852 3 H3 TRP 1 HT3 TRP 1 30.784 7.880 14.379 4 HA TRP 1 HA TRP 1 32.757 7.793 13.191 5 HB2 TRP 1 HB2 TRP 1 34.012 5.977 14.414 6 HB3 TRP 1 HB1 TRP 1 33.026 7.022 15.465 7 HD1 TRP 1 HD1 TRP 1 30.675 6.008 16.331 8 HE1 TRP 1 HE1 TRP 1 29.916 3.560 16.776 9 HE3 TRP 1 HE3 TRP 1 34.275 3.546 13.650 10 HZ2 TRP 1 HZ2 TRP 1 30.779 0.911 16.049 11 HZ3 TRP 1 HZ3 TRP 1 34.289 1.059 13.540 12 HH2 TRP 1 HH2 TRP 1 32.546 -0.260 14.735 13 H LEU 2 HN LEU 2 32.914 7.438 11.048 14 HA LEU 2 HA LEU 2 32.041 5.063 9.728 15 HB2 LEU 2 HB2 LEU 2 32.354 7.093 8.468 16 HB3 LEU 2 HB1 LEU 2 34.055 7.210 8.967 17 HG LEU 2 HG LEU 2 34.662 5.277 7.638 18 HD11 LEU 2 HD11 LEU 2 32.797 4.171 6.213 19 HD12 LEU 2 HD12 LEU 2 31.652 4.934 7.342 20 HD13 LEU 2 HD13 LEU 2 32.846 3.758 7.942 21 HD21 LEU 2 HD21 LEU 2 34.164 6.092 5.412 22 HD22 LEU 2 HD22 LEU 2 34.298 7.507 6.483 23 HD23 LEU 2 HD23 LEU 2 32.694 6.917 5.986 24 H ARG 3 HN ARG 3 35.441 6.095 9.748 25 HA ARG 3 HA ARG 3 36.320 3.495 10.880 26 HB2 ARG 3 HB2 ARG 3 36.051 3.076 8.424 27 HB3 ARG 3 HB1 ARG 3 37.184 4.410 8.103 28 HG2 ARG 3 HG2 ARG 3 38.977 3.264 9.259 29 HG3 ARG 3 HG1 ARG 3 37.862 2.006 9.846 30 HD2 ARG 3 HD2 ARG 3 37.482 1.199 7.586 31 HD3 ARG 3 HD1 ARG 3 38.406 2.555 6.898 32 HE ARG 3 HE ARG 3 40.022 1.024 8.754 33 HH11 ARG 3 HH11 ARG 3 38.642 1.086 5.595 34 HH12 ARG 3 HH12 ARG 3 39.876 0.098 4.891 35 HH21 ARG 3 HH21 ARG 3 41.648 -0.260 7.850 36 HH22 ARG 3 HH22 ARG 3 41.580 -0.664 6.168 37 H ARG 4 HN ARG 4 36.643 6.793 10.046 38 HA ARG 4 HA ARG 4 39.065 7.025 11.760 39 HB2 ARG 4 HB2 ARG 4 38.922 8.213 8.956 40 HB3 ARG 4 HB1 ARG 4 40.249 8.407 10.127 41 HG2 ARG 4 HG2 ARG 4 40.493 5.873 10.115 42 HG3 ARG 4 HG1 ARG 4 39.354 5.843 8.746 43 HD2 ARG 4 HD2 ARG 4 41.620 5.850 7.855 44 HD3 ARG 4 HD1 ARG 4 40.877 7.432 7.521 45 HE ARG 4 HE ARG 4 42.487 8.409 8.947 46 HH11 ARG 4 HH11 ARG 4 44.322 6.132 8.358 47 HH12 ARG 4 HH12 ARG 4 44.734 5.568 9.944 48 HH21 ARG 4 HH21 ARG 4 42.103 7.208 11.498 49 HH22 ARG 4 HH22 ARG 4 43.477 6.178 11.721 50 H ILE 5 HN ILE 5 35.989 7.842 11.031 51 HA ILE 5 HA ILE 5 34.631 9.607 11.641 52 HB ILE 5 HB ILE 5 36.967 10.730 13.242 53 HG12 ILE 5 HG12 ILE 5 35.002 8.507 13.961 54 HG13 ILE 5 HG11 ILE 5 36.760 8.333 13.756 55 HG21 ILE 5 HG21 ILE 5 34.762 12.024 12.916 56 HG22 ILE 5 HG22 ILE 5 35.263 11.728 14.596 57 HG23 ILE 5 HG23 ILE 5 33.985 10.731 13.860 58 HD11 ILE 5 HD1 ILE 5 35.246 9.791 15.946 59 HD12 ILE 5 HD2 ILE 5 36.958 10.149 15.612 60 HD13 ILE 5 HD3 ILE 5 36.468 8.510 16.105 61 H GLY 6 HN GLY 6 37.751 11.380 11.756 62 HA2 GLY 6 HA1 GLY 6 36.639 13.432 9.977 63 HA3 GLY 6 HA2 GLY 6 38.243 13.422 10.736 64 H LYS 7 HN LYS 7 36.685 10.980 8.640 65 HA LYS 7 HA LYS 7 39.067 10.570 7.099 66 HB2 LYS 7 HB2 LYS 7 37.142 8.957 7.327 67 HB3 LYS 7 HB1 LYS 7 36.203 10.008 6.239 68 HG2 LYS 7 HG2 LYS 7 37.893 9.738 4.472 69 HG3 LYS 7 HG1 LYS 7 38.896 8.745 5.558 70 HD2 LYS 7 HD2 LYS 7 37.195 7.016 5.659 71 HD3 LYS 7 HD1 LYS 7 36.039 8.037 4.769 72 HE2 LYS 7 HE2 LYS 7 37.486 7.996 2.783 73 HE3 LYS 7 HE1 LYS 7 38.704 7.044 3.666 74 HZ1 LYS 7 HZ1 LYS 7 36.905 5.354 4.014 75 HZ2 LYS 7 HZ2 LYS 7 37.415 5.535 2.404 76 HZ3 LYS 7 HZ3 LYS 7 35.947 6.221 2.916 77 H GLY 8 HN GLY 8 39.636 11.184 5.008 78 HA2 GLY 8 HA1 GLY 8 38.157 12.725 3.213 79 HA3 GLY 8 HA2 GLY 8 38.899 13.897 4.320 80 H VAL 9 HN VAL 9 39.901 14.607 2.244 81 HA VAL 9 HA VAL 9 42.540 13.222 1.950 82 HB VAL 9 HB VAL 9 40.739 14.001 -0.394 83 HG11 VAL 9 HG11 VAL 9 43.621 13.030 -0.214 84 HG12 VAL 9 HG12 VAL 9 43.019 14.518 -0.982 85 HG13 VAL 9 HG13 VAL 9 42.662 12.934 -1.709 86 HG21 VAL 9 HG21 VAL 9 40.096 11.868 0.651 87 HG22 VAL 9 HG22 VAL 9 41.788 11.316 0.608 88 HG23 VAL 9 HG23 VAL 9 40.893 11.560 -0.911 89 H LYS 10 HN LYS 10 41.171 15.728 -0.164 90 HA LYS 10 HA LYS 10 42.239 17.961 1.320 91 HB2 LYS 10 HB2 LYS 10 44.375 16.818 0.574 92 HB3 LYS 10 HB1 LYS 10 43.882 17.146 -1.104 93 HG2 LYS 10 HG2 LYS 10 43.782 19.566 -0.611 94 HG3 LYS 10 HG1 LYS 10 44.262 19.248 1.073 95 HD2 LYS 10 HD2 LYS 10 46.371 18.181 0.216 96 HD3 LYS 10 HD1 LYS 10 45.903 18.670 -1.431 97 HE2 LYS 10 HE2 LYS 10 45.780 21.058 -0.604 98 HE3 LYS 10 HE1 LYS 10 46.460 20.499 0.943 99 HZ1 LYS 10 HZ1 LYS 10 47.970 19.511 -1.257 100 HZ2 LYS 10 HZ2 LYS 10 48.480 20.456 0.059 101 HZ3 LYS 10 HZ3 LYS 10 47.855 21.201 -1.335 102 H ILE 11 HN ILE 11 41.072 16.473 -1.627 103 HA ILE 11 HA ILE 11 39.799 19.090 -2.387 104 HB ILE 11 HB ILE 11 40.977 17.172 -4.439 105 HG12 ILE 11 HG12 ILE 11 42.208 19.698 -3.243 106 HG13 ILE 11 HG11 ILE 11 42.826 18.039 -3.063 107 HG21 ILE 11 HG21 ILE 11 40.290 20.130 -4.689 108 HG22 ILE 11 HG22 ILE 11 39.097 18.845 -4.999 109 HG23 ILE 11 HG23 ILE 11 40.567 18.950 -5.992 110 HD11 ILE 11 HD1 ILE 11 42.905 17.996 -5.667 111 HD12 ILE 11 HD2 ILE 11 44.139 18.955 -4.815 112 HD13 ILE 11 HD3 ILE 11 42.742 19.766 -5.558 113 H ILE 12 HN ILE 12 39.988 15.558 -2.922 114 HA ILE 12 HA ILE 12 37.210 15.472 -3.904 115 HB ILE 12 HB ILE 12 39.160 13.269 -3.138 116 HG12 ILE 12 HG12 ILE 12 38.433 14.225 -5.949 117 HG13 ILE 12 HG11 ILE 12 39.817 14.885 -5.053 118 HG21 ILE 12 HG21 ILE 12 36.996 12.271 -3.147 119 HG22 ILE 12 HG22 ILE 12 37.596 11.947 -4.783 120 HG23 ILE 12 HG23 ILE 12 36.440 13.269 -4.509 121 HD11 ILE 12 HD1 ILE 12 40.484 12.317 -4.772 122 HD12 ILE 12 HD2 ILE 12 40.846 13.176 -6.284 123 HD13 ILE 12 HD3 ILE 12 39.434 12.104 -6.192 124 H GLY 13 HN GLY 13 38.392 13.023 -1.649 125 HA2 GLY 13 HA1 GLY 13 36.054 13.110 -0.017 126 HA3 GLY 13 HA2 GLY 13 37.623 12.414 0.452 127 H GLY 14 HN GLY 14 38.497 15.225 -0.558 128 HA2 GLY 14 HA1 GLY 14 38.695 16.442 2.115 129 HA3 GLY 14 HA2 GLY 14 39.411 17.043 0.601 130 H ALA 15 HN ALA 15 37.244 17.240 -1.111 131 HA ALA 15 HA ALA 15 35.793 19.525 0.182 132 HB1 ALA 15 HB1 ALA 15 34.971 20.015 -2.032 133 HB2 ALA 15 HB2 ALA 15 35.533 18.446 -2.650 134 HB3 ALA 15 HB3 ALA 15 36.713 19.690 -2.162 135 H ALA 16 HN ALA 16 35.477 16.767 1.059 136 HA ALA 16 HA ALA 16 33.723 15.488 1.839 137 HB1 ALA 16 HB1 ALA 16 32.502 17.813 1.769 138 HB2 ALA 16 HB2 ALA 16 31.535 16.325 1.899 139 HB3 ALA 16 HB3 ALA 16 31.691 17.150 0.331 140 H LEU 17 HN LEU 17 35.219 14.803 -0.447 141 HA LEU 17 HA LEU 17 35.092 13.237 -2.160 142 HB2 LEU 17 HB2 LEU 17 33.301 12.312 -0.372 143 HB3 LEU 17 HB1 LEU 17 32.160 12.678 -1.679 144 HG LEU 17 HG LEU 17 34.659 10.941 -1.987 145 HD11 LEU 17 HD11 LEU 17 33.081 9.049 -2.046 146 HD12 LEU 17 HD12 LEU 17 31.720 10.161 -1.765 147 HD13 LEU 17 HD13 LEU 17 32.949 9.920 -0.500 148 HD21 LEU 17 HD21 LEU 17 33.473 10.270 -4.120 149 HD22 LEU 17 HD22 LEU 17 34.011 11.965 -4.102 150 HD23 LEU 17 HD23 LEU 17 32.298 11.569 -3.816 151 H ASP 18 HN ASP 18 35.002 15.740 -2.988 152 HA ASP 18 HA ASP 18 34.335 17.117 -4.726 153 HB2 ASP 18 HB2 ASP 18 34.902 15.142 -6.075 154 HB3 ASP 18 HB1 ASP 18 33.258 14.500 -5.852 155 H HIS 19 HN HIS 19 31.621 14.837 -5.114 156 HA HIS 19 HA HIS 19 29.746 16.758 -3.834 157 HB2 HIS 19 HB2 HIS 19 28.317 16.875 -5.852 158 HB3 HIS 19 HB1 HIS 19 29.915 17.604 -6.141 159 HD1 HIS 19 HD1 HIS 19 31.428 14.777 -6.417 160 HD2 HIS 19 HD2 HIS 19 28.045 16.045 -8.569 161 HE1 HIS 19 HE1 HIS 19 31.325 13.391 -8.562 162 H LEU 20 HN LEU 20 30.604 14.139 -3.113 163 HA LEU 20 HA LEU 20 29.739 12.050 -2.593 164 HB2 LEU 20 HB2 LEU 20 28.103 13.667 -1.477 165 HB3 LEU 20 HB1 LEU 20 27.034 13.407 -2.871 166 HG LEU 20 HG LEU 20 27.379 10.829 -2.321 167 HD11 LEU 20 HD11 LEU 20 27.601 10.470 0.164 168 HD12 LEU 20 HD12 LEU 20 28.071 12.175 0.334 169 HD13 LEU 20 HD13 LEU 20 29.097 11.055 -0.593 170 HD21 LEU 20 HD21 LEU 20 25.228 12.041 -2.140 171 HD22 LEU 20 HD22 LEU 20 25.702 12.652 -0.536 172 HD23 LEU 20 HD23 LEU 20 25.436 10.910 -0.782 Start of MODEL 5 1 H1 TRP 1 HT1 TRP 1 48.519 0.791 1.587 2 H2 TRP 1 HT2 TRP 1 48.237 1.347 0.006 3 H3 TRP 1 HT3 TRP 1 48.497 -0.306 0.294 4 HA TRP 1 HA TRP 1 46.215 -0.026 -0.057 5 HB2 TRP 1 HB2 TRP 1 46.562 -0.138 2.958 6 HB3 TRP 1 HB1 TRP 1 45.363 -0.981 1.947 7 HD1 TRP 1 HD1 TRP 1 49.189 -0.895 2.523 8 HE1 TRP 1 HE1 TRP 1 50.171 -3.255 2.045 9 HE3 TRP 1 HE3 TRP 1 44.928 -3.228 0.915 10 HZ2 TRP 1 HZ2 TRP 1 49.205 -5.795 1.090 11 HZ3 TRP 1 HZ3 TRP 1 44.980 -5.621 0.226 12 HH2 TRP 1 HH2 TRP 1 47.114 -6.905 0.313 13 H LEU 2 HN LEU 2 46.296 2.352 -0.713 14 HA LEU 2 HA LEU 2 45.305 4.444 -0.567 15 HB2 LEU 2 HB2 LEU 2 43.775 3.408 1.838 16 HB3 LEU 2 HB1 LEU 2 43.301 4.694 0.708 17 HG LEU 2 HG LEU 2 43.612 1.736 0.018 18 HD11 LEU 2 HD11 LEU 2 41.617 2.251 1.395 19 HD12 LEU 2 HD12 LEU 2 41.154 1.819 -0.270 20 HD13 LEU 2 HD13 LEU 2 41.150 3.523 0.243 21 HD21 LEU 2 HD21 LEU 2 44.162 2.947 -1.964 22 HD22 LEU 2 HD22 LEU 2 42.952 4.210 -1.632 23 HD23 LEU 2 HD23 LEU 2 42.431 2.585 -2.141 24 H ARG 3 HN ARG 3 47.187 3.140 1.858 25 HA ARG 3 HA ARG 3 48.728 4.228 3.223 26 HB2 ARG 3 HB2 ARG 3 48.179 6.331 1.697 27 HB3 ARG 3 HB1 ARG 3 47.237 6.869 3.107 28 HG2 ARG 3 HG2 ARG 3 49.335 6.421 4.514 29 HG3 ARG 3 HG1 ARG 3 50.215 6.244 2.978 30 HD2 ARG 3 HD2 ARG 3 49.418 8.525 2.304 31 HD3 ARG 3 HD1 ARG 3 48.664 8.700 3.906 32 HE ARG 3 HE ARG 3 51.403 8.006 4.289 33 HH11 ARG 3 HH11 ARG 3 49.263 10.552 4.428 34 HH12 ARG 3 HH12 ARG 3 50.442 11.803 4.219 35 HH21 ARG 3 HH21 ARG 3 53.012 9.615 3.426 36 HH22 ARG 3 HH22 ARG 3 52.564 11.273 3.651 37 H ARG 4 HN ARG 4 45.361 5.405 3.620 38 HA ARG 4 HA ARG 4 45.116 4.045 6.168 39 HB2 ARG 4 HB2 ARG 4 46.550 6.126 6.701 40 HB3 ARG 4 HB1 ARG 4 45.087 7.079 6.364 41 HG2 ARG 4 HG2 ARG 4 43.858 5.647 8.056 42 HG3 ARG 4 HG1 ARG 4 45.418 4.900 8.472 43 HD2 ARG 4 HD2 ARG 4 46.317 7.201 8.974 44 HD3 ARG 4 HD1 ARG 4 44.678 7.847 8.714 45 HE ARG 4 HE ARG 4 44.087 6.996 10.837 46 HH11 ARG 4 HH11 ARG 4 47.027 5.627 9.668 47 HH12 ARG 4 HH12 ARG 4 47.315 4.692 11.098 48 HH21 ARG 4 HH21 ARG 4 44.410 5.729 12.683 49 HH22 ARG 4 HH22 ARG 4 45.834 4.749 12.803 50 H ILE 5 HN ILE 5 43.610 3.732 3.996 51 HA ILE 5 HA ILE 5 41.464 3.934 3.125 52 HB ILE 5 HB ILE 5 40.633 4.653 5.967 53 HG12 ILE 5 HG12 ILE 5 41.366 1.935 4.781 54 HG13 ILE 5 HG11 ILE 5 42.219 2.782 6.093 55 HG21 ILE 5 HG21 ILE 5 38.968 4.614 3.998 56 HG22 ILE 5 HG22 ILE 5 38.570 3.580 5.389 57 HG23 ILE 5 HG23 ILE 5 39.265 2.862 3.916 58 HD11 ILE 5 HD1 ILE 5 40.834 1.219 7.222 59 HD12 ILE 5 HD2 ILE 5 39.458 1.521 6.137 60 HD13 ILE 5 HD3 ILE 5 39.932 2.748 7.338 61 H GLY 6 HN GLY 6 42.392 5.983 2.101 62 HA2 GLY 6 HA1 GLY 6 40.379 8.031 2.283 63 HA3 GLY 6 HA2 GLY 6 41.863 8.563 3.094 64 H LYS 7 HN LYS 7 43.906 7.745 1.640 65 HA LYS 7 HA LYS 7 45.126 8.333 -0.243 66 HB2 LYS 7 HB2 LYS 7 43.671 6.476 -1.163 67 HB3 LYS 7 HB1 LYS 7 42.567 7.733 -1.774 68 HG2 LYS 7 HG2 LYS 7 44.451 8.744 -3.054 69 HG3 LYS 7 HG1 LYS 7 45.522 7.444 -2.479 70 HD2 LYS 7 HD2 LYS 7 44.142 5.756 -3.584 71 HD3 LYS 7 HD1 LYS 7 42.954 6.993 -4.061 72 HE2 LYS 7 HE2 LYS 7 44.831 8.165 -5.321 73 HE3 LYS 7 HE1 LYS 7 45.836 6.729 -5.008 74 HZ1 LYS 7 HZ1 LYS 7 43.169 6.280 -6.119 75 HZ2 LYS 7 HZ2 LYS 7 44.629 5.464 -6.424 76 HZ3 LYS 7 HZ3 LYS 7 44.323 6.967 -7.156 77 H GLY 8 HN GLY 8 45.047 10.558 0.647 78 HA2 GLY 8 HA1 GLY 8 44.843 12.829 0.277 79 HA3 GLY 8 HA2 GLY 8 44.494 12.435 -1.417 80 H VAL 9 HN VAL 9 43.388 14.358 0.755 81 HA VAL 9 HA VAL 9 40.585 14.098 -0.139 82 HB VAL 9 HB VAL 9 39.688 14.252 2.199 83 HG11 VAL 9 HG11 VAL 9 39.786 11.896 2.640 84 HG12 VAL 9 HG12 VAL 9 41.373 11.739 1.849 85 HG13 VAL 9 HG13 VAL 9 39.919 12.065 0.875 86 HG21 VAL 9 HG21 VAL 9 41.256 13.478 4.036 87 HG22 VAL 9 HG22 VAL 9 41.647 15.081 3.369 88 HG23 VAL 9 HG23 VAL 9 42.600 13.658 2.883 89 H LYS 10 HN LYS 10 43.049 15.912 -0.179 90 HA LYS 10 HA LYS 10 42.196 18.281 1.341 91 HB2 LYS 10 HB2 LYS 10 44.370 17.700 -0.701 92 HB3 LYS 10 HB1 LYS 10 44.058 19.353 -0.122 93 HG2 LYS 10 HG2 LYS 10 45.833 18.332 1.224 94 HG3 LYS 10 HG1 LYS 10 44.382 18.564 2.228 95 HD2 LYS 10 HD2 LYS 10 43.830 16.252 2.184 96 HD3 LYS 10 HD1 LYS 10 44.896 15.930 0.795 97 HE2 LYS 10 HE2 LYS 10 45.890 15.102 2.915 98 HE3 LYS 10 HE1 LYS 10 46.877 16.399 2.201 99 HZ1 LYS 10 HZ1 LYS 10 46.720 17.193 4.299 100 HZ2 LYS 10 HZ2 LYS 10 45.249 16.409 4.628 101 HZ3 LYS 10 HZ3 LYS 10 45.266 17.842 3.716 102 H ILE 11 HN ILE 11 41.321 16.781 -1.573 103 HA ILE 11 HA ILE 11 39.889 19.268 -2.468 104 HB ILE 11 HB ILE 11 41.250 17.345 -4.393 105 HG12 ILE 11 HG12 ILE 11 42.242 20.012 -3.284 106 HG13 ILE 11 HG11 ILE 11 43.003 18.420 -3.061 107 HG21 ILE 11 HG21 ILE 11 39.256 18.821 -5.093 108 HG22 ILE 11 HG22 ILE 11 40.741 19.007 -6.052 109 HG23 ILE 11 HG23 ILE 11 40.322 20.218 -4.817 110 HD11 ILE 11 HD1 ILE 11 42.797 20.080 -5.595 111 HD12 ILE 11 HD2 ILE 11 43.114 18.328 -5.664 112 HD13 ILE 11 HD3 ILE 11 44.251 19.409 -4.822 113 H ILE 12 HN ILE 12 40.293 15.748 -2.534 114 HA ILE 12 HA ILE 12 37.707 15.274 -3.821 115 HB ILE 12 HB ILE 12 39.561 13.473 -2.231 116 HG12 ILE 12 HG12 ILE 12 39.233 13.693 -5.264 117 HG13 ILE 12 HG11 ILE 12 40.490 14.557 -4.351 118 HG21 ILE 12 HG21 ILE 12 37.385 12.437 -2.295 119 HG22 ILE 12 HG22 ILE 12 38.324 11.645 -3.574 120 HG23 ILE 12 HG23 ILE 12 37.137 12.900 -3.993 121 HD11 ILE 12 HD1 ILE 12 40.228 11.594 -4.909 122 HD12 ILE 12 HD2 ILE 12 41.035 12.105 -3.408 123 HD13 ILE 12 HD3 ILE 12 41.666 12.633 -4.983 124 H GLY 13 HN GLY 13 38.686 13.677 -0.803 125 HA2 GLY 13 HA1 GLY 13 36.077 13.964 0.381 126 HA3 GLY 13 HA2 GLY 13 37.580 13.517 1.227 127 H GLY 14 HN GLY 14 38.439 16.036 -0.468 128 HA2 GLY 14 HA1 GLY 14 38.268 17.927 1.803 129 HA3 GLY 14 HA2 GLY 14 39.149 18.155 0.273 130 H ALA 15 HN ALA 15 37.176 17.683 -1.622 131 HA ALA 15 HA ALA 15 35.515 20.147 -1.235 132 HB1 ALA 15 HB1 ALA 15 36.693 19.733 -3.406 133 HB2 ALA 15 HB2 ALA 15 34.927 19.862 -3.580 134 HB3 ALA 15 HB3 ALA 15 35.709 18.264 -3.621 135 H ALA 16 HN ALA 16 35.195 17.762 0.386 136 HA ALA 16 HA ALA 16 33.424 16.617 1.312 137 HB1 ALA 16 HB1 ALA 16 32.129 18.738 0.493 138 HB2 ALA 16 HB2 ALA 16 31.208 17.273 0.906 139 HB3 ALA 16 HB3 ALA 16 31.526 17.674 -0.797 140 H LEU 17 HN LEU 17 35.191 15.410 -0.510 141 HA LEU 17 HA LEU 17 35.320 13.462 -1.785 142 HB2 LEU 17 HB2 LEU 17 33.660 12.737 0.090 143 HB3 LEU 17 HB1 LEU 17 32.402 12.912 -1.152 144 HG LEU 17 HG LEU 17 34.089 11.401 -2.607 145 HD11 LEU 17 HD11 LEU 17 35.854 11.399 -0.815 146 HD12 LEU 17 HD12 LEU 17 35.294 9.765 -1.238 147 HD13 LEU 17 HD13 LEU 17 34.720 10.543 0.255 148 HD21 LEU 17 HD21 LEU 17 32.257 10.390 -0.386 149 HD22 LEU 17 HD22 LEU 17 32.926 9.352 -1.669 150 HD23 LEU 17 HD23 LEU 17 31.828 10.689 -2.086 151 H ASP 18 HN ASP 18 35.055 15.625 -3.293 152 HA ASP 18 HA ASP 18 34.411 16.357 -5.390 153 HB2 ASP 18 HB2 ASP 18 35.123 14.029 -5.992 154 HB3 ASP 18 HB1 ASP 18 33.433 13.504 -5.804 155 H HIS 19 HN HIS 19 31.848 13.888 -5.009 156 HA HIS 19 HA HIS 19 29.832 15.918 -4.345 157 HB2 HIS 19 HB2 HIS 19 30.115 16.230 -6.811 158 HB3 HIS 19 HB1 HIS 19 29.688 14.519 -7.046 159 HD1 HIS 19 HD1 HIS 19 27.806 15.771 -4.217 160 HD2 HIS 19 HD2 HIS 19 27.378 16.002 -8.394 161 HE1 HIS 19 HE1 HIS 19 25.373 16.378 -4.698 162 H LEU 20 HN LEU 20 30.517 13.844 -2.812 163 HA LEU 20 HA LEU 20 29.718 11.909 -1.808 164 HB2 LEU 20 HB2 LEU 20 27.208 13.109 -3.022 165 HB3 LEU 20 HB1 LEU 20 27.144 11.604 -2.077 166 HG LEU 20 HG LEU 20 28.183 12.750 -0.151 167 HD11 LEU 20 HD11 LEU 20 28.275 15.340 -0.331 168 HD12 LEU 20 HD12 LEU 20 28.246 15.091 -2.094 169 HD13 LEU 20 HD13 LEU 20 29.576 14.420 -1.119 170 HD21 LEU 20 HD21 LEU 20 25.857 14.392 -1.242 171 HD22 LEU 20 HD22 LEU 20 26.266 14.100 0.465 172 HD23 LEU 20 HD23 LEU 20 25.676 12.763 -0.550 Start of MODEL 6 1 H1 TRP 1 HT1 TRP 1 43.996 0.406 12.445 2 H2 TRP 1 HT2 TRP 1 43.163 1.727 13.115 3 H3 TRP 1 HT3 TRP 1 44.855 1.772 12.964 4 HA TRP 1 HA TRP 1 43.984 3.108 11.270 5 HB2 TRP 1 HB2 TRP 1 44.722 1.809 9.245 6 HB3 TRP 1 HB1 TRP 1 45.888 1.768 10.589 7 HD1 TRP 1 HD1 TRP 1 45.861 -0.486 12.130 8 HE1 TRP 1 HE1 TRP 1 45.348 -2.958 11.506 9 HE3 TRP 1 HE3 TRP 1 43.363 0.291 7.728 10 HZ2 TRP 1 HZ2 TRP 1 44.027 -4.374 9.377 11 HZ3 TRP 1 HZ3 TRP 1 42.484 -1.636 6.418 12 HH2 TRP 1 HH2 TRP 1 42.814 -3.965 7.238 13 H LEU 2 HN LEU 2 42.258 3.717 10.122 14 HA LEU 2 HA LEU 2 39.823 2.194 10.271 15 HB2 LEU 2 HB2 LEU 2 40.698 4.643 8.713 16 HB3 LEU 2 HB1 LEU 2 39.084 3.935 8.478 17 HG LEU 2 HG LEU 2 38.554 4.226 10.844 18 HD11 LEU 2 HD11 LEU 2 40.630 3.838 11.959 19 HD12 LEU 2 HD12 LEU 2 40.267 5.551 12.262 20 HD13 LEU 2 HD13 LEU 2 41.465 5.101 11.024 21 HD21 LEU 2 HD21 LEU 2 38.544 6.675 10.939 22 HD22 LEU 2 HD22 LEU 2 38.254 6.154 9.262 23 HD23 LEU 2 HD23 LEU 2 39.859 6.757 9.743 24 H ARG 3 HN ARG 3 41.242 3.354 7.238 25 HA ARG 3 HA ARG 3 41.585 0.705 6.106 26 HB2 ARG 3 HB2 ARG 3 39.095 0.849 6.056 27 HB3 ARG 3 HB1 ARG 3 39.213 2.370 5.145 28 HG2 ARG 3 HG2 ARG 3 38.786 0.491 3.614 29 HG3 ARG 3 HG1 ARG 3 40.396 1.170 3.309 30 HD2 ARG 3 HD2 ARG 3 40.165 -1.127 5.263 31 HD3 ARG 3 HD1 ARG 3 40.043 -1.477 3.524 32 HE ARG 3 HE ARG 3 42.455 -0.535 4.944 33 HH11 ARG 3 HH11 ARG 3 41.994 1.104 2.416 34 HH12 ARG 3 HH12 ARG 3 42.895 0.189 1.255 35 HH21 ARG 3 HH21 ARG 3 43.109 -2.637 3.250 36 HH22 ARG 3 HH22 ARG 3 43.528 -1.928 1.727 37 H ARG 4 HN ARG 4 41.494 4.124 6.110 38 HA ARG 4 HA ARG 4 43.714 4.281 4.222 39 HB2 ARG 4 HB2 ARG 4 42.460 5.950 2.737 40 HB3 ARG 4 HB1 ARG 4 42.017 4.239 2.530 41 HG2 ARG 4 HG2 ARG 4 40.027 4.506 3.871 42 HG3 ARG 4 HG1 ARG 4 40.518 6.140 4.376 43 HD2 ARG 4 HD2 ARG 4 38.796 6.199 2.574 44 HD3 ARG 4 HD1 ARG 4 40.328 6.942 2.057 45 HE ARG 4 HE ARG 4 40.534 4.276 1.257 46 HH11 ARG 4 HH11 ARG 4 40.741 5.688 -1.039 47 HH12 ARG 4 HH12 ARG 4 39.188 5.699 -1.804 48 HH21 ARG 4 HH21 ARG 4 37.470 4.797 1.071 49 HH22 ARG 4 HH22 ARG 4 37.335 5.195 -0.609 50 H ILE 5 HN ILE 5 42.202 5.083 6.952 51 HA ILE 5 HA ILE 5 42.052 7.006 8.291 52 HB ILE 5 HB ILE 5 44.334 7.953 8.778 53 HG12 ILE 5 HG12 ILE 5 45.265 5.974 6.643 54 HG13 ILE 5 HG11 ILE 5 45.152 7.729 6.378 55 HG21 ILE 5 HG21 ILE 5 43.413 5.802 9.776 56 HG22 ILE 5 HG22 ILE 5 45.187 5.906 9.742 57 HG23 ILE 5 HG23 ILE 5 44.331 4.913 8.538 58 HD11 ILE 5 HD1 ILE 5 46.987 6.211 8.263 59 HD12 ILE 5 HD2 ILE 5 46.658 7.946 8.494 60 HD13 ILE 5 HD3 ILE 5 47.417 7.376 6.991 61 H GLY 6 HN GLY 6 41.195 7.610 5.619 62 HA2 GLY 6 HA1 GLY 6 40.592 9.521 4.461 63 HA3 GLY 6 HA2 GLY 6 41.273 10.480 5.789 64 H LYS 7 HN LYS 7 42.799 8.140 3.544 65 HA LYS 7 HA LYS 7 45.023 9.996 3.097 66 HB2 LYS 7 HB2 LYS 7 45.250 7.487 3.174 67 HB3 LYS 7 HB1 LYS 7 44.373 7.413 1.627 68 HG2 LYS 7 HG2 LYS 7 46.084 8.787 0.541 69 HG3 LYS 7 HG1 LYS 7 46.933 9.005 2.090 70 HD2 LYS 7 HD2 LYS 7 47.340 6.571 2.225 71 HD3 LYS 7 HD1 LYS 7 46.470 6.335 0.688 72 HE2 LYS 7 HE2 LYS 7 48.131 7.897 -0.406 73 HE3 LYS 7 HE1 LYS 7 49.050 7.900 1.117 74 HZ1 LYS 7 HZ1 LYS 7 48.309 5.382 -0.263 75 HZ2 LYS 7 HZ2 LYS 7 49.499 5.626 0.925 76 HZ3 LYS 7 HZ3 LYS 7 49.728 6.225 -0.649 77 H GLY 8 HN GLY 8 45.081 11.585 1.662 78 HA2 GLY 8 HA1 GLY 8 44.672 12.788 -0.270 79 HA3 GLY 8 HA2 GLY 8 44.158 11.274 -1.039 80 H VAL 9 HN VAL 9 43.110 13.951 1.062 81 HA VAL 9 HA VAL 9 40.452 13.890 -0.233 82 HB VAL 9 HB VAL 9 39.243 13.868 1.963 83 HG11 VAL 9 HG11 VAL 9 39.597 11.803 0.482 84 HG12 VAL 9 HG12 VAL 9 39.223 11.477 2.190 85 HG13 VAL 9 HG13 VAL 9 40.897 11.335 1.604 86 HG21 VAL 9 HG21 VAL 9 41.994 13.046 2.996 87 HG22 VAL 9 HG22 VAL 9 40.486 12.919 3.931 88 HG23 VAL 9 HG23 VAL 9 41.091 14.517 3.432 89 H LYS 10 HN LYS 10 42.863 15.645 0.070 90 HA LYS 10 HA LYS 10 41.993 17.868 1.777 91 HB2 LYS 10 HB2 LYS 10 44.123 17.728 -0.396 92 HB3 LYS 10 HB1 LYS 10 43.923 19.042 0.786 93 HG2 LYS 10 HG2 LYS 10 44.541 17.654 2.619 94 HG3 LYS 10 HG1 LYS 10 44.297 16.159 1.687 95 HD2 LYS 10 HD2 LYS 10 46.716 16.713 1.972 96 HD3 LYS 10 HD1 LYS 10 46.221 16.686 0.264 97 HE2 LYS 10 HE2 LYS 10 47.681 18.677 1.026 98 HE3 LYS 10 HE1 LYS 10 46.200 19.064 0.118 99 HZ1 LYS 10 HZ1 LYS 10 46.728 20.297 2.323 100 HZ2 LYS 10 HZ2 LYS 10 46.109 18.897 3.061 101 HZ3 LYS 10 HZ3 LYS 10 45.137 19.803 2.001 102 H ILE 11 HN ILE 11 41.248 16.693 -1.333 103 HA ILE 11 HA ILE 11 39.805 19.245 -1.992 104 HB ILE 11 HB ILE 11 41.344 17.633 -4.061 105 HG12 ILE 11 HG12 ILE 11 42.181 20.158 -2.562 106 HG13 ILE 11 HG11 ILE 11 42.973 18.567 -2.481 107 HG21 ILE 11 HG21 ILE 11 39.347 19.144 -4.683 108 HG22 ILE 11 HG22 ILE 11 40.878 19.483 -5.519 109 HG23 ILE 11 HG23 ILE 11 40.354 20.515 -4.166 110 HD11 ILE 11 HD1 ILE 11 44.301 19.792 -4.021 111 HD12 ILE 11 HD2 ILE 11 42.880 20.517 -4.807 112 HD13 ILE 11 HD3 ILE 11 43.256 18.795 -5.060 113 H ILE 12 HN ILE 12 40.347 15.782 -2.523 114 HA ILE 12 HA ILE 12 37.874 15.406 -4.034 115 HB ILE 12 HB ILE 12 39.624 13.444 -2.522 116 HG12 ILE 12 HG12 ILE 12 41.004 14.568 -4.145 117 HG13 ILE 12 HG11 ILE 12 40.631 12.964 -4.805 118 HG21 ILE 12 HG21 ILE 12 38.592 11.886 -4.446 119 HG22 ILE 12 HG22 ILE 12 37.300 13.109 -4.443 120 HG23 ILE 12 HG23 ILE 12 37.678 12.213 -2.958 121 HD11 ILE 12 HD1 ILE 12 38.632 14.194 -6.001 122 HD12 ILE 12 HD2 ILE 12 40.272 14.390 -6.652 123 HD13 ILE 12 HD3 ILE 12 39.554 15.672 -5.650 124 H GLY 13 HN GLY 13 38.664 13.454 -1.172 125 HA2 GLY 13 HA1 GLY 13 35.966 13.508 -0.191 126 HA3 GLY 13 HA2 GLY 13 37.411 13.012 0.721 127 H GLY 14 HN GLY 14 38.304 15.755 -0.559 128 HA2 GLY 14 HA1 GLY 14 37.853 17.327 1.907 129 HA3 GLY 14 HA2 GLY 14 38.846 17.784 0.505 130 H ALA 15 HN ALA 15 37.040 17.470 -1.591 131 HA ALA 15 HA ALA 15 35.273 19.828 -1.074 132 HB1 ALA 15 HB1 ALA 15 34.859 19.758 -3.484 133 HB2 ALA 15 HB2 ALA 15 35.741 18.219 -3.618 134 HB3 ALA 15 HB3 ALA 15 36.609 19.710 -3.172 135 H ALA 16 HN ALA 16 34.944 17.201 0.198 136 HA ALA 16 HA ALA 16 33.123 15.956 0.877 137 HB1 ALA 16 HB1 ALA 16 31.347 17.126 -1.276 138 HB2 ALA 16 HB2 ALA 16 31.824 18.118 0.122 139 HB3 ALA 16 HB3 ALA 16 30.931 16.599 0.372 140 H LEU 17 HN LEU 17 35.097 15.065 -0.979 141 HA LEU 17 HA LEU 17 35.411 13.290 -2.464 142 HB2 LEU 17 HB2 LEU 17 33.843 12.243 -0.670 143 HB3 LEU 17 HB1 LEU 17 32.558 12.426 -1.882 144 HG LEU 17 HG LEU 17 34.359 11.218 -3.483 145 HD11 LEU 17 HD11 LEU 17 35.049 9.980 -0.786 146 HD12 LEU 17 HD12 LEU 17 36.058 11.233 -1.541 147 HD13 LEU 17 HD13 LEU 17 35.810 9.677 -2.366 148 HD21 LEU 17 HD21 LEU 17 32.134 10.309 -2.983 149 HD22 LEU 17 HD22 LEU 17 32.682 9.781 -1.373 150 HD23 LEU 17 HD23 LEU 17 33.349 9.018 -2.836 151 H ASP 18 HN ASP 18 34.688 15.698 -3.633 152 HA ASP 18 HA ASP 18 33.853 16.578 -5.610 153 HB2 ASP 18 HB2 ASP 18 33.822 13.650 -6.451 154 HB3 ASP 18 HB1 ASP 18 33.765 15.057 -7.542 155 H HIS 19 HN HIS 19 31.965 16.011 -3.520 156 HA HIS 19 HA HIS 19 29.675 15.813 -3.187 157 HB2 HIS 19 HB2 HIS 19 29.738 17.800 -4.674 158 HB3 HIS 19 HB1 HIS 19 29.580 16.731 -6.088 159 HD1 HIS 19 HD1 HIS 19 27.232 16.988 -6.911 160 HD2 HIS 19 HD2 HIS 19 27.421 16.577 -2.731 161 HE1 HIS 19 HE1 HIS 19 24.829 16.916 -6.043 162 H LEU 20 HN LEU 20 30.842 13.376 -3.688 163 HA LEU 20 HA LEU 20 30.321 11.218 -4.347 164 HB2 LEU 20 HB2 LEU 20 28.161 11.935 -3.179 165 HB3 LEU 20 HB1 LEU 20 27.505 12.267 -4.796 166 HG LEU 20 HG LEU 20 28.282 9.797 -5.349 167 HD11 LEU 20 HD11 LEU 20 29.529 9.294 -3.320 168 HD12 LEU 20 HD12 LEU 20 28.048 8.313 -3.302 169 HD13 LEU 20 HD13 LEU 20 28.157 9.774 -2.295 170 HD21 LEU 20 HD21 LEU 20 26.100 8.929 -4.530 171 HD22 LEU 20 HD22 LEU 20 25.927 10.538 -5.272 172 HD23 LEU 20 HD23 LEU 20 25.922 10.369 -3.500 Start of MODEL 7 1 H1 TRP 1 HT1 TRP 1 37.844 0.387 8.520 2 H2 TRP 1 HT2 TRP 1 37.589 0.417 10.199 3 H3 TRP 1 HT3 TRP 1 38.196 -0.984 9.452 4 HA TRP 1 HA TRP 1 39.557 1.629 9.601 5 HB2 TRP 1 HB2 TRP 1 40.350 -0.962 10.972 6 HB3 TRP 1 HB1 TRP 1 40.960 0.683 11.272 7 HD1 TRP 1 HD1 TRP 1 37.568 -1.199 11.445 8 HE1 TRP 1 HE1 TRP 1 36.214 -0.305 13.476 9 HE3 TRP 1 HE3 TRP 1 40.820 2.412 13.057 10 HZ2 TRP 1 HZ2 TRP 1 36.528 1.710 15.508 11 HZ3 TRP 1 HZ3 TRP 1 40.272 3.808 15.045 12 HH2 TRP 1 HH2 TRP 1 38.130 3.461 16.271 13 H LEU 2 HN LEU 2 39.802 1.436 7.256 14 HA LEU 2 HA LEU 2 41.128 -0.835 6.085 15 HB2 LEU 2 HB2 LEU 2 41.233 2.020 5.059 16 HB3 LEU 2 HB1 LEU 2 41.358 0.514 4.120 17 HG LEU 2 HG LEU 2 38.887 1.417 5.672 18 HD11 LEU 2 HD11 LEU 2 39.499 1.393 2.683 19 HD12 LEU 2 HD12 LEU 2 39.339 2.840 3.707 20 HD13 LEU 2 HD13 LEU 2 37.927 1.798 3.412 21 HD21 LEU 2 HD21 LEU 2 38.841 -0.969 5.570 22 HD22 LEU 2 HD22 LEU 2 39.534 -0.998 3.930 23 HD23 LEU 2 HD23 LEU 2 37.859 -0.451 4.181 24 H ARG 3 HN ARG 3 42.455 2.463 6.338 25 HA ARG 3 HA ARG 3 44.898 1.505 7.659 26 HB2 ARG 3 HB2 ARG 3 45.199 0.959 5.172 27 HB3 ARG 3 HB1 ARG 3 45.153 2.713 4.875 28 HG2 ARG 3 HG2 ARG 3 47.074 3.050 6.366 29 HG3 ARG 3 HG1 ARG 3 47.092 1.317 6.774 30 HD2 ARG 3 HD2 ARG 3 48.780 1.654 5.087 31 HD3 ARG 3 HD1 ARG 3 47.408 0.844 4.292 32 HE ARG 3 HE ARG 3 46.839 3.485 3.838 33 HH11 ARG 3 HH11 ARG 3 47.826 1.816 1.594 34 HH12 ARG 3 HH12 ARG 3 49.274 2.637 1.117 35 HH21 ARG 3 HH21 ARG 3 49.523 4.463 4.055 36 HH22 ARG 3 HH22 ARG 3 50.234 4.137 2.509 37 H ARG 4 HN ARG 4 42.632 3.772 6.591 38 HA ARG 4 HA ARG 4 43.858 5.886 8.280 39 HB2 ARG 4 HB2 ARG 4 43.075 6.332 5.366 40 HB3 ARG 4 HB1 ARG 4 43.535 7.603 6.523 41 HG2 ARG 4 HG2 ARG 4 45.737 6.347 6.851 42 HG3 ARG 4 HG1 ARG 4 45.271 5.339 5.460 43 HD2 ARG 4 HD2 ARG 4 45.495 8.381 5.416 44 HD3 ARG 4 HD1 ARG 4 46.726 7.256 4.790 45 HE ARG 4 HE ARG 4 44.263 6.592 3.544 46 HH11 ARG 4 HH11 ARG 4 47.107 7.792 2.641 47 HH12 ARG 4 HH12 ARG 4 46.527 9.006 1.549 48 HH21 ARG 4 HH21 ARG 4 43.235 8.766 2.613 49 HH22 ARG 4 HH22 ARG 4 44.335 9.557 1.534 50 H ILE 5 HN ILE 5 41.374 3.934 7.569 51 HA ILE 5 HA ILE 5 39.110 3.995 8.031 52 HB ILE 5 HB ILE 5 39.553 6.632 9.492 53 HG12 ILE 5 HG12 ILE 5 40.165 3.791 10.436 54 HG13 ILE 5 HG11 ILE 5 41.343 5.101 10.199 55 HG21 ILE 5 HG21 ILE 5 37.775 4.270 10.229 56 HG22 ILE 5 HG22 ILE 5 37.221 5.560 9.137 57 HG23 ILE 5 HG23 ILE 5 37.680 5.950 10.810 58 HD11 ILE 5 HD1 ILE 5 40.914 5.116 12.535 59 HD12 ILE 5 HD2 ILE 5 39.167 4.878 12.304 60 HD13 ILE 5 HD3 ILE 5 39.913 6.445 11.903 61 H GLY 6 HN GLY 6 39.600 4.757 5.543 62 HA2 GLY 6 HA1 GLY 6 38.924 6.113 3.778 63 HA3 GLY 6 HA2 GLY 6 37.378 6.104 4.649 64 H LYS 7 HN LYS 7 40.542 7.632 5.378 65 HA LYS 7 HA LYS 7 39.192 10.117 6.143 66 HB2 LYS 7 HB2 LYS 7 41.233 9.350 7.292 67 HB3 LYS 7 HB1 LYS 7 42.145 9.476 5.768 68 HG2 LYS 7 HG2 LYS 7 41.846 11.865 5.683 69 HG3 LYS 7 HG1 LYS 7 40.654 11.826 7.005 70 HD2 LYS 7 HD2 LYS 7 42.430 10.978 8.545 71 HD3 LYS 7 HD1 LYS 7 43.614 11.122 7.223 72 HE2 LYS 7 HE2 LYS 7 43.065 13.561 7.048 73 HE3 LYS 7 HE1 LYS 7 41.982 13.388 8.450 74 HZ1 LYS 7 HZ1 LYS 7 44.854 13.544 8.356 75 HZ2 LYS 7 HZ2 LYS 7 44.296 12.235 9.287 76 HZ3 LYS 7 HZ3 LYS 7 43.794 13.817 9.652 77 H GLY 8 HN GLY 8 38.520 11.631 4.788 78 HA2 GLY 8 HA1 GLY 8 38.985 11.616 2.003 79 HA3 GLY 8 HA2 GLY 8 38.432 13.018 2.940 80 H VAL 9 HN VAL 9 40.332 12.679 0.617 81 HA VAL 9 HA VAL 9 42.992 13.214 1.584 82 HB VAL 9 HB VAL 9 43.193 14.285 -0.835 83 HG11 VAL 9 HG11 VAL 9 44.093 12.081 -0.282 84 HG12 VAL 9 HG12 VAL 9 43.233 11.983 -1.838 85 HG13 VAL 9 HG13 VAL 9 42.468 11.360 -0.356 86 HG21 VAL 9 HG21 VAL 9 41.419 13.791 -2.357 87 HG22 VAL 9 HG22 VAL 9 40.602 14.475 -0.932 88 HG23 VAL 9 HG23 VAL 9 40.603 12.716 -1.196 89 H LYS 10 HN LYS 10 41.889 15.663 -0.594 90 HA LYS 10 HA LYS 10 41.508 17.681 1.553 91 HB2 LYS 10 HB2 LYS 10 44.008 17.443 1.160 92 HB3 LYS 10 HB1 LYS 10 43.725 18.009 -0.503 93 HG2 LYS 10 HG2 LYS 10 42.689 20.087 0.392 94 HG3 LYS 10 HG1 LYS 10 43.019 19.526 2.048 95 HD2 LYS 10 HD2 LYS 10 45.408 19.567 1.662 96 HD3 LYS 10 HD1 LYS 10 45.173 19.873 -0.076 97 HE2 LYS 10 HE2 LYS 10 44.174 22.059 0.405 98 HE3 LYS 10 HE1 LYS 10 44.274 21.751 2.154 99 HZ1 LYS 10 HZ1 LYS 10 46.144 23.059 0.817 100 HZ2 LYS 10 HZ2 LYS 10 46.745 21.482 0.619 101 HZ3 LYS 10 HZ3 LYS 10 46.494 22.108 2.178 102 H ILE 11 HN ILE 11 41.358 16.562 -1.739 103 HA ILE 11 HA ILE 11 39.725 18.993 -2.487 104 HB ILE 11 HB ILE 11 41.186 17.164 -4.436 105 HG12 ILE 11 HG12 ILE 11 42.126 19.768 -3.145 106 HG13 ILE 11 HG11 ILE 11 42.863 18.161 -2.942 107 HG21 ILE 11 HG21 ILE 11 40.297 20.062 -4.751 108 HG22 ILE 11 HG22 ILE 11 39.232 18.691 -5.145 109 HG23 ILE 11 HG23 ILE 11 40.762 18.907 -6.023 110 HD11 ILE 11 HD1 ILE 11 43.123 18.171 -5.535 111 HD12 ILE 11 HD2 ILE 11 44.214 19.211 -4.589 112 HD13 ILE 11 HD3 ILE 11 42.809 19.919 -5.418 113 H ILE 12 HN ILE 12 40.206 15.518 -3.315 114 HA ILE 12 HA ILE 12 37.488 15.319 -4.374 115 HB ILE 12 HB ILE 12 39.516 13.184 -3.633 116 HG12 ILE 12 HG12 ILE 12 38.956 14.084 -6.489 117 HG13 ILE 12 HG11 ILE 12 40.049 15.051 -5.477 118 HG21 ILE 12 HG21 ILE 12 37.522 11.957 -3.879 119 HG22 ILE 12 HG22 ILE 12 38.089 11.962 -5.561 120 HG23 ILE 12 HG23 ILE 12 36.830 13.106 -5.048 121 HD11 ILE 12 HD1 ILE 12 41.125 13.204 -6.924 122 HD12 ILE 12 HD2 ILE 12 40.412 12.048 -5.778 123 HD13 ILE 12 HD3 ILE 12 41.584 13.256 -5.208 124 H GLY 13 HN GLY 13 38.627 12.740 -2.265 125 HA2 GLY 13 HA1 GLY 13 36.187 12.554 -0.826 126 HA3 GLY 13 HA2 GLY 13 37.751 11.908 -0.283 127 H GLY 14 HN GLY 14 38.499 14.843 -0.958 128 HA2 GLY 14 HA1 GLY 14 38.383 15.819 1.820 129 HA3 GLY 14 HA2 GLY 14 39.191 16.592 0.441 130 H ALA 15 HN ALA 15 37.183 16.841 -1.455 131 HA ALA 15 HA ALA 15 35.462 18.890 -0.086 132 HB1 ALA 15 HB1 ALA 15 35.536 18.141 -3.032 133 HB2 ALA 15 HB2 ALA 15 36.605 19.364 -2.296 134 HB3 ALA 15 HB3 ALA 15 34.843 19.601 -2.295 135 H ALA 16 HN ALA 16 35.284 16.017 0.409 136 HA ALA 16 HA ALA 16 33.565 14.544 0.858 137 HB1 ALA 16 HB1 ALA 16 31.327 15.231 0.813 138 HB2 ALA 16 HB2 ALA 16 31.557 16.258 -0.622 139 HB3 ALA 16 HB3 ALA 16 32.189 16.780 0.957 140 H LEU 17 HN LEU 17 35.288 14.101 -1.238 141 HA LEU 17 HA LEU 17 35.444 12.789 -3.150 142 HB2 LEU 17 HB2 LEU 17 32.479 12.159 -2.877 143 HB3 LEU 17 HB1 LEU 17 33.723 11.195 -3.693 144 HG LEU 17 HG LEU 17 33.980 11.784 -0.720 145 HD11 LEU 17 HD11 LEU 17 32.783 9.646 -0.268 146 HD12 LEU 17 HD12 LEU 17 32.338 9.555 -1.989 147 HD13 LEU 17 HD13 LEU 17 31.715 10.881 -0.977 148 HD21 LEU 17 HD21 LEU 17 34.732 9.276 -2.276 149 HD22 LEU 17 HD22 LEU 17 35.363 9.837 -0.710 150 HD23 LEU 17 HD23 LEU 17 35.812 10.685 -2.205 151 H ASP 18 HN ASP 18 35.001 15.543 -3.461 152 HA ASP 18 HA ASP 18 34.338 17.096 -5.057 153 HB2 ASP 18 HB2 ASP 18 34.372 14.562 -6.742 154 HB3 ASP 18 HB1 ASP 18 34.160 16.195 -7.419 155 H HIS 19 HN HIS 19 32.283 15.809 -3.395 156 HA HIS 19 HA HIS 19 29.972 15.644 -3.272 157 HB2 HIS 19 HB2 HIS 19 30.296 18.080 -3.867 158 HB3 HIS 19 HB1 HIS 19 30.007 17.641 -5.568 159 HD1 HIS 19 HD1 HIS 19 27.961 19.523 -4.591 160 HD2 HIS 19 HD2 HIS 19 27.651 15.413 -3.756 161 HE1 HIS 19 HE1 HIS 19 25.504 19.030 -4.094 162 H LEU 20 HN LEU 20 30.633 13.432 -4.337 163 HA LEU 20 HA LEU 20 28.548 12.875 -6.288 164 HB2 LEU 20 HB2 LEU 20 30.451 13.846 -7.695 165 HB3 LEU 20 HB1 LEU 20 31.409 12.430 -7.210 166 HG LEU 20 HG LEU 20 29.310 11.043 -8.068 167 HD11 LEU 20 HD11 LEU 20 27.778 12.899 -8.480 168 HD12 LEU 20 HD12 LEU 20 28.235 12.192 -10.044 169 HD13 LEU 20 HD13 LEU 20 28.975 13.717 -9.509 170 HD21 LEU 20 HD21 LEU 20 31.224 12.483 -9.961 171 HD22 LEU 20 HD22 LEU 20 30.281 11.031 -10.369 172 HD23 LEU 20 HD23 LEU 20 31.536 10.951 -9.110 Start of MODEL 8 1 H1 TRP 1 HT1 TRP 1 40.896 1.551 13.230 2 H2 TRP 1 HT2 TRP 1 41.806 2.891 12.716 3 H3 TRP 1 HT3 TRP 1 42.368 1.314 12.424 4 HA TRP 1 HA TRP 1 41.472 2.329 10.444 5 HB2 TRP 1 HB2 TRP 1 39.555 0.149 11.321 6 HB3 TRP 1 HB1 TRP 1 40.318 0.402 9.732 7 HD1 TRP 1 HD1 TRP 1 40.582 -1.754 12.621 8 HE1 TRP 1 HE1 TRP 1 42.905 -2.903 12.811 9 HE3 TRP 1 HE3 TRP 1 43.199 1.160 9.320 10 HZ2 TRP 1 HZ2 TRP 1 45.528 -2.577 11.672 11 HZ3 TRP 1 HZ3 TRP 1 45.612 0.720 8.889 12 HH2 TRP 1 HH2 TRP 1 46.776 -1.143 10.060 13 H LEU 2 HN LEU 2 38.971 2.084 9.456 14 HA LEU 2 HA LEU 2 36.986 3.329 11.178 15 HB2 LEU 2 HB2 LEU 2 38.738 5.179 10.458 16 HB3 LEU 2 HB1 LEU 2 37.870 5.131 8.910 17 HG LEU 2 HG LEU 2 36.674 5.702 11.661 18 HD11 LEU 2 HD11 LEU 2 37.938 7.572 10.648 19 HD12 LEU 2 HD12 LEU 2 36.192 7.918 10.657 20 HD13 LEU 2 HD13 LEU 2 36.991 7.406 9.151 21 HD21 LEU 2 HD21 LEU 2 34.981 4.497 10.483 22 HD22 LEU 2 HD22 LEU 2 35.398 5.262 8.931 23 HD23 LEU 2 HD23 LEU 2 34.589 6.208 10.203 24 H ARG 3 HN ARG 3 37.772 3.694 7.719 25 HA ARG 3 HA ARG 3 35.982 1.632 6.810 26 HB2 ARG 3 HB2 ARG 3 34.233 3.184 7.632 27 HB3 ARG 3 HB1 ARG 3 34.930 4.490 6.644 28 HG2 ARG 3 HG2 ARG 3 34.430 3.309 4.592 29 HG3 ARG 3 HG1 ARG 3 33.961 1.844 5.487 30 HD2 ARG 3 HD2 ARG 3 32.093 3.113 6.546 31 HD3 ARG 3 HD1 ARG 3 32.543 4.543 5.587 32 HE ARG 3 HE ARG 3 31.368 3.557 3.803 33 HH11 ARG 3 HH11 ARG 3 30.462 1.509 6.030 34 HH12 ARG 3 HH12 ARG 3 30.675 0.032 5.150 35 HH21 ARG 3 HH21 ARG 3 32.548 1.495 2.625 36 HH22 ARG 3 HH22 ARG 3 31.856 0.025 3.223 37 H ARG 4 HN ARG 4 38.014 4.349 6.533 38 HA ARG 4 HA ARG 4 38.790 3.555 3.773 39 HB2 ARG 4 HB2 ARG 4 38.253 6.466 4.478 40 HB3 ARG 4 HB1 ARG 4 38.627 5.772 2.882 41 HG2 ARG 4 HG2 ARG 4 36.486 4.423 3.063 42 HG3 ARG 4 HG1 ARG 4 36.095 5.357 4.527 43 HD2 ARG 4 HD2 ARG 4 36.324 7.467 3.169 44 HD3 ARG 4 HD1 ARG 4 36.528 6.457 1.717 45 HE ARG 4 HE ARG 4 34.015 7.040 3.016 46 HH11 ARG 4 HH11 ARG 4 32.292 5.521 2.815 47 HH12 ARG 4 HH12 ARG 4 32.449 4.258 1.640 48 HH21 ARG 4 HH21 ARG 4 35.754 4.996 0.900 49 HH22 ARG 4 HH22 ARG 4 34.409 3.961 0.556 50 H ILE 5 HN ILE 5 39.449 4.376 6.952 51 HA ILE 5 HA ILE 5 41.424 4.798 8.076 52 HB ILE 5 HB ILE 5 42.911 4.138 5.499 53 HG12 ILE 5 HG12 ILE 5 41.727 2.247 7.584 54 HG13 ILE 5 HG11 ILE 5 41.181 2.415 5.899 55 HG21 ILE 5 HG21 ILE 5 43.628 3.510 8.391 56 HG22 ILE 5 HG22 ILE 5 44.106 5.032 7.602 57 HG23 ILE 5 HG23 ILE 5 44.688 3.479 6.962 58 HD11 ILE 5 HD1 ILE 5 43.643 1.853 5.253 59 HD12 ILE 5 HD2 ILE 5 42.617 0.527 5.850 60 HD13 ILE 5 HD3 ILE 5 43.803 1.288 6.934 61 H GLY 6 HN GLY 6 42.567 5.764 4.811 62 HA2 GLY 6 HA1 GLY 6 43.849 8.109 5.678 63 HA3 GLY 6 HA2 GLY 6 43.273 7.817 4.026 64 H LYS 7 HN LYS 7 40.463 7.559 4.833 65 HA LYS 7 HA LYS 7 38.625 8.968 4.958 66 HB2 LYS 7 HB2 LYS 7 39.414 9.080 7.339 67 HB3 LYS 7 HB1 LYS 7 40.335 10.545 6.921 68 HG2 LYS 7 HG2 LYS 7 38.298 11.717 6.285 69 HG3 LYS 7 HG1 LYS 7 37.333 10.237 6.498 70 HD2 LYS 7 HD2 LYS 7 37.769 10.214 8.885 71 HD3 LYS 7 HD1 LYS 7 38.933 11.553 8.732 72 HE2 LYS 7 HE2 LYS 7 36.639 12.254 9.553 73 HE3 LYS 7 HE1 LYS 7 37.181 13.095 8.081 74 HZ1 LYS 7 HZ1 LYS 7 34.812 11.966 8.264 75 HZ2 LYS 7 HZ2 LYS 7 35.682 10.602 7.743 76 HZ3 LYS 7 HZ3 LYS 7 35.669 12.017 6.802 77 H GLY 8 HN GLY 8 39.046 9.593 2.730 78 HA2 GLY 8 HA1 GLY 8 39.021 11.291 1.151 79 HA3 GLY 8 HA2 GLY 8 39.105 12.475 2.471 80 H VAL 9 HN VAL 9 40.536 13.754 1.208 81 HA VAL 9 HA VAL 9 43.364 12.875 1.518 82 HB VAL 9 HB VAL 9 42.240 13.793 -1.172 83 HG11 VAL 9 HG11 VAL 9 44.614 13.249 -1.910 84 HG12 VAL 9 HG12 VAL 9 45.046 13.116 -0.189 85 HG13 VAL 9 HG13 VAL 9 44.478 14.668 -0.848 86 HG21 VAL 9 HG21 VAL 9 43.257 11.108 -0.146 87 HG22 VAL 9 HG22 VAL 9 43.068 11.484 -1.874 88 HG23 VAL 9 HG23 VAL 9 41.647 11.476 -0.807 89 H LYS 10 HN LYS 10 41.967 15.452 -0.526 90 HA LYS 10 HA LYS 10 42.242 17.513 1.482 91 HB2 LYS 10 HB2 LYS 10 44.702 16.717 0.558 92 HB3 LYS 10 HB1 LYS 10 44.320 17.958 -0.650 93 HG2 LYS 10 HG2 LYS 10 44.308 18.341 2.383 94 HG3 LYS 10 HG1 LYS 10 45.561 18.922 1.260 95 HD2 LYS 10 HD2 LYS 10 43.619 20.168 0.049 96 HD3 LYS 10 HD1 LYS 10 42.676 19.844 1.525 97 HE2 LYS 10 HE2 LYS 10 45.204 21.494 1.227 98 HE3 LYS 10 HE1 LYS 10 43.632 21.984 1.902 99 HZ1 LYS 10 HZ1 LYS 10 44.524 21.481 3.866 100 HZ2 LYS 10 HZ2 LYS 10 45.840 20.657 3.175 101 HZ3 LYS 10 HZ3 LYS 10 44.367 19.849 3.428 102 H ILE 11 HN ILE 11 41.657 16.303 -1.680 103 HA ILE 11 HA ILE 11 40.419 18.931 -2.518 104 HB ILE 11 HB ILE 11 41.307 16.686 -4.369 105 HG12 ILE 11 HG12 ILE 11 42.843 19.169 -3.470 106 HG13 ILE 11 HG11 ILE 11 43.287 17.478 -3.143 107 HG21 ILE 11 HG21 ILE 11 41.050 18.324 -6.103 108 HG22 ILE 11 HG22 ILE 11 40.938 19.659 -4.931 109 HG23 ILE 11 HG23 ILE 11 39.605 18.489 -5.080 110 HD11 ILE 11 HD1 ILE 11 43.273 17.181 -5.732 111 HD12 ILE 11 HD2 ILE 11 44.630 18.076 -5.008 112 HD13 ILE 11 HD3 ILE 11 43.303 18.961 -5.794 113 H ILE 12 HN ILE 12 40.202 15.372 -2.941 114 HA ILE 12 HA ILE 12 37.434 15.512 -3.825 115 HB ILE 12 HB ILE 12 39.057 13.189 -2.740 116 HG12 ILE 12 HG12 ILE 12 40.244 14.156 -4.616 117 HG13 ILE 12 HG11 ILE 12 39.485 12.654 -5.175 118 HG21 ILE 12 HG21 ILE 12 36.894 12.308 -2.780 119 HG22 ILE 12 HG22 ILE 12 37.357 11.980 -4.464 120 HG23 ILE 12 HG23 ILE 12 36.348 13.393 -4.078 121 HD11 ILE 12 HD1 ILE 12 38.978 14.170 -6.910 122 HD12 ILE 12 HD2 ILE 12 38.718 15.524 -5.789 123 HD13 ILE 12 HD3 ILE 12 37.504 14.229 -5.919 124 H GLY 13 HN GLY 13 38.139 13.136 -1.342 125 HA2 GLY 13 HA1 GLY 13 35.827 13.662 0.185 126 HA3 GLY 13 HA2 GLY 13 37.300 12.885 0.804 127 H GLY 14 HN GLY 14 38.548 15.453 -0.384 128 HA2 GLY 14 HA1 GLY 14 38.687 16.910 2.166 129 HA3 GLY 14 HA2 GLY 14 39.555 17.287 0.663 130 H ALA 15 HN ALA 15 37.523 17.534 -1.211 131 HA ALA 15 HA ALA 15 36.259 20.074 -0.236 132 HB1 ALA 15 HB1 ALA 15 37.324 19.938 -2.512 133 HB2 ALA 15 HB2 ALA 15 35.613 20.421 -2.540 134 HB3 ALA 15 HB3 ALA 15 36.070 18.759 -2.974 135 H ALA 16 HN ALA 16 35.605 17.394 0.791 136 HA ALA 16 HA ALA 16 33.662 16.433 1.600 137 HB1 ALA 16 HB1 ALA 16 31.584 17.484 1.412 138 HB2 ALA 16 HB2 ALA 16 31.901 18.064 -0.240 139 HB3 ALA 16 HB3 ALA 16 32.695 18.847 1.147 140 H LEU 17 HN LEU 17 35.244 15.387 -0.516 141 HA LEU 17 HA LEU 17 35.092 13.666 -2.067 142 HB2 LEU 17 HB2 LEU 17 33.076 13.146 -0.260 143 HB3 LEU 17 HB1 LEU 17 32.135 13.234 -1.762 144 HG LEU 17 HG LEU 17 34.610 11.480 -1.355 145 HD11 LEU 17 HD11 LEU 17 32.980 9.611 -1.308 146 HD12 LEU 17 HD12 LEU 17 31.641 10.782 -1.384 147 HD13 LEU 17 HD13 LEU 17 32.710 10.742 0.040 148 HD21 LEU 17 HD21 LEU 17 34.326 12.040 -3.694 149 HD22 LEU 17 HD22 LEU 17 32.568 11.774 -3.602 150 HD23 LEU 17 HD23 LEU 17 33.687 10.396 -3.468 151 H ASP 18 HN ASP 18 34.200 16.586 -2.552 152 HA ASP 18 HA ASP 18 33.459 17.836 -4.355 153 HB2 ASP 18 HB2 ASP 18 35.210 16.566 -5.527 154 HB3 ASP 18 HB1 ASP 18 34.051 15.261 -5.870 155 H HIS 19 HN HIS 19 32.318 14.736 -5.694 156 HA HIS 19 HA HIS 19 29.780 15.720 -6.437 157 HB2 HIS 19 HB2 HIS 19 30.875 13.552 -7.170 158 HB3 HIS 19 HB1 HIS 19 30.378 12.853 -5.610 159 HD1 HIS 19 HD1 HIS 19 27.615 14.689 -5.700 160 HD2 HIS 19 HD2 HIS 19 28.954 11.863 -8.514 161 HE1 HIS 19 HE1 HIS 19 25.568 13.868 -6.989 162 H LEU 20 HN LEU 20 30.304 13.360 -3.773 163 HA LEU 20 HA LEU 20 27.793 14.262 -2.497 164 HB2 LEU 20 HB2 LEU 20 29.794 12.276 -1.369 165 HB3 LEU 20 HB1 LEU 20 28.040 12.376 -1.079 166 HG LEU 20 HG LEU 20 29.412 11.613 -3.696 167 HD11 LEU 20 HD11 LEU 20 27.670 10.052 -1.735 168 HD12 LEU 20 HD12 LEU 20 29.420 9.838 -1.982 169 HD13 LEU 20 HD13 LEU 20 28.282 9.432 -3.288 170 HD21 LEU 20 HD21 LEU 20 27.434 12.811 -4.315 171 HD22 LEU 20 HD22 LEU 20 26.494 12.116 -2.972 172 HD23 LEU 20 HD23 LEU 20 26.962 11.097 -4.356 Start of MODEL 9 1 H1 TRP 1 HT1 TRP 1 38.846 1.060 12.522 2 H2 TRP 1 HT2 TRP 1 37.474 0.066 12.379 3 H3 TRP 1 HT3 TRP 1 37.297 1.723 12.709 4 HA TRP 1 HA TRP 1 38.548 0.679 10.257 5 HB2 TRP 1 HB2 TRP 1 35.662 1.502 10.769 6 HB3 TRP 1 HB1 TRP 1 36.370 1.212 9.162 7 HD1 TRP 1 HD1 TRP 1 36.838 -1.263 8.450 8 HE1 TRP 1 HE1 TRP 1 36.163 -3.582 9.416 9 HE3 TRP 1 HE3 TRP 1 35.206 0.230 13.067 10 HZ2 TRP 1 HZ2 TRP 1 35.064 -4.614 11.869 11 HZ3 TRP 1 HZ3 TRP 1 34.350 -1.438 14.704 12 HH2 TRP 1 HH2 TRP 1 34.277 -3.856 14.111 13 H LEU 2 HN LEU 2 38.171 2.390 8.496 14 HA LEU 2 HA LEU 2 39.436 4.821 9.362 15 HB2 LEU 2 HB2 LEU 2 37.845 4.488 6.795 16 HB3 LEU 2 HB1 LEU 2 39.259 5.526 7.091 17 HG LEU 2 HG LEU 2 39.213 2.476 7.009 18 HD11 LEU 2 HD11 LEU 2 39.148 3.732 4.821 19 HD12 LEU 2 HD12 LEU 2 40.615 2.747 5.038 20 HD13 LEU 2 HD13 LEU 2 40.682 4.511 5.277 21 HD21 LEU 2 HD21 LEU 2 41.376 4.466 7.810 22 HD22 LEU 2 HD22 LEU 2 41.774 2.836 7.218 23 HD23 LEU 2 HD23 LEU 2 40.811 3.032 8.700 24 H ARG 3 HN ARG 3 36.300 3.748 9.753 25 HA ARG 3 HA ARG 3 34.402 4.780 10.557 26 HB2 ARG 3 HB2 ARG 3 35.885 7.428 10.618 27 HB3 ARG 3 HB1 ARG 3 34.496 6.912 11.597 28 HG2 ARG 3 HG2 ARG 3 36.054 5.019 12.475 29 HG3 ARG 3 HG1 ARG 3 37.385 5.976 11.782 30 HD2 ARG 3 HD2 ARG 3 37.099 6.570 14.139 31 HD3 ARG 3 HD1 ARG 3 36.613 7.948 13.123 32 HE ARG 3 HE ARG 3 34.237 6.595 13.516 33 HH11 ARG 3 HH11 ARG 3 33.911 5.626 15.845 34 HH12 ARG 3 HH12 ARG 3 34.115 6.829 17.075 35 HH21 ARG 3 HH21 ARG 3 35.729 9.074 14.983 36 HH22 ARG 3 HH22 ARG 3 35.144 8.781 16.587 37 H ARG 4 HN ARG 4 35.945 7.361 8.557 38 HA ARG 4 HA ARG 4 33.406 8.002 7.307 39 HB2 ARG 4 HB2 ARG 4 36.252 8.727 6.502 40 HB3 ARG 4 HB1 ARG 4 34.768 9.476 5.864 41 HG2 ARG 4 HG2 ARG 4 34.164 10.283 8.094 42 HG3 ARG 4 HG1 ARG 4 35.560 9.439 8.810 43 HD2 ARG 4 HD2 ARG 4 37.095 10.827 7.435 44 HD3 ARG 4 HD1 ARG 4 35.693 11.683 6.746 45 HE ARG 4 HE ARG 4 35.630 11.812 9.629 46 HH11 ARG 4 HH11 ARG 4 38.242 12.725 9.771 47 HH12 ARG 4 HH12 ARG 4 38.226 14.360 9.204 48 HH21 ARG 4 HH21 ARG 4 35.157 14.062 7.621 49 HH22 ARG 4 HH22 ARG 4 36.478 15.118 7.987 50 H ILE 5 HN ILE 5 35.613 5.472 6.884 51 HA ILE 5 HA ILE 5 35.854 3.862 5.239 52 HB ILE 5 HB ILE 5 33.226 4.822 4.032 53 HG12 ILE 5 HG12 ILE 5 33.693 3.138 6.536 54 HG13 ILE 5 HG11 ILE 5 32.870 4.711 6.445 55 HG21 ILE 5 HG21 ILE 5 32.995 2.545 3.331 56 HG22 ILE 5 HG22 ILE 5 34.290 1.993 4.421 57 HG23 ILE 5 HG23 ILE 5 34.688 2.967 2.985 58 HD11 ILE 5 HD1 ILE 5 31.099 3.127 6.506 59 HD12 ILE 5 HD2 ILE 5 31.929 2.028 5.381 60 HD13 ILE 5 HD3 ILE 5 31.239 3.558 4.785 61 H GLY 6 HN GLY 6 37.429 5.906 4.683 62 HA2 GLY 6 HA1 GLY 6 38.076 5.770 2.026 63 HA3 GLY 6 HA2 GLY 6 36.844 7.047 2.037 64 H LYS 7 HN LYS 7 37.640 7.895 4.793 65 HA LYS 7 HA LYS 7 39.035 9.513 5.692 66 HB2 LYS 7 HB2 LYS 7 40.653 7.546 5.487 67 HB3 LYS 7 HB1 LYS 7 41.247 8.304 3.990 68 HG2 LYS 7 HG2 LYS 7 41.567 10.451 5.418 69 HG3 LYS 7 HG1 LYS 7 41.357 9.392 6.831 70 HD2 LYS 7 HD2 LYS 7 43.430 8.977 4.630 71 HD3 LYS 7 HD1 LYS 7 43.762 9.707 6.217 72 HE2 LYS 7 HE2 LYS 7 42.794 7.547 7.240 73 HE3 LYS 7 HE1 LYS 7 42.910 6.854 5.605 74 HZ1 LYS 7 HZ1 LYS 7 45.026 6.435 6.059 75 HZ2 LYS 7 HZ2 LYS 7 44.966 7.300 7.520 76 HZ3 LYS 7 HZ3 LYS 7 45.325 8.105 6.068 77 H GLY 8 HN GLY 8 38.290 11.420 4.911 78 HA2 GLY 8 HA1 GLY 8 38.356 12.336 2.272 79 HA3 GLY 8 HA2 GLY 8 38.391 13.390 3.699 80 H VAL 9 HN VAL 9 39.863 12.907 0.876 81 HA VAL 9 HA VAL 9 42.664 12.903 1.668 82 HB VAL 9 HB VAL 9 42.880 13.839 -0.813 83 HG11 VAL 9 HG11 VAL 9 43.456 11.545 -0.226 84 HG12 VAL 9 HG12 VAL 9 42.458 11.520 -1.699 85 HG13 VAL 9 HG13 VAL 9 41.738 11.094 -0.129 86 HG21 VAL 9 HG21 VAL 9 40.951 13.587 -2.198 87 HG22 VAL 9 HG22 VAL 9 40.353 14.448 -0.761 88 HG23 VAL 9 HG23 VAL 9 40.053 12.705 -0.939 89 H LYS 10 HN LYS 10 41.828 15.424 -0.555 90 HA LYS 10 HA LYS 10 41.874 17.560 1.484 91 HB2 LYS 10 HB2 LYS 10 44.302 16.853 1.095 92 HB3 LYS 10 HB1 LYS 10 44.112 17.442 -0.574 93 HG2 LYS 10 HG2 LYS 10 43.418 19.677 0.343 94 HG3 LYS 10 HG1 LYS 10 43.753 19.070 1.983 95 HD2 LYS 10 HD2 LYS 10 46.093 18.746 1.469 96 HD3 LYS 10 HD1 LYS 10 45.815 19.070 -0.259 97 HE2 LYS 10 HE2 LYS 10 45.275 21.097 1.950 98 HE3 LYS 10 HE1 LYS 10 46.788 21.028 1.016 99 HZ1 LYS 10 HZ1 LYS 10 44.611 20.941 -0.763 100 HZ2 LYS 10 HZ2 LYS 10 45.803 22.143 -0.607 101 HZ3 LYS 10 HZ3 LYS 10 44.370 22.240 0.301 102 H ILE 11 HN ILE 11 41.531 16.337 -1.756 103 HA ILE 11 HA ILE 11 40.378 18.987 -2.646 104 HB ILE 11 HB ILE 11 41.388 16.765 -4.461 105 HG12 ILE 11 HG12 ILE 11 42.878 19.201 -3.378 106 HG13 ILE 11 HG11 ILE 11 43.272 17.496 -3.063 107 HG21 ILE 11 HG21 ILE 11 41.111 19.753 -4.988 108 HG22 ILE 11 HG22 ILE 11 39.777 18.609 -5.271 109 HG23 ILE 11 HG23 ILE 11 41.298 18.439 -6.174 110 HD11 ILE 11 HD1 ILE 11 43.468 17.267 -5.651 111 HD12 ILE 11 HD2 ILE 11 44.771 18.124 -4.794 112 HD13 ILE 11 HD3 ILE 11 43.523 19.047 -5.662 113 H ILE 12 HN ILE 12 40.137 15.428 -3.131 114 HA ILE 12 HA ILE 12 37.354 15.730 -4.087 115 HB ILE 12 HB ILE 12 38.992 13.243 -3.485 116 HG12 ILE 12 HG12 ILE 12 40.190 14.510 -5.148 117 HG13 ILE 12 HG11 ILE 12 39.369 13.189 -5.999 118 HG21 ILE 12 HG21 ILE 12 36.789 12.454 -3.653 119 HG22 ILE 12 HG22 ILE 12 37.283 12.365 -5.357 120 HG23 ILE 12 HG23 ILE 12 36.293 13.728 -4.787 121 HD11 ILE 12 HD1 ILE 12 38.931 15.069 -7.363 122 HD12 ILE 12 HD2 ILE 12 38.691 16.147 -5.971 123 HD13 ILE 12 HD3 ILE 12 37.452 14.941 -6.387 124 H GLY 13 HN GLY 13 38.099 12.934 -2.111 125 HA2 GLY 13 HA1 GLY 13 35.841 13.183 -0.445 126 HA3 GLY 13 HA2 GLY 13 37.318 12.292 -0.023 127 H GLY 14 HN GLY 14 38.567 15.016 -0.727 128 HA2 GLY 14 HA1 GLY 14 38.777 15.986 2.038 129 HA3 GLY 14 HA2 GLY 14 39.640 16.606 0.611 130 H ALA 15 HN ALA 15 37.649 17.268 -1.176 131 HA ALA 15 HA ALA 15 36.431 19.593 0.265 132 HB1 ALA 15 HB1 ALA 15 36.114 18.823 -2.655 133 HB2 ALA 15 HB2 ALA 15 37.475 19.793 -2.035 134 HB3 ALA 15 HB3 ALA 15 35.811 20.403 -1.900 135 H ALA 16 HN ALA 16 35.687 16.832 0.870 136 HA ALA 16 HA ALA 16 33.714 15.838 1.550 137 HB1 ALA 16 HB1 ALA 16 32.820 18.313 1.426 138 HB2 ALA 16 HB2 ALA 16 31.666 16.959 1.504 139 HB3 ALA 16 HB3 ALA 16 32.006 17.750 -0.053 140 H LEU 17 HN LEU 17 35.261 15.055 -0.749 141 HA LEU 17 HA LEU 17 35.032 13.718 -2.647 142 HB2 LEU 17 HB2 LEU 17 33.531 12.616 -0.650 143 HB3 LEU 17 HB1 LEU 17 32.261 12.832 -1.871 144 HG LEU 17 HG LEU 17 34.916 11.381 -2.318 145 HD11 LEU 17 HD11 LEU 17 32.070 10.344 -1.960 146 HD12 LEU 17 HD12 LEU 17 33.413 10.143 -0.810 147 HD13 LEU 17 HD13 LEU 17 33.478 9.350 -2.404 148 HD21 LEU 17 HD21 LEU 17 33.816 10.656 -4.441 149 HD22 LEU 17 HD22 LEU 17 34.045 12.419 -4.375 150 HD23 LEU 17 HD23 LEU 17 32.437 11.716 -4.069 151 H ASP 18 HN ASP 18 34.216 16.451 -2.932 152 HA ASP 18 HA ASP 18 33.061 17.817 -4.411 153 HB2 ASP 18 HB2 ASP 18 33.017 15.208 -5.975 154 HB3 ASP 18 HB1 ASP 18 32.541 16.785 -6.648 155 H HIS 19 HN HIS 19 31.278 14.911 -5.396 156 HA HIS 19 HA HIS 19 28.739 16.034 -5.423 157 HB2 HIS 19 HB2 HIS 19 29.480 13.202 -4.587 158 HB3 HIS 19 HB1 HIS 19 27.863 13.736 -5.109 159 HD1 HIS 19 HD1 HIS 19 31.479 13.747 -6.433 160 HD2 HIS 19 HD2 HIS 19 27.522 13.648 -7.855 161 HE1 HIS 19 HE1 HIS 19 31.587 13.418 -8.964 162 H LEU 20 HN LEU 20 29.942 14.003 -2.701 163 HA LEU 20 HA LEU 20 27.805 14.935 -0.957 164 HB2 LEU 20 HB2 LEU 20 30.326 13.286 -0.564 165 HB3 LEU 20 HB1 LEU 20 29.320 13.773 0.820 166 HG LEU 20 HG LEU 20 27.349 12.698 -0.229 167 HD11 LEU 20 HD11 LEU 20 27.751 12.856 -2.572 168 HD12 LEU 20 HD12 LEU 20 27.901 11.121 -2.218 169 HD13 LEU 20 HD13 LEU 20 29.362 12.114 -2.434 170 HD21 LEU 20 HD21 LEU 20 28.782 11.392 1.303 171 HD22 LEU 20 HD22 LEU 20 29.817 10.908 -0.062 172 HD23 LEU 20 HD23 LEU 20 28.128 10.347 0.019 Start of MODEL 10 1 H1 TRP 1 HT1 TRP 1 41.298 7.561 6.633 2 H2 TRP 1 HT2 TRP 1 39.734 7.158 7.161 3 H3 TRP 1 HT3 TRP 1 40.567 6.130 6.095 4 HA TRP 1 HA TRP 1 40.424 5.712 8.674 5 HB2 TRP 1 HB2 TRP 1 42.817 5.188 6.864 6 HB3 TRP 1 HB1 TRP 1 42.489 4.350 8.401 7 HD1 TRP 1 HD1 TRP 1 41.531 4.410 4.767 8 HE1 TRP 1 HE1 TRP 1 39.779 2.558 4.253 9 HE3 TRP 1 HE3 TRP 1 40.387 3.028 9.563 10 HZ2 TRP 1 HZ2 TRP 1 38.122 0.739 5.748 11 HZ3 TRP 1 HZ3 TRP 1 38.719 1.231 9.995 12 HH2 TRP 1 HH2 TRP 1 37.586 0.086 8.094 13 H LEU 2 HN LEU 2 42.677 5.414 10.033 14 HA LEU 2 HA LEU 2 43.967 6.583 11.563 15 HB2 LEU 2 HB2 LEU 2 44.696 7.857 8.925 16 HB3 LEU 2 HB1 LEU 2 45.465 8.404 10.429 17 HG LEU 2 HG LEU 2 46.743 6.614 9.152 18 HD11 LEU 2 HD11 LEU 2 46.787 7.031 11.761 19 HD12 LEU 2 HD12 LEU 2 47.556 5.577 11.093 20 HD13 LEU 2 HD13 LEU 2 45.956 5.461 11.849 21 HD21 LEU 2 HD21 LEU 2 44.541 4.749 10.141 22 HD22 LEU 2 HD22 LEU 2 45.938 4.342 9.117 23 HD23 LEU 2 HD23 LEU 2 44.635 5.369 8.476 24 H ARG 3 HN ARG 3 43.622 9.446 9.582 25 HA ARG 3 HA ARG 3 41.414 10.597 11.031 26 HB2 ARG 3 HB2 ARG 3 43.365 10.566 12.765 27 HB3 ARG 3 HB1 ARG 3 44.099 11.829 11.754 28 HG2 ARG 3 HG2 ARG 3 42.878 13.156 13.249 29 HG3 ARG 3 HG1 ARG 3 41.674 12.958 11.957 30 HD2 ARG 3 HD2 ARG 3 40.460 12.454 13.928 31 HD3 ARG 3 HD1 ARG 3 40.905 10.845 13.312 32 HE ARG 3 HE ARG 3 42.993 11.599 15.033 33 HH11 ARG 3 HH11 ARG 3 42.523 9.515 16.385 34 HH12 ARG 3 HH12 ARG 3 41.229 9.747 17.513 35 HH21 ARG 3 HH21 ARG 3 40.046 12.619 15.970 36 HH22 ARG 3 HH22 ARG 3 39.826 11.505 17.279 37 H ARG 4 HN ARG 4 43.887 10.446 8.765 38 HA ARG 4 HA ARG 4 42.645 12.467 7.095 39 HB2 ARG 4 HB2 ARG 4 44.622 13.950 6.910 40 HB3 ARG 4 HB1 ARG 4 43.938 13.971 8.554 41 HG2 ARG 4 HG2 ARG 4 45.637 12.182 9.177 42 HG3 ARG 4 HG1 ARG 4 46.399 12.456 7.591 43 HD2 ARG 4 HD2 ARG 4 46.047 14.471 9.847 44 HD3 ARG 4 HD1 ARG 4 47.573 13.832 9.193 45 HE ARG 4 HE ARG 4 46.198 15.055 7.040 46 HH11 ARG 4 HH11 ARG 4 45.556 16.924 9.394 47 HH12 ARG 4 HH12 ARG 4 46.840 18.077 9.249 48 HH21 ARG 4 HH21 ARG 4 48.743 16.087 7.140 49 HH22 ARG 4 HH22 ARG 4 48.644 17.603 7.972 50 H ILE 5 HN ILE 5 44.512 9.737 7.716 51 HA ILE 5 HA ILE 5 45.677 9.743 4.923 52 HB ILE 5 HB ILE 5 46.368 7.821 7.180 53 HG12 ILE 5 HG12 ILE 5 47.666 10.483 6.436 54 HG13 ILE 5 HG11 ILE 5 46.842 10.102 7.965 55 HG21 ILE 5 HG21 ILE 5 48.023 8.709 4.784 56 HG22 ILE 5 HG22 ILE 5 46.904 7.327 4.708 57 HG23 ILE 5 HG23 ILE 5 48.278 7.296 5.836 58 HD11 ILE 5 HD1 ILE 5 49.479 9.019 6.918 59 HD12 ILE 5 HD2 ILE 5 48.569 8.165 8.189 60 HD13 ILE 5 HD3 ILE 5 49.146 9.826 8.467 61 H GLY 6 HN GLY 6 43.189 9.384 4.536 62 HA2 GLY 6 HA1 GLY 6 42.801 6.912 3.382 63 HA3 GLY 6 HA2 GLY 6 42.253 6.663 5.052 64 H LYS 7 HN LYS 7 41.824 9.878 4.335 65 HA LYS 7 HA LYS 7 39.342 9.689 2.810 66 HB2 LYS 7 HB2 LYS 7 37.918 10.572 4.724 67 HB3 LYS 7 HB1 LYS 7 38.393 8.863 4.857 68 HG2 LYS 7 HG2 LYS 7 40.212 9.440 6.390 69 HG3 LYS 7 HG1 LYS 7 39.867 11.175 6.189 70 HD2 LYS 7 HD2 LYS 7 37.599 10.832 7.139 71 HD3 LYS 7 HD1 LYS 7 37.958 9.101 7.358 72 HE2 LYS 7 HE2 LYS 7 39.612 11.342 8.594 73 HE3 LYS 7 HE1 LYS 7 38.292 10.502 9.442 74 HZ1 LYS 7 HZ1 LYS 7 39.880 8.523 8.343 75 HZ2 LYS 7 HZ2 LYS 7 39.767 8.956 9.982 76 HZ3 LYS 7 HZ3 LYS 7 40.967 9.648 8.999 77 H GLY 8 HN GLY 8 41.620 11.436 4.845 78 HA2 GLY 8 HA1 GLY 8 40.561 14.074 4.158 79 HA3 GLY 8 HA2 GLY 8 42.082 13.716 5.002 80 H VAL 9 HN VAL 9 40.707 13.002 1.757 81 HA VAL 9 HA VAL 9 43.265 13.181 0.455 82 HB VAL 9 HB VAL 9 40.527 13.611 -0.814 83 HG11 VAL 9 HG11 VAL 9 42.370 14.167 -2.305 84 HG12 VAL 9 HG12 VAL 9 41.721 12.582 -2.790 85 HG13 VAL 9 HG13 VAL 9 43.236 12.677 -1.861 86 HG21 VAL 9 HG21 VAL 9 42.065 11.030 -0.272 87 HG22 VAL 9 HG22 VAL 9 40.552 11.159 -1.201 88 HG23 VAL 9 HG23 VAL 9 40.564 11.535 0.540 89 H LYS 10 HN LYS 10 40.972 15.543 1.519 90 HA LYS 10 HA LYS 10 41.103 17.852 1.540 91 HB2 LYS 10 HB2 LYS 10 43.661 17.329 1.643 92 HB3 LYS 10 HB1 LYS 10 43.673 17.786 -0.075 93 HG2 LYS 10 HG2 LYS 10 42.425 19.940 0.686 94 HG3 LYS 10 HG1 LYS 10 42.940 19.494 2.330 95 HD2 LYS 10 HD2 LYS 10 45.305 19.430 1.560 96 HD3 LYS 10 HD1 LYS 10 44.775 19.916 -0.069 97 HE2 LYS 10 HE2 LYS 10 44.313 21.534 2.476 98 HE3 LYS 10 HE1 LYS 10 45.583 21.861 1.271 99 HZ1 LYS 10 HZ1 LYS 10 42.645 22.068 0.965 100 HZ2 LYS 10 HZ2 LYS 10 43.660 21.914 -0.388 101 HZ3 LYS 10 HZ3 LYS 10 43.830 23.242 0.659 102 H ILE 11 HN ILE 11 41.361 15.997 -1.364 103 HA ILE 11 HA ILE 11 40.361 18.330 -3.004 104 HB ILE 11 HB ILE 11 41.525 15.723 -4.041 105 HG12 ILE 11 HG12 ILE 11 42.937 18.359 -3.417 106 HG13 ILE 11 HG11 ILE 11 43.229 16.791 -2.631 107 HG21 ILE 11 HG21 ILE 11 40.105 17.298 -5.515 108 HG22 ILE 11 HG22 ILE 11 41.730 16.907 -6.120 109 HG23 ILE 11 HG23 ILE 11 41.424 18.480 -5.343 110 HD11 ILE 11 HD1 ILE 11 43.884 17.633 -5.473 111 HD12 ILE 11 HD2 ILE 11 43.761 15.914 -5.027 112 HD13 ILE 11 HD3 ILE 11 44.968 16.956 -4.237 113 H ILE 12 HN ILE 12 40.026 14.788 -2.522 114 HA ILE 12 HA ILE 12 37.373 14.877 -3.894 115 HB ILE 12 HB ILE 12 38.985 12.539 -2.804 116 HG12 ILE 12 HG12 ILE 12 40.276 13.627 -4.542 117 HG13 ILE 12 HG11 ILE 12 39.596 12.134 -5.219 118 HG21 ILE 12 HG21 ILE 12 36.851 11.623 -3.042 119 HG22 ILE 12 HG22 ILE 12 37.431 11.395 -4.704 120 HG23 ILE 12 HG23 ILE 12 36.369 12.767 -4.313 121 HD11 ILE 12 HD1 ILE 12 38.794 15.010 -5.757 122 HD12 ILE 12 HD2 ILE 12 37.635 13.691 -6.037 123 HD13 ILE 12 HD3 ILE 12 39.176 13.720 -6.917 124 H GLY 13 HN GLY 13 37.906 12.388 -1.512 125 HA2 GLY 13 HA1 GLY 13 35.530 12.868 -0.083 126 HA3 GLY 13 HA2 GLY 13 36.959 12.043 0.580 127 H GLY 14 HN GLY 14 38.324 14.652 -0.350 128 HA2 GLY 14 HA1 GLY 14 38.219 15.986 2.277 129 HA3 GLY 14 HA2 GLY 14 39.281 16.378 0.909 130 H ALA 15 HN ALA 15 37.547 16.783 -1.200 131 HA ALA 15 HA ALA 15 36.288 19.344 -0.312 132 HB1 ALA 15 HB1 ALA 15 36.210 18.113 -3.085 133 HB2 ALA 15 HB2 ALA 15 37.602 19.050 -2.485 134 HB3 ALA 15 HB3 ALA 15 36.005 19.818 -2.626 135 H ALA 16 HN ALA 16 35.409 16.579 0.482 136 HA ALA 16 HA ALA 16 33.328 15.765 1.116 137 HB1 ALA 16 HB1 ALA 16 31.838 17.486 -0.872 138 HB2 ALA 16 HB2 ALA 16 32.534 18.233 0.584 139 HB3 ALA 16 HB3 ALA 16 31.340 16.925 0.741 140 H LEU 17 HN LEU 17 35.045 14.596 -0.771 141 HA LEU 17 HA LEU 17 34.979 12.913 -2.375 142 HB2 LEU 17 HB2 LEU 17 32.985 12.266 -0.784 143 HB3 LEU 17 HB1 LEU 17 31.958 12.810 -2.126 144 HG LEU 17 HG LEU 17 33.548 11.219 -3.584 145 HD11 LEU 17 HD11 LEU 17 33.763 10.028 -0.780 146 HD12 LEU 17 HD12 LEU 17 35.110 10.659 -1.753 147 HD13 LEU 17 HD13 LEU 17 34.236 9.206 -2.284 148 HD21 LEU 17 HD21 LEU 17 31.349 10.248 -1.706 149 HD22 LEU 17 HD22 LEU 17 31.991 9.295 -3.066 150 HD23 LEU 17 HD23 LEU 17 31.156 10.837 -3.373 151 H ASP 18 HN ASP 18 33.891 15.916 -2.834 152 HA ASP 18 HA ASP 18 33.274 17.162 -4.692 153 HB2 ASP 18 HB2 ASP 18 35.414 16.101 -5.500 154 HB3 ASP 18 HB1 ASP 18 34.431 14.834 -6.272 155 H HIS 19 HN HIS 19 31.254 15.471 -3.586 156 HA HIS 19 HA HIS 19 29.187 14.551 -4.120 157 HB2 HIS 19 HB2 HIS 19 29.492 16.326 -6.575 158 HB3 HIS 19 HB1 HIS 19 27.967 15.678 -5.925 159 HD1 HIS 19 HD1 HIS 19 29.422 18.782 -6.061 160 HD2 HIS 19 HD2 HIS 19 28.275 16.426 -2.769 161 HE1 HIS 19 HE1 HIS 19 29.108 20.355 -4.071 162 H LEU 20 HN LEU 20 30.991 12.694 -4.609 163 HA LEU 20 HA LEU 20 31.479 10.827 -5.887 164 HB2 LEU 20 HB2 LEU 20 29.138 10.318 -5.600 165 HB3 LEU 20 HB1 LEU 20 28.670 11.470 -6.869 166 HG LEU 20 HG LEU 20 29.653 10.083 -8.599 167 HD11 LEU 20 HD11 LEU 20 30.807 8.532 -6.248 168 HD12 LEU 20 HD12 LEU 20 31.669 9.256 -7.628 169 HD13 LEU 20 HD13 LEU 20 30.667 7.808 -7.869 170 HD21 LEU 20 HD21 LEU 20 28.292 8.063 -8.384 171 HD22 LEU 20 HD22 LEU 20 27.398 9.441 -7.700 172 HD23 LEU 20 HD23 LEU 20 28.198 8.275 -6.619 Start of MODEL 11 1 H1 TRP 1 HT1 TRP 1 44.642 9.981 -14.301 2 H2 TRP 1 HT2 TRP 1 44.868 11.576 -13.761 3 H3 TRP 1 HT3 TRP 1 43.443 10.736 -13.370 4 HA TRP 1 HA TRP 1 45.041 10.915 -11.535 5 HB2 TRP 1 HB2 TRP 1 44.854 8.520 -10.913 6 HB3 TRP 1 HB1 TRP 1 43.329 9.155 -11.576 7 HD1 TRP 1 HD1 TRP 1 42.797 8.541 -14.176 8 HE1 TRP 1 HE1 TRP 1 43.409 6.445 -15.588 9 HE3 TRP 1 HE3 TRP 1 46.592 6.695 -11.275 10 HZ2 TRP 1 HZ2 TRP 1 45.301 4.277 -15.448 11 HZ3 TRP 1 HZ3 TRP 1 47.787 4.612 -11.936 12 HH2 TRP 1 HH2 TRP 1 47.145 3.402 -14.016 13 H LEU 2 HN LEU 2 47.136 11.215 -11.207 14 HA LEU 2 HA LEU 2 49.120 10.222 -13.086 15 HB2 LEU 2 HB2 LEU 2 49.249 11.655 -10.412 16 HB3 LEU 2 HB1 LEU 2 50.722 11.104 -11.244 17 HG LEU 2 HG LEU 2 50.167 12.442 -13.215 18 HD11 LEU 2 HD11 LEU 2 48.150 14.067 -12.956 19 HD12 LEU 2 HD12 LEU 2 47.585 12.954 -11.687 20 HD13 LEU 2 HD13 LEU 2 47.795 12.372 -13.358 21 HD21 LEU 2 HD21 LEU 2 51.375 13.541 -11.347 22 HD22 LEU 2 HD22 LEU 2 49.822 14.030 -10.628 23 HD23 LEU 2 HD23 LEU 2 50.327 14.700 -12.199 24 H ARG 3 HN ARG 3 49.203 9.813 -9.550 25 HA ARG 3 HA ARG 3 49.428 6.855 -9.852 26 HB2 ARG 3 HB2 ARG 3 51.760 7.749 -10.041 27 HB3 ARG 3 HB1 ARG 3 51.555 8.539 -8.460 28 HG2 ARG 3 HG2 ARG 3 51.307 6.429 -7.332 29 HG3 ARG 3 HG1 ARG 3 51.147 5.550 -8.871 30 HD2 ARG 3 HD2 ARG 3 53.484 6.214 -9.458 31 HD3 ARG 3 HD1 ARG 3 53.634 7.006 -7.872 32 HE ARG 3 HE ARG 3 54.021 4.232 -8.313 33 HH11 ARG 3 HH11 ARG 3 52.208 2.921 -7.069 34 HH12 ARG 3 HH12 ARG 3 52.165 3.342 -5.390 35 HH21 ARG 3 HH21 ARG 3 53.975 6.269 -5.803 36 HH22 ARG 3 HH22 ARG 3 53.164 5.237 -4.672 37 H ARG 4 HN ARG 4 48.554 9.718 -8.257 38 HA ARG 4 HA ARG 4 47.157 8.201 -6.164 39 HB2 ARG 4 HB2 ARG 4 48.180 9.625 -4.323 40 HB3 ARG 4 HB1 ARG 4 49.264 8.393 -5.014 41 HG2 ARG 4 HG2 ARG 4 50.374 10.046 -6.400 42 HG3 ARG 4 HG1 ARG 4 49.189 11.295 -5.945 43 HD2 ARG 4 HD2 ARG 4 51.406 11.413 -4.696 44 HD3 ARG 4 HD1 ARG 4 49.962 11.314 -3.660 45 HE ARG 4 HE ARG 4 51.107 8.693 -4.264 46 HH11 ARG 4 HH11 ARG 4 53.176 10.680 -3.026 47 HH12 ARG 4 HH12 ARG 4 53.055 10.229 -1.358 48 HH21 ARG 4 HH21 ARG 4 50.108 8.451 -1.778 49 HH22 ARG 4 HH22 ARG 4 51.318 8.967 -0.652 50 H ILE 5 HN ILE 5 47.226 10.462 -8.463 51 HA ILE 5 HA ILE 5 45.934 12.326 -8.936 52 HB ILE 5 HB ILE 5 44.141 11.555 -6.596 53 HG12 ILE 5 HG12 ILE 5 44.308 10.282 -9.366 54 HG13 ILE 5 HG11 ILE 5 44.668 9.485 -7.818 55 HG21 ILE 5 HG21 ILE 5 43.786 13.665 -8.054 56 HG22 ILE 5 HG22 ILE 5 42.406 12.555 -7.896 57 HG23 ILE 5 HG23 ILE 5 43.394 12.544 -9.378 58 HD11 ILE 5 HD1 ILE 5 42.444 8.813 -8.324 59 HD12 ILE 5 HD2 ILE 5 41.985 10.442 -8.872 60 HD13 ILE 5 HD3 ILE 5 42.243 10.124 -7.138 61 H GLY 6 HN GLY 6 48.134 13.002 -7.565 62 HA2 GLY 6 HA1 GLY 6 49.043 14.530 -6.068 63 HA3 GLY 6 HA2 GLY 6 47.651 15.523 -6.540 64 H LYS 7 HN LYS 7 47.835 12.482 -4.657 65 HA LYS 7 HA LYS 7 46.968 11.984 -2.563 66 HB2 LYS 7 HB2 LYS 7 48.854 13.410 -1.851 67 HB3 LYS 7 HB1 LYS 7 47.817 14.850 -1.986 68 HG2 LYS 7 HG2 LYS 7 46.390 14.117 -0.205 69 HG3 LYS 7 HG1 LYS 7 47.089 12.481 -0.219 70 HD2 LYS 7 HD2 LYS 7 47.933 13.894 1.679 71 HD3 LYS 7 HD1 LYS 7 49.228 13.331 0.597 72 HE2 LYS 7 HE2 LYS 7 49.477 15.467 -0.410 73 HE3 LYS 7 HE1 LYS 7 47.896 16.031 0.181 74 HZ1 LYS 7 HZ1 LYS 7 49.743 15.196 2.250 75 HZ2 LYS 7 HZ2 LYS 7 48.746 16.568 2.167 76 HZ3 LYS 7 HZ3 LYS 7 50.248 16.555 1.371 77 H GLY 8 HN GLY 8 44.820 11.703 -3.166 78 HA2 GLY 8 HA1 GLY 8 42.951 13.809 -3.553 79 HA3 GLY 8 HA2 GLY 8 42.557 12.139 -3.107 80 H VAL 9 HN VAL 9 40.956 12.536 -1.663 81 HA VAL 9 HA VAL 9 40.010 13.106 0.368 82 HB VAL 9 HB VAL 9 42.883 13.314 1.363 83 HG11 VAL 9 HG11 VAL 9 40.202 12.837 2.734 84 HG12 VAL 9 HG12 VAL 9 41.271 14.245 2.940 85 HG13 VAL 9 HG13 VAL 9 41.781 12.646 3.531 86 HG21 VAL 9 HG21 VAL 9 40.985 10.944 1.085 87 HG22 VAL 9 HG22 VAL 9 42.473 10.914 2.062 88 HG23 VAL 9 HG23 VAL 9 42.568 11.149 0.300 89 H LYS 10 HN LYS 10 43.000 15.016 0.799 90 HA LYS 10 HA LYS 10 41.846 17.315 1.833 91 HB2 LYS 10 HB2 LYS 10 44.329 16.753 1.437 92 HB3 LYS 10 HB1 LYS 10 44.108 17.431 -0.193 93 HG2 LYS 10 HG2 LYS 10 43.116 19.516 1.047 94 HG3 LYS 10 HG1 LYS 10 43.874 18.830 2.500 95 HD2 LYS 10 HD2 LYS 10 45.346 19.427 -0.106 96 HD3 LYS 10 HD1 LYS 10 45.331 20.497 1.316 97 HE2 LYS 10 HE2 LYS 10 46.214 18.509 2.667 98 HE3 LYS 10 HE1 LYS 10 46.478 17.686 1.112 99 HZ1 LYS 10 HZ1 LYS 10 48.141 19.101 0.542 100 HZ2 LYS 10 HZ2 LYS 10 48.322 19.183 2.229 101 HZ3 LYS 10 HZ3 LYS 10 47.500 20.415 1.399 102 H ILE 11 HN ILE 11 41.544 16.077 -1.358 103 HA ILE 11 HA ILE 11 40.370 18.674 -2.352 104 HB ILE 11 HB ILE 11 41.197 16.266 -4.004 105 HG12 ILE 11 HG12 ILE 11 42.839 18.712 -3.199 106 HG13 ILE 11 HG11 ILE 11 43.183 17.016 -2.786 107 HG21 ILE 11 HG21 ILE 11 39.623 18.100 -4.909 108 HG22 ILE 11 HG22 ILE 11 41.092 17.789 -5.860 109 HG23 ILE 11 HG23 ILE 11 41.011 19.208 -4.787 110 HD11 ILE 11 HD1 ILE 11 43.234 16.604 -5.357 111 HD12 ILE 11 HD2 ILE 11 44.612 17.463 -4.629 112 HD13 ILE 11 HD3 ILE 11 43.354 18.375 -5.496 113 H ILE 12 HN ILE 12 39.999 15.125 -2.299 114 HA ILE 12 HA ILE 12 37.348 15.162 -3.490 115 HB ILE 12 HB ILE 12 38.792 13.085 -1.828 116 HG12 ILE 12 HG12 ILE 12 38.555 13.317 -4.872 117 HG13 ILE 12 HG11 ILE 12 39.962 13.873 -3.941 118 HG21 ILE 12 HG21 ILE 12 36.273 12.990 -3.547 119 HG22 ILE 12 HG22 ILE 12 36.497 12.409 -1.882 120 HG23 ILE 12 HG23 ILE 12 37.214 11.518 -3.233 121 HD11 ILE 12 HD1 ILE 12 40.699 11.735 -4.514 122 HD12 ILE 12 HD2 ILE 12 39.062 11.053 -4.541 123 HD13 ILE 12 HD3 ILE 12 39.876 11.348 -2.986 124 H GLY 13 HN GLY 13 37.858 13.392 -0.474 125 HA2 GLY 13 HA1 GLY 13 35.380 14.173 0.675 126 HA3 GLY 13 HA2 GLY 13 36.778 13.528 1.566 127 H GLY 14 HN GLY 14 38.139 15.811 -0.068 128 HA2 GLY 14 HA1 GLY 14 38.107 17.753 2.172 129 HA3 GLY 14 HA2 GLY 14 39.099 17.821 0.704 130 H ALA 15 HN ALA 15 37.212 17.647 -1.316 131 HA ALA 15 HA ALA 15 35.959 20.347 -1.062 132 HB1 ALA 15 HB1 ALA 15 35.396 20.054 -3.429 133 HB2 ALA 15 HB2 ALA 15 35.961 18.368 -3.378 134 HB3 ALA 15 HB3 ALA 15 37.120 19.705 -3.165 135 H ALA 16 HN ALA 16 35.158 18.123 0.616 136 HA ALA 16 HA ALA 16 33.175 17.357 1.498 137 HB1 ALA 16 HB1 ALA 16 32.296 19.607 0.483 138 HB2 ALA 16 HB2 ALA 16 31.125 18.344 0.934 139 HB3 ALA 16 HB3 ALA 16 31.580 18.570 -0.772 140 H LEU 17 HN LEU 17 34.840 15.837 -0.302 141 HA LEU 17 HA LEU 17 34.684 13.877 -1.554 142 HB2 LEU 17 HB2 LEU 17 32.991 13.554 0.520 143 HB3 LEU 17 HB1 LEU 17 31.789 13.475 -0.782 144 HG LEU 17 HG LEU 17 34.314 11.752 -0.653 145 HD11 LEU 17 HD11 LEU 17 32.763 9.927 -0.024 146 HD12 LEU 17 HD12 LEU 17 31.413 11.086 0.016 147 HD13 LEU 17 HD13 LEU 17 32.745 11.230 1.187 148 HD21 LEU 17 HD21 LEU 17 33.510 12.043 -2.940 149 HD22 LEU 17 HD22 LEU 17 31.832 11.730 -2.430 150 HD23 LEU 17 HD23 LEU 17 33.036 10.422 -2.381 151 H ASP 18 HN ASP 18 34.427 16.078 -3.064 152 HA ASP 18 HA ASP 18 33.624 16.857 -5.091 153 HB2 ASP 18 HB2 ASP 18 32.754 13.951 -5.363 154 HB3 ASP 18 HB1 ASP 18 32.800 15.135 -6.691 155 H HIS 19 HN HIS 19 31.084 14.389 -4.732 156 HA HIS 19 HA HIS 19 29.109 16.304 -3.750 157 HB2 HIS 19 HB2 HIS 19 27.676 16.252 -5.780 158 HB3 HIS 19 HB1 HIS 19 29.225 17.078 -6.073 159 HD1 HIS 19 HD1 HIS 19 30.519 13.913 -5.976 160 HD2 HIS 19 HD2 HIS 19 27.866 15.708 -8.703 161 HE1 HIS 19 HE1 HIS 19 30.648 12.582 -8.153 162 H LEU 20 HN LEU 20 29.852 13.972 -2.630 163 HA LEU 20 HA LEU 20 29.077 11.891 -1.953 164 HB2 LEU 20 HB2 LEU 20 26.322 12.774 -2.871 165 HB3 LEU 20 HB1 LEU 20 26.766 11.782 -1.461 166 HG LEU 20 HG LEU 20 27.331 14.756 -1.846 167 HD11 LEU 20 HD11 LEU 20 24.993 14.198 -1.253 168 HD12 LEU 20 HD12 LEU 20 25.824 14.986 0.111 169 HD13 LEU 20 HD13 LEU 20 25.570 13.223 0.119 170 HD21 LEU 20 HD21 LEU 20 28.126 14.525 0.594 171 HD22 LEU 20 HD22 LEU 20 29.209 13.854 -0.648 172 HD23 LEU 20 HD23 LEU 20 28.171 12.768 0.307 Start of MODEL 12 1 H1 TRP 1 HT1 TRP 1 51.090 3.445 4.185 2 H2 TRP 1 HT2 TRP 1 50.811 5.055 4.653 3 H3 TRP 1 HT3 TRP 1 50.506 4.565 3.054 4 HA TRP 1 HA TRP 1 49.107 2.965 4.922 5 HB2 TRP 1 HB2 TRP 1 48.392 5.918 4.836 6 HB3 TRP 1 HB1 TRP 1 47.591 4.637 5.776 7 HD1 TRP 1 HD1 TRP 1 49.523 3.249 7.428 8 HE1 TRP 1 HE1 TRP 1 51.213 4.344 9.073 9 HE3 TRP 1 HE3 TRP 1 49.664 7.957 5.422 10 HZ2 TRP 1 HZ2 TRP 1 52.442 6.923 9.439 11 HZ3 TRP 1 HZ3 TRP 1 51.102 9.719 6.435 12 HH2 TRP 1 HH2 TRP 1 52.490 9.207 8.440 13 H LEU 2 HN LEU 2 46.761 2.951 4.271 14 HA LEU 2 HA LEU 2 46.629 2.758 1.372 15 HB2 LEU 2 HB2 LEU 2 44.238 2.717 3.243 16 HB3 LEU 2 HB1 LEU 2 44.464 1.853 1.703 17 HG LEU 2 HG LEU 2 45.934 1.325 4.324 18 HD11 LEU 2 HD11 LEU 2 44.775 -0.841 4.224 19 HD12 LEU 2 HD12 LEU 2 44.015 -0.385 2.680 20 HD13 LEU 2 HD13 LEU 2 43.588 0.483 4.174 21 HD21 LEU 2 HD21 LEU 2 46.847 -0.664 2.959 22 HD22 LEU 2 HD22 LEU 2 47.526 0.933 2.570 23 HD23 LEU 2 HD23 LEU 2 46.292 0.208 1.511 24 H ARG 3 HN ARG 3 46.396 5.326 3.520 25 HA ARG 3 HA ARG 3 45.878 7.547 3.164 26 HB2 ARG 3 HB2 ARG 3 46.572 6.919 0.705 27 HB3 ARG 3 HB1 ARG 3 44.828 6.958 0.379 28 HG2 ARG 3 HG2 ARG 3 45.399 9.182 -0.083 29 HG3 ARG 3 HG1 ARG 3 44.936 9.311 1.628 30 HD2 ARG 3 HD2 ARG 3 47.303 9.188 2.305 31 HD3 ARG 3 HD1 ARG 3 47.795 8.935 0.615 32 HE ARG 3 HE ARG 3 47.107 11.488 1.828 33 HH11 ARG 3 HH11 ARG 3 49.102 11.438 -0.272 34 HH12 ARG 3 HH12 ARG 3 48.249 11.993 -1.674 35 HH21 ARG 3 HH21 ARG 3 45.110 11.417 -0.318 36 HH22 ARG 3 HH22 ARG 3 45.989 11.981 -1.700 37 H ARG 4 HN ARG 4 43.421 5.705 1.278 38 HA ARG 4 HA ARG 4 41.219 7.304 2.038 39 HB2 ARG 4 HB2 ARG 4 41.487 4.392 1.223 40 HB3 ARG 4 HB1 ARG 4 39.900 5.079 1.640 41 HG2 ARG 4 HG2 ARG 4 40.339 5.199 -0.806 42 HG3 ARG 4 HG1 ARG 4 40.174 6.817 -0.088 43 HD2 ARG 4 HD2 ARG 4 42.526 7.207 -0.156 44 HD3 ARG 4 HD1 ARG 4 42.885 5.486 -0.445 45 HE ARG 4 HE ARG 4 41.304 6.308 -2.615 46 HH11 ARG 4 HH11 ARG 4 43.710 8.192 -1.215 47 HH12 ARG 4 HH12 ARG 4 44.699 8.293 -2.633 48 HH21 ARG 4 HH21 ARG 4 42.826 5.991 -4.426 49 HH22 ARG 4 HH22 ARG 4 44.199 7.047 -4.451 50 H ILE 5 HN ILE 5 42.997 4.864 3.816 51 HA ILE 5 HA ILE 5 41.080 4.113 5.748 52 HB ILE 5 HB ILE 5 43.391 3.154 5.574 53 HG12 ILE 5 HG12 ILE 5 42.743 4.316 8.326 54 HG13 ILE 5 HG11 ILE 5 41.952 2.887 7.623 55 HG21 ILE 5 HG21 ILE 5 44.294 5.628 7.103 56 HG22 ILE 5 HG22 ILE 5 44.465 5.477 5.338 57 HG23 ILE 5 HG23 ILE 5 45.301 4.333 6.413 58 HD11 ILE 5 HD1 ILE 5 43.682 2.003 8.998 59 HD12 ILE 5 HD2 ILE 5 44.857 3.219 8.449 60 HD13 ILE 5 HD3 ILE 5 44.342 1.917 7.348 61 H GLY 6 HN GLY 6 43.052 7.050 5.468 62 HA2 GLY 6 HA1 GLY 6 42.269 8.078 8.077 63 HA3 GLY 6 HA2 GLY 6 43.093 8.969 6.782 64 H LYS 7 HN LYS 7 40.879 8.026 4.901 65 HA LYS 7 HA LYS 7 38.909 8.913 4.078 66 HB2 LYS 7 HB2 LYS 7 38.092 7.927 6.305 67 HB3 LYS 7 HB1 LYS 7 38.154 9.585 6.946 68 HG2 LYS 7 HG2 LYS 7 36.616 10.346 5.171 69 HG3 LYS 7 HG1 LYS 7 36.571 8.700 4.491 70 HD2 LYS 7 HD2 LYS 7 35.702 7.874 6.707 71 HD3 LYS 7 HD1 LYS 7 35.603 9.567 7.250 72 HE2 LYS 7 HE2 LYS 7 34.126 8.312 4.895 73 HE3 LYS 7 HE1 LYS 7 33.413 8.891 6.420 74 HZ1 LYS 7 HZ1 LYS 7 34.656 11.085 5.678 75 HZ2 LYS 7 HZ2 LYS 7 33.090 10.714 5.132 76 HZ3 LYS 7 HZ3 LYS 7 34.432 10.415 4.136 77 H GLY 8 HN GLY 8 38.367 10.796 3.141 78 HA2 GLY 8 HA1 GLY 8 38.171 13.099 2.852 79 HA3 GLY 8 HA2 GLY 8 38.671 13.346 4.535 80 H VAL 9 HN VAL 9 39.684 13.064 1.197 81 HA VAL 9 HA VAL 9 42.534 13.145 1.763 82 HB VAL 9 HB VAL 9 41.024 13.882 -0.788 83 HG11 VAL 9 HG11 VAL 9 43.961 13.363 -0.161 84 HG12 VAL 9 HG12 VAL 9 43.247 14.825 -0.881 85 HG13 VAL 9 HG13 VAL 9 43.299 13.311 -1.813 86 HG21 VAL 9 HG21 VAL 9 42.377 11.300 0.112 87 HG22 VAL 9 HG22 VAL 9 41.660 11.587 -1.491 88 HG23 VAL 9 HG23 VAL 9 40.622 11.557 -0.045 89 H LYS 10 HN LYS 10 41.164 15.592 -0.383 90 HA LYS 10 HA LYS 10 41.329 17.797 1.464 91 HB2 LYS 10 HB2 LYS 10 43.788 17.152 1.236 92 HB3 LYS 10 HB1 LYS 10 43.666 17.622 -0.475 93 HG2 LYS 10 HG2 LYS 10 42.914 19.890 0.210 94 HG3 LYS 10 HG1 LYS 10 43.074 19.418 1.920 95 HD2 LYS 10 HD2 LYS 10 45.498 18.891 1.486 96 HD3 LYS 10 HD1 LYS 10 45.299 19.544 -0.159 97 HE2 LYS 10 HE2 LYS 10 44.610 21.727 0.779 98 HE3 LYS 10 HE1 LYS 10 44.783 21.079 2.428 99 HZ1 LYS 10 HZ1 LYS 10 46.788 22.163 1.998 100 HZ2 LYS 10 HZ2 LYS 10 46.893 21.580 0.407 101 HZ3 LYS 10 HZ3 LYS 10 47.153 20.531 1.717 102 H ILE 11 HN ILE 11 41.194 16.411 -1.721 103 HA ILE 11 HA ILE 11 39.865 18.924 -2.750 104 HB ILE 11 HB ILE 11 41.473 16.968 -4.435 105 HG12 ILE 11 HG12 ILE 11 42.347 19.610 -3.172 106 HG13 ILE 11 HG11 ILE 11 42.991 17.996 -2.792 107 HG21 ILE 11 HG21 ILE 11 39.676 18.515 -5.451 108 HG22 ILE 11 HG22 ILE 11 41.308 18.653 -6.140 109 HG23 ILE 11 HG23 ILE 11 40.725 19.874 -4.983 110 HD11 ILE 11 HD1 ILE 11 43.569 17.847 -5.329 111 HD12 ILE 11 HD2 ILE 11 44.575 18.902 -4.309 112 HD13 ILE 11 HD3 ILE 11 43.313 19.609 -5.343 113 H ILE 12 HN ILE 12 40.230 15.374 -3.065 114 HA ILE 12 HA ILE 12 37.641 15.213 -4.510 115 HB ILE 12 HB ILE 12 39.559 13.036 -3.590 116 HG12 ILE 12 HG12 ILE 12 39.263 14.337 -6.340 117 HG13 ILE 12 HG11 ILE 12 40.562 14.702 -5.184 118 HG21 ILE 12 HG21 ILE 12 38.380 11.662 -5.329 119 HG22 ILE 12 HG22 ILE 12 37.269 13.019 -5.618 120 HG23 ILE 12 HG23 ILE 12 37.277 12.192 -4.045 121 HD11 ILE 12 HD1 ILE 12 41.612 13.087 -6.515 122 HD12 ILE 12 HD2 ILE 12 40.106 12.193 -6.812 123 HD13 ILE 12 HD3 ILE 12 40.930 12.051 -5.240 124 H GLY 13 HN GLY 13 38.599 12.686 -2.249 125 HA2 GLY 13 HA1 GLY 13 36.061 12.645 -0.942 126 HA3 GLY 13 HA2 GLY 13 37.568 11.940 -0.308 127 H GLY 14 HN GLY 14 38.490 14.839 -1.034 128 HA2 GLY 14 HA1 GLY 14 38.288 15.884 1.715 129 HA3 GLY 14 HA2 GLY 14 39.224 16.567 0.368 130 H ALA 15 HN ALA 15 37.322 16.840 -1.650 131 HA ALA 15 HA ALA 15 35.725 19.091 -0.491 132 HB1 ALA 15 HB1 ALA 15 35.780 18.052 -3.348 133 HB2 ALA 15 HB2 ALA 15 36.897 19.286 -2.710 134 HB3 ALA 15 HB3 ALA 15 35.152 19.613 -2.775 135 H ALA 16 HN ALA 16 35.282 16.329 0.314 136 HA ALA 16 HA ALA 16 33.432 15.084 0.898 137 HB1 ALA 16 HB1 ALA 16 31.262 15.931 0.677 138 HB2 ALA 16 HB2 ALA 16 31.609 16.720 -0.880 139 HB3 ALA 16 HB3 ALA 16 32.242 17.414 0.631 140 H LEU 17 HN LEU 17 35.214 14.446 -1.271 141 HA LEU 17 HA LEU 17 35.279 13.043 -3.133 142 HB2 LEU 17 HB2 LEU 17 33.847 11.777 -1.217 143 HB3 LEU 17 HB1 LEU 17 32.585 11.858 -2.462 144 HG LEU 17 HG LEU 17 35.390 10.715 -2.897 145 HD11 LEU 17 HD11 LEU 17 33.946 9.403 -1.300 146 HD12 LEU 17 HD12 LEU 17 34.338 8.525 -2.799 147 HD13 LEU 17 HD13 LEU 17 32.729 9.260 -2.593 148 HD21 LEU 17 HD21 LEU 17 34.302 9.780 -4.967 149 HD22 LEU 17 HD22 LEU 17 34.394 11.556 -4.968 150 HD23 LEU 17 HD23 LEU 17 32.853 10.744 -4.596 151 H ASP 18 HN ASP 18 34.421 15.556 -3.768 152 HA ASP 18 HA ASP 18 33.216 16.764 -5.346 153 HB2 ASP 18 HB2 ASP 18 33.329 14.033 -6.681 154 HB3 ASP 18 HB1 ASP 18 32.790 15.519 -7.499 155 H HIS 19 HN HIS 19 31.613 16.063 -3.238 156 HA HIS 19 HA HIS 19 29.397 15.712 -2.634 157 HB2 HIS 19 HB2 HIS 19 28.923 16.682 -5.481 158 HB3 HIS 19 HB1 HIS 19 27.720 16.662 -4.169 159 HD1 HIS 19 HD1 HIS 19 27.721 18.581 -2.521 160 HD2 HIS 19 HD2 HIS 19 31.104 18.565 -5.019 161 HE1 HIS 19 HE1 HIS 19 29.010 20.742 -2.073 162 H LEU 20 HN LEU 20 30.673 13.367 -3.390 163 HA LEU 20 HA LEU 20 30.231 11.198 -4.097 164 HB2 LEU 20 HB2 LEU 20 27.452 12.269 -3.500 165 HB3 LEU 20 HB1 LEU 20 27.697 10.594 -4.050 166 HG LEU 20 HG LEU 20 29.192 10.152 -2.154 167 HD11 LEU 20 HD11 LEU 20 29.276 11.995 -0.327 168 HD12 LEU 20 HD12 LEU 20 28.766 13.116 -1.614 169 HD13 LEU 20 HD13 LEU 20 30.300 12.223 -1.763 170 HD21 LEU 20 HD21 LEU 20 27.532 10.243 -0.375 171 HD22 LEU 20 HD22 LEU 20 26.684 9.944 -1.912 172 HD23 LEU 20 HD23 LEU 20 26.670 11.570 -1.188 Start of MODEL 13 1 H1 TRP 1 HT1 TRP 1 37.017 4.832 11.206 2 H2 TRP 1 HT2 TRP 1 38.155 4.598 9.966 3 H3 TRP 1 HT3 TRP 1 36.891 3.484 10.187 4 HA TRP 1 HA TRP 1 36.457 4.877 8.310 5 HB2 TRP 1 HB2 TRP 1 34.659 5.640 10.639 6 HB3 TRP 1 HB1 TRP 1 34.220 5.523 8.918 7 HD1 TRP 1 HD1 TRP 1 33.901 3.115 7.886 8 HE1 TRP 1 HE1 TRP 1 33.556 0.756 8.924 9 HE3 TRP 1 HE3 TRP 1 35.327 4.134 12.696 10 HZ2 TRP 1 HZ2 TRP 1 33.868 -0.488 11.502 11 HZ3 TRP 1 HZ3 TRP 1 35.295 2.345 14.429 12 HH2 TRP 1 HH2 TRP 1 34.567 0.037 13.836 13 H LEU 2 HN LEU 2 38.536 6.274 8.587 14 HA LEU 2 HA LEU 2 39.427 8.407 8.449 15 HB2 LEU 2 HB2 LEU 2 36.607 9.502 8.599 16 HB3 LEU 2 HB1 LEU 2 38.028 10.223 7.817 17 HG LEU 2 HG LEU 2 36.503 7.733 6.938 18 HD11 LEU 2 HD11 LEU 2 37.048 10.427 5.617 19 HD12 LEU 2 HD12 LEU 2 35.498 9.900 6.313 20 HD13 LEU 2 HD13 LEU 2 36.156 9.077 4.879 21 HD21 LEU 2 HD21 LEU 2 38.801 7.204 6.523 22 HD22 LEU 2 HD22 LEU 2 39.183 8.874 6.045 23 HD23 LEU 2 HD23 LEU 2 38.195 7.845 4.979 24 H ARG 3 HN ARG 3 37.617 7.337 11.048 25 HA ARG 3 HA ARG 3 37.988 7.758 13.309 26 HB2 ARG 3 HB2 ARG 3 40.167 9.000 12.471 27 HB3 ARG 3 HB1 ARG 3 39.225 10.478 12.776 28 HG2 ARG 3 HG2 ARG 3 38.735 9.536 15.106 29 HG3 ARG 3 HG1 ARG 3 39.964 8.296 14.767 30 HD2 ARG 3 HD2 ARG 3 40.385 11.317 14.768 31 HD3 ARG 3 HD1 ARG 3 41.008 10.160 15.967 32 HE ARG 3 HE ARG 3 42.137 10.664 13.319 33 HH11 ARG 3 HH11 ARG 3 43.065 9.571 16.211 34 HH12 ARG 3 HH12 ARG 3 43.861 8.129 15.679 35 HH21 ARG 3 HH21 ARG 3 42.573 8.286 12.463 36 HH22 ARG 3 HH22 ARG 3 43.584 7.401 13.557 37 H ARG 4 HN ARG 4 37.624 11.075 11.970 38 HA ARG 4 HA ARG 4 35.242 11.450 13.711 39 HB2 ARG 4 HB2 ARG 4 36.768 13.344 11.879 40 HB3 ARG 4 HB1 ARG 4 35.396 13.808 12.916 41 HG2 ARG 4 HG2 ARG 4 36.690 12.913 14.898 42 HG3 ARG 4 HG1 ARG 4 38.086 12.693 13.815 43 HD2 ARG 4 HD2 ARG 4 38.242 14.854 15.002 44 HD3 ARG 4 HD1 ARG 4 38.026 15.112 13.255 45 HE ARG 4 HE ARG 4 35.438 15.136 14.299 46 HH11 ARG 4 HH11 ARG 4 37.766 16.352 16.266 47 HH12 ARG 4 HH12 ARG 4 37.294 18.015 16.152 48 HH21 ARG 4 HH21 ARG 4 35.087 17.482 13.532 49 HH22 ARG 4 HH22 ARG 4 35.777 18.655 14.602 50 H ILE 5 HN ILE 5 35.656 9.974 10.854 51 HA ILE 5 HA ILE 5 34.285 9.589 9.022 52 HB ILE 5 HB ILE 5 32.029 10.807 10.667 53 HG12 ILE 5 HG12 ILE 5 33.250 8.012 10.817 54 HG13 ILE 5 HG11 ILE 5 33.289 9.246 12.098 55 HG21 ILE 5 HG21 ILE 5 31.723 10.094 8.208 56 HG22 ILE 5 HG22 ILE 5 30.618 9.353 9.386 57 HG23 ILE 5 HG23 ILE 5 32.006 8.428 8.764 58 HD11 ILE 5 HD1 ILE 5 31.483 7.833 12.715 59 HD12 ILE 5 HD2 ILE 5 30.905 7.690 11.039 60 HD13 ILE 5 HD3 ILE 5 30.688 9.217 11.930 61 H GLY 6 HN GLY 6 35.644 11.474 8.155 62 HA2 GLY 6 HA1 GLY 6 34.120 13.048 6.446 63 HA3 GLY 6 HA2 GLY 6 34.312 14.047 7.899 64 H LYS 7 HN LYS 7 36.991 12.478 8.259 65 HA LYS 7 HA LYS 7 38.602 14.533 6.931 66 HB2 LYS 7 HB2 LYS 7 39.731 12.045 8.249 67 HB3 LYS 7 HB1 LYS 7 40.412 13.685 8.187 68 HG2 LYS 7 HG2 LYS 7 37.957 12.791 9.770 69 HG3 LYS 7 HG1 LYS 7 39.546 13.214 10.438 70 HD2 LYS 7 HD2 LYS 7 37.639 15.102 8.980 71 HD3 LYS 7 HD1 LYS 7 38.001 15.096 10.715 72 HE2 LYS 7 HE2 LYS 7 40.505 15.400 9.946 73 HE3 LYS 7 HE1 LYS 7 39.776 15.947 8.415 74 HZ1 LYS 7 HZ1 LYS 7 38.683 17.045 10.895 75 HZ2 LYS 7 HZ2 LYS 7 38.900 17.781 9.380 76 HZ3 LYS 7 HZ3 LYS 7 40.222 17.580 10.428 77 H GLY 8 HN GLY 8 38.116 14.179 4.715 78 HA2 GLY 8 HA1 GLY 8 38.802 11.601 3.492 79 HA3 GLY 8 HA2 GLY 8 38.297 13.083 2.658 80 H VAL 9 HN VAL 9 39.852 13.032 1.071 81 HA VAL 9 HA VAL 9 42.668 12.682 1.716 82 HB VAL 9 HB VAL 9 41.336 13.801 -0.793 83 HG11 VAL 9 HG11 VAL 9 43.635 14.527 -0.760 84 HG12 VAL 9 HG12 VAL 9 43.576 13.098 -1.817 85 HG13 VAL 9 HG13 VAL 9 44.190 12.950 -0.152 86 HG21 VAL 9 HG21 VAL 9 42.454 11.032 -0.165 87 HG22 VAL 9 HG22 VAL 9 41.690 11.542 -1.690 88 HG23 VAL 9 HG23 VAL 9 40.723 11.447 -0.198 89 H LYS 10 HN LYS 10 41.510 15.469 -0.161 90 HA LYS 10 HA LYS 10 42.041 17.431 1.874 91 HB2 LYS 10 HB2 LYS 10 44.376 16.745 1.597 92 HB3 LYS 10 HB1 LYS 10 44.252 16.942 -0.165 93 HG2 LYS 10 HG2 LYS 10 45.388 18.872 0.938 94 HG3 LYS 10 HG1 LYS 10 43.908 19.363 0.090 95 HD2 LYS 10 HD2 LYS 10 42.697 19.667 2.105 96 HD3 LYS 10 HD1 LYS 10 43.814 18.647 3.045 97 HE2 LYS 10 HE2 LYS 10 44.099 21.085 3.530 98 HE3 LYS 10 HE1 LYS 10 45.574 20.351 2.856 99 HZ1 LYS 10 HZ1 LYS 10 43.670 21.463 0.945 100 HZ2 LYS 10 HZ2 LYS 10 45.368 21.492 0.935 101 HZ3 LYS 10 HZ3 LYS 10 44.503 22.582 1.908 102 H ILE 11 HN ILE 11 41.523 16.415 -1.410 103 HA ILE 11 HA ILE 11 40.295 19.099 -2.011 104 HB ILE 11 HB ILE 11 41.813 17.456 -4.083 105 HG12 ILE 11 HG12 ILE 11 42.768 19.816 -2.396 106 HG13 ILE 11 HG11 ILE 11 43.424 18.163 -2.372 107 HG21 ILE 11 HG21 ILE 11 41.074 20.412 -4.077 108 HG22 ILE 11 HG22 ILE 11 39.986 19.159 -4.722 109 HG23 ILE 11 HG23 ILE 11 41.587 19.408 -5.454 110 HD11 ILE 11 HD1 ILE 11 43.862 18.512 -4.918 111 HD12 ILE 11 HD2 ILE 11 44.928 19.355 -3.768 112 HD13 ILE 11 HD3 ILE 11 43.614 20.242 -4.577 113 H ILE 12 HN ILE 12 40.652 15.699 -3.123 114 HA ILE 12 HA ILE 12 38.046 15.762 -4.451 115 HB ILE 12 HB ILE 12 39.824 13.426 -3.671 116 HG12 ILE 12 HG12 ILE 12 39.627 14.889 -6.349 117 HG13 ILE 12 HG11 ILE 12 40.899 15.190 -5.146 118 HG21 ILE 12 HG21 ILE 12 38.592 12.335 -5.654 119 HG22 ILE 12 HG22 ILE 12 37.466 13.709 -5.587 120 HG23 ILE 12 HG23 ILE 12 37.611 12.607 -4.201 121 HD11 ILE 12 HD1 ILE 12 41.992 13.616 -6.479 122 HD12 ILE 12 HD2 ILE 12 40.487 12.788 -6.930 123 HD13 ILE 12 HD3 ILE 12 41.207 12.513 -5.326 124 H GLY 13 HN GLY 13 38.833 13.014 -2.376 125 HA2 GLY 13 HA1 GLY 13 36.254 12.932 -1.164 126 HA3 GLY 13 HA2 GLY 13 37.722 12.154 -0.529 127 H GLY 14 HN GLY 14 38.739 15.047 -1.000 128 HA2 GLY 14 HA1 GLY 14 38.499 15.910 1.799 129 HA3 GLY 14 HA2 GLY 14 39.444 16.689 0.509 130 H ALA 15 HN ALA 15 37.554 17.132 -1.482 131 HA ALA 15 HA ALA 15 35.940 19.278 -0.152 132 HB1 ALA 15 HB1 ALA 15 37.146 19.726 -2.300 133 HB2 ALA 15 HB2 ALA 15 35.391 19.986 -2.411 134 HB3 ALA 15 HB3 ALA 15 36.113 18.512 -3.093 135 H ALA 16 HN ALA 16 35.492 16.455 0.374 136 HA ALA 16 HA ALA 16 33.640 15.141 0.777 137 HB1 ALA 16 HB1 ALA 16 31.469 16.001 0.601 138 HB2 ALA 16 HB2 ALA 16 31.847 16.959 -0.849 139 HB3 ALA 16 HB3 ALA 16 32.443 17.481 0.744 140 H LEU 17 HN LEU 17 35.470 14.752 -1.403 141 HA LEU 17 HA LEU 17 35.595 13.500 -3.359 142 HB2 LEU 17 HB2 LEU 17 33.921 12.141 -1.695 143 HB3 LEU 17 HB1 LEU 17 32.809 12.396 -3.055 144 HG LEU 17 HG LEU 17 35.590 11.141 -3.260 145 HD11 LEU 17 HD11 LEU 17 34.105 9.626 -2.095 146 HD12 LEU 17 HD12 LEU 17 34.225 9.066 -3.780 147 HD13 LEU 17 HD13 LEU 17 32.783 9.959 -3.239 148 HD21 LEU 17 HD21 LEU 17 33.331 11.490 -5.286 149 HD22 LEU 17 HD22 LEU 17 34.809 10.538 -5.559 150 HD23 LEU 17 HD23 LEU 17 34.917 12.298 -5.327 151 H ASP 18 HN ASP 18 34.703 16.177 -3.576 152 HA ASP 18 HA ASP 18 33.802 17.606 -5.154 153 HB2 ASP 18 HB2 ASP 18 35.005 15.965 -6.688 154 HB3 ASP 18 HB1 ASP 18 33.434 15.166 -6.928 155 H HIS 19 HN HIS 19 32.063 15.277 -3.605 156 HA HIS 19 HA HIS 19 29.563 16.654 -3.968 157 HB2 HIS 19 HB2 HIS 19 29.547 15.529 -6.159 158 HB3 HIS 19 HB1 HIS 19 29.814 13.958 -5.367 159 HD1 HIS 19 HD1 HIS 19 27.396 13.538 -6.717 160 HD2 HIS 19 HD2 HIS 19 27.331 15.988 -3.299 161 HE1 HIS 19 HE1 HIS 19 24.980 13.627 -5.890 162 H LEU 20 HN LEU 20 30.302 13.158 -3.680 163 HA LEU 20 HA LEU 20 28.676 12.919 -1.289 164 HB2 LEU 20 HB2 LEU 20 30.791 10.936 -2.194 165 HB3 LEU 20 HB1 LEU 20 29.268 10.620 -1.328 166 HG LEU 20 HG LEU 20 29.548 11.591 -4.208 167 HD11 LEU 20 HD11 LEU 20 28.456 8.992 -3.044 168 HD12 LEU 20 HD12 LEU 20 30.060 9.177 -3.793 169 HD13 LEU 20 HD13 LEU 20 28.588 9.404 -4.769 170 HD21 LEU 20 HD21 LEU 20 26.998 11.151 -4.167 171 HD22 LEU 20 HD22 LEU 20 27.566 12.621 -3.345 172 HD23 LEU 20 HD23 LEU 20 27.135 11.180 -2.393 Start of MODEL 14 1 H1 TRP 1 HT1 TRP 1 30.468 7.215 15.708 2 H2 TRP 1 HT2 TRP 1 31.530 6.121 16.459 3 H3 TRP 1 HT3 TRP 1 31.032 5.865 14.855 4 HA TRP 1 HA TRP 1 32.052 8.203 14.499 5 HB2 TRP 1 HB2 TRP 1 33.801 7.090 16.719 6 HB3 TRP 1 HB1 TRP 1 33.893 8.684 15.933 7 HD1 TRP 1 HD1 TRP 1 31.121 9.832 16.087 8 HE1 TRP 1 HE1 TRP 1 29.878 10.318 18.319 9 HE3 TRP 1 HE3 TRP 1 33.703 6.651 19.157 10 HZ2 TRP 1 HZ2 TRP 1 30.012 9.425 21.054 11 HZ3 TRP 1 HZ3 TRP 1 33.128 6.483 21.574 12 HH2 TRP 1 HH2 TRP 1 31.287 7.866 22.524 13 H LEU 2 HN LEU 2 33.007 7.763 12.634 14 HA LEU 2 HA LEU 2 33.890 5.183 11.877 15 HB2 LEU 2 HB2 LEU 2 33.334 6.844 10.209 16 HB3 LEU 2 HB1 LEU 2 34.600 7.938 10.805 17 HG LEU 2 HG LEU 2 36.355 6.446 10.034 18 HD11 LEU 2 HD11 LEU 2 35.606 4.326 8.720 19 HD12 LEU 2 HD12 LEU 2 34.052 4.513 9.568 20 HD13 LEU 2 HD13 LEU 2 35.550 4.254 10.496 21 HD21 LEU 2 HD21 LEU 2 35.907 6.451 7.614 22 HD22 LEU 2 HD22 LEU 2 35.275 7.941 8.354 23 HD23 LEU 2 HD23 LEU 2 34.163 6.622 7.919 24 H ARG 3 HN ARG 3 36.149 7.908 11.892 25 HA ARG 3 HA ARG 3 37.937 6.711 13.858 26 HB2 ARG 3 HB2 ARG 3 38.315 5.276 11.788 27 HB3 ARG 3 HB1 ARG 3 38.896 6.747 10.969 28 HG2 ARG 3 HG2 ARG 3 40.658 7.036 12.645 29 HG3 ARG 3 HG1 ARG 3 40.041 5.647 13.572 30 HD2 ARG 3 HD2 ARG 3 40.425 4.222 11.498 31 HD3 ARG 3 HD1 ARG 3 41.271 5.616 10.786 32 HE ARG 3 HE ARG 3 42.440 3.806 12.636 33 HH11 ARG 3 HH11 ARG 3 42.266 5.760 14.716 34 HH12 ARG 3 HH12 ARG 3 43.585 6.843 14.418 35 HH21 ARG 3 HH21 ARG 3 44.031 5.816 11.136 36 HH22 ARG 3 HH22 ARG 3 44.585 6.873 12.391 37 H ARG 4 HN ARG 4 36.853 9.038 11.631 38 HA ARG 4 HA ARG 4 38.450 11.147 12.960 39 HB2 ARG 4 HB2 ARG 4 38.567 10.622 9.958 40 HB3 ARG 4 HB1 ARG 4 39.114 12.125 10.739 41 HG2 ARG 4 HG2 ARG 4 40.635 10.672 12.197 42 HG3 ARG 4 HG1 ARG 4 40.229 9.317 11.118 43 HD2 ARG 4 HD2 ARG 4 41.021 10.688 9.170 44 HD3 ARG 4 HD1 ARG 4 41.534 11.952 10.313 45 HE ARG 4 HE ARG 4 43.417 10.621 10.809 46 HH11 ARG 4 HH11 ARG 4 40.990 8.839 9.140 47 HH12 ARG 4 HH12 ARG 4 41.877 7.352 9.161 48 HH21 ARG 4 HH21 ARG 4 44.540 8.656 10.956 49 HH22 ARG 4 HH22 ARG 4 43.888 7.247 10.188 50 H ILE 5 HN ILE 5 35.664 9.854 11.656 51 HA ILE 5 HA ILE 5 33.599 10.744 11.098 52 HB ILE 5 HB ILE 5 34.291 13.195 12.766 53 HG12 ILE 5 HG12 ILE 5 33.760 10.356 13.762 54 HG13 ILE 5 HG11 ILE 5 35.254 11.295 13.985 55 HG21 ILE 5 HG21 ILE 5 31.980 13.141 13.352 56 HG22 ILE 5 HG22 ILE 5 31.788 11.460 12.800 57 HG23 ILE 5 HG23 ILE 5 32.004 12.768 11.614 58 HD11 ILE 5 HD1 ILE 5 34.079 11.550 16.037 59 HD12 ILE 5 HD2 ILE 5 32.520 11.785 15.214 60 HD13 ILE 5 HD3 ILE 5 33.760 13.061 15.155 61 H GLY 6 HN GLY 6 35.724 11.328 9.261 62 HA2 GLY 6 HA1 GLY 6 34.546 13.021 7.445 63 HA3 GLY 6 HA2 GLY 6 35.469 14.140 8.470 64 H LYS 7 HN LYS 7 36.427 10.810 7.724 65 HA LYS 7 HA LYS 7 39.074 11.554 6.989 66 HB2 LYS 7 HB2 LYS 7 38.206 9.247 7.655 67 HB3 LYS 7 HB1 LYS 7 37.606 9.087 5.987 68 HG2 LYS 7 HG2 LYS 7 39.999 9.669 5.227 69 HG3 LYS 7 HG1 LYS 7 40.486 9.423 6.921 70 HD2 LYS 7 HD2 LYS 7 39.080 7.366 5.158 71 HD3 LYS 7 HD1 LYS 7 40.805 7.356 5.590 72 HE2 LYS 7 HE2 LYS 7 39.981 7.375 8.063 73 HE3 LYS 7 HE1 LYS 7 38.400 6.908 7.389 74 HZ1 LYS 7 HZ1 LYS 7 40.777 5.343 7.718 75 HZ2 LYS 7 HZ2 LYS 7 40.189 5.274 6.126 76 HZ3 LYS 7 HZ3 LYS 7 39.183 4.842 7.425 77 H GLY 8 HN GLY 8 39.938 12.403 5.213 78 HA2 GLY 8 HA1 GLY 8 38.966 11.816 2.562 79 HA3 GLY 8 HA2 GLY 8 38.416 13.420 3.085 80 H VAL 9 HN VAL 9 40.226 12.726 0.906 81 HA VAL 9 HA VAL 9 42.945 13.250 1.680 82 HB VAL 9 HB VAL 9 43.075 14.023 -0.852 83 HG11 VAL 9 HG11 VAL 9 43.909 11.860 -0.123 84 HG12 VAL 9 HG12 VAL 9 42.918 11.611 -1.579 85 HG13 VAL 9 HG13 VAL 9 42.255 11.219 0.025 86 HG21 VAL 9 HG21 VAL 9 40.399 12.565 -0.916 87 HG22 VAL 9 HG22 VAL 9 41.208 13.457 -2.228 88 HG23 VAL 9 HG23 VAL 9 40.496 14.340 -0.858 89 H LYS 10 HN LYS 10 41.856 15.486 -0.717 90 HA LYS 10 HA LYS 10 41.502 17.738 1.125 91 HB2 LYS 10 HB2 LYS 10 43.947 17.486 1.224 92 HB3 LYS 10 HB1 LYS 10 44.040 17.503 -0.549 93 HG2 LYS 10 HG2 LYS 10 44.637 19.702 0.439 94 HG3 LYS 10 HG1 LYS 10 43.204 19.821 -0.601 95 HD2 LYS 10 HD2 LYS 10 41.728 20.064 1.236 96 HD3 LYS 10 HD1 LYS 10 42.883 19.347 2.386 97 HE2 LYS 10 HE2 LYS 10 44.354 21.349 2.110 98 HE3 LYS 10 HE1 LYS 10 43.141 22.066 1.022 99 HZ1 LYS 10 HZ1 LYS 10 42.686 21.278 3.859 100 HZ2 LYS 10 HZ2 LYS 10 41.528 21.966 2.822 101 HZ3 LYS 10 HZ3 LYS 10 42.891 22.864 3.294 102 H ILE 11 HN ILE 11 41.524 16.205 -1.956 103 HA ILE 11 HA ILE 11 40.300 18.654 -3.239 104 HB ILE 11 HB ILE 11 41.601 16.322 -4.689 105 HG12 ILE 11 HG12 ILE 11 42.827 18.965 -3.774 106 HG13 ILE 11 HG11 ILE 11 43.308 17.336 -3.249 107 HG21 ILE 11 HG21 ILE 11 41.180 19.202 -5.591 108 HG22 ILE 11 HG22 ILE 11 39.956 17.936 -5.845 109 HG23 ILE 11 HG23 ILE 11 41.561 17.782 -6.593 110 HD11 ILE 11 HD1 ILE 11 43.677 18.632 -5.970 111 HD12 ILE 11 HD2 ILE 11 43.744 16.863 -5.772 112 HD13 ILE 11 HD3 ILE 11 44.905 17.902 -4.913 113 H ILE 12 HN ILE 12 40.293 15.056 -3.216 114 HA ILE 12 HA ILE 12 37.571 15.064 -4.426 115 HB ILE 12 HB ILE 12 39.371 12.774 -3.554 116 HG12 ILE 12 HG12 ILE 12 40.491 14.035 -5.300 117 HG13 ILE 12 HG11 ILE 12 39.869 12.534 -6.016 118 HG21 ILE 12 HG21 ILE 12 37.280 11.743 -3.725 119 HG22 ILE 12 HG22 ILE 12 37.785 11.630 -5.423 120 HG23 ILE 12 HG23 ILE 12 36.667 12.914 -4.910 121 HD11 ILE 12 HD1 ILE 12 38.858 15.374 -6.361 122 HD12 ILE 12 HD2 ILE 12 37.770 13.997 -6.645 123 HD13 ILE 12 HD3 ILE 12 39.254 14.168 -7.604 124 H GLY 13 HN GLY 13 38.411 12.496 -2.199 125 HA2 GLY 13 HA1 GLY 13 36.058 12.721 -0.658 126 HA3 GLY 13 HA2 GLY 13 37.566 11.957 -0.108 127 H GLY 14 HN GLY 14 38.673 14.711 -0.968 128 HA2 GLY 14 HA1 GLY 14 38.677 15.889 1.728 129 HA3 GLY 14 HA2 GLY 14 39.590 16.442 0.307 130 H ALA 15 HN ALA 15 37.673 16.828 -1.633 131 HA ALA 15 HA ALA 15 36.277 19.211 -0.492 132 HB1 ALA 15 HB1 ALA 15 35.715 19.754 -2.756 133 HB2 ALA 15 HB2 ALA 15 36.118 18.118 -3.320 134 HB3 ALA 15 HB3 ALA 15 37.409 19.214 -2.760 135 H ALA 16 HN ALA 16 35.652 16.447 0.327 136 HA ALA 16 HA ALA 16 33.704 15.420 1.035 137 HB1 ALA 16 HB1 ALA 16 31.611 16.432 0.835 138 HB2 ALA 16 HB2 ALA 16 31.960 17.094 -0.780 139 HB3 ALA 16 HB3 ALA 16 32.696 17.831 0.663 140 H LEU 17 HN LEU 17 35.375 14.526 -1.115 141 HA LEU 17 HA LEU 17 35.299 13.023 -2.893 142 HB2 LEU 17 HB2 LEU 17 33.722 12.036 -0.884 143 HB3 LEU 17 HB1 LEU 17 32.533 12.068 -2.201 144 HG LEU 17 HG LEU 17 35.280 10.728 -2.335 145 HD11 LEU 17 HD11 LEU 17 32.499 9.491 -2.172 146 HD12 LEU 17 HD12 LEU 17 33.615 9.636 -0.793 147 HD13 LEU 17 HD13 LEU 17 34.056 8.628 -2.193 148 HD21 LEU 17 HD21 LEU 17 34.336 9.734 -4.436 149 HD22 LEU 17 HD22 LEU 17 34.512 11.502 -4.535 150 HD23 LEU 17 HD23 LEU 17 32.909 10.780 -4.258 151 H ASP 18 HN ASP 18 34.253 15.723 -3.329 152 HA ASP 18 HA ASP 18 33.046 16.916 -4.916 153 HB2 ASP 18 HB2 ASP 18 33.514 14.349 -6.484 154 HB3 ASP 18 HB1 ASP 18 33.021 15.909 -7.187 155 H HIS 19 HN HIS 19 31.312 16.064 -3.088 156 HA HIS 19 HA HIS 19 29.093 15.485 -2.727 157 HB2 HIS 19 HB2 HIS 19 28.699 16.116 -5.672 158 HB3 HIS 19 HB1 HIS 19 27.517 16.271 -4.350 159 HD1 HIS 19 HD1 HIS 19 29.956 17.488 -2.429 160 HD2 HIS 19 HD2 HIS 19 28.508 18.979 -6.086 161 HE1 HIS 19 HE1 HIS 19 30.520 19.980 -2.513 162 H LEU 20 HN LEU 20 30.410 13.234 -2.831 163 HA LEU 20 HA LEU 20 30.316 10.981 -3.403 164 HB2 LEU 20 HB2 LEU 20 27.439 11.894 -3.729 165 HB3 LEU 20 HB1 LEU 20 27.901 10.197 -3.996 166 HG LEU 20 HG LEU 20 28.860 10.093 -1.715 167 HD11 LEU 20 HD11 LEU 20 28.205 12.075 -0.167 168 HD12 LEU 20 HD12 LEU 20 27.996 13.010 -1.666 169 HD13 LEU 20 HD13 LEU 20 29.584 12.315 -1.260 170 HD21 LEU 20 HD21 LEU 20 26.742 10.124 -0.504 171 HD22 LEU 20 HD22 LEU 20 26.436 9.569 -2.168 172 HD23 LEU 20 HD23 LEU 20 26.032 11.238 -1.697 Start of MODEL 15 1 H1 TRP 1 HT1 TRP 1 33.082 4.468 1.532 2 H2 TRP 1 HT2 TRP 1 33.216 5.673 2.722 3 H3 TRP 1 HT3 TRP 1 32.807 4.082 3.160 4 HA TRP 1 HA TRP 1 34.918 3.268 2.622 5 HB2 TRP 1 HB2 TRP 1 35.272 6.037 1.421 6 HB3 TRP 1 HB1 TRP 1 36.671 5.013 1.835 7 HD1 TRP 1 HD1 TRP 1 36.208 2.308 0.823 8 HE1 TRP 1 HE1 TRP 1 35.613 1.681 -1.631 9 HE3 TRP 1 HE3 TRP 1 34.326 6.811 -0.727 10 HZ2 TRP 1 HZ2 TRP 1 34.474 2.986 -3.932 11 HZ3 TRP 1 HZ3 TRP 1 33.491 7.097 -3.055 12 HH2 TRP 1 HH2 TRP 1 33.563 5.191 -4.658 13 H LEU 2 HN LEU 2 36.772 3.448 3.962 14 HA LEU 2 HA LEU 2 36.629 5.582 6.072 15 HB2 LEU 2 HB2 LEU 2 37.118 2.643 6.623 16 HB3 LEU 2 HB1 LEU 2 37.077 3.980 7.798 17 HG LEU 2 HG LEU 2 34.696 3.257 6.031 18 HD11 LEU 2 HD11 LEU 2 33.781 2.053 7.989 19 HD12 LEU 2 HD12 LEU 2 35.292 2.351 8.882 20 HD13 LEU 2 HD13 LEU 2 35.302 1.311 7.437 21 HD21 LEU 2 HD21 LEU 2 35.092 4.974 8.523 22 HD22 LEU 2 HD22 LEU 2 33.488 4.427 7.988 23 HD23 LEU 2 HD23 LEU 2 34.463 5.473 6.937 24 H ARG 3 HN ARG 3 38.337 3.985 3.705 25 HA ARG 3 HA ARG 3 40.897 3.484 4.683 26 HB2 ARG 3 HB2 ARG 3 40.089 4.965 2.147 27 HB3 ARG 3 HB1 ARG 3 41.744 4.401 2.481 28 HG2 ARG 3 HG2 ARG 3 41.032 2.096 2.559 29 HG3 ARG 3 HG1 ARG 3 39.315 2.566 2.531 30 HD2 ARG 3 HD2 ARG 3 39.559 3.471 0.267 31 HD3 ARG 3 HD1 ARG 3 41.306 3.132 0.292 32 HE ARG 3 HE ARG 3 39.252 1.220 -0.339 33 HH11 ARG 3 HH11 ARG 3 41.979 0.765 -1.262 34 HH12 ARG 3 HH12 ARG 3 42.552 -0.505 -0.235 35 HH21 ARG 3 HH21 ARG 3 40.075 -0.055 2.150 36 HH22 ARG 3 HH22 ARG 3 41.475 -0.971 1.697 37 H ARG 4 HN ARG 4 39.123 6.417 4.635 38 HA ARG 4 HA ARG 4 41.501 7.957 5.659 39 HB2 ARG 4 HB2 ARG 4 39.059 9.112 4.256 40 HB3 ARG 4 HB1 ARG 4 40.563 9.953 4.696 41 HG2 ARG 4 HG2 ARG 4 40.365 7.650 2.700 42 HG3 ARG 4 HG1 ARG 4 40.474 9.370 2.266 43 HD2 ARG 4 HD2 ARG 4 42.645 9.389 3.714 44 HD3 ARG 4 HD1 ARG 4 42.571 7.615 3.582 45 HE ARG 4 HE ARG 4 42.315 8.899 0.988 46 HH11 ARG 4 HH11 ARG 4 44.767 10.208 1.902 47 HH12 ARG 4 HH12 ARG 4 46.002 9.048 1.539 48 HH21 ARG 4 HH21 ARG 4 43.785 6.404 1.192 49 HH22 ARG 4 HH22 ARG 4 45.445 6.894 1.136 50 H ILE 5 HN ILE 5 38.376 6.602 6.262 51 HA ILE 5 HA ILE 5 36.971 6.792 8.085 52 HB ILE 5 HB ILE 5 39.187 8.300 9.535 53 HG12 ILE 5 HG12 ILE 5 38.898 5.301 9.032 54 HG13 ILE 5 HG11 ILE 5 40.215 6.347 8.456 55 HG21 ILE 5 HG21 ILE 5 37.235 6.211 10.588 56 HG22 ILE 5 HG22 ILE 5 36.823 7.941 10.526 57 HG23 ILE 5 HG23 ILE 5 38.195 7.391 11.512 58 HD11 ILE 5 HD1 ILE 5 41.104 5.293 10.391 59 HD12 ILE 5 HD2 ILE 5 39.591 5.492 11.302 60 HD13 ILE 5 HD3 ILE 5 40.618 6.906 10.962 61 H GLY 6 HN GLY 6 36.275 8.522 6.258 62 HA2 GLY 6 HA1 GLY 6 35.198 10.528 5.885 63 HA3 GLY 6 HA2 GLY 6 34.903 10.554 7.633 64 H LYS 7 HN LYS 7 38.228 10.451 7.071 65 HA LYS 7 HA LYS 7 38.529 13.195 7.993 66 HB2 LYS 7 HB2 LYS 7 40.095 11.241 8.480 67 HB3 LYS 7 HB1 LYS 7 40.696 11.418 6.814 68 HG2 LYS 7 HG2 LYS 7 41.125 13.885 7.373 69 HG3 LYS 7 HG1 LYS 7 40.814 13.461 9.072 70 HD2 LYS 7 HD2 LYS 7 42.966 12.275 7.261 71 HD3 LYS 7 HD1 LYS 7 43.224 13.374 8.636 72 HE2 LYS 7 HE2 LYS 7 42.323 10.477 8.666 73 HE3 LYS 7 HE1 LYS 7 43.664 11.236 9.553 74 HZ1 LYS 7 HZ1 LYS 7 41.629 12.641 10.499 75 HZ2 LYS 7 HZ2 LYS 7 42.151 11.189 11.209 76 HZ3 LYS 7 HZ3 LYS 7 40.811 11.193 10.165 77 H GLY 8 HN GLY 8 38.459 11.583 4.885 78 HA2 GLY 8 HA1 GLY 8 38.274 12.560 2.777 79 HA3 GLY 8 HA2 GLY 8 38.398 14.167 3.521 80 H VAL 9 HN VAL 9 39.646 13.200 1.076 81 HA VAL 9 HA VAL 9 42.448 12.673 1.634 82 HB VAL 9 HB VAL 9 41.111 13.695 -0.914 83 HG11 VAL 9 HG11 VAL 9 43.213 12.665 -1.948 84 HG12 VAL 9 HG12 VAL 9 43.885 12.594 -0.301 85 HG13 VAL 9 HG13 VAL 9 43.472 14.165 -1.029 86 HG21 VAL 9 HG21 VAL 9 41.236 11.322 -1.611 87 HG22 VAL 9 HG22 VAL 9 40.256 11.496 -0.135 88 HG23 VAL 9 HG23 VAL 9 41.926 10.888 -0.029 89 H LYS 10 HN LYS 10 41.275 15.411 -0.338 90 HA LYS 10 HA LYS 10 42.262 17.446 1.466 91 HB2 LYS 10 HB2 LYS 10 44.429 16.389 0.694 92 HB3 LYS 10 HB1 LYS 10 44.019 16.910 -0.958 93 HG2 LYS 10 HG2 LYS 10 43.901 19.259 -0.200 94 HG3 LYS 10 HG1 LYS 10 44.288 18.750 1.462 95 HD2 LYS 10 HD2 LYS 10 46.471 17.930 0.767 96 HD3 LYS 10 HD1 LYS 10 46.082 18.225 -0.946 97 HE2 LYS 10 HE2 LYS 10 45.800 20.673 -0.387 98 HE3 LYS 10 HE1 LYS 10 46.397 20.314 1.251 99 HZ1 LYS 10 HZ1 LYS 10 47.843 20.503 -1.244 100 HZ2 LYS 10 HZ2 LYS 10 48.244 19.132 -0.323 101 HZ3 LYS 10 HZ3 LYS 10 48.396 20.685 0.349 102 H ILE 11 HN ILE 11 41.156 16.318 -1.644 103 HA ILE 11 HA ILE 11 40.022 19.055 -2.190 104 HB ILE 11 HB ILE 11 41.090 17.213 -4.371 105 HG12 ILE 11 HG12 ILE 11 42.447 19.592 -3.018 106 HG13 ILE 11 HG11 ILE 11 42.974 17.895 -2.930 107 HG21 ILE 11 HG21 ILE 11 40.560 20.214 -4.421 108 HG22 ILE 11 HG22 ILE 11 39.304 19.019 -4.822 109 HG23 ILE 11 HG23 ILE 11 40.786 19.114 -5.801 110 HD11 ILE 11 HD1 ILE 11 43.072 17.996 -5.532 111 HD12 ILE 11 HD2 ILE 11 44.349 18.836 -4.621 112 HD13 ILE 11 HD3 ILE 11 43.004 19.763 -5.324 113 H ILE 12 HN ILE 12 39.975 15.569 -3.020 114 HA ILE 12 HA ILE 12 37.214 15.731 -4.005 115 HB ILE 12 HB ILE 12 38.981 13.368 -3.280 116 HG12 ILE 12 HG12 ILE 12 38.365 14.232 -6.136 117 HG13 ILE 12 HG11 ILE 12 39.631 15.087 -5.229 118 HG21 ILE 12 HG21 ILE 12 36.238 13.600 -4.574 119 HG22 ILE 12 HG22 ILE 12 36.807 12.448 -3.344 120 HG23 ILE 12 HG23 ILE 12 37.302 12.253 -5.036 121 HD11 ILE 12 HD1 ILE 12 39.596 12.052 -5.419 122 HD12 ILE 12 HD2 ILE 12 40.944 13.122 -4.972 123 HD13 ILE 12 HD3 ILE 12 40.373 13.066 -6.657 124 H GLY 13 HN GLY 13 38.178 13.129 -1.815 125 HA2 GLY 13 HA1 GLY 13 35.813 13.282 -0.232 126 HA3 GLY 13 HA2 GLY 13 37.335 12.495 0.248 127 H GLY 14 HN GLY 14 38.384 15.272 -0.642 128 HA2 GLY 14 HA1 GLY 14 38.577 16.395 2.073 129 HA3 GLY 14 HA2 GLY 14 39.365 17.001 0.599 130 H ALA 15 HN ALA 15 37.268 17.399 -1.153 131 HA ALA 15 HA ALA 15 35.926 19.723 0.178 132 HB1 ALA 15 HB1 ALA 15 36.921 19.921 -2.125 133 HB2 ALA 15 HB2 ALA 15 35.193 20.329 -2.043 134 HB3 ALA 15 HB3 ALA 15 35.701 18.757 -2.698 135 H ALA 16 HN ALA 16 35.414 16.935 0.911 136 HA ALA 16 HA ALA 16 33.546 15.784 1.634 137 HB1 ALA 16 HB1 ALA 16 31.418 16.754 1.632 138 HB2 ALA 16 HB2 ALA 16 31.664 17.559 0.066 139 HB3 ALA 16 HB3 ALA 16 32.468 18.185 1.524 140 H LEU 17 HN LEU 17 35.086 15.027 -0.611 141 HA LEU 17 HA LEU 17 34.933 13.539 -2.396 142 HB2 LEU 17 HB2 LEU 17 33.312 12.467 -0.631 143 HB3 LEU 17 HB1 LEU 17 32.022 13.041 -1.709 144 HG LEU 17 HG LEU 17 33.513 11.848 -3.602 145 HD11 LEU 17 HD11 LEU 17 34.182 10.154 -1.156 146 HD12 LEU 17 HD12 LEU 17 35.331 11.300 -1.883 147 HD13 LEU 17 HD13 LEU 17 34.735 9.917 -2.829 148 HD21 LEU 17 HD21 LEU 17 32.208 9.760 -3.241 149 HD22 LEU 17 HD22 LEU 17 31.199 11.207 -3.007 150 HD23 LEU 17 HD23 LEU 17 31.802 10.304 -1.596 151 H ASP 18 HN ASP 18 34.114 16.400 -2.625 152 HA ASP 18 HA ASP 18 33.285 17.806 -4.263 153 HB2 ASP 18 HB2 ASP 18 34.703 16.306 -5.693 154 HB3 ASP 18 HB1 ASP 18 33.254 15.330 -6.029 155 H HIS 19 HN HIS 19 31.627 14.843 -5.400 156 HA HIS 19 HA HIS 19 29.156 16.032 -5.911 157 HB2 HIS 19 HB2 HIS 19 29.510 13.233 -4.776 158 HB3 HIS 19 HB1 HIS 19 28.203 13.817 -5.835 159 HD1 HIS 19 HD1 HIS 19 31.210 15.406 -6.992 160 HD2 HIS 19 HD2 HIS 19 29.622 11.531 -7.392 161 HE1 HIS 19 HE1 HIS 19 32.329 14.329 -9.020 162 H LEU 20 HN LEU 20 29.892 14.119 -2.951 163 HA LEU 20 HA LEU 20 27.534 15.195 -1.595 164 HB2 LEU 20 HB2 LEU 20 29.851 13.752 -0.267 165 HB3 LEU 20 HB1 LEU 20 28.133 13.768 0.200 166 HG LEU 20 HG LEU 20 29.325 12.478 -2.295 167 HD11 LEU 20 HD11 LEU 20 28.635 10.381 -1.244 168 HD12 LEU 20 HD12 LEU 20 27.912 11.265 0.121 169 HD13 LEU 20 HD13 LEU 20 29.676 11.280 -0.117 170 HD21 LEU 20 HD21 LEU 20 26.904 11.588 -2.494 171 HD22 LEU 20 HD22 LEU 20 27.164 13.291 -2.934 172 HD23 LEU 20 HD23 LEU 20 26.455 12.879 -1.353 Start of MODEL 16 1 H1 TRP 1 HT1 TRP 1 53.609 6.388 -4.614 2 H2 TRP 1 HT2 TRP 1 52.592 5.047 -4.844 3 H3 TRP 1 HT3 TRP 1 53.622 5.116 -3.493 4 HA TRP 1 HA TRP 1 52.137 7.413 -3.408 5 HB2 TRP 1 HB2 TRP 1 50.333 4.995 -3.758 6 HB3 TRP 1 HB1 TRP 1 49.860 6.700 -3.570 7 HD1 TRP 1 HD1 TRP 1 51.511 8.206 -5.600 8 HE1 TRP 1 HE1 TRP 1 51.337 7.815 -8.165 9 HE3 TRP 1 HE3 TRP 1 49.537 3.482 -5.565 10 HZ2 TRP 1 HZ2 TRP 1 50.453 5.721 -9.932 11 HZ3 TRP 1 HZ3 TRP 1 49.035 2.307 -7.702 12 HH2 TRP 1 HH2 TRP 1 49.492 3.421 -9.883 13 H LEU 2 HN LEU 2 52.055 7.817 -1.294 14 HA LEU 2 HA LEU 2 53.018 6.030 0.641 15 HB2 LEU 2 HB2 LEU 2 52.912 8.402 1.090 16 HB3 LEU 2 HB1 LEU 2 51.144 8.403 0.915 17 HG LEU 2 HG LEU 2 50.863 7.105 2.943 18 HD11 LEU 2 HD11 LEU 2 53.011 6.540 4.298 19 HD12 LEU 2 HD12 LEU 2 53.881 6.766 2.760 20 HD13 LEU 2 HD13 LEU 2 52.628 5.508 2.901 21 HD21 LEU 2 HD21 LEU 2 53.024 9.207 3.410 22 HD22 LEU 2 HD22 LEU 2 51.827 8.637 4.597 23 HD23 LEU 2 HD23 LEU 2 51.297 9.560 3.171 24 H ARG 3 HN ARG 3 49.696 7.203 0.869 25 HA ARG 3 HA ARG 3 48.593 4.453 0.865 26 HB2 ARG 3 HB2 ARG 3 49.410 4.942 3.239 27 HB3 ARG 3 HB1 ARG 3 48.214 6.257 3.291 28 HG2 ARG 3 HG2 ARG 3 46.384 4.692 2.935 29 HG3 ARG 3 HG1 ARG 3 47.525 3.353 2.659 30 HD2 ARG 3 HD2 ARG 3 46.610 3.290 4.962 31 HD3 ARG 3 HD1 ARG 3 48.366 3.582 4.974 32 HE ARG 3 HE ARG 3 46.836 6.063 4.989 33 HH11 ARG 3 HH11 ARG 3 49.263 4.515 6.547 34 HH12 ARG 3 HH12 ARG 3 48.791 4.940 8.159 35 HH21 ARG 3 HH21 ARG 3 45.686 6.160 7.214 36 HH22 ARG 3 HH22 ARG 3 46.766 5.871 8.537 37 H ARG 4 HN ARG 4 48.550 7.775 0.384 38 HA ARG 4 HA ARG 4 46.053 7.731 -1.012 39 HB2 ARG 4 HB2 ARG 4 44.826 9.340 0.528 40 HB3 ARG 4 HB1 ARG 4 44.946 7.665 1.119 41 HG2 ARG 4 HG2 ARG 4 46.820 8.252 2.567 42 HG3 ARG 4 HG1 ARG 4 46.869 9.900 1.896 43 HD2 ARG 4 HD2 ARG 4 44.674 10.406 2.813 44 HD3 ARG 4 HD1 ARG 4 44.454 8.718 3.331 45 HE ARG 4 HE ARG 4 46.827 9.673 4.561 46 HH11 ARG 4 HH11 ARG 4 44.550 8.488 6.081 47 HH12 ARG 4 HH12 ARG 4 43.995 9.832 7.024 48 HH21 ARG 4 HH21 ARG 4 45.638 12.202 5.098 49 HH22 ARG 4 HH22 ARG 4 44.611 11.934 6.466 50 H ILE 5 HN ILE 5 49.044 8.868 -0.444 51 HA ILE 5 HA ILE 5 48.835 11.697 -0.615 52 HB ILE 5 HB ILE 5 50.986 10.432 -0.287 53 HG12 ILE 5 HG12 ILE 5 50.977 12.361 -2.656 54 HG13 ILE 5 HG11 ILE 5 50.914 12.847 -0.946 55 HG21 ILE 5 HG21 ILE 5 50.943 10.070 -3.311 56 HG22 ILE 5 HG22 ILE 5 50.454 8.785 -2.181 57 HG23 ILE 5 HG23 ILE 5 52.117 9.419 -2.143 58 HD11 ILE 5 HD1 ILE 5 53.093 11.443 -0.671 59 HD12 ILE 5 HD2 ILE 5 53.215 13.010 -1.508 60 HD13 ILE 5 HD3 ILE 5 53.185 11.501 -2.449 61 H GLY 6 HN GLY 6 48.745 9.206 -3.166 62 HA2 GLY 6 HA1 GLY 6 48.526 11.198 -5.301 63 HA3 GLY 6 HA2 GLY 6 48.369 9.437 -5.456 64 H LYS 7 HN LYS 7 46.452 10.743 -2.953 65 HA LYS 7 HA LYS 7 44.173 11.591 -4.497 66 HB2 LYS 7 HB2 LYS 7 42.717 9.589 -4.011 67 HB3 LYS 7 HB1 LYS 7 43.990 9.292 -5.219 68 HG2 LYS 7 HG2 LYS 7 45.432 8.320 -3.424 69 HG3 LYS 7 HG1 LYS 7 44.104 8.553 -2.261 70 HD2 LYS 7 HD2 LYS 7 42.642 7.100 -3.648 71 HD3 LYS 7 HD1 LYS 7 43.986 6.849 -4.789 72 HE2 LYS 7 HE2 LYS 7 45.338 5.811 -3.025 73 HE3 LYS 7 HE1 LYS 7 44.066 6.135 -1.824 74 HZ1 LYS 7 HZ1 LYS 7 44.153 4.140 -3.964 75 HZ2 LYS 7 HZ2 LYS 7 42.642 4.840 -3.623 76 HZ3 LYS 7 HZ3 LYS 7 43.502 4.030 -2.402 77 H GLY 8 HN GLY 8 45.447 12.680 -2.333 78 HA2 GLY 8 HA1 GLY 8 44.225 11.888 0.172 79 HA3 GLY 8 HA2 GLY 8 45.118 13.389 -0.147 80 H VAL 9 HN VAL 9 42.595 12.859 1.360 81 HA VAL 9 HA VAL 9 40.448 14.001 -0.264 82 HB VAL 9 HB VAL 9 39.214 14.127 1.897 83 HG11 VAL 9 HG11 VAL 9 39.356 12.015 0.516 84 HG12 VAL 9 HG12 VAL 9 39.076 11.723 2.250 85 HG13 VAL 9 HG13 VAL 9 40.698 11.486 1.558 86 HG21 VAL 9 HG21 VAL 9 41.875 13.137 3.016 87 HG22 VAL 9 HG22 VAL 9 40.341 13.133 3.919 88 HG23 VAL 9 HG23 VAL 9 41.064 14.673 3.400 89 H LYS 10 HN LYS 10 42.921 15.567 -0.160 90 HA LYS 10 HA LYS 10 42.315 17.887 1.565 91 HB2 LYS 10 HB2 LYS 10 44.363 17.779 -0.675 92 HB3 LYS 10 HB1 LYS 10 44.389 18.757 0.813 93 HG2 LYS 10 HG2 LYS 10 44.682 15.725 0.621 94 HG3 LYS 10 HG1 LYS 10 45.960 16.892 1.036 95 HD2 LYS 10 HD2 LYS 10 44.451 17.619 2.996 96 HD3 LYS 10 HD1 LYS 10 43.488 16.159 2.656 97 HE2 LYS 10 HE2 LYS 10 46.386 16.346 3.542 98 HE3 LYS 10 HE1 LYS 10 45.046 15.458 4.308 99 HZ1 LYS 10 HZ1 LYS 10 46.300 14.839 1.677 100 HZ2 LYS 10 HZ2 LYS 10 44.965 14.022 2.338 101 HZ3 LYS 10 HZ3 LYS 10 46.477 13.948 3.109 102 H ILE 11 HN ILE 11 41.341 16.707 -1.462 103 HA ILE 11 HA ILE 11 40.206 19.394 -2.187 104 HB ILE 11 HB ILE 11 41.431 17.512 -4.242 105 HG12 ILE 11 HG12 ILE 11 42.668 19.971 -2.916 106 HG13 ILE 11 HG11 ILE 11 43.230 18.292 -2.742 107 HG21 ILE 11 HG21 ILE 11 39.628 19.256 -4.846 108 HG22 ILE 11 HG22 ILE 11 41.152 19.349 -5.758 109 HG23 ILE 11 HG23 ILE 11 40.836 20.495 -4.432 110 HD11 ILE 11 HD1 ILE 11 44.660 19.205 -4.400 111 HD12 ILE 11 HD2 ILE 11 43.330 20.075 -5.197 112 HD13 ILE 11 HD3 ILE 11 43.448 18.304 -5.339 113 H ILE 12 HN ILE 12 40.285 15.870 -2.665 114 HA ILE 12 HA ILE 12 37.693 15.796 -4.014 115 HB ILE 12 HB ILE 12 39.335 13.648 -2.640 116 HG12 ILE 12 HG12 ILE 12 39.138 14.342 -5.612 117 HG13 ILE 12 HG11 ILE 12 40.453 14.887 -4.549 118 HG21 ILE 12 HG21 ILE 12 37.994 12.132 -4.243 119 HG22 ILE 12 HG22 ILE 12 36.936 13.535 -4.520 120 HG23 ILE 12 HG23 ILE 12 37.080 12.833 -2.894 121 HD11 ILE 12 HD1 ILE 12 41.432 12.958 -5.427 122 HD12 ILE 12 HD2 ILE 12 39.878 12.118 -5.613 123 HD13 ILE 12 HD3 ILE 12 40.631 12.250 -4.006 124 H GLY 13 HN GLY 13 38.424 13.723 -1.229 125 HA2 GLY 13 HA1 GLY 13 35.829 14.074 -0.052 126 HA3 GLY 13 HA2 GLY 13 37.268 13.408 0.753 127 H GLY 14 HN GLY 14 38.385 16.037 -0.559 128 HA2 GLY 14 HA1 GLY 14 38.277 17.628 1.931 129 HA3 GLY 14 HA2 GLY 14 39.224 17.980 0.469 130 H ALA 15 HN ALA 15 37.283 17.924 -1.519 131 HA ALA 15 HA ALA 15 35.833 20.456 -0.867 132 HB1 ALA 15 HB1 ALA 15 37.005 20.215 -3.050 133 HB2 ALA 15 HB2 ALA 15 35.257 20.471 -3.245 134 HB3 ALA 15 HB3 ALA 15 35.944 18.843 -3.449 135 H ALA 16 HN ALA 16 35.267 17.869 0.406 136 HA ALA 16 HA ALA 16 33.346 16.864 1.203 137 HB1 ALA 16 HB1 ALA 16 31.599 18.222 -0.860 138 HB2 ALA 16 HB2 ALA 16 32.273 19.163 0.492 139 HB3 ALA 16 HB3 ALA 16 31.224 17.764 0.818 140 H LEU 17 HN LEU 17 35.097 15.759 -0.784 141 HA LEU 17 HA LEU 17 35.106 13.958 -2.267 142 HB2 LEU 17 HB2 LEU 17 33.535 13.142 -0.323 143 HB3 LEU 17 HB1 LEU 17 32.231 13.367 -1.508 144 HG LEU 17 HG LEU 17 33.876 11.941 -3.093 145 HD11 LEU 17 HD11 LEU 17 35.238 10.340 -1.928 146 HD12 LEU 17 HD12 LEU 17 34.581 10.824 -0.345 147 HD13 LEU 17 HD13 LEU 17 35.654 11.924 -1.236 148 HD21 LEU 17 HD21 LEU 17 32.744 9.853 -2.269 149 HD22 LEU 17 HD22 LEU 17 31.619 11.216 -2.485 150 HD23 LEU 17 HD23 LEU 17 32.168 10.763 -0.853 151 H ASP 18 HN ASP 18 34.068 16.633 -3.097 152 HA ASP 18 HA ASP 18 33.109 17.593 -4.974 153 HB2 ASP 18 HB2 ASP 18 33.557 14.811 -6.127 154 HB3 ASP 18 HB1 ASP 18 33.217 16.281 -7.070 155 H HIS 19 HN HIS 19 31.859 14.331 -5.671 156 HA HIS 19 HA HIS 19 29.266 15.134 -6.339 157 HB2 HIS 19 HB2 HIS 19 30.256 12.842 -6.647 158 HB3 HIS 19 HB1 HIS 19 29.979 12.541 -4.914 159 HD1 HIS 19 HD1 HIS 19 27.566 12.155 -4.106 160 HD2 HIS 19 HD2 HIS 19 27.870 12.951 -8.224 161 HE1 HIS 19 HE1 HIS 19 25.282 11.677 -5.145 162 H LEU 20 HN LEU 20 30.223 13.707 -3.172 163 HA LEU 20 HA LEU 20 27.707 14.479 -1.948 164 HB2 LEU 20 HB2 LEU 20 29.453 12.592 -1.314 165 HB3 LEU 20 HB1 LEU 20 30.221 13.876 -0.358 166 HG LEU 20 HG LEU 20 27.325 12.931 -0.129 167 HD11 LEU 20 HD11 LEU 20 29.059 11.402 0.818 168 HD12 LEU 20 HD12 LEU 20 28.029 12.120 2.079 169 HD13 LEU 20 HD13 LEU 20 29.673 12.747 1.809 170 HD21 LEU 20 HD21 LEU 20 27.269 15.257 0.382 171 HD22 LEU 20 HD22 LEU 20 28.865 15.215 1.171 172 HD23 LEU 20 HD23 LEU 20 27.454 14.476 1.967 Start of MODEL 17 1 H1 TRP 1 HT1 TRP 1 32.711 3.600 11.384 2 H2 TRP 1 HT2 TRP 1 34.246 3.643 12.111 3 H3 TRP 1 HT3 TRP 1 34.086 3.193 10.480 4 HA TRP 1 HA TRP 1 32.918 5.567 10.441 5 HB2 TRP 1 HB2 TRP 1 35.138 5.626 12.521 6 HB3 TRP 1 HB1 TRP 1 34.481 7.072 11.716 7 HD1 TRP 1 HD1 TRP 1 33.258 4.098 13.875 8 HE1 TRP 1 HE1 TRP 1 31.219 4.866 15.296 9 HE3 TRP 1 HE3 TRP 1 32.731 8.845 12.030 10 HZ2 TRP 1 HZ2 TRP 1 29.602 7.233 15.569 11 HZ3 TRP 1 HZ3 TRP 1 30.933 10.340 12.886 12 HH2 TRP 1 HH2 TRP 1 29.370 9.539 14.652 13 H LEU 2 HN LEU 2 34.557 7.336 9.622 14 HA LEU 2 HA LEU 2 36.009 6.080 7.438 15 HB2 LEU 2 HB2 LEU 2 36.220 8.971 8.335 16 HB3 LEU 2 HB1 LEU 2 36.441 8.306 6.699 17 HG LEU 2 HG LEU 2 33.838 8.427 8.287 18 HD11 LEU 2 HD11 LEU 2 34.702 10.549 7.199 19 HD12 LEU 2 HD12 LEU 2 33.127 9.995 6.582 20 HD13 LEU 2 HD13 LEU 2 34.604 9.712 5.632 21 HD21 LEU 2 HD21 LEU 2 32.901 7.582 6.012 22 HD22 LEU 2 HD22 LEU 2 33.714 6.389 7.049 23 HD23 LEU 2 HD23 LEU 2 34.572 7.084 5.652 24 H ARG 3 HN ARG 3 36.738 6.519 10.660 25 HA ARG 3 HA ARG 3 38.696 6.286 11.866 26 HB2 ARG 3 HB2 ARG 3 40.125 5.615 9.269 27 HB3 ARG 3 HB1 ARG 3 40.575 5.147 10.917 28 HG2 ARG 3 HG2 ARG 3 37.953 4.268 9.634 29 HG3 ARG 3 HG1 ARG 3 39.453 3.334 9.481 30 HD2 ARG 3 HD2 ARG 3 38.023 4.060 12.077 31 HD3 ARG 3 HD1 ARG 3 38.160 2.447 11.348 32 HE ARG 3 HE ARG 3 40.797 3.423 11.735 33 HH11 ARG 3 HH11 ARG 3 38.694 4.070 14.121 34 HH12 ARG 3 HH12 ARG 3 39.267 2.897 15.259 35 HH21 ARG 3 HH21 ARG 3 41.255 1.239 12.952 36 HH22 ARG 3 HH22 ARG 3 40.716 1.295 14.597 37 H ARG 4 HN ARG 4 40.151 7.369 8.768 38 HA ARG 4 HA ARG 4 41.640 9.446 10.188 39 HB2 ARG 4 HB2 ARG 4 41.296 9.208 7.181 40 HB3 ARG 4 HB1 ARG 4 42.658 9.905 8.087 41 HG2 ARG 4 HG2 ARG 4 41.838 6.967 8.022 42 HG3 ARG 4 HG1 ARG 4 43.276 7.681 7.256 43 HD2 ARG 4 HD2 ARG 4 42.687 7.327 10.212 44 HD3 ARG 4 HD1 ARG 4 44.100 6.771 9.287 45 HE ARG 4 HE ARG 4 43.799 9.383 10.500 46 HH11 ARG 4 HH11 ARG 4 44.899 11.165 9.490 47 HH12 ARG 4 HH12 ARG 4 46.202 10.794 8.410 48 HH21 ARG 4 HH21 ARG 4 45.546 7.390 8.360 49 HH22 ARG 4 HH22 ARG 4 46.568 8.660 7.770 50 H ILE 5 HN ILE 5 38.516 9.359 9.854 51 HA ILE 5 HA ILE 5 36.825 10.919 9.546 52 HB ILE 5 HB ILE 5 38.959 13.035 10.059 53 HG12 ILE 5 HG12 ILE 5 37.518 11.201 12.031 54 HG13 ILE 5 HG11 ILE 5 39.267 11.245 11.709 55 HG21 ILE 5 HG21 ILE 5 37.146 14.308 10.973 56 HG22 ILE 5 HG22 ILE 5 36.064 12.894 10.995 57 HG23 ILE 5 HG23 ILE 5 36.532 13.637 9.446 58 HD11 ILE 5 HD1 ILE 5 39.131 13.754 12.400 59 HD12 ILE 5 HD2 ILE 5 39.015 12.532 13.688 60 HD13 ILE 5 HD3 ILE 5 37.543 13.330 13.088 61 H GLY 6 HN GLY 6 36.902 10.263 7.236 62 HA2 GLY 6 HA1 GLY 6 36.488 11.079 5.084 63 HA3 GLY 6 HA2 GLY 6 37.094 12.676 5.567 64 H LYS 7 HN LYS 7 38.063 9.363 4.686 65 HA LYS 7 HA LYS 7 40.863 9.851 4.479 66 HB2 LYS 7 HB2 LYS 7 39.201 7.952 2.779 67 HB3 LYS 7 HB1 LYS 7 40.937 7.824 3.149 68 HG2 LYS 7 HG2 LYS 7 40.249 7.753 5.631 69 HG3 LYS 7 HG1 LYS 7 38.584 7.509 5.056 70 HD2 LYS 7 HD2 LYS 7 40.993 5.742 4.430 71 HD3 LYS 7 HD1 LYS 7 39.640 5.335 5.512 72 HE2 LYS 7 HE2 LYS 7 39.618 5.648 2.491 73 HE3 LYS 7 HE1 LYS 7 39.093 4.257 3.467 74 HZ1 LYS 7 HZ1 LYS 7 37.764 6.904 3.222 75 HZ2 LYS 7 HZ2 LYS 7 37.344 5.759 4.404 76 HZ3 LYS 7 HZ3 LYS 7 37.157 5.390 2.757 77 H GLY 8 HN GLY 8 40.816 8.748 1.570 78 HA2 GLY 8 HA1 GLY 8 40.865 9.622 -0.590 79 HA3 GLY 8 HA2 GLY 8 40.003 11.063 -0.017 80 H VAL 9 HN VAL 9 41.574 12.037 -1.606 81 HA VAL 9 HA VAL 9 44.376 12.184 -0.775 82 HB VAL 9 HB VAL 9 42.898 14.019 -2.708 83 HG11 VAL 9 HG11 VAL 9 45.131 14.787 -2.008 84 HG12 VAL 9 HG12 VAL 9 45.179 14.228 -3.696 85 HG13 VAL 9 HG13 VAL 9 45.820 13.193 -2.397 86 HG21 VAL 9 HG21 VAL 9 44.329 11.375 -3.249 87 HG22 VAL 9 HG22 VAL 9 43.608 12.448 -4.473 88 HG23 VAL 9 HG23 VAL 9 42.566 11.616 -3.295 89 H LYS 10 HN LYS 10 41.907 14.764 -1.202 90 HA LYS 10 HA LYS 10 42.305 15.836 1.451 91 HB2 LYS 10 HB2 LYS 10 44.498 16.490 0.528 92 HB3 LYS 10 HB1 LYS 10 43.687 17.301 -0.833 93 HG2 LYS 10 HG2 LYS 10 42.664 18.922 0.624 94 HG3 LYS 10 HG1 LYS 10 43.140 18.011 2.077 95 HD2 LYS 10 HD2 LYS 10 44.647 19.929 1.758 96 HD3 LYS 10 HD1 LYS 10 45.538 18.408 1.520 97 HE2 LYS 10 HE2 LYS 10 45.608 18.676 -0.835 98 HE3 LYS 10 HE1 LYS 10 44.283 19.866 -0.835 99 HZ1 LYS 10 HZ1 LYS 10 45.956 21.186 0.657 100 HZ2 LYS 10 HZ2 LYS 10 46.094 21.219 -1.037 101 HZ3 LYS 10 HZ3 LYS 10 47.113 20.218 -0.118 102 H ILE 11 HN ILE 11 41.787 17.023 -1.914 103 HA ILE 11 HA ILE 11 39.570 18.718 -1.012 104 HB ILE 11 HB ILE 11 39.215 19.145 -3.429 105 HG12 ILE 11 HG12 ILE 11 41.534 17.178 -3.722 106 HG13 ILE 11 HG11 ILE 11 39.876 16.957 -4.328 107 HG21 ILE 11 HG21 ILE 11 42.175 19.344 -2.731 108 HG22 ILE 11 HG22 ILE 11 40.940 20.375 -1.969 109 HG23 ILE 11 HG23 ILE 11 41.210 20.461 -3.725 110 HD11 ILE 11 HD1 ILE 11 42.004 18.892 -5.300 111 HD12 ILE 11 HD2 ILE 11 40.280 19.171 -5.647 112 HD13 ILE 11 HD3 ILE 11 41.080 17.694 -6.233 113 H ILE 12 HN ILE 12 39.750 15.511 -1.164 114 HA ILE 12 HA ILE 12 37.416 14.835 -2.756 115 HB ILE 12 HB ILE 12 38.731 13.455 -0.403 116 HG12 ILE 12 HG12 ILE 12 40.382 13.713 -2.133 117 HG13 ILE 12 HG11 ILE 12 39.842 12.025 -2.198 118 HG21 ILE 12 HG21 ILE 12 36.564 12.587 -2.345 119 HG22 ILE 12 HG22 ILE 12 36.669 12.345 -0.589 120 HG23 ILE 12 HG23 ILE 12 37.668 11.360 -1.679 121 HD11 ILE 12 HD1 ILE 12 39.250 14.295 -4.120 122 HD12 ILE 12 HD2 ILE 12 38.141 12.910 -4.012 123 HD13 ILE 12 HD3 ILE 12 39.837 12.654 -4.470 124 H GLY 13 HN GLY 13 37.585 13.966 0.670 125 HA2 GLY 13 HA1 GLY 13 34.836 14.602 1.148 126 HA3 GLY 13 HA2 GLY 13 36.088 14.342 2.385 127 H GLY 14 HN GLY 14 37.456 16.409 0.375 128 HA2 GLY 14 HA1 GLY 14 36.876 18.759 2.099 129 HA3 GLY 14 HA2 GLY 14 38.112 18.634 0.828 130 H ALA 15 HN ALA 15 36.450 17.619 -1.260 131 HA ALA 15 HA ALA 15 34.961 20.153 -1.907 132 HB1 ALA 15 HB1 ALA 15 34.917 19.289 -4.191 133 HB2 ALA 15 HB2 ALA 15 35.620 17.745 -3.655 134 HB3 ALA 15 HB3 ALA 15 36.583 19.243 -3.574 135 H ALA 16 HN ALA 16 34.181 18.130 0.080 136 HA ALA 16 HA ALA 16 32.161 17.274 0.805 137 HB1 ALA 16 HB1 ALA 16 30.144 17.811 -0.252 138 HB2 ALA 16 HB2 ALA 16 30.848 17.731 -1.884 139 HB3 ALA 16 HB3 ALA 16 31.212 19.113 -0.824 140 H LEU 17 HN LEU 17 34.291 15.737 -0.311 141 HA LEU 17 HA LEU 17 34.623 13.522 -0.947 142 HB2 LEU 17 HB2 LEU 17 32.327 13.419 0.491 143 HB3 LEU 17 HB1 LEU 17 31.670 12.898 -1.073 144 HG LEU 17 HG LEU 17 34.076 11.624 0.324 145 HD11 LEU 17 HD11 LEU 17 31.935 11.266 1.540 146 HD12 LEU 17 HD12 LEU 17 32.536 9.761 0.803 147 HD13 LEU 17 HD13 LEU 17 31.198 10.654 0.040 148 HD21 LEU 17 HD21 LEU 17 33.675 9.817 -1.376 149 HD22 LEU 17 HD22 LEU 17 34.158 11.362 -2.114 150 HD23 LEU 17 HD23 LEU 17 32.451 10.854 -2.144 151 H ASP 18 HN ASP 18 34.599 15.468 -2.915 152 HA ASP 18 HA ASP 18 34.434 15.721 -5.214 153 HB2 ASP 18 HB2 ASP 18 35.613 13.498 -5.082 154 HB3 ASP 18 HB1 ASP 18 34.027 12.707 -5.241 155 H HIS 19 HN HIS 19 32.024 16.004 -3.645 156 HA HIS 19 HA HIS 19 29.725 16.147 -3.936 157 HB2 HIS 19 HB2 HIS 19 30.599 16.130 -6.852 158 HB3 HIS 19 HB1 HIS 19 28.967 16.558 -6.286 159 HD1 HIS 19 HD1 HIS 19 32.312 17.962 -6.880 160 HD2 HIS 19 HD2 HIS 19 29.024 18.888 -4.424 161 HE1 HIS 19 HE1 HIS 19 32.617 20.368 -6.075 162 H LEU 20 HN LEU 20 30.215 13.705 -3.160 163 HA LEU 20 HA LEU 20 28.159 12.144 -4.484 164 HB2 LEU 20 HB2 LEU 20 30.356 11.907 -5.924 165 HB3 LEU 20 HB1 LEU 20 30.899 10.843 -4.610 166 HG LEU 20 HG LEU 20 28.332 10.519 -6.236 167 HD11 LEU 20 HD11 LEU 20 29.454 8.552 -7.181 168 HD12 LEU 20 HD12 LEU 20 30.884 8.846 -6.161 169 HD13 LEU 20 HD13 LEU 20 30.457 9.997 -7.451 170 HD21 LEU 20 HD21 LEU 20 29.499 9.023 -3.855 171 HD22 LEU 20 HD22 LEU 20 28.423 8.202 -5.011 172 HD23 LEU 20 HD23 LEU 20 27.837 9.610 -4.099 Start of MODEL 18 1 H1 TRP 1 HT1 TRP 1 30.939 3.926 8.637 2 H2 TRP 1 HT2 TRP 1 30.874 5.533 9.188 3 H3 TRP 1 HT3 TRP 1 31.896 4.409 9.950 4 HA TRP 1 HA TRP 1 32.258 4.835 7.107 5 HB2 TRP 1 HB2 TRP 1 33.796 6.796 7.716 6 HB3 TRP 1 HB1 TRP 1 32.047 7.122 7.745 7 HD1 TRP 1 HD1 TRP 1 34.793 5.983 10.245 8 HE1 TRP 1 HE1 TRP 1 34.305 7.044 12.568 9 HE3 TRP 1 HE3 TRP 1 30.428 8.411 9.122 10 HZ2 TRP 1 HZ2 TRP 1 32.282 8.717 13.747 11 HZ3 TRP 1 HZ3 TRP 1 29.236 9.735 10.863 12 HH2 TRP 1 HH2 TRP 1 30.158 9.891 13.172 13 H LEU 2 HN LEU 2 34.478 4.497 6.531 14 HA LEU 2 HA LEU 2 35.719 2.440 8.178 15 HB2 LEU 2 HB2 LEU 2 37.041 3.874 5.850 16 HB3 LEU 2 HB1 LEU 2 37.266 2.195 6.397 17 HG LEU 2 HG LEU 2 34.762 3.373 5.113 18 HD11 LEU 2 HD11 LEU 2 36.599 2.915 3.535 19 HD12 LEU 2 HD12 LEU 2 35.294 1.723 3.323 20 HD13 LEU 2 HD13 LEU 2 36.778 1.272 4.197 21 HD21 LEU 2 HD21 LEU 2 33.993 1.764 6.717 22 HD22 LEU 2 HD22 LEU 2 35.344 0.657 6.369 23 HD23 LEU 2 HD23 LEU 2 34.049 0.890 5.169 24 H ARG 3 HN ARG 3 35.696 5.792 8.327 25 HA ARG 3 HA ARG 3 36.859 7.237 9.706 26 HB2 ARG 3 HB2 ARG 3 37.154 5.048 11.138 27 HB3 ARG 3 HB1 ARG 3 38.822 5.070 10.521 28 HG2 ARG 3 HG2 ARG 3 39.033 7.445 11.336 29 HG3 ARG 3 HG1 ARG 3 37.424 7.286 12.079 30 HD2 ARG 3 HD2 ARG 3 38.204 5.443 13.485 31 HD3 ARG 3 HD1 ARG 3 39.790 5.459 12.678 32 HE ARG 3 HE ARG 3 39.284 8.064 13.743 33 HH11 ARG 3 HH11 ARG 3 41.845 6.743 14.239 34 HH12 ARG 3 HH12 ARG 3 41.769 6.333 15.920 35 HH21 ARG 3 HH21 ARG 3 38.327 6.707 16.126 36 HH22 ARG 3 HH22 ARG 3 39.776 6.313 16.989 37 H ARG 4 HN ARG 4 38.775 4.947 7.774 38 HA ARG 4 HA ARG 4 41.037 6.762 7.492 39 HB2 ARG 4 HB2 ARG 4 40.201 4.365 5.806 40 HB3 ARG 4 HB1 ARG 4 41.791 5.168 5.771 41 HG2 ARG 4 HG2 ARG 4 42.204 4.569 8.099 42 HG3 ARG 4 HG1 ARG 4 40.562 3.899 8.255 43 HD2 ARG 4 HD2 ARG 4 42.132 2.061 7.898 44 HD3 ARG 4 HD1 ARG 4 41.120 2.244 6.446 45 HE ARG 4 HE ARG 4 43.409 3.823 6.001 46 HH11 ARG 4 HH11 ARG 4 44.533 2.834 4.204 47 HH12 ARG 4 HH12 ARG 4 45.040 1.190 4.397 48 HH21 ARG 4 HH21 ARG 4 43.238 0.698 7.319 49 HH22 ARG 4 HH22 ARG 4 44.306 -0.020 6.159 50 H ILE 5 HN ILE 5 38.114 5.968 5.638 51 HA ILE 5 HA ILE 5 38.853 7.669 3.377 52 HB ILE 5 HB ILE 5 37.319 5.706 3.149 53 HG12 ILE 5 HG12 ILE 5 35.974 8.377 2.514 54 HG13 ILE 5 HG11 ILE 5 37.278 7.650 1.548 55 HG21 ILE 5 HG21 ILE 5 36.185 6.182 5.407 56 HG22 ILE 5 HG22 ILE 5 35.105 5.727 4.070 57 HG23 ILE 5 HG23 ILE 5 35.244 7.432 4.560 58 HD11 ILE 5 HD1 ILE 5 35.754 5.558 1.386 59 HD12 ILE 5 HD2 ILE 5 35.273 6.990 0.448 60 HD13 ILE 5 HD3 ILE 5 34.454 6.618 1.983 61 H GLY 6 HN GLY 6 36.929 7.962 6.342 62 HA2 GLY 6 HA1 GLY 6 35.648 10.434 5.683 63 HA3 GLY 6 HA2 GLY 6 35.922 9.801 7.317 64 H LYS 7 HN LYS 7 38.887 9.655 6.726 65 HA LYS 7 HA LYS 7 39.671 12.057 7.961 66 HB2 LYS 7 HB2 LYS 7 41.031 9.905 7.574 67 HB3 LYS 7 HB1 LYS 7 41.393 10.551 5.959 68 HG2 LYS 7 HG2 LYS 7 43.224 11.392 7.150 69 HG3 LYS 7 HG1 LYS 7 42.088 12.745 7.342 70 HD2 LYS 7 HD2 LYS 7 41.371 11.782 9.546 71 HD3 LYS 7 HD1 LYS 7 42.579 10.493 9.346 72 HE2 LYS 7 HE2 LYS 7 43.544 12.243 10.737 73 HE3 LYS 7 HE1 LYS 7 44.354 12.271 9.152 74 HZ1 LYS 7 HZ1 LYS 7 41.964 13.929 9.476 75 HZ2 LYS 7 HZ2 LYS 7 43.382 14.225 8.589 76 HZ3 LYS 7 HZ3 LYS 7 43.371 14.441 10.274 77 H GLY 8 HN GLY 8 38.941 11.382 4.602 78 HA2 GLY 8 HA1 GLY 8 38.597 12.884 2.865 79 HA3 GLY 8 HA2 GLY 8 38.901 14.222 3.991 80 H VAL 9 HN VAL 9 39.868 13.152 1.158 81 HA VAL 9 HA VAL 9 42.736 12.924 1.459 82 HB VAL 9 HB VAL 9 41.056 13.690 -0.973 83 HG11 VAL 9 HG11 VAL 9 43.154 12.859 -2.194 84 HG12 VAL 9 HG12 VAL 9 43.995 12.966 -0.629 85 HG13 VAL 9 HG13 VAL 9 43.312 14.430 -1.374 86 HG21 VAL 9 HG21 VAL 9 40.538 11.453 -0.080 87 HG22 VAL 9 HG22 VAL 9 42.271 11.050 -0.040 88 HG23 VAL 9 HG23 VAL 9 41.452 11.305 -1.599 89 H LYS 10 HN LYS 10 41.242 15.445 -0.559 90 HA LYS 10 HA LYS 10 42.117 17.660 1.080 91 HB2 LYS 10 HB2 LYS 10 44.338 16.736 0.295 92 HB3 LYS 10 HB1 LYS 10 43.833 17.109 -1.370 93 HG2 LYS 10 HG2 LYS 10 43.552 19.486 -0.768 94 HG3 LYS 10 HG1 LYS 10 44.020 19.125 0.912 95 HD2 LYS 10 HD2 LYS 10 46.221 18.264 0.067 96 HD3 LYS 10 HD1 LYS 10 45.753 18.778 -1.572 97 HE2 LYS 10 HE2 LYS 10 47.136 20.517 -0.535 98 HE3 LYS 10 HE1 LYS 10 45.472 21.116 -0.724 99 HZ1 LYS 10 HZ1 LYS 10 46.893 21.121 1.586 100 HZ2 LYS 10 HZ2 LYS 10 45.926 19.735 1.764 101 HZ3 LYS 10 HZ3 LYS 10 45.205 21.246 1.475 102 H ILE 11 HN ILE 11 41.009 16.244 -1.903 103 HA ILE 11 HA ILE 11 39.685 18.859 -2.622 104 HB ILE 11 HB ILE 11 40.704 16.837 -4.660 105 HG12 ILE 11 HG12 ILE 11 42.041 19.389 -3.643 106 HG13 ILE 11 HG11 ILE 11 42.639 17.729 -3.417 107 HG21 ILE 11 HG21 ILE 11 38.826 18.525 -5.188 108 HG22 ILE 11 HG22 ILE 11 40.243 18.560 -6.260 109 HG23 ILE 11 HG23 ILE 11 40.055 19.796 -4.992 110 HD11 ILE 11 HD1 ILE 11 42.579 17.566 -6.018 111 HD12 ILE 11 HD2 ILE 11 43.874 18.535 -5.276 112 HD13 ILE 11 HD3 ILE 11 42.456 19.342 -5.984 113 H ILE 12 HN ILE 12 39.747 15.308 -3.088 114 HA ILE 12 HA ILE 12 36.918 15.278 -3.902 115 HB ILE 12 HB ILE 12 38.866 13.060 -3.183 116 HG12 ILE 12 HG12 ILE 12 37.971 13.721 -6.020 117 HG13 ILE 12 HG11 ILE 12 39.268 14.677 -5.272 118 HG21 ILE 12 HG21 ILE 12 36.007 13.054 -4.197 119 HG22 ILE 12 HG22 ILE 12 36.791 11.969 -3.026 120 HG23 ILE 12 HG23 ILE 12 37.101 11.771 -4.760 121 HD11 ILE 12 HD1 ILE 12 39.253 11.648 -5.653 122 HD12 ILE 12 HD2 ILE 12 40.519 12.561 -4.798 123 HD13 ILE 12 HD3 ILE 12 40.248 12.827 -6.536 124 H GLY 13 HN GLY 13 38.137 12.845 -1.660 125 HA2 GLY 13 HA1 GLY 13 35.895 13.028 0.086 126 HA3 GLY 13 HA2 GLY 13 37.467 12.302 0.492 127 H GLY 14 HN GLY 14 38.329 15.084 -0.623 128 HA2 GLY 14 HA1 GLY 14 38.689 16.346 2.017 129 HA3 GLY 14 HA2 GLY 14 39.362 16.889 0.463 130 H ALA 15 HN ALA 15 37.137 17.124 -1.168 131 HA ALA 15 HA ALA 15 35.788 19.461 0.158 132 HB1 ALA 15 HB1 ALA 15 35.427 18.452 -2.687 133 HB2 ALA 15 HB2 ALA 15 36.718 19.585 -2.208 134 HB3 ALA 15 HB3 ALA 15 35.012 20.050 -2.027 135 H ALA 16 HN ALA 16 35.406 16.704 0.993 136 HA ALA 16 HA ALA 16 33.620 15.472 1.782 137 HB1 ALA 16 HB1 ALA 16 32.456 17.826 1.722 138 HB2 ALA 16 HB2 ALA 16 31.455 16.360 1.854 139 HB3 ALA 16 HB3 ALA 16 31.624 17.186 0.286 140 H LEU 17 HN LEU 17 35.069 14.590 -0.364 141 HA LEU 17 HA LEU 17 34.916 13.027 -2.078 142 HB2 LEU 17 HB2 LEU 17 31.939 12.808 -1.495 143 HB3 LEU 17 HB1 LEU 17 32.971 11.617 -2.305 144 HG LEU 17 HG LEU 17 33.637 12.479 0.537 145 HD11 LEU 17 HD11 LEU 17 32.251 10.554 1.347 146 HD12 LEU 17 HD12 LEU 17 31.570 10.396 -0.290 147 HD13 LEU 17 HD13 LEU 17 31.274 11.872 0.658 148 HD21 LEU 17 HD21 LEU 17 33.891 9.778 -0.856 149 HD22 LEU 17 HD22 LEU 17 34.680 10.303 0.649 150 HD23 LEU 17 HD23 LEU 17 35.167 11.013 -0.906 151 H ASP 18 HN ASP 18 34.974 15.593 -2.870 152 HA ASP 18 HA ASP 18 34.524 16.950 -4.685 153 HB2 ASP 18 HB2 ASP 18 34.941 14.746 -5.879 154 HB3 ASP 18 HB1 ASP 18 33.177 14.528 -5.937 155 H HIS 19 HN HIS 19 31.655 14.820 -5.005 156 HA HIS 19 HA HIS 19 29.885 16.811 -3.799 157 HB2 HIS 19 HB2 HIS 19 28.575 17.162 -5.940 158 HB3 HIS 19 HB1 HIS 19 30.166 17.959 -5.900 159 HD1 HIS 19 HD1 HIS 19 30.034 14.234 -6.382 160 HD2 HIS 19 HD2 HIS 19 30.295 17.676 -8.785 161 HE1 HIS 19 HE1 HIS 19 30.751 13.481 -8.715 162 H LEU 20 HN LEU 20 30.630 13.907 -3.709 163 HA LEU 20 HA LEU 20 28.423 12.410 -4.829 164 HB2 LEU 20 HB2 LEU 20 30.800 11.647 -3.936 165 HB3 LEU 20 HB1 LEU 20 29.961 11.497 -2.377 166 HG LEU 20 HG LEU 20 29.213 10.110 -4.994 167 HD11 LEU 20 HD11 LEU 20 30.174 9.014 -2.314 168 HD12 LEU 20 HD12 LEU 20 31.187 9.191 -3.768 169 HD13 LEU 20 HD13 LEU 20 29.809 8.063 -3.773 170 HD21 LEU 20 HD21 LEU 20 27.136 10.549 -3.900 171 HD22 LEU 20 HD22 LEU 20 27.830 10.263 -2.284 172 HD23 LEU 20 HD23 LEU 20 27.563 8.899 -3.395 Start of MODEL 19 1 H1 TRP 1 HT1 TRP 1 36.415 17.028 15.244 2 H2 TRP 1 HT2 TRP 1 35.413 17.548 13.975 3 H3 TRP 1 HT3 TRP 1 36.672 18.545 14.533 4 HA TRP 1 HA TRP 1 37.555 17.699 12.635 5 HB2 TRP 1 HB2 TRP 1 38.312 15.773 14.868 6 HB3 TRP 1 HB1 TRP 1 39.230 16.020 13.364 7 HD1 TRP 1 HD1 TRP 1 40.785 18.074 13.219 8 HE1 TRP 1 HE1 TRP 1 41.457 20.000 14.831 9 HE3 TRP 1 HE3 TRP 1 37.276 17.328 16.872 10 HZ2 TRP 1 HZ2 TRP 1 40.567 21.049 17.361 11 HZ3 TRP 1 HZ3 TRP 1 37.207 18.802 18.875 12 HH2 TRP 1 HH2 TRP 1 38.847 20.661 19.124 13 H LEU 2 HN LEU 2 38.124 15.710 11.326 14 HA LEU 2 HA LEU 2 35.678 14.352 10.631 15 HB2 LEU 2 HB2 LEU 2 38.480 13.451 9.875 16 HB3 LEU 2 HB1 LEU 2 36.968 13.239 8.961 17 HG LEU 2 HG LEU 2 38.375 15.886 9.535 18 HD11 LEU 2 HD11 LEU 2 37.923 14.317 6.957 19 HD12 LEU 2 HD12 LEU 2 39.474 14.485 7.815 20 HD13 LEU 2 HD13 LEU 2 38.704 15.911 7.078 21 HD21 LEU 2 HD21 LEU 2 35.717 15.193 8.214 22 HD22 LEU 2 HD22 LEU 2 36.582 16.703 7.840 23 HD23 LEU 2 HD23 LEU 2 36.038 16.380 9.500 24 H ARG 3 HN ARG 3 37.800 13.908 13.184 25 HA ARG 3 HA ARG 3 37.918 12.271 14.805 26 HB2 ARG 3 HB2 ARG 3 35.375 12.100 14.228 27 HB3 ARG 3 HB1 ARG 3 35.821 10.614 13.359 28 HG2 ARG 3 HG2 ARG 3 36.939 9.791 15.466 29 HG3 ARG 3 HG1 ARG 3 36.296 11.220 16.309 30 HD2 ARG 3 HD2 ARG 3 33.987 10.539 15.685 31 HD3 ARG 3 HD1 ARG 3 34.642 9.092 14.882 32 HE ARG 3 HE ARG 3 34.720 8.114 17.018 33 HH11 ARG 3 HH11 ARG 3 33.448 11.032 17.690 34 HH12 ARG 3 HH12 ARG 3 34.247 11.285 19.205 35 HH21 ARG 3 HH21 ARG 3 36.455 8.645 18.784 36 HH22 ARG 3 HH22 ARG 3 35.950 9.935 19.824 37 H ARG 4 HN ARG 4 37.058 10.325 11.897 38 HA ARG 4 HA ARG 4 39.114 8.383 12.447 39 HB2 ARG 4 HB2 ARG 4 36.970 8.075 11.075 40 HB3 ARG 4 HB1 ARG 4 37.812 8.913 9.751 41 HG2 ARG 4 HG2 ARG 4 39.576 7.218 9.736 42 HG3 ARG 4 HG1 ARG 4 38.865 6.418 11.159 43 HD2 ARG 4 HD2 ARG 4 36.746 6.085 9.802 44 HD3 ARG 4 HD1 ARG 4 37.644 6.671 8.381 45 HE ARG 4 HE ARG 4 37.818 4.023 9.452 46 HH11 ARG 4 HH11 ARG 4 38.915 5.544 6.870 47 HH12 ARG 4 HH12 ARG 4 40.561 5.006 6.931 48 HH21 ARG 4 HH21 ARG 4 40.317 3.782 10.167 49 HH22 ARG 4 HH22 ARG 4 41.354 4.008 8.799 50 H ILE 5 HN ILE 5 39.202 11.528 11.170 51 HA ILE 5 HA ILE 5 40.716 12.644 9.764 52 HB ILE 5 HB ILE 5 43.053 12.551 10.702 53 HG12 ILE 5 HG12 ILE 5 41.853 10.526 12.652 54 HG13 ILE 5 HG11 ILE 5 42.918 10.077 11.302 55 HG21 ILE 5 HG21 ILE 5 41.163 13.961 11.655 56 HG22 ILE 5 HG22 ILE 5 42.444 13.558 12.817 57 HG23 ILE 5 HG23 ILE 5 40.898 12.677 12.857 58 HD11 ILE 5 HD1 ILE 5 43.575 11.728 13.764 59 HD12 ILE 5 HD2 ILE 5 44.589 11.809 12.303 60 HD13 ILE 5 HD3 ILE 5 44.382 10.265 13.159 61 H GLY 6 HN GLY 6 39.928 10.533 8.284 62 HA2 GLY 6 HA1 GLY 6 42.338 10.034 6.687 63 HA3 GLY 6 HA2 GLY 6 41.656 8.577 7.439 64 H LYS 7 HN LYS 7 38.882 9.628 7.293 65 HA LYS 7 HA LYS 7 38.328 8.655 4.588 66 HB2 LYS 7 HB2 LYS 7 35.954 9.045 5.217 67 HB3 LYS 7 HB1 LYS 7 36.830 8.084 6.432 68 HG2 LYS 7 HG2 LYS 7 37.194 10.146 7.782 69 HG3 LYS 7 HG1 LYS 7 36.268 11.080 6.583 70 HD2 LYS 7 HD2 LYS 7 34.335 9.459 6.976 71 HD3 LYS 7 HD1 LYS 7 35.260 8.821 8.357 72 HE2 LYS 7 HE2 LYS 7 35.380 11.170 9.273 73 HE3 LYS 7 HE1 LYS 7 34.287 11.682 7.967 74 HZ1 LYS 7 HZ1 LYS 7 32.671 10.042 8.766 75 HZ2 LYS 7 HZ2 LYS 7 33.044 11.191 9.961 76 HZ3 LYS 7 HZ3 LYS 7 33.706 9.628 10.044 77 H GLY 8 HN GLY 8 39.946 10.980 4.526 78 HA2 GLY 8 HA1 GLY 8 38.364 12.577 2.691 79 HA3 GLY 8 HA2 GLY 8 38.674 13.436 4.213 80 H VAL 9 HN VAL 9 39.759 12.986 1.122 81 HA VAL 9 HA VAL 9 42.615 12.879 1.571 82 HB VAL 9 HB VAL 9 41.072 13.940 -0.840 83 HG11 VAL 9 HG11 VAL 9 43.257 13.295 -2.003 84 HG12 VAL 9 HG12 VAL 9 43.978 13.148 -0.383 85 HG13 VAL 9 HG13 VAL 9 43.358 14.718 -0.941 86 HG21 VAL 9 HG21 VAL 9 42.226 11.193 -0.187 87 HG22 VAL 9 HG22 VAL 9 41.541 11.667 -1.760 88 HG23 VAL 9 HG23 VAL 9 40.500 11.606 -0.318 89 H LYS 10 HN LYS 10 41.365 15.590 -0.310 90 HA LYS 10 HA LYS 10 41.740 17.599 1.726 91 HB2 LYS 10 HB2 LYS 10 44.134 16.817 1.351 92 HB3 LYS 10 HB1 LYS 10 43.992 17.434 -0.311 93 HG2 LYS 10 HG2 LYS 10 43.438 19.686 0.575 94 HG3 LYS 10 HG1 LYS 10 43.597 19.069 2.236 95 HD2 LYS 10 HD2 LYS 10 45.951 18.545 1.872 96 HD3 LYS 10 HD1 LYS 10 45.819 18.985 0.152 97 HE2 LYS 10 HE2 LYS 10 46.826 20.829 1.475 98 HE3 LYS 10 HE1 LYS 10 45.260 21.312 0.781 99 HZ1 LYS 10 HZ1 LYS 10 45.354 20.120 3.475 100 HZ2 LYS 10 HZ2 LYS 10 44.228 21.209 2.815 101 HZ3 LYS 10 HZ3 LYS 10 45.771 21.752 3.275 102 H ILE 11 HN ILE 11 41.405 16.558 -1.591 103 HA ILE 11 HA ILE 11 40.210 19.247 -2.280 104 HB ILE 11 HB ILE 11 41.670 17.447 -4.250 105 HG12 ILE 11 HG12 ILE 11 42.734 19.825 -2.654 106 HG13 ILE 11 HG11 ILE 11 43.284 18.137 -2.527 107 HG21 ILE 11 HG21 ILE 11 41.107 20.440 -4.376 108 HG22 ILE 11 HG22 ILE 11 39.955 19.229 -4.988 109 HG23 ILE 11 HG23 ILE 11 41.578 19.353 -5.704 110 HD11 ILE 11 HD1 ILE 11 44.888 19.162 -3.946 111 HD12 ILE 11 HD2 ILE 11 43.649 20.077 -4.833 112 HD13 ILE 11 HD3 ILE 11 43.800 18.319 -5.074 113 H ILE 12 HN ILE 12 40.358 15.748 -3.047 114 HA ILE 12 HA ILE 12 37.733 15.931 -4.433 115 HB ILE 12 HB ILE 12 39.553 13.560 -3.874 116 HG12 ILE 12 HG12 ILE 12 39.204 15.146 -6.466 117 HG13 ILE 12 HG11 ILE 12 40.530 15.421 -5.315 118 HG21 ILE 12 HG21 ILE 12 37.307 12.776 -4.321 119 HG22 ILE 12 HG22 ILE 12 38.213 12.567 -5.831 120 HG23 ILE 12 HG23 ILE 12 37.097 13.940 -5.648 121 HD11 ILE 12 HD1 ILE 12 41.566 13.929 -6.786 122 HD12 ILE 12 HD2 ILE 12 40.057 13.073 -7.160 123 HD13 ILE 12 HD3 ILE 12 40.891 12.771 -5.617 124 H GLY 13 HN GLY 13 38.633 13.090 -2.537 125 HA2 GLY 13 HA1 GLY 13 36.117 12.985 -1.181 126 HA3 GLY 13 HA2 GLY 13 37.600 12.130 -0.696 127 H GLY 14 HN GLY 14 38.638 15.057 -1.072 128 HA2 GLY 14 HA1 GLY 14 38.573 15.744 1.796 129 HA3 GLY 14 HA2 GLY 14 39.504 16.550 0.515 130 H ALA 15 HN ALA 15 37.583 17.188 -1.380 131 HA ALA 15 HA ALA 15 36.129 19.336 0.112 132 HB1 ALA 15 HB1 ALA 15 36.080 18.714 -2.862 133 HB2 ALA 15 HB2 ALA 15 37.299 19.759 -2.085 134 HB3 ALA 15 HB3 ALA 15 35.581 20.219 -2.058 135 H ALA 16 HN ALA 16 35.566 16.459 0.439 136 HA ALA 16 HA ALA 16 33.644 15.263 0.903 137 HB1 ALA 16 HB1 ALA 16 31.527 16.247 0.867 138 HB2 ALA 16 HB2 ALA 16 31.878 17.216 -0.585 139 HB3 ALA 16 HB3 ALA 16 32.580 17.675 0.985 140 H LEU 17 HN LEU 17 35.352 14.780 -1.313 141 HA LEU 17 HA LEU 17 35.332 13.579 -3.313 142 HB2 LEU 17 HB2 LEU 17 33.775 12.188 -1.728 143 HB3 LEU 17 HB1 LEU 17 32.455 12.814 -2.736 144 HG LEU 17 HG LEU 17 34.026 11.965 -4.750 145 HD11 LEU 17 HD11 LEU 17 35.873 11.305 -3.139 146 HD12 LEU 17 HD12 LEU 17 35.318 9.986 -4.192 147 HD13 LEU 17 HD13 LEU 17 34.785 10.054 -2.497 148 HD21 LEU 17 HD21 LEU 17 32.844 9.774 -4.670 149 HD22 LEU 17 HD22 LEU 17 31.751 11.124 -4.284 150 HD23 LEU 17 HD23 LEU 17 32.386 10.092 -2.981 151 H ASP 18 HN ASP 18 34.217 16.392 -3.141 152 HA ASP 18 HA ASP 18 33.283 17.929 -4.600 153 HB2 ASP 18 HB2 ASP 18 33.616 15.763 -6.708 154 HB3 ASP 18 HB1 ASP 18 33.531 17.522 -6.968 155 H HIS 19 HN HIS 19 31.650 15.441 -3.464 156 HA HIS 19 HA HIS 19 29.098 16.443 -4.371 157 HB2 HIS 19 HB2 HIS 19 29.707 15.194 -6.423 158 HB3 HIS 19 HB1 HIS 19 29.924 13.718 -5.452 159 HD1 HIS 19 HD1 HIS 19 27.915 12.258 -5.271 160 HD2 HIS 19 HD2 HIS 19 26.878 16.278 -5.934 161 HE1 HIS 19 HE1 HIS 19 25.375 12.358 -5.521 162 H LEU 20 HN LEU 20 30.873 13.599 -3.137 163 HA LEU 20 HA LEU 20 30.553 12.377 -1.198 164 HB2 LEU 20 HB2 LEU 20 30.023 14.839 -0.343 165 HB3 LEU 20 HB1 LEU 20 28.353 14.238 -0.255 166 HG LEU 20 HG LEU 20 30.800 13.063 1.141 167 HD11 LEU 20 HD11 LEU 20 29.792 15.142 2.121 168 HD12 LEU 20 HD12 LEU 20 29.631 13.725 3.187 169 HD13 LEU 20 HD13 LEU 20 28.234 14.291 2.240 170 HD21 LEU 20 HD21 LEU 20 28.979 11.571 2.217 171 HD22 LEU 20 HD22 LEU 20 29.443 11.182 0.546 172 HD23 LEU 20 HD23 LEU 20 27.933 12.069 0.867 Start of MODEL 20 1 H1 TRP 1 HT1 TRP 1 41.828 2.614 13.149 2 H2 TRP 1 HT2 TRP 1 42.913 3.101 11.935 3 H3 TRP 1 HT3 TRP 1 41.861 1.793 11.666 4 HA TRP 1 HA TRP 1 41.098 3.732 10.517 5 HB2 TRP 1 HB2 TRP 1 38.813 3.831 11.561 6 HB3 TRP 1 HB1 TRP 1 39.408 2.174 11.294 7 HD1 TRP 1 HD1 TRP 1 38.442 4.620 14.009 8 HE1 TRP 1 HE1 TRP 1 38.523 3.461 16.336 9 HE3 TRP 1 HE3 TRP 1 40.709 0.236 12.649 10 HZ2 TRP 1 HZ2 TRP 1 39.454 0.963 17.426 11 HZ3 TRP 1 HZ3 TRP 1 41.184 -1.521 14.349 12 HH2 TRP 1 HH2 TRP 1 40.560 -1.161 16.734 13 H LEU 2 HN LEU 2 40.962 5.899 10.405 14 HA LEU 2 HA LEU 2 42.071 7.473 12.557 15 HB2 LEU 2 HB2 LEU 2 40.443 8.540 10.229 16 HB3 LEU 2 HB1 LEU 2 41.746 9.354 11.126 17 HG LEU 2 HG LEU 2 42.037 6.917 9.314 18 HD11 LEU 2 HD11 LEU 2 43.413 8.481 7.950 19 HD12 LEU 2 HD12 LEU 2 43.023 9.796 9.085 20 HD13 LEU 2 HD13 LEU 2 41.734 9.050 8.111 21 HD21 LEU 2 HD21 LEU 2 43.649 6.613 11.045 22 HD22 LEU 2 HD22 LEU 2 43.979 8.358 11.167 23 HD23 LEU 2 HD23 LEU 2 44.550 7.438 9.755 24 H ARG 3 HN ARG 3 38.897 7.969 11.001 25 HA ARG 3 HA ARG 3 37.579 8.048 13.680 26 HB2 ARG 3 HB2 ARG 3 37.658 10.350 11.685 27 HB3 ARG 3 HB1 ARG 3 36.439 10.213 12.976 28 HG2 ARG 3 HG2 ARG 3 38.257 10.130 14.671 29 HG3 ARG 3 HG1 ARG 3 39.462 10.310 13.375 30 HD2 ARG 3 HD2 ARG 3 39.021 12.498 14.392 31 HD3 ARG 3 HD1 ARG 3 38.399 12.477 12.726 32 HE ARG 3 HE ARG 3 36.333 11.692 14.586 33 HH11 ARG 3 HH11 ARG 3 34.551 13.135 14.289 34 HH12 ARG 3 HH12 ARG 3 34.884 14.832 14.217 35 HH21 ARG 3 HH21 ARG 3 38.326 14.420 14.112 36 HH22 ARG 3 HH22 ARG 3 37.022 15.562 14.118 37 H ARG 4 HN ARG 4 37.730 7.433 10.349 38 HA ARG 4 HA ARG 4 35.294 5.917 10.349 39 HB2 ARG 4 HB2 ARG 4 34.514 8.430 10.206 40 HB3 ARG 4 HB1 ARG 4 35.100 8.346 8.530 41 HG2 ARG 4 HG2 ARG 4 33.633 6.340 8.161 42 HG3 ARG 4 HG1 ARG 4 33.004 6.533 9.814 43 HD2 ARG 4 HD2 ARG 4 31.503 7.589 8.141 44 HD3 ARG 4 HD1 ARG 4 32.191 8.797 9.254 45 HE ARG 4 HE ARG 4 33.959 8.761 7.102 46 HH11 ARG 4 HH11 ARG 4 30.909 8.097 6.198 47 HH12 ARG 4 HH12 ARG 4 30.562 9.611 5.432 48 HH21 ARG 4 HH21 ARG 4 33.379 11.195 6.692 49 HH22 ARG 4 HH22 ARG 4 31.961 11.366 5.711 50 H ILE 5 HN ILE 5 38.264 6.167 9.588 51 HA ILE 5 HA ILE 5 39.626 5.300 7.929 52 HB ILE 5 HB ILE 5 37.135 4.110 6.633 53 HG12 ILE 5 HG12 ILE 5 38.758 3.104 9.017 54 HG13 ILE 5 HG11 ILE 5 37.049 3.595 9.031 55 HG21 ILE 5 HG21 ILE 5 38.650 2.463 5.777 56 HG22 ILE 5 HG22 ILE 5 39.955 2.982 6.872 57 HG23 ILE 5 HG23 ILE 5 39.457 4.027 5.519 58 HD11 ILE 5 HD1 ILE 5 36.966 1.227 8.885 59 HD12 ILE 5 HD2 ILE 5 38.308 1.163 7.719 60 HD13 ILE 5 HD3 ILE 5 36.711 1.766 7.208 61 H GLY 6 HN GLY 6 40.275 7.203 6.986 62 HA2 GLY 6 HA1 GLY 6 40.578 8.587 5.148 63 HA3 GLY 6 HA2 GLY 6 39.398 7.609 4.253 64 H LYS 7 HN LYS 7 39.286 9.684 7.185 65 HA LYS 7 HA LYS 7 36.656 10.587 6.897 66 HB2 LYS 7 HB2 LYS 7 37.345 12.564 8.200 67 HB3 LYS 7 HB1 LYS 7 38.082 11.080 8.853 68 HG2 LYS 7 HG2 LYS 7 40.128 11.607 7.408 69 HG3 LYS 7 HG1 LYS 7 39.396 13.201 7.106 70 HD2 LYS 7 HD2 LYS 7 40.018 12.052 9.865 71 HD3 LYS 7 HD1 LYS 7 41.015 13.251 9.009 72 HE2 LYS 7 HE2 LYS 7 38.820 14.667 8.877 73 HE3 LYS 7 HE1 LYS 7 38.220 13.574 10.149 74 HZ1 LYS 7 HZ1 LYS 7 39.239 15.481 11.150 75 HZ2 LYS 7 HZ2 LYS 7 40.670 15.262 10.258 76 HZ3 LYS 7 HZ3 LYS 7 40.224 14.132 11.447 77 H GLY 8 HN GLY 8 39.447 11.362 4.977 78 HA2 GLY 8 HA1 GLY 8 37.968 12.555 2.898 79 HA3 GLY 8 HA2 GLY 8 38.536 13.881 3.932 80 H VAL 9 HN VAL 9 39.778 14.641 2.131 81 HA VAL 9 HA VAL 9 42.445 13.308 2.024 82 HB VAL 9 HB VAL 9 40.830 14.006 -0.476 83 HG11 VAL 9 HG11 VAL 9 43.142 14.579 -0.865 84 HG12 VAL 9 HG12 VAL 9 42.888 12.983 -1.608 85 HG13 VAL 9 HG13 VAL 9 43.710 13.111 -0.034 86 HG21 VAL 9 HG21 VAL 9 41.814 11.373 0.712 87 HG22 VAL 9 HG22 VAL 9 41.157 11.539 -0.934 88 HG23 VAL 9 HG23 VAL 9 40.123 11.875 0.472 89 H LYS 10 HN LYS 10 41.122 15.756 -0.191 90 HA LYS 10 HA LYS 10 42.057 18.032 1.323 91 HB2 LYS 10 HB2 LYS 10 44.255 16.942 0.681 92 HB3 LYS 10 HB1 LYS 10 43.825 17.241 -1.021 93 HG2 LYS 10 HG2 LYS 10 43.639 19.666 -0.555 94 HG3 LYS 10 HG1 LYS 10 44.060 19.372 1.150 95 HD2 LYS 10 HD2 LYS 10 46.251 18.490 0.494 96 HD3 LYS 10 HD1 LYS 10 45.832 18.659 -1.228 97 HE2 LYS 10 HE2 LYS 10 45.531 21.129 -0.855 98 HE3 LYS 10 HE1 LYS 10 46.117 20.908 0.811 99 HZ1 LYS 10 HZ1 LYS 10 48.167 21.053 0.018 100 HZ2 LYS 10 HZ2 LYS 10 47.608 21.129 -1.584 101 HZ3 LYS 10 HZ3 LYS 10 47.927 19.624 -0.862 102 H ILE 11 HN ILE 11 40.977 16.469 -1.599 103 HA ILE 11 HA ILE 11 39.698 19.045 -2.465 104 HB ILE 11 HB ILE 11 41.004 17.128 -4.438 105 HG12 ILE 11 HG12 ILE 11 42.120 19.717 -3.259 106 HG13 ILE 11 HG11 ILE 11 42.768 18.082 -2.989 107 HG21 ILE 11 HG21 ILE 11 40.249 20.062 -4.765 108 HG22 ILE 11 HG22 ILE 11 39.104 18.741 -5.102 109 HG23 ILE 11 HG23 ILE 11 40.611 18.870 -6.036 110 HD11 ILE 11 HD1 ILE 11 44.141 18.971 -4.709 111 HD12 ILE 11 HD2 ILE 11 42.762 19.717 -5.549 112 HD13 ILE 11 HD3 ILE 11 42.974 17.948 -5.581 113 H ILE 12 HN ILE 12 39.969 15.506 -2.839 114 HA ILE 12 HA ILE 12 37.228 15.341 -3.951 115 HB ILE 12 HB ILE 12 39.214 13.193 -3.126 116 HG12 ILE 12 HG12 ILE 12 38.554 14.216 -5.930 117 HG13 ILE 12 HG11 ILE 12 39.946 14.784 -4.984 118 HG21 ILE 12 HG21 ILE 12 37.784 11.762 -4.681 119 HG22 ILE 12 HG22 ILE 12 36.622 13.106 -4.739 120 HG23 ILE 12 HG23 ILE 12 36.961 12.284 -3.201 121 HD11 ILE 12 HD1 ILE 12 40.940 13.080 -6.248 122 HD12 ILE 12 HD2 ILE 12 39.477 12.075 -6.251 123 HD13 ILE 12 HD3 ILE 12 40.488 12.171 -4.790 124 H GLY 13 HN GLY 13 38.479 12.988 -1.617 125 HA2 GLY 13 HA1 GLY 13 36.085 13.026 -0.032 126 HA3 GLY 13 HA2 GLY 13 37.658 12.353 0.459 127 H GLY 14 HN GLY 14 38.455 15.184 -0.600 128 HA2 GLY 14 HA1 GLY 14 38.640 16.438 2.063 129 HA3 GLY 14 HA2 GLY 14 39.365 17.019 0.546 130 H ALA 15 HN ALA 15 37.206 17.150 -1.184 131 HA ALA 15 HA ALA 15 35.741 19.464 0.019 132 HB1 ALA 15 HB1 ALA 15 35.482 18.230 -2.752 133 HB2 ALA 15 HB2 ALA 15 36.612 19.545 -2.333 134 HB3 ALA 15 HB3 ALA 15 34.857 19.805 -2.214 135 H ALA 16 HN ALA 16 35.491 16.657 0.935 136 HA ALA 16 HA ALA 16 33.769 15.407 1.822 137 HB1 ALA 16 HB1 ALA 16 31.666 17.008 0.350 138 HB2 ALA 16 HB2 ALA 16 32.527 17.727 1.730 139 HB3 ALA 16 HB3 ALA 16 31.585 16.233 1.950 140 H LEU 17 HN LEU 17 35.196 14.636 -0.467 141 HA LEU 17 HA LEU 17 34.994 12.980 -2.100 142 HB2 LEU 17 HB2 LEU 17 33.103 12.244 -0.314 143 HB3 LEU 17 HB1 LEU 17 32.024 12.629 -1.661 144 HG LEU 17 HG LEU 17 32.560 10.264 -1.733 145 HD11 LEU 17 HD11 LEU 17 33.518 10.072 -3.991 146 HD12 LEU 17 HD12 LEU 17 34.130 11.737 -3.893 147 HD13 LEU 17 HD13 LEU 17 32.377 11.430 -3.901 148 HD21 LEU 17 HD21 LEU 17 34.924 10.776 -0.532 149 HD22 LEU 17 HD22 LEU 17 35.513 10.722 -2.209 150 HD23 LEU 17 HD23 LEU 17 34.679 9.317 -1.517 151 H ASP 18 HN ASP 18 35.036 15.507 -2.956 152 HA ASP 18 HA ASP 18 34.517 16.842 -4.769 153 HB2 ASP 18 HB2 ASP 18 34.769 14.613 -5.963 154 HB3 ASP 18 HB1 ASP 18 32.999 14.459 -5.892 155 H HIS 19 HN HIS 19 31.564 14.809 -4.843 156 HA HIS 19 HA HIS 19 29.958 16.892 -3.552 157 HB2 HIS 19 HB2 HIS 19 28.517 17.334 -5.512 158 HB3 HIS 19 HB1 HIS 19 30.188 17.873 -5.803 159 HD1 HIS 19 HD1 HIS 19 30.743 14.473 -6.035 160 HD2 HIS 19 HD2 HIS 19 28.514 17.068 -8.481 161 HE1 HIS 19 HE1 HIS 19 30.571 13.386 -8.340 162 H LEU 20 HN LEU 20 30.324 14.358 -2.721 163 HA LEU 20 HA LEU 20 29.230 12.375 -2.239 164 HB2 LEU 20 HB2 LEU 20 27.542 14.331 -1.632 165 HB3 LEU 20 HB1 LEU 20 26.598 13.680 -2.989 166 HG LEU 20 HG LEU 20 27.521 12.160 -0.507 167 HD11 LEU 20 HD11 LEU 20 24.764 12.946 -1.553 168 HD12 LEU 20 HD12 LEU 20 25.594 13.660 -0.150 169 HD13 LEU 20 HD13 LEU 20 25.074 11.958 -0.106 170 HD21 LEU 20 HD21 LEU 20 27.620 10.573 -2.291 171 HD22 LEU 20 HD22 LEU 20 26.173 11.246 -3.081 172 HD23 LEU 20 HD23 LEU 20 26.017 10.331 -1.563 Start of MODEL 21 1 H1 TRP 1 HT1 TRP 1 41.716 10.674 7.880 2 H2 TRP 1 HT2 TRP 1 42.076 12.331 7.769 3 H3 TRP 1 HT3 TRP 1 40.780 11.802 8.732 4 HA TRP 1 HA TRP 1 42.130 10.912 10.338 5 HB2 TRP 1 HB2 TRP 1 44.628 11.381 8.677 6 HB3 TRP 1 HB1 TRP 1 44.366 10.252 10.032 7 HD1 TRP 1 HD1 TRP 1 41.818 8.745 9.122 8 HE1 TRP 1 HE1 TRP 1 41.831 7.144 7.073 9 HE3 TRP 1 HE3 TRP 1 45.915 10.598 6.675 10 HZ2 TRP 1 HZ2 TRP 1 43.422 6.750 4.706 11 HZ3 TRP 1 HZ3 TRP 1 46.662 9.594 4.523 12 HH2 TRP 1 HH2 TRP 1 45.421 7.674 3.536 13 H LEU 2 HN LEU 2 44.404 11.989 11.283 14 HA LEU 2 HA LEU 2 44.165 14.960 10.914 15 HB2 LEU 2 HB2 LEU 2 44.375 13.557 13.592 16 HB3 LEU 2 HB1 LEU 2 44.320 15.312 13.289 17 HG LEU 2 HG LEU 2 42.085 13.410 12.449 18 HD11 LEU 2 HD11 LEU 2 42.279 15.102 14.980 19 HD12 LEU 2 HD12 LEU 2 42.414 13.328 14.916 20 HD13 LEU 2 HD13 LEU 2 40.881 14.121 14.478 21 HD21 LEU 2 HD21 LEU 2 40.781 15.642 12.612 22 HD22 LEU 2 HD22 LEU 2 41.916 15.484 11.256 23 HD23 LEU 2 HD23 LEU 2 42.370 16.438 12.687 24 H ARG 3 HN ARG 3 46.013 12.203 10.892 25 HA ARG 3 HA ARG 3 48.406 12.793 12.208 26 HB2 ARG 3 HB2 ARG 3 47.892 10.765 10.756 27 HB3 ARG 3 HB1 ARG 3 48.279 11.776 9.343 28 HG2 ARG 3 HG2 ARG 3 50.538 12.181 10.200 29 HG3 ARG 3 HG1 ARG 3 50.162 11.284 11.692 30 HD2 ARG 3 HD2 ARG 3 49.669 9.259 10.248 31 HD3 ARG 3 HD1 ARG 3 50.297 10.174 8.857 32 HE ARG 3 HE ARG 3 51.910 8.873 10.850 33 HH11 ARG 3 HH11 ARG 3 53.223 10.953 11.846 34 HH12 ARG 3 HH12 ARG 3 54.212 11.647 10.606 35 HH21 ARG 3 HH21 ARG 3 52.489 10.121 8.012 36 HH22 ARG 3 HH22 ARG 3 53.796 11.177 8.434 37 H ARG 4 HN ARG 4 46.823 14.526 9.729 38 HA ARG 4 HA ARG 4 49.159 16.396 9.474 39 HB2 ARG 4 HB2 ARG 4 47.269 15.471 7.270 40 HB3 ARG 4 HB1 ARG 4 48.457 16.786 7.116 41 HG2 ARG 4 HG2 ARG 4 50.301 15.255 7.514 42 HG3 ARG 4 HG1 ARG 4 49.176 13.931 7.900 43 HD2 ARG 4 HD2 ARG 4 50.047 13.743 5.577 44 HD3 ARG 4 HD1 ARG 4 48.285 13.993 5.601 45 HE ARG 4 HE ARG 4 48.630 16.088 4.558 46 HH11 ARG 4 HH11 ARG 4 49.964 17.593 3.518 47 HH12 ARG 4 HH12 ARG 4 51.655 17.630 3.889 48 HH21 ARG 4 HH21 ARG 4 51.502 14.951 6.086 49 HH22 ARG 4 HH22 ARG 4 52.527 16.133 5.343 50 H ILE 5 HN ILE 5 45.966 15.854 10.475 51 HA ILE 5 HA ILE 5 44.275 17.317 11.073 52 HB ILE 5 HB ILE 5 46.264 19.599 10.727 53 HG12 ILE 5 HG12 ILE 5 45.930 17.668 13.071 54 HG13 ILE 5 HG11 ILE 5 47.354 17.790 12.009 55 HG21 ILE 5 HG21 ILE 5 44.926 20.709 12.374 56 HG22 ILE 5 HG22 ILE 5 44.069 19.207 12.802 57 HG23 ILE 5 HG23 ILE 5 43.767 19.991 11.233 58 HD11 ILE 5 HD1 ILE 5 47.947 19.070 13.920 59 HD12 ILE 5 HD2 ILE 5 46.330 19.801 14.043 60 HD13 ILE 5 HD3 ILE 5 47.434 20.292 12.733 61 H GLY 6 HN GLY 6 43.044 16.936 9.214 62 HA2 GLY 6 HA1 GLY 6 42.268 19.210 7.749 63 HA3 GLY 6 HA2 GLY 6 43.462 18.358 6.749 64 H LYS 7 HN LYS 7 42.818 15.706 7.630 65 HA LYS 7 HA LYS 7 41.412 13.977 7.007 66 HB2 LYS 7 HB2 LYS 7 39.945 15.181 8.708 67 HB3 LYS 7 HB1 LYS 7 39.129 15.958 7.331 68 HG2 LYS 7 HG2 LYS 7 38.516 13.763 6.412 69 HG3 LYS 7 HG1 LYS 7 39.396 12.946 7.727 70 HD2 LYS 7 HD2 LYS 7 37.890 14.090 9.381 71 HD3 LYS 7 HD1 LYS 7 36.959 14.755 8.017 72 HE2 LYS 7 HE2 LYS 7 36.600 12.386 7.205 73 HE3 LYS 7 HE1 LYS 7 37.355 11.814 8.712 74 HZ1 LYS 7 HZ1 LYS 7 35.058 13.693 8.706 75 HZ2 LYS 7 HZ2 LYS 7 35.650 12.754 9.994 76 HZ3 LYS 7 HZ3 LYS 7 34.846 12.010 8.695 77 H GLY 8 HN GLY 8 40.239 13.085 5.258 78 HA2 GLY 8 HA1 GLY 8 39.484 12.988 3.068 79 HA3 GLY 8 HA2 GLY 8 39.212 14.740 3.125 80 H VAL 9 HN VAL 9 40.047 13.700 0.789 81 HA VAL 9 HA VAL 9 42.957 13.677 0.585 82 HB VAL 9 HB VAL 9 41.083 14.169 -1.764 83 HG11 VAL 9 HG11 VAL 9 43.502 14.107 -2.227 84 HG12 VAL 9 HG12 VAL 9 42.727 12.652 -2.890 85 HG13 VAL 9 HG13 VAL 9 43.650 12.556 -1.371 86 HG21 VAL 9 HG21 VAL 9 39.968 12.419 -0.516 87 HG22 VAL 9 HG22 VAL 9 41.508 11.579 -0.216 88 HG23 VAL 9 HG23 VAL 9 40.837 11.646 -1.862 89 H LYS 10 HN LYS 10 41.122 16.088 1.537 90 HA LYS 10 HA LYS 10 41.390 18.383 1.588 91 HB2 LYS 10 HB2 LYS 10 43.893 18.045 -0.101 92 HB3 LYS 10 HB1 LYS 10 43.477 19.384 0.987 93 HG2 LYS 10 HG2 LYS 10 43.721 18.004 2.943 94 HG3 LYS 10 HG1 LYS 10 43.825 16.520 1.968 95 HD2 LYS 10 HD2 LYS 10 45.921 17.347 0.937 96 HD3 LYS 10 HD1 LYS 10 45.834 18.809 1.948 97 HE2 LYS 10 HE2 LYS 10 47.323 17.284 3.074 98 HE3 LYS 10 HE1 LYS 10 45.791 17.263 3.980 99 HZ1 LYS 10 HZ1 LYS 10 45.198 15.217 3.057 100 HZ2 LYS 10 HZ2 LYS 10 46.852 15.037 3.403 101 HZ3 LYS 10 HZ3 LYS 10 46.342 15.324 1.808 102 H ILE 11 HN ILE 11 41.179 16.638 -1.346 103 HA ILE 11 HA ILE 11 40.206 19.117 -2.766 104 HB ILE 11 HB ILE 11 41.556 16.757 -4.129 105 HG12 ILE 11 HG12 ILE 11 42.757 19.392 -3.160 106 HG13 ILE 11 HG11 ILE 11 43.203 17.756 -2.622 107 HG21 ILE 11 HG21 ILE 11 41.206 19.634 -5.075 108 HG22 ILE 11 HG22 ILE 11 39.987 18.376 -5.382 109 HG23 ILE 11 HG23 ILE 11 41.627 18.203 -6.045 110 HD11 ILE 11 HD1 ILE 11 43.754 17.295 -5.126 111 HD12 ILE 11 HD2 ILE 11 44.880 18.320 -4.207 112 HD13 ILE 11 HD3 ILE 11 43.705 19.064 -5.316 113 H ILE 12 HN ILE 12 40.095 15.545 -2.527 114 HA ILE 12 HA ILE 12 37.477 15.534 -3.965 115 HB ILE 12 HB ILE 12 39.175 13.260 -2.871 116 HG12 ILE 12 HG12 ILE 12 38.874 14.250 -5.747 117 HG13 ILE 12 HG11 ILE 12 40.249 14.648 -4.695 118 HG21 ILE 12 HG21 ILE 12 36.730 13.345 -4.703 119 HG22 ILE 12 HG22 ILE 12 36.858 12.553 -3.116 120 HG23 ILE 12 HG23 ILE 12 37.749 11.902 -4.504 121 HD11 ILE 12 HD1 ILE 12 40.370 11.969 -4.425 122 HD12 ILE 12 HD2 ILE 12 41.123 12.790 -5.810 123 HD13 ILE 12 HD3 ILE 12 39.536 12.014 -5.997 124 H GLY 13 HN GLY 13 38.247 13.166 -1.464 125 HA2 GLY 13 HA1 GLY 13 35.759 13.535 -0.106 126 HA3 GLY 13 HA2 GLY 13 37.199 12.725 0.557 127 H GLY 14 HN GLY 14 38.406 15.414 -0.484 128 HA2 GLY 14 HA1 GLY 14 38.416 16.749 2.150 129 HA3 GLY 14 HA2 GLY 14 39.391 17.169 0.723 130 H ALA 15 HN ALA 15 37.506 17.464 -1.282 131 HA ALA 15 HA ALA 15 36.214 19.999 -0.371 132 HB1 ALA 15 HB1 ALA 15 35.686 20.343 -2.695 133 HB2 ALA 15 HB2 ALA 15 36.071 18.654 -3.092 134 HB3 ALA 15 HB3 ALA 15 37.368 19.774 -2.606 135 H ALA 16 HN ALA 16 35.459 17.351 0.679 136 HA ALA 16 HA ALA 16 33.472 16.442 1.425 137 HB1 ALA 16 HB1 ALA 16 31.423 17.531 1.142 138 HB2 ALA 16 HB2 ALA 16 31.818 18.084 -0.503 139 HB3 ALA 16 HB3 ALA 16 32.575 18.866 0.905 140 H LEU 17 HN LEU 17 35.104 15.318 -0.623 141 HA LEU 17 HA LEU 17 34.969 13.723 -2.321 142 HB2 LEU 17 HB2 LEU 17 33.351 12.912 -0.286 143 HB3 LEU 17 HB1 LEU 17 32.143 12.982 -1.586 144 HG LEU 17 HG LEU 17 34.788 11.451 -1.728 145 HD11 LEU 17 HD11 LEU 17 31.930 10.447 -1.378 146 HD12 LEU 17 HD12 LEU 17 33.161 10.500 -0.095 147 HD13 LEU 17 HD13 LEU 17 33.391 9.441 -1.508 148 HD21 LEU 17 HD21 LEU 17 33.717 10.437 -3.754 149 HD22 LEU 17 HD22 LEU 17 33.997 12.184 -3.937 150 HD23 LEU 17 HD23 LEU 17 32.361 11.575 -3.578 151 H ASP 18 HN ASP 18 34.282 16.357 -3.086 152 HA ASP 18 HA ASP 18 33.270 17.508 -4.824 153 HB2 ASP 18 HB2 ASP 18 34.404 15.796 -6.172 154 HB3 ASP 18 HB1 ASP 18 33.017 14.699 -5.976 155 H HIS 19 HN HIS 19 31.328 14.565 -5.320 156 HA HIS 19 HA HIS 19 28.868 15.909 -5.556 157 HB2 HIS 19 HB2 HIS 19 29.230 13.123 -4.392 158 HB3 HIS 19 HB1 HIS 19 27.822 13.755 -5.280 159 HD1 HIS 19 HD1 HIS 19 30.753 11.741 -5.790 160 HD2 HIS 19 HD2 HIS 19 28.825 14.720 -8.049 161 HE1 HIS 19 HE1 HIS 19 31.504 11.463 -8.217 162 H LEU 20 HN LEU 20 29.851 13.953 -2.697 163 HA LEU 20 HA LEU 20 29.166 16.012 -0.810 164 HB2 LEU 20 HB2 LEU 20 26.868 15.665 -1.455 165 HB3 LEU 20 HB1 LEU 20 27.052 13.899 -1.384 166 HG LEU 20 HG LEU 20 27.271 13.940 1.029 167 HD11 LEU 20 HD11 LEU 20 28.609 15.865 1.473 168 HD12 LEU 20 HD12 LEU 20 27.035 16.239 2.210 169 HD13 LEU 20 HD13 LEU 20 27.473 16.952 0.639 170 HD21 LEU 20 HD21 LEU 20 24.968 14.169 0.001 171 HD22 LEU 20 HD22 LEU 20 25.082 15.923 0.276 172 HD23 LEU 20 HD23 LEU 20 25.090 14.803 1.659 Start of MODEL 22 1 H1 TRP 1 HT1 TRP 1 33.887 5.773 12.938 2 H2 TRP 1 HT2 TRP 1 35.321 5.179 12.245 3 H3 TRP 1 HT3 TRP 1 34.197 6.024 11.290 4 HA TRP 1 HA TRP 1 34.802 8.026 12.030 5 HB2 TRP 1 HB2 TRP 1 35.826 6.724 14.584 6 HB3 TRP 1 HB1 TRP 1 35.634 8.465 14.270 7 HD1 TRP 1 HD1 TRP 1 33.190 9.460 14.268 8 HE1 TRP 1 HE1 TRP 1 30.907 8.592 15.162 9 HE3 TRP 1 HE3 TRP 1 34.409 4.533 14.941 10 HZ2 TRP 1 HZ2 TRP 1 29.793 6.085 16.042 11 HZ3 TRP 1 HZ3 TRP 1 32.721 2.921 15.808 12 HH2 TRP 1 HH2 TRP 1 30.416 3.693 16.359 13 H LEU 2 HN LEU 2 37.030 9.076 12.738 14 HA LEU 2 HA LEU 2 39.387 7.462 12.320 15 HB2 LEU 2 HB2 LEU 2 38.656 7.386 10.007 16 HB3 LEU 2 HB1 LEU 2 38.373 9.140 9.993 17 HG LEU 2 HG LEU 2 40.761 9.590 10.207 18 HD11 LEU 2 HD11 LEU 2 42.343 7.520 10.103 19 HD12 LEU 2 HD12 LEU 2 40.935 6.589 10.668 20 HD13 LEU 2 HD13 LEU 2 41.592 7.908 11.666 21 HD21 LEU 2 HD21 LEU 2 39.821 9.044 7.947 22 HD22 LEU 2 HD22 LEU 2 40.325 7.353 8.181 23 HD23 LEU 2 HD23 LEU 2 41.548 8.643 8.094 24 H ARG 3 HN ARG 3 38.803 10.671 10.957 25 HA ARG 3 HA ARG 3 39.879 12.036 13.353 26 HB2 ARG 3 HB2 ARG 3 41.347 11.968 10.682 27 HB3 ARG 3 HB1 ARG 3 41.640 13.197 11.935 28 HG2 ARG 3 HG2 ARG 3 42.100 11.282 13.557 29 HG3 ARG 3 HG1 ARG 3 42.057 10.186 12.155 30 HD2 ARG 3 HD2 ARG 3 44.379 10.882 12.677 31 HD3 ARG 3 HD1 ARG 3 43.871 11.478 11.079 32 HE ARG 3 HE ARG 3 43.327 13.447 13.127 33 HH11 ARG 3 HH11 ARG 3 46.206 12.532 13.586 34 HH12 ARG 3 HH12 ARG 3 47.073 13.662 12.602 35 HH21 ARG 3 HH21 ARG 3 44.268 14.681 10.836 36 HH22 ARG 3 HH22 ARG 3 45.976 14.880 11.046 37 H ARG 4 HN ARG 4 38.453 11.886 10.196 38 HA ARG 4 HA ARG 4 37.226 14.600 10.621 39 HB2 ARG 4 HB2 ARG 4 38.178 13.471 7.955 40 HB3 ARG 4 HB1 ARG 4 37.415 15.053 8.227 41 HG2 ARG 4 HG2 ARG 4 40.031 14.202 9.546 42 HG3 ARG 4 HG1 ARG 4 39.959 15.093 8.011 43 HD2 ARG 4 HD2 ARG 4 38.489 16.815 9.306 44 HD3 ARG 4 HD1 ARG 4 39.099 16.014 10.773 45 HE ARG 4 HE ARG 4 41.324 16.633 9.099 46 HH11 ARG 4 HH11 ARG 4 38.740 18.583 10.085 47 HH12 ARG 4 HH12 ARG 4 39.726 19.780 10.857 48 HH21 ARG 4 HH21 ARG 4 42.667 17.983 10.483 49 HH22 ARG 4 HH22 ARG 4 41.948 19.441 11.081 50 H ILE 5 HN ILE 5 36.846 11.325 10.416 51 HA ILE 5 HA ILE 5 35.003 9.972 10.054 52 HB ILE 5 HB ILE 5 33.305 12.499 9.918 53 HG12 ILE 5 HG12 ILE 5 34.379 11.012 12.360 54 HG13 ILE 5 HG11 ILE 5 34.791 12.674 11.875 55 HG21 ILE 5 HG21 ILE 5 32.356 10.156 9.416 56 HG22 ILE 5 HG22 ILE 5 31.541 11.079 10.698 57 HG23 ILE 5 HG23 ILE 5 32.676 9.774 11.124 58 HD11 ILE 5 HD1 ILE 5 32.145 11.608 12.919 59 HD12 ILE 5 HD2 ILE 5 32.229 13.137 12.009 60 HD13 ILE 5 HD3 ILE 5 33.122 12.959 13.539 61 H GLY 6 HN GLY 6 34.561 8.911 8.248 62 HA2 GLY 6 HA1 GLY 6 33.882 8.533 6.060 63 HA3 GLY 6 HA2 GLY 6 33.357 10.225 5.955 64 H LYS 7 HN LYS 7 36.620 9.241 6.875 65 HA LYS 7 HA LYS 7 38.656 9.711 5.871 66 HB2 LYS 7 HB2 LYS 7 37.210 9.289 3.231 67 HB3 LYS 7 HB1 LYS 7 38.929 9.008 3.597 68 HG2 LYS 7 HG2 LYS 7 38.241 7.252 5.256 69 HG3 LYS 7 HG1 LYS 7 36.553 7.476 4.738 70 HD2 LYS 7 HD2 LYS 7 37.201 6.887 2.409 71 HD3 LYS 7 HD1 LYS 7 38.876 6.627 2.953 72 HE2 LYS 7 HE2 LYS 7 38.106 4.857 4.503 73 HE3 LYS 7 HE1 LYS 7 36.428 5.117 3.972 74 HZ1 LYS 7 HZ1 LYS 7 38.710 4.180 2.308 75 HZ2 LYS 7 HZ2 LYS 7 37.184 4.591 1.686 76 HZ3 LYS 7 HZ3 LYS 7 37.342 3.287 2.764 77 H GLY 8 HN GLY 8 39.743 11.077 4.029 78 HA2 GLY 8 HA1 GLY 8 38.480 13.260 2.817 79 HA3 GLY 8 HA2 GLY 8 38.862 13.797 4.465 80 H VAL 9 HN VAL 9 39.987 13.469 1.298 81 HA VAL 9 HA VAL 9 42.838 13.215 1.944 82 HB VAL 9 HB VAL 9 41.441 14.052 -0.638 83 HG11 VAL 9 HG11 VAL 9 43.706 14.873 -0.699 84 HG12 VAL 9 HG12 VAL 9 43.703 13.350 -1.618 85 HG13 VAL 9 HG13 VAL 9 44.335 13.385 0.045 86 HG21 VAL 9 HG21 VAL 9 42.608 11.399 0.319 87 HG22 VAL 9 HG22 VAL 9 42.002 11.714 -1.324 88 HG23 VAL 9 HG23 VAL 9 40.884 11.759 0.059 89 H LYS 10 HN LYS 10 41.455 15.781 -0.106 90 HA LYS 10 HA LYS 10 42.048 17.930 1.738 91 HB2 LYS 10 HB2 LYS 10 44.375 17.105 1.093 92 HB3 LYS 10 HB1 LYS 10 44.017 17.651 -0.562 93 HG2 LYS 10 HG2 LYS 10 43.430 19.935 0.487 94 HG3 LYS 10 HG1 LYS 10 44.194 19.329 1.973 95 HD2 LYS 10 HD2 LYS 10 45.519 19.538 -0.770 96 HD3 LYS 10 HD1 LYS 10 45.812 20.616 0.615 97 HE2 LYS 10 HE2 LYS 10 46.530 17.677 0.328 98 HE3 LYS 10 HE1 LYS 10 47.602 19.051 0.681 99 HZ1 LYS 10 HZ1 LYS 10 45.550 17.848 2.463 100 HZ2 LYS 10 HZ2 LYS 10 46.306 19.335 2.786 101 HZ3 LYS 10 HZ3 LYS 10 47.229 17.910 2.705 102 H ILE 11 HN ILE 11 41.397 16.682 -1.473 103 HA ILE 11 HA ILE 11 39.900 19.221 -2.100 104 HB ILE 11 HB ILE 11 41.442 17.615 -4.179 105 HG12 ILE 11 HG12 ILE 11 42.260 20.127 -2.647 106 HG13 ILE 11 HG11 ILE 11 43.068 18.543 -2.600 107 HG21 ILE 11 HG21 ILE 11 40.973 19.474 -5.623 108 HG22 ILE 11 HG22 ILE 11 40.435 20.490 -4.264 109 HG23 ILE 11 HG23 ILE 11 39.439 19.115 -4.798 110 HD11 ILE 11 HD1 ILE 11 44.380 19.810 -4.120 111 HD12 ILE 11 HD2 ILE 11 42.949 20.540 -4.885 112 HD13 ILE 11 HD3 ILE 11 43.340 18.826 -5.177 113 H ILE 12 HN ILE 12 40.449 15.773 -2.912 114 HA ILE 12 HA ILE 12 37.831 15.534 -4.207 115 HB ILE 12 HB ILE 12 39.774 13.441 -3.179 116 HG12 ILE 12 HG12 ILE 12 39.442 14.155 -6.120 117 HG13 ILE 12 HG11 ILE 12 40.453 15.194 -5.094 118 HG21 ILE 12 HG21 ILE 12 38.522 12.045 -5.026 119 HG22 ILE 12 HG22 ILE 12 37.267 13.296 -4.904 120 HG23 ILE 12 HG23 ILE 12 37.694 12.321 -3.480 121 HD11 ILE 12 HD1 ILE 12 40.846 12.179 -5.142 122 HD12 ILE 12 HD2 ILE 12 41.976 13.443 -4.606 123 HD13 ILE 12 HD3 ILE 12 41.623 13.244 -6.337 124 H GLY 13 HN GLY 13 38.881 13.172 -1.783 125 HA2 GLY 13 HA1 GLY 13 36.322 13.037 -0.511 126 HA3 GLY 13 HA2 GLY 13 37.860 12.461 0.172 127 H GLY 14 HN GLY 14 38.624 15.343 -0.729 128 HA2 GLY 14 HA1 GLY 14 38.371 16.548 1.951 129 HA3 GLY 14 HA2 GLY 14 39.235 17.215 0.547 130 H ALA 15 HN ALA 15 37.291 17.243 -1.430 131 HA ALA 15 HA ALA 15 35.534 19.422 -0.378 132 HB1 ALA 15 HB1 ALA 15 34.931 19.787 -2.702 133 HB2 ALA 15 HB2 ALA 15 35.752 18.289 -3.193 134 HB3 ALA 15 HB3 ALA 15 36.700 19.669 -2.581 135 H ALA 16 HN ALA 16 35.299 16.682 0.530 136 HA ALA 16 HA ALA 16 33.556 15.296 1.124 137 HB1 ALA 16 HB1 ALA 16 31.325 15.965 0.871 138 HB2 ALA 16 HB2 ALA 16 31.627 16.758 -0.692 139 HB3 ALA 16 HB3 ALA 16 32.191 17.518 0.814 140 H LEU 17 HN LEU 17 35.389 14.698 -0.974 141 HA LEU 17 HA LEU 17 35.585 13.166 -2.727 142 HB2 LEU 17 HB2 LEU 17 34.116 11.866 -1.008 143 HB3 LEU 17 HB1 LEU 17 32.766 12.224 -2.104 144 HG LEU 17 HG LEU 17 34.459 11.265 -3.968 145 HD11 LEU 17 HD11 LEU 17 35.978 9.598 -3.184 146 HD12 LEU 17 HD12 LEU 17 35.304 9.635 -1.536 147 HD13 LEU 17 HD13 LEU 17 36.267 11.003 -2.134 148 HD21 LEU 17 HD21 LEU 17 32.265 10.283 -3.476 149 HD22 LEU 17 HD22 LEU 17 32.899 9.537 -1.991 150 HD23 LEU 17 HD23 LEU 17 33.480 8.988 -3.582 151 H ASP 18 HN ASP 18 35.012 15.627 -3.593 152 HA ASP 18 HA ASP 18 34.261 16.740 -5.471 153 HB2 ASP 18 HB2 ASP 18 34.839 14.471 -6.552 154 HB3 ASP 18 HB1 ASP 18 33.094 14.128 -6.502 155 H HIS 19 HN HIS 19 31.721 14.206 -5.281 156 HA HIS 19 HA HIS 19 29.803 16.118 -4.119 157 HB2 HIS 19 HB2 HIS 19 29.876 16.702 -6.581 158 HB3 HIS 19 HB1 HIS 19 29.300 15.054 -6.926 159 HD1 HIS 19 HD1 HIS 19 27.750 15.818 -3.830 160 HD2 HIS 19 HD2 HIS 19 27.028 16.992 -7.803 161 HE1 HIS 19 HE1 HIS 19 25.354 16.701 -3.940 162 H LEU 20 HN LEU 20 30.887 13.606 -3.307 163 HA LEU 20 HA LEU 20 30.195 11.522 -2.562 164 HB2 LEU 20 HB2 LEU 20 28.499 13.108 -1.483 165 HB3 LEU 20 HB1 LEU 20 27.382 12.651 -2.786 166 HG LEU 20 HG LEU 20 27.969 10.162 -2.052 167 HD11 LEU 20 HD11 LEU 20 28.338 10.035 0.439 168 HD12 LEU 20 HD12 LEU 20 28.680 11.780 0.441 169 HD13 LEU 20 HD13 LEU 20 29.743 10.664 -0.448 170 HD21 LEU 20 HD21 LEU 20 25.731 11.159 -1.851 171 HD22 LEU 20 HD22 LEU 20 26.222 12.017 -0.371 172 HD23 LEU 20 HD23 LEU 20 26.118 10.240 -0.378 Start of MODEL 23 1 H1 TRP 1 HT1 TRP 1 42.145 1.464 9.831 2 H2 TRP 1 HT2 TRP 1 42.317 3.069 9.299 3 H3 TRP 1 HT3 TRP 1 42.876 1.786 8.337 4 HA TRP 1 HA TRP 1 40.835 2.672 7.480 5 HB2 TRP 1 HB2 TRP 1 40.414 -0.063 8.743 6 HB3 TRP 1 HB1 TRP 1 39.678 0.566 7.248 7 HD1 TRP 1 HD1 TRP 1 41.225 0.764 5.099 8 HE1 TRP 1 HE1 TRP 1 43.482 -0.340 4.432 9 HE3 TRP 1 HE3 TRP 1 42.683 -0.933 9.704 10 HZ2 TRP 1 HZ2 TRP 1 45.613 -1.762 5.748 11 HZ3 TRP 1 HZ3 TRP 1 44.832 -2.160 9.975 12 HH2 TRP 1 HH2 TRP 1 46.298 -2.576 8.003 13 H LEU 2 HN LEU 2 40.139 4.404 8.887 14 HA LEU 2 HA LEU 2 38.568 3.794 11.260 15 HB2 LEU 2 HB2 LEU 2 39.004 6.284 9.580 16 HB3 LEU 2 HB1 LEU 2 37.877 6.276 10.948 17 HG LEU 2 HG LEU 2 40.260 7.105 11.425 18 HD11 LEU 2 HD11 LEU 2 40.277 6.244 13.632 19 HD12 LEU 2 HD12 LEU 2 39.540 4.704 13.150 20 HD13 LEU 2 HD13 LEU 2 38.567 6.192 13.160 21 HD21 LEU 2 HD21 LEU 2 42.038 5.499 11.673 22 HD22 LEU 2 HD22 LEU 2 41.350 5.268 10.051 23 HD23 LEU 2 HD23 LEU 2 40.944 4.134 11.360 24 H ARG 3 HN ARG 3 37.277 5.922 8.785 25 HA ARG 3 HA ARG 3 35.010 4.011 8.274 26 HB2 ARG 3 HB2 ARG 3 34.629 6.978 8.829 27 HB3 ARG 3 HB1 ARG 3 33.376 5.727 8.647 28 HG2 ARG 3 HG2 ARG 3 34.236 4.588 10.686 29 HG3 ARG 3 HG1 ARG 3 35.447 5.879 10.880 30 HD2 ARG 3 HD2 ARG 3 33.687 7.556 11.138 31 HD3 ARG 3 HD1 ARG 3 32.433 6.337 10.803 32 HE ARG 3 HE ARG 3 34.099 5.567 13.056 33 HH11 ARG 3 HH11 ARG 3 30.974 5.760 12.338 34 HH12 ARG 3 HH12 ARG 3 30.450 6.632 13.741 35 HH21 ARG 3 HH21 ARG 3 33.660 7.480 14.739 36 HH22 ARG 3 HH22 ARG 3 31.971 7.606 15.099 37 H ARG 4 HN ARG 4 37.378 6.197 7.213 38 HA ARG 4 HA ARG 4 36.351 6.004 4.424 39 HB2 ARG 4 HB2 ARG 4 37.109 8.665 5.701 40 HB3 ARG 4 HB1 ARG 4 36.623 8.396 4.009 41 HG2 ARG 4 HG2 ARG 4 34.429 7.448 4.914 42 HG3 ARG 4 HG1 ARG 4 34.921 8.060 6.511 43 HD2 ARG 4 HD2 ARG 4 35.207 10.346 5.448 44 HD3 ARG 4 HD1 ARG 4 34.467 9.681 3.973 45 HE ARG 4 HE ARG 4 32.744 9.105 6.175 46 HH11 ARG 4 HH11 ARG 4 33.557 11.925 6.859 47 HH12 ARG 4 HH12 ARG 4 32.369 12.853 6.006 48 HH21 ARG 4 HH21 ARG 4 31.383 10.217 3.979 49 HH22 ARG 4 HH22 ARG 4 31.137 11.885 4.375 50 H ILE 5 HN ILE 5 38.691 5.381 6.519 51 HA ILE 5 HA ILE 5 40.970 5.015 6.327 52 HB ILE 5 HB ILE 5 40.677 5.500 3.333 53 HG12 ILE 5 HG12 ILE 5 40.062 2.983 4.950 54 HG13 ILE 5 HG11 ILE 5 38.875 3.977 4.074 55 HG21 ILE 5 HG21 ILE 5 42.427 3.511 4.836 56 HG22 ILE 5 HG22 ILE 5 42.966 5.167 4.470 57 HG23 ILE 5 HG23 ILE 5 42.573 4.048 3.145 58 HD11 ILE 5 HD1 ILE 5 39.342 2.189 2.582 59 HD12 ILE 5 HD2 ILE 5 41.083 2.227 2.940 60 HD13 ILE 5 HD3 ILE 5 40.346 3.526 1.971 61 H GLY 6 HN GLY 6 41.980 6.653 7.337 62 HA2 GLY 6 HA1 GLY 6 43.081 8.668 7.620 63 HA3 GLY 6 HA2 GLY 6 43.518 8.516 5.907 64 H LYS 7 HN LYS 7 40.312 8.936 7.416 65 HA LYS 7 HA LYS 7 38.613 10.400 6.751 66 HB2 LYS 7 HB2 LYS 7 39.113 12.733 7.419 67 HB3 LYS 7 HB1 LYS 7 39.696 11.555 8.611 68 HG2 LYS 7 HG2 LYS 7 41.976 11.795 7.875 69 HG3 LYS 7 HG1 LYS 7 41.486 12.718 6.434 70 HD2 LYS 7 HD2 LYS 7 40.662 14.548 7.863 71 HD3 LYS 7 HD1 LYS 7 41.098 13.622 9.319 72 HE2 LYS 7 HE2 LYS 7 42.875 15.230 8.848 73 HE3 LYS 7 HE1 LYS 7 43.483 13.589 8.523 74 HZ1 LYS 7 HZ1 LYS 7 44.015 14.367 6.522 75 HZ2 LYS 7 HZ2 LYS 7 43.104 15.787 6.720 76 HZ3 LYS 7 HZ3 LYS 7 42.358 14.367 6.162 77 H GLY 8 HN GLY 8 38.751 13.048 5.707 78 HA2 GLY 8 HA1 GLY 8 38.710 12.444 2.910 79 HA3 GLY 8 HA2 GLY 8 38.624 14.060 3.637 80 H VAL 9 HN VAL 9 39.993 13.221 1.201 81 HA VAL 9 HA VAL 9 42.847 13.124 1.796 82 HB VAL 9 HB VAL 9 41.373 13.757 -0.803 83 HG11 VAL 9 HG11 VAL 9 44.301 13.222 -0.150 84 HG12 VAL 9 HG12 VAL 9 43.609 14.640 -0.972 85 HG13 VAL 9 HG13 VAL 9 43.633 13.060 -1.792 86 HG21 VAL 9 HG21 VAL 9 40.930 11.492 0.112 87 HG22 VAL 9 HG22 VAL 9 42.682 11.205 0.242 88 HG23 VAL 9 HG23 VAL 9 41.930 11.409 -1.358 89 H LYS 10 HN LYS 10 41.481 15.513 -0.447 90 HA LYS 10 HA LYS 10 41.934 17.798 1.261 91 HB2 LYS 10 HB2 LYS 10 44.312 17.026 0.842 92 HB3 LYS 10 HB1 LYS 10 44.046 17.367 -0.884 93 HG2 LYS 10 HG2 LYS 10 43.501 19.719 -0.346 94 HG3 LYS 10 HG1 LYS 10 43.748 19.384 1.385 95 HD2 LYS 10 HD2 LYS 10 46.091 18.859 1.013 96 HD3 LYS 10 HD1 LYS 10 45.881 18.971 -0.752 97 HE2 LYS 10 HE2 LYS 10 46.902 21.032 0.346 98 HE3 LYS 10 HE1 LYS 10 45.450 21.341 -0.636 99 HZ1 LYS 10 HZ1 LYS 10 45.293 22.479 1.472 100 HZ2 LYS 10 HZ2 LYS 10 45.547 21.033 2.326 101 HZ3 LYS 10 HZ3 LYS 10 44.130 21.245 1.413 102 H ILE 11 HN ILE 11 41.407 16.290 -1.839 103 HA ILE 11 HA ILE 11 40.214 18.864 -2.887 104 HB ILE 11 HB ILE 11 41.209 16.534 -4.575 105 HG12 ILE 11 HG12 ILE 11 43.092 18.465 -5.045 106 HG13 ILE 11 HG11 ILE 11 42.731 18.854 -3.349 107 HG21 ILE 11 HG21 ILE 11 39.545 18.050 -5.593 108 HG22 ILE 11 HG22 ILE 11 41.133 18.252 -6.369 109 HG23 ILE 11 HG23 ILE 11 40.561 19.454 -5.189 110 HD11 ILE 11 HD1 ILE 11 44.501 17.283 -3.213 111 HD12 ILE 11 HD2 ILE 11 43.833 16.277 -4.520 112 HD13 ILE 11 HD3 ILE 11 43.054 16.291 -2.923 113 H ILE 12 HN ILE 12 40.013 15.285 -2.982 114 HA ILE 12 HA ILE 12 37.187 15.455 -3.902 115 HB ILE 12 HB ILE 12 38.960 13.068 -3.267 116 HG12 ILE 12 HG12 ILE 12 39.975 14.336 -5.067 117 HG13 ILE 12 HG11 ILE 12 39.222 12.893 -5.773 118 HG21 ILE 12 HG21 ILE 12 36.151 13.362 -4.358 119 HG22 ILE 12 HG22 ILE 12 36.829 12.119 -3.284 120 HG23 ILE 12 HG23 ILE 12 37.164 12.058 -5.026 121 HD11 ILE 12 HD1 ILE 12 38.541 14.610 -7.243 122 HD12 ILE 12 HD2 ILE 12 38.320 15.785 -5.929 123 HD13 ILE 12 HD3 ILE 12 37.144 14.470 -6.154 124 H GLY 13 HN GLY 13 38.144 12.802 -1.817 125 HA2 GLY 13 HA1 GLY 13 35.971 13.072 -0.035 126 HA3 GLY 13 HA2 GLY 13 37.505 12.260 0.347 127 H GLY 14 HN GLY 14 38.636 14.969 -0.582 128 HA2 GLY 14 HA1 GLY 14 38.941 16.112 2.109 129 HA3 GLY 14 HA2 GLY 14 39.714 16.669 0.609 130 H ALA 15 HN ALA 15 37.654 17.170 -1.115 131 HA ALA 15 HA ALA 15 36.412 19.539 0.226 132 HB1 ALA 15 HB1 ALA 15 36.001 18.591 -2.630 133 HB2 ALA 15 HB2 ALA 15 37.392 19.586 -2.130 134 HB3 ALA 15 HB3 ALA 15 35.738 20.216 -1.959 135 H ALA 16 HN ALA 16 35.799 16.763 0.977 136 HA ALA 16 HA ALA 16 33.906 15.683 1.735 137 HB1 ALA 16 HB1 ALA 16 31.823 16.746 1.801 138 HB2 ALA 16 HB2 ALA 16 32.065 17.561 0.237 139 HB3 ALA 16 HB3 ALA 16 32.933 18.130 1.682 140 H LEU 17 HN LEU 17 35.336 14.804 -0.474 141 HA LEU 17 HA LEU 17 35.074 13.264 -2.196 142 HB2 LEU 17 HB2 LEU 17 33.126 12.530 -0.551 143 HB3 LEU 17 HB1 LEU 17 32.070 13.208 -1.808 144 HG LEU 17 HG LEU 17 33.570 11.720 -3.450 145 HD11 LEU 17 HD11 LEU 17 33.873 10.296 -0.764 146 HD12 LEU 17 HD12 LEU 17 35.192 10.972 -1.747 147 HD13 LEU 17 HD13 LEU 17 34.255 9.586 -2.348 148 HD21 LEU 17 HD21 LEU 17 31.470 10.537 -1.574 149 HD22 LEU 17 HD22 LEU 17 31.978 9.830 -3.126 150 HD23 LEU 17 HD23 LEU 17 31.149 11.404 -3.094 151 H ASP 18 HN ASP 18 34.260 16.316 -2.282 152 HA ASP 18 HA ASP 18 33.704 17.815 -3.951 153 HB2 ASP 18 HB2 ASP 18 35.457 16.493 -5.175 154 HB3 ASP 18 HB1 ASP 18 34.158 15.489 -5.861 155 H HIS 19 HN HIS 19 32.470 14.879 -5.591 156 HA HIS 19 HA HIS 19 29.904 16.208 -6.066 157 HB2 HIS 19 HB2 HIS 19 30.943 14.667 -7.712 158 HB3 HIS 19 HB1 HIS 19 30.759 13.327 -6.557 159 HD1 HIS 19 HD1 HIS 19 28.213 16.097 -7.265 160 HD2 HIS 19 HD2 HIS 19 28.627 11.933 -7.671 161 HE1 HIS 19 HE1 HIS 19 25.974 15.185 -8.090 162 H LEU 20 HN LEU 20 31.014 15.260 -3.259 163 HA LEU 20 HA LEU 20 30.080 14.402 -1.313 164 HB2 LEU 20 HB2 LEU 20 27.646 15.374 -2.843 165 HB3 LEU 20 HB1 LEU 20 27.469 14.608 -1.248 166 HG LEU 20 HG LEU 20 29.002 16.280 -0.263 167 HD11 LEU 20 HD11 LEU 20 29.132 17.263 -3.141 168 HD12 LEU 20 HD12 LEU 20 30.479 16.832 -2.058 169 HD13 LEU 20 HD13 LEU 20 29.541 18.313 -1.763 170 HD21 LEU 20 HD21 LEU 20 26.756 17.497 -1.937 171 HD22 LEU 20 HD22 LEU 20 27.512 18.258 -0.516 172 HD23 LEU 20 HD23 LEU 20 26.576 16.756 -0.329 Start of MODEL 24 1 H1 TRP 1 HT1 TRP 1 34.480 15.267 17.591 2 H2 TRP 1 HT2 TRP 1 33.202 16.262 18.105 3 H3 TRP 1 HT3 TRP 1 34.712 16.343 18.880 4 HA TRP 1 HA TRP 1 33.813 17.888 16.814 5 HB2 TRP 1 HB2 TRP 1 36.616 17.424 17.909 6 HB3 TRP 1 HB1 TRP 1 36.112 18.822 16.930 7 HD1 TRP 1 HD1 TRP 1 33.964 20.250 18.020 8 HE1 TRP 1 HE1 TRP 1 33.539 20.911 20.499 9 HE3 TRP 1 HE3 TRP 1 36.985 16.806 20.303 10 HZ2 TRP 1 HZ2 TRP 1 34.410 20.037 23.102 11 HZ3 TRP 1 HZ3 TRP 1 37.172 16.738 22.785 12 HH2 TRP 1 HH2 TRP 1 35.889 18.349 24.185 13 H LEU 2 HN LEU 2 33.402 15.575 15.572 14 HA LEU 2 HA LEU 2 33.785 14.491 13.567 15 HB2 LEU 2 HB2 LEU 2 35.939 16.539 12.966 16 HB3 LEU 2 HB1 LEU 2 34.946 15.614 11.819 17 HG LEU 2 HG LEU 2 34.009 17.831 13.694 18 HD11 LEU 2 HD11 LEU 2 34.037 17.525 10.659 19 HD12 LEU 2 HD12 LEU 2 35.100 18.583 11.616 20 HD13 LEU 2 HD13 LEU 2 33.353 18.906 11.547 21 HD21 LEU 2 HD21 LEU 2 32.221 16.243 13.727 22 HD22 LEU 2 HD22 LEU 2 32.453 15.822 12.012 23 HD23 LEU 2 HD23 LEU 2 31.765 17.402 12.458 24 H ARG 3 HN ARG 3 36.145 14.856 15.935 25 HA ARG 3 HA ARG 3 37.924 13.532 16.565 26 HB2 ARG 3 HB2 ARG 3 37.101 11.592 14.385 27 HB3 ARG 3 HB1 ARG 3 37.975 11.244 15.895 28 HG2 ARG 3 HG2 ARG 3 35.946 12.051 17.171 29 HG3 ARG 3 HG1 ARG 3 35.078 12.153 15.620 30 HD2 ARG 3 HD2 ARG 3 34.641 9.994 16.776 31 HD3 ARG 3 HD1 ARG 3 35.473 9.752 15.220 32 HE ARG 3 HE ARG 3 37.485 9.943 17.199 33 HH11 ARG 3 HH11 ARG 3 38.547 7.828 17.010 34 HH12 ARG 3 HH12 ARG 3 37.578 6.448 17.408 35 HH21 ARG 3 HH21 ARG 3 34.598 8.223 17.448 36 HH22 ARG 3 HH22 ARG 3 35.342 6.672 17.656 37 H ARG 4 HN ARG 4 37.648 14.671 13.331 38 HA ARG 4 HA ARG 4 40.581 14.815 13.145 39 HB2 ARG 4 HB2 ARG 4 39.772 12.494 12.226 40 HB3 ARG 4 HB1 ARG 4 39.162 13.428 10.843 41 HG2 ARG 4 HG2 ARG 4 41.432 14.357 10.466 42 HG3 ARG 4 HG1 ARG 4 42.041 13.443 11.866 43 HD2 ARG 4 HD2 ARG 4 40.723 12.172 9.430 44 HD3 ARG 4 HD1 ARG 4 42.482 12.309 9.660 45 HE ARG 4 HE ARG 4 40.735 10.391 10.979 46 HH11 ARG 4 HH11 ARG 4 43.882 11.479 10.517 47 HH12 ARG 4 HH12 ARG 4 44.513 10.817 11.988 48 HH21 ARG 4 HH21 ARG 4 41.406 9.889 13.215 49 HH22 ARG 4 HH22 ARG 4 43.111 9.917 13.515 50 H ILE 5 HN ILE 5 38.281 16.629 13.328 51 HA ILE 5 HA ILE 5 37.377 18.481 12.237 52 HB ILE 5 HB ILE 5 40.117 18.637 10.920 53 HG12 ILE 5 HG12 ILE 5 40.624 18.222 13.214 54 HG13 ILE 5 HG11 ILE 5 40.725 19.983 13.037 55 HG21 ILE 5 HG21 ILE 5 39.646 21.150 11.354 56 HG22 ILE 5 HG22 ILE 5 37.962 20.659 11.643 57 HG23 ILE 5 HG23 ILE 5 38.719 20.350 10.068 58 HD11 ILE 5 HD1 ILE 5 39.503 19.605 15.056 59 HD12 ILE 5 HD2 ILE 5 38.499 18.343 14.307 60 HD13 ILE 5 HD3 ILE 5 38.274 20.048 13.853 61 H GLY 6 HN GLY 6 36.065 16.813 10.968 62 HA2 GLY 6 HA1 GLY 6 35.088 16.255 8.948 63 HA3 GLY 6 HA2 GLY 6 35.886 17.685 8.265 64 H LYS 7 HN LYS 7 36.372 14.260 9.132 65 HA LYS 7 HA LYS 7 38.880 13.837 7.945 66 HB2 LYS 7 HB2 LYS 7 38.024 11.477 7.525 67 HB3 LYS 7 HB1 LYS 7 37.839 12.070 9.194 68 HG2 LYS 7 HG2 LYS 7 35.490 12.681 8.731 69 HG3 LYS 7 HG1 LYS 7 35.667 12.113 7.053 70 HD2 LYS 7 HD2 LYS 7 36.160 9.834 7.855 71 HD3 LYS 7 HD1 LYS 7 36.037 10.389 9.543 72 HE2 LYS 7 HE2 LYS 7 33.692 10.898 9.291 73 HE3 LYS 7 HE1 LYS 7 33.768 10.663 7.529 74 HZ1 LYS 7 HZ1 LYS 7 34.220 8.562 9.591 75 HZ2 LYS 7 HZ2 LYS 7 34.321 8.333 7.912 76 HZ3 LYS 7 HZ3 LYS 7 32.833 8.730 8.631 77 H GLY 8 HN GLY 8 39.662 13.433 5.925 78 HA2 GLY 8 HA1 GLY 8 38.180 12.811 3.621 79 HA3 GLY 8 HA2 GLY 8 38.215 14.582 3.717 80 H VAL 9 HN VAL 9 39.336 13.430 1.545 81 HA VAL 9 HA VAL 9 42.133 12.798 1.894 82 HB VAL 9 HB VAL 9 40.666 13.805 -0.586 83 HG11 VAL 9 HG11 VAL 9 42.604 12.593 -1.731 84 HG12 VAL 9 HG12 VAL 9 43.396 12.529 -0.138 85 HG13 VAL 9 HG13 VAL 9 43.041 14.101 -0.894 86 HG21 VAL 9 HG21 VAL 9 39.755 11.695 0.405 87 HG22 VAL 9 HG22 VAL 9 41.383 10.980 0.322 88 HG23 VAL 9 HG23 VAL 9 40.527 11.424 -1.175 89 H LYS 10 HN LYS 10 41.108 15.493 -0.195 90 HA LYS 10 HA LYS 10 42.241 17.574 1.454 91 HB2 LYS 10 HB2 LYS 10 44.348 16.369 0.835 92 HB3 LYS 10 HB1 LYS 10 43.972 16.662 -0.879 93 HG2 LYS 10 HG2 LYS 10 44.029 19.083 -0.523 94 HG3 LYS 10 HG1 LYS 10 44.268 18.849 1.226 95 HD2 LYS 10 HD2 LYS 10 46.429 17.789 0.843 96 HD3 LYS 10 HD1 LYS 10 46.177 17.825 -0.919 97 HE2 LYS 10 HE2 LYS 10 46.027 20.346 -0.771 98 HE3 LYS 10 HE1 LYS 10 46.493 20.219 0.943 99 HZ1 LYS 10 HZ1 LYS 10 48.422 20.620 -0.436 100 HZ2 LYS 10 HZ2 LYS 10 48.078 19.256 -1.389 101 HZ3 LYS 10 HZ3 LYS 10 48.519 19.068 0.241 102 H ILE 11 HN ILE 11 41.116 16.293 -1.596 103 HA ILE 11 HA ILE 11 40.080 19.020 -2.314 104 HB ILE 11 HB ILE 11 41.290 17.128 -4.372 105 HG12 ILE 11 HG12 ILE 11 42.548 19.565 -3.025 106 HG13 ILE 11 HG11 ILE 11 43.071 17.877 -2.823 107 HG21 ILE 11 HG21 ILE 11 39.527 18.905 -4.992 108 HG22 ILE 11 HG22 ILE 11 41.067 18.985 -5.876 109 HG23 ILE 11 HG23 ILE 11 40.746 20.122 -4.543 110 HD11 ILE 11 HD1 ILE 11 43.260 19.633 -5.292 111 HD12 ILE 11 HD2 ILE 11 43.343 17.858 -5.415 112 HD13 ILE 11 HD3 ILE 11 44.555 18.744 -4.459 113 H ILE 12 HN ILE 12 40.076 15.503 -2.959 114 HA ILE 12 HA ILE 12 37.345 15.658 -4.094 115 HB ILE 12 HB ILE 12 39.108 13.276 -3.410 116 HG12 ILE 12 HG12 ILE 12 39.984 14.979 -5.178 117 HG13 ILE 12 HG11 ILE 12 39.946 13.264 -5.627 118 HG21 ILE 12 HG21 ILE 12 37.603 12.120 -5.138 119 HG22 ILE 12 HG22 ILE 12 36.537 13.540 -5.019 120 HG23 ILE 12 HG23 ILE 12 36.835 12.527 -3.589 121 HD11 ILE 12 HD1 ILE 12 37.971 13.559 -6.968 122 HD12 ILE 12 HD2 ILE 12 39.065 14.895 -7.388 123 HD13 ILE 12 HD3 ILE 12 37.681 15.186 -6.317 124 H GLY 13 HN GLY 13 38.314 13.011 -1.955 125 HA2 GLY 13 HA1 GLY 13 35.910 13.154 -0.411 126 HA3 GLY 13 HA2 GLY 13 37.406 12.311 0.061 127 H GLY 14 HN GLY 14 38.488 15.130 -0.744 128 HA2 GLY 14 HA1 GLY 14 38.695 16.154 2.009 129 HA3 GLY 14 HA2 GLY 14 39.507 16.788 0.560 130 H ALA 15 HN ALA 15 37.425 17.255 -1.201 131 HA ALA 15 HA ALA 15 36.122 19.575 0.173 132 HB1 ALA 15 HB1 ALA 15 35.392 20.230 -2.030 133 HB2 ALA 15 HB2 ALA 15 35.841 18.649 -2.709 134 HB3 ALA 15 HB3 ALA 15 37.105 19.770 -2.139 135 H ALA 16 HN ALA 16 35.559 16.808 0.907 136 HA ALA 16 HA ALA 16 33.683 15.662 1.611 137 HB1 ALA 16 HB1 ALA 16 31.830 17.517 0.100 138 HB2 ALA 16 HB2 ALA 16 32.653 18.081 1.574 139 HB3 ALA 16 HB3 ALA 16 31.571 16.669 1.643 140 H LEU 17 HN LEU 17 35.187 14.942 -0.686 141 HA LEU 17 HA LEU 17 34.984 13.555 -2.542 142 HB2 LEU 17 HB2 LEU 17 33.250 12.565 -0.646 143 HB3 LEU 17 HB1 LEU 17 32.128 12.809 -1.998 144 HG LEU 17 HG LEU 17 34.747 11.239 -2.149 145 HD11 LEU 17 HD11 LEU 17 31.857 10.265 -2.127 146 HD12 LEU 17 HD12 LEU 17 32.974 10.165 -0.744 147 HD13 LEU 17 HD13 LEU 17 33.316 9.252 -2.234 148 HD21 LEU 17 HD21 LEU 17 32.468 11.696 -4.125 149 HD22 LEU 17 HD22 LEU 17 33.740 10.470 -4.339 150 HD23 LEU 17 HD23 LEU 17 34.167 12.198 -4.312 151 H ASP 18 HN ASP 18 33.936 16.414 -2.491 152 HA ASP 18 HA ASP 18 32.945 17.876 -3.985 153 HB2 ASP 18 HB2 ASP 18 34.504 16.762 -5.560 154 HB3 ASP 18 HB1 ASP 18 33.246 15.563 -5.941 155 H HIS 19 HN HIS 19 31.621 14.892 -5.440 156 HA HIS 19 HA HIS 19 29.039 15.825 -5.875 157 HB2 HIS 19 HB2 HIS 19 29.634 12.997 -4.940 158 HB3 HIS 19 HB1 HIS 19 28.357 13.541 -6.056 159 HD1 HIS 19 HD1 HIS 19 31.078 15.555 -7.030 160 HD2 HIS 19 HD2 HIS 19 30.301 11.446 -7.471 161 HE1 HIS 19 HE1 HIS 19 32.494 14.718 -8.985 162 H LEU 20 HN LEU 20 30.019 13.845 -3.028 163 HA LEU 20 HA LEU 20 28.447 15.496 -1.225 164 HB2 LEU 20 HB2 LEU 20 26.549 14.370 -2.203 165 HB3 LEU 20 HB1 LEU 20 27.354 12.791 -2.094 166 HG LEU 20 HG LEU 20 27.214 12.801 0.328 167 HD11 LEU 20 HD11 LEU 20 27.659 15.061 0.947 168 HD12 LEU 20 HD12 LEU 20 25.969 14.796 1.435 169 HD13 LEU 20 HD13 LEU 20 26.334 15.689 -0.062 170 HD21 LEU 20 HD21 LEU 20 25.168 12.167 -0.977 171 HD22 LEU 20 HD22 LEU 20 24.583 13.841 -0.816 172 HD23 LEU 20 HD23 LEU 20 24.784 12.824 0.632 Start of MODEL 25 1 H1 TRP 1 HT1 TRP 1 45.037 8.545 17.428 2 H2 TRP 1 HT2 TRP 1 45.607 10.120 17.713 3 H3 TRP 1 HT3 TRP 1 46.704 8.849 17.450 4 HA TRP 1 HA TRP 1 46.356 10.387 15.550 5 HB2 TRP 1 HB2 TRP 1 45.606 7.497 14.987 6 HB3 TRP 1 HB1 TRP 1 46.538 8.615 13.962 7 HD1 TRP 1 HD1 TRP 1 48.977 9.394 14.979 8 HE1 TRP 1 HE1 TRP 1 50.706 8.055 16.385 9 HE3 TRP 1 HE3 TRP 1 45.910 5.674 16.702 10 HZ2 TRP 1 HZ2 TRP 1 50.722 5.689 18.028 11 HZ3 TRP 1 HZ3 TRP 1 46.804 3.888 18.189 12 HH2 TRP 1 HH2 TRP 1 49.205 3.891 18.852 13 H LEU 2 HN LEU 2 45.017 10.606 13.571 14 HA LEU 2 HA LEU 2 42.403 11.439 14.179 15 HB2 LEU 2 HB2 LEU 2 43.888 11.850 12.067 16 HB3 LEU 2 HB1 LEU 2 43.155 10.356 11.444 17 HG LEU 2 HG LEU 2 40.862 11.549 12.155 18 HD11 LEU 2 HD11 LEU 2 42.758 13.905 11.720 19 HD12 LEU 2 HD12 LEU 2 41.905 13.513 13.232 20 HD13 LEU 2 HD13 LEU 2 40.984 14.013 11.797 21 HD21 LEU 2 HD21 LEU 2 42.474 12.410 9.709 22 HD22 LEU 2 HD22 LEU 2 40.705 12.520 9.882 23 HD23 LEU 2 HD23 LEU 2 41.498 10.927 9.839 24 H ARG 3 HN ARG 3 43.611 8.278 13.983 25 HA ARG 3 HA ARG 3 42.543 6.256 14.331 26 HB2 ARG 3 HB2 ARG 3 40.797 7.791 15.563 27 HB3 ARG 3 HB1 ARG 3 39.795 7.531 14.117 28 HG2 ARG 3 HG2 ARG 3 40.040 5.064 14.418 29 HG3 ARG 3 HG1 ARG 3 40.966 5.358 15.909 30 HD2 ARG 3 HD2 ARG 3 38.065 6.104 15.357 31 HD3 ARG 3 HD1 ARG 3 38.674 4.943 16.561 32 HE ARG 3 HE ARG 3 39.898 7.343 17.254 33 HH11 ARG 3 HH11 ARG 3 37.485 8.687 16.106 34 HH12 ARG 3 HH12 ARG 3 36.412 8.735 17.465 35 HH21 ARG 3 HH21 ARG 3 38.166 6.354 19.274 36 HH22 ARG 3 HH22 ARG 3 36.797 7.415 19.257 37 H ARG 4 HN ARG 4 40.973 8.406 11.942 38 HA ARG 4 HA ARG 4 40.306 6.095 10.210 39 HB2 ARG 4 HB2 ARG 4 39.971 9.103 9.885 40 HB3 ARG 4 HB1 ARG 4 39.441 7.895 8.688 41 HG2 ARG 4 HG2 ARG 4 37.969 6.847 10.354 42 HG3 ARG 4 HG1 ARG 4 38.540 7.982 11.601 43 HD2 ARG 4 HD2 ARG 4 37.610 9.876 10.384 44 HD3 ARG 4 HD1 ARG 4 37.171 8.830 9.013 45 HE ARG 4 HE ARG 4 35.227 8.263 10.212 46 HH11 ARG 4 HH11 ARG 4 35.210 6.820 12.320 47 HH12 ARG 4 HH12 ARG 4 35.339 7.787 13.751 48 HH21 ARG 4 HH21 ARG 4 36.483 10.596 12.070 49 HH22 ARG 4 HH22 ARG 4 36.061 9.924 13.610 50 H ILE 5 HN ILE 5 43.058 7.853 10.887 51 HA ILE 5 HA ILE 5 45.041 8.214 9.739 52 HB ILE 5 HB ILE 5 44.164 5.953 7.894 53 HG12 ILE 5 HG12 ILE 5 45.336 5.830 10.711 54 HG13 ILE 5 HG11 ILE 5 43.728 5.259 10.211 55 HG21 ILE 5 HG21 ILE 5 46.515 5.555 7.642 56 HG22 ILE 5 HG22 ILE 5 46.919 6.620 9.010 57 HG23 ILE 5 HG23 ILE 5 46.314 7.315 7.488 58 HD11 ILE 5 HD1 ILE 5 46.450 4.107 9.508 59 HD12 ILE 5 HD2 ILE 5 45.011 3.742 8.522 60 HD13 ILE 5 HD3 ILE 5 45.053 3.290 10.243 61 H GLY 6 HN GLY 6 43.767 10.228 9.047 62 HA2 GLY 6 HA1 GLY 6 43.652 11.811 7.346 63 HA3 GLY 6 HA2 GLY 6 44.293 10.611 6.208 64 H LYS 7 HN LYS 7 41.337 11.497 8.029 65 HA LYS 7 HA LYS 7 39.490 9.900 6.640 66 HB2 LYS 7 HB2 LYS 7 38.899 11.261 8.600 67 HB3 LYS 7 HB1 LYS 7 39.127 12.751 7.652 68 HG2 LYS 7 HG2 LYS 7 37.281 12.206 6.195 69 HG3 LYS 7 HG1 LYS 7 37.165 10.559 6.861 70 HD2 LYS 7 HD2 LYS 7 36.417 11.396 9.003 71 HD3 LYS 7 HD1 LYS 7 36.761 13.076 8.527 72 HE2 LYS 7 HE2 LYS 7 34.689 11.247 7.235 73 HE3 LYS 7 HE1 LYS 7 34.342 12.593 8.347 74 HZ1 LYS 7 HZ1 LYS 7 35.122 12.647 5.545 75 HZ2 LYS 7 HZ2 LYS 7 35.867 13.813 6.531 76 HZ3 LYS 7 HZ3 LYS 7 34.173 13.737 6.432 77 H GLY 8 HN GLY 8 39.527 13.405 5.997 78 HA2 GLY 8 HA1 GLY 8 38.623 12.977 3.280 79 HA3 GLY 8 HA2 GLY 8 39.086 14.524 4.013 80 H VAL 9 HN VAL 9 39.655 13.329 1.333 81 HA VAL 9 HA VAL 9 42.461 12.615 1.293 82 HB VAL 9 HB VAL 9 40.658 13.670 -0.934 83 HG11 VAL 9 HG11 VAL 9 43.446 12.443 -0.925 84 HG12 VAL 9 HG12 VAL 9 42.948 14.014 -1.599 85 HG13 VAL 9 HG13 VAL 9 42.421 12.503 -2.380 86 HG21 VAL 9 HG21 VAL 9 40.529 11.272 -1.563 87 HG22 VAL 9 HG22 VAL 9 39.890 11.544 0.077 88 HG23 VAL 9 HG23 VAL 9 41.515 10.850 -0.142 89 H LYS 10 HN LYS 10 41.235 15.346 -0.619 90 HA LYS 10 HA LYS 10 42.594 17.385 0.900 91 HB2 LYS 10 HB2 LYS 10 44.583 16.149 0.008 92 HB3 LYS 10 HB1 LYS 10 43.998 16.458 -1.639 93 HG2 LYS 10 HG2 LYS 10 45.689 18.119 -1.073 94 HG3 LYS 10 HG1 LYS 10 44.112 18.925 -1.185 95 HD2 LYS 10 HD2 LYS 10 43.954 19.249 1.146 96 HD3 LYS 10 HD1 LYS 10 45.063 17.907 1.515 97 HE2 LYS 10 HE2 LYS 10 46.965 19.216 0.668 98 HE3 LYS 10 HE1 LYS 10 45.872 20.539 0.199 99 HZ1 LYS 10 HZ1 LYS 10 46.924 20.954 2.343 100 HZ2 LYS 10 HZ2 LYS 10 46.266 19.518 2.971 101 HZ3 LYS 10 HZ3 LYS 10 45.245 20.797 2.515 102 H ILE 11 HN ILE 11 41.052 16.148 -1.969 103 HA ILE 11 HA ILE 11 39.985 18.898 -2.545 104 HB ILE 11 HB ILE 11 40.808 16.956 -4.745 105 HG12 ILE 11 HG12 ILE 11 42.349 19.316 -3.568 106 HG13 ILE 11 HG11 ILE 11 42.837 17.605 -3.523 107 HG21 ILE 11 HG21 ILE 11 40.432 18.818 -6.207 108 HG22 ILE 11 HG22 ILE 11 40.364 19.969 -4.851 109 HG23 ILE 11 HG23 ILE 11 39.043 18.804 -5.099 110 HD11 ILE 11 HD1 ILE 11 42.688 17.700 -6.123 111 HD12 ILE 11 HD2 ILE 11 44.068 18.508 -5.342 112 HD13 ILE 11 HD3 ILE 11 42.685 19.469 -5.916 113 H ILE 12 HN ILE 12 39.786 15.388 -3.220 114 HA ILE 12 HA ILE 12 36.961 15.570 -3.990 115 HB ILE 12 HB ILE 12 38.738 13.213 -3.272 116 HG12 ILE 12 HG12 ILE 12 37.886 13.950 -6.105 117 HG13 ILE 12 HG11 ILE 12 39.261 14.792 -5.357 118 HG21 ILE 12 HG21 ILE 12 36.574 12.301 -3.102 119 HG22 ILE 12 HG22 ILE 12 36.887 12.045 -4.828 120 HG23 ILE 12 HG23 ILE 12 35.890 13.418 -4.305 121 HD11 ILE 12 HD1 ILE 12 40.318 12.556 -4.889 122 HD12 ILE 12 HD2 ILE 12 40.103 12.888 -6.623 123 HD13 ILE 12 HD3 ILE 12 38.993 11.780 -5.788 124 H GLY 13 HN GLY 13 38.032 13.069 -1.735 125 HA2 GLY 13 HA1 GLY 13 35.806 13.377 0.018 126 HA3 GLY 13 HA2 GLY 13 37.342 12.577 0.421 127 H GLY 14 HN GLY 14 38.378 15.275 -0.711 128 HA2 GLY 14 HA1 GLY 14 38.810 16.541 1.914 129 HA3 GLY 14 HA2 GLY 14 39.495 17.042 0.351 130 H ALA 15 HN ALA 15 37.269 17.394 -1.252 131 HA ALA 15 HA ALA 15 36.083 19.821 0.050 132 HB1 ALA 15 HB1 ALA 15 35.628 18.729 -2.753 133 HB2 ALA 15 HB2 ALA 15 36.925 19.877 -2.327 134 HB3 ALA 15 HB3 ALA 15 35.220 20.347 -2.142 135 H ALA 16 HN ALA 16 35.573 17.066 0.922 136 HA ALA 16 HA ALA 16 33.739 15.981 1.820 137 HB1 ALA 16 HB1 ALA 16 31.640 16.999 1.944 138 HB2 ALA 16 HB2 ALA 16 31.783 17.749 0.338 139 HB3 ALA 16 HB3 ALA 16 32.706 18.402 1.712 140 H LEU 17 HN LEU 17 35.090 15.062 -0.436 141 HA LEU 17 HA LEU 17 34.788 13.463 -2.095 142 HB2 LEU 17 HB2 LEU 17 33.026 12.667 -0.304 143 HB3 LEU 17 HB1 LEU 17 31.830 13.283 -1.462 144 HG LEU 17 HG LEU 17 33.244 11.838 -3.223 145 HD11 LEU 17 HD11 LEU 17 34.117 9.754 -2.177 146 HD12 LEU 17 HD12 LEU 17 33.817 10.445 -0.564 147 HD13 LEU 17 HD13 LEU 17 35.029 11.182 -1.639 148 HD21 LEU 17 HD21 LEU 17 31.360 10.596 -1.164 149 HD22 LEU 17 HD22 LEU 17 31.759 9.895 -2.751 150 HD23 LEU 17 HD23 LEU 17 30.875 11.437 -2.656 151 H ASP 18 HN ASP 18 34.007 16.445 -2.340 152 HA ASP 18 HA ASP 18 33.302 17.836 -4.047 153 HB2 ASP 18 HB2 ASP 18 34.863 16.319 -5.334 154 HB3 ASP 18 HB1 ASP 18 33.440 15.371 -5.825 155 H HIS 19 HN HIS 19 31.796 14.840 -5.314 156 HA HIS 19 HA HIS 19 29.339 16.041 -5.976 157 HB2 HIS 19 HB2 HIS 19 29.650 13.176 -5.012 158 HB3 HIS 19 HB1 HIS 19 28.455 13.817 -6.165 159 HD1 HIS 19 HD1 HIS 19 30.500 15.627 -7.799 160 HD2 HIS 19 HD2 HIS 19 31.068 11.571 -6.837 161 HE1 HIS 19 HE1 HIS 19 32.129 14.658 -9.514 162 H LEU 20 HN LEU 20 29.863 13.873 -3.152 163 HA LEU 20 HA LEU 20 27.405 14.680 -1.891 164 HB2 LEU 20 HB2 LEU 20 28.968 12.568 -1.541 165 HB3 LEU 20 HB1 LEU 20 29.762 13.589 -0.325 166 HG LEU 20 HG LEU 20 26.802 12.842 -0.422 167 HD11 LEU 20 HD11 LEU 20 28.471 11.089 0.338 168 HD12 LEU 20 HD12 LEU 20 27.277 11.554 1.573 169 HD13 LEU 20 HD13 LEU 20 28.938 12.193 1.654 170 HD21 LEU 20 HD21 LEU 20 28.388 14.745 1.351 171 HD22 LEU 20 HD22 LEU 20 26.874 13.993 1.909 172 HD23 LEU 20 HD23 LEU 20 26.866 15.049 0.480 Start of MODEL 26 1 H1 TRP 1 HT1 TRP 1 39.056 -0.311 7.584 2 H2 TRP 1 HT2 TRP 1 38.422 -0.656 9.124 3 H3 TRP 1 HT3 TRP 1 39.547 0.602 8.925 4 HA TRP 1 HA TRP 1 36.976 1.013 9.100 5 HB2 TRP 1 HB2 TRP 1 38.820 2.517 7.203 6 HB3 TRP 1 HB1 TRP 1 37.379 3.162 8.025 7 HD1 TRP 1 HD1 TRP 1 37.582 3.792 10.554 8 HE1 TRP 1 HE1 TRP 1 39.575 4.038 12.206 9 HE3 TRP 1 HE3 TRP 1 41.217 1.486 7.783 10 HZ2 TRP 1 HZ2 TRP 1 42.362 3.317 12.283 11 HZ3 TRP 1 HZ3 TRP 1 43.536 1.277 8.666 12 HH2 TRP 1 HH2 TRP 1 44.111 2.189 10.912 13 H LEU 2 HN LEU 2 35.641 2.241 7.259 14 HA LEU 2 HA LEU 2 34.794 0.125 5.459 15 HB2 LEU 2 HB2 LEU 2 33.422 2.071 6.577 16 HB3 LEU 2 HB1 LEU 2 33.990 3.037 5.200 17 HG LEU 2 HG LEU 2 33.111 0.973 3.754 18 HD11 LEU 2 HD11 LEU 2 31.064 -0.039 4.798 19 HD12 LEU 2 HD12 LEU 2 31.511 0.717 6.345 20 HD13 LEU 2 HD13 LEU 2 32.562 -0.524 5.622 21 HD21 LEU 2 HD21 LEU 2 32.168 3.231 3.604 22 HD22 LEU 2 HD22 LEU 2 31.266 2.986 5.120 23 HD23 LEU 2 HD23 LEU 2 30.844 2.044 3.669 24 H ARG 3 HN ARG 3 37.361 2.213 5.379 25 HA ARG 3 HA ARG 3 38.941 2.550 3.711 26 HB2 ARG 3 HB2 ARG 3 37.846 0.392 2.657 27 HB3 ARG 3 HB1 ARG 3 37.075 1.541 1.539 28 HG2 ARG 3 HG2 ARG 3 39.351 2.480 1.016 29 HG3 ARG 3 HG1 ARG 3 40.067 1.196 2.021 30 HD2 ARG 3 HD2 ARG 3 39.007 -0.522 0.580 31 HD3 ARG 3 HD1 ARG 3 38.303 0.763 -0.430 32 HE ARG 3 HE ARG 3 41.177 1.060 -0.224 33 HH11 ARG 3 HH11 ARG 3 39.663 1.497 -2.744 34 HH12 ARG 3 HH12 ARG 3 40.122 0.127 -3.701 35 HH21 ARG 3 HH21 ARG 3 41.338 -1.683 -1.005 36 HH22 ARG 3 HH22 ARG 3 41.068 -1.673 -2.716 37 H ARG 4 HN ARG 4 35.704 3.633 3.692 38 HA ARG 4 HA ARG 4 36.553 6.232 2.590 39 HB2 ARG 4 HB2 ARG 4 34.695 6.252 0.890 40 HB3 ARG 4 HB1 ARG 4 36.018 5.126 0.503 41 HG2 ARG 4 HG2 ARG 4 34.714 3.248 1.434 42 HG3 ARG 4 HG1 ARG 4 33.396 4.365 1.863 43 HD2 ARG 4 HD2 ARG 4 33.266 5.005 -0.593 44 HD3 ARG 4 HD1 ARG 4 34.401 3.674 -0.928 45 HE ARG 4 HE ARG 4 32.109 2.780 0.623 46 HH11 ARG 4 HH11 ARG 4 33.551 1.343 -1.656 47 HH12 ARG 4 HH12 ARG 4 32.314 1.322 -2.868 48 HH21 ARG 4 HH21 ARG 4 30.373 3.734 -1.308 49 HH22 ARG 4 HH22 ARG 4 30.514 2.675 -2.670 50 H ILE 5 HN ILE 5 35.520 5.060 5.115 51 HA ILE 5 HA ILE 5 32.760 5.696 5.469 52 HB ILE 5 HB ILE 5 34.166 4.413 7.115 53 HG12 ILE 5 HG12 ILE 5 32.825 6.903 8.269 54 HG13 ILE 5 HG11 ILE 5 31.958 5.456 7.707 55 HG21 ILE 5 HG21 ILE 5 36.109 6.089 6.934 56 HG22 ILE 5 HG22 ILE 5 35.701 5.530 8.572 57 HG23 ILE 5 HG23 ILE 5 35.172 7.138 8.023 58 HD11 ILE 5 HD1 ILE 5 33.461 4.131 9.354 59 HD12 ILE 5 HD2 ILE 5 32.184 5.149 10.057 60 HD13 ILE 5 HD3 ILE 5 33.871 5.715 10.055 61 H GLY 6 HN GLY 6 35.695 7.666 5.537 62 HA2 GLY 6 HA1 GLY 6 34.348 10.083 4.951 63 HA3 GLY 6 HA2 GLY 6 34.534 10.003 6.714 64 H LYS 7 HN LYS 7 36.926 8.310 4.938 65 HA LYS 7 HA LYS 7 39.043 9.954 5.958 66 HB2 LYS 7 HB2 LYS 7 39.150 7.505 5.226 67 HB3 LYS 7 HB1 LYS 7 39.227 8.103 3.551 68 HG2 LYS 7 HG2 LYS 7 41.199 9.573 4.330 69 HG3 LYS 7 HG1 LYS 7 41.206 8.589 5.813 70 HD2 LYS 7 HD2 LYS 7 41.528 7.552 2.960 71 HD3 LYS 7 HD1 LYS 7 42.812 7.674 4.186 72 HE2 LYS 7 HE2 LYS 7 41.283 6.163 5.656 73 HE3 LYS 7 HE1 LYS 7 40.405 5.822 4.144 74 HZ1 LYS 7 HZ1 LYS 7 42.275 4.857 3.193 75 HZ2 LYS 7 HZ2 LYS 7 42.335 4.298 4.795 76 HZ3 LYS 7 HZ3 LYS 7 43.350 5.566 4.297 77 H GLY 8 HN GLY 8 38.626 12.111 5.384 78 HA2 GLY 8 HA1 GLY 8 38.257 12.895 2.619 79 HA3 GLY 8 HA2 GLY 8 38.612 13.966 3.989 80 H VAL 9 HN VAL 9 39.698 13.120 1.059 81 HA VAL 9 HA VAL 9 42.500 12.623 1.537 82 HB VAL 9 HB VAL 9 41.096 13.813 -0.900 83 HG11 VAL 9 HG11 VAL 9 43.209 12.941 -2.059 84 HG12 VAL 9 HG12 VAL 9 43.926 12.783 -0.437 85 HG13 VAL 9 HG13 VAL 9 43.432 14.382 -1.041 86 HG21 VAL 9 HG21 VAL 9 41.172 11.544 -1.775 87 HG22 VAL 9 HG22 VAL 9 40.399 11.493 -0.173 88 HG23 VAL 9 HG23 VAL 9 42.093 10.982 -0.361 89 H LYS 10 HN LYS 10 41.441 15.478 -0.294 90 HA LYS 10 HA LYS 10 42.313 17.407 1.672 91 HB2 LYS 10 HB2 LYS 10 44.526 16.382 1.025 92 HB3 LYS 10 HB1 LYS 10 44.240 16.954 -0.637 93 HG2 LYS 10 HG2 LYS 10 44.087 19.279 0.163 94 HG3 LYS 10 HG1 LYS 10 44.310 18.729 1.842 95 HD2 LYS 10 HD2 LYS 10 46.539 17.870 1.311 96 HD3 LYS 10 HD1 LYS 10 46.318 18.282 -0.408 97 HE2 LYS 10 HE2 LYS 10 47.670 19.980 0.894 98 HE3 LYS 10 HE1 LYS 10 46.224 20.653 0.102 99 HZ1 LYS 10 HZ1 LYS 10 46.462 21.391 2.415 100 HZ2 LYS 10 HZ2 LYS 10 46.369 19.780 2.947 101 HZ3 LYS 10 HZ3 LYS 10 45.036 20.504 2.181 102 H ILE 11 HN ILE 11 41.440 16.439 -1.564 103 HA ILE 11 HA ILE 11 40.375 19.214 -2.064 104 HB ILE 11 HB ILE 11 41.534 17.437 -4.252 105 HG12 ILE 11 HG12 ILE 11 42.868 19.695 -2.685 106 HG13 ILE 11 HG11 ILE 11 43.354 17.983 -2.694 107 HG21 ILE 11 HG21 ILE 11 41.090 20.450 -4.198 108 HG22 ILE 11 HG22 ILE 11 39.829 19.310 -4.726 109 HG23 ILE 11 HG23 ILE 11 41.369 19.404 -5.610 110 HD11 ILE 11 HD1 ILE 11 44.837 19.011 -4.237 111 HD12 ILE 11 HD2 ILE 11 43.550 20.017 -4.940 112 HD13 ILE 11 HD3 ILE 11 43.596 18.268 -5.272 113 H ILE 12 HN ILE 12 40.336 15.791 -3.154 114 HA ILE 12 HA ILE 12 37.611 16.057 -4.211 115 HB ILE 12 HB ILE 12 39.287 13.601 -3.602 116 HG12 ILE 12 HG12 ILE 12 40.549 14.959 -5.129 117 HG13 ILE 12 HG11 ILE 12 39.815 13.666 -6.097 118 HG21 ILE 12 HG21 ILE 12 37.120 12.761 -3.936 119 HG22 ILE 12 HG22 ILE 12 37.748 12.717 -5.595 120 HG23 ILE 12 HG23 ILE 12 36.673 14.039 -5.084 121 HD11 ILE 12 HD1 ILE 12 37.884 15.402 -6.514 122 HD12 ILE 12 HD2 ILE 12 39.415 15.600 -7.393 123 HD13 ILE 12 HD3 ILE 12 39.074 16.606 -5.968 124 H GLY 13 HN GLY 13 38.414 13.242 -2.234 125 HA2 GLY 13 HA1 GLY 13 35.998 13.307 -0.741 126 HA3 GLY 13 HA2 GLY 13 37.488 12.467 -0.257 127 H GLY 14 HN GLY 14 38.613 15.290 -0.839 128 HA2 GLY 14 HA1 GLY 14 38.670 16.172 1.965 129 HA3 GLY 14 HA2 GLY 14 39.543 16.892 0.593 130 H ALA 15 HN ALA 15 37.551 17.478 -1.228 131 HA ALA 15 HA ALA 15 36.179 19.706 0.218 132 HB1 ALA 15 HB1 ALA 15 37.242 20.071 -2.023 133 HB2 ALA 15 HB2 ALA 15 35.509 20.462 -1.987 134 HB3 ALA 15 HB3 ALA 15 36.058 18.941 -2.725 135 H ALA 16 HN ALA 16 35.594 16.870 0.719 136 HA ALA 16 HA ALA 16 33.678 15.729 1.318 137 HB1 ALA 16 HB1 ALA 16 31.568 16.730 1.288 138 HB2 ALA 16 HB2 ALA 16 31.883 17.608 -0.227 139 HB3 ALA 16 HB3 ALA 16 32.638 18.151 1.290 140 H LEU 17 HN LEU 17 35.312 15.154 -0.972 141 HA LEU 17 HA LEU 17 35.204 13.824 -2.890 142 HB2 LEU 17 HB2 LEU 17 33.726 12.536 -1.124 143 HB3 LEU 17 HB1 LEU 17 32.366 13.055 -2.140 144 HG LEU 17 HG LEU 17 33.907 12.082 -4.123 145 HD11 LEU 17 HD11 LEU 17 34.733 10.267 -1.820 146 HD12 LEU 17 HD12 LEU 17 35.765 11.597 -2.389 147 HD13 LEU 17 HD13 LEU 17 35.334 10.273 -3.495 148 HD21 LEU 17 HD21 LEU 17 32.257 10.423 -2.164 149 HD22 LEU 17 HD22 LEU 17 32.813 9.821 -3.744 150 HD23 LEU 17 HD23 LEU 17 31.694 11.203 -3.660 151 H ASP 18 HN ASP 18 33.702 16.597 -2.619 152 HA ASP 18 HA ASP 18 32.608 18.017 -4.079 153 HB2 ASP 18 HB2 ASP 18 33.361 15.989 -6.220 154 HB3 ASP 18 HB1 ASP 18 32.969 17.707 -6.456 155 H HIS 19 HN HIS 19 31.894 14.985 -5.850 156 HA HIS 19 HA HIS 19 29.206 15.583 -6.371 157 HB2 HIS 19 HB2 HIS 19 30.505 13.683 -7.354 158 HB3 HIS 19 HB1 HIS 19 30.333 12.812 -5.811 159 HD1 HIS 19 HD1 HIS 19 28.037 11.811 -5.217 160 HD2 HIS 19 HD2 HIS 19 28.000 14.067 -8.766 161 HE1 HIS 19 HE1 HIS 19 25.820 11.339 -6.398 162 H LEU 20 HN LEU 20 30.592 13.864 -3.551 163 HA LEU 20 HA LEU 20 28.413 14.778 -1.860 164 HB2 LEU 20 HB2 LEU 20 27.534 12.734 -3.311 165 HB3 LEU 20 HB1 LEU 20 28.472 11.759 -2.160 166 HG LEU 20 HG LEU 20 26.233 13.728 -1.495 167 HD11 LEU 20 HD11 LEU 20 25.041 11.731 -0.745 168 HD12 LEU 20 HD12 LEU 20 26.461 10.713 -1.085 169 HD13 LEU 20 HD13 LEU 20 25.579 11.485 -2.424 170 HD21 LEU 20 HD21 LEU 20 26.601 12.727 0.868 171 HD22 LEU 20 HD22 LEU 20 27.797 13.917 0.305 172 HD23 LEU 20 HD23 LEU 20 28.182 12.178 0.262 Start of MODEL 27 1 H1 TRP 1 HT1 TRP 1 33.970 18.969 16.389 2 H2 TRP 1 HT2 TRP 1 35.039 20.155 16.972 3 H3 TRP 1 HT3 TRP 1 35.642 18.699 16.334 4 HA TRP 1 HA TRP 1 33.958 20.384 14.657 5 HB2 TRP 1 HB2 TRP 1 36.907 20.864 15.243 6 HB3 TRP 1 HB1 TRP 1 35.988 21.620 13.920 7 HD1 TRP 1 HD1 TRP 1 36.513 21.741 17.672 8 HE1 TRP 1 HE1 TRP 1 35.258 23.781 18.684 9 HE3 TRP 1 HE3 TRP 1 33.840 23.171 13.547 10 HZ2 TRP 1 HZ2 TRP 1 33.355 25.751 17.792 11 HZ3 TRP 1 HZ3 TRP 1 32.311 25.134 13.650 12 HH2 TRP 1 HH2 TRP 1 32.067 26.424 15.766 13 H LEU 2 HN LEU 2 33.925 17.731 14.475 14 HA LEU 2 HA LEU 2 34.323 15.989 12.997 15 HB2 LEU 2 HB2 LEU 2 35.807 17.977 11.260 16 HB3 LEU 2 HB1 LEU 2 34.969 16.494 10.756 17 HG LEU 2 HG LEU 2 33.659 18.995 11.918 18 HD11 LEU 2 HD11 LEU 2 32.652 19.165 9.655 19 HD12 LEU 2 HD12 LEU 2 33.591 17.746 9.135 20 HD13 LEU 2 HD13 LEU 2 34.428 19.251 9.585 21 HD21 LEU 2 HD21 LEU 2 32.583 16.251 11.150 22 HD22 LEU 2 HD22 LEU 2 31.538 17.691 11.151 23 HD23 LEU 2 HD23 LEU 2 32.322 17.164 12.656 24 H ARG 3 HN ARG 3 36.756 17.670 14.536 25 HA ARG 3 HA ARG 3 38.875 17.073 15.224 26 HB2 ARG 3 HB2 ARG 3 38.426 14.348 13.955 27 HB3 ARG 3 HB1 ARG 3 39.524 14.773 15.284 28 HG2 ARG 3 HG2 ARG 3 37.550 15.403 16.681 29 HG3 ARG 3 HG1 ARG 3 36.477 14.868 15.367 30 HD2 ARG 3 HD2 ARG 3 37.407 12.592 15.500 31 HD3 ARG 3 HD1 ARG 3 38.536 13.113 16.774 32 HE ARG 3 HE ARG 3 36.761 12.787 18.280 33 HH11 ARG 3 HH11 ARG 3 35.216 15.129 17.177 34 HH12 ARG 3 HH12 ARG 3 33.712 14.388 16.745 35 HH21 ARG 3 HH21 ARG 3 34.970 11.158 16.849 36 HH22 ARG 3 HH22 ARG 3 33.573 12.139 16.558 37 H ARG 4 HN ARG 4 38.659 15.066 12.257 38 HA ARG 4 HA ARG 4 41.231 16.050 11.340 39 HB2 ARG 4 HB2 ARG 4 39.054 14.462 9.924 40 HB3 ARG 4 HB1 ARG 4 40.686 14.755 9.278 41 HG2 ARG 4 HG2 ARG 4 41.640 13.693 11.351 42 HG3 ARG 4 HG1 ARG 4 39.982 13.286 11.855 43 HD2 ARG 4 HD2 ARG 4 39.661 11.963 9.799 44 HD3 ARG 4 HD1 ARG 4 41.296 12.398 9.248 45 HE ARG 4 HE ARG 4 41.625 11.237 11.789 46 HH11 ARG 4 HH11 ARG 4 41.963 10.414 8.637 47 HH12 ARG 4 HH12 ARG 4 41.612 8.727 8.815 48 HH21 ARG 4 HH21 ARG 4 40.461 9.039 12.071 49 HH22 ARG 4 HH22 ARG 4 40.759 7.949 10.759 50 H ILE 5 HN ILE 5 38.594 17.793 11.675 51 HA ILE 5 HA ILE 5 37.477 19.447 10.445 52 HB ILE 5 HB ILE 5 39.058 21.222 9.645 53 HG12 ILE 5 HG12 ILE 5 41.243 19.271 10.522 54 HG13 ILE 5 HG11 ILE 5 40.818 19.570 8.823 55 HG21 ILE 5 HG21 ILE 5 38.372 20.882 12.076 56 HG22 ILE 5 HG22 ILE 5 39.909 21.742 11.846 57 HG23 ILE 5 HG23 ILE 5 39.912 20.025 12.317 58 HD11 ILE 5 HD1 ILE 5 42.020 21.496 10.839 59 HD12 ILE 5 HD2 ILE 5 41.214 22.083 9.364 60 HD13 ILE 5 HD3 ILE 5 42.642 21.030 9.240 61 H GLY 6 HN GLY 6 37.924 16.969 8.875 62 HA2 GLY 6 HA1 GLY 6 36.786 17.508 6.485 63 HA3 GLY 6 HA2 GLY 6 38.466 17.967 6.139 64 H LYS 7 HN LYS 7 36.696 15.288 7.767 65 HA LYS 7 HA LYS 7 38.649 13.303 7.406 66 HB2 LYS 7 HB2 LYS 7 36.549 11.730 7.274 67 HB3 LYS 7 HB1 LYS 7 36.817 12.688 8.748 68 HG2 LYS 7 HG2 LYS 7 35.183 14.318 8.123 69 HG3 LYS 7 HG1 LYS 7 35.102 13.712 6.453 70 HD2 LYS 7 HD2 LYS 7 34.119 11.597 7.236 71 HD3 LYS 7 HD1 LYS 7 34.260 12.138 8.926 72 HE2 LYS 7 HE2 LYS 7 32.689 13.678 6.821 73 HE3 LYS 7 HE1 LYS 7 31.953 12.441 7.868 74 HZ1 LYS 7 HZ1 LYS 7 31.757 14.725 8.749 75 HZ2 LYS 7 HZ2 LYS 7 33.450 14.816 8.860 76 HZ3 LYS 7 HZ3 LYS 7 32.593 13.686 9.797 77 H GLY 8 HN GLY 8 39.744 13.388 5.467 78 HA2 GLY 8 HA1 GLY 8 38.777 11.809 3.345 79 HA3 GLY 8 HA2 GLY 8 38.420 13.494 2.917 80 H VAL 9 HN VAL 9 39.864 13.055 1.095 81 HA VAL 9 HA VAL 9 42.705 12.636 1.650 82 HB VAL 9 HB VAL 9 41.294 13.558 -0.897 83 HG11 VAL 9 HG11 VAL 9 43.458 12.666 -1.937 84 HG12 VAL 9 HG12 VAL 9 44.140 12.654 -0.293 85 HG13 VAL 9 HG13 VAL 9 43.618 14.188 -1.028 86 HG21 VAL 9 HG21 VAL 9 42.344 10.815 -0.067 87 HG22 VAL 9 HG22 VAL 9 41.503 11.216 -1.583 88 HG23 VAL 9 HG23 VAL 9 40.631 11.293 -0.034 89 H LYS 10 HN LYS 10 41.412 15.282 -0.366 90 HA LYS 10 HA LYS 10 42.231 17.392 1.433 91 HB2 LYS 10 HB2 LYS 10 44.479 16.470 0.757 92 HB3 LYS 10 HB1 LYS 10 44.090 16.902 -0.925 93 HG2 LYS 10 HG2 LYS 10 43.855 19.259 -0.312 94 HG3 LYS 10 HG1 LYS 10 44.099 18.868 1.407 95 HD2 LYS 10 HD2 LYS 10 46.372 18.007 0.880 96 HD3 LYS 10 HD1 LYS 10 46.130 18.439 -0.831 97 HE2 LYS 10 HE2 LYS 10 46.095 20.374 1.528 98 HE3 LYS 10 HE1 LYS 10 47.400 20.209 0.329 99 HZ1 LYS 10 HZ1 LYS 10 46.283 21.771 -0.784 100 HZ2 LYS 10 HZ2 LYS 10 44.859 21.557 0.116 101 HZ3 LYS 10 HZ3 LYS 10 45.192 20.542 -1.205 102 H ILE 11 HN ILE 11 41.358 16.179 -1.736 103 HA ILE 11 HA ILE 11 40.180 18.881 -2.409 104 HB ILE 11 HB ILE 11 41.095 16.814 -4.450 105 HG12 ILE 11 HG12 ILE 11 42.616 19.211 -3.326 106 HG13 ILE 11 HG11 ILE 11 43.062 17.499 -3.138 107 HG21 ILE 11 HG21 ILE 11 40.718 19.822 -4.739 108 HG22 ILE 11 HG22 ILE 11 39.389 18.667 -4.996 109 HG23 ILE 11 HG23 ILE 11 40.837 18.599 -6.026 110 HD11 ILE 11 HD1 ILE 11 44.417 18.254 -4.937 111 HD12 ILE 11 HD2 ILE 11 43.092 19.197 -5.656 112 HD13 ILE 11 HD3 ILE 11 43.068 17.417 -5.741 113 H ILE 12 HN ILE 12 39.993 15.371 -3.168 114 HA ILE 12 HA ILE 12 37.198 15.587 -3.979 115 HB ILE 12 HB ILE 12 38.868 13.167 -3.219 116 HG12 ILE 12 HG12 ILE 12 39.988 14.363 -5.005 117 HG13 ILE 12 HG11 ILE 12 39.227 12.924 -5.709 118 HG21 ILE 12 HG21 ILE 12 36.706 12.284 -3.297 119 HG22 ILE 12 HG22 ILE 12 37.123 12.150 -5.018 120 HG23 ILE 12 HG23 ILE 12 36.119 13.504 -4.448 121 HD11 ILE 12 HD1 ILE 12 37.210 14.544 -6.215 122 HD12 ILE 12 HD2 ILE 12 38.655 14.620 -7.245 123 HD13 ILE 12 HD3 ILE 12 38.411 15.833 -5.970 124 H GLY 13 HN GLY 13 37.989 12.943 -1.810 125 HA2 GLY 13 HA1 GLY 13 35.723 13.261 -0.166 126 HA3 GLY 13 HA2 GLY 13 37.222 12.441 0.320 127 H GLY 14 HN GLY 14 38.421 15.119 -0.588 128 HA2 GLY 14 HA1 GLY 14 38.634 16.293 2.089 129 HA3 GLY 14 HA2 GLY 14 39.441 16.849 0.605 130 H ALA 15 HN ALA 15 37.364 17.297 -1.156 131 HA ALA 15 HA ALA 15 36.093 19.677 0.150 132 HB1 ALA 15 HB1 ALA 15 35.824 18.683 -2.713 133 HB2 ALA 15 HB2 ALA 15 37.079 19.821 -2.159 134 HB3 ALA 15 HB3 ALA 15 35.363 20.276 -2.076 135 H ALA 16 HN ALA 16 35.500 16.909 0.913 136 HA ALA 16 HA ALA 16 33.603 15.821 1.657 137 HB1 ALA 16 HB1 ALA 16 31.504 16.853 1.659 138 HB2 ALA 16 HB2 ALA 16 31.767 17.642 0.087 139 HB3 ALA 16 HB3 ALA 16 32.596 18.252 1.538 140 H LEU 17 HN LEU 17 35.115 15.057 -0.631 141 HA LEU 17 HA LEU 17 34.919 13.560 -2.398 142 HB2 LEU 17 HB2 LEU 17 33.078 12.715 -0.540 143 HB3 LEU 17 HB1 LEU 17 32.012 12.962 -1.937 144 HG LEU 17 HG LEU 17 34.562 11.274 -1.948 145 HD11 LEU 17 HD11 LEU 17 33.020 9.354 -2.046 146 HD12 LEU 17 HD12 LEU 17 31.624 10.453 -1.953 147 HD13 LEU 17 HD13 LEU 17 32.732 10.303 -0.568 148 HD21 LEU 17 HD21 LEU 17 34.077 12.199 -4.157 149 HD22 LEU 17 HD22 LEU 17 32.362 11.743 -4.011 150 HD23 LEU 17 HD23 LEU 17 33.611 10.483 -4.146 151 H ASP 18 HN ASP 18 34.117 16.442 -2.592 152 HA ASP 18 HA ASP 18 33.285 17.873 -4.206 153 HB2 ASP 18 HB2 ASP 18 34.690 16.397 -5.669 154 HB3 ASP 18 HB1 ASP 18 33.243 15.416 -6.001 155 H HIS 19 HN HIS 19 31.613 14.933 -5.381 156 HA HIS 19 HA HIS 19 29.133 16.166 -5.815 157 HB2 HIS 19 HB2 HIS 19 29.425 13.305 -4.836 158 HB3 HIS 19 HB1 HIS 19 28.205 13.973 -5.948 159 HD1 HIS 19 HD1 HIS 19 31.924 13.140 -5.744 160 HD2 HIS 19 HD2 HIS 19 28.991 14.004 -8.629 161 HE1 HIS 19 HE1 HIS 19 32.986 12.781 -8.040 162 H LEU 20 HN LEU 20 29.854 14.017 -3.018 163 HA LEU 20 HA LEU 20 27.539 14.967 -1.561 164 HB2 LEU 20 HB2 LEU 20 28.356 12.742 -1.128 165 HB3 LEU 20 HB1 LEU 20 29.987 13.343 -0.767 166 HG LEU 20 HG LEU 20 29.234 14.393 1.284 167 HD11 LEU 20 HD11 LEU 20 26.746 14.067 1.947 168 HD12 LEU 20 HD12 LEU 20 26.458 13.732 0.222 169 HD13 LEU 20 HD13 LEU 20 27.102 15.312 0.727 170 HD21 LEU 20 HD21 LEU 20 27.965 11.635 0.970 171 HD22 LEU 20 HD22 LEU 20 28.364 12.419 2.517 172 HD23 LEU 20 HD23 LEU 20 29.663 11.961 1.389 Start of MODEL 28 1 H1 TRP 1 HT1 TRP 1 39.190 17.202 10.110 2 H2 TRP 1 HT2 TRP 1 39.636 16.786 8.524 3 H3 TRP 1 HT3 TRP 1 40.728 16.555 9.806 4 HA TRP 1 HA TRP 1 39.985 14.554 10.152 5 HB2 TRP 1 HB2 TRP 1 37.290 15.951 10.365 6 HB3 TRP 1 HB1 TRP 1 37.559 14.236 10.759 7 HD1 TRP 1 HD1 TRP 1 39.562 13.813 12.667 8 HE1 TRP 1 HE1 TRP 1 40.044 15.144 14.848 9 HE3 TRP 1 HE3 TRP 1 37.150 18.174 11.499 10 HZ2 TRP 1 HZ2 TRP 1 39.447 17.753 15.910 11 HZ3 TRP 1 HZ3 TRP 1 37.119 20.071 13.111 12 HH2 TRP 1 HH2 TRP 1 38.265 19.865 15.314 13 H LEU 2 HN LEU 2 38.726 12.727 9.247 14 HA LEU 2 HA LEU 2 38.706 12.913 6.346 15 HB2 LEU 2 HB2 LEU 2 37.542 10.685 8.051 16 HB3 LEU 2 HB1 LEU 2 38.162 10.578 6.387 17 HG LEU 2 HG LEU 2 39.823 11.243 8.862 18 HD11 LEU 2 HD11 LEU 2 40.795 9.016 8.539 19 HD12 LEU 2 HD12 LEU 2 39.775 8.749 7.105 20 HD13 LEU 2 HD13 LEU 2 39.030 8.872 8.718 21 HD21 LEU 2 HD21 LEU 2 41.716 10.772 7.129 22 HD22 LEU 2 HD22 LEU 2 40.876 12.335 7.022 23 HD23 LEU 2 HD23 LEU 2 40.462 11.025 5.891 24 H ARG 3 HN ARG 3 36.531 13.891 8.678 25 HA ARG 3 HA ARG 3 34.339 14.603 8.569 26 HB2 ARG 3 HB2 ARG 3 34.420 14.117 5.573 27 HB3 ARG 3 HB1 ARG 3 33.408 15.264 6.478 28 HG2 ARG 3 HG2 ARG 3 35.560 16.397 7.245 29 HG3 ARG 3 HG1 ARG 3 36.422 15.379 6.067 30 HD2 ARG 3 HD2 ARG 3 35.917 17.529 5.026 31 HD3 ARG 3 HD1 ARG 3 34.912 16.271 4.266 32 HE ARG 3 HE ARG 3 33.539 17.539 6.491 33 HH11 ARG 3 HH11 ARG 3 31.531 18.364 5.731 34 HH12 ARG 3 HH12 ARG 3 31.505 19.181 4.204 35 HH21 ARG 3 HH21 ARG 3 34.785 18.377 3.417 36 HH22 ARG 3 HH22 ARG 3 33.347 19.189 2.895 37 H ARG 4 HN ARG 4 34.315 12.263 5.840 38 HA ARG 4 HA ARG 4 31.882 11.037 6.841 39 HB2 ARG 4 HB2 ARG 4 33.840 10.020 4.744 40 HB3 ARG 4 HB1 ARG 4 32.160 9.483 4.975 41 HG2 ARG 4 HG2 ARG 4 31.329 11.728 4.443 42 HG3 ARG 4 HG1 ARG 4 32.996 12.340 4.310 43 HD2 ARG 4 HD2 ARG 4 31.974 11.820 2.080 44 HD3 ARG 4 HD1 ARG 4 33.433 10.856 2.411 45 HE ARG 4 HE ARG 4 31.237 9.327 3.319 46 HH11 ARG 4 HH11 ARG 4 29.424 9.189 1.545 47 HH12 ARG 4 HH12 ARG 4 30.051 8.645 0.024 48 HH21 ARG 4 HH21 ARG 4 33.355 9.278 0.859 49 HH22 ARG 4 HH22 ARG 4 32.276 8.697 -0.363 50 H ILE 5 HN ILE 5 34.856 10.931 8.157 51 HA ILE 5 HA ILE 5 36.053 9.362 9.396 52 HB ILE 5 HB ILE 5 33.330 8.138 10.006 53 HG12 ILE 5 HG12 ILE 5 34.603 10.665 11.158 54 HG13 ILE 5 HG11 ILE 5 33.152 10.601 10.133 55 HG21 ILE 5 HG21 ILE 5 34.318 7.557 12.110 56 HG22 ILE 5 HG22 ILE 5 35.715 8.625 11.838 57 HG23 ILE 5 HG23 ILE 5 35.536 7.133 10.887 58 HD11 ILE 5 HD1 ILE 5 33.502 9.596 12.975 59 HD12 ILE 5 HD2 ILE 5 32.179 9.001 11.941 60 HD13 ILE 5 HD3 ILE 5 32.291 10.731 12.340 61 H GLY 6 HN GLY 6 36.943 8.421 7.398 62 HA2 GLY 6 HA1 GLY 6 37.032 5.645 7.438 63 HA3 GLY 6 HA2 GLY 6 35.712 6.017 6.311 64 H LYS 7 HN LYS 7 36.813 8.457 5.273 65 HA LYS 7 HA LYS 7 39.482 7.951 4.259 66 HB2 LYS 7 HB2 LYS 7 38.212 6.209 2.999 67 HB3 LYS 7 HB1 LYS 7 37.180 7.491 2.320 68 HG2 LYS 7 HG2 LYS 7 39.057 8.523 1.204 69 HG3 LYS 7 HG1 LYS 7 40.215 7.470 2.054 70 HD2 LYS 7 HD2 LYS 7 39.197 5.485 0.941 71 HD3 LYS 7 HD1 LYS 7 38.097 6.567 0.052 72 HE2 LYS 7 HE2 LYS 7 41.142 6.519 -0.111 73 HE3 LYS 7 HE1 LYS 7 39.994 6.042 -1.386 74 HZ1 LYS 7 HZ1 LYS 7 40.173 8.151 -2.052 75 HZ2 LYS 7 HZ2 LYS 7 40.884 8.667 -0.598 76 HZ3 LYS 7 HZ3 LYS 7 39.193 8.549 -0.726 77 H GLY 8 HN GLY 8 40.282 9.658 3.006 78 HA2 GLY 8 HA1 GLY 8 38.714 11.726 1.865 79 HA3 GLY 8 HA2 GLY 8 39.089 12.201 3.532 80 H VAL 9 HN VAL 9 39.985 13.821 1.621 81 HA VAL 9 HA VAL 9 42.932 13.433 1.811 82 HB VAL 9 HB VAL 9 42.957 14.281 -0.734 83 HG11 VAL 9 HG11 VAL 9 42.387 11.396 0.082 84 HG12 VAL 9 HG12 VAL 9 43.983 12.181 0.008 85 HG13 VAL 9 HG13 VAL 9 43.059 11.899 -1.487 86 HG21 VAL 9 HG21 VAL 9 40.420 12.588 -0.730 87 HG22 VAL 9 HG22 VAL 9 41.113 13.538 -2.067 88 HG23 VAL 9 HG23 VAL 9 40.366 14.365 -0.681 89 H LYS 10 HN LYS 10 41.594 15.645 -0.517 90 HA LYS 10 HA LYS 10 41.172 17.852 1.323 91 HB2 LYS 10 HB2 LYS 10 43.716 17.514 1.342 92 HB3 LYS 10 HB1 LYS 10 43.699 18.032 -0.360 93 HG2 LYS 10 HG2 LYS 10 42.515 20.141 0.362 94 HG3 LYS 10 HG1 LYS 10 42.737 19.630 2.054 95 HD2 LYS 10 HD2 LYS 10 45.210 19.505 1.638 96 HD3 LYS 10 HD1 LYS 10 44.931 20.161 0.006 97 HE2 LYS 10 HE2 LYS 10 45.541 21.994 1.509 98 HE3 LYS 10 HE1 LYS 10 43.832 22.164 1.047 99 HZ1 LYS 10 HZ1 LYS 10 44.156 20.526 3.366 100 HZ2 LYS 10 HZ2 LYS 10 43.201 21.914 3.148 101 HZ3 LYS 10 HZ3 LYS 10 44.833 22.063 3.600 102 H ILE 11 HN ILE 11 41.501 16.428 -1.813 103 HA ILE 11 HA ILE 11 40.285 18.860 -3.126 104 HB ILE 11 HB ILE 11 41.565 16.467 -4.488 105 HG12 ILE 11 HG12 ILE 11 42.834 19.089 -3.571 106 HG13 ILE 11 HG11 ILE 11 43.247 17.454 -3.005 107 HG21 ILE 11 HG21 ILE 11 41.645 17.898 -6.419 108 HG22 ILE 11 HG22 ILE 11 41.263 19.344 -5.454 109 HG23 ILE 11 HG23 ILE 11 40.016 18.108 -5.740 110 HD11 ILE 11 HD1 ILE 11 43.758 18.701 -5.727 111 HD12 ILE 11 HD2 ILE 11 43.760 16.933 -5.507 112 HD13 ILE 11 HD3 ILE 11 44.922 17.945 -4.616 113 H ILE 12 HN ILE 12 40.170 15.269 -3.071 114 HA ILE 12 HA ILE 12 37.480 15.354 -4.365 115 HB ILE 12 HB ILE 12 39.247 13.007 -3.581 116 HG12 ILE 12 HG12 ILE 12 40.442 14.362 -5.196 117 HG13 ILE 12 HG11 ILE 12 39.831 12.921 -6.035 118 HG21 ILE 12 HG21 ILE 12 36.600 13.258 -5.036 119 HG22 ILE 12 HG22 ILE 12 37.152 12.018 -3.892 120 HG23 ILE 12 HG23 ILE 12 37.730 11.991 -5.570 121 HD11 ILE 12 HD1 ILE 12 37.779 14.437 -6.651 122 HD12 ILE 12 HD2 ILE 12 39.304 14.678 -7.525 123 HD13 ILE 12 HD3 ILE 12 38.849 15.787 -6.214 124 H GLY 13 HN GLY 13 38.229 12.645 -2.295 125 HA2 GLY 13 HA1 GLY 13 35.865 12.796 -0.777 126 HA3 GLY 13 HA2 GLY 13 37.362 12.002 -0.243 127 H GLY 14 HN GLY 14 38.526 14.785 -0.890 128 HA2 GLY 14 HA1 GLY 14 38.405 15.798 1.878 129 HA3 GLY 14 HA2 GLY 14 39.404 16.411 0.547 130 H ALA 15 HN ALA 15 37.603 16.948 -1.473 131 HA ALA 15 HA ALA 15 36.218 19.308 -0.279 132 HB1 ALA 15 HB1 ALA 15 36.131 18.364 -3.163 133 HB2 ALA 15 HB2 ALA 15 37.461 19.349 -2.501 134 HB3 ALA 15 HB3 ALA 15 35.803 19.990 -2.526 135 H ALA 16 HN ALA 16 35.508 16.446 0.268 136 HA ALA 16 HA ALA 16 33.490 15.475 0.881 137 HB1 ALA 16 HB1 ALA 16 31.434 16.546 0.639 138 HB2 ALA 16 HB2 ALA 16 31.859 17.256 -0.935 139 HB3 ALA 16 HB3 ALA 16 32.549 17.928 0.560 140 H LEU 17 HN LEU 17 35.239 14.611 -1.195 141 HA LEU 17 HA LEU 17 35.218 13.149 -3.015 142 HB2 LEU 17 HB2 LEU 17 33.586 12.059 -1.245 143 HB3 LEU 17 HB1 LEU 17 32.315 12.515 -2.401 144 HG LEU 17 HG LEU 17 33.942 11.328 -4.175 145 HD11 LEU 17 HD11 LEU 17 34.616 9.749 -1.656 146 HD12 LEU 17 HD12 LEU 17 35.709 10.978 -2.328 147 HD13 LEU 17 HD13 LEU 17 35.283 9.546 -3.292 148 HD21 LEU 17 HD21 LEU 17 31.633 10.588 -3.573 149 HD22 LEU 17 HD22 LEU 17 32.293 9.720 -2.167 150 HD23 LEU 17 HD23 LEU 17 32.732 9.210 -3.814 151 H ASP 18 HN ASP 18 33.983 15.989 -3.186 152 HA ASP 18 HA ASP 18 32.950 17.278 -4.819 153 HB2 ASP 18 HB2 ASP 18 34.021 14.975 -6.491 154 HB3 ASP 18 HB1 ASP 18 33.269 16.423 -7.202 155 H HIS 19 HN HIS 19 31.477 14.978 -3.438 156 HA HIS 19 HA HIS 19 29.344 14.079 -3.502 157 HB2 HIS 19 HB2 HIS 19 28.747 16.149 -5.647 158 HB3 HIS 19 HB1 HIS 19 27.607 15.393 -4.509 159 HD1 HIS 19 HD1 HIS 19 28.306 18.556 -4.781 160 HD2 HIS 19 HD2 HIS 19 29.611 15.895 -1.797 161 HE1 HIS 19 HE1 HIS 19 28.955 19.954 -2.743 162 H LEU 20 HN LEU 20 30.787 12.341 -4.650 163 HA LEU 20 HA LEU 20 29.152 11.317 -6.834 164 HB2 LEU 20 HB2 LEU 20 30.438 12.821 -8.211 165 HB3 LEU 20 HB1 LEU 20 31.956 12.344 -7.422 166 HG LEU 20 HG LEU 20 31.868 10.132 -8.412 167 HD11 LEU 20 HD11 LEU 20 29.052 10.958 -9.221 168 HD12 LEU 20 HD12 LEU 20 29.564 9.522 -8.302 169 HD13 LEU 20 HD13 LEU 20 29.911 9.631 -10.042 170 HD21 LEU 20 HD21 LEU 20 31.884 10.706 -10.827 171 HD22 LEU 20 HD22 LEU 20 32.710 11.951 -9.860 172 HD23 LEU 20 HD23 LEU 20 31.060 12.241 -10.464 Start of MODEL 29 1 H1 TRP 1 HT1 TRP 1 29.549 14.755 12.936 2 H2 TRP 1 HT2 TRP 1 28.626 15.320 11.626 3 H3 TRP 1 HT3 TRP 1 28.355 15.931 13.188 4 HA TRP 1 HA TRP 1 30.460 16.522 11.277 5 HB2 TRP 1 HB2 TRP 1 30.160 18.787 12.381 6 HB3 TRP 1 HB1 TRP 1 28.716 18.153 11.555 7 HD1 TRP 1 HD1 TRP 1 30.078 19.044 14.974 8 HE1 TRP 1 HE1 TRP 1 28.203 18.846 16.765 9 HE3 TRP 1 HE3 TRP 1 26.472 16.791 12.123 10 HZ2 TRP 1 HZ2 TRP 1 25.511 17.839 16.908 11 HZ3 TRP 1 HZ3 TRP 1 24.257 16.221 13.108 12 HH2 TRP 1 HH2 TRP 1 23.774 16.743 15.495 13 H LEU 2 HN LEU 2 32.439 15.834 11.826 14 HA LEU 2 HA LEU 2 33.224 15.556 14.640 15 HB2 LEU 2 HB2 LEU 2 35.052 15.452 12.219 16 HB3 LEU 2 HB1 LEU 2 35.259 14.656 13.797 17 HG LEU 2 HG LEU 2 33.119 14.032 11.713 18 HD11 LEU 2 HD11 LEU 2 35.369 13.173 11.164 19 HD12 LEU 2 HD12 LEU 2 34.285 11.837 11.621 20 HD13 LEU 2 HD13 LEU 2 35.495 12.440 12.780 21 HD21 LEU 2 HD21 LEU 2 32.070 13.675 13.828 22 HD22 LEU 2 HD22 LEU 2 33.568 13.055 14.564 23 HD23 LEU 2 HD23 LEU 2 32.689 12.074 13.368 24 H ARG 3 HN ARG 3 34.885 17.261 11.978 25 HA ARG 3 HA ARG 3 34.987 19.759 13.554 26 HB2 ARG 3 HB2 ARG 3 37.005 17.961 14.045 27 HB3 ARG 3 HB1 ARG 3 37.701 18.806 12.650 28 HG2 ARG 3 HG2 ARG 3 36.673 20.123 15.212 29 HG3 ARG 3 HG1 ARG 3 38.381 19.874 14.784 30 HD2 ARG 3 HD2 ARG 3 36.352 21.692 13.439 31 HD3 ARG 3 HD1 ARG 3 37.905 22.135 14.181 32 HE ARG 3 HE ARG 3 37.531 21.024 11.483 33 HH11 ARG 3 HH11 ARG 3 39.612 19.327 12.822 34 HH12 ARG 3 HH12 ARG 3 41.068 20.197 12.467 35 HH21 ARG 3 HH21 ARG 3 39.423 23.120 11.587 36 HH22 ARG 3 HH22 ARG 3 40.961 22.343 11.766 37 H ARG 4 HN ARG 4 35.367 17.804 10.738 38 HA ARG 4 HA ARG 4 35.399 20.275 9.016 39 HB2 ARG 4 HB2 ARG 4 36.937 17.674 8.632 40 HB3 ARG 4 HB1 ARG 4 36.711 18.894 7.356 41 HG2 ARG 4 HG2 ARG 4 37.797 20.601 8.781 42 HG3 ARG 4 HG1 ARG 4 38.015 19.390 10.069 43 HD2 ARG 4 HD2 ARG 4 40.101 19.534 8.841 44 HD3 ARG 4 HD1 ARG 4 39.326 17.989 8.411 45 HE ARG 4 HE ARG 4 39.106 18.796 6.203 46 HH11 ARG 4 HH11 ARG 4 38.997 20.431 4.635 47 HH12 ARG 4 HH12 ARG 4 39.430 22.050 5.070 48 HH21 ARG 4 HH21 ARG 4 39.949 21.299 8.414 49 HH22 ARG 4 HH22 ARG 4 39.968 22.542 7.208 50 H ILE 5 HN ILE 5 33.733 17.625 10.114 51 HA ILE 5 HA ILE 5 31.863 16.509 9.321 52 HB ILE 5 HB ILE 5 31.720 18.566 7.076 53 HG12 ILE 5 HG12 ILE 5 30.814 18.806 9.983 54 HG13 ILE 5 HG11 ILE 5 32.085 19.767 9.193 55 HG21 ILE 5 HG21 ILE 5 29.484 17.238 8.660 56 HG22 ILE 5 HG22 ILE 5 30.167 16.511 7.187 57 HG23 ILE 5 HG23 ILE 5 29.372 18.100 7.107 58 HD11 ILE 5 HD1 ILE 5 29.089 19.822 8.700 59 HD12 ILE 5 HD2 ILE 5 30.236 20.452 7.490 60 HD13 ILE 5 HD3 ILE 5 30.171 21.171 9.117 61 H GLY 6 HN GLY 6 32.874 14.612 8.702 62 HA2 GLY 6 HA1 GLY 6 33.520 12.967 7.213 63 HA3 GLY 6 HA2 GLY 6 32.626 13.868 5.974 64 H LYS 7 HN LYS 7 35.703 14.006 7.819 65 HA LYS 7 HA LYS 7 37.050 15.611 5.838 66 HB2 LYS 7 HB2 LYS 7 39.133 14.771 7.040 67 HB3 LYS 7 HB1 LYS 7 37.921 15.568 8.071 68 HG2 LYS 7 HG2 LYS 7 37.097 13.465 8.895 69 HG3 LYS 7 HG1 LYS 7 38.001 12.552 7.663 70 HD2 LYS 7 HD2 LYS 7 39.108 12.462 9.898 71 HD3 LYS 7 HD1 LYS 7 40.135 13.233 8.668 72 HE2 LYS 7 HE2 LYS 7 39.937 14.395 10.993 73 HE3 LYS 7 HE1 LYS 7 39.757 15.407 9.541 74 HZ1 LYS 7 HZ1 LYS 7 37.559 14.259 11.192 75 HZ2 LYS 7 HZ2 LYS 7 37.332 15.118 9.745 76 HZ3 LYS 7 HZ3 LYS 7 38.008 15.892 11.099 77 H GLY 8 HN GLY 8 39.191 14.727 4.837 78 HA2 GLY 8 HA1 GLY 8 39.259 11.960 4.048 79 HA3 GLY 8 HA2 GLY 8 38.503 12.940 2.776 80 H VAL 9 HN VAL 9 40.087 12.722 1.253 81 HA VAL 9 HA VAL 9 42.884 12.974 1.780 82 HB VAL 9 HB VAL 9 41.359 13.557 -0.800 83 HG11 VAL 9 HG11 VAL 9 43.618 12.945 -1.814 84 HG12 VAL 9 HG12 VAL 9 44.304 13.072 -0.177 85 HG13 VAL 9 HG13 VAL 9 43.582 14.501 -0.954 86 HG21 VAL 9 HG21 VAL 9 42.028 11.220 -1.363 87 HG22 VAL 9 HG22 VAL 9 40.962 11.283 0.062 88 HG23 VAL 9 HG23 VAL 9 42.712 11.040 0.270 89 H LYS 10 HN LYS 10 41.442 15.296 -0.472 90 HA LYS 10 HA LYS 10 41.727 17.605 1.233 91 HB2 LYS 10 HB2 LYS 10 44.134 17.071 1.023 92 HB3 LYS 10 HB1 LYS 10 43.986 17.106 -0.750 93 HG2 LYS 10 HG2 LYS 10 43.410 19.459 -0.730 94 HG3 LYS 10 HG1 LYS 10 43.275 19.463 1.046 95 HD2 LYS 10 HD2 LYS 10 45.684 18.916 1.232 96 HD3 LYS 10 HD1 LYS 10 45.819 18.911 -0.543 97 HE2 LYS 10 HE2 LYS 10 46.562 21.081 0.206 98 HE3 LYS 10 HE1 LYS 10 44.949 21.308 -0.510 99 HZ1 LYS 10 HZ1 LYS 10 45.417 20.883 2.397 100 HZ2 LYS 10 HZ2 LYS 10 43.971 21.354 1.639 101 HZ3 LYS 10 HZ3 LYS 10 45.296 22.417 1.683 102 H ILE 11 HN ILE 11 41.472 16.074 -1.903 103 HA ILE 11 HA ILE 11 40.290 18.600 -3.061 104 HB ILE 11 HB ILE 11 41.214 16.149 -4.604 105 HG12 ILE 11 HG12 ILE 11 42.796 18.641 -3.820 106 HG13 ILE 11 HG11 ILE 11 43.138 16.968 -3.318 107 HG21 ILE 11 HG21 ILE 11 41.162 17.613 -6.502 108 HG22 ILE 11 HG22 ILE 11 41.029 19.063 -5.477 109 HG23 ILE 11 HG23 ILE 11 39.656 17.939 -5.614 110 HD11 ILE 11 HD1 ILE 11 43.407 18.208 -6.078 111 HD12 ILE 11 HD2 ILE 11 43.297 16.443 -5.864 112 HD13 ILE 11 HD3 ILE 11 44.636 17.349 -5.122 113 H ILE 12 HN ILE 12 39.950 15.017 -3.084 114 HA ILE 12 HA ILE 12 37.152 15.291 -4.040 115 HB ILE 12 HB ILE 12 38.781 12.830 -3.305 116 HG12 ILE 12 HG12 ILE 12 39.927 13.989 -5.092 117 HG13 ILE 12 HG11 ILE 12 39.100 12.590 -5.804 118 HG21 ILE 12 HG21 ILE 12 36.997 11.865 -5.085 119 HG22 ILE 12 HG22 ILE 12 36.036 13.252 -4.520 120 HG23 ILE 12 HG23 ILE 12 36.588 12.023 -3.364 121 HD11 ILE 12 HD1 ILE 12 38.591 14.333 -7.313 122 HD12 ILE 12 HD2 ILE 12 38.395 15.533 -6.017 123 HD13 ILE 12 HD3 ILE 12 37.149 14.291 -6.277 124 H GLY 13 HN GLY 13 37.878 12.624 -1.900 125 HA2 GLY 13 HA1 GLY 13 35.678 13.051 -0.193 126 HA3 GLY 13 HA2 GLY 13 37.146 12.152 0.252 127 H GLY 14 HN GLY 14 38.459 14.786 -0.659 128 HA2 GLY 14 HA1 GLY 14 38.740 15.939 2.029 129 HA3 GLY 14 HA2 GLY 14 39.596 16.428 0.549 130 H ALA 15 HN ALA 15 37.601 17.012 -1.254 131 HA ALA 15 HA ALA 15 36.469 19.471 0.030 132 HB1 ALA 15 HB1 ALA 15 36.073 18.520 -2.826 133 HB2 ALA 15 HB2 ALA 15 37.505 19.443 -2.298 134 HB3 ALA 15 HB3 ALA 15 35.883 20.163 -2.174 135 H ALA 16 HN ALA 16 35.673 16.754 0.803 136 HA ALA 16 HA ALA 16 33.696 15.819 1.544 137 HB1 ALA 16 HB1 ALA 16 32.008 17.740 -0.070 138 HB2 ALA 16 HB2 ALA 16 32.867 18.314 1.377 139 HB3 ALA 16 HB3 ALA 16 31.679 16.998 1.513 140 H LEU 17 HN LEU 17 35.153 14.849 -0.665 141 HA LEU 17 HA LEU 17 34.858 13.322 -2.396 142 HB2 LEU 17 HB2 LEU 17 33.065 12.527 -0.639 143 HB3 LEU 17 HB1 LEU 17 31.889 13.196 -1.787 144 HG LEU 17 HG LEU 17 33.298 11.753 -3.571 145 HD11 LEU 17 HD11 LEU 17 33.732 10.229 -0.960 146 HD12 LEU 17 HD12 LEU 17 35.010 11.034 -1.898 147 HD13 LEU 17 HD13 LEU 17 34.134 9.652 -2.593 148 HD21 LEU 17 HD21 LEU 17 31.344 10.506 -1.582 149 HD22 LEU 17 HD22 LEU 17 31.736 9.861 -3.193 150 HD23 LEU 17 HD23 LEU 17 30.900 11.425 -3.040 151 H ASP 18 HN ASP 18 33.893 16.357 -2.482 152 HA ASP 18 HA ASP 18 33.170 17.792 -4.151 153 HB2 ASP 18 HB2 ASP 18 34.951 16.516 -5.409 154 HB3 ASP 18 HB1 ASP 18 33.660 15.465 -6.042 155 H HIS 19 HN HIS 19 31.447 15.238 -3.136 156 HA HIS 19 HA HIS 19 28.994 16.207 -4.447 157 HB2 HIS 19 HB2 HIS 19 29.839 13.301 -4.802 158 HB3 HIS 19 HB1 HIS 19 28.332 14.053 -5.378 159 HD1 HIS 19 HD1 HIS 19 31.972 13.650 -6.167 160 HD2 HIS 19 HD2 HIS 19 28.729 15.947 -7.548 161 HE1 HIS 19 HE1 HIS 19 32.653 14.654 -8.415 162 H LEU 20 HN LEU 20 30.796 14.638 -2.027 163 HA LEU 20 HA LEU 20 30.219 13.740 0.030 164 HB2 LEU 20 HB2 LEU 20 29.423 15.980 0.468 165 HB3 LEU 20 HB1 LEU 20 27.915 15.678 -0.421 166 HG LEU 20 HG LEU 20 27.143 14.118 1.272 167 HD11 LEU 20 HD11 LEU 20 29.978 14.393 2.344 168 HD12 LEU 20 HD12 LEU 20 29.091 12.908 1.920 169 HD13 LEU 20 HD13 LEU 20 28.643 13.823 3.376 170 HD21 LEU 20 HD21 LEU 20 26.852 16.542 1.737 171 HD22 LEU 20 HD22 LEU 20 28.411 16.558 2.595 172 HD23 LEU 20 HD23 LEU 20 27.050 15.609 3.240 Start of MODEL 30 1 H1 TRP 1 HT1 TRP 1 46.950 5.776 7.541 2 H2 TRP 1 HT2 TRP 1 45.595 5.962 6.532 3 H3 TRP 1 HT3 TRP 1 45.602 6.647 8.087 4 HA TRP 1 HA TRP 1 46.307 8.501 7.218 5 HB2 TRP 1 HB2 TRP 1 48.732 6.836 6.433 6 HB3 TRP 1 HB1 TRP 1 48.680 8.608 6.580 7 HD1 TRP 1 HD1 TRP 1 48.663 5.407 8.656 8 HE1 TRP 1 HE1 TRP 1 49.098 5.976 11.155 9 HE3 TRP 1 HE3 TRP 1 48.418 10.513 8.374 10 HZ2 TRP 1 HZ2 TRP 1 49.304 8.345 12.781 11 HZ3 TRP 1 HZ3 TRP 1 48.738 11.907 10.412 12 HH2 TRP 1 HH2 TRP 1 49.179 10.828 12.613 13 H LEU 2 HN LEU 2 47.258 9.629 5.190 14 HA LEU 2 HA LEU 2 45.549 8.961 2.984 15 HB2 LEU 2 HB2 LEU 2 48.024 10.733 3.152 16 HB3 LEU 2 HB1 LEU 2 46.959 10.636 1.734 17 HG LEU 2 HG LEU 2 45.020 11.198 3.385 18 HD11 LEU 2 HD11 LEU 2 47.462 11.879 5.074 19 HD12 LEU 2 HD12 LEU 2 46.019 10.947 5.535 20 HD13 LEU 2 HD13 LEU 2 45.902 12.702 5.302 21 HD21 LEU 2 HD21 LEU 2 45.889 12.757 1.666 22 HD22 LEU 2 HD22 LEU 2 47.173 13.277 2.784 23 HD23 LEU 2 HD23 LEU 2 45.468 13.628 3.160 24 H ARG 3 HN ARG 3 48.379 7.559 4.086 25 HA ARG 3 HA ARG 3 49.669 5.842 3.232 26 HB2 ARG 3 HB2 ARG 3 47.426 5.202 2.082 27 HB3 ARG 3 HB1 ARG 3 48.124 5.926 0.615 28 HG2 ARG 3 HG2 ARG 3 50.069 4.415 0.768 29 HG3 ARG 3 HG1 ARG 3 49.411 3.700 2.259 30 HD2 ARG 3 HD2 ARG 3 47.861 3.728 -0.362 31 HD3 ARG 3 HD1 ARG 3 48.956 2.400 0.094 32 HE ARG 3 HE ARG 3 47.012 3.029 2.183 33 HH11 ARG 3 HH11 ARG 3 46.072 2.293 -0.824 34 HH12 ARG 3 HH12 ARG 3 45.558 0.669 -0.520 35 HH21 ARG 3 HH21 ARG 3 47.018 0.510 2.620 36 HH22 ARG 3 HH22 ARG 3 46.093 -0.342 1.429 37 H ARG 4 HN ARG 4 48.841 7.800 0.315 38 HA ARG 4 HA ARG 4 51.625 7.803 -0.537 39 HB2 ARG 4 HB2 ARG 4 49.525 7.945 -2.017 40 HB3 ARG 4 HB1 ARG 4 49.417 9.650 -1.522 41 HG2 ARG 4 HG2 ARG 4 51.625 10.116 -2.445 42 HG3 ARG 4 HG1 ARG 4 51.887 8.391 -2.797 43 HD2 ARG 4 HD2 ARG 4 49.888 8.450 -4.320 44 HD3 ARG 4 HD1 ARG 4 49.778 10.205 -4.044 45 HE ARG 4 HE ARG 4 51.484 10.417 -5.648 46 HH11 ARG 4 HH11 ARG 4 51.050 7.251 -5.840 47 HH12 ARG 4 HH12 ARG 4 52.712 6.772 -5.931 48 HH21 ARG 4 HH21 ARG 4 53.933 9.874 -4.975 49 HH22 ARG 4 HH22 ARG 4 54.344 8.257 -5.441 50 H ILE 5 HN ILE 5 49.921 9.499 1.822 51 HA ILE 5 HA ILE 5 50.431 11.378 3.075 52 HB ILE 5 HB ILE 5 53.207 11.310 1.818 53 HG12 ILE 5 HG12 ILE 5 52.065 9.626 4.096 54 HG13 ILE 5 HG11 ILE 5 52.639 9.025 2.522 55 HG21 ILE 5 HG21 ILE 5 52.358 11.992 4.664 56 HG22 ILE 5 HG22 ILE 5 52.426 13.214 3.372 57 HG23 ILE 5 HG23 ILE 5 53.905 12.354 3.860 58 HD11 ILE 5 HD1 ILE 5 54.257 10.217 4.800 59 HD12 ILE 5 HD2 ILE 5 54.905 10.153 3.142 60 HD13 ILE 5 HD3 ILE 5 54.470 8.649 3.988 61 H GLY 6 HN GLY 6 48.924 12.167 1.163 62 HA2 GLY 6 HA1 GLY 6 49.508 14.841 0.662 63 HA3 GLY 6 HA2 GLY 6 50.165 13.974 -0.741 64 H LYS 7 HN LYS 7 48.623 12.345 -1.759 65 HA LYS 7 HA LYS 7 46.030 13.760 -2.174 66 HB2 LYS 7 HB2 LYS 7 47.404 13.100 -4.132 67 HB3 LYS 7 HB1 LYS 7 47.272 11.396 -3.637 68 HG2 LYS 7 HG2 LYS 7 44.905 11.365 -3.999 69 HG3 LYS 7 HG1 LYS 7 44.822 13.138 -4.119 70 HD2 LYS 7 HD2 LYS 7 44.687 12.006 -6.353 71 HD3 LYS 7 HD1 LYS 7 46.080 13.103 -6.216 72 HE2 LYS 7 HE2 LYS 7 46.365 10.150 -5.560 73 HE3 LYS 7 HE1 LYS 7 46.472 10.729 -7.238 74 HZ1 LYS 7 HZ1 LYS 7 48.376 10.958 -5.114 75 HZ2 LYS 7 HZ2 LYS 7 48.032 12.468 -5.814 76 HZ3 LYS 7 HZ3 LYS 7 48.584 11.184 -6.782 77 H GLY 8 HN GLY 8 44.239 13.153 -1.176 78 HA2 GLY 8 HA1 GLY 8 43.587 10.331 -0.834 79 HA3 GLY 8 HA2 GLY 8 43.989 11.132 0.699 80 H VAL 9 HN VAL 9 42.877 13.407 0.889 81 HA VAL 9 HA VAL 9 40.179 13.479 -0.320 82 HB VAL 9 HB VAL 9 39.037 13.578 1.902 83 HG11 VAL 9 HG11 VAL 9 39.249 11.451 0.477 84 HG12 VAL 9 HG12 VAL 9 38.891 11.202 2.202 85 HG13 VAL 9 HG13 VAL 9 40.543 10.949 1.591 86 HG21 VAL 9 HG21 VAL 9 40.310 12.571 3.852 87 HG22 VAL 9 HG22 VAL 9 40.899 14.171 3.338 88 HG23 VAL 9 HG23 VAL 9 41.791 12.702 2.872 89 H LYS 10 HN LYS 10 42.735 15.075 -0.068 90 HA LYS 10 HA LYS 10 42.063 17.377 1.595 91 HB2 LYS 10 HB2 LYS 10 44.400 16.632 0.896 92 HB3 LYS 10 HB1 LYS 10 44.025 17.257 -0.727 93 HG2 LYS 10 HG2 LYS 10 43.534 19.492 0.275 94 HG3 LYS 10 HG1 LYS 10 44.000 18.856 1.871 95 HD2 LYS 10 HD2 LYS 10 46.263 18.430 1.117 96 HD3 LYS 10 HD1 LYS 10 45.828 18.815 -0.564 97 HE2 LYS 10 HE2 LYS 10 47.011 20.696 0.642 98 HE3 LYS 10 HE1 LYS 10 45.408 21.139 0.010 99 HZ1 LYS 10 HZ1 LYS 10 45.637 20.083 2.750 100 HZ2 LYS 10 HZ2 LYS 10 44.492 21.156 2.097 101 HZ3 LYS 10 HZ3 LYS 10 46.062 21.698 2.454 102 H ILE 11 HN ILE 11 41.274 16.256 -1.578 103 HA ILE 11 HA ILE 11 39.862 18.857 -2.154 104 HB ILE 11 HB ILE 11 41.228 17.145 -4.261 105 HG12 ILE 11 HG12 ILE 11 42.258 19.633 -2.824 106 HG13 ILE 11 HG11 ILE 11 42.968 18.004 -2.762 107 HG21 ILE 11 HG21 ILE 11 40.806 19.004 -5.723 108 HG22 ILE 11 HG22 ILE 11 40.391 20.074 -4.363 109 HG23 ILE 11 HG23 ILE 11 39.292 18.753 -4.826 110 HD11 ILE 11 HD1 ILE 11 42.882 19.943 -5.098 111 HD12 ILE 11 HD2 ILE 11 43.160 18.201 -5.352 112 HD13 ILE 11 HD3 ILE 11 44.295 19.151 -4.363 113 H ILE 12 HN ILE 12 40.184 15.360 -2.628 114 HA ILE 12 HA ILE 12 37.677 15.099 -4.095 115 HB ILE 12 HB ILE 12 39.344 13.091 -2.547 116 HG12 ILE 12 HG12 ILE 12 39.268 13.575 -5.563 117 HG13 ILE 12 HG11 ILE 12 40.464 14.337 -4.490 118 HG21 ILE 12 HG21 ILE 12 37.138 12.158 -2.879 119 HG22 ILE 12 HG22 ILE 12 38.162 11.438 -4.136 120 HG23 ILE 12 HG23 ILE 12 37.060 12.771 -4.545 121 HD11 ILE 12 HD1 ILE 12 41.643 12.439 -5.198 122 HD12 ILE 12 HD2 ILE 12 40.187 11.426 -5.279 123 HD13 ILE 12 HD3 ILE 12 40.909 11.823 -3.702 124 H GLY 13 HN GLY 13 38.361 13.186 -1.191 125 HA2 GLY 13 HA1 GLY 13 35.687 13.459 -0.184 126 HA3 GLY 13 HA2 GLY 13 37.102 12.882 0.727 127 H GLY 14 HN GLY 14 38.166 15.531 -0.647 128 HA2 GLY 14 HA1 GLY 14 37.862 17.192 1.786 129 HA3 GLY 14 HA2 GLY 14 38.868 17.539 0.360 130 H ALA 15 HN ALA 15 36.990 17.271 -1.700 131 HA ALA 15 HA ALA 15 35.412 19.773 -1.231 132 HB1 ALA 15 HB1 ALA 15 35.727 18.066 -3.734 133 HB2 ALA 15 HB2 ALA 15 36.703 19.503 -3.341 134 HB3 ALA 15 HB3 ALA 15 34.956 19.665 -3.634 135 H ALA 16 HN ALA 16 34.918 17.218 0.123 136 HA ALA 16 HA ALA 16 33.018 16.134 0.871 137 HB1 ALA 16 HB1 ALA 16 31.862 18.351 0.037 138 HB2 ALA 16 HB2 ALA 16 30.870 16.911 0.360 139 HB3 ALA 16 HB3 ALA 16 31.300 17.338 -1.311 140 H LEU 17 HN LEU 17 34.910 15.063 -0.999 141 HA LEU 17 HA LEU 17 35.086 13.269 -2.473 142 HB2 LEU 17 HB2 LEU 17 33.450 12.461 -0.479 143 HB3 LEU 17 HB1 LEU 17 32.300 12.305 -1.822 144 HG LEU 17 HG LEU 17 35.085 11.038 -1.761 145 HD11 LEU 17 HD11 LEU 17 32.339 9.776 -1.354 146 HD12 LEU 17 HD12 LEU 17 33.521 10.090 -0.060 147 HD13 LEU 17 HD13 LEU 17 33.904 8.928 -1.352 148 HD21 LEU 17 HD21 LEU 17 32.701 10.769 -3.649 149 HD22 LEU 17 HD22 LEU 17 34.129 9.709 -3.678 150 HD23 LEU 17 HD23 LEU 17 34.302 11.441 -4.042 151 H ASP 18 HN ASP 18 34.430 15.571 -3.739 152 HA ASP 18 HA ASP 18 33.413 16.441 -5.640 153 HB2 ASP 18 HB2 ASP 18 33.263 13.521 -6.475 154 HB3 ASP 18 HB1 ASP 18 33.331 14.946 -7.540 155 H HIS 19 HN HIS 19 31.645 15.684 -3.389 156 HA HIS 19 HA HIS 19 29.374 15.479 -2.956 157 HB2 HIS 19 HB2 HIS 19 29.250 16.639 -5.767 158 HB3 HIS 19 HB1 HIS 19 27.855 16.507 -4.669 159 HD1 HIS 19 HD1 HIS 19 30.608 18.727 -5.579 160 HD2 HIS 19 HD2 HIS 19 28.339 17.994 -2.117 161 HE1 HIS 19 HE1 HIS 19 30.974 20.700 -3.997 162 H LEU 20 HN LEU 20 30.229 13.065 -3.308 163 HA LEU 20 HA LEU 20 29.706 10.931 -4.058 164 HB2 LEU 20 HB2 LEU 20 27.047 12.374 -4.293 165 HB3 LEU 20 HB1 LEU 20 27.195 10.648 -4.672 166 HG LEU 20 HG LEU 20 26.458 11.237 -2.287 167 HD11 LEU 20 HD11 LEU 20 27.559 9.374 -1.329 168 HD12 LEU 20 HD12 LEU 20 29.041 9.630 -2.270 169 HD13 LEU 20 HD13 LEU 20 27.576 9.022 -3.068 170 HD21 LEU 20 HD21 LEU 20 28.097 12.006 -0.698 171 HD22 LEU 20 HD22 LEU 20 28.130 13.138 -2.068 172 HD23 LEU 20 HD23 LEU 20 29.407 11.911 -1.897 Start of MODEL 31 1 H1 TRP 1 HT1 TRP 1 36.108 22.787 14.479 2 H2 TRP 1 HT2 TRP 1 36.346 21.569 15.641 3 H3 TRP 1 HT3 TRP 1 34.803 22.243 15.415 4 HA TRP 1 HA TRP 1 34.916 20.088 14.425 5 HB2 TRP 1 HB2 TRP 1 34.931 22.263 12.299 6 HB3 TRP 1 HB1 TRP 1 34.082 20.700 12.240 7 HD1 TRP 1 HD1 TRP 1 32.299 20.362 14.433 8 HE1 TRP 1 HE1 TRP 1 30.567 22.072 15.347 9 HE3 TRP 1 HE3 TRP 1 34.332 24.662 12.537 10 HZ2 TRP 1 HZ2 TRP 1 30.149 24.919 15.248 11 HZ3 TRP 1 HZ3 TRP 1 33.248 26.864 12.960 12 HH2 TRP 1 HH2 TRP 1 31.160 26.996 14.313 13 H LEU 2 HN LEU 2 35.763 18.731 12.721 14 HA LEU 2 HA LEU 2 38.666 18.849 12.638 15 HB2 LEU 2 HB2 LEU 2 36.920 17.088 10.886 16 HB3 LEU 2 HB1 LEU 2 38.546 16.756 11.529 17 HG LEU 2 HG LEU 2 35.959 16.962 13.133 18 HD11 LEU 2 HD11 LEU 2 37.858 14.647 12.544 19 HD12 LEU 2 HD12 LEU 2 36.221 14.855 11.880 20 HD13 LEU 2 HD13 LEU 2 36.445 14.569 13.623 21 HD21 LEU 2 HD21 LEU 2 37.680 17.861 14.537 22 HD22 LEU 2 HD22 LEU 2 38.876 16.673 13.967 23 HD23 LEU 2 HD23 LEU 2 37.535 16.156 15.019 24 H ARG 3 HN ARG 3 36.246 20.390 10.869 25 HA ARG 3 HA ARG 3 36.325 21.745 9.006 26 HB2 ARG 3 HB2 ARG 3 39.310 21.208 8.812 27 HB3 ARG 3 HB1 ARG 3 38.399 22.589 8.170 28 HG2 ARG 3 HG2 ARG 3 37.767 23.211 10.522 29 HG3 ARG 3 HG1 ARG 3 38.827 21.909 11.111 30 HD2 ARG 3 HD2 ARG 3 40.110 23.956 11.171 31 HD3 ARG 3 HD1 ARG 3 40.722 22.985 9.811 32 HE ARG 3 HE ARG 3 38.718 24.652 8.741 33 HH11 ARG 3 HH11 ARG 3 41.967 24.468 8.753 34 HH12 ARG 3 HH12 ARG 3 42.291 26.169 8.738 35 HH21 ARG 3 HH21 ARG 3 39.016 27.067 9.436 36 HH22 ARG 3 HH22 ARG 3 40.620 27.641 9.123 37 H ARG 4 HN ARG 4 37.890 18.586 8.838 38 HA ARG 4 HA ARG 4 37.582 18.479 5.886 39 HB2 ARG 4 HB2 ARG 4 38.628 16.500 7.948 40 HB3 ARG 4 HB1 ARG 4 38.535 16.171 6.199 41 HG2 ARG 4 HG2 ARG 4 40.014 18.056 5.718 42 HG3 ARG 4 HG1 ARG 4 40.029 18.526 7.434 43 HD2 ARG 4 HD2 ARG 4 40.977 15.813 6.423 44 HD3 ARG 4 HD1 ARG 4 42.062 17.199 6.688 45 HE ARG 4 HE ARG 4 40.890 15.522 8.766 46 HH11 ARG 4 HH11 ARG 4 41.194 16.180 10.911 47 HH12 ARG 4 HH12 ARG 4 41.941 17.709 11.232 48 HH21 ARG 4 HH21 ARG 4 42.212 18.580 7.886 49 HH22 ARG 4 HH22 ARG 4 42.517 19.068 9.520 50 H ILE 5 HN ILE 5 35.768 17.823 8.714 51 HA ILE 5 HA ILE 5 33.791 16.662 9.071 52 HB ILE 5 HB ILE 5 33.509 17.281 6.092 53 HG12 ILE 5 HG12 ILE 5 31.948 19.031 6.955 54 HG13 ILE 5 HG11 ILE 5 32.332 18.537 8.619 55 HG21 ILE 5 HG21 ILE 5 31.545 16.058 8.076 56 HG22 ILE 5 HG22 ILE 5 32.019 15.436 6.477 57 HG23 ILE 5 HG23 ILE 5 31.008 16.893 6.599 58 HD11 ILE 5 HD1 ILE 5 34.589 19.300 6.740 59 HD12 ILE 5 HD2 ILE 5 34.514 19.411 8.516 60 HD13 ILE 5 HD3 ILE 5 33.623 20.578 7.514 61 H GLY 6 HN GLY 6 34.437 14.644 9.683 62 HA2 GLY 6 HA1 GLY 6 34.572 12.341 9.502 63 HA3 GLY 6 HA2 GLY 6 33.816 12.474 7.903 64 H LYS 7 HN LYS 7 36.737 14.262 8.561 65 HA LYS 7 HA LYS 7 38.869 14.055 7.681 66 HB2 LYS 7 HB2 LYS 7 38.651 11.877 9.098 67 HB3 LYS 7 HB1 LYS 7 38.439 11.050 7.541 68 HG2 LYS 7 HG2 LYS 7 40.765 10.894 7.781 69 HG3 LYS 7 HG1 LYS 7 40.648 12.416 6.873 70 HD2 LYS 7 HD2 LYS 7 40.750 13.685 9.021 71 HD3 LYS 7 HD1 LYS 7 40.902 12.148 9.904 72 HE2 LYS 7 HE2 LYS 7 43.128 13.111 9.571 73 HE3 LYS 7 HE1 LYS 7 42.970 11.639 8.582 74 HZ1 LYS 7 HZ1 LYS 7 43.935 13.675 7.458 75 HZ2 LYS 7 HZ2 LYS 7 42.372 14.340 7.508 76 HZ3 LYS 7 HZ3 LYS 7 42.660 12.903 6.648 77 H GLY 8 HN GLY 8 40.026 13.789 5.714 78 HA2 GLY 8 HA1 GLY 8 38.787 12.426 3.457 79 HA3 GLY 8 HA2 GLY 8 38.596 14.187 3.376 80 H VAL 9 HN VAL 9 39.890 13.211 1.327 81 HA VAL 9 HA VAL 9 42.726 12.829 1.742 82 HB VAL 9 HB VAL 9 41.287 13.745 -0.789 83 HG11 VAL 9 HG11 VAL 9 43.698 14.080 -0.924 84 HG12 VAL 9 HG12 VAL 9 43.277 12.635 -1.873 85 HG13 VAL 9 HG13 VAL 9 43.999 12.459 -0.256 86 HG21 VAL 9 HG21 VAL 9 41.181 11.375 -1.372 87 HG22 VAL 9 HG22 VAL 9 40.391 11.614 0.205 88 HG23 VAL 9 HG23 VAL 9 42.034 10.933 0.127 89 H LYS 10 HN LYS 10 41.350 15.454 -0.259 90 HA LYS 10 HA LYS 10 42.348 17.596 1.388 91 HB2 LYS 10 HB2 LYS 10 44.538 16.627 0.614 92 HB3 LYS 10 HB1 LYS 10 44.044 16.970 -1.061 93 HG2 LYS 10 HG2 LYS 10 43.856 19.362 -0.556 94 HG3 LYS 10 HG1 LYS 10 44.230 19.055 1.158 95 HD2 LYS 10 HD2 LYS 10 46.466 18.316 0.619 96 HD3 LYS 10 HD1 LYS 10 46.107 18.320 -1.125 97 HE2 LYS 10 HE2 LYS 10 47.409 20.345 -0.308 98 HE3 LYS 10 HE1 LYS 10 45.889 20.728 -1.153 99 HZ1 LYS 10 HZ1 LYS 10 44.907 21.429 0.747 100 HZ2 LYS 10 HZ2 LYS 10 46.512 21.755 1.200 101 HZ3 LYS 10 HZ3 LYS 10 45.744 20.340 1.741 102 H ILE 11 HN ILE 11 41.220 16.274 -1.642 103 HA ILE 11 HA ILE 11 39.905 18.911 -2.258 104 HB ILE 11 HB ILE 11 41.093 17.095 -4.398 105 HG12 ILE 11 HG12 ILE 11 42.276 19.588 -3.087 106 HG13 ILE 11 HG11 ILE 11 42.941 17.940 -3.019 107 HG21 ILE 11 HG21 ILE 11 39.174 18.748 -4.886 108 HG22 ILE 11 HG22 ILE 11 40.639 18.930 -5.876 109 HG23 ILE 11 HG23 ILE 11 40.335 20.046 -4.522 110 HD11 ILE 11 HD1 ILE 11 44.204 18.996 -4.728 111 HD12 ILE 11 HD2 ILE 11 42.776 19.818 -5.400 112 HD13 ILE 11 HD3 ILE 11 42.982 18.063 -5.623 113 H ILE 12 HN ILE 12 40.105 15.406 -2.973 114 HA ILE 12 HA ILE 12 37.369 15.329 -3.996 115 HB ILE 12 HB ILE 12 39.223 13.110 -3.064 116 HG12 ILE 12 HG12 ILE 12 38.689 14.094 -5.909 117 HG13 ILE 12 HG11 ILE 12 40.084 14.610 -4.939 118 HG21 ILE 12 HG21 ILE 12 37.753 11.745 -4.696 119 HG22 ILE 12 HG22 ILE 12 36.633 13.125 -4.673 120 HG23 ILE 12 HG23 ILE 12 36.985 12.235 -3.175 121 HD11 ILE 12 HD1 ILE 12 40.446 11.951 -4.678 122 HD12 ILE 12 HD2 ILE 12 41.045 12.827 -6.102 123 HD13 ILE 12 HD3 ILE 12 39.522 11.920 -6.199 124 H GLY 13 HN GLY 13 38.416 12.956 -1.589 125 HA2 GLY 13 HA1 GLY 13 35.984 13.118 -0.094 126 HA3 GLY 13 HA2 GLY 13 37.517 12.419 0.480 127 H GLY 14 HN GLY 14 38.475 15.176 -0.593 128 HA2 GLY 14 HA1 GLY 14 38.590 16.487 2.035 129 HA3 GLY 14 HA2 GLY 14 39.368 17.025 0.530 130 H ALA 15 HN ALA 15 37.228 17.165 -1.250 131 HA ALA 15 HA ALA 15 35.803 19.542 -0.105 132 HB1 ALA 15 HB1 ALA 15 34.987 19.886 -2.370 133 HB2 ALA 15 HB2 ALA 15 35.616 18.304 -2.882 134 HB3 ALA 15 HB3 ALA 15 36.741 19.612 -2.428 135 H ALA 16 HN ALA 16 35.442 16.827 0.895 136 HA ALA 16 HA ALA 16 33.669 15.599 1.707 137 HB1 ALA 16 HB1 ALA 16 31.491 16.465 1.714 138 HB2 ALA 16 HB2 ALA 16 31.673 17.231 0.118 139 HB3 ALA 16 HB3 ALA 16 32.477 17.935 1.541 140 H LEU 17 HN LEU 17 35.186 14.833 -0.548 141 HA LEU 17 HA LEU 17 35.066 13.249 -2.250 142 HB2 LEU 17 HB2 LEU 17 33.460 12.208 -0.439 143 HB3 LEU 17 HB1 LEU 17 32.166 12.691 -1.558 144 HG LEU 17 HG LEU 17 33.714 11.460 -3.376 145 HD11 LEU 17 HD11 LEU 17 35.561 11.028 -1.717 146 HD12 LEU 17 HD12 LEU 17 34.920 9.541 -2.449 147 HD13 LEU 17 HD13 LEU 17 34.444 9.997 -0.797 148 HD21 LEU 17 HD21 LEU 17 32.512 9.299 -2.825 149 HD22 LEU 17 HD22 LEU 17 31.450 10.726 -2.878 150 HD23 LEU 17 HD23 LEU 17 31.961 10.055 -1.311 151 H ASP 18 HN ASP 18 34.827 15.759 -3.107 152 HA ASP 18 HA ASP 18 34.094 17.029 -4.894 153 HB2 ASP 18 HB2 ASP 18 34.556 14.837 -6.089 154 HB3 ASP 18 HB1 ASP 18 32.819 14.479 -5.953 155 H HIS 19 HN HIS 19 31.381 14.684 -4.884 156 HA HIS 19 HA HIS 19 29.598 16.484 -3.470 157 HB2 HIS 19 HB2 HIS 19 28.100 16.983 -5.396 158 HB3 HIS 19 HB1 HIS 19 29.696 17.753 -5.559 159 HD1 HIS 19 HD1 HIS 19 30.639 14.481 -6.204 160 HD2 HIS 19 HD2 HIS 19 28.223 17.147 -8.382 161 HE1 HIS 19 HE1 HIS 19 30.651 13.706 -8.638 162 H LEU 20 HN LEU 20 30.138 13.945 -2.872 163 HA LEU 20 HA LEU 20 27.541 12.672 -3.197 164 HB2 LEU 20 HB2 LEU 20 28.399 11.971 -5.338 165 HB3 LEU 20 HB1 LEU 20 29.967 11.524 -4.634 166 HG LEU 20 HG LEU 20 28.988 9.650 -3.447 167 HD11 LEU 20 HD11 LEU 20 26.885 10.472 -2.673 168 HD12 LEU 20 HD12 LEU 20 26.464 9.184 -3.823 169 HD13 LEU 20 HD13 LEU 20 26.348 10.890 -4.316 170 HD21 LEU 20 HD21 LEU 20 28.160 8.302 -5.322 171 HD22 LEU 20 HD22 LEU 20 29.478 9.358 -5.883 172 HD23 LEU 20 HD23 LEU 20 27.786 9.774 -6.249 Start of MODEL 32 1 H1 TRP 1 HT1 TRP 1 30.765 6.484 10.090 2 H2 TRP 1 HT2 TRP 1 31.329 5.101 9.280 3 H3 TRP 1 HT3 TRP 1 32.218 6.548 9.219 4 HA TRP 1 HA TRP 1 31.639 5.173 11.746 5 HB2 TRP 1 HB2 TRP 1 32.814 3.643 10.112 6 HB3 TRP 1 HB1 TRP 1 34.133 4.835 10.037 7 HD1 TRP 1 HD1 TRP 1 36.005 4.396 11.678 8 HE1 TRP 1 HE1 TRP 1 36.293 3.201 13.969 9 HE3 TRP 1 HE3 TRP 1 31.143 2.986 12.477 10 HZ2 TRP 1 HZ2 TRP 1 34.621 1.829 15.866 11 HZ3 TRP 1 HZ3 TRP 1 30.517 1.736 14.535 12 HH2 TRP 1 HH2 TRP 1 32.250 1.155 16.228 13 H LEU 2 HN LEU 2 33.575 5.639 13.247 14 HA LEU 2 HA LEU 2 34.640 7.304 14.463 15 HB2 LEU 2 HB2 LEU 2 35.496 7.814 11.614 16 HB3 LEU 2 HB1 LEU 2 35.985 8.977 12.864 17 HG LEU 2 HG LEU 2 36.425 6.008 13.357 18 HD11 LEU 2 HD11 LEU 2 38.243 7.828 11.716 19 HD12 LEU 2 HD12 LEU 2 37.375 6.393 11.116 20 HD13 LEU 2 HD13 LEU 2 38.677 6.210 12.315 21 HD21 LEU 2 HD21 LEU 2 36.843 7.646 15.180 22 HD22 LEU 2 HD22 LEU 2 37.960 8.538 14.119 23 HD23 LEU 2 HD23 LEU 2 38.358 6.884 14.643 24 H ARG 3 HN ARG 3 34.197 9.470 11.744 25 HA ARG 3 HA ARG 3 31.746 10.693 12.633 26 HB2 ARG 3 HB2 ARG 3 33.318 11.383 14.510 27 HB3 ARG 3 HB1 ARG 3 34.258 12.278 13.294 28 HG2 ARG 3 HG2 ARG 3 32.213 13.565 12.684 29 HG3 ARG 3 HG1 ARG 3 31.310 12.701 13.952 30 HD2 ARG 3 HD2 ARG 3 33.700 14.554 14.327 31 HD3 ARG 3 HD1 ARG 3 32.029 14.824 14.878 32 HE ARG 3 HE ARG 3 32.816 12.421 16.081 33 HH11 ARG 3 HH11 ARG 3 32.100 14.280 18.028 34 HH12 ARG 3 HH12 ARG 3 33.582 14.876 18.698 35 HH21 ARG 3 HH21 ARG 3 35.531 13.790 16.044 36 HH22 ARG 3 HH22 ARG 3 35.524 14.598 17.575 37 H ARG 4 HN ARG 4 34.717 10.564 10.889 38 HA ARG 4 HA ARG 4 33.457 11.946 8.580 39 HB2 ARG 4 HB2 ARG 4 36.084 12.822 9.853 40 HB3 ARG 4 HB1 ARG 4 35.543 13.311 8.230 41 HG2 ARG 4 HG2 ARG 4 33.422 14.205 9.301 42 HG3 ARG 4 HG1 ARG 4 34.171 13.897 10.887 43 HD2 ARG 4 HD2 ARG 4 35.268 15.711 8.695 44 HD3 ARG 4 HD1 ARG 4 34.551 16.233 10.238 45 HE ARG 4 HE ARG 4 36.749 14.435 10.730 46 HH11 ARG 4 HH11 ARG 4 38.265 15.560 12.070 47 HH12 ARG 4 HH12 ARG 4 38.729 17.161 11.598 48 HH21 ARG 4 HH21 ARG 4 36.348 17.399 9.088 49 HH22 ARG 4 HH22 ARG 4 37.643 18.202 9.910 50 H ILE 5 HN ILE 5 35.149 9.449 9.974 51 HA ILE 5 HA ILE 5 36.398 7.700 9.106 52 HB ILE 5 HB ILE 5 35.383 8.542 6.359 53 HG12 ILE 5 HG12 ILE 5 33.956 6.956 8.545 54 HG13 ILE 5 HG11 ILE 5 33.489 8.563 7.941 55 HG21 ILE 5 HG21 ILE 5 35.812 5.760 7.524 56 HG22 ILE 5 HG22 ILE 5 37.104 6.650 6.685 57 HG23 ILE 5 HG23 ILE 5 35.615 6.219 5.816 58 HD11 ILE 5 HD1 ILE 5 33.376 5.893 6.498 59 HD12 ILE 5 HD2 ILE 5 33.367 7.430 5.599 60 HD13 ILE 5 HD3 ILE 5 32.070 7.070 6.761 61 H GLY 6 HN GLY 6 38.285 9.069 9.704 62 HA2 GLY 6 HA1 GLY 6 40.436 9.743 9.189 63 HA3 GLY 6 HA2 GLY 6 40.206 9.038 7.576 64 H LYS 7 HN LYS 7 38.523 11.730 9.245 65 HA LYS 7 HA LYS 7 38.073 13.877 8.470 66 HB2 LYS 7 HB2 LYS 7 40.994 13.562 7.678 67 HB3 LYS 7 HB1 LYS 7 40.112 15.108 7.625 68 HG2 LYS 7 HG2 LYS 7 39.768 15.122 9.988 69 HG3 LYS 7 HG1 LYS 7 40.217 13.406 10.147 70 HD2 LYS 7 HD2 LYS 7 42.055 14.869 10.920 71 HD3 LYS 7 HD1 LYS 7 42.542 13.951 9.475 72 HE2 LYS 7 HE2 LYS 7 42.312 15.852 8.053 73 HE3 LYS 7 HE1 LYS 7 41.381 16.757 9.273 74 HZ1 LYS 7 HZ1 LYS 7 43.253 17.506 10.165 75 HZ2 LYS 7 HZ2 LYS 7 44.112 16.824 8.867 76 HZ3 LYS 7 HZ3 LYS 7 43.904 15.946 10.307 77 H GLY 8 HN GLY 8 40.453 13.602 5.928 78 HA2 GLY 8 HA1 GLY 8 38.706 12.684 3.841 79 HA3 GLY 8 HA2 GLY 8 38.714 14.458 3.883 80 H VAL 9 HN VAL 9 39.585 13.298 1.619 81 HA VAL 9 HA VAL 9 42.393 12.668 1.605 82 HB VAL 9 HB VAL 9 40.622 13.748 -0.636 83 HG11 VAL 9 HG11 VAL 9 42.923 14.100 -1.258 84 HG12 VAL 9 HG12 VAL 9 42.412 12.601 -2.068 85 HG13 VAL 9 HG13 VAL 9 43.411 12.524 -0.597 86 HG21 VAL 9 HG21 VAL 9 40.418 11.393 -1.283 87 HG22 VAL 9 HG22 VAL 9 39.894 11.583 0.406 88 HG23 VAL 9 HG23 VAL 9 41.500 10.905 0.044 89 H LYS 10 HN LYS 10 41.169 15.424 -0.276 90 HA LYS 10 HA LYS 10 42.507 17.451 1.285 91 HB2 LYS 10 HB2 LYS 10 44.491 16.187 0.340 92 HB3 LYS 10 HB1 LYS 10 43.935 16.666 -1.281 93 HG2 LYS 10 HG2 LYS 10 44.046 19.062 -0.588 94 HG3 LYS 10 HG1 LYS 10 44.674 18.554 0.999 95 HD2 LYS 10 HD2 LYS 10 46.581 17.414 -0.177 96 HD3 LYS 10 HD1 LYS 10 45.983 18.080 -1.714 97 HE2 LYS 10 HE2 LYS 10 47.688 19.590 -0.933 98 HE3 LYS 10 HE1 LYS 10 46.127 20.393 -0.636 99 HZ1 LYS 10 HZ1 LYS 10 47.328 18.694 1.457 100 HZ2 LYS 10 HZ2 LYS 10 46.261 20.008 1.614 101 HZ3 LYS 10 HZ3 LYS 10 47.896 20.278 1.238 102 H ILE 11 HN ILE 11 41.150 16.271 -1.734 103 HA ILE 11 HA ILE 11 39.988 19.004 -2.222 104 HB ILE 11 HB ILE 11 40.991 17.187 -4.453 105 HG12 ILE 11 HG12 ILE 11 42.364 19.574 -3.129 106 HG13 ILE 11 HG11 ILE 11 42.923 17.885 -3.095 107 HG21 ILE 11 HG21 ILE 11 40.605 19.090 -5.862 108 HG22 ILE 11 HG22 ILE 11 40.411 20.179 -4.467 109 HG23 ILE 11 HG23 ILE 11 39.162 18.964 -4.830 110 HD11 ILE 11 HD1 ILE 11 44.208 18.881 -4.824 111 HD12 ILE 11 HD2 ILE 11 42.819 19.798 -5.451 112 HD13 ILE 11 HD3 ILE 11 42.908 18.037 -5.696 113 H ILE 12 HN ILE 12 39.952 15.529 -3.090 114 HA ILE 12 HA ILE 12 37.157 15.644 -3.956 115 HB ILE 12 HB ILE 12 38.958 13.310 -3.226 116 HG12 ILE 12 HG12 ILE 12 39.954 14.571 -5.047 117 HG13 ILE 12 HG11 ILE 12 39.274 13.074 -5.716 118 HG21 ILE 12 HG21 ILE 12 37.228 12.185 -4.973 119 HG22 ILE 12 HG22 ILE 12 36.162 13.478 -4.376 120 HG23 ILE 12 HG23 ILE 12 36.853 12.301 -3.240 121 HD11 ILE 12 HD1 ILE 12 38.545 14.699 -7.260 122 HD12 ILE 12 HD2 ILE 12 38.267 15.921 -6.000 123 HD13 ILE 12 HD3 ILE 12 37.140 14.560 -6.183 124 H GLY 13 HN GLY 13 38.173 13.073 -1.761 125 HA2 GLY 13 HA1 GLY 13 35.873 13.255 -0.103 126 HA3 GLY 13 HA2 GLY 13 37.417 12.498 0.351 127 H GLY 14 HN GLY 14 38.429 15.265 -0.612 128 HA2 GLY 14 HA1 GLY 14 38.660 16.438 2.077 129 HA3 GLY 14 HA2 GLY 14 39.411 17.028 0.578 130 H ALA 15 HN ALA 15 37.257 17.357 -1.131 131 HA ALA 15 HA ALA 15 35.916 19.691 0.190 132 HB1 ALA 15 HB1 ALA 15 35.153 20.272 -2.026 133 HB2 ALA 15 HB2 ALA 15 35.655 18.694 -2.674 134 HB3 ALA 15 HB3 ALA 15 36.881 19.872 -2.133 135 H ALA 16 HN ALA 16 35.459 16.909 0.956 136 HA ALA 16 HA ALA 16 33.622 15.728 1.712 137 HB1 ALA 16 HB1 ALA 16 31.479 16.662 1.735 138 HB2 ALA 16 HB2 ALA 16 31.691 17.467 0.164 139 HB3 ALA 16 HB3 ALA 16 32.504 18.109 1.610 140 H LEU 17 HN LEU 17 35.138 14.966 -0.534 141 HA LEU 17 HA LEU 17 34.985 13.428 -2.277 142 HB2 LEU 17 HB2 LEU 17 33.274 12.441 -0.526 143 HB3 LEU 17 HB1 LEU 17 32.044 12.999 -1.679 144 HG LEU 17 HG LEU 17 33.594 11.722 -3.463 145 HD11 LEU 17 HD11 LEU 17 35.368 11.179 -1.772 146 HD12 LEU 17 HD12 LEU 17 34.664 9.726 -2.514 147 HD13 LEU 17 HD13 LEU 17 34.177 10.212 -0.874 148 HD21 LEU 17 HD21 LEU 17 31.785 10.260 -1.483 149 HD22 LEU 17 HD22 LEU 17 32.241 9.674 -3.101 150 HD23 LEU 17 HD23 LEU 17 31.244 11.138 -2.934 151 H ASP 18 HN ASP 18 34.346 16.281 -2.641 152 HA ASP 18 HA ASP 18 33.571 17.682 -4.313 153 HB2 ASP 18 HB2 ASP 18 34.927 16.186 -5.731 154 HB3 ASP 18 HB1 ASP 18 33.527 15.109 -5.939 155 H HIS 19 HN HIS 19 31.795 14.804 -5.455 156 HA HIS 19 HA HIS 19 29.369 16.109 -5.940 157 HB2 HIS 19 HB2 HIS 19 29.838 13.250 -5.003 158 HB3 HIS 19 HB1 HIS 19 28.311 13.855 -5.690 159 HD1 HIS 19 HD1 HIS 19 32.009 13.436 -6.605 160 HD2 HIS 19 HD2 HIS 19 28.290 14.021 -8.479 161 HE1 HIS 19 HE1 HIS 19 32.371 13.162 -9.120 162 H LEU 20 HN LEU 20 29.951 14.010 -3.074 163 HA LEU 20 HA LEU 20 27.677 15.154 -1.678 164 HB2 LEU 20 HB2 LEU 20 28.862 12.795 -1.454 165 HB3 LEU 20 HB1 LEU 20 29.910 13.636 -0.301 166 HG LEU 20 HG LEU 20 28.147 12.650 0.982 167 HD11 LEU 20 HD11 LEU 20 27.163 14.546 2.077 168 HD12 LEU 20 HD12 LEU 20 27.290 15.550 0.616 169 HD13 LEU 20 HD13 LEU 20 28.760 15.056 1.488 170 HD21 LEU 20 HD21 LEU 20 26.585 12.492 -1.142 171 HD22 LEU 20 HD22 LEU 20 25.961 14.064 -0.594 172 HD23 LEU 20 HD23 LEU 20 25.850 12.646 0.467 Start of MODEL 33 1 H1 TRP 1 HT1 TRP 1 47.682 11.185 14.334 2 H2 TRP 1 HT2 TRP 1 47.493 9.758 13.432 3 H3 TRP 1 HT3 TRP 1 46.131 10.563 14.051 4 HA TRP 1 HA TRP 1 47.760 12.243 12.442 5 HB2 TRP 1 HB2 TRP 1 46.822 11.035 10.302 6 HB3 TRP 1 HB1 TRP 1 48.296 10.406 11.072 7 HD1 TRP 1 HD1 TRP 1 44.459 9.804 11.349 8 HE1 TRP 1 HE1 TRP 1 44.041 7.274 11.755 9 HE3 TRP 1 HE3 TRP 1 49.321 8.207 11.557 10 HZ2 TRP 1 HZ2 TRP 1 45.625 4.898 12.119 11 HZ3 TRP 1 HZ3 TRP 1 49.841 5.801 11.934 12 HH2 TRP 1 HH2 TRP 1 48.000 4.147 12.214 13 H LEU 2 HN LEU 2 45.827 12.796 14.246 14 HA LEU 2 HA LEU 2 43.890 14.048 14.411 15 HB2 LEU 2 HB2 LEU 2 44.804 14.906 12.093 16 HB3 LEU 2 HB1 LEU 2 43.486 13.933 11.410 17 HG LEU 2 HG LEU 2 41.986 15.202 13.212 18 HD11 LEU 2 HD11 LEU 2 43.784 16.371 14.396 19 HD12 LEU 2 HD12 LEU 2 42.795 17.565 13.529 20 HD13 LEU 2 HD13 LEU 2 44.375 17.079 12.874 21 HD21 LEU 2 HD21 LEU 2 41.698 15.425 10.780 22 HD22 LEU 2 HD22 LEU 2 43.075 16.551 10.697 23 HD23 LEU 2 HD23 LEU 2 41.586 17.025 11.549 24 H ARG 3 HN ARG 3 44.106 10.983 13.135 25 HA ARG 3 HA ARG 3 42.651 9.192 13.278 26 HB2 ARG 3 HB2 ARG 3 41.670 10.609 15.262 27 HB3 ARG 3 HB1 ARG 3 40.351 10.983 14.129 28 HG2 ARG 3 HG2 ARG 3 39.997 8.538 13.766 29 HG3 ARG 3 HG1 ARG 3 41.264 8.195 14.968 30 HD2 ARG 3 HD2 ARG 3 38.703 9.767 15.495 31 HD3 ARG 3 HD1 ARG 3 39.005 8.084 15.990 32 HE ARG 3 HE ARG 3 41.122 9.669 17.026 33 HH11 ARG 3 HH11 ARG 3 37.754 10.129 17.107 34 HH12 ARG 3 HH12 ARG 3 37.658 10.274 18.831 35 HH21 ARG 3 HH21 ARG 3 40.998 9.492 19.347 36 HH22 ARG 3 HH22 ARG 3 39.494 9.913 20.099 37 H ARG 4 HN ARG 4 40.666 12.034 12.284 38 HA ARG 4 HA ARG 4 39.338 10.491 10.208 39 HB2 ARG 4 HB2 ARG 4 39.508 13.508 10.578 40 HB3 ARG 4 HB1 ARG 4 38.328 12.628 9.578 41 HG2 ARG 4 HG2 ARG 4 37.468 11.473 11.590 42 HG3 ARG 4 HG1 ARG 4 38.658 12.334 12.596 43 HD2 ARG 4 HD2 ARG 4 36.401 13.416 12.646 44 HD3 ARG 4 HD1 ARG 4 37.660 14.493 11.996 45 HE ARG 4 HE ARG 4 36.409 14.531 10.005 46 HH11 ARG 4 HH11 ARG 4 34.206 13.068 11.666 47 HH12 ARG 4 HH12 ARG 4 33.800 11.797 10.563 48 HH21 ARG 4 HH21 ARG 4 36.613 12.252 8.589 49 HH22 ARG 4 HH22 ARG 4 35.163 11.334 8.820 50 H ILE 5 HN ILE 5 42.461 11.501 10.418 51 HA ILE 5 HA ILE 5 44.120 11.940 8.856 52 HB ILE 5 HB ILE 5 42.281 10.624 6.812 53 HG12 ILE 5 HG12 ILE 5 44.086 9.310 8.899 54 HG13 ILE 5 HG11 ILE 5 42.308 9.266 8.889 55 HG21 ILE 5 HG21 ILE 5 45.304 10.431 7.144 56 HG22 ILE 5 HG22 ILE 5 44.531 11.697 6.160 57 HG23 ILE 5 HG23 ILE 5 44.322 9.986 5.727 58 HD11 ILE 5 HD1 ILE 5 42.938 7.210 7.887 59 HD12 ILE 5 HD2 ILE 5 44.242 7.966 6.944 60 HD13 ILE 5 HD3 ILE 5 42.542 8.252 6.501 61 H GLY 6 HN GLY 6 43.095 14.228 9.252 62 HA2 GLY 6 HA1 GLY 6 42.547 16.285 8.348 63 HA3 GLY 6 HA2 GLY 6 43.362 15.703 6.883 64 H LYS 7 HN LYS 7 40.582 13.985 8.106 65 HA LYS 7 HA LYS 7 38.511 13.613 7.122 66 HB2 LYS 7 HB2 LYS 7 38.248 15.964 8.034 67 HB3 LYS 7 HB1 LYS 7 38.624 16.565 6.402 68 HG2 LYS 7 HG2 LYS 7 36.724 15.219 5.495 69 HG3 LYS 7 HG1 LYS 7 36.325 14.705 7.151 70 HD2 LYS 7 HD2 LYS 7 35.837 16.973 7.825 71 HD3 LYS 7 HD1 LYS 7 36.484 17.625 6.300 72 HE2 LYS 7 HE2 LYS 7 34.028 17.579 6.207 73 HE3 LYS 7 HE1 LYS 7 34.698 16.404 5.050 74 HZ1 LYS 7 HZ1 LYS 7 34.098 14.635 6.372 75 HZ2 LYS 7 HZ2 LYS 7 32.802 15.699 6.646 76 HZ3 LYS 7 HZ3 LYS 7 34.043 15.552 7.798 77 H GLY 8 HN GLY 8 39.055 12.250 5.441 78 HA2 GLY 8 HA1 GLY 8 39.065 11.632 3.208 79 HA3 GLY 8 HA2 GLY 8 38.546 13.277 2.794 80 H VAL 9 HN VAL 9 39.950 12.964 0.915 81 HA VAL 9 HA VAL 9 42.835 12.784 1.354 82 HB VAL 9 HB VAL 9 41.243 13.584 -1.125 83 HG11 VAL 9 HG11 VAL 9 44.187 12.959 -0.652 84 HG12 VAL 9 HG12 VAL 9 43.485 14.435 -1.358 85 HG13 VAL 9 HG13 VAL 9 43.436 12.904 -2.264 86 HG21 VAL 9 HG21 VAL 9 41.785 11.247 -1.834 87 HG22 VAL 9 HG22 VAL 9 40.769 11.289 -0.373 88 HG23 VAL 9 HG23 VAL 9 42.512 10.955 -0.237 89 H LYS 10 HN LYS 10 41.294 15.320 -0.619 90 HA LYS 10 HA LYS 10 41.948 17.486 1.165 91 HB2 LYS 10 HB2 LYS 10 44.262 16.908 0.644 92 HB3 LYS 10 HB1 LYS 10 43.907 16.909 -1.095 93 HG2 LYS 10 HG2 LYS 10 45.051 18.997 -0.344 94 HG3 LYS 10 HG1 LYS 10 43.453 19.324 -1.042 95 HD2 LYS 10 HD2 LYS 10 42.475 19.764 1.078 96 HD3 LYS 10 HD1 LYS 10 43.783 18.933 1.957 97 HE2 LYS 10 HE2 LYS 10 43.914 21.437 2.122 98 HE3 LYS 10 HE1 LYS 10 45.359 20.711 1.377 99 HZ1 LYS 10 HZ1 LYS 10 44.594 21.309 -0.769 100 HZ2 LYS 10 HZ2 LYS 10 44.425 22.695 0.198 101 HZ3 LYS 10 HZ3 LYS 10 43.063 21.759 -0.196 102 H ILE 11 HN ILE 11 40.974 16.128 -1.855 103 HA ILE 11 HA ILE 11 39.538 18.682 -2.528 104 HB ILE 11 HB ILE 11 40.916 16.951 -4.625 105 HG12 ILE 11 HG12 ILE 11 41.843 19.576 -3.364 106 HG13 ILE 11 HG11 ILE 11 42.623 17.990 -3.163 107 HG21 ILE 11 HG21 ILE 11 39.908 19.823 -4.800 108 HG22 ILE 11 HG22 ILE 11 38.883 18.424 -5.196 109 HG23 ILE 11 HG23 ILE 11 40.359 18.737 -6.134 110 HD11 ILE 11 HD1 ILE 11 42.785 17.968 -5.769 111 HD12 ILE 11 HD2 ILE 11 43.894 19.034 -4.873 112 HD13 ILE 11 HD3 ILE 11 42.451 19.714 -5.657 113 H ILE 12 HN ILE 12 39.983 15.195 -3.204 114 HA ILE 12 HA ILE 12 37.282 14.941 -4.306 115 HB ILE 12 HB ILE 12 39.282 12.867 -3.349 116 HG12 ILE 12 HG12 ILE 12 38.701 13.802 -6.202 117 HG13 ILE 12 HG11 ILE 12 40.039 14.430 -5.216 118 HG21 ILE 12 HG21 ILE 12 36.674 12.675 -4.909 119 HG22 ILE 12 HG22 ILE 12 37.181 11.751 -3.477 120 HG23 ILE 12 HG23 ILE 12 37.919 11.416 -5.052 121 HD11 ILE 12 HD1 ILE 12 41.167 12.732 -6.350 122 HD12 ILE 12 HD2 ILE 12 39.720 11.714 -6.498 123 HD13 ILE 12 HD3 ILE 12 40.596 11.795 -4.951 124 H GLY 13 HN GLY 13 38.450 12.640 -1.888 125 HA2 GLY 13 HA1 GLY 13 35.979 12.644 -0.444 126 HA3 GLY 13 HA2 GLY 13 37.535 12.020 0.152 127 H GLY 14 HN GLY 14 38.298 14.869 -0.908 128 HA2 GLY 14 HA1 GLY 14 38.299 16.157 1.746 129 HA3 GLY 14 HA2 GLY 14 39.082 16.747 0.261 130 H ALA 15 HN ALA 15 37.004 16.795 -1.583 131 HA ALA 15 HA ALA 15 35.381 19.049 -0.435 132 HB1 ALA 15 HB1 ALA 15 35.357 17.927 -3.263 133 HB2 ALA 15 HB2 ALA 15 36.457 19.219 -2.716 134 HB3 ALA 15 HB3 ALA 15 34.700 19.480 -2.704 135 H ALA 16 HN ALA 16 35.152 16.275 0.436 136 HA ALA 16 HA ALA 16 33.419 14.909 1.112 137 HB1 ALA 16 HB1 ALA 16 31.402 16.475 -0.516 138 HB2 ALA 16 HB2 ALA 16 32.094 17.175 0.966 139 HB3 ALA 16 HB3 ALA 16 31.195 15.642 1.044 140 H LEU 17 HN LEU 17 35.069 14.159 -0.938 141 HA LEU 17 HA LEU 17 35.153 12.605 -2.661 142 HB2 LEU 17 HB2 LEU 17 32.172 12.137 -2.278 143 HB3 LEU 17 HB1 LEU 17 33.351 11.039 -3.014 144 HG LEU 17 HG LEU 17 33.746 11.937 -0.133 145 HD11 LEU 17 HD11 LEU 17 31.423 11.135 -0.221 146 HD12 LEU 17 HD12 LEU 17 32.456 9.944 0.606 147 HD13 LEU 17 HD13 LEU 17 31.947 9.664 -1.076 148 HD21 LEU 17 HD21 LEU 17 35.474 10.597 -1.499 149 HD22 LEU 17 HD22 LEU 17 34.308 9.256 -1.474 150 HD23 LEU 17 HD23 LEU 17 34.979 9.881 0.051 151 H ASP 18 HN ASP 18 34.795 15.327 -3.264 152 HA ASP 18 HA ASP 18 34.185 16.722 -5.017 153 HB2 ASP 18 HB2 ASP 18 35.551 14.983 -6.210 154 HB3 ASP 18 HB1 ASP 18 34.039 14.126 -6.596 155 H HIS 19 HN HIS 19 32.051 16.019 -3.338 156 HA HIS 19 HA HIS 19 29.729 15.949 -3.283 157 HB2 HIS 19 HB2 HIS 19 30.028 17.277 -6.006 158 HB3 HIS 19 HB1 HIS 19 28.591 17.329 -4.958 159 HD1 HIS 19 HD1 HIS 19 30.735 19.720 -5.901 160 HD2 HIS 19 HD2 HIS 19 30.119 18.034 -2.098 161 HE1 HIS 19 HE1 HIS 19 31.603 21.393 -4.177 162 H LEU 20 HN LEU 20 31.023 13.582 -4.284 163 HA LEU 20 HA LEU 20 29.771 12.604 -6.662 164 HB2 LEU 20 HB2 LEU 20 31.712 11.478 -5.785 165 HB3 LEU 20 HB1 LEU 20 30.922 11.205 -4.217 166 HG LEU 20 HG LEU 20 29.375 9.611 -5.184 167 HD11 LEU 20 HD11 LEU 20 30.493 10.612 -7.831 168 HD12 LEU 20 HD12 LEU 20 28.796 10.556 -7.297 169 HD13 LEU 20 HD13 LEU 20 29.651 9.049 -7.700 170 HD21 LEU 20 HD21 LEU 20 32.175 9.173 -6.313 171 HD22 LEU 20 HD22 LEU 20 30.950 7.907 -6.061 172 HD23 LEU 20 HD23 LEU 20 31.642 8.766 -4.665 Start of MODEL 34 1 H1 TRP 1 HT1 TRP 1 28.412 12.186 3.033 2 H2 TRP 1 HT2 TRP 1 27.247 11.364 3.959 3 H3 TRP 1 HT3 TRP 1 28.157 10.528 2.793 4 HA TRP 1 HA TRP 1 29.073 11.674 5.344 5 HB2 TRP 1 HB2 TRP 1 29.159 8.855 4.200 6 HB3 TRP 1 HB1 TRP 1 29.736 9.356 5.807 7 HD1 TRP 1 HD1 TRP 1 27.782 10.495 7.427 8 HE1 TRP 1 HE1 TRP 1 25.290 9.813 7.724 9 HE3 TRP 1 HE3 TRP 1 27.150 7.839 3.097 10 HZ2 TRP 1 HZ2 TRP 1 23.316 8.314 6.258 11 HZ3 TRP 1 HZ3 TRP 1 24.955 6.790 2.566 12 HH2 TRP 1 HH2 TRP 1 23.038 7.026 4.141 13 H LEU 2 HN LEU 2 31.400 10.827 5.766 14 HA LEU 2 HA LEU 2 33.073 12.017 3.695 15 HB2 LEU 2 HB2 LEU 2 34.014 10.393 6.085 16 HB3 LEU 2 HB1 LEU 2 34.883 11.678 5.216 17 HG LEU 2 HG LEU 2 32.325 12.066 6.839 18 HD11 LEU 2 HD11 LEU 2 35.188 12.935 7.429 19 HD12 LEU 2 HD12 LEU 2 34.380 11.541 8.183 20 HD13 LEU 2 HD13 LEU 2 33.763 13.187 8.465 21 HD21 LEU 2 HD21 LEU 2 33.065 14.537 6.540 22 HD22 LEU 2 HD22 LEU 2 32.352 13.734 5.125 23 HD23 LEU 2 HD23 LEU 2 34.117 13.939 5.235 24 H ARG 3 HN ARG 3 31.716 8.964 4.167 25 HA ARG 3 HA ARG 3 31.922 7.000 2.979 26 HB2 ARG 3 HB2 ARG 3 34.175 8.245 1.361 27 HB3 ARG 3 HB1 ARG 3 33.170 6.853 0.934 28 HG2 ARG 3 HG2 ARG 3 31.908 9.578 1.435 29 HG3 ARG 3 HG1 ARG 3 32.600 9.168 -0.145 30 HD2 ARG 3 HD2 ARG 3 30.406 7.616 1.302 31 HD3 ARG 3 HD1 ARG 3 30.192 8.667 -0.114 32 HE ARG 3 HE ARG 3 32.153 6.665 -0.720 33 HH11 ARG 3 HH11 ARG 3 30.413 6.884 -2.839 34 HH12 ARG 3 HH12 ARG 3 29.209 5.655 -2.636 35 HH21 ARG 3 HH21 ARG 3 29.899 5.163 0.727 36 HH22 ARG 3 HH22 ARG 3 28.917 4.681 -0.616 37 H ARG 4 HN ARG 4 35.047 8.509 3.862 38 HA ARG 4 HA ARG 4 36.290 5.857 4.223 39 HB2 ARG 4 HB2 ARG 4 37.564 7.850 3.403 40 HB3 ARG 4 HB1 ARG 4 37.314 8.624 4.986 41 HG2 ARG 4 HG2 ARG 4 38.622 6.979 6.123 42 HG3 ARG 4 HG1 ARG 4 38.586 5.867 4.734 43 HD2 ARG 4 HD2 ARG 4 40.780 7.056 4.973 44 HD3 ARG 4 HD1 ARG 4 39.977 7.393 3.421 45 HE ARG 4 HE ARG 4 39.189 9.402 5.289 46 HH11 ARG 4 HH11 ARG 4 42.217 8.924 5.769 47 HH12 ARG 4 HH12 ARG 4 42.886 10.151 4.748 48 HH21 ARG 4 HH21 ARG 4 39.930 10.701 3.022 49 HH22 ARG 4 HH22 ARG 4 41.592 11.157 3.192 50 H ILE 5 HN ILE 5 34.218 7.859 5.996 51 HA ILE 5 HA ILE 5 33.534 7.822 8.208 52 HB ILE 5 HB ILE 5 35.043 5.190 8.495 53 HG12 ILE 5 HG12 ILE 5 32.282 5.719 7.299 54 HG13 ILE 5 HG11 ILE 5 33.708 5.123 6.418 55 HG21 ILE 5 HG21 ILE 5 32.387 6.070 9.702 56 HG22 ILE 5 HG22 ILE 5 33.947 6.384 10.499 57 HG23 ILE 5 HG23 ILE 5 33.426 4.713 10.197 58 HD11 ILE 5 HD1 ILE 5 32.469 3.157 6.901 59 HD12 ILE 5 HD2 ILE 5 32.069 3.705 8.546 60 HD13 ILE 5 HD3 ILE 5 33.729 3.184 8.158 61 H GLY 6 HN GLY 6 35.320 9.598 8.123 62 HA2 GLY 6 HA1 GLY 6 36.592 9.688 10.610 63 HA3 GLY 6 HA2 GLY 6 37.802 9.030 9.490 64 H LYS 7 HN LYS 7 38.089 10.285 7.411 65 HA LYS 7 HA LYS 7 37.533 13.202 7.697 66 HB2 LYS 7 HB2 LYS 7 40.350 12.122 7.290 67 HB3 LYS 7 HB1 LYS 7 39.861 13.828 7.436 68 HG2 LYS 7 HG2 LYS 7 38.938 13.243 9.746 69 HG3 LYS 7 HG1 LYS 7 39.761 11.673 9.586 70 HD2 LYS 7 HD2 LYS 7 41.136 14.390 9.357 71 HD3 LYS 7 HD1 LYS 7 41.127 13.382 10.822 72 HE2 LYS 7 HE2 LYS 7 42.100 11.504 9.303 73 HE3 LYS 7 HE1 LYS 7 42.438 12.813 8.144 74 HZ1 LYS 7 HZ1 LYS 7 44.349 12.789 9.378 75 HZ2 LYS 7 HZ2 LYS 7 43.568 12.350 10.821 76 HZ3 LYS 7 HZ3 LYS 7 43.455 13.943 10.242 77 H GLY 8 HN GLY 8 39.728 13.623 5.644 78 HA2 GLY 8 HA1 GLY 8 38.788 12.105 3.304 79 HA3 GLY 8 HA2 GLY 8 38.298 13.811 3.328 80 H VAL 9 HN VAL 9 39.698 13.332 1.229 81 HA VAL 9 HA VAL 9 42.562 13.301 1.602 82 HB VAL 9 HB VAL 9 40.980 14.318 -0.804 83 HG11 VAL 9 HG11 VAL 9 43.851 13.377 -0.393 84 HG12 VAL 9 HG12 VAL 9 43.313 14.978 -0.950 85 HG13 VAL 9 HG13 VAL 9 43.099 13.555 -1.995 86 HG21 VAL 9 HG21 VAL 9 42.100 11.542 -0.231 87 HG22 VAL 9 HG22 VAL 9 41.168 12.043 -1.662 88 HG23 VAL 9 HG23 VAL 9 40.384 11.986 -0.065 89 H LYS 10 HN LYS 10 41.443 15.932 -0.405 90 HA LYS 10 HA LYS 10 41.905 17.982 1.665 91 HB2 LYS 10 HB2 LYS 10 43.836 17.584 -0.660 92 HB3 LYS 10 HB1 LYS 10 43.741 19.068 0.318 93 HG2 LYS 10 HG2 LYS 10 44.103 17.549 2.376 94 HG3 LYS 10 HG1 LYS 10 44.547 16.273 1.217 95 HD2 LYS 10 HD2 LYS 10 46.321 17.705 0.284 96 HD3 LYS 10 HD1 LYS 10 45.864 19.017 1.400 97 HE2 LYS 10 HE2 LYS 10 46.437 17.630 3.334 98 HE3 LYS 10 HE1 LYS 10 46.780 16.242 2.274 99 HZ1 LYS 10 HZ1 LYS 10 48.186 18.801 1.852 100 HZ2 LYS 10 HZ2 LYS 10 48.680 17.223 1.460 101 HZ3 LYS 10 HZ3 LYS 10 48.707 17.749 3.076 102 H ILE 11 HN ILE 11 41.308 17.029 -1.687 103 HA ILE 11 HA ILE 11 39.640 19.522 -2.027 104 HB ILE 11 HB ILE 11 41.201 18.177 -4.272 105 HG12 ILE 11 HG12 ILE 11 41.965 20.598 -2.571 106 HG13 ILE 11 HG11 ILE 11 42.811 19.033 -2.613 107 HG21 ILE 11 HG21 ILE 11 39.129 19.654 -4.703 108 HG22 ILE 11 HG22 ILE 11 40.626 20.135 -5.532 109 HG23 ILE 11 HG23 ILE 11 40.095 21.011 -4.076 110 HD11 ILE 11 HD1 ILE 11 44.081 20.413 -4.070 111 HD12 ILE 11 HD2 ILE 11 42.627 21.143 -4.790 112 HD13 ILE 11 HD3 ILE 11 43.060 19.457 -5.170 113 H ILE 12 HN ILE 12 40.355 16.226 -3.235 114 HA ILE 12 HA ILE 12 37.724 15.966 -4.477 115 HB ILE 12 HB ILE 12 39.808 13.890 -3.725 116 HG12 ILE 12 HG12 ILE 12 39.376 14.910 -6.562 117 HG13 ILE 12 HG11 ILE 12 40.344 15.887 -5.436 118 HG21 ILE 12 HG21 ILE 12 38.584 12.670 -5.744 119 HG22 ILE 12 HG22 ILE 12 37.250 13.783 -5.373 120 HG23 ILE 12 HG23 ILE 12 37.833 12.645 -4.136 121 HD11 ILE 12 HD1 ILE 12 41.636 14.205 -6.882 122 HD12 ILE 12 HD2 ILE 12 40.898 12.929 -5.886 123 HD13 ILE 12 HD3 ILE 12 41.950 14.148 -5.133 124 H GLY 13 HN GLY 13 38.916 13.368 -2.403 125 HA2 GLY 13 HA1 GLY 13 36.415 12.944 -1.117 126 HA3 GLY 13 HA2 GLY 13 37.995 12.396 -0.513 127 H GLY 14 HN GLY 14 38.591 15.393 -1.041 128 HA2 GLY 14 HA1 GLY 14 38.277 16.247 1.760 129 HA3 GLY 14 HA2 GLY 14 39.087 17.134 0.449 130 H ALA 15 HN ALA 15 37.128 17.295 -1.509 131 HA ALA 15 HA ALA 15 35.254 19.214 -0.181 132 HB1 ALA 15 HB1 ALA 15 34.612 19.839 -2.438 133 HB2 ALA 15 HB2 ALA 15 35.511 18.467 -3.120 134 HB3 ALA 15 HB3 ALA 15 36.386 19.807 -2.334 135 H ALA 16 HN ALA 16 35.217 16.317 0.288 136 HA ALA 16 HA ALA 16 33.538 14.793 0.737 137 HB1 ALA 16 HB1 ALA 16 31.275 15.352 0.565 138 HB2 ALA 16 HB2 ALA 16 31.509 16.314 -0.912 139 HB3 ALA 16 HB3 ALA 16 32.034 16.957 0.661 140 H LEU 17 HN LEU 17 35.405 14.590 -1.416 141 HA LEU 17 HA LEU 17 35.705 13.328 -3.348 142 HB2 LEU 17 HB2 LEU 17 34.221 11.793 -1.684 143 HB3 LEU 17 HB1 LEU 17 33.052 11.925 -3.013 144 HG LEU 17 HG LEU 17 35.950 11.002 -3.336 145 HD11 LEU 17 HD11 LEU 17 34.616 9.409 -1.998 146 HD12 LEU 17 HD12 LEU 17 34.958 8.749 -3.616 147 HD13 LEU 17 HD13 LEU 17 33.349 9.413 -3.248 148 HD21 LEU 17 HD21 LEU 17 35.037 11.979 -5.389 149 HD22 LEU 17 HD22 LEU 17 33.539 11.034 -5.209 150 HD23 LEU 17 HD23 LEU 17 35.075 10.210 -5.560 151 H ASP 18 HN ASP 18 34.688 15.848 -3.776 152 HA ASP 18 HA ASP 18 33.527 17.130 -5.326 153 HB2 ASP 18 HB2 ASP 18 33.904 14.578 -6.941 154 HB3 ASP 18 HB1 ASP 18 33.396 16.142 -7.621 155 H HIS 19 HN HIS 19 31.939 15.542 -3.428 156 HA HIS 19 HA HIS 19 29.729 14.910 -3.091 157 HB2 HIS 19 HB2 HIS 19 29.448 17.300 -3.770 158 HB3 HIS 19 HB1 HIS 19 29.219 16.764 -5.451 159 HD1 HIS 19 HD1 HIS 19 27.713 16.099 -1.972 160 HD2 HIS 19 HD2 HIS 19 26.574 16.227 -6.017 161 HE1 HIS 19 HE1 HIS 19 25.198 15.662 -2.069 162 H LEU 20 HN LEU 20 30.816 12.838 -4.176 163 HA LEU 20 HA LEU 20 28.713 11.648 -5.739 164 HB2 LEU 20 HB2 LEU 20 29.589 12.892 -7.612 165 HB3 LEU 20 HB1 LEU 20 31.259 12.439 -7.207 166 HG LEU 20 HG LEU 20 30.857 10.122 -7.808 167 HD11 LEU 20 HD11 LEU 20 27.945 11.000 -7.934 168 HD12 LEU 20 HD12 LEU 20 28.661 9.662 -7.002 169 HD13 LEU 20 HD13 LEU 20 28.515 9.535 -8.769 170 HD21 LEU 20 HD21 LEU 20 31.233 11.834 -9.640 171 HD22 LEU 20 HD22 LEU 20 29.472 11.856 -9.898 172 HD23 LEU 20 HD23 LEU 20 30.394 10.359 -10.174 Start of MODEL 35 1 H1 TRP 1 HT1 TRP 1 42.156 8.217 14.838 2 H2 TRP 1 HT2 TRP 1 43.121 7.112 13.980 3 H3 TRP 1 HT3 TRP 1 41.528 7.425 13.477 4 HA TRP 1 HA TRP 1 42.120 9.717 13.022 5 HB2 TRP 1 HB2 TRP 1 44.571 10.233 12.916 6 HB3 TRP 1 HB1 TRP 1 43.982 9.949 14.571 7 HD1 TRP 1 HD1 TRP 1 46.350 8.618 11.968 8 HE1 TRP 1 HE1 TRP 1 47.675 6.581 12.897 9 HE3 TRP 1 HE3 TRP 1 43.710 7.840 16.285 10 HZ2 TRP 1 HZ2 TRP 1 47.575 4.869 15.209 11 HZ3 TRP 1 HZ3 TRP 1 44.342 6.000 17.838 12 HH2 TRP 1 HH2 TRP 1 46.271 4.515 17.305 13 H LEU 2 HN LEU 2 42.068 10.017 10.881 14 HA LEU 2 HA LEU 2 42.510 7.728 9.139 15 HB2 LEU 2 HB2 LEU 2 42.109 10.601 8.249 16 HB3 LEU 2 HB1 LEU 2 41.660 9.104 7.398 17 HG LEU 2 HG LEU 2 40.439 10.123 10.004 18 HD11 LEU 2 HD11 LEU 2 38.417 10.442 8.628 19 HD12 LEU 2 HD12 LEU 2 39.289 9.860 7.190 20 HD13 LEU 2 HD13 LEU 2 39.772 11.387 7.967 21 HD21 LEU 2 HD21 LEU 2 38.777 8.206 9.461 22 HD22 LEU 2 HD22 LEU 2 40.366 7.735 10.105 23 HD23 LEU 2 HD23 LEU 2 40.033 7.588 8.361 24 H ARG 3 HN ARG 3 43.808 11.035 8.784 25 HA ARG 3 HA ARG 3 46.573 10.026 8.591 26 HB2 ARG 3 HB2 ARG 3 45.583 9.627 6.298 27 HB3 ARG 3 HB1 ARG 3 45.281 11.377 6.183 28 HG2 ARG 3 HG2 ARG 3 47.635 11.881 6.304 29 HG3 ARG 3 HG1 ARG 3 48.036 10.204 6.751 30 HD2 ARG 3 HD2 ARG 3 47.407 9.389 4.566 31 HD3 ARG 3 HD1 ARG 3 46.703 10.961 4.119 32 HE ARG 3 HE ARG 3 48.872 11.525 3.408 33 HH11 ARG 3 HH11 ARG 3 49.979 12.021 6.061 34 HH12 ARG 3 HH12 ARG 3 51.264 10.867 6.188 35 HH21 ARG 3 HH21 ARG 3 50.105 8.891 3.586 36 HH22 ARG 3 HH22 ARG 3 51.335 9.095 4.788 37 H ARG 4 HN ARG 4 44.169 12.302 9.147 38 HA ARG 4 HA ARG 4 46.118 14.257 10.134 39 HB2 ARG 4 HB2 ARG 4 45.792 14.737 7.613 40 HB3 ARG 4 HB1 ARG 4 44.131 15.208 8.034 41 HG2 ARG 4 HG2 ARG 4 44.938 16.954 9.527 42 HG3 ARG 4 HG1 ARG 4 46.620 16.406 9.333 43 HD2 ARG 4 HD2 ARG 4 46.602 17.012 6.974 44 HD3 ARG 4 HD1 ARG 4 44.867 17.403 7.048 45 HE ARG 4 HE ARG 4 45.457 19.491 7.976 46 HH11 ARG 4 HH11 ARG 4 46.902 20.979 8.877 47 HH12 ARG 4 HH12 ARG 4 48.516 20.477 9.258 48 HH21 ARG 4 HH21 ARG 4 48.029 17.206 8.217 49 HH22 ARG 4 HH22 ARG 4 49.154 18.342 8.885 50 H ILE 5 HN ILE 5 43.307 12.541 10.238 51 HA ILE 5 HA ILE 5 41.230 12.847 11.265 52 HB ILE 5 HB ILE 5 42.501 12.094 13.128 53 HG12 ILE 5 HG12 ILE 5 41.445 13.156 15.037 54 HG13 ILE 5 HG11 ILE 5 41.141 14.642 14.116 55 HG21 ILE 5 HG21 ILE 5 43.583 14.930 13.365 56 HG22 ILE 5 HG22 ILE 5 44.486 13.462 12.936 57 HG23 ILE 5 HG23 ILE 5 43.827 13.655 14.575 58 HD11 ILE 5 HD1 ILE 5 39.169 12.983 14.378 59 HD12 ILE 5 HD2 ILE 5 40.038 11.953 13.216 60 HD13 ILE 5 HD3 ILE 5 39.503 13.582 12.739 61 H GLY 6 HN GLY 6 40.061 14.310 10.133 62 HA2 GLY 6 HA1 GLY 6 39.027 16.559 11.330 63 HA3 GLY 6 HA2 GLY 6 40.463 17.188 10.497 64 H LYS 7 HN LYS 7 40.174 15.048 8.397 65 HA LYS 7 HA LYS 7 37.630 15.485 7.086 66 HB2 LYS 7 HB2 LYS 7 38.562 16.824 5.160 67 HB3 LYS 7 HB1 LYS 7 38.432 17.730 6.688 68 HG2 LYS 7 HG2 LYS 7 40.826 17.307 7.153 69 HG3 LYS 7 HG1 LYS 7 40.962 16.393 5.631 70 HD2 LYS 7 HD2 LYS 7 40.378 18.387 4.333 71 HD3 LYS 7 HD1 LYS 7 40.112 19.316 5.829 72 HE2 LYS 7 HE2 LYS 7 42.341 19.818 4.920 73 HE3 LYS 7 HE1 LYS 7 42.498 18.936 6.458 74 HZ1 LYS 7 HZ1 LYS 7 43.478 18.213 3.929 75 HZ2 LYS 7 HZ2 LYS 7 42.313 17.063 4.381 76 HZ3 LYS 7 HZ3 LYS 7 43.638 17.380 5.397 77 H GLY 8 HN GLY 8 37.903 14.884 4.618 78 HA2 GLY 8 HA1 GLY 8 39.103 12.245 4.626 79 HA3 GLY 8 HA2 GLY 8 38.316 13.049 3.256 80 H VAL 9 HN VAL 9 39.609 13.192 1.561 81 HA VAL 9 HA VAL 9 42.493 13.014 1.841 82 HB VAL 9 HB VAL 9 40.804 13.779 -0.584 83 HG11 VAL 9 HG11 VAL 9 43.732 13.009 -0.230 84 HG12 VAL 9 HG12 VAL 9 43.082 14.504 -0.944 85 HG13 VAL 9 HG13 VAL 9 42.897 12.956 -1.800 86 HG21 VAL 9 HG21 VAL 9 42.087 11.114 0.147 87 HG22 VAL 9 HG22 VAL 9 40.976 11.447 -1.204 88 HG23 VAL 9 HG23 VAL 9 40.382 11.506 0.473 89 H LYS 10 HN LYS 10 41.114 15.497 -0.270 90 HA LYS 10 HA LYS 10 41.748 17.743 1.423 91 HB2 LYS 10 HB2 LYS 10 44.074 16.845 0.917 92 HB3 LYS 10 HB1 LYS 10 43.767 17.231 -0.791 93 HG2 LYS 10 HG2 LYS 10 43.358 19.596 -0.193 94 HG3 LYS 10 HG1 LYS 10 43.649 19.217 1.521 95 HD2 LYS 10 HD2 LYS 10 45.951 18.467 0.959 96 HD3 LYS 10 HD1 LYS 10 45.661 18.876 -0.748 97 HE2 LYS 10 HE2 LYS 10 45.361 20.902 1.505 98 HE3 LYS 10 HE1 LYS 10 46.887 20.656 0.623 99 HZ1 LYS 10 HZ1 LYS 10 44.362 21.128 -0.840 100 HZ2 LYS 10 HZ2 LYS 10 45.961 21.396 -1.348 101 HZ3 LYS 10 HZ3 LYS 10 45.242 22.433 -0.209 102 H ILE 11 HN ILE 11 41.146 16.294 -1.710 103 HA ILE 11 HA ILE 11 39.800 18.849 -2.586 104 HB ILE 11 HB ILE 11 41.228 16.942 -4.482 105 HG12 ILE 11 HG12 ILE 11 42.268 19.504 -3.186 106 HG13 ILE 11 HG11 ILE 11 42.914 17.864 -2.950 107 HG21 ILE 11 HG21 ILE 11 40.499 19.878 -4.838 108 HG22 ILE 11 HG22 ILE 11 39.373 18.562 -5.250 109 HG23 ILE 11 HG23 ILE 11 40.934 18.692 -6.092 110 HD11 ILE 11 HD1 ILE 11 44.361 18.824 -4.569 111 HD12 ILE 11 HD2 ILE 11 43.018 19.596 -5.442 112 HD13 ILE 11 HD3 ILE 11 43.243 17.832 -5.534 113 H ILE 12 HN ILE 12 40.144 15.320 -3.092 114 HA ILE 12 HA ILE 12 37.425 15.172 -4.265 115 HB ILE 12 HB ILE 12 39.440 13.018 -3.527 116 HG12 ILE 12 HG12 ILE 12 40.414 14.485 -5.194 117 HG13 ILE 12 HG11 ILE 12 39.946 12.973 -5.996 118 HG21 ILE 12 HG21 ILE 12 37.469 11.788 -3.755 119 HG22 ILE 12 HG22 ILE 12 37.971 11.825 -5.459 120 HG23 ILE 12 HG23 ILE 12 36.728 12.955 -4.874 121 HD11 ILE 12 HD1 ILE 12 38.655 15.712 -6.184 122 HD12 ILE 12 HD2 ILE 12 37.702 14.252 -6.537 123 HD13 ILE 12 HD3 ILE 12 39.155 14.617 -7.491 124 H GLY 13 HN GLY 13 38.590 12.621 -2.132 125 HA2 GLY 13 HA1 GLY 13 36.196 12.503 -0.611 126 HA3 GLY 13 HA2 GLY 13 37.771 11.859 -0.103 127 H GLY 14 HN GLY 14 38.549 14.765 -0.865 128 HA2 GLY 14 HA1 GLY 14 38.511 15.810 1.888 129 HA3 GLY 14 HA2 GLY 14 39.313 16.530 0.474 130 H ALA 15 HN ALA 15 37.302 16.796 -1.387 131 HA ALA 15 HA ALA 15 35.650 18.917 -0.060 132 HB1 ALA 15 HB1 ALA 15 35.630 18.078 -2.981 133 HB2 ALA 15 HB2 ALA 15 36.791 19.253 -2.309 134 HB3 ALA 15 HB3 ALA 15 35.048 19.600 -2.272 135 H ALA 16 HN ALA 16 35.410 16.022 0.470 136 HA ALA 16 HA ALA 16 33.641 14.639 1.018 137 HB1 ALA 16 HB1 ALA 16 31.653 16.331 -0.513 138 HB2 ALA 16 HB2 ALA 16 32.327 16.923 1.023 139 HB3 ALA 16 HB3 ALA 16 31.427 15.389 0.980 140 H LEU 17 HN LEU 17 35.327 14.040 -1.049 141 HA LEU 17 HA LEU 17 35.437 12.647 -2.907 142 HB2 LEU 17 HB2 LEU 17 32.452 12.140 -2.591 143 HB3 LEU 17 HB1 LEU 17 33.645 11.106 -3.395 144 HG LEU 17 HG LEU 17 33.976 11.775 -0.445 145 HD11 LEU 17 HD11 LEU 17 32.196 9.614 -1.644 146 HD12 LEU 17 HD12 LEU 17 31.691 10.952 -0.585 147 HD13 LEU 17 HD13 LEU 17 32.726 9.653 0.055 148 HD21 LEU 17 HD21 LEU 17 34.611 9.216 -1.977 149 HD22 LEU 17 HD22 LEU 17 35.247 9.737 -0.399 150 HD23 LEU 17 HD23 LEU 17 35.755 10.572 -1.882 151 H ASP 18 HN ASP 18 34.149 15.536 -2.871 152 HA ASP 18 HA ASP 18 33.421 17.031 -4.484 153 HB2 ASP 18 HB2 ASP 18 35.492 16.226 -5.615 154 HB3 ASP 18 HB1 ASP 18 34.531 14.971 -6.432 155 H HIS 19 HN HIS 19 31.357 15.691 -3.498 156 HA HIS 19 HA HIS 19 29.194 14.991 -3.947 157 HB2 HIS 19 HB2 HIS 19 29.725 16.254 -6.667 158 HB3 HIS 19 HB1 HIS 19 28.131 15.902 -5.958 159 HD1 HIS 19 HD1 HIS 19 29.174 16.797 -2.979 160 HD2 HIS 19 HD2 HIS 19 29.221 19.080 -6.512 161 HE1 HIS 19 HE1 HIS 19 29.227 19.257 -2.294 162 H LEU 20 HN LEU 20 30.772 12.891 -4.031 163 HA LEU 20 HA LEU 20 31.118 10.793 -4.975 164 HB2 LEU 20 HB2 LEU 20 28.319 11.522 -5.900 165 HB3 LEU 20 HB1 LEU 20 29.041 9.947 -6.301 166 HG LEU 20 HG LEU 20 29.406 9.487 -3.900 167 HD11 LEU 20 HD11 LEU 20 28.230 12.279 -3.603 168 HD12 LEU 20 HD12 LEU 20 29.737 11.628 -2.913 169 HD13 LEU 20 HD13 LEU 20 28.166 11.094 -2.275 170 HD21 LEU 20 HD21 LEU 20 27.266 8.833 -4.993 171 HD22 LEU 20 HD22 LEU 20 26.558 10.395 -4.520 172 HD23 LEU 20 HD23 LEU 20 27.032 9.217 -3.272 Start of MODEL 36 1 H1 TRP 1 HT1 TRP 1 35.613 24.849 12.725 2 H2 TRP 1 HT2 TRP 1 36.727 24.747 11.445 3 H3 TRP 1 HT3 TRP 1 37.258 25.146 13.009 4 HA TRP 1 HA TRP 1 37.786 22.877 12.423 5 HB2 TRP 1 HB2 TRP 1 35.631 22.966 14.562 6 HB3 TRP 1 HB1 TRP 1 37.081 21.935 14.499 7 HD1 TRP 1 HD1 TRP 1 39.398 23.776 14.051 8 HE1 TRP 1 HE1 TRP 1 40.071 25.694 15.673 9 HE3 TRP 1 HE3 TRP 1 34.912 24.431 16.427 10 HZ2 TRP 1 HZ2 TRP 1 38.805 27.278 17.717 11 HZ3 TRP 1 HZ3 TRP 1 34.666 26.152 18.211 12 HH2 TRP 1 HH2 TRP 1 36.607 27.574 18.857 13 H LEU 2 HN LEU 2 37.232 21.511 10.862 14 HA LEU 2 HA LEU 2 34.547 21.269 9.869 15 HB2 LEU 2 HB2 LEU 2 36.875 20.721 8.761 16 HB3 LEU 2 HB1 LEU 2 36.646 19.116 9.485 17 HG LEU 2 HG LEU 2 34.699 20.527 7.601 18 HD11 LEU 2 HD11 LEU 2 36.807 19.691 6.543 19 HD12 LEU 2 HD12 LEU 2 35.369 18.801 5.989 20 HD13 LEU 2 HD13 LEU 2 36.462 18.070 7.190 21 HD21 LEU 2 HD21 LEU 2 33.694 18.109 7.604 22 HD22 LEU 2 HD22 LEU 2 33.350 19.157 8.996 23 HD23 LEU 2 HD23 LEU 2 34.597 17.893 9.124 24 H ARG 3 HN ARG 3 36.540 18.692 11.320 25 HA ARG 3 HA ARG 3 34.630 17.972 13.347 26 HB2 ARG 3 HB2 ARG 3 33.340 17.243 11.305 27 HB3 ARG 3 HB1 ARG 3 34.681 16.141 10.911 28 HG2 ARG 3 HG2 ARG 3 34.394 14.996 13.085 29 HG3 ARG 3 HG1 ARG 3 33.066 16.107 13.500 30 HD2 ARG 3 HD2 ARG 3 31.720 15.290 11.647 31 HD3 ARG 3 HD1 ARG 3 33.074 14.304 11.042 32 HE ARG 3 HE ARG 3 32.562 13.496 13.717 33 HH11 ARG 3 HH11 ARG 3 29.739 13.678 13.233 34 HH12 ARG 3 HH12 ARG 3 29.349 12.226 12.373 35 HH21 ARG 3 HH21 ARG 3 32.633 11.561 11.478 36 HH22 ARG 3 HH22 ARG 3 30.987 11.028 11.380 37 H ARG 4 HN ARG 4 37.312 17.456 11.259 38 HA ARG 4 HA ARG 4 38.835 16.159 13.428 39 HB2 ARG 4 HB2 ARG 4 38.268 14.792 10.764 40 HB3 ARG 4 HB1 ARG 4 39.632 14.349 11.816 41 HG2 ARG 4 HG2 ARG 4 37.941 13.998 13.692 42 HG3 ARG 4 HG1 ARG 4 36.659 14.194 12.472 43 HD2 ARG 4 HD2 ARG 4 38.903 12.134 12.334 44 HD3 ARG 4 HD1 ARG 4 37.233 11.797 12.852 45 HE ARG 4 HE ARG 4 37.188 13.051 10.271 46 HH11 ARG 4 HH11 ARG 4 35.448 10.981 10.129 47 HH12 ARG 4 HH12 ARG 4 36.306 9.603 9.525 48 HH21 ARG 4 HH21 ARG 4 39.439 10.907 10.239 49 HH22 ARG 4 HH22 ARG 4 38.565 9.561 9.587 50 H ILE 5 HN ILE 5 38.470 18.476 11.222 51 HA ILE 5 HA ILE 5 39.928 19.906 10.139 52 HB ILE 5 HB ILE 5 42.186 18.543 11.665 53 HG12 ILE 5 HG12 ILE 5 40.594 19.049 13.368 54 HG13 ILE 5 HG11 ILE 5 41.739 20.403 13.397 55 HG21 ILE 5 HG21 ILE 5 43.077 20.052 10.069 56 HG22 ILE 5 HG22 ILE 5 43.063 20.977 11.585 57 HG23 ILE 5 HG23 ILE 5 41.813 21.263 10.355 58 HD11 ILE 5 HD1 ILE 5 39.560 21.386 13.523 59 HD12 ILE 5 HD2 ILE 5 38.928 20.340 12.231 60 HD13 ILE 5 HD3 ILE 5 40.084 21.634 11.844 61 H GLY 6 HN GLY 6 40.097 19.551 8.033 62 HA2 GLY 6 HA1 GLY 6 40.939 18.739 6.038 63 HA3 GLY 6 HA2 GLY 6 42.336 18.133 6.949 64 H LYS 7 HN LYS 7 38.828 17.347 6.931 65 HA LYS 7 HA LYS 7 39.316 14.535 7.305 66 HB2 LYS 7 HB2 LYS 7 37.178 15.732 7.863 67 HB3 LYS 7 HB1 LYS 7 36.848 15.864 6.119 68 HG2 LYS 7 HG2 LYS 7 36.835 13.439 5.879 69 HG3 LYS 7 HG1 LYS 7 37.348 13.230 7.571 70 HD2 LYS 7 HD2 LYS 7 35.251 14.333 8.331 71 HD3 LYS 7 HD1 LYS 7 34.731 14.487 6.636 72 HE2 LYS 7 HE2 LYS 7 35.440 11.821 7.925 73 HE3 LYS 7 HE1 LYS 7 33.783 12.470 7.874 74 HZ1 LYS 7 HZ1 LYS 7 34.209 12.707 5.382 75 HZ2 LYS 7 HZ2 LYS 7 33.946 11.142 5.987 76 HZ3 LYS 7 HZ3 LYS 7 35.523 11.659 5.618 77 H GLY 8 HN GLY 8 39.015 12.789 5.849 78 HA2 GLY 8 HA1 GLY 8 39.224 11.713 3.810 79 HA3 GLY 8 HA2 GLY 8 38.610 13.186 3.031 80 H VAL 9 HN VAL 9 40.025 13.079 1.292 81 HA VAL 9 HA VAL 9 42.895 12.833 1.696 82 HB VAL 9 HB VAL 9 41.308 13.827 -0.716 83 HG11 VAL 9 HG11 VAL 9 43.571 14.635 -0.917 84 HG12 VAL 9 HG12 VAL 9 43.472 13.166 -1.917 85 HG13 VAL 9 HG13 VAL 9 44.239 13.101 -0.312 86 HG21 VAL 9 HG21 VAL 9 41.637 11.559 -1.569 87 HG22 VAL 9 HG22 VAL 9 40.856 11.467 0.027 88 HG23 VAL 9 HG23 VAL 9 42.595 11.123 -0.133 89 H LYS 10 HN LYS 10 41.510 15.518 -0.164 90 HA LYS 10 HA LYS 10 42.157 17.575 1.754 91 HB2 LYS 10 HB2 LYS 10 44.477 16.755 1.097 92 HB3 LYS 10 HB1 LYS 10 44.129 17.335 -0.548 93 HG2 LYS 10 HG2 LYS 10 43.678 19.611 0.372 94 HG3 LYS 10 HG1 LYS 10 44.107 19.020 1.995 95 HD2 LYS 10 HD2 LYS 10 46.372 18.443 1.209 96 HD3 LYS 10 HD1 LYS 10 45.951 18.978 -0.436 97 HE2 LYS 10 HE2 LYS 10 45.465 21.265 0.483 98 HE3 LYS 10 HE1 LYS 10 46.036 20.709 2.075 99 HZ1 LYS 10 HZ1 LYS 10 48.110 21.069 1.429 100 HZ2 LYS 10 HZ2 LYS 10 47.559 21.656 -0.069 101 HZ3 LYS 10 HZ3 LYS 10 47.933 20.009 0.117 102 H ILE 11 HN ILE 11 41.442 16.437 -1.466 103 HA ILE 11 HA ILE 11 40.055 19.048 -2.047 104 HB ILE 11 HB ILE 11 41.487 17.333 -4.122 105 HG12 ILE 11 HG12 ILE 11 43.018 18.585 -2.424 106 HG13 ILE 11 HG11 ILE 11 43.311 18.849 -4.151 107 HG21 ILE 11 HG21 ILE 11 39.654 18.530 -5.093 108 HG22 ILE 11 HG22 ILE 11 41.126 19.440 -5.511 109 HG23 ILE 11 HG23 ILE 11 40.061 20.020 -4.208 110 HD11 ILE 11 HD1 ILE 11 41.586 20.717 -2.465 111 HD12 ILE 11 HD2 ILE 11 42.223 21.002 -4.100 112 HD13 ILE 11 HD3 ILE 11 43.329 20.950 -2.710 113 H ILE 12 HN ILE 12 40.410 15.588 -2.872 114 HA ILE 12 HA ILE 12 37.756 15.472 -4.096 115 HB ILE 12 HB ILE 12 39.622 13.284 -3.123 116 HG12 ILE 12 HG12 ILE 12 39.238 14.308 -5.978 117 HG13 ILE 12 HG11 ILE 12 40.515 14.915 -4.904 118 HG21 ILE 12 HG21 ILE 12 38.306 11.951 -4.935 119 HG22 ILE 12 HG22 ILE 12 37.119 13.272 -4.864 120 HG23 ILE 12 HG23 ILE 12 37.460 12.297 -3.416 121 HD11 ILE 12 HD1 ILE 12 40.241 12.191 -6.195 122 HD12 ILE 12 HD2 ILE 12 41.087 12.310 -4.634 123 HD13 ILE 12 HD3 ILE 12 41.674 13.227 -6.037 124 H GLY 13 HN GLY 13 38.717 13.028 -1.724 125 HA2 GLY 13 HA1 GLY 13 36.184 13.027 -0.401 126 HA3 GLY 13 HA2 GLY 13 37.701 12.363 0.251 127 H GLY 14 HN GLY 14 38.606 15.207 -0.632 128 HA2 GLY 14 HA1 GLY 14 38.466 16.397 2.058 129 HA3 GLY 14 HA2 GLY 14 39.341 17.030 0.645 130 H ALA 15 HN ALA 15 37.361 17.191 -1.301 131 HA ALA 15 HA ALA 15 35.753 19.455 -0.175 132 HB1 ALA 15 HB1 ALA 15 35.842 18.357 -3.012 133 HB2 ALA 15 HB2 ALA 15 36.886 19.666 -2.400 134 HB3 ALA 15 HB3 ALA 15 35.125 19.893 -2.479 135 H ALA 16 HN ALA 16 35.401 16.668 0.644 136 HA ALA 16 HA ALA 16 33.584 15.387 1.270 137 HB1 ALA 16 HB1 ALA 16 31.690 16.969 -0.480 138 HB2 ALA 16 HB2 ALA 16 32.336 17.691 1.013 139 HB3 ALA 16 HB3 ALA 16 31.393 16.184 1.089 140 H LEU 17 HN LEU 17 35.342 14.729 -0.857 141 HA LEU 17 HA LEU 17 35.436 13.208 -2.621 142 HB2 LEU 17 HB2 LEU 17 33.870 11.986 -0.925 143 HB3 LEU 17 HB1 LEU 17 32.561 12.435 -2.039 144 HG LEU 17 HG LEU 17 34.217 11.391 -3.887 145 HD11 LEU 17 HD11 LEU 17 34.940 9.726 -1.438 146 HD12 LEU 17 HD12 LEU 17 36.000 11.004 -2.072 147 HD13 LEU 17 HD13 LEU 17 35.600 9.598 -3.084 148 HD21 LEU 17 HD21 LEU 17 32.485 9.801 -1.942 149 HD22 LEU 17 HD22 LEU 17 33.127 9.139 -3.464 150 HD23 LEU 17 HD23 LEU 17 31.991 10.508 -3.498 151 H ASP 18 HN ASP 18 34.974 15.752 -3.407 152 HA ASP 18 HA ASP 18 34.204 16.999 -5.196 153 HB2 ASP 18 HB2 ASP 18 35.054 14.984 -6.444 154 HB3 ASP 18 HB1 ASP 18 33.400 14.329 -6.414 155 H HIS 19 HN HIS 19 31.838 14.328 -5.497 156 HA HIS 19 HA HIS 19 29.709 15.929 -4.258 157 HB2 HIS 19 HB2 HIS 19 29.826 16.980 -6.490 158 HB3 HIS 19 HB1 HIS 19 29.647 15.383 -7.255 159 HD1 HIS 19 HD1 HIS 19 27.323 15.316 -8.180 160 HD2 HIS 19 HD2 HIS 19 27.442 16.932 -4.300 161 HE1 HIS 19 HE1 HIS 19 24.908 15.716 -7.448 162 H LEU 20 HN LEU 20 30.484 13.622 -3.297 163 HA LEU 20 HA LEU 20 29.832 11.444 -2.834 164 HB2 LEU 20 HB2 LEU 20 27.161 12.116 -4.112 165 HB3 LEU 20 HB1 LEU 20 27.497 11.050 -2.727 166 HG LEU 20 HG LEU 20 27.792 14.086 -2.796 167 HD11 LEU 20 HD11 LEU 20 25.462 13.260 -2.636 168 HD12 LEU 20 HD12 LEU 20 25.983 14.003 -1.105 169 HD13 LEU 20 HD13 LEU 20 25.919 12.231 -1.258 170 HD21 LEU 20 HD21 LEU 20 29.544 13.272 -1.375 171 HD22 LEU 20 HD22 LEU 20 28.505 11.994 -0.697 172 HD23 LEU 20 HD23 LEU 20 28.212 13.699 -0.276 Start of MODEL 37 1 H1 TRP 1 HT1 TRP 1 38.256 14.872 16.547 2 H2 TRP 1 HT2 TRP 1 37.263 14.961 17.924 3 H3 TRP 1 HT3 TRP 1 38.420 16.168 17.627 4 HA TRP 1 HA TRP 1 36.496 15.713 15.527 5 HB2 TRP 1 HB2 TRP 1 35.714 17.147 18.094 6 HB3 TRP 1 HB1 TRP 1 34.712 16.911 16.642 7 HD1 TRP 1 HD1 TRP 1 36.171 15.030 19.638 8 HE1 TRP 1 HE1 TRP 1 34.945 12.756 19.923 9 HE3 TRP 1 HE3 TRP 1 33.366 15.084 15.354 10 HZ2 TRP 1 HZ2 TRP 1 33.011 11.196 18.465 11 HZ3 TRP 1 HZ3 TRP 1 31.839 13.192 14.822 12 HH2 TRP 1 HH2 TRP 1 31.658 11.250 16.371 13 H LEU 2 HN LEU 2 37.629 16.949 14.124 14 HA LEU 2 HA LEU 2 39.040 19.341 14.933 15 HB2 LEU 2 HB2 LEU 2 38.108 18.713 12.115 16 HB3 LEU 2 HB1 LEU 2 39.552 19.618 12.630 17 HG LEU 2 HG LEU 2 39.042 16.634 13.017 18 HD11 LEU 2 HD11 LEU 2 40.986 16.407 11.492 19 HD12 LEU 2 HD12 LEU 2 41.073 18.179 11.342 20 HD13 LEU 2 HD13 LEU 2 39.659 17.300 10.713 21 HD21 LEU 2 HD21 LEU 2 41.255 18.490 13.989 22 HD22 LEU 2 HD22 LEU 2 41.509 16.738 13.805 23 HD23 LEU 2 HD23 LEU 2 40.281 17.342 14.939 24 H ARG 3 HN ARG 3 36.354 19.066 12.608 25 HA ARG 3 HA ARG 3 34.787 21.137 13.981 26 HB2 ARG 3 HB2 ARG 3 36.545 22.429 12.666 27 HB3 ARG 3 HB1 ARG 3 35.842 21.732 11.186 28 HG2 ARG 3 HG2 ARG 3 33.620 22.684 11.830 29 HG3 ARG 3 HG1 ARG 3 34.382 23.443 13.249 30 HD2 ARG 3 HD2 ARG 3 35.131 23.948 10.334 31 HD3 ARG 3 HD1 ARG 3 34.211 25.055 11.382 32 HE ARG 3 HE ARG 3 36.646 24.482 12.714 33 HH11 ARG 3 HH11 ARG 3 35.384 27.129 11.556 34 HH12 ARG 3 HH12 ARG 3 36.746 27.721 10.664 35 HH21 ARG 3 HH21 ARG 3 38.474 24.718 10.804 36 HH22 ARG 3 HH22 ARG 3 38.496 26.355 10.238 37 H ARG 4 HN ARG 4 35.443 18.778 11.566 38 HA ARG 4 HA ARG 4 32.548 18.221 11.261 39 HB2 ARG 4 HB2 ARG 4 34.376 18.861 8.905 40 HB3 ARG 4 HB1 ARG 4 32.769 18.110 8.765 41 HG2 ARG 4 HG2 ARG 4 31.844 20.127 10.036 42 HG3 ARG 4 HG1 ARG 4 33.440 20.886 9.822 43 HD2 ARG 4 HD2 ARG 4 33.234 20.616 7.362 44 HD3 ARG 4 HD1 ARG 4 31.625 19.889 7.584 45 HE ARG 4 HE ARG 4 31.554 22.384 8.899 46 HH11 ARG 4 HH11 ARG 4 29.508 22.098 6.981 47 HH12 ARG 4 HH12 ARG 4 30.005 23.051 5.624 48 HH21 ARG 4 HH21 ARG 4 33.327 23.201 6.609 49 HH22 ARG 4 HH22 ARG 4 32.168 23.675 5.413 50 H ILE 5 HN ILE 5 35.574 17.286 11.971 51 HA ILE 5 HA ILE 5 36.796 15.319 11.774 52 HB ILE 5 HB ILE 5 35.078 14.742 13.452 53 HG12 ILE 5 HG12 ILE 5 35.327 12.189 11.832 54 HG13 ILE 5 HG11 ILE 5 36.829 13.012 12.312 55 HG21 ILE 5 HG21 ILE 5 33.148 13.249 12.680 56 HG22 ILE 5 HG22 ILE 5 33.494 13.794 11.027 57 HG23 ILE 5 HG23 ILE 5 33.009 14.970 12.272 58 HD11 ILE 5 HD1 ILE 5 36.162 11.337 13.995 59 HD12 ILE 5 HD2 ILE 5 34.590 12.145 14.196 60 HD13 ILE 5 HD3 ILE 5 36.087 12.977 14.680 61 H GLY 6 HN GLY 6 35.531 16.403 9.212 62 HA2 GLY 6 HA1 GLY 6 34.977 14.060 7.588 63 HA3 GLY 6 HA2 GLY 6 35.270 15.713 7.009 64 H LYS 7 HN LYS 7 37.766 16.281 7.920 65 HA LYS 7 HA LYS 7 39.970 16.032 7.287 66 HB2 LYS 7 HB2 LYS 7 40.029 14.295 8.958 67 HB3 LYS 7 HB1 LYS 7 39.253 13.131 7.865 68 HG2 LYS 7 HG2 LYS 7 41.759 12.834 8.129 69 HG3 LYS 7 HG1 LYS 7 41.217 13.032 6.449 70 HD2 LYS 7 HD2 LYS 7 41.992 15.288 6.345 71 HD3 LYS 7 HD1 LYS 7 42.146 15.404 8.115 72 HE2 LYS 7 HE2 LYS 7 43.967 13.698 8.042 73 HE3 LYS 7 HE1 LYS 7 43.831 13.654 6.268 74 HZ1 LYS 7 HZ1 LYS 7 45.565 15.199 7.365 75 HZ2 LYS 7 HZ2 LYS 7 44.243 16.223 7.664 76 HZ3 LYS 7 HZ3 LYS 7 44.643 15.791 6.070 77 H GLY 8 HN GLY 8 38.912 12.897 5.948 78 HA2 GLY 8 HA1 GLY 8 38.952 12.107 3.776 79 HA3 GLY 8 HA2 GLY 8 38.551 13.758 3.263 80 H VAL 9 HN VAL 9 39.875 13.283 1.383 81 HA VAL 9 HA VAL 9 42.741 12.859 1.754 82 HB VAL 9 HB VAL 9 41.155 13.726 -0.707 83 HG11 VAL 9 HG11 VAL 9 43.244 12.821 -1.881 84 HG12 VAL 9 HG12 VAL 9 44.045 12.856 -0.291 85 HG13 VAL 9 HG13 VAL 9 43.455 14.367 -1.026 86 HG21 VAL 9 HG21 VAL 9 41.283 11.383 -1.349 87 HG22 VAL 9 HG22 VAL 9 40.598 11.470 0.292 88 HG23 VAL 9 HG23 VAL 9 42.302 11.007 0.061 89 H LYS 10 HN LYS 10 41.389 15.458 -0.265 90 HA LYS 10 HA LYS 10 42.276 17.619 1.433 91 HB2 LYS 10 HB2 LYS 10 44.501 16.665 0.734 92 HB3 LYS 10 HB1 LYS 10 44.066 17.026 -0.954 93 HG2 LYS 10 HG2 LYS 10 43.825 19.414 -0.408 94 HG3 LYS 10 HG1 LYS 10 44.188 19.076 1.302 95 HD2 LYS 10 HD2 LYS 10 46.425 18.242 0.680 96 HD3 LYS 10 HD1 LYS 10 46.066 18.533 -1.039 97 HE2 LYS 10 HE2 LYS 10 45.981 20.713 1.087 98 HE3 LYS 10 HE1 LYS 10 47.412 20.371 0.086 99 HZ1 LYS 10 HZ1 LYS 10 45.438 20.512 -1.745 100 HZ2 LYS 10 HZ2 LYS 10 46.467 21.799 -1.334 101 HZ3 LYS 10 HZ3 LYS 10 44.929 21.675 -0.621 102 H ILE 11 HN ILE 11 41.245 16.276 -1.609 103 HA ILE 11 HA ILE 11 39.980 18.920 -2.311 104 HB ILE 11 HB ILE 11 41.096 16.981 -4.382 105 HG12 ILE 11 HG12 ILE 11 42.387 19.493 -3.217 106 HG13 ILE 11 HG11 ILE 11 42.968 17.825 -3.003 107 HG21 ILE 11 HG21 ILE 11 39.243 18.694 -4.920 108 HG22 ILE 11 HG22 ILE 11 40.705 18.766 -5.928 109 HG23 ILE 11 HG23 ILE 11 40.465 19.951 -4.621 110 HD11 ILE 11 HD1 ILE 11 43.040 17.724 -5.605 111 HD12 ILE 11 HD2 ILE 11 44.297 18.674 -4.777 112 HD13 ILE 11 HD3 ILE 11 42.916 19.500 -5.536 113 H ILE 12 HN ILE 12 40.081 15.401 -3.004 114 HA ILE 12 HA ILE 12 37.313 15.390 -3.943 115 HB ILE 12 HB ILE 12 39.150 13.126 -3.091 116 HG12 ILE 12 HG12 ILE 12 38.542 14.039 -5.944 117 HG13 ILE 12 HG11 ILE 12 39.914 14.690 -5.023 118 HG21 ILE 12 HG21 ILE 12 36.458 13.214 -4.513 119 HG22 ILE 12 HG22 ILE 12 36.965 12.191 -3.149 120 HG23 ILE 12 HG23 ILE 12 37.569 11.853 -4.779 121 HD11 ILE 12 HD1 ILE 12 40.522 12.128 -4.652 122 HD12 ILE 12 HD2 ILE 12 40.922 12.919 -6.190 123 HD13 ILE 12 HD3 ILE 12 39.488 11.880 -6.079 124 H GLY 13 HN GLY 13 38.310 12.914 -1.638 125 HA2 GLY 13 HA1 GLY 13 35.944 13.101 -0.075 126 HA3 GLY 13 HA2 GLY 13 37.480 12.380 0.461 127 H GLY 14 HN GLY 14 38.485 15.126 -0.543 128 HA2 GLY 14 HA1 GLY 14 38.624 16.385 2.106 129 HA3 GLY 14 HA2 GLY 14 39.396 16.946 0.605 130 H ALA 15 HN ALA 15 37.274 17.180 -1.165 131 HA ALA 15 HA ALA 15 35.865 19.527 0.060 132 HB1 ALA 15 HB1 ALA 15 35.659 18.399 -2.759 133 HB2 ALA 15 HB2 ALA 15 36.822 19.653 -2.257 134 HB3 ALA 15 HB3 ALA 15 35.076 19.977 -2.186 135 H ALA 16 HN ALA 16 35.461 16.769 0.948 136 HA ALA 16 HA ALA 16 33.653 15.563 1.728 137 HB1 ALA 16 HB1 ALA 16 32.493 17.923 1.571 138 HB2 ALA 16 HB2 ALA 16 31.492 16.460 1.733 139 HB3 ALA 16 HB3 ALA 16 31.689 17.231 0.143 140 H LEU 17 HN LEU 17 35.190 14.839 -0.543 141 HA LEU 17 HA LEU 17 35.074 13.283 -2.265 142 HB2 LEU 17 HB2 LEU 17 33.313 12.347 -0.431 143 HB3 LEU 17 HB1 LEU 17 32.170 12.635 -1.755 144 HG LEU 17 HG LEU 17 34.726 10.968 -1.961 145 HD11 LEU 17 HD11 LEU 17 31.785 10.185 -1.770 146 HD12 LEU 17 HD12 LEU 17 33.051 9.861 -0.561 147 HD13 LEU 17 HD13 LEU 17 33.111 9.061 -2.149 148 HD21 LEU 17 HD21 LEU 17 34.136 11.979 -4.109 149 HD22 LEU 17 HD22 LEU 17 32.435 11.496 -3.908 150 HD23 LEU 17 HD23 LEU 17 33.691 10.258 -4.143 151 H ASP 18 HN ASP 18 34.823 15.846 -3.026 152 HA ASP 18 HA ASP 18 34.109 17.178 -4.775 153 HB2 ASP 18 HB2 ASP 18 34.660 15.068 -6.055 154 HB3 ASP 18 HB1 ASP 18 32.935 14.637 -5.966 155 H HIS 19 HN HIS 19 31.451 14.782 -4.944 156 HA HIS 19 HA HIS 19 29.581 16.602 -3.595 157 HB2 HIS 19 HB2 HIS 19 28.097 16.890 -5.546 158 HB3 HIS 19 HB1 HIS 19 29.689 17.631 -5.841 159 HD1 HIS 19 HD1 HIS 19 31.463 15.503 -6.823 160 HD2 HIS 19 HD2 HIS 19 27.397 15.620 -7.892 161 HE1 HIS 19 HE1 HIS 19 31.190 14.100 -8.941 162 H LEU 20 HN LEU 20 30.420 14.022 -2.985 163 HA LEU 20 HA LEU 20 29.602 11.893 -2.564 164 HB2 LEU 20 HB2 LEU 20 26.820 13.029 -2.993 165 HB3 LEU 20 HB1 LEU 20 27.345 11.768 -1.852 166 HG LEU 20 HG LEU 20 28.032 14.738 -1.737 167 HD11 LEU 20 HD11 LEU 20 26.443 12.914 0.124 168 HD12 LEU 20 HD12 LEU 20 25.746 14.122 -0.982 169 HD13 LEU 20 HD13 LEU 20 26.761 14.646 0.383 170 HD21 LEU 20 HD21 LEU 20 29.079 14.010 0.510 171 HD22 LEU 20 HD22 LEU 20 29.985 13.583 -0.960 172 HD23 LEU 20 HD23 LEU 20 29.016 12.347 -0.123 Start of MODEL 38 1 H1 TRP 1 HT1 TRP 1 35.787 2.922 13.283 2 H2 TRP 1 HT2 TRP 1 36.996 2.755 12.101 3 H3 TRP 1 HT3 TRP 1 35.449 2.106 11.837 4 HA TRP 1 HA TRP 1 35.272 3.963 10.617 5 HB2 TRP 1 HB2 TRP 1 34.075 5.680 11.974 6 HB3 TRP 1 HB1 TRP 1 33.507 4.027 12.306 7 HD1 TRP 1 HD1 TRP 1 33.998 3.005 14.666 8 HE1 TRP 1 HE1 TRP 1 34.853 3.983 16.918 9 HE3 TRP 1 HE3 TRP 1 35.716 7.524 12.983 10 HZ2 TRP 1 HZ2 TRP 1 36.110 6.407 17.832 11 HZ3 TRP 1 HZ3 TRP 1 36.739 9.154 14.563 12 HH2 TRP 1 HH2 TRP 1 36.938 8.600 16.984 13 H LEU 2 HN LEU 2 36.481 5.466 9.677 14 HA LEU 2 HA LEU 2 38.978 6.296 10.836 15 HB2 LEU 2 HB2 LEU 2 37.359 7.183 8.430 16 HB3 LEU 2 HB1 LEU 2 38.867 8.015 8.878 17 HG LEU 2 HG LEU 2 40.095 5.867 8.760 18 HD11 LEU 2 HD11 LEU 2 38.807 3.934 7.603 19 HD12 LEU 2 HD12 LEU 2 37.327 4.796 8.089 20 HD13 LEU 2 HD13 LEU 2 38.470 4.219 9.325 21 HD21 LEU 2 HD21 LEU 2 39.761 7.371 6.739 22 HD22 LEU 2 HD22 LEU 2 38.427 6.302 6.245 23 HD23 LEU 2 HD23 LEU 2 40.087 5.666 6.343 24 H ARG 3 HN ARG 3 36.675 8.650 9.591 25 HA ARG 3 HA ARG 3 36.082 9.876 12.148 26 HB2 ARG 3 HB2 ARG 3 38.493 10.535 11.903 27 HB3 ARG 3 HB1 ARG 3 38.078 11.340 10.371 28 HG2 ARG 3 HG2 ARG 3 36.578 12.874 11.500 29 HG3 ARG 3 HG1 ARG 3 36.741 11.981 13.033 30 HD2 ARG 3 HD2 ARG 3 39.048 13.349 11.581 31 HD3 ARG 3 HD1 ARG 3 38.154 14.061 12.946 32 HE ARG 3 HE ARG 3 40.158 11.939 13.122 33 HH11 ARG 3 HH11 ARG 3 39.078 14.255 15.017 34 HH12 ARG 3 HH12 ARG 3 38.635 13.290 16.387 35 HH21 ARG 3 HH21 ARG 3 38.835 10.284 14.668 36 HH22 ARG 3 HH22 ARG 3 38.499 11.042 16.189 37 H ARG 4 HN ARG 4 36.078 9.558 8.759 38 HA ARG 4 HA ARG 4 33.560 11.121 8.562 39 HB2 ARG 4 HB2 ARG 4 35.908 11.609 6.679 40 HB3 ARG 4 HB1 ARG 4 34.311 12.394 6.630 41 HG2 ARG 4 HG2 ARG 4 34.777 13.247 8.988 42 HG3 ARG 4 HG1 ARG 4 36.447 12.664 8.783 43 HD2 ARG 4 HD2 ARG 4 36.336 15.038 8.187 44 HD3 ARG 4 HD1 ARG 4 36.654 14.073 6.727 45 HE ARG 4 HE ARG 4 33.813 14.491 7.081 46 HH11 ARG 4 HH11 ARG 4 34.545 17.271 7.402 47 HH12 ARG 4 HH12 ARG 4 34.770 17.838 5.781 48 HH21 ARG 4 HH21 ARG 4 35.062 14.660 4.426 49 HH22 ARG 4 HH22 ARG 4 35.061 16.360 4.096 50 H ILE 5 HN ILE 5 35.404 8.412 8.048 51 HA ILE 5 HA ILE 5 35.124 6.534 6.719 52 HB ILE 5 HB ILE 5 32.370 7.655 6.048 53 HG12 ILE 5 HG12 ILE 5 32.502 7.774 8.436 54 HG13 ILE 5 HG11 ILE 5 31.624 6.276 8.081 55 HG21 ILE 5 HG21 ILE 5 32.745 5.751 4.708 56 HG22 ILE 5 HG22 ILE 5 31.879 5.087 6.108 57 HG23 ILE 5 HG23 ILE 5 33.640 4.893 5.977 58 HD11 ILE 5 HD1 ILE 5 33.196 5.684 9.769 59 HD12 ILE 5 HD2 ILE 5 34.505 6.606 8.993 60 HD13 ILE 5 HD3 ILE 5 33.926 5.093 8.262 61 H GLY 6 HN GLY 6 36.760 7.830 5.384 62 HA2 GLY 6 HA1 GLY 6 36.417 7.346 2.686 63 HA3 GLY 6 HA2 GLY 6 35.765 8.984 2.892 64 H LYS 7 HN LYS 7 37.968 8.761 5.283 65 HA LYS 7 HA LYS 7 40.044 9.773 5.540 66 HB2 LYS 7 HB2 LYS 7 40.610 7.545 4.437 67 HB3 LYS 7 HB1 LYS 7 40.740 8.433 2.900 68 HG2 LYS 7 HG2 LYS 7 42.379 10.008 4.129 69 HG3 LYS 7 HG1 LYS 7 42.414 8.785 5.419 70 HD2 LYS 7 HD2 LYS 7 43.139 8.336 2.489 71 HD3 LYS 7 HD1 LYS 7 44.279 8.422 3.852 72 HE2 LYS 7 HE2 LYS 7 42.213 6.280 3.251 73 HE3 LYS 7 HE1 LYS 7 43.964 6.095 3.493 74 HZ1 LYS 7 HZ1 LYS 7 42.648 5.399 5.434 75 HZ2 LYS 7 HZ2 LYS 7 42.047 6.981 5.592 76 HZ3 LYS 7 HZ3 LYS 7 43.705 6.675 5.798 77 H GLY 8 HN GLY 8 38.810 11.820 5.062 78 HA2 GLY 8 HA1 GLY 8 38.718 13.095 2.585 79 HA3 GLY 8 HA2 GLY 8 38.923 13.937 4.134 80 H VAL 9 HN VAL 9 40.244 13.376 1.112 81 HA VAL 9 HA VAL 9 43.068 13.472 1.855 82 HB VAL 9 HB VAL 9 41.704 14.027 -0.819 83 HG11 VAL 9 HG11 VAL 9 43.896 15.031 -0.840 84 HG12 VAL 9 HG12 VAL 9 44.050 13.468 -1.676 85 HG13 VAL 9 HG13 VAL 9 44.611 13.639 0.005 86 HG21 VAL 9 HG21 VAL 9 42.425 11.715 -1.350 87 HG22 VAL 9 HG22 VAL 9 41.329 11.734 0.052 88 HG23 VAL 9 HG23 VAL 9 43.082 11.541 0.295 89 H LYS 10 HN LYS 10 41.541 15.772 -0.399 90 HA LYS 10 HA LYS 10 41.834 18.066 1.333 91 HB2 LYS 10 HB2 LYS 10 44.262 17.451 0.861 92 HB3 LYS 10 HB1 LYS 10 43.945 17.851 -0.842 93 HG2 LYS 10 HG2 LYS 10 43.178 20.128 -0.134 94 HG3 LYS 10 HG1 LYS 10 43.610 19.731 1.543 95 HD2 LYS 10 HD2 LYS 10 45.695 19.423 -0.652 96 HD3 LYS 10 HD1 LYS 10 45.337 21.038 -0.005 97 HE2 LYS 10 HE2 LYS 10 46.043 18.662 1.770 98 HE3 LYS 10 HE1 LYS 10 47.246 19.814 1.150 99 HZ1 LYS 10 HZ1 LYS 10 46.573 20.565 3.278 100 HZ2 LYS 10 HZ2 LYS 10 44.923 20.394 2.911 101 HZ3 LYS 10 HZ3 LYS 10 45.844 21.603 2.153 102 H ILE 11 HN ILE 11 41.416 16.564 -1.796 103 HA ILE 11 HA ILE 11 39.966 19.035 -2.762 104 HB ILE 11 HB ILE 11 41.204 16.904 -4.558 105 HG12 ILE 11 HG12 ILE 11 42.851 19.046 -4.951 106 HG13 ILE 11 HG11 ILE 11 42.461 19.332 -3.243 107 HG21 ILE 11 HG21 ILE 11 40.229 19.757 -5.035 108 HG22 ILE 11 HG22 ILE 11 39.364 18.269 -5.488 109 HG23 ILE 11 HG23 ILE 11 40.911 18.672 -6.269 110 HD11 ILE 11 HD1 ILE 11 43.835 16.935 -4.506 111 HD12 ILE 11 HD2 ILE 11 43.075 16.810 -2.905 112 HD13 ILE 11 HD3 ILE 11 44.400 17.966 -3.172 113 H ILE 12 HN ILE 12 40.175 15.493 -3.385 114 HA ILE 12 HA ILE 12 37.377 15.406 -4.212 115 HB ILE 12 HB ILE 12 39.309 13.181 -3.478 116 HG12 ILE 12 HG12 ILE 12 38.607 13.961 -6.339 117 HG13 ILE 12 HG11 ILE 12 39.845 14.888 -5.466 118 HG21 ILE 12 HG21 ILE 12 37.225 12.084 -3.518 119 HG22 ILE 12 HG22 ILE 12 37.656 11.968 -5.234 120 HG23 ILE 12 HG23 ILE 12 36.524 13.224 -4.689 121 HD11 ILE 12 HD1 ILE 12 39.962 11.853 -5.584 122 HD12 ILE 12 HD2 ILE 12 41.267 13.006 -5.222 123 HD13 ILE 12 HD3 ILE 12 40.640 12.862 -6.882 124 H GLY 13 HN GLY 13 38.444 12.848 -2.063 125 HA2 GLY 13 HA1 GLY 13 36.150 12.904 -0.422 126 HA3 GLY 13 HA2 GLY 13 37.726 12.235 0.056 127 H GLY 14 HN GLY 14 38.636 15.033 -0.822 128 HA2 GLY 14 HA1 GLY 14 38.726 16.192 1.872 129 HA3 GLY 14 HA2 GLY 14 39.472 16.843 0.395 130 H ALA 15 HN ALA 15 37.356 17.094 -1.369 131 HA ALA 15 HA ALA 15 35.847 19.314 -0.030 132 HB1 ALA 15 HB1 ALA 15 36.815 19.586 -2.340 133 HB2 ALA 15 HB2 ALA 15 35.063 19.873 -2.245 134 HB3 ALA 15 HB3 ALA 15 35.675 18.341 -2.908 135 H ALA 16 HN ALA 16 35.537 16.520 0.731 136 HA ALA 16 HA ALA 16 33.771 15.214 1.441 137 HB1 ALA 16 HB1 ALA 16 31.763 16.872 -0.101 138 HB2 ALA 16 HB2 ALA 16 32.521 17.527 1.369 139 HB3 ALA 16 HB3 ALA 16 31.575 16.022 1.450 140 H LEU 17 HN LEU 17 35.352 14.641 -0.850 141 HA LEU 17 HA LEU 17 35.306 13.145 -2.628 142 HB2 LEU 17 HB2 LEU 17 33.596 12.066 -0.831 143 HB3 LEU 17 HB1 LEU 17 32.431 12.361 -2.136 144 HG LEU 17 HG LEU 17 35.054 10.819 -2.455 145 HD11 LEU 17 HD11 LEU 17 33.443 9.630 -1.007 146 HD12 LEU 17 HD12 LEU 17 33.589 8.825 -2.588 147 HD13 LEU 17 HD13 LEU 17 32.173 9.844 -2.233 148 HD21 LEU 17 HD21 LEU 17 32.660 11.275 -4.295 149 HD22 LEU 17 HD22 LEU 17 33.967 10.110 -4.613 150 HD23 LEU 17 HD23 LEU 17 34.325 11.850 -4.553 151 H ASP 18 HN ASP 18 34.888 15.756 -3.264 152 HA ASP 18 HA ASP 18 34.028 17.138 -4.915 153 HB2 ASP 18 HB2 ASP 18 33.526 14.437 -6.223 154 HB3 ASP 18 HB1 ASP 18 33.377 16.002 -7.058 155 H HIS 19 HN HIS 19 31.762 14.506 -5.655 156 HA HIS 19 HA HIS 19 29.567 15.743 -4.156 157 HB2 HIS 19 HB2 HIS 19 29.807 17.225 -6.197 158 HB3 HIS 19 HB1 HIS 19 29.422 15.804 -7.195 159 HD1 HIS 19 HD1 HIS 19 27.381 17.836 -7.601 160 HD2 HIS 19 HD2 HIS 19 27.217 15.274 -4.272 161 HE1 HIS 19 HE1 HIS 19 24.977 17.862 -6.739 162 H LEU 20 HN LEU 20 30.553 13.251 -3.873 163 HA LEU 20 HA LEU 20 30.009 10.996 -4.000 164 HB2 LEU 20 HB2 LEU 20 27.315 12.356 -4.353 165 HB3 LEU 20 HB1 LEU 20 27.458 10.584 -4.297 166 HG LEU 20 HG LEU 20 28.626 10.776 -2.090 167 HD11 LEU 20 HD11 LEU 20 29.609 12.944 -2.113 168 HD12 LEU 20 HD12 LEU 20 28.288 13.080 -0.932 169 HD13 LEU 20 HD13 LEU 20 28.083 13.732 -2.577 170 HD21 LEU 20 HD21 LEU 20 25.943 12.228 -2.152 171 HD22 LEU 20 HD22 LEU 20 26.613 11.273 -0.808 172 HD23 LEU 20 HD23 LEU 20 26.130 10.467 -2.319 Start of MODEL 39 1 H1 TRP 1 HT1 TRP 1 36.581 21.636 7.076 2 H2 TRP 1 HT2 TRP 1 36.062 22.238 8.578 3 H3 TRP 1 HT3 TRP 1 34.946 21.532 7.510 4 HA TRP 1 HA TRP 1 37.238 20.057 8.611 5 HB2 TRP 1 HB2 TRP 1 34.399 20.165 9.704 6 HB3 TRP 1 HB1 TRP 1 35.735 19.163 10.318 7 HD1 TRP 1 HD1 TRP 1 38.086 20.983 10.629 8 HE1 TRP 1 HE1 TRP 1 38.116 23.076 12.173 9 HE3 TRP 1 HE3 TRP 1 33.046 21.817 10.955 10 HZ2 TRP 1 HZ2 TRP 1 36.190 24.851 13.369 11 HZ3 TRP 1 HZ3 TRP 1 32.164 23.716 12.304 12 HH2 TRP 1 HH2 TRP 1 33.729 25.232 13.510 13 H LEU 2 HN LEU 2 36.810 17.726 8.555 14 HA LEU 2 HA LEU 2 35.792 16.939 5.967 15 HB2 LEU 2 HB2 LEU 2 36.282 15.094 8.327 16 HB3 LEU 2 HB1 LEU 2 36.429 14.729 6.591 17 HG LEU 2 HG LEU 2 38.207 16.591 8.228 18 HD11 LEU 2 HD11 LEU 2 38.617 14.152 8.504 19 HD12 LEU 2 HD12 LEU 2 39.961 14.952 7.655 20 HD13 LEU 2 HD13 LEU 2 38.778 13.988 6.740 21 HD21 LEU 2 HD21 LEU 2 39.522 16.637 5.986 22 HD22 LEU 2 HD22 LEU 2 38.045 17.621 6.077 23 HD23 LEU 2 HD23 LEU 2 38.018 16.054 5.233 24 H ARG 3 HN ARG 3 34.240 17.797 8.782 25 HA ARG 3 HA ARG 3 31.989 17.766 9.314 26 HB2 ARG 3 HB2 ARG 3 31.731 17.496 6.704 27 HB3 ARG 3 HB1 ARG 3 31.350 15.803 7.088 28 HG2 ARG 3 HG2 ARG 3 29.622 16.673 8.746 29 HG3 ARG 3 HG1 ARG 3 29.900 18.296 8.069 30 HD2 ARG 3 HD2 ARG 3 28.844 15.831 6.632 31 HD3 ARG 3 HD1 ARG 3 28.019 17.388 6.880 32 HE ARG 3 HE ARG 3 30.453 17.829 5.425 33 HH11 ARG 3 HH11 ARG 3 27.543 18.716 4.834 34 HH12 ARG 3 HH12 ARG 3 27.311 17.994 3.276 35 HH21 ARG 3 HH21 ARG 3 30.066 15.906 3.541 36 HH22 ARG 3 HH22 ARG 3 28.739 16.403 2.546 37 H ARG 4 HN ARG 4 32.846 14.502 8.033 38 HA ARG 4 HA ARG 4 31.539 13.253 10.379 39 HB2 ARG 4 HB2 ARG 4 32.155 11.134 9.279 40 HB3 ARG 4 HB1 ARG 4 31.324 12.228 8.147 41 HG2 ARG 4 HG2 ARG 4 33.599 12.995 7.341 42 HG3 ARG 4 HG1 ARG 4 34.321 11.713 8.344 43 HD2 ARG 4 HD2 ARG 4 34.005 10.976 5.984 44 HD3 ARG 4 HD1 ARG 4 33.042 10.002 7.119 45 HE ARG 4 HE ARG 4 31.532 12.257 6.070 46 HH11 ARG 4 HH11 ARG 4 30.377 9.552 6.599 47 HH12 ARG 4 HH12 ARG 4 30.122 8.941 4.999 48 HH21 ARG 4 HH21 ARG 4 32.205 11.268 3.492 49 HH22 ARG 4 HH22 ARG 4 31.157 9.912 3.240 50 H ILE 5 HN ILE 5 34.626 14.468 9.526 51 HA ILE 5 HA ILE 5 36.723 14.239 10.500 52 HB ILE 5 HB ILE 5 35.219 13.465 13.035 53 HG12 ILE 5 HG12 ILE 5 35.642 16.228 11.803 54 HG13 ILE 5 HG11 ILE 5 34.082 15.393 11.992 55 HG21 ILE 5 HG21 ILE 5 37.678 15.227 12.674 56 HG22 ILE 5 HG22 ILE 5 37.793 13.465 12.896 57 HG23 ILE 5 HG23 ILE 5 37.072 14.476 14.170 58 HD11 ILE 5 HD1 ILE 5 35.896 16.523 14.150 59 HD12 ILE 5 HD2 ILE 5 34.668 15.290 14.529 60 HD13 ILE 5 HD3 ILE 5 34.175 16.862 13.854 61 H GLY 6 HN GLY 6 36.597 12.168 9.031 62 HA2 GLY 6 HA1 GLY 6 37.903 10.075 10.557 63 HA3 GLY 6 HA2 GLY 6 36.273 9.593 10.044 64 H LYS 7 HN LYS 7 36.915 11.619 7.672 65 HA LYS 7 HA LYS 7 38.912 10.097 6.152 66 HB2 LYS 7 HB2 LYS 7 36.878 8.618 6.050 67 HB3 LYS 7 HB1 LYS 7 36.013 9.949 5.245 68 HG2 LYS 7 HG2 LYS 7 37.606 9.944 3.400 69 HG3 LYS 7 HG1 LYS 7 38.619 8.737 4.229 70 HD2 LYS 7 HD2 LYS 7 36.726 7.119 4.152 71 HD3 LYS 7 HD1 LYS 7 35.756 8.320 3.265 72 HE2 LYS 7 HE2 LYS 7 38.447 7.241 2.322 73 HE3 LYS 7 HE1 LYS 7 36.869 6.645 1.757 74 HZ1 LYS 7 HZ1 LYS 7 37.642 9.507 1.607 75 HZ2 LYS 7 HZ2 LYS 7 36.363 8.721 0.811 76 HZ3 LYS 7 HZ3 LYS 7 37.970 8.410 0.355 77 H GLY 8 HN GLY 8 39.742 11.267 4.520 78 HA2 GLY 8 HA1 GLY 8 38.607 13.040 2.786 79 HA3 GLY 8 HA2 GLY 8 38.791 14.039 4.242 80 H VAL 9 HN VAL 9 40.204 13.269 1.364 81 HA VAL 9 HA VAL 9 42.988 13.126 2.296 82 HB VAL 9 HB VAL 9 42.370 11.978 0.230 83 HG11 VAL 9 HG11 VAL 9 41.393 12.958 -1.645 84 HG12 VAL 9 HG12 VAL 9 41.986 14.585 -1.259 85 HG13 VAL 9 HG13 VAL 9 40.615 13.898 -0.354 86 HG21 VAL 9 HG21 VAL 9 44.159 14.373 -0.398 87 HG22 VAL 9 HG22 VAL 9 44.199 12.770 -1.168 88 HG23 VAL 9 HG23 VAL 9 44.672 12.949 0.537 89 H LYS 10 HN LYS 10 41.341 15.501 0.124 90 HA LYS 10 HA LYS 10 42.081 17.798 1.651 91 HB2 LYS 10 HB2 LYS 10 44.407 17.211 1.086 92 HB3 LYS 10 HB1 LYS 10 43.982 17.127 -0.638 93 HG2 LYS 10 HG2 LYS 10 43.534 19.486 -0.737 94 HG3 LYS 10 HG1 LYS 10 43.569 19.637 1.036 95 HD2 LYS 10 HD2 LYS 10 45.962 19.098 1.069 96 HD3 LYS 10 HD1 LYS 10 45.951 18.827 -0.689 97 HE2 LYS 10 HE2 LYS 10 45.284 21.461 0.696 98 HE3 LYS 10 HE1 LYS 10 46.816 21.086 -0.127 99 HZ1 LYS 10 HZ1 LYS 10 44.259 21.809 -1.241 100 HZ2 LYS 10 HZ2 LYS 10 44.945 20.441 -1.977 101 HZ3 LYS 10 HZ3 LYS 10 45.807 21.903 -1.926 102 H ILE 11 HN ILE 11 41.521 16.334 -1.533 103 HA ILE 11 HA ILE 11 39.958 18.795 -2.336 104 HB ILE 11 HB ILE 11 41.240 16.787 -4.230 105 HG12 ILE 11 HG12 ILE 11 42.351 19.429 -3.170 106 HG13 ILE 11 HG11 ILE 11 43.027 17.809 -2.880 107 HG21 ILE 11 HG21 ILE 11 40.811 18.446 -5.909 108 HG22 ILE 11 HG22 ILE 11 40.456 19.696 -4.692 109 HG23 ILE 11 HG23 ILE 11 39.318 18.352 -4.950 110 HD11 ILE 11 HD1 ILE 11 44.343 18.674 -4.657 111 HD12 ILE 11 HD2 ILE 11 42.933 19.384 -5.476 112 HD13 ILE 11 HD3 ILE 11 43.167 17.618 -5.475 113 H ILE 12 HN ILE 12 40.250 15.248 -2.903 114 HA ILE 12 HA ILE 12 37.518 15.087 -3.910 115 HB ILE 12 HB ILE 12 39.370 12.921 -2.868 116 HG12 ILE 12 HG12 ILE 12 40.510 14.123 -4.634 117 HG13 ILE 12 HG11 ILE 12 39.956 12.576 -5.305 118 HG21 ILE 12 HG21 ILE 12 37.327 11.802 -3.053 119 HG22 ILE 12 HG22 ILE 12 37.901 11.613 -4.723 120 HG23 ILE 12 HG23 ILE 12 36.715 12.879 -4.327 121 HD11 ILE 12 HD1 ILE 12 37.837 13.947 -6.063 122 HD12 ILE 12 HD2 ILE 12 39.348 14.124 -6.981 123 HD13 ILE 12 HD3 ILE 12 38.875 15.368 -5.802 124 H GLY 13 HN GLY 13 38.430 12.698 -1.503 125 HA2 GLY 13 HA1 GLY 13 36.010 12.871 -0.056 126 HA3 GLY 13 HA2 GLY 13 37.543 12.242 0.590 127 H GLY 14 HN GLY 14 38.511 14.995 -0.441 128 HA2 GLY 14 HA1 GLY 14 38.401 16.338 2.171 129 HA3 GLY 14 HA2 GLY 14 39.254 16.890 0.711 130 H ALA 15 HN ALA 15 37.261 16.972 -1.207 131 HA ALA 15 HA ALA 15 35.641 19.271 -0.158 132 HB1 ALA 15 HB1 ALA 15 35.723 18.127 -2.974 133 HB2 ALA 15 HB2 ALA 15 36.828 19.397 -2.386 134 HB3 ALA 15 HB3 ALA 15 35.078 19.701 -2.458 135 H ALA 16 HN ALA 16 35.272 16.570 0.783 136 HA ALA 16 HA ALA 16 33.470 15.265 1.390 137 HB1 ALA 16 HB1 ALA 16 32.216 17.549 1.087 138 HB2 ALA 16 HB2 ALA 16 31.271 16.042 1.146 139 HB3 ALA 16 HB3 ALA 16 31.605 16.822 -0.417 140 H LEU 17 HN LEU 17 35.246 14.526 -0.671 141 HA LEU 17 HA LEU 17 35.360 12.905 -2.333 142 HB2 LEU 17 HB2 LEU 17 33.512 11.884 -0.749 143 HB3 LEU 17 HB1 LEU 17 32.399 12.329 -2.060 144 HG LEU 17 HG LEU 17 34.210 11.083 -3.599 145 HD11 LEU 17 HD11 LEU 17 34.552 9.619 -0.944 146 HD12 LEU 17 HD12 LEU 17 35.769 10.727 -1.615 147 HD13 LEU 17 HD13 LEU 17 35.339 9.244 -2.493 148 HD21 LEU 17 HD21 LEU 17 32.948 8.959 -3.282 149 HD22 LEU 17 HD22 LEU 17 31.863 10.368 -3.337 150 HD23 LEU 17 HD23 LEU 17 32.255 9.608 -1.777 151 H ASP 18 HN ASP 18 35.279 15.372 -3.268 152 HA ASP 18 HA ASP 18 34.854 16.592 -5.180 153 HB2 ASP 18 HB2 ASP 18 35.263 14.308 -6.246 154 HB3 ASP 18 HB1 ASP 18 33.496 14.122 -6.319 155 H HIS 19 HN HIS 19 31.996 14.426 -5.328 156 HA HIS 19 HA HIS 19 30.238 16.618 -4.386 157 HB2 HIS 19 HB2 HIS 19 30.586 17.040 -6.847 158 HB3 HIS 19 HB1 HIS 19 29.879 15.438 -7.170 159 HD1 HIS 19 HD1 HIS 19 28.492 17.376 -4.282 160 HD2 HIS 19 HD2 HIS 19 27.624 16.865 -8.365 161 HE1 HIS 19 HE1 HIS 19 26.123 18.250 -4.673 162 H LEU 20 HN LEU 20 30.872 14.138 -3.243 163 HA LEU 20 HA LEU 20 29.856 12.229 -2.411 164 HB2 LEU 20 HB2 LEU 20 28.181 14.081 -1.807 165 HB3 LEU 20 HB1 LEU 20 27.230 13.535 -3.205 166 HG LEU 20 HG LEU 20 27.498 11.126 -2.084 167 HD11 LEU 20 HD11 LEU 20 29.035 11.791 -0.281 168 HD12 LEU 20 HD12 LEU 20 27.478 11.297 0.418 169 HD13 LEU 20 HD13 LEU 20 27.882 13.023 0.282 170 HD21 LEU 20 HD21 LEU 20 25.651 13.317 -1.038 171 HD22 LEU 20 HD22 LEU 20 25.420 11.581 -0.727 172 HD23 LEU 20 HD23 LEU 20 25.335 12.206 -2.390 Start of MODEL 40 1 H1 TRP 1 HT1 TRP 1 46.610 10.730 15.660 2 H2 TRP 1 HT2 TRP 1 45.654 11.680 14.626 3 H3 TRP 1 HT3 TRP 1 47.304 12.033 14.826 4 HA TRP 1 HA TRP 1 46.994 10.977 12.747 5 HB2 TRP 1 HB2 TRP 1 48.434 8.940 13.145 6 HB3 TRP 1 HB1 TRP 1 49.066 10.440 13.866 7 HD1 TRP 1 HD1 TRP 1 47.880 6.988 14.731 8 HE1 TRP 1 HE1 TRP 1 47.991 6.595 17.300 9 HE3 TRP 1 HE3 TRP 1 48.766 11.798 16.245 10 HZ2 TRP 1 HZ2 TRP 1 48.408 8.181 19.667 11 HZ3 TRP 1 HZ3 TRP 1 49.016 12.335 18.664 12 HH2 TRP 1 HH2 TRP 1 48.839 10.533 20.374 13 H LEU 2 HN LEU 2 45.122 10.319 11.852 14 HA LEU 2 HA LEU 2 43.423 8.330 13.126 15 HB2 LEU 2 HB2 LEU 2 43.290 9.165 10.214 16 HB3 LEU 2 HB1 LEU 2 41.966 8.639 11.282 17 HG LEU 2 HG LEU 2 43.562 11.230 11.504 18 HD11 LEU 2 HD11 LEU 2 41.882 11.197 9.689 19 HD12 LEU 2 HD12 LEU 2 41.364 12.272 11.010 20 HD13 LEU 2 HD13 LEU 2 40.638 10.655 10.842 21 HD21 LEU 2 HD21 LEU 2 43.051 10.570 13.750 22 HD22 LEU 2 HD22 LEU 2 41.445 9.954 13.287 23 HD23 LEU 2 HD23 LEU 2 41.759 11.707 13.299 24 H ARG 3 HN ARG 3 44.845 8.246 9.852 25 HA ARG 3 HA ARG 3 46.010 5.574 10.341 26 HB2 ARG 3 HB2 ARG 3 43.566 5.167 9.776 27 HB3 ARG 3 HB1 ARG 3 43.873 5.929 8.198 28 HG2 ARG 3 HG2 ARG 3 45.521 4.240 7.626 29 HG3 ARG 3 HG1 ARG 3 45.450 3.546 9.264 30 HD2 ARG 3 HD2 ARG 3 44.110 2.196 7.693 31 HD3 ARG 3 HD1 ARG 3 43.064 2.965 8.914 32 HE ARG 3 HE ARG 3 43.422 4.142 6.161 33 HH11 ARG 3 HH11 ARG 3 41.773 5.834 7.780 34 HH12 ARG 3 HH12 ARG 3 40.168 5.219 7.563 35 HH21 ARG 3 HH21 ARG 3 41.224 2.156 6.325 36 HH22 ARG 3 HH22 ARG 3 39.857 3.137 6.741 37 H ARG 4 HN ARG 4 45.656 8.556 8.784 38 HA ARG 4 HA ARG 4 48.109 8.065 7.175 39 HB2 ARG 4 HB2 ARG 4 45.537 9.164 5.958 40 HB3 ARG 4 HB1 ARG 4 47.113 9.025 5.142 41 HG2 ARG 4 HG2 ARG 4 47.018 6.519 5.646 42 HG3 ARG 4 HG1 ARG 4 45.326 6.770 6.138 43 HD2 ARG 4 HD2 ARG 4 44.799 7.695 3.911 44 HD3 ARG 4 HD1 ARG 4 46.493 7.479 3.411 45 HE ARG 4 HE ARG 4 45.861 5.272 2.898 46 HH11 ARG 4 HH11 ARG 4 45.771 3.435 4.633 47 HH12 ARG 4 HH12 ARG 4 44.194 3.274 5.331 48 HH21 ARG 4 HH21 ARG 4 43.097 6.372 4.223 49 HH22 ARG 4 HH22 ARG 4 42.680 4.937 5.100 50 H ILE 5 HN ILE 5 46.417 9.785 9.394 51 HA ILE 5 HA ILE 5 46.628 11.921 10.256 52 HB ILE 5 HB ILE 5 49.183 12.241 8.626 53 HG12 ILE 5 HG12 ILE 5 48.736 10.618 11.175 54 HG13 ILE 5 HG11 ILE 5 49.245 9.986 9.593 55 HG21 ILE 5 HG21 ILE 5 48.591 13.046 11.504 56 HG22 ILE 5 HG22 ILE 5 48.181 14.099 10.130 57 HG23 ILE 5 HG23 ILE 5 49.875 13.648 10.428 58 HD11 ILE 5 HD1 ILE 5 50.801 11.757 11.508 59 HD12 ILE 5 HD2 ILE 5 51.251 11.624 9.789 60 HD13 ILE 5 HD3 ILE 5 51.266 10.180 10.830 61 H GLY 6 HN GLY 6 44.877 11.825 8.217 62 HA2 GLY 6 HA1 GLY 6 43.874 13.067 6.538 63 HA3 GLY 6 HA2 GLY 6 44.535 14.456 7.420 64 H LYS 7 HN LYS 7 46.555 11.997 5.882 65 HA LYS 7 HA LYS 7 47.832 14.099 4.256 66 HB2 LYS 7 HB2 LYS 7 48.301 11.110 4.572 67 HB3 LYS 7 HB1 LYS 7 49.250 12.131 3.469 68 HG2 LYS 7 HG2 LYS 7 48.956 12.964 6.377 69 HG3 LYS 7 HG1 LYS 7 50.112 11.685 5.951 70 HD2 LYS 7 HD2 LYS 7 51.169 13.232 4.287 71 HD3 LYS 7 HD1 LYS 7 50.063 14.520 4.819 72 HE2 LYS 7 HE2 LYS 7 50.938 14.155 7.181 73 HE3 LYS 7 HE1 LYS 7 52.183 13.096 6.476 74 HZ1 LYS 7 HZ1 LYS 7 51.726 15.969 5.841 75 HZ2 LYS 7 HZ2 LYS 7 52.842 14.971 5.041 76 HZ3 LYS 7 HZ3 LYS 7 53.040 15.317 6.693 77 H GLY 8 HN GLY 8 45.133 13.848 3.561 78 HA2 GLY 8 HA1 GLY 8 45.365 13.479 0.732 79 HA3 GLY 8 HA2 GLY 8 44.597 12.046 1.442 80 H VAL 9 HN VAL 9 42.755 12.591 0.153 81 HA VAL 9 HA VAL 9 40.797 13.771 -0.345 82 HB VAL 9 HB VAL 9 39.260 13.893 1.642 83 HG11 VAL 9 HG11 VAL 9 39.396 11.413 2.124 84 HG12 VAL 9 HG12 VAL 9 40.931 11.380 1.222 85 HG13 VAL 9 HG13 VAL 9 39.420 11.822 0.393 86 HG21 VAL 9 HG21 VAL 9 41.644 12.776 3.182 87 HG22 VAL 9 HG22 VAL 9 40.030 13.167 3.818 88 HG23 VAL 9 HG23 VAL 9 41.113 14.473 3.289 89 H LYS 10 HN LYS 10 42.721 15.647 -0.511 90 HA LYS 10 HA LYS 10 41.920 17.959 1.199 91 HB2 LYS 10 HB2 LYS 10 43.994 17.802 -1.025 92 HB3 LYS 10 HB1 LYS 10 43.801 19.101 0.175 93 HG2 LYS 10 HG2 LYS 10 44.361 17.564 1.994 94 HG3 LYS 10 HG1 LYS 10 44.435 16.199 0.853 95 HD2 LYS 10 HD2 LYS 10 46.306 17.248 -0.336 96 HD3 LYS 10 HD1 LYS 10 46.211 18.672 0.728 97 HE2 LYS 10 HE2 LYS 10 47.981 17.263 1.581 98 HE3 LYS 10 HE1 LYS 10 46.601 17.110 2.694 99 HZ1 LYS 10 HZ1 LYS 10 46.080 15.179 0.907 100 HZ2 LYS 10 HZ2 LYS 10 46.917 14.929 2.364 101 HZ3 LYS 10 HZ3 LYS 10 47.776 15.144 0.914 102 H ILE 11 HN ILE 11 41.225 16.523 -1.845 103 HA ILE 11 HA ILE 11 39.799 19.037 -2.722 104 HB ILE 11 HB ILE 11 41.040 16.997 -4.611 105 HG12 ILE 11 HG12 ILE 11 42.185 19.630 -3.570 106 HG13 ILE 11 HG11 ILE 11 42.859 18.004 -3.309 107 HG21 ILE 11 HG21 ILE 11 40.610 18.648 -6.301 108 HG22 ILE 11 HG22 ILE 11 40.269 19.907 -5.091 109 HG23 ILE 11 HG23 ILE 11 39.126 18.566 -5.328 110 HD11 ILE 11 HD1 ILE 11 44.147 18.877 -5.102 111 HD12 ILE 11 HD2 ILE 11 42.728 19.609 -5.884 112 HD13 ILE 11 HD3 ILE 11 42.947 17.843 -5.910 113 H ILE 12 HN ILE 12 40.043 15.475 -3.024 114 HA ILE 12 HA ILE 12 37.357 15.233 -4.131 115 HB ILE 12 HB ILE 12 39.166 13.186 -2.810 116 HG12 ILE 12 HG12 ILE 12 38.788 13.798 -5.782 117 HG13 ILE 12 HG11 ILE 12 40.142 14.406 -4.805 118 HG21 ILE 12 HG21 ILE 12 36.700 12.925 -4.594 119 HG22 ILE 12 HG22 ILE 12 36.898 12.320 -2.934 120 HG23 ILE 12 HG23 ILE 12 37.803 11.571 -4.261 121 HD11 ILE 12 HD1 ILE 12 40.434 11.795 -4.208 122 HD12 ILE 12 HD2 ILE 12 41.123 12.481 -5.696 123 HD13 ILE 12 HD3 ILE 12 39.588 11.592 -5.762 124 H GLY 13 HN GLY 13 38.294 13.221 -1.376 125 HA2 GLY 13 HA1 GLY 13 35.785 13.549 -0.047 126 HA3 GLY 13 HA2 GLY 13 37.286 12.943 0.692 127 H GLY 14 HN GLY 14 38.258 15.572 -0.707 128 HA2 GLY 14 HA1 GLY 14 38.228 17.205 1.750 129 HA3 GLY 14 HA2 GLY 14 39.086 17.557 0.233 130 H ALA 15 HN ALA 15 37.029 17.397 -1.653 131 HA ALA 15 HA ALA 15 35.538 19.897 -0.945 132 HB1 ALA 15 HB1 ALA 15 34.814 19.870 -3.276 133 HB2 ALA 15 HB2 ALA 15 35.521 18.255 -3.510 134 HB3 ALA 15 HB3 ALA 15 36.577 19.657 -3.199 135 H ALA 16 HN ALA 16 35.129 17.372 0.441 136 HA ALA 16 HA ALA 16 33.314 16.281 1.351 137 HB1 ALA 16 HB1 ALA 16 32.120 18.535 0.717 138 HB2 ALA 16 HB2 ALA 16 31.135 17.099 1.087 139 HB3 ALA 16 HB3 ALA 16 31.403 17.583 -0.604 140 H LEU 17 HN LEU 17 34.969 15.236 -0.756 141 HA LEU 17 HA LEU 17 34.944 13.447 -2.245 142 HB2 LEU 17 HB2 LEU 17 33.418 12.670 -0.148 143 HB3 LEU 17 HB1 LEU 17 32.174 12.589 -1.410 144 HG LEU 17 HG LEU 17 34.898 11.202 -1.546 145 HD11 LEU 17 HD11 LEU 17 32.126 10.029 -1.057 146 HD12 LEU 17 HD12 LEU 17 33.342 10.305 0.214 147 HD13 LEU 17 HD13 LEU 17 33.670 9.144 -1.095 148 HD21 LEU 17 HD21 LEU 17 33.794 9.975 -3.446 149 HD22 LEU 17 HD22 LEU 17 34.005 11.710 -3.770 150 HD23 LEU 17 HD23 LEU 17 32.406 11.079 -3.308 151 H ASP 18 HN ASP 18 34.271 15.834 -3.375 152 HA ASP 18 HA ASP 18 33.218 16.764 -5.221 153 HB2 ASP 18 HB2 ASP 18 32.860 13.822 -5.920 154 HB3 ASP 18 HB1 ASP 18 32.614 15.177 -7.047 155 H HIS 19 HN HIS 19 31.167 13.862 -5.235 156 HA HIS 19 HA HIS 19 28.925 15.261 -3.941 157 HB2 HIS 19 HB2 HIS 19 28.875 14.639 -6.922 158 HB3 HIS 19 HB1 HIS 19 27.437 15.036 -5.950 159 HD1 HIS 19 HD1 HIS 19 27.773 17.414 -4.481 160 HD2 HIS 19 HD2 HIS 19 29.951 16.913 -8.041 161 HE1 HIS 19 HE1 HIS 19 28.568 19.726 -5.219 162 H LEU 20 HN LEU 20 30.130 13.048 -3.032 163 HA LEU 20 HA LEU 20 29.778 10.820 -2.488 164 HB2 LEU 20 HB2 LEU 20 26.981 11.753 -3.203 165 HB3 LEU 20 HB1 LEU 20 27.281 10.100 -2.640 166 HG LEU 20 HG LEU 20 26.596 11.811 -0.855 167 HD11 LEU 20 HD11 LEU 20 27.914 10.801 0.829 168 HD12 LEU 20 HD12 LEU 20 29.324 10.615 -0.233 169 HD13 LEU 20 HD13 LEU 20 27.892 9.588 -0.468 170 HD21 LEU 20 HD21 LEU 20 29.479 12.765 -1.141 171 HD22 LEU 20 HD22 LEU 20 28.223 13.397 -0.053 172 HD23 LEU 20 HD23 LEU 20 28.081 13.639 -1.810 Start of MODEL 41 1 H1 TRP 1 HT1 TRP 1 51.553 13.062 0.916 2 H2 TRP 1 HT2 TRP 1 53.144 12.492 1.089 3 H3 TRP 1 HT3 TRP 1 52.545 13.683 2.142 4 HA TRP 1 HA TRP 1 51.264 11.055 1.939 5 HB2 TRP 1 HB2 TRP 1 53.541 11.798 3.816 6 HB3 TRP 1 HB1 TRP 1 52.666 10.250 3.758 7 HD1 TRP 1 HD1 TRP 1 52.646 9.353 0.928 8 HE1 TRP 1 HE1 TRP 1 54.777 8.932 -0.501 9 HE3 TRP 1 HE3 TRP 1 55.962 12.235 3.556 10 HZ2 TRP 1 HZ2 TRP 1 57.538 9.753 -0.477 11 HZ3 TRP 1 HZ3 TRP 1 58.338 12.401 2.835 12 HH2 TRP 1 HH2 TRP 1 59.129 11.164 0.823 13 H LEU 2 HN LEU 2 49.447 11.092 3.083 14 HA LEU 2 HA LEU 2 48.772 13.424 4.691 15 HB2 LEU 2 HB2 LEU 2 47.422 10.773 4.105 16 HB3 LEU 2 HB1 LEU 2 46.727 11.922 5.264 17 HG LEU 2 HG LEU 2 45.846 12.067 2.867 18 HD11 LEU 2 HD11 LEU 2 45.842 13.973 4.654 19 HD12 LEU 2 HD12 LEU 2 45.540 14.406 2.960 20 HD13 LEU 2 HD13 LEU 2 47.136 14.700 3.677 21 HD21 LEU 2 HD21 LEU 2 48.150 11.742 1.839 22 HD22 LEU 2 HD22 LEU 2 48.518 13.420 2.301 23 HD23 LEU 2 HD23 LEU 2 47.201 13.082 1.156 24 H ARG 3 HN ARG 3 48.218 10.118 5.771 25 HA ARG 3 HA ARG 3 50.133 10.325 7.995 26 HB2 ARG 3 HB2 ARG 3 48.117 11.664 8.761 27 HB3 ARG 3 HB1 ARG 3 47.158 10.170 8.627 28 HG2 ARG 3 HG2 ARG 3 48.586 9.046 10.258 29 HG3 ARG 3 HG1 ARG 3 49.679 10.450 10.320 30 HD2 ARG 3 HD2 ARG 3 48.066 10.387 12.240 31 HD3 ARG 3 HD1 ARG 3 47.899 11.852 11.243 32 HE ARG 3 HE ARG 3 46.087 9.986 10.173 33 HH11 ARG 3 HH11 ARG 3 46.513 12.195 12.731 34 HH12 ARG 3 HH12 ARG 3 44.953 11.920 13.431 35 HH21 ARG 3 HH21 ARG 3 44.142 9.338 11.262 36 HH22 ARG 3 HH22 ARG 3 43.611 10.302 12.600 37 H ARG 4 HN ARG 4 47.925 8.781 5.913 38 HA ARG 4 HA ARG 4 48.983 6.119 6.680 39 HB2 ARG 4 HB2 ARG 4 45.996 6.738 6.626 40 HB3 ARG 4 HB1 ARG 4 46.722 5.121 6.786 41 HG2 ARG 4 HG2 ARG 4 47.953 6.022 8.850 42 HG3 ARG 4 HG1 ARG 4 46.891 7.445 8.745 43 HD2 ARG 4 HD2 ARG 4 44.910 5.850 8.773 44 HD3 ARG 4 HD1 ARG 4 46.061 4.543 9.147 45 HE ARG 4 HE ARG 4 46.577 6.540 11.043 46 HH11 ARG 4 HH11 ARG 4 45.825 4.053 12.186 47 HH12 ARG 4 HH12 ARG 4 44.213 4.292 12.771 48 HH21 ARG 4 HH21 ARG 4 43.651 7.123 10.850 49 HH22 ARG 4 HH22 ARG 4 42.981 6.029 12.013 50 H ILE 5 HN ILE 5 48.273 8.452 4.473 51 HA ILE 5 HA ILE 5 48.012 8.459 2.169 52 HB ILE 5 HB ILE 5 49.132 5.626 2.212 53 HG12 ILE 5 HG12 ILE 5 50.604 8.292 2.456 54 HG13 ILE 5 HG11 ILE 5 50.489 7.040 3.716 55 HG21 ILE 5 HG21 ILE 5 49.639 7.908 0.259 56 HG22 ILE 5 HG22 ILE 5 48.300 6.755 0.050 57 HG23 ILE 5 HG23 ILE 5 49.980 6.175 0.039 58 HD11 ILE 5 HD1 ILE 5 51.968 6.929 1.067 59 HD12 ILE 5 HD2 ILE 5 51.534 5.442 1.944 60 HD13 ILE 5 HD3 ILE 5 52.599 6.647 2.705 61 H GLY 6 HN GLY 6 45.642 8.340 2.765 62 HA2 GLY 6 HA1 GLY 6 44.230 6.804 0.928 63 HA3 GLY 6 HA2 GLY 6 44.281 5.800 2.392 64 H LYS 7 HN LYS 7 43.950 7.399 4.462 65 HA LYS 7 HA LYS 7 41.167 8.079 4.344 66 HB2 LYS 7 HB2 LYS 7 42.440 7.430 6.411 67 HB3 LYS 7 HB1 LYS 7 43.232 9.023 6.370 68 HG2 LYS 7 HG2 LYS 7 41.113 10.165 6.635 69 HG3 LYS 7 HG1 LYS 7 40.209 8.646 6.431 70 HD2 LYS 7 HD2 LYS 7 41.222 7.748 8.497 71 HD3 LYS 7 HD1 LYS 7 42.157 9.250 8.699 72 HE2 LYS 7 HE2 LYS 7 40.131 9.303 10.108 73 HE3 LYS 7 HE1 LYS 7 40.033 10.540 8.832 74 HZ1 LYS 7 HZ1 LYS 7 37.965 9.328 8.997 75 HZ2 LYS 7 HZ2 LYS 7 38.765 7.846 8.769 76 HZ3 LYS 7 HZ3 LYS 7 38.706 8.986 7.511 77 H GLY 8 HN GLY 8 40.097 9.918 3.910 78 HA2 GLY 8 HA1 GLY 8 39.754 12.068 3.134 79 HA3 GLY 8 HA2 GLY 8 41.100 12.541 4.190 80 H VAL 9 HN VAL 9 40.792 13.995 1.978 81 HA VAL 9 HA VAL 9 43.209 13.251 0.403 82 HB VAL 9 HB VAL 9 40.566 13.940 -0.960 83 HG11 VAL 9 HG11 VAL 9 41.912 13.275 -3.008 84 HG12 VAL 9 HG12 VAL 9 43.354 13.232 -1.969 85 HG13 VAL 9 HG13 VAL 9 42.476 14.760 -2.211 86 HG21 VAL 9 HG21 VAL 9 40.406 11.675 -0.111 87 HG22 VAL 9 HG22 VAL 9 42.067 11.305 -0.637 88 HG23 VAL 9 HG23 VAL 9 40.786 11.561 -1.845 89 H LYS 10 HN LYS 10 40.875 15.490 1.646 90 HA LYS 10 HA LYS 10 41.037 17.762 2.034 91 HB2 LYS 10 HB2 LYS 10 43.562 17.158 2.294 92 HB3 LYS 10 HB1 LYS 10 43.748 17.860 0.671 93 HG2 LYS 10 HG2 LYS 10 42.463 19.917 1.628 94 HG3 LYS 10 HG1 LYS 10 42.817 19.219 3.226 95 HD2 LYS 10 HD2 LYS 10 45.229 19.240 2.721 96 HD3 LYS 10 HD1 LYS 10 44.895 19.884 1.095 97 HE2 LYS 10 HE2 LYS 10 44.043 21.286 3.662 98 HE3 LYS 10 HE1 LYS 10 45.566 21.637 2.810 99 HZ1 LYS 10 HZ1 LYS 10 43.162 22.792 2.292 100 HZ2 LYS 10 HZ2 LYS 10 43.263 21.605 1.080 101 HZ3 LYS 10 HZ3 LYS 10 44.489 22.770 1.236 102 H ILE 11 HN ILE 11 41.527 16.365 -1.084 103 HA ILE 11 HA ILE 11 40.671 18.937 -2.418 104 HB ILE 11 HB ILE 11 42.012 16.563 -3.757 105 HG12 ILE 11 HG12 ILE 11 43.287 19.052 -2.527 106 HG13 ILE 11 HG11 ILE 11 43.530 17.369 -2.002 107 HG21 ILE 11 HG21 ILE 11 40.717 18.365 -5.073 108 HG22 ILE 11 HG22 ILE 11 42.405 18.092 -5.561 109 HG23 ILE 11 HG23 ILE 11 41.985 19.503 -4.559 110 HD11 ILE 11 HD1 ILE 11 44.459 18.703 -4.567 111 HD12 ILE 11 HD2 ILE 11 44.335 16.931 -4.439 112 HD13 ILE 11 HD3 ILE 11 45.424 17.829 -3.357 113 H ILE 12 HN ILE 12 40.371 15.358 -2.519 114 HA ILE 12 HA ILE 12 37.913 15.626 -4.192 115 HB ILE 12 HB ILE 12 39.411 13.158 -3.233 116 HG12 ILE 12 HG12 ILE 12 39.539 14.591 -5.932 117 HG13 ILE 12 HG11 ILE 12 40.787 14.690 -4.671 118 HG21 ILE 12 HG21 ILE 12 37.072 12.690 -3.894 119 HG22 ILE 12 HG22 ILE 12 38.175 12.046 -5.121 120 HG23 ILE 12 HG23 ILE 12 37.308 13.570 -5.418 121 HD11 ILE 12 HD1 ILE 12 40.718 12.017 -4.843 122 HD12 ILE 12 HD2 ILE 12 41.665 12.978 -6.004 123 HD13 ILE 12 HD3 ILE 12 40.062 12.363 -6.462 124 H GLY 13 HN GLY 13 38.276 12.888 -2.019 125 HA2 GLY 13 HA1 GLY 13 35.689 13.189 -0.882 126 HA3 GLY 13 HA2 GLY 13 37.021 12.240 -0.179 127 H GLY 14 HN GLY 14 38.418 14.982 -0.660 128 HA2 GLY 14 HA1 GLY 14 38.111 15.944 2.114 129 HA3 GLY 14 HA2 GLY 14 39.273 16.510 0.895 130 H ALA 15 HN ALA 15 37.711 17.166 -1.275 131 HA ALA 15 HA ALA 15 36.392 19.617 -0.210 132 HB1 ALA 15 HB1 ALA 15 36.109 20.232 -2.531 133 HB2 ALA 15 HB2 ALA 15 36.517 18.585 -3.066 134 HB3 ALA 15 HB3 ALA 15 37.763 19.614 -2.316 135 H ALA 16 HN ALA 16 35.417 16.892 0.422 136 HA ALA 16 HA ALA 16 33.325 16.016 0.846 137 HB1 ALA 16 HB1 ALA 16 32.590 18.531 0.528 138 HB2 ALA 16 HB2 ALA 16 31.367 17.238 0.488 139 HB3 ALA 16 HB3 ALA 16 31.957 17.952 -1.031 140 H LEU 17 HN LEU 17 35.160 15.145 -1.204 141 HA LEU 17 HA LEU 17 35.166 13.808 -3.106 142 HB2 LEU 17 HB2 LEU 17 33.399 12.733 -1.311 143 HB3 LEU 17 HB1 LEU 17 32.323 12.919 -2.709 144 HG LEU 17 HG LEU 17 35.021 11.481 -2.742 145 HD11 LEU 17 HD11 LEU 17 32.189 10.358 -2.882 146 HD12 LEU 17 HD12 LEU 17 33.215 10.328 -1.428 147 HD13 LEU 17 HD13 LEU 17 33.706 9.427 -2.883 148 HD21 LEU 17 HD21 LEU 17 34.214 10.695 -4.983 149 HD22 LEU 17 HD22 LEU 17 34.458 12.457 -4.924 150 HD23 LEU 17 HD23 LEU 17 32.813 11.781 -4.829 151 H ASP 18 HN ASP 18 34.296 16.565 -3.429 152 HA ASP 18 HA ASP 18 33.306 17.930 -5.025 153 HB2 ASP 18 HB2 ASP 18 33.691 15.426 -6.711 154 HB3 ASP 18 HB1 ASP 18 33.361 17.056 -7.349 155 H HIS 19 HN HIS 19 31.633 15.639 -3.553 156 HA HIS 19 HA HIS 19 29.091 16.585 -4.571 157 HB2 HIS 19 HB2 HIS 19 29.601 15.014 -6.393 158 HB3 HIS 19 HB1 HIS 19 29.874 13.712 -5.210 159 HD1 HIS 19 HD1 HIS 19 27.868 12.391 -6.364 160 HD2 HIS 19 HD2 HIS 19 26.792 16.029 -4.547 161 HE1 HIS 19 HE1 HIS 19 25.326 12.389 -6.097 162 H LEU 20 HN LEU 20 30.858 14.008 -2.843 163 HA LEU 20 HA LEU 20 29.324 14.528 -0.419 164 HB2 LEU 20 HB2 LEU 20 28.353 12.237 -0.229 165 HB3 LEU 20 HB1 LEU 20 27.637 13.201 -1.536 166 HG LEU 20 HG LEU 20 29.656 11.962 -2.949 167 HD11 LEU 20 HD11 LEU 20 29.663 9.549 -2.267 168 HD12 LEU 20 HD12 LEU 20 28.814 9.994 -0.770 169 HD13 LEU 20 HD13 LEU 20 30.458 10.598 -1.075 170 HD21 LEU 20 HD21 LEU 20 26.906 10.798 -2.317 171 HD22 LEU 20 HD22 LEU 20 27.929 10.320 -3.693 172 HD23 LEU 20 HD23 LEU 20 27.285 11.976 -3.596 Start of MODEL 42 1 H1 TRP 1 HT1 TRP 1 27.745 17.558 13.020 2 H2 TRP 1 HT2 TRP 1 27.722 16.270 14.127 3 H3 TRP 1 HT3 TRP 1 26.769 16.205 12.723 4 HA TRP 1 HA TRP 1 29.385 15.336 13.115 5 HB2 TRP 1 HB2 TRP 1 27.554 15.446 10.686 6 HB3 TRP 1 HB1 TRP 1 29.051 14.487 10.793 7 HD1 TRP 1 HD1 TRP 1 25.432 14.509 11.824 8 HE1 TRP 1 HE1 TRP 1 24.841 12.333 13.117 9 HE3 TRP 1 HE3 TRP 1 30.158 12.660 12.495 10 HZ2 TRP 1 HZ2 TRP 1 26.255 10.107 14.275 11 HZ3 TRP 1 HZ3 TRP 1 30.514 10.509 13.697 12 HH2 TRP 1 HH2 TRP 1 28.569 9.231 14.587 13 H LEU 2 HN LEU 2 31.212 15.647 11.705 14 HA LEU 2 HA LEU 2 31.750 18.473 11.269 15 HB2 LEU 2 HB2 LEU 2 33.422 16.172 10.207 16 HB3 LEU 2 HB1 LEU 2 33.954 17.791 10.721 17 HG LEU 2 HG LEU 2 32.848 15.586 12.518 18 HD11 LEU 2 HD11 LEU 2 35.212 15.330 11.688 19 HD12 LEU 2 HD12 LEU 2 35.100 15.542 13.453 20 HD13 LEU 2 HD13 LEU 2 35.596 16.906 12.421 21 HD21 LEU 2 HD21 LEU 2 32.089 17.658 13.453 22 HD22 LEU 2 HD22 LEU 2 33.610 18.490 13.047 23 HD23 LEU 2 HD23 LEU 2 33.579 17.268 14.342 24 H ARG 3 HN ARG 3 30.220 16.045 9.456 25 HA ARG 3 HA ARG 3 29.337 16.052 7.328 26 HB2 ARG 3 HB2 ARG 3 30.439 18.846 6.882 27 HB3 ARG 3 HB1 ARG 3 29.041 18.066 6.109 28 HG2 ARG 3 HG2 ARG 3 28.041 17.904 8.510 29 HG3 ARG 3 HG1 ARG 3 29.292 19.084 8.965 30 HD2 ARG 3 HD2 ARG 3 28.453 20.545 7.048 31 HD3 ARG 3 HD1 ARG 3 27.073 19.428 6.911 32 HE ARG 3 HE ARG 3 27.271 21.505 8.839 33 HH11 ARG 3 HH11 ARG 3 27.717 19.867 11.023 34 HH12 ARG 3 HH12 ARG 3 26.219 19.068 11.360 35 HH21 ARG 3 HH21 ARG 3 24.861 19.721 8.237 36 HH22 ARG 3 HH22 ARG 3 24.602 18.983 9.783 37 H ARG 4 HN ARG 4 32.674 17.135 7.754 38 HA ARG 4 HA ARG 4 33.412 16.404 4.989 39 HB2 ARG 4 HB2 ARG 4 35.096 17.176 7.408 40 HB3 ARG 4 HB1 ARG 4 35.708 16.956 5.750 41 HG2 ARG 4 HG2 ARG 4 34.309 18.776 4.933 42 HG3 ARG 4 HG1 ARG 4 33.521 18.935 6.521 43 HD2 ARG 4 HD2 ARG 4 35.593 19.654 7.555 44 HD3 ARG 4 HD1 ARG 4 36.514 19.294 6.074 45 HE ARG 4 HE ARG 4 35.851 21.405 5.273 46 HH11 ARG 4 HH11 ARG 4 34.436 23.166 5.093 47 HH12 ARG 4 HH12 ARG 4 33.131 23.325 6.222 48 HH21 ARG 4 HH21 ARG 4 33.828 20.342 7.848 49 HH22 ARG 4 HH22 ARG 4 32.786 21.725 7.781 50 H ILE 5 HN ILE 5 33.284 14.981 8.179 51 HA ILE 5 HA ILE 5 33.779 12.847 8.920 52 HB ILE 5 HB ILE 5 33.960 12.003 5.999 53 HG12 ILE 5 HG12 ILE 5 31.492 12.411 7.751 54 HG13 ILE 5 HG11 ILE 5 31.921 13.356 6.305 55 HG21 ILE 5 HG21 ILE 5 33.310 9.847 6.820 56 HG22 ILE 5 HG22 ILE 5 32.855 10.505 8.410 57 HG23 ILE 5 HG23 ILE 5 34.568 10.418 7.938 58 HD11 ILE 5 HD1 ILE 5 31.052 10.451 6.478 59 HD12 ILE 5 HD2 ILE 5 31.927 11.070 5.055 60 HD13 ILE 5 HD3 ILE 5 30.352 11.765 5.505 61 H GLY 6 HN GLY 6 35.803 13.579 9.739 62 HA2 GLY 6 HA1 GLY 6 38.110 13.545 9.926 63 HA3 GLY 6 HA2 GLY 6 38.000 11.986 9.086 64 H LYS 7 HN LYS 7 37.314 15.324 7.974 65 HA LYS 7 HA LYS 7 38.052 16.403 6.051 66 HB2 LYS 7 HB2 LYS 7 40.689 15.157 6.936 67 HB3 LYS 7 HB1 LYS 7 40.508 16.533 5.820 68 HG2 LYS 7 HG2 LYS 7 39.607 17.943 7.528 69 HG3 LYS 7 HG1 LYS 7 39.331 16.570 8.626 70 HD2 LYS 7 HD2 LYS 7 41.339 17.917 9.267 71 HD3 LYS 7 HD1 LYS 7 41.748 16.231 8.874 72 HE2 LYS 7 HE2 LYS 7 42.659 16.825 6.757 73 HE3 LYS 7 HE1 LYS 7 41.888 18.432 6.779 74 HZ1 LYS 7 HZ1 LYS 7 43.295 18.799 8.868 75 HZ2 LYS 7 HZ2 LYS 7 44.084 18.842 7.363 76 HZ3 LYS 7 HZ3 LYS 7 44.204 17.463 8.349 77 H GLY 8 HN GLY 8 40.691 15.024 4.821 78 HA2 GLY 8 HA1 GLY 8 40.101 12.593 3.655 79 HA3 GLY 8 HA2 GLY 8 39.200 13.751 2.658 80 H VAL 9 HN VAL 9 40.539 13.084 0.881 81 HA VAL 9 HA VAL 9 43.414 13.604 1.005 82 HB VAL 9 HB VAL 9 43.432 13.045 -1.367 83 HG11 VAL 9 HG11 VAL 9 42.553 10.801 -1.237 84 HG12 VAL 9 HG12 VAL 9 41.369 11.274 0.005 85 HG13 VAL 9 HG13 VAL 9 43.105 11.238 0.397 86 HG21 VAL 9 HG21 VAL 9 41.167 12.509 -2.465 87 HG22 VAL 9 HG22 VAL 9 41.529 14.232 -2.212 88 HG23 VAL 9 HG23 VAL 9 40.416 13.387 -1.109 89 H LYS 10 HN LYS 10 41.195 15.754 1.430 90 HA LYS 10 HA LYS 10 41.193 18.052 1.185 91 HB2 LYS 10 HB2 LYS 10 43.768 17.642 1.028 92 HB3 LYS 10 HB1 LYS 10 43.554 17.921 -0.715 93 HG2 LYS 10 HG2 LYS 10 42.329 20.089 -0.071 94 HG3 LYS 10 HG1 LYS 10 42.955 19.834 1.576 95 HD2 LYS 10 HD2 LYS 10 45.279 19.660 0.558 96 HD3 LYS 10 HD1 LYS 10 44.565 20.190 -0.984 97 HE2 LYS 10 HE2 LYS 10 43.811 22.283 0.029 98 HE3 LYS 10 HE1 LYS 10 44.364 21.745 1.633 99 HZ1 LYS 10 HZ1 LYS 10 45.839 23.207 -0.059 100 HZ2 LYS 10 HZ2 LYS 10 46.367 21.644 -0.463 101 HZ3 LYS 10 HZ3 LYS 10 46.490 22.198 1.138 102 H ILE 11 HN ILE 11 41.265 15.937 -1.574 103 HA ILE 11 HA ILE 11 39.973 18.068 -3.282 104 HB ILE 11 HB ILE 11 41.121 15.416 -4.216 105 HG12 ILE 11 HG12 ILE 11 42.490 18.130 -3.916 106 HG13 ILE 11 HG11 ILE 11 42.923 16.622 -3.077 107 HG21 ILE 11 HG21 ILE 11 39.511 16.823 -5.662 108 HG22 ILE 11 HG22 ILE 11 41.084 16.436 -6.392 109 HG23 ILE 11 HG23 ILE 11 40.794 18.054 -5.712 110 HD11 ILE 11 HD1 ILE 11 43.246 15.620 -5.460 111 HD12 ILE 11 HD2 ILE 11 44.480 16.754 -4.863 112 HD13 ILE 11 HD3 ILE 11 43.247 17.312 -6.017 113 H ILE 12 HN ILE 12 39.772 14.590 -2.407 114 HA ILE 12 HA ILE 12 37.038 14.481 -3.606 115 HB ILE 12 HB ILE 12 38.740 12.285 -2.362 116 HG12 ILE 12 HG12 ILE 12 38.357 13.014 -5.306 117 HG13 ILE 12 HG11 ILE 12 39.807 13.389 -4.352 118 HG21 ILE 12 HG21 ILE 12 37.213 10.778 -3.656 119 HG22 ILE 12 HG22 ILE 12 36.285 12.200 -4.186 120 HG23 ILE 12 HG23 ILE 12 36.326 11.748 -2.469 121 HD11 ILE 12 HD1 ILE 12 40.464 11.382 -5.363 122 HD12 ILE 12 HD2 ILE 12 38.820 10.710 -5.350 123 HD13 ILE 12 HD3 ILE 12 39.772 10.762 -3.846 124 H GLY 13 HN GLY 13 37.846 12.357 -0.930 125 HA2 GLY 13 HA1 GLY 13 35.514 13.035 0.564 126 HA3 GLY 13 HA2 GLY 13 36.960 12.226 1.210 127 H GLY 14 HN GLY 14 38.199 14.736 -0.213 128 HA2 GLY 14 HA1 GLY 14 38.433 16.339 2.264 129 HA3 GLY 14 HA2 GLY 14 39.352 16.536 0.758 130 H ALA 15 HN ALA 15 37.361 16.703 -1.179 131 HA ALA 15 HA ALA 15 36.260 19.402 -0.496 132 HB1 ALA 15 HB1 ALA 15 35.876 17.818 -3.060 133 HB2 ALA 15 HB2 ALA 15 37.312 18.828 -2.745 134 HB3 ALA 15 HB3 ALA 15 35.697 19.569 -2.810 135 H ALA 16 HN ALA 16 35.430 16.947 0.874 136 HA ALA 16 HA ALA 16 33.448 16.192 1.778 137 HB1 ALA 16 HB1 ALA 16 31.442 17.363 1.494 138 HB2 ALA 16 HB2 ALA 16 31.794 17.777 -0.199 139 HB3 ALA 16 HB3 ALA 16 32.653 18.609 1.118 140 H LEU 17 HN LEU 17 34.893 14.775 -0.205 141 HA LEU 17 HA LEU 17 34.522 12.894 -1.527 142 HB2 LEU 17 HB2 LEU 17 32.454 12.808 0.231 143 HB3 LEU 17 HB1 LEU 17 31.523 13.009 -1.260 144 HG LEU 17 HG LEU 17 31.743 10.639 -0.755 145 HD11 LEU 17 HD11 LEU 17 31.780 11.246 -3.125 146 HD12 LEU 17 HD12 LEU 17 32.821 9.833 -2.840 147 HD13 LEU 17 HD13 LEU 17 33.549 11.436 -3.080 148 HD21 LEU 17 HD21 LEU 17 34.098 11.131 0.470 149 HD22 LEU 17 HD22 LEU 17 34.750 10.631 -1.107 150 HD23 LEU 17 HD23 LEU 17 33.712 9.526 -0.187 151 H ASP 18 HN ASP 18 34.656 15.515 -2.630 152 HA ASP 18 HA ASP 18 34.288 16.622 -4.628 153 HB2 ASP 18 HB2 ASP 18 35.157 14.523 -5.572 154 HB3 ASP 18 HB1 ASP 18 33.517 13.834 -5.578 155 H HIS 19 HN HIS 19 31.767 14.172 -5.213 156 HA HIS 19 HA HIS 19 29.610 16.018 -4.438 157 HB2 HIS 19 HB2 HIS 19 30.131 15.355 -7.364 158 HB3 HIS 19 HB1 HIS 19 28.613 16.046 -6.743 159 HD1 HIS 19 HD1 HIS 19 29.014 18.360 -5.224 160 HD2 HIS 19 HD2 HIS 19 31.985 17.296 -8.006 161 HE1 HIS 19 HE1 HIS 19 30.408 20.450 -5.686 162 H LEU 20 HN LEU 20 29.955 13.717 -3.248 163 HA LEU 20 HA LEU 20 28.998 11.647 -2.817 164 HB2 LEU 20 HB2 LEU 20 26.741 12.456 -4.682 165 HB3 LEU 20 HB1 LEU 20 26.668 11.440 -3.222 166 HG LEU 20 HG LEU 20 27.261 14.431 -3.320 167 HD11 LEU 20 HD11 LEU 20 24.874 13.728 -3.670 168 HD12 LEU 20 HD12 LEU 20 25.117 14.650 -2.168 169 HD13 LEU 20 HD13 LEU 20 24.932 12.881 -2.106 170 HD21 LEU 20 HD21 LEU 20 27.292 12.393 -1.055 171 HD22 LEU 20 HD22 LEU 20 27.057 14.133 -0.756 172 HD23 LEU 20 HD23 LEU 20 28.560 13.556 -1.510 Start of MODEL 43 1 H1 TRP 1 HT1 TRP 1 45.373 -2.544 1.891 2 H2 TRP 1 HT2 TRP 1 45.013 -3.578 0.591 3 H3 TRP 1 HT3 TRP 1 43.784 -2.655 1.314 4 HA TRP 1 HA TRP 1 46.125 -1.506 -0.055 5 HB2 TRP 1 HB2 TRP 1 44.405 -0.986 -1.866 6 HB3 TRP 1 HB1 TRP 1 44.897 -2.692 -1.737 7 HD1 TRP 1 HD1 TRP 1 41.927 -0.402 -1.406 8 HE1 TRP 1 HE1 TRP 1 39.785 -1.768 -0.848 9 HE3 TRP 1 HE3 TRP 1 44.096 -4.929 -0.398 10 HZ2 TRP 1 HZ2 TRP 1 39.137 -4.463 -0.071 11 HZ3 TRP 1 HZ3 TRP 1 42.696 -6.884 0.249 12 HH2 TRP 1 HH2 TRP 1 40.220 -6.655 0.414 13 H LEU 2 HN LEU 2 45.535 -0.589 2.403 14 HA LEU 2 HA LEU 2 44.792 1.273 3.574 15 HB2 LEU 2 HB2 LEU 2 45.174 2.338 0.765 16 HB3 LEU 2 HB1 LEU 2 44.626 3.407 2.079 17 HG LEU 2 HG LEU 2 46.626 2.765 3.420 18 HD11 LEU 2 HD11 LEU 2 47.166 0.571 2.654 19 HD12 LEU 2 HD12 LEU 2 48.498 1.591 2.063 20 HD13 LEU 2 HD13 LEU 2 47.205 1.083 0.950 21 HD21 LEU 2 HD21 LEU 2 46.585 4.715 1.750 22 HD22 LEU 2 HD22 LEU 2 47.478 3.654 0.633 23 HD23 LEU 2 HD23 LEU 2 48.197 4.108 2.196 24 H ARG 3 HN ARG 3 43.167 2.449 0.716 25 HA ARG 3 HA ARG 3 40.555 1.345 1.401 26 HB2 ARG 3 HB2 ARG 3 40.906 3.159 3.158 27 HB3 ARG 3 HB1 ARG 3 40.942 4.336 1.822 28 HG2 ARG 3 HG2 ARG 3 38.687 3.574 1.102 29 HG3 ARG 3 HG1 ARG 3 38.651 2.423 2.459 30 HD2 ARG 3 HD2 ARG 3 38.893 5.455 2.698 31 HD3 ARG 3 HD1 ARG 3 37.430 4.498 3.031 32 HE ARG 3 HE ARG 3 39.637 3.516 4.606 33 HH11 ARG 3 HH11 ARG 3 40.396 5.634 5.918 34 HH12 ARG 3 HH12 ARG 3 39.090 6.246 6.879 35 HH21 ARG 3 HH21 ARG 3 36.647 4.508 5.136 36 HH22 ARG 3 HH22 ARG 3 36.968 5.608 6.435 37 H ARG 4 HN ARG 4 42.791 3.234 -0.365 38 HA ARG 4 HA ARG 4 41.433 2.798 -2.858 39 HB2 ARG 4 HB2 ARG 4 40.071 4.714 -1.760 40 HB3 ARG 4 HB1 ARG 4 41.509 5.723 -2.021 41 HG2 ARG 4 HG2 ARG 4 41.399 5.389 -4.420 42 HG3 ARG 4 HG1 ARG 4 40.132 4.152 -4.247 43 HD2 ARG 4 HD2 ARG 4 38.533 5.778 -3.467 44 HD3 ARG 4 HD1 ARG 4 39.791 7.028 -3.309 45 HE ARG 4 HE ARG 4 39.680 6.081 -6.028 46 HH11 ARG 4 HH11 ARG 4 37.282 6.522 -6.812 47 HH12 ARG 4 HH12 ARG 4 36.846 8.186 -6.603 48 HH21 ARG 4 HH21 ARG 4 39.438 8.863 -4.403 49 HH22 ARG 4 HH22 ARG 4 38.067 9.511 -5.240 50 H ILE 5 HN ILE 5 44.030 3.208 -0.975 51 HA ILE 5 HA ILE 5 46.275 3.597 -1.399 52 HB ILE 5 HB ILE 5 45.610 3.436 -4.368 53 HG12 ILE 5 HG12 ILE 5 45.973 1.191 -2.329 54 HG13 ILE 5 HG11 ILE 5 44.493 1.561 -3.244 55 HG21 ILE 5 HG21 ILE 5 47.869 2.667 -4.596 56 HG22 ILE 5 HG22 ILE 5 48.041 2.412 -2.843 57 HG23 ILE 5 HG23 ILE 5 47.956 4.065 -3.499 58 HD11 ILE 5 HD1 ILE 5 45.960 1.227 -5.371 59 HD12 ILE 5 HD2 ILE 5 45.488 -0.224 -4.453 60 HD13 ILE 5 HD3 ILE 5 47.125 0.449 -4.273 61 H GLY 6 HN GLY 6 46.072 5.754 -0.587 62 HA2 GLY 6 HA1 GLY 6 46.696 7.988 -0.801 63 HA3 GLY 6 HA2 GLY 6 46.938 7.739 -2.542 64 H LYS 7 HN LYS 7 44.266 7.790 -0.139 65 HA LYS 7 HA LYS 7 42.265 8.527 -2.058 66 HB2 LYS 7 HB2 LYS 7 40.926 9.172 -0.046 67 HB3 LYS 7 HB1 LYS 7 41.651 7.552 0.082 68 HG2 LYS 7 HG2 LYS 7 43.580 8.613 1.352 69 HG3 LYS 7 HG1 LYS 7 42.642 10.126 1.378 70 HD2 LYS 7 HD2 LYS 7 40.818 9.034 2.580 71 HD3 LYS 7 HD1 LYS 7 41.636 7.458 2.455 72 HE2 LYS 7 HE2 LYS 7 41.965 8.546 4.690 73 HE3 LYS 7 HE1 LYS 7 43.496 8.265 3.826 74 HZ1 LYS 7 HZ1 LYS 7 42.008 10.835 3.698 75 HZ2 LYS 7 HZ2 LYS 7 43.598 10.524 3.187 76 HZ3 LYS 7 HZ3 LYS 7 43.220 10.527 4.844 77 H GLY 8 HN GLY 8 44.369 10.438 0.101 78 HA2 GLY 8 HA1 GLY 8 44.675 12.735 0.244 79 HA3 GLY 8 HA2 GLY 8 44.615 12.668 -1.528 80 H VAL 9 HN VAL 9 42.434 12.673 1.325 81 HA VAL 9 HA VAL 9 40.226 13.782 -0.234 82 HB VAL 9 HB VAL 9 39.144 14.067 2.031 83 HG11 VAL 9 HG11 VAL 9 40.421 11.356 1.445 84 HG12 VAL 9 HG12 VAL 9 38.909 11.975 0.737 85 HG13 VAL 9 HG13 VAL 9 38.999 11.626 2.479 86 HG21 VAL 9 HG21 VAL 9 41.731 12.764 3.005 87 HG22 VAL 9 HG22 VAL 9 40.306 13.152 3.998 88 HG23 VAL 9 HG23 VAL 9 41.279 14.463 3.287 89 H LYS 10 HN LYS 10 42.733 15.305 -0.322 90 HA LYS 10 HA LYS 10 42.267 17.711 1.319 91 HB2 LYS 10 HB2 LYS 10 44.202 17.208 -0.980 92 HB3 LYS 10 HB1 LYS 10 44.241 18.586 0.146 93 HG2 LYS 10 HG2 LYS 10 44.783 17.183 2.012 94 HG3 LYS 10 HG1 LYS 10 44.388 15.701 1.110 95 HD2 LYS 10 HD2 LYS 10 46.287 16.033 -0.379 96 HD3 LYS 10 HD1 LYS 10 46.639 17.613 0.358 97 HE2 LYS 10 HE2 LYS 10 46.652 14.980 1.891 98 HE3 LYS 10 HE1 LYS 10 48.109 15.742 1.210 99 HZ1 LYS 10 HZ1 LYS 10 47.644 17.713 2.538 100 HZ2 LYS 10 HZ2 LYS 10 47.797 16.343 3.531 101 HZ3 LYS 10 HZ3 LYS 10 46.260 16.982 3.190 102 H ILE 11 HN ILE 11 41.087 16.421 -1.586 103 HA ILE 11 HA ILE 11 39.981 19.104 -2.373 104 HB ILE 11 HB ILE 11 41.008 17.074 -4.395 105 HG12 ILE 11 HG12 ILE 11 42.389 19.551 -3.263 106 HG13 ILE 11 HG11 ILE 11 42.929 17.865 -3.088 107 HG21 ILE 11 HG21 ILE 11 40.471 20.058 -4.711 108 HG22 ILE 11 HG22 ILE 11 39.213 18.829 -4.983 109 HG23 ILE 11 HG23 ILE 11 40.679 18.839 -5.990 110 HD11 ILE 11 HD1 ILE 11 44.250 18.707 -4.871 111 HD12 ILE 11 HD2 ILE 11 42.881 19.589 -5.588 112 HD13 ILE 11 HD3 ILE 11 42.951 17.812 -5.694 113 H ILE 12 HN ILE 12 39.916 15.560 -2.645 114 HA ILE 12 HA ILE 12 37.237 15.503 -3.807 115 HB ILE 12 HB ILE 12 38.883 13.380 -2.395 116 HG12 ILE 12 HG12 ILE 12 38.511 13.872 -5.390 117 HG13 ILE 12 HG11 ILE 12 39.915 14.436 -4.457 118 HG21 ILE 12 HG21 ILE 12 36.582 12.655 -2.444 119 HG22 ILE 12 HG22 ILE 12 37.380 11.817 -3.787 120 HG23 ILE 12 HG23 ILE 12 36.362 13.240 -4.107 121 HD11 ILE 12 HD1 ILE 12 39.165 11.623 -5.273 122 HD12 ILE 12 HD2 ILE 12 40.031 11.838 -3.733 123 HD13 ILE 12 HD3 ILE 12 40.758 12.407 -5.252 124 H GLY 13 HN GLY 13 38.070 13.592 -0.935 125 HA2 GLY 13 HA1 GLY 13 35.571 14.156 0.371 126 HA3 GLY 13 HA2 GLY 13 37.025 13.463 1.131 127 H GLY 14 HN GLY 14 38.173 15.946 -0.431 128 HA2 GLY 14 HA1 GLY 14 38.316 17.694 1.948 129 HA3 GLY 14 HA2 GLY 14 39.176 17.901 0.406 130 H ALA 15 HN ALA 15 37.085 17.801 -1.437 131 HA ALA 15 HA ALA 15 35.793 20.441 -0.849 132 HB1 ALA 15 HB1 ALA 15 36.819 20.016 -3.087 133 HB2 ALA 15 HB2 ALA 15 35.078 20.366 -3.180 134 HB3 ALA 15 HB3 ALA 15 35.656 18.691 -3.339 135 H ALA 16 HN ALA 16 35.211 18.009 0.640 136 HA ALA 16 HA ALA 16 33.326 17.068 1.582 137 HB1 ALA 16 HB1 ALA 16 32.306 19.391 0.908 138 HB2 ALA 16 HB2 ALA 16 31.214 18.045 1.309 139 HB3 ALA 16 HB3 ALA 16 31.511 18.473 -0.392 140 H LEU 17 HN LEU 17 34.870 15.791 -0.422 141 HA LEU 17 HA LEU 17 34.698 13.913 -1.787 142 HB2 LEU 17 HB2 LEU 17 32.977 13.345 0.127 143 HB3 LEU 17 HB1 LEU 17 31.753 13.661 -1.120 144 HG LEU 17 HG LEU 17 33.279 12.010 -2.589 145 HD11 LEU 17 HD11 LEU 17 34.310 10.239 -1.220 146 HD12 LEU 17 HD12 LEU 17 33.862 11.104 0.268 147 HD13 LEU 17 HD13 LEU 17 35.058 11.806 -0.842 148 HD21 LEU 17 HD21 LEU 17 31.937 10.069 -1.666 149 HD22 LEU 17 HD22 LEU 17 30.962 11.508 -2.053 150 HD23 LEU 17 HD23 LEU 17 31.381 11.145 -0.362 151 H ASP 18 HN ASP 18 33.811 16.722 -2.606 152 HA ASP 18 HA ASP 18 33.052 17.736 -4.540 153 HB2 ASP 18 HB2 ASP 18 34.621 16.029 -5.541 154 HB3 ASP 18 HB1 ASP 18 33.214 14.974 -5.801 155 H HIS 19 HN HIS 19 31.592 14.520 -5.150 156 HA HIS 19 HA HIS 19 29.114 15.461 -6.029 157 HB2 HIS 19 HB2 HIS 19 29.451 12.959 -4.339 158 HB3 HIS 19 HB1 HIS 19 28.264 13.259 -5.632 159 HD1 HIS 19 HD1 HIS 19 31.513 11.740 -5.026 160 HD2 HIS 19 HD2 HIS 19 29.662 13.668 -8.274 161 HE1 HIS 19 HE1 HIS 19 32.842 11.142 -7.125 162 H LEU 20 HN LEU 20 29.773 14.227 -2.713 163 HA LEU 20 HA LEU 20 27.282 15.319 -1.706 164 HB2 LEU 20 HB2 LEU 20 28.793 13.321 -0.847 165 HB3 LEU 20 HB1 LEU 20 29.632 14.588 0.062 166 HG LEU 20 HG LEU 20 27.965 13.698 1.529 167 HD11 LEU 20 HD11 LEU 20 28.179 16.219 1.389 168 HD12 LEU 20 HD12 LEU 20 26.643 15.629 2.064 169 HD13 LEU 20 HD13 LEU 20 26.705 16.228 0.392 170 HD21 LEU 20 HD21 LEU 20 26.572 12.749 -0.507 171 HD22 LEU 20 HD22 LEU 20 25.687 14.287 -0.402 172 HD23 LEU 20 HD23 LEU 20 25.728 13.190 0.992 Start of MODEL 44 1 H1 TRP 1 HT1 TRP 1 32.544 11.550 17.569 2 H2 TRP 1 HT2 TRP 1 31.143 11.827 16.648 3 H3 TRP 1 HT3 TRP 1 32.421 12.947 16.617 4 HA TRP 1 HA TRP 1 33.853 11.197 15.685 5 HB2 TRP 1 HB2 TRP 1 32.573 9.313 14.582 6 HB3 TRP 1 HB1 TRP 1 32.631 9.234 16.359 7 HD1 TRP 1 HD1 TRP 1 30.264 9.785 13.443 8 HE1 TRP 1 HE1 TRP 1 27.806 9.820 14.287 9 HE3 TRP 1 HE3 TRP 1 31.142 9.839 18.487 10 HZ2 TRP 1 HZ2 TRP 1 26.437 9.866 16.821 11 HZ3 TRP 1 HZ3 TRP 1 29.245 9.879 20.098 12 HH2 TRP 1 HH2 TRP 1 26.895 9.891 19.271 13 H LEU 2 HN LEU 2 34.403 11.795 13.678 14 HA LEU 2 HA LEU 2 32.707 13.697 12.278 15 HB2 LEU 2 HB2 LEU 2 35.137 12.285 11.124 16 HB3 LEU 2 HB1 LEU 2 34.509 13.905 10.740 17 HG LEU 2 HG LEU 2 35.726 13.037 13.402 18 HD11 LEU 2 HD11 LEU 2 37.345 13.308 11.520 19 HD12 LEU 2 HD12 LEU 2 37.559 14.550 12.778 20 HD13 LEU 2 HD13 LEU 2 36.732 14.958 11.255 21 HD21 LEU 2 HD21 LEU 2 35.613 15.597 13.788 22 HD22 LEU 2 HD22 LEU 2 34.080 14.704 13.901 23 HD23 LEU 2 HD23 LEU 2 34.461 15.636 12.432 24 H ARG 3 HN ARG 3 32.683 10.344 12.474 25 HA ARG 3 HA ARG 3 31.366 8.802 11.355 26 HB2 ARG 3 HB2 ARG 3 29.928 10.961 10.827 27 HB3 ARG 3 HB1 ARG 3 30.616 10.799 9.199 28 HG2 ARG 3 HG2 ARG 3 28.683 9.499 8.969 29 HG3 ARG 3 HG1 ARG 3 29.854 8.251 9.450 30 HD2 ARG 3 HD2 ARG 3 29.095 8.418 11.794 31 HD3 ARG 3 HD1 ARG 3 27.977 9.730 11.355 32 HE ARG 3 HE ARG 3 27.458 6.920 11.019 33 HH11 ARG 3 HH11 ARG 3 26.009 9.834 10.689 34 HH12 ARG 3 HH12 ARG 3 25.106 9.469 9.257 35 HH21 ARG 3 HH21 ARG 3 26.783 6.498 8.638 36 HH22 ARG 3 HH22 ARG 3 25.545 7.580 8.096 37 H ARG 4 HN ARG 4 33.117 11.041 9.172 38 HA ARG 4 HA ARG 4 33.691 8.908 7.249 39 HB2 ARG 4 HB2 ARG 4 34.725 11.750 7.584 40 HB3 ARG 4 HB1 ARG 4 35.201 10.672 6.249 41 HG2 ARG 4 HG2 ARG 4 32.939 10.530 5.437 42 HG3 ARG 4 HG1 ARG 4 32.295 11.313 6.900 43 HD2 ARG 4 HD2 ARG 4 34.257 12.684 5.018 44 HD3 ARG 4 HD1 ARG 4 32.491 12.821 4.845 45 HE ARG 4 HE ARG 4 32.921 13.505 7.489 46 HH11 ARG 4 HH11 ARG 4 33.967 14.556 4.383 47 HH12 ARG 4 HH12 ARG 4 34.420 16.138 4.921 48 HH21 ARG 4 HH21 ARG 4 33.619 15.528 8.238 49 HH22 ARG 4 HH22 ARG 4 34.222 16.689 7.104 50 H ILE 5 HN ILE 5 34.920 9.799 10.276 51 HA ILE 5 HA ILE 5 36.790 9.130 11.453 52 HB ILE 5 HB ILE 5 37.386 7.164 9.203 53 HG12 ILE 5 HG12 ILE 5 35.401 6.943 11.512 54 HG13 ILE 5 HG11 ILE 5 35.008 6.958 9.777 55 HG21 ILE 5 HG21 ILE 5 37.754 6.874 12.212 56 HG22 ILE 5 HG22 ILE 5 39.013 7.563 11.159 57 HG23 ILE 5 HG23 ILE 5 38.471 5.888 10.915 58 HD11 ILE 5 HD1 ILE 5 34.981 4.655 10.352 59 HD12 ILE 5 HD2 ILE 5 36.423 4.803 11.381 60 HD13 ILE 5 HD3 ILE 5 36.581 4.886 9.608 61 H GLY 6 HN GLY 6 38.055 8.475 8.156 62 HA2 GLY 6 HA1 GLY 6 40.477 9.963 8.747 63 HA3 GLY 6 HA2 GLY 6 40.024 9.239 7.192 64 H LYS 7 HN LYS 7 37.532 11.174 8.389 65 HA LYS 7 HA LYS 7 36.701 13.221 7.712 66 HB2 LYS 7 HB2 LYS 7 38.770 13.984 8.964 67 HB3 LYS 7 HB1 LYS 7 39.599 14.084 7.394 68 HG2 LYS 7 HG2 LYS 7 37.937 15.691 6.575 69 HG3 LYS 7 HG1 LYS 7 37.013 15.542 8.090 70 HD2 LYS 7 HD2 LYS 7 39.011 16.369 9.352 71 HD3 LYS 7 HD1 LYS 7 39.858 16.607 7.805 72 HE2 LYS 7 HE2 LYS 7 37.331 18.004 8.773 73 HE3 LYS 7 HE1 LYS 7 38.913 18.740 8.416 74 HZ1 LYS 7 HZ1 LYS 7 37.929 19.140 6.444 75 HZ2 LYS 7 HZ2 LYS 7 36.805 17.875 6.600 76 HZ3 LYS 7 HZ3 LYS 7 38.395 17.546 6.099 77 H GLY 8 HN GLY 8 39.711 13.320 5.761 78 HA2 GLY 8 HA1 GLY 8 38.604 12.373 3.338 79 HA3 GLY 8 HA2 GLY 8 38.300 14.120 3.400 80 H VAL 9 HN VAL 9 39.840 13.055 1.389 81 HA VAL 9 HA VAL 9 42.639 12.957 1.947 82 HB VAL 9 HB VAL 9 41.226 13.835 -0.614 83 HG11 VAL 9 HG11 VAL 9 44.091 13.011 0.015 84 HG12 VAL 9 HG12 VAL 9 43.534 14.533 -0.719 85 HG13 VAL 9 HG13 VAL 9 43.423 13.011 -1.634 86 HG21 VAL 9 HG21 VAL 9 41.543 11.491 -1.296 87 HG22 VAL 9 HG22 VAL 9 40.607 11.559 0.217 88 HG23 VAL 9 HG23 VAL 9 42.332 11.126 0.258 89 H LYS 10 HN LYS 10 41.347 15.560 -0.116 90 HA LYS 10 HA LYS 10 42.028 17.696 1.704 91 HB2 LYS 10 HB2 LYS 10 44.331 16.855 1.155 92 HB3 LYS 10 HB1 LYS 10 44.011 17.229 -0.555 93 HG2 LYS 10 HG2 LYS 10 43.658 19.594 -0.015 94 HG3 LYS 10 HG1 LYS 10 43.853 19.251 1.722 95 HD2 LYS 10 HD2 LYS 10 46.172 18.500 1.329 96 HD3 LYS 10 HD1 LYS 10 45.985 18.805 -0.416 97 HE2 LYS 10 HE2 LYS 10 47.131 20.701 0.680 98 HE3 LYS 10 HE1 LYS 10 45.541 21.203 0.060 99 HZ1 LYS 10 HZ1 LYS 10 45.551 20.167 2.773 100 HZ2 LYS 10 HZ2 LYS 10 44.745 21.514 2.121 101 HZ3 LYS 10 HZ3 LYS 10 46.382 21.631 2.565 102 H ILE 11 HN ILE 11 41.332 16.453 -1.494 103 HA ILE 11 HA ILE 11 39.957 19.053 -2.148 104 HB ILE 11 HB ILE 11 41.417 17.364 -4.224 105 HG12 ILE 11 HG12 ILE 11 42.386 19.865 -2.762 106 HG13 ILE 11 HG11 ILE 11 43.074 18.232 -2.603 107 HG21 ILE 11 HG21 ILE 11 40.576 20.290 -4.315 108 HG22 ILE 11 HG22 ILE 11 39.495 18.973 -4.828 109 HG23 ILE 11 HG23 ILE 11 41.037 19.234 -5.671 110 HD11 ILE 11 HD1 ILE 11 44.499 19.309 -4.168 111 HD12 ILE 11 HD2 ILE 11 43.137 20.087 -5.007 112 HD13 ILE 11 HD3 ILE 11 43.410 18.336 -5.184 113 H ILE 12 HN ILE 12 40.413 15.631 -3.131 114 HA ILE 12 HA ILE 12 37.723 15.487 -4.275 115 HB ILE 12 HB ILE 12 39.689 13.313 -3.480 116 HG12 ILE 12 HG12 ILE 12 40.748 14.802 -5.077 117 HG13 ILE 12 HG11 ILE 12 40.312 13.308 -5.928 118 HG21 ILE 12 HG21 ILE 12 37.044 13.285 -4.957 119 HG22 ILE 12 HG22 ILE 12 37.725 12.096 -3.827 120 HG23 ILE 12 HG23 ILE 12 38.310 12.159 -5.504 121 HD11 ILE 12 HD1 ILE 12 39.598 14.981 -7.428 122 HD12 ILE 12 HD2 ILE 12 39.045 16.057 -6.126 123 HD13 ILE 12 HD3 ILE 12 38.101 14.609 -6.547 124 H GLY 13 HN GLY 13 38.748 12.861 -2.169 125 HA2 GLY 13 HA1 GLY 13 36.301 12.679 -0.769 126 HA3 GLY 13 HA2 GLY 13 37.865 12.077 -0.176 127 H GLY 14 HN GLY 14 38.669 14.979 -0.813 128 HA2 GLY 14 HA1 GLY 14 38.433 15.979 1.935 129 HA3 GLY 14 HA2 GLY 14 39.277 16.757 0.578 130 H ALA 15 HN ALA 15 37.330 17.002 -1.364 131 HA ALA 15 HA ALA 15 35.578 19.059 -0.072 132 HB1 ALA 15 HB1 ALA 15 35.748 18.241 -2.997 133 HB2 ALA 15 HB2 ALA 15 36.750 19.513 -2.251 134 HB3 ALA 15 HB3 ALA 15 34.984 19.698 -2.326 135 H ALA 16 HN ALA 16 35.374 16.163 0.436 136 HA ALA 16 HA ALA 16 33.601 14.763 0.931 137 HB1 ALA 16 HB1 ALA 16 31.660 16.364 -0.748 138 HB2 ALA 16 HB2 ALA 16 32.234 17.017 0.804 139 HB3 ALA 16 HB3 ALA 16 31.378 15.457 0.757 140 H LEU 17 HN LEU 17 35.442 14.364 -1.192 141 HA LEU 17 HA LEU 17 35.666 12.968 -3.037 142 HB2 LEU 17 HB2 LEU 17 33.863 11.710 -1.447 143 HB3 LEU 17 HB1 LEU 17 32.826 11.963 -2.864 144 HG LEU 17 HG LEU 17 35.575 10.622 -2.926 145 HD11 LEU 17 HD11 LEU 17 33.941 9.248 -1.715 146 HD12 LEU 17 HD12 LEU 17 34.248 8.544 -3.320 147 HD13 LEU 17 HD13 LEU 17 32.754 9.465 -3.023 148 HD21 LEU 17 HD21 LEU 17 34.810 9.928 -5.216 149 HD22 LEU 17 HD22 LEU 17 34.997 11.690 -5.060 150 HD23 LEU 17 HD23 LEU 17 33.374 10.958 -5.017 151 H ASP 18 HN ASP 18 34.982 15.626 -3.513 152 HA ASP 18 HA ASP 18 34.099 17.021 -5.147 153 HB2 ASP 18 HB2 ASP 18 35.560 15.510 -6.515 154 HB3 ASP 18 HB1 ASP 18 34.136 14.489 -6.835 155 H HIS 19 HN HIS 19 32.197 15.755 -3.366 156 HA HIS 19 HA HIS 19 29.906 15.436 -3.175 157 HB2 HIS 19 HB2 HIS 19 29.971 17.759 -4.128 158 HB3 HIS 19 HB1 HIS 19 29.781 17.052 -5.750 159 HD1 HIS 19 HD1 HIS 19 28.027 15.846 -2.574 160 HD2 HIS 19 HD2 HIS 19 27.111 17.695 -6.239 161 HE1 HIS 19 HE1 HIS 19 25.481 15.988 -2.741 162 H LEU 20 HN LEU 20 30.797 13.155 -3.905 163 HA LEU 20 HA LEU 20 28.754 12.097 -5.692 164 HB2 LEU 20 HB2 LEU 20 30.541 13.005 -7.280 165 HB3 LEU 20 HB1 LEU 20 31.640 11.790 -6.594 166 HG LEU 20 HG LEU 20 29.689 10.080 -7.172 167 HD11 LEU 20 HD11 LEU 20 28.494 10.781 -9.283 168 HD12 LEU 20 HD12 LEU 20 29.073 12.439 -9.013 169 HD13 LEU 20 HD13 LEU 20 27.970 11.678 -7.842 170 HD21 LEU 20 HD21 LEU 20 30.653 9.757 -9.433 171 HD22 LEU 20 HD22 LEU 20 31.926 10.086 -8.232 172 HD23 LEU 20 HD23 LEU 20 31.400 11.371 -9.345 Start of MODEL 45 1 H1 TRP 1 HT1 TRP 1 45.989 13.939 8.672 2 H2 TRP 1 HT2 TRP 1 46.832 13.757 10.137 3 H3 TRP 1 HT3 TRP 1 45.531 14.845 10.029 4 HA TRP 1 HA TRP 1 44.622 13.068 11.114 5 HB2 TRP 1 HB2 TRP 1 44.134 12.735 8.128 6 HB3 TRP 1 HB1 TRP 1 43.149 11.976 9.402 7 HD1 TRP 1 HD1 TRP 1 43.559 15.142 7.487 8 HE1 TRP 1 HE1 TRP 1 41.967 16.991 8.386 9 HE3 TRP 1 HE3 TRP 1 42.061 12.877 11.828 10 HZ2 TRP 1 HZ2 TRP 1 40.283 17.400 10.687 11 HZ3 TRP 1 HZ3 TRP 1 40.462 14.014 13.359 12 HH2 TRP 1 HH2 TRP 1 39.572 16.271 12.794 13 H LEU 2 HN LEU 2 44.256 10.742 11.311 14 HA LEU 2 HA LEU 2 46.741 9.292 11.166 15 HB2 LEU 2 HB2 LEU 2 43.985 8.054 11.466 16 HB3 LEU 2 HB1 LEU 2 45.537 7.457 12.100 17 HG LEU 2 HG LEU 2 44.101 10.008 12.966 18 HD11 LEU 2 HD11 LEU 2 43.856 8.787 15.119 19 HD12 LEU 2 HD12 LEU 2 44.612 7.353 14.383 20 HD13 LEU 2 HD13 LEU 2 43.039 7.936 13.787 21 HD21 LEU 2 HD21 LEU 2 46.439 10.448 13.189 22 HD22 LEU 2 HD22 LEU 2 46.792 8.780 13.698 23 HD23 LEU 2 HD23 LEU 2 45.940 9.888 14.800 24 H ARG 3 HN ARG 3 44.463 10.050 8.809 25 HA ARG 3 HA ARG 3 44.262 9.409 6.603 26 HB2 ARG 3 HB2 ARG 3 46.560 7.459 6.990 27 HB3 ARG 3 HB1 ARG 3 45.989 8.205 5.484 28 HG2 ARG 3 HG2 ARG 3 46.562 10.471 6.517 29 HG3 ARG 3 HG1 ARG 3 47.385 9.578 7.817 30 HD2 ARG 3 HD2 ARG 3 49.014 10.193 6.090 31 HD3 ARG 3 HD1 ARG 3 48.791 8.427 6.099 32 HE ARG 3 HE ARG 3 46.957 9.388 4.212 33 HH11 ARG 3 HH11 ARG 3 47.862 8.292 2.258 34 HH12 ARG 3 HH12 ARG 3 49.364 8.936 1.687 35 HH21 ARG 3 HH21 ARG 3 49.979 10.770 4.566 36 HH22 ARG 3 HH22 ARG 3 50.564 10.337 2.993 37 H ARG 4 HN ARG 4 44.533 6.913 9.076 38 HA ARG 4 HA ARG 4 43.183 4.876 7.462 39 HB2 ARG 4 HB2 ARG 4 44.779 4.303 9.284 40 HB3 ARG 4 HB1 ARG 4 43.670 5.036 10.466 41 HG2 ARG 4 HG2 ARG 4 41.930 3.419 9.924 42 HG3 ARG 4 HG1 ARG 4 42.908 2.754 8.593 43 HD2 ARG 4 HD2 ARG 4 43.119 1.296 10.549 44 HD3 ARG 4 HD1 ARG 4 44.671 2.121 10.265 45 HE ARG 4 HE ARG 4 42.979 3.585 12.128 46 HH11 ARG 4 HH11 ARG 4 45.314 4.045 13.208 47 HH12 ARG 4 HH12 ARG 4 45.784 2.706 14.201 48 HH21 ARG 4 HH21 ARG 4 43.512 0.508 12.775 49 HH22 ARG 4 HH22 ARG 4 44.764 0.704 13.956 50 H ILE 5 HN ILE 5 42.344 7.522 9.571 51 HA ILE 5 HA ILE 5 39.450 6.971 9.071 52 HB ILE 5 HB ILE 5 40.435 7.640 11.880 53 HG12 ILE 5 HG12 ILE 5 39.727 4.931 10.659 54 HG13 ILE 5 HG11 ILE 5 41.303 5.420 11.324 55 HG21 ILE 5 HG21 ILE 5 38.172 7.192 12.528 56 HG22 ILE 5 HG22 ILE 5 37.790 6.443 10.958 57 HG23 ILE 5 HG23 ILE 5 38.054 8.199 11.068 58 HD11 ILE 5 HD1 ILE 5 38.704 4.905 12.808 59 HD12 ILE 5 HD2 ILE 5 40.015 5.863 13.541 60 HD13 ILE 5 HD3 ILE 5 40.302 4.170 13.075 61 H GLY 6 HN GLY 6 40.327 8.792 7.593 62 HA2 GLY 6 HA1 GLY 6 39.199 11.239 8.501 63 HA3 GLY 6 HA2 GLY 6 40.960 11.342 8.699 64 H LYS 7 HN LYS 7 41.522 9.588 6.410 65 HA LYS 7 HA LYS 7 42.044 9.916 4.170 66 HB2 LYS 7 HB2 LYS 7 39.152 10.839 4.292 67 HB3 LYS 7 HB1 LYS 7 40.055 10.804 2.760 68 HG2 LYS 7 HG2 LYS 7 38.728 8.714 3.167 69 HG3 LYS 7 HG1 LYS 7 40.473 8.411 3.001 70 HD2 LYS 7 HD2 LYS 7 40.761 8.066 5.336 71 HD3 LYS 7 HD1 LYS 7 39.200 8.828 5.733 72 HE2 LYS 7 HE2 LYS 7 39.446 6.263 4.106 73 HE3 LYS 7 HE1 LYS 7 39.225 6.285 5.871 74 HZ1 LYS 7 HZ1 LYS 7 37.408 7.677 3.972 75 HZ2 LYS 7 HZ2 LYS 7 37.163 7.403 5.631 76 HZ3 LYS 7 HZ3 LYS 7 37.135 6.102 4.539 77 H GLY 8 HN GLY 8 39.849 12.659 4.040 78 HA2 GLY 8 HA1 GLY 8 40.247 14.904 3.674 79 HA3 GLY 8 HA2 GLY 8 41.691 14.727 4.691 80 H VAL 9 HN VAL 9 40.575 13.758 1.410 81 HA VAL 9 HA VAL 9 43.270 13.841 0.341 82 HB VAL 9 HB VAL 9 40.735 14.095 -1.333 83 HG11 VAL 9 HG11 VAL 9 42.870 14.168 -2.546 84 HG12 VAL 9 HG12 VAL 9 42.064 12.614 -2.861 85 HG13 VAL 9 HG13 VAL 9 43.424 12.695 -1.717 86 HG21 VAL 9 HG21 VAL 9 40.223 12.357 0.277 87 HG22 VAL 9 HG22 VAL 9 41.842 11.639 0.094 88 HG23 VAL 9 HG23 VAL 9 40.676 11.561 -1.249 89 H LYS 10 HN LYS 10 41.260 16.243 1.405 90 HA LYS 10 HA LYS 10 41.323 18.540 1.218 91 HB2 LYS 10 HB2 LYS 10 43.739 18.243 -0.603 92 HB3 LYS 10 HB1 LYS 10 43.268 19.651 0.369 93 HG2 LYS 10 HG2 LYS 10 43.673 18.434 2.441 94 HG3 LYS 10 HG1 LYS 10 43.995 16.932 1.544 95 HD2 LYS 10 HD2 LYS 10 45.920 18.031 0.417 96 HD3 LYS 10 HD1 LYS 10 45.619 19.506 1.366 97 HE2 LYS 10 HE2 LYS 10 47.373 18.218 2.469 98 HE3 LYS 10 HE1 LYS 10 45.901 18.142 3.466 99 HZ1 LYS 10 HZ1 LYS 10 47.319 16.032 2.165 100 HZ2 LYS 10 HZ2 LYS 10 45.684 16.048 1.700 101 HZ3 LYS 10 HZ3 LYS 10 46.102 15.946 3.344 102 H ILE 11 HN ILE 11 41.233 16.542 -1.615 103 HA ILE 11 HA ILE 11 39.999 18.802 -3.195 104 HB ILE 11 HB ILE 11 41.290 16.245 -4.210 105 HG12 ILE 11 HG12 ILE 11 43.019 17.636 -3.214 106 HG13 ILE 11 HG11 ILE 11 43.153 17.757 -4.979 107 HG21 ILE 11 HG21 ILE 11 39.907 18.594 -5.532 108 HG22 ILE 11 HG22 ILE 11 39.843 16.867 -5.934 109 HG23 ILE 11 HG23 ILE 11 41.269 17.828 -6.382 110 HD11 ILE 11 HD1 ILE 11 43.355 19.999 -4.264 111 HD12 ILE 11 HD2 ILE 11 42.113 19.815 -3.007 112 HD13 ILE 11 HD3 ILE 11 41.642 19.886 -4.719 113 H ILE 12 HN ILE 12 39.892 15.297 -2.482 114 HA ILE 12 HA ILE 12 37.152 15.149 -3.672 115 HB ILE 12 HB ILE 12 39.014 12.998 -2.600 116 HG12 ILE 12 HG12 ILE 12 38.353 13.710 -5.502 117 HG13 ILE 12 HG11 ILE 12 39.809 14.272 -4.653 118 HG21 ILE 12 HG21 ILE 12 36.262 12.936 -3.891 119 HG22 ILE 12 HG22 ILE 12 36.877 11.993 -2.515 120 HG23 ILE 12 HG23 ILE 12 37.374 11.576 -4.161 121 HD11 ILE 12 HD1 ILE 12 40.700 12.362 -5.634 122 HD12 ILE 12 HD2 ILE 12 39.140 11.516 -5.675 123 HD13 ILE 12 HD3 ILE 12 40.062 11.606 -4.157 124 H GLY 13 HN GLY 13 38.114 12.911 -1.152 125 HA2 GLY 13 HA1 GLY 13 35.800 13.361 0.426 126 HA3 GLY 13 HA2 GLY 13 37.307 12.613 1.002 127 H GLY 14 HN GLY 14 38.381 15.251 -0.266 128 HA2 GLY 14 HA1 GLY 14 38.521 16.742 2.290 129 HA3 GLY 14 HA2 GLY 14 39.422 17.075 0.797 130 H ALA 15 HN ALA 15 37.472 17.248 -1.140 131 HA ALA 15 HA ALA 15 36.156 19.804 -0.303 132 HB1 ALA 15 HB1 ALA 15 35.718 20.148 -2.608 133 HB2 ALA 15 HB2 ALA 15 35.926 18.424 -2.998 134 HB3 ALA 15 HB3 ALA 15 37.338 19.417 -2.560 135 H ALA 16 HN ALA 16 35.487 17.147 0.802 136 HA ALA 16 HA ALA 16 33.533 16.189 1.584 137 HB1 ALA 16 HB1 ALA 16 31.813 17.793 -0.319 138 HB2 ALA 16 HB2 ALA 16 32.573 18.590 1.077 139 HB3 ALA 16 HB3 ALA 16 31.455 17.230 1.331 140 H LEU 17 HN LEU 17 35.092 14.907 -0.250 141 HA LEU 17 HA LEU 17 34.982 13.167 -1.788 142 HB2 LEU 17 HB2 LEU 17 31.965 13.181 -1.393 143 HB3 LEU 17 HB1 LEU 17 32.964 11.843 -1.987 144 HG LEU 17 HG LEU 17 33.503 13.008 0.772 145 HD11 LEU 17 HD11 LEU 17 31.118 12.551 0.832 146 HD12 LEU 17 HD12 LEU 17 31.961 11.236 1.686 147 HD13 LEU 17 HD13 LEU 17 31.355 10.979 0.033 148 HD21 LEU 17 HD21 LEU 17 35.026 11.292 -0.390 149 HD22 LEU 17 HD22 LEU 17 33.679 10.142 -0.257 150 HD23 LEU 17 HD23 LEU 17 34.418 10.820 1.212 151 H ASP 18 HN ASP 18 34.228 16.136 -2.418 152 HA ASP 18 HA ASP 18 33.763 17.348 -4.332 153 HB2 ASP 18 HB2 ASP 18 35.521 15.815 -5.264 154 HB3 ASP 18 HB1 ASP 18 34.224 14.727 -5.811 155 H HIS 19 HN HIS 19 32.512 14.209 -5.517 156 HA HIS 19 HA HIS 19 29.739 14.933 -4.991 157 HB2 HIS 19 HB2 HIS 19 30.238 16.442 -6.913 158 HB3 HIS 19 HB1 HIS 19 30.696 15.019 -7.881 159 HD1 HIS 19 HD1 HIS 19 27.711 15.721 -5.544 160 HD2 HIS 19 HD2 HIS 19 28.525 14.326 -9.425 161 HE1 HIS 19 HE1 HIS 19 25.472 15.156 -6.633 162 H LEU 20 HN LEU 20 31.170 12.730 -4.245 163 HA LEU 20 HA LEU 20 29.587 10.616 -5.436 164 HB2 LEU 20 HB2 LEU 20 31.178 10.697 -7.246 165 HB3 LEU 20 HB1 LEU 20 32.548 10.784 -6.119 166 HG LEU 20 HG LEU 20 32.197 8.501 -5.390 167 HD11 LEU 20 HD11 LEU 20 29.601 8.737 -6.962 168 HD12 LEU 20 HD12 LEU 20 29.824 8.280 -5.255 169 HD13 LEU 20 HD13 LEU 20 30.304 7.154 -6.545 170 HD21 LEU 20 HD21 LEU 20 32.491 7.284 -7.521 171 HD22 LEU 20 HD22 LEU 20 33.389 8.822 -7.546 172 HD23 LEU 20 HD23 LEU 20 31.843 8.680 -8.416 Start of MODEL 46 1 H1 TRP 1 HT1 TRP 1 37.857 1.697 10.776 2 H2 TRP 1 HT2 TRP 1 36.222 2.156 10.828 3 H3 TRP 1 HT3 TRP 1 37.034 1.729 12.258 4 HA TRP 1 HA TRP 1 36.838 4.224 10.972 5 HB2 TRP 1 HB2 TRP 1 38.291 3.483 13.536 6 HB3 TRP 1 HB1 TRP 1 37.516 5.030 13.118 7 HD1 TRP 1 HD1 TRP 1 34.731 4.476 12.321 8 HE1 TRP 1 HE1 TRP 1 32.975 3.242 13.789 9 HE3 TRP 1 HE3 TRP 1 37.914 1.954 15.438 10 HZ2 TRP 1 HZ2 TRP 1 32.985 1.414 16.014 11 HZ3 TRP 1 HZ3 TRP 1 37.020 0.471 17.227 12 HH2 TRP 1 HH2 TRP 1 34.561 0.198 17.518 13 H LEU 2 HN LEU 2 38.202 4.836 9.406 14 HA LEU 2 HA LEU 2 40.932 3.870 9.253 15 HB2 LEU 2 HB2 LEU 2 39.380 6.065 7.845 16 HB3 LEU 2 HB1 LEU 2 41.104 5.795 7.521 17 HG LEU 2 HG LEU 2 39.470 4.647 5.926 18 HD11 LEU 2 HD11 LEU 2 41.183 2.578 7.357 19 HD12 LEU 2 HD12 LEU 2 41.920 3.911 6.444 20 HD13 LEU 2 HD13 LEU 2 40.851 2.756 5.621 21 HD21 LEU 2 HD21 LEU 2 37.873 3.992 7.799 22 HD22 LEU 2 HD22 LEU 2 39.032 2.718 8.247 23 HD23 LEU 2 HD23 LEU 2 38.263 2.697 6.645 24 H ARG 3 HN ARG 3 40.261 7.310 9.038 25 HA ARG 3 HA ARG 3 41.927 7.821 11.492 26 HB2 ARG 3 HB2 ARG 3 42.306 9.014 8.714 27 HB3 ARG 3 HB1 ARG 3 43.039 9.680 10.194 28 HG2 ARG 3 HG2 ARG 3 44.175 7.522 10.612 29 HG3 ARG 3 HG1 ARG 3 43.436 6.845 9.140 30 HD2 ARG 3 HD2 ARG 3 45.758 7.618 8.713 31 HD3 ARG 3 HD1 ARG 3 44.575 8.553 7.767 32 HE ARG 3 HE ARG 3 45.002 9.936 10.215 33 HH11 ARG 3 HH11 ARG 3 45.296 11.748 8.195 34 HH12 ARG 3 HH12 ARG 3 46.989 11.875 7.852 35 HH21 ARG 3 HH21 ARG 3 47.800 8.893 9.425 36 HH22 ARG 3 HH22 ARG 3 48.407 10.258 8.548 37 H ARG 4 HN ARG 4 39.351 8.577 9.304 38 HA ARG 4 HA ARG 4 38.307 10.595 11.234 39 HB2 ARG 4 HB2 ARG 4 38.447 11.191 8.253 40 HB3 ARG 4 HB1 ARG 4 37.925 12.276 9.563 41 HG2 ARG 4 HG2 ARG 4 40.261 12.091 10.534 42 HG3 ARG 4 HG1 ARG 4 40.736 11.213 9.059 43 HD2 ARG 4 HD2 ARG 4 40.005 13.150 7.683 44 HD3 ARG 4 HD1 ARG 4 39.575 14.032 9.169 45 HE ARG 4 HE ARG 4 42.207 13.868 8.084 46 HH11 ARG 4 HH11 ARG 4 42.575 12.009 10.395 47 HH12 ARG 4 HH12 ARG 4 42.996 13.096 11.676 48 HH21 ARG 4 HH21 ARG 4 41.854 15.917 10.014 49 HH22 ARG 4 HH22 ARG 4 42.587 15.309 11.461 50 H ILE 5 HN ILE 5 37.870 7.781 9.831 51 HA ILE 5 HA ILE 5 36.010 6.517 9.292 52 HB ILE 5 HB ILE 5 34.272 8.829 10.253 53 HG12 ILE 5 HG12 ILE 5 35.702 6.661 11.859 54 HG13 ILE 5 HG11 ILE 5 35.998 8.412 11.951 55 HG21 ILE 5 HG21 ILE 5 32.650 7.124 10.698 56 HG22 ILE 5 HG22 ILE 5 33.847 5.823 10.490 57 HG23 ILE 5 HG23 ILE 5 33.289 6.756 9.081 58 HD11 ILE 5 HD1 ILE 5 33.556 6.854 12.862 59 HD12 ILE 5 HD2 ILE 5 33.470 8.607 12.555 60 HD13 ILE 5 HD3 ILE 5 34.573 7.972 13.799 61 H GLY 6 HN GLY 6 34.566 9.755 8.725 62 HA2 GLY 6 HA1 GLY 6 33.617 8.926 6.114 63 HA3 GLY 6 HA2 GLY 6 33.518 10.553 6.814 64 H LYS 7 HN LYS 7 36.658 9.178 6.854 65 HA LYS 7 HA LYS 7 38.589 9.786 5.727 66 HB2 LYS 7 HB2 LYS 7 36.789 9.962 3.282 67 HB3 LYS 7 HB1 LYS 7 38.541 9.648 3.317 68 HG2 LYS 7 HG2 LYS 7 38.053 7.570 4.688 69 HG3 LYS 7 HG1 LYS 7 36.323 7.849 4.377 70 HD2 LYS 7 HD2 LYS 7 36.879 7.871 1.890 71 HD3 LYS 7 HD1 LYS 7 38.512 7.311 2.329 72 HE2 LYS 7 HE2 LYS 7 37.421 5.382 3.566 73 HE3 LYS 7 HE1 LYS 7 35.868 5.893 2.863 74 HZ1 LYS 7 HZ1 LYS 7 37.084 5.769 0.647 75 HZ2 LYS 7 HZ2 LYS 7 36.698 4.295 1.398 76 HZ3 LYS 7 HZ3 LYS 7 38.286 4.897 1.467 77 H GLY 8 HN GLY 8 39.402 11.461 3.889 78 HA2 GLY 8 HA1 GLY 8 38.166 13.906 3.441 79 HA3 GLY 8 HA2 GLY 8 38.862 14.064 5.067 80 H VAL 9 HN VAL 9 39.608 13.316 1.666 81 HA VAL 9 HA VAL 9 42.446 13.286 1.951 82 HB VAL 9 HB VAL 9 40.778 14.133 -0.461 83 HG11 VAL 9 HG11 VAL 9 43.705 13.367 -0.105 84 HG12 VAL 9 HG12 VAL 9 43.052 14.874 -0.790 85 HG13 VAL 9 HG13 VAL 9 42.886 13.344 -1.684 86 HG21 VAL 9 HG21 VAL 9 40.268 11.855 0.402 87 HG22 VAL 9 HG22 VAL 9 41.999 11.450 0.325 88 HG23 VAL 9 HG23 VAL 9 41.098 11.790 -1.172 89 H LYS 10 HN LYS 10 41.084 15.840 -0.085 90 HA LYS 10 HA LYS 10 41.714 18.024 1.691 91 HB2 LYS 10 HB2 LYS 10 44.035 17.113 1.127 92 HB3 LYS 10 HB1 LYS 10 43.729 17.622 -0.550 93 HG2 LYS 10 HG2 LYS 10 43.201 19.946 0.382 94 HG3 LYS 10 HG1 LYS 10 43.845 19.374 1.938 95 HD2 LYS 10 HD2 LYS 10 45.377 19.331 -0.702 96 HD3 LYS 10 HD1 LYS 10 45.566 20.569 0.561 97 HE2 LYS 10 HE2 LYS 10 46.057 18.568 2.163 98 HE3 LYS 10 HE1 LYS 10 46.292 17.624 0.672 99 HZ1 LYS 10 HZ1 LYS 10 47.654 20.035 0.360 100 HZ2 LYS 10 HZ2 LYS 10 48.312 18.477 0.530 101 HZ3 LYS 10 HZ3 LYS 10 48.055 19.448 1.900 102 H ILE 11 HN ILE 11 41.119 16.687 -1.492 103 HA ILE 11 HA ILE 11 39.657 19.209 -2.230 104 HB ILE 11 HB ILE 11 41.316 17.613 -4.225 105 HG12 ILE 11 HG12 ILE 11 42.047 20.162 -2.708 106 HG13 ILE 11 HG11 ILE 11 42.844 18.579 -2.554 107 HG21 ILE 11 HG21 ILE 11 39.328 19.094 -4.937 108 HG22 ILE 11 HG22 ILE 11 40.891 19.453 -5.701 109 HG23 ILE 11 HG23 ILE 11 40.293 20.480 -4.376 110 HD11 ILE 11 HD1 ILE 11 43.266 18.763 -5.119 111 HD12 ILE 11 HD2 ILE 11 44.245 19.787 -4.043 112 HD13 ILE 11 HD3 ILE 11 42.864 20.486 -4.917 113 H ILE 12 HN ILE 12 40.317 15.771 -2.971 114 HA ILE 12 HA ILE 12 37.704 15.484 -4.319 115 HB ILE 12 HB ILE 12 39.800 13.443 -3.497 116 HG12 ILE 12 HG12 ILE 12 39.274 14.637 -6.263 117 HG13 ILE 12 HG11 ILE 12 40.514 15.260 -5.153 118 HG21 ILE 12 HG21 ILE 12 37.271 13.274 -5.187 119 HG22 ILE 12 HG22 ILE 12 37.783 12.222 -3.847 120 HG23 ILE 12 HG23 ILE 12 38.600 12.116 -5.415 121 HD11 ILE 12 HD1 ILE 12 41.811 13.777 -6.407 122 HD12 ILE 12 HD2 ILE 12 40.461 12.660 -6.696 123 HD13 ILE 12 HD3 ILE 12 41.282 12.674 -5.117 124 H GLY 13 HN GLY 13 38.907 12.984 -2.131 125 HA2 GLY 13 HA1 GLY 13 36.403 12.660 -0.801 126 HA3 GLY 13 HA2 GLY 13 37.980 12.100 -0.199 127 H GLY 14 HN GLY 14 38.621 15.067 -0.870 128 HA2 GLY 14 HA1 GLY 14 38.369 16.050 1.892 129 HA3 GLY 14 HA2 GLY 14 39.183 16.856 0.533 130 H ALA 15 HN ALA 15 37.223 16.994 -1.419 131 HA ALA 15 HA ALA 15 35.396 18.999 -0.147 132 HB1 ALA 15 HB1 ALA 15 34.766 19.578 -2.405 133 HB2 ALA 15 HB2 ALA 15 35.568 18.131 -3.057 134 HB3 ALA 15 HB3 ALA 15 36.539 19.447 -2.347 135 H ALA 16 HN ALA 16 35.311 16.112 0.425 136 HA ALA 16 HA ALA 16 33.614 14.630 0.937 137 HB1 ALA 16 HB1 ALA 16 31.361 15.240 0.806 138 HB2 ALA 16 HB2 ALA 16 31.582 16.163 -0.698 139 HB3 ALA 16 HB3 ALA 16 32.159 16.828 0.848 140 H LEU 17 HN LEU 17 35.426 14.277 -1.189 141 HA LEU 17 HA LEU 17 35.674 12.881 -3.031 142 HB2 LEU 17 HB2 LEU 17 33.882 11.587 -1.478 143 HB3 LEU 17 HB1 LEU 17 32.829 11.876 -2.875 144 HG LEU 17 HG LEU 17 35.577 10.539 -3.015 145 HD11 LEU 17 HD11 LEU 17 33.929 9.169 -1.776 146 HD12 LEU 17 HD12 LEU 17 34.290 8.454 -3.366 147 HD13 LEU 17 HD13 LEU 17 32.771 9.348 -3.115 148 HD21 LEU 17 HD21 LEU 17 34.967 11.618 -5.123 149 HD22 LEU 17 HD22 LEU 17 33.327 10.929 -5.044 150 HD23 LEU 17 HD23 LEU 17 34.730 9.865 -5.295 151 H ASP 18 HN ASP 18 35.159 15.474 -3.609 152 HA ASP 18 HA ASP 18 34.327 16.888 -5.255 153 HB2 ASP 18 HB2 ASP 18 35.599 15.212 -6.626 154 HB3 ASP 18 HB1 ASP 18 34.080 14.314 -6.859 155 H HIS 19 HN HIS 19 32.416 15.623 -3.368 156 HA HIS 19 HA HIS 19 30.122 15.493 -3.071 157 HB2 HIS 19 HB2 HIS 19 30.297 17.840 -3.935 158 HB3 HIS 19 HB1 HIS 19 29.994 17.217 -5.576 159 HD1 HIS 19 HD1 HIS 19 28.316 16.165 -2.288 160 HD2 HIS 19 HD2 HIS 19 27.334 17.855 -6.011 161 HE1 HIS 19 HE1 HIS 19 25.775 16.424 -2.361 162 H LEU 20 HN LEU 20 30.614 13.178 -3.777 163 HA LEU 20 HA LEU 20 30.072 12.199 -6.350 164 HB2 LEU 20 HB2 LEU 20 30.941 10.745 -4.627 165 HB3 LEU 20 HB1 LEU 20 29.508 11.000 -3.609 166 HG LEU 20 HG LEU 20 28.096 9.781 -5.162 167 HD11 LEU 20 HD11 LEU 20 29.260 8.695 -7.217 168 HD12 LEU 20 HD12 LEU 20 30.537 9.911 -6.973 169 HD13 LEU 20 HD13 LEU 20 28.869 10.427 -7.321 170 HD21 LEU 20 HD21 LEU 20 29.558 8.481 -3.576 171 HD22 LEU 20 HD22 LEU 20 30.739 8.285 -4.892 172 HD23 LEU 20 HD23 LEU 20 29.115 7.569 -5.038 Start of MODEL 47 1 H1 TRP 1 HT1 TRP 1 39.128 23.050 14.655 2 H2 TRP 1 HT2 TRP 1 37.602 22.315 14.519 3 H3 TRP 1 HT3 TRP 1 38.178 23.324 13.278 4 HA TRP 1 HA TRP 1 38.300 20.943 12.770 5 HB2 TRP 1 HB2 TRP 1 41.015 22.293 12.967 6 HB3 TRP 1 HB1 TRP 1 40.475 21.099 11.763 7 HD1 TRP 1 HD1 TRP 1 38.627 21.915 9.978 8 HE1 TRP 1 HE1 TRP 1 38.076 24.266 9.012 9 HE3 TRP 1 HE3 TRP 1 40.955 24.802 13.507 10 HZ2 TRP 1 HZ2 TRP 1 38.593 27.012 9.704 11 HZ3 TRP 1 HZ3 TRP 1 40.913 27.286 13.335 12 HH2 TRP 1 HH2 TRP 1 39.736 28.392 11.439 13 H LEU 2 HN LEU 2 38.406 19.039 13.745 14 HA LEU 2 HA LEU 2 39.552 18.697 16.351 15 HB2 LEU 2 HB2 LEU 2 37.766 17.247 15.631 16 HB3 LEU 2 HB1 LEU 2 38.688 16.724 14.206 17 HG LEU 2 HG LEU 2 40.282 15.523 15.584 18 HD11 LEU 2 HD11 LEU 2 38.879 16.946 17.879 19 HD12 LEU 2 HD12 LEU 2 40.614 16.926 17.483 20 HD13 LEU 2 HD13 LEU 2 39.837 15.470 18.143 21 HD21 LEU 2 HD21 LEU 2 38.059 14.449 15.113 22 HD22 LEU 2 HD22 LEU 2 37.483 15.033 16.692 23 HD23 LEU 2 HD23 LEU 2 38.817 13.857 16.612 24 H ARG 3 HN ARG 3 40.494 16.777 13.523 25 HA ARG 3 HA ARG 3 43.276 17.615 13.584 26 HB2 ARG 3 HB2 ARG 3 43.121 16.153 15.652 27 HB3 ARG 3 HB1 ARG 3 42.683 14.800 14.582 28 HG2 ARG 3 HG2 ARG 3 44.795 14.996 13.378 29 HG3 ARG 3 HG1 ARG 3 45.223 16.463 14.291 30 HD2 ARG 3 HD2 ARG 3 46.372 14.464 15.210 31 HD3 ARG 3 HD1 ARG 3 45.242 15.165 16.394 32 HE ARG 3 HE ARG 3 43.864 13.154 14.898 33 HH11 ARG 3 HH11 ARG 3 43.100 12.284 17.173 34 HH12 ARG 3 HH12 ARG 3 44.315 11.298 17.916 35 HH21 ARG 3 HH21 ARG 3 46.868 12.428 15.860 36 HH22 ARG 3 HH22 ARG 3 46.448 11.379 17.173 37 H ARG 4 HN ARG 4 40.561 15.873 12.515 38 HA ARG 4 HA ARG 4 41.801 15.457 9.855 39 HB2 ARG 4 HB2 ARG 4 40.479 13.189 11.408 40 HB3 ARG 4 HB1 ARG 4 41.043 13.118 9.722 41 HG2 ARG 4 HG2 ARG 4 43.363 13.745 10.599 42 HG3 ARG 4 HG1 ARG 4 42.725 13.463 12.237 43 HD2 ARG 4 HD2 ARG 4 42.679 11.415 9.978 44 HD3 ARG 4 HD1 ARG 4 43.870 11.446 11.302 45 HE ARG 4 HE ARG 4 41.375 11.434 12.569 46 HH11 ARG 4 HH11 ARG 4 40.393 9.507 13.218 47 HH12 ARG 4 HH12 ARG 4 40.811 8.026 12.423 48 HH21 ARG 4 HH21 ARG 4 43.075 9.517 10.261 49 HH22 ARG 4 HH22 ARG 4 42.329 8.032 10.749 50 H ILE 5 HN ILE 5 39.401 16.534 11.843 51 HA ILE 5 HA ILE 5 37.250 17.285 11.454 52 HB ILE 5 HB ILE 5 37.679 16.730 8.489 53 HG12 ILE 5 HG12 ILE 5 38.584 19.108 10.176 54 HG13 ILE 5 HG11 ILE 5 39.637 17.957 9.323 55 HG21 ILE 5 HG21 ILE 5 35.392 17.426 9.455 56 HG22 ILE 5 HG22 ILE 5 36.052 18.455 8.163 57 HG23 ILE 5 HG23 ILE 5 36.157 18.981 9.861 58 HD11 ILE 5 HD1 ILE 5 39.527 19.825 7.863 59 HD12 ILE 5 HD2 ILE 5 37.786 20.056 8.145 60 HD13 ILE 5 HD3 ILE 5 38.357 18.677 7.173 61 H GLY 6 HN GLY 6 37.458 14.947 8.741 62 HA2 GLY 6 HA1 GLY 6 35.829 12.986 10.216 63 HA3 GLY 6 HA2 GLY 6 34.997 13.800 8.875 64 H LYS 7 HN LYS 7 38.455 13.145 8.892 65 HA LYS 7 HA LYS 7 39.749 11.822 7.503 66 HB2 LYS 7 HB2 LYS 7 38.470 10.025 8.773 67 HB3 LYS 7 HB1 LYS 7 37.369 9.935 7.377 68 HG2 LYS 7 HG2 LYS 7 39.295 9.435 5.892 69 HG3 LYS 7 HG1 LYS 7 40.389 9.508 7.295 70 HD2 LYS 7 HD2 LYS 7 39.209 7.634 8.356 71 HD3 LYS 7 HD1 LYS 7 38.033 7.590 7.020 72 HE2 LYS 7 HE2 LYS 7 39.860 7.080 5.425 73 HE3 LYS 7 HE1 LYS 7 41.037 7.122 6.760 74 HZ1 LYS 7 HZ1 LYS 7 38.735 5.251 6.492 75 HZ2 LYS 7 HZ2 LYS 7 39.779 5.323 7.829 76 HZ3 LYS 7 HZ3 LYS 7 40.375 4.862 6.307 77 H GLY 8 HN GLY 8 40.244 12.445 5.519 78 HA2 GLY 8 HA1 GLY 8 38.448 11.870 3.288 79 HA3 GLY 8 HA2 GLY 8 38.579 13.605 3.646 80 H VAL 9 HN VAL 9 39.916 14.571 2.287 81 HA VAL 9 HA VAL 9 42.645 13.447 1.932 82 HB VAL 9 HB VAL 9 40.815 14.040 -0.445 83 HG11 VAL 9 HG11 VAL 9 42.853 13.214 -1.736 84 HG12 VAL 9 HG12 VAL 9 43.773 13.334 -0.216 85 HG13 VAL 9 HG13 VAL 9 43.064 14.793 -0.948 86 HG21 VAL 9 HG21 VAL 9 42.025 11.486 0.695 87 HG22 VAL 9 HG22 VAL 9 41.358 11.592 -0.951 88 HG23 VAL 9 HG23 VAL 9 40.302 11.860 0.454 89 H LYS 10 HN LYS 10 41.045 15.791 -0.199 90 HA LYS 10 HA LYS 10 41.809 18.125 1.314 91 HB2 LYS 10 HB2 LYS 10 44.078 17.198 0.575 92 HB3 LYS 10 HB1 LYS 10 43.586 17.576 -1.093 93 HG2 LYS 10 HG2 LYS 10 43.090 19.961 -0.246 94 HG3 LYS 10 HG1 LYS 10 43.964 19.502 1.234 95 HD2 LYS 10 HD2 LYS 10 45.100 19.352 -1.595 96 HD3 LYS 10 HD1 LYS 10 45.451 20.637 -0.416 97 HE2 LYS 10 HE2 LYS 10 46.208 18.717 1.167 98 HE3 LYS 10 HE1 LYS 10 46.218 17.700 -0.295 99 HZ1 LYS 10 HZ1 LYS 10 48.287 19.185 0.500 100 HZ2 LYS 10 HZ2 LYS 10 47.524 20.284 -0.546 101 HZ3 LYS 10 HZ3 LYS 10 48.005 18.759 -1.117 102 H ILE 11 HN ILE 11 41.024 16.560 -1.746 103 HA ILE 11 HA ILE 11 39.439 19.006 -2.526 104 HB ILE 11 HB ILE 11 40.825 17.159 -4.515 105 HG12 ILE 11 HG12 ILE 11 41.784 19.820 -3.366 106 HG13 ILE 11 HG11 ILE 11 42.563 18.237 -3.148 107 HG21 ILE 11 HG21 ILE 11 40.265 18.846 -6.121 108 HG22 ILE 11 HG22 ILE 11 39.855 20.027 -4.853 109 HG23 ILE 11 HG23 ILE 11 38.798 18.626 -5.142 110 HD11 ILE 11 HD1 ILE 11 42.673 18.154 -5.751 111 HD12 ILE 11 HD2 ILE 11 43.797 19.245 -4.908 112 HD13 ILE 11 HD3 ILE 11 42.333 19.901 -5.678 113 H ILE 12 HN ILE 12 39.974 15.508 -3.092 114 HA ILE 12 HA ILE 12 37.268 15.121 -4.115 115 HB ILE 12 HB ILE 12 39.350 13.161 -3.091 116 HG12 ILE 12 HG12 ILE 12 38.726 13.636 -6.035 117 HG13 ILE 12 HG11 ILE 12 39.819 14.749 -5.184 118 HG21 ILE 12 HG21 ILE 12 37.405 11.842 -3.126 119 HG22 ILE 12 HG22 ILE 12 37.926 11.639 -4.809 120 HG23 ILE 12 HG23 ILE 12 36.643 12.803 -4.414 121 HD11 ILE 12 HD1 ILE 12 40.168 11.726 -5.448 122 HD12 ILE 12 HD2 ILE 12 41.220 12.790 -4.486 123 HD13 ILE 12 HD3 ILE 12 41.133 12.985 -6.251 124 H GLY 13 HN GLY 13 38.467 12.893 -1.665 125 HA2 GLY 13 HA1 GLY 13 36.046 12.844 -0.180 126 HA3 GLY 13 HA2 GLY 13 37.643 12.357 0.435 127 H GLY 14 HN GLY 14 38.325 15.167 -0.670 128 HA2 GLY 14 HA1 GLY 14 38.181 16.545 1.924 129 HA3 GLY 14 HA2 GLY 14 38.941 17.139 0.431 130 H ALA 15 HN ALA 15 36.892 17.012 -1.430 131 HA ALA 15 HA ALA 15 35.113 19.186 -0.369 132 HB1 ALA 15 HB1 ALA 15 36.222 19.379 -2.627 133 HB2 ALA 15 HB2 ALA 15 34.450 19.515 -2.665 134 HB3 ALA 15 HB3 ALA 15 35.233 18.000 -3.168 135 H ALA 16 HN ALA 16 35.017 16.423 0.569 136 HA ALA 16 HA ALA 16 33.330 15.003 1.259 137 HB1 ALA 16 HB1 ALA 16 31.074 15.597 1.076 138 HB2 ALA 16 HB2 ALA 16 31.287 16.346 -0.524 139 HB3 ALA 16 HB3 ALA 16 31.879 17.176 0.934 140 H LEU 17 HN LEU 17 35.115 14.392 -0.831 141 HA LEU 17 HA LEU 17 35.332 12.711 -2.423 142 HB2 LEU 17 HB2 LEU 17 33.319 11.774 -0.849 143 HB3 LEU 17 HB1 LEU 17 32.424 11.924 -2.375 144 HG LEU 17 HG LEU 17 35.053 10.404 -2.017 145 HD11 LEU 17 HD11 LEU 17 33.177 9.301 -0.863 146 HD12 LEU 17 HD12 LEU 17 33.619 8.392 -2.329 147 HD13 LEU 17 HD13 LEU 17 32.177 9.436 -2.329 148 HD21 LEU 17 HD21 LEU 17 33.114 10.649 -4.363 149 HD22 LEU 17 HD22 LEU 17 34.496 9.531 -4.296 150 HD23 LEU 17 HD23 LEU 17 34.773 11.288 -4.296 151 H ASP 18 HN ASP 18 34.801 15.386 -3.165 152 HA ASP 18 HA ASP 18 34.086 16.666 -4.972 153 HB2 ASP 18 HB2 ASP 18 35.689 15.050 -6.040 154 HB3 ASP 18 HB1 ASP 18 34.298 14.024 -6.466 155 H HIS 19 HN HIS 19 31.951 16.021 -3.419 156 HA HIS 19 HA HIS 19 29.643 15.772 -3.459 157 HB2 HIS 19 HB2 HIS 19 30.112 16.669 -6.328 158 HB3 HIS 19 HB1 HIS 19 28.510 16.566 -5.559 159 HD1 HIS 19 HD1 HIS 19 29.112 17.660 -2.755 160 HD2 HIS 19 HD2 HIS 19 30.631 19.393 -6.274 161 HE1 HIS 19 HE1 HIS 19 29.663 20.098 -2.226 162 H LEU 20 HN LEU 20 30.556 13.375 -3.355 163 HA LEU 20 HA LEU 20 30.225 11.158 -3.957 164 HB2 LEU 20 HB2 LEU 20 27.718 12.501 -5.022 165 HB3 LEU 20 HB1 LEU 20 27.965 10.747 -5.187 166 HG LEU 20 HG LEU 20 28.180 10.501 -2.764 167 HD11 LEU 20 HD11 LEU 20 28.043 13.541 -2.807 168 HD12 LEU 20 HD12 LEU 20 29.274 12.496 -2.056 169 HD13 LEU 20 HD13 LEU 20 27.649 12.607 -1.344 170 HD21 LEU 20 HD21 LEU 20 25.896 11.016 -2.138 171 HD22 LEU 20 HD22 LEU 20 25.894 10.604 -3.871 172 HD23 LEU 20 HD23 LEU 20 25.796 12.307 -3.361 Start of MODEL 48 1 H1 TRP 1 HT1 TRP 1 39.861 3.037 9.655 2 H2 TRP 1 HT2 TRP 1 39.373 3.454 8.082 3 H3 TRP 1 HT3 TRP 1 39.573 4.661 9.262 4 HA TRP 1 HA TRP 1 41.841 2.951 8.636 5 HB2 TRP 1 HB2 TRP 1 40.943 5.296 6.913 6 HB3 TRP 1 HB1 TRP 1 42.465 4.386 6.745 7 HD1 TRP 1 HD1 TRP 1 42.073 1.625 6.351 8 HE1 TRP 1 HE1 TRP 1 40.355 0.446 4.794 9 HE3 TRP 1 HE3 TRP 1 38.713 5.451 5.812 10 HZ2 TRP 1 HZ2 TRP 1 37.867 1.107 3.505 11 HZ3 TRP 1 HZ3 TRP 1 36.674 5.154 4.413 12 HH2 TRP 1 HH2 TRP 1 36.249 2.988 3.260 13 H LEU 2 HN LEU 2 43.826 4.408 8.611 14 HA LEU 2 HA LEU 2 43.770 5.991 11.061 15 HB2 LEU 2 HB2 LEU 2 46.027 5.905 9.028 16 HB3 LEU 2 HB1 LEU 2 46.125 6.172 10.786 17 HG LEU 2 HG LEU 2 45.285 3.580 9.407 18 HD11 LEU 2 HD11 LEU 2 47.397 2.709 10.341 19 HD12 LEU 2 HD12 LEU 2 47.760 4.306 11.038 20 HD13 LEU 2 HD13 LEU 2 47.713 4.095 9.271 21 HD21 LEU 2 HD21 LEU 2 44.070 3.694 11.466 22 HD22 LEU 2 HD22 LEU 2 45.440 4.432 12.329 23 HD23 LEU 2 HD23 LEU 2 45.510 2.722 11.840 24 H ARG 3 HN ARG 3 42.901 6.619 7.884 25 HA ARG 3 HA ARG 3 42.326 8.565 6.790 26 HB2 ARG 3 HB2 ARG 3 42.960 10.114 9.324 27 HB3 ARG 3 HB1 ARG 3 41.846 10.553 8.010 28 HG2 ARG 3 HG2 ARG 3 40.528 8.434 8.577 29 HG3 ARG 3 HG1 ARG 3 41.524 8.311 10.045 30 HD2 ARG 3 HD2 ARG 3 39.738 10.653 9.261 31 HD3 ARG 3 HD1 ARG 3 39.447 9.492 10.577 32 HE ARG 3 HE ARG 3 41.038 11.828 10.828 33 HH11 ARG 3 HH11 ARG 3 43.487 11.003 11.182 34 HH12 ARG 3 HH12 ARG 3 43.586 10.015 12.601 35 HH21 ARG 3 HH21 ARG 3 40.171 9.441 12.762 36 HH22 ARG 3 HH22 ARG 3 41.709 9.130 13.495 37 H ARG 4 HN ARG 4 45.378 8.388 8.495 38 HA ARG 4 HA ARG 4 46.550 10.623 6.941 39 HB2 ARG 4 HB2 ARG 4 47.203 10.262 9.302 40 HB3 ARG 4 HB1 ARG 4 47.811 8.643 8.882 41 HG2 ARG 4 HG2 ARG 4 49.505 9.568 7.428 42 HG3 ARG 4 HG1 ARG 4 48.799 11.198 7.550 43 HD2 ARG 4 HD2 ARG 4 50.860 10.747 9.016 44 HD3 ARG 4 HD1 ARG 4 49.433 11.407 9.851 45 HE ARG 4 HE ARG 4 49.289 8.562 9.968 46 HH11 ARG 4 HH11 ARG 4 52.003 10.429 10.592 47 HH12 ARG 4 HH12 ARG 4 52.144 9.985 12.261 48 HH21 ARG 4 HH21 ARG 4 49.110 8.309 12.347 49 HH22 ARG 4 HH22 ARG 4 50.507 8.785 13.253 50 H ILE 5 HN ILE 5 46.669 7.064 7.146 51 HA ILE 5 HA ILE 5 48.800 6.605 5.358 52 HB ILE 5 HB ILE 5 47.765 4.774 6.623 53 HG12 ILE 5 HG12 ILE 5 47.587 3.074 4.879 54 HG13 ILE 5 HG11 ILE 5 47.254 4.302 3.643 55 HG21 ILE 5 HG21 ILE 5 45.343 5.144 4.813 56 HG22 ILE 5 HG22 ILE 5 45.438 5.721 6.494 57 HG23 ILE 5 HG23 ILE 5 45.518 3.977 6.145 58 HD11 ILE 5 HD1 ILE 5 49.481 5.109 3.670 59 HD12 ILE 5 HD2 ILE 5 49.690 3.353 3.850 60 HD13 ILE 5 HD3 ILE 5 49.816 4.413 5.274 61 H GLY 6 HN GLY 6 45.398 7.398 4.745 62 HA2 GLY 6 HA1 GLY 6 45.547 6.918 1.892 63 HA3 GLY 6 HA2 GLY 6 44.274 7.803 2.756 64 H LYS 7 HN LYS 7 45.219 9.976 3.755 65 HA LYS 7 HA LYS 7 45.766 12.150 3.126 66 HB2 LYS 7 HB2 LYS 7 48.015 11.097 3.610 67 HB3 LYS 7 HB1 LYS 7 48.192 10.823 1.860 68 HG2 LYS 7 HG2 LYS 7 47.917 13.256 1.453 69 HG3 LYS 7 HG1 LYS 7 47.758 13.526 3.206 70 HD2 LYS 7 HD2 LYS 7 50.023 12.608 3.566 71 HD3 LYS 7 HD1 LYS 7 50.185 12.305 1.818 72 HE2 LYS 7 HE2 LYS 7 51.303 14.409 2.355 73 HE3 LYS 7 HE1 LYS 7 49.833 14.764 1.415 74 HZ1 LYS 7 HZ1 LYS 7 49.989 16.230 3.308 75 HZ2 LYS 7 HZ2 LYS 7 50.116 14.915 4.377 76 HZ3 LYS 7 HZ3 LYS 7 48.673 15.181 3.521 77 H GLY 8 HN GLY 8 43.977 12.313 1.636 78 HA2 GLY 8 HA1 GLY 8 44.843 13.165 -0.978 79 HA3 GLY 8 HA2 GLY 8 44.040 11.586 -1.078 80 H VAL 9 HN VAL 9 42.507 12.612 1.468 81 HA VAL 9 HA VAL 9 40.189 13.522 -0.059 82 HB VAL 9 HB VAL 9 39.094 13.699 2.165 83 HG11 VAL 9 HG11 VAL 9 40.745 11.150 1.896 84 HG12 VAL 9 HG12 VAL 9 39.303 11.513 0.916 85 HG13 VAL 9 HG13 VAL 9 39.155 11.320 2.680 86 HG21 VAL 9 HG21 VAL 9 40.441 12.890 4.155 87 HG22 VAL 9 HG22 VAL 9 40.954 14.473 3.523 88 HG23 VAL 9 HG23 VAL 9 41.900 13.014 3.144 89 H LYS 10 HN LYS 10 42.785 15.179 0.198 90 HA LYS 10 HA LYS 10 42.001 17.556 1.679 91 HB2 LYS 10 HB2 LYS 10 44.372 16.777 1.068 92 HB3 LYS 10 HB1 LYS 10 44.043 17.394 -0.568 93 HG2 LYS 10 HG2 LYS 10 43.383 19.615 0.582 94 HG3 LYS 10 HG1 LYS 10 44.141 18.950 2.047 95 HD2 LYS 10 HD2 LYS 10 45.482 19.356 -0.663 96 HD3 LYS 10 HD1 LYS 10 45.769 20.313 0.809 97 HE2 LYS 10 HE2 LYS 10 46.501 17.417 0.264 98 HE3 LYS 10 HE1 LYS 10 47.559 18.753 0.770 99 HZ1 LYS 10 HZ1 LYS 10 45.451 17.423 2.396 100 HZ2 LYS 10 HZ2 LYS 10 46.285 18.822 2.879 101 HZ3 LYS 10 HZ3 LYS 10 47.127 17.366 2.647 102 H ILE 11 HN ILE 11 41.360 16.257 -1.467 103 HA ILE 11 HA ILE 11 39.959 18.815 -2.243 104 HB ILE 11 HB ILE 11 41.338 16.931 -4.188 105 HG12 ILE 11 HG12 ILE 11 42.382 19.504 -2.916 106 HG13 ILE 11 HG11 ILE 11 43.064 17.872 -2.722 107 HG21 ILE 11 HG21 ILE 11 40.553 19.859 -4.522 108 HG22 ILE 11 HG22 ILE 11 39.440 18.526 -4.909 109 HG23 ILE 11 HG23 ILE 11 40.975 18.685 -5.791 110 HD11 ILE 11 HD1 ILE 11 44.438 18.880 -4.376 111 HD12 ILE 11 HD2 ILE 11 43.052 19.638 -5.193 112 HD13 ILE 11 HD3 ILE 11 43.306 17.879 -5.316 113 H ILE 12 HN ILE 12 40.227 15.287 -2.440 114 HA ILE 12 HA ILE 12 37.738 14.956 -3.933 115 HB ILE 12 HB ILE 12 39.372 13.047 -2.235 116 HG12 ILE 12 HG12 ILE 12 39.314 13.300 -5.280 117 HG13 ILE 12 HG11 ILE 12 40.501 14.152 -4.269 118 HG21 ILE 12 HG21 ILE 12 37.167 12.103 -2.511 119 HG22 ILE 12 HG22 ILE 12 38.182 11.299 -3.722 120 HG23 ILE 12 HG23 ILE 12 37.088 12.612 -4.212 121 HD11 ILE 12 HD1 ILE 12 41.686 12.205 -4.828 122 HD12 ILE 12 HD2 ILE 12 40.235 11.182 -4.809 123 HD13 ILE 12 HD3 ILE 12 40.964 11.721 -3.278 124 H GLY 13 HN GLY 13 38.386 13.252 -0.890 125 HA2 GLY 13 HA1 GLY 13 35.705 13.605 0.078 126 HA3 GLY 13 HA2 GLY 13 37.113 13.090 1.036 127 H GLY 14 HN GLY 14 38.199 15.622 -0.520 128 HA2 GLY 14 HA1 GLY 14 37.881 17.461 1.782 129 HA3 GLY 14 HA2 GLY 14 38.900 17.699 0.344 130 H ALA 15 HN ALA 15 37.061 17.308 -1.713 131 HA ALA 15 HA ALA 15 35.486 19.838 -1.449 132 HB1 ALA 15 HB1 ALA 15 35.822 17.940 -3.808 133 HB2 ALA 15 HB2 ALA 15 36.795 19.404 -3.518 134 HB3 ALA 15 HB3 ALA 15 35.053 19.542 -3.842 135 H ALA 16 HN ALA 16 34.953 17.390 0.087 136 HA ALA 16 HA ALA 16 33.029 16.396 0.895 137 HB1 ALA 16 HB1 ALA 16 31.907 18.543 -0.142 138 HB2 ALA 16 HB2 ALA 16 30.898 17.141 0.289 139 HB3 ALA 16 HB3 ALA 16 31.355 17.420 -1.407 140 H LEU 17 HN LEU 17 34.942 15.161 -0.865 141 HA LEU 17 HA LEU 17 35.116 13.239 -2.172 142 HB2 LEU 17 HB2 LEU 17 33.408 12.649 -0.139 143 HB3 LEU 17 HB1 LEU 17 32.318 12.339 -1.505 144 HG LEU 17 HG LEU 17 35.099 11.112 -1.166 145 HD11 LEU 17 HD11 LEU 17 33.365 10.346 0.499 146 HD12 LEU 17 HD12 LEU 17 33.931 9.057 -0.591 147 HD13 LEU 17 HD13 LEU 17 32.350 9.827 -0.867 148 HD21 LEU 17 HD21 LEU 17 34.303 9.619 -3.020 149 HD22 LEU 17 HD22 LEU 17 34.444 11.320 -3.523 150 HD23 LEU 17 HD23 LEU 17 32.844 10.626 -3.166 151 H ASP 18 HN ASP 18 34.360 15.524 -3.554 152 HA ASP 18 HA ASP 18 33.381 16.217 -5.543 153 HB2 ASP 18 HB2 ASP 18 34.806 14.311 -6.326 154 HB3 ASP 18 HB1 ASP 18 33.393 13.239 -6.171 155 H HIS 19 HN HIS 19 31.562 15.865 -3.398 156 HA HIS 19 HA HIS 19 29.288 15.629 -2.984 157 HB2 HIS 19 HB2 HIS 19 28.992 16.010 -5.986 158 HB3 HIS 19 HB1 HIS 19 27.815 16.421 -4.715 159 HD1 HIS 19 HD1 HIS 19 29.702 17.794 -2.671 160 HD2 HIS 19 HD2 HIS 19 29.826 18.532 -6.810 161 HE1 HIS 19 HE1 HIS 19 30.739 20.105 -3.002 162 H LEU 20 HN LEU 20 30.582 13.199 -3.162 163 HA LEU 20 HA LEU 20 30.222 10.947 -3.567 164 HB2 LEU 20 HB2 LEU 20 28.320 11.290 -2.125 165 HB3 LEU 20 HB1 LEU 20 27.368 11.997 -3.447 166 HG LEU 20 HG LEU 20 27.219 9.863 -4.587 167 HD11 LEU 20 HD11 LEU 20 29.373 8.879 -4.301 168 HD12 LEU 20 HD12 LEU 20 28.276 7.804 -3.406 169 HD13 LEU 20 HD13 LEU 20 29.280 8.983 -2.527 170 HD21 LEU 20 HD21 LEU 20 26.843 9.326 -1.610 171 HD22 LEU 20 HD22 LEU 20 25.955 8.583 -2.964 172 HD23 LEU 20 HD23 LEU 20 25.724 10.306 -2.587 Start of MODEL 49 1 H1 TRP 1 HT1 TRP 1 35.173 14.742 17.794 2 H2 TRP 1 HT2 TRP 1 36.659 14.418 18.552 3 H3 TRP 1 HT3 TRP 1 35.997 13.300 17.457 4 HA TRP 1 HA TRP 1 36.292 15.887 16.323 5 HB2 TRP 1 HB2 TRP 1 38.839 14.406 17.061 6 HB3 TRP 1 HB1 TRP 1 38.682 15.999 16.281 7 HD1 TRP 1 HD1 TRP 1 38.685 14.295 19.642 8 HE1 TRP 1 HE1 TRP 1 38.462 16.047 21.549 9 HE3 TRP 1 HE3 TRP 1 37.550 18.416 16.823 10 HZ2 TRP 1 HZ2 TRP 1 37.869 18.855 21.785 11 HZ3 TRP 1 HZ3 TRP 1 37.160 20.621 17.913 12 HH2 TRP 1 HH2 TRP 1 37.318 20.844 20.388 13 H LEU 2 HN LEU 2 35.195 14.995 14.614 14 HA LEU 2 HA LEU 2 34.908 13.704 12.706 15 HB2 LEU 2 HB2 LEU 2 37.927 13.854 12.930 16 HB3 LEU 2 HB1 LEU 2 37.144 13.020 11.575 17 HG LEU 2 HG LEU 2 37.799 15.475 11.194 18 HD11 LEU 2 HD11 LEU 2 35.951 15.898 9.773 19 HD12 LEU 2 HD12 LEU 2 34.809 15.044 10.829 20 HD13 LEU 2 HD13 LEU 2 36.007 14.127 9.889 21 HD21 LEU 2 HD21 LEU 2 35.324 16.038 12.888 22 HD22 LEU 2 HD22 LEU 2 36.421 17.216 12.131 23 HD23 LEU 2 HD23 LEU 2 36.991 16.215 13.485 24 H ARG 3 HN ARG 3 37.859 12.028 13.554 25 HA ARG 3 HA ARG 3 36.687 9.804 14.944 26 HB2 ARG 3 HB2 ARG 3 35.660 9.456 12.646 27 HB3 ARG 3 HB1 ARG 3 37.311 9.253 12.014 28 HG2 ARG 3 HG2 ARG 3 37.697 7.349 13.488 29 HG3 ARG 3 HG1 ARG 3 36.121 7.596 14.279 30 HD2 ARG 3 HD2 ARG 3 34.963 7.154 12.143 31 HD3 ARG 3 HD1 ARG 3 36.531 6.937 11.329 32 HE ARG 3 HE ARG 3 36.203 5.168 13.629 33 HH11 ARG 3 HH11 ARG 3 34.938 5.686 10.490 34 HH12 ARG 3 HH12 ARG 3 35.027 4.020 10.023 35 HH21 ARG 3 HH21 ARG 3 36.574 3.005 12.955 36 HH22 ARG 3 HH22 ARG 3 35.953 2.501 11.418 37 H ARG 4 HN ARG 4 39.104 11.361 13.035 38 HA ARG 4 HA ARG 4 41.259 10.522 14.713 39 HB2 ARG 4 HB2 ARG 4 42.514 9.158 13.003 40 HB3 ARG 4 HB1 ARG 4 41.079 8.340 13.667 41 HG2 ARG 4 HG2 ARG 4 39.761 9.070 11.686 42 HG3 ARG 4 HG1 ARG 4 41.219 9.841 11.015 43 HD2 ARG 4 HD2 ARG 4 40.857 6.873 11.627 44 HD3 ARG 4 HD1 ARG 4 40.940 7.620 10.012 45 HE ARG 4 HE ARG 4 43.303 8.324 11.458 46 HH11 ARG 4 HH11 ARG 4 43.632 7.318 8.774 47 HH12 ARG 4 HH12 ARG 4 44.233 5.709 8.991 48 HH21 ARG 4 HH21 ARG 4 43.247 5.504 12.309 49 HH22 ARG 4 HH22 ARG 4 44.015 4.681 10.991 50 H ILE 5 HN ILE 5 39.755 12.476 12.610 51 HA ILE 5 HA ILE 5 40.408 14.277 11.296 52 HB ILE 5 HB ILE 5 42.970 14.294 12.947 53 HG12 ILE 5 HG12 ILE 5 40.178 15.281 13.697 54 HG13 ILE 5 HG11 ILE 5 41.061 13.944 14.469 55 HG21 ILE 5 HG21 ILE 5 41.253 16.610 11.962 56 HG22 ILE 5 HG22 ILE 5 42.567 15.916 10.984 57 HG23 ILE 5 HG23 ILE 5 42.930 16.658 12.557 58 HD11 ILE 5 HD1 ILE 5 41.447 15.794 15.906 59 HD12 ILE 5 HD2 ILE 5 41.681 16.916 14.545 60 HD13 ILE 5 HD3 ILE 5 42.929 15.702 14.926 61 H GLY 6 HN GLY 6 40.629 12.724 9.486 62 HA2 GLY 6 HA1 GLY 6 42.844 13.251 7.889 63 HA3 GLY 6 HA2 GLY 6 43.281 11.775 8.774 64 H LYS 7 HN LYS 7 39.917 12.138 8.318 65 HA LYS 7 HA LYS 7 39.770 9.779 6.675 66 HB2 LYS 7 HB2 LYS 7 37.980 10.595 8.245 67 HB3 LYS 7 HB1 LYS 7 37.630 11.900 7.086 68 HG2 LYS 7 HG2 LYS 7 37.066 10.285 5.350 69 HG3 LYS 7 HG1 LYS 7 37.571 8.932 6.391 70 HD2 LYS 7 HD2 LYS 7 35.790 9.465 8.000 71 HD3 LYS 7 HD1 LYS 7 35.310 10.879 7.030 72 HE2 LYS 7 HE2 LYS 7 35.336 8.033 5.942 73 HE3 LYS 7 HE1 LYS 7 33.895 8.797 6.656 74 HZ1 LYS 7 HZ1 LYS 7 34.323 8.950 4.113 75 HZ2 LYS 7 HZ2 LYS 7 35.390 10.202 4.539 76 HZ3 LYS 7 HZ3 LYS 7 33.745 10.307 4.950 77 H GLY 8 HN GLY 8 38.641 13.101 5.878 78 HA2 GLY 8 HA1 GLY 8 38.569 12.552 3.056 79 HA3 GLY 8 HA2 GLY 8 38.476 14.150 3.822 80 H VAL 9 HN VAL 9 39.904 13.187 1.378 81 HA VAL 9 HA VAL 9 42.732 13.155 2.007 82 HB VAL 9 HB VAL 9 41.325 13.820 -0.620 83 HG11 VAL 9 HG11 VAL 9 43.595 14.631 -0.710 84 HG12 VAL 9 HG12 VAL 9 43.583 13.063 -1.552 85 HG13 VAL 9 HG13 VAL 9 44.213 13.179 0.110 86 HG21 VAL 9 HG21 VAL 9 41.763 11.468 -1.174 87 HG22 VAL 9 HG22 VAL 9 40.809 11.558 0.327 88 HG23 VAL 9 HG23 VAL 9 42.554 11.219 0.402 89 H LYS 10 HN LYS 10 41.306 15.569 -0.198 90 HA LYS 10 HA LYS 10 41.837 17.826 1.525 91 HB2 LYS 10 HB2 LYS 10 44.194 17.061 0.995 92 HB3 LYS 10 HB1 LYS 10 43.857 17.430 -0.714 93 HG2 LYS 10 HG2 LYS 10 43.332 19.772 -0.116 94 HG3 LYS 10 HG1 LYS 10 43.649 19.410 1.598 95 HD2 LYS 10 HD2 LYS 10 45.980 18.854 1.090 96 HD3 LYS 10 HD1 LYS 10 45.685 19.086 -0.650 97 HE2 LYS 10 HE2 LYS 10 45.414 21.233 1.500 98 HE3 LYS 10 HE1 LYS 10 46.756 21.088 0.340 99 HZ1 LYS 10 HZ1 LYS 10 43.898 21.653 -0.245 100 HZ2 LYS 10 HZ2 LYS 10 45.020 21.225 -1.446 101 HZ3 LYS 10 HZ3 LYS 10 45.237 22.649 -0.545 102 H ILE 11 HN ILE 11 41.197 16.388 -1.600 103 HA ILE 11 HA ILE 11 39.744 18.906 -2.403 104 HB ILE 11 HB ILE 11 41.213 17.105 -4.373 105 HG12 ILE 11 HG12 ILE 11 42.138 19.694 -3.044 106 HG13 ILE 11 HG11 ILE 11 42.894 18.092 -2.888 107 HG21 ILE 11 HG21 ILE 11 39.250 18.625 -5.071 108 HG22 ILE 11 HG22 ILE 11 40.780 18.866 -5.943 109 HG23 ILE 11 HG23 ILE 11 40.301 19.999 -4.657 110 HD11 ILE 11 HD1 ILE 11 42.804 19.913 -5.315 111 HD12 ILE 11 HD2 ILE 11 43.132 18.170 -5.482 112 HD13 ILE 11 HD3 ILE 11 44.221 19.195 -4.518 113 H ILE 12 HN ILE 12 40.221 15.413 -3.095 114 HA ILE 12 HA ILE 12 37.490 15.201 -4.184 115 HB ILE 12 HB ILE 12 39.530 13.071 -3.452 116 HG12 ILE 12 HG12 ILE 12 40.514 14.567 -5.086 117 HG13 ILE 12 HG11 ILE 12 40.066 13.066 -5.921 118 HG21 ILE 12 HG21 ILE 12 36.840 12.996 -4.841 119 HG22 ILE 12 HG22 ILE 12 37.573 11.824 -3.727 120 HG23 ILE 12 HG23 ILE 12 38.105 11.885 -5.419 121 HD11 ILE 12 HD1 ILE 12 37.821 14.333 -6.468 122 HD12 ILE 12 HD2 ILE 12 39.282 14.735 -7.393 123 HD13 ILE 12 HD3 ILE 12 38.751 15.795 -6.069 124 H GLY 13 HN GLY 13 38.676 12.647 -2.070 125 HA2 GLY 13 HA1 GLY 13 36.280 12.498 -0.555 126 HA3 GLY 13 HA2 GLY 13 37.862 11.870 -0.041 127 H GLY 14 HN GLY 14 38.604 14.794 -0.788 128 HA2 GLY 14 HA1 GLY 14 38.558 15.824 1.967 129 HA3 GLY 14 HA2 GLY 14 39.331 16.572 0.550 130 H ALA 15 HN ALA 15 37.286 16.792 -1.292 131 HA ALA 15 HA ALA 15 35.581 18.851 0.083 132 HB1 ALA 15 HB1 ALA 15 36.719 19.282 -2.157 133 HB2 ALA 15 HB2 ALA 15 34.967 19.580 -2.110 134 HB3 ALA 15 HB3 ALA 15 35.594 18.096 -2.861 135 H ALA 16 HN ALA 16 35.408 15.998 0.620 136 HA ALA 16 HA ALA 16 33.709 14.508 1.079 137 HB1 ALA 16 HB1 ALA 16 32.325 16.726 1.215 138 HB2 ALA 16 HB2 ALA 16 31.463 15.178 1.049 139 HB3 ALA 16 HB3 ALA 16 31.682 16.230 -0.368 140 H LEU 17 HN LEU 17 35.394 14.023 -0.999 141 HA LEU 17 HA LEU 17 35.541 12.680 -2.886 142 HB2 LEU 17 HB2 LEU 17 32.554 12.163 -2.653 143 HB3 LEU 17 HB1 LEU 17 33.760 11.166 -3.483 144 HG LEU 17 HG LEU 17 34.053 11.711 -0.502 145 HD11 LEU 17 HD11 LEU 17 31.760 10.885 -0.751 146 HD12 LEU 17 HD12 LEU 17 32.791 9.599 -0.082 147 HD13 LEU 17 HD13 LEU 17 32.325 9.562 -1.798 148 HD21 LEU 17 HD21 LEU 17 34.734 9.272 -2.203 149 HD22 LEU 17 HD22 LEU 17 35.269 9.608 -0.540 150 HD23 LEU 17 HD23 LEU 17 35.879 10.594 -1.887 151 H ASP 18 HN ASP 18 34.931 15.534 -3.039 152 HA ASP 18 HA ASP 18 34.336 17.111 -4.635 153 HB2 ASP 18 HB2 ASP 18 35.981 15.750 -5.935 154 HB3 ASP 18 HB1 ASP 18 34.630 14.771 -6.558 155 H HIS 19 HN HIS 19 32.155 16.040 -3.291 156 HA HIS 19 HA HIS 19 29.857 15.747 -3.469 157 HB2 HIS 19 HB2 HIS 19 30.066 18.055 -4.334 158 HB3 HIS 19 HB1 HIS 19 30.277 17.415 -5.982 159 HD1 HIS 19 HD1 HIS 19 28.206 16.710 -7.275 160 HD2 HIS 19 HD2 HIS 19 27.409 17.560 -3.232 161 HE1 HIS 19 HE1 HIS 19 25.668 16.706 -6.982 162 H LEU 20 HN LEU 20 30.662 13.426 -4.009 163 HA LEU 20 HA LEU 20 30.387 12.515 -6.732 164 HB2 LEU 20 HB2 LEU 20 31.663 11.199 -5.162 165 HB3 LEU 20 HB1 LEU 20 30.287 11.088 -4.046 166 HG LEU 20 HG LEU 20 29.058 9.665 -5.579 167 HD11 LEU 20 HD11 LEU 20 31.269 10.414 -7.532 168 HD12 LEU 20 HD12 LEU 20 29.508 10.576 -7.736 169 HD13 LEU 20 HD13 LEU 20 30.262 8.966 -7.773 170 HD21 LEU 20 HD21 LEU 20 30.809 8.581 -4.190 171 HD22 LEU 20 HD22 LEU 20 31.990 8.820 -5.501 172 HD23 LEU 20 HD23 LEU 20 30.597 7.738 -5.742 Start of MODEL 50 1 H1 TRP 1 HT1 TRP 1 42.871 14.257 17.504 2 H2 TRP 1 HT2 TRP 1 43.219 12.606 17.714 3 H3 TRP 1 HT3 TRP 1 41.692 13.218 18.140 4 HA TRP 1 HA TRP 1 42.607 13.567 15.402 5 HB2 TRP 1 HB2 TRP 1 41.608 11.307 14.870 6 HB3 TRP 1 HB1 TRP 1 43.153 11.242 15.752 7 HD1 TRP 1 HD1 TRP 1 39.357 10.930 16.355 8 HE1 TRP 1 HE1 TRP 1 38.944 9.494 18.483 9 HE3 TRP 1 HE3 TRP 1 44.207 10.347 17.889 10 HZ2 TRP 1 HZ2 TRP 1 40.531 8.272 20.553 11 HZ3 TRP 1 HZ3 TRP 1 44.734 9.043 19.944 12 HH2 TRP 1 HH2 TRP 1 42.902 8.006 21.276 13 H LEU 2 HN LEU 2 40.961 14.265 14.145 14 HA LEU 2 HA LEU 2 38.541 15.133 15.458 15 HB2 LEU 2 HB2 LEU 2 39.688 16.241 13.473 16 HB3 LEU 2 HB1 LEU 2 39.040 14.924 12.474 17 HG LEU 2 HG LEU 2 36.709 15.588 13.536 18 HD11 LEU 2 HD11 LEU 2 37.456 17.169 15.225 19 HD12 LEU 2 HD12 LEU 2 36.608 18.089 13.966 20 HD13 LEU 2 HD13 LEU 2 38.384 18.096 14.025 21 HD21 LEU 2 HD21 LEU 2 38.133 17.390 11.524 22 HD22 LEU 2 HD22 LEU 2 36.370 17.276 11.742 23 HD23 LEU 2 HD23 LEU 2 37.287 15.869 11.151 24 H ARG 3 HN ARG 3 38.785 13.128 12.533 25 HA ARG 3 HA ARG 3 37.156 10.981 13.662 26 HB2 ARG 3 HB2 ARG 3 35.459 12.806 13.139 27 HB3 ARG 3 HB1 ARG 3 35.935 12.658 11.430 28 HG2 ARG 3 HG2 ARG 3 35.285 10.292 11.416 29 HG3 ARG 3 HG1 ARG 3 34.906 10.360 13.154 30 HD2 ARG 3 HD2 ARG 3 33.225 12.190 12.613 31 HD3 ARG 3 HD1 ARG 3 33.498 11.833 10.891 32 HE ARG 3 HE ARG 3 32.205 9.875 11.164 33 HH11 ARG 3 HH11 ARG 3 30.615 11.027 13.311 34 HH12 ARG 3 HH12 ARG 3 30.868 9.942 14.637 35 HH21 ARG 3 HH21 ARG 3 33.701 8.494 13.258 36 HH22 ARG 3 HH22 ARG 3 32.615 8.507 14.608 37 H ARG 4 HN ARG 4 39.098 12.559 11.387 38 HA ARG 4 HA ARG 4 39.986 10.075 10.205 39 HB2 ARG 4 HB2 ARG 4 37.808 10.496 8.966 40 HB3 ARG 4 HB1 ARG 4 38.529 12.000 8.344 41 HG2 ARG 4 HG2 ARG 4 40.229 10.814 7.144 42 HG3 ARG 4 HG1 ARG 4 39.886 9.293 8.001 43 HD2 ARG 4 HD2 ARG 4 38.951 9.567 5.585 44 HD3 ARG 4 HD1 ARG 4 37.847 8.959 6.842 45 HE ARG 4 HE ARG 4 37.741 11.859 6.604 46 HH11 ARG 4 HH11 ARG 4 37.302 9.832 4.078 47 HH12 ARG 4 HH12 ARG 4 35.588 10.037 3.927 48 HH21 ARG 4 HH21 ARG 4 35.257 11.714 6.945 49 HH22 ARG 4 HH22 ARG 4 34.430 11.104 5.550 50 H ILE 5 HN ILE 5 40.226 13.254 11.139 51 HA ILE 5 HA ILE 5 41.928 14.815 10.978 52 HB ILE 5 HB ILE 5 43.650 12.652 9.699 53 HG12 ILE 5 HG12 ILE 5 42.972 13.104 12.643 54 HG13 ILE 5 HG11 ILE 5 42.550 11.677 11.669 55 HG21 ILE 5 HG21 ILE 5 44.404 14.843 11.676 56 HG22 ILE 5 HG22 ILE 5 44.423 15.103 9.915 57 HG23 ILE 5 HG23 ILE 5 45.480 13.873 10.643 58 HD11 ILE 5 HD1 ILE 5 45.292 12.580 12.613 59 HD12 ILE 5 HD2 ILE 5 45.111 11.453 11.245 60 HD13 ILE 5 HD3 ILE 5 44.495 11.009 12.855 61 H GLY 6 HN GLY 6 42.218 16.460 9.615 62 HA2 GLY 6 HA1 GLY 6 42.413 17.627 7.627 63 HA3 GLY 6 HA2 GLY 6 42.994 16.131 6.869 64 H LYS 7 HN LYS 7 40.127 15.292 8.220 65 HA LYS 7 HA LYS 7 38.056 14.826 7.282 66 HB2 LYS 7 HB2 LYS 7 38.329 17.487 5.841 67 HB3 LYS 7 HB1 LYS 7 36.840 16.674 6.382 68 HG2 LYS 7 HG2 LYS 7 37.649 16.902 8.757 69 HG3 LYS 7 HG1 LYS 7 39.022 17.858 8.149 70 HD2 LYS 7 HD2 LYS 7 37.368 19.434 7.080 71 HD3 LYS 7 HD1 LYS 7 36.062 18.533 7.885 72 HE2 LYS 7 HE2 LYS 7 36.695 20.510 9.222 73 HE3 LYS 7 HE1 LYS 7 37.099 19.011 10.092 74 HZ1 LYS 7 HZ1 LYS 7 39.211 19.929 8.367 75 HZ2 LYS 7 HZ2 LYS 7 39.263 19.479 10.005 76 HZ3 LYS 7 HZ3 LYS 7 38.814 21.058 9.569 77 H GLY 8 HN GLY 8 38.892 13.072 6.033 78 HA2 GLY 8 HA1 GLY 8 38.906 11.915 4.020 79 HA3 GLY 8 HA2 GLY 8 38.332 13.382 3.205 80 H VAL 9 HN VAL 9 39.669 13.284 1.438 81 HA VAL 9 HA VAL 9 42.554 12.899 1.774 82 HB VAL 9 HB VAL 9 40.964 13.823 -0.663 83 HG11 VAL 9 HG11 VAL 9 43.837 12.893 -0.249 84 HG12 VAL 9 HG12 VAL 9 43.284 14.433 -0.947 85 HG13 VAL 9 HG13 VAL 9 43.049 12.915 -1.844 86 HG21 VAL 9 HG21 VAL 9 41.142 11.473 -1.367 87 HG22 VAL 9 HG22 VAL 9 40.323 11.572 0.210 88 HG23 VAL 9 HG23 VAL 9 42.030 11.074 0.123 89 H LYS 10 HN LYS 10 41.384 15.500 -0.313 90 HA LYS 10 HA LYS 10 42.018 17.660 1.495 91 HB2 LYS 10 HB2 LYS 10 44.321 16.616 1.027 92 HB3 LYS 10 HB1 LYS 10 44.125 17.185 -0.647 93 HG2 LYS 10 HG2 LYS 10 43.749 19.510 0.249 94 HG3 LYS 10 HG1 LYS 10 44.120 18.897 1.878 95 HD2 LYS 10 HD2 LYS 10 46.351 18.157 1.096 96 HD3 LYS 10 HD1 LYS 10 45.982 18.769 -0.535 97 HE2 LYS 10 HE2 LYS 10 47.319 20.423 0.712 98 HE3 LYS 10 HE1 LYS 10 45.683 21.055 0.408 99 HZ1 LYS 10 HZ1 LYS 10 46.913 20.889 2.837 100 HZ2 LYS 10 HZ2 LYS 10 45.863 19.553 2.847 101 HZ3 LYS 10 HZ3 LYS 10 45.251 21.115 2.578 102 H ILE 11 HN ILE 11 41.368 16.335 -1.661 103 HA ILE 11 HA ILE 11 40.321 19.026 -2.545 104 HB ILE 11 HB ILE 11 41.540 16.967 -4.426 105 HG12 ILE 11 HG12 ILE 11 42.860 19.406 -3.146 106 HG13 ILE 11 HG11 ILE 11 43.297 17.707 -2.858 107 HG21 ILE 11 HG21 ILE 11 41.466 18.737 -6.039 108 HG22 ILE 11 HG22 ILE 11 41.157 19.968 -4.790 109 HG23 ILE 11 HG23 ILE 11 39.893 18.790 -5.214 110 HD11 ILE 11 HD1 ILE 11 43.662 17.568 -5.433 111 HD12 ILE 11 HD2 ILE 11 44.877 18.441 -4.471 112 HD13 ILE 11 HD3 ILE 11 43.651 19.348 -5.388 113 H ILE 12 HN ILE 12 40.237 15.475 -2.983 114 HA ILE 12 HA ILE 12 37.543 15.664 -4.224 115 HB ILE 12 HB ILE 12 39.267 13.260 -3.510 116 HG12 ILE 12 HG12 ILE 12 38.876 14.641 -6.210 117 HG13 ILE 12 HG11 ILE 12 40.296 14.865 -5.165 118 HG21 ILE 12 HG21 ILE 12 37.789 12.097 -5.204 119 HG22 ILE 12 HG22 ILE 12 36.796 13.569 -5.287 120 HG23 ILE 12 HG23 ILE 12 36.900 12.647 -3.770 121 HD11 ILE 12 HD1 ILE 12 39.474 12.442 -6.779 122 HD12 ILE 12 HD2 ILE 12 40.392 12.185 -5.276 123 HD13 ILE 12 HD3 ILE 12 41.079 13.176 -6.582 124 H GLY 13 HN GLY 13 38.402 12.986 -2.088 125 HA2 GLY 13 HA1 GLY 13 35.976 13.171 -0.590 126 HA3 GLY 13 HA2 GLY 13 37.443 12.291 -0.095 127 H GLY 14 HN GLY 14 38.607 15.090 -0.837 128 HA2 GLY 14 HA1 GLY 14 38.756 16.081 1.934 129 HA3 GLY 14 HA2 GLY 14 39.640 16.698 0.520 130 H ALA 15 HN ALA 15 37.632 17.233 -1.316 131 HA ALA 15 HA ALA 15 36.378 19.601 0.012 132 HB1 ALA 15 HB1 ALA 15 37.385 19.738 -2.288 133 HB2 ALA 15 HB2 ALA 15 35.681 20.238 -2.213 134 HB3 ALA 15 HB3 ALA 15 36.108 18.637 -2.860 135 H ALA 16 HN ALA 16 35.703 16.856 0.771 136 HA ALA 16 HA ALA 16 33.774 15.811 1.486 137 HB1 ALA 16 HB1 ALA 16 32.004 17.677 -0.107 138 HB2 ALA 16 HB2 ALA 16 32.830 18.266 1.354 139 HB3 ALA 16 HB3 ALA 16 31.703 16.893 1.462 140 H LEU 17 HN LEU 17 35.301 15.037 -0.819 141 HA LEU 17 HA LEU 17 35.074 13.700 -2.715 142 HB2 LEU 17 HB2 LEU 17 33.648 12.545 -0.702 143 HB3 LEU 17 HB1 LEU 17 32.341 12.741 -1.889 144 HG LEU 17 HG LEU 17 35.019 11.362 -2.429 145 HD11 LEU 17 HD11 LEU 17 33.677 9.285 -2.433 146 HD12 LEU 17 HD12 LEU 17 32.223 10.218 -2.004 147 HD13 LEU 17 HD13 LEU 17 33.577 10.100 -0.855 148 HD21 LEU 17 HD21 LEU 17 33.842 10.601 -4.506 149 HD22 LEU 17 HD22 LEU 17 34.044 12.368 -4.451 150 HD23 LEU 17 HD23 LEU 17 32.463 11.639 -4.078 151 H ASP 18 HN ASP 18 34.232 16.389 -3.018 152 HA ASP 18 HA ASP 18 33.020 17.741 -4.459 153 HB2 ASP 18 HB2 ASP 18 34.189 16.381 -6.134 154 HB3 ASP 18 HB1 ASP 18 32.904 15.155 -6.062 155 H HIS 19 HN HIS 19 31.242 14.822 -5.426 156 HA HIS 19 HA HIS 19 28.697 16.013 -5.270 157 HB2 HIS 19 HB2 HIS 19 29.319 13.080 -4.761 158 HB3 HIS 19 HB1 HIS 19 27.798 13.769 -5.379 159 HD1 HIS 19 HD1 HIS 19 28.363 15.465 -7.641 160 HD2 HIS 19 HD2 HIS 19 30.881 12.192 -6.845 161 HE1 HIS 19 HE1 HIS 19 29.578 14.893 -9.815 162 H LEU 20 HN LEU 20 29.972 13.596 -2.924 163 HA LEU 20 HA LEU 20 27.953 14.098 -0.984 164 HB2 LEU 20 HB2 LEU 20 29.771 12.183 -1.217 165 HB3 LEU 20 HB1 LEU 20 30.752 13.245 -0.198 166 HG LEU 20 HG LEU 20 29.638 11.735 1.285 167 HD11 LEU 20 HD11 LEU 20 28.399 13.210 2.719 168 HD12 LEU 20 HD12 LEU 20 27.943 14.266 1.365 169 HD13 LEU 20 HD13 LEU 20 29.637 14.190 1.905 170 HD21 LEU 20 HD21 LEU 20 26.872 12.502 0.275 171 HD22 LEU 20 HD22 LEU 20 27.377 11.078 1.203 172 HD23 LEU 20 HD23 LEU 20 27.789 11.202 -0.520 Start of MODEL 51 1 H1 TRP 1 HT1 TRP 1 27.850 11.217 11.639 2 H2 TRP 1 HT2 TRP 1 27.576 10.140 12.924 3 H3 TRP 1 HT3 TRP 1 26.809 9.897 11.426 4 HA TRP 1 HA TRP 1 29.152 8.800 12.282 5 HB2 TRP 1 HB2 TRP 1 27.913 9.076 9.517 6 HB3 TRP 1 HB1 TRP 1 29.239 7.956 9.916 7 HD1 TRP 1 HD1 TRP 1 25.521 8.584 10.543 8 HE1 TRP 1 HE1 TRP 1 24.425 6.451 11.548 9 HE3 TRP 1 HE3 TRP 1 29.744 5.794 11.309 10 HZ2 TRP 1 HZ2 TRP 1 25.295 3.893 12.541 11 HZ3 TRP 1 HZ3 TRP 1 29.587 3.509 12.287 12 HH2 TRP 1 HH2 TRP 1 27.369 2.557 12.903 13 H LEU 2 HN LEU 2 31.209 8.696 11.033 14 HA LEU 2 HA LEU 2 32.361 11.370 10.885 15 HB2 LEU 2 HB2 LEU 2 33.620 8.790 9.903 16 HB3 LEU 2 HB1 LEU 2 34.434 10.247 10.518 17 HG LEU 2 HG LEU 2 32.679 8.338 12.125 18 HD11 LEU 2 HD11 LEU 2 34.782 7.827 13.308 19 HD12 LEU 2 HD12 LEU 2 35.662 8.965 12.260 20 HD13 LEU 2 HD13 LEU 2 34.950 7.487 11.570 21 HD21 LEU 2 HD21 LEU 2 32.319 10.503 13.068 22 HD22 LEU 2 HD22 LEU 2 34.011 10.992 12.803 23 HD23 LEU 2 HD23 LEU 2 33.613 9.796 14.061 24 H ARG 3 HN ARG 3 30.478 9.578 8.811 25 HA ARG 3 HA ARG 3 29.946 9.787 6.574 26 HB2 ARG 3 HB2 ARG 3 31.618 12.327 6.606 27 HB3 ARG 3 HB1 ARG 3 30.320 11.900 5.470 28 HG2 ARG 3 HG2 ARG 3 28.675 11.921 7.299 29 HG3 ARG 3 HG1 ARG 3 29.962 12.278 8.476 30 HD2 ARG 3 HD2 ARG 3 29.291 14.053 6.091 31 HD3 ARG 3 HD1 ARG 3 28.675 14.318 7.740 32 HE ARG 3 HE ARG 3 31.465 14.125 7.999 33 HH11 ARG 3 HH11 ARG 3 31.693 16.383 8.955 34 HH12 ARG 3 HH12 ARG 3 31.577 17.654 7.784 35 HH21 ARG 3 HH21 ARG 3 30.226 15.618 5.322 36 HH22 ARG 3 HH22 ARG 3 30.745 17.221 5.727 37 H ARG 4 HN ARG 4 33.166 11.358 6.434 38 HA ARG 4 HA ARG 4 33.943 9.722 4.174 39 HB2 ARG 4 HB2 ARG 4 35.358 11.684 6.001 40 HB3 ARG 4 HB1 ARG 4 36.298 10.717 4.844 41 HG2 ARG 4 HG2 ARG 4 35.658 12.919 3.888 42 HG3 ARG 4 HG1 ARG 4 34.927 11.574 2.981 43 HD2 ARG 4 HD2 ARG 4 33.438 12.958 5.239 44 HD3 ARG 4 HD1 ARG 4 33.398 13.581 3.574 45 HE ARG 4 HE ARG 4 31.978 11.243 4.534 46 HH11 ARG 4 HH11 ARG 4 32.432 13.264 1.935 47 HH12 ARG 4 HH12 ARG 4 32.125 12.079 0.712 48 HH21 ARG 4 HH21 ARG 4 32.112 9.410 2.926 49 HH22 ARG 4 HH22 ARG 4 31.944 9.896 1.272 50 H ILE 5 HN ILE 5 33.364 8.683 7.184 51 HA ILE 5 HA ILE 5 34.198 6.967 8.513 52 HB ILE 5 HB ILE 5 35.417 5.785 5.985 53 HG12 ILE 5 HG12 ILE 5 32.467 5.938 6.763 54 HG13 ILE 5 HG11 ILE 5 33.224 6.678 5.333 55 HG21 ILE 5 HG21 ILE 5 34.904 3.691 7.006 56 HG22 ILE 5 HG22 ILE 5 33.785 4.434 8.174 57 HG23 ILE 5 HG23 ILE 5 35.539 4.686 8.334 58 HD11 ILE 5 HD1 ILE 5 32.798 3.730 5.927 59 HD12 ILE 5 HD2 ILE 5 33.977 4.276 4.708 60 HD13 ILE 5 HD3 ILE 5 32.251 4.667 4.518 61 H GLY 6 HN GLY 6 35.836 9.205 8.540 62 HA2 GLY 6 HA1 GLY 6 37.961 9.829 9.199 63 HA3 GLY 6 HA2 GLY 6 38.261 8.118 9.563 64 H LYS 7 HN LYS 7 38.008 10.376 6.784 65 HA LYS 7 HA LYS 7 40.584 9.360 5.748 66 HB2 LYS 7 HB2 LYS 7 37.968 8.987 4.232 67 HB3 LYS 7 HB1 LYS 7 39.573 8.884 3.480 68 HG2 LYS 7 HG2 LYS 7 40.119 7.112 5.306 69 HG3 LYS 7 HG1 LYS 7 38.369 7.083 5.613 70 HD2 LYS 7 HD2 LYS 7 38.542 5.370 4.027 71 HD3 LYS 7 HD1 LYS 7 38.213 6.756 2.963 72 HE2 LYS 7 HE2 LYS 7 40.064 5.678 1.942 73 HE3 LYS 7 HE1 LYS 7 40.817 7.007 2.851 74 HZ1 LYS 7 HZ1 LYS 7 41.433 5.537 4.574 75 HZ2 LYS 7 HZ2 LYS 7 41.867 4.760 3.126 76 HZ3 LYS 7 HZ3 LYS 7 40.472 4.277 3.969 77 H GLY 8 HN GLY 8 38.335 10.643 3.457 78 HA2 GLY 8 HA1 GLY 8 38.341 12.663 2.327 79 HA3 GLY 8 HA2 GLY 8 38.491 13.410 3.930 80 H VAL 9 HN VAL 9 40.010 12.743 0.932 81 HA VAL 9 HA VAL 9 42.755 12.872 1.692 82 HB VAL 9 HB VAL 9 41.454 13.879 -0.879 83 HG11 VAL 9 HG11 VAL 9 43.772 13.347 -1.795 84 HG12 VAL 9 HG12 VAL 9 44.321 13.193 -0.108 85 HG13 VAL 9 HG13 VAL 9 43.702 14.752 -0.704 86 HG21 VAL 9 HG21 VAL 9 40.941 11.507 -0.378 87 HG22 VAL 9 HG22 VAL 9 42.674 11.181 -0.137 88 HG23 VAL 9 HG23 VAL 9 42.069 11.639 -1.749 89 H LYS 10 HN LYS 10 41.381 15.532 -0.229 90 HA LYS 10 HA LYS 10 41.659 17.541 1.820 91 HB2 LYS 10 HB2 LYS 10 44.093 16.933 1.405 92 HB3 LYS 10 HB1 LYS 10 43.882 17.542 -0.254 93 HG2 LYS 10 HG2 LYS 10 43.157 19.743 0.666 94 HG3 LYS 10 HG1 LYS 10 43.440 19.130 2.314 95 HD2 LYS 10 HD2 LYS 10 45.823 18.732 1.760 96 HD3 LYS 10 HD1 LYS 10 45.542 19.344 0.112 97 HE2 LYS 10 HE2 LYS 10 44.992 20.969 2.631 98 HE3 LYS 10 HE1 LYS 10 46.515 21.056 1.712 99 HZ1 LYS 10 HZ1 LYS 10 44.933 21.453 -0.279 100 HZ2 LYS 10 HZ2 LYS 10 45.270 22.737 0.781 101 HZ3 LYS 10 HZ3 LYS 10 43.801 21.892 0.906 102 H ILE 11 HN ILE 11 41.406 16.505 -1.502 103 HA ILE 11 HA ILE 11 39.987 19.087 -2.176 104 HB ILE 11 HB ILE 11 41.488 17.342 -4.175 105 HG12 ILE 11 HG12 ILE 11 42.451 19.860 -2.738 106 HG13 ILE 11 HG11 ILE 11 43.094 18.219 -2.495 107 HG21 ILE 11 HG21 ILE 11 41.196 19.196 -5.664 108 HG22 ILE 11 HG22 ILE 11 40.703 20.282 -4.342 109 HG23 ILE 11 HG23 ILE 11 39.619 18.976 -4.875 110 HD11 ILE 11 HD1 ILE 11 44.608 19.206 -4.031 111 HD12 ILE 11 HD2 ILE 11 43.304 19.988 -4.953 112 HD13 ILE 11 HD3 ILE 11 43.539 18.225 -5.061 113 H ILE 12 HN ILE 12 40.425 15.674 -3.225 114 HA ILE 12 HA ILE 12 37.754 15.591 -4.404 115 HB ILE 12 HB ILE 12 39.648 13.344 -3.637 116 HG12 ILE 12 HG12 ILE 12 40.850 14.830 -5.101 117 HG13 ILE 12 HG11 ILE 12 40.346 13.440 -6.082 118 HG21 ILE 12 HG21 ILE 12 38.349 12.294 -5.735 119 HG22 ILE 12 HG22 ILE 12 37.099 13.475 -5.279 120 HG23 ILE 12 HG23 ILE 12 37.629 12.247 -4.112 121 HD11 ILE 12 HD1 ILE 12 39.253 16.271 -6.083 122 HD12 ILE 12 HD2 ILE 12 38.258 14.922 -6.677 123 HD13 ILE 12 HD3 ILE 12 39.813 15.288 -7.454 124 H GLY 13 HN GLY 13 38.661 12.864 -2.383 125 HA2 GLY 13 HA1 GLY 13 36.182 12.695 -1.050 126 HA3 GLY 13 HA2 GLY 13 37.713 12.031 -0.439 127 H GLY 14 HN GLY 14 38.598 14.938 -0.937 128 HA2 GLY 14 HA1 GLY 14 38.313 15.831 1.844 129 HA3 GLY 14 HA2 GLY 14 39.208 16.643 0.539 130 H ALA 15 HN ALA 15 37.312 16.997 -1.445 131 HA ALA 15 HA ALA 15 35.574 19.048 -0.121 132 HB1 ALA 15 HB1 ALA 15 35.015 19.752 -2.370 133 HB2 ALA 15 HB2 ALA 15 35.783 18.307 -3.066 134 HB3 ALA 15 HB3 ALA 15 36.778 19.552 -2.267 135 H ALA 16 HN ALA 16 35.303 16.151 0.316 136 HA ALA 16 HA ALA 16 33.507 14.760 0.731 137 HB1 ALA 16 HB1 ALA 16 32.184 17.040 0.682 138 HB2 ALA 16 HB2 ALA 16 31.297 15.502 0.558 139 HB3 ALA 16 HB3 ALA 16 31.617 16.465 -0.903 140 H LEU 17 HN LEU 17 35.364 14.436 -1.408 141 HA LEU 17 HA LEU 17 35.578 13.172 -3.351 142 HB2 LEU 17 HB2 LEU 17 33.932 11.753 -1.743 143 HB3 LEU 17 HB1 LEU 17 32.792 12.030 -3.074 144 HG LEU 17 HG LEU 17 35.586 10.824 -3.391 145 HD11 LEU 17 HD11 LEU 17 34.283 8.712 -3.831 146 HD12 LEU 17 HD12 LEU 17 32.814 9.559 -3.292 147 HD13 LEU 17 HD13 LEU 17 34.157 9.291 -2.154 148 HD21 LEU 17 HD21 LEU 17 33.231 11.174 -5.304 149 HD22 LEU 17 HD22 LEU 17 34.671 10.190 -5.652 150 HD23 LEU 17 HD23 LEU 17 34.830 11.947 -5.430 151 H ASP 18 HN ASP 18 34.907 15.755 -3.819 152 HA ASP 18 HA ASP 18 33.953 17.163 -5.400 153 HB2 ASP 18 HB2 ASP 18 33.582 14.603 -7.005 154 HB3 ASP 18 HB1 ASP 18 33.680 16.264 -7.639 155 H HIS 19 HN HIS 19 32.242 15.642 -3.400 156 HA HIS 19 HA HIS 19 29.988 15.448 -2.901 157 HB2 HIS 19 HB2 HIS 19 30.060 17.876 -3.477 158 HB3 HIS 19 HB1 HIS 19 29.638 17.462 -5.156 159 HD1 HIS 19 HD1 HIS 19 28.264 16.517 -1.675 160 HD2 HIS 19 HD2 HIS 19 26.919 17.730 -5.471 161 HE1 HIS 19 HE1 HIS 19 25.712 16.599 -1.588 162 H LEU 20 HN LEU 20 30.561 13.255 -4.050 163 HA LEU 20 HA LEU 20 29.630 12.631 -6.624 164 HB2 LEU 20 HB2 LEU 20 30.851 11.102 -5.019 165 HB3 LEU 20 HB1 LEU 20 29.317 10.885 -4.152 166 HG LEU 20 HG LEU 20 28.308 10.128 -6.407 167 HD11 LEU 20 HD11 LEU 20 29.889 10.827 -8.044 168 HD12 LEU 20 HD12 LEU 20 30.152 9.077 -7.918 169 HD13 LEU 20 HD13 LEU 20 31.268 10.202 -7.112 170 HD21 LEU 20 HD21 LEU 20 28.877 8.583 -4.551 171 HD22 LEU 20 HD22 LEU 20 30.544 8.464 -5.165 172 HD23 LEU 20 HD23 LEU 20 29.190 7.834 -6.134 Start of MODEL 52 1 H1 TRP 1 HT1 TRP 1 52.640 9.874 5.341 2 H2 TRP 1 HT2 TRP 1 53.778 9.025 6.276 3 H3 TRP 1 HT3 TRP 1 53.348 10.616 6.691 4 HA TRP 1 HA TRP 1 51.041 9.044 6.534 5 HB2 TRP 1 HB2 TRP 1 51.634 7.592 8.552 6 HB3 TRP 1 HB1 TRP 1 52.353 7.098 7.000 7 HD1 TRP 1 HD1 TRP 1 53.231 8.531 10.408 8 HE1 TRP 1 HE1 TRP 1 55.813 8.570 10.716 9 HE3 TRP 1 HE3 TRP 1 54.629 7.292 5.643 10 HZ2 TRP 1 HZ2 TRP 1 58.146 8.119 9.087 11 HZ3 TRP 1 HZ3 TRP 1 57.038 7.101 5.042 12 HH2 TRP 1 HH2 TRP 1 58.797 7.513 6.758 13 H LEU 2 HN LEU 2 49.774 10.545 7.395 14 HA LEU 2 HA LEU 2 50.779 12.435 9.389 15 HB2 LEU 2 HB2 LEU 2 47.876 11.992 8.618 16 HB3 LEU 2 HB1 LEU 2 48.655 13.485 9.195 17 HG LEU 2 HG LEU 2 49.143 12.089 6.526 18 HD11 LEU 2 HD11 LEU 2 48.082 14.040 5.555 19 HD12 LEU 2 HD12 LEU 2 48.011 14.852 7.137 20 HD13 LEU 2 HD13 LEU 2 47.002 13.419 6.826 21 HD21 LEU 2 HD21 LEU 2 51.249 13.027 7.162 22 HD22 LEU 2 HD22 LEU 2 50.486 14.464 7.885 23 HD23 LEU 2 HD23 LEU 2 50.506 14.259 6.117 24 H ARG 3 HN ARG 3 47.828 10.418 9.527 25 HA ARG 3 HA ARG 3 48.639 9.362 12.194 26 HB2 ARG 3 HB2 ARG 3 46.071 10.944 11.726 27 HB3 ARG 3 HB1 ARG 3 46.496 10.061 13.213 28 HG2 ARG 3 HG2 ARG 3 48.590 11.493 13.356 29 HG3 ARG 3 HG1 ARG 3 47.937 12.465 12.016 30 HD2 ARG 3 HD2 ARG 3 46.456 11.953 14.632 31 HD3 ARG 3 HD1 ARG 3 47.428 13.406 14.300 32 HE ARG 3 HE ARG 3 45.845 13.899 12.408 33 HH11 ARG 3 HH11 ARG 3 44.131 11.914 11.705 34 HH12 ARG 3 HH12 ARG 3 42.784 11.969 12.793 35 HH21 ARG 3 HH21 ARG 3 44.448 13.860 15.177 36 HH22 ARG 3 HH22 ARG 3 42.964 13.070 14.759 37 H ARG 4 HN ARG 4 47.167 9.178 9.171 38 HA ARG 4 HA ARG 4 46.485 6.385 9.541 39 HB2 ARG 4 HB2 ARG 4 44.489 7.773 10.539 40 HB3 ARG 4 HB1 ARG 4 44.112 8.151 8.846 41 HG2 ARG 4 HG2 ARG 4 42.834 6.207 9.129 42 HG3 ARG 4 HG1 ARG 4 44.350 5.494 8.535 43 HD2 ARG 4 HD2 ARG 4 43.522 4.272 10.517 44 HD3 ARG 4 HD1 ARG 4 45.063 5.080 10.887 45 HE ARG 4 HE ARG 4 43.892 6.332 12.499 46 HH11 ARG 4 HH11 ARG 4 41.671 4.391 10.890 47 HH12 ARG 4 HH12 ARG 4 40.289 5.371 11.253 48 HH21 ARG 4 HH21 ARG 4 42.149 7.962 12.611 49 HH22 ARG 4 HH22 ARG 4 40.560 7.391 12.228 50 H ILE 5 HN ILE 5 47.724 8.783 7.866 51 HA ILE 5 HA ILE 5 48.296 9.075 5.647 52 HB ILE 5 HB ILE 5 47.067 6.350 5.052 53 HG12 ILE 5 HG12 ILE 5 49.827 7.028 6.173 54 HG13 ILE 5 HG11 ILE 5 48.539 6.149 7.029 55 HG21 ILE 5 HG21 ILE 5 49.524 7.696 3.859 56 HG22 ILE 5 HG22 ILE 5 47.892 7.933 3.194 57 HG23 ILE 5 HG23 ILE 5 48.610 6.308 3.222 58 HD11 ILE 5 HD1 ILE 5 49.947 4.428 6.198 59 HD12 ILE 5 HD2 ILE 5 50.176 5.249 4.636 60 HD13 ILE 5 HD3 ILE 5 48.613 4.487 5.021 61 H GLY 6 HN GLY 6 45.389 7.033 5.134 62 HA2 GLY 6 HA1 GLY 6 44.324 8.974 3.242 63 HA3 GLY 6 HA2 GLY 6 43.547 7.474 3.786 64 H LYS 7 HN LYS 7 44.724 10.138 5.835 65 HA LYS 7 HA LYS 7 42.362 10.230 7.413 66 HB2 LYS 7 HB2 LYS 7 44.522 11.203 8.116 67 HB3 LYS 7 HB1 LYS 7 44.365 12.457 6.863 68 HG2 LYS 7 HG2 LYS 7 42.399 13.381 7.916 69 HG3 LYS 7 HG1 LYS 7 42.281 12.004 9.037 70 HD2 LYS 7 HD2 LYS 7 44.467 12.644 10.037 71 HD3 LYS 7 HD1 LYS 7 44.547 14.043 8.939 72 HE2 LYS 7 HE2 LYS 7 42.430 14.915 9.897 73 HE3 LYS 7 HE1 LYS 7 42.363 13.525 11.006 74 HZ1 LYS 7 HZ1 LYS 7 44.356 15.722 10.931 75 HZ2 LYS 7 HZ2 LYS 7 44.652 14.264 11.754 76 HZ3 LYS 7 HZ3 LYS 7 43.351 15.256 12.215 77 H GLY 8 HN GLY 8 43.358 12.175 4.583 78 HA2 GLY 8 HA1 GLY 8 40.583 12.599 3.829 79 HA3 GLY 8 HA2 GLY 8 41.323 14.062 4.511 80 H VAL 9 HN VAL 9 40.502 12.770 1.696 81 HA VAL 9 HA VAL 9 42.878 12.819 0.114 82 HB VAL 9 HB VAL 9 40.048 13.568 -0.751 83 HG11 VAL 9 HG11 VAL 9 41.609 14.193 -2.466 84 HG12 VAL 9 HG12 VAL 9 40.948 12.619 -2.961 85 HG13 VAL 9 HG13 VAL 9 42.569 12.714 -2.233 86 HG21 VAL 9 HG21 VAL 9 41.472 10.866 -0.760 87 HG22 VAL 9 HG22 VAL 9 39.817 11.190 -1.328 88 HG23 VAL 9 HG23 VAL 9 40.210 11.346 0.401 89 H LYS 10 HN LYS 10 41.099 15.335 1.641 90 HA LYS 10 HA LYS 10 41.416 17.614 1.713 91 HB2 LYS 10 HB2 LYS 10 43.847 16.952 1.779 92 HB3 LYS 10 HB1 LYS 10 43.903 17.166 0.018 93 HG2 LYS 10 HG2 LYS 10 42.721 19.523 1.420 94 HG3 LYS 10 HG1 LYS 10 44.389 19.185 1.919 95 HD2 LYS 10 HD2 LYS 10 45.106 19.189 -0.457 96 HD3 LYS 10 HD1 LYS 10 43.437 19.542 -0.958 97 HE2 LYS 10 HE2 LYS 10 43.462 21.668 0.215 98 HE3 LYS 10 HE1 LYS 10 45.041 21.296 0.948 99 HZ1 LYS 10 HZ1 LYS 10 44.829 22.739 -1.232 100 HZ2 LYS 10 HZ2 LYS 10 44.827 21.212 -1.977 101 HZ3 LYS 10 HZ3 LYS 10 46.133 21.680 -0.995 102 H ILE 11 HN ILE 11 41.119 15.933 -1.256 103 HA ILE 11 HA ILE 11 40.269 18.481 -2.645 104 HB ILE 11 HB ILE 11 41.265 15.956 -4.014 105 HG12 ILE 11 HG12 ILE 11 42.809 18.476 -3.244 106 HG13 ILE 11 HG11 ILE 11 43.089 16.837 -2.616 107 HG21 ILE 11 HG21 ILE 11 41.176 18.829 -5.028 108 HG22 ILE 11 HG22 ILE 11 39.811 17.706 -5.229 109 HG23 ILE 11 HG23 ILE 11 41.380 17.337 -5.975 110 HD11 ILE 11 HD1 ILE 11 43.435 16.159 -5.112 111 HD12 ILE 11 HD2 ILE 11 44.729 17.080 -4.310 112 HD13 ILE 11 HD3 ILE 11 43.601 17.907 -5.410 113 H ILE 12 HN ILE 12 39.777 14.933 -2.399 114 HA ILE 12 HA ILE 12 37.087 15.239 -3.655 115 HB ILE 12 HB ILE 12 38.590 12.762 -2.728 116 HG12 ILE 12 HG12 ILE 12 38.248 13.870 -5.558 117 HG13 ILE 12 HG11 ILE 12 39.709 14.092 -4.574 118 HG21 ILE 12 HG21 ILE 12 36.922 11.685 -4.428 119 HG22 ILE 12 HG22 ILE 12 36.013 13.205 -4.293 120 HG23 ILE 12 HG23 ILE 12 36.274 12.189 -2.857 121 HD11 ILE 12 HD1 ILE 12 38.693 11.610 -5.952 122 HD12 ILE 12 HD2 ILE 12 39.515 11.383 -4.390 123 HD13 ILE 12 HD3 ILE 12 40.360 12.183 -5.733 124 H GLY 13 HN GLY 13 37.666 12.687 -1.309 125 HA2 GLY 13 HA1 GLY 13 35.347 13.289 0.229 126 HA3 GLY 13 HA2 GLY 13 36.728 12.312 0.781 127 H GLY 14 HN GLY 14 38.184 14.881 -0.224 128 HA2 GLY 14 HA1 GLY 14 38.432 16.115 2.447 129 HA3 GLY 14 HA2 GLY 14 39.389 16.478 0.996 130 H ALA 15 HN ALA 15 37.490 17.057 -0.924 131 HA ALA 15 HA ALA 15 36.484 19.666 0.143 132 HB1 ALA 15 HB1 ALA 15 36.040 20.234 -2.130 133 HB2 ALA 15 HB2 ALA 15 36.133 18.537 -2.654 134 HB3 ALA 15 HB3 ALA 15 37.606 19.395 -2.132 135 H ALA 16 HN ALA 16 35.478 17.073 1.072 136 HA ALA 16 HA ALA 16 33.414 16.313 1.783 137 HB1 ALA 16 HB1 ALA 16 31.925 18.234 -0.018 138 HB2 ALA 16 HB2 ALA 16 32.766 18.841 1.428 139 HB3 ALA 16 HB3 ALA 16 31.484 17.617 1.592 140 H LEU 17 HN LEU 17 34.886 15.109 -0.295 141 HA LEU 17 HA LEU 17 34.553 13.504 -1.947 142 HB2 LEU 17 HB2 LEU 17 32.645 12.937 -0.219 143 HB3 LEU 17 HB1 LEU 17 31.563 13.602 -1.462 144 HG LEU 17 HG LEU 17 32.908 11.969 -3.093 145 HD11 LEU 17 HD11 LEU 17 33.561 9.858 -1.908 146 HD12 LEU 17 HD12 LEU 17 33.321 10.682 -0.351 147 HD13 LEU 17 HD13 LEU 17 34.598 11.229 -1.461 148 HD21 LEU 17 HD21 LEU 17 30.839 11.042 -1.049 149 HD22 LEU 17 HD22 LEU 17 31.281 10.128 -2.512 150 HD23 LEU 17 HD23 LEU 17 30.521 11.731 -2.659 151 H ASP 18 HN ASP 18 34.403 16.383 -2.549 152 HA ASP 18 HA ASP 18 33.919 17.749 -4.356 153 HB2 ASP 18 HB2 ASP 18 35.118 15.986 -5.579 154 HB3 ASP 18 HB1 ASP 18 33.604 15.071 -5.772 155 H HIS 19 HN HIS 19 31.809 15.091 -5.445 156 HA HIS 19 HA HIS 19 29.634 16.669 -6.177 157 HB2 HIS 19 HB2 HIS 19 29.551 13.882 -4.955 158 HB3 HIS 19 HB1 HIS 19 28.248 14.639 -5.904 159 HD1 HIS 19 HD1 HIS 19 31.405 12.731 -6.218 160 HD2 HIS 19 HD2 HIS 19 29.061 15.203 -8.687 161 HE1 HIS 19 HE1 HIS 19 32.159 12.336 -8.628 162 H LEU 20 HN LEU 20 29.749 14.786 -3.109 163 HA LEU 20 HA LEU 20 27.568 16.358 -1.980 164 HB2 LEU 20 HB2 LEU 20 29.492 14.592 -0.430 165 HB3 LEU 20 HB1 LEU 20 27.791 14.967 -0.065 166 HG LEU 20 HG LEU 20 28.797 13.346 -2.449 167 HD11 LEU 20 HD11 LEU 20 27.133 12.470 -0.052 168 HD12 LEU 20 HD12 LEU 20 28.897 12.263 -0.153 169 HD13 LEU 20 HD13 LEU 20 27.837 11.437 -1.318 170 HD21 LEU 20 HD21 LEU 20 26.029 14.274 -1.574 171 HD22 LEU 20 HD22 LEU 20 26.259 12.865 -2.637 172 HD23 LEU 20 HD23 LEU 20 26.808 14.472 -3.162 Start of MODEL 53 1 H1 TRP 1 HT1 TRP 1 35.158 7.981 14.047 2 H2 TRP 1 HT2 TRP 1 33.940 8.924 14.764 3 H3 TRP 1 HT3 TRP 1 35.090 8.133 15.734 4 HA TRP 1 HA TRP 1 35.762 10.327 15.713 5 HB2 TRP 1 HB2 TRP 1 37.251 8.609 13.695 6 HB3 TRP 1 HB1 TRP 1 37.824 10.241 14.127 7 HD1 TRP 1 HD1 TRP 1 38.033 10.602 16.934 8 HE1 TRP 1 HE1 TRP 1 39.080 8.985 18.681 9 HE3 TRP 1 HE3 TRP 1 37.779 6.244 14.257 10 HZ2 TRP 1 HZ2 TRP 1 39.710 6.181 18.860 11 HZ3 TRP 1 HZ3 TRP 1 38.609 4.111 15.237 12 HH2 TRP 1 HH2 TRP 1 39.573 4.076 17.533 13 H LEU 2 HN LEU 2 36.202 12.297 14.634 14 HA LEU 2 HA LEU 2 35.064 12.553 11.874 15 HB2 LEU 2 HB2 LEU 2 34.414 14.397 14.189 16 HB3 LEU 2 HB1 LEU 2 33.919 14.599 12.491 17 HG LEU 2 HG LEU 2 33.179 12.156 14.164 18 HD11 LEU 2 HD11 LEU 2 32.253 14.218 15.190 19 HD12 LEU 2 HD12 LEU 2 30.970 13.212 14.474 20 HD13 LEU 2 HD13 LEU 2 31.538 14.669 13.623 21 HD21 LEU 2 HD21 LEU 2 32.921 11.645 11.843 22 HD22 LEU 2 HD22 LEU 2 32.308 13.270 11.463 23 HD23 LEU 2 HD23 LEU 2 31.294 12.124 12.367 24 H ARG 3 HN ARG 3 37.558 13.010 14.024 25 HA ARG 3 HA ARG 3 38.567 15.578 13.600 26 HB2 ARG 3 HB2 ARG 3 39.644 13.656 14.903 27 HB3 ARG 3 HB1 ARG 3 40.286 13.079 13.347 28 HG2 ARG 3 HG2 ARG 3 41.393 15.274 12.994 29 HG3 ARG 3 HG1 ARG 3 40.766 15.837 14.562 30 HD2 ARG 3 HD2 ARG 3 42.016 14.091 15.736 31 HD3 ARG 3 HD1 ARG 3 42.567 13.404 14.190 32 HE ARG 3 HE ARG 3 43.770 15.644 15.540 33 HH11 ARG 3 HH11 ARG 3 44.099 13.710 12.895 34 HH12 ARG 3 HH12 ARG 3 44.742 14.919 11.834 35 HH21 ARG 3 HH21 ARG 3 44.051 17.552 13.980 36 HH22 ARG 3 HH22 ARG 3 44.713 17.093 12.448 37 H ARG 4 HN ARG 4 37.911 13.121 11.318 38 HA ARG 4 HA ARG 4 39.147 14.761 9.125 39 HB2 ARG 4 HB2 ARG 4 39.128 11.729 9.425 40 HB3 ARG 4 HB1 ARG 4 39.574 12.594 7.935 41 HG2 ARG 4 HG2 ARG 4 41.404 13.736 9.102 42 HG3 ARG 4 HG1 ARG 4 40.931 12.975 10.639 43 HD2 ARG 4 HD2 ARG 4 42.776 11.696 9.721 44 HD3 ARG 4 HD1 ARG 4 41.298 10.721 9.543 45 HE ARG 4 HE ARG 4 41.507 12.140 7.147 46 HH11 ARG 4 HH11 ARG 4 41.604 9.272 6.924 47 HH12 ARG 4 HH12 ARG 4 43.240 8.931 6.467 48 HH21 ARG 4 HH21 ARG 4 44.440 12.033 7.451 49 HH22 ARG 4 HH22 ARG 4 44.846 10.496 6.765 50 H ILE 5 HN ILE 5 36.361 13.454 10.582 51 HA ILE 5 HA ILE 5 34.190 13.214 9.795 52 HB ILE 5 HB ILE 5 35.039 14.788 7.329 53 HG12 ILE 5 HG12 ILE 5 34.348 15.788 10.130 54 HG13 ILE 5 HG11 ILE 5 35.915 15.956 9.304 55 HG21 ILE 5 HG21 ILE 5 32.434 14.864 8.905 56 HG22 ILE 5 HG22 ILE 5 32.705 13.723 7.567 57 HG23 ILE 5 HG23 ILE 5 32.744 15.474 7.262 58 HD11 ILE 5 HD1 ILE 5 34.578 17.191 7.441 59 HD12 ILE 5 HD2 ILE 5 34.860 18.056 8.969 60 HD13 ILE 5 HD3 ILE 5 33.277 17.311 8.650 61 H GLY 6 HN GLY 6 35.313 10.939 9.484 62 HA2 GLY 6 HA1 GLY 6 35.194 8.978 8.260 63 HA3 GLY 6 HA2 GLY 6 34.133 9.822 7.114 64 H LYS 7 HN LYS 7 37.550 10.265 8.110 65 HA LYS 7 HA LYS 7 39.471 10.435 6.829 66 HB2 LYS 7 HB2 LYS 7 38.013 8.623 4.865 67 HB3 LYS 7 HB1 LYS 7 39.771 8.845 5.025 68 HG2 LYS 7 HG2 LYS 7 39.585 8.012 7.407 69 HG3 LYS 7 HG1 LYS 7 37.880 7.618 7.075 70 HD2 LYS 7 HD2 LYS 7 38.620 6.171 5.172 71 HD3 LYS 7 HD1 LYS 7 40.313 6.507 5.608 72 HE2 LYS 7 HE2 LYS 7 39.507 4.349 6.570 73 HE3 LYS 7 HE1 LYS 7 39.965 5.516 7.833 74 HZ1 LYS 7 HZ1 LYS 7 37.759 5.951 8.338 75 HZ2 LYS 7 HZ2 LYS 7 37.741 4.278 8.046 76 HZ3 LYS 7 HZ3 LYS 7 37.177 5.355 6.860 77 H GLY 8 HN GLY 8 40.418 11.355 4.887 78 HA2 GLY 8 HA1 GLY 8 38.804 12.403 2.763 79 HA3 GLY 8 HA2 GLY 8 39.038 13.655 3.998 80 H VAL 9 HN VAL 9 40.105 12.808 1.111 81 HA VAL 9 HA VAL 9 42.960 12.652 1.430 82 HB VAL 9 HB VAL 9 41.308 13.664 -0.930 83 HG11 VAL 9 HG11 VAL 9 44.244 12.911 -0.618 84 HG12 VAL 9 HG12 VAL 9 43.571 14.455 -1.195 85 HG13 VAL 9 HG13 VAL 9 43.430 12.993 -2.198 86 HG21 VAL 9 HG21 VAL 9 40.849 11.311 -0.201 87 HG22 VAL 9 HG22 VAL 9 42.582 10.947 -0.374 88 HG23 VAL 9 HG23 VAL 9 41.620 11.390 -1.803 89 H LYS 10 HN LYS 10 41.544 15.351 -0.383 90 HA LYS 10 HA LYS 10 42.247 17.400 1.522 91 HB2 LYS 10 HB2 LYS 10 44.550 16.607 0.866 92 HB3 LYS 10 HB1 LYS 10 44.181 17.089 -0.807 93 HG2 LYS 10 HG2 LYS 10 43.800 19.408 -0.084 94 HG3 LYS 10 HG1 LYS 10 44.085 18.947 1.611 95 HD2 LYS 10 HD2 LYS 10 46.391 18.264 1.053 96 HD3 LYS 10 HD1 LYS 10 46.112 18.685 -0.653 97 HE2 LYS 10 HE2 LYS 10 46.055 20.588 1.728 98 HE3 LYS 10 HE1 LYS 10 47.272 20.541 0.430 99 HZ1 LYS 10 HZ1 LYS 10 44.422 21.342 0.257 100 HZ2 LYS 10 HZ2 LYS 10 45.314 20.915 -1.124 101 HZ3 LYS 10 HZ3 LYS 10 45.799 22.235 -0.171 102 H ILE 11 HN ILE 11 41.441 16.272 -1.675 103 HA ILE 11 HA ILE 11 40.209 18.961 -2.296 104 HB ILE 11 HB ILE 11 41.206 16.971 -4.371 105 HG12 ILE 11 HG12 ILE 11 42.645 19.362 -3.132 106 HG13 ILE 11 HG11 ILE 11 43.142 17.657 -3.034 107 HG21 ILE 11 HG21 ILE 11 40.752 19.977 -4.587 108 HG22 ILE 11 HG22 ILE 11 39.463 18.792 -4.905 109 HG23 ILE 11 HG23 ILE 11 40.932 18.796 -5.906 110 HD11 ILE 11 HD1 ILE 11 43.146 19.494 -5.454 111 HD12 ILE 11 HD2 ILE 11 43.175 17.723 -5.640 112 HD13 ILE 11 HD3 ILE 11 44.491 18.550 -4.773 113 H ILE 12 HN ILE 12 40.116 15.454 -3.081 114 HA ILE 12 HA ILE 12 37.348 15.609 -3.986 115 HB ILE 12 HB ILE 12 39.035 13.232 -3.142 116 HG12 ILE 12 HG12 ILE 12 40.186 14.419 -4.915 117 HG13 ILE 12 HG11 ILE 12 39.467 12.957 -5.619 118 HG21 ILE 12 HG21 ILE 12 36.317 13.499 -4.459 119 HG22 ILE 12 HG22 ILE 12 36.887 12.313 -3.266 120 HG23 ILE 12 HG23 ILE 12 37.362 12.152 -4.970 121 HD11 ILE 12 HD1 ILE 12 38.910 14.622 -7.195 122 HD12 ILE 12 HD2 ILE 12 38.614 15.850 -5.946 123 HD13 ILE 12 HD3 ILE 12 37.439 14.539 -6.202 124 H GLY 13 HN GLY 13 38.139 13.017 -1.748 125 HA2 GLY 13 HA1 GLY 13 35.808 13.312 -0.181 126 HA3 GLY 13 HA2 GLY 13 37.303 12.517 0.355 127 H GLY 14 HN GLY 14 38.460 15.230 -0.572 128 HA2 GLY 14 HA1 GLY 14 38.590 16.429 2.109 129 HA3 GLY 14 HA2 GLY 14 39.429 16.981 0.642 130 H ALA 15 HN ALA 15 37.377 17.352 -1.177 131 HA ALA 15 HA ALA 15 36.045 19.741 0.042 132 HB1 ALA 15 HB1 ALA 15 35.866 18.668 -2.800 133 HB2 ALA 15 HB2 ALA 15 37.072 19.858 -2.244 134 HB3 ALA 15 HB3 ALA 15 35.341 20.264 -2.217 135 H ALA 16 HN ALA 16 35.476 16.988 0.863 136 HA ALA 16 HA ALA 16 33.579 15.897 1.603 137 HB1 ALA 16 HB1 ALA 16 32.538 18.306 1.381 138 HB2 ALA 16 HB2 ALA 16 31.466 16.893 1.523 139 HB3 ALA 16 HB3 ALA 16 31.751 17.635 -0.067 140 H LEU 17 HN LEU 17 35.157 15.108 -0.659 141 HA LEU 17 HA LEU 17 35.011 13.641 -2.463 142 HB2 LEU 17 HB2 LEU 17 33.508 12.574 -0.481 143 HB3 LEU 17 HB1 LEU 17 32.224 12.773 -1.688 144 HG LEU 17 HG LEU 17 34.869 11.315 -2.177 145 HD11 LEU 17 HD11 LEU 17 33.576 9.262 -2.013 146 HD12 LEU 17 HD12 LEU 17 32.068 10.180 -1.784 147 HD13 LEU 17 HD13 LEU 17 33.325 10.202 -0.524 148 HD21 LEU 17 HD21 LEU 17 32.308 11.596 -3.816 149 HD22 LEU 17 HD22 LEU 17 33.637 10.481 -4.205 150 HD23 LEU 17 HD23 LEU 17 33.914 12.237 -4.239 151 H ASP 18 HN ASP 18 34.398 16.231 -3.117 152 HA ASP 18 HA ASP 18 33.352 17.506 -4.744 153 HB2 ASP 18 HB2 ASP 18 32.761 14.769 -5.941 154 HB3 ASP 18 HB1 ASP 18 32.630 16.325 -6.797 155 H HIS 19 HN HIS 19 31.147 14.727 -5.084 156 HA HIS 19 HA HIS 19 29.028 16.066 -3.532 157 HB2 HIS 19 HB2 HIS 19 27.463 16.237 -5.428 158 HB3 HIS 19 HB1 HIS 19 28.894 17.261 -5.695 159 HD1 HIS 19 HD1 HIS 19 30.862 14.919 -6.535 160 HD2 HIS 19 HD2 HIS 19 27.000 15.493 -8.092 161 HE1 HIS 19 HE1 HIS 19 30.798 13.816 -8.839 162 H LEU 20 HN LEU 20 30.313 13.642 -3.121 163 HA LEU 20 HA LEU 20 29.881 11.386 -2.833 164 HB2 LEU 20 HB2 LEU 20 27.763 12.646 -1.859 165 HB3 LEU 20 HB1 LEU 20 26.924 11.921 -3.247 166 HG LEU 20 HG LEU 20 28.490 10.431 -1.089 167 HD11 LEU 20 HD11 LEU 20 25.523 10.436 -1.803 168 HD12 LEU 20 HD12 LEU 20 26.245 11.305 -0.426 169 HD13 LEU 20 HD13 LEU 20 26.290 9.527 -0.479 170 HD21 LEU 20 HD21 LEU 20 27.414 8.404 -2.316 171 HD22 LEU 20 HD22 LEU 20 28.818 9.172 -3.088 172 HD23 LEU 20 HD23 LEU 20 27.175 9.521 -3.682 Start of MODEL 54 1 H1 TRP 1 HT1 TRP 1 25.497 10.477 7.110 2 H2 TRP 1 HT2 TRP 1 26.131 9.908 5.640 3 H3 TRP 1 HT3 TRP 1 25.623 11.523 5.783 4 HA TRP 1 HA TRP 1 27.822 11.821 5.994 5 HB2 TRP 1 HB2 TRP 1 26.919 11.078 8.806 6 HB3 TRP 1 HB1 TRP 1 28.356 12.046 8.402 7 HD1 TRP 1 HD1 TRP 1 24.559 12.142 7.578 8 HE1 TRP 1 HE1 TRP 1 23.758 14.616 7.608 9 HE3 TRP 1 HE3 TRP 1 29.024 14.425 8.603 10 HZ2 TRP 1 HZ2 TRP 1 24.926 17.214 8.026 11 HZ3 TRP 1 HZ3 TRP 1 29.159 16.902 8.813 12 HH2 TRP 1 HH2 TRP 1 27.115 18.298 8.526 13 H LEU 2 HN LEU 2 29.948 11.071 6.473 14 HA LEU 2 HA LEU 2 30.239 8.211 6.042 15 HB2 LEU 2 HB2 LEU 2 32.427 10.136 6.893 16 HB3 LEU 2 HB1 LEU 2 32.582 8.644 5.937 17 HG LEU 2 HG LEU 2 31.141 11.188 5.057 18 HD11 LEU 2 HD11 LEU 2 32.992 11.453 3.499 19 HD12 LEU 2 HD12 LEU 2 33.704 9.906 4.016 20 HD13 LEU 2 HD13 LEU 2 33.660 11.286 5.140 21 HD21 LEU 2 HD21 LEU 2 30.013 9.361 4.006 22 HD22 LEU 2 HD22 LEU 2 31.525 8.449 3.777 23 HD23 LEU 2 HD23 LEU 2 31.202 9.903 2.800 24 H ARG 3 HN ARG 3 29.566 10.032 8.757 25 HA ARG 3 HA ARG 3 29.440 9.480 10.991 26 HB2 ARG 3 HB2 ARG 3 30.567 6.731 10.359 27 HB3 ARG 3 HB1 ARG 3 29.550 7.222 11.730 28 HG2 ARG 3 HG2 ARG 3 27.759 7.860 9.988 29 HG3 ARG 3 HG1 ARG 3 28.748 6.973 8.804 30 HD2 ARG 3 HD2 ARG 3 27.337 5.906 11.267 31 HD3 ARG 3 HD1 ARG 3 27.217 5.342 9.583 32 HE ARG 3 HE ARG 3 29.175 4.459 11.508 33 HH11 ARG 3 HH11 ARG 3 28.239 4.553 8.247 34 HH12 ARG 3 HH12 ARG 3 29.721 3.896 7.638 35 HH21 ARG 3 HH21 ARG 3 31.316 3.944 10.716 36 HH22 ARG 3 HH22 ARG 3 31.462 3.550 9.036 37 H ARG 4 HN ARG 4 32.431 8.676 9.271 38 HA ARG 4 HA ARG 4 34.051 8.759 11.717 39 HB2 ARG 4 HB2 ARG 4 34.771 8.749 8.760 40 HB3 ARG 4 HB1 ARG 4 35.958 8.689 10.086 41 HG2 ARG 4 HG2 ARG 4 34.812 6.632 10.959 42 HG3 ARG 4 HG1 ARG 4 33.744 6.665 9.535 43 HD2 ARG 4 HD2 ARG 4 35.641 6.397 8.032 44 HD3 ARG 4 HD1 ARG 4 36.787 6.551 9.387 45 HE ARG 4 HE ARG 4 36.410 4.270 9.832 46 HH11 ARG 4 HH11 ARG 4 35.332 3.960 7.023 47 HH12 ARG 4 HH12 ARG 4 33.802 3.204 7.320 48 HH21 ARG 4 HH21 ARG 4 33.757 4.013 10.692 49 HH22 ARG 4 HH22 ARG 4 32.911 3.234 9.396 50 H ILE 5 HN ILE 5 32.994 10.959 9.181 51 HA ILE 5 HA ILE 5 33.386 13.224 8.862 52 HB ILE 5 HB ILE 5 33.882 13.364 11.866 53 HG12 ILE 5 HG12 ILE 5 31.226 13.170 10.367 54 HG13 ILE 5 HG11 ILE 5 31.903 11.933 11.450 55 HG21 ILE 5 HG21 ILE 5 32.372 15.277 10.039 56 HG22 ILE 5 HG22 ILE 5 34.127 15.405 10.310 57 HG23 ILE 5 HG23 ILE 5 33.002 15.583 11.674 58 HD11 ILE 5 HD1 ILE 5 31.957 13.814 13.249 59 HD12 ILE 5 HD2 ILE 5 30.373 13.124 12.821 60 HD13 ILE 5 HD3 ILE 5 30.865 14.697 12.155 61 H GLY 6 HN GLY 6 35.520 12.100 7.966 62 HA2 GLY 6 HA1 GLY 6 37.615 13.952 8.367 63 HA3 GLY 6 HA2 GLY 6 37.961 12.552 9.401 64 H LYS 7 HN LYS 7 36.785 10.563 7.693 65 HA LYS 7 HA LYS 7 39.003 9.821 6.139 66 HB2 LYS 7 HB2 LYS 7 37.055 8.358 6.776 67 HB3 LYS 7 HB1 LYS 7 36.101 9.159 5.504 68 HG2 LYS 7 HG2 LYS 7 37.727 8.439 3.797 69 HG3 LYS 7 HG1 LYS 7 38.732 7.681 5.055 70 HD2 LYS 7 HD2 LYS 7 36.914 6.131 5.621 71 HD3 LYS 7 HD1 LYS 7 35.842 6.924 4.440 72 HE2 LYS 7 HE2 LYS 7 36.752 4.933 3.392 73 HE3 LYS 7 HE1 LYS 7 37.531 6.347 2.642 74 HZ1 LYS 7 HZ1 LYS 7 38.959 4.357 3.467 75 HZ2 LYS 7 HZ2 LYS 7 38.774 5.078 4.995 76 HZ3 LYS 7 HZ3 LYS 7 39.500 5.943 3.726 77 H GLY 8 HN GLY 8 39.934 11.218 4.734 78 HA2 GLY 8 HA1 GLY 8 38.611 11.643 2.203 79 HA3 GLY 8 HA2 GLY 8 38.661 13.142 3.149 80 H VAL 9 HN VAL 9 39.993 14.119 1.578 81 HA VAL 9 HA VAL 9 42.875 13.383 1.908 82 HB VAL 9 HB VAL 9 41.520 13.824 -0.796 83 HG11 VAL 9 HG11 VAL 9 43.695 14.859 -0.854 84 HG12 VAL 9 HG12 VAL 9 43.882 13.262 -1.618 85 HG13 VAL 9 HG13 VAL 9 44.429 13.518 0.057 86 HG21 VAL 9 HG21 VAL 9 41.151 11.563 0.095 87 HG22 VAL 9 HG22 VAL 9 42.884 11.403 0.469 88 HG23 VAL 9 HG23 VAL 9 42.344 11.497 -1.224 89 H LYS 10 HN LYS 10 41.412 15.592 -0.473 90 HA LYS 10 HA LYS 10 41.647 17.942 1.196 91 HB2 LYS 10 HB2 LYS 10 44.085 17.314 0.816 92 HB3 LYS 10 HB1 LYS 10 43.820 17.657 -0.909 93 HG2 LYS 10 HG2 LYS 10 43.081 19.961 -0.326 94 HG3 LYS 10 HG1 LYS 10 43.395 19.615 1.391 95 HD2 LYS 10 HD2 LYS 10 45.758 19.297 0.969 96 HD3 LYS 10 HD1 LYS 10 45.504 19.370 -0.791 97 HE2 LYS 10 HE2 LYS 10 44.849 21.705 -0.667 98 HE3 LYS 10 HE1 LYS 10 44.853 21.660 1.112 99 HZ1 LYS 10 HZ1 LYS 10 47.112 21.703 -0.764 100 HZ2 LYS 10 HZ2 LYS 10 47.308 20.866 0.701 101 HZ3 LYS 10 HZ3 LYS 10 46.913 22.518 0.709 102 H ILE 11 HN ILE 11 41.270 16.348 -1.889 103 HA ILE 11 HA ILE 11 40.020 18.848 -3.037 104 HB ILE 11 HB ILE 11 40.996 16.425 -4.596 105 HG12 ILE 11 HG12 ILE 11 42.883 18.323 -5.175 106 HG13 ILE 11 HG11 ILE 11 42.525 18.804 -3.502 107 HG21 ILE 11 HG21 ILE 11 39.338 17.876 -5.705 108 HG22 ILE 11 HG22 ILE 11 40.929 18.052 -6.481 109 HG23 ILE 11 HG23 ILE 11 40.339 19.307 -5.365 110 HD11 ILE 11 HD1 ILE 11 43.635 16.174 -4.536 111 HD12 ILE 11 HD2 ILE 11 42.840 16.257 -2.950 112 HD13 ILE 11 HD3 ILE 11 44.287 17.240 -3.271 113 H ILE 12 HN ILE 12 39.767 15.268 -2.941 114 HA ILE 12 HA ILE 12 36.940 15.458 -3.875 115 HB ILE 12 HB ILE 12 38.725 13.072 -3.267 116 HG12 ILE 12 HG12 ILE 12 37.888 13.925 -6.071 117 HG13 ILE 12 HG11 ILE 12 39.255 14.746 -5.287 118 HG21 ILE 12 HG21 ILE 12 36.575 12.133 -3.165 119 HG22 ILE 12 HG22 ILE 12 36.848 12.024 -4.913 120 HG23 ILE 12 HG23 ILE 12 35.869 13.351 -4.252 121 HD11 ILE 12 HD1 ILE 12 39.107 11.713 -5.435 122 HD12 ILE 12 HD2 ILE 12 40.523 12.742 -5.125 123 HD13 ILE 12 HD3 ILE 12 39.802 12.686 -6.750 124 H GLY 13 HN GLY 13 37.914 12.814 -1.792 125 HA2 GLY 13 HA1 GLY 13 35.749 13.099 0.009 126 HA3 GLY 13 HA2 GLY 13 37.269 12.251 0.362 127 H GLY 14 HN GLY 14 38.415 14.960 -0.571 128 HA2 GLY 14 HA1 GLY 14 38.770 16.083 2.132 129 HA3 GLY 14 HA2 GLY 14 39.555 16.618 0.631 130 H ALA 15 HN ALA 15 37.500 17.151 -1.093 131 HA ALA 15 HA ALA 15 36.337 19.570 0.223 132 HB1 ALA 15 HB1 ALA 15 35.659 20.228 -1.966 133 HB2 ALA 15 HB2 ALA 15 35.855 18.581 -2.607 134 HB3 ALA 15 HB3 ALA 15 37.286 19.537 -2.147 135 H ALA 16 HN ALA 16 35.656 16.780 0.979 136 HA ALA 16 HA ALA 16 33.736 15.794 1.806 137 HB1 ALA 16 HB1 ALA 16 31.691 16.918 1.885 138 HB2 ALA 16 HB2 ALA 16 31.919 17.677 0.291 139 HB3 ALA 16 HB3 ALA 16 32.831 18.271 1.699 140 H LEU 17 HN LEU 17 35.116 14.828 -0.399 141 HA LEU 17 HA LEU 17 34.807 13.304 -2.128 142 HB2 LEU 17 HB2 LEU 17 33.028 12.486 -0.388 143 HB3 LEU 17 HB1 LEU 17 31.841 13.209 -1.493 144 HG LEU 17 HG LEU 17 33.158 11.802 -3.352 145 HD11 LEU 17 HD11 LEU 17 33.752 10.268 -0.777 146 HD12 LEU 17 HD12 LEU 17 34.955 10.988 -1.871 147 HD13 LEU 17 HD13 LEU 17 33.956 9.624 -2.421 148 HD21 LEU 17 HD21 LEU 17 30.793 11.452 -2.768 149 HD22 LEU 17 HD22 LEU 17 31.267 10.542 -1.312 150 HD23 LEU 17 HD23 LEU 17 31.617 9.883 -2.927 151 H ASP 18 HN ASP 18 34.514 16.183 -2.550 152 HA ASP 18 HA ASP 18 33.916 17.632 -4.251 153 HB2 ASP 18 HB2 ASP 18 35.035 15.868 -5.613 154 HB3 ASP 18 HB1 ASP 18 33.458 15.080 -5.847 155 H HIS 19 HN HIS 19 31.747 14.983 -5.278 156 HA HIS 19 HA HIS 19 29.519 16.662 -5.710 157 HB2 HIS 19 HB2 HIS 19 29.547 13.722 -4.918 158 HB3 HIS 19 HB1 HIS 19 28.184 14.586 -5.672 159 HD1 HIS 19 HD1 HIS 19 30.677 12.322 -6.638 160 HD2 HIS 19 HD2 HIS 19 29.576 16.089 -8.146 161 HE1 HIS 19 HE1 HIS 19 31.485 12.439 -9.060 162 H LEU 20 HN LEU 20 29.953 14.389 -2.943 163 HA LEU 20 HA LEU 20 29.081 16.395 -1.035 164 HB2 LEU 20 HB2 LEU 20 26.927 15.580 -0.443 165 HB3 LEU 20 HB1 LEU 20 26.909 15.726 -2.212 166 HG LEU 20 HG LEU 20 27.234 13.174 -0.570 167 HD11 LEU 20 HD11 LEU 20 24.930 14.113 -0.911 168 HD12 LEU 20 HD12 LEU 20 25.162 12.525 -1.682 169 HD13 LEU 20 HD13 LEU 20 25.188 14.008 -2.669 170 HD21 LEU 20 HD21 LEU 20 27.240 12.096 -2.915 171 HD22 LEU 20 HD22 LEU 20 28.743 12.905 -2.420 172 HD23 LEU 20 HD23 LEU 20 27.625 13.715 -3.542 Start of MODEL 55 1 H1 TRP 1 HT1 TRP 1 42.679 18.034 11.318 2 H2 TRP 1 HT2 TRP 1 43.102 16.892 10.134 3 H3 TRP 1 HT3 TRP 1 43.870 16.875 11.650 4 HA TRP 1 HA TRP 1 41.631 16.484 12.646 5 HB2 TRP 1 HB2 TRP 1 41.000 15.638 9.795 6 HB3 TRP 1 HB1 TRP 1 39.911 15.621 11.204 7 HD1 TRP 1 HD1 TRP 1 39.819 18.264 12.410 8 HE1 TRP 1 HE1 TRP 1 39.288 20.492 11.175 9 HE3 TRP 1 HE3 TRP 1 40.973 16.833 7.632 10 HZ2 TRP 1 HZ2 TRP 1 39.366 21.483 8.474 11 HZ3 TRP 1 HZ3 TRP 1 40.738 18.436 5.742 12 HH2 TRP 1 HH2 TRP 1 39.935 20.758 6.157 13 H LEU 2 HN LEU 2 40.656 14.055 12.316 14 HA LEU 2 HA LEU 2 43.023 12.340 12.714 15 HB2 LEU 2 HB2 LEU 2 40.110 11.485 12.711 16 HB3 LEU 2 HB1 LEU 2 41.483 10.737 13.563 17 HG LEU 2 HG LEU 2 40.256 13.471 14.139 18 HD11 LEU 2 HD11 LEU 2 39.539 12.468 16.229 19 HD12 LEU 2 HD12 LEU 2 40.433 10.970 15.873 20 HD13 LEU 2 HD13 LEU 2 39.004 11.406 14.905 21 HD21 LEU 2 HD21 LEU 2 41.882 13.307 16.156 22 HD22 LEU 2 HD22 LEU 2 42.594 13.709 14.578 23 HD23 LEU 2 HD23 LEU 2 42.727 12.053 15.218 24 H ARG 3 HN ARG 3 41.240 13.352 10.082 25 HA ARG 3 HA ARG 3 41.096 12.648 7.894 26 HB2 ARG 3 HB2 ARG 3 43.401 10.886 8.797 27 HB3 ARG 3 HB1 ARG 3 42.773 10.836 7.140 28 HG2 ARG 3 HG2 ARG 3 44.663 12.392 7.263 29 HG3 ARG 3 HG1 ARG 3 43.166 13.293 6.938 30 HD2 ARG 3 HD2 ARG 3 43.058 14.148 9.145 31 HD3 ARG 3 HD1 ARG 3 44.168 12.909 9.782 32 HE ARG 3 HE ARG 3 44.941 15.410 8.466 33 HH11 ARG 3 HH11 ARG 3 46.457 13.586 6.817 34 HH12 ARG 3 HH12 ARG 3 47.867 13.233 7.760 35 HH21 ARG 3 HH21 ARG 3 46.479 14.348 10.735 36 HH22 ARG 3 HH22 ARG 3 47.879 13.664 9.978 37 H ARG 4 HN ARG 4 40.602 10.397 10.477 38 HA ARG 4 HA ARG 4 39.228 8.461 8.649 39 HB2 ARG 4 HB2 ARG 4 40.011 8.315 11.588 40 HB3 ARG 4 HB1 ARG 4 39.110 7.050 10.717 41 HG2 ARG 4 HG2 ARG 4 40.976 6.829 9.102 42 HG3 ARG 4 HG1 ARG 4 41.880 8.091 9.975 43 HD2 ARG 4 HD2 ARG 4 41.892 6.699 12.012 44 HD3 ARG 4 HD1 ARG 4 40.946 5.445 11.174 45 HE ARG 4 HE ARG 4 43.246 5.891 9.599 46 HH11 ARG 4 HH11 ARG 4 45.155 6.104 11.515 47 HH12 ARG 4 HH12 ARG 4 45.341 4.549 12.254 48 HH21 ARG 4 HH21 ARG 4 42.304 3.339 11.098 49 HH22 ARG 4 HH22 ARG 4 43.728 2.984 12.019 50 H ILE 5 HN ILE 5 38.640 11.172 10.611 51 HA ILE 5 HA ILE 5 36.234 10.583 11.930 52 HB ILE 5 HB ILE 5 37.447 12.768 12.070 53 HG12 ILE 5 HG12 ILE 5 34.527 13.044 11.211 54 HG13 ILE 5 HG11 ILE 5 35.057 12.479 12.812 55 HG21 ILE 5 HG21 ILE 5 36.055 13.455 9.451 56 HG22 ILE 5 HG22 ILE 5 37.746 12.903 9.521 57 HG23 ILE 5 HG23 ILE 5 37.268 14.412 10.333 58 HD11 ILE 5 HD1 ILE 5 35.426 15.225 11.567 59 HD12 ILE 5 HD2 ILE 5 36.401 14.690 12.956 60 HD13 ILE 5 HD3 ILE 5 34.632 14.803 13.100 61 H GLY 6 HN GLY 6 36.863 10.940 8.499 62 HA2 GLY 6 HA1 GLY 6 34.324 9.785 7.815 63 HA3 GLY 6 HA2 GLY 6 34.274 11.541 7.559 64 H LYS 7 HN LYS 7 37.362 10.043 7.238 65 HA LYS 7 HA LYS 7 38.732 9.771 5.391 66 HB2 LYS 7 HB2 LYS 7 36.138 8.952 4.021 67 HB3 LYS 7 HB1 LYS 7 37.786 8.607 3.445 68 HG2 LYS 7 HG2 LYS 7 38.252 7.179 5.314 69 HG3 LYS 7 HG1 LYS 7 36.808 7.734 6.191 70 HD2 LYS 7 HD2 LYS 7 36.486 5.479 5.165 71 HD3 LYS 7 HD1 LYS 7 35.341 6.685 4.532 72 HE2 LYS 7 HE2 LYS 7 36.533 5.136 2.817 73 HE3 LYS 7 HE1 LYS 7 36.502 6.880 2.470 74 HZ1 LYS 7 HZ1 LYS 7 38.740 5.919 4.070 75 HZ2 LYS 7 HZ2 LYS 7 38.705 7.077 2.828 76 HZ3 LYS 7 HZ3 LYS 7 38.724 5.421 2.449 77 H GLY 8 HN GLY 8 39.646 11.502 4.526 78 HA2 GLY 8 HA1 GLY 8 38.279 12.930 2.358 79 HA3 GLY 8 HA2 GLY 8 38.516 13.903 3.823 80 H VAL 9 HN VAL 9 39.865 12.826 0.912 81 HA VAL 9 HA VAL 9 42.643 12.751 1.538 82 HB VAL 9 HB VAL 9 41.297 13.715 -1.027 83 HG11 VAL 9 HG11 VAL 9 43.524 12.925 -2.014 84 HG12 VAL 9 HG12 VAL 9 44.144 12.871 -0.346 85 HG13 VAL 9 HG13 VAL 9 43.602 14.416 -1.045 86 HG21 VAL 9 HG21 VAL 9 40.665 11.405 -0.277 87 HG22 VAL 9 HG22 VAL 9 42.392 10.974 -0.244 88 HG23 VAL 9 HG23 VAL 9 41.611 11.403 -1.785 89 H LYS 10 HN LYS 10 41.261 15.419 -0.391 90 HA LYS 10 HA LYS 10 41.979 17.488 1.493 91 HB2 LYS 10 HB2 LYS 10 44.268 16.672 0.768 92 HB3 LYS 10 HB1 LYS 10 43.861 17.212 -0.878 93 HG2 LYS 10 HG2 LYS 10 43.502 19.507 -0.063 94 HG3 LYS 10 HG1 LYS 10 43.844 18.984 1.605 95 HD2 LYS 10 HD2 LYS 10 46.128 18.362 0.987 96 HD3 LYS 10 HD1 LYS 10 45.801 18.741 -0.721 97 HE2 LYS 10 HE2 LYS 10 46.990 20.617 0.335 98 HE3 LYS 10 HE1 LYS 10 45.329 21.108 -0.078 99 HZ1 LYS 10 HZ1 LYS 10 45.876 19.972 2.583 100 HZ2 LYS 10 HZ2 LYS 10 44.683 21.085 2.107 101 HZ3 LYS 10 HZ3 LYS 10 46.298 21.586 2.278 102 H ILE 11 HN ILE 11 41.246 16.380 -1.754 103 HA ILE 11 HA ILE 11 39.778 18.966 -2.261 104 HB ILE 11 HB ILE 11 41.186 17.344 -4.420 105 HG12 ILE 11 HG12 ILE 11 42.168 19.816 -2.920 106 HG13 ILE 11 HG11 ILE 11 42.894 18.194 -2.860 107 HG21 ILE 11 HG21 ILE 11 40.734 19.237 -5.819 108 HG22 ILE 11 HG22 ILE 11 40.304 20.261 -4.427 109 HG23 ILE 11 HG23 ILE 11 39.222 18.940 -4.931 110 HD11 ILE 11 HD1 ILE 11 43.113 18.413 -5.449 111 HD12 ILE 11 HD2 ILE 11 44.229 19.363 -4.439 112 HD13 ILE 11 HD3 ILE 11 42.817 20.149 -5.183 113 H ILE 12 HN ILE 12 40.220 15.529 -3.109 114 HA ILE 12 HA ILE 12 37.605 15.325 -4.384 115 HB ILE 12 HB ILE 12 39.484 13.205 -3.298 116 HG12 ILE 12 HG12 ILE 12 39.182 14.236 -6.161 117 HG13 ILE 12 HG11 ILE 12 40.455 14.769 -5.041 118 HG21 ILE 12 HG21 ILE 12 37.289 12.234 -3.653 119 HG22 ILE 12 HG22 ILE 12 38.280 11.758 -5.044 120 HG23 ILE 12 HG23 ILE 12 37.103 13.080 -5.206 121 HD11 ILE 12 HD1 ILE 12 40.122 12.105 -6.429 122 HD12 ILE 12 HD2 ILE 12 40.895 12.120 -4.825 123 HD13 ILE 12 HD3 ILE 12 41.593 13.063 -6.159 124 H GLY 13 HN GLY 13 38.570 12.981 -1.910 125 HA2 GLY 13 HA1 GLY 13 35.992 12.951 -0.670 126 HA3 GLY 13 HA2 GLY 13 37.502 12.333 0.041 127 H GLY 14 HN GLY 14 38.352 15.190 -0.907 128 HA2 GLY 14 HA1 GLY 14 38.124 16.438 1.756 129 HA3 GLY 14 HA2 GLY 14 39.012 17.062 0.347 130 H ALA 15 HN ALA 15 37.046 17.066 -1.631 131 HA ALA 15 HA ALA 15 35.364 19.336 -0.638 132 HB1 ALA 15 HB1 ALA 15 36.501 19.501 -2.849 133 HB2 ALA 15 HB2 ALA 15 34.730 19.603 -2.986 134 HB3 ALA 15 HB3 ALA 15 35.567 18.092 -3.412 135 H ALA 16 HN ALA 16 35.067 16.612 0.344 136 HA ALA 16 HA ALA 16 33.292 15.294 0.999 137 HB1 ALA 16 HB1 ALA 16 31.077 16.015 0.750 138 HB2 ALA 16 HB2 ALA 16 31.379 16.751 -0.841 139 HB3 ALA 16 HB3 ALA 16 31.979 17.544 0.635 140 H LEU 17 HN LEU 17 35.095 14.667 -1.153 141 HA LEU 17 HA LEU 17 35.244 13.139 -2.902 142 HB2 LEU 17 HB2 LEU 17 33.754 11.937 -0.995 143 HB3 LEU 17 HB1 LEU 17 32.534 11.964 -2.282 144 HG LEU 17 HG LEU 17 35.356 10.827 -2.600 145 HD11 LEU 17 HD11 LEU 17 33.953 9.550 -0.973 146 HD12 LEU 17 HD12 LEU 17 34.285 8.626 -2.458 147 HD13 LEU 17 HD13 LEU 17 32.694 9.389 -2.221 148 HD21 LEU 17 HD21 LEU 17 34.305 9.779 -4.640 149 HD22 LEU 17 HD22 LEU 17 34.390 11.553 -4.727 150 HD23 LEU 17 HD23 LEU 17 32.847 10.753 -4.340 151 H ASP 18 HN ASP 18 34.383 15.622 -3.665 152 HA ASP 18 HA ASP 18 33.202 16.760 -5.316 153 HB2 ASP 18 HB2 ASP 18 33.263 14.059 -6.713 154 HB3 ASP 18 HB1 ASP 18 33.159 15.665 -7.474 155 H HIS 19 HN HIS 19 31.517 15.932 -3.272 156 HA HIS 19 HA HIS 19 29.273 15.557 -2.812 157 HB2 HIS 19 HB2 HIS 19 28.855 16.305 -5.732 158 HB3 HIS 19 HB1 HIS 19 27.666 16.418 -4.412 159 HD1 HIS 19 HD1 HIS 19 30.606 18.157 -5.956 160 HD2 HIS 19 HD2 HIS 19 28.306 18.482 -2.451 161 HE1 HIS 19 HE1 HIS 19 31.106 20.439 -4.925 162 H LEU 20 HN LEU 20 30.690 13.248 -3.334 163 HA LEU 20 HA LEU 20 30.381 11.026 -3.911 164 HB2 LEU 20 HB2 LEU 20 28.243 11.520 -2.598 165 HB3 LEU 20 HB1 LEU 20 27.436 11.733 -4.166 166 HG LEU 20 HG LEU 20 28.463 9.351 -4.728 167 HD11 LEU 20 HD11 LEU 20 28.542 7.905 -2.655 168 HD12 LEU 20 HD12 LEU 20 28.514 9.386 -1.673 169 HD13 LEU 20 HD13 LEU 20 29.881 9.067 -2.764 170 HD21 LEU 20 HD21 LEU 20 26.050 9.803 -4.523 171 HD22 LEU 20 HD22 LEU 20 26.169 9.716 -2.749 172 HD23 LEU 20 HD23 LEU 20 26.455 8.261 -3.734 Start of MODEL 56 1 H1 TRP 1 HT1 TRP 1 45.598 12.490 13.626 2 H2 TRP 1 HT2 TRP 1 46.570 11.098 13.548 3 H3 TRP 1 HT3 TRP 1 45.847 11.554 15.017 4 HA TRP 1 HA TRP 1 44.776 10.111 12.781 5 HB2 TRP 1 HB2 TRP 1 44.042 10.398 15.722 6 HB3 TRP 1 HB1 TRP 1 43.293 9.247 14.590 7 HD1 TRP 1 HD1 TRP 1 45.208 7.620 13.271 8 HE1 TRP 1 HE1 TRP 1 47.225 6.362 14.327 9 HE3 TRP 1 HE3 TRP 1 45.693 10.346 17.576 10 HZ2 TRP 1 HZ2 TRP 1 48.812 6.544 16.723 11 HZ3 TRP 1 HZ3 TRP 1 47.466 9.787 19.232 12 HH2 TRP 1 HH2 TRP 1 49.025 7.891 18.809 13 H LEU 2 HN LEU 2 43.133 10.711 11.535 14 HA LEU 2 HA LEU 2 41.841 13.275 11.935 15 HB2 LEU 2 HB2 LEU 2 40.851 11.061 10.114 16 HB3 LEU 2 HB1 LEU 2 40.693 12.822 9.906 17 HG LEU 2 HG LEU 2 43.277 11.206 9.782 18 HD11 LEU 2 HD11 LEU 2 41.727 11.063 7.802 19 HD12 LEU 2 HD12 LEU 2 43.284 11.840 7.426 20 HD13 LEU 2 HD13 LEU 2 41.825 12.834 7.651 21 HD21 LEU 2 HD21 LEU 2 44.185 13.505 9.002 22 HD22 LEU 2 HD22 LEU 2 43.868 13.315 10.740 23 HD23 LEU 2 HD23 LEU 2 42.710 14.199 9.716 24 H ARG 3 HN ARG 3 40.347 10.060 11.610 25 HA ARG 3 HA ARG 3 38.867 10.264 14.093 26 HB2 ARG 3 HB2 ARG 3 37.619 11.927 12.660 27 HB3 ARG 3 HB1 ARG 3 37.265 10.607 11.522 28 HG2 ARG 3 HG2 ARG 3 36.004 9.396 13.184 29 HG3 ARG 3 HG1 ARG 3 36.546 10.488 14.480 30 HD2 ARG 3 HD2 ARG 3 35.384 12.382 13.310 31 HD3 ARG 3 HD1 ARG 3 34.756 11.214 12.121 32 HE ARG 3 HE ARG 3 33.655 11.662 14.731 33 HH11 ARG 3 HH11 ARG 3 32.007 10.388 12.705 34 HH12 ARG 3 HH12 ARG 3 31.944 8.730 13.204 35 HH21 ARG 3 HH21 ARG 3 34.679 8.986 15.320 36 HH22 ARG 3 HH22 ARG 3 33.456 7.937 14.684 37 H ARG 4 HN ARG 4 40.003 8.862 11.268 38 HA ARG 4 HA ARG 4 39.630 6.179 12.200 39 HB2 ARG 4 HB2 ARG 4 38.099 5.379 10.391 40 HB3 ARG 4 HB1 ARG 4 37.292 6.475 11.540 41 HG2 ARG 4 HG2 ARG 4 37.725 8.377 9.958 42 HG3 ARG 4 HG1 ARG 4 38.391 7.208 8.790 43 HD2 ARG 4 HD2 ARG 4 35.589 6.996 9.967 44 HD3 ARG 4 HD1 ARG 4 35.946 7.798 8.419 45 HE ARG 4 HE ARG 4 35.780 4.948 8.824 46 HH11 ARG 4 HH11 ARG 4 35.837 6.913 6.321 47 HH12 ARG 4 HH12 ARG 4 37.086 6.136 5.405 48 HH21 ARG 4 HH21 ARG 4 38.150 4.149 8.040 49 HH22 ARG 4 HH22 ARG 4 38.395 4.570 6.378 50 H ILE 5 HN ILE 5 41.175 8.502 10.597 51 HA ILE 5 HA ILE 5 42.896 8.513 9.043 52 HB ILE 5 HB ILE 5 42.945 5.473 9.257 53 HG12 ILE 5 HG12 ILE 5 44.204 7.548 11.114 54 HG13 ILE 5 HG11 ILE 5 42.854 6.467 11.533 55 HG21 ILE 5 HG21 ILE 5 44.379 6.770 7.548 56 HG22 ILE 5 HG22 ILE 5 45.255 5.695 8.659 57 HG23 ILE 5 HG23 ILE 5 45.241 7.452 8.947 58 HD11 ILE 5 HD1 ILE 5 44.454 4.526 10.867 59 HD12 ILE 5 HD2 ILE 5 44.769 5.366 12.404 60 HD13 ILE 5 HD3 ILE 5 45.749 5.745 10.968 61 H GLY 6 HN GLY 6 40.743 8.997 7.763 62 HA2 GLY 6 HA1 GLY 6 41.096 8.117 5.135 63 HA3 GLY 6 HA2 GLY 6 39.915 6.997 5.842 64 H LYS 7 HN LYS 7 40.015 10.192 7.144 65 HA LYS 7 HA LYS 7 37.300 10.739 6.625 66 HB2 LYS 7 HB2 LYS 7 39.101 11.914 8.170 67 HB3 LYS 7 HB1 LYS 7 39.330 12.987 6.775 68 HG2 LYS 7 HG2 LYS 7 36.705 12.447 8.241 69 HG3 LYS 7 HG1 LYS 7 37.663 13.946 8.300 70 HD2 LYS 7 HD2 LYS 7 37.366 14.008 5.713 71 HD3 LYS 7 HD1 LYS 7 36.090 12.792 5.967 72 HE2 LYS 7 HE2 LYS 7 36.208 15.564 7.234 73 HE3 LYS 7 HE1 LYS 7 35.106 15.045 5.935 74 HZ1 LYS 7 HZ1 LYS 7 34.369 13.258 7.549 75 HZ2 LYS 7 HZ2 LYS 7 33.894 14.847 7.916 76 HZ3 LYS 7 HZ3 LYS 7 35.183 14.127 8.756 77 H GLY 8 HN GLY 8 40.091 12.326 4.992 78 HA2 GLY 8 HA1 GLY 8 38.889 11.976 2.367 79 HA3 GLY 8 HA2 GLY 8 38.697 13.632 2.977 80 H VAL 9 HN VAL 9 40.171 12.822 0.646 81 HA VAL 9 HA VAL 9 42.997 12.736 1.262 82 HB VAL 9 HB VAL 9 41.557 13.569 -1.298 83 HG11 VAL 9 HG11 VAL 9 43.826 12.932 -2.314 84 HG12 VAL 9 HG12 VAL 9 44.477 12.979 -0.658 85 HG13 VAL 9 HG13 VAL 9 43.795 14.452 -1.389 86 HG21 VAL 9 HG21 VAL 9 41.944 11.291 -2.019 87 HG22 VAL 9 HG22 VAL 9 41.177 11.213 -0.414 88 HG23 VAL 9 HG23 VAL 9 42.929 10.945 -0.578 89 H LYS 10 HN LYS 10 41.572 15.305 -0.754 90 HA LYS 10 HA LYS 10 42.127 17.433 1.111 91 HB2 LYS 10 HB2 LYS 10 44.466 16.853 0.683 92 HB3 LYS 10 HB1 LYS 10 44.192 16.916 -1.070 93 HG2 LYS 10 HG2 LYS 10 45.305 18.970 -0.182 94 HG3 LYS 10 HG1 LYS 10 43.750 19.324 -0.962 95 HD2 LYS 10 HD2 LYS 10 42.657 19.720 1.104 96 HD3 LYS 10 HD1 LYS 10 43.886 18.833 2.036 97 HE2 LYS 10 HE2 LYS 10 44.454 21.426 0.539 98 HE3 LYS 10 HE1 LYS 10 44.006 21.359 2.261 99 HZ1 LYS 10 HZ1 LYS 10 46.524 21.189 1.326 100 HZ2 LYS 10 HZ2 LYS 10 46.128 19.545 1.489 101 HZ3 LYS 10 HZ3 LYS 10 46.016 20.585 2.828 102 H ILE 11 HN ILE 11 41.245 16.127 -1.946 103 HA ILE 11 HA ILE 11 40.095 18.795 -2.780 104 HB ILE 11 HB ILE 11 40.907 16.567 -4.690 105 HG12 ILE 11 HG12 ILE 11 42.512 19.001 -3.783 106 HG13 ILE 11 HG11 ILE 11 42.928 17.296 -3.495 107 HG21 ILE 11 HG21 ILE 11 39.225 18.419 -5.321 108 HG22 ILE 11 HG22 ILE 11 40.638 18.238 -6.384 109 HG23 ILE 11 HG23 ILE 11 40.587 19.555 -5.189 110 HD11 ILE 11 HD1 ILE 11 42.847 17.046 -6.088 111 HD12 ILE 11 HD2 ILE 11 44.239 17.898 -5.380 112 HD13 ILE 11 HD3 ILE 11 42.912 18.825 -6.120 113 H ILE 12 HN ILE 12 39.808 15.231 -3.130 114 HA ILE 12 HA ILE 12 36.982 15.466 -3.917 115 HB ILE 12 HB ILE 12 38.694 13.070 -3.168 116 HG12 ILE 12 HG12 ILE 12 37.877 13.779 -6.016 117 HG13 ILE 12 HG11 ILE 12 39.265 14.608 -5.279 118 HG21 ILE 12 HG21 ILE 12 36.520 12.197 -3.010 119 HG22 ILE 12 HG22 ILE 12 36.794 11.967 -4.746 120 HG23 ILE 12 HG23 ILE 12 35.846 13.358 -4.177 121 HD11 ILE 12 HD1 ILE 12 39.043 11.575 -5.246 122 HD12 ILE 12 HD2 ILE 12 40.485 12.589 -5.008 123 HD13 ILE 12 HD3 ILE 12 39.753 12.449 -6.623 124 H GLY 13 HN GLY 13 37.926 12.935 -1.659 125 HA2 GLY 13 HA1 GLY 13 35.732 13.345 0.094 126 HA3 GLY 13 HA2 GLY 13 37.242 12.504 0.515 127 H GLY 14 HN GLY 14 38.396 15.142 -0.607 128 HA2 GLY 14 HA1 GLY 14 38.816 16.420 2.009 129 HA3 GLY 14 HA2 GLY 14 39.550 16.879 0.457 130 H ALA 15 HN ALA 15 37.395 17.321 -1.211 131 HA ALA 15 HA ALA 15 36.262 19.786 0.066 132 HB1 ALA 15 HB1 ALA 15 37.153 19.775 -2.306 133 HB2 ALA 15 HB2 ALA 15 35.484 20.363 -2.131 134 HB3 ALA 15 HB3 ALA 15 35.785 18.719 -2.740 135 H ALA 16 HN ALA 16 35.629 17.064 0.950 136 HA ALA 16 HA ALA 16 33.738 16.060 1.821 137 HB1 ALA 16 HB1 ALA 16 32.801 18.519 1.659 138 HB2 ALA 16 HB2 ALA 16 31.676 17.159 1.888 139 HB3 ALA 16 HB3 ALA 16 31.881 17.882 0.276 140 H LEU 17 HN LEU 17 35.098 15.060 -0.398 141 HA LEU 17 HA LEU 17 34.771 13.461 -2.053 142 HB2 LEU 17 HB2 LEU 17 32.990 12.719 -0.269 143 HB3 LEU 17 HB1 LEU 17 31.807 13.372 -1.421 144 HG LEU 17 HG LEU 17 33.177 11.884 -3.188 145 HD11 LEU 17 HD11 LEU 17 33.687 10.464 -0.532 146 HD12 LEU 17 HD12 LEU 17 34.930 11.170 -1.590 147 HD13 LEU 17 HD13 LEU 17 33.980 9.773 -2.144 148 HD21 LEU 17 HD21 LEU 17 31.647 9.949 -2.637 149 HD22 LEU 17 HD22 LEU 17 30.817 11.521 -2.717 150 HD23 LEU 17 HD23 LEU 17 31.197 10.795 -1.137 151 H ASP 18 HN ASP 18 34.280 16.403 -2.458 152 HA ASP 18 HA ASP 18 33.635 17.794 -4.191 153 HB2 ASP 18 HB2 ASP 18 34.962 16.148 -5.511 154 HB3 ASP 18 HB1 ASP 18 33.475 15.215 -5.801 155 H HIS 19 HN HIS 19 31.757 14.946 -5.268 156 HA HIS 19 HA HIS 19 29.416 16.344 -5.898 157 HB2 HIS 19 HB2 HIS 19 29.581 13.529 -4.750 158 HB3 HIS 19 HB1 HIS 19 28.255 14.198 -5.732 159 HD1 HIS 19 HD1 HIS 19 31.529 12.508 -5.972 160 HD2 HIS 19 HD2 HIS 19 29.214 14.991 -8.454 161 HE1 HIS 19 HE1 HIS 19 32.404 12.233 -8.357 162 H LEU 20 HN LEU 20 29.766 14.333 -2.936 163 HA LEU 20 HA LEU 20 27.538 15.728 -1.658 164 HB2 LEU 20 HB2 LEU 20 29.572 13.934 -0.290 165 HB3 LEU 20 HB1 LEU 20 27.876 14.230 0.161 166 HG LEU 20 HG LEU 20 28.847 12.796 -2.352 167 HD11 LEU 20 HD11 LEU 20 27.936 10.800 -1.321 168 HD12 LEU 20 HD12 LEU 20 27.272 11.742 0.035 169 HD13 LEU 20 HD13 LEU 20 29.034 11.563 -0.148 170 HD21 LEU 20 HD21 LEU 20 26.819 13.908 -2.957 171 HD22 LEU 20 HD22 LEU 20 26.085 13.617 -1.362 172 HD23 LEU 20 HD23 LEU 20 26.309 12.268 -2.501 Start of MODEL 57 1 H1 TRP 1 HT1 TRP 1 37.357 2.485 -4.321 2 H2 TRP 1 HT2 TRP 1 38.887 3.121 -3.943 3 H3 TRP 1 HT3 TRP 1 37.514 4.122 -3.912 4 HA TRP 1 HA TRP 1 36.598 2.898 -2.093 5 HB2 TRP 1 HB2 TRP 1 39.229 1.381 -1.987 6 HB3 TRP 1 HB1 TRP 1 37.721 1.058 -1.096 7 HD1 TRP 1 HD1 TRP 1 39.551 0.090 -4.155 8 HE1 TRP 1 HE1 TRP 1 38.071 -1.350 -5.735 9 HE3 TRP 1 HE3 TRP 1 35.000 0.898 -1.955 10 HZ2 TRP 1 HZ2 TRP 1 35.286 -2.039 -5.981 11 HZ3 TRP 1 HZ3 TRP 1 32.945 -0.161 -2.878 12 HH2 TRP 1 HH2 TRP 1 33.083 -1.627 -4.887 13 H LEU 2 HN LEU 2 37.524 5.382 -2.342 14 HA LEU 2 HA LEU 2 38.489 7.108 -1.126 15 HB2 LEU 2 HB2 LEU 2 39.109 5.071 1.030 16 HB3 LEU 2 HB1 LEU 2 38.847 6.818 1.214 17 HG LEU 2 HG LEU 2 36.766 4.743 0.392 18 HD11 LEU 2 HD11 LEU 2 36.894 6.582 2.819 19 HD12 LEU 2 HD12 LEU 2 37.424 4.882 2.830 20 HD13 LEU 2 HD13 LEU 2 35.718 5.281 2.513 21 HD21 LEU 2 HD21 LEU 2 36.194 6.701 -0.841 22 HD22 LEU 2 HD22 LEU 2 36.710 7.788 0.472 23 HD23 LEU 2 HD23 LEU 2 35.221 6.827 0.640 24 H ARG 3 HN ARG 3 40.171 4.426 -2.160 25 HA ARG 3 HA ARG 3 42.386 4.018 -2.653 26 HB2 ARG 3 HB2 ARG 3 42.447 7.050 -2.428 27 HB3 ARG 3 HB1 ARG 3 43.882 6.100 -2.870 28 HG2 ARG 3 HG2 ARG 3 42.706 6.870 -4.893 29 HG3 ARG 3 HG1 ARG 3 42.627 5.098 -4.768 30 HD2 ARG 3 HD2 ARG 3 40.344 5.118 -4.156 31 HD3 ARG 3 HD1 ARG 3 40.398 6.817 -3.626 32 HE ARG 3 HE ARG 3 40.980 6.621 -6.447 33 HH11 ARG 3 HH11 ARG 3 38.400 5.083 -5.193 34 HH12 ARG 3 HH12 ARG 3 37.182 6.159 -5.792 35 HH21 ARG 3 HH21 ARG 3 39.442 8.604 -6.759 36 HH22 ARG 3 HH22 ARG 3 37.772 8.153 -6.678 37 H ARG 4 HN ARG 4 42.916 6.777 -0.432 38 HA ARG 4 HA ARG 4 44.925 5.274 1.028 39 HB2 ARG 4 HB2 ARG 4 43.533 7.921 1.580 40 HB3 ARG 4 HB1 ARG 4 44.869 7.272 2.562 41 HG2 ARG 4 HG2 ARG 4 46.347 7.247 0.611 42 HG3 ARG 4 HG1 ARG 4 45.011 7.766 -0.444 43 HD2 ARG 4 HD2 ARG 4 46.523 9.656 0.227 44 HD3 ARG 4 HD1 ARG 4 44.836 9.894 0.741 45 HE ARG 4 HE ARG 4 46.506 8.606 2.778 46 HH11 ARG 4 HH11 ARG 4 46.168 11.628 1.228 47 HH12 ARG 4 HH12 ARG 4 46.122 12.544 2.697 48 HH21 ARG 4 HH21 ARG 4 46.126 9.751 4.752 49 HH22 ARG 4 HH22 ARG 4 46.099 11.482 4.693 50 H ILE 5 HN ILE 5 41.889 4.448 0.931 51 HA ILE 5 HA ILE 5 40.330 3.590 2.430 52 HB ILE 5 HB ILE 5 42.732 2.932 4.185 53 HG12 ILE 5 HG12 ILE 5 41.774 1.560 1.630 54 HG13 ILE 5 HG11 ILE 5 43.322 2.407 1.853 55 HG21 ILE 5 HG21 ILE 5 40.268 1.265 3.530 56 HG22 ILE 5 HG22 ILE 5 40.302 2.420 4.883 57 HG23 ILE 5 HG23 ILE 5 41.427 1.043 4.862 58 HD11 ILE 5 HD1 ILE 5 43.727 0.744 3.815 59 HD12 ILE 5 HD2 ILE 5 43.868 0.115 2.156 60 HD13 ILE 5 HD3 ILE 5 42.397 -0.201 3.104 61 H GLY 6 HN GLY 6 40.019 6.114 2.759 62 HA2 GLY 6 HA1 GLY 6 39.590 6.434 5.644 63 HA3 GLY 6 HA2 GLY 6 40.789 7.553 4.965 64 H LYS 7 HN LYS 7 39.941 8.473 2.699 65 HA LYS 7 HA LYS 7 37.082 8.938 2.559 66 HB2 LYS 7 HB2 LYS 7 37.171 11.388 3.072 67 HB3 LYS 7 HB1 LYS 7 37.466 10.358 4.494 68 HG2 LYS 7 HG2 LYS 7 39.944 10.625 4.093 69 HG3 LYS 7 HG1 LYS 7 39.561 11.793 2.806 70 HD2 LYS 7 HD2 LYS 7 38.450 13.268 4.388 71 HD3 LYS 7 HD1 LYS 7 38.610 12.063 5.689 72 HE2 LYS 7 HE2 LYS 7 40.992 13.266 4.221 73 HE3 LYS 7 HE1 LYS 7 40.342 13.928 5.741 74 HZ1 LYS 7 HZ1 LYS 7 40.801 11.068 5.759 75 HZ2 LYS 7 HZ2 LYS 7 41.191 12.243 6.923 76 HZ3 LYS 7 HZ3 LYS 7 42.209 11.997 5.586 77 H GLY 8 HN GLY 8 40.383 10.011 1.773 78 HA2 GLY 8 HA1 GLY 8 40.174 9.750 -0.981 79 HA3 GLY 8 HA2 GLY 8 39.561 11.385 -0.660 80 H VAL 9 HN VAL 9 41.312 12.240 -1.877 81 HA VAL 9 HA VAL 9 44.060 11.767 -0.977 82 HB VAL 9 HB VAL 9 42.954 13.948 -2.804 83 HG11 VAL 9 HG11 VAL 9 45.157 14.536 -2.004 84 HG12 VAL 9 HG12 VAL 9 45.354 13.889 -3.651 85 HG13 VAL 9 HG13 VAL 9 45.750 12.876 -2.243 86 HG21 VAL 9 HG21 VAL 9 42.455 11.631 -3.596 87 HG22 VAL 9 HG22 VAL 9 44.186 11.235 -3.469 88 HG23 VAL 9 HG23 VAL 9 43.636 12.456 -4.642 89 H LYS 10 HN LYS 10 42.039 14.737 -1.153 90 HA LYS 10 HA LYS 10 42.608 15.475 1.583 91 HB2 LYS 10 HB2 LYS 10 44.857 15.882 0.466 92 HB3 LYS 10 HB1 LYS 10 44.055 17.135 -0.513 93 HG2 LYS 10 HG2 LYS 10 43.307 18.250 1.613 94 HG3 LYS 10 HG1 LYS 10 44.257 17.054 2.529 95 HD2 LYS 10 HD2 LYS 10 46.316 17.784 1.399 96 HD3 LYS 10 HD1 LYS 10 45.387 18.940 0.414 97 HE2 LYS 10 HE2 LYS 10 45.479 18.982 3.460 98 HE3 LYS 10 HE1 LYS 10 46.510 19.989 2.417 99 HZ1 LYS 10 HZ1 LYS 10 43.885 20.483 3.231 100 HZ2 LYS 10 HZ2 LYS 10 43.836 20.200 1.557 101 HZ3 LYS 10 HZ3 LYS 10 44.845 21.412 2.188 102 H ILE 11 HN ILE 11 42.261 17.142 -1.596 103 HA ILE 11 HA ILE 11 40.207 18.906 -0.439 104 HB ILE 11 HB ILE 11 39.998 19.789 -2.752 105 HG12 ILE 11 HG12 ILE 11 42.178 17.724 -3.324 106 HG13 ILE 11 HG11 ILE 11 40.532 17.733 -3.997 107 HG21 ILE 11 HG21 ILE 11 41.741 20.580 -1.033 108 HG22 ILE 11 HG22 ILE 11 42.107 20.952 -2.731 109 HG23 ILE 11 HG23 ILE 11 42.926 19.594 -1.922 110 HD11 ILE 11 HD1 ILE 11 41.852 18.700 -5.714 111 HD12 ILE 11 HD2 ILE 11 42.819 19.648 -4.562 112 HD13 ILE 11 HD3 ILE 11 41.131 20.108 -4.898 113 H ILE 12 HN ILE 12 40.098 15.775 -1.230 114 HA ILE 12 HA ILE 12 37.754 15.676 -2.947 115 HB ILE 12 HB ILE 12 38.879 13.725 -0.925 116 HG12 ILE 12 HG12 ILE 12 40.570 14.179 -2.586 117 HG13 ILE 12 HG11 ILE 12 39.889 12.585 -2.961 118 HG21 ILE 12 HG21 ILE 12 36.738 12.856 -1.321 119 HG22 ILE 12 HG22 ILE 12 37.638 12.053 -2.624 120 HG23 ILE 12 HG23 ILE 12 36.655 13.494 -2.976 121 HD11 ILE 12 HD1 ILE 12 39.516 15.214 -4.425 122 HD12 ILE 12 HD2 ILE 12 38.283 13.940 -4.564 123 HD13 ILE 12 HD3 ILE 12 39.952 13.620 -5.077 124 H GLY 13 HN GLY 13 37.759 14.113 0.228 125 HA2 GLY 13 HA1 GLY 13 35.073 14.907 0.821 126 HA3 GLY 13 HA2 GLY 13 36.265 14.274 1.978 127 H GLY 14 HN GLY 14 37.867 16.570 0.432 128 HA2 GLY 14 HA1 GLY 14 37.471 18.560 2.608 129 HA3 GLY 14 HA2 GLY 14 38.728 18.569 1.355 130 H ALA 15 HN ALA 15 37.023 18.179 -0.916 131 HA ALA 15 HA ALA 15 35.832 20.941 -1.037 132 HB1 ALA 15 HB1 ALA 15 35.765 20.580 -3.449 133 HB2 ALA 15 HB2 ALA 15 36.283 18.891 -3.245 134 HB3 ALA 15 HB3 ALA 15 37.397 20.223 -2.843 135 H ALA 16 HN ALA 16 34.792 18.612 0.458 136 HA ALA 16 HA ALA 16 32.654 17.905 0.990 137 HB1 ALA 16 HB1 ALA 16 31.485 18.955 -1.595 138 HB2 ALA 16 HB2 ALA 16 31.968 20.094 -0.318 139 HB3 ALA 16 HB3 ALA 16 30.747 18.844 0.021 140 H LEU 17 HN LEU 17 34.665 16.376 -0.373 141 HA LEU 17 HA LEU 17 34.803 14.310 -1.445 142 HB2 LEU 17 HB2 LEU 17 32.688 14.017 0.122 143 HB3 LEU 17 HB1 LEU 17 31.783 14.048 -1.408 144 HG LEU 17 HG LEU 17 33.633 12.244 -2.161 145 HD11 LEU 17 HD11 LEU 17 33.471 11.709 0.836 146 HD12 LEU 17 HD12 LEU 17 34.853 12.534 0.081 147 HD13 LEU 17 HD13 LEU 17 34.460 10.861 -0.375 148 HD21 LEU 17 HD21 LEU 17 32.115 10.439 -1.374 149 HD22 LEU 17 HD22 LEU 17 31.202 11.816 -2.036 150 HD23 LEU 17 HD23 LEU 17 31.321 11.590 -0.274 151 H ASP 18 HN ASP 18 33.792 16.977 -2.831 152 HA ASP 18 HA ASP 18 33.406 17.630 -5.015 153 HB2 ASP 18 HB2 ASP 18 35.383 16.079 -5.387 154 HB3 ASP 18 HB1 ASP 18 34.214 14.810 -5.820 155 H HIS 19 HN HIS 19 32.571 14.167 -5.427 156 HA HIS 19 HA HIS 19 30.211 14.657 -6.897 157 HB2 HIS 19 HB2 HIS 19 31.345 12.455 -6.733 158 HB3 HIS 19 HB1 HIS 19 30.797 12.314 -5.045 159 HD1 HIS 19 HD1 HIS 19 28.152 14.032 -6.721 160 HD2 HIS 19 HD2 HIS 19 29.429 10.025 -6.689 161 HE1 HIS 19 HE1 HIS 19 26.176 12.596 -7.476 162 H LEU 20 HN LEU 20 30.223 13.375 -3.538 163 HA LEU 20 HA LEU 20 27.544 14.593 -3.108 164 HB2 LEU 20 HB2 LEU 20 29.177 12.990 -1.110 165 HB3 LEU 20 HB1 LEU 20 27.412 13.213 -1.179 166 HG LEU 20 HG LEU 20 29.128 11.680 -3.181 167 HD11 LEU 20 HD11 LEU 20 27.894 9.728 -2.358 168 HD12 LEU 20 HD12 LEU 20 26.929 10.762 -1.275 169 HD13 LEU 20 HD13 LEU 20 28.674 10.554 -0.989 170 HD21 LEU 20 HD21 LEU 20 26.182 12.455 -3.164 171 HD22 LEU 20 HD22 LEU 20 26.779 11.050 -4.080 172 HD23 LEU 20 HD23 LEU 20 27.376 12.679 -4.465 Start of MODEL 58 1 H1 TRP 1 HT1 TRP 1 41.328 14.774 19.057 2 H2 TRP 1 HT2 TRP 1 42.517 15.924 18.674 3 H3 TRP 1 HT3 TRP 1 42.840 14.267 18.484 4 HA TRP 1 HA TRP 1 40.554 15.327 17.064 5 HB2 TRP 1 HB2 TRP 1 43.431 15.894 16.245 6 HB3 TRP 1 HB1 TRP 1 41.990 16.177 15.238 7 HD1 TRP 1 HD1 TRP 1 40.163 17.957 16.262 8 HE1 TRP 1 HE1 TRP 1 40.530 20.123 17.654 9 HE3 TRP 1 HE3 TRP 1 44.909 17.039 17.947 10 HZ2 TRP 1 HZ2 TRP 1 42.619 21.271 19.271 11 HZ3 TRP 1 HZ3 TRP 1 46.070 18.682 19.412 12 HH2 TRP 1 HH2 TRP 1 44.929 20.795 20.076 13 H LEU 2 HN LEU 2 40.343 14.222 14.999 14 HA LEU 2 HA LEU 2 41.075 11.413 15.263 15 HB2 LEU 2 HB2 LEU 2 39.949 12.718 12.763 16 HB3 LEU 2 HB1 LEU 2 39.705 11.060 13.362 17 HG LEU 2 HG LEU 2 38.652 13.627 14.630 18 HD11 LEU 2 HD11 LEU 2 37.275 11.255 13.293 19 HD12 LEU 2 HD12 LEU 2 37.418 12.897 12.623 20 HD13 LEU 2 HD13 LEU 2 36.443 12.614 14.085 21 HD21 LEU 2 HD21 LEU 2 39.171 12.147 16.445 22 HD22 LEU 2 HD22 LEU 2 38.612 10.720 15.541 23 HD23 LEU 2 HD23 LEU 2 37.435 11.917 16.133 24 H ARG 3 HN ARG 3 42.580 14.187 13.950 25 HA ARG 3 HA ARG 3 44.658 14.405 12.951 26 HB2 ARG 3 HB2 ARG 3 45.102 12.113 14.179 27 HB3 ARG 3 HB1 ARG 3 44.930 11.406 12.557 28 HG2 ARG 3 HG2 ARG 3 46.652 13.103 11.747 29 HG3 ARG 3 HG1 ARG 3 46.933 13.519 13.455 30 HD2 ARG 3 HD2 ARG 3 47.471 11.129 13.928 31 HD3 ARG 3 HD1 ARG 3 47.255 10.757 12.200 32 HE ARG 3 HE ARG 3 49.165 12.901 12.556 33 HH11 ARG 3 HH11 ARG 3 49.391 10.100 14.228 34 HH12 ARG 3 HH12 ARG 3 50.739 9.438 13.365 35 HH21 ARG 3 HH21 ARG 3 50.612 11.795 10.826 36 HH22 ARG 3 HH22 ARG 3 51.429 10.397 11.439 37 H ARG 4 HN ARG 4 42.766 11.705 11.514 38 HA ARG 4 HA ARG 4 43.614 12.400 8.808 39 HB2 ARG 4 HB2 ARG 4 41.209 10.711 9.573 40 HB3 ARG 4 HB1 ARG 4 42.210 10.614 8.104 41 HG2 ARG 4 HG2 ARG 4 43.089 9.941 10.947 42 HG3 ARG 4 HG1 ARG 4 42.813 8.786 9.623 43 HD2 ARG 4 HD2 ARG 4 44.604 10.151 8.316 44 HD3 ARG 4 HD1 ARG 4 45.023 10.849 9.900 45 HE ARG 4 HE ARG 4 44.979 8.054 10.259 46 HH11 ARG 4 HH11 ARG 4 47.077 10.566 9.672 47 HH12 ARG 4 HH12 ARG 4 48.346 9.602 8.995 48 HH21 ARG 4 HH21 ARG 4 46.424 6.722 8.816 49 HH22 ARG 4 HH22 ARG 4 47.976 7.425 8.509 50 H ILE 5 HN ILE 5 41.514 13.837 10.987 51 HA ILE 5 HA ILE 5 39.844 15.424 10.748 52 HB ILE 5 HB ILE 5 40.732 15.724 7.849 53 HG12 ILE 5 HG12 ILE 5 41.996 16.855 10.388 54 HG13 ILE 5 HG11 ILE 5 42.743 15.690 9.270 55 HG21 ILE 5 HG21 ILE 5 39.937 17.970 8.078 56 HG22 ILE 5 HG22 ILE 5 39.826 17.834 9.850 57 HG23 ILE 5 HG23 ILE 5 38.680 16.951 8.814 58 HD11 ILE 5 HD1 ILE 5 42.094 18.618 8.796 59 HD12 ILE 5 HD2 ILE 5 42.347 17.497 7.434 60 HD13 ILE 5 HD3 ILE 5 43.652 17.782 8.611 61 H GLY 6 HN GLY 6 38.516 13.329 10.868 62 HA2 GLY 6 HA1 GLY 6 36.672 12.132 10.152 63 HA3 GLY 6 HA2 GLY 6 36.250 13.587 9.227 64 H LYS 7 HN LYS 7 39.263 11.920 8.617 65 HA LYS 7 HA LYS 7 40.015 10.815 6.721 66 HB2 LYS 7 HB2 LYS 7 37.167 9.792 6.443 67 HB3 LYS 7 HB1 LYS 7 38.666 9.015 5.879 68 HG2 LYS 7 HG2 LYS 7 39.416 8.960 8.324 69 HG3 LYS 7 HG1 LYS 7 37.757 9.438 8.754 70 HD2 LYS 7 HD2 LYS 7 38.493 6.978 7.102 71 HD3 LYS 7 HD1 LYS 7 38.091 6.958 8.835 72 HE2 LYS 7 HE2 LYS 7 35.875 8.145 8.125 73 HE3 LYS 7 HE1 LYS 7 36.287 7.601 6.479 74 HZ1 LYS 7 HZ1 LYS 7 35.244 6.104 8.663 75 HZ2 LYS 7 HZ2 LYS 7 36.697 5.419 8.112 76 HZ3 LYS 7 HZ3 LYS 7 35.406 5.659 7.035 77 H GLY 8 HN GLY 8 40.557 12.157 5.118 78 HA2 GLY 8 HA1 GLY 8 38.971 12.460 2.812 79 HA3 GLY 8 HA2 GLY 8 38.678 13.898 3.810 80 H VAL 9 HN VAL 9 40.384 12.831 1.266 81 HA VAL 9 HA VAL 9 43.071 13.590 1.743 82 HB VAL 9 HB VAL 9 42.966 14.222 -0.825 83 HG11 VAL 9 HG11 VAL 9 42.241 11.446 0.213 84 HG12 VAL 9 HG12 VAL 9 43.882 12.102 -0.004 85 HG13 VAL 9 HG13 VAL 9 42.852 11.795 -1.422 86 HG21 VAL 9 HG21 VAL 9 40.995 13.528 -2.004 87 HG22 VAL 9 HG22 VAL 9 40.399 14.507 -0.645 88 HG23 VAL 9 HG23 VAL 9 40.317 12.733 -0.563 89 H LYS 10 HN LYS 10 41.777 15.670 -0.675 90 HA LYS 10 HA LYS 10 41.472 18.006 1.089 91 HB2 LYS 10 HB2 LYS 10 43.995 17.622 0.809 92 HB3 LYS 10 HB1 LYS 10 43.765 18.026 -0.908 93 HG2 LYS 10 HG2 LYS 10 42.637 20.187 -0.118 94 HG3 LYS 10 HG1 LYS 10 43.224 19.794 1.513 95 HD2 LYS 10 HD2 LYS 10 44.997 20.047 -0.958 96 HD3 LYS 10 HD1 LYS 10 44.765 21.329 0.252 97 HE2 LYS 10 HE2 LYS 10 45.521 19.542 1.997 98 HE3 LYS 10 HE1 LYS 10 46.119 18.633 0.587 99 HZ1 LYS 10 HZ1 LYS 10 46.929 21.284 0.287 100 HZ2 LYS 10 HZ2 LYS 10 47.899 19.923 0.594 101 HZ3 LYS 10 HZ3 LYS 10 47.288 20.843 1.885 102 H ILE 11 HN ILE 11 41.417 16.380 -1.979 103 HA ILE 11 HA ILE 11 40.059 18.741 -3.272 104 HB ILE 11 HB ILE 11 41.113 16.241 -4.643 105 HG12 ILE 11 HG12 ILE 11 42.957 18.157 -5.330 106 HG13 ILE 11 HG11 ILE 11 42.569 18.723 -3.692 107 HG21 ILE 11 HG21 ILE 11 41.038 17.736 -6.642 108 HG22 ILE 11 HG22 ILE 11 40.388 19.042 -5.622 109 HG23 ILE 11 HG23 ILE 11 39.439 17.559 -5.881 110 HD11 ILE 11 HD1 ILE 11 44.412 17.216 -3.450 111 HD12 ILE 11 HD2 ILE 11 43.674 16.016 -4.538 112 HD13 ILE 11 HD3 ILE 11 42.987 16.294 -2.924 113 H ILE 12 HN ILE 12 39.877 15.153 -3.010 114 HA ILE 12 HA ILE 12 37.052 15.263 -3.963 115 HB ILE 12 HB ILE 12 38.847 12.903 -3.282 116 HG12 ILE 12 HG12 ILE 12 38.088 13.716 -6.121 117 HG13 ILE 12 HG11 ILE 12 39.438 14.541 -5.313 118 HG21 ILE 12 HG21 ILE 12 37.042 11.794 -4.927 119 HG22 ILE 12 HG22 ILE 12 36.035 13.161 -4.409 120 HG23 ILE 12 HG23 ILE 12 36.663 12.012 -3.208 121 HD11 ILE 12 HD1 ILE 12 40.313 12.663 -6.596 122 HD12 ILE 12 HD2 ILE 12 39.186 11.539 -5.804 123 HD13 ILE 12 HD3 ILE 12 40.488 12.303 -4.864 124 H GLY 13 HN GLY 13 38.008 12.661 -1.827 125 HA2 GLY 13 HA1 GLY 13 35.822 12.978 -0.063 126 HA3 GLY 13 HA2 GLY 13 37.339 12.136 0.333 127 H GLY 14 HN GLY 14 38.490 14.835 -0.624 128 HA2 GLY 14 HA1 GLY 14 38.799 15.996 2.068 129 HA3 GLY 14 HA2 GLY 14 39.606 16.509 0.573 130 H ALA 15 HN ALA 15 37.568 16.992 -1.195 131 HA ALA 15 HA ALA 15 36.373 19.431 0.062 132 HB1 ALA 15 HB1 ALA 15 35.926 18.394 -2.758 133 HB2 ALA 15 HB2 ALA 15 37.357 19.351 -2.298 134 HB3 ALA 15 HB3 ALA 15 35.730 20.052 -2.144 135 H ALA 16 HN ALA 16 35.693 16.733 0.957 136 HA ALA 16 HA ALA 16 33.782 15.708 1.738 137 HB1 ALA 16 HB1 ALA 16 31.720 16.817 1.758 138 HB2 ALA 16 HB2 ALA 16 31.994 17.587 0.178 139 HB3 ALA 16 HB3 ALA 16 32.868 18.168 1.615 140 H LEU 17 HN LEU 17 35.189 14.736 -0.474 141 HA LEU 17 HA LEU 17 34.884 13.218 -2.213 142 HB2 LEU 17 HB2 LEU 17 33.159 12.350 -0.443 143 HB3 LEU 17 HB1 LEU 17 31.933 13.055 -1.517 144 HG LEU 17 HG LEU 17 33.267 11.686 -3.408 145 HD11 LEU 17 HD11 LEU 17 35.060 10.905 -1.866 146 HD12 LEU 17 HD12 LEU 17 34.135 9.541 -2.529 147 HD13 LEU 17 HD13 LEU 17 33.837 10.092 -0.865 148 HD21 LEU 17 HD21 LEU 17 30.901 11.317 -2.804 149 HD22 LEU 17 HD22 LEU 17 31.399 10.372 -1.380 150 HD23 LEU 17 HD23 LEU 17 31.738 9.761 -3.016 151 H ASP 18 HN ASP 18 34.586 16.055 -2.664 152 HA ASP 18 HA ASP 18 33.946 17.500 -4.351 153 HB2 ASP 18 HB2 ASP 18 34.922 15.705 -5.774 154 HB3 ASP 18 HB1 ASP 18 33.314 14.951 -5.890 155 H HIS 19 HN HIS 19 31.638 14.892 -5.166 156 HA HIS 19 HA HIS 19 29.444 16.732 -5.386 157 HB2 HIS 19 HB2 HIS 19 29.324 13.727 -4.927 158 HB3 HIS 19 HB1 HIS 19 28.060 14.754 -5.644 159 HD1 HIS 19 HD1 HIS 19 28.739 16.006 -7.959 160 HD2 HIS 19 HD2 HIS 19 31.174 12.787 -6.773 161 HE1 HIS 19 HE1 HIS 19 30.110 15.299 -9.995 162 H LEU 20 HN LEU 20 29.888 14.072 -2.999 163 HA LEU 20 HA LEU 20 29.166 15.814 -0.778 164 HB2 LEU 20 HB2 LEU 20 27.066 14.267 -0.273 165 HB3 LEU 20 HB1 LEU 20 26.904 15.662 -1.363 166 HG LEU 20 HG LEU 20 27.159 14.226 -3.326 167 HD11 LEU 20 HD11 LEU 20 27.689 12.075 -1.236 168 HD12 LEU 20 HD12 LEU 20 28.701 12.541 -2.624 169 HD13 LEU 20 HD13 LEU 20 27.173 11.675 -2.892 170 HD21 LEU 20 HD21 LEU 20 25.104 12.865 -3.066 171 HD22 LEU 20 HD22 LEU 20 24.903 14.470 -2.323 172 HD23 LEU 20 HD23 LEU 20 25.204 13.046 -1.299 Start of MODEL 59 1 H1 TRP 1 HT1 TRP 1 35.639 6.120 15.032 2 H2 TRP 1 HT2 TRP 1 35.598 7.674 15.719 3 H3 TRP 1 HT3 TRP 1 36.835 7.252 14.632 4 HA TRP 1 HA TRP 1 34.021 7.146 13.822 5 HB2 TRP 1 HB2 TRP 1 35.839 9.583 13.673 6 HB3 TRP 1 HB1 TRP 1 34.183 9.452 13.033 7 HD1 TRP 1 HD1 TRP 1 32.461 8.396 15.193 8 HE1 TRP 1 HE1 TRP 1 32.166 9.497 17.531 9 HE3 TRP 1 HE3 TRP 1 36.785 11.133 15.346 10 HZ2 TRP 1 HZ2 TRP 1 33.633 11.319 19.212 11 HZ3 TRP 1 HZ3 TRP 1 37.315 12.545 17.326 12 HH2 TRP 1 HH2 TRP 1 35.746 12.641 19.258 13 H LEU 2 HN LEU 2 35.594 5.248 12.966 14 HA LEU 2 HA LEU 2 36.484 4.305 11.049 15 HB2 LEU 2 HB2 LEU 2 35.768 6.856 9.570 16 HB3 LEU 2 HB1 LEU 2 35.916 5.210 8.921 17 HG LEU 2 HG LEU 2 33.781 6.228 10.848 18 HD11 LEU 2 HD11 LEU 2 32.262 5.647 8.971 19 HD12 LEU 2 HD12 LEU 2 33.668 5.172 7.987 20 HD13 LEU 2 HD13 LEU 2 33.460 6.868 8.485 21 HD21 LEU 2 HD21 LEU 2 32.841 3.844 10.413 22 HD22 LEU 2 HD22 LEU 2 34.208 3.982 11.539 23 HD23 LEU 2 HD23 LEU 2 34.486 3.430 9.870 24 H ARG 3 HN ARG 3 37.657 7.153 12.405 25 HA ARG 3 HA ARG 3 39.825 7.929 12.562 26 HB2 ARG 3 HB2 ARG 3 40.350 5.389 11.981 27 HB3 ARG 3 HB1 ARG 3 40.822 6.053 10.403 28 HG2 ARG 3 HG2 ARG 3 42.864 6.185 11.544 29 HG3 ARG 3 HG1 ARG 3 42.201 7.799 11.889 30 HD2 ARG 3 HD2 ARG 3 41.323 6.952 14.068 31 HD3 ARG 3 HD1 ARG 3 42.018 5.354 13.714 32 HE ARG 3 HE ARG 3 43.467 7.548 14.810 33 HH11 ARG 3 HH11 ARG 3 44.776 5.059 15.096 34 HH12 ARG 3 HH12 ARG 3 46.007 5.043 13.878 35 HH21 ARG 3 HH21 ARG 3 44.576 7.599 12.023 36 HH22 ARG 3 HH22 ARG 3 45.894 6.482 12.138 37 H ARG 4 HN ARG 4 39.165 7.004 9.140 38 HA ARG 4 HA ARG 4 40.501 9.355 8.108 39 HB2 ARG 4 HB2 ARG 4 39.377 8.714 5.959 40 HB3 ARG 4 HB1 ARG 4 40.273 7.377 6.718 41 HG2 ARG 4 HG2 ARG 4 38.181 6.495 7.681 42 HG3 ARG 4 HG1 ARG 4 37.269 7.852 6.977 43 HD2 ARG 4 HD2 ARG 4 37.995 7.129 4.701 44 HD3 ARG 4 HD1 ARG 4 38.825 5.733 5.432 45 HE ARG 4 HE ARG 4 36.191 5.583 6.366 46 HH11 ARG 4 HH11 ARG 4 37.129 3.344 4.810 47 HH12 ARG 4 HH12 ARG 4 36.240 3.451 3.326 48 HH21 ARG 4 HH21 ARG 4 35.322 6.760 3.808 49 HH22 ARG 4 HH22 ARG 4 35.216 5.385 2.760 50 H ILE 5 HN ILE 5 37.540 8.926 9.692 51 HA ILE 5 HA ILE 5 35.716 10.320 9.991 52 HB ILE 5 HB ILE 5 37.398 12.524 8.728 53 HG12 ILE 5 HG12 ILE 5 38.871 11.575 10.346 54 HG13 ILE 5 HG11 ILE 5 38.127 12.959 11.167 55 HG21 ILE 5 HG21 ILE 5 35.188 13.296 9.110 56 HG22 ILE 5 HG22 ILE 5 36.102 13.874 10.518 57 HG23 ILE 5 HG23 ILE 5 35.050 12.449 10.664 58 HD11 ILE 5 HD1 ILE 5 37.488 10.002 11.516 59 HD12 ILE 5 HD2 ILE 5 36.416 11.285 12.123 60 HD13 ILE 5 HD3 ILE 5 38.076 11.151 12.739 61 H GLY 6 HN GLY 6 35.007 8.851 8.082 62 HA2 GLY 6 HA1 GLY 6 33.885 8.658 6.065 63 HA3 GLY 6 HA2 GLY 6 33.300 10.297 6.414 64 H LYS 7 HN LYS 7 36.490 8.910 5.530 65 HA LYS 7 HA LYS 7 37.953 9.485 3.835 66 HB2 LYS 7 HB2 LYS 7 35.851 8.873 2.470 67 HB3 LYS 7 HB1 LYS 7 35.579 10.623 2.320 68 HG2 LYS 7 HG2 LYS 7 36.846 10.240 0.388 69 HG3 LYS 7 HG1 LYS 7 38.143 10.640 1.534 70 HD2 LYS 7 HD2 LYS 7 38.501 8.207 1.956 71 HD3 LYS 7 HD1 LYS 7 37.211 7.827 0.790 72 HE2 LYS 7 HE2 LYS 7 38.494 9.009 -0.988 73 HE3 LYS 7 HE1 LYS 7 39.797 9.324 0.182 74 HZ1 LYS 7 HZ1 LYS 7 38.815 6.655 -0.699 75 HZ2 LYS 7 HZ2 LYS 7 39.988 6.908 0.503 76 HZ3 LYS 7 HZ3 LYS 7 40.301 7.365 -1.101 77 H GLY 8 HN GLY 8 39.339 11.120 3.464 78 HA2 GLY 8 HA1 GLY 8 38.467 13.890 3.324 79 HA3 GLY 8 HA2 GLY 8 39.215 13.503 4.887 80 H VAL 9 HN VAL 9 39.726 13.245 1.357 81 HA VAL 9 HA VAL 9 42.557 12.767 1.565 82 HB VAL 9 HB VAL 9 40.951 13.970 -0.737 83 HG11 VAL 9 HG11 VAL 9 43.769 12.834 -0.524 84 HG12 VAL 9 HG12 VAL 9 43.287 14.455 -1.083 85 HG13 VAL 9 HG13 VAL 9 42.916 13.024 -2.074 86 HG21 VAL 9 HG21 VAL 9 40.266 11.670 0.103 87 HG22 VAL 9 HG22 VAL 9 41.908 11.110 -0.298 88 HG23 VAL 9 HG23 VAL 9 40.832 11.706 -1.585 89 H LYS 10 HN LYS 10 41.311 15.626 -0.149 90 HA LYS 10 HA LYS 10 42.407 17.560 1.693 91 HB2 LYS 10 HB2 LYS 10 44.521 16.486 0.765 92 HB3 LYS 10 HB1 LYS 10 44.056 17.132 -0.825 93 HG2 LYS 10 HG2 LYS 10 43.939 19.432 0.230 94 HG3 LYS 10 HG1 LYS 10 44.621 18.721 1.713 95 HD2 LYS 10 HD2 LYS 10 46.582 17.913 0.376 96 HD3 LYS 10 HD1 LYS 10 45.918 18.751 -1.047 97 HE2 LYS 10 HE2 LYS 10 47.638 20.121 0.138 98 HE3 LYS 10 HE1 LYS 10 46.041 20.906 0.124 99 HZ1 LYS 10 HZ1 LYS 10 45.677 20.359 2.345 100 HZ2 LYS 10 HZ2 LYS 10 47.315 20.815 2.321 101 HZ3 LYS 10 HZ3 LYS 10 46.887 19.172 2.370 102 H ILE 11 HN ILE 11 41.348 16.601 -1.516 103 HA ILE 11 HA ILE 11 40.007 19.271 -1.827 104 HB ILE 11 HB ILE 11 41.372 17.830 -4.140 105 HG12 ILE 11 HG12 ILE 11 42.398 20.147 -2.436 106 HG13 ILE 11 HG11 ILE 11 43.105 18.517 -2.529 107 HG21 ILE 11 HG21 ILE 11 40.522 20.744 -3.874 108 HG22 ILE 11 HG22 ILE 11 39.424 19.484 -4.485 109 HG23 ILE 11 HG23 ILE 11 40.930 19.849 -5.357 110 HD11 ILE 11 HD1 ILE 11 43.303 18.965 -5.089 111 HD12 ILE 11 HD2 ILE 11 44.440 19.806 -4.009 112 HD13 ILE 11 HD3 ILE 11 43.033 20.674 -4.665 113 H ILE 12 HN ILE 12 40.383 15.901 -2.929 114 HA ILE 12 HA ILE 12 37.731 15.839 -4.169 115 HB ILE 12 HB ILE 12 39.633 13.624 -3.335 116 HG12 ILE 12 HG12 ILE 12 39.228 14.596 -6.198 117 HG13 ILE 12 HG11 ILE 12 40.354 15.453 -5.124 118 HG21 ILE 12 HG21 ILE 12 37.092 13.661 -5.017 119 HG22 ILE 12 HG22 ILE 12 37.495 12.605 -3.644 120 HG23 ILE 12 HG23 ILE 12 38.299 12.372 -5.206 121 HD11 ILE 12 HD1 ILE 12 40.486 12.528 -5.975 122 HD12 ILE 12 HD2 ILE 12 41.494 13.218 -4.681 123 HD13 ILE 12 HD3 ILE 12 41.641 13.825 -6.345 124 H GLY 13 HN GLY 13 38.780 13.302 -1.926 125 HA2 GLY 13 HA1 GLY 13 36.251 13.162 -0.594 126 HA3 GLY 13 HA2 GLY 13 37.788 12.497 0.006 127 H GLY 14 HN GLY 14 38.615 15.409 -0.743 128 HA2 GLY 14 HA1 GLY 14 38.488 16.449 2.013 129 HA3 GLY 14 HA2 GLY 14 39.328 17.178 0.626 130 H ALA 15 HN ALA 15 37.311 17.379 -1.275 131 HA ALA 15 HA ALA 15 35.681 19.560 -0.037 132 HB1 ALA 15 HB1 ALA 15 34.988 20.046 -2.324 133 HB2 ALA 15 HB2 ALA 15 35.769 18.561 -2.912 134 HB3 ALA 15 HB3 ALA 15 36.758 19.894 -2.263 135 H ALA 16 HN ALA 16 35.412 16.703 0.639 136 HA ALA 16 HA ALA 16 33.627 15.377 1.268 137 HB1 ALA 16 HB1 ALA 16 31.660 16.970 -0.388 138 HB2 ALA 16 HB2 ALA 16 32.322 17.663 1.111 139 HB3 ALA 16 HB3 ALA 16 31.418 16.132 1.162 140 H LEU 17 HN LEU 17 35.358 14.869 -0.940 141 HA LEU 17 HA LEU 17 35.456 13.462 -2.792 142 HB2 LEU 17 HB2 LEU 17 33.907 12.188 -0.967 143 HB3 LEU 17 HB1 LEU 17 32.708 12.330 -2.267 144 HG LEU 17 HG LEU 17 35.501 11.118 -2.576 145 HD11 LEU 17 HD11 LEU 17 33.871 9.817 -1.133 146 HD12 LEU 17 HD12 LEU 17 34.391 8.967 -2.607 147 HD13 LEU 17 HD13 LEU 17 32.785 9.736 -2.539 148 HD21 LEU 17 HD21 LEU 17 33.091 11.288 -4.444 149 HD22 LEU 17 HD22 LEU 17 34.540 10.304 -4.752 150 HD23 LEU 17 HD23 LEU 17 34.670 12.076 -4.674 151 H ASP 18 HN ASP 18 34.701 16.012 -3.394 152 HA ASP 18 HA ASP 18 33.658 17.282 -5.028 153 HB2 ASP 18 HB2 ASP 18 33.452 14.555 -6.362 154 HB3 ASP 18 HB1 ASP 18 33.166 16.111 -7.175 155 H HIS 19 HN HIS 19 31.739 14.375 -5.736 156 HA HIS 19 HA HIS 19 29.400 15.397 -4.261 157 HB2 HIS 19 HB2 HIS 19 29.402 16.752 -6.374 158 HB3 HIS 19 HB1 HIS 19 29.301 15.234 -7.300 159 HD1 HIS 19 HD1 HIS 19 26.959 14.788 -8.010 160 HD2 HIS 19 HD2 HIS 19 27.138 16.504 -4.174 161 HE1 HIS 19 HE1 HIS 19 24.560 14.993 -7.154 162 H LEU 20 HN LEU 20 30.946 13.032 -4.078 163 HA LEU 20 HA LEU 20 30.673 10.734 -4.015 164 HB2 LEU 20 HB2 LEU 20 28.520 11.543 -2.897 165 HB3 LEU 20 HB1 LEU 20 27.721 11.294 -4.463 166 HG LEU 20 HG LEU 20 28.783 8.866 -4.334 167 HD11 LEU 20 HD11 LEU 20 28.826 9.761 -1.413 168 HD12 LEU 20 HD12 LEU 20 30.200 9.163 -2.372 169 HD13 LEU 20 HD13 LEU 20 28.875 8.064 -1.936 170 HD21 LEU 20 HD21 LEU 20 26.787 8.068 -3.073 171 HD22 LEU 20 HD22 LEU 20 26.362 9.325 -4.261 172 HD23 LEU 20 HD23 LEU 20 26.477 9.736 -2.533 Start of MODEL 60 1 H1 TRP 1 HT1 TRP 1 44.949 8.354 4.730 2 H2 TRP 1 HT2 TRP 1 46.434 8.111 3.940 3 H3 TRP 1 HT3 TRP 1 45.877 9.688 4.248 4 HA TRP 1 HA TRP 1 47.619 8.345 5.757 5 HB2 TRP 1 HB2 TRP 1 45.646 10.474 6.673 6 HB3 TRP 1 HB1 TRP 1 47.230 10.116 7.402 7 HD1 TRP 1 HD1 TRP 1 45.620 11.643 4.285 8 HE1 TRP 1 HE1 TRP 1 47.389 13.033 2.981 9 HE3 TRP 1 HE3 TRP 1 49.790 10.365 6.968 10 HZ2 TRP 1 HZ2 TRP 1 50.227 13.505 3.112 11 HZ3 TRP 1 HZ3 TRP 1 52.017 11.297 6.360 12 HH2 TRP 1 HH2 TRP 1 52.240 12.865 4.437 13 H LEU 2 HN LEU 2 47.010 6.220 6.240 14 HA LEU 2 HA LEU 2 46.177 4.569 7.626 15 HB2 LEU 2 HB2 LEU 2 45.173 6.762 9.463 16 HB3 LEU 2 HB1 LEU 2 45.613 5.094 9.884 17 HG LEU 2 HG LEU 2 47.541 7.220 8.842 18 HD11 LEU 2 HD11 LEU 2 46.797 7.672 11.141 19 HD12 LEU 2 HD12 LEU 2 48.479 7.091 11.150 20 HD13 LEU 2 HD13 LEU 2 47.155 5.992 11.608 21 HD21 LEU 2 HD21 LEU 2 49.229 5.410 9.667 22 HD22 LEU 2 HD22 LEU 2 48.399 5.114 8.125 23 HD23 LEU 2 HD23 LEU 2 47.849 4.286 9.601 24 H ARG 3 HN ARG 3 44.193 6.893 6.191 25 HA ARG 3 HA ARG 3 41.994 6.830 5.500 26 HB2 ARG 3 HB2 ARG 3 41.903 3.934 6.402 27 HB3 ARG 3 HB1 ARG 3 40.942 4.724 5.132 28 HG2 ARG 3 HG2 ARG 3 43.080 5.170 3.875 29 HG3 ARG 3 HG1 ARG 3 43.943 4.200 5.092 30 HD2 ARG 3 HD2 ARG 3 42.616 2.231 4.546 31 HD3 ARG 3 HD1 ARG 3 41.589 3.179 3.446 32 HE ARG 3 HE ARG 3 44.380 3.343 2.677 33 HH11 ARG 3 HH11 ARG 3 42.153 3.098 0.723 34 HH12 ARG 3 HH12 ARG 3 42.338 1.475 0.145 35 HH21 ARG 3 HH21 ARG 3 44.375 0.487 2.772 36 HH22 ARG 3 HH22 ARG 3 43.595 -0.002 1.305 37 H ARG 4 HN ARG 4 42.840 6.000 8.743 38 HA ARG 4 HA ARG 4 40.015 6.165 9.686 39 HB2 ARG 4 HB2 ARG 4 41.636 4.439 10.584 40 HB3 ARG 4 HB1 ARG 4 42.566 5.778 11.300 41 HG2 ARG 4 HG2 ARG 4 40.614 6.483 12.607 42 HG3 ARG 4 HG1 ARG 4 39.613 5.229 11.834 43 HD2 ARG 4 HD2 ARG 4 40.432 4.533 14.093 44 HD3 ARG 4 HD1 ARG 4 41.020 3.463 12.797 45 HE ARG 4 HE ARG 4 42.937 5.554 13.253 46 HH11 ARG 4 HH11 ARG 4 41.514 2.809 14.778 47 HH12 ARG 4 HH12 ARG 4 42.960 2.358 15.617 48 HH21 ARG 4 HH21 ARG 4 44.855 4.938 14.284 49 HH22 ARG 4 HH22 ARG 4 44.852 3.564 15.339 50 H ILE 5 HN ILE 5 43.180 7.809 9.977 51 HA ILE 5 HA ILE 5 41.959 10.000 11.564 52 HB ILE 5 HB ILE 5 44.758 9.836 10.371 53 HG12 ILE 5 HG12 ILE 5 44.509 7.861 11.718 54 HG13 ILE 5 HG11 ILE 5 45.412 9.024 12.704 55 HG21 ILE 5 HG21 ILE 5 43.409 11.603 12.442 56 HG22 ILE 5 HG22 ILE 5 44.429 12.058 11.064 57 HG23 ILE 5 HG23 ILE 5 45.164 11.327 12.506 58 HD11 ILE 5 HD1 ILE 5 43.785 8.128 14.184 59 HD12 ILE 5 HD2 ILE 5 42.504 8.179 12.952 60 HD13 ILE 5 HD3 ILE 5 43.091 9.686 13.688 61 H GLY 6 HN GLY 6 43.056 9.335 8.263 62 HA2 GLY 6 HA1 GLY 6 43.190 11.950 7.248 63 HA3 GLY 6 HA2 GLY 6 42.692 10.526 6.312 64 H LYS 7 HN LYS 7 40.368 9.786 6.775 65 HA LYS 7 HA LYS 7 38.134 10.326 6.435 66 HB2 LYS 7 HB2 LYS 7 38.633 12.510 8.486 67 HB3 LYS 7 HB1 LYS 7 37.111 11.647 8.157 68 HG2 LYS 7 HG2 LYS 7 38.369 9.491 8.799 69 HG3 LYS 7 HG1 LYS 7 39.653 10.551 9.425 70 HD2 LYS 7 HD2 LYS 7 36.727 10.654 10.284 71 HD3 LYS 7 HD1 LYS 7 38.033 9.871 11.203 72 HE2 LYS 7 HE2 LYS 7 39.232 12.176 11.103 73 HE3 LYS 7 HE1 LYS 7 37.651 12.827 10.610 74 HZ1 LYS 7 HZ1 LYS 7 38.201 11.270 13.088 75 HZ2 LYS 7 HZ2 LYS 7 36.684 11.871 12.613 76 HZ3 LYS 7 HZ3 LYS 7 37.942 12.944 13.002 77 H GLY 8 HN GLY 8 40.386 11.972 5.049 78 HA2 GLY 8 HA1 GLY 8 38.684 13.503 3.379 79 HA3 GLY 8 HA2 GLY 8 39.353 14.600 4.603 80 H VAL 9 HN VAL 9 39.811 13.193 1.581 81 HA VAL 9 HA VAL 9 42.659 12.907 1.514 82 HB VAL 9 HB VAL 9 40.740 13.667 -0.736 83 HG11 VAL 9 HG11 VAL 9 42.988 14.207 -1.429 84 HG12 VAL 9 HG12 VAL 9 42.607 12.625 -2.144 85 HG13 VAL 9 HG13 VAL 9 43.637 12.722 -0.696 86 HG21 VAL 9 HG21 VAL 9 40.191 11.522 0.368 87 HG22 VAL 9 HG22 VAL 9 41.879 10.987 0.181 88 HG23 VAL 9 HG23 VAL 9 40.861 11.238 -1.258 89 H LYS 10 HN LYS 10 41.180 15.388 -0.541 90 HA LYS 10 HA LYS 10 42.242 17.651 0.896 91 HB2 LYS 10 HB2 LYS 10 44.383 16.524 0.089 92 HB3 LYS 10 HB1 LYS 10 43.845 16.875 -1.570 93 HG2 LYS 10 HG2 LYS 10 43.696 19.296 -0.988 94 HG3 LYS 10 HG1 LYS 10 44.300 18.924 0.645 95 HD2 LYS 10 HD2 LYS 10 46.339 17.868 -0.471 96 HD3 LYS 10 HD1 LYS 10 45.760 18.564 -2.004 97 HE2 LYS 10 HE2 LYS 10 47.352 20.121 -1.044 98 HE3 LYS 10 HE1 LYS 10 45.728 20.830 -0.870 99 HZ1 LYS 10 HZ1 LYS 10 46.485 19.138 1.334 100 HZ2 LYS 10 HZ2 LYS 10 45.850 20.715 1.341 101 HZ3 LYS 10 HZ3 LYS 10 47.519 20.468 1.139 102 H ILE 11 HN ILE 11 41.003 16.106 -1.986 103 HA ILE 11 HA ILE 11 39.789 18.737 -2.829 104 HB ILE 11 HB ILE 11 40.667 16.557 -4.764 105 HG12 ILE 11 HG12 ILE 11 42.159 19.069 -3.871 106 HG13 ILE 11 HG11 ILE 11 42.675 17.385 -3.616 107 HG21 ILE 11 HG21 ILE 11 38.877 18.316 -5.359 108 HG22 ILE 11 HG22 ILE 11 40.278 18.220 -6.449 109 HG23 ILE 11 HG23 ILE 11 40.176 19.527 -5.243 110 HD11 ILE 11 HD1 ILE 11 42.551 17.161 -6.209 111 HD12 ILE 11 HD2 ILE 11 43.909 18.084 -5.520 112 HD13 ILE 11 HD3 ILE 11 42.516 18.942 -6.219 113 H ILE 12 HN ILE 12 39.654 15.163 -3.079 114 HA ILE 12 HA ILE 12 36.796 15.266 -3.825 115 HB ILE 12 HB ILE 12 38.642 12.955 -3.122 116 HG12 ILE 12 HG12 ILE 12 37.686 13.607 -5.941 117 HG13 ILE 12 HG11 ILE 12 39.064 14.499 -5.261 118 HG21 ILE 12 HG21 ILE 12 35.757 13.098 -4.063 119 HG22 ILE 12 HG22 ILE 12 36.498 12.018 -2.859 120 HG23 ILE 12 HG23 ILE 12 36.759 11.727 -4.588 121 HD11 ILE 12 HD1 ILE 12 39.894 12.572 -6.510 122 HD12 ILE 12 HD2 ILE 12 38.854 11.469 -5.582 123 HD13 ILE 12 HD3 ILE 12 40.196 12.313 -4.777 124 H GLY 13 HN GLY 13 37.968 12.827 -1.566 125 HA2 GLY 13 HA1 GLY 13 35.810 13.192 0.258 126 HA3 GLY 13 HA2 GLY 13 37.347 12.376 0.623 127 H GLY 14 HN GLY 14 38.331 15.071 -0.600 128 HA2 GLY 14 HA1 GLY 14 38.875 16.375 1.988 129 HA3 GLY 14 HA2 GLY 14 39.514 16.837 0.394 130 H ALA 15 HN ALA 15 37.257 17.167 -1.159 131 HA ALA 15 HA ALA 15 36.095 19.611 0.142 132 HB1 ALA 15 HB1 ALA 15 36.906 19.592 -2.270 133 HB2 ALA 15 HB2 ALA 15 35.237 20.155 -2.026 134 HB3 ALA 15 HB3 ALA 15 35.538 18.513 -2.638 135 H ALA 16 HN ALA 16 35.617 16.892 1.083 136 HA ALA 16 HA ALA 16 33.821 15.757 1.984 137 HB1 ALA 16 HB1 ALA 16 31.720 16.778 2.192 138 HB2 ALA 16 HB2 ALA 16 31.846 17.603 0.621 139 HB3 ALA 16 HB3 ALA 16 32.805 18.174 2.007 140 H LEU 17 HN LEU 17 35.059 14.771 -0.224 141 HA LEU 17 HA LEU 17 34.707 13.231 -1.928 142 HB2 LEU 17 HB2 LEU 17 31.762 13.214 -1.158 143 HB3 LEU 17 HB1 LEU 17 32.644 11.968 -2.055 144 HG LEU 17 HG LEU 17 33.553 12.734 0.748 145 HD11 LEU 17 HD11 LEU 17 32.102 10.943 1.653 146 HD12 LEU 17 HD12 LEU 17 31.366 10.726 0.046 147 HD13 LEU 17 HD13 LEU 17 31.135 12.252 0.934 148 HD21 LEU 17 HD21 LEU 17 34.388 10.427 0.754 149 HD22 LEU 17 HD22 LEU 17 34.949 11.233 -0.727 150 HD23 LEU 17 HD23 LEU 17 33.584 10.097 -0.797 151 H ASP 18 HN ASP 18 33.692 16.285 -1.938 152 HA ASP 18 HA ASP 18 32.986 17.748 -3.584 153 HB2 ASP 18 HB2 ASP 18 34.840 16.624 -4.836 154 HB3 ASP 18 HB1 ASP 18 33.650 15.487 -5.508 155 H HIS 19 HN HIS 19 32.011 14.743 -5.263 156 HA HIS 19 HA HIS 19 29.182 15.144 -4.569 157 HB2 HIS 19 HB2 HIS 19 28.416 15.510 -6.873 158 HB3 HIS 19 HB1 HIS 19 29.498 16.829 -6.366 159 HD1 HIS 19 HD1 HIS 19 29.248 16.415 -9.350 160 HD2 HIS 19 HD2 HIS 19 31.998 14.240 -7.031 161 HE1 HIS 19 HE1 HIS 19 31.115 15.636 -10.912 162 H LEU 20 HN LEU 20 30.584 13.005 -3.899 163 HA LEU 20 HA LEU 20 29.279 10.892 -5.400 164 HB2 LEU 20 HB2 LEU 20 31.063 11.196 -6.993 165 HB3 LEU 20 HB1 LEU 20 32.283 11.275 -5.704 166 HG LEU 20 HG LEU 20 31.989 8.928 -5.173 167 HD11 LEU 20 HD11 LEU 20 29.592 9.138 -7.038 168 HD12 LEU 20 HD12 LEU 20 29.639 8.565 -5.353 169 HD13 LEU 20 HD13 LEU 20 30.340 7.570 -6.649 170 HD21 LEU 20 HD21 LEU 20 33.394 9.513 -7.160 171 HD22 LEU 20 HD22 LEU 20 31.975 9.265 -8.206 172 HD23 LEU 20 HD23 LEU 20 32.661 7.898 -7.295 Start of MODEL 61 1 H1 TRP 1 HT1 TRP 1 40.135 1.846 6.783 2 H2 TRP 1 HT2 TRP 1 41.222 1.291 7.967 3 H3 TRP 1 HT3 TRP 1 41.415 0.825 6.344 4 HA TRP 1 HA TRP 1 42.969 2.558 7.141 5 HB2 TRP 1 HB2 TRP 1 41.111 3.313 4.851 6 HB3 TRP 1 HB1 TRP 1 42.792 3.852 5.077 7 HD1 TRP 1 HD1 TRP 1 40.725 1.031 3.727 8 HE1 TRP 1 HE1 TRP 1 42.248 -0.855 2.787 9 HE3 TRP 1 HE3 TRP 1 45.228 2.649 5.546 10 HZ2 TRP 1 HZ2 TRP 1 45.045 -1.539 2.837 11 HZ3 TRP 1 HZ3 TRP 1 47.312 1.365 5.088 12 HH2 TRP 1 HH2 TRP 1 47.224 -0.726 3.736 13 H LEU 2 HN LEU 2 41.651 3.089 9.252 14 HA LEU 2 HA LEU 2 40.873 4.789 10.623 15 HB2 LEU 2 HB2 LEU 2 41.370 6.705 8.326 16 HB3 LEU 2 HB1 LEU 2 41.375 7.053 10.069 17 HG LEU 2 HG LEU 2 43.379 5.311 8.564 18 HD11 LEU 2 HD11 LEU 2 44.969 7.061 9.073 19 HD12 LEU 2 HD12 LEU 2 43.786 7.914 10.095 20 HD13 LEU 2 HD13 LEU 2 43.547 7.834 8.332 21 HD21 LEU 2 HD21 LEU 2 42.944 5.866 11.527 22 HD22 LEU 2 HD22 LEU 2 44.544 5.407 10.893 23 HD23 LEU 2 HD23 LEU 2 43.167 4.300 10.711 24 H ARG 3 HN ARG 3 39.409 3.965 7.729 25 HA ARG 3 HA ARG 3 37.188 3.982 7.101 26 HB2 ARG 3 HB2 ARG 3 36.860 3.934 9.707 27 HB3 ARG 3 HB1 ARG 3 36.428 5.649 9.524 28 HG2 ARG 3 HG2 ARG 3 34.718 4.999 7.812 29 HG3 ARG 3 HG1 ARG 3 35.104 3.288 8.118 30 HD2 ARG 3 HD2 ARG 3 33.145 3.924 9.444 31 HD3 ARG 3 HD1 ARG 3 34.523 3.630 10.532 32 HE ARG 3 HE ARG 3 34.485 6.405 9.863 33 HH11 ARG 3 HH11 ARG 3 31.761 6.720 10.255 34 HH12 ARG 3 HH12 ARG 3 31.496 6.644 11.966 35 HH21 ARG 3 HH21 ARG 3 34.547 5.141 12.642 36 HH22 ARG 3 HH22 ARG 3 33.072 5.751 13.316 37 H ARG 4 HN ARG 4 37.491 7.115 8.847 38 HA ARG 4 HA ARG 4 36.214 8.562 6.701 39 HB2 ARG 4 HB2 ARG 4 37.942 9.518 9.017 40 HB3 ARG 4 HB1 ARG 4 36.992 10.580 7.949 41 HG2 ARG 4 HG2 ARG 4 34.916 9.481 8.622 42 HG3 ARG 4 HG1 ARG 4 35.821 8.295 9.593 43 HD2 ARG 4 HD2 ARG 4 36.600 10.032 11.105 44 HD3 ARG 4 HD1 ARG 4 35.904 11.303 10.072 45 HE ARG 4 HE ARG 4 33.760 9.619 10.746 46 HH11 ARG 4 HH11 ARG 4 32.994 12.072 11.575 47 HH12 ARG 4 HH12 ARG 4 33.353 12.206 13.264 48 HH21 ARG 4 HH21 ARG 4 35.583 9.549 13.270 49 HH22 ARG 4 HH22 ARG 4 34.820 10.776 14.224 50 H ILE 5 HN ILE 5 39.162 7.077 6.755 51 HA ILE 5 HA ILE 5 41.089 7.312 5.489 52 HB ILE 5 HB ILE 5 39.476 9.204 3.729 53 HG12 ILE 5 HG12 ILE 5 38.028 7.328 3.977 54 HG13 ILE 5 HG11 ILE 5 38.887 7.035 2.454 55 HG21 ILE 5 HG21 ILE 5 41.898 7.411 3.301 56 HG22 ILE 5 HG22 ILE 5 41.744 9.159 3.031 57 HG23 ILE 5 HG23 ILE 5 40.922 8.019 1.945 58 HD11 ILE 5 HD1 ILE 5 39.368 5.730 5.162 59 HD12 ILE 5 HD2 ILE 5 40.540 5.614 3.831 60 HD13 ILE 5 HD3 ILE 5 38.905 4.951 3.634 61 H GLY 6 HN GLY 6 41.733 8.591 7.504 62 HA2 GLY 6 HA1 GLY 6 42.828 10.413 8.416 63 HA3 GLY 6 HA2 GLY 6 43.372 10.739 6.759 64 H LYS 7 HN LYS 7 40.001 10.764 7.853 65 HA LYS 7 HA LYS 7 38.430 12.470 7.771 66 HB2 LYS 7 HB2 LYS 7 39.906 13.190 9.716 67 HB3 LYS 7 HB1 LYS 7 40.726 14.291 8.584 68 HG2 LYS 7 HG2 LYS 7 38.503 15.323 8.042 69 HG3 LYS 7 HG1 LYS 7 37.758 14.291 9.287 70 HD2 LYS 7 HD2 LYS 7 39.216 15.286 11.011 71 HD3 LYS 7 HD1 LYS 7 40.007 16.294 9.774 72 HE2 LYS 7 HE2 LYS 7 37.729 17.271 9.236 73 HE3 LYS 7 HE1 LYS 7 37.090 16.398 10.650 74 HZ1 LYS 7 HZ1 LYS 7 39.466 18.130 10.925 75 HZ2 LYS 7 HZ2 LYS 7 38.326 17.674 12.099 76 HZ3 LYS 7 HZ3 LYS 7 37.917 18.820 10.914 77 H GLY 8 HN GLY 8 38.352 12.209 5.425 78 HA2 GLY 8 HA1 GLY 8 38.236 13.156 3.319 79 HA3 GLY 8 HA2 GLY 8 38.523 14.728 4.089 80 H VAL 9 HN VAL 9 39.513 13.471 1.531 81 HA VAL 9 HA VAL 9 42.341 12.957 1.922 82 HB VAL 9 HB VAL 9 40.812 13.760 -0.598 83 HG11 VAL 9 HG11 VAL 9 43.633 12.714 -0.116 84 HG12 VAL 9 HG12 VAL 9 43.156 14.214 -0.945 85 HG13 VAL 9 HG13 VAL 9 42.831 12.637 -1.702 86 HG21 VAL 9 HG21 VAL 9 41.673 11.060 0.536 87 HG22 VAL 9 HG22 VAL 9 40.967 11.306 -1.079 88 HG23 VAL 9 HG23 VAL 9 40.003 11.655 0.375 89 H LYS 10 HN LYS 10 41.258 15.475 -0.336 90 HA LYS 10 HA LYS 10 42.222 17.693 1.247 91 HB2 LYS 10 HB2 LYS 10 44.390 16.493 0.703 92 HB3 LYS 10 HB1 LYS 10 44.068 16.840 -1.014 93 HG2 LYS 10 HG2 LYS 10 43.983 19.262 -0.517 94 HG3 LYS 10 HG1 LYS 10 44.293 18.924 1.204 95 HD2 LYS 10 HD2 LYS 10 46.468 17.937 0.657 96 HD3 LYS 10 HD1 LYS 10 46.154 18.149 -1.083 97 HE2 LYS 10 HE2 LYS 10 47.571 19.981 -0.340 98 HE3 LYS 10 HE1 LYS 10 45.948 20.631 -0.677 99 HZ1 LYS 10 HZ1 LYS 10 47.337 20.304 1.871 100 HZ2 LYS 10 HZ2 LYS 10 45.667 19.987 1.876 101 HZ3 LYS 10 HZ3 LYS 10 46.248 21.504 1.373 102 H ILE 11 HN ILE 11 41.219 16.224 -1.761 103 HA ILE 11 HA ILE 11 40.224 18.916 -2.692 104 HB ILE 11 HB ILE 11 41.261 16.755 -4.565 105 HG12 ILE 11 HG12 ILE 11 42.716 19.186 -3.427 106 HG13 ILE 11 HG11 ILE 11 43.146 17.479 -3.175 107 HG21 ILE 11 HG21 ILE 11 41.132 18.470 -6.239 108 HG22 ILE 11 HG22 ILE 11 40.923 19.749 -5.020 109 HG23 ILE 11 HG23 ILE 11 39.612 18.585 -5.324 110 HD11 ILE 11 HD1 ILE 11 43.318 17.343 -5.772 111 HD12 ILE 11 HD2 ILE 11 44.615 18.191 -4.898 112 HD13 ILE 11 HD3 ILE 11 43.343 19.124 -5.720 113 H ILE 12 HN ILE 12 40.012 15.356 -2.994 114 HA ILE 12 HA ILE 12 37.242 15.582 -4.054 115 HB ILE 12 HB ILE 12 38.968 13.169 -3.386 116 HG12 ILE 12 HG12 ILE 12 38.321 14.098 -6.217 117 HG13 ILE 12 HG11 ILE 12 39.648 14.875 -5.328 118 HG21 ILE 12 HG21 ILE 12 36.723 12.384 -3.398 119 HG22 ILE 12 HG22 ILE 12 37.246 12.085 -5.066 120 HG23 ILE 12 HG23 ILE 12 36.236 13.500 -4.694 121 HD11 ILE 12 HD1 ILE 12 40.652 12.601 -4.928 122 HD12 ILE 12 HD2 ILE 12 40.561 13.046 -6.648 123 HD13 ILE 12 HD3 ILE 12 39.387 11.902 -5.963 124 H GLY 13 HN GLY 13 38.191 12.946 -1.906 125 HA2 GLY 13 HA1 GLY 13 35.891 13.201 -0.243 126 HA3 GLY 13 HA2 GLY 13 37.388 12.337 0.180 127 H GLY 14 HN GLY 14 38.534 15.080 -0.723 128 HA2 GLY 14 HA1 GLY 14 38.848 16.172 1.997 129 HA3 GLY 14 HA2 GLY 14 39.645 16.735 0.512 130 H ALA 15 HN ALA 15 37.576 17.250 -1.220 131 HA ALA 15 HA ALA 15 36.376 19.645 0.112 132 HB1 ALA 15 HB1 ALA 15 37.330 19.707 -2.233 133 HB2 ALA 15 HB2 ALA 15 35.653 20.283 -2.088 134 HB3 ALA 15 HB3 ALA 15 35.980 18.659 -2.735 135 H ALA 16 HN ALA 16 35.716 16.919 0.930 136 HA ALA 16 HA ALA 16 33.806 15.888 1.716 137 HB1 ALA 16 HB1 ALA 16 31.739 16.981 1.743 138 HB2 ALA 16 HB2 ALA 16 31.998 17.750 0.160 139 HB3 ALA 16 HB3 ALA 16 32.871 18.344 1.593 140 H LEU 17 HN LEU 17 35.233 14.994 -0.565 141 HA LEU 17 HA LEU 17 34.936 13.555 -2.372 142 HB2 LEU 17 HB2 LEU 17 33.239 12.701 -0.369 143 HB3 LEU 17 HB1 LEU 17 32.087 12.893 -1.704 144 HG LEU 17 HG LEU 17 34.678 11.272 -1.838 145 HD11 LEU 17 HD11 LEU 17 33.221 9.308 -1.762 146 HD12 LEU 17 HD12 LEU 17 31.776 10.343 -1.689 147 HD13 LEU 17 HD13 LEU 17 32.920 10.313 -0.326 148 HD21 LEU 17 HD21 LEU 17 32.359 11.698 -3.774 149 HD22 LEU 17 HD22 LEU 17 33.559 10.395 -3.948 150 HD23 LEU 17 HD23 LEU 17 34.074 12.095 -4.037 151 H ASP 18 HN ASP 18 33.740 16.448 -2.274 152 HA ASP 18 HA ASP 18 32.658 17.852 -3.764 153 HB2 ASP 18 HB2 ASP 18 34.353 16.960 -5.312 154 HB3 ASP 18 HB1 ASP 18 33.276 15.605 -5.724 155 H HIS 19 HN HIS 19 31.645 14.861 -5.420 156 HA HIS 19 HA HIS 19 28.935 15.678 -5.653 157 HB2 HIS 19 HB2 HIS 19 30.085 12.859 -5.612 158 HB3 HIS 19 HB1 HIS 19 28.483 13.320 -6.235 159 HD1 HIS 19 HD1 HIS 19 31.977 12.927 -7.248 160 HD2 HIS 19 HD2 HIS 19 28.695 15.233 -8.512 161 HE1 HIS 19 HE1 HIS 19 32.531 13.830 -9.573 162 H LEU 20 HN LEU 20 30.689 14.365 -2.974 163 HA LEU 20 HA LEU 20 30.012 13.686 -0.868 164 HB2 LEU 20 HB2 LEU 20 29.165 16.015 -0.843 165 HB3 LEU 20 HB1 LEU 20 27.622 15.458 -1.523 166 HG LEU 20 HG LEU 20 27.262 14.026 0.492 167 HD11 LEU 20 HD11 LEU 20 28.837 14.719 2.507 168 HD12 LEU 20 HD12 LEU 20 29.991 15.146 1.221 169 HD13 LEU 20 HD13 LEU 20 29.388 13.477 1.362 170 HD21 LEU 20 HD21 LEU 20 26.378 16.341 0.391 171 HD22 LEU 20 HD22 LEU 20 27.890 16.949 1.106 172 HD23 LEU 20 HD23 LEU 20 26.818 15.892 2.055 Start of MODEL 62 1 H1 TRP 1 HT1 TRP 1 38.518 -0.073 8.613 2 H2 TRP 1 HT2 TRP 1 37.584 -0.831 9.814 3 H3 TRP 1 HT3 TRP 1 39.150 -0.278 10.172 4 HA TRP 1 HA TRP 1 37.442 1.752 9.124 5 HB2 TRP 1 HB2 TRP 1 36.822 0.692 11.903 6 HB3 TRP 1 HB1 TRP 1 35.958 1.947 10.981 7 HD1 TRP 1 HD1 TRP 1 35.444 0.673 8.273 8 HE1 TRP 1 HE1 TRP 1 33.951 -1.433 7.957 9 HE3 TRP 1 HE3 TRP 1 35.709 -1.226 13.020 10 HZ2 TRP 1 HZ2 TRP 1 33.017 -3.627 9.571 11 HZ3 TRP 1 HZ3 TRP 1 34.509 -3.326 13.610 12 HH2 TRP 1 HH2 TRP 1 33.165 -4.528 11.890 13 H LEU 2 HN LEU 2 39.019 3.241 9.156 14 HA LEU 2 HA LEU 2 41.072 3.277 11.210 15 HB2 LEU 2 HB2 LEU 2 41.609 4.117 9.010 16 HB3 LEU 2 HB1 LEU 2 40.244 5.253 9.049 17 HG LEU 2 HG LEU 2 41.306 6.581 10.785 18 HD11 LEU 2 HD11 LEU 2 43.271 4.258 10.894 19 HD12 LEU 2 HD12 LEU 2 42.333 4.981 12.224 20 HD13 LEU 2 HD13 LEU 2 43.697 5.872 11.514 21 HD21 LEU 2 HD21 LEU 2 43.452 5.799 8.767 22 HD22 LEU 2 HD22 LEU 2 43.260 7.369 9.583 23 HD23 LEU 2 HD23 LEU 2 42.060 6.839 8.381 24 H ARG 3 HN ARG 3 38.911 5.956 10.302 25 HA ARG 3 HA ARG 3 37.922 6.240 13.075 26 HB2 ARG 3 HB2 ARG 3 40.133 7.427 13.081 27 HB3 ARG 3 HB1 ARG 3 39.548 8.456 11.752 28 HG2 ARG 3 HG2 ARG 3 37.807 9.397 13.127 29 HG3 ARG 3 HG1 ARG 3 38.084 8.194 14.410 30 HD2 ARG 3 HD2 ARG 3 40.230 9.141 14.955 31 HD3 ARG 3 HD1 ARG 3 40.214 10.170 13.501 32 HE ARG 3 HE ARG 3 37.954 10.686 15.285 33 HH11 ARG 3 HH11 ARG 3 37.920 13.034 15.386 34 HH12 ARG 3 HH12 ARG 3 39.402 13.819 15.823 35 HH21 ARG 3 HH21 ARG 3 41.324 10.951 15.504 36 HH22 ARG 3 HH22 ARG 3 41.329 12.640 15.890 37 H ARG 4 HN ARG 4 37.845 6.613 9.715 38 HA ARG 4 HA ARG 4 35.063 7.501 9.787 39 HB2 ARG 4 HB2 ARG 4 36.577 9.632 9.951 40 HB3 ARG 4 HB1 ARG 4 36.971 9.303 8.249 41 HG2 ARG 4 HG2 ARG 4 34.579 9.394 7.655 42 HG3 ARG 4 HG1 ARG 4 34.147 9.642 9.364 43 HD2 ARG 4 HD2 ARG 4 35.448 11.749 9.389 44 HD3 ARG 4 HD1 ARG 4 35.880 11.504 7.681 45 HE ARG 4 HE ARG 4 33.397 12.604 8.621 46 HH11 ARG 4 HH11 ARG 4 34.170 13.215 5.918 47 HH12 ARG 4 HH12 ARG 4 33.163 12.200 4.942 48 HH21 ARG 4 HH21 ARG 4 32.330 10.069 7.547 49 HH22 ARG 4 HH22 ARG 4 32.122 10.418 5.863 50 H ILE 5 HN ILE 5 37.446 5.632 8.696 51 HA ILE 5 HA ILE 5 37.688 4.248 6.864 52 HB ILE 5 HB ILE 5 34.919 5.132 5.949 53 HG12 ILE 5 HG12 ILE 5 35.712 3.069 8.055 54 HG13 ILE 5 HG11 ILE 5 34.797 4.569 8.338 55 HG21 ILE 5 HG21 ILE 5 34.839 2.990 4.880 56 HG22 ILE 5 HG22 ILE 5 36.271 2.410 5.764 57 HG23 ILE 5 HG23 ILE 5 36.446 3.647 4.498 58 HD11 ILE 5 HD1 ILE 5 33.922 2.071 6.851 59 HD12 ILE 5 HD2 ILE 5 33.104 3.633 6.593 60 HD13 ILE 5 HD3 ILE 5 33.122 2.892 8.210 61 H GLY 6 HN GLY 6 35.560 6.667 5.284 62 HA2 GLY 6 HA1 GLY 6 37.553 6.976 3.138 63 HA3 GLY 6 HA2 GLY 6 35.938 7.708 3.218 64 H LYS 7 HN LYS 7 38.997 7.818 5.105 65 HA LYS 7 HA LYS 7 38.673 10.394 6.161 66 HB2 LYS 7 HB2 LYS 7 40.527 8.709 6.640 67 HB3 LYS 7 HB1 LYS 7 41.323 9.291 5.159 68 HG2 LYS 7 HG2 LYS 7 41.429 11.564 6.050 69 HG3 LYS 7 HG1 LYS 7 40.502 11.078 7.490 70 HD2 LYS 7 HD2 LYS 7 42.313 9.474 8.094 71 HD3 LYS 7 HD1 LYS 7 43.252 10.032 6.688 72 HE2 LYS 7 HE2 LYS 7 42.346 11.746 9.043 73 HE3 LYS 7 HE1 LYS 7 44.009 11.202 8.715 74 HZ1 LYS 7 HZ1 LYS 7 43.662 12.352 6.464 75 HZ2 LYS 7 HZ2 LYS 7 43.931 13.330 7.828 76 HZ3 LYS 7 HZ3 LYS 7 42.360 13.143 7.209 77 H GLY 8 HN GLY 8 38.516 12.366 5.333 78 HA2 GLY 8 HA1 GLY 8 38.470 12.921 2.585 79 HA3 GLY 8 HA2 GLY 8 38.737 14.130 3.855 80 H VAL 9 HN VAL 9 39.920 13.196 1.033 81 HA VAL 9 HA VAL 9 42.738 12.836 1.612 82 HB VAL 9 HB VAL 9 41.354 13.755 -0.948 83 HG11 VAL 9 HG11 VAL 9 43.521 12.854 -1.973 84 HG12 VAL 9 HG12 VAL 9 44.194 12.849 -0.325 85 HG13 VAL 9 HG13 VAL 9 43.678 14.380 -1.071 86 HG21 VAL 9 HG21 VAL 9 40.669 11.501 -0.101 87 HG22 VAL 9 HG22 VAL 9 42.380 11.014 -0.080 88 HG23 VAL 9 HG23 VAL 9 41.584 11.402 -1.625 89 H LYS 10 HN LYS 10 41.500 15.486 -0.426 90 HA LYS 10 HA LYS 10 42.289 17.595 1.366 91 HB2 LYS 10 HB2 LYS 10 44.561 16.821 0.927 92 HB3 LYS 10 HB1 LYS 10 44.263 16.827 -0.824 93 HG2 LYS 10 HG2 LYS 10 45.558 18.819 -0.063 94 HG3 LYS 10 HG1 LYS 10 44.014 19.273 -0.813 95 HD2 LYS 10 HD2 LYS 10 43.016 19.815 1.276 96 HD3 LYS 10 HD1 LYS 10 44.232 18.900 2.199 97 HE2 LYS 10 HE2 LYS 10 44.785 21.434 0.591 98 HE3 LYS 10 HE1 LYS 10 44.585 21.364 2.357 99 HZ1 LYS 10 HZ1 LYS 10 46.712 20.822 2.522 100 HZ2 LYS 10 HZ2 LYS 10 46.890 20.842 0.832 101 HZ3 LYS 10 HZ3 LYS 10 46.441 19.408 1.623 102 H ILE 11 HN ILE 11 41.309 16.308 -1.687 103 HA ILE 11 HA ILE 11 40.142 18.982 -2.420 104 HB ILE 11 HB ILE 11 41.354 17.088 -4.474 105 HG12 ILE 11 HG12 ILE 11 42.590 19.539 -3.133 106 HG13 ILE 11 HG11 ILE 11 43.172 17.862 -3.017 107 HG21 ILE 11 HG21 ILE 11 41.058 18.920 -5.993 108 HG22 ILE 11 HG22 ILE 11 40.744 20.067 -4.668 109 HG23 ILE 11 HG23 ILE 11 39.541 18.820 -5.072 110 HD11 ILE 11 HD1 ILE 11 43.209 19.715 -5.422 111 HD12 ILE 11 HD2 ILE 11 43.344 17.950 -5.616 112 HD13 ILE 11 HD3 ILE 11 44.563 18.839 -4.674 113 H ILE 12 HN ILE 12 40.240 15.460 -3.064 114 HA ILE 12 HA ILE 12 37.524 15.497 -4.183 115 HB ILE 12 HB ILE 12 39.292 13.187 -3.297 116 HG12 ILE 12 HG12 ILE 12 38.872 14.291 -6.116 117 HG13 ILE 12 HG11 ILE 12 40.253 14.730 -5.089 118 HG21 ILE 12 HG21 ILE 12 36.826 13.304 -5.103 119 HG22 ILE 12 HG22 ILE 12 36.937 12.506 -3.518 120 HG23 ILE 12 HG23 ILE 12 37.846 11.864 -4.896 121 HD11 ILE 12 HD1 ILE 12 39.617 12.073 -6.397 122 HD12 ILE 12 HD2 ILE 12 40.582 12.093 -4.902 123 HD13 ILE 12 HD3 ILE 12 41.155 12.962 -6.344 124 H GLY 13 HN GLY 13 38.446 13.003 -1.854 125 HA2 GLY 13 HA1 GLY 13 36.000 13.225 -0.392 126 HA3 GLY 13 HA2 GLY 13 37.487 12.425 0.177 127 H GLY 14 HN GLY 14 38.563 15.201 -0.779 128 HA2 GLY 14 HA1 GLY 14 38.705 16.393 1.909 129 HA3 GLY 14 HA2 GLY 14 39.531 16.953 0.437 130 H ALA 15 HN ALA 15 37.431 17.245 -1.378 131 HA ALA 15 HA ALA 15 36.095 19.642 -0.175 132 HB1 ALA 15 HB1 ALA 15 35.862 18.479 -2.978 133 HB2 ALA 15 HB2 ALA 15 37.033 19.732 -2.492 134 HB3 ALA 15 HB3 ALA 15 35.288 20.069 -2.432 135 H ALA 16 HN ALA 16 35.591 16.943 0.787 136 HA ALA 16 HA ALA 16 33.753 15.799 1.578 137 HB1 ALA 16 HB1 ALA 16 31.849 17.520 -0.028 138 HB2 ALA 16 HB2 ALA 16 32.673 18.190 1.400 139 HB3 ALA 16 HB3 ALA 16 31.620 16.766 1.568 140 H LEU 17 HN LEU 17 35.260 15.047 -0.744 141 HA LEU 17 HA LEU 17 35.077 13.610 -2.562 142 HB2 LEU 17 HB2 LEU 17 33.734 12.447 -0.534 143 HB3 LEU 17 HB1 LEU 17 32.367 12.633 -1.649 144 HG LEU 17 HG LEU 17 35.016 11.277 -2.355 145 HD11 LEU 17 HD11 LEU 17 33.670 10.054 -0.633 146 HD12 LEU 17 HD12 LEU 17 33.780 9.176 -2.178 147 HD13 LEU 17 HD13 LEU 17 32.291 10.054 -1.757 148 HD21 LEU 17 HD21 LEU 17 33.640 10.432 -4.300 149 HD22 LEU 17 HD22 LEU 17 33.914 12.189 -4.331 150 HD23 LEU 17 HD23 LEU 17 32.342 11.540 -3.802 151 H ASP 18 HN ASP 18 34.475 16.090 -3.292 152 HA ASP 18 HA ASP 18 33.353 17.348 -4.878 153 HB2 ASP 18 HB2 ASP 18 32.490 14.615 -5.910 154 HB3 ASP 18 HB1 ASP 18 32.441 16.144 -6.820 155 H HIS 19 HN HIS 19 30.995 14.670 -4.885 156 HA HIS 19 HA HIS 19 29.101 16.141 -3.197 157 HB2 HIS 19 HB2 HIS 19 27.370 16.297 -5.036 158 HB3 HIS 19 HB1 HIS 19 28.736 17.424 -5.209 159 HD1 HIS 19 HD1 HIS 19 27.810 17.253 -7.838 160 HD2 HIS 19 HD2 HIS 19 29.959 13.994 -6.269 161 HE1 HIS 19 HE1 HIS 19 28.609 15.843 -9.814 162 H LEU 20 HN LEU 20 30.183 13.675 -2.809 163 HA LEU 20 HA LEU 20 27.786 12.010 -2.817 164 HB2 LEU 20 HB2 LEU 20 28.979 11.793 -5.172 165 HB3 LEU 20 HB1 LEU 20 30.138 10.777 -4.287 166 HG LEU 20 HG LEU 20 27.117 10.358 -4.474 167 HD11 LEU 20 HD11 LEU 20 28.539 9.777 -6.488 168 HD12 LEU 20 HD12 LEU 20 27.691 8.388 -5.768 169 HD13 LEU 20 HD13 LEU 20 29.427 8.630 -5.458 170 HD21 LEU 20 HD21 LEU 20 27.783 8.136 -3.299 171 HD22 LEU 20 HD22 LEU 20 27.723 9.600 -2.294 172 HD23 LEU 20 HD23 LEU 20 29.291 8.968 -2.856 Start of MODEL 63 1 H1 TRP 1 HT1 TRP 1 41.712 18.741 16.362 2 H2 TRP 1 HT2 TRP 1 40.140 18.908 16.983 3 H3 TRP 1 HT3 TRP 1 40.526 19.541 15.454 4 HA TRP 1 HA TRP 1 41.177 16.824 15.517 5 HB2 TRP 1 HB2 TRP 1 38.280 17.470 16.186 6 HB3 TRP 1 HB1 TRP 1 38.977 15.860 15.887 7 HD1 TRP 1 HD1 TRP 1 38.166 18.150 18.629 8 HE1 TRP 1 HE1 TRP 1 39.333 17.462 20.848 9 HE3 TRP 1 HE3 TRP 1 41.546 14.795 16.752 10 HZ2 TRP 1 HZ2 TRP 1 41.451 15.687 21.663 11 HZ3 TRP 1 HZ3 TRP 1 43.131 13.616 18.268 12 HH2 TRP 1 HH2 TRP 1 43.087 14.058 20.720 13 H LEU 2 HN LEU 2 41.651 18.652 13.663 14 HA LEU 2 HA LEU 2 41.337 19.104 11.415 15 HB2 LEU 2 HB2 LEU 2 39.196 16.957 11.384 16 HB3 LEU 2 HB1 LEU 2 40.222 17.508 10.043 17 HG LEU 2 HG LEU 2 41.117 15.973 12.523 18 HD11 LEU 2 HD11 LEU 2 41.268 15.274 9.560 19 HD12 LEU 2 HD12 LEU 2 39.986 14.706 10.656 20 HD13 LEU 2 HD13 LEU 2 41.676 14.220 10.934 21 HD21 LEU 2 HD21 LEU 2 43.370 15.994 11.227 22 HD22 LEU 2 HD22 LEU 2 42.910 17.487 12.074 23 HD23 LEU 2 HD23 LEU 2 42.689 17.359 10.311 24 H ARG 3 HN ARG 3 38.915 19.452 13.708 25 HA ARG 3 HA ARG 3 37.106 20.874 13.861 26 HB2 ARG 3 HB2 ARG 3 37.926 22.030 11.172 27 HB3 ARG 3 HB1 ARG 3 36.982 22.810 12.459 28 HG2 ARG 3 HG2 ARG 3 38.944 22.688 13.974 29 HG3 ARG 3 HG1 ARG 3 39.896 21.934 12.674 30 HD2 ARG 3 HD2 ARG 3 38.536 24.644 12.389 31 HD3 ARG 3 HD1 ARG 3 40.222 24.447 12.925 32 HE ARG 3 HE ARG 3 39.916 22.989 10.504 33 HH11 ARG 3 HH11 ARG 3 38.245 25.476 9.941 34 HH12 ARG 3 HH12 ARG 3 39.432 26.523 9.237 35 HH21 ARG 3 HH21 ARG 3 42.131 24.653 10.352 36 HH22 ARG 3 HH22 ARG 3 41.632 26.057 9.468 37 H ARG 4 HN ARG 4 37.261 20.473 10.291 38 HA ARG 4 HA ARG 4 34.459 20.073 10.018 39 HB2 ARG 4 HB2 ARG 4 36.165 20.637 8.202 40 HB3 ARG 4 HB1 ARG 4 36.596 18.913 8.192 41 HG2 ARG 4 HG2 ARG 4 34.347 18.280 7.548 42 HG3 ARG 4 HG1 ARG 4 33.754 19.941 7.782 43 HD2 ARG 4 HD2 ARG 4 35.835 19.069 5.730 44 HD3 ARG 4 HD1 ARG 4 34.134 19.459 5.382 45 HE ARG 4 HE ARG 4 35.371 21.668 6.745 46 HH11 ARG 4 HH11 ARG 4 36.173 19.919 3.945 47 HH12 ARG 4 HH12 ARG 4 36.229 21.304 2.906 48 HH21 ARG 4 HH21 ARG 4 35.066 23.497 5.327 49 HH22 ARG 4 HH22 ARG 4 35.604 23.329 3.689 50 H ILE 5 HN ILE 5 36.772 18.082 11.458 51 HA ILE 5 HA ILE 5 36.913 15.765 11.808 52 HB ILE 5 HB ILE 5 34.850 14.877 12.960 53 HG12 ILE 5 HG12 ILE 5 33.728 17.662 12.394 54 HG13 ILE 5 HG11 ILE 5 33.230 16.196 11.521 55 HG21 ILE 5 HG21 ILE 5 35.074 16.307 14.879 56 HG22 ILE 5 HG22 ILE 5 35.567 17.690 13.877 57 HG23 ILE 5 HG23 ILE 5 36.657 16.300 14.073 58 HD11 ILE 5 HD1 ILE 5 32.715 15.202 13.867 59 HD12 ILE 5 HD2 ILE 5 31.608 16.442 13.236 60 HD13 ILE 5 HD3 ILE 5 32.828 16.880 14.452 61 H GLY 6 HN GLY 6 36.639 16.143 9.087 62 HA2 GLY 6 HA1 GLY 6 35.590 13.563 8.316 63 HA3 GLY 6 HA2 GLY 6 34.510 14.871 7.792 64 H LYS 7 HN LYS 7 37.541 16.183 7.952 65 HA LYS 7 HA LYS 7 37.798 16.574 5.166 66 HB2 LYS 7 HB2 LYS 7 38.985 17.809 7.061 67 HB3 LYS 7 HB1 LYS 7 40.131 16.447 7.113 68 HG2 LYS 7 HG2 LYS 7 40.435 16.837 4.565 69 HG3 LYS 7 HG1 LYS 7 39.610 18.392 4.830 70 HD2 LYS 7 HD2 LYS 7 42.170 17.442 6.193 71 HD3 LYS 7 HD1 LYS 7 42.039 18.716 4.958 72 HE2 LYS 7 HE2 LYS 7 40.408 19.892 6.592 73 HE3 LYS 7 HE1 LYS 7 41.014 18.751 7.819 74 HZ1 LYS 7 HZ1 LYS 7 42.840 19.961 8.034 75 HZ2 LYS 7 HZ2 LYS 7 42.194 21.117 6.970 76 HZ3 LYS 7 HZ3 LYS 7 43.177 19.866 6.376 77 H GLY 8 HN GLY 8 37.614 14.769 3.895 78 HA2 GLY 8 HA1 GLY 8 38.894 12.278 4.395 79 HA3 GLY 8 HA2 GLY 8 38.327 12.853 2.814 80 H VAL 9 HN VAL 9 39.768 13.394 1.290 81 HA VAL 9 HA VAL 9 42.605 12.932 1.886 82 HB VAL 9 HB VAL 9 41.251 13.893 -0.677 83 HG11 VAL 9 HG11 VAL 9 44.060 12.908 -0.026 84 HG12 VAL 9 HG12 VAL 9 43.594 14.473 -0.737 85 HG13 VAL 9 HG13 VAL 9 43.412 12.976 -1.683 86 HG21 VAL 9 HG21 VAL 9 42.187 11.124 0.205 87 HG22 VAL 9 HG22 VAL 9 41.487 11.534 -1.379 88 HG23 VAL 9 HG23 VAL 9 40.491 11.653 0.091 89 H LYS 10 HN LYS 10 41.324 15.597 -0.111 90 HA LYS 10 HA LYS 10 42.091 17.702 1.705 91 HB2 LYS 10 HB2 LYS 10 44.373 16.853 1.128 92 HB3 LYS 10 HB1 LYS 10 44.029 17.185 -0.587 93 HG2 LYS 10 HG2 LYS 10 43.737 19.560 -0.129 94 HG3 LYS 10 HG1 LYS 10 43.884 19.281 1.623 95 HD2 LYS 10 HD2 LYS 10 46.201 18.502 1.328 96 HD3 LYS 10 HD1 LYS 10 46.061 18.705 -0.434 97 HE2 LYS 10 HE2 LYS 10 47.208 20.643 0.629 98 HE3 LYS 10 HE1 LYS 10 45.679 21.123 -0.146 99 HZ1 LYS 10 HZ1 LYS 10 44.752 21.620 1.818 100 HZ2 LYS 10 HZ2 LYS 10 46.350 21.701 2.392 101 HZ3 LYS 10 HZ3 LYS 10 45.434 20.287 2.617 102 H ILE 11 HN ILE 11 41.307 16.463 -1.461 103 HA ILE 11 HA ILE 11 39.933 19.061 -2.102 104 HB ILE 11 HB ILE 11 41.395 17.390 -4.191 105 HG12 ILE 11 HG12 ILE 11 42.334 19.899 -2.722 106 HG13 ILE 11 HG11 ILE 11 43.053 18.277 -2.591 107 HG21 ILE 11 HG21 ILE 11 39.449 18.971 -4.789 108 HG22 ILE 11 HG22 ILE 11 40.984 19.258 -5.638 109 HG23 ILE 11 HG23 ILE 11 40.509 20.304 -4.277 110 HD11 ILE 11 HD1 ILE 11 43.361 18.420 -5.174 111 HD12 ILE 11 HD2 ILE 11 44.443 19.398 -4.156 112 HD13 ILE 11 HD3 ILE 11 43.061 20.162 -4.971 113 H ILE 12 HN ILE 12 40.400 15.632 -3.045 114 HA ILE 12 HA ILE 12 37.715 15.464 -4.199 115 HB ILE 12 HB ILE 12 39.672 13.300 -3.358 116 HG12 ILE 12 HG12 ILE 12 40.764 14.741 -4.963 117 HG13 ILE 12 HG11 ILE 12 40.301 13.254 -5.812 118 HG21 ILE 12 HG21 ILE 12 37.051 13.262 -4.880 119 HG22 ILE 12 HG22 ILE 12 37.687 12.107 -3.691 120 HG23 ILE 12 HG23 ILE 12 38.315 12.103 -5.353 121 HD11 ILE 12 HD1 ILE 12 39.633 14.945 -7.317 122 HD12 ILE 12 HD2 ILE 12 39.085 16.026 -6.017 123 HD13 ILE 12 HD3 ILE 12 38.123 14.594 -6.450 124 H GLY 13 HN GLY 13 38.739 12.884 -2.033 125 HA2 GLY 13 HA1 GLY 13 36.284 12.742 -0.633 126 HA3 GLY 13 HA2 GLY 13 37.843 12.138 -0.030 127 H GLY 14 HN GLY 14 38.651 15.036 -0.736 128 HA2 GLY 14 HA1 GLY 14 38.432 16.082 2.000 129 HA3 GLY 14 HA2 GLY 14 39.275 16.832 0.625 130 H ALA 15 HN ALA 15 37.319 17.034 -1.317 131 HA ALA 15 HA ALA 15 35.572 19.122 -0.062 132 HB1 ALA 15 HB1 ALA 15 34.986 19.731 -2.324 133 HB2 ALA 15 HB2 ALA 15 35.737 18.258 -2.975 134 HB3 ALA 15 HB3 ALA 15 36.751 19.533 -2.250 135 H ALA 16 HN ALA 16 35.345 16.275 0.547 136 HA ALA 16 HA ALA 16 33.578 14.873 1.045 137 HB1 ALA 16 HB1 ALA 16 32.216 17.119 0.887 138 HB2 ALA 16 HB2 ALA 16 31.353 15.563 0.842 139 HB3 ALA 16 HB3 ALA 16 31.652 16.459 -0.665 140 H LEU 17 HN LEU 17 35.418 14.435 -1.081 141 HA LEU 17 HA LEU 17 35.635 12.986 -2.888 142 HB2 LEU 17 HB2 LEU 17 33.794 11.794 -1.280 143 HB3 LEU 17 HB1 LEU 17 32.785 12.014 -2.723 144 HG LEU 17 HG LEU 17 35.516 10.637 -2.669 145 HD11 LEU 17 HD11 LEU 17 32.672 9.549 -2.837 146 HD12 LEU 17 HD12 LEU 17 33.835 9.294 -1.514 147 HD13 LEU 17 HD13 LEU 17 34.140 8.583 -3.117 148 HD21 LEU 17 HD21 LEU 17 33.417 10.970 -4.861 149 HD22 LEU 17 HD22 LEU 17 34.854 9.927 -4.978 150 HD23 LEU 17 HD23 LEU 17 35.045 11.690 -4.839 151 H ASP 18 HN ASP 18 35.006 15.635 -3.445 152 HA ASP 18 HA ASP 18 34.123 17.006 -5.105 153 HB2 ASP 18 HB2 ASP 18 35.609 15.449 -6.411 154 HB3 ASP 18 HB1 ASP 18 34.177 14.453 -6.758 155 H HIS 19 HN HIS 19 32.207 15.672 -3.337 156 HA HIS 19 HA HIS 19 29.917 15.343 -3.176 157 HB2 HIS 19 HB2 HIS 19 29.898 17.664 -4.042 158 HB3 HIS 19 HB1 HIS 19 29.876 17.036 -5.707 159 HD1 HIS 19 HD1 HIS 19 27.666 16.200 -6.657 160 HD2 HIS 19 HD2 HIS 19 27.479 16.976 -2.529 161 HE1 HIS 19 HE1 HIS 19 25.207 16.084 -5.970 162 H LEU 20 HN LEU 20 30.476 13.054 -3.705 163 HA LEU 20 HA LEU 20 30.292 11.912 -6.259 164 HB2 LEU 20 HB2 LEU 20 30.840 10.772 -4.036 165 HB3 LEU 20 HB1 LEU 20 29.088 10.691 -3.751 166 HG LEU 20 HG LEU 20 29.011 9.575 -6.161 167 HD11 LEU 20 HD11 LEU 20 31.078 8.173 -6.553 168 HD12 LEU 20 HD12 LEU 20 31.917 9.142 -5.322 169 HD13 LEU 20 HD13 LEU 20 31.335 9.911 -6.816 170 HD21 LEU 20 HD21 LEU 20 29.369 7.339 -5.124 171 HD22 LEU 20 HD22 LEU 20 28.418 8.411 -4.068 172 HD23 LEU 20 HD23 LEU 20 30.141 8.121 -3.724 Start of MODEL 64 1 H1 TRP 1 HT1 TRP 1 36.851 1.962 5.023 2 H2 TRP 1 HT2 TRP 1 36.890 2.217 6.704 3 H3 TRP 1 HT3 TRP 1 37.520 0.784 6.042 4 HA TRP 1 HA TRP 1 38.685 3.398 6.289 5 HB2 TRP 1 HB2 TRP 1 40.764 1.979 6.208 6 HB3 TRP 1 HB1 TRP 1 39.615 1.506 7.483 7 HD1 TRP 1 HD1 TRP 1 41.184 0.310 4.252 8 HE1 TRP 1 HE1 TRP 1 40.516 -2.161 3.791 9 HE3 TRP 1 HE3 TRP 1 37.634 -0.259 7.896 10 HZ2 TRP 1 HZ2 TRP 1 38.682 -4.096 4.880 11 HZ3 TRP 1 HZ3 TRP 1 36.437 -2.426 8.167 12 HH2 TRP 1 HH2 TRP 1 36.958 -4.343 6.663 13 H LEU 2 HN LEU 2 40.100 4.347 4.808 14 HA LEU 2 HA LEU 2 39.329 3.944 2.018 15 HB2 LEU 2 HB2 LEU 2 41.614 5.675 2.994 16 HB3 LEU 2 HB1 LEU 2 40.575 5.902 1.567 17 HG LEU 2 HG LEU 2 39.746 6.154 4.492 18 HD11 LEU 2 HD11 LEU 2 39.409 8.501 3.949 19 HD12 LEU 2 HD12 LEU 2 39.765 8.200 2.231 20 HD13 LEU 2 HD13 LEU 2 41.056 8.047 3.448 21 HD21 LEU 2 HD21 LEU 2 37.549 6.958 3.394 22 HD22 LEU 2 HD22 LEU 2 37.857 5.207 3.359 23 HD23 LEU 2 HD23 LEU 2 38.141 6.191 1.902 24 H ARG 3 HN ARG 3 42.595 4.188 3.412 25 HA ARG 3 HA ARG 3 43.481 1.604 2.499 26 HB2 ARG 3 HB2 ARG 3 43.232 2.649 0.261 27 HB3 ARG 3 HB1 ARG 3 44.286 3.988 0.773 28 HG2 ARG 3 HG2 ARG 3 46.178 2.520 1.027 29 HG3 ARG 3 HG1 ARG 3 45.159 1.071 0.854 30 HD2 ARG 3 HD2 ARG 3 46.358 1.516 -1.250 31 HD3 ARG 3 HD1 ARG 3 44.609 1.757 -1.478 32 HE ARG 3 HE ARG 3 45.047 4.044 -1.878 33 HH11 ARG 3 HH11 ARG 3 46.359 4.884 0.566 34 HH12 ARG 3 HH12 ARG 3 47.986 5.215 0.076 35 HH21 ARG 3 HH21 ARG 3 47.731 3.449 -2.898 36 HH22 ARG 3 HH22 ARG 3 48.764 4.403 -1.886 37 H ARG 4 HN ARG 4 43.747 4.702 3.819 38 HA ARG 4 HA ARG 4 45.873 3.963 5.600 39 HB2 ARG 4 HB2 ARG 4 47.535 5.694 4.806 40 HB3 ARG 4 HB1 ARG 4 47.372 4.287 3.726 41 HG2 ARG 4 HG2 ARG 4 45.863 5.551 2.256 42 HG3 ARG 4 HG1 ARG 4 45.925 6.947 3.357 43 HD2 ARG 4 HD2 ARG 4 47.475 7.165 1.386 44 HD3 ARG 4 HD1 ARG 4 48.314 7.227 2.953 45 HE ARG 4 HE ARG 4 48.289 4.517 2.076 46 HH11 ARG 4 HH11 ARG 4 50.405 3.776 1.605 47 HH12 ARG 4 HH12 ARG 4 51.458 4.805 0.693 48 HH21 ARG 4 HH21 ARG 4 49.285 7.506 0.731 49 HH22 ARG 4 HH22 ARG 4 50.824 6.917 0.198 50 H ILE 5 HN ILE 5 43.203 5.592 4.719 51 HA ILE 5 HA ILE 5 42.058 7.414 5.589 52 HB ILE 5 HB ILE 5 43.893 7.166 8.010 53 HG12 ILE 5 HG12 ILE 5 43.219 4.911 7.559 54 HG13 ILE 5 HG11 ILE 5 42.142 5.488 8.844 55 HG21 ILE 5 HG21 ILE 5 42.471 9.026 8.320 56 HG22 ILE 5 HG22 ILE 5 41.597 7.719 9.144 57 HG23 ILE 5 HG23 ILE 5 41.090 8.246 7.525 58 HD11 ILE 5 HD1 ILE 5 40.737 4.355 7.273 59 HD12 ILE 5 HD2 ILE 5 41.522 5.140 5.884 60 HD13 ILE 5 HD3 ILE 5 40.474 6.085 6.967 61 H GLY 6 HN GLY 6 43.674 8.362 3.790 62 HA2 GLY 6 HA1 GLY 6 44.116 11.019 4.326 63 HA3 GLY 6 HA2 GLY 6 45.625 10.262 4.875 64 H LYS 7 HN LYS 7 43.790 8.848 2.255 65 HA LYS 7 HA LYS 7 45.956 8.747 0.473 66 HB2 LYS 7 HB2 LYS 7 43.980 7.409 0.096 67 HB3 LYS 7 HB1 LYS 7 42.961 8.855 -0.054 68 HG2 LYS 7 HG2 LYS 7 43.562 7.762 -2.258 69 HG3 LYS 7 HG1 LYS 7 44.020 9.476 -2.148 70 HD2 LYS 7 HD2 LYS 7 46.325 8.965 -1.843 71 HD3 LYS 7 HD1 LYS 7 45.985 7.268 -1.427 72 HE2 LYS 7 HE2 LYS 7 46.899 7.715 -3.795 73 HE3 LYS 7 HE1 LYS 7 45.427 6.721 -3.686 74 HZ1 LYS 7 HZ1 LYS 7 45.523 8.694 -5.339 75 HZ2 LYS 7 HZ2 LYS 7 45.207 9.650 -3.970 76 HZ3 LYS 7 HZ3 LYS 7 44.111 8.436 -4.435 77 H GLY 8 HN GLY 8 43.128 10.905 -0.026 78 HA2 GLY 8 HA1 GLY 8 44.787 13.260 -0.354 79 HA3 GLY 8 HA2 GLY 8 44.287 12.588 -1.920 80 H VAL 9 HN VAL 9 42.618 12.840 1.241 81 HA VAL 9 HA VAL 9 40.157 13.695 -0.083 82 HB VAL 9 HB VAL 9 39.250 13.870 2.203 83 HG11 VAL 9 HG11 VAL 9 39.480 11.532 2.811 84 HG12 VAL 9 HG12 VAL 9 41.035 11.411 1.953 85 HG13 VAL 9 HG13 VAL 9 39.526 11.634 1.034 86 HG21 VAL 9 HG21 VAL 9 41.116 14.818 3.407 87 HG22 VAL 9 HG22 VAL 9 42.171 13.453 2.968 88 HG23 VAL 9 HG23 VAL 9 40.825 13.208 4.107 89 H LYS 10 HN LYS 10 42.726 15.373 -0.181 90 HA LYS 10 HA LYS 10 42.035 17.805 1.309 91 HB2 LYS 10 HB2 LYS 10 44.036 17.340 -0.940 92 HB3 LYS 10 HB1 LYS 10 43.950 18.779 0.102 93 HG2 LYS 10 HG2 LYS 10 44.582 17.552 2.049 94 HG3 LYS 10 HG1 LYS 10 44.273 15.985 1.267 95 HD2 LYS 10 HD2 LYS 10 46.689 16.386 1.362 96 HD3 LYS 10 HD1 LYS 10 46.141 16.443 -0.329 97 HE2 LYS 10 HE2 LYS 10 46.264 18.824 -0.403 98 HE3 LYS 10 HE1 LYS 10 46.370 18.957 1.370 99 HZ1 LYS 10 HZ1 LYS 10 48.420 17.731 -0.411 100 HZ2 LYS 10 HZ2 LYS 10 48.521 17.856 1.281 101 HZ3 LYS 10 HZ3 LYS 10 48.529 19.258 0.321 102 H ILE 11 HN ILE 11 41.073 16.340 -1.618 103 HA ILE 11 HA ILE 11 39.780 18.912 -2.519 104 HB ILE 11 HB ILE 11 40.892 16.795 -4.400 105 HG12 ILE 11 HG12 ILE 11 42.138 19.433 -3.495 106 HG13 ILE 11 HG11 ILE 11 42.767 17.803 -3.160 107 HG21 ILE 11 HG21 ILE 11 40.184 19.713 -4.931 108 HG22 ILE 11 HG22 ILE 11 38.999 18.398 -5.102 109 HG23 ILE 11 HG23 ILE 11 40.455 18.418 -6.120 110 HD11 ILE 11 HD1 ILE 11 42.632 19.274 -5.814 111 HD12 ILE 11 HD2 ILE 11 42.796 17.502 -5.751 112 HD13 ILE 11 HD3 ILE 11 44.044 18.539 -5.020 113 H ILE 12 HN ILE 12 39.865 15.358 -2.530 114 HA ILE 12 HA ILE 12 37.194 15.097 -3.682 115 HB ILE 12 HB ILE 12 38.931 13.173 -2.108 116 HG12 ILE 12 HG12 ILE 12 38.513 13.341 -5.131 117 HG13 ILE 12 HG11 ILE 12 39.874 14.116 -4.292 118 HG21 ILE 12 HG21 ILE 12 36.378 12.799 -3.731 119 HG22 ILE 12 HG22 ILE 12 36.701 12.298 -2.054 120 HG23 ILE 12 HG23 ILE 12 37.477 11.443 -3.399 121 HD11 ILE 12 HD1 ILE 12 39.342 11.174 -4.760 122 HD12 ILE 12 HD2 ILE 12 40.230 11.645 -3.292 123 HD13 ILE 12 HD3 ILE 12 40.861 12.084 -4.894 124 H GLY 13 HN GLY 13 38.091 13.454 -0.671 125 HA2 GLY 13 HA1 GLY 13 35.579 14.015 0.596 126 HA3 GLY 13 HA2 GLY 13 37.062 13.457 1.403 127 H GLY 14 HN GLY 14 38.103 15.853 -0.355 128 HA2 GLY 14 HA1 GLY 14 38.152 17.792 1.876 129 HA3 GLY 14 HA2 GLY 14 39.005 17.917 0.321 130 H ALA 15 HN ALA 15 36.916 17.561 -1.496 131 HA ALA 15 HA ALA 15 35.502 20.178 -1.128 132 HB1 ALA 15 HB1 ALA 15 34.811 19.882 -3.450 133 HB2 ALA 15 HB2 ALA 15 35.469 18.230 -3.470 134 HB3 ALA 15 HB3 ALA 15 36.565 19.626 -3.319 135 H ALA 16 HN ALA 16 35.031 17.801 0.521 136 HA ALA 16 HA ALA 16 33.172 16.887 1.544 137 HB1 ALA 16 HB1 ALA 16 31.022 17.727 1.170 138 HB2 ALA 16 HB2 ALA 16 31.303 17.983 -0.568 139 HB3 ALA 16 HB3 ALA 16 32.041 19.079 0.626 140 H LEU 17 HN LEU 17 34.811 15.540 -0.366 141 HA LEU 17 HA LEU 17 34.762 13.534 -1.544 142 HB2 LEU 17 HB2 LEU 17 33.066 13.089 0.464 143 HB3 LEU 17 HB1 LEU 17 31.856 13.086 -0.835 144 HG LEU 17 HG LEU 17 33.594 11.419 -2.023 145 HD11 LEU 17 HD11 LEU 17 34.799 10.007 -0.418 146 HD12 LEU 17 HD12 LEU 17 34.184 10.976 0.941 147 HD13 LEU 17 HD13 LEU 17 35.325 11.694 -0.219 148 HD21 LEU 17 HD21 LEU 17 31.712 10.707 0.269 149 HD22 LEU 17 HD22 LEU 17 32.452 9.491 -0.802 150 HD23 LEU 17 HD23 LEU 17 31.349 10.715 -1.473 151 H ASP 18 HN ASP 18 34.447 15.741 -3.073 152 HA ASP 18 HA ASP 18 33.664 16.465 -5.133 153 HB2 ASP 18 HB2 ASP 18 33.124 13.482 -5.391 154 HB3 ASP 18 HB1 ASP 18 33.007 14.639 -6.741 155 H HIS 19 HN HIS 19 31.339 13.790 -4.956 156 HA HIS 19 HA HIS 19 29.132 15.643 -4.226 157 HB2 HIS 19 HB2 HIS 19 29.142 14.120 -6.864 158 HB3 HIS 19 HB1 HIS 19 27.826 15.134 -6.228 159 HD1 HIS 19 HD1 HIS 19 31.417 15.356 -7.508 160 HD2 HIS 19 HD2 HIS 19 28.179 17.893 -6.627 161 HE1 HIS 19 HE1 HIS 19 32.011 17.684 -8.383 162 H LEU 20 HN LEU 20 29.913 13.794 -2.545 163 HA LEU 20 HA LEU 20 29.279 11.866 -1.422 164 HB2 LEU 20 HB2 LEU 20 26.663 12.015 -2.957 165 HB3 LEU 20 HB1 LEU 20 26.949 11.427 -1.300 166 HG LEU 20 HG LEU 20 27.200 14.307 -2.274 167 HD11 LEU 20 HD11 LEU 20 24.877 13.527 -1.984 168 HD12 LEU 20 HD12 LEU 20 25.310 14.677 -0.697 169 HD13 LEU 20 HD13 LEU 20 25.268 12.931 -0.353 170 HD21 LEU 20 HD21 LEU 20 28.883 14.034 -0.596 171 HD22 LEU 20 HD22 LEU 20 27.851 12.963 0.383 172 HD23 LEU 20 HD23 LEU 20 27.483 14.701 0.274 Start of MODEL 65 1 H1 TRP 1 HT1 TRP 1 38.890 12.945 17.430 2 H2 TRP 1 HT2 TRP 1 38.516 12.017 16.056 3 H3 TRP 1 HT3 TRP 1 37.559 11.896 17.456 4 HA TRP 1 HA TRP 1 36.417 13.729 17.051 5 HB2 TRP 1 HB2 TRP 1 38.609 15.047 17.258 6 HB3 TRP 1 HB1 TRP 1 38.748 14.908 15.490 7 HD1 TRP 1 HD1 TRP 1 35.966 15.950 17.999 8 HE1 TRP 1 HE1 TRP 1 34.723 18.031 17.058 9 HE3 TRP 1 HE3 TRP 1 38.520 16.492 13.596 10 HZ2 TRP 1 HZ2 TRP 1 34.847 19.685 14.704 11 HZ3 TRP 1 HZ3 TRP 1 37.941 18.329 12.017 12 HH2 TRP 1 HH2 TRP 1 36.107 19.924 12.567 13 H LEU 2 HN LEU 2 35.785 15.074 14.889 14 HA LEU 2 HA LEU 2 34.749 14.815 12.841 15 HB2 LEU 2 HB2 LEU 2 37.033 14.964 12.007 16 HB3 LEU 2 HB1 LEU 2 37.296 13.235 12.311 17 HG LEU 2 HG LEU 2 35.663 12.631 10.590 18 HD11 LEU 2 HD11 LEU 2 33.954 14.273 10.705 19 HD12 LEU 2 HD12 LEU 2 34.745 14.614 9.151 20 HD13 LEU 2 HD13 LEU 2 35.110 15.620 10.574 21 HD21 LEU 2 HD21 LEU 2 37.514 14.845 9.603 22 HD22 LEU 2 HD22 LEU 2 36.824 13.535 8.616 23 HD23 LEU 2 HD23 LEU 2 37.997 13.158 9.900 24 H ARG 3 HN ARG 3 36.359 11.689 12.589 25 HA ARG 3 HA ARG 3 34.206 10.069 13.589 26 HB2 ARG 3 HB2 ARG 3 33.085 11.041 11.528 27 HB3 ARG 3 HB1 ARG 3 34.339 10.240 10.551 28 HG2 ARG 3 HG2 ARG 3 33.684 8.048 11.512 29 HG3 ARG 3 HG1 ARG 3 32.418 8.852 12.473 30 HD2 ARG 3 HD2 ARG 3 31.360 7.965 10.484 31 HD3 ARG 3 HD1 ARG 3 31.453 9.732 10.294 32 HE ARG 3 HE ARG 3 33.797 8.666 9.124 33 HH11 ARG 3 HH11 ARG 3 31.729 10.359 7.705 34 HH12 ARG 3 HH12 ARG 3 31.193 9.281 6.460 35 HH21 ARG 3 HH21 ARG 3 32.523 6.456 7.967 36 HH22 ARG 3 HH22 ARG 3 31.641 7.070 6.609 37 H ARG 4 HN ARG 4 37.037 10.684 11.718 38 HA ARG 4 HA ARG 4 38.257 8.179 12.591 39 HB2 ARG 4 HB2 ARG 4 36.845 7.673 10.436 40 HB3 ARG 4 HB1 ARG 4 38.117 8.570 9.578 41 HG2 ARG 4 HG2 ARG 4 39.829 7.034 10.567 42 HG3 ARG 4 HG1 ARG 4 38.521 6.117 11.352 43 HD2 ARG 4 HD2 ARG 4 37.512 5.720 9.081 44 HD3 ARG 4 HD1 ARG 4 38.932 6.510 8.356 45 HE ARG 4 HE ARG 4 39.694 4.354 10.153 46 HH11 ARG 4 HH11 ARG 4 41.409 3.474 8.661 47 HH12 ARG 4 HH12 ARG 4 40.798 2.799 7.187 48 HH21 ARG 4 HH21 ARG 4 37.650 4.210 7.535 49 HH22 ARG 4 HH22 ARG 4 38.671 3.216 6.549 50 H ILE 5 HN ILE 5 38.274 11.355 12.055 51 HA ILE 5 HA ILE 5 39.875 12.955 11.445 52 HB ILE 5 HB ILE 5 41.960 12.752 12.830 53 HG12 ILE 5 HG12 ILE 5 40.740 10.106 13.753 54 HG13 ILE 5 HG11 ILE 5 42.103 10.219 12.617 55 HG21 ILE 5 HG21 ILE 5 39.724 13.602 13.699 56 HG22 ILE 5 HG22 ILE 5 40.817 12.970 14.949 57 HG23 ILE 5 HG23 ILE 5 39.450 11.982 14.380 58 HD11 ILE 5 HD1 ILE 5 43.254 11.667 14.451 59 HD12 ILE 5 HD2 ILE 5 43.131 9.916 14.735 60 HD13 ILE 5 HD3 ILE 5 42.002 11.026 15.542 61 H GLY 6 HN GLY 6 39.691 11.032 9.387 62 HA2 GLY 6 HA1 GLY 6 42.219 11.536 8.073 63 HA3 GLY 6 HA2 GLY 6 42.069 9.834 8.549 64 H LYS 7 HN LYS 7 38.972 10.653 8.176 65 HA LYS 7 HA LYS 7 38.816 9.406 5.531 66 HB2 LYS 7 HB2 LYS 7 37.168 9.070 7.443 67 HB3 LYS 7 HB1 LYS 7 36.571 10.713 7.112 68 HG2 LYS 7 HG2 LYS 7 36.172 10.011 4.716 69 HG3 LYS 7 HG1 LYS 7 36.593 8.348 5.189 70 HD2 LYS 7 HD2 LYS 7 34.752 8.277 6.785 71 HD3 LYS 7 HD1 LYS 7 34.386 9.995 6.497 72 HE2 LYS 7 HE2 LYS 7 32.815 8.668 5.204 73 HE3 LYS 7 HE1 LYS 7 33.962 9.421 4.071 74 HZ1 LYS 7 HZ1 LYS 7 33.399 6.850 4.006 75 HZ2 LYS 7 HZ2 LYS 7 34.658 6.788 5.146 76 HZ3 LYS 7 HZ3 LYS 7 34.936 7.443 3.603 77 H GLY 8 HN GLY 8 40.156 11.137 4.488 78 HA2 GLY 8 HA1 GLY 8 38.655 12.711 2.763 79 HA3 GLY 8 HA2 GLY 8 38.963 13.770 4.152 80 H VAL 9 HN VAL 9 40.011 13.042 1.149 81 HA VAL 9 HA VAL 9 42.888 12.956 1.591 82 HB VAL 9 HB VAL 9 41.283 13.666 -0.909 83 HG11 VAL 9 HG11 VAL 9 44.241 13.121 -0.422 84 HG12 VAL 9 HG12 VAL 9 43.507 14.564 -1.160 85 HG13 VAL 9 HG13 VAL 9 43.491 13.012 -2.031 86 HG21 VAL 9 HG21 VAL 9 41.775 11.345 -1.567 87 HG22 VAL 9 HG22 VAL 9 40.914 11.363 -0.009 88 HG23 VAL 9 HG23 VAL 9 42.672 11.087 -0.052 89 H LYS 10 HN LYS 10 41.410 15.414 -0.505 90 HA LYS 10 HA LYS 10 41.938 17.639 1.257 91 HB2 LYS 10 HB2 LYS 10 44.298 16.856 0.677 92 HB3 LYS 10 HB1 LYS 10 43.949 17.324 -1.001 93 HG2 LYS 10 HG2 LYS 10 43.418 19.634 -0.226 94 HG3 LYS 10 HG1 LYS 10 43.833 19.155 1.437 95 HD2 LYS 10 HD2 LYS 10 46.129 18.671 0.783 96 HD3 LYS 10 HD1 LYS 10 45.741 18.951 -0.932 97 HE2 LYS 10 HE2 LYS 10 45.454 21.061 1.250 98 HE3 LYS 10 HE1 LYS 10 46.872 20.914 0.184 99 HZ1 LYS 10 HZ1 LYS 10 44.239 21.956 -0.380 100 HZ2 LYS 10 HZ2 LYS 10 44.803 20.867 -1.557 101 HZ3 LYS 10 HZ3 LYS 10 45.714 22.246 -1.166 102 H ILE 11 HN ILE 11 41.256 16.240 -1.866 103 HA ILE 11 HA ILE 11 40.040 18.859 -2.767 104 HB ILE 11 HB ILE 11 40.960 16.602 -4.585 105 HG12 ILE 11 HG12 ILE 11 42.488 19.078 -3.657 106 HG13 ILE 11 HG11 ILE 11 42.921 17.383 -3.333 107 HG21 ILE 11 HG21 ILE 11 39.280 18.413 -5.334 108 HG22 ILE 11 HG22 ILE 11 40.741 18.231 -6.330 109 HG23 ILE 11 HG23 ILE 11 40.618 19.573 -5.167 110 HD11 ILE 11 HD1 ILE 11 44.297 17.988 -5.170 111 HD12 ILE 11 HD2 ILE 11 42.985 18.881 -5.974 112 HD13 ILE 11 HD3 ILE 11 42.950 17.100 -5.922 113 H ILE 12 HN ILE 12 39.798 15.284 -2.981 114 HA ILE 12 HA ILE 12 36.957 15.525 -3.826 115 HB ILE 12 HB ILE 12 38.732 13.106 -3.331 116 HG12 ILE 12 HG12 ILE 12 37.855 14.068 -6.087 117 HG13 ILE 12 HG11 ILE 12 39.248 14.838 -5.297 118 HG21 ILE 12 HG21 ILE 12 36.571 12.190 -3.216 119 HG22 ILE 12 HG22 ILE 12 36.831 12.112 -4.967 120 HG23 ILE 12 HG23 ILE 12 35.867 13.433 -4.276 121 HD11 ILE 12 HD1 ILE 12 38.945 11.865 -5.921 122 HD12 ILE 12 HD2 ILE 12 40.299 12.579 -5.017 123 HD13 ILE 12 HD3 ILE 12 40.037 13.017 -6.721 124 H GLY 13 HN GLY 13 37.961 12.813 -1.837 125 HA2 GLY 13 HA1 GLY 13 35.813 13.082 0.000 126 HA3 GLY 13 HA2 GLY 13 37.318 12.182 0.301 127 H GLY 14 HN GLY 14 38.455 14.934 -0.591 128 HA2 GLY 14 HA1 GLY 14 38.937 15.945 2.136 129 HA3 GLY 14 HA2 GLY 14 39.670 16.527 0.625 130 H ALA 15 HN ALA 15 37.523 17.126 -0.990 131 HA ALA 15 HA ALA 15 36.419 19.491 0.491 132 HB1 ALA 15 HB1 ALA 15 37.341 19.601 -1.898 133 HB2 ALA 15 HB2 ALA 15 35.729 20.304 -1.635 134 HB3 ALA 15 HB3 ALA 15 35.884 18.703 -2.393 135 H ALA 16 HN ALA 16 35.756 16.722 1.152 136 HA ALA 16 HA ALA 16 33.859 15.632 1.891 137 HB1 ALA 16 HB1 ALA 16 32.038 17.663 0.582 138 HB2 ALA 16 HB2 ALA 16 32.961 18.097 2.039 139 HB3 ALA 16 HB3 ALA 16 31.808 16.743 2.087 140 H LEU 17 HN LEU 17 35.163 14.759 -0.330 141 HA LEU 17 HA LEU 17 34.828 13.351 -2.143 142 HB2 LEU 17 HB2 LEU 17 31.844 13.458 -1.558 143 HB3 LEU 17 HB1 LEU 17 32.716 12.224 -2.482 144 HG LEU 17 HG LEU 17 33.500 12.746 0.412 145 HD11 LEU 17 HD11 LEU 17 31.885 11.000 1.115 146 HD12 LEU 17 HD12 LEU 17 31.217 10.959 -0.534 147 HD13 LEU 17 HD13 LEU 17 31.054 12.428 0.457 148 HD21 LEU 17 HD21 LEU 17 33.421 10.194 -1.259 149 HD22 LEU 17 HD22 LEU 17 34.214 10.423 0.317 150 HD23 LEU 17 HD23 LEU 17 34.851 11.241 -1.126 151 H ASP 18 HN ASP 18 33.741 16.455 -1.936 152 HA ASP 18 HA ASP 18 33.124 18.042 -3.504 153 HB2 ASP 18 HB2 ASP 18 35.257 17.378 -4.512 154 HB3 ASP 18 HB1 ASP 18 34.454 16.052 -5.385 155 H HIS 19 HN HIS 19 32.832 15.337 -5.793 156 HA HIS 19 HA HIS 19 30.420 16.112 -6.939 157 HB2 HIS 19 HB2 HIS 19 31.888 14.252 -7.727 158 HB3 HIS 19 HB1 HIS 19 31.270 13.241 -6.399 159 HD1 HIS 19 HD1 HIS 19 28.837 15.607 -7.955 160 HD2 HIS 19 HD2 HIS 19 30.032 11.613 -8.500 161 HE1 HIS 19 HE1 HIS 19 27.050 14.464 -9.378 162 H LEU 20 HN LEU 20 30.916 14.240 -3.955 163 HA LEU 20 HA LEU 20 29.415 13.575 -2.322 164 HB2 LEU 20 HB2 LEU 20 29.129 16.196 -2.502 165 HB3 LEU 20 HB1 LEU 20 27.540 15.799 -3.189 166 HG LEU 20 HG LEU 20 28.612 14.901 -0.472 167 HD11 LEU 20 HD11 LEU 20 27.944 17.304 -0.642 168 HD12 LEU 20 HD12 LEU 20 26.867 16.377 0.429 169 HD13 LEU 20 HD13 LEU 20 26.340 16.796 -1.220 170 HD21 LEU 20 HD21 LEU 20 27.194 13.136 -1.201 171 HD22 LEU 20 HD22 LEU 20 26.070 14.250 -2.018 172 HD23 LEU 20 HD23 LEU 20 26.116 14.171 -0.241 Start of MODEL 66 1 H1 TRP 1 HT1 TRP 1 44.071 8.326 11.930 2 H2 TRP 1 HT2 TRP 1 45.701 8.808 11.909 3 H3 TRP 1 HT3 TRP 1 45.086 7.929 13.228 4 HA TRP 1 HA TRP 1 45.768 7.036 10.533 5 HB2 TRP 1 HB2 TRP 1 46.109 5.737 13.261 6 HB3 TRP 1 HB1 TRP 1 46.888 5.265 11.733 7 HD1 TRP 1 HD1 TRP 1 46.745 8.285 14.152 8 HE1 TRP 1 HE1 TRP 1 49.016 9.549 14.065 9 HE3 TRP 1 HE3 TRP 1 49.041 5.569 10.468 10 HZ2 TRP 1 HZ2 TRP 1 51.478 9.378 12.582 11 HZ3 TRP 1 HZ3 TRP 1 51.351 6.137 9.733 12 HH2 TRP 1 HH2 TRP 1 52.571 8.038 10.786 13 H LEU 2 HN LEU 2 43.476 7.020 9.884 14 HA LEU 2 HA LEU 2 41.655 5.166 11.223 15 HB2 LEU 2 HB2 LEU 2 41.485 6.352 8.424 16 HB3 LEU 2 HB1 LEU 2 40.150 5.667 9.379 17 HG LEU 2 HG LEU 2 41.806 8.097 10.206 18 HD11 LEU 2 HD11 LEU 2 40.459 8.531 8.172 19 HD12 LEU 2 HD12 LEU 2 39.805 9.408 9.576 20 HD13 LEU 2 HD13 LEU 2 39.008 7.924 9.004 21 HD21 LEU 2 HD21 LEU 2 39.387 6.663 11.376 22 HD22 LEU 2 HD22 LEU 2 39.697 8.381 11.727 23 HD23 LEU 2 HD23 LEU 2 40.892 7.151 12.190 24 H ARG 3 HN ARG 3 42.633 5.135 7.789 25 HA ARG 3 HA ARG 3 43.455 2.271 8.025 26 HB2 ARG 3 HB2 ARG 3 41.418 3.256 5.983 27 HB3 ARG 3 HB1 ARG 3 42.031 1.596 6.173 28 HG2 ARG 3 HG2 ARG 3 41.104 1.646 8.550 29 HG3 ARG 3 HG1 ARG 3 40.295 3.172 8.117 30 HD2 ARG 3 HD2 ARG 3 39.286 1.910 6.119 31 HD3 ARG 3 HD1 ARG 3 39.873 0.418 6.892 32 HE ARG 3 HE ARG 3 38.412 1.841 8.856 33 HH11 ARG 3 HH11 ARG 3 37.201 1.918 5.829 34 HH12 ARG 3 HH12 ARG 3 35.876 0.834 6.090 35 HH21 ARG 3 HH21 ARG 3 37.012 -0.237 9.186 36 HH22 ARG 3 HH22 ARG 3 35.769 -0.385 7.990 37 H ARG 4 HN ARG 4 43.520 5.413 6.645 38 HA ARG 4 HA ARG 4 45.961 4.720 5.106 39 HB2 ARG 4 HB2 ARG 4 43.490 5.976 3.837 40 HB3 ARG 4 HB1 ARG 4 45.101 5.917 3.082 41 HG2 ARG 4 HG2 ARG 4 45.020 3.377 3.396 42 HG3 ARG 4 HG1 ARG 4 43.305 3.573 3.827 43 HD2 ARG 4 HD2 ARG 4 42.987 4.801 1.626 44 HD3 ARG 4 HD1 ARG 4 44.645 4.318 1.195 45 HE ARG 4 HE ARG 4 43.159 1.996 2.001 46 HH11 ARG 4 HH11 ARG 4 41.238 3.525 0.180 47 HH12 ARG 4 HH12 ARG 4 41.624 2.835 -1.360 48 HH21 ARG 4 HH21 ARG 4 44.615 1.448 -0.286 49 HH22 ARG 4 HH22 ARG 4 43.536 1.659 -1.625 50 H ILE 5 HN ILE 5 44.629 6.411 7.421 51 HA ILE 5 HA ILE 5 45.212 8.374 8.482 52 HB ILE 5 HB ILE 5 47.189 8.991 6.243 53 HG12 ILE 5 HG12 ILE 5 47.516 7.241 8.730 54 HG13 ILE 5 HG11 ILE 5 47.644 6.705 7.041 55 HG21 ILE 5 HG21 ILE 5 48.289 10.332 7.903 56 HG22 ILE 5 HG22 ILE 5 47.298 9.649 9.214 57 HG23 ILE 5 HG23 ILE 5 46.564 10.739 8.017 58 HD11 ILE 5 HD1 ILE 5 49.533 8.503 6.836 59 HD12 ILE 5 HD2 ILE 5 49.899 6.987 7.694 60 HD13 ILE 5 HD3 ILE 5 49.544 8.467 8.615 61 H GLY 6 HN GLY 6 44.557 8.473 5.011 62 HA2 GLY 6 HA1 GLY 6 42.649 10.625 5.430 63 HA3 GLY 6 HA2 GLY 6 44.096 11.165 4.553 64 H LYS 7 HN LYS 7 41.191 9.214 4.476 65 HA LYS 7 HA LYS 7 41.515 7.720 2.138 66 HB2 LYS 7 HB2 LYS 7 39.067 9.278 3.058 67 HB3 LYS 7 HB1 LYS 7 39.053 8.003 1.815 68 HG2 LYS 7 HG2 LYS 7 40.122 6.465 3.575 69 HG3 LYS 7 HG1 LYS 7 39.739 7.728 4.770 70 HD2 LYS 7 HD2 LYS 7 37.720 6.351 2.940 71 HD3 LYS 7 HD1 LYS 7 37.957 5.995 4.666 72 HE2 LYS 7 HE2 LYS 7 37.511 8.538 5.043 73 HE3 LYS 7 HE1 LYS 7 36.856 8.519 3.387 74 HZ1 LYS 7 HZ1 LYS 7 34.989 7.698 4.209 75 HZ2 LYS 7 HZ2 LYS 7 35.647 7.631 5.775 76 HZ3 LYS 7 HZ3 LYS 7 35.813 6.307 4.722 77 H GLY 8 HN GLY 8 40.970 8.053 -0.074 78 HA2 GLY 8 HA1 GLY 8 41.041 9.239 -2.057 79 HA3 GLY 8 HA2 GLY 8 40.311 10.593 -1.175 80 H VAL 9 HN VAL 9 41.517 12.351 -0.662 81 HA VAL 9 HA VAL 9 44.488 12.154 -0.805 82 HB VAL 9 HB VAL 9 42.925 14.163 -2.492 83 HG11 VAL 9 HG11 VAL 9 45.250 14.611 -3.396 84 HG12 VAL 9 HG12 VAL 9 45.892 13.570 -2.103 85 HG13 VAL 9 HG13 VAL 9 45.033 15.073 -1.693 86 HG21 VAL 9 HG21 VAL 9 42.746 11.970 -3.525 87 HG22 VAL 9 HG22 VAL 9 44.470 11.638 -3.233 88 HG23 VAL 9 HG23 VAL 9 43.990 12.884 -4.409 89 H LYS 10 HN LYS 10 42.150 14.866 -0.981 90 HA LYS 10 HA LYS 10 42.346 15.510 1.827 91 HB2 LYS 10 HB2 LYS 10 44.691 16.088 0.995 92 HB3 LYS 10 HB1 LYS 10 43.932 17.354 -0.000 93 HG2 LYS 10 HG2 LYS 10 42.848 18.228 2.142 94 HG3 LYS 10 HG1 LYS 10 43.900 17.104 3.036 95 HD2 LYS 10 HD2 LYS 10 45.879 18.165 1.830 96 HD3 LYS 10 HD1 LYS 10 44.751 19.403 1.229 97 HE2 LYS 10 HE2 LYS 10 44.128 19.950 3.580 98 HE3 LYS 10 HE1 LYS 10 45.315 18.755 4.155 99 HZ1 LYS 10 HZ1 LYS 10 46.951 20.077 2.707 100 HZ2 LYS 10 HZ2 LYS 10 46.475 20.746 4.194 101 HZ3 LYS 10 HZ3 LYS 10 45.790 21.312 2.746 102 H ILE 11 HN ILE 11 42.283 17.248 -1.327 103 HA ILE 11 HA ILE 11 40.073 18.935 -0.396 104 HB ILE 11 HB ILE 11 40.024 19.746 -2.757 105 HG12 ILE 11 HG12 ILE 11 42.352 17.787 -3.068 106 HG13 ILE 11 HG11 ILE 11 40.761 17.645 -3.852 107 HG21 ILE 11 HG21 ILE 11 41.567 20.662 -0.919 108 HG22 ILE 11 HG22 ILE 11 42.082 20.987 -2.588 109 HG23 ILE 11 HG23 ILE 11 42.866 19.691 -1.652 110 HD11 ILE 11 HD1 ILE 11 42.948 19.690 -4.357 111 HD12 ILE 11 HD2 ILE 11 41.259 20.019 -4.822 112 HD13 ILE 11 HD3 ILE 11 42.124 18.630 -5.522 113 H ILE 12 HN ILE 12 40.040 15.819 -0.929 114 HA ILE 12 HA ILE 12 37.905 15.530 -2.894 115 HB ILE 12 HB ILE 12 38.888 13.750 -0.653 116 HG12 ILE 12 HG12 ILE 12 40.548 14.459 -2.539 117 HG13 ILE 12 HG11 ILE 12 40.415 12.735 -2.159 118 HG21 ILE 12 HG21 ILE 12 36.718 12.952 -1.301 119 HG22 ILE 12 HG22 ILE 12 37.882 11.889 -2.119 120 HG23 ILE 12 HG23 ILE 12 37.067 13.184 -3.029 121 HD11 ILE 12 HD1 ILE 12 38.809 14.040 -4.398 122 HD12 ILE 12 HD2 ILE 12 39.070 12.308 -4.107 123 HD13 ILE 12 HD3 ILE 12 40.418 13.332 -4.647 124 H GLY 13 HN GLY 13 37.683 14.222 0.395 125 HA2 GLY 13 HA1 GLY 13 34.914 14.953 0.670 126 HA3 GLY 13 HA2 GLY 13 36.006 14.428 1.973 127 H GLY 14 HN GLY 14 37.689 16.649 0.405 128 HA2 GLY 14 HA1 GLY 14 37.069 18.777 2.392 129 HA3 GLY 14 HA2 GLY 14 38.434 18.727 1.260 130 H ALA 15 HN ALA 15 37.013 18.191 -1.147 131 HA ALA 15 HA ALA 15 35.796 20.905 -1.553 132 HB1 ALA 15 HB1 ALA 15 37.489 20.066 -3.178 133 HB2 ALA 15 HB2 ALA 15 35.905 20.364 -3.931 134 HB3 ALA 15 HB3 ALA 15 36.412 18.700 -3.560 135 H ALA 16 HN ALA 16 34.631 18.698 0.029 136 HA ALA 16 HA ALA 16 32.450 18.043 0.445 137 HB1 ALA 16 HB1 ALA 16 30.633 18.891 -0.751 138 HB2 ALA 16 HB2 ALA 16 31.500 18.867 -2.305 139 HB3 ALA 16 HB3 ALA 16 31.881 20.111 -1.092 140 H LEU 17 HN LEU 17 34.556 16.397 -0.625 141 HA LEU 17 HA LEU 17 34.769 14.268 -1.552 142 HB2 LEU 17 HB2 LEU 17 32.628 14.067 -0.022 143 HB3 LEU 17 HB1 LEU 17 31.753 13.983 -1.565 144 HG LEU 17 HG LEU 17 33.615 12.135 -2.152 145 HD11 LEU 17 HD11 LEU 17 34.401 10.881 -0.243 146 HD12 LEU 17 HD12 LEU 17 33.415 11.849 0.878 147 HD13 LEU 17 HD13 LEU 17 34.814 12.583 0.066 148 HD21 LEU 17 HD21 LEU 17 32.093 10.388 -1.124 149 HD22 LEU 17 HD22 LEU 17 31.243 11.615 -2.093 150 HD23 LEU 17 HD23 LEU 17 31.215 11.708 -0.315 151 H ASP 18 HN ASP 18 33.999 16.754 -3.230 152 HA ASP 18 HA ASP 18 33.686 17.202 -5.483 153 HB2 ASP 18 HB2 ASP 18 35.592 15.526 -5.586 154 HB3 ASP 18 HB1 ASP 18 34.374 14.275 -5.934 155 H HIS 19 HN HIS 19 31.625 15.433 -3.739 156 HA HIS 19 HA HIS 19 29.494 15.670 -5.681 157 HB2 HIS 19 HB2 HIS 19 30.559 13.649 -6.619 158 HB3 HIS 19 HB1 HIS 19 30.446 12.850 -5.033 159 HD1 HIS 19 HD1 HIS 19 28.264 11.730 -4.426 160 HD2 HIS 19 HD2 HIS 19 27.911 14.255 -7.772 161 HE1 HIS 19 HE1 HIS 19 25.931 11.373 -5.404 162 H LEU 20 HN LEU 20 30.421 13.485 -2.975 163 HA LEU 20 HA LEU 20 29.322 13.035 -0.987 164 HB2 LEU 20 HB2 LEU 20 30.026 15.259 -0.380 165 HB3 LEU 20 HB1 LEU 20 28.714 15.998 -1.322 166 HG LEU 20 HG LEU 20 27.035 15.173 0.220 167 HD11 LEU 20 HD11 LEU 20 27.775 12.976 0.787 168 HD12 LEU 20 HD12 LEU 20 27.870 13.884 2.313 169 HD13 LEU 20 HD13 LEU 20 29.349 13.564 1.372 170 HD21 LEU 20 HD21 LEU 20 29.426 16.172 1.833 171 HD22 LEU 20 HD22 LEU 20 27.707 16.320 2.273 172 HD23 LEU 20 HD23 LEU 20 28.346 17.213 0.873 Start of MODEL 67 1 H1 TRP 1 HT1 TRP 1 41.812 25.229 9.935 2 H2 TRP 1 HT2 TRP 1 42.118 24.081 8.721 3 H3 TRP 1 HT3 TRP 1 43.397 24.699 9.652 4 HA TRP 1 HA TRP 1 42.714 22.443 10.271 5 HB2 TRP 1 HB2 TRP 1 42.246 24.553 12.412 6 HB3 TRP 1 HB1 TRP 1 42.800 22.879 12.655 7 HD1 TRP 1 HD1 TRP 1 45.316 22.428 12.473 8 HE1 TRP 1 HE1 TRP 1 47.423 23.826 11.869 9 HE3 TRP 1 HE3 TRP 1 43.010 26.673 10.779 10 HZ2 TRP 1 HZ2 TRP 1 47.996 26.437 10.796 11 HZ3 TRP 1 HZ3 TRP 1 44.356 28.605 9.971 12 HH2 TRP 1 HH2 TRP 1 46.845 28.491 9.977 13 H LEU 2 HN LEU 2 40.966 21.243 9.883 14 HA LEU 2 HA LEU 2 38.275 22.273 10.087 15 HB2 LEU 2 HB2 LEU 2 39.482 19.506 9.768 16 HB3 LEU 2 HB1 LEU 2 37.727 19.721 9.965 17 HG LEU 2 HG LEU 2 37.622 21.144 7.987 18 HD11 LEU 2 HD11 LEU 2 39.669 22.378 8.056 19 HD12 LEU 2 HD12 LEU 2 39.787 21.374 6.593 20 HD13 LEU 2 HD13 LEU 2 40.656 20.897 8.072 21 HD21 LEU 2 HD21 LEU 2 37.555 18.688 7.650 22 HD22 LEU 2 HD22 LEU 2 39.327 18.662 7.479 23 HD23 LEU 2 HD23 LEU 2 38.327 19.501 6.268 24 H ARG 3 HN ARG 3 39.236 19.306 11.758 25 HA ARG 3 HA ARG 3 38.370 20.502 14.382 26 HB2 ARG 3 HB2 ARG 3 37.501 17.808 13.246 27 HB3 ARG 3 HB1 ARG 3 37.128 18.426 14.875 28 HG2 ARG 3 HG2 ARG 3 35.940 20.358 13.864 29 HG3 ARG 3 HG1 ARG 3 36.295 19.721 12.241 30 HD2 ARG 3 HD2 ARG 3 34.013 19.081 12.954 31 HD3 ARG 3 HD1 ARG 3 35.050 17.645 12.784 32 HE ARG 3 HE ARG 3 35.167 18.580 15.495 33 HH11 ARG 3 HH11 ARG 3 32.971 18.483 16.609 34 HH12 ARG 3 HH12 ARG 3 32.101 17.017 16.306 35 HH21 ARG 3 HH21 ARG 3 34.092 16.076 13.627 36 HH22 ARG 3 HH22 ARG 3 32.736 15.653 14.619 37 H ARG 4 HN ARG 4 40.475 18.617 12.465 38 HA ARG 4 HA ARG 4 42.345 18.287 14.637 39 HB2 ARG 4 HB2 ARG 4 40.534 16.427 14.999 40 HB3 ARG 4 HB1 ARG 4 41.276 15.641 13.589 41 HG2 ARG 4 HG2 ARG 4 43.457 15.594 14.717 42 HG3 ARG 4 HG1 ARG 4 42.793 16.497 16.098 43 HD2 ARG 4 HD2 ARG 4 41.862 13.746 15.167 44 HD3 ARG 4 HD1 ARG 4 42.891 14.069 16.584 45 HE ARG 4 HE ARG 4 40.421 15.582 16.713 46 HH11 ARG 4 HH11 ARG 4 39.931 12.541 16.105 47 HH12 ARG 4 HH12 ARG 4 39.613 11.977 17.711 48 HH21 ARG 4 HH21 ARG 4 40.834 14.837 19.244 49 HH22 ARG 4 HH22 ARG 4 40.123 13.276 19.487 50 H ILE 5 HN ILE 5 41.680 18.963 11.653 51 HA ILE 5 HA ILE 5 42.637 18.606 9.545 52 HB ILE 5 HB ILE 5 44.038 20.350 10.312 53 HG12 ILE 5 HG12 ILE 5 46.161 18.273 9.631 54 HG13 ILE 5 HG11 ILE 5 44.966 18.763 8.413 55 HG21 ILE 5 HG21 ILE 5 45.997 19.947 11.834 56 HG22 ILE 5 HG22 ILE 5 45.463 18.265 12.020 57 HG23 ILE 5 HG23 ILE 5 44.431 19.596 12.587 58 HD11 ILE 5 HD1 ILE 5 45.656 21.190 8.880 59 HD12 ILE 5 HD2 ILE 5 46.879 20.174 8.087 60 HD13 ILE 5 HD3 ILE 5 47.013 20.528 9.823 61 H GLY 6 HN GLY 6 42.272 16.583 8.806 62 HA2 GLY 6 HA1 GLY 6 44.411 14.899 8.219 63 HA3 GLY 6 HA2 GLY 6 43.765 14.286 9.755 64 H LYS 7 HN LYS 7 41.018 15.219 9.054 65 HA LYS 7 HA LYS 7 40.176 12.769 7.738 66 HB2 LYS 7 HB2 LYS 7 38.589 15.288 8.377 67 HB3 LYS 7 HB1 LYS 7 37.915 13.689 7.978 68 HG2 LYS 7 HG2 LYS 7 39.172 12.754 9.969 69 HG3 LYS 7 HG1 LYS 7 39.596 14.425 10.410 70 HD2 LYS 7 HD2 LYS 7 37.203 15.014 10.551 71 HD3 LYS 7 HD1 LYS 7 36.759 13.357 10.073 72 HE2 LYS 7 HE2 LYS 7 36.639 13.664 12.540 73 HE3 LYS 7 HE1 LYS 7 37.868 12.458 12.084 74 HZ1 LYS 7 HZ1 LYS 7 38.388 14.426 13.746 75 HZ2 LYS 7 HZ2 LYS 7 38.716 15.256 12.300 76 HZ3 LYS 7 HZ3 LYS 7 39.561 13.829 12.676 77 H GLY 8 HN GLY 8 38.811 12.677 5.811 78 HA2 GLY 8 HA1 GLY 8 38.433 13.117 3.573 79 HA3 GLY 8 HA2 GLY 8 38.649 14.838 3.950 80 H VAL 9 HN VAL 9 39.477 13.375 1.565 81 HA VAL 9 HA VAL 9 42.292 12.827 1.648 82 HB VAL 9 HB VAL 9 40.571 13.753 -0.697 83 HG11 VAL 9 HG11 VAL 9 43.358 12.538 -0.505 84 HG12 VAL 9 HG12 VAL 9 42.892 14.078 -1.264 85 HG13 VAL 9 HG13 VAL 9 42.402 12.536 -2.005 86 HG21 VAL 9 HG21 VAL 9 40.356 11.380 -1.201 87 HG22 VAL 9 HG22 VAL 9 39.842 11.641 0.484 88 HG23 VAL 9 HG23 VAL 9 41.447 10.955 0.139 89 H LYS 10 HN LYS 10 41.022 15.467 -0.377 90 HA LYS 10 HA LYS 10 42.315 17.590 1.089 91 HB2 LYS 10 HB2 LYS 10 44.342 16.359 0.233 92 HB3 LYS 10 HB1 LYS 10 43.779 16.689 -1.423 93 HG2 LYS 10 HG2 LYS 10 43.855 19.107 -1.001 94 HG3 LYS 10 HG1 LYS 10 44.328 18.818 0.692 95 HD2 LYS 10 HD2 LYS 10 46.405 17.720 -0.054 96 HD3 LYS 10 HD1 LYS 10 45.930 17.947 -1.755 97 HE2 LYS 10 HE2 LYS 10 45.912 20.409 -1.414 98 HE3 LYS 10 HE1 LYS 10 46.417 20.172 0.276 99 HZ1 LYS 10 HZ1 LYS 10 48.015 18.898 -1.826 100 HZ2 LYS 10 HZ2 LYS 10 48.503 19.556 -0.337 101 HZ3 LYS 10 HZ3 LYS 10 48.152 20.580 -1.647 102 H ILE 11 HN ILE 11 40.879 16.232 -1.790 103 HA ILE 11 HA ILE 11 39.713 18.923 -2.436 104 HB ILE 11 HB ILE 11 40.753 17.027 -4.582 105 HG12 ILE 11 HG12 ILE 11 42.067 19.495 -3.353 106 HG13 ILE 11 HG11 ILE 11 42.680 17.827 -3.295 107 HG21 ILE 11 HG21 ILE 11 38.878 18.735 -5.043 108 HG22 ILE 11 HG22 ILE 11 40.316 18.852 -6.082 109 HG23 ILE 11 HG23 ILE 11 40.092 19.999 -4.739 110 HD11 ILE 11 HD1 ILE 11 42.626 17.930 -5.901 111 HD12 ILE 11 HD2 ILE 11 43.912 18.828 -5.060 112 HD13 ILE 11 HD3 ILE 11 42.488 19.691 -5.684 113 H ILE 12 HN ILE 12 39.732 15.397 -3.017 114 HA ILE 12 HA ILE 12 36.911 15.448 -3.892 115 HB ILE 12 HB ILE 12 38.819 13.164 -3.269 116 HG12 ILE 12 HG12 ILE 12 37.965 13.955 -6.082 117 HG13 ILE 12 HG11 ILE 12 39.255 14.877 -5.280 118 HG21 ILE 12 HG21 ILE 12 36.686 12.157 -3.159 119 HG22 ILE 12 HG22 ILE 12 37.065 11.956 -4.880 120 HG23 ILE 12 HG23 ILE 12 35.982 13.265 -4.359 121 HD11 ILE 12 HD1 ILE 12 40.663 12.970 -5.088 122 HD12 ILE 12 HD2 ILE 12 39.980 12.865 -6.727 123 HD13 ILE 12 HD3 ILE 12 39.333 11.840 -5.428 124 H GLY 13 HN GLY 13 38.128 12.925 -1.740 125 HA2 GLY 13 HA1 GLY 13 35.880 13.079 0.018 126 HA3 GLY 13 HA2 GLY 13 37.434 12.295 0.382 127 H GLY 14 HN GLY 14 38.332 15.116 -0.645 128 HA2 GLY 14 HA1 GLY 14 38.757 16.259 2.044 129 HA3 GLY 14 HA2 GLY 14 39.429 16.845 0.506 130 H ALA 15 HN ALA 15 37.180 17.179 -1.088 131 HA ALA 15 HA ALA 15 35.916 19.511 0.324 132 HB1 ALA 15 HB1 ALA 15 35.477 18.575 -2.536 133 HB2 ALA 15 HB2 ALA 15 36.796 19.675 -2.055 134 HB3 ALA 15 HB3 ALA 15 35.101 20.164 -1.832 135 H ALA 16 HN ALA 16 35.491 16.723 1.075 136 HA ALA 16 HA ALA 16 33.696 15.511 1.874 137 HB1 ALA 16 HB1 ALA 16 32.588 17.894 1.921 138 HB2 ALA 16 HB2 ALA 16 31.557 16.448 2.034 139 HB3 ALA 16 HB3 ALA 16 31.702 17.319 0.490 140 H LEU 17 HN LEU 17 35.069 14.675 -0.340 141 HA LEU 17 HA LEU 17 34.840 13.182 -2.108 142 HB2 LEU 17 HB2 LEU 17 31.879 12.988 -1.438 143 HB3 LEU 17 HB1 LEU 17 32.866 11.811 -2.322 144 HG LEU 17 HG LEU 17 33.631 12.560 0.526 145 HD11 LEU 17 HD11 LEU 17 31.256 11.986 0.681 146 HD12 LEU 17 HD12 LEU 17 32.238 10.647 1.322 147 HD13 LEU 17 HD13 LEU 17 31.519 10.526 -0.301 148 HD21 LEU 17 HD21 LEU 17 35.087 11.120 -1.026 149 HD22 LEU 17 HD22 LEU 17 33.796 9.901 -0.959 150 HD23 LEU 17 HD23 LEU 17 34.651 10.374 0.528 151 H ASP 18 HN ASP 18 34.052 16.165 -2.207 152 HA ASP 18 HA ASP 18 33.407 17.651 -3.858 153 HB2 ASP 18 HB2 ASP 18 34.977 16.169 -5.194 154 HB3 ASP 18 HB1 ASP 18 33.542 15.293 -5.775 155 H HIS 19 HN HIS 19 31.900 14.722 -5.279 156 HA HIS 19 HA HIS 19 29.216 15.604 -4.410 157 HB2 HIS 19 HB2 HIS 19 28.349 15.738 -6.735 158 HB3 HIS 19 HB1 HIS 19 29.553 17.005 -6.397 159 HD1 HIS 19 HD1 HIS 19 31.936 14.685 -6.573 160 HD2 HIS 19 HD2 HIS 19 29.140 15.786 -9.516 161 HE1 HIS 19 HE1 HIS 19 32.925 14.042 -8.841 162 H LEU 20 HN LEU 20 30.413 13.360 -3.594 163 HA LEU 20 HA LEU 20 30.271 11.047 -3.593 164 HB2 LEU 20 HB2 LEU 20 27.935 11.472 -3.170 165 HB3 LEU 20 HB1 LEU 20 27.623 11.811 -4.886 166 HG LEU 20 HG LEU 20 27.981 9.491 -5.491 167 HD11 LEU 20 HD11 LEU 20 28.461 7.817 -3.565 168 HD12 LEU 20 HD12 LEU 20 28.991 9.237 -2.630 169 HD13 LEU 20 HD13 LEU 20 29.824 8.802 -4.142 170 HD21 LEU 20 HD21 LEU 20 26.383 9.558 -2.894 171 HD22 LEU 20 HD22 LEU 20 26.180 8.417 -4.245 172 HD23 LEU 20 HD23 LEU 20 25.776 10.138 -4.463 Start of MODEL 68 1 H1 TRP 1 HT1 TRP 1 36.622 16.131 16.243 2 H2 TRP 1 HT2 TRP 1 38.036 15.819 15.355 3 H3 TRP 1 HT3 TRP 1 38.048 15.701 17.050 4 HA TRP 1 HA TRP 1 36.586 13.848 17.006 5 HB2 TRP 1 HB2 TRP 1 36.625 14.376 14.009 6 HB3 TRP 1 HB1 TRP 1 36.046 12.854 14.728 7 HD1 TRP 1 HD1 TRP 1 33.877 13.003 16.318 8 HE1 TRP 1 HE1 TRP 1 31.886 14.676 16.383 9 HE3 TRP 1 HE3 TRP 1 35.953 16.828 13.623 10 HZ2 TRP 1 HZ2 TRP 1 31.307 17.314 15.385 11 HZ3 TRP 1 HZ3 TRP 1 34.662 18.914 13.190 12 HH2 TRP 1 HH2 TRP 1 32.343 19.160 14.068 13 H LEU 2 HN LEU 2 37.171 11.632 15.701 14 HA LEU 2 HA LEU 2 39.954 11.190 16.370 15 HB2 LEU 2 HB2 LEU 2 37.913 9.548 16.405 16 HB3 LEU 2 HB1 LEU 2 38.254 9.332 14.677 17 HG LEU 2 HG LEU 2 40.755 8.915 15.517 18 HD11 LEU 2 HD11 LEU 2 40.762 7.736 17.734 19 HD12 LEU 2 HD12 LEU 2 39.090 8.280 17.997 20 HD13 LEU 2 HD13 LEU 2 40.406 9.471 17.880 21 HD21 LEU 2 HD21 LEU 2 40.246 6.491 15.745 22 HD22 LEU 2 HD22 LEU 2 39.354 7.224 14.389 23 HD23 LEU 2 HD23 LEU 2 38.518 6.878 15.922 24 H ARG 3 HN ARG 3 38.519 12.672 13.769 25 HA ARG 3 HA ARG 3 39.306 13.323 11.692 26 HB2 ARG 3 HB2 ARG 3 42.004 12.127 12.421 27 HB3 ARG 3 HB1 ARG 3 41.658 13.447 11.287 28 HG2 ARG 3 HG2 ARG 3 41.143 13.593 14.294 29 HG3 ARG 3 HG1 ARG 3 42.595 14.224 13.495 30 HD2 ARG 3 HD2 ARG 3 39.719 15.144 13.085 31 HD3 ARG 3 HD1 ARG 3 41.066 16.070 13.782 32 HE ARG 3 HE ARG 3 41.763 15.248 11.121 33 HH11 ARG 3 HH11 ARG 3 39.039 16.173 10.506 34 HH12 ARG 3 HH12 ARG 3 39.239 17.881 10.305 35 HH21 ARG 3 HH21 ARG 3 42.321 17.973 11.894 36 HH22 ARG 3 HH22 ARG 3 41.097 18.900 11.092 37 H ARG 4 HN ARG 4 41.365 10.430 12.177 38 HA ARG 4 HA ARG 4 41.149 9.349 9.640 39 HB2 ARG 4 HB2 ARG 4 42.515 8.468 11.570 40 HB3 ARG 4 HB1 ARG 4 41.034 7.701 12.193 41 HG2 ARG 4 HG2 ARG 4 40.791 6.433 10.083 42 HG3 ARG 4 HG1 ARG 4 42.261 7.210 9.443 43 HD2 ARG 4 HD2 ARG 4 43.633 6.188 11.159 44 HD3 ARG 4 HD1 ARG 4 42.197 5.576 12.014 45 HE ARG 4 HE ARG 4 42.326 4.592 9.281 46 HH11 ARG 4 HH11 ARG 4 42.600 2.348 9.124 47 HH12 ARG 4 HH12 ARG 4 43.384 1.496 10.412 48 HH21 ARG 4 HH21 ARG 4 43.747 4.311 12.406 49 HH22 ARG 4 HH22 ARG 4 44.033 2.607 12.271 50 H ILE 5 HN ILE 5 38.657 9.497 12.098 51 HA ILE 5 HA ILE 5 36.977 7.445 10.817 52 HB ILE 5 HB ILE 5 36.893 7.917 13.284 53 HG12 ILE 5 HG12 ILE 5 34.280 8.476 11.801 54 HG13 ILE 5 HG11 ILE 5 34.998 6.862 12.009 55 HG21 ILE 5 HG21 ILE 5 35.382 10.447 12.517 56 HG22 ILE 5 HG22 ILE 5 37.116 10.458 12.918 57 HG23 ILE 5 HG23 ILE 5 35.925 9.936 14.132 58 HD11 ILE 5 HD1 ILE 5 34.974 7.361 14.548 59 HD12 ILE 5 HD2 ILE 5 33.405 7.054 13.770 60 HD13 ILE 5 HD3 ILE 5 33.897 8.721 14.147 61 H GLY 6 HN GLY 6 37.220 10.992 10.912 62 HA2 GLY 6 HA1 GLY 6 34.753 11.471 9.500 63 HA3 GLY 6 HA2 GLY 6 36.097 12.614 9.699 64 H LYS 7 HN LYS 7 38.027 10.687 8.511 65 HA LYS 7 HA LYS 7 38.954 10.334 6.423 66 HB2 LYS 7 HB2 LYS 7 36.036 9.842 5.710 67 HB3 LYS 7 HB1 LYS 7 37.415 9.465 4.650 68 HG2 LYS 7 HG2 LYS 7 38.291 7.851 6.190 69 HG3 LYS 7 HG1 LYS 7 37.219 8.405 7.497 70 HD2 LYS 7 HD2 LYS 7 36.431 6.269 6.463 71 HD3 LYS 7 HD1 LYS 7 35.251 7.589 6.283 72 HE2 LYS 7 HE2 LYS 7 35.755 6.135 4.191 73 HE3 LYS 7 HE1 LYS 7 35.773 7.902 3.988 74 HZ1 LYS 7 HZ1 LYS 7 37.707 6.890 2.965 75 HZ2 LYS 7 HZ2 LYS 7 38.151 6.162 4.433 76 HZ3 LYS 7 HZ3 LYS 7 38.187 7.853 4.275 77 H GLY 8 HN GLY 8 39.894 11.922 5.353 78 HA2 GLY 8 HA1 GLY 8 38.326 13.618 3.556 79 HA3 GLY 8 HA2 GLY 8 39.001 14.493 4.946 80 H VAL 9 HN VAL 9 39.507 13.730 1.784 81 HA VAL 9 HA VAL 9 42.374 13.178 1.872 82 HB VAL 9 HB VAL 9 40.630 14.133 -0.446 83 HG11 VAL 9 HG11 VAL 9 43.452 12.997 -0.259 84 HG12 VAL 9 HG12 VAL 9 42.950 14.547 -0.972 85 HG13 VAL 9 HG13 VAL 9 42.519 13.021 -1.773 86 HG21 VAL 9 HG21 VAL 9 39.985 11.942 0.676 87 HG22 VAL 9 HG22 VAL 9 41.596 11.325 0.237 88 HG23 VAL 9 HG23 VAL 9 40.445 11.797 -1.037 89 H LYS 10 HN LYS 10 41.217 15.770 -0.217 90 HA LYS 10 HA LYS 10 42.136 17.957 1.423 91 HB2 LYS 10 HB2 LYS 10 44.322 16.753 0.839 92 HB3 LYS 10 HB1 LYS 10 44.025 17.230 -0.848 93 HG2 LYS 10 HG2 LYS 10 43.829 19.628 -0.044 94 HG3 LYS 10 HG1 LYS 10 44.367 19.072 1.558 95 HD2 LYS 10 HD2 LYS 10 45.927 18.661 -1.034 96 HD3 LYS 10 HD1 LYS 10 46.240 19.965 0.133 97 HE2 LYS 10 HE2 LYS 10 46.454 18.036 1.897 98 HE3 LYS 10 HE1 LYS 10 46.638 16.977 0.477 99 HZ1 LYS 10 HZ1 LYS 10 48.413 19.072 1.491 100 HZ2 LYS 10 HZ2 LYS 10 48.325 18.874 -0.194 101 HZ3 LYS 10 HZ3 LYS 10 48.789 17.572 0.794 102 H ILE 11 HN ILE 11 41.189 16.521 -1.607 103 HA ILE 11 HA ILE 11 40.062 19.169 -2.475 104 HB ILE 11 HB ILE 11 41.372 17.220 -4.412 105 HG12 ILE 11 HG12 ILE 11 42.529 19.726 -3.104 106 HG13 ILE 11 HG11 ILE 11 43.121 18.060 -2.909 107 HG21 ILE 11 HG21 ILE 11 41.128 18.997 -6.006 108 HG22 ILE 11 HG22 ILE 11 40.748 20.186 -4.736 109 HG23 ILE 11 HG23 ILE 11 39.573 18.914 -5.148 110 HD11 ILE 11 HD1 ILE 11 44.572 18.998 -4.537 111 HD12 ILE 11 HD2 ILE 11 43.242 19.836 -5.369 112 HD13 ILE 11 HD3 ILE 11 43.402 18.067 -5.500 113 H ILE 12 HN ILE 12 40.187 15.625 -2.926 114 HA ILE 12 HA ILE 12 37.474 15.634 -4.127 115 HB ILE 12 HB ILE 12 39.332 13.351 -3.357 116 HG12 ILE 12 HG12 ILE 12 38.833 14.609 -6.097 117 HG13 ILE 12 HG11 ILE 12 40.248 14.956 -5.077 118 HG21 ILE 12 HG21 ILE 12 36.823 13.463 -5.101 119 HG22 ILE 12 HG22 ILE 12 37.007 12.593 -3.562 120 HG23 ILE 12 HG23 ILE 12 37.900 12.053 -4.996 121 HD11 ILE 12 HD1 ILE 12 39.558 12.431 -6.594 122 HD12 ILE 12 HD2 ILE 12 40.503 12.284 -5.093 123 HD13 ILE 12 HD3 ILE 12 41.118 13.266 -6.441 124 H GLY 13 HN GLY 13 38.514 13.090 -1.903 125 HA2 GLY 13 HA1 GLY 13 36.090 13.191 -0.382 126 HA3 GLY 13 HA2 GLY 13 37.608 12.407 0.121 127 H GLY 14 HN GLY 14 38.599 15.246 -0.748 128 HA2 GLY 14 HA1 GLY 14 38.742 16.339 1.985 129 HA3 GLY 14 HA2 GLY 14 39.559 16.960 0.532 130 H ALA 15 HN ALA 15 37.479 17.306 -1.275 131 HA ALA 15 HA ALA 15 36.109 19.637 0.009 132 HB1 ALA 15 HB1 ALA 15 35.859 18.583 -2.834 133 HB2 ALA 15 HB2 ALA 15 37.075 19.777 -2.308 134 HB3 ALA 15 HB3 ALA 15 35.344 20.170 -2.221 135 H ALA 16 HN ALA 16 35.616 16.889 0.858 136 HA ALA 16 HA ALA 16 33.770 15.738 1.621 137 HB1 ALA 16 HB1 ALA 16 32.675 18.124 1.460 138 HB2 ALA 16 HB2 ALA 16 31.634 16.689 1.608 139 HB3 ALA 16 HB3 ALA 16 31.866 17.460 0.022 140 H LEU 17 HN LEU 17 35.302 14.998 -0.682 141 HA LEU 17 HA LEU 17 35.134 13.542 -2.494 142 HB2 LEU 17 HB2 LEU 17 33.605 12.485 -0.489 143 HB3 LEU 17 HB1 LEU 17 32.367 12.626 -1.751 144 HG LEU 17 HG LEU 17 35.061 11.216 -2.070 145 HD11 LEU 17 HD11 LEU 17 33.662 9.152 -2.108 146 HD12 LEU 17 HD12 LEU 17 32.227 10.137 -1.734 147 HD13 LEU 17 HD13 LEU 17 33.548 10.005 -0.550 148 HD21 LEU 17 HD21 LEU 17 34.230 12.141 -4.191 149 HD22 LEU 17 HD22 LEU 17 32.621 11.438 -3.892 150 HD23 LEU 17 HD23 LEU 17 34.017 10.375 -4.186 151 H ASP 18 HN ASP 18 34.210 16.267 -2.809 152 HA ASP 18 HA ASP 18 33.117 17.566 -4.382 153 HB2 ASP 18 HB2 ASP 18 34.312 15.973 -5.918 154 HB3 ASP 18 HB1 ASP 18 32.837 14.981 -5.962 155 H HIS 19 HN HIS 19 31.344 14.530 -5.055 156 HA HIS 19 HA HIS 19 28.964 15.498 -3.597 157 HB2 HIS 19 HB2 HIS 19 27.522 15.393 -5.641 158 HB3 HIS 19 HB1 HIS 19 28.698 16.729 -5.683 159 HD1 HIS 19 HD1 HIS 19 30.805 13.973 -6.201 160 HD2 HIS 19 HD2 HIS 19 27.883 15.777 -8.628 161 HE1 HIS 19 HE1 HIS 19 31.335 13.351 -8.621 162 H LEU 20 HN LEU 20 30.116 13.390 -2.737 163 HA LEU 20 HA LEU 20 29.918 11.110 -2.386 164 HB2 LEU 20 HB2 LEU 20 27.472 11.842 -2.278 165 HB3 LEU 20 HB1 LEU 20 27.329 11.304 -3.965 166 HG LEU 20 HG LEU 20 28.375 9.036 -3.054 167 HD11 LEU 20 HD11 LEU 20 27.239 10.308 -0.520 168 HD12 LEU 20 HD12 LEU 20 28.911 9.760 -0.784 169 HD13 LEU 20 HD13 LEU 20 27.590 8.575 -0.702 170 HD21 LEU 20 HD21 LEU 20 26.081 8.220 -2.500 171 HD22 LEU 20 HD22 LEU 20 26.102 9.228 -3.968 172 HD23 LEU 20 HD23 LEU 20 25.517 9.907 -2.429 Start of MODEL 69 1 H1 TRP 1 HT1 TRP 1 37.546 7.890 12.448 2 H2 TRP 1 HT2 TRP 1 36.408 9.137 12.646 3 H3 TRP 1 HT3 TRP 1 37.006 8.302 14.000 4 HA TRP 1 HA TRP 1 38.768 9.563 14.171 5 HB2 TRP 1 HB2 TRP 1 38.963 9.386 11.137 6 HB3 TRP 1 HB1 TRP 1 40.191 10.108 12.205 7 HD1 TRP 1 HD1 TRP 1 40.978 8.309 14.282 8 HE1 TRP 1 HE1 TRP 1 41.651 5.810 14.030 9 HE3 TRP 1 HE3 TRP 1 38.731 7.317 9.789 10 HZ2 TRP 1 HZ2 TRP 1 41.251 3.693 12.119 11 HZ3 TRP 1 HZ3 TRP 1 38.890 5.051 8.771 12 HH2 TRP 1 HH2 TRP 1 40.148 3.239 9.930 13 H LEU 2 HN LEU 2 39.688 11.795 13.153 14 HA LEU 2 HA LEU 2 37.505 13.665 13.511 15 HB2 LEU 2 HB2 LEU 2 40.256 14.264 12.371 16 HB3 LEU 2 HB1 LEU 2 39.175 15.364 13.262 17 HG LEU 2 HG LEU 2 40.546 12.876 14.382 18 HD11 LEU 2 HD11 LEU 2 42.070 14.782 14.059 19 HD12 LEU 2 HD12 LEU 2 41.746 14.552 15.793 20 HD13 LEU 2 HD13 LEU 2 40.933 15.860 14.900 21 HD21 LEU 2 HD21 LEU 2 38.493 14.811 15.532 22 HD22 LEU 2 HD22 LEU 2 39.610 13.916 16.590 23 HD23 LEU 2 HD23 LEU 2 38.475 13.031 15.547 24 H ARG 3 HN ARG 3 38.398 11.790 10.911 25 HA ARG 3 HA ARG 3 37.553 11.747 8.752 26 HB2 ARG 3 HB2 ARG 3 35.614 13.161 9.855 27 HB3 ARG 3 HB1 ARG 3 36.367 14.529 9.005 28 HG2 ARG 3 HG2 ARG 3 36.231 13.214 6.866 29 HG3 ARG 3 HG1 ARG 3 35.348 11.944 7.747 30 HD2 ARG 3 HD2 ARG 3 33.786 13.489 6.591 31 HD3 ARG 3 HD1 ARG 3 33.591 13.575 8.358 32 HE ARG 3 HE ARG 3 35.453 15.574 7.706 33 HH11 ARG 3 HH11 ARG 3 33.211 15.207 5.412 34 HH12 ARG 3 HH12 ARG 3 32.261 16.608 5.778 35 HH21 ARG 3 HH21 ARG 3 33.805 17.182 8.830 36 HH22 ARG 3 HH22 ARG 3 32.598 17.727 7.712 37 H ARG 4 HN ARG 4 38.718 14.982 9.774 38 HA ARG 4 HA ARG 4 39.818 15.610 7.167 39 HB2 ARG 4 HB2 ARG 4 40.356 16.727 9.947 40 HB3 ARG 4 HB1 ARG 4 41.049 17.401 8.452 41 HG2 ARG 4 HG2 ARG 4 38.797 17.806 7.554 42 HG3 ARG 4 HG1 ARG 4 38.066 17.061 8.996 43 HD2 ARG 4 HD2 ARG 4 38.103 19.570 9.101 44 HD3 ARG 4 HD1 ARG 4 39.007 18.804 10.430 45 HE ARG 4 HE ARG 4 40.924 19.236 8.461 46 HH11 ARG 4 HH11 ARG 4 40.472 20.699 11.188 47 HH12 ARG 4 HH12 ARG 4 40.565 22.344 10.656 48 HH21 ARG 4 HH21 ARG 4 40.235 21.556 7.296 49 HH22 ARG 4 HH22 ARG 4 40.434 22.829 8.452 50 H ILE 5 HN ILE 5 41.196 14.395 10.239 51 HA ILE 5 HA ILE 5 43.864 14.082 9.010 52 HB ILE 5 HB ILE 5 42.890 13.024 11.697 53 HG12 ILE 5 HG12 ILE 5 42.357 15.350 11.775 54 HG13 ILE 5 HG11 ILE 5 43.920 15.206 12.600 55 HG21 ILE 5 HG21 ILE 5 45.395 13.457 12.222 56 HG22 ILE 5 HG22 ILE 5 45.616 13.571 10.462 57 HG23 ILE 5 HG23 ILE 5 44.998 12.073 11.183 58 HD11 ILE 5 HD1 ILE 5 44.996 15.796 10.326 59 HD12 ILE 5 HD2 ILE 5 44.121 17.099 11.155 60 HD13 ILE 5 HD3 ILE 5 43.359 16.244 9.795 61 H GLY 6 HN GLY 6 40.961 12.243 9.388 62 HA2 GLY 6 HA1 GLY 6 42.158 9.615 9.389 63 HA3 GLY 6 HA2 GLY 6 40.476 10.012 8.989 64 H LYS 7 HN LYS 7 41.280 11.927 6.883 65 HA LYS 7 HA LYS 7 42.801 10.406 4.911 66 HB2 LYS 7 HB2 LYS 7 40.708 9.111 4.852 67 HB3 LYS 7 HB1 LYS 7 39.781 10.606 4.580 68 HG2 LYS 7 HG2 LYS 7 40.736 10.942 2.420 69 HG3 LYS 7 HG1 LYS 7 42.041 9.771 2.722 70 HD2 LYS 7 HD2 LYS 7 40.267 8.847 1.224 71 HD3 LYS 7 HD1 LYS 7 40.428 7.920 2.734 72 HE2 LYS 7 HE2 LYS 7 38.451 8.881 3.663 73 HE3 LYS 7 HE1 LYS 7 38.408 10.177 2.442 74 HZ1 LYS 7 HZ1 LYS 7 38.104 8.383 0.753 75 HZ2 LYS 7 HZ2 LYS 7 36.806 8.554 1.837 76 HZ3 LYS 7 HZ3 LYS 7 37.909 7.276 2.023 77 H GLY 8 HN GLY 8 39.903 12.422 4.395 78 HA2 GLY 8 HA1 GLY 8 39.708 14.410 3.212 79 HA3 GLY 8 HA2 GLY 8 40.994 14.962 4.303 80 H VAL 9 HN VAL 9 40.211 13.686 1.119 81 HA VAL 9 HA VAL 9 42.954 13.600 0.179 82 HB VAL 9 HB VAL 9 40.520 14.001 -1.610 83 HG11 VAL 9 HG11 VAL 9 43.146 12.459 -1.870 84 HG12 VAL 9 HG12 VAL 9 42.692 13.939 -2.745 85 HG13 VAL 9 HG13 VAL 9 41.831 12.419 -3.066 86 HG21 VAL 9 HG21 VAL 9 41.414 11.477 -0.153 87 HG22 VAL 9 HG22 VAL 9 40.287 11.485 -1.531 88 HG23 VAL 9 HG23 VAL 9 39.842 12.300 -0.013 89 H LYS 10 HN LYS 10 41.155 16.123 1.228 90 HA LYS 10 HA LYS 10 41.398 18.413 1.057 91 HB2 LYS 10 HB2 LYS 10 43.742 17.936 -0.813 92 HB3 LYS 10 HB1 LYS 10 43.408 19.372 0.174 93 HG2 LYS 10 HG2 LYS 10 43.839 18.189 2.223 94 HG3 LYS 10 HG1 LYS 10 43.871 16.616 1.393 95 HD2 LYS 10 HD2 LYS 10 45.876 17.264 0.152 96 HD3 LYS 10 HD1 LYS 10 45.835 18.887 0.885 97 HE2 LYS 10 HE2 LYS 10 46.223 16.241 2.353 98 HE3 LYS 10 HE1 LYS 10 47.452 17.503 2.097 99 HZ1 LYS 10 HZ1 LYS 10 45.598 18.967 3.235 100 HZ2 LYS 10 HZ2 LYS 10 46.716 18.077 4.155 101 HZ3 LYS 10 HZ3 LYS 10 45.146 17.477 3.909 102 H ILE 11 HN ILE 11 40.941 16.420 -1.680 103 HA ILE 11 HA ILE 11 39.855 18.769 -3.239 104 HB ILE 11 HB ILE 11 40.983 16.223 -4.462 105 HG12 ILE 11 HG12 ILE 11 42.364 18.914 -4.033 106 HG13 ILE 11 HG11 ILE 11 42.788 17.388 -3.223 107 HG21 ILE 11 HG21 ILE 11 40.609 18.986 -5.692 108 HG22 ILE 11 HG22 ILE 11 39.327 17.753 -5.718 109 HG23 ILE 11 HG23 ILE 11 40.878 17.439 -6.528 110 HD11 ILE 11 HD1 ILE 11 43.103 18.128 -6.151 111 HD12 ILE 11 HD2 ILE 11 43.085 16.426 -5.627 112 HD13 ILE 11 HD3 ILE 11 44.336 17.534 -5.016 113 H ILE 12 HN ILE 12 39.679 15.237 -2.661 114 HA ILE 12 HA ILE 12 36.902 15.205 -3.762 115 HB ILE 12 HB ILE 12 38.698 12.968 -2.753 116 HG12 ILE 12 HG12 ILE 12 37.996 13.647 -5.650 117 HG13 ILE 12 HG11 ILE 12 39.451 14.278 -4.851 118 HG21 ILE 12 HG21 ILE 12 36.994 11.604 -4.235 119 HG22 ILE 12 HG22 ILE 12 35.948 13.028 -4.059 120 HG23 ILE 12 HG23 ILE 12 36.481 12.126 -2.622 121 HD11 ILE 12 HD1 ILE 12 40.311 12.355 -5.874 122 HD12 ILE 12 HD2 ILE 12 38.805 11.436 -5.674 123 HD13 ILE 12 HD3 ILE 12 39.880 11.698 -4.280 124 H GLY 13 HN GLY 13 37.894 12.941 -1.258 125 HA2 GLY 13 HA1 GLY 13 35.620 13.455 0.377 126 HA3 GLY 13 HA2 GLY 13 37.114 12.648 0.908 127 H GLY 14 HN GLY 14 38.233 15.246 -0.402 128 HA2 GLY 14 HA1 GLY 14 38.558 16.727 2.134 129 HA3 GLY 14 HA2 GLY 14 39.369 17.049 0.585 130 H ALA 15 HN ALA 15 37.322 17.279 -1.223 131 HA ALA 15 HA ALA 15 36.107 19.855 -0.303 132 HB1 ALA 15 HB1 ALA 15 35.465 20.163 -2.582 133 HB2 ALA 15 HB2 ALA 15 35.713 18.444 -2.965 134 HB3 ALA 15 HB3 ALA 15 37.111 19.494 -2.623 135 H ALA 16 HN ALA 16 35.456 17.274 0.916 136 HA ALA 16 HA ALA 16 33.563 16.296 1.787 137 HB1 ALA 16 HB1 ALA 16 31.768 18.034 0.076 138 HB2 ALA 16 HB2 ALA 16 32.636 18.725 1.467 139 HB3 ALA 16 HB3 ALA 16 31.488 17.387 1.709 140 H LEU 17 HN LEU 17 34.937 15.057 -0.222 141 HA LEU 17 HA LEU 17 34.658 13.361 -1.787 142 HB2 LEU 17 HB2 LEU 17 31.673 13.443 -1.201 143 HB3 LEU 17 HB1 LEU 17 32.604 12.093 -1.871 144 HG LEU 17 HG LEU 17 33.331 13.192 0.871 145 HD11 LEU 17 HD11 LEU 17 30.935 12.803 1.047 146 HD12 LEU 17 HD12 LEU 17 31.793 11.469 1.857 147 HD13 LEU 17 HD13 LEU 17 31.093 11.226 0.238 148 HD21 LEU 17 HD21 LEU 17 34.246 11.002 1.213 149 HD22 LEU 17 HD22 LEU 17 34.712 11.442 -0.445 150 HD23 LEU 17 HD23 LEU 17 33.356 10.328 -0.172 151 H ASP 18 HN ASP 18 34.208 16.304 -2.371 152 HA ASP 18 HA ASP 18 33.656 17.603 -4.206 153 HB2 ASP 18 HB2 ASP 18 35.142 16.024 -5.368 154 HB3 ASP 18 HB1 ASP 18 33.774 14.920 -5.644 155 H HIS 19 HN HIS 19 31.978 14.700 -5.416 156 HA HIS 19 HA HIS 19 29.629 16.066 -6.165 157 HB2 HIS 19 HB2 HIS 19 29.955 13.171 -5.279 158 HB3 HIS 19 HB1 HIS 19 28.549 13.825 -6.154 159 HD1 HIS 19 HD1 HIS 19 30.088 15.714 -8.131 160 HD2 HIS 19 HD2 HIS 19 31.172 11.729 -7.334 161 HE1 HIS 19 HE1 HIS 19 31.413 14.867 -10.144 162 H LEU 20 HN LEU 20 30.584 14.688 -3.049 163 HA LEU 20 HA LEU 20 29.553 14.759 -0.977 164 HB2 LEU 20 HB2 LEU 20 29.900 17.139 -1.152 165 HB3 LEU 20 HB1 LEU 20 28.499 17.324 -2.229 166 HG LEU 20 HG LEU 20 26.951 16.812 -0.435 167 HD11 LEU 20 HD11 LEU 20 28.010 15.051 0.776 168 HD12 LEU 20 HD12 LEU 20 27.949 16.406 1.925 169 HD13 LEU 20 HD13 LEU 20 29.469 16.023 1.081 170 HD21 LEU 20 HD21 LEU 20 29.149 18.622 0.661 171 HD22 LEU 20 HD22 LEU 20 27.428 18.644 1.119 172 HD23 LEU 20 HD23 LEU 20 27.920 19.122 -0.525 Start of MODEL 70 1 H1 TRP 1 HT1 TRP 1 49.102 16.611 14.169 2 H2 TRP 1 HT2 TRP 1 49.317 18.279 14.414 3 H3 TRP 1 HT3 TRP 1 49.809 17.558 12.955 4 HA TRP 1 HA TRP 1 47.176 18.341 13.870 5 HB2 TRP 1 HB2 TRP 1 48.658 18.209 11.216 6 HB3 TRP 1 HB1 TRP 1 46.949 18.685 11.355 7 HD1 TRP 1 HD1 TRP 1 46.427 21.084 12.135 8 HE1 TRP 1 HE1 TRP 1 47.838 23.160 12.811 9 HE3 TRP 1 HE3 TRP 1 51.030 18.865 12.449 10 HZ2 TRP 1 HZ2 TRP 1 50.593 23.745 13.404 11 HZ3 TRP 1 HZ3 TRP 1 53.036 20.202 13.073 12 HH2 TRP 1 HH2 TRP 1 52.823 22.638 13.550 13 H LEU 2 HN LEU 2 45.289 17.453 12.733 14 HA LEU 2 HA LEU 2 45.156 14.609 13.062 15 HB2 LEU 2 HB2 LEU 2 43.267 16.388 13.141 16 HB3 LEU 2 HB1 LEU 2 43.247 16.259 11.370 17 HG LEU 2 HG LEU 2 43.071 13.643 11.835 18 HD11 LEU 2 HD11 LEU 2 42.081 14.858 14.456 19 HD12 LEU 2 HD12 LEU 2 43.391 13.671 14.255 20 HD13 LEU 2 HD13 LEU 2 41.711 13.206 13.914 21 HD21 LEU 2 HD21 LEU 2 40.742 15.544 12.361 22 HD22 LEU 2 HD22 LEU 2 40.599 13.834 11.886 23 HD23 LEU 2 HD23 LEU 2 41.312 15.015 10.761 24 H ARG 3 HN ARG 3 46.293 16.590 10.509 25 HA ARG 3 HA ARG 3 47.260 16.019 8.489 26 HB2 ARG 3 HB2 ARG 3 47.810 13.804 9.790 27 HB3 ARG 3 HB1 ARG 3 46.492 13.099 8.829 28 HG2 ARG 3 HG2 ARG 3 47.619 13.869 6.744 29 HG3 ARG 3 HG1 ARG 3 48.958 14.515 7.722 30 HD2 ARG 3 HD2 ARG 3 49.216 12.157 8.692 31 HD3 ARG 3 HD1 ARG 3 48.101 11.611 7.415 32 HE ARG 3 HE ARG 3 49.865 11.865 5.864 33 HH11 ARG 3 HH11 ARG 3 51.221 12.148 8.840 34 HH12 ARG 3 HH12 ARG 3 52.514 13.207 8.385 35 HH21 ARG 3 HH21 ARG 3 51.226 13.857 5.231 36 HH22 ARG 3 HH22 ARG 3 52.517 14.174 6.342 37 H ARG 4 HN ARG 4 44.517 13.709 8.880 38 HA ARG 4 HA ARG 4 43.593 14.177 6.178 39 HB2 ARG 4 HB2 ARG 4 42.162 12.981 8.585 40 HB3 ARG 4 HB1 ARG 4 41.605 12.884 6.897 41 HG2 ARG 4 HG2 ARG 4 43.601 11.639 6.254 42 HG3 ARG 4 HG1 ARG 4 44.301 11.849 7.878 43 HD2 ARG 4 HD2 ARG 4 43.331 9.622 7.761 44 HD3 ARG 4 HD1 ARG 4 42.302 10.617 8.818 45 HE ARG 4 HE ARG 4 41.268 10.820 6.177 46 HH11 ARG 4 HH11 ARG 4 40.125 9.034 5.203 47 HH12 ARG 4 HH12 ARG 4 39.506 7.812 6.264 48 HH21 ARG 4 HH21 ARG 4 41.183 9.011 9.053 49 HH22 ARG 4 HH22 ARG 4 40.103 7.801 8.444 50 H ILE 5 HN ILE 5 43.698 16.253 8.684 51 HA ILE 5 HA ILE 5 42.584 18.213 9.186 52 HB ILE 5 HB ILE 5 41.085 17.869 6.557 53 HG12 ILE 5 HG12 ILE 5 43.386 17.585 5.963 54 HG13 ILE 5 HG11 ILE 5 43.011 19.280 5.604 55 HG21 ILE 5 HG21 ILE 5 41.327 20.462 6.666 56 HG22 ILE 5 HG22 ILE 5 41.710 20.217 8.385 57 HG23 ILE 5 HG23 ILE 5 40.145 19.684 7.738 58 HD11 ILE 5 HD1 ILE 5 45.119 19.325 6.720 59 HD12 ILE 5 HD2 ILE 5 44.589 18.152 7.946 60 HD13 ILE 5 HD3 ILE 5 43.945 19.810 7.962 61 H GLY 6 HN GLY 6 39.974 16.647 7.287 62 HA2 GLY 6 HA1 GLY 6 38.451 16.183 9.814 63 HA3 GLY 6 HA2 GLY 6 37.738 17.228 8.567 64 H LYS 7 HN LYS 7 39.542 14.121 8.589 65 HA LYS 7 HA LYS 7 39.043 12.100 7.574 66 HB2 LYS 7 HB2 LYS 7 36.126 12.941 7.684 67 HB3 LYS 7 HB1 LYS 7 36.798 11.292 7.707 68 HG2 LYS 7 HG2 LYS 7 37.966 11.893 9.878 69 HG3 LYS 7 HG1 LYS 7 37.044 13.415 9.879 70 HD2 LYS 7 HD2 LYS 7 34.923 12.038 9.712 71 HD3 LYS 7 HD1 LYS 7 35.922 10.583 9.956 72 HE2 LYS 7 HE2 LYS 7 35.779 12.954 11.871 73 HE3 LYS 7 HE1 LYS 7 34.932 11.404 12.094 74 HZ1 LYS 7 HZ1 LYS 7 37.312 10.440 11.769 75 HZ2 LYS 7 HZ2 LYS 7 36.851 11.068 13.279 76 HZ3 LYS 7 HZ3 LYS 7 37.816 11.993 12.230 77 H GLY 8 HN GLY 8 40.074 13.456 5.732 78 HA2 GLY 8 HA1 GLY 8 38.537 12.843 3.336 79 HA3 GLY 8 HA2 GLY 8 38.680 14.589 3.622 80 H VAL 9 HN VAL 9 39.713 13.394 1.339 81 HA VAL 9 HA VAL 9 42.524 12.756 1.680 82 HB VAL 9 HB VAL 9 41.013 13.661 -0.813 83 HG11 VAL 9 HG11 VAL 9 43.381 13.960 -1.165 84 HG12 VAL 9 HG12 VAL 9 42.940 12.421 -1.942 85 HG13 VAL 9 HG13 VAL 9 43.757 12.418 -0.360 86 HG21 VAL 9 HG21 VAL 9 41.769 10.869 0.162 87 HG22 VAL 9 HG22 VAL 9 40.857 11.267 -1.313 88 HG23 VAL 9 HG23 VAL 9 40.140 11.577 0.287 89 H LYS 10 HN LYS 10 41.324 15.394 -0.402 90 HA LYS 10 HA LYS 10 42.548 17.509 1.127 91 HB2 LYS 10 HB2 LYS 10 44.597 16.256 0.278 92 HB3 LYS 10 HB1 LYS 10 44.082 16.683 -1.364 93 HG2 LYS 10 HG2 LYS 10 45.638 18.379 -0.776 94 HG3 LYS 10 HG1 LYS 10 44.049 19.139 -0.558 95 HD2 LYS 10 HD2 LYS 10 44.173 19.016 1.812 96 HD3 LYS 10 HD1 LYS 10 45.454 17.784 1.779 97 HE2 LYS 10 HE2 LYS 10 46.161 20.196 2.365 98 HE3 LYS 10 HE1 LYS 10 47.104 19.363 1.107 99 HZ1 LYS 10 HZ1 LYS 10 46.269 21.739 0.660 100 HZ2 LYS 10 HZ2 LYS 10 44.758 21.012 0.386 101 HZ3 LYS 10 HZ3 LYS 10 46.097 20.579 -0.566 102 H ILE 11 HN ILE 11 41.298 16.182 -1.872 103 HA ILE 11 HA ILE 11 40.149 18.890 -2.533 104 HB ILE 11 HB ILE 11 41.082 16.889 -4.634 105 HG12 ILE 11 HG12 ILE 11 42.551 19.313 -3.495 106 HG13 ILE 11 HG11 ILE 11 43.049 17.613 -3.340 107 HG21 ILE 11 HG21 ILE 11 40.611 19.891 -4.858 108 HG22 ILE 11 HG22 ILE 11 39.311 18.703 -5.114 109 HG23 ILE 11 HG23 ILE 11 40.742 18.695 -6.170 110 HD11 ILE 11 HD1 ILE 11 43.014 17.570 -5.945 111 HD12 ILE 11 HD2 ILE 11 44.352 18.432 -5.148 112 HD13 ILE 11 HD3 ILE 11 42.987 19.347 -5.832 113 H ILE 12 HN ILE 12 40.020 15.362 -3.170 114 HA ILE 12 HA ILE 12 37.222 15.513 -4.024 115 HB ILE 12 HB ILE 12 38.958 13.146 -3.241 116 HG12 ILE 12 HG12 ILE 12 38.297 14.123 -6.061 117 HG13 ILE 12 HG11 ILE 12 39.753 14.651 -5.192 118 HG21 ILE 12 HG21 ILE 12 36.241 13.390 -4.600 119 HG22 ILE 12 HG22 ILE 12 36.697 12.378 -3.209 120 HG23 ILE 12 HG23 ILE 12 37.256 11.951 -4.835 121 HD11 ILE 12 HD1 ILE 12 39.070 11.907 -6.279 122 HD12 ILE 12 HD2 ILE 12 40.153 12.031 -4.872 123 HD13 ILE 12 HD3 ILE 12 40.586 12.824 -6.402 124 H GLY 13 HN GLY 13 38.197 12.999 -1.742 125 HA2 GLY 13 HA1 GLY 13 35.902 13.324 -0.083 126 HA3 GLY 13 HA2 GLY 13 37.410 12.502 0.382 127 H GLY 14 HN GLY 14 38.512 15.203 -0.690 128 HA2 GLY 14 HA1 GLY 14 38.859 16.444 1.954 129 HA3 GLY 14 HA2 GLY 14 39.601 16.954 0.421 130 H ALA 15 HN ALA 15 37.417 17.313 -1.258 131 HA ALA 15 HA ALA 15 36.219 19.751 0.012 132 HB1 ALA 15 HB1 ALA 15 35.369 20.250 -2.199 133 HB2 ALA 15 HB2 ALA 15 35.812 18.633 -2.789 134 HB3 ALA 15 HB3 ALA 15 37.083 19.804 -2.346 135 H ALA 16 HN ALA 16 35.670 17.042 0.945 136 HA ALA 16 HA ALA 16 33.818 15.978 1.822 137 HB1 ALA 16 HB1 ALA 16 32.804 18.401 1.652 138 HB2 ALA 16 HB2 ALA 16 31.720 17.010 1.885 139 HB3 ALA 16 HB3 ALA 16 31.904 17.734 0.271 140 H LEU 17 HN LEU 17 35.211 15.114 -0.509 141 HA LEU 17 HA LEU 17 34.916 13.552 -2.207 142 HB2 LEU 17 HB2 LEU 17 33.203 12.775 -0.209 143 HB3 LEU 17 HB1 LEU 17 32.044 12.974 -1.537 144 HG LEU 17 HG LEU 17 34.589 11.283 -1.666 145 HD11 LEU 17 HD11 LEU 17 31.674 10.402 -1.508 146 HD12 LEU 17 HD12 LEU 17 32.783 10.431 -0.115 147 HD13 LEU 17 HD13 LEU 17 33.115 9.358 -1.496 148 HD21 LEU 17 HD21 LEU 17 33.941 12.124 -3.867 149 HD22 LEU 17 HD22 LEU 17 32.242 11.674 -3.580 150 HD23 LEU 17 HD23 LEU 17 33.482 10.409 -3.756 151 H ASP 18 HN ASP 18 34.166 16.404 -2.533 152 HA ASP 18 HA ASP 18 33.125 17.770 -4.097 153 HB2 ASP 18 HB2 ASP 18 34.615 16.553 -5.598 154 HB3 ASP 18 HB1 ASP 18 33.436 15.230 -5.750 155 H HIS 19 HN HIS 19 31.654 14.950 -5.612 156 HA HIS 19 HA HIS 19 29.073 16.021 -5.747 157 HB2 HIS 19 HB2 HIS 19 29.841 13.089 -5.459 158 HB3 HIS 19 HB1 HIS 19 28.294 13.705 -6.090 159 HD1 HIS 19 HD1 HIS 19 32.013 13.542 -6.894 160 HD2 HIS 19 HD2 HIS 19 28.418 14.724 -8.729 161 HE1 HIS 19 HE1 HIS 19 32.512 13.924 -9.372 162 H LEU 20 HN LEU 20 30.711 14.574 -3.021 163 HA LEU 20 HA LEU 20 30.006 14.152 -0.855 164 HB2 LEU 20 HB2 LEU 20 29.741 16.543 -0.749 165 HB3 LEU 20 HB1 LEU 20 28.197 16.475 -1.626 166 HG LEU 20 HG LEU 20 27.089 15.411 0.247 167 HD11 LEU 20 HD11 LEU 20 29.913 15.139 1.353 168 HD12 LEU 20 HD12 LEU 20 28.701 13.862 1.085 169 HD13 LEU 20 HD13 LEU 20 28.481 15.034 2.405 170 HD21 LEU 20 HD21 LEU 20 27.366 17.134 1.987 171 HD22 LEU 20 HD22 LEU 20 27.424 17.878 0.371 172 HD23 LEU 20 HD23 LEU 20 28.929 17.614 1.285 Start of MODEL 71 1 H1 TRP 1 HT1 TRP 1 32.645 5.483 11.612 2 H2 TRP 1 HT2 TRP 1 34.254 4.965 11.779 3 H3 TRP 1 HT3 TRP 1 33.035 3.850 11.381 4 HA TRP 1 HA TRP 1 32.637 5.104 9.319 5 HB2 TRP 1 HB2 TRP 1 35.267 6.411 10.127 6 HB3 TRP 1 HB1 TRP 1 34.400 6.646 8.589 7 HD1 TRP 1 HD1 TRP 1 32.493 8.369 8.543 8 HE1 TRP 1 HE1 TRP 1 31.372 9.949 10.279 9 HE3 TRP 1 HE3 TRP 1 34.625 6.519 12.814 10 HZ2 TRP 1 HZ2 TRP 1 31.418 10.330 13.132 11 HZ3 TRP 1 HZ3 TRP 1 34.071 7.506 15.032 12 HH2 TRP 1 HH2 TRP 1 32.471 9.408 15.195 13 H LEU 2 HN LEU 2 33.868 4.535 7.360 14 HA LEU 2 HA LEU 2 35.092 1.918 7.699 15 HB2 LEU 2 HB2 LEU 2 35.133 3.604 5.177 16 HB3 LEU 2 HB1 LEU 2 35.149 1.829 5.323 17 HG LEU 2 HG LEU 2 32.844 3.694 6.045 18 HD11 LEU 2 HD11 LEU 2 32.997 1.476 3.962 19 HD12 LEU 2 HD12 LEU 2 33.312 3.187 3.590 20 HD13 LEU 2 HD13 LEU 2 31.706 2.683 4.171 21 HD21 LEU 2 HD21 LEU 2 31.643 1.407 6.334 22 HD22 LEU 2 HD22 LEU 2 32.742 1.914 7.636 23 HD23 LEU 2 HD23 LEU 2 33.275 0.704 6.443 24 H ARG 3 HN ARG 3 36.251 5.079 7.958 25 HA ARG 3 HA ARG 3 38.389 5.868 8.336 26 HB2 ARG 3 HB2 ARG 3 38.719 3.469 9.317 27 HB3 ARG 3 HB1 ARG 3 39.580 3.125 7.801 28 HG2 ARG 3 HG2 ARG 3 41.028 5.146 8.242 29 HG3 ARG 3 HG1 ARG 3 40.249 5.292 9.836 30 HD2 ARG 3 HD2 ARG 3 40.944 2.896 10.296 31 HD3 ARG 3 HD1 ARG 3 41.895 2.949 8.792 32 HE ARG 3 HE ARG 3 42.632 5.197 10.381 33 HH11 ARG 3 HH11 ARG 3 44.367 2.928 9.189 34 HH12 ARG 3 HH12 ARG 3 45.118 2.325 10.628 35 HH21 ARG 3 HH21 ARG 3 42.903 3.916 12.770 36 HH22 ARG 3 HH22 ARG 3 44.289 2.884 12.657 37 H ARG 4 HN ARG 4 37.927 3.643 5.608 38 HA ARG 4 HA ARG 4 40.108 4.769 4.044 39 HB2 ARG 4 HB2 ARG 4 39.144 2.459 3.735 40 HB3 ARG 4 HB1 ARG 4 37.676 3.219 3.073 41 HG2 ARG 4 HG2 ARG 4 38.965 4.263 1.279 42 HG3 ARG 4 HG1 ARG 4 40.488 3.661 1.977 43 HD2 ARG 4 HD2 ARG 4 38.201 1.922 0.948 44 HD3 ARG 4 HD1 ARG 4 39.734 2.227 0.096 45 HE ARG 4 HE ARG 4 40.534 1.240 2.564 46 HH11 ARG 4 HH11 ARG 4 39.308 0.163 -0.395 47 HH12 ARG 4 HH12 ARG 4 39.133 -1.490 0.090 48 HH21 ARG 4 HH21 ARG 4 39.916 -0.874 3.411 49 HH22 ARG 4 HH22 ARG 4 39.477 -2.077 2.245 50 H ILE 5 HN ILE 5 36.588 5.275 4.307 51 HA ILE 5 HA ILE 5 36.744 7.423 2.219 52 HB ILE 5 HB ILE 5 34.260 6.467 3.706 53 HG12 ILE 5 HG12 ILE 5 35.567 5.386 1.168 54 HG13 ILE 5 HG11 ILE 5 35.269 4.498 2.679 55 HG21 ILE 5 HG21 ILE 5 33.076 7.470 1.871 56 HG22 ILE 5 HG22 ILE 5 34.567 7.655 0.916 57 HG23 ILE 5 HG23 ILE 5 34.305 8.659 2.361 58 HD11 ILE 5 HD1 ILE 5 33.256 5.463 0.623 59 HD12 ILE 5 HD2 ILE 5 32.755 5.088 2.289 60 HD13 ILE 5 HD3 ILE 5 33.485 3.823 1.270 61 H GLY 6 HN GLY 6 35.888 6.874 5.649 62 HA2 GLY 6 HA1 GLY 6 34.996 9.453 6.301 63 HA3 GLY 6 HA2 GLY 6 35.845 8.365 7.417 64 H LYS 7 HN LYS 7 38.268 8.284 5.729 65 HA LYS 7 HA LYS 7 39.559 10.637 6.878 66 HB2 LYS 7 HB2 LYS 7 40.630 8.363 6.625 67 HB3 LYS 7 HB1 LYS 7 40.683 8.649 4.869 68 HG2 LYS 7 HG2 LYS 7 42.029 10.689 5.226 69 HG3 LYS 7 HG1 LYS 7 41.959 10.435 6.988 70 HD2 LYS 7 HD2 LYS 7 43.040 8.173 6.622 71 HD3 LYS 7 HD1 LYS 7 43.272 8.626 4.917 72 HE2 LYS 7 HE2 LYS 7 45.320 9.172 6.069 73 HE3 LYS 7 HE1 LYS 7 44.483 10.710 5.745 74 HZ1 LYS 7 HZ1 LYS 7 45.147 9.497 8.248 75 HZ2 LYS 7 HZ2 LYS 7 43.490 9.859 8.156 76 HZ3 LYS 7 HZ3 LYS 7 44.643 11.083 7.916 77 H GLY 8 HN GLY 8 38.974 12.555 6.000 78 HA2 GLY 8 HA1 GLY 8 38.455 12.898 3.181 79 HA3 GLY 8 HA2 GLY 8 38.666 14.186 4.383 80 H VAL 9 HN VAL 9 39.790 13.182 1.532 81 HA VAL 9 HA VAL 9 42.660 13.215 1.983 82 HB VAL 9 HB VAL 9 41.072 13.708 -0.578 83 HG11 VAL 9 HG11 VAL 9 44.015 13.151 -0.012 84 HG12 VAL 9 HG12 VAL 9 43.319 14.563 -0.845 85 HG13 VAL 9 HG13 VAL 9 43.278 12.963 -1.621 86 HG21 VAL 9 HG21 VAL 9 41.588 11.331 -1.034 87 HG22 VAL 9 HG22 VAL 9 40.648 11.496 0.467 88 HG23 VAL 9 HG23 VAL 9 42.401 11.200 0.544 89 H LYS 10 HN LYS 10 41.184 15.464 -0.334 90 HA LYS 10 HA LYS 10 41.615 17.838 1.245 91 HB2 LYS 10 HB2 LYS 10 43.999 17.192 0.919 92 HB3 LYS 10 HB1 LYS 10 43.751 17.246 -0.842 93 HG2 LYS 10 HG2 LYS 10 43.238 19.607 -0.775 94 HG3 LYS 10 HG1 LYS 10 43.190 19.603 1.004 95 HD2 LYS 10 HD2 LYS 10 45.584 19.056 1.098 96 HD3 LYS 10 HD1 LYS 10 45.653 18.963 -0.678 97 HE2 LYS 10 HE2 LYS 10 46.479 21.151 0.048 98 HE3 LYS 10 HE1 LYS 10 44.924 21.359 -0.793 99 HZ1 LYS 10 HZ1 LYS 10 43.863 21.910 1.119 100 HZ2 LYS 10 HZ2 LYS 10 45.416 22.439 1.560 101 HZ3 LYS 10 HZ3 LYS 10 44.841 20.934 2.101 102 H ILE 11 HN ILE 11 41.212 16.204 -1.840 103 HA ILE 11 HA ILE 11 39.812 18.664 -2.909 104 HB ILE 11 HB ILE 11 41.159 16.534 -4.616 105 HG12 ILE 11 HG12 ILE 11 42.281 19.183 -3.593 106 HG13 ILE 11 HG11 ILE 11 42.896 17.557 -3.216 107 HG21 ILE 11 HG21 ILE 11 39.332 18.115 -5.521 108 HG22 ILE 11 HG22 ILE 11 40.881 18.116 -6.393 109 HG23 ILE 11 HG23 ILE 11 40.496 19.437 -5.263 110 HD11 ILE 11 HD1 ILE 11 42.987 19.046 -5.861 111 HD12 ILE 11 HD2 ILE 11 43.179 17.277 -5.788 112 HD13 ILE 11 HD3 ILE 11 44.332 18.335 -4.941 113 H ILE 12 HN ILE 12 40.064 15.088 -3.207 114 HA ILE 12 HA ILE 12 37.311 14.947 -4.266 115 HB ILE 12 HB ILE 12 39.241 12.770 -3.390 116 HG12 ILE 12 HG12 ILE 12 40.264 14.070 -5.166 117 HG13 ILE 12 HG11 ILE 12 39.719 12.528 -5.857 118 HG21 ILE 12 HG21 ILE 12 37.214 11.619 -3.521 119 HG22 ILE 12 HG22 ILE 12 37.699 11.514 -5.226 120 HG23 ILE 12 HG23 ILE 12 36.515 12.739 -4.710 121 HD11 ILE 12 HD1 ILE 12 38.991 14.101 -7.456 122 HD12 ILE 12 HD2 ILE 12 38.549 15.303 -6.224 123 HD13 ILE 12 HD3 ILE 12 37.531 13.865 -6.471 124 H GLY 13 HN GLY 13 38.337 12.468 -2.003 125 HA2 GLY 13 HA1 GLY 13 35.981 12.555 -0.446 126 HA3 GLY 13 HA2 GLY 13 37.544 11.911 0.105 127 H GLY 14 HN GLY 14 38.455 14.705 -0.828 128 HA2 GLY 14 HA1 GLY 14 38.431 15.945 1.835 129 HA3 GLY 14 HA2 GLY 14 39.252 16.546 0.376 130 H ALA 15 HN ALA 15 37.249 16.763 -1.505 131 HA ALA 15 HA ALA 15 35.671 19.014 -0.310 132 HB1 ALA 15 HB1 ALA 15 36.789 19.178 -2.581 133 HB2 ALA 15 HB2 ALA 15 35.054 19.561 -2.557 134 HB3 ALA 15 HB3 ALA 15 35.604 17.984 -3.166 135 H ALA 16 HN ALA 16 35.308 16.214 0.469 136 HA ALA 16 HA ALA 16 33.480 14.968 1.135 137 HB1 ALA 16 HB1 ALA 16 31.298 15.787 0.987 138 HB2 ALA 16 HB2 ALA 16 31.574 16.553 -0.595 139 HB3 ALA 16 HB3 ALA 16 32.252 17.283 0.879 140 H LEU 17 HN LEU 17 35.188 14.219 -0.970 141 HA LEU 17 HA LEU 17 35.244 12.657 -2.695 142 HB2 LEU 17 HB2 LEU 17 33.614 11.520 -1.016 143 HB3 LEU 17 HB1 LEU 17 32.330 12.022 -2.135 144 HG LEU 17 HG LEU 17 33.943 10.891 -3.972 145 HD11 LEU 17 HD11 LEU 17 34.576 9.202 -1.515 146 HD12 LEU 17 HD12 LEU 17 35.697 10.431 -2.142 147 HD13 LEU 17 HD13 LEU 17 35.239 9.045 -3.158 148 HD21 LEU 17 HD21 LEU 17 32.740 8.705 -3.560 149 HD22 LEU 17 HD22 LEU 17 31.668 10.126 -3.568 150 HD23 LEU 17 HD23 LEU 17 32.145 9.377 -2.024 151 H ASP 18 HN ASP 18 34.774 15.280 -3.455 152 HA ASP 18 HA ASP 18 33.990 16.542 -5.236 153 HB2 ASP 18 HB2 ASP 18 35.150 14.675 -6.452 154 HB3 ASP 18 HB1 ASP 18 33.582 13.839 -6.573 155 H HIS 19 HN HIS 19 32.087 16.217 -3.294 156 HA HIS 19 HA HIS 19 29.793 16.263 -2.927 157 HB2 HIS 19 HB2 HIS 19 29.792 17.109 -5.853 158 HB3 HIS 19 HB1 HIS 19 28.456 17.344 -4.701 159 HD1 HIS 19 HD1 HIS 19 28.763 19.102 -2.799 160 HD2 HIS 19 HD2 HIS 19 31.945 18.916 -5.541 161 HE1 HIS 19 HE1 HIS 19 30.248 21.140 -2.382 162 H LEU 20 HN LEU 20 30.523 13.718 -3.163 163 HA LEU 20 HA LEU 20 29.812 11.594 -3.788 164 HB2 LEU 20 HB2 LEU 20 27.258 13.234 -3.888 165 HB3 LEU 20 HB1 LEU 20 27.246 11.488 -4.228 166 HG LEU 20 HG LEU 20 28.182 10.994 -2.032 167 HD11 LEU 20 HD11 LEU 20 29.693 12.793 -1.618 168 HD12 LEU 20 HD12 LEU 20 28.421 12.987 -0.392 169 HD13 LEU 20 HD13 LEU 20 28.427 14.022 -1.840 170 HD21 LEU 20 HD21 LEU 20 25.701 11.412 -2.283 171 HD22 LEU 20 HD22 LEU 20 25.976 13.079 -1.726 172 HD23 LEU 20 HD23 LEU 20 26.316 11.710 -0.640 Start of MODEL 72 1 H1 TRP 1 HT1 TRP 1 41.167 3.880 14.665 2 H2 TRP 1 HT2 TRP 1 40.209 5.283 14.709 3 H3 TRP 1 HT3 TRP 1 41.486 5.085 15.814 4 HA TRP 1 HA TRP 1 42.525 6.423 14.389 5 HB2 TRP 1 HB2 TRP 1 42.760 3.701 13.046 6 HB3 TRP 1 HB1 TRP 1 43.855 5.078 12.784 7 HD1 TRP 1 HD1 TRP 1 43.084 2.281 15.184 8 HE1 TRP 1 HE1 TRP 1 44.784 2.277 17.153 9 HE3 TRP 1 HE3 TRP 1 45.362 6.779 14.292 10 HZ2 TRP 1 HZ2 TRP 1 46.844 4.011 18.174 11 HZ3 TRP 1 HZ3 TRP 1 47.192 7.584 15.777 12 HH2 TRP 1 HH2 TRP 1 47.934 6.206 17.714 13 H LEU 2 HN LEU 2 40.037 7.070 13.826 14 HA LEU 2 HA LEU 2 38.708 7.993 12.173 15 HB2 LEU 2 HB2 LEU 2 40.946 7.446 10.198 16 HB3 LEU 2 HB1 LEU 2 39.701 8.713 10.132 17 HG LEU 2 HG LEU 2 41.984 8.503 12.147 18 HD11 LEU 2 HD11 LEU 2 42.651 9.348 9.941 19 HD12 LEU 2 HD12 LEU 2 42.645 10.679 11.120 20 HD13 LEU 2 HD13 LEU 2 41.308 10.515 9.958 21 HD21 LEU 2 HD21 LEU 2 40.150 9.382 13.397 22 HD22 LEU 2 HD22 LEU 2 39.538 10.315 12.010 23 HD23 LEU 2 HD23 LEU 2 41.029 10.823 12.840 24 H ARG 3 HN ARG 3 39.816 4.811 12.059 25 HA ARG 3 HA ARG 3 38.878 2.892 11.201 26 HB2 ARG 3 HB2 ARG 3 36.728 4.156 11.868 27 HB3 ARG 3 HB1 ARG 3 36.559 4.541 10.141 28 HG2 ARG 3 HG2 ARG 3 36.562 2.151 9.570 29 HG3 ARG 3 HG1 ARG 3 36.828 1.721 11.277 30 HD2 ARG 3 HD2 ARG 3 34.429 1.521 10.623 31 HD3 ARG 3 HD1 ARG 3 34.676 2.739 11.896 32 HE ARG 3 HE ARG 3 34.775 3.945 9.262 33 HH11 ARG 3 HH11 ARG 3 33.042 3.543 12.134 34 HH12 ARG 3 HH12 ARG 3 31.535 4.117 11.500 35 HH21 ARG 3 HH21 ARG 3 32.679 4.308 8.232 36 HH22 ARG 3 HH22 ARG 3 31.330 4.549 9.290 37 H ARG 4 HN ARG 4 39.540 5.616 9.214 38 HA ARG 4 HA ARG 4 39.878 3.780 6.862 39 HB2 ARG 4 HB2 ARG 4 38.650 6.562 6.712 40 HB3 ARG 4 HB1 ARG 4 38.932 5.442 5.358 41 HG2 ARG 4 HG2 ARG 4 37.430 3.773 6.542 42 HG3 ARG 4 HG1 ARG 4 37.028 5.059 7.705 43 HD2 ARG 4 HD2 ARG 4 36.161 6.474 5.898 44 HD3 ARG 4 HD1 ARG 4 36.645 5.264 4.685 45 HE ARG 4 HE ARG 4 34.967 3.895 6.465 46 HH11 ARG 4 HH11 ARG 4 34.499 4.614 3.486 47 HH12 ARG 4 HH12 ARG 4 32.949 5.380 3.595 48 HH21 ARG 4 HH21 ARG 4 33.093 5.778 7.037 49 HH22 ARG 4 HH22 ARG 4 32.153 6.038 5.605 50 H ILE 5 HN ILE 5 41.169 5.973 9.022 51 HA ILE 5 HA ILE 5 43.171 7.132 9.064 52 HB ILE 5 HB ILE 5 43.943 5.653 6.515 53 HG12 ILE 5 HG12 ILE 5 44.047 4.704 9.414 54 HG13 ILE 5 HG11 ILE 5 43.015 4.033 8.130 55 HG21 ILE 5 HG21 ILE 5 45.646 6.461 8.905 56 HG22 ILE 5 HG22 ILE 5 45.389 7.538 7.511 57 HG23 ILE 5 HG23 ILE 5 46.189 5.966 7.285 58 HD11 ILE 5 HD1 ILE 5 46.036 3.890 8.400 59 HD12 ILE 5 HD2 ILE 5 45.236 3.628 6.830 60 HD13 ILE 5 HD3 ILE 5 44.874 2.558 8.205 61 H GLY 6 HN GLY 6 42.949 6.755 5.498 62 HA2 GLY 6 HA1 GLY 6 43.377 9.626 5.161 63 HA3 GLY 6 HA2 GLY 6 43.133 8.422 3.880 64 H LYS 7 HN LYS 7 41.175 9.568 6.666 65 HA LYS 7 HA LYS 7 38.673 9.266 5.415 66 HB2 LYS 7 HB2 LYS 7 39.185 9.813 7.862 67 HB3 LYS 7 HB1 LYS 7 39.361 11.504 7.353 68 HG2 LYS 7 HG2 LYS 7 37.094 11.469 7.957 69 HG3 LYS 7 HG1 LYS 7 36.978 11.116 6.220 70 HD2 LYS 7 HD2 LYS 7 36.786 8.713 6.680 71 HD3 LYS 7 HD1 LYS 7 37.055 8.993 8.417 72 HE2 LYS 7 HE2 LYS 7 34.985 10.233 8.610 73 HE3 LYS 7 HE1 LYS 7 34.754 10.221 6.845 74 HZ1 LYS 7 HZ1 LYS 7 34.034 8.250 8.751 75 HZ2 LYS 7 HZ2 LYS 7 35.106 7.580 7.616 76 HZ3 LYS 7 HZ3 LYS 7 33.667 8.320 7.097 77 H GLY 8 HN GLY 8 40.025 12.529 6.036 78 HA2 GLY 8 HA1 GLY 8 38.641 13.514 3.607 79 HA3 GLY 8 HA2 GLY 8 39.443 14.487 4.855 80 H VAL 9 HN VAL 9 39.627 13.338 1.707 81 HA VAL 9 HA VAL 9 42.463 12.961 1.441 82 HB VAL 9 HB VAL 9 40.466 13.915 -0.664 83 HG11 VAL 9 HG11 VAL 9 42.756 14.293 -1.401 84 HG12 VAL 9 HG12 VAL 9 42.157 12.826 -2.210 85 HG13 VAL 9 HG13 VAL 9 43.255 12.689 -0.816 86 HG21 VAL 9 HG21 VAL 9 41.465 11.104 -0.039 87 HG22 VAL 9 HG22 VAL 9 40.226 11.566 -1.232 88 HG23 VAL 9 HG23 VAL 9 39.897 11.748 0.508 89 H LYS 10 HN LYS 10 41.078 15.542 -0.514 90 HA LYS 10 HA LYS 10 42.150 17.743 1.007 91 HB2 LYS 10 HB2 LYS 10 44.287 16.600 0.263 92 HB3 LYS 10 HB1 LYS 10 43.806 16.941 -1.415 93 HG2 LYS 10 HG2 LYS 10 43.723 19.358 -0.914 94 HG3 LYS 10 HG1 LYS 10 44.175 19.031 0.777 95 HD2 LYS 10 HD2 LYS 10 46.275 17.910 -0.091 96 HD3 LYS 10 HD1 LYS 10 45.846 18.505 -1.713 97 HE2 LYS 10 HE2 LYS 10 47.421 20.054 -0.604 98 HE3 LYS 10 HE1 LYS 10 45.840 20.834 -0.853 99 HZ1 LYS 10 HZ1 LYS 10 46.869 21.104 1.416 100 HZ2 LYS 10 HZ2 LYS 10 46.570 19.452 1.673 101 HZ3 LYS 10 HZ3 LYS 10 45.277 20.519 1.398 102 H ILE 11 HN ILE 11 40.920 16.277 -1.902 103 HA ILE 11 HA ILE 11 39.762 18.934 -2.722 104 HB ILE 11 HB ILE 11 40.777 16.854 -4.699 105 HG12 ILE 11 HG12 ILE 11 42.168 19.356 -3.633 106 HG13 ILE 11 HG11 ILE 11 42.705 17.673 -3.419 107 HG21 ILE 11 HG21 ILE 11 38.981 18.600 -5.316 108 HG22 ILE 11 HG22 ILE 11 40.438 18.577 -6.335 109 HG23 ILE 11 HG23 ILE 11 40.246 19.831 -5.086 110 HD11 ILE 11 HD1 ILE 11 44.018 18.472 -5.229 111 HD12 ILE 11 HD2 ILE 11 42.645 19.332 -5.962 112 HD13 ILE 11 HD3 ILE 11 42.717 17.554 -6.022 113 H ILE 12 HN ILE 12 39.706 15.375 -3.066 114 HA ILE 12 HA ILE 12 36.859 15.465 -3.925 115 HB ILE 12 HB ILE 12 38.779 13.160 -3.421 116 HG12 ILE 12 HG12 ILE 12 37.817 14.032 -6.176 117 HG13 ILE 12 HG11 ILE 12 39.156 14.911 -5.404 118 HG21 ILE 12 HG21 ILE 12 36.679 12.111 -3.276 119 HG22 ILE 12 HG22 ILE 12 36.932 12.030 -5.031 120 HG23 ILE 12 HG23 ILE 12 35.889 13.295 -4.343 121 HD11 ILE 12 HD1 ILE 12 39.188 11.878 -5.620 122 HD12 ILE 12 HD2 ILE 12 40.547 12.990 -5.345 123 HD13 ILE 12 HD3 ILE 12 39.769 12.916 -6.942 124 H GLY 13 HN GLY 13 38.074 12.851 -1.901 125 HA2 GLY 13 HA1 GLY 13 35.906 12.978 -0.060 126 HA3 GLY 13 HA2 GLY 13 37.470 12.186 0.237 127 H GLY 14 HN GLY 14 38.396 15.008 -0.707 128 HA2 GLY 14 HA1 GLY 14 38.840 16.078 2.008 129 HA3 GLY 14 HA2 GLY 14 39.510 16.698 0.482 130 H ALA 15 HN ALA 15 37.310 17.129 -1.105 131 HA ALA 15 HA ALA 15 36.059 19.426 0.359 132 HB1 ALA 15 HB1 ALA 15 36.928 19.589 -2.034 133 HB2 ALA 15 HB2 ALA 15 35.255 20.135 -1.775 134 HB3 ALA 15 HB3 ALA 15 35.566 18.543 -2.506 135 H ALA 16 HN ALA 16 35.602 16.611 1.047 136 HA ALA 16 HA ALA 16 33.797 15.414 1.845 137 HB1 ALA 16 HB1 ALA 16 31.677 16.381 2.055 138 HB2 ALA 16 HB2 ALA 16 31.812 17.279 0.524 139 HB3 ALA 16 HB3 ALA 16 32.726 17.814 1.955 140 H LEU 17 HN LEU 17 35.129 14.600 -0.392 141 HA LEU 17 HA LEU 17 34.864 13.137 -2.176 142 HB2 LEU 17 HB2 LEU 17 31.898 13.002 -1.519 143 HB3 LEU 17 HB1 LEU 17 32.867 11.809 -2.400 144 HG LEU 17 HG LEU 17 33.635 12.526 0.455 145 HD11 LEU 17 HD11 LEU 17 31.221 12.010 0.548 146 HD12 LEU 17 HD12 LEU 17 32.180 10.696 1.272 147 HD13 LEU 17 HD13 LEU 17 31.501 10.507 -0.363 148 HD21 LEU 17 HD21 LEU 17 34.618 10.333 0.451 149 HD22 LEU 17 HD22 LEU 17 35.046 11.051 -1.119 150 HD23 LEU 17 HD23 LEU 17 33.733 9.858 -1.016 151 H ASP 18 HN ASP 18 34.622 15.997 -2.517 152 HA ASP 18 HA ASP 18 34.071 17.515 -4.172 153 HB2 ASP 18 HB2 ASP 18 35.143 15.797 -5.605 154 HB3 ASP 18 HB1 ASP 18 33.560 15.020 -5.838 155 H HIS 19 HN HIS 19 31.833 14.946 -5.252 156 HA HIS 19 HA HIS 19 29.510 16.524 -4.233 157 HB2 HIS 19 HB2 HIS 19 28.419 16.504 -6.438 158 HB3 HIS 19 HB1 HIS 19 29.951 17.409 -6.506 159 HD1 HIS 19 HD1 HIS 19 32.101 15.489 -6.989 160 HD2 HIS 19 HD2 HIS 19 28.304 14.958 -8.715 161 HE1 HIS 19 HE1 HIS 19 32.382 13.908 -8.977 162 H LEU 20 HN LEU 20 30.317 14.223 -3.101 163 HA LEU 20 HA LEU 20 29.647 12.064 -2.606 164 HB2 LEU 20 HB2 LEU 20 27.428 13.523 -2.625 165 HB3 LEU 20 HB1 LEU 20 27.030 12.551 -4.058 166 HG LEU 20 HG LEU 20 27.681 11.510 -1.262 167 HD11 LEU 20 HD11 LEU 20 25.149 11.330 -2.955 168 HD12 LEU 20 HD12 LEU 20 25.399 12.484 -1.623 169 HD13 LEU 20 HD13 LEU 20 25.358 10.736 -1.291 170 HD21 LEU 20 HD21 LEU 20 28.605 9.900 -2.769 171 HD22 LEU 20 HD22 LEU 20 27.267 10.094 -3.928 172 HD23 LEU 20 HD23 LEU 20 26.990 9.273 -2.373 Start of MODEL 73 1 H1 TRP 1 HT1 TRP 1 53.082 0.146 -0.260 2 H2 TRP 1 HT2 TRP 1 51.714 0.369 0.722 3 H3 TRP 1 HT3 TRP 1 53.208 1.038 1.177 4 HA TRP 1 HA TRP 1 52.952 2.135 -1.193 5 HB2 TRP 1 HB2 TRP 1 50.135 1.867 -0.071 6 HB3 TRP 1 HB1 TRP 1 50.616 2.844 -1.479 7 HD1 TRP 1 HD1 TRP 1 49.649 -0.619 -0.466 8 HE1 TRP 1 HE1 TRP 1 49.797 -2.251 -2.486 9 HE3 TRP 1 HE3 TRP 1 52.144 2.401 -3.763 10 HZ2 TRP 1 HZ2 TRP 1 50.862 -2.217 -5.160 11 HZ3 TRP 1 HZ3 TRP 1 52.717 1.579 -6.042 12 HH2 TRP 1 HH2 TRP 1 52.079 -0.724 -6.744 13 H LEU 2 HN LEU 2 52.005 4.473 -1.023 14 HA LEU 2 HA LEU 2 53.182 5.616 1.395 15 HB2 LEU 2 HB2 LEU 2 51.537 7.108 -0.675 16 HB3 LEU 2 HB1 LEU 2 52.859 7.722 0.345 17 HG LEU 2 HG LEU 2 53.119 5.680 -1.909 18 HD11 LEU 2 HD11 LEU 2 54.244 8.502 -1.670 19 HD12 LEU 2 HD12 LEU 2 52.738 8.111 -2.536 20 HD13 LEU 2 HD13 LEU 2 54.289 7.437 -3.096 21 HD21 LEU 2 HD21 LEU 2 55.103 6.809 0.111 22 HD22 LEU 2 HD22 LEU 2 55.627 6.121 -1.444 23 HD23 LEU 2 HD23 LEU 2 54.767 5.103 -0.268 24 H ARG 3 HN ARG 3 50.083 4.479 0.493 25 HA ARG 3 HA ARG 3 48.119 4.389 1.710 26 HB2 ARG 3 HB2 ARG 3 49.778 4.487 3.740 27 HB3 ARG 3 HB1 ARG 3 49.262 6.184 3.879 28 HG2 ARG 3 HG2 ARG 3 46.862 5.370 3.901 29 HG3 ARG 3 HG1 ARG 3 47.491 3.707 3.999 30 HD2 ARG 3 HD2 ARG 3 48.064 5.953 5.984 31 HD3 ARG 3 HD1 ARG 3 46.967 4.578 6.254 32 HE ARG 3 HE ARG 3 49.428 3.422 5.588 33 HH11 ARG 3 HH11 ARG 3 49.386 2.268 7.844 34 HH12 ARG 3 HH12 ARG 3 50.000 3.285 9.105 35 HH21 ARG 3 HH21 ARG 3 49.718 6.202 7.251 36 HH22 ARG 3 HH22 ARG 3 50.189 5.512 8.769 37 H ARG 4 HN ARG 4 49.763 7.369 1.011 38 HA ARG 4 HA ARG 4 47.261 8.973 1.251 39 HB2 ARG 4 HB2 ARG 4 50.027 9.825 0.307 40 HB3 ARG 4 HB1 ARG 4 48.684 10.877 0.806 41 HG2 ARG 4 HG2 ARG 4 50.162 8.899 2.596 42 HG3 ARG 4 HG1 ARG 4 50.343 10.667 2.622 43 HD2 ARG 4 HD2 ARG 4 47.734 10.676 3.005 44 HD3 ARG 4 HD1 ARG 4 47.982 8.982 3.500 45 HE ARG 4 HE ARG 4 48.967 9.797 5.479 46 HH11 ARG 4 HH11 ARG 4 51.209 11.158 5.379 47 HH12 ARG 4 HH12 ARG 4 50.867 12.855 5.349 48 HH21 ARG 4 HH21 ARG 4 47.553 12.440 4.414 49 HH22 ARG 4 HH22 ARG 4 48.797 13.581 4.802 50 H ILE 5 HN ILE 5 49.034 7.081 -0.984 51 HA ILE 5 HA ILE 5 48.873 6.809 -3.280 52 HB ILE 5 HB ILE 5 46.104 8.070 -3.083 53 HG12 ILE 5 HG12 ILE 5 46.969 5.238 -2.328 54 HG13 ILE 5 HG11 ILE 5 46.370 6.481 -1.205 55 HG21 ILE 5 HG21 ILE 5 47.035 5.666 -4.706 56 HG22 ILE 5 HG22 ILE 5 47.189 7.329 -5.318 57 HG23 ILE 5 HG23 ILE 5 45.582 6.666 -4.944 58 HD11 ILE 5 HD1 ILE 5 44.468 5.132 -1.666 59 HD12 ILE 5 HD2 ILE 5 44.850 5.033 -3.400 60 HD13 ILE 5 HD3 ILE 5 44.255 6.560 -2.704 61 H GLY 6 HN GLY 6 50.384 8.911 -2.779 62 HA2 GLY 6 HA1 GLY 6 51.087 10.982 -3.546 63 HA3 GLY 6 HA2 GLY 6 50.372 10.454 -5.082 64 H LYS 7 HN LYS 7 48.252 10.757 -2.344 65 HA LYS 7 HA LYS 7 47.617 13.557 -2.690 66 HB2 LYS 7 HB2 LYS 7 46.753 12.381 -4.870 67 HB3 LYS 7 HB1 LYS 7 45.468 11.737 -3.827 68 HG2 LYS 7 HG2 LYS 7 44.459 13.727 -4.553 69 HG3 LYS 7 HG1 LYS 7 45.232 14.286 -3.056 70 HD2 LYS 7 HD2 LYS 7 45.959 15.941 -4.547 71 HD3 LYS 7 HD1 LYS 7 47.306 14.789 -4.677 72 HE2 LYS 7 HE2 LYS 7 46.705 15.356 -6.928 73 HE3 LYS 7 HE1 LYS 7 46.023 13.736 -6.648 74 HZ1 LYS 7 HZ1 LYS 7 44.674 16.083 -7.360 75 HZ2 LYS 7 HZ2 LYS 7 44.161 15.658 -5.797 76 HZ3 LYS 7 HZ3 LYS 7 44.022 14.544 -7.073 77 H GLY 8 HN GLY 8 44.627 12.699 -2.376 78 HA2 GLY 8 HA1 GLY 8 44.042 11.127 -0.241 79 HA3 GLY 8 HA2 GLY 8 44.786 12.520 0.569 80 H VAL 9 HN VAL 9 42.495 12.379 1.508 81 HA VAL 9 HA VAL 9 40.364 13.456 -0.203 82 HB VAL 9 HB VAL 9 39.051 13.539 1.901 83 HG11 VAL 9 HG11 VAL 9 40.666 10.967 1.607 84 HG12 VAL 9 HG12 VAL 9 39.270 11.415 0.599 85 HG13 VAL 9 HG13 VAL 9 39.053 11.121 2.341 86 HG21 VAL 9 HG21 VAL 9 40.766 14.188 3.489 87 HG22 VAL 9 HG22 VAL 9 41.725 12.733 3.127 88 HG23 VAL 9 HG23 VAL 9 40.166 12.584 3.974 89 H LYS 10 HN LYS 10 42.872 15.019 0.081 90 HA LYS 10 HA LYS 10 42.210 17.312 1.774 91 HB2 LYS 10 HB2 LYS 10 44.542 16.709 1.379 92 HB3 LYS 10 HB1 LYS 10 44.322 16.862 -0.376 93 HG2 LYS 10 HG2 LYS 10 45.459 18.845 0.634 94 HG3 LYS 10 HG1 LYS 10 43.932 19.276 -0.162 95 HD2 LYS 10 HD2 LYS 10 42.795 19.572 1.907 96 HD3 LYS 10 HD1 LYS 10 44.013 18.645 2.814 97 HE2 LYS 10 HE2 LYS 10 44.480 21.350 1.481 98 HE3 LYS 10 HE1 LYS 10 44.227 21.088 3.224 99 HZ1 LYS 10 HZ1 LYS 10 46.426 20.839 3.314 100 HZ2 LYS 10 HZ2 LYS 10 46.584 20.678 1.629 101 HZ3 LYS 10 HZ3 LYS 10 46.199 19.326 2.582 102 H ILE 11 HN ILE 11 41.380 16.224 -1.380 103 HA ILE 11 HA ILE 11 40.116 18.889 -1.971 104 HB ILE 11 HB ILE 11 41.499 17.198 -4.085 105 HG12 ILE 11 HG12 ILE 11 42.553 19.616 -2.545 106 HG13 ILE 11 HG11 ILE 11 43.215 17.965 -2.507 107 HG21 ILE 11 HG21 ILE 11 40.748 20.154 -4.125 108 HG22 ILE 11 HG22 ILE 11 39.627 18.879 -4.658 109 HG23 ILE 11 HG23 ILE 11 41.174 19.112 -5.502 110 HD11 ILE 11 HD1 ILE 11 44.621 19.114 -4.036 111 HD12 ILE 11 HD2 ILE 11 43.254 19.970 -4.788 112 HD13 ILE 11 HD3 ILE 11 43.490 18.229 -5.085 113 H ILE 12 HN ILE 12 40.352 15.397 -2.555 114 HA ILE 12 HA ILE 12 37.863 15.265 -4.073 115 HB ILE 12 HB ILE 12 39.448 13.149 -2.582 116 HG12 ILE 12 HG12 ILE 12 39.452 13.831 -5.562 117 HG13 ILE 12 HG11 ILE 12 40.671 14.417 -4.409 118 HG21 ILE 12 HG21 ILE 12 37.222 12.959 -4.664 119 HG22 ILE 12 HG22 ILE 12 37.209 12.316 -3.007 120 HG23 ILE 12 HG23 ILE 12 38.264 11.587 -4.231 121 HD11 ILE 12 HD1 ILE 12 40.235 11.619 -5.473 122 HD12 ILE 12 HD2 ILE 12 40.900 11.801 -3.832 123 HD13 ILE 12 HD3 ILE 12 41.752 12.509 -5.222 124 H GLY 13 HN GLY 13 38.449 13.226 -1.232 125 HA2 GLY 13 HA1 GLY 13 35.766 13.542 -0.246 126 HA3 GLY 13 HA2 GLY 13 37.149 12.881 0.655 127 H GLY 14 HN GLY 14 38.315 15.542 -0.599 128 HA2 GLY 14 HA1 GLY 14 38.034 17.120 1.889 129 HA3 GLY 14 HA2 GLY 14 39.071 17.486 0.491 130 H ALA 15 HN ALA 15 37.218 17.365 -1.604 131 HA ALA 15 HA ALA 15 35.714 19.897 -1.055 132 HB1 ALA 15 HB1 ALA 15 37.012 19.666 -3.169 133 HB2 ALA 15 HB2 ALA 15 35.274 19.891 -3.464 134 HB3 ALA 15 HB3 ALA 15 35.997 18.274 -3.618 135 H ALA 16 HN ALA 16 35.125 17.316 0.200 136 HA ALA 16 HA ALA 16 33.196 16.246 0.879 137 HB1 ALA 16 HB1 ALA 16 31.076 17.119 0.407 138 HB2 ALA 16 HB2 ALA 16 31.530 17.628 -1.237 139 HB3 ALA 16 HB3 ALA 16 32.118 18.542 0.173 140 H LEU 17 HN LEU 17 35.051 15.190 -1.009 141 HA LEU 17 HA LEU 17 35.171 13.409 -2.507 142 HB2 LEU 17 HB2 LEU 17 33.456 12.526 -0.750 143 HB3 LEU 17 HB1 LEU 17 32.231 12.857 -1.993 144 HG LEU 17 HG LEU 17 33.924 11.472 -3.562 145 HD11 LEU 17 HD11 LEU 17 35.167 9.763 -2.420 146 HD12 LEU 17 HD12 LEU 17 34.434 10.174 -0.851 147 HD13 LEU 17 HD13 LEU 17 35.591 11.289 -1.612 148 HD21 LEU 17 HD21 LEU 17 32.082 10.188 -1.492 149 HD22 LEU 17 HD22 LEU 17 32.675 9.394 -2.970 150 HD23 LEU 17 HD23 LEU 17 31.600 10.808 -3.088 151 H ASP 18 HN ASP 18 34.669 15.954 -3.568 152 HA ASP 18 HA ASP 18 34.077 16.931 -5.577 153 HB2 ASP 18 HB2 ASP 18 33.361 14.166 -6.607 154 HB3 ASP 18 HB1 ASP 18 33.959 15.572 -7.523 155 H HIS 19 HN HIS 19 31.938 15.460 -3.551 156 HA HIS 19 HA HIS 19 29.708 16.985 -4.572 157 HB2 HIS 19 HB2 HIS 19 29.783 15.001 -6.186 158 HB3 HIS 19 HB1 HIS 19 29.367 13.970 -4.798 159 HD1 HIS 19 HD1 HIS 19 27.836 15.879 -7.461 160 HD2 HIS 19 HD2 HIS 19 26.872 15.165 -3.433 161 HE1 HIS 19 HE1 HIS 19 25.344 16.366 -7.178 162 H LEU 20 HN LEU 20 30.077 13.792 -2.948 163 HA LEU 20 HA LEU 20 29.590 14.934 -0.324 164 HB2 LEU 20 HB2 LEU 20 27.304 15.141 -1.062 165 HB3 LEU 20 HB1 LEU 20 27.316 13.507 -1.758 166 HG LEU 20 HG LEU 20 27.426 12.488 0.440 167 HD11 LEU 20 HD11 LEU 20 28.911 13.890 1.673 168 HD12 LEU 20 HD12 LEU 20 27.345 14.072 2.494 169 HD13 LEU 20 HD13 LEU 20 27.920 15.340 1.383 170 HD21 LEU 20 HD21 LEU 20 25.454 14.818 0.446 171 HD22 LEU 20 HD22 LEU 20 25.329 13.354 1.451 172 HD23 LEU 20 HD23 LEU 20 25.192 13.233 -0.320 Start of MODEL 74 1 H1 TRP 1 HT1 TRP 1 34.131 3.493 5.972 2 H2 TRP 1 HT2 TRP 1 35.484 4.342 6.553 3 H3 TRP 1 HT3 TRP 1 35.435 2.645 6.646 4 HA TRP 1 HA TRP 1 35.333 2.566 4.206 5 HB2 TRP 1 HB2 TRP 1 36.118 5.493 4.474 6 HB3 TRP 1 HB1 TRP 1 35.924 4.568 2.966 7 HD1 TRP 1 HD1 TRP 1 33.435 3.849 2.278 8 HE1 TRP 1 HE1 TRP 1 31.108 4.860 2.852 9 HE3 TRP 1 HE3 TRP 1 34.769 6.707 6.312 10 HZ2 TRP 1 HZ2 TRP 1 30.010 6.665 4.809 11 HZ3 TRP 1 HZ3 TRP 1 33.066 8.066 7.516 12 HH2 TRP 1 HH2 TRP 1 30.690 8.048 6.770 13 H LEU 2 HN LEU 2 37.487 3.218 2.872 14 HA LEU 2 HA LEU 2 39.626 1.940 4.330 15 HB2 LEU 2 HB2 LEU 2 39.919 3.603 1.806 16 HB3 LEU 2 HB1 LEU 2 40.911 2.224 2.336 17 HG LEU 2 HG LEU 2 37.984 2.136 1.483 18 HD11 LEU 2 HD11 LEU 2 40.504 0.926 0.262 19 HD12 LEU 2 HD12 LEU 2 39.647 2.359 -0.356 20 HD13 LEU 2 HD13 LEU 2 38.850 0.767 -0.375 21 HD21 LEU 2 HD21 LEU 2 38.179 0.485 3.192 22 HD22 LEU 2 HD22 LEU 2 39.834 0.046 2.703 23 HD23 LEU 2 HD23 LEU 2 38.449 -0.418 1.686 24 H ARG 3 HN ARG 3 38.388 5.030 4.509 25 HA ARG 3 HA ARG 3 39.117 6.899 5.652 26 HB2 ARG 3 HB2 ARG 3 40.320 5.072 7.087 27 HB3 ARG 3 HB1 ARG 3 41.793 5.584 6.234 28 HG2 ARG 3 HG2 ARG 3 41.336 7.947 6.943 29 HG3 ARG 3 HG1 ARG 3 39.944 7.362 7.884 30 HD2 ARG 3 HD2 ARG 3 42.843 6.488 8.263 31 HD3 ARG 3 HD1 ARG 3 41.944 7.601 9.323 32 HE ARG 3 HE ARG 3 40.457 5.175 9.113 33 HH11 ARG 3 HH11 ARG 3 41.138 3.280 10.281 34 HH12 ARG 3 HH12 ARG 3 42.245 3.505 11.594 35 HH21 ARG 3 HH21 ARG 3 42.879 6.829 10.836 36 HH22 ARG 3 HH22 ARG 3 43.231 5.515 11.908 37 H ARG 4 HN ARG 4 42.187 5.579 4.302 38 HA ARG 4 HA ARG 4 43.277 8.005 3.473 39 HB2 ARG 4 HB2 ARG 4 44.499 5.877 3.380 40 HB3 ARG 4 HB1 ARG 4 43.435 5.298 2.083 41 HG2 ARG 4 HG2 ARG 4 45.625 6.131 1.217 42 HG3 ARG 4 HG1 ARG 4 44.253 7.053 0.568 43 HD2 ARG 4 HD2 ARG 4 46.359 8.352 1.472 44 HD3 ARG 4 HD1 ARG 4 44.737 8.949 1.892 45 HE ARG 4 HE ARG 4 45.802 7.058 3.855 46 HH11 ARG 4 HH11 ARG 4 45.686 10.318 2.735 47 HH12 ARG 4 HH12 ARG 4 46.085 11.000 4.276 48 HH21 ARG 4 HH21 ARG 4 46.337 7.932 5.870 49 HH22 ARG 4 HH22 ARG 4 46.452 9.651 6.050 50 H ILE 5 HN ILE 5 40.541 6.318 2.178 51 HA ILE 5 HA ILE 5 40.169 8.488 0.167 52 HB ILE 5 HB ILE 5 39.849 5.565 -0.645 53 HG12 ILE 5 HG12 ILE 5 42.200 7.465 -1.088 54 HG13 ILE 5 HG11 ILE 5 42.226 5.923 -0.201 55 HG21 ILE 5 HG21 ILE 5 40.157 8.060 -2.366 56 HG22 ILE 5 HG22 ILE 5 38.571 7.482 -1.803 57 HG23 ILE 5 HG23 ILE 5 39.570 6.453 -2.855 58 HD11 ILE 5 HD1 ILE 5 41.908 6.380 -3.186 59 HD12 ILE 5 HD2 ILE 5 41.410 4.848 -2.426 60 HD13 ILE 5 HD3 ILE 5 43.107 5.376 -2.338 61 H GLY 6 HN GLY 6 38.752 8.693 2.279 62 HA2 GLY 6 HA1 GLY 6 36.056 8.187 1.446 63 HA3 GLY 6 HA2 GLY 6 36.522 7.008 2.687 64 H LYS 7 HN LYS 7 38.230 8.595 4.248 65 HA LYS 7 HA LYS 7 36.257 10.000 5.838 66 HB2 LYS 7 HB2 LYS 7 38.284 8.838 6.756 67 HB3 LYS 7 HB1 LYS 7 39.291 10.117 6.037 68 HG2 LYS 7 HG2 LYS 7 38.138 11.826 7.368 69 HG3 LYS 7 HG1 LYS 7 37.036 10.596 8.035 70 HD2 LYS 7 HD2 LYS 7 38.908 9.442 9.112 71 HD3 LYS 7 HD1 LYS 7 40.068 10.568 8.366 72 HE2 LYS 7 HE2 LYS 7 37.821 11.437 10.232 73 HE3 LYS 7 HE1 LYS 7 39.489 11.124 10.766 74 HZ1 LYS 7 HZ1 LYS 7 39.830 12.752 8.632 75 HZ2 LYS 7 HZ2 LYS 7 39.816 13.260 10.253 76 HZ3 LYS 7 HZ3 LYS 7 38.406 13.372 9.313 77 H GLY 8 HN GLY 8 39.248 11.167 4.214 78 HA2 GLY 8 HA1 GLY 8 38.055 13.368 2.913 79 HA3 GLY 8 HA2 GLY 8 38.555 13.935 4.518 80 H VAL 9 HN VAL 9 39.516 13.201 1.314 81 HA VAL 9 HA VAL 9 42.350 12.832 1.848 82 HB VAL 9 HB VAL 9 40.926 13.697 -0.710 83 HG11 VAL 9 HG11 VAL 9 43.766 12.772 -0.107 84 HG12 VAL 9 HG12 VAL 9 43.257 14.297 -0.871 85 HG13 VAL 9 HG13 VAL 9 43.068 12.759 -1.745 86 HG21 VAL 9 HG21 VAL 9 41.133 11.326 -1.332 87 HG22 VAL 9 HG22 VAL 9 40.228 11.473 0.193 88 HG23 VAL 9 HG23 VAL 9 41.935 10.970 0.216 89 H LYS 10 HN LYS 10 41.107 15.426 -0.253 90 HA LYS 10 HA LYS 10 41.903 17.587 1.486 91 HB2 LYS 10 HB2 LYS 10 44.165 16.656 0.930 92 HB3 LYS 10 HB1 LYS 10 43.828 16.973 -0.789 93 HG2 LYS 10 HG2 LYS 10 43.574 19.364 -0.345 94 HG3 LYS 10 HG1 LYS 10 43.766 19.091 1.404 95 HD2 LYS 10 HD2 LYS 10 46.055 18.209 1.011 96 HD3 LYS 10 HD1 LYS 10 45.865 18.512 -0.734 97 HE2 LYS 10 HE2 LYS 10 45.738 20.622 1.466 98 HE3 LYS 10 HE1 LYS 10 47.095 20.366 0.345 99 HZ1 LYS 10 HZ1 LYS 10 44.312 21.080 -0.441 100 HZ2 LYS 10 HZ2 LYS 10 45.620 20.856 -1.501 101 HZ3 LYS 10 HZ3 LYS 10 45.629 22.149 -0.399 102 H ILE 11 HN ILE 11 41.206 16.289 -1.708 103 HA ILE 11 HA ILE 11 39.858 18.891 -2.412 104 HB ILE 11 HB ILE 11 41.304 17.086 -4.394 105 HG12 ILE 11 HG12 ILE 11 42.824 18.361 -2.703 106 HG13 ILE 11 HG11 ILE 11 43.161 18.560 -4.430 107 HG21 ILE 11 HG21 ILE 11 39.938 19.795 -4.596 108 HG22 ILE 11 HG22 ILE 11 39.517 18.286 -5.441 109 HG23 ILE 11 HG23 ILE 11 41.015 19.151 -5.857 110 HD11 ILE 11 HD1 ILE 11 43.188 20.707 -3.055 111 HD12 ILE 11 HD2 ILE 11 41.435 20.515 -2.849 112 HD13 ILE 11 HD3 ILE 11 42.120 20.734 -4.475 113 H ILE 12 HN ILE 12 40.220 15.426 -3.268 114 HA ILE 12 HA ILE 12 37.533 15.322 -4.419 115 HB ILE 12 HB ILE 12 39.404 13.109 -3.513 116 HG12 ILE 12 HG12 ILE 12 40.556 14.479 -5.142 117 HG13 ILE 12 HG11 ILE 12 40.055 12.983 -5.953 118 HG21 ILE 12 HG21 ILE 12 36.791 13.136 -5.050 119 HG22 ILE 12 HG22 ILE 12 37.380 11.979 -3.838 120 HG23 ILE 12 HG23 ILE 12 38.015 11.922 -5.497 121 HD11 ILE 12 HD1 ILE 12 38.925 15.783 -6.248 122 HD12 ILE 12 HD2 ILE 12 37.925 14.368 -6.652 123 HD13 ILE 12 HD3 ILE 12 39.453 14.651 -7.511 124 H GLY 13 HN GLY 13 38.434 12.748 -2.199 125 HA2 GLY 13 HA1 GLY 13 35.970 12.723 -0.821 126 HA3 GLY 13 HA2 GLY 13 37.501 12.084 -0.182 127 H GLY 14 HN GLY 14 38.427 14.921 -0.925 128 HA2 GLY 14 HA1 GLY 14 38.211 16.041 1.777 129 HA3 GLY 14 HA2 GLY 14 39.093 16.730 0.396 130 H ALA 15 HN ALA 15 37.176 16.968 -1.575 131 HA ALA 15 HA ALA 15 35.499 19.147 -0.393 132 HB1 ALA 15 HB1 ALA 15 36.666 19.449 -2.594 133 HB2 ALA 15 HB2 ALA 15 34.905 19.672 -2.682 134 HB3 ALA 15 HB3 ALA 15 35.637 18.162 -3.269 135 H ALA 16 HN ALA 16 35.167 16.327 0.319 136 HA ALA 16 HA ALA 16 33.349 15.019 0.883 137 HB1 ALA 16 HB1 ALA 16 31.154 15.790 0.664 138 HB2 ALA 16 HB2 ALA 16 31.475 16.605 -0.884 139 HB3 ALA 16 HB3 ALA 16 32.075 17.311 0.634 140 H LEU 17 HN LEU 17 35.169 14.464 -1.262 141 HA LEU 17 HA LEU 17 35.312 13.046 -3.106 142 HB2 LEU 17 HB2 LEU 17 33.769 11.773 -1.279 143 HB3 LEU 17 HB1 LEU 17 32.573 11.887 -2.585 144 HG LEU 17 HG LEU 17 35.380 10.709 -2.888 145 HD11 LEU 17 HD11 LEU 17 34.022 9.292 -1.438 146 HD12 LEU 17 HD12 LEU 17 34.125 8.536 -3.047 147 HD13 LEU 17 HD13 LEU 17 32.646 9.401 -2.561 148 HD21 LEU 17 HD21 LEU 17 32.944 10.798 -4.728 149 HD22 LEU 17 HD22 LEU 17 34.404 9.829 -5.034 150 HD23 LEU 17 HD23 LEU 17 34.508 11.604 -4.998 151 H ASP 18 HN ASP 18 34.479 15.594 -3.719 152 HA ASP 18 HA ASP 18 33.413 16.818 -5.376 153 HB2 ASP 18 HB2 ASP 18 33.114 14.139 -6.786 154 HB3 ASP 18 HB1 ASP 18 33.161 15.755 -7.531 155 H HIS 19 HN HIS 19 31.812 15.736 -3.193 156 HA HIS 19 HA HIS 19 29.579 15.576 -2.600 157 HB2 HIS 19 HB2 HIS 19 28.948 16.728 -5.339 158 HB3 HIS 19 HB1 HIS 19 27.989 16.859 -3.846 159 HD1 HIS 19 HD1 HIS 19 30.300 18.753 -5.843 160 HD2 HIS 19 HD2 HIS 19 29.644 18.290 -1.715 161 HE1 HIS 19 HE1 HIS 19 31.435 20.716 -4.666 162 H LEU 20 HN LEU 20 30.693 13.236 -3.546 163 HA LEU 20 HA LEU 20 28.303 11.798 -4.324 164 HB2 LEU 20 HB2 LEU 20 29.317 12.917 -6.511 165 HB3 LEU 20 HB1 LEU 20 30.488 11.586 -6.416 166 HG LEU 20 HG LEU 20 27.449 11.343 -6.572 167 HD11 LEU 20 HD11 LEU 20 29.693 10.514 -8.467 168 HD12 LEU 20 HD12 LEU 20 28.583 11.885 -8.704 169 HD13 LEU 20 HD13 LEU 20 27.958 10.218 -8.724 170 HD21 LEU 20 HD21 LEU 20 28.155 9.550 -5.154 171 HD22 LEU 20 HD22 LEU 20 29.642 9.281 -6.097 172 HD23 LEU 20 HD23 LEU 20 28.060 8.834 -6.778 Start of MODEL 75 1 H1 TRP 1 HT1 TRP 1 40.638 -0.892 1.217 2 H2 TRP 1 HT2 TRP 1 40.138 0.506 0.393 3 H3 TRP 1 HT3 TRP 1 38.988 -0.527 1.098 4 HA TRP 1 HA TRP 1 40.641 0.096 3.150 5 HB2 TRP 1 HB2 TRP 1 39.982 2.603 1.553 6 HB3 TRP 1 HB1 TRP 1 40.822 2.518 3.121 7 HD1 TRP 1 HD1 TRP 1 42.995 0.510 2.841 8 HE1 TRP 1 HE1 TRP 1 44.924 0.662 1.102 9 HE3 TRP 1 HE3 TRP 1 40.764 3.609 -0.567 10 HZ2 TRP 1 HZ2 TRP 1 45.399 1.965 -1.422 11 HZ3 TRP 1 HZ3 TRP 1 41.973 4.293 -2.635 12 HH2 TRP 1 HH2 TRP 1 44.286 3.476 -3.064 13 H LEU 2 HN LEU 2 39.443 0.984 4.900 14 HA LEU 2 HA LEU 2 36.590 0.458 4.677 15 HB2 LEU 2 HB2 LEU 2 37.999 1.838 6.981 16 HB3 LEU 2 HB1 LEU 2 36.508 0.867 7.022 17 HG LEU 2 HG LEU 2 39.326 -0.140 6.434 18 HD11 LEU 2 HD11 LEU 2 37.380 -0.809 8.685 19 HD12 LEU 2 HD12 LEU 2 38.721 0.351 8.832 20 HD13 LEU 2 HD13 LEU 2 39.061 -1.369 8.524 21 HD21 LEU 2 HD21 LEU 2 36.593 -1.475 6.252 22 HD22 LEU 2 HD22 LEU 2 38.077 -2.421 6.526 23 HD23 LEU 2 HD23 LEU 2 37.900 -1.457 5.044 24 H ARG 3 HN ARG 3 38.486 3.077 3.834 25 HA ARG 3 HA ARG 3 37.902 5.187 3.100 26 HB2 ARG 3 HB2 ARG 3 35.654 3.975 2.503 27 HB3 ARG 3 HB1 ARG 3 35.017 4.778 3.953 28 HG2 ARG 3 HG2 ARG 3 34.516 6.387 2.330 29 HG3 ARG 3 HG1 ARG 3 36.108 6.960 2.871 30 HD2 ARG 3 HD2 ARG 3 35.941 6.924 0.393 31 HD3 ARG 3 HD1 ARG 3 37.182 5.788 0.964 32 HE ARG 3 HE ARG 3 34.857 4.256 0.774 33 HH11 ARG 3 HH11 ARG 3 34.475 3.024 -1.088 34 HH12 ARG 3 HH12 ARG 3 35.047 3.597 -2.618 35 HH21 ARG 3 HH21 ARG 3 36.562 6.421 -1.295 36 HH22 ARG 3 HH22 ARG 3 36.228 5.521 -2.736 37 H ARG 4 HN ARG 4 36.544 4.086 6.185 38 HA ARG 4 HA ARG 4 36.352 6.745 7.324 39 HB2 ARG 4 HB2 ARG 4 36.617 4.056 8.731 40 HB3 ARG 4 HB1 ARG 4 36.021 5.575 9.442 41 HG2 ARG 4 HG2 ARG 4 34.172 5.597 7.750 42 HG3 ARG 4 HG1 ARG 4 34.736 4.016 7.158 43 HD2 ARG 4 HD2 ARG 4 33.747 4.658 9.971 44 HD3 ARG 4 HD1 ARG 4 32.912 3.666 8.751 45 HE ARG 4 HE ARG 4 35.517 2.568 9.221 46 HH11 ARG 4 HH11 ARG 4 32.702 1.261 9.293 47 HH12 ARG 4 HH12 ARG 4 32.698 0.639 10.910 48 HH21 ARG 4 HH21 ARG 4 35.415 2.534 11.932 49 HH22 ARG 4 HH22 ARG 4 34.232 1.360 12.403 50 H ILE 5 HN ILE 5 38.834 4.250 7.043 51 HA ILE 5 HA ILE 5 40.631 5.528 8.977 52 HB ILE 5 HB ILE 5 42.345 3.952 8.018 53 HG12 ILE 5 HG12 ILE 5 40.004 3.039 6.278 54 HG13 ILE 5 HG11 ILE 5 41.417 3.940 5.686 55 HG21 ILE 5 HG21 ILE 5 39.715 2.519 8.583 56 HG22 ILE 5 HG22 ILE 5 40.645 3.349 9.853 57 HG23 ILE 5 HG23 ILE 5 41.365 1.981 8.977 58 HD11 ILE 5 HD1 ILE 5 41.949 1.675 5.227 59 HD12 ILE 5 HD2 ILE 5 41.307 1.113 6.788 60 HD13 ILE 5 HD3 ILE 5 42.836 2.024 6.729 61 H GLY 6 HN GLY 6 39.995 5.728 5.524 62 HA2 GLY 6 HA1 GLY 6 42.474 7.105 4.879 63 HA3 GLY 6 HA2 GLY 6 41.032 6.966 3.852 64 H LYS 7 HN LYS 7 39.261 8.063 5.959 65 HA LYS 7 HA LYS 7 38.373 10.159 6.417 66 HB2 LYS 7 HB2 LYS 7 41.294 10.882 6.876 67 HB3 LYS 7 HB1 LYS 7 39.875 11.746 7.517 68 HG2 LYS 7 HG2 LYS 7 39.199 9.494 8.599 69 HG3 LYS 7 HG1 LYS 7 40.849 8.947 8.213 70 HD2 LYS 7 HD2 LYS 7 40.091 11.353 9.929 71 HD3 LYS 7 HD1 LYS 7 40.792 9.822 10.503 72 HE2 LYS 7 HE2 LYS 7 42.758 10.326 8.885 73 HE3 LYS 7 HE1 LYS 7 42.098 11.978 8.807 74 HZ1 LYS 7 HZ1 LYS 7 42.387 12.250 11.116 75 HZ2 LYS 7 HZ2 LYS 7 43.835 11.559 10.558 76 HZ3 LYS 7 HZ3 LYS 7 42.691 10.602 11.371 77 H GLY 8 HN GLY 8 38.680 12.645 5.948 78 HA2 GLY 8 HA1 GLY 8 38.397 13.007 3.174 79 HA3 GLY 8 HA2 GLY 8 38.756 14.299 4.335 80 H VAL 9 HN VAL 9 39.681 13.511 1.491 81 HA VAL 9 HA VAL 9 42.547 13.026 1.818 82 HB VAL 9 HB VAL 9 40.960 13.970 -0.614 83 HG11 VAL 9 HG11 VAL 9 43.005 13.032 -1.820 84 HG12 VAL 9 HG12 VAL 9 43.817 12.982 -0.237 85 HG13 VAL 9 HG13 VAL 9 43.289 14.539 -0.917 86 HG21 VAL 9 HG21 VAL 9 40.238 11.763 0.189 87 HG22 VAL 9 HG22 VAL 9 41.932 11.220 0.280 88 HG23 VAL 9 HG23 VAL 9 41.195 11.577 -1.300 89 H LYS 10 HN LYS 10 41.300 15.664 -0.203 90 HA LYS 10 HA LYS 10 42.143 17.799 1.539 91 HB2 LYS 10 HB2 LYS 10 44.390 16.900 1.029 92 HB3 LYS 10 HB1 LYS 10 44.068 17.078 -0.707 93 HG2 LYS 10 HG2 LYS 10 43.845 19.502 -0.469 94 HG3 LYS 10 HG1 LYS 10 43.998 19.372 1.299 95 HD2 LYS 10 HD2 LYS 10 46.281 18.322 0.928 96 HD3 LYS 10 HD1 LYS 10 46.118 18.741 -0.793 97 HE2 LYS 10 HE2 LYS 10 45.788 21.136 -0.146 98 HE3 LYS 10 HE1 LYS 10 46.063 20.687 1.554 99 HZ1 LYS 10 HZ1 LYS 10 47.962 21.142 -0.511 100 HZ2 LYS 10 HZ2 LYS 10 48.150 19.577 0.125 101 HZ3 LYS 10 HZ3 LYS 10 48.217 20.929 1.152 102 H ILE 11 HN ILE 11 41.267 16.503 -1.593 103 HA ILE 11 HA ILE 11 40.030 19.164 -2.283 104 HB ILE 11 HB ILE 11 41.201 17.301 -4.394 105 HG12 ILE 11 HG12 ILE 11 42.962 19.392 -4.431 106 HG13 ILE 11 HG11 ILE 11 42.585 19.394 -2.694 107 HG21 ILE 11 HG21 ILE 11 40.999 19.321 -5.799 108 HG22 ILE 11 HG22 ILE 11 40.407 20.248 -4.400 109 HG23 ILE 11 HG23 ILE 11 39.435 18.910 -5.059 110 HD11 ILE 11 HD1 ILE 11 43.822 17.186 -4.372 111 HD12 ILE 11 HD2 ILE 11 43.048 16.822 -2.813 112 HD13 ILE 11 HD3 ILE 11 44.441 17.930 -2.880 113 H ILE 12 HN ILE 12 40.164 15.656 -3.003 114 HA ILE 12 HA ILE 12 37.401 15.691 -4.040 115 HB ILE 12 HB ILE 12 39.308 13.412 -3.408 116 HG12 ILE 12 HG12 ILE 12 38.632 14.625 -6.133 117 HG13 ILE 12 HG11 ILE 12 40.041 15.127 -5.174 118 HG21 ILE 12 HG21 ILE 12 37.739 12.253 -5.192 119 HG22 ILE 12 HG22 ILE 12 36.590 13.542 -4.773 120 HG23 ILE 12 HG23 ILE 12 37.160 12.412 -3.524 121 HD11 ILE 12 HD1 ILE 12 41.029 13.492 -6.517 122 HD12 ILE 12 HD2 ILE 12 39.548 12.520 -6.624 123 HD13 ILE 12 HD3 ILE 12 40.534 12.479 -5.144 124 H GLY 13 HN GLY 13 38.494 13.056 -1.962 125 HA2 GLY 13 HA1 GLY 13 36.128 13.047 -0.373 126 HA3 GLY 13 HA2 GLY 13 37.680 12.301 0.075 127 H GLY 14 HN GLY 14 38.609 15.162 -0.691 128 HA2 GLY 14 HA1 GLY 14 38.757 16.173 2.069 129 HA3 GLY 14 HA2 GLY 14 39.519 16.876 0.623 130 H ALA 15 HN ALA 15 37.417 17.248 -1.124 131 HA ALA 15 HA ALA 15 35.946 19.438 0.302 132 HB1 ALA 15 HB1 ALA 15 35.758 18.592 -2.614 133 HB2 ALA 15 HB2 ALA 15 36.947 19.768 -1.995 134 HB3 ALA 15 HB3 ALA 15 35.206 20.118 -1.888 135 H ALA 16 HN ALA 16 35.571 16.633 0.956 136 HA ALA 16 HA ALA 16 33.789 15.302 1.562 137 HB1 ALA 16 HB1 ALA 16 31.607 16.158 1.632 138 HB2 ALA 16 HB2 ALA 16 31.827 17.134 0.161 139 HB3 ALA 16 HB3 ALA 16 32.598 17.633 1.684 140 H LEU 17 HN LEU 17 35.329 14.739 -0.688 141 HA LEU 17 HA LEU 17 35.238 13.338 -2.538 142 HB2 LEU 17 HB2 LEU 17 33.443 12.208 -0.981 143 HB3 LEU 17 HB1 LEU 17 32.267 12.896 -2.122 144 HG LEU 17 HG LEU 17 33.870 11.787 -3.964 145 HD11 LEU 17 HD11 LEU 17 35.608 11.035 -2.376 146 HD12 LEU 17 HD12 LEU 17 34.824 9.637 -3.143 147 HD13 LEU 17 HD13 LEU 17 34.397 10.094 -1.477 148 HD21 LEU 17 HD21 LEU 17 31.545 11.136 -3.707 149 HD22 LEU 17 HD22 LEU 17 31.905 10.265 -2.196 150 HD23 LEU 17 HD23 LEU 17 32.523 9.651 -3.748 151 H ASP 18 HN ASP 18 34.400 16.260 -2.538 152 HA ASP 18 HA ASP 18 33.684 17.815 -4.095 153 HB2 ASP 18 HB2 ASP 18 35.359 16.669 -5.499 154 HB3 ASP 18 HB1 ASP 18 34.119 15.514 -6.041 155 H HIS 19 HN HIS 19 32.379 14.998 -5.856 156 HA HIS 19 HA HIS 19 29.916 16.150 -6.493 157 HB2 HIS 19 HB2 HIS 19 30.822 13.974 -7.366 158 HB3 HIS 19 HB1 HIS 19 30.347 13.212 -5.829 159 HD1 HIS 19 HD1 HIS 19 28.265 11.902 -6.268 160 HD2 HIS 19 HD2 HIS 19 28.162 15.699 -8.071 161 HE1 HIS 19 HE1 HIS 19 25.969 12.166 -7.358 162 H LEU 20 HN LEU 20 30.951 14.695 -3.455 163 HA LEU 20 HA LEU 20 29.869 14.501 -1.417 164 HB2 LEU 20 HB2 LEU 20 29.670 17.056 -2.056 165 HB3 LEU 20 HB1 LEU 20 27.946 16.689 -2.270 166 HG LEU 20 HG LEU 20 29.569 16.149 0.262 167 HD11 LEU 20 HD11 LEU 20 28.287 18.014 1.219 168 HD12 LEU 20 HD12 LEU 20 27.426 18.241 -0.323 169 HD13 LEU 20 HD13 LEU 20 29.174 18.567 -0.222 170 HD21 LEU 20 HD21 LEU 20 27.817 14.543 0.240 171 HD22 LEU 20 HD22 LEU 20 26.670 15.665 -0.531 172 HD23 LEU 20 HD23 LEU 20 27.128 15.889 1.174 Start of MODEL 76 1 H1 TRP 1 HT1 TRP 1 47.586 8.906 14.970 2 H2 TRP 1 HT2 TRP 1 47.824 9.157 13.306 3 H3 TRP 1 HT3 TRP 1 47.262 7.656 13.873 4 HA TRP 1 HA TRP 1 45.316 8.924 14.810 5 HB2 TRP 1 HB2 TRP 1 46.271 10.902 12.705 6 HB3 TRP 1 HB1 TRP 1 44.809 11.027 13.713 7 HD1 TRP 1 HD1 TRP 1 48.646 11.125 13.972 8 HE1 TRP 1 HE1 TRP 1 49.331 12.374 16.148 9 HE3 TRP 1 HE3 TRP 1 44.004 11.748 16.039 10 HZ2 TRP 1 HZ2 TRP 1 48.012 13.481 18.456 11 HZ3 TRP 1 HZ3 TRP 1 43.741 12.904 18.229 12 HH2 TRP 1 HH2 TRP 1 45.740 13.770 19.438 13 H LEU 2 HN LEU 2 45.468 6.655 13.602 14 HA LEU 2 HA LEU 2 44.441 5.297 12.033 15 HB2 LEU 2 HB2 LEU 2 42.952 7.746 11.038 16 HB3 LEU 2 HB1 LEU 2 42.447 6.044 10.962 17 HG LEU 2 HG LEU 2 42.752 7.740 13.481 18 HD11 LEU 2 HD11 LEU 2 40.716 8.191 12.157 19 HD12 LEU 2 HD12 LEU 2 40.308 7.343 13.668 20 HD13 LEU 2 HD13 LEU 2 40.341 6.453 12.127 21 HD21 LEU 2 HD21 LEU 2 43.421 5.545 14.133 22 HD22 LEU 2 HD22 LEU 2 42.235 4.768 13.055 23 HD23 LEU 2 HD23 LEU 2 41.689 5.607 14.527 24 H ARG 3 HN ARG 3 46.363 7.925 11.187 25 HA ARG 3 HA ARG 3 47.739 8.310 9.380 26 HB2 ARG 3 HB2 ARG 3 46.827 5.669 8.195 27 HB3 ARG 3 HB1 ARG 3 48.353 6.535 7.919 28 HG2 ARG 3 HG2 ARG 3 48.842 6.259 10.406 29 HG3 ARG 3 HG1 ARG 3 47.444 5.161 10.480 30 HD2 ARG 3 HD2 ARG 3 48.486 3.759 8.691 31 HD3 ARG 3 HD1 ARG 3 49.912 4.824 8.720 32 HE ARG 3 HE ARG 3 49.418 2.700 10.571 33 HH11 ARG 3 HH11 ARG 3 52.032 4.184 10.138 34 HH12 ARG 3 HH12 ARG 3 52.271 4.913 11.692 35 HH21 ARG 3 HH21 ARG 3 48.997 4.421 12.720 36 HH22 ARG 3 HH22 ARG 3 50.552 5.046 13.153 37 H ARG 4 HN ARG 4 44.382 7.491 8.864 38 HA ARG 4 HA ARG 4 44.393 8.611 6.111 39 HB2 ARG 4 HB2 ARG 4 42.124 7.552 7.844 40 HB3 ARG 4 HB1 ARG 4 42.013 7.992 6.123 41 HG2 ARG 4 HG2 ARG 4 43.774 6.292 5.606 42 HG3 ARG 4 HG1 ARG 4 43.774 5.808 7.318 43 HD2 ARG 4 HD2 ARG 4 41.357 5.244 7.147 44 HD3 ARG 4 HD1 ARG 4 41.385 5.693 5.424 45 HE ARG 4 HE ARG 4 43.421 3.722 5.997 46 HH11 ARG 4 HH11 ARG 4 41.390 3.876 3.683 47 HH12 ARG 4 HH12 ARG 4 40.494 2.417 3.951 48 HH21 ARG 4 HH21 ARG 4 41.686 1.966 7.176 49 HH22 ARG 4 HH22 ARG 4 40.663 1.336 5.930 50 H ILE 5 HN ILE 5 43.388 9.412 9.416 51 HA ILE 5 HA ILE 5 42.641 11.405 10.327 52 HB ILE 5 HB ILE 5 43.686 12.792 7.823 53 HG12 ILE 5 HG12 ILE 5 45.222 11.853 10.293 54 HG13 ILE 5 HG11 ILE 5 45.401 11.204 8.646 55 HG21 ILE 5 HG21 ILE 5 43.724 13.702 10.731 56 HG22 ILE 5 HG22 ILE 5 42.355 14.039 9.645 57 HG23 ILE 5 HG23 ILE 5 43.967 14.685 9.268 58 HD11 ILE 5 HD1 ILE 5 46.172 13.949 9.690 59 HD12 ILE 5 HD2 ILE 5 45.938 13.657 7.949 60 HD13 ILE 5 HD3 ILE 5 47.184 12.757 8.846 61 H GLY 6 HN GLY 6 40.446 11.021 10.263 62 HA2 GLY 6 HA1 GLY 6 38.258 11.221 9.518 63 HA3 GLY 6 HA2 GLY 6 38.779 12.842 9.020 64 H LYS 7 HN LYS 7 40.396 10.191 7.509 65 HA LYS 7 HA LYS 7 40.411 9.525 5.284 66 HB2 LYS 7 HB2 LYS 7 37.402 9.788 5.660 67 HB3 LYS 7 HB1 LYS 7 38.201 8.938 4.315 68 HG2 LYS 7 HG2 LYS 7 39.155 7.299 5.783 69 HG3 LYS 7 HG1 LYS 7 38.746 8.251 7.231 70 HD2 LYS 7 HD2 LYS 7 37.168 6.369 6.944 71 HD3 LYS 7 HD1 LYS 7 36.332 7.929 6.764 72 HE2 LYS 7 HE2 LYS 7 37.435 6.492 4.325 73 HE3 LYS 7 HE1 LYS 7 35.855 6.039 5.008 74 HZ1 LYS 7 HZ1 LYS 7 35.977 8.831 4.880 75 HZ2 LYS 7 HZ2 LYS 7 34.970 7.781 4.003 76 HZ3 LYS 7 HZ3 LYS 7 36.482 8.236 3.375 77 H GLY 8 HN GLY 8 39.906 12.562 6.138 78 HA2 GLY 8 HA1 GLY 8 38.718 13.698 3.742 79 HA3 GLY 8 HA2 GLY 8 39.594 14.572 5.016 80 H VAL 9 HN VAL 9 39.678 13.336 1.832 81 HA VAL 9 HA VAL 9 42.500 13.016 1.487 82 HB VAL 9 HB VAL 9 40.437 13.927 -0.573 83 HG11 VAL 9 HG11 VAL 9 43.236 12.737 -0.783 84 HG12 VAL 9 HG12 VAL 9 42.689 14.315 -1.396 85 HG13 VAL 9 HG13 VAL 9 42.097 12.815 -2.146 86 HG21 VAL 9 HG21 VAL 9 40.179 11.577 -1.095 87 HG22 VAL 9 HG22 VAL 9 39.938 11.764 0.659 88 HG23 VAL 9 HG23 VAL 9 41.480 11.131 0.035 89 H LYS 10 HN LYS 10 41.046 15.556 -0.469 90 HA LYS 10 HA LYS 10 42.115 17.793 0.996 91 HB2 LYS 10 HB2 LYS 10 44.273 16.721 0.287 92 HB3 LYS 10 HB1 LYS 10 43.765 16.911 -1.407 93 HG2 LYS 10 HG2 LYS 10 43.645 19.344 -1.141 94 HG3 LYS 10 HG1 LYS 10 44.031 19.199 0.592 95 HD2 LYS 10 HD2 LYS 10 46.232 18.278 0.074 96 HD3 LYS 10 HD1 LYS 10 45.847 18.248 -1.664 97 HE2 LYS 10 HE2 LYS 10 47.182 20.227 -1.245 98 HE3 LYS 10 HE1 LYS 10 45.512 20.758 -1.547 99 HZ1 LYS 10 HZ1 LYS 10 45.167 20.846 0.859 100 HZ2 LYS 10 HZ2 LYS 10 46.433 21.871 0.378 101 HZ3 LYS 10 HZ3 LYS 10 46.778 20.384 1.123 102 H ILE 11 HN ILE 11 40.896 16.266 -1.890 103 HA ILE 11 HA ILE 11 39.647 18.878 -2.707 104 HB ILE 11 HB ILE 11 40.784 16.877 -4.700 105 HG12 ILE 11 HG12 ILE 11 42.027 19.441 -3.601 106 HG13 ILE 11 HG11 ILE 11 42.652 17.789 -3.392 107 HG21 ILE 11 HG21 ILE 11 40.366 18.598 -6.320 108 HG22 ILE 11 HG22 ILE 11 40.091 19.824 -5.059 109 HG23 ILE 11 HG23 ILE 11 38.900 18.528 -5.317 110 HD11 ILE 11 HD1 ILE 11 43.938 18.668 -5.185 111 HD12 ILE 11 HD2 ILE 11 42.529 19.461 -5.925 112 HD13 ILE 11 HD3 ILE 11 42.693 17.688 -5.996 113 H ILE 12 HN ILE 12 39.762 15.323 -3.093 114 HA ILE 12 HA ILE 12 36.941 15.289 -4.006 115 HB ILE 12 HB ILE 12 38.898 13.044 -3.392 116 HG12 ILE 12 HG12 ILE 12 38.051 14.154 -6.112 117 HG13 ILE 12 HG11 ILE 12 39.534 14.653 -5.270 118 HG21 ILE 12 HG21 ILE 12 36.107 13.111 -4.604 119 HG22 ILE 12 HG22 ILE 12 36.735 12.061 -3.314 120 HG23 ILE 12 HG23 ILE 12 37.231 11.791 -4.993 121 HD11 ILE 12 HD1 ILE 12 38.887 12.024 -6.610 122 HD12 ILE 12 HD2 ILE 12 39.944 11.979 -5.178 123 HD13 ILE 12 HD3 ILE 12 40.406 12.944 -6.596 124 H GLY 13 HN GLY 13 38.187 12.773 -1.873 125 HA2 GLY 13 HA1 GLY 13 35.938 12.911 -0.118 126 HA3 GLY 13 HA2 GLY 13 37.494 12.125 0.244 127 H GLY 14 HN GLY 14 38.380 14.966 -0.753 128 HA2 GLY 14 HA1 GLY 14 38.788 16.087 1.944 129 HA3 GLY 14 HA2 GLY 14 39.457 16.694 0.411 130 H ALA 15 HN ALA 15 37.221 17.006 -1.194 131 HA ALA 15 HA ALA 15 35.917 19.314 0.222 132 HB1 ALA 15 HB1 ALA 15 36.769 19.468 -2.169 133 HB2 ALA 15 HB2 ALA 15 35.070 19.934 -1.929 134 HB3 ALA 15 HB3 ALA 15 35.464 18.345 -2.623 135 H ALA 16 HN ALA 16 35.564 16.486 0.952 136 HA ALA 16 HA ALA 16 33.813 15.212 1.751 137 HB1 ALA 16 HB1 ALA 16 32.691 17.576 1.945 138 HB2 ALA 16 HB2 ALA 16 31.671 16.121 2.019 139 HB3 ALA 16 HB3 ALA 16 31.764 17.065 0.515 140 H LEU 17 HN LEU 17 35.116 14.482 -0.530 141 HA LEU 17 HA LEU 17 34.842 13.097 -2.379 142 HB2 LEU 17 HB2 LEU 17 31.911 12.801 -1.614 143 HB3 LEU 17 HB1 LEU 17 32.900 11.681 -2.567 144 HG LEU 17 HG LEU 17 33.692 12.343 0.297 145 HD11 LEU 17 HD11 LEU 17 31.337 11.659 0.428 146 HD12 LEU 17 HD12 LEU 17 32.386 10.354 1.031 147 HD13 LEU 17 HD13 LEU 17 31.671 10.243 -0.595 148 HD21 LEU 17 HD21 LEU 17 35.190 11.035 -1.334 149 HD22 LEU 17 HD22 LEU 17 33.954 9.760 -1.303 150 HD23 LEU 17 HD23 LEU 17 34.807 10.208 0.192 151 H ASP 18 HN ASP 18 34.498 15.938 -2.620 152 HA ASP 18 HA ASP 18 33.778 17.506 -4.161 153 HB2 ASP 18 HB2 ASP 18 33.438 14.981 -5.824 154 HB3 ASP 18 HB1 ASP 18 33.257 16.626 -6.477 155 H HIS 19 HN HIS 19 31.581 14.927 -5.279 156 HA HIS 19 HA HIS 19 29.284 16.057 -3.860 157 HB2 HIS 19 HB2 HIS 19 28.052 16.787 -5.860 158 HB3 HIS 19 HB1 HIS 19 29.552 17.728 -5.671 159 HD1 HIS 19 HD1 HIS 19 31.618 15.736 -6.811 160 HD2 HIS 19 HD2 HIS 19 27.902 16.525 -8.622 161 HE1 HIS 19 HE1 HIS 19 31.833 15.134 -9.285 162 H LEU 20 HN LEU 20 30.361 13.525 -3.813 163 HA LEU 20 HA LEU 20 29.825 11.297 -4.168 164 HB2 LEU 20 HB2 LEU 20 27.691 12.246 -3.132 165 HB3 LEU 20 HB1 LEU 20 27.038 12.344 -4.781 166 HG LEU 20 HG LEU 20 27.739 9.792 -4.942 167 HD11 LEU 20 HD11 LEU 20 27.470 8.653 -2.695 168 HD12 LEU 20 HD12 LEU 20 27.612 10.247 -1.923 169 HD13 LEU 20 HD13 LEU 20 28.975 9.582 -2.854 170 HD21 LEU 20 HD21 LEU 20 25.403 10.710 -3.205 171 HD22 LEU 20 HD22 LEU 20 25.534 9.130 -4.013 172 HD23 LEU 20 HD23 LEU 20 25.407 10.618 -4.981 Start of MODEL 77 1 H1 TRP 1 HT1 TRP 1 35.429 16.183 10.389 2 H2 TRP 1 HT2 TRP 1 34.066 16.188 9.375 3 H3 TRP 1 HT3 TRP 1 35.614 16.451 8.726 4 HA TRP 1 HA TRP 1 34.239 14.036 9.223 5 HB2 TRP 1 HB2 TRP 1 36.899 14.680 7.888 6 HB3 TRP 1 HB1 TRP 1 35.981 13.164 7.719 7 HD1 TRP 1 HD1 TRP 1 33.426 13.467 6.678 8 HE1 TRP 1 HE1 TRP 1 32.591 15.044 4.787 9 HE3 TRP 1 HE3 TRP 1 37.236 16.885 6.737 10 HZ2 TRP 1 HZ2 TRP 1 33.483 17.460 3.498 11 HZ3 TRP 1 HZ3 TRP 1 37.224 18.818 5.168 12 HH2 TRP 1 HH2 TRP 1 35.352 19.109 3.550 13 H LEU 2 HN LEU 2 34.795 12.279 10.407 14 HA LEU 2 HA LEU 2 36.578 12.716 12.662 15 HB2 LEU 2 HB2 LEU 2 34.424 11.240 12.493 16 HB3 LEU 2 HB1 LEU 2 35.499 10.020 11.779 17 HG LEU 2 HG LEU 2 37.020 10.511 13.909 18 HD11 LEU 2 HD11 LEU 2 35.773 12.405 14.822 19 HD12 LEU 2 HD12 LEU 2 35.588 11.022 15.921 20 HD13 LEU 2 HD13 LEU 2 34.264 11.464 14.820 21 HD21 LEU 2 HD21 LEU 2 35.902 8.356 13.436 22 HD22 LEU 2 HD22 LEU 2 34.382 8.989 14.112 23 HD23 LEU 2 HD23 LEU 2 35.796 8.757 15.166 24 H ARG 3 HN ARG 3 37.072 11.874 9.444 25 HA ARG 3 HA ARG 3 39.025 11.329 8.333 26 HB2 ARG 3 HB2 ARG 3 40.131 12.435 10.451 27 HB3 ARG 3 HB1 ARG 3 40.498 10.762 10.926 28 HG2 ARG 3 HG2 ARG 3 41.623 10.395 8.740 29 HG3 ARG 3 HG1 ARG 3 41.286 12.084 8.293 30 HD2 ARG 3 HD2 ARG 3 42.847 11.275 10.782 31 HD3 ARG 3 HD1 ARG 3 43.610 11.698 9.230 32 HE ARG 3 HE ARG 3 41.809 13.796 9.976 33 HH11 ARG 3 HH11 ARG 3 43.689 15.411 9.479 34 HH12 ARG 3 HH12 ARG 3 44.839 15.492 10.772 35 HH21 ARG 3 HH21 ARG 3 43.764 12.553 12.265 36 HH22 ARG 3 HH22 ARG 3 44.880 13.874 12.350 37 H ARG 4 HN ARG 4 38.514 9.329 11.275 38 HA ARG 4 HA ARG 4 39.497 6.917 9.975 39 HB2 ARG 4 HB2 ARG 4 37.828 7.330 12.488 40 HB3 ARG 4 HB1 ARG 4 38.542 5.779 11.981 41 HG2 ARG 4 HG2 ARG 4 40.784 6.660 12.163 42 HG3 ARG 4 HG1 ARG 4 40.175 8.317 12.398 43 HD2 ARG 4 HD2 ARG 4 40.913 7.046 14.519 44 HD3 ARG 4 HD1 ARG 4 39.303 7.804 14.561 45 HE ARG 4 HE ARG 4 38.400 5.640 14.771 46 HH11 ARG 4 HH11 ARG 4 41.731 5.478 14.039 47 HH12 ARG 4 HH12 ARG 4 41.720 3.786 13.671 48 HH21 ARG 4 HH21 ARG 4 38.282 3.469 13.989 49 HH22 ARG 4 HH22 ARG 4 39.767 2.649 13.642 50 H ILE 5 HN ILE 5 36.687 8.738 9.634 51 HA ILE 5 HA ILE 5 35.316 6.438 8.295 52 HB ILE 5 HB ILE 5 33.796 8.363 10.107 53 HG12 ILE 5 HG12 ILE 5 34.816 5.546 10.699 54 HG13 ILE 5 HG11 ILE 5 35.344 7.043 11.499 55 HG21 ILE 5 HG21 ILE 5 31.956 6.866 9.767 56 HG22 ILE 5 HG22 ILE 5 33.006 5.612 9.066 57 HG23 ILE 5 HG23 ILE 5 32.672 7.105 8.157 58 HD11 ILE 5 HD1 ILE 5 33.743 6.124 12.993 59 HD12 ILE 5 HD2 ILE 5 32.649 5.655 11.672 60 HD13 ILE 5 HD3 ILE 5 32.833 7.371 12.109 61 H GLY 6 HN GLY 6 36.539 7.907 6.661 62 HA2 GLY 6 HA1 GLY 6 34.680 9.161 5.011 63 HA3 GLY 6 HA2 GLY 6 35.319 10.461 6.039 64 H LYS 7 HN LYS 7 37.956 9.313 6.342 65 HA LYS 7 HA LYS 7 40.012 9.499 5.291 66 HB2 LYS 7 HB2 LYS 7 38.586 8.470 2.814 67 HB3 LYS 7 HB1 LYS 7 40.304 8.286 3.241 68 HG2 LYS 7 HG2 LYS 7 39.551 7.019 5.315 69 HG3 LYS 7 HG1 LYS 7 37.905 7.033 4.636 70 HD2 LYS 7 HD2 LYS 7 38.751 5.898 2.590 71 HD3 LYS 7 HD1 LYS 7 40.382 5.853 3.302 72 HE2 LYS 7 HE2 LYS 7 37.873 4.475 4.346 73 HE3 LYS 7 HE1 LYS 7 39.349 3.702 3.719 74 HZ1 LYS 7 HZ1 LYS 7 39.745 3.623 5.950 75 HZ2 LYS 7 HZ2 LYS 7 38.887 5.050 6.289 76 HZ3 LYS 7 HZ3 LYS 7 40.442 5.131 5.610 77 H GLY 8 HN GLY 8 38.915 11.910 5.487 78 HA2 GLY 8 HA1 GLY 8 38.429 13.280 3.021 79 HA3 GLY 8 HA2 GLY 8 38.903 14.029 4.559 80 H VAL 9 HN VAL 9 39.838 13.253 1.383 81 HA VAL 9 HA VAL 9 42.683 13.055 1.737 82 HB VAL 9 HB VAL 9 41.085 14.063 -0.662 83 HG11 VAL 9 HG11 VAL 9 43.994 13.234 -0.293 84 HG12 VAL 9 HG12 VAL 9 43.372 14.783 -0.910 85 HG13 VAL 9 HG13 VAL 9 43.204 13.306 -1.887 86 HG21 VAL 9 HG21 VAL 9 42.295 11.323 -0.084 87 HG22 VAL 9 HG22 VAL 9 41.287 11.776 -1.479 88 HG23 VAL 9 HG23 VAL 9 40.577 11.724 0.153 89 H LYS 10 HN LYS 10 41.361 15.752 -0.149 90 HA LYS 10 HA LYS 10 42.103 17.815 1.730 91 HB2 LYS 10 HB2 LYS 10 44.376 16.879 1.020 92 HB3 LYS 10 HB1 LYS 10 44.021 17.499 -0.610 93 HG2 LYS 10 HG2 LYS 10 43.572 19.774 0.522 94 HG3 LYS 10 HG1 LYS 10 44.325 19.077 1.976 95 HD2 LYS 10 HD2 LYS 10 45.636 19.253 -0.775 96 HD3 LYS 10 HD1 LYS 10 45.971 20.338 0.594 97 HE2 LYS 10 HE2 LYS 10 46.533 18.180 1.927 98 HE3 LYS 10 HE1 LYS 10 46.583 17.374 0.340 99 HZ1 LYS 10 HZ1 LYS 10 48.345 18.696 -0.355 100 HZ2 LYS 10 HZ2 LYS 10 48.736 18.359 1.263 101 HZ3 LYS 10 HZ3 LYS 10 48.089 19.872 0.840 102 H ILE 11 HN ILE 11 41.360 16.669 -1.490 103 HA ILE 11 HA ILE 11 39.992 19.292 -2.069 104 HB ILE 11 HB ILE 11 41.367 17.586 -4.188 105 HG12 ILE 11 HG12 ILE 11 42.397 20.059 -2.721 106 HG13 ILE 11 HG11 ILE 11 43.087 18.422 -2.638 107 HG21 ILE 11 HG21 ILE 11 39.448 19.216 -4.745 108 HG22 ILE 11 HG22 ILE 11 40.973 19.464 -5.626 109 HG23 ILE 11 HG23 ILE 11 40.554 20.521 -4.256 110 HD11 ILE 11 HD1 ILE 11 44.455 19.543 -4.222 111 HD12 ILE 11 HD2 ILE 11 43.065 20.349 -4.985 112 HD13 ILE 11 HD3 ILE 11 43.325 18.604 -5.226 113 H ILE 12 HN ILE 12 40.344 15.850 -3.030 114 HA ILE 12 HA ILE 12 37.630 15.768 -4.127 115 HB ILE 12 HB ILE 12 39.531 13.533 -3.340 116 HG12 ILE 12 HG12 ILE 12 40.677 14.925 -4.933 117 HG13 ILE 12 HG11 ILE 12 40.107 13.499 -5.820 118 HG21 ILE 12 HG21 ILE 12 37.471 12.451 -3.653 119 HG22 ILE 12 HG22 ILE 12 38.127 12.382 -5.303 120 HG23 ILE 12 HG23 ILE 12 36.914 13.611 -4.877 121 HD11 ILE 12 HD1 ILE 12 38.011 14.984 -6.385 122 HD12 ILE 12 HD2 ILE 12 39.531 15.287 -7.253 123 HD13 ILE 12 HD3 ILE 12 39.052 16.343 -5.905 124 H GLY 13 HN GLY 13 38.631 13.149 -1.992 125 HA2 GLY 13 HA1 GLY 13 36.196 13.075 -0.548 126 HA3 GLY 13 HA2 GLY 13 37.745 12.411 0.017 127 H GLY 14 HN GLY 14 38.622 15.293 -0.693 128 HA2 GLY 14 HA1 GLY 14 38.509 16.324 2.057 129 HA3 GLY 14 HA2 GLY 14 39.350 17.051 0.670 130 H ALA 15 HN ALA 15 37.345 17.331 -1.228 131 HA ALA 15 HA ALA 15 35.732 19.492 0.076 132 HB1 ALA 15 HB1 ALA 15 35.759 18.601 -2.833 133 HB2 ALA 15 HB2 ALA 15 36.832 19.853 -2.154 134 HB3 ALA 15 HB3 ALA 15 35.071 20.099 -2.172 135 H ALA 16 HN ALA 16 35.416 16.639 0.686 136 HA ALA 16 HA ALA 16 33.602 15.335 1.284 137 HB1 ALA 16 HB1 ALA 16 32.328 17.639 1.115 138 HB2 ALA 16 HB2 ALA 16 31.405 16.118 1.151 139 HB3 ALA 16 HB3 ALA 16 31.678 16.957 -0.394 140 H LEU 17 HN LEU 17 35.358 14.820 -0.916 141 HA LEU 17 HA LEU 17 35.455 13.407 -2.766 142 HB2 LEU 17 HB2 LEU 17 33.843 12.165 -0.966 143 HB3 LEU 17 HB1 LEU 17 32.674 12.333 -2.289 144 HG LEU 17 HG LEU 17 35.445 11.063 -2.549 145 HD11 LEU 17 HD11 LEU 17 34.287 8.933 -2.598 146 HD12 LEU 17 HD12 LEU 17 32.701 9.739 -2.535 147 HD13 LEU 17 HD13 LEU 17 33.784 9.794 -1.124 148 HD21 LEU 17 HD21 LEU 17 34.513 10.268 -4.738 149 HD22 LEU 17 HD22 LEU 17 34.650 12.039 -4.659 150 HD23 LEU 17 HD23 LEU 17 33.063 11.258 -4.451 151 H ASP 18 HN ASP 18 34.638 16.028 -3.254 152 HA ASP 18 HA ASP 18 33.617 17.335 -4.873 153 HB2 ASP 18 HB2 ASP 18 33.639 14.659 -6.320 154 HB3 ASP 18 HB1 ASP 18 33.206 16.203 -7.091 155 H HIS 19 HN HIS 19 31.849 14.392 -5.791 156 HA HIS 19 HA HIS 19 29.437 15.160 -4.327 157 HB2 HIS 19 HB2 HIS 19 29.369 16.813 -6.172 158 HB3 HIS 19 HB1 HIS 19 29.471 15.486 -7.354 159 HD1 HIS 19 HD1 HIS 19 27.529 14.241 -4.595 160 HD2 HIS 19 HD2 HIS 19 26.709 16.833 -7.803 161 HE1 HIS 19 HE1 HIS 19 24.993 14.284 -4.911 162 H LEU 20 HN LEU 20 30.760 12.856 -4.107 163 HA LEU 20 HA LEU 20 30.571 10.562 -4.343 164 HB2 LEU 20 HB2 LEU 20 28.356 10.889 -3.452 165 HB3 LEU 20 HB1 LEU 20 27.738 11.438 -5.024 166 HG LEU 20 HG LEU 20 27.963 9.222 -5.977 167 HD11 LEU 20 HD11 LEU 20 29.479 8.619 -3.408 168 HD12 LEU 20 HD12 LEU 20 30.020 8.399 -5.090 169 HD13 LEU 20 HD13 LEU 20 28.779 7.323 -4.407 170 HD21 LEU 20 HD21 LEU 20 26.879 8.894 -3.146 171 HD22 LEU 20 HD22 LEU 20 26.398 7.979 -4.596 172 HD23 LEU 20 HD23 LEU 20 25.996 9.707 -4.461 Start of MODEL 78 1 H1 TRP 1 HT1 TRP 1 40.160 2.879 10.175 2 H2 TRP 1 HT2 TRP 1 41.019 1.537 10.764 3 H3 TRP 1 HT3 TRP 1 39.804 1.326 9.596 4 HA TRP 1 HA TRP 1 41.979 3.120 8.938 5 HB2 TRP 1 HB2 TRP 1 43.370 1.174 8.201 6 HB3 TRP 1 HB1 TRP 1 43.206 1.285 9.971 7 HD1 TRP 1 HD1 TRP 1 41.318 -0.358 11.094 8 HE1 TRP 1 HE1 TRP 1 40.562 -2.754 10.426 9 HE3 TRP 1 HE3 TRP 1 43.046 -0.435 6.276 10 HZ2 TRP 1 HZ2 TRP 1 40.706 -4.448 8.101 11 HZ3 TRP 1 HZ3 TRP 1 42.727 -2.451 4.851 12 HH2 TRP 1 HH2 TRP 1 41.559 -4.456 5.758 13 H LEU 2 HN LEU 2 41.355 3.883 7.036 14 HA LEU 2 HA LEU 2 39.382 2.466 5.421 15 HB2 LEU 2 HB2 LEU 2 39.612 4.995 5.653 16 HB3 LEU 2 HB1 LEU 2 41.063 4.869 4.638 17 HG LEU 2 HG LEU 2 39.466 3.551 2.973 18 HD11 LEU 2 HD11 LEU 2 37.122 4.479 3.066 19 HD12 LEU 2 HD12 LEU 2 37.485 5.135 4.678 20 HD13 LEU 2 HD13 LEU 2 37.496 3.376 4.407 21 HD21 LEU 2 HD21 LEU 2 39.259 6.563 3.420 22 HD22 LEU 2 HD22 LEU 2 38.799 5.716 1.924 23 HD23 LEU 2 HD23 LEU 2 40.496 5.723 2.457 24 H ARG 3 HN ARG 3 42.524 3.816 4.400 25 HA ARG 3 HA ARG 3 43.385 1.221 3.292 26 HB2 ARG 3 HB2 ARG 3 41.836 2.218 1.545 27 HB3 ARG 3 HB1 ARG 3 42.961 3.591 1.426 28 HG2 ARG 3 HG2 ARG 3 44.766 2.142 0.703 29 HG3 ARG 3 HG1 ARG 3 43.796 0.685 1.029 30 HD2 ARG 3 HD2 ARG 3 43.118 2.835 -1.028 31 HD3 ARG 3 HD1 ARG 3 43.818 1.238 -1.393 32 HE ARG 3 HE ARG 3 41.449 0.797 0.107 33 HH11 ARG 3 HH11 ARG 3 42.572 0.489 -2.954 34 HH12 ARG 3 HH12 ARG 3 41.077 0.811 -3.767 35 HH21 ARG 3 HH21 ARG 3 39.457 1.925 -0.911 36 HH22 ARG 3 HH22 ARG 3 39.313 1.624 -2.610 37 H ARG 4 HN ARG 4 43.783 4.353 4.478 38 HA ARG 4 HA ARG 4 46.721 4.031 4.533 39 HB2 ARG 4 HB2 ARG 4 47.058 6.375 3.662 40 HB3 ARG 4 HB1 ARG 4 46.496 5.219 2.430 41 HG2 ARG 4 HG2 ARG 4 44.164 6.001 2.765 42 HG3 ARG 4 HG1 ARG 4 44.735 7.171 3.978 43 HD2 ARG 4 HD2 ARG 4 44.490 8.316 1.834 44 HD3 ARG 4 HD1 ARG 4 46.223 8.187 2.223 45 HE ARG 4 HE ARG 4 45.426 5.920 0.646 46 HH11 ARG 4 HH11 ARG 4 47.386 6.240 -0.846 47 HH12 ARG 4 HH12 ARG 4 47.209 7.581 -1.928 48 HH21 ARG 4 HH21 ARG 4 44.570 8.990 -0.174 49 HH22 ARG 4 HH22 ARG 4 45.615 9.138 -1.547 50 H ILE 5 HN ILE 5 43.844 4.659 5.953 51 HA ILE 5 HA ILE 5 43.225 5.669 7.941 52 HB ILE 5 HB ILE 5 46.184 5.826 8.648 53 HG12 ILE 5 HG12 ILE 5 44.320 3.407 8.682 54 HG13 ILE 5 HG11 ILE 5 45.785 3.601 7.692 55 HG21 ILE 5 HG21 ILE 5 45.412 5.604 10.904 56 HG22 ILE 5 HG22 ILE 5 43.785 5.102 10.381 57 HG23 ILE 5 HG23 ILE 5 44.318 6.784 10.147 58 HD11 ILE 5 HD1 ILE 5 47.034 3.932 9.951 59 HD12 ILE 5 HD2 ILE 5 46.499 2.285 9.536 60 HD13 ILE 5 HD3 ILE 5 45.568 3.253 10.701 61 H GLY 6 HN GLY 6 42.439 7.595 7.077 62 HA2 GLY 6 HA1 GLY 6 43.715 9.975 8.035 63 HA3 GLY 6 HA2 GLY 6 44.008 9.813 6.292 64 H LYS 7 HN LYS 7 41.384 8.336 6.016 65 HA LYS 7 HA LYS 7 39.230 8.920 5.393 66 HB2 LYS 7 HB2 LYS 7 39.352 10.959 7.641 67 HB3 LYS 7 HB1 LYS 7 37.913 10.146 6.979 68 HG2 LYS 7 HG2 LYS 7 39.014 7.931 7.704 69 HG3 LYS 7 HG1 LYS 7 40.166 8.926 8.625 70 HD2 LYS 7 HD2 LYS 7 37.130 8.981 8.934 71 HD3 LYS 7 HD1 LYS 7 38.269 8.190 10.048 72 HE2 LYS 7 HE2 LYS 7 39.404 10.527 10.237 73 HE3 LYS 7 HE1 LYS 7 37.909 11.156 9.502 74 HZ1 LYS 7 HZ1 LYS 7 38.266 10.713 12.136 75 HZ2 LYS 7 HZ2 LYS 7 37.481 9.283 11.661 76 HZ3 LYS 7 HZ3 LYS 7 36.757 10.791 11.366 77 H GLY 8 HN GLY 8 39.202 9.839 3.433 78 HA2 GLY 8 HA1 GLY 8 38.895 11.576 1.919 79 HA3 GLY 8 HA2 GLY 8 38.938 12.731 3.263 80 H VAL 9 HN VAL 9 40.104 14.038 1.669 81 HA VAL 9 HA VAL 9 43.038 13.589 1.979 82 HB VAL 9 HB VAL 9 43.155 14.395 -0.577 83 HG11 VAL 9 HG11 VAL 9 44.095 12.274 0.255 84 HG12 VAL 9 HG12 VAL 9 43.247 12.011 -1.288 85 HG13 VAL 9 HG13 VAL 9 42.476 11.533 0.243 86 HG21 VAL 9 HG21 VAL 9 40.578 12.764 -0.617 87 HG22 VAL 9 HG22 VAL 9 41.333 13.670 -1.951 88 HG23 VAL 9 HG23 VAL 9 40.567 14.541 -0.603 89 H LYS 10 HN LYS 10 41.815 15.797 -0.417 90 HA LYS 10 HA LYS 10 41.439 18.038 1.412 91 HB2 LYS 10 HB2 LYS 10 43.985 17.635 1.335 92 HB3 LYS 10 HB1 LYS 10 43.907 18.176 -0.358 93 HG2 LYS 10 HG2 LYS 10 42.668 20.268 0.558 94 HG3 LYS 10 HG1 LYS 10 43.230 19.746 2.161 95 HD2 LYS 10 HD2 LYS 10 45.040 20.250 -0.243 96 HD3 LYS 10 HD1 LYS 10 44.774 21.399 1.088 97 HE2 LYS 10 HE2 LYS 10 45.534 19.500 2.666 98 HE3 LYS 10 HE1 LYS 10 46.108 18.670 1.200 99 HZ1 LYS 10 HZ1 LYS 10 46.860 21.479 1.708 100 HZ2 LYS 10 HZ2 LYS 10 47.662 20.301 0.783 101 HZ3 LYS 10 HZ3 LYS 10 47.700 20.223 2.480 102 H ILE 11 HN ILE 11 41.649 16.566 -1.719 103 HA ILE 11 HA ILE 11 40.456 19.008 -3.025 104 HB ILE 11 HB ILE 11 41.624 16.529 -4.331 105 HG12 ILE 11 HG12 ILE 11 43.399 17.551 -3.031 106 HG13 ILE 11 HG11 ILE 11 43.666 17.966 -4.736 107 HG21 ILE 11 HG21 ILE 11 40.578 19.195 -5.336 108 HG22 ILE 11 HG22 ILE 11 40.366 17.567 -6.006 109 HG23 ILE 11 HG23 ILE 11 41.910 18.415 -6.219 110 HD11 ILE 11 HD1 ILE 11 42.628 19.733 -2.494 111 HD12 ILE 11 HD2 ILE 11 42.351 20.151 -4.200 112 HD13 ILE 11 HD3 ILE 11 44.007 20.009 -3.579 113 H ILE 12 HN ILE 12 40.181 15.433 -2.852 114 HA ILE 12 HA ILE 12 37.451 15.610 -4.065 115 HB ILE 12 HB ILE 12 39.172 13.211 -3.338 116 HG12 ILE 12 HG12 ILE 12 40.294 14.528 -5.052 117 HG13 ILE 12 HG11 ILE 12 39.627 13.066 -5.805 118 HG21 ILE 12 HG21 ILE 12 37.054 12.251 -3.523 119 HG22 ILE 12 HG22 ILE 12 37.494 12.241 -5.242 120 HG23 ILE 12 HG23 ILE 12 36.440 13.522 -4.601 121 HD11 ILE 12 HD1 ILE 12 39.029 14.772 -7.325 122 HD12 ILE 12 HD2 ILE 12 38.661 15.933 -6.033 123 HD13 ILE 12 HD3 ILE 12 37.552 14.582 -6.359 124 H GLY 13 HN GLY 13 38.165 12.888 -2.015 125 HA2 GLY 13 HA1 GLY 13 35.878 13.162 -0.401 126 HA3 GLY 13 HA2 GLY 13 37.351 12.284 0.072 127 H GLY 14 HN GLY 14 38.619 15.021 -0.628 128 HA2 GLY 14 HA1 GLY 14 38.659 16.030 2.146 129 HA3 GLY 14 HA2 GLY 14 39.640 16.592 0.779 130 H ALA 15 HN ALA 15 37.795 17.186 -1.181 131 HA ALA 15 HA ALA 15 36.561 19.621 0.031 132 HB1 ALA 15 HB1 ALA 15 37.723 19.563 -2.241 133 HB2 ALA 15 HB2 ALA 15 36.103 20.296 -2.208 134 HB3 ALA 15 HB3 ALA 15 36.318 18.644 -2.834 135 H ALA 16 HN ALA 16 35.733 16.875 0.750 136 HA ALA 16 HA ALA 16 33.720 15.945 1.397 137 HB1 ALA 16 HB1 ALA 16 32.888 18.438 1.170 138 HB2 ALA 16 HB2 ALA 16 31.703 17.113 1.250 139 HB3 ALA 16 HB3 ALA 16 32.111 17.848 -0.318 140 H LEU 17 HN LEU 17 35.316 15.015 -0.768 141 HA LEU 17 HA LEU 17 35.130 13.580 -2.601 142 HB2 LEU 17 HB2 LEU 17 33.537 12.535 -0.794 143 HB3 LEU 17 HB1 LEU 17 32.227 13.124 -1.841 144 HG LEU 17 HG LEU 17 33.665 11.903 -3.764 145 HD11 LEU 17 HD11 LEU 17 34.906 9.994 -3.034 146 HD12 LEU 17 HD12 LEU 17 34.322 10.152 -1.361 147 HD13 LEU 17 HD13 LEU 17 35.476 11.334 -2.015 148 HD21 LEU 17 HD21 LEU 17 32.315 9.851 -3.391 149 HD22 LEU 17 HD22 LEU 17 31.344 11.319 -3.127 150 HD23 LEU 17 HD23 LEU 17 31.953 10.392 -1.734 151 H ASP 18 HN ASP 18 34.195 16.479 -2.746 152 HA ASP 18 HA ASP 18 33.225 17.879 -4.321 153 HB2 ASP 18 HB2 ASP 18 33.803 15.441 -6.046 154 HB3 ASP 18 HB1 ASP 18 33.247 17.000 -6.699 155 H HIS 19 HN HIS 19 31.991 14.969 -5.918 156 HA HIS 19 HA HIS 19 29.373 15.907 -6.259 157 HB2 HIS 19 HB2 HIS 19 30.390 13.857 -7.309 158 HB3 HIS 19 HB1 HIS 19 30.150 13.006 -5.765 159 HD1 HIS 19 HD1 HIS 19 27.412 15.292 -5.991 160 HD2 HIS 19 HD2 HIS 19 28.277 11.565 -7.737 161 HE1 HIS 19 HE1 HIS 19 25.210 14.326 -6.856 162 H LEU 20 HN LEU 20 30.812 14.222 -3.481 163 HA LEU 20 HA LEU 20 29.988 13.835 -1.354 164 HB2 LEU 20 HB2 LEU 20 29.708 16.443 -1.730 165 HB3 LEU 20 HB1 LEU 20 27.970 16.070 -1.731 166 HG LEU 20 HG LEU 20 29.969 15.420 0.486 167 HD11 LEU 20 HD11 LEU 20 28.770 17.079 1.773 168 HD12 LEU 20 HD12 LEU 20 27.531 17.247 0.506 169 HD13 LEU 20 HD13 LEU 20 29.188 17.824 0.211 170 HD21 LEU 20 HD21 LEU 20 27.756 14.794 1.704 171 HD22 LEU 20 HD22 LEU 20 28.389 13.633 0.517 172 HD23 LEU 20 HD23 LEU 20 27.036 14.705 0.079 Start of MODEL 79 1 H1 TRP 1 HT1 TRP 1 44.486 1.639 -2.731 2 H2 TRP 1 HT2 TRP 1 44.152 3.118 -1.963 3 H3 TRP 1 HT3 TRP 1 44.541 3.082 -3.617 4 HA TRP 1 HA TRP 1 42.554 2.130 -4.216 5 HB2 TRP 1 HB2 TRP 1 42.591 0.436 -2.365 6 HB3 TRP 1 HB1 TRP 1 42.010 1.700 -1.255 7 HD1 TRP 1 HD1 TRP 1 39.486 1.887 -1.052 8 HE1 TRP 1 HE1 TRP 1 37.412 1.144 -2.432 9 HE3 TRP 1 HE3 TRP 1 41.887 -0.045 -5.141 10 HZ2 TRP 1 HZ2 TRP 1 36.899 -0.117 -4.968 11 HZ3 TRP 1 HZ3 TRP 1 40.583 -1.013 -7.030 12 HH2 TRP 1 HH2 TRP 1 38.094 -1.050 -6.947 13 H LEU 2 HN LEU 2 43.417 4.678 -3.965 14 HA LEU 2 HA LEU 2 40.991 6.159 -3.882 15 HB2 LEU 2 HB2 LEU 2 40.984 5.948 -1.477 16 HB3 LEU 2 HB1 LEU 2 42.710 6.351 -1.381 17 HG LEU 2 HG LEU 2 42.286 8.648 -2.036 18 HD11 LEU 2 HD11 LEU 2 39.487 7.615 -2.645 19 HD12 LEU 2 HD12 LEU 2 40.608 8.478 -3.727 20 HD13 LEU 2 HD13 LEU 2 39.813 9.347 -2.395 21 HD21 LEU 2 HD21 LEU 2 41.856 8.064 0.338 22 HD22 LEU 2 HD22 LEU 2 40.156 7.719 -0.059 23 HD23 LEU 2 HD23 LEU 2 40.786 9.377 -0.208 24 H ARG 3 HN ARG 3 44.354 6.584 -2.830 25 HA ARG 3 HA ARG 3 45.194 7.936 -5.237 26 HB2 ARG 3 HB2 ARG 3 43.794 9.761 -4.216 27 HB3 ARG 3 HB1 ARG 3 44.828 9.692 -2.770 28 HG2 ARG 3 HG2 ARG 3 46.807 10.245 -4.141 29 HG3 ARG 3 HG1 ARG 3 45.792 10.285 -5.603 30 HD2 ARG 3 HD2 ARG 3 44.495 12.152 -4.712 31 HD3 ARG 3 HD1 ARG 3 45.367 12.062 -3.162 32 HE ARG 3 HE ARG 3 47.163 12.453 -5.427 33 HH11 ARG 3 HH11 ARG 3 48.398 13.883 -3.610 34 HH12 ARG 3 HH12 ARG 3 47.679 15.455 -3.508 35 HH21 ARG 3 HH21 ARG 3 44.759 14.517 -5.124 36 HH22 ARG 3 HH22 ARG 3 45.620 15.814 -4.366 37 H ARG 4 HN ARG 4 45.419 6.849 -2.003 38 HA ARG 4 HA ARG 4 48.100 5.933 -2.255 39 HB2 ARG 4 HB2 ARG 4 49.114 7.464 -0.479 40 HB3 ARG 4 HB1 ARG 4 48.877 8.195 -2.084 41 HG2 ARG 4 HG2 ARG 4 46.742 9.199 -1.311 42 HG3 ARG 4 HG1 ARG 4 46.994 8.480 0.298 43 HD2 ARG 4 HD2 ARG 4 48.988 10.358 -1.035 44 HD3 ARG 4 HD1 ARG 4 47.725 10.908 0.092 45 HE ARG 4 HE ARG 4 48.989 8.917 1.521 46 HH11 ARG 4 HH11 ARG 4 49.284 12.062 1.666 47 HH12 ARG 4 HH12 ARG 4 51.006 12.170 1.813 48 HH21 ARG 4 HH21 ARG 4 51.557 8.875 0.882 49 HH22 ARG 4 HH22 ARG 4 52.294 10.365 1.369 50 H ILE 5 HN ILE 5 45.208 5.545 -1.264 51 HA ILE 5 HA ILE 5 44.199 4.332 0.426 52 HB ILE 5 HB ILE 5 46.978 3.602 1.443 53 HG12 ILE 5 HG12 ILE 5 45.383 2.306 -0.817 54 HG13 ILE 5 HG11 ILE 5 46.859 3.275 -1.033 55 HG21 ILE 5 HG21 ILE 5 45.903 1.640 2.295 56 HG22 ILE 5 HG22 ILE 5 44.431 1.936 1.339 57 HG23 ILE 5 HG23 ILE 5 44.824 2.986 2.719 58 HD11 ILE 5 HD1 ILE 5 47.637 1.034 -1.030 59 HD12 ILE 5 HD2 ILE 5 46.553 0.564 0.299 60 HD13 ILE 5 HD3 ILE 5 47.965 1.599 0.624 61 H GLY 6 HN GLY 6 43.238 4.977 2.239 62 HA2 GLY 6 HA1 GLY 6 42.979 5.929 4.341 63 HA3 GLY 6 HA2 GLY 6 44.739 6.088 4.467 64 H LYS 7 HN LYS 7 45.678 7.818 2.895 65 HA LYS 7 HA LYS 7 44.211 10.316 3.535 66 HB2 LYS 7 HB2 LYS 7 46.876 9.999 2.111 67 HB3 LYS 7 HB1 LYS 7 46.248 11.437 2.948 68 HG2 LYS 7 HG2 LYS 7 46.226 10.122 5.089 69 HG3 LYS 7 HG1 LYS 7 46.993 8.770 4.224 70 HD2 LYS 7 HD2 LYS 7 48.863 10.343 3.575 71 HD3 LYS 7 HD1 LYS 7 48.130 11.567 4.638 72 HE2 LYS 7 HE2 LYS 7 49.038 8.791 5.516 73 HE3 LYS 7 HE1 LYS 7 49.931 10.303 5.800 74 HZ1 LYS 7 HZ1 LYS 7 47.351 10.766 6.670 75 HZ2 LYS 7 HZ2 LYS 7 48.731 10.536 7.634 76 HZ3 LYS 7 HZ3 LYS 7 47.734 9.217 7.243 77 H GLY 8 HN GLY 8 44.657 12.086 1.694 78 HA2 GLY 8 HA1 GLY 8 44.466 12.631 -0.622 79 HA3 GLY 8 HA2 GLY 8 43.935 10.977 -0.983 80 H VAL 9 HN VAL 9 42.931 13.880 0.877 81 HA VAL 9 HA VAL 9 40.276 13.780 -0.398 82 HB VAL 9 HB VAL 9 39.070 13.785 1.829 83 HG11 VAL 9 HG11 VAL 9 40.640 11.208 1.409 84 HG12 VAL 9 HG12 VAL 9 39.349 11.735 0.303 85 HG13 VAL 9 HG13 VAL 9 38.976 11.398 2.009 86 HG21 VAL 9 HG21 VAL 9 40.299 12.797 3.767 87 HG22 VAL 9 HG22 VAL 9 40.991 14.356 3.257 88 HG23 VAL 9 HG23 VAL 9 41.800 12.835 2.810 89 H LYS 10 HN LYS 10 42.721 15.536 -0.004 90 HA LYS 10 HA LYS 10 41.805 17.756 1.663 91 HB2 LYS 10 HB2 LYS 10 43.953 17.660 -0.494 92 HB3 LYS 10 HB1 LYS 10 43.732 18.950 0.711 93 HG2 LYS 10 HG2 LYS 10 44.325 17.515 2.525 94 HG3 LYS 10 HG1 LYS 10 44.149 16.050 1.532 95 HD2 LYS 10 HD2 LYS 10 46.531 16.562 1.831 96 HD3 LYS 10 HD1 LYS 10 46.075 16.800 0.127 97 HE2 LYS 10 HE2 LYS 10 46.056 19.177 0.352 98 HE3 LYS 10 HE1 LYS 10 46.061 19.090 2.132 99 HZ1 LYS 10 HZ1 LYS 10 48.284 17.735 1.534 100 HZ2 LYS 10 HZ2 LYS 10 48.254 19.404 1.848 101 HZ3 LYS 10 HZ3 LYS 10 48.260 18.838 0.246 102 H ILE 11 HN ILE 11 41.099 16.602 -1.471 103 HA ILE 11 HA ILE 11 39.667 19.166 -2.124 104 HB ILE 11 HB ILE 11 41.176 17.520 -4.190 105 HG12 ILE 11 HG12 ILE 11 42.048 20.046 -2.711 106 HG13 ILE 11 HG11 ILE 11 42.822 18.448 -2.623 107 HG21 ILE 11 HG21 ILE 11 40.726 19.367 -5.658 108 HG22 ILE 11 HG22 ILE 11 40.220 20.413 -4.310 109 HG23 ILE 11 HG23 ILE 11 39.194 19.049 -4.815 110 HD11 ILE 11 HD1 ILE 11 44.157 19.650 -4.176 111 HD12 ILE 11 HD2 ILE 11 42.741 20.385 -4.960 112 HD13 ILE 11 HD3 ILE 11 43.098 18.657 -5.206 113 H ILE 12 HN ILE 12 40.168 15.697 -2.652 114 HA ILE 12 HA ILE 12 37.701 15.327 -4.156 115 HB ILE 12 HB ILE 12 39.434 13.391 -2.593 116 HG12 ILE 12 HG12 ILE 12 39.403 13.984 -5.592 117 HG13 ILE 12 HG11 ILE 12 40.573 14.681 -4.450 118 HG21 ILE 12 HG21 ILE 12 38.382 11.692 -4.208 119 HG22 ILE 12 HG22 ILE 12 37.233 12.968 -4.668 120 HG23 ILE 12 HG23 ILE 12 37.273 12.363 -2.996 121 HD11 ILE 12 HD1 ILE 12 40.961 12.091 -3.808 122 HD12 ILE 12 HD2 ILE 12 41.794 12.832 -5.193 123 HD13 ILE 12 HD3 ILE 12 40.345 11.840 -5.460 124 H GLY 13 HN GLY 13 38.432 13.421 -1.255 125 HA2 GLY 13 HA1 GLY 13 35.729 13.524 -0.298 126 HA3 GLY 13 HA2 GLY 13 37.160 13.024 0.636 127 H GLY 14 HN GLY 14 38.094 15.733 -0.679 128 HA2 GLY 14 HA1 GLY 14 37.641 17.352 1.760 129 HA3 GLY 14 HA2 GLY 14 38.661 17.768 0.363 130 H ALA 15 HN ALA 15 36.841 17.411 -1.740 131 HA ALA 15 HA ALA 15 35.125 19.825 -1.298 132 HB1 ALA 15 HB1 ALA 15 34.705 19.674 -3.712 133 HB2 ALA 15 HB2 ALA 15 35.591 18.135 -3.791 134 HB3 ALA 15 HB3 ALA 15 36.452 19.643 -3.387 135 H ALA 16 HN ALA 16 34.736 17.258 0.057 136 HA ALA 16 HA ALA 16 32.888 16.068 0.766 137 HB1 ALA 16 HB1 ALA 16 30.712 16.729 0.219 138 HB2 ALA 16 HB2 ALA 16 31.151 17.190 -1.442 139 HB3 ALA 16 HB3 ALA 16 31.632 18.222 -0.076 140 H LEU 17 HN LEU 17 34.870 15.126 -1.101 141 HA LEU 17 HA LEU 17 35.161 13.364 -2.599 142 HB2 LEU 17 HB2 LEU 17 33.606 12.436 -0.590 143 HB3 LEU 17 HB1 LEU 17 32.461 12.194 -1.923 144 HG LEU 17 HG LEU 17 35.331 11.136 -1.868 145 HD11 LEU 17 HD11 LEU 17 32.703 9.625 -1.556 146 HD12 LEU 17 HD12 LEU 17 33.748 10.095 -0.193 147 HD13 LEU 17 HD13 LEU 17 34.349 8.962 -1.428 148 HD21 LEU 17 HD21 LEU 17 34.488 9.763 -3.808 149 HD22 LEU 17 HD22 LEU 17 34.538 11.509 -4.152 150 HD23 LEU 17 HD23 LEU 17 32.987 10.715 -3.779 151 H ASP 18 HN ASP 18 34.351 15.604 -3.864 152 HA ASP 18 HA ASP 18 33.271 16.398 -5.763 153 HB2 ASP 18 HB2 ASP 18 33.428 13.434 -6.438 154 HB3 ASP 18 HB1 ASP 18 33.026 14.716 -7.606 155 H HIS 19 HN HIS 19 31.617 15.385 -3.431 156 HA HIS 19 HA HIS 19 29.370 15.070 -2.947 157 HB2 HIS 19 HB2 HIS 19 29.013 16.370 -5.678 158 HB3 HIS 19 HB1 HIS 19 27.759 16.216 -4.423 159 HD1 HIS 19 HD1 HIS 19 27.871 17.773 -2.379 160 HD2 HIS 19 HD2 HIS 19 31.054 18.289 -5.080 161 HE1 HIS 19 HE1 HIS 19 29.128 19.887 -1.681 162 H LEU 20 HN LEU 20 30.353 12.734 -3.559 163 HA LEU 20 HA LEU 20 28.123 11.365 -4.824 164 HB2 LEU 20 HB2 LEU 20 29.418 12.144 -6.831 165 HB3 LEU 20 HB1 LEU 20 30.821 11.238 -6.230 166 HG LEU 20 HG LEU 20 29.410 9.136 -6.276 167 HD11 LEU 20 HD11 LEU 20 27.374 9.409 -7.947 168 HD12 LEU 20 HD12 LEU 20 27.396 11.107 -7.419 169 HD13 LEU 20 HD13 LEU 20 27.143 9.806 -6.232 170 HD21 LEU 20 HD21 LEU 20 30.986 9.773 -8.098 171 HD22 LEU 20 HD22 LEU 20 29.665 10.637 -8.920 172 HD23 LEU 20 HD23 LEU 20 29.581 8.870 -8.717 Start of MODEL 80 1 H1 TRP 1 HT1 TRP 1 45.752 8.105 13.297 2 H2 TRP 1 HT2 TRP 1 45.513 6.807 12.226 3 H3 TRP 1 HT3 TRP 1 45.322 6.579 13.900 4 HA TRP 1 HA TRP 1 43.429 7.321 12.009 5 HB2 TRP 1 HB2 TRP 1 41.947 7.222 14.063 6 HB3 TRP 1 HB1 TRP 1 42.954 5.778 13.797 7 HD1 TRP 1 HD1 TRP 1 42.422 8.680 16.168 8 HE1 TRP 1 HE1 TRP 1 43.940 8.417 18.263 9 HE3 TRP 1 HE3 TRP 1 45.325 4.772 14.580 10 HZ2 TRP 1 HZ2 TRP 1 46.112 6.726 19.105 11 HZ3 TRP 1 HZ3 TRP 1 47.114 3.850 16.046 12 HH2 TRP 1 HH2 TRP 1 47.510 4.823 18.305 13 H LEU 2 HN LEU 2 42.521 9.201 11.461 14 HA LEU 2 HA LEU 2 43.571 11.668 12.580 15 HB2 LEU 2 HB2 LEU 2 41.102 11.391 10.838 16 HB3 LEU 2 HB1 LEU 2 42.206 12.780 10.974 17 HG LEU 2 HG LEU 2 42.894 10.036 9.829 18 HD11 LEU 2 HD11 LEU 2 43.021 11.197 7.693 19 HD12 LEU 2 HD12 LEU 2 42.730 12.767 8.480 20 HD13 LEU 2 HD13 LEU 2 41.435 11.546 8.422 21 HD21 LEU 2 HD21 LEU 2 44.549 12.534 10.386 22 HD22 LEU 2 HD22 LEU 2 45.025 11.364 9.132 23 HD23 LEU 2 HD23 LEU 2 44.902 10.846 10.827 24 H ARG 3 HN ARG 3 40.133 10.768 12.237 25 HA ARG 3 HA ARG 3 39.661 11.342 15.119 26 HB2 ARG 3 HB2 ARG 3 38.195 12.838 12.904 27 HB3 ARG 3 HB1 ARG 3 37.926 12.996 14.658 28 HG2 ARG 3 HG2 ARG 3 40.379 13.689 14.851 29 HG3 ARG 3 HG1 ARG 3 40.401 13.790 13.073 30 HD2 ARG 3 HD2 ARG 3 38.471 15.306 14.888 31 HD3 ARG 3 HD1 ARG 3 39.934 15.996 14.149 32 HE ARG 3 HE ARG 3 38.851 15.929 12.003 33 HH11 ARG 3 HH11 ARG 3 36.615 16.225 14.344 34 HH12 ARG 3 HH12 ARG 3 35.310 15.443 13.516 35 HH21 ARG 3 HH21 ARG 3 37.325 14.175 10.994 36 HH22 ARG 3 HH22 ARG 3 35.713 14.282 11.618 37 H ARG 4 HN ARG 4 39.093 9.793 12.174 38 HA ARG 4 HA ARG 4 37.206 7.953 13.382 39 HB2 ARG 4 HB2 ARG 4 35.812 10.050 12.683 40 HB3 ARG 4 HB1 ARG 4 36.094 9.509 11.015 41 HG2 ARG 4 HG2 ARG 4 35.037 7.348 11.493 42 HG3 ARG 4 HG1 ARG 4 34.867 7.774 13.212 43 HD2 ARG 4 HD2 ARG 4 32.756 8.108 11.880 44 HD3 ARG 4 HD1 ARG 4 33.342 9.593 12.667 45 HE ARG 4 HE ARG 4 34.471 9.533 10.070 46 HH11 ARG 4 HH11 ARG 4 31.478 8.425 10.037 47 HH12 ARG 4 HH12 ARG 4 30.681 9.849 9.451 48 HH21 ARG 4 HH21 ARG 4 33.413 11.918 9.986 49 HH22 ARG 4 HH22 ARG 4 31.778 11.826 9.422 50 H ILE 5 HN ILE 5 39.719 8.662 11.510 51 HA ILE 5 HA ILE 5 40.840 7.566 9.804 52 HB ILE 5 HB ILE 5 39.049 5.147 10.292 53 HG12 ILE 5 HG12 ILE 5 41.357 6.165 12.012 54 HG13 ILE 5 HG11 ILE 5 39.656 6.030 12.507 55 HG21 ILE 5 HG21 ILE 5 42.058 5.287 9.843 56 HG22 ILE 5 HG22 ILE 5 40.905 5.249 8.488 57 HG23 ILE 5 HG23 ILE 5 40.971 3.892 9.637 58 HD11 ILE 5 HD1 ILE 5 39.871 3.512 11.900 59 HD12 ILE 5 HD2 ILE 5 40.676 4.072 13.385 60 HD13 ILE 5 HD3 ILE 5 41.629 3.801 11.907 61 H GLY 6 HN GLY 6 38.915 9.234 8.854 62 HA2 GLY 6 HA1 GLY 6 38.521 8.411 6.221 63 HA3 GLY 6 HA2 GLY 6 37.058 7.889 7.078 64 H LYS 7 HN LYS 7 39.093 10.781 7.595 65 HA LYS 7 HA LYS 7 36.718 12.476 7.674 66 HB2 LYS 7 HB2 LYS 7 38.795 12.868 9.033 67 HB3 LYS 7 HB1 LYS 7 39.646 13.290 7.527 68 HG2 LYS 7 HG2 LYS 7 38.079 15.127 7.109 69 HG3 LYS 7 HG1 LYS 7 37.120 14.669 8.537 70 HD2 LYS 7 HD2 LYS 7 39.132 15.075 9.973 71 HD3 LYS 7 HD1 LYS 7 40.013 15.635 8.531 72 HE2 LYS 7 HE2 LYS 7 37.438 16.854 9.624 73 HE3 LYS 7 HE1 LYS 7 39.068 17.547 9.797 74 HZ1 LYS 7 HZ1 LYS 7 37.282 17.683 7.585 75 HZ2 LYS 7 HZ2 LYS 7 38.764 17.002 7.109 76 HZ3 LYS 7 HZ3 LYS 7 38.727 18.530 7.852 77 H GLY 8 HN GLY 8 39.683 12.967 5.724 78 HA2 GLY 8 HA1 GLY 8 38.344 12.868 3.189 79 HA3 GLY 8 HA2 GLY 8 38.425 14.549 3.753 80 H VAL 9 HN VAL 9 39.686 13.481 1.407 81 HA VAL 9 HA VAL 9 42.506 13.037 1.995 82 HB VAL 9 HB VAL 9 41.111 13.788 -0.616 83 HG11 VAL 9 HG11 VAL 9 43.950 12.897 0.044 84 HG12 VAL 9 HG12 VAL 9 43.439 14.368 -0.820 85 HG13 VAL 9 HG13 VAL 9 43.255 12.775 -1.591 86 HG21 VAL 9 HG21 VAL 9 42.049 11.124 0.543 87 HG22 VAL 9 HG22 VAL 9 41.413 11.355 -1.103 88 HG23 VAL 9 HG23 VAL 9 40.360 11.632 0.305 89 H LYS 10 HN LYS 10 41.378 15.539 -0.269 90 HA LYS 10 HA LYS 10 42.268 17.756 1.381 91 HB2 LYS 10 HB2 LYS 10 44.459 16.654 0.705 92 HB3 LYS 10 HB1 LYS 10 44.057 17.067 -0.979 93 HG2 LYS 10 HG2 LYS 10 43.885 19.464 -0.343 94 HG3 LYS 10 HG1 LYS 10 44.325 19.044 1.330 95 HD2 LYS 10 HD2 LYS 10 46.486 18.138 0.550 96 HD3 LYS 10 HD1 LYS 10 46.049 18.524 -1.132 97 HE2 LYS 10 HE2 LYS 10 47.446 20.326 -0.344 98 HE3 LYS 10 HE1 LYS 10 45.780 20.948 -0.396 99 HZ1 LYS 10 HZ1 LYS 10 45.565 20.621 1.941 100 HZ2 LYS 10 HZ2 LYS 10 47.013 21.470 1.682 101 HZ3 LYS 10 HZ3 LYS 10 47.051 19.811 2.042 102 H ILE 11 HN ILE 11 41.191 16.324 -1.598 103 HA ILE 11 HA ILE 11 39.934 18.938 -2.367 104 HB ILE 11 HB ILE 11 41.247 17.101 -4.415 105 HG12 ILE 11 HG12 ILE 11 42.336 19.652 -3.136 106 HG13 ILE 11 HG11 ILE 11 43.000 18.014 -2.934 107 HG21 ILE 11 HG21 ILE 11 40.839 18.899 -5.947 108 HG22 ILE 11 HG22 ILE 11 40.461 20.037 -4.631 109 HG23 ILE 11 HG23 ILE 11 39.332 18.718 -5.021 110 HD11 ILE 11 HD1 ILE 11 44.364 18.981 -4.619 111 HD12 ILE 11 HD2 ILE 11 42.978 19.754 -5.423 112 HD13 ILE 11 HD3 ILE 11 43.202 17.990 -5.532 113 H ILE 12 HN ILE 12 40.222 15.428 -3.010 114 HA ILE 12 HA ILE 12 37.515 15.289 -4.127 115 HB ILE 12 HB ILE 12 39.409 13.126 -3.154 116 HG12 ILE 12 HG12 ILE 12 38.903 13.842 -6.077 117 HG13 ILE 12 HG11 ILE 12 40.107 14.745 -5.133 118 HG21 ILE 12 HG21 ILE 12 36.790 13.065 -4.705 119 HG22 ILE 12 HG22 ILE 12 37.259 12.111 -3.280 120 HG23 ILE 12 HG23 ILE 12 37.965 11.743 -4.864 121 HD11 ILE 12 HD1 ILE 12 41.305 12.987 -6.231 122 HD12 ILE 12 HD2 ILE 12 40.101 11.767 -5.773 123 HD13 ILE 12 HD3 ILE 12 41.159 12.481 -4.535 124 H GLY 13 HN GLY 13 38.571 12.933 -1.709 125 HA2 GLY 13 HA1 GLY 13 36.109 13.002 -0.267 126 HA3 GLY 13 HA2 GLY 13 37.653 12.360 0.340 127 H GLY 14 HN GLY 14 38.535 15.154 -0.692 128 HA2 GLY 14 HA1 GLY 14 38.519 16.459 1.946 129 HA3 GLY 14 HA2 GLY 14 39.324 17.031 0.467 130 H ALA 15 HN ALA 15 37.267 17.121 -1.387 131 HA ALA 15 HA ALA 15 35.702 19.425 -0.289 132 HB1 ALA 15 HB1 ALA 15 36.726 19.535 -2.572 133 HB2 ALA 15 HB2 ALA 15 34.961 19.751 -2.580 134 HB3 ALA 15 HB3 ALA 15 35.665 18.195 -3.074 135 H ALA 16 HN ALA 16 35.393 16.673 0.670 136 HA ALA 16 HA ALA 16 33.614 15.420 1.436 137 HB1 ALA 16 HB1 ALA 16 31.415 16.213 1.332 138 HB2 ALA 16 HB2 ALA 16 31.633 16.933 -0.280 139 HB3 ALA 16 HB3 ALA 16 32.351 17.713 1.149 140 H LEU 17 HN LEU 17 35.261 14.694 -0.770 141 HA LEU 17 HA LEU 17 35.272 13.111 -2.474 142 HB2 LEU 17 HB2 LEU 17 33.617 12.099 -0.563 143 HB3 LEU 17 HB1 LEU 17 32.462 12.181 -1.907 144 HG LEU 17 HG LEU 17 35.189 10.798 -2.007 145 HD11 LEU 17 HD11 LEU 17 33.872 8.713 -2.003 146 HD12 LEU 17 HD12 LEU 17 32.366 9.650 -1.864 147 HD13 LEU 17 HD13 LEU 17 33.544 9.656 -0.530 148 HD21 LEU 17 HD21 LEU 17 32.860 10.912 -3.980 149 HD22 LEU 17 HD22 LEU 17 34.289 9.867 -4.150 150 HD23 LEU 17 HD23 LEU 17 34.470 11.636 -4.208 151 H ASP 18 HN ASP 18 34.473 15.750 -3.113 152 HA ASP 18 HA ASP 18 33.377 16.970 -4.762 153 HB2 ASP 18 HB2 ASP 18 34.876 15.510 -6.113 154 HB3 ASP 18 HB1 ASP 18 33.556 14.324 -6.255 155 H HIS 19 HN HIS 19 31.514 16.596 -3.041 156 HA HIS 19 HA HIS 19 29.273 16.082 -2.626 157 HB2 HIS 19 HB2 HIS 19 27.762 16.922 -4.376 158 HB3 HIS 19 HB1 HIS 19 29.145 18.018 -4.152 159 HD1 HIS 19 HD1 HIS 19 27.612 15.564 -6.578 160 HD2 HIS 19 HD2 HIS 19 30.947 18.116 -6.351 161 HE1 HIS 19 HE1 HIS 19 28.659 15.658 -8.907 162 H LEU 20 HN LEU 20 30.501 13.713 -2.921 163 HA LEU 20 HA LEU 20 30.177 11.497 -3.543 164 HB2 LEU 20 HB2 LEU 20 27.353 12.616 -3.579 165 HB3 LEU 20 HB1 LEU 20 27.677 10.897 -3.904 166 HG LEU 20 HG LEU 20 28.768 10.646 -1.726 167 HD11 LEU 20 HD11 LEU 20 28.347 13.656 -1.585 168 HD12 LEU 20 HD12 LEU 20 29.844 12.727 -1.326 169 HD13 LEU 20 HD13 LEU 20 28.548 12.679 -0.110 170 HD21 LEU 20 HD21 LEU 20 26.253 10.487 -1.937 171 HD22 LEU 20 HD22 LEU 20 26.151 12.178 -1.392 172 HD23 LEU 20 HD23 LEU 20 26.810 10.930 -0.307 Start of MODEL 81 1 H1 TRP 1 HT1 TRP 1 43.125 6.390 15.189 2 H2 TRP 1 HT2 TRP 1 42.300 6.384 13.702 3 H3 TRP 1 HT3 TRP 1 41.574 7.064 15.080 4 HA TRP 1 HA TRP 1 42.298 8.836 13.773 5 HB2 TRP 1 HB2 TRP 1 44.330 8.319 15.980 6 HB3 TRP 1 HB1 TRP 1 43.927 9.900 15.268 7 HD1 TRP 1 HD1 TRP 1 42.145 6.999 17.123 8 HE1 TRP 1 HE1 TRP 1 40.228 7.983 18.579 9 HE3 TRP 1 HE3 TRP 1 42.539 11.919 15.760 10 HZ2 TRP 1 HZ2 TRP 1 39.050 10.566 19.063 11 HZ3 TRP 1 HZ3 TRP 1 41.008 13.625 16.732 12 HH2 TRP 1 HH2 TRP 1 39.265 12.953 18.380 13 H LEU 2 HN LEU 2 42.937 7.820 11.727 14 HA LEU 2 HA LEU 2 45.597 6.847 11.294 15 HB2 LEU 2 HB2 LEU 2 43.463 8.015 9.486 16 HB3 LEU 2 HB1 LEU 2 45.048 7.549 8.839 17 HG LEU 2 HG LEU 2 43.224 5.782 8.664 18 HD11 LEU 2 HD11 LEU 2 44.708 3.984 8.989 19 HD12 LEU 2 HD12 LEU 2 45.469 4.716 10.416 20 HD13 LEU 2 HD13 LEU 2 45.816 5.358 8.796 21 HD21 LEU 2 HD21 LEU 2 42.510 4.583 10.630 22 HD22 LEU 2 HD22 LEU 2 42.259 6.315 10.952 23 HD23 LEU 2 HD23 LEU 2 43.651 5.470 11.668 24 H ARG 3 HN ARG 3 44.508 9.690 9.533 25 HA ARG 3 HA ARG 3 46.706 11.344 10.724 26 HB2 ARG 3 HB2 ARG 3 46.285 11.097 7.719 27 HB3 ARG 3 HB1 ARG 3 47.606 11.926 8.580 28 HG2 ARG 3 HG2 ARG 3 48.256 9.678 9.563 29 HG3 ARG 3 HG1 ARG 3 47.072 8.929 8.465 30 HD2 ARG 3 HD2 ARG 3 48.258 10.010 6.530 31 HD3 ARG 3 HD1 ARG 3 49.495 10.598 7.667 32 HE ARG 3 HE ARG 3 49.382 7.855 8.132 33 HH11 ARG 3 HH11 ARG 3 51.513 9.656 6.650 34 HH12 ARG 3 HH12 ARG 3 51.791 8.664 5.257 35 HH21 ARG 3 HH21 ARG 3 49.008 6.666 5.795 36 HH22 ARG 3 HH22 ARG 3 50.374 6.971 4.774 37 H ARG 4 HN ARG 4 43.598 10.872 9.405 38 HA ARG 4 HA ARG 4 42.854 13.663 10.020 39 HB2 ARG 4 HB2 ARG 4 42.645 12.491 7.216 40 HB3 ARG 4 HB1 ARG 4 41.687 13.886 7.765 41 HG2 ARG 4 HG2 ARG 4 43.895 15.008 8.402 42 HG3 ARG 4 HG1 ARG 4 44.719 13.682 7.547 43 HD2 ARG 4 HD2 ARG 4 43.512 14.241 5.472 44 HD3 ARG 4 HD1 ARG 4 42.636 15.539 6.317 45 HE ARG 4 HE ARG 4 44.537 16.879 5.974 46 HH11 ARG 4 HH11 ARG 4 45.382 14.350 4.216 47 HH12 ARG 4 HH12 ARG 4 47.050 14.264 4.673 48 HH21 ARG 4 HH21 ARG 4 46.702 16.432 7.357 49 HH22 ARG 4 HH22 ARG 4 47.797 15.442 6.453 50 H ILE 5 HN ILE 5 42.410 10.648 10.651 51 HA ILE 5 HA ILE 5 40.617 9.329 11.284 52 HB ILE 5 HB ILE 5 38.857 11.817 11.253 53 HG12 ILE 5 HG12 ILE 5 40.968 11.024 13.314 54 HG13 ILE 5 HG11 ILE 5 40.992 12.477 12.290 55 HG21 ILE 5 HG21 ILE 5 38.025 9.422 11.842 56 HG22 ILE 5 HG22 ILE 5 37.675 10.719 13.006 57 HG23 ILE 5 HG23 ILE 5 39.009 9.581 13.316 58 HD11 ILE 5 HD1 ILE 5 39.090 11.804 14.561 59 HD12 ILE 5 HD2 ILE 5 38.696 13.049 13.351 60 HD13 ILE 5 HD3 ILE 5 40.136 13.230 14.380 61 H GLY 6 HN GLY 6 41.151 9.384 8.564 62 HA2 GLY 6 HA1 GLY 6 40.187 9.083 6.465 63 HA3 GLY 6 HA2 GLY 6 39.027 8.110 7.387 64 H LYS 7 HN LYS 7 39.287 11.549 7.965 65 HA LYS 7 HA LYS 7 36.489 11.929 7.345 66 HB2 LYS 7 HB2 LYS 7 37.893 13.245 9.021 67 HB3 LYS 7 HB1 LYS 7 38.600 14.099 7.628 68 HG2 LYS 7 HG2 LYS 7 36.381 14.874 6.928 69 HG3 LYS 7 HG1 LYS 7 35.613 13.941 8.235 70 HD2 LYS 7 HD2 LYS 7 36.947 15.278 9.898 71 HD3 LYS 7 HD1 LYS 7 37.543 16.280 8.553 72 HE2 LYS 7 HE2 LYS 7 34.663 15.953 9.486 73 HE3 LYS 7 HE1 LYS 7 35.649 17.435 9.505 74 HZ1 LYS 7 HZ1 LYS 7 34.609 17.794 7.557 75 HZ2 LYS 7 HZ2 LYS 7 34.251 16.153 7.298 76 HZ3 LYS 7 HZ3 LYS 7 35.795 16.756 6.930 77 H GLY 8 HN GLY 8 39.536 12.545 5.620 78 HA2 GLY 8 HA1 GLY 8 38.441 12.354 3.051 79 HA3 GLY 8 HA2 GLY 8 38.311 14.069 3.489 80 H VAL 9 HN VAL 9 39.807 13.330 1.320 81 HA VAL 9 HA VAL 9 42.606 12.962 2.045 82 HB VAL 9 HB VAL 9 41.340 13.910 -0.568 83 HG11 VAL 9 HG11 VAL 9 43.579 13.082 -1.493 84 HG12 VAL 9 HG12 VAL 9 44.163 13.052 0.189 85 HG13 VAL 9 HG13 VAL 9 43.652 14.589 -0.550 86 HG21 VAL 9 HG21 VAL 9 40.662 11.623 0.191 87 HG22 VAL 9 HG22 VAL 9 42.382 11.174 0.295 88 HG23 VAL 9 HG23 VAL 9 41.661 11.581 -1.281 89 H LYS 10 HN LYS 10 41.447 15.624 -0.017 90 HA LYS 10 HA LYS 10 42.075 17.718 1.867 91 HB2 LYS 10 HB2 LYS 10 44.392 16.824 1.368 92 HB3 LYS 10 HB1 LYS 10 44.146 17.318 -0.325 93 HG2 LYS 10 HG2 LYS 10 43.737 19.651 0.420 94 HG3 LYS 10 HG1 LYS 10 44.007 19.155 2.108 95 HD2 LYS 10 HD2 LYS 10 46.307 18.377 1.459 96 HD3 LYS 10 HD1 LYS 10 46.028 19.027 -0.174 97 HE2 LYS 10 HE2 LYS 10 45.687 21.282 0.760 98 HE3 LYS 10 HE1 LYS 10 45.904 20.648 2.409 99 HZ1 LYS 10 HZ1 LYS 10 48.041 21.166 2.069 100 HZ2 LYS 10 HZ2 LYS 10 47.877 21.247 0.379 101 HZ3 LYS 10 HZ3 LYS 10 48.108 19.747 1.142 102 H ILE 11 HN ILE 11 41.523 16.531 -1.386 103 HA ILE 11 HA ILE 11 40.183 19.144 -2.054 104 HB ILE 11 HB ILE 11 41.747 17.474 -4.068 105 HG12 ILE 11 HG12 ILE 11 43.205 18.612 -2.246 106 HG13 ILE 11 HG11 ILE 11 43.592 18.964 -3.938 107 HG21 ILE 11 HG21 ILE 11 40.015 18.750 -5.116 108 HG22 ILE 11 HG22 ILE 11 41.530 19.641 -5.395 109 HG23 ILE 11 HG23 ILE 11 40.388 20.195 -4.149 110 HD11 ILE 11 HD1 ILE 11 41.805 20.768 -2.251 111 HD12 ILE 11 HD2 ILE 11 42.542 21.129 -3.827 112 HD13 ILE 11 HD3 ILE 11 43.562 20.982 -2.379 113 H ILE 12 HN ILE 12 40.627 15.697 -2.922 114 HA ILE 12 HA ILE 12 38.020 15.615 -4.274 115 HB ILE 12 HB ILE 12 39.883 13.384 -3.386 116 HG12 ILE 12 HG12 ILE 12 39.611 14.703 -6.132 117 HG13 ILE 12 HG11 ILE 12 40.891 15.089 -4.960 118 HG21 ILE 12 HG21 ILE 12 37.535 13.468 -5.343 119 HG22 ILE 12 HG22 ILE 12 37.651 12.510 -3.849 120 HG23 ILE 12 HG23 ILE 12 38.677 12.109 -5.239 121 HD11 ILE 12 HD1 ILE 12 41.993 13.481 -6.252 122 HD12 ILE 12 HD2 ILE 12 40.502 12.586 -6.612 123 HD13 ILE 12 HD3 ILE 12 41.273 12.425 -5.015 124 H GLY 13 HN GLY 13 38.936 13.030 -2.043 125 HA2 GLY 13 HA1 GLY 13 36.363 12.937 -0.808 126 HA3 GLY 13 HA2 GLY 13 37.859 12.228 -0.152 127 H GLY 14 HN GLY 14 38.778 15.130 -0.805 128 HA2 GLY 14 HA1 GLY 14 38.563 16.137 1.950 129 HA3 GLY 14 HA2 GLY 14 39.468 16.866 0.604 130 H ALA 15 HN ALA 15 37.542 17.143 -1.382 131 HA ALA 15 HA ALA 15 35.894 19.324 -0.161 132 HB1 ALA 15 HB1 ALA 15 37.029 19.658 -2.363 133 HB2 ALA 15 HB2 ALA 15 35.263 19.849 -2.452 134 HB3 ALA 15 HB3 ALA 15 36.024 18.354 -3.043 135 H ALA 16 HN ALA 16 35.544 16.508 0.546 136 HA ALA 16 HA ALA 16 33.743 15.178 1.085 137 HB1 ALA 16 HB1 ALA 16 31.849 16.851 -0.579 138 HB2 ALA 16 HB2 ALA 16 32.483 17.485 0.957 139 HB3 ALA 16 HB3 ALA 16 31.545 15.973 0.938 140 H LEU 17 HN LEU 17 35.513 14.704 -1.111 141 HA LEU 17 HA LEU 17 35.620 13.384 -3.022 142 HB2 LEU 17 HB2 LEU 17 34.159 12.000 -1.227 143 HB3 LEU 17 HB1 LEU 17 32.903 12.178 -2.467 144 HG LEU 17 HG LEU 17 35.699 11.041 -2.970 145 HD11 LEU 17 HD11 LEU 17 34.401 9.553 -1.518 146 HD12 LEU 17 HD12 LEU 17 34.484 8.865 -3.157 147 HD13 LEU 17 HD13 LEU 17 32.997 9.674 -2.606 148 HD21 LEU 17 HD21 LEU 17 34.738 12.019 -4.989 149 HD22 LEU 17 HD22 LEU 17 33.174 11.229 -4.675 150 HD23 LEU 17 HD23 LEU 17 34.597 10.251 -5.101 151 H ASP 18 HN ASP 18 34.883 15.889 -3.617 152 HA ASP 18 HA ASP 18 33.817 17.185 -5.213 153 HB2 ASP 18 HB2 ASP 18 34.803 15.532 -6.745 154 HB3 ASP 18 HB1 ASP 18 33.381 14.480 -6.544 155 H HIS 19 HN HIS 19 31.748 14.334 -5.750 156 HA HIS 19 HA HIS 19 29.568 15.378 -4.119 157 HB2 HIS 19 HB2 HIS 19 29.486 16.927 -6.084 158 HB3 HIS 19 HB1 HIS 19 29.249 15.517 -7.144 159 HD1 HIS 19 HD1 HIS 19 27.692 15.826 -3.687 160 HD2 HIS 19 HD2 HIS 19 26.537 16.101 -7.722 161 HE1 HIS 19 HE1 HIS 19 25.138 15.884 -3.745 162 H LEU 20 HN LEU 20 30.901 12.944 -4.139 163 HA LEU 20 HA LEU 20 28.655 11.143 -4.534 164 HB2 LEU 20 HB2 LEU 20 29.314 11.168 -6.854 165 HB3 LEU 20 HB1 LEU 20 31.031 10.990 -6.430 166 HG LEU 20 HG LEU 20 30.683 8.719 -5.654 167 HD11 LEU 20 HD11 LEU 20 27.735 9.412 -5.949 168 HD12 LEU 20 HD12 LEU 20 28.589 8.791 -4.515 169 HD13 LEU 20 HD13 LEU 20 28.299 7.724 -5.907 170 HD21 LEU 20 HD21 LEU 20 29.122 9.190 -8.234 171 HD22 LEU 20 HD22 LEU 20 29.851 7.647 -7.724 172 HD23 LEU 20 HD23 LEU 20 30.891 9.041 -8.103 Start of MODEL 82 1 H1 TRP 1 HT1 TRP 1 39.204 2.734 14.276 2 H2 TRP 1 HT2 TRP 1 39.682 1.105 14.356 3 H3 TRP 1 HT3 TRP 1 38.045 1.505 14.131 4 HA TRP 1 HA TRP 1 39.981 2.500 12.203 5 HB2 TRP 1 HB2 TRP 1 39.718 0.339 10.928 6 HB3 TRP 1 HB1 TRP 1 40.704 0.202 12.403 7 HD1 TRP 1 HD1 TRP 1 39.496 -0.890 14.571 8 HE1 TRP 1 HE1 TRP 1 37.593 -2.652 14.768 9 HE3 TRP 1 HE3 TRP 1 37.586 -0.548 9.833 10 HZ2 TRP 1 HZ2 TRP 1 35.536 -3.743 13.075 11 HZ3 TRP 1 HZ3 TRP 1 35.653 -1.958 9.146 12 HH2 TRP 1 HH2 TRP 1 34.627 -3.553 10.761 13 H LEU 2 HN LEU 2 38.655 3.960 11.304 14 HA LEU 2 HA LEU 2 35.799 3.642 11.138 15 HB2 LEU 2 HB2 LEU 2 37.816 5.469 9.798 16 HB3 LEU 2 HB1 LEU 2 36.094 5.530 9.358 17 HG LEU 2 HG LEU 2 35.465 6.036 11.658 18 HD11 LEU 2 HD11 LEU 2 38.417 5.537 12.210 19 HD12 LEU 2 HD12 LEU 2 37.004 4.765 12.970 20 HD13 LEU 2 HD13 LEU 2 37.390 6.463 13.331 21 HD21 LEU 2 HD21 LEU 2 36.543 8.234 11.895 22 HD22 LEU 2 HD22 LEU 2 36.223 7.902 10.175 23 HD23 LEU 2 HD23 LEU 2 37.870 7.720 10.825 24 H ARG 3 HN ARG 3 37.644 4.272 8.207 25 HA ARG 3 HA ARG 3 36.815 1.671 7.007 26 HB2 ARG 3 HB2 ARG 3 34.959 3.413 6.666 27 HB3 ARG 3 HB1 ARG 3 36.122 4.315 5.667 28 HG2 ARG 3 HG2 ARG 3 36.365 2.408 4.151 29 HG3 ARG 3 HG1 ARG 3 35.323 1.409 5.191 30 HD2 ARG 3 HD2 ARG 3 33.479 3.112 4.835 31 HD3 ARG 3 HD1 ARG 3 34.524 3.895 3.625 32 HE ARG 3 HE ARG 3 32.994 1.479 3.212 33 HH11 ARG 3 HH11 ARG 3 34.537 3.643 1.421 34 HH12 ARG 3 HH12 ARG 3 35.437 2.550 0.423 35 HH21 ARG 3 HH21 ARG 3 34.785 -0.216 2.409 36 HH22 ARG 3 HH22 ARG 3 35.577 0.364 0.983 37 H ARG 4 HN ARG 4 38.889 4.291 7.454 38 HA ARG 4 HA ARG 4 40.916 3.106 5.734 39 HB2 ARG 4 HB2 ARG 4 39.397 4.542 4.179 40 HB3 ARG 4 HB1 ARG 4 40.102 5.947 5.008 41 HG2 ARG 4 HG2 ARG 4 42.355 5.278 4.329 42 HG3 ARG 4 HG1 ARG 4 41.735 3.763 3.631 43 HD2 ARG 4 HD2 ARG 4 40.486 4.975 1.943 44 HD3 ARG 4 HD1 ARG 4 40.866 6.533 2.713 45 HE ARG 4 HE ARG 4 42.980 6.461 1.657 46 HH11 ARG 4 HH11 ARG 4 41.641 4.652 -0.392 47 HH12 ARG 4 HH12 ARG 4 42.766 3.338 -0.469 48 HH21 ARG 4 HH21 ARG 4 44.385 4.205 2.474 49 HH22 ARG 4 HH22 ARG 4 44.320 3.084 1.154 50 H ILE 5 HN ILE 5 39.902 4.575 8.434 51 HA ILE 5 HA ILE 5 40.987 5.627 10.187 52 HB ILE 5 HB ILE 5 43.621 5.066 8.757 53 HG12 ILE 5 HG12 ILE 5 41.953 3.194 10.504 54 HG13 ILE 5 HG11 ILE 5 42.222 3.010 8.756 55 HG21 ILE 5 HG21 ILE 5 42.949 5.009 11.728 56 HG22 ILE 5 HG22 ILE 5 43.477 6.492 10.899 57 HG23 ILE 5 HG23 ILE 5 44.554 5.079 10.964 58 HD11 ILE 5 HD1 ILE 5 44.230 2.742 11.017 59 HD12 ILE 5 HD2 ILE 5 44.759 3.037 9.343 60 HD13 ILE 5 HD3 ILE 5 43.833 1.570 9.740 61 H GLY 6 HN GLY 6 40.220 7.692 9.833 62 HA2 GLY 6 HA1 GLY 6 40.528 9.974 9.553 63 HA3 GLY 6 HA2 GLY 6 42.237 9.664 9.193 64 H LYS 7 HN LYS 7 38.974 9.276 7.750 65 HA LYS 7 HA LYS 7 39.930 9.146 5.045 66 HB2 LYS 7 HB2 LYS 7 37.586 9.629 4.430 67 HB3 LYS 7 HB1 LYS 7 37.681 8.392 5.707 68 HG2 LYS 7 HG2 LYS 7 37.400 10.328 7.390 69 HG3 LYS 7 HG1 LYS 7 36.947 11.332 5.992 70 HD2 LYS 7 HD2 LYS 7 35.586 8.721 6.793 71 HD3 LYS 7 HD1 LYS 7 34.956 10.349 7.133 72 HE2 LYS 7 HE2 LYS 7 33.820 9.740 5.152 73 HE3 LYS 7 HE1 LYS 7 35.172 10.722 4.542 74 HZ1 LYS 7 HZ1 LYS 7 36.106 8.950 3.572 75 HZ2 LYS 7 HZ2 LYS 7 34.577 8.222 3.722 76 HZ3 LYS 7 HZ3 LYS 7 35.785 7.915 4.878 77 H GLY 8 HN GLY 8 38.602 10.969 3.550 78 HA2 GLY 8 HA1 GLY 8 38.575 13.191 2.861 79 HA3 GLY 8 HA2 GLY 8 39.053 13.689 4.495 80 H VAL 9 HN VAL 9 40.032 13.193 1.255 81 HA VAL 9 HA VAL 9 42.903 12.982 1.804 82 HB VAL 9 HB VAL 9 41.408 13.681 -0.765 83 HG11 VAL 9 HG11 VAL 9 43.670 14.490 -0.956 84 HG12 VAL 9 HG12 VAL 9 43.629 12.919 -1.791 85 HG13 VAL 9 HG13 VAL 9 44.324 13.040 -0.157 86 HG21 VAL 9 HG21 VAL 9 42.713 11.070 0.119 87 HG22 VAL 9 HG22 VAL 9 41.744 11.346 -1.349 88 HG23 VAL 9 HG23 VAL 9 40.968 11.402 0.252 89 H LYS 10 HN LYS 10 41.420 15.437 -0.316 90 HA LYS 10 HA LYS 10 42.087 17.679 1.382 91 HB2 LYS 10 HB2 LYS 10 44.395 16.896 0.744 92 HB3 LYS 10 HB1 LYS 10 43.975 17.209 -0.957 93 HG2 LYS 10 HG2 LYS 10 43.523 19.580 -0.424 94 HG3 LYS 10 HG1 LYS 10 43.910 19.275 1.286 95 HD2 LYS 10 HD2 LYS 10 46.201 18.478 0.530 96 HD3 LYS 10 HD1 LYS 10 45.789 19.063 -1.101 97 HE2 LYS 10 HE2 LYS 10 45.849 20.748 1.441 98 HE3 LYS 10 HE1 LYS 10 47.055 20.783 0.133 99 HZ1 LYS 10 HZ1 LYS 10 45.711 22.471 -0.535 100 HZ2 LYS 10 HZ2 LYS 10 44.315 21.822 0.182 101 HZ3 LYS 10 HZ3 LYS 10 44.886 21.195 -1.290 102 H ILE 11 HN ILE 11 41.272 16.253 -1.704 103 HA ILE 11 HA ILE 11 39.899 18.826 -2.496 104 HB ILE 11 HB ILE 11 41.017 16.767 -4.444 105 HG12 ILE 11 HG12 ILE 11 42.278 19.346 -3.404 106 HG13 ILE 11 HG11 ILE 11 42.900 17.696 -3.171 107 HG21 ILE 11 HG21 ILE 11 39.139 18.413 -5.090 108 HG22 ILE 11 HG22 ILE 11 40.600 18.449 -6.102 109 HG23 ILE 11 HG23 ILE 11 40.339 19.707 -4.869 110 HD11 ILE 11 HD1 ILE 11 44.175 18.539 -4.987 111 HD12 ILE 11 HD2 ILE 11 42.762 19.324 -5.732 112 HD13 ILE 11 HD3 ILE 11 42.923 17.550 -5.773 113 H ILE 12 HN ILE 12 39.998 15.276 -3.068 114 HA ILE 12 HA ILE 12 37.202 15.239 -3.916 115 HB ILE 12 HB ILE 12 39.039 12.990 -3.025 116 HG12 ILE 12 HG12 ILE 12 40.104 14.159 -4.853 117 HG13 ILE 12 HG11 ILE 12 39.431 12.652 -5.506 118 HG21 ILE 12 HG21 ILE 12 36.937 11.967 -3.072 119 HG22 ILE 12 HG22 ILE 12 37.404 11.750 -4.771 120 HG23 ILE 12 HG23 ILE 12 36.295 13.064 -4.313 121 HD11 ILE 12 HD1 ILE 12 38.785 14.258 -7.112 122 HD12 ILE 12 HD2 ILE 12 38.454 15.500 -5.885 123 HD13 ILE 12 HD3 ILE 12 37.334 14.135 -6.094 124 H GLY 13 HN GLY 13 38.182 12.789 -1.598 125 HA2 GLY 13 HA1 GLY 13 35.877 13.042 0.018 126 HA3 GLY 13 HA2 GLY 13 37.422 12.339 0.547 127 H GLY 14 HN GLY 14 38.429 15.060 -0.520 128 HA2 GLY 14 HA1 GLY 14 38.567 16.377 2.101 129 HA3 GLY 14 HA2 GLY 14 39.348 16.899 0.591 130 H ALA 15 HN ALA 15 37.234 17.114 -1.193 131 HA ALA 15 HA ALA 15 35.817 19.478 -0.003 132 HB1 ALA 15 HB1 ALA 15 36.844 19.571 -2.314 133 HB2 ALA 15 HB2 ALA 15 35.114 19.977 -2.248 134 HB3 ALA 15 HB3 ALA 15 35.626 18.377 -2.832 135 H ALA 16 HN ALA 16 35.383 16.757 0.901 136 HA ALA 16 HA ALA 16 33.556 15.559 1.642 137 HB1 ALA 16 HB1 ALA 16 31.393 16.452 1.569 138 HB2 ALA 16 HB2 ALA 16 31.641 17.213 -0.019 139 HB3 ALA 16 HB3 ALA 16 32.401 17.910 1.431 140 H LEU 17 HN LEU 17 35.140 14.723 -0.516 141 HA LEU 17 HA LEU 17 35.060 13.118 -2.199 142 HB2 LEU 17 HB2 LEU 17 33.313 12.150 -0.497 143 HB3 LEU 17 HB1 LEU 17 32.101 12.698 -1.673 144 HG LEU 17 HG LEU 17 33.681 11.404 -3.423 145 HD11 LEU 17 HD11 LEU 17 34.761 9.443 -2.471 146 HD12 LEU 17 HD12 LEU 17 34.178 9.854 -0.841 147 HD13 LEU 17 HD13 LEU 17 35.398 10.877 -1.634 148 HD21 LEU 17 HD21 LEU 17 31.317 10.839 -2.936 149 HD22 LEU 17 HD22 LEU 17 31.823 9.966 -1.470 150 HD23 LEU 17 HD23 LEU 17 32.307 9.367 -3.076 151 H ASP 18 HN ASP 18 34.978 15.632 -3.086 152 HA ASP 18 HA ASP 18 34.530 16.812 -5.019 153 HB2 ASP 18 HB2 ASP 18 34.477 14.397 -6.006 154 HB3 ASP 18 HB1 ASP 18 32.710 14.591 -6.013 155 H HIS 19 HN HIS 19 31.466 14.971 -4.601 156 HA HIS 19 HA HIS 19 30.103 17.341 -3.529 157 HB2 HIS 19 HB2 HIS 19 28.426 17.383 -5.429 158 HB3 HIS 19 HB1 HIS 19 30.042 18.003 -5.844 159 HD1 HIS 19 HD1 HIS 19 31.453 16.702 -7.543 160 HD2 HIS 19 HD2 HIS 19 27.893 14.728 -6.490 161 HE1 HIS 19 HE1 HIS 19 31.145 14.763 -9.179 162 H LEU 20 HN LEU 20 30.676 14.332 -3.164 163 HA LEU 20 HA LEU 20 29.521 12.474 -2.408 164 HB2 LEU 20 HB2 LEU 20 28.897 13.935 -0.592 165 HB3 LEU 20 HB1 LEU 20 27.634 14.710 -1.570 166 HG LEU 20 HG LEU 20 26.288 12.692 -1.571 167 HD11 LEU 20 HD11 LEU 20 27.171 10.680 -0.182 168 HD12 LEU 20 HD12 LEU 20 28.778 11.424 -0.362 169 HD13 LEU 20 HD13 LEU 20 27.863 10.918 -1.803 170 HD21 LEU 20 HD21 LEU 20 25.794 12.498 0.797 171 HD22 LEU 20 HD22 LEU 20 26.298 14.176 0.484 172 HD23 LEU 20 HD23 LEU 20 27.436 13.029 1.233 Start of MODEL 83 1 H1 TRP 1 HT1 TRP 1 46.047 12.942 16.467 2 H2 TRP 1 HT2 TRP 1 46.641 12.744 14.888 3 H3 TRP 1 HT3 TRP 1 47.005 11.597 16.087 4 HA TRP 1 HA TRP 1 45.153 11.196 14.327 5 HB2 TRP 1 HB2 TRP 1 43.985 9.798 16.128 6 HB3 TRP 1 HB1 TRP 1 45.730 9.519 15.927 7 HD1 TRP 1 HD1 TRP 1 43.176 11.025 18.322 8 HE1 TRP 1 HE1 TRP 1 44.300 11.511 20.615 9 HE3 TRP 1 HE3 TRP 1 48.045 10.080 17.052 10 HZ2 TRP 1 HZ2 TRP 1 46.959 11.481 21.719 11 HZ3 TRP 1 HZ3 TRP 1 49.858 10.313 18.742 12 HH2 TRP 1 HH2 TRP 1 49.321 11.012 21.072 13 H LEU 2 HN LEU 2 43.526 12.355 13.542 14 HA LEU 2 HA LEU 2 42.108 14.310 15.205 15 HB2 LEU 2 HB2 LEU 2 41.862 13.347 12.335 16 HB3 LEU 2 HB1 LEU 2 40.667 14.458 13.044 17 HG LEU 2 HG LEU 2 42.461 16.068 13.584 18 HD11 LEU 2 HD11 LEU 2 44.754 15.577 12.463 19 HD12 LEU 2 HD12 LEU 2 44.224 13.877 12.423 20 HD13 LEU 2 HD13 LEU 2 44.386 14.726 13.980 21 HD21 LEU 2 HD21 LEU 2 41.311 16.118 11.357 22 HD22 LEU 2 HD22 LEU 2 42.616 15.106 10.691 23 HD23 LEU 2 HD23 LEU 2 42.974 16.746 11.281 24 H ARG 3 HN ARG 3 40.711 11.828 13.063 25 HA ARG 3 HA ARG 3 39.131 10.683 15.307 26 HB2 ARG 3 HB2 ARG 3 37.852 12.684 14.303 27 HB3 ARG 3 HB1 ARG 3 37.747 11.733 12.806 28 HG2 ARG 3 HG2 ARG 3 35.741 11.104 13.836 29 HG3 ARG 3 HG1 ARG 3 36.817 9.828 14.445 30 HD2 ARG 3 HD2 ARG 3 35.671 10.604 16.375 31 HD3 ARG 3 HD1 ARG 3 37.243 11.429 16.458 32 HE ARG 3 HE ARG 3 35.364 13.066 15.022 33 HH11 ARG 3 HH11 ARG 3 33.486 12.590 17.116 34 HH12 ARG 3 HH12 ARG 3 33.987 13.629 18.408 35 HH21 ARG 3 HH21 ARG 3 37.178 14.108 17.139 36 HH22 ARG 3 HH22 ARG 3 36.078 14.487 18.422 37 H ARG 4 HN ARG 4 40.496 10.711 12.138 38 HA ARG 4 HA ARG 4 40.265 7.749 11.994 39 HB2 ARG 4 HB2 ARG 4 39.233 9.656 9.854 40 HB3 ARG 4 HB1 ARG 4 39.597 7.940 9.553 41 HG2 ARG 4 HG2 ARG 4 38.004 7.337 11.413 42 HG3 ARG 4 HG1 ARG 4 37.561 9.058 11.528 43 HD2 ARG 4 HD2 ARG 4 36.972 8.980 9.062 44 HD3 ARG 4 HD1 ARG 4 37.206 7.218 9.126 45 HE ARG 4 HE ARG 4 34.924 8.687 10.208 46 HH11 ARG 4 HH11 ARG 4 34.978 7.545 12.617 47 HH12 ARG 4 HH12 ARG 4 34.627 5.858 12.445 48 HH21 ARG 4 HH21 ARG 4 35.305 5.793 9.044 49 HH22 ARG 4 HH22 ARG 4 34.811 4.865 10.421 50 H ILE 5 HN ILE 5 42.100 10.373 12.122 51 HA ILE 5 HA ILE 5 44.263 10.860 11.465 52 HB ILE 5 HB ILE 5 44.454 8.022 10.373 53 HG12 ILE 5 HG12 ILE 5 44.693 9.024 13.248 54 HG13 ILE 5 HG11 ILE 5 43.466 7.901 12.618 55 HG21 ILE 5 HG21 ILE 5 46.314 9.772 10.028 56 HG22 ILE 5 HG22 ILE 5 46.798 8.256 10.821 57 HG23 ILE 5 HG23 ILE 5 46.542 9.727 11.792 58 HD11 ILE 5 HD1 ILE 5 45.482 6.410 11.908 59 HD12 ILE 5 HD2 ILE 5 45.075 6.484 13.639 60 HD13 ILE 5 HD3 ILE 5 46.441 7.431 13.007 61 H GLY 6 HN GLY 6 43.802 12.373 9.903 62 HA2 GLY 6 HA1 GLY 6 44.098 13.219 7.750 63 HA3 GLY 6 HA2 GLY 6 44.477 11.585 7.169 64 H LYS 7 HN LYS 7 41.627 13.127 8.720 65 HA LYS 7 HA LYS 7 39.721 11.578 7.272 66 HB2 LYS 7 HB2 LYS 7 39.350 12.977 9.374 67 HB3 LYS 7 HB1 LYS 7 39.278 14.402 8.310 68 HG2 LYS 7 HG2 LYS 7 37.478 13.138 6.975 69 HG3 LYS 7 HG1 LYS 7 37.433 11.979 8.325 70 HD2 LYS 7 HD2 LYS 7 36.927 14.982 8.524 71 HD3 LYS 7 HD1 LYS 7 35.691 13.706 8.610 72 HE2 LYS 7 HE2 LYS 7 37.108 12.756 10.588 73 HE3 LYS 7 HE1 LYS 7 37.882 14.359 10.607 74 HZ1 LYS 7 HZ1 LYS 7 35.499 15.239 10.629 75 HZ2 LYS 7 HZ2 LYS 7 36.101 14.559 12.064 76 HZ3 LYS 7 HZ3 LYS 7 35.043 13.669 11.077 77 H GLY 8 HN GLY 8 39.133 11.590 5.216 78 HA2 GLY 8 HA1 GLY 8 38.790 12.323 3.052 79 HA3 GLY 8 HA2 GLY 8 38.608 13.955 3.723 80 H VAL 9 HN VAL 9 40.012 12.671 1.289 81 HA VAL 9 HA VAL 9 42.819 12.996 1.576 82 HB VAL 9 HB VAL 9 42.629 13.616 -1.000 83 HG11 VAL 9 HG11 VAL 9 41.685 10.985 0.217 84 HG12 VAL 9 HG12 VAL 9 43.338 11.417 -0.284 85 HG13 VAL 9 HG13 VAL 9 42.066 11.195 -1.509 86 HG21 VAL 9 HG21 VAL 9 40.509 13.168 -2.026 87 HG22 VAL 9 HG22 VAL 9 40.145 14.243 -0.656 88 HG23 VAL 9 HG23 VAL 9 39.832 12.498 -0.522 89 H LYS 10 HN LYS 10 41.627 15.228 -0.785 90 HA LYS 10 HA LYS 10 41.877 17.595 0.953 91 HB2 LYS 10 HB2 LYS 10 44.258 16.866 0.440 92 HB3 LYS 10 HB1 LYS 10 43.909 17.196 -1.273 93 HG2 LYS 10 HG2 LYS 10 43.312 19.538 -0.693 94 HG3 LYS 10 HG1 LYS 10 43.696 19.204 1.014 95 HD2 LYS 10 HD2 LYS 10 46.017 18.745 0.469 96 HD3 LYS 10 HD1 LYS 10 45.673 18.844 -1.275 97 HE2 LYS 10 HE2 LYS 10 45.321 21.140 0.702 98 HE3 LYS 10 HE1 LYS 10 46.714 20.940 -0.389 99 HZ1 LYS 10 HZ1 LYS 10 43.980 21.750 -0.983 100 HZ2 LYS 10 HZ2 LYS 10 44.698 20.699 -2.108 101 HZ3 LYS 10 HZ3 LYS 10 45.433 22.185 -1.741 102 H ILE 11 HN ILE 11 41.247 15.994 -2.074 103 HA ILE 11 HA ILE 11 40.051 18.532 -3.197 104 HB ILE 11 HB ILE 11 40.761 16.019 -4.752 105 HG12 ILE 11 HG12 ILE 11 42.470 18.497 -4.229 106 HG13 ILE 11 HG11 ILE 11 42.817 16.844 -3.669 107 HG21 ILE 11 HG21 ILE 11 39.155 17.827 -5.657 108 HG22 ILE 11 HG22 ILE 11 40.554 17.429 -6.678 109 HG23 ILE 11 HG23 ILE 11 40.565 18.911 -5.693 110 HD11 ILE 11 HD1 ILE 11 42.722 16.179 -6.184 111 HD12 ILE 11 HD2 ILE 11 44.147 17.084 -5.621 112 HD13 ILE 11 HD3 ILE 11 42.856 17.926 -6.505 113 H ILE 12 HN ILE 12 39.610 14.968 -3.024 114 HA ILE 12 HA ILE 12 36.745 15.293 -3.758 115 HB ILE 12 HB ILE 12 38.393 12.813 -3.138 116 HG12 ILE 12 HG12 ILE 12 37.503 13.751 -5.905 117 HG13 ILE 12 HG11 ILE 12 39.038 14.300 -5.203 118 HG21 ILE 12 HG21 ILE 12 35.542 13.264 -4.089 119 HG22 ILE 12 HG22 ILE 12 36.156 12.103 -2.889 120 HG23 ILE 12 HG23 ILE 12 36.407 11.804 -4.615 121 HD11 ILE 12 HD1 ILE 12 38.224 11.493 -6.021 122 HD12 ILE 12 HD2 ILE 12 39.518 11.741 -4.826 123 HD13 ILE 12 HD3 ILE 12 39.676 12.412 -6.464 124 H GLY 13 HN GLY 13 37.644 12.676 -1.612 125 HA2 GLY 13 HA1 GLY 13 35.613 13.214 0.284 126 HA3 GLY 13 HA2 GLY 13 37.083 12.263 0.602 127 H GLY 14 HN GLY 14 38.371 14.835 -0.522 128 HA2 GLY 14 HA1 GLY 14 38.984 16.032 2.094 129 HA3 GLY 14 HA2 GLY 14 39.695 16.454 0.522 130 H ALA 15 HN ALA 15 37.533 17.054 -1.073 131 HA ALA 15 HA ALA 15 36.623 19.589 0.243 132 HB1 ALA 15 HB1 ALA 15 35.901 18.569 -2.526 133 HB2 ALA 15 HB2 ALA 15 37.413 19.446 -2.183 134 HB3 ALA 15 HB3 ALA 15 35.843 20.237 -1.914 135 H ALA 16 HN ALA 16 35.834 16.945 1.208 136 HA ALA 16 HA ALA 16 33.920 16.057 2.143 137 HB1 ALA 16 HB1 ALA 16 33.173 18.576 2.066 138 HB2 ALA 16 HB2 ALA 16 31.950 17.307 2.314 139 HB3 ALA 16 HB3 ALA 16 32.150 18.049 0.710 140 H LEU 17 HN LEU 17 35.088 15.002 -0.164 141 HA LEU 17 HA LEU 17 34.557 13.453 -1.810 142 HB2 LEU 17 HB2 LEU 17 32.767 12.862 0.041 143 HB3 LEU 17 HB1 LEU 17 31.617 13.598 -1.094 144 HG LEU 17 HG LEU 17 32.809 12.002 -2.878 145 HD11 LEU 17 HD11 LEU 17 33.487 9.834 -1.829 146 HD12 LEU 17 HD12 LEU 17 33.356 10.589 -0.224 147 HD13 LEU 17 HD13 LEU 17 34.580 11.163 -1.380 148 HD21 LEU 17 HD21 LEU 17 31.177 10.175 -2.252 149 HD22 LEU 17 HD22 LEU 17 30.452 11.800 -2.310 150 HD23 LEU 17 HD23 LEU 17 30.845 11.056 -0.742 151 H ASP 18 HN ASP 18 33.521 16.573 -1.733 152 HA ASP 18 HA ASP 18 32.698 18.045 -3.320 153 HB2 ASP 18 HB2 ASP 18 34.762 17.349 -4.452 154 HB3 ASP 18 HB1 ASP 18 33.909 15.979 -5.201 155 H HIS 19 HN HIS 19 32.281 15.246 -5.467 156 HA HIS 19 HA HIS 19 29.737 15.945 -6.380 157 HB2 HIS 19 HB2 HIS 19 30.724 13.101 -5.942 158 HB3 HIS 19 HB1 HIS 19 29.503 13.643 -7.118 159 HD1 HIS 19 HD1 HIS 19 30.363 15.287 -9.063 160 HD2 HIS 19 HD2 HIS 19 33.381 13.460 -6.776 161 HE1 HIS 19 HE1 HIS 19 32.547 15.507 -10.369 162 H LEU 20 HN LEU 20 30.613 14.764 -3.262 163 HA LEU 20 HA LEU 20 29.334 14.151 -1.429 164 HB2 LEU 20 HB2 LEU 20 28.389 16.456 -1.999 165 HB3 LEU 20 HB1 LEU 20 27.066 15.609 -2.830 166 HG LEU 20 HG LEU 20 26.797 14.297 -0.547 167 HD11 LEU 20 HD11 LEU 20 28.780 15.082 0.622 168 HD12 LEU 20 HD12 LEU 20 27.364 15.802 1.417 169 HD13 LEU 20 HD13 LEU 20 28.354 16.782 0.312 170 HD21 LEU 20 HD21 LEU 20 25.282 16.076 0.300 171 HD22 LEU 20 HD22 LEU 20 25.123 15.864 -1.460 172 HD23 LEU 20 HD23 LEU 20 26.042 17.243 -0.808 Start of MODEL 84 1 H1 TRP 1 HT1 TRP 1 31.932 -0.104 5.960 2 H2 TRP 1 HT2 TRP 1 31.226 -0.036 7.504 3 H3 TRP 1 HT3 TRP 1 32.229 -1.341 7.080 4 HA TRP 1 HA TRP 1 32.959 1.456 7.603 5 HB2 TRP 1 HB2 TRP 1 34.032 -1.184 8.673 6 HB3 TRP 1 HB1 TRP 1 34.470 0.450 9.226 7 HD1 TRP 1 HD1 TRP 1 31.590 -2.073 9.270 8 HE1 TRP 1 HE1 TRP 1 29.876 -1.404 11.107 9 HE3 TRP 1 HE3 TRP 1 33.565 2.456 10.608 10 HZ2 TRP 1 HZ2 TRP 1 29.448 0.809 12.900 11 HZ3 TRP 1 HZ3 TRP 1 32.488 3.829 12.384 12 HH2 TRP 1 HH2 TRP 1 30.434 3.011 13.530 13 H LEU 2 HN LEU 2 34.343 2.343 6.228 14 HA LEU 2 HA LEU 2 35.626 0.918 4.132 15 HB2 LEU 2 HB2 LEU 2 35.284 3.302 3.960 16 HB3 LEU 2 HB1 LEU 2 36.239 3.598 5.427 17 HG LEU 2 HG LEU 2 38.290 2.923 4.322 18 HD11 LEU 2 HD11 LEU 2 38.134 2.313 1.800 19 HD12 LEU 2 HD12 LEU 2 36.412 1.988 2.117 20 HD13 LEU 2 HD13 LEU 2 37.668 1.060 2.973 21 HD21 LEU 2 HD21 LEU 2 38.422 4.611 2.553 22 HD22 LEU 2 HD22 LEU 2 37.411 5.228 3.882 23 HD23 LEU 2 HD23 LEU 2 36.649 4.622 2.391 24 H ARG 3 HN ARG 3 37.494 2.714 6.532 25 HA ARG 3 HA ARG 3 38.876 0.466 7.669 26 HB2 ARG 3 HB2 ARG 3 39.780 0.431 5.269 27 HB3 ARG 3 HB1 ARG 3 40.526 2.007 5.625 28 HG2 ARG 3 HG2 ARG 3 41.718 0.990 7.560 29 HG3 ARG 3 HG1 ARG 3 41.001 -0.588 7.158 30 HD2 ARG 3 HD2 ARG 3 42.056 -0.419 4.875 31 HD3 ARG 3 HD1 ARG 3 42.881 1.061 5.416 32 HE ARG 3 HE ARG 3 44.365 -0.296 6.662 33 HH11 ARG 3 HH11 ARG 3 43.017 -2.369 4.607 34 HH12 ARG 3 HH12 ARG 3 42.946 -3.746 5.655 35 HH21 ARG 3 HH21 ARG 3 43.641 -1.928 8.526 36 HH22 ARG 3 HH22 ARG 3 43.298 -3.496 7.874 37 H ARG 4 HN ARG 4 38.320 3.749 6.940 38 HA ARG 4 HA ARG 4 39.457 4.584 9.548 39 HB2 ARG 4 HB2 ARG 4 40.269 5.889 6.912 40 HB3 ARG 4 HB1 ARG 4 40.672 6.486 8.541 41 HG2 ARG 4 HG2 ARG 4 41.768 4.206 8.966 42 HG3 ARG 4 HG1 ARG 4 41.587 3.898 7.222 43 HD2 ARG 4 HD2 ARG 4 43.804 4.807 7.571 44 HD3 ARG 4 HD1 ARG 4 42.822 6.075 6.800 45 HE ARG 4 HE ARG 4 42.617 6.408 9.620 46 HH11 ARG 4 HH11 ARG 4 43.230 8.851 8.625 47 HH12 ARG 4 HH12 ARG 4 44.950 9.045 8.708 48 HH21 ARG 4 HH21 ARG 4 45.580 5.653 9.065 49 HH22 ARG 4 HH22 ARG 4 46.280 7.235 8.957 50 H ILE 5 HN ILE 5 36.967 4.360 7.503 51 HA ILE 5 HA ILE 5 34.959 5.493 7.305 52 HB ILE 5 HB ILE 5 35.841 7.276 9.615 53 HG12 ILE 5 HG12 ILE 5 34.592 4.489 9.704 54 HG13 ILE 5 HG11 ILE 5 36.251 4.896 10.200 55 HG21 ILE 5 HG21 ILE 5 33.695 7.724 8.257 56 HG22 ILE 5 HG22 ILE 5 33.493 7.533 10.013 57 HG23 ILE 5 HG23 ILE 5 33.081 6.191 8.919 58 HD11 ILE 5 HD1 ILE 5 33.634 5.713 11.506 59 HD12 ILE 5 HD2 ILE 5 35.142 6.608 11.816 60 HD13 ILE 5 HD3 ILE 5 35.027 4.883 12.234 61 H GLY 6 HN GLY 6 35.909 6.263 5.267 62 HA2 GLY 6 HA1 GLY 6 36.305 7.960 3.750 63 HA3 GLY 6 HA2 GLY 6 35.408 9.012 4.862 64 H LYS 7 HN LYS 7 38.606 7.708 4.037 65 HA LYS 7 HA LYS 7 40.173 9.105 5.920 66 HB2 LYS 7 HB2 LYS 7 41.987 8.983 4.220 67 HB3 LYS 7 HB1 LYS 7 41.112 7.441 4.383 68 HG2 LYS 7 HG2 LYS 7 39.675 8.124 2.422 69 HG3 LYS 7 HG1 LYS 7 40.727 9.545 2.211 70 HD2 LYS 7 HD2 LYS 7 42.672 8.119 1.843 71 HD3 LYS 7 HD1 LYS 7 41.719 6.661 2.213 72 HE2 LYS 7 HE2 LYS 7 41.860 6.834 -0.196 73 HE3 LYS 7 HE1 LYS 7 40.201 7.275 0.269 74 HZ1 LYS 7 HZ1 LYS 7 42.237 9.389 0.083 75 HZ2 LYS 7 HZ2 LYS 7 40.561 9.473 -0.183 76 HZ3 LYS 7 HZ3 LYS 7 41.576 8.771 -1.351 77 H GLY 8 HN GLY 8 38.547 10.228 3.005 78 HA2 GLY 8 HA1 GLY 8 38.378 12.337 2.070 79 HA3 GLY 8 HA2 GLY 8 38.399 12.907 3.749 80 H VAL 9 HN VAL 9 40.107 12.649 0.760 81 HA VAL 9 HA VAL 9 42.754 13.231 1.758 82 HB VAL 9 HB VAL 9 42.979 14.187 -0.728 83 HG11 VAL 9 HG11 VAL 9 43.186 11.860 -1.578 84 HG12 VAL 9 HG12 VAL 9 42.334 11.263 -0.135 85 HG13 VAL 9 HG13 VAL 9 43.927 12.040 0.031 86 HG21 VAL 9 HG21 VAL 9 40.389 14.269 -0.882 87 HG22 VAL 9 HG22 VAL 9 40.459 12.498 -1.026 88 HG23 VAL 9 HG23 VAL 9 41.256 13.521 -2.244 89 H LYS 10 HN LYS 10 41.615 15.544 -0.572 90 HA LYS 10 HA LYS 10 41.044 17.651 1.379 91 HB2 LYS 10 HB2 LYS 10 43.611 17.322 1.380 92 HB3 LYS 10 HB1 LYS 10 43.578 17.994 -0.266 93 HG2 LYS 10 HG2 LYS 10 42.257 19.973 0.740 94 HG3 LYS 10 HG1 LYS 10 42.728 19.334 2.332 95 HD2 LYS 10 HD2 LYS 10 45.106 19.495 1.720 96 HD3 LYS 10 HD1 LYS 10 44.664 20.071 0.094 97 HE2 LYS 10 HE2 LYS 10 43.542 22.045 1.107 98 HE3 LYS 10 HE1 LYS 10 44.016 21.477 2.725 99 HZ1 LYS 10 HZ1 LYS 10 46.370 21.489 1.794 100 HZ2 LYS 10 HZ2 LYS 10 45.659 22.999 2.115 101 HZ3 LYS 10 HZ3 LYS 10 45.755 22.423 0.520 102 H ILE 11 HN ILE 11 41.343 16.346 -1.796 103 HA ILE 11 HA ILE 11 40.048 18.807 -2.984 104 HB ILE 11 HB ILE 11 41.639 16.654 -4.418 105 HG12 ILE 11 HG12 ILE 11 42.972 18.169 -2.761 106 HG13 ILE 11 HG11 ILE 11 43.557 18.054 -4.429 107 HG21 ILE 11 HG21 ILE 11 41.659 18.450 -6.234 108 HG22 ILE 11 HG22 ILE 11 40.447 19.321 -5.265 109 HG23 ILE 11 HG23 ILE 11 40.080 17.701 -5.904 110 HD11 ILE 11 HD1 ILE 11 41.728 20.300 -3.474 111 HD12 ILE 11 HD2 ILE 11 42.644 20.213 -4.994 112 HD13 ILE 11 HD3 ILE 11 43.501 20.407 -3.449 113 H ILE 12 HN ILE 12 40.209 15.229 -3.076 114 HA ILE 12 HA ILE 12 37.623 15.173 -4.574 115 HB ILE 12 HB ILE 12 39.491 12.914 -3.746 116 HG12 ILE 12 HG12 ILE 12 39.257 14.390 -6.411 117 HG13 ILE 12 HG11 ILE 12 40.583 14.581 -5.244 118 HG21 ILE 12 HG21 ILE 12 37.274 13.025 -5.853 119 HG22 ILE 12 HG22 ILE 12 37.138 12.226 -4.272 120 HG23 ILE 12 HG23 ILE 12 38.285 11.612 -5.475 121 HD11 ILE 12 HD1 ILE 12 40.792 11.939 -5.486 122 HD12 ILE 12 HD2 ILE 12 41.499 13.005 -6.723 123 HD13 ILE 12 HD3 ILE 12 39.935 12.218 -7.022 124 H GLY 13 HN GLY 13 38.488 12.517 -2.447 125 HA2 GLY 13 HA1 GLY 13 35.976 12.529 -1.101 126 HA3 GLY 13 HA2 GLY 13 37.457 11.730 -0.521 127 H GLY 14 HN GLY 14 38.488 14.629 -1.104 128 HA2 GLY 14 HA1 GLY 14 38.310 15.544 1.700 129 HA3 GLY 14 HA2 GLY 14 39.308 16.230 0.400 130 H ALA 15 HN ALA 15 37.481 16.687 -1.638 131 HA ALA 15 HA ALA 15 36.005 18.992 -0.443 132 HB1 ALA 15 HB1 ALA 15 35.509 19.609 -2.714 133 HB2 ALA 15 HB2 ALA 15 35.997 18.011 -3.318 134 HB3 ALA 15 HB3 ALA 15 37.219 19.126 -2.654 135 H ALA 16 HN ALA 16 35.382 16.216 0.268 136 HA ALA 16 HA ALA 16 33.448 15.086 0.813 137 HB1 ALA 16 HB1 ALA 16 31.744 16.884 -0.924 138 HB2 ALA 16 HB2 ALA 16 32.415 17.499 0.604 139 HB3 ALA 16 HB3 ALA 16 31.342 16.080 0.612 140 H LEU 17 HN LEU 17 35.199 14.387 -1.350 141 HA LEU 17 HA LEU 17 35.190 13.020 -3.244 142 HB2 LEU 17 HB2 LEU 17 33.806 11.675 -1.501 143 HB3 LEU 17 HB1 LEU 17 32.386 12.178 -2.440 144 HG LEU 17 HG LEU 17 33.841 11.264 -4.513 145 HD11 LEU 17 HD11 LEU 17 35.299 9.430 -3.970 146 HD12 LEU 17 HD12 LEU 17 34.829 9.471 -2.253 147 HD13 LEU 17 HD13 LEU 17 35.811 10.785 -2.939 148 HD21 LEU 17 HD21 LEU 17 32.374 9.493 -2.504 149 HD22 LEU 17 HD22 LEU 17 32.789 9.009 -4.166 150 HD23 LEU 17 HD23 LEU 17 31.656 10.354 -3.887 151 H ASP 18 HN ASP 18 34.410 15.685 -3.701 152 HA ASP 18 HA ASP 18 33.375 16.993 -5.314 153 HB2 ASP 18 HB2 ASP 18 33.040 14.372 -6.824 154 HB3 ASP 18 HB1 ASP 18 33.080 16.014 -7.511 155 H HIS 19 HN HIS 19 31.763 15.791 -3.174 156 HA HIS 19 HA HIS 19 29.530 15.536 -2.600 157 HB2 HIS 19 HB2 HIS 19 29.198 17.284 -5.070 158 HB3 HIS 19 HB1 HIS 19 27.916 16.952 -3.882 159 HD1 HIS 19 HD1 HIS 19 31.004 18.979 -4.461 160 HD2 HIS 19 HD2 HIS 19 28.402 18.105 -1.275 161 HE1 HIS 19 HE1 HIS 19 31.518 20.633 -2.582 162 H LEU 20 HN LEU 20 30.028 13.224 -3.313 163 HA LEU 20 HA LEU 20 27.761 12.321 -4.908 164 HB2 LEU 20 HB2 LEU 20 29.174 12.844 -6.790 165 HB3 LEU 20 HB1 LEU 20 30.585 12.089 -6.020 166 HG LEU 20 HG LEU 20 29.627 9.875 -6.256 167 HD11 LEU 20 HD11 LEU 20 27.115 11.399 -7.054 168 HD12 LEU 20 HD12 LEU 20 27.310 10.177 -5.772 169 HD13 LEU 20 HD13 LEU 20 27.347 9.686 -7.481 170 HD21 LEU 20 HD21 LEU 20 29.090 11.444 -8.816 171 HD22 LEU 20 HD22 LEU 20 29.465 9.709 -8.693 172 HD23 LEU 20 HD23 LEU 20 30.700 10.919 -8.269 Start of MODEL 85 1 H1 TRP 1 HT1 TRP 1 41.261 27.460 8.504 2 H2 TRP 1 HT2 TRP 1 42.795 26.841 8.116 3 H3 TRP 1 HT3 TRP 1 42.562 27.699 9.564 4 HA TRP 1 HA TRP 1 42.519 25.026 9.280 5 HB2 TRP 1 HB2 TRP 1 41.046 26.598 11.423 6 HB3 TRP 1 HB1 TRP 1 41.845 25.017 11.584 7 HD1 TRP 1 HD1 TRP 1 44.598 25.083 11.064 8 HE1 TRP 1 HE1 TRP 1 46.350 26.858 11.798 9 HE3 TRP 1 HE3 TRP 1 41.435 28.997 12.005 10 HZ2 TRP 1 HZ2 TRP 1 46.345 29.603 12.672 11 HZ3 TRP 1 HZ3 TRP 1 42.330 31.185 12.788 12 HH2 TRP 1 HH2 TRP 1 44.781 31.491 13.122 13 H LEU 2 HN LEU 2 41.191 23.822 8.075 14 HA LEU 2 HA LEU 2 38.467 24.520 7.494 15 HB2 LEU 2 HB2 LEU 2 40.097 21.970 7.277 16 HB3 LEU 2 HB1 LEU 2 38.366 21.987 6.867 17 HG LEU 2 HG LEU 2 38.726 23.704 5.173 18 HD11 LEU 2 HD11 LEU 2 41.171 24.368 4.673 19 HD12 LEU 2 HD12 LEU 2 41.559 23.725 6.288 20 HD13 LEU 2 HD13 LEU 2 40.430 25.091 6.119 21 HD21 LEU 2 HD21 LEU 2 40.043 22.419 3.593 22 HD22 LEU 2 HD22 LEU 2 39.204 21.263 4.656 23 HD23 LEU 2 HD23 LEU 2 40.931 21.615 4.909 24 H ARG 3 HN ARG 3 39.165 21.393 8.938 25 HA ARG 3 HA ARG 3 37.501 22.038 11.342 26 HB2 ARG 3 HB2 ARG 3 36.026 21.110 9.468 27 HB3 ARG 3 HB1 ARG 3 36.964 19.603 9.593 28 HG2 ARG 3 HG2 ARG 3 36.340 19.372 11.957 29 HG3 ARG 3 HG1 ARG 3 35.475 20.928 11.905 30 HD2 ARG 3 HD2 ARG 3 33.901 20.039 10.248 31 HD3 ARG 3 HD1 ARG 3 34.803 18.505 10.178 32 HE ARG 3 HE ARG 3 32.884 19.254 12.226 33 HH11 ARG 3 HH11 ARG 3 34.094 16.539 11.107 34 HH12 ARG 3 HH12 ARG 3 34.652 15.859 12.599 35 HH21 ARG 3 HH21 ARG 3 34.342 18.824 14.371 36 HH22 ARG 3 HH22 ARG 3 34.794 17.153 14.446 37 H ARG 4 HN ARG 4 40.025 20.466 9.686 38 HA ARG 4 HA ARG 4 41.255 19.554 12.121 39 HB2 ARG 4 HB2 ARG 4 39.378 17.785 11.606 40 HB3 ARG 4 HB1 ARG 4 40.457 17.258 10.299 41 HG2 ARG 4 HG2 ARG 4 41.194 15.877 12.048 42 HG3 ARG 4 HG1 ARG 4 42.305 17.250 12.231 43 HD2 ARG 4 HD2 ARG 4 40.882 18.203 14.001 44 HD3 ARG 4 HD1 ARG 4 39.691 16.901 13.773 45 HE ARG 4 HE ARG 4 42.208 15.688 14.312 46 HH11 ARG 4 HH11 ARG 4 39.444 15.540 15.773 47 HH12 ARG 4 HH12 ARG 4 39.944 15.941 17.381 48 HH21 ARG 4 HH21 ARG 4 43.044 17.148 16.404 49 HH22 ARG 4 HH22 ARG 4 41.981 16.852 17.739 50 H ILE 5 HN ILE 5 41.350 20.812 9.214 51 HA ILE 5 HA ILE 5 43.011 21.127 7.632 52 HB ILE 5 HB ILE 5 44.924 19.706 9.533 53 HG12 ILE 5 HG12 ILE 5 44.018 22.624 9.559 54 HG13 ILE 5 HG11 ILE 5 43.588 21.403 10.778 55 HG21 ILE 5 HG21 ILE 5 45.400 22.077 7.680 56 HG22 ILE 5 HG22 ILE 5 45.607 20.392 7.144 57 HG23 ILE 5 HG23 ILE 5 46.610 21.034 8.464 58 HD11 ILE 5 HD1 ILE 5 46.310 22.613 10.193 59 HD12 ILE 5 HD2 ILE 5 46.155 21.066 11.062 60 HD13 ILE 5 HD3 ILE 5 45.433 22.545 11.738 61 H GLY 6 HN GLY 6 41.965 19.661 6.197 62 HA2 GLY 6 HA1 GLY 6 42.135 17.939 4.651 63 HA3 GLY 6 HA2 GLY 6 43.717 17.521 5.338 64 H LYS 7 HN LYS 7 40.200 17.278 5.950 65 HA LYS 7 HA LYS 7 40.504 15.160 7.908 66 HB2 LYS 7 HB2 LYS 7 38.052 14.886 7.617 67 HB3 LYS 7 HB1 LYS 7 38.511 16.589 7.862 68 HG2 LYS 7 HG2 LYS 7 38.516 16.872 5.348 69 HG3 LYS 7 HG1 LYS 7 37.851 15.225 5.218 70 HD2 LYS 7 HD2 LYS 7 35.902 15.884 6.579 71 HD3 LYS 7 HD1 LYS 7 36.571 17.523 6.763 72 HE2 LYS 7 HE2 LYS 7 34.822 17.315 4.943 73 HE3 LYS 7 HE1 LYS 7 36.391 17.939 4.381 74 HZ1 LYS 7 HZ1 LYS 7 35.819 15.042 4.305 75 HZ2 LYS 7 HZ2 LYS 7 36.916 15.945 3.373 76 HZ3 LYS 7 HZ3 LYS 7 35.248 16.055 3.070 77 H GLY 8 HN GLY 8 41.115 15.208 4.642 78 HA2 GLY 8 HA1 GLY 8 41.275 12.323 4.507 79 HA3 GLY 8 HA2 GLY 8 39.904 12.933 3.561 80 H VAL 9 HN VAL 9 40.394 12.975 1.482 81 HA VAL 9 HA VAL 9 43.088 13.058 0.488 82 HB VAL 9 HB VAL 9 40.497 13.763 -0.963 83 HG11 VAL 9 HG11 VAL 9 42.332 14.510 -2.304 84 HG12 VAL 9 HG12 VAL 9 41.910 12.909 -2.950 85 HG13 VAL 9 HG13 VAL 9 43.321 13.093 -1.882 86 HG21 VAL 9 HG21 VAL 9 40.588 11.379 -1.698 87 HG22 VAL 9 HG22 VAL 9 40.414 11.522 0.068 88 HG23 VAL 9 HG23 VAL 9 41.997 11.122 -0.641 89 H LYS 10 HN LYS 10 41.030 15.479 1.723 90 HA LYS 10 HA LYS 10 41.369 17.746 2.003 91 HB2 LYS 10 HB2 LYS 10 43.862 16.986 2.049 92 HB3 LYS 10 HB1 LYS 10 43.938 17.620 0.389 93 HG2 LYS 10 HG2 LYS 10 42.908 19.791 1.349 94 HG3 LYS 10 HG1 LYS 10 43.304 19.128 2.953 95 HD2 LYS 10 HD2 LYS 10 45.685 18.855 2.191 96 HD3 LYS 10 HD1 LYS 10 45.248 19.667 0.669 97 HE2 LYS 10 HE2 LYS 10 45.151 20.825 3.484 98 HE3 LYS 10 HE1 LYS 10 46.167 21.359 2.125 99 HZ1 LYS 10 HZ1 LYS 10 43.265 21.706 2.530 100 HZ2 LYS 10 HZ2 LYS 10 43.899 21.688 0.954 101 HZ3 LYS 10 HZ3 LYS 10 44.429 22.851 2.074 102 H ILE 11 HN ILE 11 41.502 16.234 -1.109 103 HA ILE 11 HA ILE 11 40.554 18.797 -2.403 104 HB ILE 11 HB ILE 11 41.925 16.484 -3.824 105 HG12 ILE 11 HG12 ILE 11 43.142 19.036 -2.669 106 HG13 ILE 11 HG11 ILE 11 43.496 17.370 -2.155 107 HG21 ILE 11 HG21 ILE 11 40.469 18.219 -5.063 108 HG22 ILE 11 HG22 ILE 11 42.137 18.029 -5.647 109 HG23 ILE 11 HG23 ILE 11 41.706 19.417 -4.620 110 HD11 ILE 11 HD1 ILE 11 45.287 17.913 -3.614 111 HD12 ILE 11 HD2 ILE 11 44.214 18.735 -4.770 112 HD13 ILE 11 HD3 ILE 11 44.184 16.960 -4.633 113 H ILE 12 HN ILE 12 40.368 15.215 -2.437 114 HA ILE 12 HA ILE 12 37.835 15.369 -4.008 115 HB ILE 12 HB ILE 12 39.439 12.981 -3.024 116 HG12 ILE 12 HG12 ILE 12 39.367 14.272 -5.795 117 HG13 ILE 12 HG11 ILE 12 40.675 14.497 -4.613 118 HG21 ILE 12 HG21 ILE 12 38.126 11.796 -4.861 119 HG22 ILE 12 HG22 ILE 12 37.149 13.271 -5.026 120 HG23 ILE 12 HG23 ILE 12 37.132 12.355 -3.505 121 HD11 ILE 12 HD1 ILE 12 40.681 11.797 -4.645 122 HD12 ILE 12 HD2 ILE 12 41.574 12.740 -5.860 123 HD13 ILE 12 HD3 ILE 12 39.982 12.061 -6.261 124 H GLY 13 HN GLY 13 38.409 12.761 -1.704 125 HA2 GLY 13 HA1 GLY 13 35.851 13.039 -0.465 126 HA3 GLY 13 HA2 GLY 13 37.244 12.161 0.210 127 H GLY 14 HN GLY 14 38.536 14.914 -0.498 128 HA2 GLY 14 HA1 GLY 14 38.362 16.010 2.241 129 HA3 GLY 14 HA2 GLY 14 39.434 16.545 0.930 130 H ALA 15 HN ALA 15 37.724 17.058 -1.170 131 HA ALA 15 HA ALA 15 36.387 19.514 -0.123 132 HB1 ALA 15 HB1 ALA 15 36.040 20.083 -2.432 133 HB2 ALA 15 HB2 ALA 15 36.422 18.428 -2.959 134 HB3 ALA 15 HB3 ALA 15 37.700 19.467 -2.281 135 H ALA 16 HN ALA 16 35.526 16.799 0.627 136 HA ALA 16 HA ALA 16 33.481 15.865 1.145 137 HB1 ALA 16 HB1 ALA 16 31.472 17.008 0.809 138 HB2 ALA 16 HB2 ALA 16 31.992 17.693 -0.749 139 HB3 ALA 16 HB3 ALA 16 32.651 18.340 0.772 140 H LEU 17 HN LEU 17 35.250 14.887 -0.862 141 HA LEU 17 HA LEU 17 35.211 13.411 -2.673 142 HB2 LEU 17 HB2 LEU 17 33.572 12.341 -0.959 143 HB3 LEU 17 HB1 LEU 17 32.284 12.924 -2.036 144 HG LEU 17 HG LEU 17 33.777 11.723 -3.929 145 HD11 LEU 17 HD11 LEU 17 34.402 10.015 -1.481 146 HD12 LEU 17 HD12 LEU 17 35.571 11.149 -2.194 147 HD13 LEU 17 HD13 LEU 17 34.968 9.775 -3.150 148 HD21 LEU 17 HD21 LEU 17 31.959 10.299 -1.935 149 HD22 LEU 17 HD22 LEU 17 32.477 9.597 -3.487 150 HD23 LEU 17 HD23 LEU 17 31.481 11.073 -3.466 151 H ASP 18 HN ASP 18 34.729 16.132 -3.277 152 HA ASP 18 HA ASP 18 33.993 17.459 -5.022 153 HB2 ASP 18 HB2 ASP 18 35.093 15.677 -6.362 154 HB3 ASP 18 HB1 ASP 18 33.548 14.799 -6.437 155 H HIS 19 HN HIS 19 31.864 14.682 -5.752 156 HA HIS 19 HA HIS 19 29.554 16.352 -6.046 157 HB2 HIS 19 HB2 HIS 19 29.856 14.071 -7.051 158 HB3 HIS 19 HB1 HIS 19 29.630 13.374 -5.429 159 HD1 HIS 19 HD1 HIS 19 27.280 12.818 -4.813 160 HD2 HIS 19 HD2 HIS 19 27.470 15.855 -7.717 161 HE1 HIS 19 HE1 HIS 19 24.879 13.370 -5.495 162 H LEU 20 HN LEU 20 30.273 13.908 -3.500 163 HA LEU 20 HA LEU 20 29.430 15.680 -1.376 164 HB2 LEU 20 HB2 LEU 20 27.190 15.323 -2.193 165 HB3 LEU 20 HB1 LEU 20 27.464 13.576 -2.359 166 HG LEU 20 HG LEU 20 27.558 13.280 0.044 167 HD11 LEU 20 HD11 LEU 20 27.619 16.323 0.094 168 HD12 LEU 20 HD12 LEU 20 28.770 15.182 0.829 169 HD13 LEU 20 HD13 LEU 20 27.144 15.373 1.522 170 HD21 LEU 20 HD21 LEU 20 25.302 13.524 -1.045 171 HD22 LEU 20 HD22 LEU 20 25.308 15.243 -0.585 172 HD23 LEU 20 HD23 LEU 20 25.306 13.985 0.674 Start of MODEL 86 1 H1 TRP 1 HT1 TRP 1 57.403 10.745 -1.329 2 H2 TRP 1 HT2 TRP 1 57.449 9.358 -0.349 3 H3 TRP 1 HT3 TRP 1 58.469 10.674 -0.014 4 HA TRP 1 HA TRP 1 56.987 11.477 1.339 5 HB2 TRP 1 HB2 TRP 1 55.278 11.525 -1.179 6 HB3 TRP 1 HB1 TRP 1 54.853 12.345 0.343 7 HD1 TRP 1 HD1 TRP 1 56.656 14.222 1.221 8 HE1 TRP 1 HE1 TRP 1 58.144 15.879 -0.124 9 HE3 TRP 1 HE3 TRP 1 56.553 11.886 -3.333 10 HZ2 TRP 1 HZ2 TRP 1 59.136 16.125 -2.816 11 HZ3 TRP 1 HZ3 TRP 1 57.778 12.848 -5.275 12 HH2 TRP 1 HH2 TRP 1 59.069 14.964 -5.021 13 H LEU 2 HN LEU 2 54.666 11.237 2.250 14 HA LEU 2 HA LEU 2 54.324 8.427 2.884 15 HB2 LEU 2 HB2 LEU 2 52.314 10.641 3.421 16 HB3 LEU 2 HB1 LEU 2 52.587 9.149 4.350 17 HG LEU 2 HG LEU 2 54.566 11.457 4.066 18 HD11 LEU 2 HD11 LEU 2 54.047 11.928 6.395 19 HD12 LEU 2 HD12 LEU 2 52.985 10.505 6.492 20 HD13 LEU 2 HD13 LEU 2 52.523 11.893 5.480 21 HD21 LEU 2 HD21 LEU 2 55.850 9.457 4.348 22 HD22 LEU 2 HD22 LEU 2 54.671 8.763 5.486 23 HD23 LEU 2 HD23 LEU 2 55.696 10.129 5.986 24 H ARG 3 HN ARG 3 53.431 10.253 0.221 25 HA ARG 3 HA ARG 3 52.168 9.672 -1.627 26 HB2 ARG 3 HB2 ARG 3 52.685 7.235 -0.786 27 HB3 ARG 3 HB1 ARG 3 51.000 7.249 -0.218 28 HG2 ARG 3 HG2 ARG 3 50.269 7.902 -2.530 29 HG3 ARG 3 HG1 ARG 3 51.957 7.735 -3.073 30 HD2 ARG 3 HD2 ARG 3 51.978 5.374 -2.450 31 HD3 ARG 3 HD1 ARG 3 50.351 5.512 -1.740 32 HE ARG 3 HE ARG 3 49.580 5.086 -3.920 33 HH11 ARG 3 HH11 ARG 3 49.300 6.832 -5.692 34 HH12 ARG 3 HH12 ARG 3 50.718 7.036 -6.663 35 HH21 ARG 3 HH21 ARG 3 52.801 5.383 -4.436 36 HH22 ARG 3 HH22 ARG 3 52.701 6.214 -5.952 37 H ARG 4 HN ARG 4 50.537 9.092 1.509 38 HA ARG 4 HA ARG 4 47.925 9.854 0.482 39 HB2 ARG 4 HB2 ARG 4 48.296 8.381 2.479 40 HB3 ARG 4 HB1 ARG 4 48.905 9.801 3.362 41 HG2 ARG 4 HG2 ARG 4 46.764 10.954 3.071 42 HG3 ARG 4 HG1 ARG 4 46.149 9.618 2.069 43 HD2 ARG 4 HD2 ARG 4 46.178 8.091 3.929 44 HD3 ARG 4 HD1 ARG 4 47.098 9.232 4.937 45 HE ARG 4 HE ARG 4 45.035 10.209 5.505 46 HH11 ARG 4 HH11 ARG 4 44.306 7.746 3.400 47 HH12 ARG 4 HH12 ARG 4 42.869 8.464 2.752 48 HH21 ARG 4 HH21 ARG 4 43.405 11.538 4.264 49 HH22 ARG 4 HH22 ARG 4 42.357 10.611 3.242 50 H ILE 5 HN ILE 5 50.613 11.494 2.111 51 HA ILE 5 HA ILE 5 49.153 13.941 2.617 52 HB ILE 5 HB ILE 5 51.253 13.310 3.827 53 HG12 ILE 5 HG12 ILE 5 52.370 15.541 3.693 54 HG13 ILE 5 HG11 ILE 5 51.440 15.915 2.228 55 HG21 ILE 5 HG21 ILE 5 52.681 14.053 1.244 56 HG22 ILE 5 HG22 ILE 5 52.347 12.372 1.725 57 HG23 ILE 5 HG23 ILE 5 53.396 13.395 2.736 58 HD11 ILE 5 HD1 ILE 5 50.574 16.742 4.604 59 HD12 ILE 5 HD2 ILE 5 49.956 15.079 4.738 60 HD13 ILE 5 HD3 ILE 5 49.413 16.128 3.406 61 H GLY 6 HN GLY 6 51.141 12.692 -0.044 62 HA2 GLY 6 HA1 GLY 6 51.377 15.150 -1.487 63 HA3 GLY 6 HA2 GLY 6 51.508 13.518 -2.173 64 H LYS 7 HN LYS 7 48.844 12.686 -1.335 65 HA LYS 7 HA LYS 7 46.910 14.530 -2.477 66 HB2 LYS 7 HB2 LYS 7 46.359 13.164 -4.484 67 HB3 LYS 7 HB1 LYS 7 47.986 13.880 -4.579 68 HG2 LYS 7 HG2 LYS 7 48.905 11.701 -3.661 69 HG3 LYS 7 HG1 LYS 7 47.273 11.012 -3.837 70 HD2 LYS 7 HD2 LYS 7 47.313 11.580 -6.263 71 HD3 LYS 7 HD1 LYS 7 48.967 12.208 -6.075 72 HE2 LYS 7 HE2 LYS 7 48.964 9.869 -6.925 73 HE3 LYS 7 HE1 LYS 7 49.744 9.988 -5.330 74 HZ1 LYS 7 HZ1 LYS 7 47.798 9.165 -4.282 75 HZ2 LYS 7 HZ2 LYS 7 48.119 8.125 -5.585 76 HZ3 LYS 7 HZ3 LYS 7 46.880 9.281 -5.704 77 H GLY 8 HN GLY 8 44.850 13.943 -1.969 78 HA2 GLY 8 HA1 GLY 8 43.995 11.252 -1.535 79 HA3 GLY 8 HA2 GLY 8 44.459 11.962 0.025 80 H VAL 9 HN VAL 9 42.579 12.298 1.041 81 HA VAL 9 HA VAL 9 40.210 13.243 -0.396 82 HB VAL 9 HB VAL 9 39.183 13.358 1.863 83 HG11 VAL 9 HG11 VAL 9 39.300 11.206 0.598 84 HG12 VAL 9 HG12 VAL 9 39.334 10.956 2.360 85 HG13 VAL 9 HG13 VAL 9 40.837 10.834 1.414 86 HG21 VAL 9 HG21 VAL 9 42.021 12.667 2.742 87 HG22 VAL 9 HG22 VAL 9 40.594 12.514 3.795 88 HG23 VAL 9 HG23 VAL 9 41.081 14.113 3.181 89 H LYS 10 HN LYS 10 42.711 14.917 -0.402 90 HA LYS 10 HA LYS 10 42.017 17.272 1.222 91 HB2 LYS 10 HB2 LYS 10 44.366 16.298 0.210 92 HB3 LYS 10 HB1 LYS 10 43.984 17.487 -1.050 93 HG2 LYS 10 HG2 LYS 10 44.161 18.051 1.950 94 HG3 LYS 10 HG1 LYS 10 45.384 18.485 0.732 95 HD2 LYS 10 HD2 LYS 10 43.447 19.766 -0.458 96 HD3 LYS 10 HD1 LYS 10 42.580 19.601 1.089 97 HE2 LYS 10 HE2 LYS 10 45.265 20.963 0.623 98 HE3 LYS 10 HE1 LYS 10 43.737 21.734 1.108 99 HZ1 LYS 10 HZ1 LYS 10 45.396 19.835 2.681 100 HZ2 LYS 10 HZ2 LYS 10 43.811 20.261 3.118 101 HZ3 LYS 10 HZ3 LYS 10 45.026 21.447 3.055 102 H ILE 11 HN ILE 11 41.171 15.944 -1.826 103 HA ILE 11 HA ILE 11 39.846 18.537 -2.619 104 HB ILE 11 HB ILE 11 41.004 16.520 -4.579 105 HG12 ILE 11 HG12 ILE 11 42.253 19.078 -3.471 106 HG13 ILE 11 HG11 ILE 11 42.865 17.422 -3.257 107 HG21 ILE 11 HG21 ILE 11 40.342 19.472 -4.965 108 HG22 ILE 11 HG22 ILE 11 39.142 18.183 -5.231 109 HG23 ILE 11 HG23 ILE 11 40.621 18.236 -6.215 110 HD11 ILE 11 HD1 ILE 11 42.936 17.322 -5.860 111 HD12 ILE 11 HD2 ILE 11 44.177 18.294 -5.033 112 HD13 ILE 11 HD3 ILE 11 42.780 19.095 -5.790 113 H ILE 12 HN ILE 12 39.961 14.988 -2.799 114 HA ILE 12 HA ILE 12 37.323 14.768 -4.030 115 HB ILE 12 HB ILE 12 39.052 12.773 -2.539 116 HG12 ILE 12 HG12 ILE 12 38.697 13.133 -5.555 117 HG13 ILE 12 HG11 ILE 12 40.034 13.852 -4.632 118 HG21 ILE 12 HG21 ILE 12 36.525 12.468 -4.215 119 HG22 ILE 12 HG22 ILE 12 36.851 11.847 -2.579 120 HG23 ILE 12 HG23 ILE 12 37.646 11.109 -3.980 121 HD11 ILE 12 HD1 ILE 12 41.054 11.870 -5.330 122 HD12 ILE 12 HD2 ILE 12 39.535 10.953 -5.332 123 HD13 ILE 12 HD3 ILE 12 40.359 11.306 -3.795 124 H GLY 13 HN GLY 13 38.177 12.962 -1.106 125 HA2 GLY 13 HA1 GLY 13 35.622 13.434 0.111 126 HA3 GLY 13 HA2 GLY 13 37.074 12.809 0.928 127 H GLY 14 HN GLY 14 38.122 15.336 -0.666 128 HA2 GLY 14 HA1 GLY 14 38.131 17.124 1.696 129 HA3 GLY 14 HA2 GLY 14 39.019 17.346 0.171 130 H ALA 15 HN ALA 15 36.993 17.114 -1.725 131 HA ALA 15 HA ALA 15 35.537 19.687 -1.202 132 HB1 ALA 15 HB1 ALA 15 36.693 19.296 -3.394 133 HB2 ALA 15 HB2 ALA 15 34.947 19.593 -3.556 134 HB3 ALA 15 HB3 ALA 15 35.582 17.937 -3.693 135 H ALA 16 HN ALA 16 35.061 17.170 0.227 136 HA ALA 16 HA ALA 16 33.202 16.113 1.095 137 HB1 ALA 16 HB1 ALA 16 32.075 18.392 0.434 138 HB2 ALA 16 HB2 ALA 16 31.048 16.981 0.782 139 HB3 ALA 16 HB3 ALA 16 31.366 17.456 -0.902 140 H LEU 17 HN LEU 17 34.848 14.870 -0.734 141 HA LEU 17 HA LEU 17 34.855 12.996 -2.105 142 HB2 LEU 17 HB2 LEU 17 31.847 12.772 -1.699 143 HB3 LEU 17 HB1 LEU 17 32.976 11.485 -2.155 144 HG LEU 17 HG LEU 17 33.359 12.951 0.484 145 HD11 LEU 17 HD11 LEU 17 31.002 12.247 0.483 146 HD12 LEU 17 HD12 LEU 17 31.955 11.227 1.586 147 HD13 LEU 17 HD13 LEU 17 31.479 10.605 -0.012 148 HD21 LEU 17 HD21 LEU 17 33.811 10.017 -0.203 149 HD22 LEU 17 HD22 LEU 17 34.525 10.964 1.123 150 HD23 LEU 17 HD23 LEU 17 35.035 11.256 -0.554 151 H ASP 18 HN ASP 18 34.313 15.724 -3.132 152 HA ASP 18 HA ASP 18 33.659 16.752 -5.116 153 HB2 ASP 18 HB2 ASP 18 34.318 13.941 -6.073 154 HB3 ASP 18 HB1 ASP 18 33.974 15.293 -7.178 155 H HIS 19 HN HIS 19 31.550 15.422 -3.455 156 HA HIS 19 HA HIS 19 29.289 14.927 -3.620 157 HB2 HIS 19 HB2 HIS 19 29.478 16.413 -6.270 158 HB3 HIS 19 HB1 HIS 19 28.021 16.171 -5.276 159 HD1 HIS 19 HD1 HIS 19 31.085 18.286 -5.626 160 HD2 HIS 19 HD2 HIS 19 28.106 17.621 -2.734 161 HE1 HIS 19 HE1 HIS 19 31.205 20.212 -3.951 162 H LEU 20 HN LEU 20 30.851 12.810 -4.316 163 HA LEU 20 HA LEU 20 30.548 11.680 -6.863 164 HB2 LEU 20 HB2 LEU 20 31.731 10.837 -4.637 165 HB3 LEU 20 HB1 LEU 20 30.218 9.940 -4.401 166 HG LEU 20 HG LEU 20 32.098 9.776 -6.802 167 HD11 LEU 20 HD11 LEU 20 31.253 7.753 -4.678 168 HD12 LEU 20 HD12 LEU 20 32.840 8.551 -4.787 169 HD13 LEU 20 HD13 LEU 20 32.325 7.415 -6.058 170 HD21 LEU 20 HD21 LEU 20 29.893 9.556 -7.710 171 HD22 LEU 20 HD22 LEU 20 29.323 8.619 -6.307 172 HD23 LEU 20 HD23 LEU 20 30.459 7.890 -7.467 Start of MODEL 87 1 H1 TRP 1 HT1 TRP 1 32.921 14.467 18.928 2 H2 TRP 1 HT2 TRP 1 33.752 15.596 17.967 3 H3 TRP 1 HT3 TRP 1 34.609 14.579 19.025 4 HA TRP 1 HA TRP 1 34.216 12.699 17.767 5 HB2 TRP 1 HB2 TRP 1 32.200 14.434 16.286 6 HB3 TRP 1 HB1 TRP 1 32.700 12.809 15.760 7 HD1 TRP 1 HD1 TRP 1 32.334 10.824 17.697 8 HE1 TRP 1 HE1 TRP 1 30.331 10.479 19.320 9 HE3 TRP 1 HE3 TRP 1 30.367 15.550 17.571 10 HZ2 TRP 1 HZ2 TRP 1 28.183 12.066 20.399 11 HZ3 TRP 1 HZ3 TRP 1 28.342 16.111 18.905 12 HH2 TRP 1 HH2 TRP 1 27.248 14.375 20.318 13 H LEU 2 HN LEU 2 34.649 12.373 15.252 14 HA LEU 2 HA LEU 2 37.129 13.695 14.731 15 HB2 LEU 2 HB2 LEU 2 36.617 11.480 13.832 16 HB3 LEU 2 HB1 LEU 2 35.253 12.136 12.903 17 HG LEU 2 HG LEU 2 36.773 13.451 11.505 18 HD11 LEU 2 HD11 LEU 2 39.325 12.952 11.845 19 HD12 LEU 2 HD12 LEU 2 38.858 12.475 13.496 20 HD13 LEU 2 HD13 LEU 2 38.553 14.133 12.926 21 HD21 LEU 2 HD21 LEU 2 36.355 11.085 10.899 22 HD22 LEU 2 HD22 LEU 2 37.763 10.589 11.869 23 HD23 LEU 2 HD23 LEU 2 37.990 11.592 10.417 24 H ARG 3 HN ARG 3 33.899 14.694 14.342 25 HA ARG 3 HA ARG 3 33.068 16.733 13.613 26 HB2 ARG 3 HB2 ARG 3 35.557 17.519 14.069 27 HB3 ARG 3 HB1 ARG 3 35.690 17.513 12.297 28 HG2 ARG 3 HG2 ARG 3 33.695 19.001 12.156 29 HG3 ARG 3 HG1 ARG 3 33.619 19.043 13.934 30 HD2 ARG 3 HD2 ARG 3 35.976 19.937 13.951 31 HD3 ARG 3 HD1 ARG 3 35.903 20.037 12.177 32 HE ARG 3 HE ARG 3 33.655 21.438 13.047 33 HH11 ARG 3 HH11 ARG 3 34.312 22.801 15.197 34 HH12 ARG 3 HH12 ARG 3 35.555 23.943 14.807 35 HH21 ARG 3 HH21 ARG 3 36.448 22.363 11.853 36 HH22 ARG 3 HH22 ARG 3 36.765 23.693 12.915 37 H ARG 4 HN ARG 4 35.423 15.309 11.305 38 HA ARG 4 HA ARG 4 33.744 16.019 9.007 39 HB2 ARG 4 HB2 ARG 4 36.176 14.205 9.273 40 HB3 ARG 4 HB1 ARG 4 35.411 14.672 7.735 41 HG2 ARG 4 HG2 ARG 4 35.895 17.018 8.130 42 HG3 ARG 4 HG1 ARG 4 36.480 16.666 9.775 43 HD2 ARG 4 HD2 ARG 4 38.371 15.425 8.919 44 HD3 ARG 4 HD1 ARG 4 37.730 15.486 7.260 45 HE ARG 4 HE ARG 4 39.260 17.574 8.554 46 HH11 ARG 4 HH11 ARG 4 38.734 16.933 5.555 47 HH12 ARG 4 HH12 ARG 4 37.982 18.412 5.058 48 HH21 ARG 4 HH21 ARG 4 37.380 19.502 8.295 49 HH22 ARG 4 HH22 ARG 4 37.215 19.866 6.610 50 H ILE 5 HN ILE 5 34.337 13.186 11.051 51 HA ILE 5 HA ILE 5 33.362 11.078 11.052 52 HB ILE 5 HB ILE 5 30.862 12.422 9.942 53 HG12 ILE 5 HG12 ILE 5 32.000 12.577 12.772 54 HG13 ILE 5 HG11 ILE 5 31.808 13.936 11.641 55 HG21 ILE 5 HG21 ILE 5 31.034 9.892 10.473 56 HG22 ILE 5 HG22 ILE 5 29.695 10.785 11.229 57 HG23 ILE 5 HG23 ILE 5 31.143 10.376 12.181 58 HD11 ILE 5 HD1 ILE 5 29.646 12.317 13.030 59 HD12 ILE 5 HD2 ILE 5 29.293 13.291 11.581 60 HD13 ILE 5 HD3 ILE 5 29.904 14.077 13.056 61 H GLY 6 HN GLY 6 34.929 11.273 8.883 62 HA2 GLY 6 HA1 GLY 6 34.053 9.286 7.153 63 HA3 GLY 6 HA2 GLY 6 33.480 10.789 6.405 64 H LYS 7 HN LYS 7 36.131 11.699 8.098 65 HA LYS 7 HA LYS 7 38.263 12.315 7.421 66 HB2 LYS 7 HB2 LYS 7 38.160 9.622 5.999 67 HB3 LYS 7 HB1 LYS 7 39.630 10.560 6.360 68 HG2 LYS 7 HG2 LYS 7 39.350 10.292 8.722 69 HG3 LYS 7 HG1 LYS 7 37.680 9.706 8.536 70 HD2 LYS 7 HD2 LYS 7 39.258 7.842 9.008 71 HD3 LYS 7 HD1 LYS 7 38.497 7.671 7.410 72 HE2 LYS 7 HE2 LYS 7 40.468 8.355 6.269 73 HE3 LYS 7 HE1 LYS 7 41.188 9.048 7.744 74 HZ1 LYS 7 HZ1 LYS 7 40.515 6.181 7.669 75 HZ2 LYS 7 HZ2 LYS 7 41.720 6.987 8.557 76 HZ3 LYS 7 HZ3 LYS 7 41.923 6.718 6.891 77 H GLY 8 HN GLY 8 39.774 12.478 5.382 78 HA2 GLY 8 HA1 GLY 8 38.560 12.562 2.789 79 HA3 GLY 8 HA2 GLY 8 38.477 14.172 3.528 80 H VAL 9 HN VAL 9 39.961 13.277 1.153 81 HA VAL 9 HA VAL 9 42.768 13.107 1.902 82 HB VAL 9 HB VAL 9 41.484 13.829 -0.772 83 HG11 VAL 9 HG11 VAL 9 43.771 14.594 -0.779 84 HG12 VAL 9 HG12 VAL 9 43.763 13.027 -1.623 85 HG13 VAL 9 HG13 VAL 9 44.330 13.129 0.061 86 HG21 VAL 9 HG21 VAL 9 42.679 11.191 0.184 87 HG22 VAL 9 HG22 VAL 9 41.793 11.492 -1.332 88 HG23 VAL 9 HG23 VAL 9 40.937 11.553 0.228 89 H LYS 10 HN LYS 10 41.479 15.588 -0.321 90 HA LYS 10 HA LYS 10 42.043 17.800 1.444 91 HB2 LYS 10 HB2 LYS 10 44.372 17.143 1.118 92 HB3 LYS 10 HB1 LYS 10 44.152 17.110 -0.643 93 HG2 LYS 10 HG2 LYS 10 45.293 19.187 0.145 94 HG3 LYS 10 HG1 LYS 10 43.760 19.537 -0.680 95 HD2 LYS 10 HD2 LYS 10 42.642 20.065 1.344 96 HD3 LYS 10 HD1 LYS 10 43.840 19.207 2.343 97 HE2 LYS 10 HE2 LYS 10 44.441 21.721 0.723 98 HE3 LYS 10 HE1 LYS 10 44.035 21.719 2.456 99 HZ1 LYS 10 HZ1 LYS 10 46.524 21.257 1.265 100 HZ2 LYS 10 HZ2 LYS 10 46.035 19.799 1.986 101 HZ3 LYS 10 HZ3 LYS 10 46.130 21.218 2.914 102 H ILE 11 HN ILE 11 41.285 16.395 -1.636 103 HA ILE 11 HA ILE 11 40.007 18.993 -2.468 104 HB ILE 11 HB ILE 11 41.391 17.128 -4.438 105 HG12 ILE 11 HG12 ILE 11 42.460 19.659 -3.105 106 HG13 ILE 11 HG11 ILE 11 43.104 18.012 -2.909 107 HG21 ILE 11 HG21 ILE 11 41.073 18.916 -5.999 108 HG22 ILE 11 HG22 ILE 11 40.662 20.072 -4.709 109 HG23 ILE 11 HG23 ILE 11 39.527 18.769 -5.133 110 HD11 ILE 11 HD1 ILE 11 44.529 19.000 -4.531 111 HD12 ILE 11 HD2 ILE 11 43.174 19.790 -5.369 112 HD13 ILE 11 HD3 ILE 11 43.395 18.027 -5.496 113 H ILE 12 HN ILE 12 40.304 15.473 -3.096 114 HA ILE 12 HA ILE 12 37.581 15.394 -4.241 115 HB ILE 12 HB ILE 12 39.548 13.196 -3.504 116 HG12 ILE 12 HG12 ILE 12 38.933 14.065 -6.358 117 HG13 ILE 12 HG11 ILE 12 40.089 15.011 -5.395 118 HG21 ILE 12 HG21 ILE 12 37.495 12.050 -3.663 119 HG22 ILE 12 HG22 ILE 12 38.027 11.982 -5.353 120 HG23 ILE 12 HG23 ILE 12 36.824 13.190 -4.852 121 HD11 ILE 12 HD1 ILE 12 41.046 13.094 -6.848 122 HD12 ILE 12 HD2 ILE 12 40.346 11.990 -5.642 123 HD13 ILE 12 HD3 ILE 12 41.577 13.177 -5.153 124 H GLY 13 HN GLY 13 38.685 12.826 -2.090 125 HA2 GLY 13 HA1 GLY 13 36.276 12.752 -0.575 126 HA3 GLY 13 HA2 GLY 13 37.843 12.083 -0.061 127 H GLY 14 HN GLY 14 38.696 14.953 -0.836 128 HA2 GLY 14 HA1 GLY 14 38.690 16.020 1.904 129 HA3 GLY 14 HA2 GLY 14 39.483 16.726 0.477 130 H ALA 15 HN ALA 15 37.452 17.009 -1.360 131 HA ALA 15 HA ALA 15 35.843 19.158 -0.026 132 HB1 ALA 15 HB1 ALA 15 35.797 18.279 -2.935 133 HB2 ALA 15 HB2 ALA 15 36.935 19.487 -2.286 134 HB3 ALA 15 HB3 ALA 15 35.185 19.799 -2.248 135 H ALA 16 HN ALA 16 35.546 16.320 0.610 136 HA ALA 16 HA ALA 16 33.770 14.959 1.178 137 HB1 ALA 16 HB1 ALA 16 31.565 15.742 1.137 138 HB2 ALA 16 HB2 ALA 16 31.805 16.667 -0.364 139 HB3 ALA 16 HB3 ALA 16 32.495 17.259 1.166 140 H LEU 17 HN LEU 17 35.440 14.401 -0.979 141 HA LEU 17 HA LEU 17 35.492 12.948 -2.792 142 HB2 LEU 17 HB2 LEU 17 33.634 11.819 -1.287 143 HB3 LEU 17 HB1 LEU 17 32.519 12.414 -2.535 144 HG LEU 17 HG LEU 17 34.272 11.287 -4.214 145 HD11 LEU 17 HD11 LEU 17 35.250 9.209 -3.227 146 HD12 LEU 17 HD12 LEU 17 34.720 9.742 -1.615 147 HD13 LEU 17 HD13 LEU 17 35.944 10.676 -2.503 148 HD21 LEU 17 HD21 LEU 17 33.000 9.108 -3.978 149 HD22 LEU 17 HD22 LEU 17 31.962 10.552 -4.063 150 HD23 LEU 17 HD23 LEU 17 32.264 9.763 -2.496 151 H ASP 18 HN ASP 18 34.577 15.843 -2.931 152 HA ASP 18 HA ASP 18 33.876 17.315 -4.582 153 HB2 ASP 18 HB2 ASP 18 35.642 16.032 -5.842 154 HB3 ASP 18 HB1 ASP 18 34.350 14.985 -6.479 155 H HIS 19 HN HIS 19 31.948 15.400 -3.276 156 HA HIS 19 HA HIS 19 29.712 14.821 -3.473 157 HB2 HIS 19 HB2 HIS 19 29.486 17.266 -3.729 158 HB3 HIS 19 HB1 HIS 19 29.724 17.106 -5.486 159 HD1 HIS 19 HD1 HIS 19 27.379 17.843 -6.213 160 HD2 HIS 19 HD2 HIS 19 27.348 14.658 -3.462 161 HE1 HIS 19 HE1 HIS 19 24.991 16.945 -6.115 162 H LEU 20 HN LEU 20 30.700 12.830 -4.518 163 HA LEU 20 HA LEU 20 30.548 11.188 -6.149 164 HB2 LEU 20 HB2 LEU 20 28.280 12.783 -7.388 165 HB3 LEU 20 HB1 LEU 20 28.519 11.021 -7.376 166 HG LEU 20 HG LEU 20 27.851 12.798 -4.987 167 HD11 LEU 20 HD11 LEU 20 26.341 10.507 -6.324 168 HD12 LEU 20 HD12 LEU 20 25.976 12.236 -6.538 169 HD13 LEU 20 HD13 LEU 20 25.778 11.476 -4.941 170 HD21 LEU 20 HD21 LEU 20 29.328 11.115 -4.134 171 HD22 LEU 20 HD22 LEU 20 28.633 9.859 -5.187 172 HD23 LEU 20 HD23 LEU 20 27.692 10.496 -3.817 Start of MODEL 88 1 H1 TRP 1 HT1 TRP 1 43.856 10.864 -11.314 2 H2 TRP 1 HT2 TRP 1 42.613 9.783 -10.899 3 H3 TRP 1 HT3 TRP 1 43.638 9.441 -12.210 4 HA TRP 1 HA TRP 1 45.467 9.068 -10.845 5 HB2 TRP 1 HB2 TRP 1 43.678 10.154 -8.637 6 HB3 TRP 1 HB1 TRP 1 45.244 9.355 -8.353 7 HD1 TRP 1 HD1 TRP 1 43.697 12.525 -9.836 8 HE1 TRP 1 HE1 TRP 1 45.541 14.331 -10.151 9 HE3 TRP 1 HE3 TRP 1 47.809 9.689 -8.710 10 HZ2 TRP 1 HZ2 TRP 1 48.409 14.491 -9.934 11 HZ3 TRP 1 HZ3 TRP 1 50.089 10.689 -8.770 12 HH2 TRP 1 HH2 TRP 1 50.392 13.085 -9.381 13 H LEU 2 HN LEU 2 45.682 7.324 -9.052 14 HA LEU 2 HA LEU 2 43.884 5.143 -9.839 15 HB2 LEU 2 HB2 LEU 2 45.976 5.068 -7.638 16 HB3 LEU 2 HB1 LEU 2 45.368 3.726 -8.635 17 HG LEU 2 HG LEU 2 47.022 6.093 -9.623 18 HD11 LEU 2 HD11 LEU 2 47.680 3.125 -9.357 19 HD12 LEU 2 HD12 LEU 2 48.282 4.414 -8.287 20 HD13 LEU 2 HD13 LEU 2 48.760 4.384 -10.002 21 HD21 LEU 2 HD21 LEU 2 45.586 5.469 -11.429 22 HD22 LEU 2 HD22 LEU 2 45.704 3.737 -11.036 23 HD23 LEU 2 HD23 LEU 2 47.099 4.591 -11.738 24 H ARG 3 HN ARG 3 43.795 7.597 -7.511 25 HA ARG 3 HA ARG 3 42.372 7.994 -5.734 26 HB2 ARG 3 HB2 ARG 3 40.886 5.453 -6.472 27 HB3 ARG 3 HB1 ARG 3 40.267 6.875 -5.605 28 HG2 ARG 3 HG2 ARG 3 41.194 6.825 -8.514 29 HG3 ARG 3 HG1 ARG 3 39.510 6.894 -7.955 30 HD2 ARG 3 HD2 ARG 3 40.253 9.037 -6.653 31 HD3 ARG 3 HD1 ARG 3 41.665 9.017 -7.741 32 HE ARG 3 HE ARG 3 39.566 8.787 -9.500 33 HH11 ARG 3 HH11 ARG 3 41.021 11.172 -7.620 34 HH12 ARG 3 HH12 ARG 3 39.826 12.386 -7.928 35 HH21 ARG 3 HH21 ARG 3 37.670 10.223 -9.572 36 HH22 ARG 3 HH22 ARG 3 37.927 11.848 -9.033 37 H ARG 4 HN ARG 4 44.132 5.064 -6.009 38 HA ARG 4 HA ARG 4 43.713 4.448 -3.089 39 HB2 ARG 4 HB2 ARG 4 44.733 2.751 -5.401 40 HB3 ARG 4 HB1 ARG 4 44.754 2.241 -3.694 41 HG2 ARG 4 HG2 ARG 4 42.340 2.393 -3.545 42 HG3 ARG 4 HG1 ARG 4 42.236 3.147 -5.154 43 HD2 ARG 4 HD2 ARG 4 43.198 1.070 -6.157 44 HD3 ARG 4 HD1 ARG 4 43.201 0.317 -4.545 45 HE ARG 4 HE ARG 4 40.925 -0.138 -4.915 46 HH11 ARG 4 HH11 ARG 4 41.339 0.796 -7.831 47 HH12 ARG 4 HH12 ARG 4 40.033 1.921 -7.988 48 HH21 ARG 4 HH21 ARG 4 39.465 2.145 -4.575 49 HH22 ARG 4 HH22 ARG 4 38.972 2.685 -6.147 50 H ILE 5 HN ILE 5 45.876 5.766 -5.409 51 HA ILE 5 HA ILE 5 48.408 5.008 -4.466 52 HB ILE 5 HB ILE 5 47.991 6.509 -6.433 53 HG12 ILE 5 HG12 ILE 5 49.856 7.709 -4.330 54 HG13 ILE 5 HG11 ILE 5 50.244 6.294 -5.335 55 HG21 ILE 5 HG21 ILE 5 47.724 8.745 -4.384 56 HG22 ILE 5 HG22 ILE 5 46.313 7.953 -5.125 57 HG23 ILE 5 HG23 ILE 5 47.475 8.833 -6.143 58 HD11 ILE 5 HD1 ILE 5 49.812 9.170 -6.212 59 HD12 ILE 5 HD2 ILE 5 49.723 7.819 -7.368 60 HD13 ILE 5 HD3 ILE 5 51.231 8.133 -6.478 61 H GLY 6 HN GLY 6 46.012 7.130 -3.013 62 HA2 GLY 6 HA1 GLY 6 47.026 6.942 -0.409 63 HA3 GLY 6 HA2 GLY 6 47.797 8.376 -1.115 64 H LYS 7 HN LYS 7 44.755 7.676 -2.475 65 HA LYS 7 HA LYS 7 42.724 8.771 -2.350 66 HB2 LYS 7 HB2 LYS 7 43.339 9.083 0.614 67 HB3 LYS 7 HB1 LYS 7 41.739 9.093 -0.166 68 HG2 LYS 7 HG2 LYS 7 42.224 6.745 -0.993 69 HG3 LYS 7 HG1 LYS 7 43.680 6.755 0.030 70 HD2 LYS 7 HD2 LYS 7 42.266 7.211 2.024 71 HD3 LYS 7 HD1 LYS 7 40.815 7.158 0.995 72 HE2 LYS 7 HE2 LYS 7 41.435 4.817 0.324 73 HE3 LYS 7 HE1 LYS 7 42.782 4.881 1.486 74 HZ1 LYS 7 HZ1 LYS 7 40.829 5.637 3.071 75 HZ2 LYS 7 HZ2 LYS 7 41.176 3.995 2.803 76 HZ3 LYS 7 HZ3 LYS 7 39.896 4.743 1.974 77 H GLY 8 HN GLY 8 44.326 10.570 0.304 78 HA2 GLY 8 HA1 GLY 8 44.907 12.806 0.452 79 HA3 GLY 8 HA2 GLY 8 44.981 12.853 -1.322 80 H VAL 9 HN VAL 9 42.600 12.687 1.357 81 HA VAL 9 HA VAL 9 40.512 13.906 -0.286 82 HB VAL 9 HB VAL 9 39.272 14.037 1.921 83 HG11 VAL 9 HG11 VAL 9 39.000 11.603 2.107 84 HG12 VAL 9 HG12 VAL 9 40.548 11.343 1.269 85 HG13 VAL 9 HG13 VAL 9 39.172 12.056 0.394 86 HG21 VAL 9 HG21 VAL 9 41.367 14.274 3.315 87 HG22 VAL 9 HG22 VAL 9 41.737 12.568 2.964 88 HG23 VAL 9 HG23 VAL 9 40.274 12.991 3.884 89 H LYS 10 HN LYS 10 43.010 15.425 -0.085 90 HA LYS 10 HA LYS 10 42.412 17.712 1.684 91 HB2 LYS 10 HB2 LYS 10 44.494 17.605 -0.524 92 HB3 LYS 10 HB1 LYS 10 44.504 18.582 0.965 93 HG2 LYS 10 HG2 LYS 10 44.753 15.545 0.785 94 HG3 LYS 10 HG1 LYS 10 46.048 16.691 1.204 95 HD2 LYS 10 HD2 LYS 10 44.505 17.461 3.141 96 HD3 LYS 10 HD1 LYS 10 43.560 15.989 2.809 97 HE2 LYS 10 HE2 LYS 10 45.141 15.414 4.529 98 HE3 LYS 10 HE1 LYS 10 45.739 14.677 3.022 99 HZ1 LYS 10 HZ1 LYS 10 47.615 15.711 3.777 100 HZ2 LYS 10 HZ2 LYS 10 46.774 16.989 4.516 101 HZ3 LYS 10 HZ3 LYS 10 46.973 16.961 2.829 102 H ILE 11 HN ILE 11 41.459 16.638 -1.386 103 HA ILE 11 HA ILE 11 40.381 19.362 -2.047 104 HB ILE 11 HB ILE 11 41.610 17.519 -4.133 105 HG12 ILE 11 HG12 ILE 11 42.838 19.937 -2.727 106 HG13 ILE 11 HG11 ILE 11 43.395 18.252 -2.601 107 HG21 ILE 11 HG21 ILE 11 41.363 19.395 -5.611 108 HG22 ILE 11 HG22 ILE 11 41.030 20.509 -4.263 109 HG23 ILE 11 HG23 ILE 11 39.825 19.285 -4.727 110 HD11 ILE 11 HD1 ILE 11 43.526 20.114 -4.997 111 HD12 ILE 11 HD2 ILE 11 43.643 18.348 -5.193 112 HD13 ILE 11 HD3 ILE 11 44.845 19.217 -4.212 113 H ILE 12 HN ILE 12 40.411 15.853 -2.596 114 HA ILE 12 HA ILE 12 37.845 15.843 -3.990 115 HB ILE 12 HB ILE 12 39.408 13.646 -2.597 116 HG12 ILE 12 HG12 ILE 12 39.275 14.230 -5.594 117 HG13 ILE 12 HG11 ILE 12 40.531 14.927 -4.548 118 HG21 ILE 12 HG21 ILE 12 38.054 12.169 -4.230 119 HG22 ILE 12 HG22 ILE 12 37.040 13.600 -4.521 120 HG23 ILE 12 HG23 ILE 12 37.134 12.890 -2.894 121 HD11 ILE 12 HD1 ILE 12 41.589 12.989 -5.359 122 HD12 ILE 12 HD2 ILE 12 40.097 12.029 -5.329 123 HD13 ILE 12 HD3 ILE 12 40.938 12.413 -3.809 124 H GLY 13 HN GLY 13 38.473 13.736 -1.206 125 HA2 GLY 13 HA1 GLY 13 35.865 14.145 -0.083 126 HA3 GLY 13 HA2 GLY 13 37.269 13.433 0.747 127 H GLY 14 HN GLY 14 38.477 16.048 -0.522 128 HA2 GLY 14 HA1 GLY 14 38.360 17.613 1.985 129 HA3 GLY 14 HA2 GLY 14 39.356 17.949 0.550 130 H ALA 15 HN ALA 15 37.429 17.953 -1.479 131 HA ALA 15 HA ALA 15 36.061 20.536 -0.832 132 HB1 ALA 15 HB1 ALA 15 37.261 20.277 -2.998 133 HB2 ALA 15 HB2 ALA 15 35.525 20.596 -3.216 134 HB3 ALA 15 HB3 ALA 15 36.157 18.948 -3.429 135 H ALA 16 HN ALA 16 35.401 17.940 0.391 136 HA ALA 16 HA ALA 16 33.435 16.999 1.160 137 HB1 ALA 16 HB1 ALA 16 31.761 18.411 -0.928 138 HB2 ALA 16 HB2 ALA 16 32.438 19.332 0.436 139 HB3 ALA 16 HB3 ALA 16 31.345 17.961 0.743 140 H LEU 17 HN LEU 17 35.187 15.851 -0.801 141 HA LEU 17 HA LEU 17 35.178 14.101 -2.339 142 HB2 LEU 17 HB2 LEU 17 33.420 13.435 -0.323 143 HB3 LEU 17 HB1 LEU 17 32.359 13.266 -1.734 144 HG LEU 17 HG LEU 17 35.090 11.927 -1.414 145 HD11 LEU 17 HD11 LEU 17 32.274 10.768 -1.257 146 HD12 LEU 17 HD12 LEU 17 33.342 11.054 0.138 147 HD13 LEU 17 HD13 LEU 17 33.796 9.860 -1.102 148 HD21 LEU 17 HD21 LEU 17 34.250 10.588 -3.396 149 HD22 LEU 17 HD22 LEU 17 34.576 12.297 -3.762 150 HD23 LEU 17 HD23 LEU 17 32.901 11.738 -3.532 151 H ASP 18 HN ASP 18 33.822 16.813 -2.935 152 HA ASP 18 HA ASP 18 32.768 17.794 -4.746 153 HB2 ASP 18 HB2 ASP 18 34.578 16.622 -5.969 154 HB3 ASP 18 HB1 ASP 18 33.522 15.204 -6.156 155 H HIS 19 HN HIS 19 31.945 14.446 -5.678 156 HA HIS 19 HA HIS 19 29.271 14.974 -6.327 157 HB2 HIS 19 HB2 HIS 19 30.456 12.863 -6.857 158 HB3 HIS 19 HB1 HIS 19 30.396 12.407 -5.137 159 HD1 HIS 19 HD1 HIS 19 28.595 10.723 -4.784 160 HD2 HIS 19 HD2 HIS 19 27.503 13.608 -7.640 161 HE1 HIS 19 HE1 HIS 19 26.188 10.230 -5.484 162 H LEU 20 HN LEU 20 30.389 13.417 -3.278 163 HA LEU 20 HA LEU 20 28.638 15.048 -1.651 164 HB2 LEU 20 HB2 LEU 20 27.009 13.462 -2.837 165 HB3 LEU 20 HB1 LEU 20 27.792 12.144 -1.937 166 HG LEU 20 HG LEU 20 27.321 13.675 0.188 167 HD11 LEU 20 HD11 LEU 20 25.293 14.712 -1.848 168 HD12 LEU 20 HD12 LEU 20 26.506 15.668 -0.965 169 HD13 LEU 20 HD13 LEU 20 25.148 14.929 -0.091 170 HD21 LEU 20 HD21 LEU 20 25.104 12.185 -1.290 171 HD22 LEU 20 HD22 LEU 20 25.083 12.610 0.439 172 HD23 LEU 20 HD23 LEU 20 26.297 11.466 -0.182 Start of MODEL 89 1 H1 TRP 1 HT1 TRP 1 32.763 19.083 12.474 2 H2 TRP 1 HT2 TRP 1 31.406 19.317 11.479 3 H3 TRP 1 HT3 TRP 1 32.313 20.650 12.010 4 HA TRP 1 HA TRP 1 32.982 20.378 9.849 5 HB2 TRP 1 HB2 TRP 1 34.965 18.728 11.459 6 HB3 TRP 1 HB1 TRP 1 35.298 19.738 10.032 7 HD1 TRP 1 HD1 TRP 1 34.576 19.937 13.767 8 HE1 TRP 1 HE1 TRP 1 35.056 22.342 14.633 9 HE3 TRP 1 HE3 TRP 1 35.366 22.266 9.278 10 HZ2 TRP 1 HZ2 TRP 1 35.692 24.912 13.499 11 HZ3 TRP 1 HZ3 TRP 1 35.909 24.695 9.193 12 HH2 TRP 1 HH2 TRP 1 36.072 26.018 11.298 13 H LEU 2 HN LEU 2 34.022 18.896 8.198 14 HA LEU 2 HA LEU 2 32.256 16.608 7.833 15 HB2 LEU 2 HB2 LEU 2 34.771 17.171 6.227 16 HB3 LEU 2 HB1 LEU 2 33.258 16.398 5.695 17 HG LEU 2 HG LEU 2 33.635 19.327 6.462 18 HD11 LEU 2 HD11 LEU 2 34.505 18.633 4.221 19 HD12 LEU 2 HD12 LEU 2 33.119 19.744 4.100 20 HD13 LEU 2 HD13 LEU 2 32.891 18.001 3.818 21 HD21 LEU 2 HD21 LEU 2 31.162 17.686 5.773 22 HD22 LEU 2 HD22 LEU 2 31.208 19.457 5.588 23 HD23 LEU 2 HD23 LEU 2 31.432 18.723 7.193 24 H ARG 3 HN ARG 3 35.197 17.121 9.472 25 HA ARG 3 HA ARG 3 36.503 15.644 10.681 26 HB2 ARG 3 HB2 ARG 3 34.223 14.301 10.746 27 HB3 ARG 3 HB1 ARG 3 35.028 13.236 9.576 28 HG2 ARG 3 HG2 ARG 3 35.662 12.199 11.575 29 HG3 ARG 3 HG1 ARG 3 37.030 13.311 11.353 30 HD2 ARG 3 HD2 ARG 3 35.815 14.983 12.819 31 HD3 ARG 3 HD1 ARG 3 34.583 13.738 13.126 32 HE ARG 3 HE ARG 3 37.204 12.691 13.703 33 HH11 ARG 3 HH11 ARG 3 37.230 15.415 15.033 34 HH12 ARG 3 HH12 ARG 3 36.600 15.037 16.601 35 HH21 ARG 3 HH21 ARG 3 35.335 11.953 15.643 36 HH22 ARG 3 HH22 ARG 3 35.527 13.078 16.948 37 H ARG 4 HN ARG 4 35.671 14.684 7.357 38 HA ARG 4 HA ARG 4 38.194 13.263 6.954 39 HB2 ARG 4 HB2 ARG 4 36.154 14.313 4.951 40 HB3 ARG 4 HB1 ARG 4 37.479 13.179 4.594 41 HG2 ARG 4 HG2 ARG 4 36.523 11.615 6.326 42 HG3 ARG 4 HG1 ARG 4 35.134 12.717 6.485 43 HD2 ARG 4 HD2 ARG 4 34.788 12.476 3.974 44 HD3 ARG 4 HD1 ARG 4 36.007 11.178 4.007 45 HE ARG 4 HE ARG 4 33.265 10.908 4.842 46 HH11 ARG 4 HH11 ARG 4 33.192 9.931 7.143 47 HH12 ARG 4 HH12 ARG 4 34.198 8.531 7.309 48 HH21 ARG 4 HH21 ARG 4 35.998 9.152 4.411 49 HH22 ARG 4 HH22 ARG 4 35.785 8.089 5.762 50 H ILE 5 HN ILE 5 37.061 16.553 6.733 51 HA ILE 5 HA ILE 5 38.862 17.617 4.836 52 HB ILE 5 HB ILE 5 37.010 18.917 5.882 53 HG12 ILE 5 HG12 ILE 5 38.240 21.051 6.230 54 HG13 ILE 5 HG11 ILE 5 39.771 20.159 6.345 55 HG21 ILE 5 HG21 ILE 5 37.464 17.969 8.204 56 HG22 ILE 5 HG22 ILE 5 37.150 19.720 8.145 57 HG23 ILE 5 HG23 ILE 5 38.817 19.120 8.323 58 HD11 ILE 5 HD1 ILE 5 38.016 19.793 3.894 59 HD12 ILE 5 HD2 ILE 5 39.782 19.621 4.050 60 HD13 ILE 5 HD3 ILE 5 39.045 21.238 4.033 61 H GLY 6 HN GLY 6 39.298 16.854 8.284 62 HA2 GLY 6 HA1 GLY 6 41.990 17.979 8.382 63 HA3 GLY 6 HA2 GLY 6 41.197 16.993 9.625 64 H LYS 7 HN LYS 7 40.644 15.107 7.141 65 HA LYS 7 HA LYS 7 43.267 14.059 6.484 66 HB2 LYS 7 HB2 LYS 7 43.030 13.398 8.926 67 HB3 LYS 7 HB1 LYS 7 41.648 12.388 8.442 68 HG2 LYS 7 HG2 LYS 7 43.132 11.199 6.812 69 HG3 LYS 7 HG1 LYS 7 44.509 12.156 7.410 70 HD2 LYS 7 HD2 LYS 7 43.971 11.278 9.740 71 HD3 LYS 7 HD1 LYS 7 42.819 10.161 8.972 72 HE2 LYS 7 HE2 LYS 7 45.822 10.324 8.481 73 HE3 LYS 7 HE1 LYS 7 44.931 8.991 9.252 74 HZ1 LYS 7 HZ1 LYS 7 45.197 8.284 7.075 75 HZ2 LYS 7 HZ2 LYS 7 44.933 9.827 6.415 76 HZ3 LYS 7 HZ3 LYS 7 43.632 8.939 7.053 77 H GLY 8 HN GLY 8 42.723 13.702 4.409 78 HA2 GLY 8 HA1 GLY 8 41.012 11.457 3.796 79 HA3 GLY 8 HA2 GLY 8 40.204 12.990 3.415 80 H VAL 9 HN VAL 9 41.017 14.341 1.784 81 HA VAL 9 HA VAL 9 43.309 13.319 0.171 82 HB VAL 9 HB VAL 9 40.604 13.889 -1.119 83 HG11 VAL 9 HG11 VAL 9 42.481 14.238 -2.620 84 HG12 VAL 9 HG12 VAL 9 41.730 12.682 -3.043 85 HG13 VAL 9 HG13 VAL 9 43.242 12.714 -2.105 86 HG21 VAL 9 HG21 VAL 9 40.348 11.878 0.228 87 HG22 VAL 9 HG22 VAL 9 41.907 11.241 -0.348 88 HG23 VAL 9 HG23 VAL 9 40.535 11.384 -1.471 89 H LYS 10 HN LYS 10 41.259 15.779 1.379 90 HA LYS 10 HA LYS 10 41.499 18.073 1.382 91 HB2 LYS 10 HB2 LYS 10 44.021 17.409 1.326 92 HB3 LYS 10 HB1 LYS 10 43.951 17.857 -0.388 93 HG2 LYS 10 HG2 LYS 10 44.691 19.808 0.795 94 HG3 LYS 10 HG1 LYS 10 43.007 20.110 0.319 95 HD2 LYS 10 HD2 LYS 10 42.202 19.941 2.524 96 HD3 LYS 10 HD1 LYS 10 43.540 18.896 3.050 97 HE2 LYS 10 HE2 LYS 10 43.674 21.219 3.986 98 HE3 LYS 10 HE1 LYS 10 45.090 20.789 2.997 99 HZ1 LYS 10 HZ1 LYS 10 42.729 22.337 2.047 100 HZ2 LYS 10 HZ2 LYS 10 44.107 21.953 1.131 101 HZ3 LYS 10 HZ3 LYS 10 44.234 23.000 2.463 102 H ILE 11 HN ILE 11 41.299 16.210 -1.458 103 HA ILE 11 HA ILE 11 40.297 18.595 -3.021 104 HB ILE 11 HB ILE 11 41.449 16.041 -4.201 105 HG12 ILE 11 HG12 ILE 11 42.830 18.694 -3.585 106 HG13 ILE 11 HG11 ILE 11 43.211 17.110 -2.872 107 HG21 ILE 11 HG21 ILE 11 39.903 17.609 -5.544 108 HG22 ILE 11 HG22 ILE 11 41.498 17.285 -6.256 109 HG23 ILE 11 HG23 ILE 11 41.194 18.826 -5.417 110 HD11 ILE 11 HD1 ILE 11 43.664 18.063 -5.719 111 HD12 ILE 11 HD2 ILE 11 43.615 16.326 -5.325 112 HD13 ILE 11 HD3 ILE 11 44.841 17.377 -4.577 113 H ILE 12 HN ILE 12 40.037 15.054 -2.538 114 HA ILE 12 HA ILE 12 37.307 15.102 -3.761 115 HB ILE 12 HB ILE 12 39.044 12.802 -2.794 116 HG12 ILE 12 HG12 ILE 12 40.166 13.922 -4.629 117 HG13 ILE 12 HG11 ILE 12 39.480 12.407 -5.247 118 HG21 ILE 12 HG21 ILE 12 37.379 11.616 -4.572 119 HG22 ILE 12 HG22 ILE 12 36.315 12.957 -4.091 120 HG23 ILE 12 HG23 ILE 12 36.927 11.824 -2.866 121 HD11 ILE 12 HD1 ILE 12 38.881 13.966 -6.913 122 HD12 ILE 12 HD2 ILE 12 38.563 15.258 -5.734 123 HD13 ILE 12 HD3 ILE 12 37.415 13.910 -5.910 124 H GLY 13 HN GLY 13 38.101 12.643 -1.402 125 HA2 GLY 13 HA1 GLY 13 35.801 13.089 0.181 126 HA3 GLY 13 HA2 GLY 13 37.274 12.261 0.732 127 H GLY 14 HN GLY 14 38.485 14.930 -0.328 128 HA2 GLY 14 HA1 GLY 14 38.596 16.246 2.320 129 HA3 GLY 14 HA2 GLY 14 39.548 16.649 0.875 130 H ALA 15 HN ALA 15 37.655 17.022 -1.092 131 HA ALA 15 HA ALA 15 36.404 19.558 -0.106 132 HB1 ALA 15 HB1 ALA 15 37.645 19.285 -2.354 133 HB2 ALA 15 HB2 ALA 15 36.059 20.093 -2.387 134 HB3 ALA 15 HB3 ALA 15 36.202 18.397 -2.904 135 H ALA 16 HN ALA 16 35.622 16.837 0.759 136 HA ALA 16 HA ALA 16 33.611 15.904 1.424 137 HB1 ALA 16 HB1 ALA 16 31.575 17.027 1.183 138 HB2 ALA 16 HB2 ALA 16 31.998 17.680 -0.417 139 HB3 ALA 16 HB3 ALA 16 32.739 18.365 1.048 140 H LEU 17 HN LEU 17 35.189 14.698 -0.441 141 HA LEU 17 HA LEU 17 35.078 13.048 -2.071 142 HB2 LEU 17 HB2 LEU 17 32.048 13.164 -1.823 143 HB3 LEU 17 HB1 LEU 17 33.027 11.821 -2.439 144 HG LEU 17 HG LEU 17 33.471 12.814 0.403 145 HD11 LEU 17 HD11 LEU 17 31.805 11.148 1.189 146 HD12 LEU 17 HD12 LEU 17 31.324 10.846 -0.499 147 HD13 LEU 17 HD13 LEU 17 31.043 12.443 0.236 148 HD21 LEU 17 HD21 LEU 17 34.279 10.571 0.763 149 HD22 LEU 17 HD22 LEU 17 34.979 11.099 -0.783 150 HD23 LEU 17 HD23 LEU 17 33.583 10.000 -0.770 151 H ASP 18 HN ASP 18 34.042 16.120 -2.469 152 HA ASP 18 HA ASP 18 33.527 17.427 -4.319 153 HB2 ASP 18 HB2 ASP 18 35.762 16.582 -4.986 154 HB3 ASP 18 HB1 ASP 18 34.987 15.197 -5.791 155 H HIS 19 HN HIS 19 31.388 15.887 -3.521 156 HA HIS 19 HA HIS 19 29.360 15.057 -4.283 157 HB2 HIS 19 HB2 HIS 19 29.455 17.227 -5.549 158 HB3 HIS 19 HB1 HIS 19 30.156 16.341 -6.924 159 HD1 HIS 19 HD1 HIS 19 27.408 14.987 -4.651 160 HD2 HIS 19 HD2 HIS 19 27.856 16.478 -8.557 161 HE1 HIS 19 HE1 HIS 19 25.233 14.506 -5.904 162 H LEU 20 HN LEU 20 31.671 13.332 -4.451 163 HA LEU 20 HA LEU 20 30.523 11.286 -6.163 164 HB2 LEU 20 HB2 LEU 20 31.936 12.925 -7.692 165 HB3 LEU 20 HB1 LEU 20 33.331 12.077 -6.997 166 HG LEU 20 HG LEU 20 30.995 10.811 -8.502 167 HD11 LEU 20 HD11 LEU 20 32.665 12.015 -9.901 168 HD12 LEU 20 HD12 LEU 20 32.724 10.256 -10.169 169 HD13 LEU 20 HD13 LEU 20 33.964 11.046 -9.165 170 HD21 LEU 20 HD21 LEU 20 31.629 9.201 -6.858 171 HD22 LEU 20 HD22 LEU 20 33.355 9.618 -6.991 172 HD23 LEU 20 HD23 LEU 20 32.547 8.734 -8.307 Start of MODEL 90 1 H1 TRP 1 HT1 TRP 1 36.332 0.270 9.928 2 H2 TRP 1 HT2 TRP 1 35.403 0.441 8.516 3 H3 TRP 1 HT3 TRP 1 35.651 1.773 9.542 4 HA TRP 1 HA TRP 1 37.926 1.875 9.033 5 HB2 TRP 1 HB2 TRP 1 37.460 -0.564 7.276 6 HB3 TRP 1 HB1 TRP 1 39.004 0.269 7.573 7 HD1 TRP 1 HD1 TRP 1 39.994 0.122 10.094 8 HE1 TRP 1 HE1 TRP 1 39.768 -1.719 11.917 9 HE3 TRP 1 HE3 TRP 1 35.916 -2.357 8.239 10 HZ2 TRP 1 HZ2 TRP 1 38.037 -3.954 12.467 11 HZ3 TRP 1 HZ3 TRP 1 34.994 -4.340 9.429 12 HH2 TRP 1 HH2 TRP 1 36.050 -5.140 11.539 13 H LEU 2 HN LEU 2 38.199 3.536 7.701 14 HA LEU 2 HA LEU 2 36.197 4.180 5.719 15 HB2 LEU 2 HB2 LEU 2 38.967 5.395 5.901 16 HB3 LEU 2 HB1 LEU 2 37.464 6.152 5.324 17 HG LEU 2 HG LEU 2 38.086 5.299 8.186 18 HD11 LEU 2 HD11 LEU 2 37.569 8.049 6.971 19 HD12 LEU 2 HD12 LEU 2 39.184 7.399 7.349 20 HD13 LEU 2 HD13 LEU 2 38.013 7.696 8.658 21 HD21 LEU 2 HD21 LEU 2 35.553 6.339 6.850 22 HD22 LEU 2 HD22 LEU 2 35.845 6.553 8.593 23 HD23 LEU 2 HD23 LEU 2 35.745 4.918 7.904 24 H ARG 3 HN ARG 3 39.702 3.777 5.267 25 HA ARG 3 HA ARG 3 39.470 1.814 3.169 26 HB2 ARG 3 HB2 ARG 3 38.553 3.902 2.013 27 HB3 ARG 3 HB1 ARG 3 40.170 4.619 2.211 28 HG2 ARG 3 HG2 ARG 3 41.167 2.735 0.952 29 HG3 ARG 3 HG1 ARG 3 39.555 2.003 0.764 30 HD2 ARG 3 HD2 ARG 3 38.790 4.055 -0.435 31 HD3 ARG 3 HD1 ARG 3 40.434 4.723 -0.301 32 HE ARG 3 HE ARG 3 39.595 2.879 -2.302 33 HH11 ARG 3 HH11 ARG 3 42.045 4.160 -2.891 34 HH12 ARG 3 HH12 ARG 3 43.273 2.989 -2.544 35 HH21 ARG 3 HH21 ARG 3 41.201 1.004 -0.595 36 HH22 ARG 3 HH22 ARG 3 42.795 1.202 -1.243 37 H ARG 4 HN ARG 4 41.001 4.060 5.185 38 HA ARG 4 HA ARG 4 43.405 2.564 5.446 39 HB2 ARG 4 HB2 ARG 4 44.976 4.316 4.450 40 HB3 ARG 4 HB1 ARG 4 44.095 3.317 3.269 41 HG2 ARG 4 HG2 ARG 4 42.486 5.074 2.864 42 HG3 ARG 4 HG1 ARG 4 43.121 6.043 4.217 43 HD2 ARG 4 HD2 ARG 4 43.885 6.698 1.827 44 HD3 ARG 4 HD1 ARG 4 45.147 6.524 3.070 45 HE ARG 4 HE ARG 4 46.007 4.731 1.810 46 HH11 ARG 4 HH11 ARG 4 45.048 2.496 1.311 47 HH12 ARG 4 HH12 ARG 4 43.945 2.507 -0.025 48 HH21 ARG 4 HH21 ARG 4 43.559 5.953 -0.019 49 HH22 ARG 4 HH22 ARG 4 43.103 4.465 -0.779 50 H ILE 5 HN ILE 5 41.127 4.537 6.484 51 HA ILE 5 HA ILE 5 40.924 5.967 8.295 52 HB ILE 5 HB ILE 5 43.729 5.097 9.109 53 HG12 ILE 5 HG12 ILE 5 42.615 3.030 8.692 54 HG13 ILE 5 HG11 ILE 5 42.459 3.286 10.439 55 HG21 ILE 5 HG21 ILE 5 41.317 6.226 10.581 56 HG22 ILE 5 HG22 ILE 5 42.978 6.851 10.516 57 HG23 ILE 5 HG23 ILE 5 42.624 5.371 11.432 58 HD11 ILE 5 HD1 ILE 5 40.343 3.682 8.287 59 HD12 ILE 5 HD2 ILE 5 40.157 4.331 9.931 60 HD13 ILE 5 HD3 ILE 5 40.300 2.579 9.680 61 H GLY 6 HN GLY 6 40.987 7.762 6.818 62 HA2 GLY 6 HA1 GLY 6 43.075 9.665 7.557 63 HA3 GLY 6 HA2 GLY 6 43.180 9.141 5.865 64 H LYS 7 HN LYS 7 40.026 8.800 6.436 65 HA LYS 7 HA LYS 7 38.173 10.039 5.805 66 HB2 LYS 7 HB2 LYS 7 39.707 12.345 7.077 67 HB3 LYS 7 HB1 LYS 7 37.956 12.278 6.770 68 HG2 LYS 7 HG2 LYS 7 37.642 10.507 8.360 69 HG3 LYS 7 HG1 LYS 7 39.390 10.215 8.487 70 HD2 LYS 7 HD2 LYS 7 38.517 11.485 10.443 71 HD3 LYS 7 HD1 LYS 7 39.721 12.417 9.524 72 HE2 LYS 7 HE2 LYS 7 37.541 13.638 10.239 73 HE3 LYS 7 HE1 LYS 7 38.070 13.817 8.551 74 HZ1 LYS 7 HZ1 LYS 7 36.527 12.110 7.895 75 HZ2 LYS 7 HZ2 LYS 7 35.686 13.294 8.777 76 HZ3 LYS 7 HZ3 LYS 7 36.085 11.811 9.505 77 H GLY 8 HN GLY 8 38.096 12.882 5.102 78 HA2 GLY 8 HA1 GLY 8 38.266 12.824 2.368 79 HA3 GLY 8 HA2 GLY 8 38.551 14.297 3.313 80 H VAL 9 HN VAL 9 39.704 13.226 0.741 81 HA VAL 9 HA VAL 9 42.467 12.543 1.303 82 HB VAL 9 HB VAL 9 41.234 13.680 -1.247 83 HG11 VAL 9 HG11 VAL 9 43.870 12.286 -0.620 84 HG12 VAL 9 HG12 VAL 9 43.639 13.911 -1.309 85 HG13 VAL 9 HG13 VAL 9 43.232 12.469 -2.271 86 HG21 VAL 9 HG21 VAL 9 41.711 10.815 -0.307 87 HG22 VAL 9 HG22 VAL 9 41.198 11.274 -1.949 88 HG23 VAL 9 HG23 VAL 9 40.131 11.594 -0.559 89 H LYS 10 HN LYS 10 41.381 15.373 -0.596 90 HA LYS 10 HA LYS 10 42.521 17.323 1.188 91 HB2 LYS 10 HB2 LYS 10 44.662 16.349 0.523 92 HB3 LYS 10 HB1 LYS 10 44.221 16.467 -1.193 93 HG2 LYS 10 HG2 LYS 10 45.766 18.289 -0.463 94 HG3 LYS 10 HG1 LYS 10 44.222 18.918 -1.072 95 HD2 LYS 10 HD2 LYS 10 43.446 19.473 1.104 96 HD3 LYS 10 HD1 LYS 10 44.616 18.393 1.899 97 HE2 LYS 10 HE2 LYS 10 46.467 19.872 1.222 98 HE3 LYS 10 HE1 LYS 10 45.326 20.930 0.358 99 HZ1 LYS 10 HZ1 LYS 10 45.313 22.010 2.319 100 HZ2 LYS 10 HZ2 LYS 10 45.820 20.658 3.214 101 HZ3 LYS 10 HZ3 LYS 10 44.189 20.822 2.766 102 H ILE 11 HN ILE 11 41.130 16.240 -1.766 103 HA ILE 11 HA ILE 11 40.097 19.001 -2.292 104 HB ILE 11 HB ILE 11 41.143 17.232 -4.544 105 HG12 ILE 11 HG12 ILE 11 42.513 19.550 -3.100 106 HG13 ILE 11 HG11 ILE 11 43.052 17.855 -3.131 107 HG21 ILE 11 HG21 ILE 11 40.609 20.232 -4.492 108 HG22 ILE 11 HG22 ILE 11 39.350 19.048 -4.915 109 HG23 ILE 11 HG23 ILE 11 40.820 19.176 -5.909 110 HD11 ILE 11 HD1 ILE 11 43.021 19.871 -5.400 111 HD12 ILE 11 HD2 ILE 11 43.095 18.120 -5.722 112 HD13 ILE 11 HD3 ILE 11 44.386 18.912 -4.787 113 H ILE 12 HN ILE 12 40.043 15.530 -3.156 114 HA ILE 12 HA ILE 12 37.294 15.692 -4.165 115 HB ILE 12 HB ILE 12 39.028 13.322 -3.393 116 HG12 ILE 12 HG12 ILE 12 38.481 14.452 -6.181 117 HG13 ILE 12 HG11 ILE 12 39.913 14.888 -5.222 118 HG21 ILE 12 HG21 ILE 12 36.740 12.584 -3.489 119 HG22 ILE 12 HG22 ILE 12 37.441 12.130 -5.053 120 HG23 ILE 12 HG23 ILE 12 36.404 13.569 -4.930 121 HD11 ILE 12 HD1 ILE 12 40.771 13.121 -6.494 122 HD12 ILE 12 HD2 ILE 12 39.225 12.251 -6.540 123 HD13 ILE 12 HD3 ILE 12 40.217 12.227 -5.062 124 H GLY 13 HN GLY 13 38.266 13.146 -1.899 125 HA2 GLY 13 HA1 GLY 13 35.863 13.350 -0.351 126 HA3 GLY 13 HA2 GLY 13 37.363 12.533 0.146 127 H GLY 14 HN GLY 14 38.438 15.300 -0.809 128 HA2 GLY 14 HA1 GLY 14 38.682 16.454 1.891 129 HA3 GLY 14 HA2 GLY 14 39.470 17.022 0.403 130 H ALA 15 HN ALA 15 37.330 17.398 -1.334 131 HA ALA 15 HA ALA 15 36.074 19.794 -0.049 132 HB1 ALA 15 HB1 ALA 15 36.981 19.916 -2.380 133 HB2 ALA 15 HB2 ALA 15 35.249 20.305 -2.279 134 HB3 ALA 15 HB3 ALA 15 35.767 18.713 -2.880 135 H ALA 16 HN ALA 16 35.541 17.035 0.793 136 HA ALA 16 HA ALA 16 33.684 15.937 1.615 137 HB1 ALA 16 HB1 ALA 16 31.775 17.704 0.070 138 HB2 ALA 16 HB2 ALA 16 32.643 18.355 1.480 139 HB3 ALA 16 HB3 ALA 16 31.574 16.943 1.666 140 H LEU 17 HN LEU 17 35.138 15.129 -0.687 141 HA LEU 17 HA LEU 17 34.894 13.639 -2.467 142 HB2 LEU 17 HB2 LEU 17 33.459 12.519 -0.599 143 HB3 LEU 17 HB1 LEU 17 32.058 13.104 -1.522 144 HG LEU 17 HG LEU 17 33.359 11.957 -3.584 145 HD11 LEU 17 HD11 LEU 17 35.322 11.378 -2.027 146 HD12 LEU 17 HD12 LEU 17 34.666 10.034 -2.988 147 HD13 LEU 17 HD13 LEU 17 34.244 10.188 -1.265 148 HD21 LEU 17 HD21 LEU 17 31.106 11.316 -2.767 149 HD22 LEU 17 HD22 LEU 17 31.850 10.358 -1.464 150 HD23 LEU 17 HD23 LEU 17 32.076 9.878 -3.163 151 H ASP 18 HN ASP 18 34.253 16.400 -2.887 152 HA ASP 18 HA ASP 18 33.264 17.765 -4.475 153 HB2 ASP 18 HB2 ASP 18 33.004 15.115 -5.952 154 HB3 ASP 18 HB1 ASP 18 32.784 16.722 -6.684 155 H HIS 19 HN HIS 19 31.294 14.930 -5.326 156 HA HIS 19 HA HIS 19 28.851 16.318 -5.416 157 HB2 HIS 19 HB2 HIS 19 29.191 13.410 -4.595 158 HB3 HIS 19 HB1 HIS 19 27.779 14.153 -5.382 159 HD1 HIS 19 HD1 HIS 19 30.800 12.297 -6.138 160 HD2 HIS 19 HD2 HIS 19 28.557 15.279 -8.079 161 HE1 HIS 19 HE1 HIS 19 31.496 12.294 -8.596 162 H LEU 20 HN LEU 20 29.847 14.073 -2.779 163 HA LEU 20 HA LEU 20 27.765 14.991 -1.016 164 HB2 LEU 20 HB2 LEU 20 29.263 12.798 -1.014 165 HB3 LEU 20 HB1 LEU 20 30.341 13.765 0.014 166 HG LEU 20 HG LEU 20 27.396 13.139 0.531 167 HD11 LEU 20 HD11 LEU 20 28.218 11.828 2.387 168 HD12 LEU 20 HD12 LEU 20 29.878 12.424 2.147 169 HD13 LEU 20 HD13 LEU 20 29.141 11.334 0.948 170 HD21 LEU 20 HD21 LEU 20 27.967 14.290 2.784 171 HD22 LEU 20 HD22 LEU 20 27.730 15.349 1.377 172 HD23 LEU 20 HD23 LEU 20 29.377 14.975 1.940 Start of MODEL 91 1 H1 TRP 1 HT1 TRP 1 50.151 18.079 -3.241 2 H2 TRP 1 HT2 TRP 1 51.625 18.041 -2.398 3 H3 TRP 1 HT3 TRP 1 50.319 17.089 -1.875 4 HA TRP 1 HA TRP 1 52.317 16.187 -3.344 5 HB2 TRP 1 HB2 TRP 1 49.415 15.283 -3.521 6 HB3 TRP 1 HB1 TRP 1 50.855 14.289 -3.850 7 HD1 TRP 1 HD1 TRP 1 48.825 15.813 -1.018 8 HE1 TRP 1 HE1 TRP 1 49.631 14.860 1.263 9 HE3 TRP 1 HE3 TRP 1 52.990 13.303 -2.619 10 HZ2 TRP 1 HZ2 TRP 1 51.799 13.229 2.228 11 HZ3 TRP 1 HZ3 TRP 1 54.412 12.055 -1.000 12 HH2 TRP 1 HH2 TRP 1 53.821 12.017 1.419 13 H LEU 2 HN LEU 2 52.055 15.025 -5.563 14 HA LEU 2 HA LEU 2 51.829 17.143 -7.545 15 HB2 LEU 2 HB2 LEU 2 52.012 14.168 -8.129 16 HB3 LEU 2 HB1 LEU 2 52.621 15.530 -9.099 17 HG LEU 2 HG LEU 2 53.659 14.640 -6.372 18 HD11 LEU 2 HD11 LEU 2 55.725 14.137 -7.664 19 HD12 LEU 2 HD12 LEU 2 54.888 14.603 -9.164 20 HD13 LEU 2 HD13 LEU 2 54.339 13.183 -8.243 21 HD21 LEU 2 HD21 LEU 2 53.895 17.020 -6.426 22 HD22 LEU 2 HD22 LEU 2 54.314 17.022 -8.156 23 HD23 LEU 2 HD23 LEU 2 55.473 16.396 -6.958 24 H ARG 3 HN ARG 3 49.646 14.925 -6.112 25 HA ARG 3 HA ARG 3 47.376 14.648 -6.434 26 HB2 ARG 3 HB2 ARG 3 47.574 17.141 -7.236 27 HB3 ARG 3 HB1 ARG 3 47.398 16.461 -8.869 28 HG2 ARG 3 HG2 ARG 3 45.281 15.371 -8.203 29 HG3 ARG 3 HG1 ARG 3 45.453 16.028 -6.556 30 HD2 ARG 3 HD2 ARG 3 45.385 18.327 -7.446 31 HD3 ARG 3 HD1 ARG 3 45.259 17.694 -9.106 32 HE ARG 3 HE ARG 3 43.091 17.837 -7.149 33 HH11 ARG 3 HH11 ARG 3 43.030 18.076 -10.225 34 HH12 ARG 3 HH12 ARG 3 42.104 16.671 -10.632 35 HH21 ARG 3 HH21 ARG 3 42.473 15.198 -7.514 36 HH22 ARG 3 HH22 ARG 3 41.789 15.041 -9.097 37 H ARG 4 HN ARG 4 49.451 14.605 -9.314 38 HA ARG 4 HA ARG 4 47.679 12.782 -10.773 39 HB2 ARG 4 HB2 ARG 4 50.543 13.704 -11.216 40 HB3 ARG 4 HB1 ARG 4 49.671 12.614 -12.321 41 HG2 ARG 4 HG2 ARG 4 47.967 14.294 -12.739 42 HG3 ARG 4 HG1 ARG 4 48.647 15.362 -11.487 43 HD2 ARG 4 HD2 ARG 4 50.724 15.605 -12.779 44 HD3 ARG 4 HD1 ARG 4 50.114 14.473 -14.010 45 HE ARG 4 HE ARG 4 48.898 16.273 -14.919 46 HH11 ARG 4 HH11 ARG 4 50.680 18.259 -13.612 47 HH12 ARG 4 HH12 ARG 4 49.566 19.227 -12.706 48 HH21 ARG 4 HH21 ARG 4 46.996 16.905 -12.883 49 HH22 ARG 4 HH22 ARG 4 47.479 18.460 -12.293 50 H ILE 5 HN ILE 5 50.157 12.519 -8.365 51 HA ILE 5 HA ILE 5 49.943 9.545 -8.502 52 HB ILE 5 HB ILE 5 52.675 10.886 -8.289 53 HG12 ILE 5 HG12 ILE 5 51.263 9.730 -10.739 54 HG13 ILE 5 HG11 ILE 5 51.802 11.410 -10.512 55 HG21 ILE 5 HG21 ILE 5 52.201 8.525 -7.372 56 HG22 ILE 5 HG22 ILE 5 53.525 8.660 -8.551 57 HG23 ILE 5 HG23 ILE 5 51.938 8.033 -9.061 58 HD11 ILE 5 HD1 ILE 5 53.510 10.431 -11.839 59 HD12 ILE 5 HD2 ILE 5 53.494 8.919 -10.902 60 HD13 ILE 5 HD3 ILE 5 54.180 10.400 -10.190 61 H GLY 6 HN GLY 6 48.577 10.415 -6.634 62 HA2 GLY 6 HA1 GLY 6 49.776 9.703 -4.200 63 HA3 GLY 6 HA2 GLY 6 49.927 11.468 -4.314 64 H LYS 7 HN LYS 7 47.615 12.235 -5.533 65 HA LYS 7 HA LYS 7 45.435 12.790 -4.965 66 HB2 LYS 7 HB2 LYS 7 45.213 9.865 -4.160 67 HB3 LYS 7 HB1 LYS 7 43.893 10.950 -4.657 68 HG2 LYS 7 HG2 LYS 7 44.976 11.206 -6.892 69 HG3 LYS 7 HG1 LYS 7 46.237 10.052 -6.391 70 HD2 LYS 7 HD2 LYS 7 44.595 8.279 -6.121 71 HD3 LYS 7 HD1 LYS 7 43.255 9.419 -6.405 72 HE2 LYS 7 HE2 LYS 7 44.081 9.833 -8.699 73 HE3 LYS 7 HE1 LYS 7 45.431 8.706 -8.421 74 HZ1 LYS 7 HZ1 LYS 7 43.906 7.334 -9.399 75 HZ2 LYS 7 HZ2 LYS 7 42.562 8.144 -8.747 76 HZ3 LYS 7 HZ3 LYS 7 43.488 7.106 -7.771 77 H GLY 8 HN GLY 8 43.714 12.656 -3.157 78 HA2 GLY 8 HA1 GLY 8 44.300 11.914 -0.523 79 HA3 GLY 8 HA2 GLY 8 45.009 13.528 -0.727 80 H VAL 9 HN VAL 9 42.846 12.747 1.040 81 HA VAL 9 HA VAL 9 40.345 13.650 -0.149 82 HB VAL 9 HB VAL 9 39.517 13.670 2.203 83 HG11 VAL 9 HG11 VAL 9 39.489 11.569 0.934 84 HG12 VAL 9 HG12 VAL 9 39.903 11.234 2.633 85 HG13 VAL 9 HG13 VAL 9 41.178 11.244 1.390 86 HG21 VAL 9 HG21 VAL 9 42.435 13.008 2.806 87 HG22 VAL 9 HG22 VAL 9 41.104 12.838 3.976 88 HG23 VAL 9 HG23 VAL 9 41.534 14.447 3.345 89 H LYS 10 HN LYS 10 42.936 15.392 -0.032 90 HA LYS 10 HA LYS 10 42.105 17.695 1.580 91 HB2 LYS 10 HB2 LYS 10 44.209 17.456 -0.611 92 HB3 LYS 10 HB1 LYS 10 44.038 18.805 0.537 93 HG2 LYS 10 HG2 LYS 10 44.634 17.442 2.406 94 HG3 LYS 10 HG1 LYS 10 44.410 15.936 1.485 95 HD2 LYS 10 HD2 LYS 10 46.806 16.413 1.716 96 HD3 LYS 10 HD1 LYS 10 46.321 16.578 0.012 97 HE2 LYS 10 HE2 LYS 10 46.363 18.959 0.116 98 HE3 LYS 10 HE1 LYS 10 46.383 18.967 1.896 99 HZ1 LYS 10 HZ1 LYS 10 48.562 18.987 0.168 100 HZ2 LYS 10 HZ2 LYS 10 48.564 17.461 0.915 101 HZ3 LYS 10 HZ3 LYS 10 48.581 18.872 1.860 102 H ILE 11 HN ILE 11 41.305 16.398 -1.465 103 HA ILE 11 HA ILE 11 40.056 19.017 -2.306 104 HB ILE 11 HB ILE 11 41.058 16.871 -4.224 105 HG12 ILE 11 HG12 ILE 11 42.837 18.909 -4.632 106 HG13 ILE 11 HG11 ILE 11 42.553 19.151 -2.895 107 HG21 ILE 11 HG21 ILE 11 39.277 18.406 -5.014 108 HG22 ILE 11 HG22 ILE 11 40.808 18.701 -5.873 109 HG23 ILE 11 HG23 ILE 11 40.288 19.805 -4.577 110 HD11 ILE 11 HD1 ILE 11 43.689 16.721 -4.320 111 HD12 ILE 11 HD2 ILE 11 42.993 16.578 -2.691 112 HD13 ILE 11 HD3 ILE 11 44.385 17.648 -2.971 113 H ILE 12 HN ILE 12 40.014 15.462 -2.438 114 HA ILE 12 HA ILE 12 37.325 15.328 -3.563 115 HB ILE 12 HB ILE 12 39.045 13.306 -2.099 116 HG12 ILE 12 HG12 ILE 12 38.573 13.328 -5.110 117 HG13 ILE 12 HG11 ILE 12 39.799 14.406 -4.408 118 HG21 ILE 12 HG21 ILE 12 37.479 11.689 -3.544 119 HG22 ILE 12 HG22 ILE 12 36.374 13.080 -3.531 120 HG23 ILE 12 HG23 ILE 12 36.896 12.340 -1.999 121 HD11 ILE 12 HD1 ILE 12 40.879 12.331 -5.078 122 HD12 ILE 12 HD2 ILE 12 39.701 11.364 -4.165 123 HD13 ILE 12 HD3 ILE 12 40.857 12.405 -3.302 124 H GLY 13 HN GLY 13 38.202 13.509 -0.652 125 HA2 GLY 13 HA1 GLY 13 35.714 14.045 0.658 126 HA3 GLY 13 HA2 GLY 13 37.192 13.426 1.431 127 H GLY 14 HN GLY 14 38.244 15.897 -0.204 128 HA2 GLY 14 HA1 GLY 14 38.319 17.722 2.129 129 HA3 GLY 14 HA2 GLY 14 39.178 17.914 0.584 130 H ALA 15 HN ALA 15 37.124 17.697 -1.267 131 HA ALA 15 HA ALA 15 35.701 20.287 -0.747 132 HB1 ALA 15 HB1 ALA 15 36.842 19.872 -2.945 133 HB2 ALA 15 HB2 ALA 15 35.100 20.191 -3.099 134 HB3 ALA 15 HB3 ALA 15 35.713 18.526 -3.232 135 H ALA 16 HN ALA 16 35.200 17.797 0.709 136 HA ALA 16 HA ALA 16 33.334 16.768 1.593 137 HB1 ALA 16 HB1 ALA 16 31.186 17.648 1.266 138 HB2 ALA 16 HB2 ALA 16 31.509 18.100 -0.424 139 HB3 ALA 16 HB3 ALA 16 32.223 19.046 0.903 140 H LEU 17 HN LEU 17 34.964 15.471 -0.211 141 HA LEU 17 HA LEU 17 34.941 13.569 -1.546 142 HB2 LEU 17 HB2 LEU 17 31.927 13.411 -1.161 143 HB3 LEU 17 HB1 LEU 17 33.035 12.096 -1.587 144 HG LEU 17 HG LEU 17 33.431 13.600 1.030 145 HD11 LEU 17 HD11 LEU 17 31.076 12.968 1.088 146 HD12 LEU 17 HD12 LEU 17 32.000 11.860 2.132 147 HD13 LEU 17 HD13 LEU 17 31.467 11.327 0.519 148 HD21 LEU 17 HD21 LEU 17 34.536 11.588 1.715 149 HD22 LEU 17 HD22 LEU 17 35.081 11.862 0.045 150 HD23 LEU 17 HD23 LEU 17 33.828 10.648 0.382 151 H ASP 18 HN ASP 18 33.913 16.425 -2.415 152 HA ASP 18 HA ASP 18 33.355 17.419 -4.428 153 HB2 ASP 18 HB2 ASP 18 35.286 16.019 -5.209 154 HB3 ASP 18 HB1 ASP 18 34.126 14.751 -5.674 155 H HIS 19 HN HIS 19 32.469 14.073 -5.363 156 HA HIS 19 HA HIS 19 29.607 14.612 -4.990 157 HB2 HIS 19 HB2 HIS 19 30.182 15.826 -7.137 158 HB3 HIS 19 HB1 HIS 19 30.640 14.252 -7.829 159 HD1 HIS 19 HD1 HIS 19 28.804 13.004 -8.964 160 HD2 HIS 19 HD2 HIS 19 27.335 15.638 -6.034 161 HE1 HIS 19 HE1 HIS 19 26.252 12.916 -9.070 162 H LEU 20 HN LEU 20 31.636 12.655 -4.151 163 HA LEU 20 HA LEU 20 30.656 10.175 -5.556 164 HB2 LEU 20 HB2 LEU 20 32.939 10.383 -3.561 165 HB3 LEU 20 HB1 LEU 20 32.601 9.079 -4.724 166 HG LEU 20 HG LEU 20 33.425 11.937 -5.404 167 HD11 LEU 20 HD11 LEU 20 35.504 10.924 -6.166 168 HD12 LEU 20 HD12 LEU 20 34.876 9.291 -5.838 169 HD13 LEU 20 HD13 LEU 20 35.209 10.404 -4.489 170 HD21 LEU 20 HD21 LEU 20 32.578 9.561 -7.112 171 HD22 LEU 20 HD22 LEU 20 33.619 10.852 -7.761 172 HD23 LEU 20 HD23 LEU 20 31.986 11.238 -7.175 Start of MODEL 92 1 H1 TRP 1 HT1 TRP 1 49.986 17.774 14.366 2 H2 TRP 1 HT2 TRP 1 49.371 16.228 14.717 3 H3 TRP 1 HT3 TRP 1 48.316 17.494 14.303 4 HA TRP 1 HA TRP 1 49.695 17.583 12.154 5 HB2 TRP 1 HB2 TRP 1 50.120 14.746 13.174 6 HB3 TRP 1 HB1 TRP 1 50.437 15.289 11.508 7 HD1 TRP 1 HD1 TRP 1 51.722 15.635 15.089 8 HE1 TRP 1 HE1 TRP 1 54.099 16.687 15.070 9 HE3 TRP 1 HE3 TRP 1 52.031 16.839 10.123 10 HZ2 TRP 1 HZ2 TRP 1 55.870 17.882 13.138 11 HZ3 TRP 1 HZ3 TRP 1 54.075 17.934 9.213 12 HH2 TRP 1 HH2 TRP 1 55.992 18.456 10.716 13 H LEU 2 HN LEU 2 47.479 18.184 11.869 14 HA LEU 2 HA LEU 2 45.385 17.853 10.951 15 HB2 LEU 2 HB2 LEU 2 46.227 15.010 10.300 16 HB3 LEU 2 HB1 LEU 2 45.020 16.016 9.473 17 HG LEU 2 HG LEU 2 48.023 16.558 9.572 18 HD11 LEU 2 HD11 LEU 2 47.440 14.655 8.129 19 HD12 LEU 2 HD12 LEU 2 47.894 16.056 7.132 20 HD13 LEU 2 HD13 LEU 2 46.178 15.623 7.330 21 HD21 LEU 2 HD21 LEU 2 45.658 18.071 8.391 22 HD22 LEU 2 HD22 LEU 2 47.304 18.267 7.741 23 HD23 LEU 2 HD23 LEU 2 46.962 18.689 9.433 24 H ARG 3 HN ARG 3 46.538 16.022 13.550 25 HA ARG 3 HA ARG 3 45.462 15.019 15.326 26 HB2 ARG 3 HB2 ARG 3 42.852 16.097 14.223 27 HB3 ARG 3 HB1 ARG 3 43.270 15.730 15.913 28 HG2 ARG 3 HG2 ARG 3 45.101 17.505 15.723 29 HG3 ARG 3 HG1 ARG 3 44.365 17.975 14.172 30 HD2 ARG 3 HD2 ARG 3 42.164 18.259 15.401 31 HD3 ARG 3 HD1 ARG 3 43.054 18.012 16.921 32 HE ARG 3 HE ARG 3 44.230 20.104 15.255 33 HH11 ARG 3 HH11 ARG 3 44.013 19.992 18.300 34 HH12 ARG 3 HH12 ARG 3 42.902 21.286 18.602 35 HH21 ARG 3 HH21 ARG 3 41.832 21.486 15.309 36 HH22 ARG 3 HH22 ARG 3 41.668 22.134 16.907 37 H ARG 4 HN ARG 4 44.589 14.273 12.089 38 HA ARG 4 HA ARG 4 43.566 11.597 13.001 39 HB2 ARG 4 HB2 ARG 4 42.393 13.351 10.804 40 HB3 ARG 4 HB1 ARG 4 41.946 11.654 11.106 41 HG2 ARG 4 HG2 ARG 4 41.188 12.223 13.372 42 HG3 ARG 4 HG1 ARG 4 41.704 13.911 13.143 43 HD2 ARG 4 HD2 ARG 4 39.228 13.532 12.773 44 HD3 ARG 4 HD1 ARG 4 40.072 14.242 11.376 45 HE ARG 4 HE ARG 4 40.062 11.379 11.133 46 HH11 ARG 4 HH11 ARG 4 37.629 10.631 11.175 47 HH12 ARG 4 HH12 ARG 4 36.682 11.469 9.990 48 HH21 ARG 4 HH21 ARG 4 39.017 13.986 9.517 49 HH22 ARG 4 HH22 ARG 4 37.468 13.368 9.051 50 H ILE 5 HN ILE 5 45.879 13.333 11.384 51 HA ILE 5 HA ILE 5 47.412 12.800 9.722 52 HB ILE 5 HB ILE 5 46.757 9.886 10.337 53 HG12 ILE 5 HG12 ILE 5 48.477 11.866 11.903 54 HG13 ILE 5 HG11 ILE 5 46.990 11.073 12.473 55 HG21 ILE 5 HG21 ILE 5 48.377 10.580 8.456 56 HG22 ILE 5 HG22 ILE 5 49.027 9.478 9.690 57 HG23 ILE 5 HG23 ILE 5 49.435 11.210 9.739 58 HD11 ILE 5 HD1 ILE 5 49.705 9.829 11.926 59 HD12 ILE 5 HD2 ILE 5 48.229 8.834 11.987 60 HD13 ILE 5 HD3 ILE 5 48.736 9.768 13.415 61 H GLY 6 HN GLY 6 45.904 13.667 8.124 62 HA2 GLY 6 HA1 GLY 6 45.276 13.376 5.868 63 HA3 GLY 6 HA2 GLY 6 45.293 11.613 6.075 64 H LYS 7 HN LYS 7 43.545 14.533 7.206 65 HA LYS 7 HA LYS 7 41.217 13.302 8.146 66 HB2 LYS 7 HB2 LYS 7 40.055 15.428 7.549 67 HB3 LYS 7 HB1 LYS 7 41.608 15.698 8.375 68 HG2 LYS 7 HG2 LYS 7 42.680 15.940 6.085 69 HG3 LYS 7 HG1 LYS 7 41.041 15.911 5.389 70 HD2 LYS 7 HD2 LYS 7 40.444 17.840 6.916 71 HD3 LYS 7 HD1 LYS 7 42.160 17.931 7.377 72 HE2 LYS 7 HE2 LYS 7 42.747 18.211 4.949 73 HE3 LYS 7 HE1 LYS 7 41.009 18.261 4.573 74 HZ1 LYS 7 HZ1 LYS 7 40.749 20.268 5.634 75 HZ2 LYS 7 HZ2 LYS 7 42.311 20.451 4.990 76 HZ3 LYS 7 HZ3 LYS 7 42.106 20.063 6.632 77 H GLY 8 HN GLY 8 42.387 13.463 4.885 78 HA2 GLY 8 HA1 GLY 8 40.495 11.622 3.898 79 HA3 GLY 8 HA2 GLY 8 39.855 13.236 3.539 80 H VAL 9 HN VAL 9 40.507 14.252 1.759 81 HA VAL 9 HA VAL 9 43.103 13.437 0.494 82 HB VAL 9 HB VAL 9 40.465 13.627 -1.033 83 HG11 VAL 9 HG11 VAL 9 41.936 12.521 -2.822 84 HG12 VAL 9 HG12 VAL 9 43.331 12.934 -1.798 85 HG13 VAL 9 HG13 VAL 9 42.300 14.224 -2.463 86 HG21 VAL 9 HG21 VAL 9 42.113 11.199 -0.192 87 HG22 VAL 9 HG22 VAL 9 40.721 11.157 -1.301 88 HG23 VAL 9 HG23 VAL 9 40.490 11.625 0.400 89 H LYS 10 HN LYS 10 40.752 15.748 1.378 90 HA LYS 10 HA LYS 10 40.824 18.058 1.298 91 HB2 LYS 10 HB2 LYS 10 43.402 17.605 1.329 92 HB3 LYS 10 HB1 LYS 10 43.336 18.001 -0.404 93 HG2 LYS 10 HG2 LYS 10 42.050 20.143 0.334 94 HG3 LYS 10 HG1 LYS 10 42.645 19.771 1.970 95 HD2 LYS 10 HD2 LYS 10 44.977 19.733 1.086 96 HD3 LYS 10 HD1 LYS 10 44.356 20.176 -0.521 97 HE2 LYS 10 HE2 LYS 10 43.344 22.243 0.504 98 HE3 LYS 10 HE1 LYS 10 44.140 21.821 2.038 99 HZ1 LYS 10 HZ1 LYS 10 46.038 22.656 1.290 100 HZ2 LYS 10 HZ2 LYS 10 45.228 23.215 -0.095 101 HZ3 LYS 10 HZ3 LYS 10 45.990 21.696 -0.107 102 H ILE 11 HN ILE 11 41.042 16.073 -1.516 103 HA ILE 11 HA ILE 11 39.862 18.277 -3.213 104 HB ILE 11 HB ILE 11 41.199 15.739 -4.218 105 HG12 ILE 11 HG12 ILE 11 42.422 18.483 -3.671 106 HG13 ILE 11 HG11 ILE 11 42.853 16.952 -2.874 107 HG21 ILE 11 HG21 ILE 11 40.861 18.448 -5.575 108 HG22 ILE 11 HG22 ILE 11 39.630 17.168 -5.686 109 HG23 ILE 11 HG23 ILE 11 41.265 16.886 -6.326 110 HD11 ILE 11 HD1 ILE 11 43.391 16.085 -5.272 111 HD12 ILE 11 HD2 ILE 11 44.532 17.231 -4.530 112 HD13 ILE 11 HD3 ILE 11 43.365 17.801 -5.744 113 H ILE 12 HN ILE 12 39.797 14.735 -2.592 114 HA ILE 12 HA ILE 12 37.143 14.570 -3.944 115 HB ILE 12 HB ILE 12 38.902 12.414 -2.717 116 HG12 ILE 12 HG12 ILE 12 38.540 13.157 -5.663 117 HG13 ILE 12 HG11 ILE 12 39.910 13.697 -4.669 118 HG21 ILE 12 HG21 ILE 12 36.342 12.367 -4.371 119 HG22 ILE 12 HG22 ILE 12 36.701 11.507 -2.855 120 HG23 ILE 12 HG23 ILE 12 37.449 10.977 -4.369 121 HD11 ILE 12 HD1 ILE 12 39.311 10.952 -5.768 122 HD12 ILE 12 HD2 ILE 12 40.098 11.033 -4.174 123 HD13 ILE 12 HD3 ILE 12 40.870 11.786 -5.586 124 H GLY 13 HN GLY 13 37.910 12.342 -1.343 125 HA2 GLY 13 HA1 GLY 13 35.466 12.768 0.037 126 HA3 GLY 13 HA2 GLY 13 36.934 12.052 0.742 127 H GLY 14 HN GLY 14 38.104 14.672 -0.438 128 HA2 GLY 14 HA1 GLY 14 38.037 16.184 2.095 129 HA3 GLY 14 HA2 GLY 14 39.011 16.535 0.652 130 H ALA 15 HN ALA 15 37.178 16.673 -1.393 131 HA ALA 15 HA ALA 15 35.766 19.199 -0.635 132 HB1 ALA 15 HB1 ALA 15 37.033 18.875 -2.825 133 HB2 ALA 15 HB2 ALA 15 35.368 19.482 -2.969 134 HB3 ALA 15 HB3 ALA 15 35.723 17.774 -3.315 135 H ALA 16 HN ALA 16 35.064 16.624 0.539 136 HA ALA 16 HA ALA 16 33.102 15.626 1.224 137 HB1 ALA 16 HB1 ALA 16 31.021 16.626 0.835 138 HB2 ALA 16 HB2 ALA 16 31.467 17.180 -0.795 139 HB3 ALA 16 HB3 ALA 16 32.135 17.998 0.636 140 H LEU 17 HN LEU 17 34.812 14.445 -0.661 141 HA LEU 17 HA LEU 17 34.780 12.706 -2.212 142 HB2 LEU 17 HB2 LEU 17 32.994 11.917 -0.501 143 HB3 LEU 17 HB1 LEU 17 31.800 12.430 -1.714 144 HG LEU 17 HG LEU 17 33.326 10.955 -3.367 145 HD11 LEU 17 HD11 LEU 17 35.018 10.485 -1.533 146 HD12 LEU 17 HD12 LEU 17 34.333 9.026 -2.282 147 HD13 LEU 17 HD13 LEU 17 33.757 9.562 -0.687 148 HD21 LEU 17 HD21 LEU 17 31.900 8.957 -2.782 149 HD22 LEU 17 HD22 LEU 17 30.974 10.469 -2.945 150 HD23 LEU 17 HD23 LEU 17 31.354 9.827 -1.329 151 H ASP 18 HN ASP 18 34.758 15.136 -3.368 152 HA ASP 18 HA ASP 18 34.238 16.225 -5.347 153 HB2 ASP 18 HB2 ASP 18 34.863 13.951 -6.247 154 HB3 ASP 18 HB1 ASP 18 33.133 13.537 -6.246 155 H HIS 19 HN HIS 19 32.309 16.281 -3.204 156 HA HIS 19 HA HIS 19 30.116 16.930 -2.831 157 HB2 HIS 19 HB2 HIS 19 30.139 17.635 -5.793 158 HB3 HIS 19 HB1 HIS 19 29.055 18.294 -4.544 159 HD1 HIS 19 HD1 HIS 19 31.861 19.336 -6.377 160 HD2 HIS 19 HD2 HIS 19 30.997 19.327 -2.261 161 HE1 HIS 19 HE1 HIS 19 33.403 21.048 -5.272 162 H LEU 20 HN LEU 20 30.539 14.178 -3.380 163 HA LEU 20 HA LEU 20 29.368 12.270 -3.965 164 HB2 LEU 20 HB2 LEU 20 27.737 13.096 -2.393 165 HB3 LEU 20 HB1 LEU 20 27.090 14.251 -3.578 166 HG LEU 20 HG LEU 20 26.161 12.464 -4.928 167 HD11 LEU 20 HD11 LEU 20 26.412 10.040 -4.034 168 HD12 LEU 20 HD12 LEU 20 27.784 10.665 -3.088 169 HD13 LEU 20 HD13 LEU 20 27.816 10.748 -4.866 170 HD21 LEU 20 HD21 LEU 20 25.652 11.748 -2.010 171 HD22 LEU 20 HD22 LEU 20 24.538 11.543 -3.382 172 HD23 LEU 20 HD23 LEU 20 24.956 13.177 -2.812 Start of MODEL 93 1 H1 TRP 1 HT1 TRP 1 38.181 2.799 5.955 2 H2 TRP 1 HT2 TRP 1 37.882 3.420 4.401 3 H3 TRP 1 HT3 TRP 1 37.877 4.454 5.749 4 HA TRP 1 HA TRP 1 40.143 3.127 4.439 5 HB2 TRP 1 HB2 TRP 1 39.460 5.990 5.213 6 HB3 TRP 1 HB1 TRP 1 41.042 5.481 4.577 7 HD1 TRP 1 HD1 TRP 1 40.897 4.143 2.120 8 HE1 TRP 1 HE1 TRP 1 39.432 4.704 0.046 9 HE3 TRP 1 HE3 TRP 1 37.321 7.005 4.408 10 HZ2 TRP 1 HZ2 TRP 1 37.034 6.198 -0.510 11 HZ3 TRP 1 HZ3 TRP 1 35.454 7.988 3.086 12 HH2 TRP 1 HH2 TRP 1 35.307 7.588 0.632 13 H LEU 2 HN LEU 2 42.176 3.157 5.481 14 HA LEU 2 HA LEU 2 42.024 2.523 8.300 15 HB2 LEU 2 HB2 LEU 2 44.568 3.198 6.786 16 HB3 LEU 2 HB1 LEU 2 44.350 2.071 8.147 17 HG LEU 2 HG LEU 2 43.300 1.733 5.304 18 HD11 LEU 2 HD11 LEU 2 45.264 0.082 6.953 19 HD12 LEU 2 HD12 LEU 2 45.733 1.264 5.708 20 HD13 LEU 2 HD13 LEU 2 44.813 -0.190 5.254 21 HD21 LEU 2 HD21 LEU 2 41.604 0.816 6.730 22 HD22 LEU 2 HD22 LEU 2 42.807 0.152 7.863 23 HD23 LEU 2 HD23 LEU 2 42.606 -0.572 6.248 24 H ARG 3 HN ARG 3 41.999 5.446 6.668 25 HA ARG 3 HA ARG 3 42.064 7.616 7.459 26 HB2 ARG 3 HB2 ARG 3 41.246 6.458 9.659 27 HB3 ARG 3 HB1 ARG 3 42.921 6.672 10.218 28 HG2 ARG 3 HG2 ARG 3 42.726 9.126 9.628 29 HG3 ARG 3 HG1 ARG 3 40.997 8.853 9.307 30 HD2 ARG 3 HD2 ARG 3 42.375 8.203 11.948 31 HD3 ARG 3 HD1 ARG 3 41.456 9.694 11.636 32 HE ARG 3 HE ARG 3 39.692 7.646 10.966 33 HH11 ARG 3 HH11 ARG 3 38.064 8.217 12.719 34 HH12 ARG 3 HH12 ARG 3 38.516 7.670 14.299 35 HH21 ARG 3 HH21 ARG 3 41.818 7.060 13.431 36 HH22 ARG 3 HH22 ARG 3 40.642 7.015 14.702 37 H ARG 4 HN ARG 4 44.613 5.937 9.383 38 HA ARG 4 HA ARG 4 46.530 8.011 9.085 39 HB2 ARG 4 HB2 ARG 4 48.211 6.190 9.605 40 HB3 ARG 4 HB1 ARG 4 46.859 6.314 10.757 41 HG2 ARG 4 HG2 ARG 4 45.732 4.427 9.766 42 HG3 ARG 4 HG1 ARG 4 46.861 4.396 8.391 43 HD2 ARG 4 HD2 ARG 4 47.342 2.649 10.155 44 HD3 ARG 4 HD1 ARG 4 48.704 3.749 9.834 45 HE ARG 4 HE ARG 4 47.290 4.926 11.948 46 HH11 ARG 4 HH11 ARG 4 50.058 4.193 12.421 47 HH12 ARG 4 HH12 ARG 4 49.956 2.887 13.554 48 HH21 ARG 4 HH21 ARG 4 46.606 2.248 12.916 49 HH22 ARG 4 HH22 ARG 4 48.000 1.785 13.833 50 H ILE 5 HN ILE 5 45.324 5.774 6.782 51 HA ILE 5 HA ILE 5 47.634 5.413 5.145 52 HB ILE 5 HB ILE 5 45.582 4.095 4.801 53 HG12 ILE 5 HG12 ILE 5 45.391 4.235 2.364 54 HG13 ILE 5 HG11 ILE 5 46.064 5.878 2.360 55 HG21 ILE 5 HG21 ILE 5 44.318 6.668 3.773 56 HG22 ILE 5 HG22 ILE 5 44.041 6.013 5.405 57 HG23 ILE 5 HG23 ILE 5 43.534 5.083 3.975 58 HD11 ILE 5 HD1 ILE 5 47.647 3.851 1.799 59 HD12 ILE 5 HD2 ILE 5 47.651 3.580 3.558 60 HD13 ILE 5 HD3 ILE 5 48.242 5.123 2.891 61 H GLY 6 HN GLY 6 45.364 8.074 5.535 62 HA2 GLY 6 HA1 GLY 6 47.108 9.999 4.402 63 HA3 GLY 6 HA2 GLY 6 45.985 9.486 3.127 64 H LYS 7 HN LYS 7 44.081 8.909 5.557 65 HA LYS 7 HA LYS 7 42.338 10.028 6.573 66 HB2 LYS 7 HB2 LYS 7 44.422 11.269 7.560 67 HB3 LYS 7 HB1 LYS 7 43.947 12.603 6.488 68 HG2 LYS 7 HG2 LYS 7 41.633 12.508 7.517 69 HG3 LYS 7 HG1 LYS 7 42.255 11.307 8.672 70 HD2 LYS 7 HD2 LYS 7 44.039 12.985 9.326 71 HD3 LYS 7 HD1 LYS 7 43.191 14.185 8.322 72 HE2 LYS 7 HE2 LYS 7 41.168 13.957 9.669 73 HE3 LYS 7 HE1 LYS 7 41.898 12.634 10.609 74 HZ1 LYS 7 HZ1 LYS 7 43.717 14.356 11.112 75 HZ2 LYS 7 HZ2 LYS 7 42.233 14.491 11.928 76 HZ3 LYS 7 HZ3 LYS 7 42.581 15.512 10.615 77 H GLY 8 HN GLY 8 42.295 13.174 5.957 78 HA2 GLY 8 HA1 GLY 8 40.351 12.879 3.788 79 HA3 GLY 8 HA2 GLY 8 40.807 14.376 4.624 80 H VAL 9 HN VAL 9 40.696 13.032 1.687 81 HA VAL 9 HA VAL 9 43.296 13.429 0.580 82 HB VAL 9 HB VAL 9 40.626 13.893 -0.822 83 HG11 VAL 9 HG11 VAL 9 42.488 14.652 -2.168 84 HG12 VAL 9 HG12 VAL 9 41.993 13.065 -2.800 85 HG13 VAL 9 HG13 VAL 9 43.439 13.201 -1.773 86 HG21 VAL 9 HG21 VAL 9 40.637 11.704 0.307 87 HG22 VAL 9 HG22 VAL 9 42.235 11.335 -0.385 88 HG23 VAL 9 HG23 VAL 9 40.816 11.482 -1.450 89 H LYS 10 HN LYS 10 40.914 15.639 1.722 90 HA LYS 10 HA LYS 10 40.964 17.938 1.931 91 HB2 LYS 10 HB2 LYS 10 43.506 17.488 2.187 92 HB3 LYS 10 HB1 LYS 10 43.642 18.041 0.501 93 HG2 LYS 10 HG2 LYS 10 42.286 20.122 1.272 94 HG3 LYS 10 HG1 LYS 10 42.672 19.598 2.927 95 HD2 LYS 10 HD2 LYS 10 44.687 20.188 0.714 96 HD3 LYS 10 HD1 LYS 10 44.343 21.230 2.115 97 HE2 LYS 10 HE2 LYS 10 45.649 18.486 2.081 98 HE3 LYS 10 HE1 LYS 10 46.301 20.012 2.722 99 HZ1 LYS 10 HZ1 LYS 10 44.117 18.340 3.837 100 HZ2 LYS 10 HZ2 LYS 10 44.356 19.953 4.316 101 HZ3 LYS 10 HZ3 LYS 10 45.574 18.796 4.576 102 H ILE 11 HN ILE 11 41.603 16.416 -1.146 103 HA ILE 11 HA ILE 11 40.523 18.838 -2.588 104 HB ILE 11 HB ILE 11 41.991 16.487 -3.831 105 HG12 ILE 11 HG12 ILE 11 43.125 19.098 -2.727 106 HG13 ILE 11 HG11 ILE 11 43.480 17.456 -2.139 107 HG21 ILE 11 HG21 ILE 11 40.574 18.146 -5.208 108 HG22 ILE 11 HG22 ILE 11 42.269 17.951 -5.709 109 HG23 ILE 11 HG23 ILE 11 41.779 19.379 -4.766 110 HD11 ILE 11 HD1 ILE 11 45.325 17.978 -3.540 111 HD12 ILE 11 HD2 ILE 11 44.290 18.738 -4.770 112 HD13 ILE 11 HD3 ILE 11 44.281 16.968 -4.568 113 H ILE 12 HN ILE 12 40.467 15.237 -2.584 114 HA ILE 12 HA ILE 12 37.991 15.288 -4.230 115 HB ILE 12 HB ILE 12 39.573 12.943 -3.107 116 HG12 ILE 12 HG12 ILE 12 39.700 14.225 -5.880 117 HG13 ILE 12 HG11 ILE 12 40.920 14.438 -4.606 118 HG21 ILE 12 HG21 ILE 12 37.251 12.374 -3.792 119 HG22 ILE 12 HG22 ILE 12 38.419 11.660 -4.915 120 HG23 ILE 12 HG23 ILE 12 37.527 13.128 -5.375 121 HD11 ILE 12 HD1 ILE 12 40.300 11.983 -6.263 122 HD12 ILE 12 HD2 ILE 12 40.958 11.766 -4.622 123 HD13 ILE 12 HD3 ILE 12 41.874 12.687 -5.836 124 H GLY 13 HN GLY 13 38.414 12.695 -1.905 125 HA2 GLY 13 HA1 GLY 13 35.807 12.980 -0.813 126 HA3 GLY 13 HA2 GLY 13 37.160 12.123 -0.037 127 H GLY 14 HN GLY 14 38.472 14.878 -0.663 128 HA2 GLY 14 HA1 GLY 14 38.117 15.991 2.038 129 HA3 GLY 14 HA2 GLY 14 39.247 16.540 0.783 130 H ALA 15 HN ALA 15 37.637 16.992 -1.419 131 HA ALA 15 HA ALA 15 36.183 19.422 -0.460 132 HB1 ALA 15 HB1 ALA 15 36.381 18.294 -3.276 133 HB2 ALA 15 HB2 ALA 15 37.569 19.417 -2.562 134 HB3 ALA 15 HB3 ALA 15 35.885 19.933 -2.800 135 H ALA 16 HN ALA 16 35.350 16.742 0.349 136 HA ALA 16 HA ALA 16 33.331 15.719 0.768 137 HB1 ALA 16 HB1 ALA 16 31.876 17.529 -1.172 138 HB2 ALA 16 HB2 ALA 16 32.443 18.163 0.390 139 HB3 ALA 16 HB3 ALA 16 31.298 16.802 0.345 140 H LEU 17 HN LEU 17 35.218 14.888 -1.251 141 HA LEU 17 HA LEU 17 35.299 13.448 -3.074 142 HB2 LEU 17 HB2 LEU 17 33.506 12.397 -1.314 143 HB3 LEU 17 HB1 LEU 17 32.440 12.569 -2.721 144 HG LEU 17 HG LEU 17 35.133 11.118 -2.714 145 HD11 LEU 17 HD11 LEU 17 33.526 9.846 -1.427 146 HD12 LEU 17 HD12 LEU 17 33.637 9.092 -3.036 147 HD13 LEU 17 HD13 LEU 17 32.250 10.134 -2.634 148 HD21 LEU 17 HD21 LEU 17 32.941 11.383 -4.825 149 HD22 LEU 17 HD22 LEU 17 34.354 10.310 -4.951 150 HD23 LEU 17 HD23 LEU 17 34.580 12.074 -4.915 151 H ASP 18 HN ASP 18 34.593 16.134 -3.625 152 HA ASP 18 HA ASP 18 33.804 17.427 -5.374 153 HB2 ASP 18 HB2 ASP 18 34.973 15.586 -6.676 154 HB3 ASP 18 HB1 ASP 18 33.381 14.816 -6.872 155 H HIS 19 HN HIS 19 31.891 15.391 -3.641 156 HA HIS 19 HA HIS 19 29.481 16.827 -4.292 157 HB2 HIS 19 HB2 HIS 19 29.577 15.339 -6.299 158 HB3 HIS 19 HB1 HIS 19 29.557 13.927 -5.216 159 HD1 HIS 19 HD1 HIS 19 27.310 13.067 -4.527 160 HD2 HIS 19 HD2 HIS 19 27.148 17.069 -5.808 161 HE1 HIS 19 HE1 HIS 19 24.848 13.751 -4.583 162 H LEU 20 HN LEU 20 30.015 13.375 -3.488 163 HA LEU 20 HA LEU 20 28.210 13.312 -1.326 164 HB2 LEU 20 HB2 LEU 20 29.588 11.422 -2.580 165 HB3 LEU 20 HB1 LEU 20 30.747 11.652 -1.253 166 HG LEU 20 HG LEU 20 27.786 10.952 -0.980 167 HD11 LEU 20 HD11 LEU 20 28.583 8.804 -0.189 168 HD12 LEU 20 HD12 LEU 20 30.272 9.363 -0.215 169 HD13 LEU 20 HD13 LEU 20 29.385 9.137 -1.742 170 HD21 LEU 20 HD21 LEU 20 28.303 12.311 0.914 171 HD22 LEU 20 HD22 LEU 20 29.942 11.632 1.061 172 HD23 LEU 20 HD23 LEU 20 28.525 10.644 1.492 Start of MODEL 94 1 H1 TRP 1 HT1 TRP 1 41.599 2.127 -4.542 2 H2 TRP 1 HT2 TRP 1 42.088 3.697 -4.970 3 H3 TRP 1 HT3 TRP 1 40.494 3.408 -4.457 4 HA TRP 1 HA TRP 1 41.037 3.217 -2.294 5 HB2 TRP 1 HB2 TRP 1 43.847 2.543 -3.250 6 HB3 TRP 1 HB1 TRP 1 43.362 2.685 -1.543 7 HD1 TRP 1 HD1 TRP 1 41.093 1.064 -0.940 8 HE1 TRP 1 HE1 TRP 1 40.725 -1.433 -1.568 9 HE3 TRP 1 HE3 TRP 1 44.397 0.717 -4.836 10 HZ2 TRP 1 HZ2 TRP 1 41.746 -3.300 -3.508 11 HZ3 TRP 1 HZ3 TRP 1 44.683 -1.432 -6.061 12 HH2 TRP 1 HH2 TRP 1 43.362 -3.438 -5.401 13 H LEU 2 HN LEU 2 42.445 4.582 -0.766 14 HA LEU 2 HA LEU 2 42.406 7.297 -1.784 15 HB2 LEU 2 HB2 LEU 2 43.772 6.373 0.765 16 HB3 LEU 2 HB1 LEU 2 43.005 7.943 0.423 17 HG LEU 2 HG LEU 2 41.600 5.250 0.715 18 HD11 LEU 2 HD11 LEU 2 41.392 7.813 2.355 19 HD12 LEU 2 HD12 LEU 2 42.377 6.405 2.817 20 HD13 LEU 2 HD13 LEU 2 40.608 6.254 2.703 21 HD21 LEU 2 HD21 LEU 2 39.515 6.780 0.555 22 HD22 LEU 2 HD22 LEU 2 40.375 6.439 -0.963 23 HD23 LEU 2 HD23 LEU 2 40.606 8.001 -0.140 24 H ARG 3 HN ARG 3 44.585 4.791 -2.152 25 HA ARG 3 HA ARG 3 46.719 4.699 -3.028 26 HB2 ARG 3 HB2 ARG 3 46.627 7.715 -3.356 27 HB3 ARG 3 HB1 ARG 3 47.612 6.542 -4.257 28 HG2 ARG 3 HG2 ARG 3 45.468 5.492 -5.096 29 HG3 ARG 3 HG1 ARG 3 44.580 6.839 -4.348 30 HD2 ARG 3 HD2 ARG 3 46.681 7.016 -6.546 31 HD3 ARG 3 HD1 ARG 3 44.949 7.408 -6.674 32 HE ARG 3 HE ARG 3 46.109 9.021 -4.613 33 HH11 ARG 3 HH11 ARG 3 44.400 9.963 -6.942 34 HH12 ARG 3 HH12 ARG 3 45.514 10.983 -7.789 35 HH21 ARG 3 HH21 ARG 3 48.310 9.727 -6.169 36 HH22 ARG 3 HH22 ARG 3 47.727 10.851 -7.351 37 H ARG 4 HN ARG 4 45.935 6.628 -0.317 38 HA ARG 4 HA ARG 4 48.776 6.414 0.650 39 HB2 ARG 4 HB2 ARG 4 46.892 8.794 0.883 40 HB3 ARG 4 HB1 ARG 4 48.375 8.602 1.847 41 HG2 ARG 4 HG2 ARG 4 49.737 8.519 -0.186 42 HG3 ARG 4 HG1 ARG 4 48.276 8.583 -1.200 43 HD2 ARG 4 HD2 ARG 4 47.726 10.812 -0.313 44 HD3 ARG 4 HD1 ARG 4 49.141 10.748 0.765 45 HE ARG 4 HE ARG 4 49.217 11.553 -1.972 46 HH11 ARG 4 HH11 ARG 4 51.001 10.214 0.602 47 HH12 ARG 4 HH12 ARG 4 52.452 9.993 -0.317 48 HH21 ARG 4 HH21 ARG 4 51.012 10.953 -3.322 49 HH22 ARG 4 HH22 ARG 4 52.458 10.411 -2.538 50 H ILE 5 HN ILE 5 45.663 5.425 0.958 51 HA ILE 5 HA ILE 5 44.397 4.574 2.703 52 HB ILE 5 HB ILE 5 47.028 4.126 4.171 53 HG12 ILE 5 HG12 ILE 5 45.878 2.592 1.793 54 HG13 ILE 5 HG11 ILE 5 47.397 3.516 1.818 55 HG21 ILE 5 HG21 ILE 5 44.713 3.513 5.151 56 HG22 ILE 5 HG22 ILE 5 45.923 2.212 5.081 57 HG23 ILE 5 HG23 ILE 5 44.621 2.283 3.868 58 HD11 ILE 5 HD1 ILE 5 48.092 1.962 3.782 59 HD12 ILE 5 HD2 ILE 5 48.076 1.262 2.146 60 HD13 ILE 5 HD3 ILE 5 46.735 0.931 3.268 61 H GLY 6 HN GLY 6 44.249 7.228 2.836 62 HA2 GLY 6 HA1 GLY 6 43.360 7.919 5.303 63 HA3 GLY 6 HA2 GLY 6 45.106 8.175 5.503 64 H LYS 7 HN LYS 7 46.165 9.518 3.756 65 HA LYS 7 HA LYS 7 44.761 12.053 3.645 66 HB2 LYS 7 HB2 LYS 7 47.286 11.166 2.187 67 HB3 LYS 7 HB1 LYS 7 46.742 12.842 2.438 68 HG2 LYS 7 HG2 LYS 7 47.060 12.703 4.809 69 HG3 LYS 7 HG1 LYS 7 47.248 10.934 4.756 70 HD2 LYS 7 HD2 LYS 7 49.443 12.056 5.008 71 HD3 LYS 7 HD1 LYS 7 49.342 11.183 3.463 72 HE2 LYS 7 HE2 LYS 7 49.067 13.184 2.215 73 HE3 LYS 7 HE1 LYS 7 48.623 14.130 3.657 74 HZ1 LYS 7 HZ1 LYS 7 50.758 14.462 4.173 75 HZ2 LYS 7 HZ2 LYS 7 51.094 14.007 2.571 76 HZ3 LYS 7 HZ3 LYS 7 51.214 12.866 3.824 77 H GLY 8 HN GLY 8 45.616 12.952 1.051 78 HA2 GLY 8 HA1 GLY 8 45.039 12.823 -1.213 79 HA3 GLY 8 HA2 GLY 8 44.264 11.252 -0.933 80 H VAL 9 HN VAL 9 42.731 12.426 1.386 81 HA VAL 9 HA VAL 9 40.435 13.298 -0.212 82 HB VAL 9 HB VAL 9 39.327 13.525 2.057 83 HG11 VAL 9 HG11 VAL 9 39.300 11.092 2.474 84 HG12 VAL 9 HG12 VAL 9 40.775 10.898 1.498 85 HG13 VAL 9 HG13 VAL 9 39.259 11.426 0.727 86 HG21 VAL 9 HG21 VAL 9 41.962 12.342 3.046 87 HG22 VAL 9 HG22 VAL 9 40.530 12.736 4.026 88 HG23 VAL 9 HG23 VAL 9 41.483 14.040 3.278 89 H LYS 10 HN LYS 10 42.875 15.005 -0.184 90 HA LYS 10 HA LYS 10 42.136 17.381 1.381 91 HB2 LYS 10 HB2 LYS 10 44.492 16.881 0.994 92 HB3 LYS 10 HB1 LYS 10 44.241 16.869 -0.763 93 HG2 LYS 10 HG2 LYS 10 45.280 18.990 0.053 94 HG3 LYS 10 HG1 LYS 10 43.722 19.269 -0.749 95 HD2 LYS 10 HD2 LYS 10 42.597 19.671 1.311 96 HD3 LYS 10 HD1 LYS 10 43.888 18.906 2.269 97 HE2 LYS 10 HE2 LYS 10 44.294 21.443 0.631 98 HE3 LYS 10 HE1 LYS 10 43.840 21.452 2.351 99 HZ1 LYS 10 HZ1 LYS 10 46.386 20.950 1.142 100 HZ2 LYS 10 HZ2 LYS 10 45.935 19.697 2.198 101 HZ3 LYS 10 HZ3 LYS 10 46.008 21.300 2.758 102 H ILE 11 HN ILE 11 41.313 15.986 -1.638 103 HA ILE 11 HA ILE 11 39.979 18.553 -2.491 104 HB ILE 11 HB ILE 11 41.196 16.531 -4.410 105 HG12 ILE 11 HG12 ILE 11 42.387 19.123 -3.320 106 HG13 ILE 11 HG11 ILE 11 43.022 17.481 -3.072 107 HG21 ILE 11 HG21 ILE 11 39.317 18.156 -5.107 108 HG22 ILE 11 HG22 ILE 11 40.808 18.219 -6.074 109 HG23 ILE 11 HG23 ILE 11 40.492 19.466 -4.844 110 HD11 ILE 11 HD1 ILE 11 44.346 18.350 -4.841 111 HD12 ILE 11 HD2 ILE 11 42.948 19.115 -5.631 112 HD13 ILE 11 HD3 ILE 11 43.135 17.344 -5.671 113 H ILE 12 HN ILE 12 40.152 15.003 -2.649 114 HA ILE 12 HA ILE 12 37.534 14.733 -3.908 115 HB ILE 12 HB ILE 12 39.270 12.780 -2.365 116 HG12 ILE 12 HG12 ILE 12 38.949 13.070 -5.391 117 HG13 ILE 12 HG11 ILE 12 40.252 13.853 -4.472 118 HG21 ILE 12 HG21 ILE 12 36.747 12.426 -4.032 119 HG22 ILE 12 HG22 ILE 12 37.110 11.788 -2.411 120 HG23 ILE 12 HG23 ILE 12 37.897 11.086 -3.835 121 HD11 ILE 12 HD1 ILE 12 41.337 11.886 -5.113 122 HD12 ILE 12 HD2 ILE 12 39.845 10.921 -5.093 123 HD13 ILE 12 HD3 ILE 12 40.650 11.347 -3.565 124 H GLY 13 HN GLY 13 38.347 12.954 -0.957 125 HA2 GLY 13 HA1 GLY 13 35.774 13.414 0.225 126 HA3 GLY 13 HA2 GLY 13 37.227 12.825 1.068 127 H GLY 14 HN GLY 14 38.269 15.345 -0.531 128 HA2 GLY 14 HA1 GLY 14 38.213 17.158 1.807 129 HA3 GLY 14 HA2 GLY 14 39.115 17.383 0.290 130 H ALA 15 HN ALA 15 37.121 17.081 -1.620 131 HA ALA 15 HA ALA 15 35.581 19.617 -1.142 132 HB1 ALA 15 HB1 ALA 15 35.069 19.516 -3.510 133 HB2 ALA 15 HB2 ALA 15 35.739 17.872 -3.632 134 HB3 ALA 15 HB3 ALA 15 36.815 19.253 -3.303 135 H ALA 16 HN ALA 16 35.138 17.127 0.306 136 HA ALA 16 HA ALA 16 33.312 15.966 1.102 137 HB1 ALA 16 HB1 ALA 16 31.131 16.766 0.748 138 HB2 ALA 16 HB2 ALA 16 31.493 17.330 -0.900 139 HB3 ALA 16 HB3 ALA 16 32.129 18.218 0.504 140 H LEU 17 HN LEU 17 35.014 14.789 -0.702 141 HA LEU 17 HA LEU 17 35.087 12.947 -2.117 142 HB2 LEU 17 HB2 LEU 17 32.074 12.669 -1.805 143 HB3 LEU 17 HB1 LEU 17 33.237 11.410 -2.257 144 HG LEU 17 HG LEU 17 33.505 12.822 0.426 145 HD11 LEU 17 HD11 LEU 17 31.652 10.506 -0.262 146 HD12 LEU 17 HD12 LEU 17 31.199 12.080 0.434 147 HD13 LEU 17 HD13 LEU 17 32.150 10.923 1.395 148 HD21 LEU 17 HD21 LEU 17 34.651 10.797 1.065 149 HD22 LEU 17 HD22 LEU 17 35.285 11.237 -0.537 150 HD23 LEU 17 HD23 LEU 17 34.082 9.939 -0.386 151 H ASP 18 HN ASP 18 34.013 15.800 -2.895 152 HA ASP 18 HA ASP 18 33.445 16.857 -4.878 153 HB2 ASP 18 HB2 ASP 18 35.454 15.542 -5.643 154 HB3 ASP 18 HB1 ASP 18 34.341 14.274 -6.210 155 H HIS 19 HN HIS 19 31.297 15.756 -3.553 156 HA HIS 19 HA HIS 19 29.120 15.005 -3.869 157 HB2 HIS 19 HB2 HIS 19 29.682 16.177 -6.620 158 HB3 HIS 19 HB1 HIS 19 28.067 15.724 -6.026 159 HD1 HIS 19 HD1 HIS 19 27.647 18.419 -6.392 160 HD2 HIS 19 HD2 HIS 19 30.077 17.256 -3.163 161 HE1 HIS 19 HE1 HIS 19 27.813 20.415 -4.806 162 H LEU 20 HN LEU 20 30.833 12.910 -3.966 163 HA LEU 20 HA LEU 20 31.061 10.744 -4.760 164 HB2 LEU 20 HB2 LEU 20 28.351 11.071 -6.087 165 HB3 LEU 20 HB1 LEU 20 29.061 9.618 -5.343 166 HG LEU 20 HG LEU 20 28.135 12.142 -3.900 167 HD11 LEU 20 HD11 LEU 20 26.464 10.657 -2.908 168 HD12 LEU 20 HD12 LEU 20 27.166 9.253 -3.747 169 HD13 LEU 20 HD13 LEU 20 26.364 10.539 -4.681 170 HD21 LEU 20 HD21 LEU 20 29.615 9.656 -2.936 171 HD22 LEU 20 HD22 LEU 20 28.674 10.692 -1.835 172 HD23 LEU 20 HD23 LEU 20 30.070 11.362 -2.710 Start of MODEL 95 1 H1 TRP 1 HT1 TRP 1 31.571 17.573 10.293 2 H2 TRP 1 HT2 TRP 1 32.752 18.785 10.452 3 H3 TRP 1 HT3 TRP 1 32.014 18.124 11.834 4 HA TRP 1 HA TRP 1 34.362 17.360 10.727 5 HB2 TRP 1 HB2 TRP 1 34.093 15.411 12.340 6 HB3 TRP 1 HB1 TRP 1 33.840 17.025 13.046 7 HD1 TRP 1 HD1 TRP 1 31.924 13.909 11.894 8 HE1 TRP 1 HE1 TRP 1 29.544 13.918 12.943 9 HE3 TRP 1 HE3 TRP 1 32.005 18.556 14.042 10 HZ2 TRP 1 HZ2 TRP 1 27.923 15.719 14.500 11 HZ3 TRP 1 HZ3 TRP 1 30.030 19.399 15.305 12 HH2 TRP 1 HH2 TRP 1 27.991 17.986 15.536 13 H LEU 2 HN LEU 2 35.138 15.608 9.593 14 HA LEU 2 HA LEU 2 33.339 14.508 7.605 15 HB2 LEU 2 HB2 LEU 2 36.106 13.455 8.269 16 HB3 LEU 2 HB1 LEU 2 35.260 13.434 6.704 17 HG LEU 2 HG LEU 2 36.256 15.914 8.179 18 HD11 LEU 2 HD11 LEU 2 37.160 14.569 5.593 19 HD12 LEU 2 HD12 LEU 2 38.046 14.558 7.137 20 HD13 LEU 2 HD13 LEU 2 37.811 16.087 6.256 21 HD21 LEU 2 HD21 LEU 2 35.623 16.988 5.904 22 HD22 LEU 2 HD22 LEU 2 34.283 16.574 6.996 23 HD23 LEU 2 HD23 LEU 2 34.660 15.519 5.612 24 H ARG 3 HN ARG 3 35.470 12.731 9.836 25 HA ARG 3 HA ARG 3 33.286 11.114 10.901 26 HB2 ARG 3 HB2 ARG 3 33.586 10.086 8.637 27 HB3 ARG 3 HB1 ARG 3 35.294 9.784 9.033 28 HG2 ARG 3 HG2 ARG 3 34.689 8.315 10.859 29 HG3 ARG 3 HG1 ARG 3 32.970 8.754 10.710 30 HD2 ARG 3 HD2 ARG 3 32.800 7.680 8.555 31 HD3 ARG 3 HD1 ARG 3 34.562 7.449 8.465 32 HE ARG 3 HE ARG 3 33.453 6.153 10.809 33 HH11 ARG 3 HH11 ARG 3 34.423 4.001 10.638 34 HH12 ARG 3 HH12 ARG 3 34.105 3.127 9.177 35 HH21 ARG 3 HH21 ARG 3 32.781 5.867 7.513 36 HH22 ARG 3 HH22 ARG 3 33.175 4.184 7.408 37 H ARG 4 HN ARG 4 36.472 12.236 10.579 38 HA ARG 4 HA ARG 4 37.121 11.579 13.322 39 HB2 ARG 4 HB2 ARG 4 37.566 9.398 11.958 40 HB3 ARG 4 HB1 ARG 4 38.940 10.280 11.257 41 HG2 ARG 4 HG2 ARG 4 39.921 10.617 13.469 42 HG3 ARG 4 HG1 ARG 4 38.487 9.914 14.255 43 HD2 ARG 4 HD2 ARG 4 38.933 7.766 13.029 44 HD3 ARG 4 HD1 ARG 4 40.437 8.481 12.402 45 HE ARG 4 HE ARG 4 40.009 7.486 15.115 46 HH11 ARG 4 HH11 ARG 4 41.164 8.949 16.700 47 HH12 ARG 4 HH12 ARG 4 42.750 9.433 16.194 48 HH21 ARG 4 HH21 ARG 4 42.290 8.444 12.903 49 HH22 ARG 4 HH22 ARG 4 43.386 9.148 14.044 50 H ILE 5 HN ILE 5 37.050 13.533 10.815 51 HA ILE 5 HA ILE 5 38.398 15.232 9.942 52 HB ILE 5 HB ILE 5 39.177 16.831 11.688 53 HG12 ILE 5 HG12 ILE 5 38.199 14.742 13.696 54 HG13 ILE 5 HG11 ILE 5 39.915 15.023 13.332 55 HG21 ILE 5 HG21 ILE 5 36.458 15.654 12.396 56 HG22 ILE 5 HG22 ILE 5 36.756 16.606 10.924 57 HG23 ILE 5 HG23 ILE 5 36.976 17.351 12.523 58 HD11 ILE 5 HD1 ILE 5 37.923 16.910 14.632 59 HD12 ILE 5 HD2 ILE 5 39.435 17.511 13.910 60 HD13 ILE 5 HD3 ILE 5 39.490 16.349 15.254 61 H GLY 6 HN GLY 6 39.803 12.625 10.302 62 HA2 GLY 6 HA1 GLY 6 42.620 13.637 10.653 63 HA3 GLY 6 HA2 GLY 6 42.091 11.959 10.884 64 H LYS 7 HN LYS 7 41.002 10.963 8.886 65 HA LYS 7 HA LYS 7 42.944 11.195 6.703 66 HB2 LYS 7 HB2 LYS 7 41.839 9.040 7.533 67 HB3 LYS 7 HB1 LYS 7 40.355 9.602 6.736 68 HG2 LYS 7 HG2 LYS 7 41.300 8.318 5.017 69 HG3 LYS 7 HG1 LYS 7 41.963 9.919 4.623 70 HD2 LYS 7 HD2 LYS 7 44.065 9.355 5.791 71 HD3 LYS 7 HD1 LYS 7 43.393 7.779 6.269 72 HE2 LYS 7 HE2 LYS 7 43.656 8.679 3.373 73 HE3 LYS 7 HE1 LYS 7 44.895 7.721 4.218 74 HZ1 LYS 7 HZ1 LYS 7 43.156 6.459 2.896 75 HZ2 LYS 7 HZ2 LYS 7 42.053 6.877 4.118 76 HZ3 LYS 7 HZ3 LYS 7 43.422 5.941 4.488 77 H GLY 8 HN GLY 8 42.746 12.218 4.796 78 HA2 GLY 8 HA1 GLY 8 40.258 12.843 3.546 79 HA3 GLY 8 HA2 GLY 8 40.802 14.261 4.463 80 H VAL 9 HN VAL 9 40.581 13.377 1.476 81 HA VAL 9 HA VAL 9 43.328 13.526 0.517 82 HB VAL 9 HB VAL 9 40.755 14.074 -1.030 83 HG11 VAL 9 HG11 VAL 9 42.216 13.154 -2.922 84 HG12 VAL 9 HG12 VAL 9 43.599 13.310 -1.814 85 HG13 VAL 9 HG13 VAL 9 42.682 14.754 -2.304 86 HG21 VAL 9 HG21 VAL 9 42.240 11.457 -0.516 87 HG22 VAL 9 HG22 VAL 9 40.869 11.660 -1.634 88 HG23 VAL 9 HG23 VAL 9 40.633 11.891 0.115 89 H LYS 10 HN LYS 10 41.058 15.782 1.695 90 HA LYS 10 HA LYS 10 41.154 18.079 1.925 91 HB2 LYS 10 HB2 LYS 10 43.858 18.036 0.545 92 HB3 LYS 10 HB1 LYS 10 43.201 19.282 1.621 93 HG2 LYS 10 HG2 LYS 10 43.373 17.892 3.548 94 HG3 LYS 10 HG1 LYS 10 43.596 16.419 2.578 95 HD2 LYS 10 HD2 LYS 10 45.748 17.121 3.516 96 HD3 LYS 10 HD1 LYS 10 45.765 17.311 1.746 97 HE2 LYS 10 HE2 LYS 10 44.980 19.636 3.539 98 HE3 LYS 10 HE1 LYS 10 46.690 19.272 3.215 99 HZ1 LYS 10 HZ1 LYS 10 44.718 20.444 1.494 100 HZ2 LYS 10 HZ2 LYS 10 45.508 19.129 0.761 101 HZ3 LYS 10 HZ3 LYS 10 46.409 20.440 1.360 102 H ILE 11 HN ILE 11 41.431 16.500 -1.081 103 HA ILE 11 HA ILE 11 40.563 19.008 -2.536 104 HB ILE 11 HB ILE 11 41.955 16.600 -3.756 105 HG12 ILE 11 HG12 ILE 11 43.143 19.246 -2.798 106 HG13 ILE 11 HG11 ILE 11 43.470 17.640 -2.112 107 HG21 ILE 11 HG21 ILE 11 40.540 18.215 -5.181 108 HG22 ILE 11 HG22 ILE 11 42.233 18.016 -5.683 109 HG23 ILE 11 HG23 ILE 11 41.737 19.466 -4.776 110 HD11 ILE 11 HD1 ILE 11 45.313 18.013 -3.551 111 HD12 ILE 11 HD2 ILE 11 44.297 18.748 -4.811 112 HD13 ILE 11 HD3 ILE 11 44.231 16.990 -4.525 113 H ILE 12 HN ILE 12 40.330 15.438 -2.372 114 HA ILE 12 HA ILE 12 37.830 15.549 -4.011 115 HB ILE 12 HB ILE 12 39.414 13.167 -2.972 116 HG12 ILE 12 HG12 ILE 12 39.396 14.404 -5.767 117 HG13 ILE 12 HG11 ILE 12 40.675 14.676 -4.566 118 HG21 ILE 12 HG21 ILE 12 37.068 12.607 -3.512 119 HG22 ILE 12 HG22 ILE 12 38.133 11.934 -4.758 120 HG23 ILE 12 HG23 ILE 12 37.214 13.422 -5.084 121 HD11 ILE 12 HD1 ILE 12 40.015 12.161 -6.115 122 HD12 ILE 12 HD2 ILE 12 40.758 12.003 -4.506 123 HD13 ILE 12 HD3 ILE 12 41.596 12.902 -5.789 124 H GLY 13 HN GLY 13 38.329 12.950 -1.700 125 HA2 GLY 13 HA1 GLY 13 35.769 13.288 -0.500 126 HA3 GLY 13 HA2 GLY 13 37.129 12.378 0.201 127 H GLY 14 HN GLY 14 38.480 15.122 -0.476 128 HA2 GLY 14 HA1 GLY 14 38.262 16.211 2.264 129 HA3 GLY 14 HA2 GLY 14 39.380 16.725 0.984 130 H ALA 15 HN ALA 15 37.721 17.227 -1.166 131 HA ALA 15 HA ALA 15 36.399 19.720 -0.192 132 HB1 ALA 15 HB1 ALA 15 37.750 19.598 -2.330 133 HB2 ALA 15 HB2 ALA 15 36.104 20.248 -2.517 134 HB3 ALA 15 HB3 ALA 15 36.459 18.574 -3.004 135 H ALA 16 HN ALA 16 35.470 17.094 0.665 136 HA ALA 16 HA ALA 16 33.420 16.160 1.139 137 HB1 ALA 16 HB1 ALA 16 31.427 17.326 0.753 138 HB2 ALA 16 HB2 ALA 16 32.002 18.022 -0.780 139 HB3 ALA 16 HB3 ALA 16 32.632 18.634 0.768 140 H LEU 17 HN LEU 17 35.199 15.174 -0.888 141 HA LEU 17 HA LEU 17 35.161 13.760 -2.744 142 HB2 LEU 17 HB2 LEU 17 33.424 12.781 -0.864 143 HB3 LEU 17 HB1 LEU 17 32.318 12.916 -2.246 144 HG LEU 17 HG LEU 17 35.002 11.450 -2.269 145 HD11 LEU 17 HD11 LEU 17 33.192 10.390 -0.871 146 HD12 LEU 17 HD12 LEU 17 33.679 9.407 -2.273 147 HD13 LEU 17 HD13 LEU 17 32.164 10.340 -2.322 148 HD21 LEU 17 HD21 LEU 17 34.413 12.328 -4.482 149 HD22 LEU 17 HD22 LEU 17 32.758 11.686 -4.325 150 HD23 LEU 17 HD23 LEU 17 34.138 10.570 -4.455 151 H ASP 18 HN ASP 18 34.229 16.528 -3.104 152 HA ASP 18 HA ASP 18 33.250 17.833 -4.746 153 HB2 ASP 18 HB2 ASP 18 34.730 16.523 -6.206 154 HB3 ASP 18 HB1 ASP 18 33.485 15.260 -6.357 155 H HIS 19 HN HIS 19 31.778 14.806 -5.917 156 HA HIS 19 HA HIS 19 29.213 15.830 -6.310 157 HB2 HIS 19 HB2 HIS 19 30.076 13.557 -6.998 158 HB3 HIS 19 HB1 HIS 19 29.807 13.013 -5.326 159 HD1 HIS 19 HD1 HIS 19 27.631 11.837 -5.070 160 HD2 HIS 19 HD2 HIS 19 27.407 14.949 -7.892 161 HE1 HIS 19 HE1 HIS 19 25.239 11.879 -5.969 162 H LEU 20 HN LEU 20 30.065 13.742 -3.501 163 HA LEU 20 HA LEU 20 27.717 14.668 -2.029 164 HB2 LEU 20 HB2 LEU 20 30.121 13.184 -0.907 165 HB3 LEU 20 HB1 LEU 20 28.450 13.190 -0.294 166 HG LEU 20 HG LEU 20 29.398 12.019 -2.949 167 HD11 LEU 20 HD11 LEU 20 28.319 10.738 -0.397 168 HD12 LEU 20 HD12 LEU 20 30.003 10.670 -0.971 169 HD13 LEU 20 HD13 LEU 20 28.712 9.869 -1.900 170 HD21 LEU 20 HD21 LEU 20 27.189 12.811 -3.361 171 HD22 LEU 20 HD22 LEU 20 26.639 12.405 -1.716 172 HD23 LEU 20 HD23 LEU 20 26.951 11.111 -2.899 Start of MODEL 96 1 H1 TRP 1 HT1 TRP 1 45.196 11.546 12.121 2 H2 TRP 1 HT2 TRP 1 45.779 10.365 11.048 3 H3 TRP 1 HT3 TRP 1 45.545 9.987 12.689 4 HA TRP 1 HA TRP 1 43.195 10.298 12.472 5 HB2 TRP 1 HB2 TRP 1 43.915 10.849 9.567 6 HB3 TRP 1 HB1 TRP 1 42.262 10.578 10.168 7 HD1 TRP 1 HD1 TRP 1 41.219 12.430 11.780 8 HE1 TRP 1 HE1 TRP 1 41.762 14.947 12.152 9 HE3 TRP 1 HE3 TRP 1 45.846 12.588 9.597 10 HZ2 TRP 1 HZ2 TRP 1 43.927 16.754 11.567 11 HZ3 TRP 1 HZ3 TRP 1 47.132 14.718 9.515 12 HH2 TRP 1 HH2 TRP 1 46.178 16.799 10.496 13 H LEU 2 HN LEU 2 42.067 8.424 12.343 14 HA LEU 2 HA LEU 2 43.535 6.016 11.698 15 HB2 LEU 2 HB2 LEU 2 40.584 6.522 12.268 16 HB3 LEU 2 HB1 LEU 2 41.296 4.908 12.065 17 HG LEU 2 HG LEU 2 42.973 5.604 13.922 18 HD11 LEU 2 HD11 LEU 2 40.899 7.818 14.154 19 HD12 LEU 2 HD12 LEU 2 42.672 7.953 14.139 20 HD13 LEU 2 HD13 LEU 2 41.848 7.280 15.558 21 HD21 LEU 2 HD21 LEU 2 40.014 5.299 14.603 22 HD22 LEU 2 HD22 LEU 2 41.373 4.955 15.699 23 HD23 LEU 2 HD23 LEU 2 41.135 3.967 14.239 24 H ARG 3 HN ARG 3 41.913 8.288 9.837 25 HA ARG 3 HA ARG 3 41.541 8.364 7.549 26 HB2 ARG 3 HB2 ARG 3 43.520 6.626 7.535 27 HB3 ARG 3 HB1 ARG 3 42.244 5.428 7.220 28 HG2 ARG 3 HG2 ARG 3 41.471 6.838 5.283 29 HG3 ARG 3 HG1 ARG 3 42.870 7.904 5.555 30 HD2 ARG 3 HD2 ARG 3 44.361 5.869 5.320 31 HD3 ARG 3 HD1 ARG 3 42.920 4.946 4.831 32 HE ARG 3 HE ARG 3 43.101 5.968 2.717 33 HH11 ARG 3 HH11 ARG 3 44.995 7.605 5.074 34 HH12 ARG 3 HH12 ARG 3 45.484 8.872 4.000 35 HH21 ARG 3 HH21 ARG 3 43.595 7.706 1.336 36 HH22 ARG 3 HH22 ARG 3 44.692 8.929 1.883 37 H ARG 4 HN ARG 4 40.423 5.495 9.322 38 HA ARG 4 HA ARG 4 38.129 5.071 7.548 39 HB2 ARG 4 HB2 ARG 4 38.481 4.044 10.387 40 HB3 ARG 4 HB1 ARG 4 37.498 3.344 9.078 41 HG2 ARG 4 HG2 ARG 4 40.541 3.564 9.110 42 HG3 ARG 4 HG1 ARG 4 39.599 2.077 9.362 43 HD2 ARG 4 HD2 ARG 4 40.172 1.947 7.076 44 HD3 ARG 4 HD1 ARG 4 38.538 2.649 7.018 45 HE ARG 4 HE ARG 4 40.550 4.726 7.151 46 HH11 ARG 4 HH11 ARG 4 40.704 2.277 4.981 47 HH12 ARG 4 HH12 ARG 4 40.274 3.201 3.580 48 HH21 ARG 4 HH21 ARG 4 39.288 5.986 5.394 49 HH22 ARG 4 HH22 ARG 4 39.475 5.302 3.814 50 H ILE 5 HN ILE 5 38.901 7.126 10.217 51 HA ILE 5 HA ILE 5 36.307 7.475 11.358 52 HB ILE 5 HB ILE 5 38.437 8.348 12.353 53 HG12 ILE 5 HG12 ILE 5 36.333 10.498 11.813 54 HG13 ILE 5 HG11 ILE 5 36.186 9.214 13.034 55 HG21 ILE 5 HG21 ILE 5 39.254 9.228 10.061 56 HG22 ILE 5 HG22 ILE 5 39.543 10.267 11.474 57 HG23 ILE 5 HG23 ILE 5 38.207 10.636 10.359 58 HD11 ILE 5 HD1 ILE 5 38.435 10.080 13.973 59 HD12 ILE 5 HD2 ILE 5 37.006 11.109 14.228 60 HD13 ILE 5 HD3 ILE 5 38.174 11.511 12.947 61 H GLY 6 HN GLY 6 37.952 9.118 8.643 62 HA2 GLY 6 HA1 GLY 6 35.414 9.696 7.367 63 HA3 GLY 6 HA2 GLY 6 36.118 11.148 8.109 64 H LYS 7 HN LYS 7 38.633 9.131 7.356 65 HA LYS 7 HA LYS 7 40.271 9.231 5.726 66 HB2 LYS 7 HB2 LYS 7 38.475 8.119 4.408 67 HB3 LYS 7 HB1 LYS 7 37.931 9.714 3.841 68 HG2 LYS 7 HG2 LYS 7 40.087 10.133 2.780 69 HG3 LYS 7 HG1 LYS 7 40.754 8.628 3.459 70 HD2 LYS 7 HD2 LYS 7 38.929 7.371 2.208 71 HD3 LYS 7 HD1 LYS 7 38.536 8.902 1.390 72 HE2 LYS 7 HE2 LYS 7 40.892 9.054 0.585 73 HE3 LYS 7 HE1 LYS 7 41.236 7.486 1.353 74 HZ1 LYS 7 HZ1 LYS 7 38.902 7.342 -0.266 75 HZ2 LYS 7 HZ2 LYS 7 40.333 6.430 -0.360 76 HZ3 LYS 7 HZ3 LYS 7 40.214 7.916 -1.176 77 H GLY 8 HN GLY 8 38.060 11.498 4.069 78 HA2 GLY 8 HA1 GLY 8 38.410 13.685 3.406 79 HA3 GLY 8 HA2 GLY 8 39.155 13.918 5.001 80 H VAL 9 HN VAL 9 39.681 13.347 1.589 81 HA VAL 9 HA VAL 9 42.556 12.974 1.806 82 HB VAL 9 HB VAL 9 40.845 13.830 -0.574 83 HG11 VAL 9 HG11 VAL 9 42.872 12.919 -1.851 84 HG12 VAL 9 HG12 VAL 9 43.753 12.962 -0.305 85 HG13 VAL 9 HG13 VAL 9 43.129 14.469 -1.016 86 HG21 VAL 9 HG21 VAL 9 42.001 11.123 0.232 87 HG22 VAL 9 HG22 VAL 9 41.031 11.460 -1.222 88 HG23 VAL 9 HG23 VAL 9 40.291 11.595 0.391 89 H LYS 10 HN LYS 10 41.211 15.548 -0.229 90 HA LYS 10 HA LYS 10 42.093 17.737 1.430 91 HB2 LYS 10 HB2 LYS 10 44.329 16.808 0.839 92 HB3 LYS 10 HB1 LYS 10 43.931 17.000 -0.885 93 HG2 LYS 10 HG2 LYS 10 43.756 19.402 -0.654 94 HG3 LYS 10 HG1 LYS 10 43.878 19.294 1.119 95 HD2 LYS 10 HD2 LYS 10 46.169 18.426 0.943 96 HD3 LYS 10 HD1 LYS 10 46.056 18.430 -0.833 97 HE2 LYS 10 HE2 LYS 10 45.735 20.884 -0.815 98 HE3 LYS 10 HE1 LYS 10 45.833 20.887 0.963 99 HZ1 LYS 10 HZ1 LYS 10 48.071 20.033 0.825 100 HZ2 LYS 10 HZ2 LYS 10 47.954 21.451 -0.104 101 HZ3 LYS 10 HZ3 LYS 10 47.982 19.931 -0.866 102 H ILE 11 HN ILE 11 41.188 16.352 -1.656 103 HA ILE 11 HA ILE 11 39.887 18.968 -2.397 104 HB ILE 11 HB ILE 11 41.160 17.083 -4.426 105 HG12 ILE 11 HG12 ILE 11 42.303 19.620 -3.166 106 HG13 ILE 11 HG11 ILE 11 42.938 17.971 -2.966 107 HG21 ILE 11 HG21 ILE 11 39.278 18.731 -5.046 108 HG22 ILE 11 HG22 ILE 11 40.786 18.870 -5.977 109 HG23 ILE 11 HG23 ILE 11 40.434 20.030 -4.674 110 HD11 ILE 11 HD1 ILE 11 42.932 19.706 -5.458 111 HD12 ILE 11 HD2 ILE 11 43.127 17.938 -5.564 112 HD13 ILE 11 HD3 ILE 11 44.309 18.914 -4.659 113 H ILE 12 HN ILE 12 40.123 15.464 -3.141 114 HA ILE 12 HA ILE 12 37.383 15.388 -4.167 115 HB ILE 12 HB ILE 12 39.229 13.146 -3.282 116 HG12 ILE 12 HG12 ILE 12 40.412 14.418 -4.944 117 HG13 ILE 12 HG11 ILE 12 39.789 12.972 -5.762 118 HG21 ILE 12 HG21 ILE 12 37.780 11.948 -5.182 119 HG22 ILE 12 HG22 ILE 12 36.608 13.234 -4.810 120 HG23 ILE 12 HG23 ILE 12 37.137 12.117 -3.537 121 HD11 ILE 12 HD1 ILE 12 39.270 14.718 -7.270 122 HD12 ILE 12 HD2 ILE 12 38.825 15.843 -5.968 123 HD13 ILE 12 HD3 ILE 12 37.743 14.496 -6.389 124 H GLY 13 HN GLY 13 38.368 12.881 -1.888 125 HA2 GLY 13 HA1 GLY 13 35.958 12.965 -0.394 126 HA3 GLY 13 HA2 GLY 13 37.500 12.290 0.178 127 H GLY 14 HN GLY 14 38.438 15.096 -0.731 128 HA2 GLY 14 HA1 GLY 14 38.423 16.300 1.949 129 HA3 GLY 14 HA2 GLY 14 39.247 16.914 0.499 130 H ALA 15 HN ALA 15 37.206 17.132 -1.365 131 HA ALA 15 HA ALA 15 35.681 19.414 -0.167 132 HB1 ALA 15 HB1 ALA 15 36.725 19.604 -2.441 133 HB2 ALA 15 HB2 ALA 15 34.969 19.882 -2.435 134 HB3 ALA 15 HB3 ALA 15 35.617 18.329 -3.009 135 H ALA 16 HN ALA 16 35.302 16.643 0.671 136 HA ALA 16 HA ALA 16 33.481 15.417 1.387 137 HB1 ALA 16 HB1 ALA 16 32.265 17.740 1.122 138 HB2 ALA 16 HB2 ALA 16 31.300 16.251 1.265 139 HB3 ALA 16 HB3 ALA 16 31.555 16.996 -0.330 140 H LEU 17 HN LEU 17 35.154 14.719 -0.832 141 HA LEU 17 HA LEU 17 35.147 13.182 -2.591 142 HB2 LEU 17 HB2 LEU 17 33.757 11.961 -0.756 143 HB3 LEU 17 HB1 LEU 17 32.342 12.378 -1.745 144 HG LEU 17 HG LEU 17 33.848 11.334 -3.727 145 HD11 LEU 17 HD11 LEU 17 34.778 9.640 -1.374 146 HD12 LEU 17 HD12 LEU 17 35.757 10.985 -1.996 147 HD13 LEU 17 HD13 LEU 17 35.352 9.618 -3.058 148 HD21 LEU 17 HD21 LEU 17 32.808 9.085 -3.210 149 HD22 LEU 17 HD22 LEU 17 31.664 10.446 -3.132 150 HD23 LEU 17 HD23 LEU 17 32.307 9.737 -1.631 151 H ASP 18 HN ASP 18 34.511 15.734 -3.344 152 HA ASP 18 HA ASP 18 33.580 16.913 -5.102 153 HB2 ASP 18 HB2 ASP 18 32.672 14.239 -6.224 154 HB3 ASP 18 HB1 ASP 18 33.013 15.741 -7.112 155 H HIS 19 HN HIS 19 31.253 14.180 -5.093 156 HA HIS 19 HA HIS 19 29.207 15.841 -3.762 157 HB2 HIS 19 HB2 HIS 19 28.879 14.974 -6.665 158 HB3 HIS 19 HB1 HIS 19 27.616 15.709 -5.650 159 HD1 HIS 19 HD1 HIS 19 30.773 16.488 -7.555 160 HD2 HIS 19 HD2 HIS 19 27.957 18.498 -5.166 161 HE1 HIS 19 HE1 HIS 19 31.228 18.991 -7.784 162 H LEU 20 HN LEU 20 30.208 13.633 -2.696 163 HA LEU 20 HA LEU 20 29.702 11.479 -1.985 164 HB2 LEU 20 HB2 LEU 20 26.976 12.622 -2.680 165 HB3 LEU 20 HB1 LEU 20 27.144 10.978 -2.019 166 HG LEU 20 HG LEU 20 28.240 11.834 -0.017 167 HD11 LEU 20 HD11 LEU 20 28.348 14.409 0.247 168 HD12 LEU 20 HD12 LEU 20 28.160 14.479 -1.522 169 HD13 LEU 20 HD13 LEU 20 29.567 13.654 -0.806 170 HD21 LEU 20 HD21 LEU 20 26.385 13.099 0.944 171 HD22 LEU 20 HD22 LEU 20 25.725 11.884 -0.178 172 HD23 LEU 20 HD23 LEU 20 25.832 13.589 -0.674 Start of MODEL 97 1 H1 TRP 1 HT1 TRP 1 39.451 13.373 18.615 2 H2 TRP 1 HT2 TRP 1 37.941 14.020 18.180 3 H3 TRP 1 HT3 TRP 1 39.371 14.703 17.566 4 HA TRP 1 HA TRP 1 39.434 12.022 16.926 5 HB2 TRP 1 HB2 TRP 1 36.791 13.379 16.261 6 HB3 TRP 1 HB1 TRP 1 37.358 11.839 15.576 7 HD1 TRP 1 HD1 TRP 1 35.353 13.153 18.338 8 HE1 TRP 1 HE1 TRP 1 34.961 11.373 20.193 9 HE3 TRP 1 HE3 TRP 1 38.859 9.710 16.904 10 HZ2 TRP 1 HZ2 TRP 1 36.043 8.808 20.926 11 HZ3 TRP 1 HZ3 TRP 1 39.161 7.602 18.196 12 HH2 TRP 1 HH2 TRP 1 37.758 7.148 20.203 13 H LEU 2 HN LEU 2 40.277 11.834 14.893 14 HA LEU 2 HA LEU 2 41.495 14.063 13.694 15 HB2 LEU 2 HB2 LEU 2 42.175 11.769 13.203 16 HB3 LEU 2 HB1 LEU 2 40.604 11.426 12.450 17 HG LEU 2 HG LEU 2 41.071 13.024 10.647 18 HD11 LEU 2 HD11 LEU 2 43.522 13.956 10.592 19 HD12 LEU 2 HD12 LEU 2 43.514 13.655 12.347 20 HD13 LEU 2 HD13 LEU 2 42.335 14.778 11.628 21 HD21 LEU 2 HD21 LEU 2 43.508 11.260 11.138 22 HD22 LEU 2 HD22 LEU 2 42.892 11.820 9.565 23 HD23 LEU 2 HD23 LEU 2 41.945 10.664 10.533 24 H ARG 3 HN ARG 3 38.210 13.089 13.664 25 HA ARG 3 HA ARG 3 36.352 14.155 12.795 26 HB2 ARG 3 HB2 ARG 3 37.913 16.260 12.954 27 HB3 ARG 3 HB1 ARG 3 38.065 16.082 11.192 28 HG2 ARG 3 HG2 ARG 3 35.583 16.137 10.983 29 HG3 ARG 3 HG1 ARG 3 35.454 16.373 12.743 30 HD2 ARG 3 HD2 ARG 3 36.960 18.228 10.847 31 HD3 ARG 3 HD1 ARG 3 35.321 18.528 11.472 32 HE ARG 3 HE ARG 3 37.821 18.838 12.967 33 HH11 ARG 3 HH11 ARG 3 36.009 20.839 13.642 34 HH12 ARG 3 HH12 ARG 3 35.135 20.261 15.021 35 HH21 ARG 3 HH21 ARG 3 36.017 16.944 14.523 36 HH22 ARG 3 HH22 ARG 3 35.140 18.056 15.521 37 H ARG 4 HN ARG 4 39.073 13.791 10.499 38 HA ARG 4 HA ARG 4 37.270 13.285 8.243 39 HB2 ARG 4 HB2 ARG 4 40.224 12.590 8.393 40 HB3 ARG 4 HB1 ARG 4 39.250 12.983 6.956 41 HG2 ARG 4 HG2 ARG 4 39.948 14.904 9.226 42 HG3 ARG 4 HG1 ARG 4 40.673 14.898 7.602 43 HD2 ARG 4 HD2 ARG 4 39.006 16.575 7.462 44 HD3 ARG 4 HD1 ARG 4 38.222 15.153 6.734 45 HE ARG 4 HE ARG 4 37.709 15.302 9.587 46 HH11 ARG 4 HH11 ARG 4 35.425 14.406 8.439 47 HH12 ARG 4 HH12 ARG 4 34.450 15.784 8.047 48 HH21 ARG 4 HH21 ARG 4 37.083 18.033 8.245 49 HH22 ARG 4 HH22 ARG 4 35.391 17.838 7.937 50 H ILE 5 HN ILE 5 38.619 11.474 10.844 51 HA ILE 5 HA ILE 5 38.905 9.167 11.170 52 HB ILE 5 HB ILE 5 36.713 7.948 11.001 53 HG12 ILE 5 HG12 ILE 5 35.660 10.602 9.908 54 HG13 ILE 5 HG11 ILE 5 35.968 9.174 8.895 55 HG21 ILE 5 HG21 ILE 5 35.632 9.248 12.718 56 HG22 ILE 5 HG22 ILE 5 36.385 10.754 12.143 57 HG23 ILE 5 HG23 ILE 5 37.380 9.500 12.918 58 HD11 ILE 5 HD1 ILE 5 34.418 7.898 10.541 59 HD12 ILE 5 HD2 ILE 5 33.655 9.050 9.424 60 HD13 ILE 5 HD3 ILE 5 33.925 9.508 11.120 61 H GLY 6 HN GLY 6 39.958 9.893 8.625 62 HA2 GLY 6 HA1 GLY 6 40.375 7.383 7.467 63 HA3 GLY 6 HA2 GLY 6 38.992 8.075 6.596 64 H LYS 7 HN LYS 7 41.348 10.242 7.947 65 HA LYS 7 HA LYS 7 42.738 11.767 6.885 66 HB2 LYS 7 HB2 LYS 7 44.012 9.556 6.697 67 HB3 LYS 7 HB1 LYS 7 43.434 9.472 5.015 68 HG2 LYS 7 HG2 LYS 7 44.403 11.823 4.698 69 HG3 LYS 7 HG1 LYS 7 45.195 11.611 6.279 70 HD2 LYS 7 HD2 LYS 7 45.539 9.797 3.849 71 HD3 LYS 7 HD1 LYS 7 46.727 10.979 4.444 72 HE2 LYS 7 HE2 LYS 7 46.563 9.680 6.709 73 HE3 LYS 7 HE1 LYS 7 45.823 8.386 5.734 74 HZ1 LYS 7 HZ1 LYS 7 47.769 8.410 4.300 75 HZ2 LYS 7 HZ2 LYS 7 48.219 8.115 5.912 76 HZ3 LYS 7 HZ3 LYS 7 48.472 9.647 5.223 77 H GLY 8 HN GLY 8 41.437 13.278 5.967 78 HA2 GLY 8 HA1 GLY 8 39.843 12.830 3.634 79 HA3 GLY 8 HA2 GLY 8 40.311 14.409 4.295 80 H VAL 9 HN VAL 9 40.122 13.238 1.497 81 HA VAL 9 HA VAL 9 42.870 13.158 0.521 82 HB VAL 9 HB VAL 9 40.278 13.600 -1.033 83 HG11 VAL 9 HG11 VAL 9 41.726 12.494 -2.862 84 HG12 VAL 9 HG12 VAL 9 43.121 12.832 -1.811 85 HG13 VAL 9 HG13 VAL 9 42.129 14.172 -2.437 86 HG21 VAL 9 HG21 VAL 9 40.190 11.527 0.294 87 HG22 VAL 9 HG22 VAL 9 41.794 11.048 -0.313 88 HG23 VAL 9 HG23 VAL 9 40.409 11.134 -1.428 89 H LYS 10 HN LYS 10 40.748 15.615 1.504 90 HA LYS 10 HA LYS 10 40.992 17.910 1.523 91 HB2 LYS 10 HB2 LYS 10 43.511 17.262 1.613 92 HB3 LYS 10 HB1 LYS 10 43.542 17.698 -0.111 93 HG2 LYS 10 HG2 LYS 10 42.460 19.929 0.583 94 HG3 LYS 10 HG1 LYS 10 42.852 19.477 2.259 95 HD2 LYS 10 HD2 LYS 10 45.235 19.284 1.677 96 HD3 LYS 10 HD1 LYS 10 44.867 19.659 -0.024 97 HE2 LYS 10 HE2 LYS 10 45.677 21.674 1.166 98 HE3 LYS 10 HE1 LYS 10 43.984 21.875 0.654 99 HZ1 LYS 10 HZ1 LYS 10 44.512 22.538 3.008 100 HZ2 LYS 10 HZ2 LYS 10 44.747 20.890 3.353 101 HZ3 LYS 10 HZ3 LYS 10 43.228 21.444 2.832 102 H ILE 11 HN ILE 11 41.160 16.085 -1.426 103 HA ILE 11 HA ILE 11 40.065 18.457 -2.949 104 HB ILE 11 HB ILE 11 41.568 16.106 -4.157 105 HG12 ILE 11 HG12 ILE 11 42.637 18.844 -3.322 106 HG13 ILE 11 HG11 ILE 11 43.074 17.285 -2.587 107 HG21 ILE 11 HG21 ILE 11 39.992 17.610 -5.542 108 HG22 ILE 11 HG22 ILE 11 41.665 17.472 -6.127 109 HG23 ILE 11 HG23 ILE 11 41.149 18.925 -5.236 110 HD11 ILE 11 HD1 ILE 11 43.732 18.317 -5.365 111 HD12 ILE 11 HD2 ILE 11 43.792 16.577 -4.989 112 HD13 ILE 11 HD3 ILE 11 44.841 17.716 -4.112 113 H ILE 12 HN ILE 12 40.107 14.881 -2.669 114 HA ILE 12 HA ILE 12 37.568 14.729 -4.213 115 HB ILE 12 HB ILE 12 39.289 12.546 -2.971 116 HG12 ILE 12 HG12 ILE 12 39.237 13.682 -5.806 117 HG13 ILE 12 HG11 ILE 12 40.549 13.872 -4.621 118 HG21 ILE 12 HG21 ILE 12 38.089 11.024 -4.485 119 HG22 ILE 12 HG22 ILE 12 37.193 12.388 -5.194 120 HG23 ILE 12 HG23 ILE 12 36.907 11.908 -3.508 121 HD11 ILE 12 HD1 ILE 12 39.703 11.393 -6.149 122 HD12 ILE 12 HD2 ILE 12 40.544 11.225 -4.587 123 HD13 ILE 12 HD3 ILE 12 41.329 12.079 -5.935 124 H GLY 13 HN GLY 13 38.223 12.401 -1.661 125 HA2 GLY 13 HA1 GLY 13 35.662 12.723 -0.450 126 HA3 GLY 13 HA2 GLY 13 37.083 11.971 0.315 127 H GLY 14 HN GLY 14 38.265 14.694 -0.677 128 HA2 GLY 14 HA1 GLY 14 38.056 16.059 1.927 129 HA3 GLY 14 HA2 GLY 14 39.094 16.504 0.556 130 H ALA 15 HN ALA 15 37.328 16.700 -1.569 131 HA ALA 15 HA ALA 15 35.892 19.194 -0.767 132 HB1 ALA 15 HB1 ALA 15 35.941 17.783 -3.459 133 HB2 ALA 15 HB2 ALA 15 37.138 18.997 -2.941 134 HB3 ALA 15 HB3 ALA 15 35.429 19.451 -3.125 135 H ALA 16 HN ALA 16 35.182 16.569 0.336 136 HA ALA 16 HA ALA 16 33.217 15.559 0.988 137 HB1 ALA 16 HB1 ALA 16 32.254 17.952 0.451 138 HB2 ALA 16 HB2 ALA 16 31.141 16.575 0.625 139 HB3 ALA 16 HB3 ALA 16 31.585 17.161 -0.995 140 H LEU 17 HN LEU 17 34.979 14.551 -1.024 141 HA LEU 17 HA LEU 17 34.974 12.914 -2.680 142 HB2 LEU 17 HB2 LEU 17 33.407 11.894 -0.884 143 HB3 LEU 17 HB1 LEU 17 32.077 12.367 -1.964 144 HG LEU 17 HG LEU 17 33.566 11.102 -3.816 145 HD11 LEU 17 HD11 LEU 17 35.425 10.694 -2.111 146 HD12 LEU 17 HD12 LEU 17 34.836 9.240 -2.947 147 HD13 LEU 17 HD13 LEU 17 34.315 9.581 -1.280 148 HD21 LEU 17 HD21 LEU 17 32.321 9.006 -3.301 149 HD22 LEU 17 HD22 LEU 17 31.280 10.443 -3.160 150 HD23 LEU 17 HD23 LEU 17 31.912 9.654 -1.694 151 H ASP 18 HN ASP 18 34.593 15.428 -3.653 152 HA ASP 18 HA ASP 18 33.760 16.595 -5.478 153 HB2 ASP 18 HB2 ASP 18 34.782 14.565 -6.583 154 HB3 ASP 18 HB1 ASP 18 33.157 13.836 -6.605 155 H HIS 19 HN HIS 19 31.905 15.882 -3.284 156 HA HIS 19 HA HIS 19 29.628 15.954 -2.835 157 HB2 HIS 19 HB2 HIS 19 29.435 17.345 -5.532 158 HB3 HIS 19 HB1 HIS 19 28.334 17.514 -4.143 159 HD1 HIS 19 HD1 HIS 19 29.681 18.332 -1.812 160 HD2 HIS 19 HD2 HIS 19 31.415 19.268 -5.528 161 HE1 HIS 19 HE1 HIS 19 31.323 20.252 -1.425 162 H LEU 20 HN LEU 20 30.199 13.496 -3.580 163 HA LEU 20 HA LEU 20 29.358 11.580 -4.572 164 HB2 LEU 20 HB2 LEU 20 27.327 12.500 -3.337 165 HB3 LEU 20 HB1 LEU 20 26.800 13.188 -4.885 166 HG LEU 20 HG LEU 20 27.049 10.777 -5.842 167 HD11 LEU 20 HD11 LEU 20 27.186 10.247 -2.843 168 HD12 LEU 20 HD12 LEU 20 28.237 9.608 -4.127 169 HD13 LEU 20 HD13 LEU 20 26.565 9.033 -3.983 170 HD21 LEU 20 HD21 LEU 20 24.778 10.172 -5.052 171 HD22 LEU 20 HD22 LEU 20 24.878 11.907 -5.442 172 HD23 LEU 20 HD23 LEU 20 24.912 11.371 -3.744 Start of MODEL 98 1 H1 TRP 1 HT1 TRP 1 50.261 16.307 12.366 2 H2 TRP 1 HT2 TRP 1 50.553 14.795 11.650 3 H3 TRP 1 HT3 TRP 1 51.215 15.161 13.171 4 HA TRP 1 HA TRP 1 49.493 14.264 14.124 5 HB2 TRP 1 HB2 TRP 1 47.936 16.393 12.603 6 HB3 TRP 1 HB1 TRP 1 47.340 15.476 14.007 7 HD1 TRP 1 HD1 TRP 1 48.256 16.111 16.374 8 HE1 TRP 1 HE1 TRP 1 49.648 18.101 17.303 9 HE3 TRP 1 HE3 TRP 1 49.888 18.089 11.944 10 HZ2 TRP 1 HZ2 TRP 1 51.245 20.247 16.235 11 HZ3 TRP 1 HZ3 TRP 1 51.344 20.108 11.922 12 HH2 TRP 1 HH2 TRP 1 52.024 21.188 14.062 13 H LEU 2 HN LEU 2 49.735 12.274 13.007 14 HA LEU 2 HA LEU 2 48.846 10.473 11.867 15 HB2 LEU 2 HB2 LEU 2 46.650 11.573 12.813 16 HB3 LEU 2 HB1 LEU 2 46.388 12.088 11.133 17 HG LEU 2 HG LEU 2 46.903 9.518 10.582 18 HD11 LEU 2 HD11 LEU 2 46.012 8.025 12.375 19 HD12 LEU 2 HD12 LEU 2 45.925 9.421 13.474 20 HD13 LEU 2 HD13 LEU 2 47.503 8.853 12.880 21 HD21 LEU 2 HD21 LEU 2 44.298 10.552 11.787 22 HD22 LEU 2 HD22 LEU 2 44.446 9.020 10.891 23 HD23 LEU 2 HD23 LEU 2 44.767 10.568 10.071 24 H ARG 3 HN ARG 3 49.511 13.452 10.488 25 HA ARG 3 HA ARG 3 50.293 13.984 8.376 26 HB2 ARG 3 HB2 ARG 3 51.002 11.422 8.486 27 HB3 ARG 3 HB1 ARG 3 49.701 11.215 7.295 28 HG2 ARG 3 HG2 ARG 3 52.122 13.059 7.053 29 HG3 ARG 3 HG1 ARG 3 51.810 11.581 6.115 30 HD2 ARG 3 HD2 ARG 3 49.623 12.734 5.347 31 HD3 ARG 3 HD1 ARG 3 50.332 14.232 5.999 32 HE ARG 3 HE ARG 3 52.218 12.933 4.254 33 HH11 ARG 3 HH11 ARG 3 49.305 13.059 3.019 34 HH12 ARG 3 HH12 ARG 3 49.495 14.458 2.015 35 HH21 ARG 3 HH21 ARG 3 52.458 15.457 3.512 36 HH22 ARG 3 HH22 ARG 3 51.280 15.816 2.295 37 H ARG 4 HN ARG 4 47.776 11.494 7.719 38 HA ARG 4 HA ARG 4 46.538 13.119 5.675 39 HB2 ARG 4 HB2 ARG 4 45.400 10.749 7.209 40 HB3 ARG 4 HB1 ARG 4 44.808 11.392 5.656 41 HG2 ARG 4 HG2 ARG 4 46.952 10.860 4.582 42 HG3 ARG 4 HG1 ARG 4 47.613 10.293 6.134 43 HD2 ARG 4 HD2 ARG 4 45.868 8.532 6.231 44 HD3 ARG 4 HD1 ARG 4 45.223 9.091 4.669 45 HE ARG 4 HE ARG 4 47.989 8.544 4.307 46 HH11 ARG 4 HH11 ARG 4 45.987 7.339 2.531 47 HH12 ARG 4 HH12 ARG 4 46.041 5.660 2.954 48 HH21 ARG 4 HH21 ARG 4 47.661 6.199 5.973 49 HH22 ARG 4 HH22 ARG 4 46.987 5.015 4.902 50 H ILE 5 HN ILE 5 46.758 13.824 8.800 51 HA ILE 5 HA ILE 5 45.361 14.780 10.416 52 HB ILE 5 HB ILE 5 44.275 16.878 9.583 53 HG12 ILE 5 HG12 ILE 5 45.297 15.995 6.839 54 HG13 ILE 5 HG11 ILE 5 43.593 15.883 7.333 55 HG21 ILE 5 HG21 ILE 5 47.037 16.449 8.365 56 HG22 ILE 5 HG22 ILE 5 46.755 16.649 10.111 57 HG23 ILE 5 HG23 ILE 5 46.349 17.967 8.989 58 HD11 ILE 5 HD1 ILE 5 45.289 18.369 6.927 59 HD12 ILE 5 HD2 ILE 5 43.795 18.420 7.892 60 HD13 ILE 5 HD3 ILE 5 43.732 17.950 6.178 61 H GLY 6 HN GLY 6 44.165 12.429 9.733 62 HA2 GLY 6 HA1 GLY 6 42.088 11.474 10.224 63 HA3 GLY 6 HA2 GLY 6 41.355 13.090 10.264 64 H LYS 7 HN LYS 7 42.854 10.792 7.946 65 HA LYS 7 HA LYS 7 42.270 10.292 5.757 66 HB2 LYS 7 HB2 LYS 7 39.443 11.000 6.617 67 HB3 LYS 7 HB1 LYS 7 39.942 9.858 5.344 68 HG2 LYS 7 HG2 LYS 7 41.157 8.546 7.186 69 HG3 LYS 7 HG1 LYS 7 40.291 9.571 8.355 70 HD2 LYS 7 HD2 LYS 7 38.964 7.858 6.204 71 HD3 LYS 7 HD1 LYS 7 39.103 7.415 7.922 72 HE2 LYS 7 HE2 LYS 7 36.943 8.360 7.798 73 HE3 LYS 7 HE1 LYS 7 37.927 9.732 8.360 74 HZ1 LYS 7 HZ1 LYS 7 37.492 10.839 6.498 75 HZ2 LYS 7 HZ2 LYS 7 36.335 9.652 6.122 76 HZ3 LYS 7 HZ3 LYS 7 37.915 9.527 5.510 77 H GLY 8 HN GLY 8 39.860 11.435 4.393 78 HA2 GLY 8 HA1 GLY 8 39.318 13.274 3.094 79 HA3 GLY 8 HA2 GLY 8 40.188 14.295 4.255 80 H VAL 9 HN VAL 9 40.109 13.124 1.110 81 HA VAL 9 HA VAL 9 42.958 12.977 0.591 82 HB VAL 9 HB VAL 9 40.857 13.682 -1.502 83 HG11 VAL 9 HG11 VAL 9 42.306 12.178 -2.893 84 HG12 VAL 9 HG12 VAL 9 43.404 11.993 -1.506 85 HG13 VAL 9 HG13 VAL 9 43.190 13.587 -2.266 86 HG21 VAL 9 HG21 VAL 9 41.378 10.995 -0.161 87 HG22 VAL 9 HG22 VAL 9 40.513 11.177 -1.705 88 HG23 VAL 9 HG23 VAL 9 39.844 11.893 -0.220 89 H LYS 10 HN LYS 10 41.078 15.491 1.566 90 HA LYS 10 HA LYS 10 41.500 17.759 1.709 91 HB2 LYS 10 HB2 LYS 10 43.966 16.913 1.660 92 HB3 LYS 10 HB1 LYS 10 43.971 17.461 -0.031 93 HG2 LYS 10 HG2 LYS 10 43.068 19.713 0.873 94 HG3 LYS 10 HG1 LYS 10 43.536 19.116 2.483 95 HD2 LYS 10 HD2 LYS 10 45.859 18.726 1.614 96 HD3 LYS 10 HD1 LYS 10 45.364 19.457 0.067 97 HE2 LYS 10 HE2 LYS 10 45.226 20.844 2.782 98 HE3 LYS 10 HE1 LYS 10 46.497 21.104 1.564 99 HZ1 LYS 10 HZ1 LYS 10 43.934 21.340 0.378 100 HZ2 LYS 10 HZ2 LYS 10 45.178 22.493 0.479 101 HZ3 LYS 10 HZ3 LYS 10 44.031 22.365 1.727 102 H ILE 11 HN ILE 11 41.408 16.086 -1.317 103 HA ILE 11 HA ILE 11 40.566 18.621 -2.730 104 HB ILE 11 HB ILE 11 41.546 16.059 -4.038 105 HG12 ILE 11 HG12 ILE 11 43.141 18.538 -3.237 106 HG13 ILE 11 HG11 ILE 11 43.342 16.900 -2.575 107 HG21 ILE 11 HG21 ILE 11 41.768 17.416 -6.004 108 HG22 ILE 11 HG22 ILE 11 41.585 18.925 -5.077 109 HG23 ILE 11 HG23 ILE 11 40.189 17.848 -5.313 110 HD11 ILE 11 HD1 ILE 11 45.052 17.070 -4.211 111 HD12 ILE 11 HD2 ILE 11 43.988 17.903 -5.367 112 HD13 ILE 11 HD3 ILE 11 43.762 16.167 -5.039 113 H ILE 12 HN ILE 12 40.029 15.076 -2.537 114 HA ILE 12 HA ILE 12 37.374 15.424 -3.854 115 HB ILE 12 HB ILE 12 38.847 12.924 -2.949 116 HG12 ILE 12 HG12 ILE 12 38.560 13.988 -5.800 117 HG13 ILE 12 HG11 ILE 12 39.962 14.374 -4.781 118 HG21 ILE 12 HG21 ILE 12 37.216 11.918 -4.762 119 HG22 ILE 12 HG22 ILE 12 36.294 13.419 -4.536 120 HG23 ILE 12 HG23 ILE 12 36.554 12.316 -3.167 121 HD11 ILE 12 HD1 ILE 12 39.163 11.722 -6.004 122 HD12 ILE 12 HD2 ILE 12 40.084 11.717 -4.481 123 HD13 ILE 12 HD3 ILE 12 40.759 12.496 -5.927 124 H GLY 13 HN GLY 13 37.836 12.782 -1.601 125 HA2 GLY 13 HA1 GLY 13 35.481 13.312 -0.129 126 HA3 GLY 13 HA2 GLY 13 36.855 12.345 0.455 127 H GLY 14 HN GLY 14 38.337 14.933 -0.372 128 HA2 GLY 14 HA1 GLY 14 38.423 16.095 2.339 129 HA3 GLY 14 HA2 GLY 14 39.453 16.513 0.952 130 H ALA 15 HN ALA 15 37.683 17.148 -1.051 131 HA ALA 15 HA ALA 15 36.596 19.710 0.034 132 HB1 ALA 15 HB1 ALA 15 37.821 19.504 -2.190 133 HB2 ALA 15 HB2 ALA 15 36.249 20.335 -2.240 134 HB3 ALA 15 HB3 ALA 15 36.382 18.652 -2.802 135 H ALA 16 HN ALA 16 35.545 17.095 0.853 136 HA ALA 16 HA ALA 16 33.444 16.359 1.476 137 HB1 ALA 16 HB1 ALA 16 31.525 17.655 1.169 138 HB2 ALA 16 HB2 ALA 16 32.043 18.248 -0.425 139 HB3 ALA 16 HB3 ALA 16 32.807 18.880 1.052 140 H LEU 17 HN LEU 17 35.048 15.187 -0.589 141 HA LEU 17 HA LEU 17 34.818 13.702 -2.374 142 HB2 LEU 17 HB2 LEU 17 33.063 12.963 -0.408 143 HB3 LEU 17 HB1 LEU 17 31.929 13.149 -1.760 144 HG LEU 17 HG LEU 17 34.465 11.439 -1.812 145 HD11 LEU 17 HD11 LEU 17 32.624 10.607 -0.301 146 HD12 LEU 17 HD12 LEU 17 32.964 9.528 -1.676 147 HD13 LEU 17 HD13 LEU 17 31.538 10.593 -1.711 148 HD21 LEU 17 HD21 LEU 17 33.867 12.278 -4.037 149 HD22 LEU 17 HD22 LEU 17 32.169 11.802 -3.791 150 HD23 LEU 17 HD23 LEU 17 33.433 10.558 -3.924 151 H ASP 18 HN ASP 18 34.172 16.516 -2.856 152 HA ASP 18 HA ASP 18 33.290 17.833 -4.545 153 HB2 ASP 18 HB2 ASP 18 34.510 16.181 -5.949 154 HB3 ASP 18 HB1 ASP 18 33.037 15.187 -6.032 155 H HIS 19 HN HIS 19 31.384 14.913 -5.337 156 HA HIS 19 HA HIS 19 28.948 16.226 -5.732 157 HB2 HIS 19 HB2 HIS 19 29.181 13.475 -4.462 158 HB3 HIS 19 HB1 HIS 19 27.895 14.086 -5.530 159 HD1 HIS 19 HD1 HIS 19 29.602 15.410 -7.745 160 HD2 HIS 19 HD2 HIS 19 30.323 11.580 -6.168 161 HE1 HIS 19 HE1 HIS 19 30.967 14.118 -9.476 162 H LEU 20 HN LEU 20 29.682 14.314 -2.775 163 HA LEU 20 HA LEU 20 27.540 15.547 -1.291 164 HB2 LEU 20 HB2 LEU 20 28.300 13.351 -0.656 165 HB3 LEU 20 HB1 LEU 20 29.973 13.917 -0.464 166 HG LEU 20 HG LEU 20 29.391 15.221 1.495 167 HD11 LEU 20 HD11 LEU 20 26.940 15.085 2.336 168 HD12 LEU 20 HD12 LEU 20 26.530 14.571 0.682 169 HD13 LEU 20 HD13 LEU 20 27.265 16.168 0.965 170 HD21 LEU 20 HD21 LEU 20 27.947 12.536 1.628 171 HD22 LEU 20 HD22 LEU 20 28.606 13.450 3.005 172 HD23 LEU 20 HD23 LEU 20 29.705 12.757 1.788 Start of MODEL 99 1 H1 TRP 1 HT1 TRP 1 43.747 -0.057 10.661 2 H2 TRP 1 HT2 TRP 1 45.013 0.379 11.707 3 H3 TRP 1 HT3 TRP 1 45.355 -0.184 10.140 4 HA TRP 1 HA TRP 1 43.665 1.910 9.753 5 HB2 TRP 1 HB2 TRP 1 45.807 2.605 11.801 6 HB3 TRP 1 HB1 TRP 1 44.706 3.746 10.994 7 HD1 TRP 1 HD1 TRP 1 44.996 1.669 14.019 8 HE1 TRP 1 HE1 TRP 1 42.733 1.500 15.288 9 HE3 TRP 1 HE3 TRP 1 41.896 3.522 10.391 10 HZ2 TRP 1 HZ2 TRP 1 39.965 2.098 14.768 11 HZ3 TRP 1 HZ3 TRP 1 39.448 3.714 10.799 12 HH2 TRP 1 HH2 TRP 1 38.480 3.004 12.981 13 H LEU 2 HN LEU 2 44.395 2.946 7.981 14 HA LEU 2 HA LEU 2 46.776 1.989 6.693 15 HB2 LEU 2 HB2 LEU 2 44.857 4.276 6.183 16 HB3 LEU 2 HB1 LEU 2 46.312 4.072 5.180 17 HG LEU 2 HG LEU 2 45.609 1.764 4.618 18 HD11 LEU 2 HD11 LEU 2 44.370 1.053 6.530 19 HD12 LEU 2 HD12 LEU 2 43.164 1.178 5.229 20 HD13 LEU 2 HD13 LEU 2 43.286 2.462 6.456 21 HD21 LEU 2 HD21 LEU 2 43.634 2.381 3.232 22 HD22 LEU 2 HD22 LEU 2 44.895 3.635 3.172 23 HD23 LEU 2 HD23 LEU 2 43.448 3.875 4.179 24 H ARG 3 HN ARG 3 46.168 5.425 7.228 25 HA ARG 3 HA ARG 3 48.424 5.852 8.984 26 HB2 ARG 3 HB2 ARG 3 49.575 5.324 6.760 27 HB3 ARG 3 HB1 ARG 3 48.803 6.787 6.110 28 HG2 ARG 3 HG2 ARG 3 50.856 7.671 6.812 29 HG3 ARG 3 HG1 ARG 3 49.877 7.948 8.269 30 HD2 ARG 3 HD2 ARG 3 50.751 5.837 9.252 31 HD3 ARG 3 HD1 ARG 3 51.718 5.557 7.786 32 HE ARG 3 HE ARG 3 52.530 7.199 9.951 33 HH11 ARG 3 HH11 ARG 3 53.264 9.429 9.468 34 HH12 ARG 3 HH12 ARG 3 54.074 9.634 7.951 35 HH21 ARG 3 HH21 ARG 3 53.107 6.544 6.713 36 HH22 ARG 3 HH22 ARG 3 53.984 8.002 6.392 37 H ARG 4 HN ARG 4 46.071 6.896 6.638 38 HA ARG 4 HA ARG 4 45.470 9.306 8.293 39 HB2 ARG 4 HB2 ARG 4 46.004 9.313 5.293 40 HB3 ARG 4 HB1 ARG 4 45.193 10.636 6.159 41 HG2 ARG 4 HG2 ARG 4 47.994 9.598 6.804 42 HG3 ARG 4 HG1 ARG 4 47.652 11.031 5.814 43 HD2 ARG 4 HD2 ARG 4 46.211 11.763 7.955 44 HD3 ARG 4 HD1 ARG 4 47.321 10.650 8.791 45 HE ARG 4 HE ARG 4 48.995 12.239 7.243 46 HH11 ARG 4 HH11 ARG 4 49.817 14.230 7.934 47 HH12 ARG 4 HH12 ARG 4 49.055 15.056 9.252 48 HH21 ARG 4 HH21 ARG 4 46.575 12.667 9.661 49 HH22 ARG 4 HH22 ARG 4 47.219 14.171 10.229 50 H ILE 5 HN ILE 5 44.552 6.465 6.893 51 HA ILE 5 HA ILE 5 42.480 5.552 6.397 52 HB ILE 5 HB ILE 5 41.220 8.018 7.674 53 HG12 ILE 5 HG12 ILE 5 42.371 5.529 9.021 54 HG13 ILE 5 HG11 ILE 5 43.024 7.179 9.147 55 HG21 ILE 5 HG21 ILE 5 39.391 6.550 8.163 56 HG22 ILE 5 HG22 ILE 5 40.347 5.100 7.766 57 HG23 ILE 5 HG23 ILE 5 39.829 6.208 6.474 58 HD11 ILE 5 HD1 ILE 5 41.717 6.927 11.112 59 HD12 ILE 5 HD2 ILE 5 40.410 6.089 10.242 60 HD13 ILE 5 HD3 ILE 5 40.657 7.839 10.011 61 H GLY 6 HN GLY 6 42.889 5.874 4.137 62 HA2 GLY 6 HA1 GLY 6 42.185 6.539 2.037 63 HA3 GLY 6 HA2 GLY 6 40.752 7.244 2.812 64 H LYS 7 HN LYS 7 44.218 7.820 2.161 65 HA LYS 7 HA LYS 7 44.025 10.667 2.727 66 HB2 LYS 7 HB2 LYS 7 46.288 10.759 1.708 67 HB3 LYS 7 HB1 LYS 7 46.155 9.471 2.928 68 HG2 LYS 7 HG2 LYS 7 45.654 7.851 1.041 69 HG3 LYS 7 HG1 LYS 7 46.041 9.160 -0.101 70 HD2 LYS 7 HD2 LYS 7 48.308 9.332 0.772 71 HD3 LYS 7 HD1 LYS 7 47.941 8.169 2.069 72 HE2 LYS 7 HE2 LYS 7 47.429 6.448 0.298 73 HE3 LYS 7 HE1 LYS 7 47.992 7.610 -0.928 74 HZ1 LYS 7 HZ1 LYS 7 49.640 5.897 0.054 75 HZ2 LYS 7 HZ2 LYS 7 49.704 6.951 1.386 76 HZ3 LYS 7 HZ3 LYS 7 50.148 7.501 -0.159 77 H GLY 8 HN GLY 8 44.885 12.224 0.934 78 HA2 GLY 8 HA1 GLY 8 44.721 13.039 -1.274 79 HA3 GLY 8 HA2 GLY 8 43.790 11.606 -1.750 80 H VAL 9 HN VAL 9 42.450 12.629 1.091 81 HA VAL 9 HA VAL 9 40.125 13.735 -0.288 82 HB VAL 9 HB VAL 9 39.216 14.026 2.031 83 HG11 VAL 9 HG11 VAL 9 40.513 11.337 1.403 84 HG12 VAL 9 HG12 VAL 9 38.916 11.895 0.848 85 HG13 VAL 9 HG13 VAL 9 39.201 11.587 2.578 86 HG21 VAL 9 HG21 VAL 9 40.563 13.120 3.921 87 HG22 VAL 9 HG22 VAL 9 41.348 14.533 3.179 88 HG23 VAL 9 HG23 VAL 9 41.942 12.894 2.820 89 H LYS 10 HN LYS 10 42.631 15.244 -0.592 90 HA LYS 10 HA LYS 10 42.293 17.670 1.055 91 HB2 LYS 10 HB2 LYS 10 44.070 17.106 -1.354 92 HB3 LYS 10 HB1 LYS 10 44.178 18.525 -0.284 93 HG2 LYS 10 HG2 LYS 10 44.835 17.190 1.594 94 HG3 LYS 10 HG1 LYS 10 44.391 15.676 0.769 95 HD2 LYS 10 HD2 LYS 10 46.188 15.988 -0.863 96 HD3 LYS 10 HD1 LYS 10 46.599 17.566 -0.149 97 HE2 LYS 10 HE2 LYS 10 46.748 14.874 1.278 98 HE3 LYS 10 HE1 LYS 10 48.136 15.808 0.672 99 HZ1 LYS 10 HZ1 LYS 10 46.583 17.528 2.222 100 HZ2 LYS 10 HZ2 LYS 10 48.131 16.919 2.571 101 HZ3 LYS 10 HZ3 LYS 10 46.747 16.093 3.112 102 H ILE 11 HN ILE 11 40.932 16.355 -1.763 103 HA ILE 11 HA ILE 11 39.780 19.034 -2.506 104 HB ILE 11 HB ILE 11 40.642 16.954 -4.556 105 HG12 ILE 11 HG12 ILE 11 42.114 19.464 -3.622 106 HG13 ILE 11 HG11 ILE 11 42.653 17.785 -3.387 107 HG21 ILE 11 HG21 ILE 11 40.101 19.935 -4.903 108 HG22 ILE 11 HG22 ILE 11 38.816 18.713 -5.044 109 HG23 ILE 11 HG23 ILE 11 40.197 18.681 -6.162 110 HD11 ILE 11 HD1 ILE 11 42.505 17.583 -5.981 111 HD12 ILE 11 HD2 ILE 11 43.859 18.513 -5.297 112 HD13 ILE 11 HD3 ILE 11 42.451 19.363 -5.973 113 H ILE 12 HN ILE 12 39.675 15.486 -2.729 114 HA ILE 12 HA ILE 12 36.914 15.433 -3.682 115 HB ILE 12 HB ILE 12 38.675 13.324 -2.393 116 HG12 ILE 12 HG12 ILE 12 38.013 13.498 -5.366 117 HG13 ILE 12 HG11 ILE 12 39.341 14.466 -4.691 118 HG21 ILE 12 HG21 ILE 12 36.991 11.785 -3.754 119 HG22 ILE 12 HG22 ILE 12 35.929 13.207 -3.696 120 HG23 ILE 12 HG23 ILE 12 36.488 12.448 -2.187 121 HD11 ILE 12 HD1 ILE 12 40.281 12.291 -3.716 122 HD12 ILE 12 HD2 ILE 12 40.324 12.428 -5.487 123 HD13 ILE 12 HD3 ILE 12 39.080 11.430 -4.707 124 H GLY 13 HN GLY 13 37.943 13.519 -0.881 125 HA2 GLY 13 HA1 GLY 13 35.558 14.104 0.603 126 HA3 GLY 13 HA2 GLY 13 37.058 13.407 1.259 127 H GLY 14 HN GLY 14 38.080 15.890 -0.393 128 HA2 GLY 14 HA1 GLY 14 38.406 17.643 1.968 129 HA3 GLY 14 HA2 GLY 14 39.152 17.844 0.366 130 H ALA 15 HN ALA 15 36.948 17.751 -1.325 131 HA ALA 15 HA ALA 15 35.672 20.378 -0.621 132 HB1 ALA 15 HB1 ALA 15 36.641 19.987 -2.911 133 HB2 ALA 15 HB2 ALA 15 34.913 20.405 -2.921 134 HB3 ALA 15 HB3 ALA 15 35.419 18.716 -3.160 135 H ALA 16 HN ALA 16 35.181 17.877 0.797 136 HA ALA 16 HA ALA 16 33.348 16.876 1.774 137 HB1 ALA 16 HB1 ALA 16 31.439 18.342 -0.063 138 HB2 ALA 16 HB2 ALA 16 32.277 19.213 1.243 139 HB3 ALA 16 HB3 ALA 16 31.216 17.837 1.628 140 H LEU 17 HN LEU 17 34.794 15.575 -0.162 141 HA LEU 17 HA LEU 17 34.614 13.716 -1.541 142 HB2 LEU 17 HB2 LEU 17 31.622 13.687 -0.991 143 HB3 LEU 17 HB1 LEU 17 32.633 12.338 -1.535 144 HG LEU 17 HG LEU 17 33.276 13.710 1.104 145 HD11 LEU 17 HD11 LEU 17 31.193 11.527 0.672 146 HD12 LEU 17 HD12 LEU 17 30.878 13.183 1.243 147 HD13 LEU 17 HD13 LEU 17 31.817 12.056 2.252 148 HD21 LEU 17 HD21 LEU 17 33.476 10.787 0.258 149 HD22 LEU 17 HD22 LEU 17 34.258 11.573 1.649 150 HD23 LEU 17 HD23 LEU 17 34.786 11.958 -0.004 151 H ASP 18 HN ASP 18 33.750 16.632 -2.283 152 HA ASP 18 HA ASP 18 33.156 17.730 -4.229 153 HB2 ASP 18 HB2 ASP 18 34.964 16.269 -5.139 154 HB3 ASP 18 HB1 ASP 18 33.734 15.056 -5.563 155 H HIS 19 HN HIS 19 32.034 14.497 -5.271 156 HA HIS 19 HA HIS 19 29.619 15.367 -6.389 157 HB2 HIS 19 HB2 HIS 19 30.174 12.725 -4.982 158 HB3 HIS 19 HB1 HIS 19 28.835 13.035 -6.113 159 HD1 HIS 19 HD1 HIS 19 29.543 13.742 -8.623 160 HD2 HIS 19 HD2 HIS 19 32.558 12.038 -6.236 161 HE1 HIS 19 HE1 HIS 19 31.448 13.052 -10.179 162 H LEU 20 HN LEU 20 30.025 13.919 -3.117 163 HA LEU 20 HA LEU 20 28.170 15.814 -1.944 164 HB2 LEU 20 HB2 LEU 20 26.751 14.047 -3.316 165 HB3 LEU 20 HB1 LEU 20 27.095 12.977 -1.939 166 HG LEU 20 HG LEU 20 25.745 15.716 -1.827 167 HD11 LEU 20 HD11 LEU 20 24.354 13.834 -2.697 168 HD12 LEU 20 HD12 LEU 20 23.775 14.426 -1.121 169 HD13 LEU 20 HD13 LEU 20 24.707 12.912 -1.217 170 HD21 LEU 20 HD21 LEU 20 26.988 15.541 0.203 171 HD22 LEU 20 HD22 LEU 20 26.686 13.792 0.340 172 HD23 LEU 20 HD23 LEU 20 25.366 14.952 0.630 Start of MODEL 100 1 H1 TRP 1 HT1 TRP 1 27.172 9.256 8.645 2 H2 TRP 1 HT2 TRP 1 26.459 10.510 7.744 3 H3 TRP 1 HT3 TRP 1 26.523 10.605 9.440 4 HA TRP 1 HA TRP 1 28.831 10.616 7.604 5 HB2 TRP 1 HB2 TRP 1 27.875 12.874 9.394 6 HB3 TRP 1 HB1 TRP 1 29.019 12.942 8.031 7 HD1 TRP 1 HD1 TRP 1 25.479 13.505 8.851 8 HE1 TRP 1 HE1 TRP 1 24.021 13.747 6.712 9 HE3 TRP 1 HE3 TRP 1 28.835 11.787 5.387 10 HZ2 TRP 1 HZ2 TRP 1 24.305 13.251 3.890 11 HZ3 TRP 1 HZ3 TRP 1 28.219 11.681 2.977 12 HH2 TRP 1 HH2 TRP 1 25.959 12.410 2.226 13 H LEU 2 HN LEU 2 30.668 9.969 8.500 14 HA LEU 2 HA LEU 2 30.760 9.129 11.258 15 HB2 LEU 2 HB2 LEU 2 32.841 9.482 9.084 16 HB3 LEU 2 HB1 LEU 2 33.301 8.983 10.723 17 HG LEU 2 HG LEU 2 32.918 7.101 9.028 18 HD11 LEU 2 HD11 LEU 2 31.009 6.837 11.382 19 HD12 LEU 2 HD12 LEU 2 32.768 6.918 11.623 20 HD13 LEU 2 HD13 LEU 2 32.065 5.610 10.651 21 HD21 LEU 2 HD21 LEU 2 30.668 6.486 8.425 22 HD22 LEU 2 HD22 LEU 2 30.861 8.209 8.026 23 HD23 LEU 2 HD23 LEU 2 29.969 7.727 9.489 24 H ARG 3 HN ARG 3 33.234 11.224 9.893 25 HA ARG 3 HA ARG 3 32.578 13.478 11.664 26 HB2 ARG 3 HB2 ARG 3 33.807 11.766 13.130 27 HB3 ARG 3 HB1 ARG 3 35.227 12.037 12.092 28 HG2 ARG 3 HG2 ARG 3 35.158 14.457 12.621 29 HG3 ARG 3 HG1 ARG 3 33.732 14.192 13.653 30 HD2 ARG 3 HD2 ARG 3 36.525 13.044 14.061 31 HD3 ARG 3 HD1 ARG 3 35.709 14.258 15.074 32 HE ARG 3 HE ARG 3 35.348 11.402 15.265 33 HH11 ARG 3 HH11 ARG 3 34.175 14.486 16.082 34 HH12 ARG 3 HH12 ARG 3 32.715 13.910 16.813 35 HH21 ARG 3 HH21 ARG 3 33.251 10.607 15.900 36 HH22 ARG 3 HH22 ARG 3 32.192 11.712 16.710 37 H ARG 4 HN ARG 4 34.125 11.876 9.106 38 HA ARG 4 HA ARG 4 34.763 14.378 7.778 39 HB2 ARG 4 HB2 ARG 4 36.736 13.877 9.435 40 HB3 ARG 4 HB1 ARG 4 37.159 12.586 8.295 41 HG2 ARG 4 HG2 ARG 4 38.420 14.344 7.403 42 HG3 ARG 4 HG1 ARG 4 36.917 14.552 6.479 43 HD2 ARG 4 HD2 ARG 4 36.158 16.199 8.267 44 HD3 ARG 4 HD1 ARG 4 37.792 16.088 8.963 45 HE ARG 4 HE ARG 4 37.073 17.625 6.637 46 HH11 ARG 4 HH11 ARG 4 38.614 17.193 4.763 47 HH12 ARG 4 HH12 ARG 4 40.282 17.153 5.227 48 HH21 ARG 4 HH21 ARG 4 39.607 16.858 8.616 49 HH22 ARG 4 HH22 ARG 4 40.844 16.964 7.409 50 H ILE 5 HN ILE 5 33.660 11.355 7.844 51 HA ILE 5 HA ILE 5 33.290 9.716 6.248 52 HB ILE 5 HB ILE 5 33.764 12.085 4.376 53 HG12 ILE 5 HG12 ILE 5 31.244 11.999 4.228 54 HG13 ILE 5 HG11 ILE 5 31.248 10.741 5.482 55 HG21 ILE 5 HG21 ILE 5 32.766 9.254 3.852 56 HG22 ILE 5 HG22 ILE 5 34.096 10.112 3.040 57 HG23 ILE 5 HG23 ILE 5 32.415 10.608 2.752 58 HD11 ILE 5 HD1 ILE 5 30.894 13.289 6.152 59 HD12 ILE 5 HD2 ILE 5 32.665 13.370 6.024 60 HD13 ILE 5 HD3 ILE 5 31.902 12.241 7.171 61 H GLY 6 HN GLY 6 35.001 8.355 6.663 62 HA2 GLY 6 HA1 GLY 6 37.059 7.335 6.327 63 HA3 GLY 6 HA2 GLY 6 36.693 7.617 4.615 64 H LYS 7 HN LYS 7 37.443 9.977 7.200 65 HA LYS 7 HA LYS 7 39.046 11.665 7.222 66 HB2 LYS 7 HB2 LYS 7 40.593 9.235 6.270 67 HB3 LYS 7 HB1 LYS 7 41.404 10.797 6.516 68 HG2 LYS 7 HG2 LYS 7 41.498 9.279 8.527 69 HG3 LYS 7 HG1 LYS 7 40.734 10.851 8.854 70 HD2 LYS 7 HD2 LYS 7 38.537 9.911 8.841 71 HD3 LYS 7 HD1 LYS 7 39.103 8.396 8.097 72 HE2 LYS 7 HE2 LYS 7 38.666 8.133 10.539 73 HE3 LYS 7 HE1 LYS 7 40.376 7.848 10.135 74 HZ1 LYS 7 HZ1 LYS 7 40.912 10.062 10.846 75 HZ2 LYS 7 HZ2 LYS 7 40.054 9.291 12.092 76 HZ3 LYS 7 HZ3 LYS 7 39.280 10.440 11.108 77 H GLY 8 HN GLY 8 38.421 13.244 5.836 78 HA2 GLY 8 HA1 GLY 8 38.260 13.129 3.052 79 HA3 GLY 8 HA2 GLY 8 38.619 14.604 3.971 80 H VAL 9 HN VAL 9 39.589 13.448 1.323 81 HA VAL 9 HA VAL 9 42.383 12.787 1.721 82 HB VAL 9 HB VAL 9 40.946 13.832 -0.764 83 HG11 VAL 9 HG11 VAL 9 43.320 14.164 -1.041 84 HG12 VAL 9 HG12 VAL 9 42.917 12.662 -1.904 85 HG13 VAL 9 HG13 VAL 9 43.690 12.589 -0.302 86 HG21 VAL 9 HG21 VAL 9 40.854 11.456 -1.404 87 HG22 VAL 9 HG22 VAL 9 40.044 11.694 0.164 88 HG23 VAL 9 HG23 VAL 9 41.682 11.000 0.105 89 H LYS 10 HN LYS 10 41.299 15.535 -0.273 90 HA LYS 10 HA LYS 10 42.463 17.569 1.414 91 HB2 LYS 10 HB2 LYS 10 44.555 16.398 0.663 92 HB3 LYS 10 HB1 LYS 10 44.117 16.787 -1.018 93 HG2 LYS 10 HG2 LYS 10 44.153 19.189 -0.507 94 HG3 LYS 10 HG1 LYS 10 44.494 18.842 1.205 95 HD2 LYS 10 HD2 LYS 10 46.616 17.728 0.549 96 HD3 LYS 10 HD1 LYS 10 46.280 18.111 -1.157 97 HE2 LYS 10 HE2 LYS 10 47.782 19.813 -0.298 98 HE3 LYS 10 HE1 LYS 10 46.179 20.556 -0.505 99 HZ1 LYS 10 HZ1 LYS 10 45.984 20.882 1.681 100 HZ2 LYS 10 HZ2 LYS 10 47.654 20.587 1.776 101 HZ3 LYS 10 HZ3 LYS 10 46.548 19.332 2.074 102 H ILE 11 HN ILE 11 41.224 16.368 -1.607 103 HA ILE 11 HA ILE 11 40.113 19.090 -2.206 104 HB ILE 11 HB ILE 11 41.257 17.284 -4.380 105 HG12 ILE 11 HG12 ILE 11 42.543 19.659 -2.952 106 HG13 ILE 11 HG11 ILE 11 43.117 17.976 -2.938 107 HG21 ILE 11 HG21 ILE 11 39.442 19.053 -4.848 108 HG22 ILE 11 HG22 ILE 11 40.936 19.187 -5.802 109 HG23 ILE 11 HG23 ILE 11 40.664 20.273 -4.418 110 HD11 ILE 11 HD1 ILE 11 44.473 19.034 -4.575 111 HD12 ILE 11 HD2 ILE 11 43.102 19.949 -5.245 112 HD13 ILE 11 HD3 ILE 11 43.226 18.195 -5.530 113 H ILE 12 HN ILE 12 40.181 15.615 -3.070 114 HA ILE 12 HA ILE 12 37.427 15.687 -4.079 115 HB ILE 12 HB ILE 12 39.226 13.371 -3.286 116 HG12 ILE 12 HG12 ILE 12 40.332 14.639 -5.019 117 HG13 ILE 12 HG11 ILE 12 39.662 13.183 -5.778 118 HG21 ILE 12 HG21 ILE 12 37.110 12.374 -3.428 119 HG22 ILE 12 HG22 ILE 12 37.632 12.228 -5.119 120 HG23 ILE 12 HG23 ILE 12 36.516 13.528 -4.640 121 HD11 ILE 12 HD1 ILE 12 38.720 16.058 -6.000 122 HD12 ILE 12 HD2 ILE 12 37.588 14.722 -6.310 123 HD13 ILE 12 HD3 ILE 12 39.058 14.887 -7.293 124 H GLY 13 HN GLY 13 38.396 13.113 -1.862 125 HA2 GLY 13 HA1 GLY 13 36.011 13.233 -0.323 126 HA3 GLY 13 HA2 GLY 13 37.542 12.493 0.199 127 H GLY 14 HN GLY 14 38.540 15.294 -0.684 128 HA2 GLY 14 HA1 GLY 14 38.638 16.439 2.025 129 HA3 GLY 14 HA2 GLY 14 39.443 17.058 0.564 130 H ALA 15 HN ALA 15 37.368 17.374 -1.237 131 HA ALA 15 HA ALA 15 35.947 19.682 0.025 132 HB1 ALA 15 HB1 ALA 15 36.926 19.868 -2.272 133 HB2 ALA 15 HB2 ALA 15 35.176 20.176 -2.224 134 HB3 ALA 15 HB3 ALA 15 35.784 18.616 -2.821 135 H ALA 16 HN ALA 16 35.503 16.904 0.842 136 HA ALA 16 HA ALA 16 33.663 15.734 1.602 137 HB1 ALA 16 HB1 ALA 16 31.509 16.642 1.555 138 HB2 ALA 16 HB2 ALA 16 31.742 17.398 -0.039 139 HB3 ALA 16 HB3 ALA 16 32.519 18.098 1.401 140 H LEU 17 HN LEU 17 35.244 15.024 -0.685 141 HA LEU 17 HA LEU 17 35.135 13.568 -2.503 142 HB2 LEU 17 HB2 LEU 17 33.726 12.418 -0.494 143 HB3 LEU 17 HB1 LEU 17 32.413 12.552 -1.679 144 HG LEU 17 HG LEU 17 35.122 11.235 -2.211 145 HD11 LEU 17 HD11 LEU 17 33.853 9.909 -0.614 146 HD12 LEU 17 HD12 LEU 17 33.737 9.127 -2.210 147 HD13 LEU 17 HD13 LEU 17 32.371 10.082 -1.585 148 HD21 LEU 17 HD21 LEU 17 32.535 11.404 -3.827 149 HD22 LEU 17 HD22 LEU 17 33.916 10.359 -4.237 150 HD23 LEU 17 HD23 LEU 17 34.104 12.128 -4.256 151 H ASP 18 HN ASP 18 34.381 16.128 -3.123 152 HA ASP 18 HA ASP 18 33.216 17.366 -4.701 153 HB2 ASP 18 HB2 ASP 18 32.878 14.592 -5.910 154 HB3 ASP 18 HB1 ASP 18 32.480 16.112 -6.748 155 H HIS 19 HN HIS 19 31.190 14.485 -5.157 156 HA HIS 19 HA HIS 19 29.042 15.498 -3.447 157 HB2 HIS 19 HB2 HIS 19 27.417 15.880 -5.275 158 HB3 HIS 19 HB1 HIS 19 28.779 17.024 -5.364 159 HD1 HIS 19 HD1 HIS 19 30.393 14.127 -6.428 160 HD2 HIS 19 HD2 HIS 19 27.391 16.461 -8.224 161 HE1 HIS 19 HE1 HIS 19 30.487 13.684 -8.943 162 H LEU 20 HN LEU 20 30.323 13.125 -3.297 163 HA LEU 20 HA LEU 20 30.019 10.821 -3.395 164 HB2 LEU 20 HB2 LEU 20 27.178 11.890 -3.361 165 HB3 LEU 20 HB1 LEU 20 27.507 10.143 -3.354 166 HG LEU 20 HG LEU 20 28.811 10.342 -1.300 167 HD11 LEU 20 HD11 LEU 20 28.782 12.662 -0.136 168 HD12 LEU 20 HD12 LEU 20 28.382 13.323 -1.740 169 HD13 LEU 20 HD13 LEU 20 29.912 12.447 -1.490 170 HD21 LEU 20 HD21 LEU 20 26.336 10.139 -1.122 171 HD22 LEU 20 HD22 LEU 20 26.201 11.914 -1.101 172 HD23 LEU 20 HD23 LEU 20 27.017 11.068 0.236
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