NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653817 | 6rsf | 34404 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 46.910 23.795 12.379 2 H2 GLY 1 HT2 GLY 1 48.005 24.873 11.652 3 H3 GLY 1 HT3 GLY 1 46.707 24.240 10.756 4 HA2 GLY 1 HA1 GLY 1 46.455 25.978 13.109 5 HA3 GLY 1 HA2 GLY 1 46.365 26.523 11.441 6 H TRP 2 HN TRP 2 44.485 26.314 10.334 7 HA TRP 2 HA TRP 2 42.109 25.657 11.839 8 HB2 TRP 2 HB2 TRP 2 42.345 26.293 8.891 9 HB3 TRP 2 HB1 TRP 2 40.901 26.407 9.896 10 HD1 TRP 2 HD1 TRP 2 41.490 28.044 12.246 11 HE1 TRP 2 HE1 TRP 2 42.458 30.434 12.171 12 HE3 TRP 2 HE3 TRP 2 43.607 27.981 7.585 13 HZ2 TRP 2 HZ2 TRP 2 43.942 32.110 10.369 14 HZ3 TRP 2 HZ3 TRP 2 44.795 29.987 6.710 15 HH2 TRP 2 HH2 TRP 2 44.965 32.049 8.096 16 H GLY 3 HN GLY 3 44.217 24.035 9.642 17 HA2 GLY 3 HA1 GLY 3 43.168 21.497 10.093 18 HA3 GLY 3 HA2 GLY 3 42.436 22.100 8.612 19 H SER 4 HN SER 4 45.499 23.413 9.132 20 HA SER 4 HA SER 4 47.485 23.173 7.999 21 HB2 SER 4 HB2 SER 4 47.678 21.243 9.520 22 HB3 SER 4 HB1 SER 4 46.838 20.234 8.345 23 HG SER 4 HG SER 4 48.740 19.943 7.515 24 H PHE 5 HN PHE 5 45.555 23.837 6.284 25 HA PHE 5 HA PHE 5 45.172 21.971 4.146 26 HB2 PHE 5 HB2 PHE 5 44.816 24.975 4.252 27 HB3 PHE 5 HB1 PHE 5 44.281 23.941 2.926 28 HD1 PHE 5 HD1 PHE 5 43.738 24.867 6.466 29 HD2 PHE 5 HD2 PHE 5 42.390 22.409 3.184 30 HE1 PHE 5 HE1 PHE 5 41.642 24.351 7.713 31 HE2 PHE 5 HE2 PHE 5 40.294 21.893 4.431 32 HZ PHE 5 HZ PHE 5 39.893 22.917 6.667 33 H PHE 6 HN PHE 6 47.106 21.233 3.342 34 HA PHE 6 HA PHE 6 48.532 23.020 1.558 35 HB2 PHE 6 HB2 PHE 6 49.939 21.773 3.934 36 HB3 PHE 6 HB1 PHE 6 50.760 22.502 2.556 37 HD1 PHE 6 HD1 PHE 6 50.277 24.951 1.983 38 HD2 PHE 6 HD2 PHE 6 49.109 23.133 5.720 39 HE1 PHE 6 HE1 PHE 6 50.023 27.210 3.004 40 HE2 PHE 6 HE2 PHE 6 48.856 25.392 6.741 41 HZ PHE 6 HZ PHE 6 49.293 27.430 5.377 42 H ARG 7 HN ARG 7 49.572 20.044 3.185 43 HA ARG 7 HA ARG 7 50.396 18.742 0.842 44 HB2 ARG 7 HB2 ARG 7 50.322 16.667 2.252 45 HB3 ARG 7 HB1 ARG 7 51.209 18.003 2.987 46 HG2 ARG 7 HG2 ARG 7 49.164 18.611 4.277 47 HG3 ARG 7 HG1 ARG 7 48.348 17.204 3.596 48 HD2 ARG 7 HD2 ARG 7 49.252 16.679 5.823 49 HD3 ARG 7 HD1 ARG 7 50.077 15.734 4.584 50 HE ARG 7 HE ARG 7 52.043 16.771 5.334 51 HH11 ARG 7 HH11 ARG 7 53.085 18.905 5.099 52 HH12 ARG 7 HH12 ARG 7 52.365 20.199 5.997 53 HH21 ARG 7 HH21 ARG 7 49.485 18.426 6.755 54 HH22 ARG 7 HH22 ARG 7 50.327 19.928 6.934 55 H ARG 8 HN ARG 8 47.251 19.145 2.213 56 HA ARG 8 HA ARG 8 45.915 16.900 1.186 57 HB2 ARG 8 HB2 ARG 8 44.762 19.684 1.443 58 HB3 ARG 8 HB1 ARG 8 43.883 18.157 1.479 59 HG2 ARG 8 HG2 ARG 8 45.970 19.009 3.514 60 HG3 ARG 8 HG1 ARG 8 44.229 19.094 3.757 61 HD2 ARG 8 HD2 ARG 8 44.248 16.546 3.180 62 HD3 ARG 8 HD1 ARG 8 45.975 16.645 3.528 63 HE ARG 8 HE ARG 8 44.682 17.865 5.702 64 HH11 ARG 8 HH11 ARG 8 42.564 16.234 6.088 65 HH12 ARG 8 HH12 ARG 8 43.157 14.704 6.641 66 HH21 ARG 8 HH21 ARG 8 46.404 15.272 5.564 67 HH22 ARG 8 HH22 ARG 8 45.331 14.160 6.346 68 H ALA 9 HN ALA 9 47.315 19.572 -0.422 69 HA ALA 9 HA ALA 9 45.615 19.616 -2.724 70 HB1 ALA 9 HB1 ALA 9 47.366 20.987 -3.724 71 HB2 ALA 9 HB2 ALA 9 48.469 20.557 -2.416 72 HB3 ALA 9 HB3 ALA 9 47.033 21.522 -2.077 73 H ALA 10 HN ALA 10 47.541 17.215 -1.613 74 HA ALA 10 HA ALA 10 47.520 15.798 -4.087 75 HB1 ALA 10 HB1 ALA 10 50.256 16.580 -3.090 76 HB2 ALA 10 HB2 ALA 10 49.442 17.378 -4.436 77 HB3 ALA 10 HB3 ALA 10 49.863 15.668 -4.547 78 H HIS 11 HN HIS 11 47.315 15.855 -0.911 79 HA HIS 11 HA HIS 11 47.518 14.326 0.799 80 HB2 HIS 11 HB2 HIS 11 46.029 13.086 -0.754 81 HB3 HIS 11 HB1 HIS 11 47.451 12.355 -1.496 82 HD1 HIS 11 HD1 HIS 11 48.230 10.223 -0.458 83 HD2 HIS 11 HD2 HIS 11 45.852 12.429 2.157 84 HE1 HIS 11 HE1 HIS 11 47.963 8.814 1.630 85 H VAL 12 HN VAL 12 49.718 15.142 1.154 86 HA VAL 12 HA VAL 12 51.944 14.825 1.601 87 HB VAL 12 HB VAL 12 51.352 11.881 1.152 88 HG11 VAL 12 HG11 VAL 12 53.518 13.384 2.648 89 HG12 VAL 12 HG12 VAL 12 53.727 12.334 1.246 90 HG13 VAL 12 HG13 VAL 12 53.245 11.648 2.798 91 HG21 VAL 12 HG21 VAL 12 50.960 11.820 3.596 92 HG22 VAL 12 HG22 VAL 12 49.797 12.875 2.794 93 HG23 VAL 12 HG23 VAL 12 51.161 13.570 3.669 94 H GLY 13 HN GLY 13 51.542 12.103 -0.645 95 HA2 GLY 13 HA1 GLY 13 52.645 13.478 -2.888 96 HA3 GLY 13 HA2 GLY 13 53.849 12.475 -2.090 97 H ARG 14 HN ARG 14 50.562 11.453 -1.936 98 HA ARG 14 HA ARG 14 49.554 9.530 -2.707 99 HB2 ARG 14 HB2 ARG 14 50.901 10.313 -5.301 100 HB3 ARG 14 HB1 ARG 14 49.449 9.329 -5.115 101 HG2 ARG 14 HG2 ARG 14 48.355 11.298 -3.982 102 HG3 ARG 14 HG1 ARG 14 49.768 12.260 -4.416 103 HD2 ARG 14 HD2 ARG 14 49.375 11.880 -6.779 104 HD3 ARG 14 HD1 ARG 14 48.068 10.751 -6.421 105 HE ARG 14 HE ARG 14 47.383 13.191 -5.183 106 HH11 ARG 14 HH11 ARG 14 47.494 11.575 -8.198 107 HH12 ARG 14 HH12 ARG 14 46.659 12.824 -9.062 108 HH21 ARG 14 HH21 ARG 14 46.519 14.974 -6.347 109 HH22 ARG 14 HH22 ARG 14 46.110 14.748 -8.015 110 H HIS 15 HN HIS 15 50.399 7.773 -4.788 111 HA HIS 15 HA HIS 15 51.568 5.802 -4.968 112 HB2 HIS 15 HB2 HIS 15 53.259 7.338 -5.839 113 HB3 HIS 15 HB1 HIS 15 53.841 7.654 -4.206 114 HD1 HIS 15 HD1 HIS 15 52.999 4.221 -4.157 115 HD2 HIS 15 HD2 HIS 15 56.216 6.359 -5.723 116 HE1 HIS 15 HE1 HIS 15 54.867 2.548 -4.514 117 H VAL 16 HN VAL 16 53.989 6.699 -2.679 118 HA VAL 16 HA VAL 16 53.728 4.458 -1.075 119 HB VAL 16 HB VAL 16 55.024 5.688 0.636 120 HG11 VAL 16 HG11 VAL 16 55.940 6.347 -2.179 121 HG12 VAL 16 HG12 VAL 16 56.130 4.769 -1.412 122 HG13 VAL 16 HG13 VAL 16 56.965 6.176 -0.754 123 HG21 VAL 16 HG21 VAL 16 53.951 7.849 0.565 124 HG22 VAL 16 HG22 VAL 16 54.358 8.055 -1.139 125 HG23 VAL 16 HG23 VAL 16 55.630 8.086 0.083 126 H GLY 17 HN GLY 17 52.055 7.542 -0.884 127 HA2 GLY 17 HA1 GLY 17 50.965 7.329 1.683 128 HA3 GLY 17 HA2 GLY 17 50.255 8.233 0.353 129 H ARG 18 HN ARG 18 49.355 6.566 -1.411 130 HA ARG 18 HA ARG 18 47.084 5.369 -0.253 131 HB2 ARG 18 HB2 ARG 18 48.255 4.653 -2.947 132 HB3 ARG 18 HB1 ARG 18 46.565 4.580 -2.450 133 HG2 ARG 18 HG2 ARG 18 48.242 7.089 -2.768 134 HG3 ARG 18 HG1 ARG 18 46.921 6.572 -3.816 135 HD2 ARG 18 HD2 ARG 18 46.779 7.590 -0.977 136 HD3 ARG 18 HD1 ARG 18 45.897 8.155 -2.396 137 HE ARG 18 HE ARG 18 45.049 5.528 -2.069 138 HH11 ARG 18 HH11 ARG 18 42.699 6.282 -1.689 139 HH12 ARG 18 HH12 ARG 18 42.413 6.795 -0.059 140 HH21 ARG 18 HH21 ARG 18 45.779 7.090 0.719 141 HH22 ARG 18 HH22 ARG 18 44.157 7.254 1.303 142 H ALA 19 HN ALA 19 49.651 3.641 -2.036 143 HA ALA 19 HA ALA 19 50.082 1.725 0.034 144 HB1 ALA 19 HB1 ALA 19 48.493 0.775 -2.352 145 HB2 ALA 19 HB2 ALA 19 47.830 1.022 -0.737 146 HB3 ALA 19 HB3 ALA 19 49.063 -0.211 -1.005 147 H ALA 20 HN ALA 20 51.366 -0.203 -0.871 148 HA ALA 20 HA ALA 20 52.654 0.059 -3.399 149 HB1 ALA 20 HB1 ALA 20 54.847 0.754 -2.689 150 HB2 ALA 20 HB2 ALA 20 54.331 0.806 -1.003 151 HB3 ALA 20 HB3 ALA 20 53.684 1.968 -2.160 152 H LEU 21 HN LEU 21 51.999 -1.487 -0.479 153 HA LEU 21 HA LEU 21 54.024 -3.410 -0.272 154 HB2 LEU 21 HB2 LEU 21 51.110 -3.975 0.292 155 HB3 LEU 21 HB1 LEU 21 52.527 -4.655 1.090 156 HG LEU 21 HG LEU 21 51.549 -1.790 1.253 157 HD11 LEU 21 HD11 LEU 21 50.339 -3.449 2.640 158 HD12 LEU 21 HD12 LEU 21 51.265 -2.323 3.634 159 HD13 LEU 21 HD13 LEU 21 51.871 -3.956 3.352 160 HD21 LEU 21 HD21 LEU 21 54.110 -3.099 2.208 161 HD22 LEU 21 HD22 LEU 21 53.480 -1.634 2.960 162 HD23 LEU 21 HD23 LEU 21 53.930 -1.625 1.258 163 H THR 22 HN THR 22 51.666 -2.966 -2.695 164 HA THR 22 HA THR 22 51.374 -5.672 -3.553 165 HB THR 22 HB THR 22 50.501 -4.682 -5.658 166 HG1 THR 22 HG1 THR 22 50.454 -2.136 -4.913 167 HG21 THR 22 HG21 THR 22 49.549 -3.446 -3.063 168 HG22 THR 22 HG22 THR 22 48.942 -4.913 -3.831 169 HG23 THR 22 HG23 THR 22 48.656 -3.343 -4.580 170 H HIS 23 HN HIS 23 53.582 -3.042 -4.379 171 HA HIS 23 HA HIS 23 54.828 -4.350 -6.578 172 HB2 HIS 23 HB2 HIS 23 56.042 -2.247 -4.776 173 HB3 HIS 23 HB1 HIS 23 56.489 -2.616 -6.443 174 HD1 HIS 23 HD1 HIS 23 53.101 -2.960 -6.798 175 HD2 HIS 23 HD2 HIS 23 55.390 0.413 -5.937 176 HE1 HIS 23 HE1 HIS 23 51.718 -0.958 -7.499 177 H TYR 24 HN TYR 24 56.052 -6.111 -6.505 178 HA TYR 24 HA TYR 24 56.992 -7.292 -4.112 179 HB2 TYR 24 HB2 TYR 24 56.538 -8.557 -6.195 180 HB3 TYR 24 HB1 TYR 24 57.934 -7.784 -6.947 181 HD1 TYR 24 HD1 TYR 24 60.196 -8.465 -6.415 182 HD2 TYR 24 HD2 TYR 24 56.839 -10.083 -4.234 183 HE1 TYR 24 HE1 TYR 24 61.687 -10.178 -5.389 184 HE2 TYR 24 HE2 TYR 24 58.331 -11.795 -3.209 185 HH TYR 24 HH TYR 24 61.802 -11.723 -3.606 186 H LEU 25 HN LEU 25 58.166 -4.682 -5.902 187 HA LEU 25 HA LEU 25 60.927 -4.917 -5.778 188 HB2 LEU 25 HB2 LEU 25 59.917 -3.079 -6.962 189 HB3 LEU 25 HB1 LEU 25 59.145 -2.486 -5.496 190 HG LEU 25 HG LEU 25 61.276 -1.848 -4.543 191 HD11 LEU 25 HD11 LEU 25 63.373 -2.162 -6.030 192 HD12 LEU 25 HD12 LEU 25 62.421 -3.369 -6.898 193 HD13 LEU 25 HD13 LEU 25 62.768 -3.584 -5.182 194 HD21 LEU 25 HD21 LEU 25 60.279 -0.274 -6.151 195 HD22 LEU 25 HD22 LEU 25 61.136 -1.068 -7.473 196 HD23 LEU 25 HD23 LEU 25 62.040 -0.203 -6.230 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 42.770 27.088 7.368 2 H2 GLY 1 HT2 GLY 1 44.353 26.582 7.724 3 H3 GLY 1 HT3 GLY 1 43.472 27.495 8.855 4 HA2 GLY 1 HA1 GLY 1 42.088 25.786 9.386 5 HA3 GLY 1 HA2 GLY 1 42.493 24.915 7.913 6 H TRP 2 HN TRP 2 42.819 23.120 9.445 7 HA TRP 2 HA TRP 2 45.064 23.215 11.257 8 HB2 TRP 2 HB2 TRP 2 43.383 20.916 10.229 9 HB3 TRP 2 HB1 TRP 2 44.637 20.760 11.459 10 HD1 TRP 2 HD1 TRP 2 41.187 22.285 10.861 11 HE1 TRP 2 HE1 TRP 2 40.138 22.895 13.136 12 HE3 TRP 2 HE3 TRP 2 45.178 21.370 13.935 13 HZ2 TRP 2 HZ2 TRP 2 40.888 22.987 15.909 14 HZ3 TRP 2 HZ3 TRP 2 44.987 21.726 16.392 15 HH2 TRP 2 HH2 TRP 2 42.848 22.533 17.381 16 H GLY 3 HN GLY 3 46.557 24.025 9.534 17 HA2 GLY 3 HA1 GLY 3 48.510 23.564 8.395 18 HA3 GLY 3 HA2 GLY 3 48.164 21.849 8.560 19 H SER 4 HN SER 4 45.388 22.887 7.386 20 HA SER 4 HA SER 4 44.367 22.838 5.335 21 HB2 SER 4 HB2 SER 4 45.843 24.887 5.074 22 HB3 SER 4 HB1 SER 4 46.980 23.854 4.213 23 HG SER 4 HG SER 4 44.467 23.471 3.318 24 H PHE 5 HN PHE 5 46.756 20.789 6.168 25 HA PHE 5 HA PHE 5 47.310 19.535 3.633 26 HB2 PHE 5 HB2 PHE 5 47.707 18.557 6.471 27 HB3 PHE 5 HB1 PHE 5 48.286 17.722 5.032 28 HD1 PHE 5 HD1 PHE 5 49.629 19.314 3.306 29 HD2 PHE 5 HD2 PHE 5 49.231 20.005 7.551 30 HE1 PHE 5 HE1 PHE 5 51.660 20.753 3.265 31 HE2 PHE 5 HE2 PHE 5 51.262 21.444 7.505 32 HZ PHE 5 HZ PHE 5 52.483 21.808 5.366 33 H PHE 6 HN PHE 6 45.873 18.402 2.527 34 HA PHE 6 HA PHE 6 44.302 16.323 3.786 35 HB2 PHE 6 HB2 PHE 6 42.961 18.760 2.587 36 HB3 PHE 6 HB1 PHE 6 42.132 17.228 2.860 37 HD1 PHE 6 HD1 PHE 6 43.089 20.352 4.348 38 HD2 PHE 6 HD2 PHE 6 42.280 16.211 5.265 39 HE1 PHE 6 HE1 PHE 6 42.714 20.953 6.736 40 HE2 PHE 6 HE2 PHE 6 41.904 16.815 7.653 41 HZ PHE 6 HZ PHE 6 42.134 19.183 8.391 42 H ARG 7 HN ARG 7 46.250 15.927 2.021 43 HA ARG 7 HA ARG 7 46.784 15.033 -0.026 44 HB2 ARG 7 HB2 ARG 7 44.937 13.482 0.778 45 HB3 ARG 7 HB1 ARG 7 43.833 14.402 -0.245 46 HG2 ARG 7 HG2 ARG 7 45.293 13.916 -2.206 47 HG3 ARG 7 HG1 ARG 7 46.317 12.924 -1.167 48 HD2 ARG 7 HD2 ARG 7 44.404 11.459 -0.661 49 HD3 ARG 7 HD1 ARG 7 43.364 12.455 -1.679 50 HE ARG 7 HE ARG 7 45.644 11.546 -3.181 51 HH11 ARG 7 HH11 ARG 7 44.027 9.366 -1.436 52 HH12 ARG 7 HH12 ARG 7 43.150 8.622 -2.731 53 HH21 ARG 7 HH21 ARG 7 43.920 11.103 -5.028 54 HH22 ARG 7 HH22 ARG 7 43.089 9.607 -4.765 55 H ARG 8 HN ARG 8 46.949 17.505 -0.461 56 HA ARG 8 HA ARG 8 45.794 17.969 -3.073 57 HB2 ARG 8 HB2 ARG 8 44.870 20.232 -2.365 58 HB3 ARG 8 HB1 ARG 8 43.944 18.829 -1.835 59 HG2 ARG 8 HG2 ARG 8 45.005 18.924 0.372 60 HG3 ARG 8 HG1 ARG 8 46.003 20.282 -0.148 61 HD2 ARG 8 HD2 ARG 8 42.976 20.259 0.040 62 HD3 ARG 8 HD1 ARG 8 44.081 21.113 1.119 63 HE ARG 8 HE ARG 8 44.651 22.003 -1.500 64 HH11 ARG 8 HH11 ARG 8 44.237 24.344 -1.241 65 HH12 ARG 8 HH12 ARG 8 42.592 24.786 -0.931 66 HH21 ARG 8 HH21 ARG 8 41.573 21.545 -0.235 67 HH22 ARG 8 HH22 ARG 8 41.084 23.201 -0.362 68 H ALA 9 HN ALA 9 47.735 19.076 -0.354 69 HA ALA 9 HA ALA 9 49.107 21.134 -1.794 70 HB1 ALA 9 HB1 ALA 9 50.675 21.074 0.122 71 HB2 ALA 9 HB2 ALA 9 49.840 19.646 0.731 72 HB3 ALA 9 HB3 ALA 9 48.991 21.188 0.631 73 H ALA 10 HN ALA 10 50.316 20.676 -3.521 74 HA ALA 10 HA ALA 10 51.833 19.653 -4.910 75 HB1 ALA 10 HB1 ALA 10 53.039 18.909 -2.241 76 HB2 ALA 10 HB2 ALA 10 53.399 20.349 -3.193 77 HB3 ALA 10 HB3 ALA 10 53.856 18.756 -3.795 78 H HIS 11 HN HIS 11 52.251 17.255 -2.366 79 HA HIS 11 HA HIS 11 50.472 15.323 -3.547 80 HB2 HIS 11 HB2 HIS 11 52.204 13.725 -4.240 81 HB3 HIS 11 HB1 HIS 11 52.329 15.222 -5.164 82 HD1 HIS 11 HD1 HIS 11 54.281 16.876 -4.493 83 HD2 HIS 11 HD2 HIS 11 54.461 13.122 -2.694 84 HE1 HIS 11 HE1 HIS 11 56.596 16.674 -3.486 85 H VAL 12 HN VAL 12 51.321 16.600 -0.945 86 HA VAL 12 HA VAL 12 52.497 14.538 0.658 87 HB VAL 12 HB VAL 12 50.831 16.895 1.590 88 HG11 VAL 12 HG11 VAL 12 52.889 15.119 2.932 89 HG12 VAL 12 HG12 VAL 12 51.177 15.247 3.334 90 HG13 VAL 12 HG13 VAL 12 52.259 16.605 3.642 91 HG21 VAL 12 HG21 VAL 12 52.676 17.668 0.169 92 HG22 VAL 12 HG22 VAL 12 53.813 16.662 1.068 93 HG23 VAL 12 HG23 VAL 12 53.032 18.032 1.858 94 H GLY 13 HN GLY 13 51.110 12.747 -0.014 95 HA2 GLY 13 HA1 GLY 13 49.037 12.259 1.883 96 HA3 GLY 13 HA2 GLY 13 48.379 12.547 0.278 97 H ARG 14 HN ARG 14 50.983 11.352 -0.808 98 HA ARG 14 HA ARG 14 49.986 8.725 -1.223 99 HB2 ARG 14 HB2 ARG 14 52.777 9.803 -1.691 100 HB3 ARG 14 HB1 ARG 14 52.108 8.323 -2.378 101 HG2 ARG 14 HG2 ARG 14 50.313 9.693 -3.458 102 HG3 ARG 14 HG1 ARG 14 51.121 11.147 -2.869 103 HD2 ARG 14 HD2 ARG 14 51.846 10.765 -5.147 104 HD3 ARG 14 HD1 ARG 14 53.198 10.395 -4.076 105 HE ARG 14 HE ARG 14 51.614 8.035 -4.640 106 HH11 ARG 14 HH11 ARG 14 51.909 8.342 -7.353 107 HH12 ARG 14 HH12 ARG 14 53.560 7.979 -7.730 108 HH21 ARG 14 HH21 ARG 14 54.666 8.356 -4.464 109 HH22 ARG 14 HH22 ARG 14 55.121 7.985 -6.094 110 H HIS 15 HN HIS 15 52.842 9.885 0.582 111 HA HIS 15 HA HIS 15 53.676 7.452 1.629 112 HB2 HIS 15 HB2 HIS 15 54.926 9.598 1.811 113 HB3 HIS 15 HB1 HIS 15 53.778 10.129 3.038 114 HD1 HIS 15 HD1 HIS 15 55.265 6.651 2.690 115 HD2 HIS 15 HD2 HIS 15 55.299 9.856 5.354 116 HE1 HIS 15 HE1 HIS 15 56.541 5.871 4.733 117 H VAL 16 HN VAL 16 52.127 9.837 3.756 118 HA VAL 16 HA VAL 16 51.088 7.761 5.457 119 HB VAL 16 HB VAL 16 50.411 10.717 5.510 120 HG11 VAL 16 HG11 VAL 16 48.913 9.348 6.855 121 HG12 VAL 16 HG12 VAL 16 50.017 10.203 7.931 122 HG13 VAL 16 HG13 VAL 16 50.281 8.497 7.573 123 HG21 VAL 16 HG21 VAL 16 52.873 10.291 5.594 124 HG22 VAL 16 HG22 VAL 16 52.613 9.224 6.974 125 HG23 VAL 16 HG23 VAL 16 52.249 10.945 7.108 126 H GLY 17 HN GLY 17 49.825 6.665 3.772 127 HA2 GLY 17 HA1 GLY 17 47.108 6.987 4.025 128 HA3 GLY 17 HA2 GLY 17 47.544 7.932 2.607 129 H ARG 18 HN ARG 18 49.015 6.705 1.031 130 HA ARG 18 HA ARG 18 47.652 4.252 0.313 131 HB2 ARG 18 HB2 ARG 18 48.393 6.007 -1.341 132 HB3 ARG 18 HB1 ARG 18 50.056 5.511 -1.024 133 HG2 ARG 18 HG2 ARG 18 49.515 3.211 -1.718 134 HG3 ARG 18 HG1 ARG 18 47.844 3.689 -2.019 135 HD2 ARG 18 HD2 ARG 18 48.612 5.307 -3.720 136 HD3 ARG 18 HD1 ARG 18 50.282 4.821 -3.426 137 HE ARG 18 HE ARG 18 48.568 2.571 -4.126 138 HH11 ARG 18 HH11 ARG 18 51.516 3.359 -4.861 139 HH12 ARG 18 HH12 ARG 18 51.365 3.457 -6.584 140 HH21 ARG 18 HH21 ARG 18 47.898 3.494 -6.545 141 HH22 ARG 18 HH22 ARG 18 49.317 3.533 -7.537 142 H ALA 19 HN ALA 19 51.133 5.014 0.559 143 HA ALA 19 HA ALA 19 52.929 3.679 1.101 144 HB1 ALA 19 HB1 ALA 19 52.790 2.632 3.246 145 HB2 ALA 19 HB2 ALA 19 51.032 2.532 3.147 146 HB3 ALA 19 HB3 ALA 19 51.817 4.102 3.318 147 H ALA 20 HN ALA 20 53.170 2.386 -0.706 148 HA ALA 20 HA ALA 20 52.763 -0.407 -0.348 149 HB1 ALA 20 HB1 ALA 20 51.234 -0.720 -2.308 150 HB2 ALA 20 HB2 ALA 20 50.950 1.021 -2.293 151 HB3 ALA 20 HB3 ALA 20 50.473 0.036 -0.909 152 H LEU 21 HN LEU 21 55.087 0.663 -0.778 153 HA LEU 21 HA LEU 21 55.776 1.090 -3.528 154 HB2 LEU 21 HB2 LEU 21 57.368 0.636 -1.001 155 HB3 LEU 21 HB1 LEU 21 58.162 0.730 -2.572 156 HG LEU 21 HG LEU 21 57.266 2.962 -2.947 157 HD11 LEU 21 HD11 LEU 21 55.770 2.417 -0.373 158 HD12 LEU 21 HD12 LEU 21 55.116 2.913 -1.934 159 HD13 LEU 21 HD13 LEU 21 56.035 4.058 -0.963 160 HD21 LEU 21 HD21 LEU 21 58.448 4.156 -1.156 161 HD22 LEU 21 HD22 LEU 21 59.357 2.721 -1.625 162 HD23 LEU 21 HD23 LEU 21 58.403 2.714 -0.143 163 H THR 22 HN THR 22 54.605 -1.572 -2.207 164 HA THR 22 HA THR 22 56.472 -3.605 -2.893 165 HB THR 22 HB THR 22 54.624 -5.162 -2.623 166 HG1 THR 22 HG1 THR 22 52.748 -3.206 -2.153 167 HG21 THR 22 HG21 THR 22 53.896 -4.550 -0.375 168 HG22 THR 22 HG22 THR 22 54.329 -2.866 -0.667 169 HG23 THR 22 HG23 THR 22 55.587 -4.099 -0.587 170 H HIS 23 HN HIS 23 57.242 -3.503 -4.955 171 HA HIS 23 HA HIS 23 55.702 -2.880 -7.248 172 HB2 HIS 23 HB2 HIS 23 58.158 -2.709 -7.197 173 HB3 HIS 23 HB1 HIS 23 58.277 -4.462 -7.045 174 HD1 HIS 23 HD1 HIS 23 59.146 -5.183 -9.289 175 HD2 HIS 23 HD2 HIS 23 56.037 -2.432 -9.645 176 HE1 HIS 23 HE1 HIS 23 58.583 -5.054 -11.755 177 H TYR 24 HN TYR 24 54.855 -4.220 -8.865 178 HA TYR 24 HA TYR 24 53.624 -6.619 -7.949 179 HB2 TYR 24 HB2 TYR 24 52.652 -5.105 -9.680 180 HB3 TYR 24 HB1 TYR 24 53.909 -5.637 -10.797 181 HD1 TYR 24 HD1 TYR 24 50.899 -6.664 -8.900 182 HD2 TYR 24 HD2 TYR 24 53.897 -7.882 -11.756 183 HE1 TYR 24 HE1 TYR 24 49.540 -8.674 -9.468 184 HE2 TYR 24 HE2 TYR 24 52.538 -9.893 -12.324 185 HH TYR 24 HH TYR 24 50.559 -10.959 -11.991 186 H LEU 25 HN LEU 25 54.275 -8.683 -8.074 187 HA LEU 25 HA LEU 25 56.956 -9.303 -8.845 188 HB2 LEU 25 HB2 LEU 25 54.583 -10.955 -7.971 189 HB3 LEU 25 HB1 LEU 25 56.086 -11.719 -8.482 190 HG LEU 25 HG LEU 25 57.322 -10.441 -6.766 191 HD11 LEU 25 HD11 LEU 25 54.570 -9.307 -6.215 192 HD12 LEU 25 HD12 LEU 25 56.079 -8.436 -6.493 193 HD13 LEU 25 HD13 LEU 25 55.831 -9.306 -4.982 194 HD21 LEU 25 HD21 LEU 25 56.473 -11.665 -4.835 195 HD22 LEU 25 HD22 LEU 25 56.326 -12.683 -6.267 196 HD23 LEU 25 HD23 LEU 25 54.904 -11.868 -5.614 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 46.880 28.744 9.468 2 H2 GLY 1 HT2 GLY 1 47.890 29.416 8.279 3 H3 GLY 1 HT3 GLY 1 48.513 29.038 9.815 4 HA2 GLY 1 HA1 GLY 1 47.957 26.703 9.390 5 HA3 GLY 1 HA2 GLY 1 47.581 27.185 7.742 6 H TRP 2 HN TRP 2 49.318 25.529 7.368 7 HA TRP 2 HA TRP 2 51.757 26.874 6.707 8 HB2 TRP 2 HB2 TRP 2 53.265 25.516 8.098 9 HB3 TRP 2 HB1 TRP 2 52.183 26.481 9.101 10 HD1 TRP 2 HD1 TRP 2 49.799 25.080 9.777 11 HE1 TRP 2 HE1 TRP 2 49.629 22.662 10.653 12 HE3 TRP 2 HE3 TRP 2 54.312 23.256 8.187 13 HZ2 TRP 2 HZ2 TRP 2 51.200 20.256 10.682 14 HZ3 TRP 2 HZ3 TRP 2 54.955 20.897 8.650 15 HH2 TRP 2 HH2 TRP 2 53.404 19.396 9.896 16 H GLY 3 HN GLY 3 52.957 23.970 7.180 17 HA2 GLY 3 HA1 GLY 3 52.511 23.104 4.480 18 HA3 GLY 3 HA2 GLY 3 53.495 22.294 5.691 19 H SER 4 HN SER 4 50.049 23.155 5.746 20 HA SER 4 HA SER 4 49.262 20.671 6.858 21 HB2 SER 4 HB2 SER 4 47.025 21.455 6.616 22 HB3 SER 4 HB1 SER 4 48.004 22.877 6.967 23 HG SER 4 HG SER 4 48.134 22.748 4.435 24 H PHE 5 HN PHE 5 46.924 20.233 5.161 25 HA PHE 5 HA PHE 5 47.807 19.504 2.531 26 HB2 PHE 5 HB2 PHE 5 47.631 17.062 2.826 27 HB3 PHE 5 HB1 PHE 5 48.946 17.736 3.789 28 HD1 PHE 5 HD1 PHE 5 45.507 16.349 3.893 29 HD2 PHE 5 HD2 PHE 5 48.843 17.787 6.223 30 HE1 PHE 5 HE1 PHE 5 44.468 15.416 5.957 31 HE2 PHE 5 HE2 PHE 5 47.804 16.854 8.287 32 HZ PHE 5 HZ PHE 5 45.621 15.659 8.151 33 H PHE 6 HN PHE 6 46.105 18.381 1.316 34 HA PHE 6 HA PHE 6 43.500 18.021 2.455 35 HB2 PHE 6 HB2 PHE 6 43.619 20.507 2.369 36 HB3 PHE 6 HB1 PHE 6 43.871 20.404 0.625 37 HD1 PHE 6 HD1 PHE 6 41.497 19.503 3.372 38 HD2 PHE 6 HD2 PHE 6 42.025 20.094 -0.871 39 HE1 PHE 6 HE1 PHE 6 39.035 19.316 3.039 40 HE2 PHE 6 HE2 PHE 6 39.563 19.907 -1.203 41 HZ PHE 6 HZ PHE 6 38.075 19.452 0.744 42 H ARG 7 HN ARG 7 45.262 18.788 -0.541 43 HA ARG 7 HA ARG 7 44.462 16.309 -1.761 44 HB2 ARG 7 HB2 ARG 7 42.427 17.814 -2.031 45 HB3 ARG 7 HB1 ARG 7 43.426 18.835 -3.066 46 HG2 ARG 7 HG2 ARG 7 43.893 16.855 -4.510 47 HG3 ARG 7 HG1 ARG 7 42.796 15.901 -3.509 48 HD2 ARG 7 HD2 ARG 7 41.975 18.449 -4.928 49 HD3 ARG 7 HD1 ARG 7 41.736 16.838 -5.602 50 HE ARG 7 HE ARG 7 40.630 17.006 -2.941 51 HH11 ARG 7 HH11 ARG 7 40.103 18.819 -5.742 52 HH12 ARG 7 HH12 ARG 7 38.409 18.472 -5.849 53 HH21 ARG 7 HH21 ARG 7 38.455 16.147 -3.277 54 HH22 ARG 7 HH22 ARG 7 37.476 16.959 -4.452 55 H ARG 8 HN ARG 8 46.922 16.733 -1.423 56 HA ARG 8 HA ARG 8 48.039 17.250 -4.034 57 HB2 ARG 8 HB2 ARG 8 47.847 19.545 -2.990 58 HB3 ARG 8 HB1 ARG 8 48.974 18.998 -1.749 59 HG2 ARG 8 HG2 ARG 8 50.632 18.455 -3.514 60 HG3 ARG 8 HG1 ARG 8 49.512 19.066 -4.733 61 HD2 ARG 8 HD2 ARG 8 49.505 21.269 -3.475 62 HD3 ARG 8 HD1 ARG 8 50.829 20.631 -2.501 63 HE ARG 8 HE ARG 8 51.156 21.765 -5.067 64 HH11 ARG 8 HH11 ARG 8 51.462 19.113 -6.167 65 HH12 ARG 8 HH12 ARG 8 53.108 18.697 -5.822 66 HH21 ARG 8 HH21 ARG 8 53.494 21.142 -3.393 67 HH22 ARG 8 HH22 ARG 8 54.258 19.846 -4.252 68 H ALA 9 HN ALA 9 50.112 16.392 -4.262 69 HA ALA 9 HA ALA 9 51.819 14.919 -3.835 70 HB1 ALA 9 HB1 ALA 9 52.365 16.777 -2.208 71 HB2 ALA 9 HB2 ALA 9 53.008 15.189 -1.792 72 HB3 ALA 9 HB3 ALA 9 51.580 15.806 -0.963 73 H ALA 10 HN ALA 10 48.778 14.451 -2.861 74 HA ALA 10 HA ALA 10 47.562 12.678 -2.055 75 HB1 ALA 10 HB1 ALA 10 48.554 11.503 -3.903 76 HB2 ALA 10 HB2 ALA 10 48.559 10.430 -2.503 77 HB3 ALA 10 HB3 ALA 10 50.044 11.243 -2.998 78 H HIS 11 HN HIS 11 47.233 12.787 0.086 79 HA HIS 11 HA HIS 11 48.889 11.222 1.854 80 HB2 HIS 11 HB2 HIS 11 50.130 13.405 1.707 81 HB3 HIS 11 HB1 HIS 11 48.708 14.196 2.384 82 HD1 HIS 11 HD1 HIS 11 50.550 10.984 3.341 83 HD2 HIS 11 HD2 HIS 11 49.207 14.529 5.074 84 HE1 HIS 11 HE1 HIS 11 51.093 10.825 5.809 85 H VAL 12 HN VAL 12 46.143 13.242 1.197 86 HA VAL 12 HA VAL 12 44.836 13.265 3.654 87 HB VAL 12 HB VAL 12 44.035 14.483 1.628 88 HG11 VAL 12 HG11 VAL 12 42.872 13.338 -0.128 89 HG12 VAL 12 HG12 VAL 12 42.905 11.811 0.755 90 HG13 VAL 12 HG13 VAL 12 44.398 12.482 0.098 91 HG21 VAL 12 HG21 VAL 12 41.664 14.186 2.090 92 HG22 VAL 12 HG22 VAL 12 42.556 14.032 3.603 93 HG23 VAL 12 HG23 VAL 12 41.959 12.591 2.781 94 H GLY 13 HN GLY 13 45.022 10.734 1.205 95 HA2 GLY 13 HA1 GLY 13 44.778 8.569 2.865 96 HA3 GLY 13 HA2 GLY 13 43.121 9.004 2.470 97 H ARG 14 HN ARG 14 46.249 8.154 1.044 98 HA ARG 14 HA ARG 14 45.007 6.431 -0.878 99 HB2 ARG 14 HB2 ARG 14 44.563 8.572 -1.988 100 HB3 ARG 14 HB1 ARG 14 46.260 9.012 -1.854 101 HG2 ARG 14 HG2 ARG 14 45.701 8.178 -4.120 102 HG3 ARG 14 HG1 ARG 14 46.897 7.157 -3.332 103 HD2 ARG 14 HD2 ARG 14 44.870 6.023 -4.545 104 HD3 ARG 14 HD1 ARG 14 45.350 5.416 -2.962 105 HE ARG 14 HE ARG 14 43.273 6.158 -2.138 106 HH11 ARG 14 HH11 ARG 14 41.949 8.123 -1.944 107 HH12 ARG 14 HH12 ARG 14 41.402 8.824 -3.432 108 HH21 ARG 14 HH21 ARG 14 43.505 6.909 -5.414 109 HH22 ARG 14 HH22 ARG 14 42.284 8.136 -5.396 110 H HIS 15 HN HIS 15 47.907 8.330 -0.095 111 HA HIS 15 HA HIS 15 49.761 6.549 -1.305 112 HB2 HIS 15 HB2 HIS 15 50.302 8.895 -0.766 113 HB3 HIS 15 HB1 HIS 15 50.195 8.518 0.954 114 HD1 HIS 15 HD1 HIS 15 52.132 7.205 2.017 115 HD2 HIS 15 HD2 HIS 15 52.587 7.759 -2.091 116 HE1 HIS 15 HE1 HIS 15 54.501 6.506 1.458 117 H VAL 16 HN VAL 16 49.588 7.221 2.183 118 HA VAL 16 HA VAL 16 50.788 4.797 2.952 119 HB VAL 16 HB VAL 16 48.883 6.462 4.624 120 HG11 VAL 16 HG11 VAL 16 50.335 5.567 6.475 121 HG12 VAL 16 HG12 VAL 16 51.116 4.521 5.289 122 HG13 VAL 16 HG13 VAL 16 49.399 4.324 5.643 123 HG21 VAL 16 HG21 VAL 16 51.868 6.736 4.143 124 HG22 VAL 16 HG22 VAL 16 50.973 7.606 5.389 125 HG23 VAL 16 HG23 VAL 16 50.623 7.899 3.686 126 H GLY 17 HN GLY 17 47.520 5.572 2.101 127 HA2 GLY 17 HA1 GLY 17 46.258 3.376 3.414 128 HA3 GLY 17 HA2 GLY 17 45.570 4.354 2.126 129 H ARG 18 HN ARG 18 46.893 3.948 -0.051 130 HA ARG 18 HA ARG 18 46.256 1.323 -0.869 131 HB2 ARG 18 HB2 ARG 18 46.354 3.244 -2.415 132 HB3 ARG 18 HB1 ARG 18 48.102 3.323 -2.196 133 HG2 ARG 18 HG2 ARG 18 48.405 1.148 -3.182 134 HG3 ARG 18 HG1 ARG 18 46.666 0.849 -3.187 135 HD2 ARG 18 HD2 ARG 18 46.314 2.615 -4.817 136 HD3 ARG 18 HD1 ARG 18 48.013 3.082 -4.733 137 HE ARG 18 HE ARG 18 46.934 0.864 -6.268 138 HH11 ARG 18 HH11 ARG 18 49.640 2.213 -4.618 139 HH12 ARG 18 HH12 ARG 18 50.798 1.194 -5.406 140 HH21 ARG 18 HH21 ARG 18 48.421 -0.534 -7.246 141 HH22 ARG 18 HH22 ARG 18 50.108 -0.361 -6.896 142 H ALA 19 HN ALA 19 49.467 2.855 -0.518 143 HA ALA 19 HA ALA 19 50.609 0.514 0.679 144 HB1 ALA 19 HB1 ALA 19 50.560 -0.344 -1.570 145 HB2 ALA 19 HB2 ALA 19 52.227 0.074 -1.171 146 HB3 ALA 19 HB3 ALA 19 51.272 1.143 -2.198 147 H ALA 20 HN ALA 20 52.048 1.307 2.057 148 HA ALA 20 HA ALA 20 53.012 3.994 1.877 149 HB1 ALA 20 HB1 ALA 20 52.614 2.938 4.034 150 HB2 ALA 20 HB2 ALA 20 54.309 3.402 3.890 151 HB3 ALA 20 HB3 ALA 20 53.836 1.716 3.682 152 H LEU 21 HN LEU 21 54.348 0.817 1.146 153 HA LEU 21 HA LEU 21 57.027 1.773 0.697 154 HB2 LEU 21 HB2 LEU 21 55.842 -0.806 -0.342 155 HB3 LEU 21 HB1 LEU 21 57.531 -0.452 0.012 156 HG LEU 21 HG LEU 21 55.295 -0.578 2.062 157 HD11 LEU 21 HD11 LEU 21 56.282 -2.664 2.764 158 HD12 LEU 21 HD12 LEU 21 57.627 -2.466 1.640 159 HD13 LEU 21 HD13 LEU 21 56.001 -2.768 1.027 160 HD21 LEU 21 HD21 LEU 21 56.925 0.952 2.891 161 HD22 LEU 21 HD22 LEU 21 58.265 0.002 2.246 162 HD23 LEU 21 HD23 LEU 21 57.351 -0.589 3.634 163 H THR 22 HN THR 22 54.974 0.084 -1.670 164 HA THR 22 HA THR 22 54.690 0.399 -3.922 165 HB THR 22 HB THR 22 55.084 3.337 -3.264 166 HG1 THR 22 HG1 THR 22 53.454 2.245 -2.027 167 HG21 THR 22 HG21 THR 22 53.482 3.543 -5.244 168 HG22 THR 22 HG22 THR 22 53.831 1.848 -5.581 169 HG23 THR 22 HG23 THR 22 55.128 3.044 -5.631 170 H HIS 23 HN HIS 23 56.867 3.163 -3.465 171 HA HIS 23 HA HIS 23 58.833 3.700 -4.540 172 HB2 HIS 23 HB2 HIS 23 59.573 2.133 -2.744 173 HB3 HIS 23 HB1 HIS 23 59.477 0.813 -3.908 174 HD1 HIS 23 HD1 HIS 23 61.882 0.291 -4.407 175 HD2 HIS 23 HD2 HIS 23 61.149 4.393 -4.456 176 HE1 HIS 23 HE1 HIS 23 64.002 1.388 -5.252 177 H TYR 24 HN TYR 24 56.621 2.131 -6.101 178 HA TYR 24 HA TYR 24 56.313 1.337 -8.236 179 HB2 TYR 24 HB2 TYR 24 58.820 2.980 -8.644 180 HB3 TYR 24 HB1 TYR 24 57.848 2.310 -9.954 181 HD1 TYR 24 HD1 TYR 24 55.602 3.164 -10.444 182 HD2 TYR 24 HD2 TYR 24 57.965 4.795 -7.223 183 HE1 TYR 24 HE1 TYR 24 54.051 5.109 -10.291 184 HE2 TYR 24 HE2 TYR 24 56.414 6.740 -7.070 185 HH TYR 24 HH TYR 24 53.595 6.915 -7.932 186 H LEU 25 HN LEU 25 56.629 -0.864 -7.760 187 HA LEU 25 HA LEU 25 59.235 -2.069 -7.760 188 HB2 LEU 25 HB2 LEU 25 56.623 -3.516 -8.224 189 HB3 LEU 25 HB1 LEU 25 58.100 -4.131 -7.479 190 HG LEU 25 HG LEU 25 56.257 -2.010 -6.335 191 HD11 LEU 25 HD11 LEU 25 56.922 -4.828 -5.428 192 HD12 LEU 25 HD12 LEU 25 55.407 -4.323 -6.176 193 HD13 LEU 25 HD13 LEU 25 55.856 -3.704 -4.586 194 HD21 LEU 25 HD21 LEU 25 58.458 -1.404 -5.643 195 HD22 LEU 25 HD22 LEU 25 58.944 -3.086 -5.430 196 HD23 LEU 25 HD23 LEU 25 57.812 -2.343 -4.300 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 49.449 21.174 3.965 2 H2 GLY 1 HT2 GLY 1 49.945 19.592 4.342 3 H3 GLY 1 HT3 GLY 1 51.094 20.835 4.193 4 HA2 GLY 1 HA1 GLY 1 50.718 20.313 6.469 5 HA3 GLY 1 HA2 GLY 1 50.194 21.946 6.082 6 H TRP 2 HN TRP 2 47.917 22.337 5.783 7 HA TRP 2 HA TRP 2 45.965 20.334 6.364 8 HB2 TRP 2 HB2 TRP 2 46.906 20.609 8.630 9 HB3 TRP 2 HB1 TRP 2 46.556 22.336 8.557 10 HD1 TRP 2 HD1 TRP 2 44.262 23.053 9.393 11 HE1 TRP 2 HE1 TRP 2 42.036 21.863 9.919 12 HE3 TRP 2 HE3 TRP 2 45.389 18.331 7.765 13 HZ2 TRP 2 HZ2 TRP 2 40.872 19.245 9.684 14 HZ3 TRP 2 HZ3 TRP 2 43.706 16.504 7.926 15 HH2 TRP 2 HH2 TRP 2 41.450 16.956 8.883 16 H GLY 3 HN GLY 3 46.892 23.694 6.070 17 HA2 GLY 3 HA1 GLY 3 44.430 24.963 6.038 18 HA3 GLY 3 HA2 GLY 3 45.828 25.481 5.105 19 H SER 4 HN SER 4 45.466 22.522 3.977 20 HA SER 4 HA SER 4 43.110 22.667 2.375 21 HB2 SER 4 HB2 SER 4 44.336 24.442 1.232 22 HB3 SER 4 HB1 SER 4 45.732 23.385 1.042 23 HG SER 4 HG SER 4 43.163 23.177 -0.126 24 H PHE 5 HN PHE 5 42.875 20.834 0.996 25 HA PHE 5 HA PHE 5 44.937 18.881 0.688 26 HB2 PHE 5 HB2 PHE 5 43.939 17.129 2.116 27 HB3 PHE 5 HB1 PHE 5 44.497 18.505 3.068 28 HD1 PHE 5 HD1 PHE 5 41.549 16.680 1.803 29 HD2 PHE 5 HD2 PHE 5 42.907 20.075 4.097 30 HE1 PHE 5 HE1 PHE 5 39.249 16.986 2.713 31 HE2 PHE 5 HE2 PHE 5 40.608 20.380 5.007 32 HZ PHE 5 HZ PHE 5 38.791 18.803 4.356 33 H PHE 6 HN PHE 6 44.367 17.299 -0.777 34 HA PHE 6 HA PHE 6 41.638 16.753 -1.486 35 HB2 PHE 6 HB2 PHE 6 42.132 19.016 -2.567 36 HB3 PHE 6 HB1 PHE 6 43.282 18.168 -3.598 37 HD1 PHE 6 HD1 PHE 6 42.531 16.950 -5.518 38 HD2 PHE 6 HD2 PHE 6 39.698 18.208 -2.514 39 HE1 PHE 6 HE1 PHE 6 40.651 16.233 -6.989 40 HE2 PHE 6 HE2 PHE 6 37.821 17.492 -3.985 41 HZ PHE 6 HZ PHE 6 38.299 16.441 -6.192 42 H ARG 7 HN ARG 7 43.688 15.113 -0.657 43 HA ARG 7 HA ARG 7 44.815 13.188 -1.180 44 HB2 ARG 7 HB2 ARG 7 42.468 12.761 -2.141 45 HB3 ARG 7 HB1 ARG 7 43.173 13.113 -3.718 46 HG2 ARG 7 HG2 ARG 7 44.818 11.313 -3.410 47 HG3 ARG 7 HG1 ARG 7 44.182 10.987 -1.799 48 HD2 ARG 7 HD2 ARG 7 41.948 10.512 -2.849 49 HD3 ARG 7 HD1 ARG 7 42.714 10.666 -4.429 50 HE ARG 7 HE ARG 7 44.210 8.787 -2.902 51 HH11 ARG 7 HH11 ARG 7 41.375 8.009 -2.172 52 HH12 ARG 7 HH12 ARG 7 41.003 6.859 -3.412 53 HH21 ARG 7 HH21 ARG 7 43.632 7.817 -5.460 54 HH22 ARG 7 HH22 ARG 7 42.281 6.750 -5.274 55 H ARG 8 HN ARG 8 46.325 15.313 -1.727 56 HA ARG 8 HA ARG 8 47.227 15.408 -4.464 57 HB2 ARG 8 HB2 ARG 8 48.485 16.491 -1.931 58 HB3 ARG 8 HB1 ARG 8 48.999 16.875 -3.573 59 HG2 ARG 8 HG2 ARG 8 46.811 17.851 -4.066 60 HG3 ARG 8 HG1 ARG 8 46.226 17.401 -2.463 61 HD2 ARG 8 HD2 ARG 8 48.078 18.811 -1.485 62 HD3 ARG 8 HD1 ARG 8 48.422 19.383 -3.118 63 HE ARG 8 HE ARG 8 45.638 19.750 -2.560 64 HH11 ARG 8 HH11 ARG 8 45.049 21.951 -2.501 65 HH12 ARG 8 HH12 ARG 8 46.137 23.090 -1.782 66 HH21 ARG 8 HH21 ARG 8 48.663 20.765 -1.290 67 HH22 ARG 8 HH22 ARG 8 48.184 22.418 -1.096 68 H ALA 9 HN ALA 9 47.809 13.385 -1.784 69 HA ALA 9 HA ALA 9 49.293 11.679 -1.385 70 HB1 ALA 9 HB1 ALA 9 49.787 11.756 -4.360 71 HB2 ALA 9 HB2 ALA 9 48.353 11.029 -3.634 72 HB3 ALA 9 HB3 ALA 9 49.951 10.378 -3.273 73 H ALA 10 HN ALA 10 50.652 13.281 -0.287 74 HA ALA 10 HA ALA 10 53.354 13.152 -1.223 75 HB1 ALA 10 HB1 ALA 10 51.977 15.841 -1.233 76 HB2 ALA 10 HB2 ALA 10 52.630 14.992 -2.634 77 HB3 ALA 10 HB3 ALA 10 53.717 15.595 -1.383 78 H HIS 11 HN HIS 11 50.952 14.392 1.003 79 HA HIS 11 HA HIS 11 52.537 13.739 3.277 80 HB2 HIS 11 HB2 HIS 11 52.764 16.068 4.159 81 HB3 HIS 11 HB1 HIS 11 53.764 15.753 2.742 82 HD1 HIS 11 HD1 HIS 11 50.044 16.504 2.714 83 HD2 HIS 11 HD2 HIS 11 53.628 18.306 1.587 84 HE1 HIS 11 HE1 HIS 11 49.421 18.565 1.383 85 H VAL 12 HN VAL 12 49.697 14.280 1.777 86 HA VAL 12 HA VAL 12 48.102 15.383 3.882 87 HB VAL 12 HB VAL 12 46.171 14.548 2.552 88 HG11 VAL 12 HG11 VAL 12 48.287 15.807 0.785 89 HG12 VAL 12 HG12 VAL 12 47.388 16.698 2.013 90 HG13 VAL 12 HG13 VAL 12 46.538 15.981 0.643 91 HG21 VAL 12 HG21 VAL 12 47.102 12.457 1.733 92 HG22 VAL 12 HG22 VAL 12 48.383 13.316 0.879 93 HG23 VAL 12 HG23 VAL 12 46.710 13.469 0.342 94 H GLY 13 HN GLY 13 49.565 12.370 3.418 95 HA2 GLY 13 HA1 GLY 13 48.744 11.269 5.826 96 HA3 GLY 13 HA2 GLY 13 47.638 10.657 4.602 97 H ARG 14 HN ARG 14 50.816 10.499 5.925 98 HA ARG 14 HA ARG 14 52.024 8.984 3.816 99 HB2 ARG 14 HB2 ARG 14 53.792 8.526 5.489 100 HB3 ARG 14 HB1 ARG 14 53.402 10.242 5.382 101 HG2 ARG 14 HG2 ARG 14 51.795 9.859 7.339 102 HG3 ARG 14 HG1 ARG 14 52.552 8.276 7.522 103 HD2 ARG 14 HD2 ARG 14 53.702 9.770 9.012 104 HD3 ARG 14 HD1 ARG 14 54.785 9.475 7.651 105 HE ARG 14 HE ARG 14 54.658 11.776 7.197 106 HH11 ARG 14 HH11 ARG 14 52.523 12.839 6.208 107 HH12 ARG 14 HH12 ARG 14 51.507 13.462 7.465 108 HH21 ARG 14 HH21 ARG 14 53.059 11.651 9.982 109 HH22 ARG 14 HH22 ARG 14 51.811 12.790 9.602 110 H HIS 15 HN HIS 15 51.920 6.873 3.400 111 HA HIS 15 HA HIS 15 50.156 5.182 4.954 112 HB2 HIS 15 HB2 HIS 15 50.198 5.044 2.498 113 HB3 HIS 15 HB1 HIS 15 51.891 4.551 2.553 114 HD1 HIS 15 HD1 HIS 15 49.303 3.300 4.999 115 HD2 HIS 15 HD2 HIS 15 51.498 1.883 1.752 116 HE1 HIS 15 HE1 HIS 15 48.903 0.800 4.899 117 H VAL 16 HN VAL 16 53.551 4.884 3.905 118 HA VAL 16 HA VAL 16 54.333 3.830 6.519 119 HB VAL 16 HB VAL 16 55.459 1.848 5.468 120 HG11 VAL 16 HG11 VAL 16 53.477 0.477 5.407 121 HG12 VAL 16 HG12 VAL 16 52.466 1.862 4.997 122 HG13 VAL 16 HG13 VAL 16 53.196 1.747 6.598 123 HG21 VAL 16 HG21 VAL 16 55.528 2.671 3.155 124 HG22 VAL 16 HG22 VAL 16 53.766 2.666 3.084 125 HG23 VAL 16 HG23 VAL 16 54.647 1.145 3.222 126 H GLY 17 HN GLY 17 54.813 5.866 4.091 127 HA2 GLY 17 HA1 GLY 17 57.331 6.742 4.824 128 HA3 GLY 17 HA2 GLY 17 57.577 5.623 3.488 129 H ARG 18 HN ARG 18 55.117 8.094 4.218 130 HA ARG 18 HA ARG 18 54.243 9.787 2.935 131 HB2 ARG 18 HB2 ARG 18 57.158 9.850 2.138 132 HB3 ARG 18 HB1 ARG 18 55.995 11.017 1.511 133 HG2 ARG 18 HG2 ARG 18 57.145 11.906 3.503 134 HG3 ARG 18 HG1 ARG 18 55.424 11.698 3.812 135 HD2 ARG 18 HD2 ARG 18 55.772 9.800 5.170 136 HD3 ARG 18 HD1 ARG 18 57.382 9.504 4.509 137 HE ARG 18 HE ARG 18 56.755 11.281 6.714 138 HH11 ARG 18 HH11 ARG 18 59.231 9.797 5.107 139 HH12 ARG 18 HH12 ARG 18 60.380 11.084 5.273 140 HH21 ARG 18 HH21 ARG 18 58.051 13.362 6.463 141 HH22 ARG 18 HH22 ARG 18 59.710 13.102 6.040 142 H ALA 19 HN ALA 19 53.178 7.757 1.915 143 HA ALA 19 HA ALA 19 53.146 8.165 -0.926 144 HB1 ALA 19 HB1 ALA 19 53.816 5.922 -1.591 145 HB2 ALA 19 HB2 ALA 19 54.137 5.498 0.091 146 HB3 ALA 19 HB3 ALA 19 55.130 6.710 -0.719 147 H ALA 20 HN ALA 20 51.886 5.938 -1.802 148 HA ALA 20 HA ALA 20 49.860 4.993 -0.011 149 HB1 ALA 20 HB1 ALA 20 49.006 6.977 -2.122 150 HB2 ALA 20 HB2 ALA 20 49.081 7.317 -0.392 151 HB3 ALA 20 HB3 ALA 20 47.953 6.108 -1.006 152 H LEU 21 HN LEU 21 49.034 3.130 -0.774 153 HA LEU 21 HA LEU 21 48.793 1.300 -2.146 154 HB2 LEU 21 HB2 LEU 21 48.464 3.281 -4.402 155 HB3 LEU 21 HB1 LEU 21 47.707 1.698 -4.215 156 HG LEU 21 HG LEU 21 47.183 4.155 -2.516 157 HD11 LEU 21 HD11 LEU 21 44.924 4.006 -3.500 158 HD12 LEU 21 HD12 LEU 21 45.434 2.617 -4.461 159 HD13 LEU 21 HD13 LEU 21 46.148 4.204 -4.755 160 HD21 LEU 21 HD21 LEU 21 46.244 1.282 -2.295 161 HD22 LEU 21 HD22 LEU 21 45.327 2.615 -1.590 162 HD23 LEU 21 HD23 LEU 21 46.970 2.293 -1.043 163 H THR 22 HN THR 22 51.237 1.189 -1.691 164 HA THR 22 HA THR 22 53.046 1.844 -3.806 165 HB THR 22 HB THR 22 54.709 0.647 -2.551 166 HG1 THR 22 HG1 THR 22 53.877 -1.229 -1.968 167 HG21 THR 22 HG21 THR 22 53.771 2.776 -1.558 168 HG22 THR 22 HG22 THR 22 54.527 1.693 -0.390 169 HG23 THR 22 HG23 THR 22 52.769 1.767 -0.514 170 H HIS 23 HN HIS 23 54.436 -0.779 -3.692 171 HA HIS 23 HA HIS 23 54.613 -2.631 -5.042 172 HB2 HIS 23 HB2 HIS 23 51.647 -2.799 -4.455 173 HB3 HIS 23 HB1 HIS 23 52.641 -4.107 -5.098 174 HD1 HIS 23 HD1 HIS 23 54.955 -2.678 -2.984 175 HD2 HIS 23 HD2 HIS 23 51.486 -4.855 -2.224 176 HE1 HIS 23 HE1 HIS 23 55.167 -3.558 -0.619 177 H TYR 24 HN TYR 24 54.253 -0.134 -6.375 178 HA TYR 24 HA TYR 24 52.313 -0.282 -8.440 179 HB2 TYR 24 HB2 TYR 24 53.595 1.498 -9.510 180 HB3 TYR 24 HB1 TYR 24 53.459 1.815 -7.780 181 HD1 TYR 24 HD1 TYR 24 55.394 1.599 -6.286 182 HD2 TYR 24 HD2 TYR 24 55.726 0.792 -10.513 183 HE1 TYR 24 HE1 TYR 24 57.878 1.649 -6.101 184 HE2 TYR 24 HE2 TYR 24 58.211 0.841 -10.327 185 HH TYR 24 HH TYR 24 59.879 0.417 -8.611 186 H LEU 25 HN LEU 25 52.627 -0.741 -10.681 187 HA LEU 25 HA LEU 25 54.148 -3.118 -11.151 188 HB2 LEU 25 HB2 LEU 25 52.506 -1.290 -12.910 189 HB3 LEU 25 HB1 LEU 25 53.405 -2.646 -13.587 190 HG LEU 25 HG LEU 25 52.195 -4.219 -12.183 191 HD11 LEU 25 HD11 LEU 25 50.223 -3.258 -10.813 192 HD12 LEU 25 HD12 LEU 25 51.049 -1.705 -10.950 193 HD13 LEU 25 HD13 LEU 25 51.841 -3.059 -10.143 194 HD21 LEU 25 HD21 LEU 25 49.910 -3.876 -13.088 195 HD22 LEU 25 HD22 LEU 25 51.143 -3.559 -14.308 196 HD23 LEU 25 HD23 LEU 25 50.334 -2.214 -13.502 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 49.173 30.354 2.366 2 H2 GLY 1 HT2 GLY 1 48.049 30.296 3.640 3 H3 GLY 1 HT3 GLY 1 47.859 29.289 2.285 4 HA2 GLY 1 HA1 GLY 1 48.946 27.738 3.308 5 HA3 GLY 1 HA2 GLY 1 50.361 28.777 3.225 6 H TRP 2 HN TRP 2 48.393 27.089 5.272 7 HA TRP 2 HA TRP 2 49.622 28.240 7.617 8 HB2 TRP 2 HB2 TRP 2 47.743 29.807 7.276 9 HB3 TRP 2 HB1 TRP 2 46.616 28.451 7.295 10 HD1 TRP 2 HD1 TRP 2 49.443 29.776 9.596 11 HE1 TRP 2 HE1 TRP 2 48.666 29.530 12.042 12 HE3 TRP 2 HE3 TRP 2 44.859 27.624 8.843 13 HZ2 TRP 2 HZ2 TRP 2 46.394 28.548 13.501 14 HZ3 TRP 2 HZ3 TRP 2 43.405 27.040 10.778 15 HH2 TRP 2 HH2 TRP 2 44.168 27.500 13.105 16 H GLY 3 HN GLY 3 50.363 26.013 7.576 17 HA2 GLY 3 HA1 GLY 3 50.350 23.919 8.515 18 HA3 GLY 3 HA2 GLY 3 48.833 24.344 9.294 19 H SER 4 HN SER 4 48.664 24.849 5.977 20 HA SER 4 HA SER 4 46.681 22.900 5.554 21 HB2 SER 4 HB2 SER 4 48.429 24.356 3.559 22 HB3 SER 4 HB1 SER 4 47.005 23.409 3.139 23 HG SER 4 HG SER 4 46.679 25.277 5.157 24 H PHE 5 HN PHE 5 50.156 22.894 4.853 25 HA PHE 5 HA PHE 5 50.183 20.386 3.511 26 HB2 PHE 5 HB2 PHE 5 51.997 22.065 3.316 27 HB3 PHE 5 HB1 PHE 5 52.431 21.761 4.999 28 HD1 PHE 5 HD1 PHE 5 52.569 20.493 1.561 29 HD2 PHE 5 HD2 PHE 5 53.293 19.525 5.704 30 HE1 PHE 5 HE1 PHE 5 53.940 18.531 0.864 31 HE2 PHE 5 HE2 PHE 5 54.663 17.564 5.007 32 HZ PHE 5 HZ PHE 5 54.930 17.030 2.588 33 H PHE 6 HN PHE 6 49.495 18.577 4.469 34 HA PHE 6 HA PHE 6 50.873 17.479 6.704 35 HB2 PHE 6 HB2 PHE 6 49.434 19.114 7.905 36 HB3 PHE 6 HB1 PHE 6 48.012 18.327 7.221 37 HD1 PHE 6 HD1 PHE 6 50.923 17.885 9.490 38 HD2 PHE 6 HD2 PHE 6 47.230 16.184 8.041 39 HE1 PHE 6 HE1 PHE 6 50.991 16.185 11.311 40 HE2 PHE 6 HE2 PHE 6 47.299 14.485 9.863 41 HZ PHE 6 HZ PHE 6 49.175 14.489 11.502 42 H ARG 7 HN ARG 7 47.725 17.452 5.036 43 HA ARG 7 HA ARG 7 48.150 14.858 3.942 44 HB2 ARG 7 HB2 ARG 7 47.647 14.359 6.395 45 HB3 ARG 7 HB1 ARG 7 46.018 14.959 6.084 46 HG2 ARG 7 HG2 ARG 7 45.880 13.293 4.174 47 HG3 ARG 7 HG1 ARG 7 47.394 12.607 4.760 48 HD2 ARG 7 HD2 ARG 7 45.628 11.310 5.742 49 HD3 ARG 7 HD1 ARG 7 46.271 12.337 7.023 50 HE ARG 7 HE ARG 7 44.067 13.635 5.689 51 HH11 ARG 7 HH11 ARG 7 42.618 14.226 7.427 52 HH12 ARG 7 HH12 ARG 7 42.133 12.968 8.514 53 HH21 ARG 7 HH21 ARG 7 44.438 10.675 7.308 54 HH22 ARG 7 HH22 ARG 7 43.165 10.957 8.448 55 H ARG 8 HN ARG 8 47.587 16.927 2.509 56 HA ARG 8 HA ARG 8 44.837 16.504 1.588 57 HB2 ARG 8 HB2 ARG 8 45.913 19.240 2.327 58 HB3 ARG 8 HB1 ARG 8 44.400 18.938 1.473 59 HG2 ARG 8 HG2 ARG 8 43.715 17.486 3.454 60 HG3 ARG 8 HG1 ARG 8 45.117 18.138 4.304 61 HD2 ARG 8 HD2 ARG 8 44.265 20.413 4.035 62 HD3 ARG 8 HD1 ARG 8 42.898 19.814 3.095 63 HE ARG 8 HE ARG 8 41.847 19.347 5.141 64 HH11 ARG 8 HH11 ARG 8 43.948 21.055 6.541 65 HH12 ARG 8 HH12 ARG 8 44.505 19.963 7.766 66 HH21 ARG 8 HH21 ARG 8 43.132 17.157 6.263 67 HH22 ARG 8 HH22 ARG 8 44.043 17.756 7.608 68 H ALA 9 HN ALA 9 48.043 17.865 1.151 69 HA ALA 9 HA ALA 9 47.791 18.783 -1.492 70 HB1 ALA 9 HB1 ALA 9 49.722 19.183 0.077 71 HB2 ALA 9 HB2 ALA 9 50.178 18.750 -1.571 72 HB3 ALA 9 HB3 ALA 9 50.263 17.545 -0.285 73 H ALA 10 HN ALA 10 46.968 17.568 -3.082 74 HA ALA 10 HA ALA 10 46.617 15.807 -4.516 75 HB1 ALA 10 HB1 ALA 10 49.501 15.293 -3.778 76 HB2 ALA 10 HB2 ALA 10 48.914 16.262 -5.130 77 HB3 ALA 10 HB3 ALA 10 48.652 14.518 -5.114 78 H HIS 11 HN HIS 11 46.321 15.457 -1.485 79 HA HIS 11 HA HIS 11 45.732 13.789 -0.017 80 HB2 HIS 11 HB2 HIS 11 45.294 12.141 -2.515 81 HB3 HIS 11 HB1 HIS 11 44.526 11.926 -0.943 82 HD1 HIS 11 HD1 HIS 11 42.756 13.733 -0.219 83 HD2 HIS 11 HD2 HIS 11 44.113 14.105 -4.143 84 HE1 HIS 11 HE1 HIS 11 41.184 15.350 -1.372 85 H VAL 12 HN VAL 12 48.221 13.889 0.286 86 HA VAL 12 HA VAL 12 49.764 11.669 -0.675 87 HB VAL 12 HB VAL 12 50.868 13.769 -0.045 88 HG11 VAL 12 HG11 VAL 12 50.011 13.112 2.790 89 HG12 VAL 12 HG12 VAL 12 49.268 14.355 1.784 90 HG13 VAL 12 HG13 VAL 12 50.956 14.508 2.273 91 HG21 VAL 12 HG21 VAL 12 52.012 11.501 0.228 92 HG22 VAL 12 HG22 VAL 12 51.661 11.630 1.952 93 HG23 VAL 12 HG23 VAL 12 52.703 12.819 1.172 94 H GLY 13 HN GLY 13 50.655 9.968 0.638 95 HA2 GLY 13 HA1 GLY 13 50.649 8.375 2.307 96 HA3 GLY 13 HA2 GLY 13 49.563 9.396 3.238 97 H ARG 14 HN ARG 14 47.392 9.653 1.637 98 HA ARG 14 HA ARG 14 46.149 7.071 1.901 99 HB2 ARG 14 HB2 ARG 14 45.042 9.576 0.615 100 HB3 ARG 14 HB1 ARG 14 44.122 8.193 1.210 101 HG2 ARG 14 HG2 ARG 14 45.085 8.643 3.500 102 HG3 ARG 14 HG1 ARG 14 45.764 10.137 2.854 103 HD2 ARG 14 HD2 ARG 14 42.838 9.383 3.036 104 HD3 ARG 14 HD1 ARG 14 43.656 10.702 3.872 105 HE ARG 14 HE ARG 14 44.060 11.211 1.157 106 HH11 ARG 14 HH11 ARG 14 42.415 12.873 3.150 107 HH12 ARG 14 HH12 ARG 14 40.892 12.946 2.328 108 HH21 ARG 14 HH21 ARG 14 41.650 10.365 0.139 109 HH22 ARG 14 HH22 ARG 14 40.459 11.526 0.622 110 H HIS 15 HN HIS 15 48.349 7.196 -0.009 111 HA HIS 15 HA HIS 15 47.473 7.315 -2.679 112 HB2 HIS 15 HB2 HIS 15 49.633 5.511 -1.567 113 HB3 HIS 15 HB1 HIS 15 49.482 6.087 -3.227 114 HD1 HIS 15 HD1 HIS 15 51.765 6.698 -0.880 115 HD2 HIS 15 HD2 HIS 15 48.992 9.297 -2.591 116 HE1 HIS 15 HE1 HIS 15 52.660 9.040 -0.519 117 H VAL 16 HN VAL 16 45.413 6.298 -2.737 118 HA VAL 16 HA VAL 16 43.950 4.556 -3.050 119 HB VAL 16 HB VAL 16 46.404 2.912 -3.737 120 HG11 VAL 16 HG11 VAL 16 43.553 2.860 -4.777 121 HG12 VAL 16 HG12 VAL 16 44.205 1.743 -3.579 122 HG13 VAL 16 HG13 VAL 16 44.847 1.747 -5.222 123 HG21 VAL 16 HG21 VAL 16 46.596 4.980 -4.974 124 HG22 VAL 16 HG22 VAL 16 44.882 4.951 -5.387 125 HG23 VAL 16 HG23 VAL 16 45.977 3.756 -6.082 126 H GLY 17 HN GLY 17 43.936 4.743 -0.565 127 HA2 GLY 17 HA1 GLY 17 43.871 3.740 1.498 128 HA3 GLY 17 HA2 GLY 17 43.557 2.272 0.585 129 H ARG 18 HN ARG 18 46.449 4.330 0.854 130 HA ARG 18 HA ARG 18 48.640 3.794 1.301 131 HB2 ARG 18 HB2 ARG 18 47.286 1.898 3.235 132 HB3 ARG 18 HB1 ARG 18 48.990 2.350 3.278 133 HG2 ARG 18 HG2 ARG 18 48.416 4.682 3.658 134 HG3 ARG 18 HG1 ARG 18 46.699 4.327 3.461 135 HD2 ARG 18 HD2 ARG 18 46.796 2.824 5.429 136 HD3 ARG 18 HD1 ARG 18 48.500 3.227 5.640 137 HE ARG 18 HE ARG 18 46.278 4.862 6.480 138 HH11 ARG 18 HH11 ARG 18 47.397 6.712 4.503 139 HH12 ARG 18 HH12 ARG 18 48.670 7.502 5.372 140 HH21 ARG 18 HH21 ARG 18 48.807 5.112 7.879 141 HH22 ARG 18 HH22 ARG 18 49.470 6.597 7.281 142 H ALA 19 HN ALA 19 48.754 2.870 -0.896 143 HA ALA 19 HA ALA 19 48.347 0.208 -1.567 144 HB1 ALA 19 HB1 ALA 19 48.921 1.952 -3.195 145 HB2 ALA 19 HB2 ALA 19 49.999 0.563 -3.338 146 HB3 ALA 19 HB3 ALA 19 50.554 2.032 -2.532 147 H ALA 20 HN ALA 20 49.859 -1.558 -1.804 148 HA ALA 20 HA ALA 20 51.378 -2.013 0.572 149 HB1 ALA 20 HB1 ALA 20 51.451 -3.625 -1.977 150 HB2 ALA 20 HB2 ALA 20 50.173 -3.769 -0.770 151 HB3 ALA 20 HB3 ALA 20 51.838 -4.172 -0.346 152 H LEU 21 HN LEU 21 53.626 -3.363 -0.287 153 HA LEU 21 HA LEU 21 55.449 -1.194 -0.726 154 HB2 LEU 21 HB2 LEU 21 55.764 -4.192 -0.509 155 HB3 LEU 21 HB1 LEU 21 57.133 -3.143 -0.876 156 HG LEU 21 HG LEU 21 56.816 -1.917 1.201 157 HD11 LEU 21 HD11 LEU 21 54.319 -3.616 1.414 158 HD12 LEU 21 HD12 LEU 21 54.467 -1.862 1.533 159 HD13 LEU 21 HD13 LEU 21 55.054 -2.884 2.841 160 HD21 LEU 21 HD21 LEU 21 56.661 -4.913 1.665 161 HD22 LEU 21 HD22 LEU 21 57.305 -3.726 2.798 162 HD23 LEU 21 HD23 LEU 21 58.127 -4.019 1.265 163 H THR 22 HN THR 22 54.322 -0.556 -2.798 164 HA THR 22 HA THR 22 54.391 -2.062 -5.143 165 HB THR 22 HB THR 22 53.169 -0.018 -5.217 166 HG1 THR 22 HG1 THR 22 55.535 0.568 -6.644 167 HG21 THR 22 HG21 THR 22 54.238 1.232 -3.469 168 HG22 THR 22 HG22 THR 22 54.388 2.190 -4.942 169 HG23 THR 22 HG23 THR 22 55.767 1.265 -4.346 170 H HIS 23 HN HIS 23 55.797 -1.300 -7.100 171 HA HIS 23 HA HIS 23 58.487 -2.073 -6.526 172 HB2 HIS 23 HB2 HIS 23 57.423 -0.857 -9.083 173 HB3 HIS 23 HB1 HIS 23 58.858 -1.867 -8.895 174 HD1 HIS 23 HD1 HIS 23 58.480 -4.414 -8.427 175 HD2 HIS 23 HD2 HIS 23 54.958 -2.279 -9.064 176 HE1 HIS 23 HE1 HIS 23 56.661 -6.132 -8.817 177 H TYR 24 HN TYR 24 59.588 -0.209 -8.595 178 HA TYR 24 HA TYR 24 60.803 1.728 -8.658 179 HB2 TYR 24 HB2 TYR 24 58.457 2.688 -8.567 180 HB3 TYR 24 HB1 TYR 24 58.688 2.886 -6.831 181 HD1 TYR 24 HD1 TYR 24 59.534 4.162 -10.154 182 HD2 TYR 24 HD2 TYR 24 60.515 4.371 -5.957 183 HE1 TYR 24 HE1 TYR 24 60.776 6.286 -10.551 184 HE2 TYR 24 HE2 TYR 24 61.755 6.496 -6.352 185 HH TYR 24 HH TYR 24 62.313 8.059 -7.856 186 H LEU 25 HN LEU 25 59.468 2.105 -5.380 187 HA LEU 25 HA LEU 25 61.776 2.957 -4.136 188 HB2 LEU 25 HB2 LEU 25 59.674 1.169 -2.895 189 HB3 LEU 25 HB1 LEU 25 60.770 2.242 -2.031 190 HG LEU 25 HG LEU 25 58.824 3.264 -4.121 191 HD11 LEU 25 HD11 LEU 25 57.345 3.890 -2.236 192 HD12 LEU 25 HD12 LEU 25 58.419 3.043 -1.123 193 HD13 LEU 25 HD13 LEU 25 57.537 2.140 -2.356 194 HD21 LEU 25 HD21 LEU 25 59.134 5.382 -2.718 195 HD22 LEU 25 HD22 LEU 25 60.544 4.871 -3.635 196 HD23 LEU 25 HD23 LEU 25 60.456 4.548 -1.905 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 38.030 19.682 2.253 2 H2 GLY 1 HT2 GLY 1 38.116 18.330 3.278 3 H3 GLY 1 HT3 GLY 1 39.392 18.676 2.209 4 HA2 GLY 1 HA1 GLY 1 40.302 19.544 4.009 5 HA3 GLY 1 HA2 GLY 1 39.342 20.927 3.502 6 H TRP 2 HN TRP 2 40.179 19.247 6.126 7 HA TRP 2 HA TRP 2 38.043 20.298 7.717 8 HB2 TRP 2 HB2 TRP 2 36.927 18.283 6.798 9 HB3 TRP 2 HB1 TRP 2 38.216 17.285 7.471 10 HD1 TRP 2 HD1 TRP 2 35.599 19.861 8.689 11 HE1 TRP 2 HE1 TRP 2 34.873 19.205 11.074 12 HE3 TRP 2 HE3 TRP 2 38.687 15.853 9.472 13 HZ2 TRP 2 HZ2 TRP 2 35.513 17.235 13.067 14 HZ3 TRP 2 HZ3 TRP 2 38.612 14.601 11.622 15 HH2 TRP 2 HH2 TRP 2 37.030 15.288 13.419 16 H GLY 3 HN GLY 3 40.592 20.910 7.989 17 HA2 GLY 3 HA1 GLY 3 42.151 21.133 9.670 18 HA3 GLY 3 HA2 GLY 3 41.250 19.954 10.613 19 H SER 4 HN SER 4 41.300 17.783 8.864 20 HA SER 4 HA SER 4 43.946 16.779 9.359 21 HB2 SER 4 HB2 SER 4 41.715 15.520 7.750 22 HB3 SER 4 HB1 SER 4 43.119 14.700 8.429 23 HG SER 4 HG SER 4 41.441 14.427 9.851 24 H PHE 5 HN PHE 5 44.906 15.400 7.428 25 HA PHE 5 HA PHE 5 45.835 17.285 5.499 26 HB2 PHE 5 HB2 PHE 5 47.053 15.368 4.546 27 HB3 PHE 5 HB1 PHE 5 47.242 15.439 6.298 28 HD1 PHE 5 HD1 PHE 5 45.989 13.877 7.779 29 HD2 PHE 5 HD2 PHE 5 45.820 13.565 3.476 30 HE1 PHE 5 HE1 PHE 5 45.040 11.582 7.981 31 HE2 PHE 5 HE2 PHE 5 44.871 11.271 3.680 32 HZ PHE 5 HZ PHE 5 44.479 10.279 5.933 33 H PHE 6 HN PHE 6 45.448 17.385 3.281 34 HA PHE 6 HA PHE 6 43.605 15.609 1.967 35 HB2 PHE 6 HB2 PHE 6 42.072 17.064 3.322 36 HB3 PHE 6 HB1 PHE 6 42.682 18.455 2.426 37 HD1 PHE 6 HD1 PHE 6 42.150 18.781 0.058 38 HD2 PHE 6 HD2 PHE 6 40.709 15.335 2.219 39 HE1 PHE 6 HE1 PHE 6 40.560 18.284 -1.796 40 HE2 PHE 6 HE2 PHE 6 39.118 14.837 0.365 41 HZ PHE 6 HZ PHE 6 39.108 16.261 -1.679 42 H ARG 7 HN ARG 7 44.876 18.942 1.872 43 HA ARG 7 HA ARG 7 46.410 18.448 -0.481 44 HB2 ARG 7 HB2 ARG 7 44.029 18.571 -1.380 45 HB3 ARG 7 HB1 ARG 7 44.029 20.266 -0.897 46 HG2 ARG 7 HG2 ARG 7 46.098 20.597 -2.285 47 HG3 ARG 7 HG1 ARG 7 45.922 18.938 -2.858 48 HD2 ARG 7 HD2 ARG 7 43.964 21.218 -3.239 49 HD3 ARG 7 HD1 ARG 7 44.891 20.390 -4.492 50 HE ARG 7 HE ARG 7 42.418 19.437 -3.291 51 HH11 ARG 7 HH11 ARG 7 42.917 18.843 -6.082 52 HH12 ARG 7 HH12 ARG 7 43.446 17.194 -6.071 53 HH21 ARG 7 HH21 ARG 7 44.180 17.176 -2.682 54 HH22 ARG 7 HH22 ARG 7 44.162 16.249 -4.146 55 H ARG 8 HN ARG 8 47.506 19.366 1.629 56 HA ARG 8 HA ARG 8 47.292 22.107 2.255 57 HB2 ARG 8 HB2 ARG 8 49.813 20.450 2.451 58 HB3 ARG 8 HB1 ARG 8 49.363 21.847 3.427 59 HG2 ARG 8 HG2 ARG 8 47.923 19.176 3.396 60 HG3 ARG 8 HG1 ARG 8 48.990 19.754 4.673 61 HD2 ARG 8 HD2 ARG 8 46.867 20.307 5.513 62 HD3 ARG 8 HD1 ARG 8 47.357 21.818 4.749 63 HE ARG 8 HE ARG 8 45.985 20.286 2.797 64 HH11 ARG 8 HH11 ARG 8 44.200 21.742 2.222 65 HH12 ARG 8 HH12 ARG 8 43.080 22.114 3.490 66 HH21 ARG 8 HH21 ARG 8 45.077 20.798 6.001 67 HH22 ARG 8 HH22 ARG 8 43.577 21.580 5.631 68 H ALA 9 HN ALA 9 49.835 20.485 0.333 69 HA ALA 9 HA ALA 9 49.802 22.500 -1.698 70 HB1 ALA 9 HB1 ALA 9 50.915 23.796 0.042 71 HB2 ALA 9 HB2 ALA 9 52.045 23.415 -1.257 72 HB3 ALA 9 HB3 ALA 9 52.105 22.514 0.258 73 H ALA 10 HN ALA 10 52.309 20.481 -0.149 74 HA ALA 10 HA ALA 10 52.271 18.539 -2.269 75 HB1 ALA 10 HB1 ALA 10 54.675 20.359 -2.078 76 HB2 ALA 10 HB2 ALA 10 53.467 20.419 -3.362 77 HB3 ALA 10 HB3 ALA 10 54.478 18.986 -3.167 78 H HIS 11 HN HIS 11 52.051 17.118 -0.520 79 HA HIS 11 HA HIS 11 54.540 16.224 0.625 80 HB2 HIS 11 HB2 HIS 11 53.898 18.087 2.163 81 HB3 HIS 11 HB1 HIS 11 52.400 17.225 2.517 82 HD1 HIS 11 HD1 HIS 11 52.600 14.963 3.827 83 HD2 HIS 11 HD2 HIS 11 56.180 17.063 3.453 84 HE1 HIS 11 HE1 HIS 11 54.239 13.875 5.422 85 H VAL 12 HN VAL 12 50.995 16.081 0.770 86 HA VAL 12 HA VAL 12 50.830 13.430 1.757 87 HB VAL 12 HB VAL 12 48.904 14.957 1.849 88 HG11 VAL 12 HG11 VAL 12 48.796 14.647 -1.166 89 HG12 VAL 12 HG12 VAL 12 49.388 16.083 -0.333 90 HG13 VAL 12 HG13 VAL 12 47.702 15.597 -0.163 91 HG21 VAL 12 HG21 VAL 12 48.617 12.429 1.700 92 HG22 VAL 12 HG22 VAL 12 48.248 12.652 -0.010 93 HG23 VAL 12 HG23 VAL 12 47.210 13.375 1.219 94 H GLY 13 HN GLY 13 50.729 11.478 0.737 95 HA2 GLY 13 HA1 GLY 13 50.741 9.930 -0.976 96 HA3 GLY 13 HA2 GLY 13 50.495 11.238 -2.126 97 H ARG 14 HN ARG 14 52.645 12.836 -1.773 98 HA ARG 14 HA ARG 14 54.728 11.342 -3.055 99 HB2 ARG 14 HB2 ARG 14 54.737 14.175 -1.987 100 HB3 ARG 14 HB1 ARG 14 55.940 13.478 -3.072 101 HG2 ARG 14 HG2 ARG 14 54.218 13.096 -4.775 102 HG3 ARG 14 HG1 ARG 14 52.982 13.730 -3.689 103 HD2 ARG 14 HD2 ARG 14 53.665 15.477 -5.259 104 HD3 ARG 14 HD1 ARG 14 54.189 15.906 -3.631 105 HE ARG 14 HE ARG 14 56.257 14.463 -5.048 106 HH11 ARG 14 HH11 ARG 14 56.042 17.131 -3.304 107 HH12 ARG 14 HH12 ARG 14 56.808 18.223 -4.409 108 HH21 ARG 14 HH21 ARG 14 56.665 16.030 -7.090 109 HH22 ARG 14 HH22 ARG 14 57.159 17.602 -6.552 110 H HIS 15 HN HIS 15 54.843 9.798 -1.137 111 HA HIS 15 HA HIS 15 55.991 10.584 1.320 112 HB2 HIS 15 HB2 HIS 15 56.302 7.904 -0.048 113 HB3 HIS 15 HB1 HIS 15 56.423 8.239 1.679 114 HD1 HIS 15 HD1 HIS 15 54.077 7.029 -0.728 115 HD2 HIS 15 HD2 HIS 15 53.779 9.503 2.614 116 HE1 HIS 15 HE1 HIS 15 51.634 7.039 -0.061 117 H VAL 16 HN VAL 16 58.182 8.657 1.382 118 HA VAL 16 HA VAL 16 60.330 10.388 0.761 119 HB VAL 16 HB VAL 16 61.793 8.481 1.290 120 HG11 VAL 16 HG11 VAL 16 60.887 7.994 3.562 121 HG12 VAL 16 HG12 VAL 16 59.350 8.707 3.075 122 HG13 VAL 16 HG13 VAL 16 60.799 9.708 3.159 123 HG21 VAL 16 HG21 VAL 16 60.639 6.298 1.907 124 HG22 VAL 16 HG22 VAL 16 60.650 6.671 0.183 125 HG23 VAL 16 HG23 VAL 16 59.189 6.936 1.133 126 H GLY 17 HN GLY 17 58.468 8.366 -1.215 127 HA2 GLY 17 HA1 GLY 17 59.955 9.013 -3.547 128 HA3 GLY 17 HA2 GLY 17 60.251 7.345 -3.074 129 H ARG 18 HN ARG 18 57.294 9.312 -2.904 130 HA ARG 18 HA ARG 18 55.173 8.921 -3.694 131 HB2 ARG 18 HB2 ARG 18 56.611 7.570 -5.988 132 HB3 ARG 18 HB1 ARG 18 54.991 8.266 -6.011 133 HG2 ARG 18 HG2 ARG 18 56.001 10.494 -5.465 134 HG3 ARG 18 HG1 ARG 18 57.598 9.762 -5.630 135 HD2 ARG 18 HD2 ARG 18 57.041 10.811 -7.739 136 HD3 ARG 18 HD1 ARG 18 56.958 9.063 -7.962 137 HE ARG 18 HE ARG 18 54.683 9.347 -8.469 138 HH11 ARG 18 HH11 ARG 18 54.961 12.238 -9.008 139 HH12 ARG 18 HH12 ARG 18 53.849 12.950 -7.886 140 HH21 ARG 18 HH21 ARG 18 53.614 10.110 -5.909 141 HH22 ARG 18 HH22 ARG 18 53.086 11.745 -6.132 142 H ALA 19 HN ALA 19 55.433 7.283 -1.758 143 HA ALA 19 HA ALA 19 54.908 5.235 -0.857 144 HB1 ALA 19 HB1 ALA 19 53.388 4.826 -3.431 145 HB2 ALA 19 HB2 ALA 19 52.808 5.839 -2.109 146 HB3 ALA 19 HB3 ALA 19 53.049 4.111 -1.855 147 H ALA 20 HN ALA 20 54.478 2.746 -1.915 148 HA ALA 20 HA ALA 20 56.403 1.970 -3.867 149 HB1 ALA 20 HB1 ALA 20 58.047 0.917 -2.471 150 HB2 ALA 20 HB2 ALA 20 57.129 1.301 -1.014 151 HB3 ALA 20 HB3 ALA 20 57.891 2.592 -1.943 152 H LEU 21 HN LEU 21 56.932 -0.568 -2.307 153 HA LEU 21 HA LEU 21 54.758 -2.081 -3.310 154 HB2 LEU 21 HB2 LEU 21 56.637 -3.007 -1.131 155 HB3 LEU 21 HB1 LEU 21 55.837 -3.975 -2.369 156 HG LEU 21 HG LEU 21 58.034 -1.932 -2.812 157 HD11 LEU 21 HD11 LEU 21 59.374 -3.834 -3.458 158 HD12 LEU 21 HD12 LEU 21 57.984 -4.913 -3.347 159 HD13 LEU 21 HD13 LEU 21 58.661 -4.194 -1.886 160 HD21 LEU 21 HD21 LEU 21 57.884 -2.875 -5.209 161 HD22 LEU 21 HD22 LEU 21 56.613 -1.758 -4.721 162 HD23 LEU 21 HD23 LEU 21 56.298 -3.495 -4.744 163 H THR 22 HN THR 22 52.779 -1.521 -2.528 164 HA THR 22 HA THR 22 52.056 -2.470 0.076 165 HB THR 22 HB THR 22 51.791 0.517 -0.365 166 HG1 THR 22 HG1 THR 22 53.791 0.501 0.262 167 HG21 THR 22 HG21 THR 22 50.032 -0.430 1.026 168 HG22 THR 22 HG22 THR 22 51.159 0.459 2.050 169 HG23 THR 22 HG23 THR 22 51.223 -1.302 1.990 170 H HIS 23 HN HIS 23 50.700 -3.672 -1.404 171 HA HIS 23 HA HIS 23 48.101 -2.499 -1.687 172 HB2 HIS 23 HB2 HIS 23 47.976 -2.822 -4.177 173 HB3 HIS 23 HB1 HIS 23 49.020 -1.491 -3.672 174 HD1 HIS 23 HD1 HIS 23 51.648 -2.000 -3.670 175 HD2 HIS 23 HD2 HIS 23 49.297 -4.895 -5.530 176 HE1 HIS 23 HE1 HIS 23 53.218 -3.401 -5.078 177 H TYR 24 HN TYR 24 46.521 -4.050 -2.514 178 HA TYR 24 HA TYR 24 47.053 -6.693 -1.551 179 HB2 TYR 24 HB2 TYR 24 44.679 -5.700 -3.148 180 HB3 TYR 24 HB1 TYR 24 44.752 -7.164 -2.167 181 HD1 TYR 24 HD1 TYR 24 45.021 -7.003 0.326 182 HD2 TYR 24 HD2 TYR 24 44.324 -3.531 -2.141 183 HE1 TYR 24 HE1 TYR 24 44.372 -5.698 2.347 184 HE2 TYR 24 HE2 TYR 24 43.674 -2.227 -0.121 185 HH TYR 24 HH TYR 24 43.147 -3.834 2.966 186 H LEU 25 HN LEU 25 45.203 -7.625 -3.911 187 HA LEU 25 HA LEU 25 45.520 -8.912 -5.781 188 HB2 LEU 25 HB2 LEU 25 45.738 -6.802 -6.909 189 HB3 LEU 25 HB1 LEU 25 47.391 -6.598 -6.340 190 HG LEU 25 HG LEU 25 48.180 -8.398 -7.744 191 HD11 LEU 25 HD11 LEU 25 46.470 -10.045 -7.612 192 HD12 LEU 25 HD12 LEU 25 46.462 -9.538 -9.299 193 HD13 LEU 25 HD13 LEU 25 45.233 -8.926 -8.190 194 HD21 LEU 25 HD21 LEU 25 46.203 -6.687 -9.284 195 HD22 LEU 25 HD22 LEU 25 47.587 -7.533 -9.975 196 HD23 LEU 25 HD23 LEU 25 47.840 -6.208 -8.838 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 44.004 26.556 7.949 2 H2 GLY 1 HT2 GLY 1 44.158 25.803 9.465 3 H3 GLY 1 HT3 GLY 1 43.757 24.886 8.092 4 HA2 GLY 1 HA1 GLY 1 45.911 24.401 8.203 5 HA3 GLY 1 HA2 GLY 1 45.966 25.847 7.205 6 H TRP 2 HN TRP 2 48.082 24.846 8.844 7 HA TRP 2 HA TRP 2 48.814 27.255 10.185 8 HB2 TRP 2 HB2 TRP 2 49.051 26.145 12.470 9 HB3 TRP 2 HB1 TRP 2 47.409 26.551 11.974 10 HD1 TRP 2 HD1 TRP 2 45.731 24.613 11.529 11 HE1 TRP 2 HE1 TRP 2 45.822 22.063 11.894 12 HE3 TRP 2 HE3 TRP 2 50.738 24.039 12.430 13 HZ2 TRP 2 HZ2 TRP 2 47.764 20.031 12.492 14 HZ3 TRP 2 HZ3 TRP 2 51.687 21.785 12.895 15 HH2 TRP 2 HH2 TRP 2 50.206 19.783 12.927 16 H GLY 3 HN GLY 3 49.383 24.148 8.974 17 HA2 GLY 3 HA1 GLY 3 52.168 24.551 8.726 18 HA3 GLY 3 HA2 GLY 3 51.850 23.437 10.048 19 H SER 4 HN SER 4 49.509 22.247 8.879 20 HA SER 4 HA SER 4 50.699 20.159 7.407 21 HB2 SER 4 HB2 SER 4 48.508 19.271 7.186 22 HB3 SER 4 HB1 SER 4 48.512 20.116 8.731 23 HG SER 4 HG SER 4 47.365 21.748 7.850 24 H PHE 5 HN PHE 5 50.331 19.541 5.194 25 HA PHE 5 HA PHE 5 50.832 21.607 3.340 26 HB2 PHE 5 HB2 PHE 5 49.874 18.772 2.876 27 HB3 PHE 5 HB1 PHE 5 50.497 19.848 1.624 28 HD1 PHE 5 HD1 PHE 5 51.352 17.889 4.647 29 HD2 PHE 5 HD2 PHE 5 52.869 20.425 1.500 30 HE1 PHE 5 HE1 PHE 5 53.682 17.238 5.245 31 HE2 PHE 5 HE2 PHE 5 55.199 19.773 2.099 32 HZ PHE 5 HZ PHE 5 55.603 18.155 3.949 33 H PHE 6 HN PHE 6 48.000 19.433 3.334 34 HA PHE 6 HA PHE 6 46.150 21.649 3.066 35 HB2 PHE 6 HB2 PHE 6 46.668 19.777 0.743 36 HB3 PHE 6 HB1 PHE 6 45.263 20.834 0.871 37 HD1 PHE 6 HD1 PHE 6 45.653 23.361 1.170 38 HD2 PHE 6 HD2 PHE 6 48.747 20.620 -0.077 39 HE1 PHE 6 HE1 PHE 6 46.986 25.269 0.279 40 HE2 PHE 6 HE2 PHE 6 50.077 22.528 -0.969 41 HZ PHE 6 HZ PHE 6 49.191 24.851 -0.803 42 H ARG 7 HN ARG 7 45.604 18.534 1.581 43 HA ARG 7 HA ARG 7 43.348 18.006 3.251 44 HB2 ARG 7 HB2 ARG 7 44.820 16.192 1.325 45 HB3 ARG 7 HB1 ARG 7 43.237 15.866 2.033 46 HG2 ARG 7 HG2 ARG 7 42.367 17.948 0.997 47 HG3 ARG 7 HG1 ARG 7 43.940 18.214 0.246 48 HD2 ARG 7 HD2 ARG 7 42.203 15.766 -0.190 49 HD3 ARG 7 HD1 ARG 7 42.342 17.120 -1.311 50 HE ARG 7 HE ARG 7 44.257 14.976 -1.020 51 HH11 ARG 7 HH11 ARG 7 43.549 17.291 -3.135 52 HH12 ARG 7 HH12 ARG 7 45.150 17.907 -3.373 53 HH21 ARG 7 HH21 ARG 7 46.486 16.222 -0.653 54 HH22 ARG 7 HH22 ARG 7 46.813 17.304 -1.966 55 H ARG 8 HN ARG 8 46.594 16.572 2.989 56 HA ARG 8 HA ARG 8 46.726 15.997 5.779 57 HB2 ARG 8 HB2 ARG 8 45.149 14.203 5.006 58 HB3 ARG 8 HB1 ARG 8 46.437 13.590 3.970 59 HG2 ARG 8 HG2 ARG 8 47.881 13.262 5.936 60 HG3 ARG 8 HG1 ARG 8 46.611 13.899 6.982 61 HD2 ARG 8 HD2 ARG 8 45.104 12.064 6.156 62 HD3 ARG 8 HD1 ARG 8 46.487 11.383 5.298 63 HE ARG 8 HE ARG 8 47.118 11.799 8.083 64 HH11 ARG 8 HH11 ARG 8 44.427 10.345 8.016 65 HH12 ARG 8 HH12 ARG 8 44.946 8.693 8.061 66 HH21 ARG 8 HH21 ARG 8 48.228 9.424 7.214 67 HH22 ARG 8 HH22 ARG 8 47.098 8.171 7.607 68 H ALA 9 HN ALA 9 47.892 15.442 2.515 69 HA ALA 9 HA ALA 9 50.613 15.950 3.315 70 HB1 ALA 9 HB1 ALA 9 50.329 13.551 3.923 71 HB2 ALA 9 HB2 ALA 9 51.544 13.813 2.672 72 HB3 ALA 9 HB3 ALA 9 49.947 13.206 2.236 73 H ALA 10 HN ALA 10 51.383 14.210 0.880 74 HA ALA 10 HA ALA 10 51.369 16.313 -1.027 75 HB1 ALA 10 HB1 ALA 10 53.111 14.597 -0.979 76 HB2 ALA 10 HB2 ALA 10 52.316 14.637 -2.553 77 HB3 ALA 10 HB3 ALA 10 51.921 13.365 -1.397 78 H HIS 11 HN HIS 11 49.778 13.115 -1.163 79 HA HIS 11 HA HIS 11 47.352 14.269 -2.254 80 HB2 HIS 11 HB2 HIS 11 49.121 12.493 -3.954 81 HB3 HIS 11 HB1 HIS 11 47.443 12.880 -4.330 82 HD1 HIS 11 HD1 HIS 11 46.919 15.525 -4.625 83 HD2 HIS 11 HD2 HIS 11 50.924 14.399 -4.852 84 HE1 HIS 11 HE1 HIS 11 48.154 17.474 -5.667 85 H VAL 12 HN VAL 12 47.005 13.169 -0.067 86 HA VAL 12 HA VAL 12 47.118 10.441 0.373 87 HB VAL 12 HB VAL 12 46.407 12.099 2.086 88 HG11 VAL 12 HG11 VAL 12 43.708 12.021 0.713 89 HG12 VAL 12 HG12 VAL 12 44.866 13.330 0.487 90 HG13 VAL 12 HG13 VAL 12 44.189 13.018 2.085 91 HG21 VAL 12 HG21 VAL 12 44.324 9.937 1.639 92 HG22 VAL 12 HG22 VAL 12 44.792 10.655 3.180 93 HG23 VAL 12 HG23 VAL 12 45.930 9.635 2.300 94 H GLY 13 HN GLY 13 45.606 8.736 0.133 95 HA2 GLY 13 HA1 GLY 13 43.889 7.547 -0.847 96 HA3 GLY 13 HA2 GLY 13 43.222 9.061 -1.444 97 H ARG 14 HN ARG 14 45.045 10.094 -3.062 98 HA ARG 14 HA ARG 14 45.212 8.135 -5.252 99 HB2 ARG 14 HB2 ARG 14 45.609 11.138 -5.206 100 HB3 ARG 14 HB1 ARG 14 45.669 10.124 -6.650 101 HG2 ARG 14 HG2 ARG 14 43.337 9.365 -6.157 102 HG3 ARG 14 HG1 ARG 14 43.287 10.505 -4.812 103 HD2 ARG 14 HD2 ARG 14 42.255 11.524 -6.778 104 HD3 ARG 14 HD1 ARG 14 43.764 12.359 -6.407 105 HE ARG 14 HE ARG 14 44.397 10.319 -8.251 106 HH11 ARG 14 HH11 ARG 14 44.753 13.374 -8.514 107 HH12 ARG 14 HH12 ARG 14 43.879 13.667 -9.980 108 HH21 ARG 14 HH21 ARG 14 42.275 10.592 -9.948 109 HH22 ARG 14 HH22 ARG 14 42.475 12.091 -10.791 110 H HIS 15 HN HIS 15 47.176 8.273 -6.661 111 HA HIS 15 HA HIS 15 49.424 7.870 -6.910 112 HB2 HIS 15 HB2 HIS 15 49.551 10.201 -4.983 113 HB3 HIS 15 HB1 HIS 15 50.925 9.573 -5.893 114 HD1 HIS 15 HD1 HIS 15 48.550 9.030 -8.288 115 HD2 HIS 15 HD2 HIS 15 50.120 12.570 -6.749 116 HE1 HIS 15 HE1 HIS 15 48.081 10.829 -10.007 117 H VAL 16 HN VAL 16 50.311 9.031 -3.796 118 HA VAL 16 HA VAL 16 51.592 6.667 -3.020 119 HB VAL 16 HB VAL 16 51.764 7.667 -0.781 120 HG11 VAL 16 HG11 VAL 16 52.047 9.683 -3.031 121 HG12 VAL 16 HG12 VAL 16 53.256 8.491 -2.551 122 HG13 VAL 16 HG13 VAL 16 52.826 9.803 -1.453 123 HG21 VAL 16 HG21 VAL 16 49.556 8.555 -0.451 124 HG22 VAL 16 HG22 VAL 16 49.678 9.566 -1.892 125 HG23 VAL 16 HG23 VAL 16 50.646 9.940 -0.465 126 H GLY 17 HN GLY 17 48.343 7.864 -2.295 127 HA2 GLY 17 HA1 GLY 17 47.624 6.011 -0.335 128 HA3 GLY 17 HA2 GLY 17 46.502 6.822 -1.417 129 H ARG 18 HN ARG 18 46.931 5.867 -3.837 130 HA ARG 18 HA ARG 18 45.820 3.272 -3.780 131 HB2 ARG 18 HB2 ARG 18 45.590 4.935 -5.656 132 HB3 ARG 18 HB1 ARG 18 47.253 4.560 -6.112 133 HG2 ARG 18 HG2 ARG 18 46.666 2.205 -6.432 134 HG3 ARG 18 HG1 ARG 18 45.015 2.525 -5.903 135 HD2 ARG 18 HD2 ARG 18 44.702 4.070 -7.801 136 HD3 ARG 18 HD1 ARG 18 46.353 3.750 -8.333 137 HE ARG 18 HE ARG 18 44.912 1.278 -8.093 138 HH11 ARG 18 HH11 ARG 18 42.815 2.621 -9.566 139 HH12 ARG 18 HH12 ARG 18 43.334 2.530 -11.216 140 HH21 ARG 18 HH21 ARG 18 46.628 1.801 -10.416 141 HH22 ARG 18 HH22 ARG 18 45.493 2.065 -11.698 142 H ALA 19 HN ALA 19 49.106 4.397 -4.569 143 HA ALA 19 HA ALA 19 50.202 1.853 -5.104 144 HB1 ALA 19 HB1 ALA 19 51.304 3.944 -5.751 145 HB2 ALA 19 HB2 ALA 19 52.373 2.944 -4.766 146 HB3 ALA 19 HB3 ALA 19 51.562 4.338 -4.050 147 H ALA 20 HN ALA 20 51.717 0.639 -3.784 148 HA ALA 20 HA ALA 20 51.974 1.050 -0.986 149 HB1 ALA 20 HB1 ALA 20 49.657 0.449 -0.846 150 HB2 ALA 20 HB2 ALA 20 50.601 -0.929 -0.281 151 HB3 ALA 20 HB3 ALA 20 49.900 -0.944 -1.900 152 H LEU 21 HN LEU 21 51.353 -2.009 -2.673 153 HA LEU 21 HA LEU 21 53.797 -3.163 -1.762 154 HB2 LEU 21 HB2 LEU 21 52.141 -4.192 -4.070 155 HB3 LEU 21 HB1 LEU 21 53.128 -5.113 -2.933 156 HG LEU 21 HG LEU 21 50.570 -3.615 -2.288 157 HD11 LEU 21 HD11 LEU 21 49.647 -5.837 -1.891 158 HD12 LEU 21 HD12 LEU 21 51.210 -6.580 -2.234 159 HD13 LEU 21 HD13 LEU 21 50.316 -5.772 -3.522 160 HD21 LEU 21 HD21 LEU 21 51.941 -3.449 -0.342 161 HD22 LEU 21 HD22 LEU 21 52.574 -5.083 -0.551 162 HD23 LEU 21 HD23 LEU 21 50.903 -4.840 -0.041 163 H THR 22 HN THR 22 53.265 -0.869 -4.068 164 HA THR 22 HA THR 22 54.891 -1.718 -6.224 165 HB THR 22 HB THR 22 55.070 0.744 -6.741 166 HG1 THR 22 HG1 THR 22 54.075 0.804 -4.169 167 HG21 THR 22 HG21 THR 22 52.341 -0.409 -6.107 168 HG22 THR 22 HG22 THR 22 53.210 -0.523 -7.638 169 HG23 THR 22 HG23 THR 22 52.601 1.037 -7.082 170 H HIS 23 HN HIS 23 55.791 1.046 -4.208 171 HA HIS 23 HA HIS 23 58.561 0.675 -4.593 172 HB2 HIS 23 HB2 HIS 23 58.810 2.355 -2.777 173 HB3 HIS 23 HB1 HIS 23 57.653 2.854 -4.010 174 HD1 HIS 23 HD1 HIS 23 57.850 1.628 -0.457 175 HD2 HIS 23 HD2 HIS 23 54.943 2.934 -3.143 176 HE1 HIS 23 HE1 HIS 23 55.743 2.005 0.896 177 H TYR 24 HN TYR 24 59.730 -0.963 -3.847 178 HA TYR 24 HA TYR 24 58.985 -2.759 -1.839 179 HB2 TYR 24 HB2 TYR 24 60.746 -3.164 -3.559 180 HB3 TYR 24 HB1 TYR 24 61.805 -2.057 -2.686 181 HD1 TYR 24 HD1 TYR 24 62.846 -2.688 -0.581 182 HD2 TYR 24 HD2 TYR 24 60.031 -5.315 -2.532 183 HE1 TYR 24 HE1 TYR 24 63.515 -4.539 0.947 184 HE2 TYR 24 HE2 TYR 24 60.699 -7.165 -1.003 185 HH TYR 24 HH TYR 24 62.337 -7.846 0.408 186 H LEU 25 HN LEU 25 59.779 -3.057 0.306 187 HA LEU 25 HA LEU 25 59.885 -0.641 1.836 188 HB2 LEU 25 HB2 LEU 25 60.610 -3.390 2.856 189 HB3 LEU 25 HB1 LEU 25 59.906 -2.042 3.749 190 HG LEU 25 HG LEU 25 58.557 -3.666 1.570 191 HD11 LEU 25 HD11 LEU 25 57.927 -3.349 4.521 192 HD12 LEU 25 HD12 LEU 25 58.745 -4.741 3.813 193 HD13 LEU 25 HD13 LEU 25 57.075 -4.384 3.376 194 HD21 LEU 25 HD21 LEU 25 57.714 -1.163 3.058 195 HD22 LEU 25 HD22 LEU 25 56.535 -2.250 2.322 196 HD23 LEU 25 HD23 LEU 25 57.733 -1.441 1.317 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 43.853 26.748 0.652 2 H2 GLY 1 HT2 GLY 1 43.569 27.957 1.813 3 H3 GLY 1 HT3 GLY 1 42.297 27.395 0.835 4 HA2 GLY 1 HA1 GLY 1 42.001 25.540 1.990 5 HA3 GLY 1 HA2 GLY 1 43.704 25.438 2.414 6 H TRP 2 HN TRP 2 43.015 24.977 4.586 7 HA TRP 2 HA TRP 2 42.895 27.346 6.213 8 HB2 TRP 2 HB2 TRP 2 40.490 27.023 5.527 9 HB3 TRP 2 HB1 TRP 2 40.524 25.469 6.358 10 HD1 TRP 2 HD1 TRP 2 41.013 29.223 7.074 11 HE1 TRP 2 HE1 TRP 2 40.442 29.664 9.549 12 HE3 TRP 2 HE3 TRP 2 40.188 24.421 8.648 13 HZ2 TRP 2 HZ2 TRP 2 39.725 28.178 11.901 14 HZ3 TRP 2 HZ3 TRP 2 39.561 23.958 11.012 15 HH2 TRP 2 HH2 TRP 2 39.329 25.829 12.639 16 H GLY 3 HN GLY 3 42.814 23.860 5.874 17 HA2 GLY 3 HA1 GLY 3 44.786 23.322 7.727 18 HA3 GLY 3 HA2 GLY 3 43.271 23.247 8.618 19 H SER 4 HN SER 4 44.397 22.162 5.406 20 HA SER 4 HA SER 4 44.171 19.396 6.032 21 HB2 SER 4 HB2 SER 4 41.756 19.956 5.997 22 HB3 SER 4 HB1 SER 4 41.933 20.546 4.348 23 HG SER 4 HG SER 4 41.556 18.530 3.862 24 H PHE 5 HN PHE 5 43.741 18.239 3.652 25 HA PHE 5 HA PHE 5 45.103 19.629 1.501 26 HB2 PHE 5 HB2 PHE 5 46.419 17.316 2.946 27 HB3 PHE 5 HB1 PHE 5 46.906 17.883 1.350 28 HD1 PHE 5 HD1 PHE 5 47.014 18.533 4.947 29 HD2 PHE 5 HD2 PHE 5 47.765 20.226 1.048 30 HE1 PHE 5 HE1 PHE 5 48.396 20.326 5.991 31 HE2 PHE 5 HE2 PHE 5 49.145 22.019 2.093 32 HZ PHE 5 HZ PHE 5 49.449 22.078 4.565 33 H PHE 6 HN PHE 6 45.327 18.183 -0.430 34 HA PHE 6 HA PHE 6 43.856 15.717 -0.507 35 HB2 PHE 6 HB2 PHE 6 42.094 16.572 -2.080 36 HB3 PHE 6 HB1 PHE 6 41.925 17.160 -0.426 37 HD1 PHE 6 HD1 PHE 6 42.439 19.490 0.163 38 HD2 PHE 6 HD2 PHE 6 42.829 18.058 -3.890 39 HE1 PHE 6 HE1 PHE 6 42.587 21.840 -0.654 40 HE2 PHE 6 HE2 PHE 6 42.975 20.409 -4.707 41 HZ PHE 6 HZ PHE 6 42.919 22.295 -3.081 42 H ARG 7 HN ARG 7 45.808 18.156 -1.871 43 HA ARG 7 HA ARG 7 45.849 17.264 -4.580 44 HB2 ARG 7 HB2 ARG 7 48.008 18.750 -3.067 45 HB3 ARG 7 HB1 ARG 7 47.804 18.675 -4.818 46 HG2 ARG 7 HG2 ARG 7 45.592 19.777 -4.591 47 HG3 ARG 7 HG1 ARG 7 45.849 19.901 -2.850 48 HD2 ARG 7 HD2 ARG 7 47.801 21.311 -3.186 49 HD3 ARG 7 HD1 ARG 7 47.700 21.095 -4.933 50 HE ARG 7 HE ARG 7 45.222 22.163 -4.094 51 HH11 ARG 7 HH11 ARG 7 47.710 23.427 -2.506 52 HH12 ARG 7 HH12 ARG 7 47.813 24.931 -3.359 53 HH21 ARG 7 HH21 ARG 7 45.711 23.922 -5.927 54 HH22 ARG 7 HH22 ARG 7 46.680 25.211 -5.295 55 H ARG 8 HN ARG 8 47.063 15.933 -1.716 56 HA ARG 8 HA ARG 8 48.512 14.209 -1.253 57 HB2 ARG 8 HB2 ARG 8 47.793 13.532 -4.114 58 HB3 ARG 8 HB1 ARG 8 48.662 12.450 -3.025 59 HG2 ARG 8 HG2 ARG 8 46.788 12.423 -1.475 60 HG3 ARG 8 HG1 ARG 8 45.932 13.630 -2.436 61 HD2 ARG 8 HD2 ARG 8 45.081 11.362 -2.909 62 HD3 ARG 8 HD1 ARG 8 45.845 12.060 -4.337 63 HE ARG 8 HE ARG 8 47.898 10.656 -3.126 64 HH11 ARG 8 HH11 ARG 8 45.564 8.951 -2.117 65 HH12 ARG 8 HH12 ARG 8 45.495 7.731 -3.344 66 HH21 ARG 8 HH21 ARG 8 47.439 9.512 -5.597 67 HH22 ARG 8 HH22 ARG 8 46.556 8.049 -5.315 68 H ALA 9 HN ALA 9 49.996 16.304 -1.458 69 HA ALA 9 HA ALA 9 51.881 16.319 -3.615 70 HB1 ALA 9 HB1 ALA 9 53.132 17.893 -2.142 71 HB2 ALA 9 HB2 ALA 9 51.937 17.596 -0.879 72 HB3 ALA 9 HB3 ALA 9 51.449 18.355 -2.395 73 H ALA 10 HN ALA 10 51.877 15.050 -0.309 74 HA ALA 10 HA ALA 10 53.847 13.057 -0.991 75 HB1 ALA 10 HB1 ALA 10 54.606 15.100 1.096 76 HB2 ALA 10 HB2 ALA 10 55.218 15.119 -0.557 77 HB3 ALA 10 HB3 ALA 10 55.581 13.758 0.503 78 H HIS 11 HN HIS 11 51.589 14.547 1.139 79 HA HIS 11 HA HIS 11 51.845 12.981 3.445 80 HB2 HIS 11 HB2 HIS 11 49.258 13.999 2.250 81 HB3 HIS 11 HB1 HIS 11 49.565 13.611 3.942 82 HD1 HIS 11 HD1 HIS 11 48.803 16.504 2.698 83 HD2 HIS 11 HD2 HIS 11 52.570 15.249 3.966 84 HE1 HIS 11 HE1 HIS 11 50.115 18.603 3.235 85 H VAL 12 HN VAL 12 49.387 12.524 0.898 86 HA VAL 12 HA VAL 12 48.321 10.645 0.129 87 HB VAL 12 HB VAL 12 50.910 9.256 0.887 88 HG11 VAL 12 HG11 VAL 12 48.610 8.531 -0.946 89 HG12 VAL 12 HG12 VAL 12 49.175 7.638 0.467 90 HG13 VAL 12 HG13 VAL 12 50.173 7.716 -0.985 91 HG21 VAL 12 HG21 VAL 12 50.025 10.604 -1.685 92 HG22 VAL 12 HG22 VAL 12 51.492 9.642 -1.505 93 HG23 VAL 12 HG23 VAL 12 51.314 11.153 -0.614 94 H GLY 13 HN GLY 13 50.281 8.981 2.574 95 HA2 GLY 13 HA1 GLY 13 48.246 8.862 4.549 96 HA3 GLY 13 HA2 GLY 13 48.234 7.401 3.573 97 H ARG 14 HN ARG 14 51.332 8.430 3.485 98 HA ARG 14 HA ARG 14 53.264 7.573 4.401 99 HB2 ARG 14 HB2 ARG 14 51.684 8.078 6.934 100 HB3 ARG 14 HB1 ARG 14 53.425 7.804 6.860 101 HG2 ARG 14 HG2 ARG 14 53.634 9.778 5.347 102 HG3 ARG 14 HG1 ARG 14 51.909 10.083 5.557 103 HD2 ARG 14 HD2 ARG 14 53.899 9.946 7.839 104 HD3 ARG 14 HD1 ARG 14 53.352 11.447 7.092 105 HE ARG 14 HE ARG 14 51.075 9.906 7.904 106 HH11 ARG 14 HH11 ARG 14 49.878 10.925 9.555 107 HH12 ARG 14 HH12 ARG 14 50.727 11.782 10.798 108 HH21 ARG 14 HH21 ARG 14 53.838 11.374 9.323 109 HH22 ARG 14 HH22 ARG 14 52.967 12.037 10.666 110 H HIS 15 HN HIS 15 52.145 5.502 3.368 111 HA HIS 15 HA HIS 15 51.120 3.481 5.029 112 HB2 HIS 15 HB2 HIS 15 51.052 3.463 2.533 113 HB3 HIS 15 HB1 HIS 15 52.777 3.102 2.524 114 HD1 HIS 15 HD1 HIS 15 51.428 1.464 5.393 115 HD2 HIS 15 HD2 HIS 15 51.365 0.613 1.315 116 HE1 HIS 15 HE1 HIS 15 50.936 -1.011 5.185 117 H VAL 16 HN VAL 16 54.305 3.142 3.496 118 HA VAL 16 HA VAL 16 55.281 1.609 5.751 119 HB VAL 16 HB VAL 16 57.385 1.464 4.433 120 HG11 VAL 16 HG11 VAL 16 56.380 0.258 2.475 121 HG12 VAL 16 HG12 VAL 16 54.808 0.913 2.933 122 HG13 VAL 16 HG13 VAL 16 55.653 -0.191 4.018 123 HG21 VAL 16 HG21 VAL 16 57.351 2.420 2.116 124 HG22 VAL 16 HG22 VAL 16 57.346 3.660 3.368 125 HG23 VAL 16 HG23 VAL 16 55.852 3.257 2.522 126 H GLY 17 HN GLY 17 54.567 4.289 6.416 127 HA2 GLY 17 HA1 GLY 17 55.445 5.808 7.933 128 HA3 GLY 17 HA2 GLY 17 57.047 5.142 7.655 129 H ARG 18 HN ARG 18 55.887 5.621 4.658 130 HA ARG 18 HA ARG 18 56.042 8.444 4.348 131 HB2 ARG 18 HB2 ARG 18 58.473 7.699 4.900 132 HB3 ARG 18 HB1 ARG 18 58.486 7.027 3.272 133 HG2 ARG 18 HG2 ARG 18 57.910 9.246 2.349 134 HG3 ARG 18 HG1 ARG 18 57.880 9.917 3.979 135 HD2 ARG 18 HD2 ARG 18 60.247 9.376 4.279 136 HD3 ARG 18 HD1 ARG 18 60.295 8.609 2.692 137 HE ARG 18 HE ARG 18 60.490 11.445 3.188 138 HH11 ARG 18 HH11 ARG 18 57.915 11.202 1.647 139 HH12 ARG 18 HH12 ARG 18 58.471 11.290 0.009 140 HH21 ARG 18 HH21 ARG 18 61.778 10.633 0.819 141 HH22 ARG 18 HH22 ARG 18 60.659 10.967 -0.460 142 H ALA 19 HN ALA 19 54.350 6.331 3.489 143 HA ALA 19 HA ALA 19 53.279 5.528 1.622 144 HB1 ALA 19 HB1 ALA 19 54.586 7.894 0.275 145 HB2 ALA 19 HB2 ALA 19 53.116 7.987 1.245 146 HB3 ALA 19 HB3 ALA 19 53.131 7.046 -0.247 147 H ALA 20 HN ALA 20 53.669 4.938 -0.803 148 HA ALA 20 HA ALA 20 56.377 4.436 -1.605 149 HB1 ALA 20 HB1 ALA 20 56.439 2.064 -1.365 150 HB2 ALA 20 HB2 ALA 20 54.753 2.008 -0.850 151 HB3 ALA 20 HB3 ALA 20 55.974 2.719 0.205 152 H LEU 21 HN LEU 21 55.052 1.807 -2.788 153 HA LEU 21 HA LEU 21 54.658 2.695 -5.377 154 HB2 LEU 21 HB2 LEU 21 53.120 0.373 -4.204 155 HB3 LEU 21 HB1 LEU 21 53.704 0.570 -5.856 156 HG LEU 21 HG LEU 21 55.383 0.129 -3.369 157 HD11 LEU 21 HD11 LEU 21 55.077 -1.498 -5.908 158 HD12 LEU 21 HD12 LEU 21 54.261 -1.857 -4.386 159 HD13 LEU 21 HD13 LEU 21 56.021 -1.941 -4.486 160 HD21 LEU 21 HD21 LEU 21 57.279 0.062 -5.118 161 HD22 LEU 21 HD22 LEU 21 56.654 1.653 -4.695 162 HD23 LEU 21 HD23 LEU 21 56.155 0.883 -6.201 163 H THR 22 HN THR 22 53.387 4.460 -5.710 164 HA THR 22 HA THR 22 50.869 4.895 -4.464 165 HB THR 22 HB THR 22 50.557 6.661 -6.169 166 HG1 THR 22 HG1 THR 22 52.981 6.436 -7.315 167 HG21 THR 22 HG21 THR 22 52.055 6.965 -4.149 168 HG22 THR 22 HG22 THR 22 52.415 8.033 -5.506 169 HG23 THR 22 HG23 THR 22 53.424 6.620 -5.204 170 H HIS 23 HN HIS 23 51.875 2.927 -7.078 171 HA HIS 23 HA HIS 23 49.177 1.957 -7.498 172 HB2 HIS 23 HB2 HIS 23 50.669 3.405 -9.698 173 HB3 HIS 23 HB1 HIS 23 49.295 2.339 -9.986 174 HD1 HIS 23 HD1 HIS 23 47.330 3.078 -7.868 175 HD2 HIS 23 HD2 HIS 23 49.658 5.970 -9.764 176 HE1 HIS 23 HE1 HIS 23 46.102 5.277 -7.597 177 H TYR 24 HN TYR 24 50.155 0.039 -6.717 178 HA TYR 24 HA TYR 24 52.452 -1.163 -7.828 179 HB2 TYR 24 HB2 TYR 24 51.610 -3.239 -6.775 180 HB3 TYR 24 HB1 TYR 24 51.538 -1.864 -5.674 181 HD1 TYR 24 HD1 TYR 24 49.395 -0.834 -5.055 182 HD2 TYR 24 HD2 TYR 24 49.572 -4.206 -7.743 183 HE1 TYR 24 HE1 TYR 24 46.941 -1.176 -4.787 184 HE2 TYR 24 HE2 TYR 24 47.118 -4.548 -7.475 185 HH TYR 24 HH TYR 24 45.152 -2.345 -5.470 186 H LEU 25 HN LEU 25 51.898 -3.661 -8.630 187 HA LEU 25 HA LEU 25 51.262 -3.395 -11.349 188 HB2 LEU 25 HB2 LEU 25 51.431 -5.773 -9.494 189 HB3 LEU 25 HB1 LEU 25 50.991 -5.972 -11.188 190 HG LEU 25 HG LEU 25 53.093 -4.822 -11.851 191 HD11 LEU 25 HD11 LEU 25 54.850 -4.660 -9.962 192 HD12 LEU 25 HD12 LEU 25 53.482 -4.737 -8.850 193 HD13 LEU 25 HD13 LEU 25 53.607 -3.412 -10.009 194 HD21 LEU 25 HD21 LEU 25 53.477 -7.173 -9.969 195 HD22 LEU 25 HD22 LEU 25 54.601 -6.676 -11.232 196 HD23 LEU 25 HD23 LEU 25 53.004 -7.285 -11.664 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 47.266 24.703 11.718 2 H2 GLY 1 HT2 GLY 1 48.710 23.815 11.851 3 H3 GLY 1 HT3 GLY 1 47.895 24.337 13.248 4 HA2 GLY 1 HA1 GLY 1 47.382 22.106 11.511 5 HA3 GLY 1 HA2 GLY 1 47.157 22.268 13.248 6 H TRP 2 HN TRP 2 45.923 24.598 10.944 7 HA TRP 2 HA TRP 2 43.312 23.485 10.695 8 HB2 TRP 2 HB2 TRP 2 43.299 24.133 13.119 9 HB3 TRP 2 HB1 TRP 2 43.551 25.806 12.625 10 HD1 TRP 2 HD1 TRP 2 41.446 27.158 12.172 11 HE1 TRP 2 HE1 TRP 2 38.964 26.620 11.723 12 HE3 TRP 2 HE3 TRP 2 41.692 22.051 11.933 13 HZ2 TRP 2 HZ2 TRP 2 37.289 24.319 11.313 14 HZ3 TRP 2 HZ3 TRP 2 39.640 20.705 11.513 15 HH2 TRP 2 HH2 TRP 2 37.441 21.833 11.203 16 H GLY 3 HN GLY 3 45.396 24.791 9.104 17 HA2 GLY 3 HA1 GLY 3 43.725 26.471 7.528 18 HA3 GLY 3 HA2 GLY 3 44.899 27.422 8.425 19 H SER 4 HN SER 4 46.991 25.437 8.348 20 HA SER 4 HA SER 4 48.186 26.138 5.863 21 HB2 SER 4 HB2 SER 4 49.463 25.674 7.953 22 HB3 SER 4 HB1 SER 4 49.027 23.973 7.805 23 HG SER 4 HG SER 4 50.853 24.000 6.700 24 H PHE 5 HN PHE 5 47.714 25.295 3.945 25 HA PHE 5 HA PHE 5 46.210 22.895 3.615 26 HB2 PHE 5 HB2 PHE 5 47.840 24.345 1.519 27 HB3 PHE 5 HB1 PHE 5 46.469 23.268 1.251 28 HD1 PHE 5 HD1 PHE 5 47.523 26.639 2.280 29 HD2 PHE 5 HD2 PHE 5 44.165 23.958 1.862 30 HE1 PHE 5 HE1 PHE 5 45.957 28.564 2.507 31 HE2 PHE 5 HE2 PHE 5 42.600 25.883 2.087 32 HZ PHE 5 HZ PHE 5 43.496 28.187 2.401 33 H PHE 6 HN PHE 6 46.849 20.870 2.925 34 HA PHE 6 HA PHE 6 49.511 20.223 2.147 35 HB2 PHE 6 HB2 PHE 6 49.820 20.666 4.610 36 HB3 PHE 6 HB1 PHE 6 48.736 19.311 4.926 37 HD1 PHE 6 HD1 PHE 6 52.026 20.307 3.540 38 HD2 PHE 6 HD2 PHE 6 49.426 17.007 4.527 39 HE1 PHE 6 HE1 PHE 6 53.928 18.722 3.252 40 HE2 PHE 6 HE2 PHE 6 51.328 15.423 4.241 41 HZ PHE 6 HZ PHE 6 53.598 16.292 3.692 42 H ARG 7 HN ARG 7 46.803 18.794 3.989 43 HA ARG 7 HA ARG 7 46.984 16.285 2.583 44 HB2 ARG 7 HB2 ARG 7 44.744 17.328 4.332 45 HB3 ARG 7 HB1 ARG 7 45.043 15.648 3.885 46 HG2 ARG 7 HG2 ARG 7 47.202 15.701 5.059 47 HG3 ARG 7 HG1 ARG 7 46.941 17.393 5.483 48 HD2 ARG 7 HD2 ARG 7 46.340 15.853 7.346 49 HD3 ARG 7 HD1 ARG 7 44.958 16.794 6.785 50 HE ARG 7 HE ARG 7 43.947 14.766 6.162 51 HH11 ARG 7 HH11 ARG 7 45.712 13.863 4.060 52 HH12 ARG 7 HH12 ARG 7 46.443 12.431 4.706 53 HH21 ARG 7 HH21 ARG 7 45.604 13.167 7.990 54 HH22 ARG 7 HH22 ARG 7 46.381 12.037 6.932 55 H ARG 8 HN ARG 8 46.728 18.391 0.751 56 HA ARG 8 HA ARG 8 44.451 17.488 -0.760 57 HB2 ARG 8 HB2 ARG 8 43.407 19.148 0.790 58 HB3 ARG 8 HB1 ARG 8 44.476 20.383 0.124 59 HG2 ARG 8 HG2 ARG 8 43.538 20.055 -2.104 60 HG3 ARG 8 HG1 ARG 8 42.541 18.723 -1.518 61 HD2 ARG 8 HD2 ARG 8 42.363 21.593 -0.550 62 HD3 ARG 8 HD1 ARG 8 41.243 20.830 -1.680 63 HE ARG 8 HE ARG 8 41.196 19.146 0.515 64 HH11 ARG 8 HH11 ARG 8 41.733 22.329 1.181 65 HH12 ARG 8 HH12 ARG 8 40.218 22.634 1.964 66 HH21 ARG 8 HH21 ARG 8 38.815 19.609 1.012 67 HH22 ARG 8 HH22 ARG 8 38.566 21.094 1.868 68 H ALA 9 HN ALA 9 47.213 19.580 -0.330 69 HA ALA 9 HA ALA 9 47.378 20.727 -2.882 70 HB1 ALA 9 HB1 ALA 9 49.544 19.919 -0.942 71 HB2 ALA 9 HB2 ALA 9 48.796 21.508 -1.107 72 HB3 ALA 9 HB3 ALA 9 49.828 20.880 -2.392 73 H ALA 10 HN ALA 10 49.335 17.974 -1.721 74 HA ALA 10 HA ALA 10 48.773 16.371 -4.028 75 HB1 ALA 10 HB1 ALA 10 51.567 17.495 -3.849 76 HB2 ALA 10 HB2 ALA 10 50.334 18.124 -4.943 77 HB3 ALA 10 HB3 ALA 10 50.901 16.462 -5.113 78 H HIS 11 HN HIS 11 50.820 17.075 -1.255 79 HA HIS 11 HA HIS 11 51.833 14.385 -1.010 80 HB2 HIS 11 HB2 HIS 11 51.824 16.675 0.970 81 HB3 HIS 11 HB1 HIS 11 52.749 15.182 1.130 82 HD1 HIS 11 HD1 HIS 11 52.469 16.517 -2.303 83 HD2 HIS 11 HD2 HIS 11 55.126 16.887 0.888 84 HE1 HIS 11 HE1 HIS 11 54.595 17.511 -3.254 85 H VAL 12 HN VAL 12 48.971 14.507 -1.176 86 HA VAL 12 HA VAL 12 47.618 14.381 1.256 87 HB VAL 12 HB VAL 12 45.989 12.901 0.092 88 HG11 VAL 12 HG11 VAL 12 46.028 15.393 -0.242 89 HG12 VAL 12 HG12 VAL 12 45.353 14.507 -1.610 90 HG13 VAL 12 HG13 VAL 12 46.999 15.136 -1.691 91 HG21 VAL 12 HG21 VAL 12 48.137 12.920 -2.050 92 HG22 VAL 12 HG22 VAL 12 46.480 12.386 -2.328 93 HG23 VAL 12 HG23 VAL 12 47.508 11.513 -1.192 94 H GLY 13 HN GLY 13 46.477 11.929 1.571 95 HA2 GLY 13 HA1 GLY 13 48.520 10.499 2.990 96 HA3 GLY 13 HA2 GLY 13 46.824 10.055 2.866 97 H ARG 14 HN ARG 14 49.658 10.309 0.709 98 HA ARG 14 HA ARG 14 48.771 8.323 -1.102 99 HB2 ARG 14 HB2 ARG 14 51.601 9.235 -0.522 100 HB3 ARG 14 HB1 ARG 14 51.066 8.361 -1.958 101 HG2 ARG 14 HG2 ARG 14 49.626 10.207 -2.610 102 HG3 ARG 14 HG1 ARG 14 49.991 11.066 -1.113 103 HD2 ARG 14 HD2 ARG 14 52.307 11.330 -1.751 104 HD3 ARG 14 HD1 ARG 14 52.088 10.288 -3.157 105 HE ARG 14 HE ARG 14 50.251 12.425 -3.411 106 HH11 ARG 14 HH11 ARG 14 51.028 13.158 -5.598 107 HH12 ARG 14 HH12 ARG 14 52.578 13.931 -5.588 108 HH21 ARG 14 HH21 ARG 14 53.389 12.862 -2.391 109 HH22 ARG 14 HH22 ARG 14 53.913 13.765 -3.773 110 H HIS 15 HN HIS 15 49.819 8.046 2.068 111 HA HIS 15 HA HIS 15 51.386 5.706 2.021 112 HB2 HIS 15 HB2 HIS 15 49.481 6.688 4.160 113 HB3 HIS 15 HB1 HIS 15 50.730 5.462 4.384 114 HD1 HIS 15 HD1 HIS 15 53.261 6.314 3.888 115 HD2 HIS 15 HD2 HIS 15 50.402 9.277 4.525 116 HE1 HIS 15 HE1 HIS 15 54.536 8.449 4.364 117 H VAL 16 HN VAL 16 48.165 6.154 1.149 118 HA VAL 16 HA VAL 16 47.021 3.715 2.061 119 HB VAL 16 HB VAL 16 45.662 5.649 1.262 120 HG11 VAL 16 HG11 VAL 16 45.493 6.170 -1.069 121 HG12 VAL 16 HG12 VAL 16 46.456 4.764 -1.524 122 HG13 VAL 16 HG13 VAL 16 47.217 6.124 -0.698 123 HG21 VAL 16 HG21 VAL 16 44.764 3.306 1.337 124 HG22 VAL 16 HG22 VAL 16 45.212 3.121 -0.359 125 HG23 VAL 16 HG23 VAL 16 43.991 4.306 0.107 126 H GLY 17 HN GLY 17 48.708 4.652 -0.909 127 HA2 GLY 17 HA1 GLY 17 50.002 2.366 -1.503 128 HA3 GLY 17 HA2 GLY 17 48.385 2.030 -2.109 129 H ARG 18 HN ARG 18 48.789 5.285 -2.344 130 HA ARG 18 HA ARG 18 49.034 5.200 -5.200 131 HB2 ARG 18 HB2 ARG 18 47.688 6.894 -3.920 132 HB3 ARG 18 HB1 ARG 18 49.207 7.623 -3.399 133 HG2 ARG 18 HG2 ARG 18 49.849 8.024 -5.726 134 HG3 ARG 18 HG1 ARG 18 48.382 7.224 -6.290 135 HD2 ARG 18 HD2 ARG 18 47.054 8.941 -4.998 136 HD3 ARG 18 HD1 ARG 18 48.567 9.796 -4.702 137 HE ARG 18 HE ARG 18 48.465 10.583 -6.917 138 HH11 ARG 18 HH11 ARG 18 45.510 10.141 -6.928 139 HH12 ARG 18 HH12 ARG 18 45.292 9.144 -8.328 140 HH21 ARG 18 HH21 ARG 18 48.640 8.264 -8.547 141 HH22 ARG 18 HH22 ARG 18 47.065 8.081 -9.244 142 H ALA 19 HN ALA 19 51.217 5.818 -2.530 143 HA ALA 19 HA ALA 19 53.298 7.109 -3.889 144 HB1 ALA 19 HB1 ALA 19 53.289 6.945 -1.479 145 HB2 ALA 19 HB2 ALA 19 54.753 6.182 -2.097 146 HB3 ALA 19 HB3 ALA 19 53.398 5.188 -1.561 147 H ALA 20 HN ALA 20 54.272 4.023 -2.684 148 HA ALA 20 HA ALA 20 54.294 2.584 -5.136 149 HB1 ALA 20 HB1 ALA 20 56.783 2.657 -5.473 150 HB2 ALA 20 HB2 ALA 20 56.833 4.011 -4.344 151 HB3 ALA 20 HB3 ALA 20 55.946 4.161 -5.861 152 H LEU 21 HN LEU 21 57.200 2.515 -3.254 153 HA LEU 21 HA LEU 21 58.109 0.835 -1.966 154 HB2 LEU 21 HB2 LEU 21 55.396 0.662 -0.651 155 HB3 LEU 21 HB1 LEU 21 56.988 0.463 0.082 156 HG LEU 21 HG LEU 21 55.807 3.039 -1.000 157 HD11 LEU 21 HD11 LEU 21 55.796 3.755 1.305 158 HD12 LEU 21 HD12 LEU 21 56.655 2.302 1.813 159 HD13 LEU 21 HD13 LEU 21 54.993 2.187 1.235 160 HD21 LEU 21 HD21 LEU 21 57.944 4.008 0.051 161 HD22 LEU 21 HD22 LEU 21 58.151 3.137 -1.466 162 HD23 LEU 21 HD23 LEU 21 58.563 2.357 0.062 163 H THR 22 HN THR 22 56.517 0.088 -4.434 164 HA THR 22 HA THR 22 55.067 -2.253 -4.145 165 HB THR 22 HB THR 22 55.719 -2.814 -6.433 166 HG1 THR 22 HG1 THR 22 57.360 -1.578 -7.425 167 HG21 THR 22 HG21 THR 22 55.398 0.160 -5.948 168 HG22 THR 22 HG22 THR 22 54.105 -1.014 -6.197 169 HG23 THR 22 HG23 THR 22 55.202 -0.618 -7.520 170 H HIS 23 HN HIS 23 55.924 -4.466 -4.976 171 HA HIS 23 HA HIS 23 58.614 -5.196 -4.383 172 HB2 HIS 23 HB2 HIS 23 58.162 -6.556 -2.368 173 HB3 HIS 23 HB1 HIS 23 57.894 -4.838 -2.073 174 HD1 HIS 23 HD1 HIS 23 55.093 -5.368 -3.946 175 HD2 HIS 23 HD2 HIS 23 56.140 -6.753 -0.158 176 HE1 HIS 23 HE1 HIS 23 52.932 -6.028 -2.803 177 H TYR 24 HN TYR 24 56.591 -5.580 -6.435 178 HA TYR 24 HA TYR 24 55.714 -7.227 -7.779 179 HB2 TYR 24 HB2 TYR 24 57.986 -8.762 -6.493 180 HB3 TYR 24 HB1 TYR 24 57.087 -9.300 -7.914 181 HD1 TYR 24 HD1 TYR 24 59.420 -6.740 -6.586 182 HD2 TYR 24 HD2 TYR 24 57.396 -8.247 -10.088 183 HE1 TYR 24 HE1 TYR 24 60.881 -5.334 -8.035 184 HE2 TYR 24 HE2 TYR 24 58.857 -6.841 -11.537 185 HH TYR 24 HH TYR 24 61.592 -5.042 -10.196 186 H LEU 25 HN LEU 25 56.756 -9.663 -5.500 187 HA LEU 25 HA LEU 25 54.084 -10.696 -5.258 188 HB2 LEU 25 HB2 LEU 25 56.445 -11.512 -3.560 189 HB3 LEU 25 HB1 LEU 25 55.062 -12.487 -4.055 190 HG LEU 25 HG LEU 25 57.256 -11.428 -5.861 191 HD11 LEU 25 HD11 LEU 25 56.480 -14.270 -5.144 192 HD12 LEU 25 HD12 LEU 25 57.813 -13.390 -4.397 193 HD13 LEU 25 HD13 LEU 25 57.859 -13.767 -6.120 194 HD21 LEU 25 HD21 LEU 25 54.668 -12.895 -6.441 195 HD22 LEU 25 HD22 LEU 25 56.033 -12.935 -7.559 196 HD23 LEU 25 HD23 LEU 25 55.259 -11.401 -7.169 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 40.735 26.056 3.660 2 H2 GLY 1 HT2 GLY 1 39.364 26.804 2.993 3 H3 GLY 1 HT3 GLY 1 39.307 25.169 3.452 4 HA2 GLY 1 HA1 GLY 1 38.566 27.313 4.930 5 HA3 GLY 1 HA2 GLY 1 38.762 25.654 5.479 6 H TRP 2 HN TRP 2 41.180 25.066 5.851 7 HA TRP 2 HA TRP 2 42.940 27.170 6.668 8 HB2 TRP 2 HB2 TRP 2 41.319 27.304 8.519 9 HB3 TRP 2 HB1 TRP 2 41.561 25.589 8.852 10 HD1 TRP 2 HD1 TRP 2 44.019 24.843 9.701 11 HE1 TRP 2 HE1 TRP 2 45.801 26.151 11.028 12 HE3 TRP 2 HE3 TRP 2 42.333 29.619 8.951 13 HZ2 TRP 2 HZ2 TRP 2 46.438 28.873 11.692 14 HZ3 TRP 2 HZ3 TRP 2 43.545 31.555 9.944 15 HH2 TRP 2 HH2 TRP 2 45.593 31.187 11.312 16 H GLY 3 HN GLY 3 42.028 23.783 7.303 17 HA2 GLY 3 HA1 GLY 3 44.461 22.780 6.218 18 HA3 GLY 3 HA2 GLY 3 44.498 22.753 7.976 19 H SER 4 HN SER 4 41.746 22.207 5.808 20 HA SER 4 HA SER 4 40.949 19.859 7.244 21 HB2 SER 4 HB2 SER 4 39.224 19.671 5.475 22 HB3 SER 4 HB1 SER 4 39.288 21.287 6.170 23 HG SER 4 HG SER 4 39.869 22.030 4.295 24 H PHE 5 HN PHE 5 42.669 20.488 4.234 25 HA PHE 5 HA PHE 5 42.627 17.865 3.193 26 HB2 PHE 5 HB2 PHE 5 44.717 20.029 2.846 27 HB3 PHE 5 HB1 PHE 5 44.547 18.594 1.834 28 HD1 PHE 5 HD1 PHE 5 42.936 21.779 2.874 29 HD2 PHE 5 HD2 PHE 5 42.795 18.420 0.165 30 HE1 PHE 5 HE1 PHE 5 41.226 22.960 1.498 31 HE2 PHE 5 HE2 PHE 5 41.085 19.601 -1.209 32 HZ PHE 5 HZ PHE 5 40.344 21.894 -0.575 33 H PHE 6 HN PHE 6 44.948 16.801 2.806 34 HA PHE 6 HA PHE 6 46.774 16.827 4.995 35 HB2 PHE 6 HB2 PHE 6 44.851 15.695 6.091 36 HB3 PHE 6 HB1 PHE 6 44.915 14.441 4.852 37 HD1 PHE 6 HD1 PHE 6 46.638 12.735 4.866 38 HD2 PHE 6 HD2 PHE 6 46.754 16.008 7.680 39 HE1 PHE 6 HE1 PHE 6 48.422 11.565 6.155 40 HE2 PHE 6 HE2 PHE 6 48.537 14.836 8.968 41 HZ PHE 6 HZ PHE 6 49.315 12.581 8.247 42 H ARG 7 HN ARG 7 45.340 14.653 2.556 43 HA ARG 7 HA ARG 7 47.843 13.381 1.952 44 HB2 ARG 7 HB2 ARG 7 45.236 13.425 0.411 45 HB3 ARG 7 HB1 ARG 7 46.595 12.347 0.092 46 HG2 ARG 7 HG2 ARG 7 46.371 11.310 2.265 47 HG3 ARG 7 HG1 ARG 7 45.156 12.492 2.754 48 HD2 ARG 7 HD2 ARG 7 44.016 10.448 2.105 49 HD3 ARG 7 HD1 ARG 7 43.696 11.680 0.884 50 HE ARG 7 HE ARG 7 44.910 10.381 -0.672 51 HH11 ARG 7 HH11 ARG 7 47.465 9.827 -0.084 52 HH12 ARG 7 HH12 ARG 7 47.538 8.251 0.630 53 HH21 ARG 7 HH21 ARG 7 44.158 8.152 1.399 54 HH22 ARG 7 HH22 ARG 7 45.667 7.303 1.470 55 H ARG 8 HN ARG 8 47.020 16.449 1.489 56 HA ARG 8 HA ARG 8 48.698 16.729 -0.923 57 HB2 ARG 8 HB2 ARG 8 46.038 18.137 -0.566 58 HB3 ARG 8 HB1 ARG 8 47.153 18.326 -1.919 59 HG2 ARG 8 HG2 ARG 8 46.898 15.861 -2.376 60 HG3 ARG 8 HG1 ARG 8 45.631 15.822 -1.149 61 HD2 ARG 8 HD2 ARG 8 44.322 17.467 -2.402 62 HD3 ARG 8 HD1 ARG 8 45.606 17.604 -3.604 63 HE ARG 8 HE ARG 8 44.959 14.893 -3.567 64 HH11 ARG 8 HH11 ARG 8 42.353 16.663 -2.930 65 HH12 ARG 8 HH12 ARG 8 41.589 16.547 -4.480 66 HH21 ARG 8 HH21 ARG 8 44.395 15.259 -6.060 67 HH22 ARG 8 HH22 ARG 8 42.746 15.752 -6.254 68 H ALA 9 HN ALA 9 48.183 17.458 2.212 69 HA ALA 9 HA ALA 9 48.518 20.241 2.406 70 HB1 ALA 9 HB1 ALA 9 49.314 19.798 4.675 71 HB2 ALA 9 HB2 ALA 9 49.515 18.090 4.280 72 HB3 ALA 9 HB3 ALA 9 47.903 18.807 4.304 73 H ALA 10 HN ALA 10 50.834 17.634 1.927 74 HA ALA 10 HA ALA 10 52.790 19.396 0.840 75 HB1 ALA 10 HB1 ALA 10 53.145 19.991 3.172 76 HB2 ALA 10 HB2 ALA 10 54.524 19.071 2.570 77 HB3 ALA 10 HB3 ALA 10 53.324 18.289 3.600 78 H HIS 11 HN HIS 11 51.851 17.362 -0.447 79 HA HIS 11 HA HIS 11 52.311 15.355 -1.472 80 HB2 HIS 11 HB2 HIS 11 55.131 15.810 -0.482 81 HB3 HIS 11 HB1 HIS 11 54.623 14.898 -1.903 82 HD1 HIS 11 HD1 HIS 11 53.771 16.265 -3.966 83 HD2 HIS 11 HD2 HIS 11 55.119 18.637 -0.815 84 HE1 HIS 11 HE1 HIS 11 54.051 18.604 -4.898 85 H VAL 12 HN VAL 12 51.622 15.409 1.439 86 HA VAL 12 HA VAL 12 53.087 13.401 2.803 87 HB VAL 12 HB VAL 12 50.176 14.142 3.218 88 HG11 VAL 12 HG11 VAL 12 52.285 12.852 4.972 89 HG12 VAL 12 HG12 VAL 12 50.787 12.119 4.398 90 HG13 VAL 12 HG13 VAL 12 50.732 13.433 5.572 91 HG21 VAL 12 HG21 VAL 12 52.723 15.352 4.342 92 HG22 VAL 12 HG22 VAL 12 51.103 15.705 4.944 93 HG23 VAL 12 HG23 VAL 12 51.551 16.157 3.299 94 H GLY 13 HN GLY 13 50.536 13.299 0.437 95 HA2 GLY 13 HA1 GLY 13 49.650 10.646 0.938 96 HA3 GLY 13 HA2 GLY 13 49.384 11.568 -0.536 97 H ARG 14 HN ARG 14 50.916 11.460 -2.218 98 HA ARG 14 HA ARG 14 52.049 8.937 -2.674 99 HB2 ARG 14 HB2 ARG 14 52.866 11.551 -3.962 100 HB3 ARG 14 HB1 ARG 14 53.093 9.934 -4.624 101 HG2 ARG 14 HG2 ARG 14 50.677 9.604 -4.752 102 HG3 ARG 14 HG1 ARG 14 50.398 11.170 -3.987 103 HD2 ARG 14 HD2 ARG 14 50.147 11.313 -6.445 104 HD3 ARG 14 HD1 ARG 14 51.490 12.303 -5.877 105 HE ARG 14 HE ARG 14 52.374 9.646 -6.618 106 HH11 ARG 14 HH11 ARG 14 52.980 12.810 -7.190 107 HH12 ARG 14 HH12 ARG 14 53.233 12.680 -8.897 108 HH21 ARG 14 HH21 ARG 14 52.030 9.432 -9.094 109 HH22 ARG 14 HH22 ARG 14 52.697 10.766 -9.976 110 H HIS 15 HN HIS 15 54.625 9.542 -3.684 111 HA HIS 15 HA HIS 15 56.811 9.388 -2.990 112 HB2 HIS 15 HB2 HIS 15 55.834 11.622 -1.198 113 HB3 HIS 15 HB1 HIS 15 57.531 11.188 -1.407 114 HD1 HIS 15 HD1 HIS 15 54.625 12.745 -3.200 115 HD2 HIS 15 HD2 HIS 15 58.606 11.804 -3.996 116 HE1 HIS 15 HE1 HIS 15 55.237 13.967 -5.331 117 H VAL 16 HN VAL 16 56.051 10.461 0.217 118 HA VAL 16 HA VAL 16 57.303 8.395 1.556 119 HB VAL 16 HB VAL 16 54.875 9.879 2.607 120 HG11 VAL 16 HG11 VAL 16 55.581 8.023 4.020 121 HG12 VAL 16 HG12 VAL 16 56.061 9.537 4.783 122 HG13 VAL 16 HG13 VAL 16 57.259 8.557 3.937 123 HG21 VAL 16 HG21 VAL 16 56.546 11.515 3.468 124 HG22 VAL 16 HG22 VAL 16 56.503 11.476 1.705 125 HG23 VAL 16 HG23 VAL 16 57.807 10.666 2.575 126 H GLY 17 HN GLY 17 53.850 8.677 0.741 127 HA2 GLY 17 HA1 GLY 17 53.179 6.116 1.853 128 HA3 GLY 17 HA2 GLY 17 52.138 7.139 0.872 129 H ARG 18 HN ARG 18 53.969 7.351 -1.345 130 HA ARG 18 HA ARG 18 53.143 5.176 -2.900 131 HB2 ARG 18 HB2 ARG 18 53.922 7.365 -3.797 132 HB3 ARG 18 HB1 ARG 18 55.572 6.924 -3.359 133 HG2 ARG 18 HG2 ARG 18 55.569 5.063 -4.880 134 HG3 ARG 18 HG1 ARG 18 53.836 5.222 -5.166 135 HD2 ARG 18 HD2 ARG 18 55.934 7.282 -5.911 136 HD3 ARG 18 HD1 ARG 18 55.132 6.185 -7.035 137 HE ARG 18 HE ARG 18 54.044 8.654 -6.134 138 HH11 ARG 18 HH11 ARG 18 53.023 6.929 -8.420 139 HH12 ARG 18 HH12 ARG 18 51.432 6.533 -7.861 140 HH21 ARG 18 HH21 ARG 18 52.065 7.462 -4.580 141 HH22 ARG 18 HH22 ARG 18 50.888 6.837 -5.688 142 H ALA 19 HN ALA 19 56.436 5.843 -1.681 143 HA ALA 19 HA ALA 19 57.489 3.319 -2.403 144 HB1 ALA 19 HB1 ALA 19 58.912 5.255 -1.964 145 HB2 ALA 19 HB2 ALA 19 59.353 3.911 -0.910 146 HB3 ALA 19 HB3 ALA 19 58.407 5.257 -0.274 147 H ALA 20 HN ALA 20 56.099 1.689 -1.694 148 HA ALA 20 HA ALA 20 56.596 0.693 0.927 149 HB1 ALA 20 HB1 ALA 20 53.837 1.802 0.389 150 HB2 ALA 20 HB2 ALA 20 54.992 2.406 1.576 151 HB3 ALA 20 HB3 ALA 20 54.280 0.805 1.774 152 H LEU 21 HN LEU 21 54.948 -1.203 1.366 153 HA LEU 21 HA LEU 21 55.233 -3.045 -0.758 154 HB2 LEU 21 HB2 LEU 21 53.252 -3.301 1.512 155 HB3 LEU 21 HB1 LEU 21 54.056 -4.592 0.622 156 HG LEU 21 HG LEU 21 55.421 -2.585 2.444 157 HD11 LEU 21 HD11 LEU 21 54.921 -5.561 2.763 158 HD12 LEU 21 HD12 LEU 21 54.064 -4.285 3.629 159 HD13 LEU 21 HD13 LEU 21 55.790 -4.531 3.901 160 HD21 LEU 21 HD21 LEU 21 57.362 -4.264 2.096 161 HD22 LEU 21 HD22 LEU 21 57.010 -3.163 0.769 162 HD23 LEU 21 HD23 LEU 21 56.454 -4.835 0.696 163 H THR 22 HN THR 22 54.303 -2.182 -2.625 164 HA THR 22 HA THR 22 51.603 -1.268 -2.748 165 HB THR 22 HB THR 22 53.224 -0.566 -4.450 166 HG1 THR 22 HG1 THR 22 50.827 -1.384 -4.881 167 HG21 THR 22 HG21 THR 22 53.206 -3.435 -5.414 168 HG22 THR 22 HG22 THR 22 54.481 -2.768 -4.395 169 HG23 THR 22 HG23 THR 22 54.205 -2.109 -6.007 170 H HIS 23 HN HIS 23 49.796 -2.307 -3.699 171 HA HIS 23 HA HIS 23 49.599 -5.112 -3.063 172 HB2 HIS 23 HB2 HIS 23 47.260 -4.836 -3.953 173 HB3 HIS 23 HB1 HIS 23 47.677 -3.736 -2.640 174 HD1 HIS 23 HD1 HIS 23 45.567 -2.433 -3.975 175 HD2 HIS 23 HD2 HIS 23 49.317 -2.427 -5.794 176 HE1 HIS 23 HE1 HIS 23 45.554 -0.524 -5.639 177 H TYR 24 HN TYR 24 51.528 -5.264 -4.778 178 HA TYR 24 HA TYR 24 52.249 -6.113 -6.789 179 HB2 TYR 24 HB2 TYR 24 49.439 -7.239 -6.791 180 HB3 TYR 24 HB1 TYR 24 50.757 -7.787 -7.828 181 HD1 TYR 24 HD1 TYR 24 52.625 -9.086 -6.938 182 HD2 TYR 24 HD2 TYR 24 49.491 -7.629 -4.350 183 HE1 TYR 24 HE1 TYR 24 53.436 -10.577 -5.115 184 HE2 TYR 24 HE2 TYR 24 50.304 -9.121 -2.527 185 HH TYR 24 HH TYR 24 51.572 -11.481 -2.615 186 H LEU 25 HN LEU 25 51.266 -6.495 -9.218 187 HA LEU 25 HA LEU 25 51.213 -4.037 -10.445 188 HB2 LEU 25 HB2 LEU 25 49.916 -5.349 -12.329 189 HB3 LEU 25 HB1 LEU 25 51.562 -5.818 -11.917 190 HG LEU 25 HG LEU 25 50.760 -7.626 -10.508 191 HD11 LEU 25 HD11 LEU 25 48.768 -6.756 -9.527 192 HD12 LEU 25 HD12 LEU 25 48.233 -8.097 -10.536 193 HD13 LEU 25 HD13 LEU 25 48.039 -6.438 -11.103 194 HD21 LEU 25 HD21 LEU 25 50.932 -7.950 -12.997 195 HD22 LEU 25 HD22 LEU 25 49.200 -7.632 -13.108 196 HD23 LEU 25 HD23 LEU 25 49.783 -9.038 -12.218 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 47.252 17.172 7.545 2 H2 GLY 1 HT2 GLY 1 45.921 16.839 6.543 3 H3 GLY 1 HT3 GLY 1 47.005 15.600 6.963 4 HA2 GLY 1 HA1 GLY 1 45.964 15.160 8.801 5 HA3 GLY 1 HA2 GLY 1 45.970 16.860 9.249 6 H TRP 2 HN TRP 2 44.246 18.209 8.540 7 HA TRP 2 HA TRP 2 41.966 17.054 7.172 8 HB2 TRP 2 HB2 TRP 2 41.814 17.754 10.115 9 HB3 TRP 2 HB1 TRP 2 40.407 17.503 9.081 10 HD1 TRP 2 HD1 TRP 2 40.594 15.019 7.647 11 HE1 TRP 2 HE1 TRP 2 41.146 12.717 8.669 12 HE3 TRP 2 HE3 TRP 2 42.904 16.513 11.966 13 HZ2 TRP 2 HZ2 TRP 2 42.404 11.637 11.016 14 HZ3 TRP 2 HZ3 TRP 2 43.771 14.828 13.581 15 HH2 TRP 2 HH2 TRP 2 43.524 12.394 13.111 16 H GLY 3 HN GLY 3 43.242 19.704 9.154 17 HA2 GLY 3 HA1 GLY 3 41.399 21.654 8.186 18 HA3 GLY 3 HA2 GLY 3 42.879 21.972 9.080 19 H SER 4 HN SER 4 44.559 20.537 7.157 20 HA SER 4 HA SER 4 45.197 22.699 5.445 21 HB2 SER 4 HB2 SER 4 46.719 21.021 4.345 22 HB3 SER 4 HB1 SER 4 46.929 21.166 6.088 23 HG SER 4 HG SER 4 45.066 19.318 5.138 24 H PHE 5 HN PHE 5 45.662 21.818 2.969 25 HA PHE 5 HA PHE 5 43.476 20.401 1.782 26 HB2 PHE 5 HB2 PHE 5 42.301 22.496 2.298 27 HB3 PHE 5 HB1 PHE 5 43.542 23.411 1.442 28 HD1 PHE 5 HD1 PHE 5 40.892 20.811 1.032 29 HD2 PHE 5 HD2 PHE 5 43.517 23.603 -0.955 30 HE1 PHE 5 HE1 PHE 5 39.688 20.418 -1.114 31 HE2 PHE 5 HE2 PHE 5 42.314 23.208 -3.100 32 HZ PHE 5 HZ PHE 5 40.447 21.561 -3.193 33 H PHE 6 HN PHE 6 46.512 21.747 1.795 34 HA PHE 6 HA PHE 6 47.182 20.621 -0.764 35 HB2 PHE 6 HB2 PHE 6 46.232 22.812 -1.456 36 HB3 PHE 6 HB1 PHE 6 47.425 23.622 -0.441 37 HD1 PHE 6 HD1 PHE 6 49.784 23.704 -1.063 38 HD2 PHE 6 HD2 PHE 6 46.920 21.559 -3.477 39 HE1 PHE 6 HE1 PHE 6 51.459 23.537 -2.900 40 HE2 PHE 6 HE2 PHE 6 48.595 21.392 -5.314 41 HZ PHE 6 HZ PHE 6 50.892 22.303 -4.991 42 H ARG 7 HN ARG 7 48.114 22.734 1.918 43 HA ARG 7 HA ARG 7 50.902 22.558 1.636 44 HB2 ARG 7 HB2 ARG 7 49.293 22.797 4.192 45 HB3 ARG 7 HB1 ARG 7 51.000 23.199 3.998 46 HG2 ARG 7 HG2 ARG 7 50.473 24.971 2.436 47 HG3 ARG 7 HG1 ARG 7 48.774 24.495 2.402 48 HD2 ARG 7 HD2 ARG 7 49.327 26.486 3.894 49 HD3 ARG 7 HD1 ARG 7 48.444 25.172 4.674 50 HE ARG 7 HE ARG 7 51.318 24.869 4.960 51 HH11 ARG 7 HH11 ARG 7 48.630 26.744 6.010 52 HH12 ARG 7 HH12 ARG 7 49.187 26.873 7.646 53 HH21 ARG 7 HH21 ARG 7 51.994 24.905 7.127 54 HH22 ARG 7 HH22 ARG 7 51.091 25.833 8.278 55 H ARG 8 HN ARG 8 48.657 20.148 2.315 56 HA ARG 8 HA ARG 8 50.706 18.178 2.734 57 HB2 ARG 8 HB2 ARG 8 50.458 19.136 5.031 58 HB3 ARG 8 HB1 ARG 8 48.767 18.645 5.014 59 HG2 ARG 8 HG2 ARG 8 49.458 16.293 4.667 60 HG3 ARG 8 HG1 ARG 8 51.149 16.792 4.704 61 HD2 ARG 8 HD2 ARG 8 49.134 16.982 6.957 62 HD3 ARG 8 HD1 ARG 8 50.590 15.986 6.906 63 HE ARG 8 HE ARG 8 50.502 18.728 7.721 64 HH11 ARG 8 HH11 ARG 8 52.504 16.160 6.863 65 HH12 ARG 8 HH12 ARG 8 53.916 17.125 6.593 66 HH21 ARG 8 HH21 ARG 8 52.238 20.142 6.918 67 HH22 ARG 8 HH22 ARG 8 53.765 19.381 6.623 68 H ALA 9 HN ALA 9 47.392 18.112 3.995 69 HA ALA 9 HA ALA 9 45.672 16.645 3.529 70 HB1 ALA 9 HB1 ALA 9 45.220 18.317 1.874 71 HB2 ALA 9 HB2 ALA 9 44.973 16.742 1.123 72 HB3 ALA 9 HB3 ALA 9 46.446 17.654 0.793 73 H ALA 10 HN ALA 10 47.059 15.930 0.420 74 HA ALA 10 HA ALA 10 48.300 13.445 1.248 75 HB1 ALA 10 HB1 ALA 10 45.889 12.868 1.237 76 HB2 ALA 10 HB2 ALA 10 46.804 11.985 0.014 77 HB3 ALA 10 HB3 ALA 10 45.804 13.361 -0.455 78 H HIS 11 HN HIS 11 47.640 15.936 -0.974 79 HA HIS 11 HA HIS 11 48.631 14.800 -3.370 80 HB2 HIS 11 HB2 HIS 11 47.347 16.924 -3.260 81 HB3 HIS 11 HB1 HIS 11 48.733 17.696 -2.487 82 HD1 HIS 11 HD1 HIS 11 50.744 18.291 -3.961 83 HD2 HIS 11 HD2 HIS 11 47.725 16.304 -6.034 84 HE1 HIS 11 HE1 HIS 11 51.350 18.429 -6.416 85 H VAL 12 HN VAL 12 50.205 16.598 -0.747 86 HA VAL 12 HA VAL 12 52.771 16.765 -1.892 87 HB VAL 12 HB VAL 12 52.035 16.565 1.047 88 HG11 VAL 12 HG11 VAL 12 54.389 16.158 0.803 89 HG12 VAL 12 HG12 VAL 12 54.223 17.846 1.281 90 HG13 VAL 12 HG13 VAL 12 54.548 17.435 -0.403 91 HG21 VAL 12 HG21 VAL 12 50.899 18.430 -0.069 92 HG22 VAL 12 HG22 VAL 12 52.421 18.947 -0.796 93 HG23 VAL 12 HG23 VAL 12 52.198 19.053 0.949 94 H GLY 13 HN GLY 13 53.801 15.027 -2.674 95 HA2 GLY 13 HA1 GLY 13 54.971 13.052 -2.664 96 HA3 GLY 13 HA2 GLY 13 54.756 13.004 -0.920 97 H ARG 14 HN ARG 14 52.220 13.100 -3.379 98 HA ARG 14 HA ARG 14 50.608 11.153 -2.227 99 HB2 ARG 14 HB2 ARG 14 49.898 12.713 -4.030 100 HB3 ARG 14 HB1 ARG 14 50.846 11.772 -5.181 101 HG2 ARG 14 HG2 ARG 14 49.487 9.819 -4.834 102 HG3 ARG 14 HG1 ARG 14 48.667 10.563 -3.460 103 HD2 ARG 14 HD2 ARG 14 47.583 12.177 -4.881 104 HD3 ARG 14 HD1 ARG 14 48.559 11.694 -6.268 105 HE ARG 14 HE ARG 14 47.154 9.400 -5.358 106 HH11 ARG 14 HH11 ARG 14 47.062 10.223 -8.185 107 HH12 ARG 14 HH12 ARG 14 45.425 10.751 -8.386 108 HH21 ARG 14 HH21 ARG 14 44.828 11.065 -4.986 109 HH22 ARG 14 HH22 ARG 14 44.159 11.226 -6.576 110 H HIS 15 HN HIS 15 53.512 10.797 -4.049 111 HA HIS 15 HA HIS 15 53.170 8.203 -5.091 112 HB2 HIS 15 HB2 HIS 15 55.027 9.749 -5.699 113 HB3 HIS 15 HB1 HIS 15 55.737 9.469 -4.108 114 HD1 HIS 15 HD1 HIS 15 54.070 6.703 -6.034 115 HD2 HIS 15 HD2 HIS 15 57.926 7.954 -5.069 116 HE1 HIS 15 HE1 HIS 15 55.627 4.836 -6.743 117 H VAL 16 HN VAL 16 55.175 9.056 -2.265 118 HA VAL 16 HA VAL 16 55.111 6.381 -1.245 119 HB VAL 16 HB VAL 16 55.915 8.906 0.228 120 HG11 VAL 16 HG11 VAL 16 55.629 6.980 1.689 121 HG12 VAL 16 HG12 VAL 16 57.354 7.286 1.481 122 HG13 VAL 16 HG13 VAL 16 56.578 5.970 0.598 123 HG21 VAL 16 HG21 VAL 16 57.623 7.021 -1.430 124 HG22 VAL 16 HG22 VAL 16 58.184 8.451 -0.563 125 HG23 VAL 16 HG23 VAL 16 57.110 8.627 -1.951 126 H GLY 17 HN GLY 17 53.457 9.404 -0.438 127 HA2 GLY 17 HA1 GLY 17 52.218 8.779 1.923 128 HA3 GLY 17 HA2 GLY 17 51.482 9.773 0.674 129 H ARG 18 HN ARG 18 50.673 8.320 -1.263 130 HA ARG 18 HA ARG 18 48.558 6.740 -0.230 131 HB2 ARG 18 HB2 ARG 18 48.574 8.021 -2.426 132 HB3 ARG 18 HB1 ARG 18 49.581 6.731 -3.075 133 HG2 ARG 18 HG2 ARG 18 47.436 6.008 -3.697 134 HG3 ARG 18 HG1 ARG 18 47.677 5.136 -2.189 135 HD2 ARG 18 HD2 ARG 18 46.346 6.765 -0.970 136 HD3 ARG 18 HD1 ARG 18 46.242 7.805 -2.391 137 HE ARG 18 HE ARG 18 45.178 5.353 -3.203 138 HH11 ARG 18 HH11 ARG 18 43.276 4.408 -2.127 139 HH12 ARG 18 HH12 ARG 18 42.162 5.535 -1.426 140 HH21 ARG 18 HH21 ARG 18 44.313 8.241 -1.702 141 HH22 ARG 18 HH22 ARG 18 42.750 7.703 -1.184 142 H ALA 19 HN ALA 19 51.390 5.814 -2.200 143 HA ALA 19 HA ALA 19 50.989 3.039 -2.043 144 HB1 ALA 19 HB1 ALA 19 53.634 4.479 -2.270 145 HB2 ALA 19 HB2 ALA 19 52.533 4.193 -3.620 146 HB3 ALA 19 HB3 ALA 19 53.276 2.830 -2.783 147 H ALA 20 HN ALA 20 53.487 2.084 -1.097 148 HA ALA 20 HA ALA 20 53.914 2.859 1.624 149 HB1 ALA 20 HB1 ALA 20 52.467 0.250 1.157 150 HB2 ALA 20 HB2 ALA 20 51.737 1.701 1.843 151 HB3 ALA 20 HB3 ALA 20 53.033 0.873 2.707 152 H LEU 21 HN LEU 21 55.137 0.863 2.753 153 HA LEU 21 HA LEU 21 57.453 0.405 1.110 154 HB2 LEU 21 HB2 LEU 21 56.909 -0.911 3.774 155 HB3 LEU 21 HB1 LEU 21 58.462 -0.469 3.063 156 HG LEU 21 HG LEU 21 56.325 1.437 4.068 157 HD11 LEU 21 HD11 LEU 21 58.097 2.077 5.683 158 HD12 LEU 21 HD12 LEU 21 59.143 0.824 5.013 159 HD13 LEU 21 HD13 LEU 21 57.651 0.377 5.842 160 HD21 LEU 21 HD21 LEU 21 58.924 1.905 2.579 161 HD22 LEU 21 HD22 LEU 21 58.172 3.159 3.566 162 HD23 LEU 21 HD23 LEU 21 57.316 2.504 2.173 163 H THR 22 HN THR 22 54.706 -0.873 0.546 164 HA THR 22 HA THR 22 55.732 -3.333 -0.491 165 HB THR 22 HB THR 22 55.445 -4.161 1.774 166 HG1 THR 22 HG1 THR 22 54.403 -5.864 1.109 167 HG21 THR 22 HG21 THR 22 53.860 -2.340 2.473 168 HG22 THR 22 HG22 THR 22 53.360 -3.952 2.988 169 HG23 THR 22 HG23 THR 22 52.582 -3.186 1.602 170 H HIS 23 HN HIS 23 54.515 -3.986 -2.189 171 HA HIS 23 HA HIS 23 51.694 -3.408 -2.398 172 HB2 HIS 23 HB2 HIS 23 52.659 -1.208 -2.981 173 HB3 HIS 23 HB1 HIS 23 53.616 -1.973 -4.249 174 HD1 HIS 23 HD1 HIS 23 52.496 -2.306 -6.474 175 HD2 HIS 23 HD2 HIS 23 49.737 -1.529 -3.448 176 HE1 HIS 23 HE1 HIS 23 50.247 -2.029 -7.607 177 H TYR 24 HN TYR 24 50.742 -4.853 -3.714 178 HA TYR 24 HA TYR 24 52.181 -7.032 -4.767 179 HB2 TYR 24 HB2 TYR 24 49.803 -7.160 -4.147 180 HB3 TYR 24 HB1 TYR 24 49.397 -6.078 -5.479 181 HD1 TYR 24 HD1 TYR 24 49.287 -6.872 -7.758 182 HD2 TYR 24 HD2 TYR 24 50.791 -9.425 -4.619 183 HE1 TYR 24 HE1 TYR 24 49.221 -8.820 -9.309 184 HE2 TYR 24 HE2 TYR 24 50.726 -11.372 -6.171 185 HH TYR 24 HH TYR 24 49.034 -11.731 -8.554 186 H LEU 25 HN LEU 25 52.178 -7.717 -7.066 187 HA LEU 25 HA LEU 25 53.474 -5.808 -8.702 188 HB2 LEU 25 HB2 LEU 25 52.139 -8.332 -9.700 189 HB3 LEU 25 HB1 LEU 25 53.541 -7.504 -10.375 190 HG LEU 25 HG LEU 25 53.445 -8.868 -7.666 191 HD11 LEU 25 HD11 LEU 25 54.962 -9.660 -10.166 192 HD12 LEU 25 HD12 LEU 25 53.416 -10.368 -9.698 193 HD13 LEU 25 HD13 LEU 25 54.829 -10.573 -8.664 194 HD21 LEU 25 HD21 LEU 25 55.596 -7.332 -9.148 195 HD22 LEU 25 HD22 LEU 25 55.996 -8.507 -7.894 196 HD23 LEU 25 HD23 LEU 25 55.025 -7.092 -7.497 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 37.754 23.712 8.179 2 H2 GLY 1 HT2 GLY 1 38.678 24.010 6.785 3 H3 GLY 1 HT3 GLY 1 37.839 25.280 7.540 4 HA2 GLY 1 HA1 GLY 1 39.386 24.217 9.493 5 HA3 GLY 1 HA2 GLY 1 40.402 24.241 8.059 6 H TRP 2 HN TRP 2 41.089 25.813 10.162 7 HA TRP 2 HA TRP 2 40.015 28.473 9.942 8 HB2 TRP 2 HB2 TRP 2 41.066 27.520 12.020 9 HB3 TRP 2 HB1 TRP 2 42.627 27.612 11.204 10 HD1 TRP 2 HD1 TRP 2 39.660 30.017 11.876 11 HE1 TRP 2 HE1 TRP 2 40.624 32.342 12.441 12 HE3 TRP 2 HE3 TRP 2 44.659 29.030 11.388 13 HZ2 TRP 2 HZ2 TRP 2 43.185 33.626 12.660 14 HZ3 TRP 2 HZ3 TRP 2 46.345 30.821 11.780 15 HH2 TRP 2 HH2 TRP 2 45.614 33.115 12.415 16 H GLY 3 HN GLY 3 40.817 27.480 7.416 17 HA2 GLY 3 HA1 GLY 3 41.788 28.399 5.538 18 HA3 GLY 3 HA2 GLY 3 42.508 29.639 6.556 19 H SER 4 HN SER 4 43.251 26.752 7.952 20 HA SER 4 HA SER 4 46.003 26.903 7.209 21 HB2 SER 4 HB2 SER 4 46.337 25.094 8.706 22 HB3 SER 4 HB1 SER 4 45.021 26.032 9.408 23 HG SER 4 HG SER 4 43.581 24.534 8.714 24 H PHE 5 HN PHE 5 46.471 24.023 7.086 25 HA PHE 5 HA PHE 5 45.169 22.996 4.732 26 HB2 PHE 5 HB2 PHE 5 47.258 22.949 3.348 27 HB3 PHE 5 HB1 PHE 5 46.603 24.567 3.593 28 HD1 PHE 5 HD1 PHE 5 49.419 22.325 4.229 29 HD2 PHE 5 HD2 PHE 5 47.627 26.100 5.307 30 HE1 PHE 5 HE1 PHE 5 51.571 23.055 5.253 31 HE2 PHE 5 HE2 PHE 5 49.777 26.829 6.331 32 HZ PHE 5 HZ PHE 5 51.764 25.328 6.255 33 H PHE 6 HN PHE 6 44.944 20.957 5.377 34 HA PHE 6 HA PHE 6 46.910 19.649 7.067 35 HB2 PHE 6 HB2 PHE 6 44.421 18.514 5.765 36 HB3 PHE 6 HB1 PHE 6 45.344 17.791 7.083 37 HD1 PHE 6 HD1 PHE 6 42.933 20.405 6.146 38 HD2 PHE 6 HD2 PHE 6 45.362 18.819 9.342 39 HE1 PHE 6 HE1 PHE 6 41.624 21.733 7.800 40 HE2 PHE 6 HE2 PHE 6 44.053 20.145 10.996 41 HZ PHE 6 HZ PHE 6 42.239 21.665 10.214 42 H ARG 7 HN ARG 7 45.977 17.099 5.462 43 HA ARG 7 HA ARG 7 48.428 16.719 4.086 44 HB2 ARG 7 HB2 ARG 7 47.345 14.654 3.217 45 HB3 ARG 7 HB1 ARG 7 47.190 14.822 4.966 46 HG2 ARG 7 HG2 ARG 7 44.923 15.826 4.621 47 HG3 ARG 7 HG1 ARG 7 45.078 15.490 2.895 48 HD2 ARG 7 HD2 ARG 7 45.306 13.093 3.357 49 HD3 ARG 7 HD1 ARG 7 45.227 13.403 5.091 50 HE ARG 7 HE ARG 7 42.902 14.479 3.770 51 HH11 ARG 7 HH11 ARG 7 44.372 11.417 4.156 52 HH12 ARG 7 HH12 ARG 7 42.922 10.621 4.666 53 HH21 ARG 7 HH21 ARG 7 41.030 13.526 4.721 54 HH22 ARG 7 HH22 ARG 7 41.030 11.814 4.985 55 H ARG 8 HN ARG 8 45.979 18.714 3.284 56 HA ARG 8 HA ARG 8 45.563 18.158 0.524 57 HB2 ARG 8 HB2 ARG 8 44.100 19.606 1.990 58 HB3 ARG 8 HB1 ARG 8 45.347 20.850 1.888 59 HG2 ARG 8 HG2 ARG 8 45.129 20.940 -0.535 60 HG3 ARG 8 HG1 ARG 8 43.988 19.595 -0.516 61 HD2 ARG 8 HD2 ARG 8 42.483 21.001 0.943 62 HD3 ARG 8 HD1 ARG 8 43.577 22.356 0.660 63 HE ARG 8 HE ARG 8 42.930 21.409 -1.886 64 HH11 ARG 8 HH11 ARG 8 41.230 22.315 -3.068 65 HH12 ARG 8 HH12 ARG 8 39.925 23.086 -2.229 66 HH21 ARG 8 HH21 ARG 8 41.256 22.512 0.920 67 HH22 ARG 8 HH22 ARG 8 39.940 23.198 0.028 68 H ALA 9 HN ALA 9 48.169 19.527 2.273 69 HA ALA 9 HA ALA 9 49.735 19.850 -0.116 70 HB1 ALA 9 HB1 ALA 9 49.155 22.338 1.494 71 HB2 ALA 9 HB2 ALA 9 48.400 21.967 -0.056 72 HB3 ALA 9 HB3 ALA 9 50.144 22.214 0.039 73 H ALA 10 HN ALA 10 50.411 18.143 1.674 74 HA ALA 10 HA ALA 10 52.881 19.061 2.738 75 HB1 ALA 10 HB1 ALA 10 50.656 18.547 4.715 76 HB2 ALA 10 HB2 ALA 10 51.496 20.075 4.448 77 HB3 ALA 10 HB3 ALA 10 52.361 18.701 5.137 78 H HIS 11 HN HIS 11 50.785 16.752 1.708 79 HA HIS 11 HA HIS 11 52.679 14.635 1.995 80 HB2 HIS 11 HB2 HIS 11 51.691 14.664 4.292 81 HB3 HIS 11 HB1 HIS 11 50.114 14.339 3.572 82 HD1 HIS 11 HD1 HIS 11 53.389 12.736 4.374 83 HD2 HIS 11 HD2 HIS 11 49.871 11.717 2.386 84 HE1 HIS 11 HE1 HIS 11 53.445 10.224 4.061 85 H VAL 12 HN VAL 12 49.412 15.700 1.278 86 HA VAL 12 HA VAL 12 47.910 15.098 -0.345 87 HB VAL 12 HB VAL 12 50.393 14.087 -1.768 88 HG11 VAL 12 HG11 VAL 12 48.954 14.585 -3.800 89 HG12 VAL 12 HG12 VAL 12 47.586 14.746 -2.697 90 HG13 VAL 12 HG13 VAL 12 48.428 13.203 -2.838 91 HG21 VAL 12 HG21 VAL 12 50.438 16.502 -1.039 92 HG22 VAL 12 HG22 VAL 12 48.977 16.760 -1.993 93 HG23 VAL 12 HG23 VAL 12 50.477 16.286 -2.789 94 H GLY 13 HN GLY 13 50.167 12.452 -1.015 95 HA2 GLY 13 HA1 GLY 13 49.030 10.444 0.521 96 HA3 GLY 13 HA2 GLY 13 48.112 10.499 -0.978 97 H ARG 14 HN ARG 14 51.306 11.511 -1.406 98 HA ARG 14 HA ARG 14 51.931 9.232 -3.033 99 HB2 ARG 14 HB2 ARG 14 53.780 11.442 -2.104 100 HB3 ARG 14 HB1 ARG 14 54.019 10.369 -3.483 101 HG2 ARG 14 HG2 ARG 14 51.974 11.280 -4.539 102 HG3 ARG 14 HG1 ARG 14 51.767 12.376 -3.173 103 HD2 ARG 14 HD2 ARG 14 53.865 13.487 -3.669 104 HD3 ARG 14 HD1 ARG 14 54.241 12.305 -4.922 105 HE ARG 14 HE ARG 14 51.756 13.479 -5.602 106 HH11 ARG 14 HH11 ARG 14 52.151 14.499 -7.683 107 HH12 ARG 14 HH12 ARG 14 53.387 15.711 -7.738 108 HH21 ARG 14 HH21 ARG 14 54.617 14.978 -4.580 109 HH22 ARG 14 HH22 ARG 14 54.784 15.982 -5.982 110 H HIS 15 HN HIS 15 54.780 9.184 -2.333 111 HA HIS 15 HA HIS 15 56.185 7.831 -1.122 112 HB2 HIS 15 HB2 HIS 15 54.459 8.928 1.109 113 HB3 HIS 15 HB1 HIS 15 55.960 8.038 1.360 114 HD1 HIS 15 HD1 HIS 15 57.662 9.258 -0.910 115 HD2 HIS 15 HD2 HIS 15 55.368 11.497 1.751 116 HE1 HIS 15 HE1 HIS 15 58.631 11.597 -0.922 117 H VAL 16 HN VAL 16 53.812 7.221 1.323 118 HA VAL 16 HA VAL 16 53.991 4.438 1.155 119 HB VAL 16 HB VAL 16 51.621 6.001 2.219 120 HG11 VAL 16 HG11 VAL 16 51.467 4.003 3.739 121 HG12 VAL 16 HG12 VAL 16 52.724 3.232 2.772 122 HG13 VAL 16 HG13 VAL 16 51.167 3.626 2.042 123 HG21 VAL 16 HG21 VAL 16 52.852 5.824 4.403 124 HG22 VAL 16 HG22 VAL 16 53.660 6.861 3.229 125 HG23 VAL 16 HG23 VAL 16 54.253 5.225 3.515 126 H GLY 17 HN GLY 17 51.481 6.618 -0.125 127 HA2 GLY 17 HA1 GLY 17 49.673 4.849 -1.149 128 HA3 GLY 17 HA2 GLY 17 50.082 6.367 -1.936 129 H ARG 18 HN ARG 18 52.396 6.159 -3.054 130 HA ARG 18 HA ARG 18 52.036 4.292 -5.180 131 HB2 ARG 18 HB2 ARG 18 54.491 5.923 -4.487 132 HB3 ARG 18 HB1 ARG 18 54.134 5.175 -6.044 133 HG2 ARG 18 HG2 ARG 18 52.118 6.575 -6.264 134 HG3 ARG 18 HG1 ARG 18 52.463 7.323 -4.704 135 HD2 ARG 18 HD2 ARG 18 54.603 8.175 -5.573 136 HD3 ARG 18 HD1 ARG 18 54.279 7.415 -7.132 137 HE ARG 18 HE ARG 18 53.282 9.956 -6.342 138 HH11 ARG 18 HH11 ARG 18 53.178 8.376 -9.051 139 HH12 ARG 18 HH12 ARG 18 51.477 8.455 -9.364 140 HH21 ARG 18 HH21 ARG 18 50.662 9.459 -6.147 141 HH22 ARG 18 HH22 ARG 18 50.052 9.068 -7.720 142 H ALA 19 HN ALA 19 53.437 4.044 -2.094 143 HA ALA 19 HA ALA 19 54.737 2.455 -1.062 144 HB1 ALA 19 HB1 ALA 19 54.389 0.125 -1.929 145 HB2 ALA 19 HB2 ALA 19 53.457 0.822 -3.255 146 HB3 ALA 19 HB3 ALA 19 52.900 1.007 -1.591 147 H ALA 20 HN ALA 20 55.100 0.871 -4.168 148 HA ALA 20 HA ALA 20 57.603 2.053 -4.859 149 HB1 ALA 20 HB1 ALA 20 58.987 0.018 -4.411 150 HB2 ALA 20 HB2 ALA 20 57.642 -0.627 -3.471 151 HB3 ALA 20 HB3 ALA 20 58.449 0.853 -2.954 152 H LEU 21 HN LEU 21 56.902 -1.397 -5.026 153 HA LEU 21 HA LEU 21 55.665 -1.285 -7.613 154 HB2 LEU 21 HB2 LEU 21 57.681 -2.667 -8.626 155 HB3 LEU 21 HB1 LEU 21 57.740 -0.906 -8.615 156 HG LEU 21 HG LEU 21 59.097 -0.909 -6.596 157 HD11 LEU 21 HD11 LEU 21 59.949 -3.201 -5.783 158 HD12 LEU 21 HD12 LEU 21 58.598 -3.895 -6.680 159 HD13 LEU 21 HD13 LEU 21 58.295 -2.774 -5.352 160 HD21 LEU 21 HD21 LEU 21 60.155 -2.943 -8.585 161 HD22 LEU 21 HD22 LEU 21 61.119 -1.932 -7.509 162 HD23 LEU 21 HD23 LEU 21 60.199 -1.196 -8.819 163 H THR 22 HN THR 22 56.032 -2.639 -4.741 164 HA THR 22 HA THR 22 56.086 -5.442 -5.341 165 HB THR 22 HB THR 22 55.433 -5.769 -3.012 166 HG1 THR 22 HG1 THR 22 55.081 -2.959 -2.936 167 HG21 THR 22 HG21 THR 22 57.289 -3.381 -3.141 168 HG22 THR 22 HG22 THR 22 57.781 -5.011 -3.606 169 HG23 THR 22 HG23 THR 22 57.287 -4.677 -1.945 170 H HIS 23 HN HIS 23 54.490 -6.652 -6.129 171 HA HIS 23 HA HIS 23 51.688 -6.030 -5.528 172 HB2 HIS 23 HB2 HIS 23 52.735 -6.212 -8.365 173 HB3 HIS 23 HB1 HIS 23 51.038 -6.097 -7.900 174 HD1 HIS 23 HD1 HIS 23 53.667 -4.009 -9.026 175 HD2 HIS 23 HD2 HIS 23 50.695 -3.589 -6.135 176 HE1 HIS 23 HE1 HIS 23 53.476 -1.530 -8.551 177 H TYR 24 HN TYR 24 51.644 -7.980 -4.400 178 HA TYR 24 HA TYR 24 51.337 -10.234 -4.115 179 HB2 TYR 24 HB2 TYR 24 50.904 -10.335 -7.104 180 HB3 TYR 24 HB1 TYR 24 50.264 -11.434 -5.883 181 HD1 TYR 24 HD1 TYR 24 48.538 -10.651 -4.247 182 HD2 TYR 24 HD2 TYR 24 49.853 -8.194 -7.544 183 HE1 TYR 24 HE1 TYR 24 46.543 -9.187 -3.954 184 HE2 TYR 24 HE2 TYR 24 47.859 -6.732 -7.251 185 HH TYR 24 HH TYR 24 45.326 -7.552 -4.865 186 H LEU 25 HN LEU 25 52.982 -11.515 -3.622 187 HA LEU 25 HA LEU 25 55.490 -11.507 -4.853 188 HB2 LEU 25 HB2 LEU 25 54.350 -13.896 -3.395 189 HB3 LEU 25 HB1 LEU 25 56.031 -13.371 -3.481 190 HG LEU 25 HG LEU 25 53.759 -11.960 -2.053 191 HD11 LEU 25 HD11 LEU 25 54.775 -13.954 -0.936 192 HD12 LEU 25 HD12 LEU 25 55.040 -12.455 -0.047 193 HD13 LEU 25 HD13 LEU 25 56.344 -13.152 -1.010 194 HD21 LEU 25 HD21 LEU 25 55.704 -10.441 -1.287 195 HD22 LEU 25 HD22 LEU 25 55.117 -10.204 -2.931 196 HD23 LEU 25 HD23 LEU 25 56.607 -11.107 -2.649 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 39.712 18.002 5.374 2 H2 GLY 1 HT2 GLY 1 38.499 17.026 6.058 3 H3 GLY 1 HT3 GLY 1 39.946 17.310 6.903 4 HA2 GLY 1 HA1 GLY 1 38.770 19.743 6.219 5 HA3 GLY 1 HA2 GLY 1 37.597 18.716 7.034 6 H TRP 2 HN TRP 2 40.845 18.028 7.791 7 HA TRP 2 HA TRP 2 41.255 19.927 9.875 8 HB2 TRP 2 HB2 TRP 2 39.419 18.697 10.940 9 HB3 TRP 2 HB1 TRP 2 40.292 17.180 10.714 10 HD1 TRP 2 HD1 TRP 2 40.632 20.548 12.557 11 HE1 TRP 2 HE1 TRP 2 42.111 20.192 14.638 12 HE3 TRP 2 HE3 TRP 2 41.977 15.660 11.844 13 HZ2 TRP 2 HZ2 TRP 2 43.669 18.103 15.855 14 HZ3 TRP 2 HZ3 TRP 2 43.461 14.507 13.477 15 HH2 TRP 2 HH2 TRP 2 44.306 15.723 15.479 16 H GLY 3 HN GLY 3 42.090 17.228 8.001 17 HA2 GLY 3 HA1 GLY 3 44.846 17.555 8.308 18 HA3 GLY 3 HA2 GLY 3 44.348 16.255 9.382 19 H SER 4 HN SER 4 42.123 15.648 7.390 20 HA SER 4 HA SER 4 43.409 13.541 6.033 21 HB2 SER 4 HB2 SER 4 40.972 13.625 6.559 22 HB3 SER 4 HB1 SER 4 40.780 14.858 5.318 23 HG SER 4 HG SER 4 40.685 12.303 4.962 24 H PHE 5 HN PHE 5 43.674 13.244 3.730 25 HA PHE 5 HA PHE 5 45.091 15.340 2.484 26 HB2 PHE 5 HB2 PHE 5 44.970 13.890 0.449 27 HB3 PHE 5 HB1 PHE 5 45.534 13.039 1.887 28 HD1 PHE 5 HD1 PHE 5 44.100 11.411 3.054 29 HD2 PHE 5 HD2 PHE 5 42.758 13.447 -0.507 30 HE1 PHE 5 HE1 PHE 5 42.229 9.780 2.826 31 HE2 PHE 5 HE2 PHE 5 40.887 11.817 -0.734 32 HZ PHE 5 HZ PHE 5 40.600 10.008 0.954 33 H PHE 6 HN PHE 6 44.471 16.975 1.195 34 HA PHE 6 HA PHE 6 42.018 16.928 -0.317 35 HB2 PHE 6 HB2 PHE 6 41.146 17.467 1.931 36 HB3 PHE 6 HB1 PHE 6 42.238 18.851 2.012 37 HD1 PHE 6 HD1 PHE 6 39.196 17.468 0.446 38 HD2 PHE 6 HD2 PHE 6 41.898 20.831 0.590 39 HE1 PHE 6 HE1 PHE 6 37.537 18.854 -0.792 40 HE2 PHE 6 HE2 PHE 6 40.239 22.217 -0.650 41 HZ PHE 6 HZ PHE 6 38.065 21.223 -1.357 42 H ARG 7 HN ARG 7 44.361 19.171 1.176 43 HA ARG 7 HA ARG 7 44.319 21.030 -0.972 44 HB2 ARG 7 HB2 ARG 7 46.453 20.545 1.121 45 HB3 ARG 7 HB1 ARG 7 46.335 21.967 0.084 46 HG2 ARG 7 HG2 ARG 7 44.044 22.384 1.024 47 HG3 ARG 7 HG1 ARG 7 44.318 21.061 2.156 48 HD2 ARG 7 HD2 ARG 7 45.977 23.589 1.923 49 HD3 ARG 7 HD1 ARG 7 44.872 23.184 3.236 50 HE ARG 7 HE ARG 7 46.832 21.106 2.942 51 HH11 ARG 7 HH11 ARG 7 48.423 23.713 2.838 52 HH12 ARG 7 HH12 ARG 7 48.798 23.939 4.514 53 HH21 ARG 7 HH21 ARG 7 46.431 21.661 5.623 54 HH22 ARG 7 HH22 ARG 7 47.669 22.777 6.091 55 H ARG 8 HN ARG 8 46.923 18.785 0.009 56 HA ARG 8 HA ARG 8 48.621 17.821 -1.208 57 HB2 ARG 8 HB2 ARG 8 46.402 17.746 -3.265 58 HB3 ARG 8 HB1 ARG 8 47.924 16.866 -3.402 59 HG2 ARG 8 HG2 ARG 8 47.407 15.774 -1.191 60 HG3 ARG 8 HG1 ARG 8 45.817 16.535 -1.249 61 HD2 ARG 8 HD2 ARG 8 46.927 14.666 -3.364 62 HD3 ARG 8 HD1 ARG 8 45.756 14.214 -2.126 63 HE ARG 8 HE ARG 8 44.740 16.473 -3.536 64 HH11 ARG 8 HH11 ARG 8 42.708 15.778 -4.449 65 HH12 ARG 8 HH12 ARG 8 42.727 14.360 -5.446 66 HH21 ARG 8 HH21 ARG 8 45.982 13.499 -4.616 67 HH22 ARG 8 HH22 ARG 8 44.581 13.070 -5.540 68 H ALA 9 HN ALA 9 49.603 20.045 -1.114 69 HA ALA 9 HA ALA 9 50.562 20.762 -3.725 70 HB1 ALA 9 HB1 ALA 9 48.501 21.989 -3.865 71 HB2 ALA 9 HB2 ALA 9 49.803 23.143 -3.583 72 HB3 ALA 9 HB3 ALA 9 48.741 22.671 -2.258 73 H ALA 10 HN ALA 10 50.320 21.414 -0.284 74 HA ALA 10 HA ALA 10 52.628 23.119 -0.158 75 HB1 ALA 10 HB1 ALA 10 52.370 22.969 2.227 76 HB2 ALA 10 HB2 ALA 10 51.338 21.547 2.073 77 HB3 ALA 10 HB3 ALA 10 50.766 23.117 1.512 78 H HIS 11 HN HIS 11 52.095 19.884 1.257 79 HA HIS 11 HA HIS 11 54.643 18.912 0.243 80 HB2 HIS 11 HB2 HIS 11 54.210 19.063 3.235 81 HB3 HIS 11 HB1 HIS 11 55.645 18.481 2.390 82 HD1 HIS 11 HD1 HIS 11 56.792 20.406 0.760 83 HD2 HIS 11 HD2 HIS 11 54.418 21.725 3.922 84 HE1 HIS 11 HE1 HIS 11 57.372 22.845 1.123 85 H VAL 12 HN VAL 12 51.576 18.510 1.748 86 HA VAL 12 HA VAL 12 51.718 15.763 2.424 87 HB VAL 12 HB VAL 12 49.243 17.271 1.532 88 HG11 VAL 12 HG11 VAL 12 49.706 14.854 3.306 89 HG12 VAL 12 HG12 VAL 12 48.915 14.867 1.730 90 HG13 VAL 12 HG13 VAL 12 48.149 15.658 3.108 91 HG21 VAL 12 HG21 VAL 12 48.960 17.760 3.968 92 HG22 VAL 12 HG22 VAL 12 50.376 18.554 3.279 93 HG23 VAL 12 HG23 VAL 12 50.569 17.100 4.258 94 H GLY 13 HN GLY 13 52.761 14.698 0.697 95 HA2 GLY 13 HA1 GLY 13 51.004 13.667 -1.291 96 HA3 GLY 13 HA2 GLY 13 52.150 14.802 -1.991 97 H ARG 14 HN ARG 14 54.492 14.384 -1.338 98 HA ARG 14 HA ARG 14 55.201 11.764 -2.169 99 HB2 ARG 14 HB2 ARG 14 56.990 13.770 -0.784 100 HB3 ARG 14 HB1 ARG 14 57.479 12.466 -1.865 101 HG2 ARG 14 HG2 ARG 14 56.120 13.561 -3.682 102 HG3 ARG 14 HG1 ARG 14 55.866 14.926 -2.593 103 HD2 ARG 14 HD2 ARG 14 58.583 13.885 -3.447 104 HD3 ARG 14 HD1 ARG 14 57.784 15.295 -4.144 105 HE ARG 14 HE ARG 14 59.125 15.191 -1.554 106 HH11 ARG 14 HH11 ARG 14 59.305 17.626 -3.129 107 HH12 ARG 14 HH12 ARG 14 58.152 18.684 -2.389 108 HH21 ARG 14 HH21 ARG 14 56.483 16.138 -0.729 109 HH22 ARG 14 HH22 ARG 14 56.553 17.842 -1.031 110 H HIS 15 HN HIS 15 53.978 10.508 -0.577 111 HA HIS 15 HA HIS 15 54.571 10.558 2.193 112 HB2 HIS 15 HB2 HIS 15 52.557 9.476 1.125 113 HB3 HIS 15 HB1 HIS 15 53.619 8.174 0.590 114 HD1 HIS 15 HD1 HIS 15 51.592 9.222 3.416 115 HD2 HIS 15 HD2 HIS 15 55.016 6.897 2.929 116 HE1 HIS 15 HE1 HIS 15 51.844 7.865 5.539 117 H VAL 16 HN VAL 16 56.875 10.686 2.272 118 HA VAL 16 HA VAL 16 58.993 9.828 2.507 119 HB VAL 16 HB VAL 16 57.640 7.118 2.634 120 HG11 VAL 16 HG11 VAL 16 60.161 8.227 3.912 121 HG12 VAL 16 HG12 VAL 16 60.115 7.137 2.527 122 HG13 VAL 16 HG13 VAL 16 59.545 6.585 4.103 123 HG21 VAL 16 HG21 VAL 16 57.977 9.249 4.766 124 HG22 VAL 16 HG22 VAL 16 57.548 7.574 5.111 125 HG23 VAL 16 HG23 VAL 16 56.458 8.586 4.162 126 H GLY 17 HN GLY 17 59.092 10.476 0.139 127 HA2 GLY 17 HA1 GLY 17 59.942 10.058 -1.947 128 HA3 GLY 17 HA2 GLY 17 60.500 8.517 -1.311 129 H ARG 18 HN ARG 18 57.187 9.740 -1.632 130 HA ARG 18 HA ARG 18 55.338 8.838 -2.659 131 HB2 ARG 18 HB2 ARG 18 57.392 7.984 -4.714 132 HB3 ARG 18 HB1 ARG 18 55.650 8.097 -4.970 133 HG2 ARG 18 HG2 ARG 18 55.766 10.528 -4.401 134 HG3 ARG 18 HG1 ARG 18 57.521 10.384 -4.295 135 HD2 ARG 18 HD2 ARG 18 57.494 9.500 -6.668 136 HD3 ARG 18 HD1 ARG 18 55.787 9.937 -6.738 137 HE ARG 18 HE ARG 18 56.485 12.154 -7.073 138 HH11 ARG 18 HH11 ARG 18 57.675 13.946 -6.173 139 HH12 ARG 18 HH12 ARG 18 59.334 13.672 -5.758 140 HH21 ARG 18 HH21 ARG 18 59.152 10.237 -6.193 141 HH22 ARG 18 HH22 ARG 18 60.170 11.572 -5.770 142 H ALA 19 HN ALA 19 55.715 7.293 -0.682 143 HA ALA 19 HA ALA 19 56.601 4.644 -1.137 144 HB1 ALA 19 HB1 ALA 19 56.381 5.533 1.109 145 HB2 ALA 19 HB2 ALA 19 55.342 4.119 0.933 146 HB3 ALA 19 HB3 ALA 19 54.643 5.738 0.887 147 H ALA 20 HN ALA 20 55.539 2.806 -1.753 148 HA ALA 20 HA ALA 20 52.699 2.667 -2.091 149 HB1 ALA 20 HB1 ALA 20 53.130 4.040 -4.029 150 HB2 ALA 20 HB2 ALA 20 52.751 2.403 -4.568 151 HB3 ALA 20 HB3 ALA 20 54.424 2.962 -4.553 152 H LEU 21 HN LEU 21 55.515 1.312 -1.424 153 HA LEU 21 HA LEU 21 55.428 -1.166 -2.848 154 HB2 LEU 21 HB2 LEU 21 56.853 -0.229 -0.354 155 HB3 LEU 21 HB1 LEU 21 56.973 -1.898 -0.909 156 HG LEU 21 HG LEU 21 57.854 -1.150 -3.068 157 HD11 LEU 21 HD11 LEU 21 56.816 0.943 -3.472 158 HD12 LEU 21 HD12 LEU 21 58.504 1.359 -3.195 159 HD13 LEU 21 HD13 LEU 21 57.317 1.594 -1.912 160 HD21 LEU 21 HD21 LEU 21 60.009 -0.232 -2.260 161 HD22 LEU 21 HD22 LEU 21 59.438 -1.536 -1.220 162 HD23 LEU 21 HD23 LEU 21 59.261 0.142 -0.708 163 H THR 22 HN THR 22 53.045 -1.438 -2.502 164 HA THR 22 HA THR 22 52.598 -3.303 -0.304 165 HB THR 22 HB THR 22 50.494 -2.170 0.412 166 HG1 THR 22 HG1 THR 22 50.442 -0.918 -1.622 167 HG21 THR 22 HG21 THR 22 52.759 -1.824 1.547 168 HG22 THR 22 HG22 THR 22 51.544 -0.584 1.852 169 HG23 THR 22 HG23 THR 22 52.839 -0.283 0.694 170 H HIS 23 HN HIS 23 52.071 -4.974 -1.589 171 HA HIS 23 HA HIS 23 50.798 -4.898 -4.061 172 HB2 HIS 23 HB2 HIS 23 50.558 -7.120 -2.022 173 HB3 HIS 23 HB1 HIS 23 50.395 -7.261 -3.773 174 HD1 HIS 23 HD1 HIS 23 53.016 -6.226 -1.203 175 HD2 HIS 23 HD2 HIS 23 52.784 -7.838 -5.040 176 HE1 HIS 23 HE1 HIS 23 55.393 -6.747 -1.907 177 H TYR 24 HN TYR 24 48.610 -6.438 -4.123 178 HA TYR 24 HA TYR 24 46.573 -5.628 -2.263 179 HB2 TYR 24 HB2 TYR 24 45.219 -4.367 -3.934 180 HB3 TYR 24 HB1 TYR 24 46.714 -3.539 -3.494 181 HD1 TYR 24 HD1 TYR 24 48.687 -3.581 -5.030 182 HD2 TYR 24 HD2 TYR 24 44.860 -5.215 -6.176 183 HE1 TYR 24 HE1 TYR 24 49.399 -3.577 -7.418 184 HE2 TYR 24 HE2 TYR 24 45.572 -5.209 -8.565 185 HH TYR 24 HH TYR 24 48.548 -3.619 -9.569 186 H LEU 25 HN LEU 25 47.804 -7.460 -4.814 187 HA LEU 25 HA LEU 25 45.438 -8.582 -5.891 188 HB2 LEU 25 HB2 LEU 25 47.499 -8.818 -7.101 189 HB3 LEU 25 HB1 LEU 25 48.287 -9.591 -5.730 190 HG LEU 25 HG LEU 25 46.933 -11.576 -5.969 191 HD11 LEU 25 HD11 LEU 25 45.362 -9.892 -7.934 192 HD12 LEU 25 HD12 LEU 25 44.769 -10.751 -6.513 193 HD13 LEU 25 HD13 LEU 25 45.268 -11.654 -7.940 194 HD21 LEU 25 HD21 LEU 25 48.859 -11.389 -7.494 195 HD22 LEU 25 HD22 LEU 25 47.842 -10.590 -8.693 196 HD23 LEU 25 HD23 LEU 25 47.542 -12.274 -8.265 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 52.444 27.767 8.467 2 H2 GLY 1 HT2 GLY 1 51.119 27.278 7.525 3 H3 GLY 1 HT3 GLY 1 52.491 27.952 6.784 4 HA2 GLY 1 HA1 GLY 1 52.120 25.436 6.768 5 HA3 GLY 1 HA2 GLY 1 53.724 26.114 7.006 6 H TRP 2 HN TRP 2 51.957 23.688 8.009 7 HA TRP 2 HA TRP 2 53.354 23.417 10.514 8 HB2 TRP 2 HB2 TRP 2 51.462 24.837 11.219 9 HB3 TRP 2 HB1 TRP 2 50.335 23.647 10.566 10 HD1 TRP 2 HD1 TRP 2 53.225 23.789 13.135 11 HE1 TRP 2 HE1 TRP 2 52.686 22.145 15.047 12 HE3 TRP 2 HE3 TRP 2 48.862 21.786 11.357 13 HZ2 TRP 2 HZ2 TRP 2 50.665 20.224 15.740 14 HZ3 TRP 2 HZ3 TRP 2 47.646 20.049 12.661 15 HH2 TRP 2 HH2 TRP 2 48.543 19.266 14.849 16 H GLY 3 HN GLY 3 51.045 22.278 8.154 17 HA2 GLY 3 HA1 GLY 3 52.070 19.659 8.121 18 HA3 GLY 3 HA2 GLY 3 50.610 19.680 9.101 19 H SER 4 HN SER 4 51.641 21.182 6.034 20 HA SER 4 HA SER 4 50.599 21.330 3.994 21 HB2 SER 4 HB2 SER 4 49.313 18.712 4.789 22 HB3 SER 4 HB1 SER 4 49.541 19.329 3.156 23 HG SER 4 HG SER 4 51.699 19.027 3.339 24 H PHE 5 HN PHE 5 48.175 20.802 3.008 25 HA PHE 5 HA PHE 5 46.524 22.774 4.209 26 HB2 PHE 5 HB2 PHE 5 45.826 20.667 2.149 27 HB3 PHE 5 HB1 PHE 5 44.858 22.093 2.529 28 HD1 PHE 5 HD1 PHE 5 48.102 20.917 1.132 29 HD2 PHE 5 HD2 PHE 5 45.468 24.288 1.712 30 HE1 PHE 5 HE1 PHE 5 49.477 22.265 -0.448 31 HE2 PHE 5 HE2 PHE 5 46.844 25.634 0.129 32 HZ PHE 5 HZ PHE 5 48.851 24.624 -0.948 33 H PHE 6 HN PHE 6 45.337 19.518 3.486 34 HA PHE 6 HA PHE 6 44.694 18.943 6.256 35 HB2 PHE 6 HB2 PHE 6 42.519 19.589 4.253 36 HB3 PHE 6 HB1 PHE 6 42.236 18.758 5.782 37 HD1 PHE 6 HD1 PHE 6 43.081 21.965 4.180 38 HD2 PHE 6 HD2 PHE 6 42.559 19.916 7.944 39 HE1 PHE 6 HE1 PHE 6 43.006 24.156 5.364 40 HE2 PHE 6 HE2 PHE 6 42.483 22.109 9.126 41 HZ PHE 6 HZ PHE 6 42.631 24.229 7.825 42 H ARG 7 HN ARG 7 46.304 17.560 4.511 43 HA ARG 7 HA ARG 7 46.658 15.489 3.577 44 HB2 ARG 7 HB2 ARG 7 44.244 14.693 5.217 45 HB3 ARG 7 HB1 ARG 7 45.546 13.643 4.656 46 HG2 ARG 7 HG2 ARG 7 47.152 15.075 5.986 47 HG3 ARG 7 HG1 ARG 7 45.748 15.888 6.678 48 HD2 ARG 7 HD2 ARG 7 44.903 13.649 7.439 49 HD3 ARG 7 HD1 ARG 7 46.418 12.939 6.882 50 HE ARG 7 HE ARG 7 46.874 15.157 8.695 51 HH11 ARG 7 HH11 ARG 7 45.197 13.801 10.530 52 HH12 ARG 7 HH12 ARG 7 46.167 12.519 11.175 53 HH21 ARG 7 HH21 ARG 7 48.507 12.647 8.619 54 HH22 ARG 7 HH22 ARG 7 48.042 11.867 10.093 55 H ARG 8 HN ARG 8 45.377 17.112 1.838 56 HA ARG 8 HA ARG 8 44.024 15.255 0.142 57 HB2 ARG 8 HB2 ARG 8 42.218 15.953 1.812 58 HB3 ARG 8 HB1 ARG 8 42.312 17.560 1.094 59 HG2 ARG 8 HG2 ARG 8 41.859 16.529 -1.147 60 HG3 ARG 8 HG1 ARG 8 41.627 14.977 -0.342 61 HD2 ARG 8 HD2 ARG 8 39.445 15.941 -0.620 62 HD3 ARG 8 HD1 ARG 8 39.857 16.104 1.088 63 HE ARG 8 HE ARG 8 40.732 18.481 -0.052 64 HH11 ARG 8 HH11 ARG 8 39.271 20.072 0.960 65 HH12 ARG 8 HH12 ARG 8 37.611 19.989 0.474 66 HH21 ARG 8 HH21 ARG 8 37.944 16.906 -1.076 67 HH22 ARG 8 HH22 ARG 8 36.860 18.198 -0.678 68 H ALA 9 HN ALA 9 46.213 16.446 -0.541 69 HA ALA 9 HA ALA 9 45.551 18.049 -2.786 70 HB1 ALA 9 HB1 ALA 9 46.757 19.463 -0.408 71 HB2 ALA 9 HB2 ALA 9 45.238 19.840 -1.222 72 HB3 ALA 9 HB3 ALA 9 46.773 20.112 -2.047 73 H ALA 10 HN ALA 10 48.332 18.172 -0.560 74 HA ALA 10 HA ALA 10 50.316 18.031 -2.497 75 HB1 ALA 10 HB1 ALA 10 50.345 17.024 0.351 76 HB2 ALA 10 HB2 ALA 10 50.829 18.625 -0.214 77 HB3 ALA 10 HB3 ALA 10 51.780 17.208 -0.658 78 H HIS 11 HN HIS 11 50.475 15.327 -0.343 79 HA HIS 11 HA HIS 11 50.970 13.509 -2.505 80 HB2 HIS 11 HB2 HIS 11 51.082 11.802 -0.685 81 HB3 HIS 11 HB1 HIS 11 52.125 13.196 -0.399 82 HD1 HIS 11 HD1 HIS 11 48.959 11.568 0.802 83 HD2 HIS 11 HD2 HIS 11 51.401 14.785 1.822 84 HE1 HIS 11 HE1 HIS 11 48.128 12.418 3.039 85 H VAL 12 HN VAL 12 48.157 14.675 -1.054 86 HA VAL 12 HA VAL 12 45.942 14.100 -1.205 87 HB VAL 12 HB VAL 12 46.823 12.289 -3.473 88 HG11 VAL 12 HG11 VAL 12 44.505 12.773 -4.278 89 HG12 VAL 12 HG12 VAL 12 44.195 13.632 -2.769 90 HG13 VAL 12 HG13 VAL 12 44.528 11.900 -2.745 91 HG21 VAL 12 HG21 VAL 12 47.658 14.605 -3.765 92 HG22 VAL 12 HG22 VAL 12 46.024 15.217 -3.508 93 HG23 VAL 12 HG23 VAL 12 46.383 14.231 -4.926 94 H GLY 13 HN GLY 13 47.269 10.985 -2.289 95 HA2 GLY 13 HA1 GLY 13 47.204 9.618 0.132 96 HA3 GLY 13 HA2 GLY 13 45.597 9.489 -0.567 97 H ARG 14 HN ARG 14 48.776 9.520 -2.153 98 HA ARG 14 HA ARG 14 48.161 7.494 -3.989 99 HB2 ARG 14 HB2 ARG 14 50.873 8.303 -2.907 100 HB3 ARG 14 HB1 ARG 14 50.590 7.364 -4.373 101 HG2 ARG 14 HG2 ARG 14 49.411 9.209 -5.406 102 HG3 ARG 14 HG1 ARG 14 49.461 10.137 -3.907 103 HD2 ARG 14 HD2 ARG 14 51.865 10.338 -4.032 104 HD3 ARG 14 HD1 ARG 14 51.937 9.223 -5.397 105 HE ARG 14 HE ARG 14 50.248 11.458 -6.044 106 HH11 ARG 14 HH11 ARG 14 52.838 12.556 -4.748 107 HH12 ARG 14 HH12 ARG 14 53.789 12.851 -6.166 108 HH21 ARG 14 HH21 ARG 14 51.762 10.955 -8.243 109 HH22 ARG 14 HH22 ARG 14 53.180 11.946 -8.145 110 H HIS 15 HN HIS 15 48.701 7.286 -0.665 111 HA HIS 15 HA HIS 15 49.974 4.746 -0.493 112 HB2 HIS 15 HB2 HIS 15 49.847 6.385 1.382 113 HB3 HIS 15 HB1 HIS 15 48.119 6.057 1.509 114 HD1 HIS 15 HD1 HIS 15 47.687 3.233 1.613 115 HD2 HIS 15 HD2 HIS 15 51.264 4.770 3.100 116 HE1 HIS 15 HE1 HIS 15 48.619 1.482 3.188 117 H VAL 16 HN VAL 16 46.626 5.500 0.462 118 HA VAL 16 HA VAL 16 45.768 2.795 0.103 119 HB VAL 16 HB VAL 16 43.494 3.689 0.521 120 HG11 VAL 16 HG11 VAL 16 45.522 4.974 2.369 121 HG12 VAL 16 HG12 VAL 16 45.147 3.251 2.385 122 HG13 VAL 16 HG13 VAL 16 43.896 4.428 2.781 123 HG21 VAL 16 HG21 VAL 16 43.608 5.791 -0.668 124 HG22 VAL 16 HG22 VAL 16 44.946 6.345 0.338 125 HG23 VAL 16 HG23 VAL 16 43.336 6.163 1.035 126 H GLY 17 HN GLY 17 46.034 5.547 -1.956 127 HA2 GLY 17 HA1 GLY 17 44.054 4.805 -3.873 128 HA3 GLY 17 HA2 GLY 17 45.345 5.976 -4.106 129 H ARG 18 HN ARG 18 47.612 4.563 -3.864 130 HA ARG 18 HA ARG 18 47.451 2.163 -5.554 131 HB2 ARG 18 HB2 ARG 18 49.007 4.651 -6.314 132 HB3 ARG 18 HB1 ARG 18 49.167 3.081 -7.102 133 HG2 ARG 18 HG2 ARG 18 46.681 3.165 -7.568 134 HG3 ARG 18 HG1 ARG 18 46.700 4.834 -6.995 135 HD2 ARG 18 HD2 ARG 18 48.403 5.390 -8.707 136 HD3 ARG 18 HD1 ARG 18 48.330 3.731 -9.301 137 HE ARG 18 HE ARG 18 45.693 4.618 -9.391 138 HH11 ARG 18 HH11 ARG 18 46.191 7.291 -10.016 139 HH12 ARG 18 HH12 ARG 18 46.648 7.317 -11.687 140 HH21 ARG 18 HH21 ARG 18 47.385 3.932 -11.814 141 HH22 ARG 18 HH22 ARG 18 47.324 5.417 -12.704 142 H ALA 19 HN ALA 19 48.073 1.503 -3.273 143 HA ALA 19 HA ALA 19 50.476 2.131 -2.041 144 HB1 ALA 19 HB1 ALA 19 49.141 -0.577 -2.175 145 HB2 ALA 19 HB2 ALA 19 48.741 0.709 -1.036 146 HB3 ALA 19 HB3 ALA 19 50.325 -0.063 -0.974 147 H ALA 20 HN ALA 20 49.922 0.381 -4.964 148 HA ALA 20 HA ALA 20 51.327 -0.694 -6.434 149 HB1 ALA 20 HB1 ALA 20 53.467 0.314 -6.766 150 HB2 ALA 20 HB2 ALA 20 53.495 0.939 -5.117 151 HB3 ALA 20 HB3 ALA 20 52.360 1.603 -6.292 152 H LEU 21 HN LEU 21 54.122 -1.315 -6.042 153 HA LEU 21 HA LEU 21 53.818 -3.770 -4.559 154 HB2 LEU 21 HB2 LEU 21 56.076 -2.475 -6.090 155 HB3 LEU 21 HB1 LEU 21 56.362 -3.919 -5.120 156 HG LEU 21 HG LEU 21 54.699 -5.162 -6.385 157 HD11 LEU 21 HD11 LEU 21 53.029 -3.534 -6.878 158 HD12 LEU 21 HD12 LEU 21 53.690 -4.002 -8.443 159 HD13 LEU 21 HD13 LEU 21 54.184 -2.482 -7.697 160 HD21 LEU 21 HD21 LEU 21 56.980 -5.051 -7.310 161 HD22 LEU 21 HD22 LEU 21 56.553 -3.592 -8.206 162 HD23 LEU 21 HD23 LEU 21 55.789 -5.130 -8.609 163 H THR 22 HN THR 22 53.414 -1.435 -2.968 164 HA THR 22 HA THR 22 54.007 -0.512 -0.952 165 HB THR 22 HB THR 22 54.927 -2.010 0.689 166 HG1 THR 22 HG1 THR 22 55.657 -4.142 -0.396 167 HG21 THR 22 HG21 THR 22 53.402 -3.674 -1.333 168 HG22 THR 22 HG22 THR 22 52.656 -2.550 -0.196 169 HG23 THR 22 HG23 THR 22 53.512 -3.971 0.403 170 H HIS 23 HN HIS 23 55.352 0.914 -2.504 171 HA HIS 23 HA HIS 23 58.209 0.573 -2.468 172 HB2 HIS 23 HB2 HIS 23 56.518 2.994 -3.147 173 HB3 HIS 23 HB1 HIS 23 58.249 2.837 -3.452 174 HD1 HIS 23 HD1 HIS 23 58.562 0.129 -4.641 175 HD2 HIS 23 HD2 HIS 23 55.350 2.594 -5.621 176 HE1 HIS 23 HE1 HIS 23 57.665 -0.710 -6.855 177 H TYR 24 HN TYR 24 59.128 0.586 -0.481 178 HA TYR 24 HA TYR 24 58.249 2.226 1.679 179 HB2 TYR 24 HB2 TYR 24 60.836 0.721 1.243 180 HB3 TYR 24 HB1 TYR 24 60.373 1.493 2.760 181 HD1 TYR 24 HD1 TYR 24 59.654 -1.268 0.413 182 HD2 TYR 24 HD2 TYR 24 58.534 0.617 4.131 183 HE1 TYR 24 HE1 TYR 24 58.302 -3.270 1.021 184 HE2 TYR 24 HE2 TYR 24 57.182 -1.385 4.739 185 HH TYR 24 HH TYR 24 57.259 -4.314 3.172 186 H LEU 25 HN LEU 25 58.550 4.336 1.920 187 HA LEU 25 HA LEU 25 60.349 5.822 0.233 188 HB2 LEU 25 HB2 LEU 25 58.929 6.884 2.678 189 HB3 LEU 25 HB1 LEU 25 59.414 7.761 1.226 190 HG LEU 25 HG LEU 25 57.261 5.632 1.415 191 HD11 LEU 25 HD11 LEU 25 56.647 7.867 2.298 192 HD12 LEU 25 HD12 LEU 25 55.759 7.487 0.822 193 HD13 LEU 25 HD13 LEU 25 57.130 8.594 0.766 194 HD21 LEU 25 HD21 LEU 25 56.865 6.387 -1.022 195 HD22 LEU 25 HD22 LEU 25 58.256 5.348 -0.733 196 HD23 LEU 25 HD23 LEU 25 58.483 7.084 -0.949 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 48.964 27.668 7.287 2 H2 GLY 1 HT2 GLY 1 48.232 26.667 6.126 3 H3 GLY 1 HT3 GLY 1 49.747 27.372 5.814 4 HA2 GLY 1 HA1 GLY 1 49.601 24.940 6.507 5 HA3 GLY 1 HA2 GLY 1 50.860 25.982 7.159 6 H TRP 2 HN TRP 2 47.401 25.751 7.953 7 HA TRP 2 HA TRP 2 47.803 24.373 10.414 8 HB2 TRP 2 HB2 TRP 2 47.235 26.274 11.924 9 HB3 TRP 2 HB1 TRP 2 48.807 26.458 11.144 10 HD1 TRP 2 HD1 TRP 2 49.068 28.318 9.291 11 HE1 TRP 2 HE1 TRP 2 47.634 30.368 8.666 12 HE3 TRP 2 HE3 TRP 2 44.756 27.166 11.800 13 HZ2 TRP 2 HZ2 TRP 2 44.997 31.398 9.162 14 HZ3 TRP 2 HZ3 TRP 2 42.794 28.698 11.709 15 HH2 TRP 2 HH2 TRP 2 42.911 30.811 10.395 16 H GLY 3 HN GLY 3 45.872 26.265 8.244 17 HA2 GLY 3 HA1 GLY 3 43.379 26.044 9.563 18 HA3 GLY 3 HA2 GLY 3 43.617 26.367 7.851 19 H SER 4 HN SER 4 45.259 23.779 7.781 20 HA SER 4 HA SER 4 44.857 21.629 7.067 21 HB2 SER 4 HB2 SER 4 42.867 21.829 9.335 22 HB3 SER 4 HB1 SER 4 43.267 20.327 8.508 23 HG SER 4 HG SER 4 44.931 22.015 10.055 24 H PHE 5 HN PHE 5 44.081 22.227 4.999 25 HA PHE 5 HA PHE 5 41.340 22.844 4.501 26 HB2 PHE 5 HB2 PHE 5 43.478 21.831 2.609 27 HB3 PHE 5 HB1 PHE 5 41.933 22.535 2.133 28 HD1 PHE 5 HD1 PHE 5 41.487 24.933 2.412 29 HD2 PHE 5 HD2 PHE 5 45.258 23.202 3.598 30 HE1 PHE 5 HE1 PHE 5 42.478 27.212 2.588 31 HE2 PHE 5 HE2 PHE 5 46.249 25.481 3.776 32 HZ PHE 5 HZ PHE 5 44.879 27.480 3.200 33 H PHE 6 HN PHE 6 42.896 20.153 2.847 34 HA PHE 6 HA PHE 6 41.211 18.141 4.085 35 HB2 PHE 6 HB2 PHE 6 40.842 18.729 1.138 36 HB3 PHE 6 HB1 PHE 6 39.985 17.529 2.102 37 HD1 PHE 6 HD1 PHE 6 38.328 18.219 3.820 38 HD2 PHE 6 HD2 PHE 6 40.265 21.090 1.246 39 HE1 PHE 6 HE1 PHE 6 36.621 19.925 4.439 40 HE2 PHE 6 HE2 PHE 6 38.557 22.797 1.865 41 HZ PHE 6 HZ PHE 6 36.787 22.238 3.526 42 H ARG 7 HN ARG 7 41.393 16.426 1.711 43 HA ARG 7 HA ARG 7 44.061 15.413 2.156 44 HB2 ARG 7 HB2 ARG 7 41.897 14.516 0.236 45 HB3 ARG 7 HB1 ARG 7 43.378 13.629 0.597 46 HG2 ARG 7 HG2 ARG 7 42.731 13.438 2.948 47 HG3 ARG 7 HG1 ARG 7 41.284 14.401 2.649 48 HD2 ARG 7 HD2 ARG 7 40.387 12.701 1.170 49 HD3 ARG 7 HD1 ARG 7 41.883 11.773 1.265 50 HE ARG 7 HE ARG 7 41.131 10.905 3.322 51 HH11 ARG 7 HH11 ARG 7 40.721 13.832 4.330 52 HH12 ARG 7 HH12 ARG 7 39.071 13.738 4.845 53 HH21 ARG 7 HH21 ARG 7 38.448 10.754 3.193 54 HH22 ARG 7 HH22 ARG 7 37.783 11.995 4.202 55 H ARG 8 HN ARG 8 44.426 17.901 1.192 56 HA ARG 8 HA ARG 8 45.954 17.446 -1.183 57 HB2 ARG 8 HB2 ARG 8 43.614 17.663 -2.099 58 HB3 ARG 8 HB1 ARG 8 43.594 19.314 -1.481 59 HG2 ARG 8 HG2 ARG 8 45.614 19.828 -2.826 60 HG3 ARG 8 HG1 ARG 8 45.580 18.190 -3.478 61 HD2 ARG 8 HD2 ARG 8 43.403 20.279 -3.785 62 HD3 ARG 8 HD1 ARG 8 44.500 19.725 -5.050 63 HE ARG 8 HE ARG 8 43.240 17.411 -4.119 64 HH11 ARG 8 HH11 ARG 8 42.576 17.321 -6.676 65 HH12 ARG 8 HH12 ARG 8 41.041 18.092 -6.900 66 HH21 ARG 8 HH21 ARG 8 41.140 19.763 -3.863 67 HH22 ARG 8 HH22 ARG 8 40.226 19.474 -5.306 68 H ALA 9 HN ALA 9 47.286 18.235 0.719 69 HA ALA 9 HA ALA 9 48.027 20.947 0.270 70 HB1 ALA 9 HB1 ALA 9 46.088 21.462 1.618 71 HB2 ALA 9 HB2 ALA 9 47.542 21.778 2.566 72 HB3 ALA 9 HB3 ALA 9 46.601 20.315 2.856 73 H ALA 10 HN ALA 10 48.133 19.509 3.465 74 HA ALA 10 HA ALA 10 50.991 19.575 3.517 75 HB1 ALA 10 HB1 ALA 10 49.549 19.887 5.520 76 HB2 ALA 10 HB2 ALA 10 50.778 18.641 5.736 77 HB3 ALA 10 HB3 ALA 10 49.104 18.182 5.420 78 H HIS 11 HN HIS 11 48.578 16.979 3.302 79 HA HIS 11 HA HIS 11 50.497 14.862 3.221 80 HB2 HIS 11 HB2 HIS 11 47.633 14.880 2.236 81 HB3 HIS 11 HB1 HIS 11 48.611 13.453 2.581 82 HD1 HIS 11 HD1 HIS 11 49.361 16.020 5.008 83 HD2 HIS 11 HD2 HIS 11 46.329 13.193 4.587 84 HE1 HIS 11 HE1 HIS 11 48.306 15.753 7.296 85 H VAL 12 HN VAL 12 49.094 16.998 0.861 86 HA VAL 12 HA VAL 12 49.413 17.253 -1.395 87 HB VAL 12 HB VAL 12 51.975 15.724 -0.831 88 HG11 VAL 12 HG11 VAL 12 51.041 17.410 -3.166 89 HG12 VAL 12 HG12 VAL 12 51.570 15.728 -3.198 90 HG13 VAL 12 HG13 VAL 12 52.736 17.013 -2.888 91 HG21 VAL 12 HG21 VAL 12 51.724 17.771 0.534 92 HG22 VAL 12 HG22 VAL 12 51.386 18.701 -0.925 93 HG23 VAL 12 HG23 VAL 12 52.977 17.979 -0.688 94 H GLY 13 HN GLY 13 51.109 14.157 -1.173 95 HA2 GLY 13 HA1 GLY 13 49.043 12.431 -1.863 96 HA3 GLY 13 HA2 GLY 13 49.716 13.044 -3.368 97 H ARG 14 HN ARG 14 51.731 12.706 -0.566 98 HA ARG 14 HA ARG 14 53.380 10.728 -1.953 99 HB2 ARG 14 HB2 ARG 14 53.879 11.959 0.761 100 HB3 ARG 14 HB1 ARG 14 55.054 11.245 -0.344 101 HG2 ARG 14 HG2 ARG 14 54.512 13.045 -1.999 102 HG3 ARG 14 HG1 ARG 14 53.473 13.793 -0.786 103 HD2 ARG 14 HD2 ARG 14 55.503 13.824 0.756 104 HD3 ARG 14 HD1 ARG 14 56.468 13.381 -0.653 105 HE ARG 14 HE ARG 14 54.857 15.670 -1.280 106 HH11 ARG 14 HH11 ARG 14 56.654 15.432 1.481 107 HH12 ARG 14 HH12 ARG 14 57.840 16.617 1.053 108 HH21 ARG 14 HH21 ARG 14 56.784 16.874 -2.240 109 HH22 ARG 14 HH22 ARG 14 57.913 17.435 -1.053 110 H HIS 15 HN HIS 15 54.395 9.777 0.691 111 HA HIS 15 HA HIS 15 54.136 7.915 2.004 112 HB2 HIS 15 HB2 HIS 15 51.288 8.936 2.069 113 HB3 HIS 15 HB1 HIS 15 51.945 7.707 3.150 114 HD1 HIS 15 HD1 HIS 15 51.297 11.180 3.133 115 HD2 HIS 15 HD2 HIS 15 54.580 8.916 4.344 116 HE1 HIS 15 HE1 HIS 15 52.611 12.628 4.743 117 H VAL 16 HN VAL 16 50.848 7.322 1.290 118 HA VAL 16 HA VAL 16 51.380 4.752 0.215 119 HB VAL 16 HB VAL 16 48.921 4.722 -0.310 120 HG11 VAL 16 HG11 VAL 16 48.220 4.763 2.022 121 HG12 VAL 16 HG12 VAL 16 49.607 5.764 2.454 122 HG13 VAL 16 HG13 VAL 16 49.851 4.099 1.926 123 HG21 VAL 16 HG21 VAL 16 47.592 6.670 0.506 124 HG22 VAL 16 HG22 VAL 16 48.639 7.097 -0.848 125 HG23 VAL 16 HG23 VAL 16 49.096 7.545 0.795 126 H GLY 17 HN GLY 17 50.690 7.876 -1.254 127 HA2 GLY 17 HA1 GLY 17 50.003 7.212 -3.821 128 HA3 GLY 17 HA2 GLY 17 51.001 8.600 -3.412 129 H ARG 18 HN ARG 18 53.367 7.852 -2.809 130 HA ARG 18 HA ARG 18 54.436 6.675 -5.205 131 HB2 ARG 18 HB2 ARG 18 55.540 8.528 -3.924 132 HB3 ARG 18 HB1 ARG 18 55.894 7.366 -2.645 133 HG2 ARG 18 HG2 ARG 18 57.214 6.011 -4.168 134 HG3 ARG 18 HG1 ARG 18 56.759 7.033 -5.532 135 HD2 ARG 18 HD2 ARG 18 57.873 8.962 -4.439 136 HD3 ARG 18 HD1 ARG 18 58.367 7.909 -3.114 137 HE ARG 18 HE ARG 18 59.303 6.685 -5.466 138 HH11 ARG 18 HH11 ARG 18 59.887 9.300 -3.331 139 HH12 ARG 18 HH12 ARG 18 61.407 9.730 -4.044 140 HH21 ARG 18 HH21 ARG 18 61.177 7.384 -6.588 141 HH22 ARG 18 HH22 ARG 18 62.137 8.645 -5.889 142 H ALA 19 HN ALA 19 54.923 5.802 -1.772 143 HA ALA 19 HA ALA 19 55.979 3.254 -2.262 144 HB1 ALA 19 HB1 ALA 19 55.626 2.822 0.061 145 HB2 ALA 19 HB2 ALA 19 54.358 4.043 0.156 146 HB3 ALA 19 HB3 ALA 19 56.034 4.531 -0.091 147 H ALA 20 HN ALA 20 54.775 1.234 -1.264 148 HA ALA 20 HA ALA 20 51.955 1.059 -1.671 149 HB1 ALA 20 HB1 ALA 20 53.762 -0.041 -3.825 150 HB2 ALA 20 HB2 ALA 20 52.515 1.193 -4.009 151 HB3 ALA 20 HB3 ALA 20 52.062 -0.472 -3.640 152 H LEU 21 HN LEU 21 55.081 -0.467 -1.299 153 HA LEU 21 HA LEU 21 55.738 -2.433 -0.293 154 HB2 LEU 21 HB2 LEU 21 53.310 -1.611 1.304 155 HB3 LEU 21 HB1 LEU 21 54.214 -3.066 1.715 156 HG LEU 21 HG LEU 21 56.263 -1.757 1.989 157 HD11 LEU 21 HD11 LEU 21 55.975 0.809 1.964 158 HD12 LEU 21 HD12 LEU 21 54.498 0.515 1.045 159 HD13 LEU 21 HD13 LEU 21 56.057 0.001 0.401 160 HD21 LEU 21 HD21 LEU 21 53.882 -0.551 3.438 161 HD22 LEU 21 HD22 LEU 21 55.562 -0.418 3.960 162 HD23 LEU 21 HD23 LEU 21 54.770 -1.994 3.929 163 H THR 22 HN THR 22 55.346 -3.630 -2.257 164 HA THR 22 HA THR 22 53.506 -5.826 -1.851 165 HB THR 22 HB THR 22 53.128 -4.075 -4.300 166 HG1 THR 22 HG1 THR 22 52.166 -3.052 -2.615 167 HG21 THR 22 HG21 THR 22 52.709 -6.401 -4.791 168 HG22 THR 22 HG22 THR 22 51.147 -5.601 -4.615 169 HG23 THR 22 HG23 THR 22 51.780 -6.597 -3.304 170 H HIS 23 HN HIS 23 54.708 -7.528 -2.345 171 HA HIS 23 HA HIS 23 57.047 -7.350 -3.991 172 HB2 HIS 23 HB2 HIS 23 55.658 -9.874 -3.075 173 HB3 HIS 23 HB1 HIS 23 57.359 -9.667 -3.495 174 HD1 HIS 23 HD1 HIS 23 58.856 -8.325 -1.799 175 HD2 HIS 23 HD2 HIS 23 54.960 -8.993 -0.475 176 HE1 HIS 23 HE1 HIS 23 58.845 -7.815 0.682 177 H TYR 24 HN TYR 24 57.008 -7.255 -6.136 178 HA TYR 24 HA TYR 24 54.731 -7.904 -7.709 179 HB2 TYR 24 HB2 TYR 24 57.619 -7.429 -8.483 180 HB3 TYR 24 HB1 TYR 24 56.290 -7.577 -9.634 181 HD1 TYR 24 HD1 TYR 24 54.621 -5.817 -9.885 182 HD2 TYR 24 HD2 TYR 24 57.740 -5.513 -6.918 183 HE1 TYR 24 HE1 TYR 24 54.060 -3.413 -9.541 184 HE2 TYR 24 HE2 TYR 24 57.180 -3.109 -6.575 185 HH TYR 24 HH TYR 24 54.474 -1.788 -7.203 186 H LEU 25 HN LEU 25 54.931 -9.439 -9.626 187 HA LEU 25 HA LEU 25 56.601 -11.754 -9.350 188 HB2 LEU 25 HB2 LEU 25 54.450 -13.269 -9.089 189 HB3 LEU 25 HB1 LEU 25 55.215 -12.581 -7.660 190 HG LEU 25 HG LEU 25 53.611 -10.753 -7.613 191 HD11 LEU 25 HD11 LEU 25 53.163 -10.304 -9.908 192 HD12 LEU 25 HD12 LEU 25 51.638 -10.902 -9.263 193 HD13 LEU 25 HD13 LEU 25 52.667 -11.967 -10.220 194 HD21 LEU 25 HD21 LEU 25 51.605 -12.029 -7.082 195 HD22 LEU 25 HD22 LEU 25 53.018 -12.957 -6.578 196 HD23 LEU 25 HD23 LEU 25 52.168 -13.384 -8.063 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 43.581 20.999 13.522 2 H2 GLY 1 HT2 GLY 1 45.267 20.969 13.726 3 H3 GLY 1 HT3 GLY 1 44.580 20.541 12.233 4 HA2 GLY 1 HA1 GLY 1 44.895 23.160 13.459 5 HA3 GLY 1 HA2 GLY 1 45.299 22.631 11.832 6 H TRP 2 HN TRP 2 43.707 22.561 10.250 7 HA TRP 2 HA TRP 2 40.942 23.012 10.785 8 HB2 TRP 2 HB2 TRP 2 40.783 25.282 9.818 9 HB3 TRP 2 HB1 TRP 2 41.725 25.273 11.308 10 HD1 TRP 2 HD1 TRP 2 44.477 25.123 10.944 11 HE1 TRP 2 HE1 TRP 2 45.920 26.279 9.148 12 HE3 TRP 2 HE3 TRP 2 40.865 26.190 7.473 13 HZ2 TRP 2 HZ2 TRP 2 45.595 27.503 6.567 14 HZ3 TRP 2 HZ3 TRP 2 41.456 27.352 5.352 15 HH2 TRP 2 HH2 TRP 2 43.816 28.009 4.896 16 H GLY 3 HN GLY 3 42.201 21.097 9.294 17 HA2 GLY 3 HA1 GLY 3 42.307 20.132 7.213 18 HA3 GLY 3 HA2 GLY 3 40.848 21.064 6.900 19 H SER 4 HN SER 4 44.325 21.776 7.271 20 HA SER 4 HA SER 4 44.243 23.903 5.355 21 HB2 SER 4 HB2 SER 4 46.688 23.930 5.633 22 HB3 SER 4 HB1 SER 4 45.872 23.877 7.192 23 HG SER 4 HG SER 4 47.592 22.117 6.089 24 H PHE 5 HN PHE 5 43.519 23.158 3.384 25 HA PHE 5 HA PHE 5 43.556 22.067 1.356 26 HB2 PHE 5 HB2 PHE 5 46.552 22.061 1.756 27 HB3 PHE 5 HB1 PHE 5 45.662 22.124 0.234 28 HD1 PHE 5 HD1 PHE 5 44.394 24.169 -0.416 29 HD2 PHE 5 HD2 PHE 5 46.867 24.045 3.120 30 HE1 PHE 5 HE1 PHE 5 44.347 26.658 -0.295 31 HE2 PHE 5 HE2 PHE 5 46.821 26.533 3.240 32 HZ PHE 5 HZ PHE 5 45.543 27.838 1.546 33 H PHE 6 HN PHE 6 45.188 20.180 0.232 34 HA PHE 6 HA PHE 6 45.711 17.975 1.991 35 HB2 PHE 6 HB2 PHE 6 43.965 16.471 1.091 36 HB3 PHE 6 HB1 PHE 6 43.270 17.827 1.980 37 HD1 PHE 6 HD1 PHE 6 43.884 16.398 -1.386 38 HD2 PHE 6 HD2 PHE 6 42.017 19.585 0.848 39 HE1 PHE 6 HE1 PHE 6 42.594 17.064 -3.412 40 HE2 PHE 6 HE2 PHE 6 40.728 20.250 -1.179 41 HZ PHE 6 HZ PHE 6 40.975 18.953 -3.292 42 H ARG 7 HN ARG 7 45.619 19.501 -1.069 43 HA ARG 7 HA ARG 7 46.580 17.289 -2.637 44 HB2 ARG 7 HB2 ARG 7 45.343 19.211 -3.614 45 HB3 ARG 7 HB1 ARG 7 46.710 20.255 -3.229 46 HG2 ARG 7 HG2 ARG 7 48.165 19.032 -4.703 47 HG3 ARG 7 HG1 ARG 7 46.962 17.763 -4.931 48 HD2 ARG 7 HD2 ARG 7 46.613 20.654 -5.775 49 HD3 ARG 7 HD1 ARG 7 47.039 19.331 -6.858 50 HE ARG 7 HE ARG 7 44.647 18.640 -5.456 51 HH11 ARG 7 HH11 ARG 7 42.614 19.145 -6.342 52 HH12 ARG 7 HH12 ARG 7 42.541 20.017 -7.837 53 HH21 ARG 7 HH21 ARG 7 45.970 20.483 -8.040 54 HH22 ARG 7 HH22 ARG 7 44.441 20.774 -8.799 55 H ARG 8 HN ARG 8 47.998 19.517 -0.456 56 HA ARG 8 HA ARG 8 50.713 18.601 -1.228 57 HB2 ARG 8 HB2 ARG 8 50.007 21.422 -0.382 58 HB3 ARG 8 HB1 ARG 8 51.600 20.823 -0.845 59 HG2 ARG 8 HG2 ARG 8 50.713 20.279 -3.105 60 HG3 ARG 8 HG1 ARG 8 49.156 20.966 -2.636 61 HD2 ARG 8 HD2 ARG 8 50.344 23.128 -2.133 62 HD3 ARG 8 HD1 ARG 8 51.806 22.422 -2.820 63 HE ARG 8 HE ARG 8 49.725 22.126 -4.730 64 HH11 ARG 8 HH11 ARG 8 50.007 24.954 -3.085 65 HH12 ARG 8 HH12 ARG 8 50.594 25.910 -4.405 66 HH21 ARG 8 HH21 ARG 8 51.163 23.185 -6.473 67 HH22 ARG 8 HH22 ARG 8 51.251 24.908 -6.322 68 H ALA 9 HN ALA 9 49.231 17.364 0.717 69 HA ALA 9 HA ALA 9 50.914 17.684 3.009 70 HB1 ALA 9 HB1 ALA 9 49.190 18.313 4.615 71 HB2 ALA 9 HB2 ALA 9 48.003 18.441 3.316 72 HB3 ALA 9 HB3 ALA 9 49.362 19.564 3.384 73 H ALA 10 HN ALA 10 47.501 16.727 2.915 74 HA ALA 10 HA ALA 10 48.146 14.104 3.958 75 HB1 ALA 10 HB1 ALA 10 45.552 15.396 3.110 76 HB2 ALA 10 HB2 ALA 10 46.147 15.170 4.755 77 HB3 ALA 10 HB3 ALA 10 45.668 13.773 3.791 78 H HIS 11 HN HIS 11 49.392 14.476 1.496 79 HA HIS 11 HA HIS 11 48.415 12.198 0.048 80 HB2 HIS 11 HB2 HIS 11 46.858 13.916 -0.801 81 HB3 HIS 11 HB1 HIS 11 48.231 14.905 -1.299 82 HD1 HIS 11 HD1 HIS 11 49.785 13.891 -3.208 83 HD2 HIS 11 HD2 HIS 11 46.203 11.853 -2.577 84 HE1 HIS 11 HE1 HIS 11 49.456 12.384 -5.218 85 H VAL 12 HN VAL 12 50.294 15.188 -0.509 86 HA VAL 12 HA VAL 12 52.233 14.158 -2.192 87 HB VAL 12 HB VAL 12 52.063 16.561 -1.680 88 HG11 VAL 12 HG11 VAL 12 53.300 15.849 0.997 89 HG12 VAL 12 HG12 VAL 12 51.599 16.247 0.765 90 HG13 VAL 12 HG13 VAL 12 52.840 17.457 0.437 91 HG21 VAL 12 HG21 VAL 12 54.227 15.489 -2.490 92 HG22 VAL 12 HG22 VAL 12 54.785 15.538 -0.819 93 HG23 VAL 12 HG23 VAL 12 54.419 17.038 -1.670 94 H GLY 13 HN GLY 13 54.399 13.449 -1.832 95 HA2 GLY 13 HA1 GLY 13 56.118 12.382 -0.717 96 HA3 GLY 13 HA2 GLY 13 55.271 12.658 0.799 97 H ARG 14 HN ARG 14 52.812 11.397 0.051 98 HA ARG 14 HA ARG 14 53.524 8.666 0.614 99 HB2 ARG 14 HB2 ARG 14 50.821 9.857 -0.050 100 HB3 ARG 14 HB1 ARG 14 51.115 8.273 0.666 101 HG2 ARG 14 HG2 ARG 14 52.214 9.375 2.603 102 HG3 ARG 14 HG1 ARG 14 51.837 10.948 1.899 103 HD2 ARG 14 HD2 ARG 14 50.128 10.407 3.543 104 HD3 ARG 14 HD1 ARG 14 49.412 10.324 1.934 105 HE ARG 14 HE ARG 14 49.100 8.006 2.251 106 HH11 ARG 14 HH11 ARG 14 50.294 6.039 2.889 107 HH12 ARG 14 HH12 ARG 14 50.889 6.013 4.516 108 HH21 ARG 14 HH21 ARG 14 50.328 9.391 5.058 109 HH22 ARG 14 HH22 ARG 14 50.908 7.910 5.743 110 H HIS 15 HN HIS 15 52.638 10.493 -2.226 111 HA HIS 15 HA HIS 15 52.005 8.207 -3.861 112 HB2 HIS 15 HB2 HIS 15 51.115 10.491 -4.303 113 HB3 HIS 15 HB1 HIS 15 52.748 11.015 -4.714 114 HD1 HIS 15 HD1 HIS 15 52.218 7.579 -5.760 115 HD2 HIS 15 HD2 HIS 15 51.524 11.339 -7.415 116 HE1 HIS 15 HE1 HIS 15 51.827 7.211 -8.234 117 H VAL 16 HN VAL 16 54.576 8.090 -2.470 118 HA VAL 16 HA VAL 16 56.174 7.102 -4.596 119 HB VAL 16 HB VAL 16 56.597 9.495 -5.030 120 HG11 VAL 16 HG11 VAL 16 57.637 10.911 -3.364 121 HG12 VAL 16 HG12 VAL 16 57.752 9.569 -2.225 122 HG13 VAL 16 HG13 VAL 16 56.174 10.224 -2.660 123 HG21 VAL 16 HG21 VAL 16 59.020 8.237 -3.709 124 HG22 VAL 16 HG22 VAL 16 59.000 9.366 -5.063 125 HG23 VAL 16 HG23 VAL 16 58.400 7.722 -5.277 126 H GLY 17 HN GLY 17 55.936 8.251 -1.288 127 HA2 GLY 17 HA1 GLY 17 58.249 6.858 -0.332 128 HA3 GLY 17 HA2 GLY 17 56.990 7.594 0.652 129 H ARG 18 HN ARG 18 54.767 6.196 -0.344 130 HA ARG 18 HA ARG 18 55.189 3.368 -0.281 131 HB2 ARG 18 HB2 ARG 18 55.634 3.959 2.109 132 HB3 ARG 18 HB1 ARG 18 53.989 4.588 2.213 133 HG2 ARG 18 HG2 ARG 18 53.067 2.403 1.663 134 HG3 ARG 18 HG1 ARG 18 54.686 1.751 1.405 135 HD2 ARG 18 HD2 ARG 18 53.856 1.128 3.636 136 HD3 ARG 18 HD1 ARG 18 55.242 2.210 3.772 137 HE ARG 18 HE ARG 18 52.824 3.751 3.778 138 HH11 ARG 18 HH11 ARG 18 51.411 3.148 5.732 139 HH12 ARG 18 HH12 ARG 18 52.298 3.072 7.218 140 HH21 ARG 18 HH21 ARG 18 55.400 2.972 5.669 141 HH22 ARG 18 HH22 ARG 18 54.557 2.974 7.182 142 H ALA 19 HN ALA 19 53.869 3.930 -2.189 143 HA ALA 19 HA ALA 19 51.216 4.921 -1.927 144 HB1 ALA 19 HB1 ALA 19 50.933 4.266 -4.213 145 HB2 ALA 19 HB2 ALA 19 52.289 3.144 -4.115 146 HB3 ALA 19 HB3 ALA 19 52.576 4.881 -4.037 147 H ALA 20 HN ALA 20 49.474 3.944 -1.141 148 HA ALA 20 HA ALA 20 49.532 1.200 -0.306 149 HB1 ALA 20 HB1 ALA 20 48.281 3.047 0.851 150 HB2 ALA 20 HB2 ALA 20 47.326 1.598 0.533 151 HB3 ALA 20 HB3 ALA 20 47.134 3.022 -0.490 152 H LEU 21 HN LEU 21 48.975 2.673 -3.263 153 HA LEU 21 HA LEU 21 46.866 1.091 -4.315 154 HB2 LEU 21 HB2 LEU 21 49.142 2.226 -5.947 155 HB3 LEU 21 HB1 LEU 21 47.465 1.977 -6.432 156 HG LEU 21 HG LEU 21 48.475 3.992 -4.402 157 HD11 LEU 21 HD11 LEU 21 48.878 4.626 -6.738 158 HD12 LEU 21 HD12 LEU 21 47.599 5.625 -6.050 159 HD13 LEU 21 HD13 LEU 21 47.192 4.294 -7.135 160 HD21 LEU 21 HD21 LEU 21 46.013 4.743 -4.512 161 HD22 LEU 21 HD22 LEU 21 46.343 3.273 -3.602 162 HD23 LEU 21 HD23 LEU 21 45.679 3.169 -5.233 163 H THR 22 HN THR 22 50.397 0.740 -4.384 164 HA THR 22 HA THR 22 50.185 -2.136 -4.544 165 HB THR 22 HB THR 22 49.919 -1.672 -6.921 166 HG1 THR 22 HG1 THR 22 51.496 -3.285 -6.101 167 HG21 THR 22 HG21 THR 22 51.565 -0.339 -8.152 168 HG22 THR 22 HG22 THR 22 52.460 -0.040 -6.662 169 HG23 THR 22 HG23 THR 22 50.842 0.630 -6.868 170 H HIS 23 HN HIS 23 52.364 -3.153 -4.540 171 HA HIS 23 HA HIS 23 54.695 -1.580 -4.057 172 HB2 HIS 23 HB2 HIS 23 54.975 -1.993 -1.680 173 HB3 HIS 23 HB1 HIS 23 53.447 -1.156 -1.942 174 HD1 HIS 23 HD1 HIS 23 54.502 -3.532 0.247 175 HD2 HIS 23 HD2 HIS 23 51.490 -3.682 -2.631 176 HE1 HIS 23 HE1 HIS 23 52.920 -5.375 0.961 177 H TYR 24 HN TYR 24 55.633 -3.643 -2.048 178 HA TYR 24 HA TYR 24 56.955 -5.379 -3.765 179 HB2 TYR 24 HB2 TYR 24 56.160 -5.954 -0.901 180 HB3 TYR 24 HB1 TYR 24 57.484 -6.702 -1.795 181 HD1 TYR 24 HD1 TYR 24 56.292 -3.615 -0.146 182 HD2 TYR 24 HD2 TYR 24 59.544 -5.471 -2.295 183 HE1 TYR 24 HE1 TYR 24 57.801 -1.748 0.522 184 HE2 TYR 24 HE2 TYR 24 61.051 -3.603 -1.626 185 HH TYR 24 HH TYR 24 60.411 -0.913 -0.932 186 H LEU 25 HN LEU 25 56.712 -7.872 -3.562 187 HA LEU 25 HA LEU 25 54.217 -8.573 -4.758 188 HB2 LEU 25 HB2 LEU 25 56.630 -10.138 -3.838 189 HB3 LEU 25 HB1 LEU 25 55.190 -10.966 -4.427 190 HG LEU 25 HG LEU 25 55.331 -9.687 -6.545 191 HD11 LEU 25 HD11 LEU 25 57.589 -8.504 -6.938 192 HD12 LEU 25 HD12 LEU 25 57.765 -8.509 -5.184 193 HD13 LEU 25 HD13 LEU 25 56.413 -7.660 -5.934 194 HD21 LEU 25 HD21 LEU 25 56.426 -11.897 -6.334 195 HD22 LEU 25 HD22 LEU 25 57.903 -11.109 -5.781 196 HD23 LEU 25 HD23 LEU 25 57.325 -10.843 -7.425 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 41.690 28.198 1.022 2 H2 GLY 1 HT2 GLY 1 43.082 28.853 1.742 3 H3 GLY 1 HT3 GLY 1 41.542 29.263 2.331 4 HA2 GLY 1 HA1 GLY 1 42.675 26.556 2.357 5 HA3 GLY 1 HA2 GLY 1 42.731 27.671 3.714 6 H TRP 2 HN TRP 2 41.027 25.183 2.319 7 HA TRP 2 HA TRP 2 38.362 25.962 3.165 8 HB2 TRP 2 HB2 TRP 2 38.786 24.468 1.204 9 HB3 TRP 2 HB1 TRP 2 39.386 23.240 2.319 10 HD1 TRP 2 HD1 TRP 2 37.649 21.667 3.316 11 HE1 TRP 2 HE1 TRP 2 35.075 21.619 3.463 12 HE3 TRP 2 HE3 TRP 2 36.577 26.274 1.358 13 HZ2 TRP 2 HZ2 TRP 2 32.840 23.313 2.833 14 HZ3 TRP 2 HZ3 TRP 2 34.217 27.037 1.143 15 HH2 TRP 2 HH2 TRP 2 32.350 25.563 1.878 16 H GLY 3 HN GLY 3 40.996 23.936 4.339 17 HA2 GLY 3 HA1 GLY 3 40.566 24.172 7.016 18 HA3 GLY 3 HA2 GLY 3 39.501 22.854 6.547 19 H SER 4 HN SER 4 42.231 23.087 4.567 20 HA SER 4 HA SER 4 44.038 21.699 4.271 21 HB2 SER 4 HB2 SER 4 45.521 21.502 6.109 22 HB3 SER 4 HB1 SER 4 44.671 23.022 6.370 23 HG SER 4 HG SER 4 44.855 21.138 8.075 24 H PHE 5 HN PHE 5 45.040 19.515 5.245 25 HA PHE 5 HA PHE 5 43.013 17.649 6.196 26 HB2 PHE 5 HB2 PHE 5 44.343 17.120 3.531 27 HB3 PHE 5 HB1 PHE 5 43.052 16.197 4.300 28 HD1 PHE 5 HD1 PHE 5 43.879 19.154 2.299 29 HD2 PHE 5 HD2 PHE 5 40.753 17.160 4.509 30 HE1 PHE 5 HE1 PHE 5 42.175 20.596 1.191 31 HE2 PHE 5 HE2 PHE 5 39.050 18.603 3.401 32 HZ PHE 5 HZ PHE 5 39.757 20.290 1.710 33 H PHE 6 HN PHE 6 44.710 15.475 4.908 34 HA PHE 6 HA PHE 6 47.300 15.716 6.195 35 HB2 PHE 6 HB2 PHE 6 45.248 13.744 7.237 36 HB3 PHE 6 HB1 PHE 6 46.955 13.766 7.680 37 HD1 PHE 6 HD1 PHE 6 43.685 15.335 8.171 38 HD2 PHE 6 HD2 PHE 6 47.921 15.724 8.913 39 HE1 PHE 6 HE1 PHE 6 43.223 17.054 9.916 40 HE2 PHE 6 HE2 PHE 6 47.457 17.443 10.657 41 HZ PHE 6 HZ PHE 6 45.113 18.151 11.114 42 H ARG 7 HN ARG 7 44.976 14.075 4.237 43 HA ARG 7 HA ARG 7 46.515 11.773 3.580 44 HB2 ARG 7 HB2 ARG 7 44.033 12.056 3.218 45 HB3 ARG 7 HB1 ARG 7 44.418 13.110 1.859 46 HG2 ARG 7 HG2 ARG 7 45.622 11.313 0.744 47 HG3 ARG 7 HG1 ARG 7 45.402 10.255 2.137 48 HD2 ARG 7 HD2 ARG 7 42.960 10.341 1.828 49 HD3 ARG 7 HD1 ARG 7 43.169 11.410 0.442 50 HE ARG 7 HE ARG 7 44.710 9.106 -0.080 51 HH11 ARG 7 HH11 ARG 7 42.063 10.429 -1.307 52 HH12 ARG 7 HH12 ARG 7 41.126 8.985 -1.501 53 HH21 ARG 7 HH21 ARG 7 43.235 7.038 0.444 54 HH22 ARG 7 HH22 ARG 7 41.790 7.065 -0.510 55 H ARG 8 HN ARG 8 46.654 15.074 2.588 56 HA ARG 8 HA ARG 8 49.045 14.648 1.088 57 HB2 ARG 8 HB2 ARG 8 48.094 15.524 -1.094 58 HB3 ARG 8 HB1 ARG 8 47.619 13.879 -0.673 59 HG2 ARG 8 HG2 ARG 8 45.474 14.632 0.147 60 HG3 ARG 8 HG1 ARG 8 45.948 16.323 -0.030 61 HD2 ARG 8 HD2 ARG 8 44.554 15.704 -1.925 62 HD3 ARG 8 HD1 ARG 8 46.208 15.939 -2.491 63 HE ARG 8 HE ARG 8 45.818 13.182 -1.813 64 HH11 ARG 8 HH11 ARG 8 47.161 13.230 -4.179 65 HH12 ARG 8 HH12 ARG 8 45.989 13.150 -5.451 66 HH21 ARG 8 HH21 ARG 8 43.337 14.095 -3.426 67 HH22 ARG 8 HH22 ARG 8 43.822 13.638 -5.025 68 H ALA 9 HN ALA 9 47.935 16.310 3.258 69 HA ALA 9 HA ALA 9 47.511 18.967 2.424 70 HB1 ALA 9 HB1 ALA 9 48.690 17.908 4.995 71 HB2 ALA 9 HB2 ALA 9 46.986 18.232 4.679 72 HB3 ALA 9 HB3 ALA 9 48.141 19.563 4.740 73 H ALA 10 HN ALA 10 48.905 19.908 1.039 74 HA ALA 10 HA ALA 10 50.854 20.758 0.170 75 HB1 ALA 10 HB1 ALA 10 50.825 22.115 2.157 76 HB2 ALA 10 HB2 ALA 10 52.484 21.588 1.874 77 HB3 ALA 10 HB3 ALA 10 51.509 20.804 3.117 78 H HIS 11 HN HIS 11 50.680 17.997 0.002 79 HA HIS 11 HA HIS 11 51.939 16.099 -0.321 80 HB2 HIS 11 HB2 HIS 11 54.274 18.014 -0.462 81 HB3 HIS 11 HB1 HIS 11 54.128 16.435 -1.235 82 HD1 HIS 11 HD1 HIS 11 54.366 19.485 -2.532 83 HD2 HIS 11 HD2 HIS 11 51.052 16.958 -2.500 84 HE1 HIS 11 HE1 HIS 11 52.904 20.195 -4.475 85 H VAL 12 HN VAL 12 51.477 15.566 1.961 86 HA VAL 12 HA VAL 12 53.257 16.145 4.070 87 HB VAL 12 HB VAL 12 52.250 14.165 5.201 88 HG11 VAL 12 HG11 VAL 12 49.911 15.017 5.158 89 HG12 VAL 12 HG12 VAL 12 50.313 15.987 3.740 90 HG13 VAL 12 HG13 VAL 12 51.092 16.321 5.286 91 HG21 VAL 12 HG21 VAL 12 51.994 12.644 3.345 92 HG22 VAL 12 HG22 VAL 12 50.987 13.796 2.468 93 HG23 VAL 12 HG23 VAL 12 50.373 13.021 3.930 94 H GLY 13 HN GLY 13 53.192 13.560 1.666 95 HA2 GLY 13 HA1 GLY 13 55.898 13.102 1.554 96 HA3 GLY 13 HA2 GLY 13 55.319 12.050 2.838 97 H ARG 14 HN ARG 14 55.330 12.682 -0.581 98 HA ARG 14 HA ARG 14 53.473 10.627 -1.310 99 HB2 ARG 14 HB2 ARG 14 54.005 12.545 -2.785 100 HB3 ARG 14 HB1 ARG 14 55.646 11.927 -2.969 101 HG2 ARG 14 HG2 ARG 14 54.845 9.909 -4.026 102 HG3 ARG 14 HG1 ARG 14 53.170 10.329 -3.668 103 HD2 ARG 14 HD2 ARG 14 53.288 12.261 -5.145 104 HD3 ARG 14 HD1 ARG 14 55.006 11.978 -5.429 105 HE ARG 14 HE ARG 14 52.856 10.650 -6.797 106 HH11 ARG 14 HH11 ARG 14 53.234 8.625 -7.781 107 HH12 ARG 14 HH12 ARG 14 54.836 7.969 -7.750 108 HH21 ARG 14 HH21 ARG 14 56.105 10.469 -5.708 109 HH22 ARG 14 HH22 ARG 14 56.463 9.013 -6.576 110 H HIS 15 HN HIS 15 56.799 10.688 -0.416 111 HA HIS 15 HA HIS 15 57.827 8.470 -1.765 112 HB2 HIS 15 HB2 HIS 15 58.423 9.426 1.046 113 HB3 HIS 15 HB1 HIS 15 59.412 8.289 0.130 114 HD1 HIS 15 HD1 HIS 15 57.899 10.945 -1.914 115 HD2 HIS 15 HD2 HIS 15 61.415 10.478 0.271 116 HE1 HIS 15 HE1 HIS 15 59.492 12.738 -2.728 117 H VAL 16 HN VAL 16 57.197 8.227 1.704 118 HA VAL 16 HA VAL 16 56.668 5.442 1.575 119 HB VAL 16 HB VAL 16 57.521 6.507 3.628 120 HG11 VAL 16 HG11 VAL 16 56.195 8.621 3.351 121 HG12 VAL 16 HG12 VAL 16 56.116 7.947 4.978 122 HG13 VAL 16 HG13 VAL 16 54.760 7.738 3.871 123 HG21 VAL 16 HG21 VAL 16 54.749 5.390 4.139 124 HG22 VAL 16 HG22 VAL 16 56.161 5.286 5.189 125 HG23 VAL 16 HG23 VAL 16 56.120 4.383 3.675 126 H GLY 17 HN GLY 17 54.678 8.244 1.193 127 HA2 GLY 17 HA1 GLY 17 52.171 7.332 1.937 128 HA3 GLY 17 HA2 GLY 17 52.468 8.473 0.632 129 H ARG 18 HN ARG 18 53.252 7.421 -1.455 130 HA ARG 18 HA ARG 18 51.337 5.370 -2.184 131 HB2 ARG 18 HB2 ARG 18 53.491 6.728 -3.823 132 HB3 ARG 18 HB1 ARG 18 52.194 5.715 -4.456 133 HG2 ARG 18 HG2 ARG 18 50.537 7.298 -3.434 134 HG3 ARG 18 HG1 ARG 18 51.883 8.350 -2.993 135 HD2 ARG 18 HD2 ARG 18 52.537 8.452 -5.402 136 HD3 ARG 18 HD1 ARG 18 51.099 7.511 -5.799 137 HE ARG 18 HE ARG 18 50.246 9.743 -4.279 138 HH11 ARG 18 HH11 ARG 18 51.276 8.737 -7.390 139 HH12 ARG 18 HH12 ARG 18 50.870 10.234 -8.165 140 HH21 ARG 18 HH21 ARG 18 49.927 11.806 -5.221 141 HH22 ARG 18 HH22 ARG 18 50.106 11.971 -6.937 142 H ALA 19 HN ALA 19 54.808 5.619 -1.658 143 HA ALA 19 HA ALA 19 56.482 4.043 -1.644 144 HB1 ALA 19 HB1 ALA 19 54.226 2.163 -0.941 145 HB2 ALA 19 HB2 ALA 19 55.010 3.245 0.209 146 HB3 ALA 19 HB3 ALA 19 55.937 1.960 -0.564 147 H ALA 20 HN ALA 20 55.777 1.123 -2.198 148 HA ALA 20 HA ALA 20 55.033 1.070 -4.997 149 HB1 ALA 20 HB1 ALA 20 57.218 0.066 -5.699 150 HB2 ALA 20 HB2 ALA 20 57.883 0.554 -4.140 151 HB3 ALA 20 HB3 ALA 20 57.314 1.775 -5.278 152 H LEU 21 HN LEU 21 56.838 -0.772 -2.523 153 HA LEU 21 HA LEU 21 55.834 -3.301 -3.423 154 HB2 LEU 21 HB2 LEU 21 56.970 -2.744 -0.680 155 HB3 LEU 21 HB1 LEU 21 57.033 -4.242 -1.607 156 HG LEU 21 HG LEU 21 58.452 -1.651 -2.301 157 HD11 LEU 21 HD11 LEU 21 60.489 -2.971 -1.849 158 HD12 LEU 21 HD12 LEU 21 59.493 -4.355 -1.401 159 HD13 LEU 21 HD13 LEU 21 59.458 -2.889 -0.420 160 HD21 LEU 21 HD21 LEU 21 59.552 -3.201 -4.042 161 HD22 LEU 21 HD22 LEU 21 57.898 -2.695 -4.375 162 HD23 LEU 21 HD23 LEU 21 58.213 -4.310 -3.737 163 H THR 22 HN THR 22 53.533 -2.533 -3.454 164 HA THR 22 HA THR 22 52.149 -3.590 -1.173 165 HB THR 22 HB THR 22 51.687 -0.650 -1.743 166 HG1 THR 22 HG1 THR 22 52.982 -0.208 -0.097 167 HG21 THR 22 HG21 THR 22 50.400 -0.784 0.367 168 HG22 THR 22 HG22 THR 22 50.748 -2.511 0.458 169 HG23 THR 22 HG23 THR 22 49.756 -1.880 -0.856 170 H HIS 23 HN HIS 23 51.803 -1.441 -3.995 171 HA HIS 23 HA HIS 23 49.124 -2.107 -4.578 172 HB2 HIS 23 HB2 HIS 23 51.308 -1.201 -6.470 173 HB3 HIS 23 HB1 HIS 23 49.575 -1.155 -6.794 174 HD1 HIS 23 HD1 HIS 23 50.625 -0.344 -3.334 175 HD2 HIS 23 HD2 HIS 23 49.865 1.761 -6.849 176 HE1 HIS 23 HE1 HIS 23 50.360 2.086 -2.670 177 H TYR 24 HN TYR 24 48.973 -4.389 -4.356 178 HA TYR 24 HA TYR 24 50.524 -6.267 -5.757 179 HB2 TYR 24 HB2 TYR 24 47.644 -6.450 -4.843 180 HB3 TYR 24 HB1 TYR 24 48.633 -7.816 -5.363 181 HD1 TYR 24 HD1 TYR 24 50.528 -8.610 -4.009 182 HD2 TYR 24 HD2 TYR 24 48.064 -5.312 -2.714 183 HE1 TYR 24 HE1 TYR 24 51.488 -8.793 -1.717 184 HE2 TYR 24 HE2 TYR 24 49.026 -5.494 -0.422 185 HH TYR 24 HH TYR 24 51.616 -6.507 0.326 186 H LEU 25 HN LEU 25 50.406 -7.129 -7.772 187 HA LEU 25 HA LEU 25 49.810 -7.393 -9.971 188 HB2 LEU 25 HB2 LEU 25 47.504 -7.738 -8.729 189 HB3 LEU 25 HB1 LEU 25 47.101 -6.178 -9.435 190 HG LEU 25 HG LEU 25 47.971 -8.671 -10.934 191 HD11 LEU 25 HD11 LEU 25 45.361 -7.126 -10.958 192 HD12 LEU 25 HD12 LEU 25 45.628 -8.636 -10.088 193 HD13 LEU 25 HD13 LEU 25 45.709 -8.609 -11.849 194 HD21 LEU 25 HD21 LEU 25 48.888 -6.850 -12.164 195 HD22 LEU 25 HD22 LEU 25 47.493 -5.819 -11.840 196 HD23 LEU 25 HD23 LEU 25 47.347 -7.179 -12.952 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 42.846 14.204 9.648 2 H2 GLY 1 HT2 GLY 1 43.225 13.377 8.213 3 H3 GLY 1 HT3 GLY 1 42.557 14.939 8.149 4 HA2 GLY 1 HA1 GLY 1 45.255 14.077 8.671 5 HA3 GLY 1 HA2 GLY 1 44.662 15.500 7.826 6 H TRP 2 HN TRP 2 46.453 16.458 9.154 7 HA TRP 2 HA TRP 2 45.331 17.905 11.344 8 HB2 TRP 2 HB2 TRP 2 45.802 15.775 12.510 9 HB3 TRP 2 HB1 TRP 2 47.493 15.894 12.021 10 HD1 TRP 2 HD1 TRP 2 44.873 17.883 14.043 11 HE1 TRP 2 HE1 TRP 2 46.103 19.211 15.878 12 HE3 TRP 2 HE3 TRP 2 49.717 16.741 12.845 13 HZ2 TRP 2 HZ2 TRP 2 48.797 19.729 16.738 14 HZ3 TRP 2 HZ3 TRP 2 51.601 17.664 14.187 15 HH2 TRP 2 HH2 TRP 2 51.146 19.155 16.130 16 H GLY 3 HN GLY 3 47.254 17.677 8.803 17 HA2 GLY 3 HA1 GLY 3 48.544 20.146 9.191 18 HA3 GLY 3 HA2 GLY 3 49.700 18.852 9.483 19 H SER 4 HN SER 4 48.882 16.982 7.618 20 HA SER 4 HA SER 4 50.089 17.992 5.244 21 HB2 SER 4 HB2 SER 4 50.283 15.635 5.884 22 HB3 SER 4 HB1 SER 4 48.542 15.432 5.717 23 HG SER 4 HG SER 4 50.092 14.917 3.866 24 H PHE 5 HN PHE 5 46.805 16.670 5.746 25 HA PHE 5 HA PHE 5 45.746 17.548 3.304 26 HB2 PHE 5 HB2 PHE 5 44.678 15.881 4.826 27 HB3 PHE 5 HB1 PHE 5 44.241 17.205 5.908 28 HD1 PHE 5 HD1 PHE 5 43.694 15.722 2.549 29 HD2 PHE 5 HD2 PHE 5 42.474 18.779 5.341 30 HE1 PHE 5 HE1 PHE 5 41.681 16.190 1.156 31 HE2 PHE 5 HE2 PHE 5 40.461 19.247 3.948 32 HZ PHE 5 HZ PHE 5 40.042 17.922 1.880 33 H PHE 6 HN PHE 6 46.288 19.666 2.836 34 HA PHE 6 HA PHE 6 44.554 21.684 3.865 35 HB2 PHE 6 HB2 PHE 6 46.251 21.518 5.717 36 HB3 PHE 6 HB1 PHE 6 47.481 22.015 4.556 37 HD1 PHE 6 HD1 PHE 6 47.429 24.277 3.533 38 HD2 PHE 6 HD2 PHE 6 44.590 23.088 6.560 39 HE1 PHE 6 HE1 PHE 6 46.803 26.663 3.883 40 HE2 PHE 6 HE2 PHE 6 43.963 25.475 6.909 41 HZ PHE 6 HZ PHE 6 45.044 27.259 5.544 42 H ARG 7 HN ARG 7 47.520 20.869 2.140 43 HA ARG 7 HA ARG 7 47.747 23.217 0.593 44 HB2 ARG 7 HB2 ARG 7 48.523 20.433 -0.299 45 HB3 ARG 7 HB1 ARG 7 49.228 21.965 -0.815 46 HG2 ARG 7 HG2 ARG 7 49.343 20.839 2.002 47 HG3 ARG 7 HG1 ARG 7 50.669 20.829 0.841 48 HD2 ARG 7 HD2 ARG 7 50.310 23.414 0.743 49 HD3 ARG 7 HD1 ARG 7 49.427 23.187 2.255 50 HE ARG 7 HE ARG 7 51.491 22.800 3.330 51 HH11 ARG 7 HH11 ARG 7 52.262 24.028 0.412 52 HH12 ARG 7 HH12 ARG 7 53.754 23.177 0.196 53 HH21 ARG 7 HH21 ARG 7 53.207 21.008 2.846 54 HH22 ARG 7 HH22 ARG 7 54.289 21.466 1.572 55 H ARG 8 HN ARG 8 46.503 20.029 -0.437 56 HA ARG 8 HA ARG 8 45.036 19.457 -2.117 57 HB2 ARG 8 HB2 ARG 8 43.666 21.985 -1.167 58 HB3 ARG 8 HB1 ARG 8 42.915 20.686 -2.093 59 HG2 ARG 8 HG2 ARG 8 43.224 19.117 -0.291 60 HG3 ARG 8 HG1 ARG 8 44.226 20.261 0.604 61 HD2 ARG 8 HD2 ARG 8 41.870 20.137 1.453 62 HD3 ARG 8 HD1 ARG 8 42.338 21.752 0.923 63 HE ARG 8 HE ARG 8 41.156 20.438 -1.295 64 HH11 ARG 8 HH11 ARG 8 39.043 19.328 0.093 65 HH12 ARG 8 HH12 ARG 8 37.969 20.627 0.491 66 HH21 ARG 8 HH21 ARG 8 40.343 23.101 -0.025 67 HH22 ARG 8 HH22 ARG 8 38.704 22.763 0.424 68 H ALA 9 HN ALA 9 47.309 21.040 -2.915 69 HA ALA 9 HA ALA 9 46.423 21.801 -5.538 70 HB1 ALA 9 HB1 ALA 9 47.489 23.980 -3.734 71 HB2 ALA 9 HB2 ALA 9 45.809 23.822 -4.247 72 HB3 ALA 9 HB3 ALA 9 47.068 24.142 -5.439 73 H ALA 10 HN ALA 10 48.411 20.134 -3.983 74 HA ALA 10 HA ALA 10 50.583 20.385 -5.814 75 HB1 ALA 10 HB1 ALA 10 52.323 21.104 -4.343 76 HB2 ALA 10 HB2 ALA 10 51.238 21.082 -2.953 77 HB3 ALA 10 HB3 ALA 10 51.023 22.288 -4.220 78 H HIS 11 HN HIS 11 52.477 19.332 -3.729 79 HA HIS 11 HA HIS 11 51.814 16.555 -4.034 80 HB2 HIS 11 HB2 HIS 11 53.994 17.860 -2.385 81 HB3 HIS 11 HB1 HIS 11 53.900 16.152 -2.814 82 HD1 HIS 11 HD1 HIS 11 52.699 18.152 -5.577 83 HD2 HIS 11 HD2 HIS 11 56.468 17.024 -4.200 84 HE1 HIS 11 HE1 HIS 11 54.294 18.466 -7.518 85 H VAL 12 HN VAL 12 49.658 17.005 -2.866 86 HA VAL 12 HA VAL 12 49.410 17.492 -0.155 87 HB VAL 12 HB VAL 12 47.806 15.394 -1.645 88 HG11 VAL 12 HG11 VAL 12 47.213 17.216 0.707 89 HG12 VAL 12 HG12 VAL 12 47.383 15.461 0.754 90 HG13 VAL 12 HG13 VAL 12 46.017 16.193 -0.088 91 HG21 VAL 12 HG21 VAL 12 47.532 18.415 -1.583 92 HG22 VAL 12 HG22 VAL 12 46.285 17.324 -2.184 93 HG23 VAL 12 HG23 VAL 12 47.846 17.413 -2.999 94 H GLY 13 HN GLY 13 49.268 14.184 -1.489 95 HA2 GLY 13 HA1 GLY 13 51.324 12.997 -0.113 96 HA3 GLY 13 HA2 GLY 13 49.985 13.020 1.027 97 H ARG 14 HN ARG 14 49.407 12.755 -2.396 98 HA ARG 14 HA ARG 14 47.962 10.309 -2.063 99 HB2 ARG 14 HB2 ARG 14 48.854 11.775 -4.557 100 HB3 ARG 14 HB1 ARG 14 47.757 10.395 -4.544 101 HG2 ARG 14 HG2 ARG 14 46.181 11.636 -3.125 102 HG3 ARG 14 HG1 ARG 14 47.283 13.014 -3.091 103 HD2 ARG 14 HD2 ARG 14 45.448 13.261 -4.782 104 HD3 ARG 14 HD1 ARG 14 47.060 13.317 -5.493 105 HE ARG 14 HE ARG 14 46.107 10.616 -5.533 106 HH11 ARG 14 HH11 ARG 14 45.395 9.790 -7.511 107 HH12 ARG 14 HH12 ARG 14 44.914 10.881 -8.768 108 HH21 ARG 14 HH21 ARG 14 45.581 13.732 -6.912 109 HH22 ARG 14 HH22 ARG 14 45.021 13.112 -8.430 110 H HIS 15 HN HIS 15 51.247 11.090 -2.710 111 HA HIS 15 HA HIS 15 51.981 8.711 -4.105 112 HB2 HIS 15 HB2 HIS 15 53.711 10.540 -2.423 113 HB3 HIS 15 HB1 HIS 15 54.275 9.378 -3.624 114 HD1 HIS 15 HD1 HIS 15 52.665 9.837 -6.037 115 HD2 HIS 15 HD2 HIS 15 53.859 13.018 -3.625 116 HE1 HIS 15 HE1 HIS 15 52.513 11.918 -7.470 117 H VAL 16 HN VAL 16 52.552 9.728 -0.726 118 HA VAL 16 HA VAL 16 53.346 7.076 0.077 119 HB VAL 16 HB VAL 16 52.591 9.403 1.866 120 HG11 VAL 16 HG11 VAL 16 52.752 7.268 3.028 121 HG12 VAL 16 HG12 VAL 16 54.169 8.241 3.422 122 HG13 VAL 16 HG13 VAL 16 54.300 6.927 2.253 123 HG21 VAL 16 HG21 VAL 16 54.973 9.983 1.841 124 HG22 VAL 16 HG22 VAL 16 54.335 10.031 0.197 125 HG23 VAL 16 HG23 VAL 16 55.306 8.657 0.727 126 H GLY 17 HN GLY 17 50.471 9.113 0.509 127 HA2 GLY 17 HA1 GLY 17 49.009 7.532 2.244 128 HA3 GLY 17 HA2 GLY 17 48.302 8.572 1.014 129 H ARG 18 HN ARG 18 49.149 7.337 -1.303 130 HA ARG 18 HA ARG 18 47.299 5.161 -1.472 131 HB2 ARG 18 HB2 ARG 18 47.827 6.781 -3.332 132 HB3 ARG 18 HB1 ARG 18 49.379 5.962 -3.516 133 HG2 ARG 18 HG2 ARG 18 48.229 3.835 -3.947 134 HG3 ARG 18 HG1 ARG 18 46.666 4.622 -3.722 135 HD2 ARG 18 HD2 ARG 18 47.035 4.534 -6.087 136 HD3 ARG 18 HD1 ARG 18 47.330 6.205 -5.607 137 HE ARG 18 HE ARG 18 49.578 5.915 -6.251 138 HH11 ARG 18 HH11 ARG 18 48.037 3.252 -7.347 139 HH12 ARG 18 HH12 ARG 18 49.359 2.146 -7.173 140 HH21 ARG 18 HH21 ARG 18 51.293 4.335 -5.306 141 HH22 ARG 18 HH22 ARG 18 51.202 2.759 -6.016 142 H ALA 19 HN ALA 19 50.764 5.210 -2.332 143 HA ALA 19 HA ALA 19 51.118 2.440 -2.340 144 HB1 ALA 19 HB1 ALA 19 53.168 4.551 -1.659 145 HB2 ALA 19 HB2 ALA 19 52.720 4.058 -3.291 146 HB3 ALA 19 HB3 ALA 19 53.501 2.909 -2.206 147 H ALA 20 HN ALA 20 53.076 1.646 -0.720 148 HA ALA 20 HA ALA 20 52.727 2.358 2.026 149 HB1 ALA 20 HB1 ALA 20 50.615 1.168 1.716 150 HB2 ALA 20 HB2 ALA 20 51.693 0.258 2.775 151 HB3 ALA 20 HB3 ALA 20 51.485 -0.234 1.094 152 H LEU 21 HN LEU 21 53.653 0.347 3.403 153 HA LEU 21 HA LEU 21 56.346 0.013 2.467 154 HB2 LEU 21 HB2 LEU 21 55.102 -1.462 4.792 155 HB3 LEU 21 HB1 LEU 21 56.783 -0.972 4.576 156 HG LEU 21 HG LEU 21 54.414 0.870 5.016 157 HD11 LEU 21 HD11 LEU 21 55.533 1.388 7.130 158 HD12 LEU 21 HD12 LEU 21 56.854 0.293 6.723 159 HD13 LEU 21 HD13 LEU 21 55.238 -0.347 7.021 160 HD21 LEU 21 HD21 LEU 21 56.310 2.611 5.178 161 HD22 LEU 21 HD22 LEU 21 55.897 2.047 3.561 162 HD23 LEU 21 HD23 LEU 21 57.327 1.413 4.376 163 H THR 22 HN THR 22 53.447 -1.930 2.443 164 HA THR 22 HA THR 22 54.559 -4.479 2.074 165 HB THR 22 HB THR 22 52.424 -5.146 1.177 166 HG1 THR 22 HG1 THR 22 51.266 -3.835 0.021 167 HG21 THR 22 HG21 THR 22 52.029 -2.887 3.160 168 HG22 THR 22 HG22 THR 22 52.451 -4.549 3.572 169 HG23 THR 22 HG23 THR 22 50.884 -4.191 2.846 170 H HIS 23 HN HIS 23 55.438 -5.516 0.369 171 HA HIS 23 HA HIS 23 56.334 -4.004 -1.885 172 HB2 HIS 23 HB2 HIS 23 56.347 -7.001 -1.446 173 HB3 HIS 23 HB1 HIS 23 57.284 -6.125 -2.658 174 HD1 HIS 23 HD1 HIS 23 57.203 -6.983 0.960 175 HD2 HIS 23 HD2 HIS 23 59.415 -4.504 -1.560 176 HE1 HIS 23 HE1 HIS 23 59.241 -6.255 2.276 177 H TYR 24 HN TYR 24 55.898 -4.575 -4.145 178 HA TYR 24 HA TYR 24 53.624 -6.125 -4.879 179 HB2 TYR 24 HB2 TYR 24 52.458 -4.210 -3.818 180 HB3 TYR 24 HB1 TYR 24 53.255 -3.122 -4.954 181 HD1 TYR 24 HD1 TYR 24 50.868 -5.966 -4.655 182 HD2 TYR 24 HD2 TYR 24 52.509 -2.926 -7.244 183 HE1 TYR 24 HE1 TYR 24 49.100 -6.448 -6.344 184 HE2 TYR 24 HE2 TYR 24 50.741 -3.409 -8.932 185 HH TYR 24 HH TYR 24 48.787 -6.221 -8.761 186 H LEU 25 HN LEU 25 54.920 -6.945 -6.492 187 HA LEU 25 HA LEU 25 56.404 -5.270 -8.297 188 HB2 LEU 25 HB2 LEU 25 55.618 -8.150 -8.765 189 HB3 LEU 25 HB1 LEU 25 57.018 -7.286 -9.399 190 HG LEU 25 HG LEU 25 56.522 -7.973 -6.486 191 HD11 LEU 25 HD11 LEU 25 57.156 -9.909 -7.872 192 HD12 LEU 25 HD12 LEU 25 58.474 -9.461 -6.788 193 HD13 LEU 25 HD13 LEU 25 58.544 -9.017 -8.494 194 HD21 LEU 25 HD21 LEU 25 58.981 -7.173 -6.335 195 HD22 LEU 25 HD22 LEU 25 57.744 -5.930 -6.485 196 HD23 LEU 25 HD23 LEU 25 58.696 -6.400 -7.895 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 47.555 13.332 11.461 2 H2 GLY 1 HT2 GLY 1 49.117 12.751 11.794 3 H3 GLY 1 HT3 GLY 1 48.164 12.006 10.600 4 HA2 GLY 1 HA1 GLY 1 49.994 13.553 9.876 5 HA3 GLY 1 HA2 GLY 1 48.409 13.694 9.128 6 H TRP 2 HN TRP 2 50.024 15.824 8.945 7 HA TRP 2 HA TRP 2 48.513 17.876 10.239 8 HB2 TRP 2 HB2 TRP 2 50.006 17.184 12.112 9 HB3 TRP 2 HB1 TRP 2 51.398 17.590 11.109 10 HD1 TRP 2 HD1 TRP 2 51.527 20.206 10.259 11 HE1 TRP 2 HE1 TRP 2 50.822 22.355 11.495 12 HE3 TRP 2 HE3 TRP 2 48.418 18.199 13.799 13 HZ2 TRP 2 HZ2 TRP 2 49.155 23.136 13.703 14 HZ3 TRP 2 HZ3 TRP 2 47.281 19.665 15.459 15 HH2 TRP 2 HH2 TRP 2 47.647 22.129 15.415 16 H GLY 3 HN GLY 3 51.789 17.304 8.930 17 HA2 GLY 3 HA1 GLY 3 51.961 19.795 7.601 18 HA3 GLY 3 HA2 GLY 3 52.976 18.391 7.298 19 H SER 4 HN SER 4 50.462 16.792 6.766 20 HA SER 4 HA SER 4 50.460 17.022 3.952 21 HB2 SER 4 HB2 SER 4 49.860 14.919 4.917 22 HB3 SER 4 HB1 SER 4 48.581 15.651 5.881 23 HG SER 4 HG SER 4 47.768 14.637 3.998 24 H PHE 5 HN PHE 5 47.831 17.758 6.261 25 HA PHE 5 HA PHE 5 46.091 18.975 4.456 26 HB2 PHE 5 HB2 PHE 5 46.484 19.658 7.379 27 HB3 PHE 5 HB1 PHE 5 45.058 20.030 6.409 28 HD1 PHE 5 HD1 PHE 5 47.011 17.340 8.032 29 HD2 PHE 5 HD2 PHE 5 43.484 18.283 5.731 30 HE1 PHE 5 HE1 PHE 5 46.087 15.080 8.525 31 HE2 PHE 5 HE2 PHE 5 42.559 16.022 6.223 32 HZ PHE 5 HZ PHE 5 43.854 14.426 7.631 33 H PHE 6 HN PHE 6 46.238 20.781 3.297 34 HA PHE 6 HA PHE 6 47.225 23.242 4.326 35 HB2 PHE 6 HB2 PHE 6 49.399 22.103 3.988 36 HB3 PHE 6 HB1 PHE 6 48.995 21.871 2.286 37 HD1 PHE 6 HD1 PHE 6 49.689 24.410 4.914 38 HD2 PHE 6 HD2 PHE 6 49.124 23.692 0.696 39 HE1 PHE 6 HE1 PHE 6 50.511 26.709 4.412 40 HE2 PHE 6 HE2 PHE 6 49.948 25.988 0.194 41 HZ PHE 6 HZ PHE 6 50.548 27.528 2.059 42 H ARG 7 HN ARG 7 46.509 21.268 1.488 43 HA ARG 7 HA ARG 7 44.677 23.225 0.470 44 HB2 ARG 7 HB2 ARG 7 46.960 24.127 -0.212 45 HB3 ARG 7 HB1 ARG 7 47.120 22.702 -1.237 46 HG2 ARG 7 HG2 ARG 7 45.172 23.323 -2.525 47 HG3 ARG 7 HG1 ARG 7 44.786 24.633 -1.409 48 HD2 ARG 7 HD2 ARG 7 46.796 25.834 -2.035 49 HD3 ARG 7 HD1 ARG 7 47.348 24.478 -3.020 50 HE ARG 7 HE ARG 7 44.741 25.452 -3.861 51 HH11 ARG 7 HH11 ARG 7 45.524 25.010 -6.234 52 HH12 ARG 7 HH12 ARG 7 46.633 26.222 -6.785 53 HH21 ARG 7 HH21 ARG 7 47.310 27.428 -3.605 54 HH22 ARG 7 HH22 ARG 7 47.642 27.590 -5.296 55 H ARG 8 HN ARG 8 46.012 20.163 0.675 56 HA ARG 8 HA ARG 8 45.352 18.112 -0.098 57 HB2 ARG 8 HB2 ARG 8 43.051 19.237 0.327 58 HB3 ARG 8 HB1 ARG 8 42.972 19.426 -1.422 59 HG2 ARG 8 HG2 ARG 8 43.223 17.007 -1.725 60 HG3 ARG 8 HG1 ARG 8 43.397 16.787 0.017 61 HD2 ARG 8 HD2 ARG 8 41.141 17.533 0.413 62 HD3 ARG 8 HD1 ARG 8 40.958 18.043 -1.266 63 HE ARG 8 HE ARG 8 40.272 15.836 -1.677 64 HH11 ARG 8 HH11 ARG 8 40.247 15.134 1.254 65 HH12 ARG 8 HH12 ARG 8 41.330 13.784 1.304 66 HH21 ARG 8 HH21 ARG 8 42.709 14.439 -1.810 67 HH22 ARG 8 HH22 ARG 8 42.725 13.392 -0.431 68 H ALA 9 HN ALA 9 46.285 20.624 -1.985 69 HA ALA 9 HA ALA 9 45.872 19.533 -4.611 70 HB1 ALA 9 HB1 ALA 9 47.776 21.656 -3.616 71 HB2 ALA 9 HB2 ALA 9 46.169 21.927 -4.290 72 HB3 ALA 9 HB3 ALA 9 47.459 21.291 -5.311 73 H ALA 10 HN ALA 10 46.722 17.547 -4.938 74 HA ALA 10 HA ALA 10 48.289 15.908 -5.273 75 HB1 ALA 10 HB1 ALA 10 50.438 16.577 -6.028 76 HB2 ALA 10 HB2 ALA 10 50.348 18.109 -5.161 77 HB3 ALA 10 HB3 ALA 10 49.320 17.829 -6.567 78 H HIS 11 HN HIS 11 48.003 17.572 -2.483 79 HA HIS 11 HA HIS 11 50.322 16.617 -1.049 80 HB2 HIS 11 HB2 HIS 11 47.714 17.853 -0.136 81 HB3 HIS 11 HB1 HIS 11 49.029 17.418 0.955 82 HD1 HIS 11 HD1 HIS 11 51.489 18.469 0.002 83 HD2 HIS 11 HD2 HIS 11 47.957 20.490 -0.893 84 HE1 HIS 11 HE1 HIS 11 52.156 20.827 -0.636 85 H VAL 12 HN VAL 12 46.899 16.040 -0.265 86 HA VAL 12 HA VAL 12 47.352 13.647 1.122 87 HB VAL 12 HB VAL 12 44.826 14.523 -0.317 88 HG11 VAL 12 HG11 VAL 12 44.647 12.186 0.199 89 HG12 VAL 12 HG12 VAL 12 43.763 13.040 1.463 90 HG13 VAL 12 HG13 VAL 12 45.380 12.415 1.786 91 HG21 VAL 12 HG21 VAL 12 45.636 14.839 2.591 92 HG22 VAL 12 HG22 VAL 12 44.171 15.459 1.830 93 HG23 VAL 12 HG23 VAL 12 45.744 16.126 1.391 94 H GLY 13 HN GLY 13 47.075 14.305 -2.272 95 HA2 GLY 13 HA1 GLY 13 46.342 11.751 -3.202 96 HA3 GLY 13 HA2 GLY 13 47.211 12.968 -4.127 97 H ARG 14 HN ARG 14 49.572 13.235 -2.917 98 HA ARG 14 HA ARG 14 50.932 10.806 -3.617 99 HB2 ARG 14 HB2 ARG 14 51.907 13.395 -2.389 100 HB3 ARG 14 HB1 ARG 14 52.966 12.071 -2.875 101 HG2 ARG 14 HG2 ARG 14 52.029 12.225 -5.187 102 HG3 ARG 14 HG1 ARG 14 51.095 13.632 -4.679 103 HD2 ARG 14 HD2 ARG 14 53.192 14.796 -4.066 104 HD3 ARG 14 HD1 ARG 14 54.118 13.396 -4.609 105 HE ARG 14 HE ARG 14 52.951 15.422 -6.323 106 HH11 ARG 14 HH11 ARG 14 55.372 14.173 -7.236 107 HH12 ARG 14 HH12 ARG 14 54.844 13.002 -8.398 108 HH21 ARG 14 HH21 ARG 14 51.554 13.008 -7.302 109 HH22 ARG 14 HH22 ARG 14 52.682 12.343 -8.436 110 H HIS 15 HN HIS 15 49.810 9.415 -2.037 111 HA HIS 15 HA HIS 15 51.446 9.011 0.291 112 HB2 HIS 15 HB2 HIS 15 49.881 10.815 1.061 113 HB3 HIS 15 HB1 HIS 15 48.540 9.710 0.767 114 HD1 HIS 15 HD1 HIS 15 47.834 8.596 2.874 115 HD2 HIS 15 HD2 HIS 15 51.959 9.181 2.774 116 HE1 HIS 15 HE1 HIS 15 48.745 7.647 5.038 117 H VAL 16 HN VAL 16 48.004 8.276 -0.228 118 HA VAL 16 HA VAL 16 48.340 5.513 0.323 119 HB VAL 16 HB VAL 16 46.051 6.759 -1.225 120 HG11 VAL 16 HG11 VAL 16 44.782 4.892 -0.210 121 HG12 VAL 16 HG12 VAL 16 46.257 4.320 0.570 122 HG13 VAL 16 HG13 VAL 16 46.123 4.295 -1.189 123 HG21 VAL 16 HG21 VAL 16 44.977 6.995 1.027 124 HG22 VAL 16 HG22 VAL 16 46.385 8.039 0.828 125 HG23 VAL 16 HG23 VAL 16 46.515 6.553 1.769 126 H GLY 17 HN GLY 17 48.036 7.357 -2.692 127 HA2 GLY 17 HA1 GLY 17 48.132 5.056 -4.390 128 HA3 GLY 17 HA2 GLY 17 48.307 6.734 -4.890 129 H ARG 18 HN ARG 18 50.502 7.537 -3.456 130 HA ARG 18 HA ARG 18 52.643 6.591 -5.013 131 HB2 ARG 18 HB2 ARG 18 52.627 8.796 -3.903 132 HB3 ARG 18 HB1 ARG 18 52.743 8.001 -2.333 133 HG2 ARG 18 HG2 ARG 18 54.916 7.124 -2.835 134 HG3 ARG 18 HG1 ARG 18 54.777 7.571 -4.535 135 HD2 ARG 18 HD2 ARG 18 54.722 9.608 -2.295 136 HD3 ARG 18 HD1 ARG 18 56.207 9.126 -3.116 137 HE ARG 18 HE ARG 18 54.157 10.872 -4.203 138 HH11 ARG 18 HH11 ARG 18 56.896 11.353 -4.982 139 HH12 ARG 18 HH12 ARG 18 57.015 10.660 -6.564 140 HH21 ARG 18 HH21 ARG 18 54.148 8.739 -6.227 141 HH22 ARG 18 HH22 ARG 18 55.459 9.179 -7.270 142 H ALA 19 HN ALA 19 51.126 5.256 -2.270 143 HA ALA 19 HA ALA 19 52.926 3.000 -2.250 144 HB1 ALA 19 HB1 ALA 19 53.560 3.200 0.110 145 HB2 ALA 19 HB2 ALA 19 52.751 4.766 0.198 146 HB3 ALA 19 HB3 ALA 19 54.170 4.562 -0.828 147 H ALA 20 HN ALA 20 51.023 1.873 -2.747 148 HA ALA 20 HA ALA 20 48.633 2.033 -1.227 149 HB1 ALA 20 HB1 ALA 20 49.609 -0.345 -2.809 150 HB2 ALA 20 HB2 ALA 20 48.874 1.080 -3.546 151 HB3 ALA 20 HB3 ALA 20 47.941 0.085 -2.428 152 H LEU 21 HN LEU 21 48.326 -0.888 -0.890 153 HA LEU 21 HA LEU 21 49.161 -1.055 1.841 154 HB2 LEU 21 HB2 LEU 21 48.189 -3.371 0.165 155 HB3 LEU 21 HB1 LEU 21 48.002 -3.121 1.900 156 HG LEU 21 HG LEU 21 46.690 -1.497 -0.302 157 HD11 LEU 21 HD11 LEU 21 45.462 -3.276 1.824 158 HD12 LEU 21 HD12 LEU 21 45.770 -3.795 0.166 159 HD13 LEU 21 HD13 LEU 21 44.627 -2.490 0.483 160 HD21 LEU 21 HD21 LEU 21 46.749 -1.180 2.712 161 HD22 LEU 21 HD22 LEU 21 45.448 -0.504 1.731 162 HD23 LEU 21 HD23 LEU 21 47.107 0.032 1.481 163 H THR 22 HN THR 22 51.492 -0.660 1.288 164 HA THR 22 HA THR 22 53.655 -1.411 1.198 165 HB THR 22 HB THR 22 52.527 -4.191 1.632 166 HG1 THR 22 HG1 THR 22 51.845 -2.391 3.112 167 HG21 THR 22 HG21 THR 22 54.685 -4.552 2.752 168 HG22 THR 22 HG22 THR 22 55.147 -2.883 2.419 169 HG23 THR 22 HG23 THR 22 54.935 -4.020 1.090 170 H HIS 23 HN HIS 23 54.901 -1.632 -0.537 171 HA HIS 23 HA HIS 23 54.582 -3.759 -2.439 172 HB2 HIS 23 HB2 HIS 23 52.778 -2.281 -3.218 173 HB3 HIS 23 HB1 HIS 23 53.917 -0.940 -3.330 174 HD1 HIS 23 HD1 HIS 23 53.105 -1.090 -5.962 175 HD2 HIS 23 HD2 HIS 23 55.558 -4.161 -4.573 176 HE1 HIS 23 HE1 HIS 23 54.073 -2.219 -8.013 177 H TYR 24 HN TYR 24 56.777 -3.701 -1.309 178 HA TYR 24 HA TYR 24 59.049 -3.400 -1.436 179 HB2 TYR 24 HB2 TYR 24 58.546 -4.107 -3.808 180 HB3 TYR 24 HB1 TYR 24 58.509 -2.398 -4.239 181 HD1 TYR 24 HD1 TYR 24 60.639 -5.199 -3.101 182 HD2 TYR 24 HD2 TYR 24 60.545 -1.038 -4.242 183 HE1 TYR 24 HE1 TYR 24 63.125 -5.191 -3.275 184 HE2 TYR 24 HE2 TYR 24 63.031 -1.029 -4.414 185 HH TYR 24 HH TYR 24 65.064 -2.980 -3.291 186 H LEU 25 HN LEU 25 59.858 -1.835 -0.199 187 HA LEU 25 HA LEU 25 59.051 0.813 -0.094 188 HB2 LEU 25 HB2 LEU 25 60.370 -0.165 1.685 189 HB3 LEU 25 HB1 LEU 25 61.727 -0.427 0.594 190 HG LEU 25 HG LEU 25 62.083 1.969 0.367 191 HD11 LEU 25 HD11 LEU 25 59.918 2.938 0.384 192 HD12 LEU 25 HD12 LEU 25 60.630 3.491 1.896 193 HD13 LEU 25 HD13 LEU 25 59.482 2.152 1.901 194 HD21 LEU 25 HD21 LEU 25 62.731 2.490 2.652 195 HD22 LEU 25 HD22 LEU 25 63.007 0.772 2.364 196 HD23 LEU 25 HD23 LEU 25 61.597 1.297 3.284 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 42.567 19.830 5.486 2 H2 GLY 1 HT2 GLY 1 40.912 20.208 5.429 3 H3 GLY 1 HT3 GLY 1 41.436 18.619 5.132 4 HA2 GLY 1 HA1 GLY 1 40.475 18.877 7.312 5 HA3 GLY 1 HA2 GLY 1 42.156 18.362 7.344 6 H TRP 2 HN TRP 2 43.794 20.015 7.732 7 HA TRP 2 HA TRP 2 43.106 22.628 8.626 8 HB2 TRP 2 HB2 TRP 2 43.545 22.332 11.025 9 HB3 TRP 2 HB1 TRP 2 42.149 21.380 10.519 10 HD1 TRP 2 HD1 TRP 2 45.873 20.991 11.379 11 HE1 TRP 2 HE1 TRP 2 46.307 18.544 12.064 12 HE3 TRP 2 HE3 TRP 2 41.274 18.978 10.380 13 HZ2 TRP 2 HZ2 TRP 2 44.892 16.044 12.176 14 HZ3 TRP 2 HZ3 TRP 2 40.839 16.559 10.784 15 HH2 TRP 2 HH2 TRP 2 42.642 15.093 11.681 16 H GLY 3 HN GLY 3 45.240 20.204 7.788 17 HA2 GLY 3 HA1 GLY 3 47.436 21.909 7.447 18 HA3 GLY 3 HA2 GLY 3 47.661 21.032 8.954 19 H SER 4 HN SER 4 45.827 19.199 6.855 20 HA SER 4 HA SER 4 47.917 18.073 5.237 21 HB2 SER 4 HB2 SER 4 46.924 16.471 7.607 22 HB3 SER 4 HB1 SER 4 47.940 15.851 6.308 23 HG SER 4 HG SER 4 48.600 17.334 8.488 24 H PHE 5 HN PHE 5 47.071 15.883 4.294 25 HA PHE 5 HA PHE 5 45.505 14.939 2.895 26 HB2 PHE 5 HB2 PHE 5 43.785 15.598 5.296 27 HB3 PHE 5 HB1 PHE 5 43.251 14.597 3.947 28 HD1 PHE 5 HD1 PHE 5 44.394 12.431 3.443 29 HD2 PHE 5 HD2 PHE 5 45.339 14.756 6.954 30 HE1 PHE 5 HE1 PHE 5 45.520 10.450 4.453 31 HE2 PHE 5 HE2 PHE 5 46.465 12.775 7.964 32 HZ PHE 5 HZ PHE 5 46.600 10.638 6.689 33 H PHE 6 HN PHE 6 45.889 17.982 2.990 34 HA PHE 6 HA PHE 6 43.905 18.595 1.000 35 HB2 PHE 6 HB2 PHE 6 42.624 18.907 3.131 36 HB3 PHE 6 HB1 PHE 6 43.784 20.153 3.591 37 HD1 PHE 6 HD1 PHE 6 43.848 22.318 2.454 38 HD2 PHE 6 HD2 PHE 6 41.086 19.236 1.227 39 HE1 PHE 6 HE1 PHE 6 42.594 23.984 1.089 40 HE2 PHE 6 HE2 PHE 6 39.834 20.902 -0.138 41 HZ PHE 6 HZ PHE 6 40.612 23.266 -0.238 42 H ARG 7 HN ARG 7 46.752 19.192 2.756 43 HA ARG 7 HA ARG 7 47.337 21.839 1.894 44 HB2 ARG 7 HB2 ARG 7 48.489 20.683 3.781 45 HB3 ARG 7 HB1 ARG 7 49.285 19.632 2.607 46 HG2 ARG 7 HG2 ARG 7 50.362 21.542 1.553 47 HG3 ARG 7 HG1 ARG 7 49.477 22.658 2.594 48 HD2 ARG 7 HD2 ARG 7 51.389 20.538 3.615 49 HD3 ARG 7 HD1 ARG 7 51.824 22.230 3.370 50 HE ARG 7 HE ARG 7 49.538 22.258 5.000 51 HH11 ARG 7 HH11 ARG 7 50.381 23.276 6.981 52 HH12 ARG 7 HH12 ARG 7 51.564 22.365 7.857 53 HH21 ARG 7 HH21 ARG 7 52.089 20.082 5.300 54 HH22 ARG 7 HH22 ARG 7 52.532 20.558 6.906 55 H ARG 8 HN ARG 8 47.686 18.681 0.441 56 HA ARG 8 HA ARG 8 48.146 19.822 -2.153 57 HB2 ARG 8 HB2 ARG 8 50.437 19.909 -1.101 58 HB3 ARG 8 HB1 ARG 8 50.387 18.150 -0.996 59 HG2 ARG 8 HG2 ARG 8 50.185 17.952 -3.404 60 HG3 ARG 8 HG1 ARG 8 50.028 19.700 -3.578 61 HD2 ARG 8 HD2 ARG 8 52.298 20.018 -2.714 62 HD3 ARG 8 HD1 ARG 8 52.465 18.281 -2.463 63 HE ARG 8 HE ARG 8 53.090 18.176 -4.721 64 HH11 ARG 8 HH11 ARG 8 51.626 18.204 -6.717 65 HH12 ARG 8 HH12 ARG 8 51.235 19.801 -7.262 66 HH21 ARG 8 HH21 ARG 8 52.252 21.340 -4.325 67 HH22 ARG 8 HH22 ARG 8 51.589 21.576 -5.909 68 H ALA 9 HN ALA 9 47.694 17.169 0.004 69 HA ALA 9 HA ALA 9 46.941 15.016 -0.286 70 HB1 ALA 9 HB1 ALA 9 45.662 16.261 -2.723 71 HB2 ALA 9 HB2 ALA 9 44.996 16.292 -1.091 72 HB3 ALA 9 HB3 ALA 9 45.171 14.758 -1.944 73 H ALA 10 HN ALA 10 49.536 15.356 -1.203 74 HA ALA 10 HA ALA 10 49.808 13.116 -2.938 75 HB1 ALA 10 HB1 ALA 10 50.648 15.746 -4.152 76 HB2 ALA 10 HB2 ALA 10 49.135 14.934 -4.554 77 HB3 ALA 10 HB3 ALA 10 50.676 14.151 -4.902 78 H HIS 11 HN HIS 11 50.774 14.304 -0.387 79 HA HIS 11 HA HIS 11 53.543 13.542 -0.658 80 HB2 HIS 11 HB2 HIS 11 53.581 15.926 -1.404 81 HB3 HIS 11 HB1 HIS 11 52.930 16.390 0.169 82 HD1 HIS 11 HD1 HIS 11 54.503 14.848 2.147 83 HD2 HIS 11 HD2 HIS 11 56.281 16.479 -1.249 84 HE1 HIS 11 HE1 HIS 11 56.981 15.011 2.645 85 H VAL 12 HN VAL 12 51.249 15.317 1.417 86 HA VAL 12 HA VAL 12 52.432 14.312 3.850 87 HB VAL 12 HB VAL 12 50.404 15.358 4.931 88 HG11 VAL 12 HG11 VAL 12 51.973 17.067 2.976 89 HG12 VAL 12 HG12 VAL 12 52.478 16.635 4.608 90 HG13 VAL 12 HG13 VAL 12 51.077 17.678 4.366 91 HG21 VAL 12 HG21 VAL 12 48.909 16.690 3.532 92 HG22 VAL 12 HG22 VAL 12 48.897 15.023 2.956 93 HG23 VAL 12 HG23 VAL 12 49.820 16.249 2.087 94 H GLY 13 HN GLY 13 51.898 12.122 2.312 95 HA2 GLY 13 HA1 GLY 13 50.331 10.524 4.024 96 HA3 GLY 13 HA2 GLY 13 49.387 10.928 2.597 97 H ARG 14 HN ARG 14 52.295 11.015 1.326 98 HA ARG 14 HA ARG 14 53.444 9.604 -0.083 99 HB2 ARG 14 HB2 ARG 14 53.006 7.659 2.196 100 HB3 ARG 14 HB1 ARG 14 54.222 7.512 0.926 101 HG2 ARG 14 HG2 ARG 14 55.095 9.791 1.675 102 HG3 ARG 14 HG1 ARG 14 54.046 9.630 3.083 103 HD2 ARG 14 HD2 ARG 14 56.332 7.810 2.278 104 HD3 ARG 14 HD1 ARG 14 56.225 8.823 3.716 105 HE ARG 14 HE ARG 14 54.715 7.241 4.697 106 HH11 ARG 14 HH11 ARG 14 52.799 5.972 3.568 107 HH12 ARG 14 HH12 ARG 14 53.381 4.590 2.703 108 HH21 ARG 14 HH21 ARG 14 56.675 5.673 2.663 109 HH22 ARG 14 HH22 ARG 14 55.576 4.420 2.191 110 H HIS 15 HN HIS 15 50.348 9.524 0.081 111 HA HIS 15 HA HIS 15 49.361 7.004 -0.529 112 HB2 HIS 15 HB2 HIS 15 48.553 9.725 -1.581 113 HB3 HIS 15 HB1 HIS 15 47.635 8.254 -1.901 114 HD1 HIS 15 HD1 HIS 15 48.793 7.512 1.269 115 HD2 HIS 15 HD2 HIS 15 45.943 10.230 -0.086 116 HE1 HIS 15 HE1 HIS 15 47.339 8.080 3.263 117 H VAL 16 HN VAL 16 49.155 9.092 -3.277 118 HA VAL 16 HA VAL 16 50.085 7.024 -5.038 119 HB VAL 16 HB VAL 16 49.764 8.736 -6.826 120 HG11 VAL 16 HG11 VAL 16 47.501 8.561 -4.813 121 HG12 VAL 16 HG12 VAL 16 47.873 7.348 -6.038 122 HG13 VAL 16 HG13 VAL 16 47.330 8.954 -6.523 123 HG21 VAL 16 HG21 VAL 16 50.424 10.730 -5.579 124 HG22 VAL 16 HG22 VAL 16 49.089 10.500 -4.450 125 HG23 VAL 16 HG23 VAL 16 48.760 10.922 -6.130 126 H GLY 17 HN GLY 17 51.658 9.306 -3.158 127 HA2 GLY 17 HA1 GLY 17 53.723 10.247 -4.785 128 HA3 GLY 17 HA2 GLY 17 53.829 10.023 -3.043 129 H ARG 18 HN ARG 18 53.821 7.454 -2.557 130 HA ARG 18 HA ARG 18 55.373 5.892 -4.419 131 HB2 ARG 18 HB2 ARG 18 57.073 7.476 -3.434 132 HB3 ARG 18 HB1 ARG 18 56.745 6.746 -1.861 133 HG2 ARG 18 HG2 ARG 18 57.411 4.548 -2.708 134 HG3 ARG 18 HG1 ARG 18 57.663 5.223 -4.318 135 HD2 ARG 18 HD2 ARG 18 59.169 6.044 -1.818 136 HD3 ARG 18 HD1 ARG 18 59.802 5.012 -3.100 137 HE ARG 18 HE ARG 18 59.809 7.848 -3.175 138 HH11 ARG 18 HH11 ARG 18 60.528 5.283 -5.078 139 HH12 ARG 18 HH12 ARG 18 60.080 6.003 -6.589 140 HH21 ARG 18 HH21 ARG 18 58.515 8.730 -5.128 141 HH22 ARG 18 HH22 ARG 18 58.938 7.953 -6.616 142 H ALA 19 HN ALA 19 53.752 6.364 -1.407 143 HA ALA 19 HA ALA 19 52.855 4.911 0.130 144 HB1 ALA 19 HB1 ALA 19 51.640 4.149 -1.855 145 HB2 ALA 19 HB2 ALA 19 51.996 2.799 -0.778 146 HB3 ALA 19 HB3 ALA 19 52.953 3.038 -2.239 147 H ALA 20 HN ALA 20 53.128 2.406 0.869 148 HA ALA 20 HA ALA 20 55.717 2.250 1.980 149 HB1 ALA 20 HB1 ALA 20 53.656 0.063 1.676 150 HB2 ALA 20 HB2 ALA 20 53.731 1.220 3.004 151 HB3 ALA 20 HB3 ALA 20 55.029 0.048 2.781 152 H LEU 21 HN LEU 21 57.135 2.435 0.160 153 HA LEU 21 HA LEU 21 58.471 1.642 -1.538 154 HB2 LEU 21 HB2 LEU 21 57.933 -1.100 -0.389 155 HB3 LEU 21 HB1 LEU 21 59.400 -0.509 -1.167 156 HG LEU 21 HG LEU 21 58.303 0.428 1.504 157 HD11 LEU 21 HD11 LEU 21 59.303 -1.826 1.564 158 HD12 LEU 21 HD12 LEU 21 60.322 -0.663 2.411 159 HD13 LEU 21 HD13 LEU 21 60.761 -1.201 0.791 160 HD21 LEU 21 HD21 LEU 21 59.416 2.298 0.514 161 HD22 LEU 21 HD22 LEU 21 60.690 1.280 -0.161 162 HD23 LEU 21 HD23 LEU 21 60.615 1.566 1.578 163 H THR 22 HN THR 22 56.373 2.226 -2.808 164 HA THR 22 HA THR 22 54.927 1.748 -4.532 165 HB THR 22 HB THR 22 55.738 0.269 -6.224 166 HG1 THR 22 HG1 THR 22 56.909 -1.467 -5.787 167 HG21 THR 22 HG21 THR 22 58.197 1.210 -4.730 168 HG22 THR 22 HG22 THR 22 57.162 2.278 -5.677 169 HG23 THR 22 HG23 THR 22 58.032 0.966 -6.469 170 H HIS 23 HN HIS 23 54.195 -0.720 -5.674 171 HA HIS 23 HA HIS 23 52.619 -2.368 -5.415 172 HB2 HIS 23 HB2 HIS 23 54.576 -3.333 -4.108 173 HB3 HIS 23 HB1 HIS 23 53.787 -2.739 -2.648 174 HD1 HIS 23 HD1 HIS 23 54.083 -5.750 -4.401 175 HD2 HIS 23 HD2 HIS 23 50.791 -3.706 -2.863 176 HE1 HIS 23 HE1 HIS 23 52.221 -7.453 -4.180 177 H TYR 24 HN TYR 24 50.614 -1.547 -5.338 178 HA TYR 24 HA TYR 24 49.640 0.224 -3.368 179 HB2 TYR 24 HB2 TYR 24 48.089 -1.605 -5.218 180 HB3 TYR 24 HB1 TYR 24 47.431 -0.220 -4.344 181 HD1 TYR 24 HD1 TYR 24 49.496 -1.312 -7.182 182 HD2 TYR 24 HD2 TYR 24 48.135 2.095 -4.909 183 HE1 TYR 24 HE1 TYR 24 50.238 0.206 -9.013 184 HE2 TYR 24 HE2 TYR 24 48.879 3.614 -6.740 185 HH TYR 24 HH TYR 24 49.163 3.367 -9.265 186 H LEU 25 HN LEU 25 48.113 -2.919 -3.941 187 HA LEU 25 HA LEU 25 47.011 -3.219 -1.418 188 HB2 LEU 25 HB2 LEU 25 48.026 -5.546 -3.057 189 HB3 LEU 25 HB1 LEU 25 46.647 -5.509 -1.962 190 HG LEU 25 HG LEU 25 46.896 -4.069 -4.619 191 HD11 LEU 25 HD11 LEU 25 45.106 -5.529 -5.323 192 HD12 LEU 25 HD12 LEU 25 44.918 -6.165 -3.688 193 HD13 LEU 25 HD13 LEU 25 46.372 -6.534 -4.615 194 HD21 LEU 25 HD21 LEU 25 44.831 -3.877 -2.408 195 HD22 LEU 25 HD22 LEU 25 44.432 -3.483 -4.080 196 HD23 LEU 25 HD23 LEU 25 45.673 -2.564 -3.234 Start of MODEL 21 1 H1 GLY 1 HT1 GLY 1 53.482 27.301 7.982 2 H2 GLY 1 HT2 GLY 1 53.199 25.672 8.371 3 H3 GLY 1 HT3 GLY 1 52.736 26.900 9.450 4 HA2 GLY 1 HA1 GLY 1 51.630 27.224 6.861 5 HA3 GLY 1 HA2 GLY 1 51.169 25.710 7.627 6 H TRP 2 HN TRP 2 49.045 26.972 7.389 7 HA TRP 2 HA TRP 2 48.348 27.989 10.017 8 HB2 TRP 2 HB2 TRP 2 48.044 29.756 7.573 9 HB3 TRP 2 HB1 TRP 2 47.407 30.104 9.180 10 HD1 TRP 2 HD1 TRP 2 50.513 30.314 7.106 11 HE1 TRP 2 HE1 TRP 2 52.441 31.302 8.503 12 HE3 TRP 2 HE3 TRP 2 48.384 30.164 11.759 13 HZ2 TRP 2 HZ2 TRP 2 53.017 31.949 11.243 14 HZ3 TRP 2 HZ3 TRP 2 49.642 30.971 13.750 15 HH2 TRP 2 HH2 TRP 2 51.954 31.863 13.497 16 H GLY 3 HN GLY 3 47.714 26.024 7.601 17 HA2 GLY 3 HA1 GLY 3 45.076 25.458 8.330 18 HA3 GLY 3 HA2 GLY 3 45.024 26.467 6.892 19 H SER 4 HN SER 4 47.321 25.520 5.589 20 HA SER 4 HA SER 4 47.944 23.895 4.091 21 HB2 SER 4 HB2 SER 4 46.909 21.923 6.131 22 HB3 SER 4 HB1 SER 4 48.157 21.662 4.916 23 HG SER 4 HG SER 4 48.555 22.402 7.343 24 H PHE 5 HN PHE 5 47.034 21.729 3.032 25 HA PHE 5 HA PHE 5 44.552 22.458 1.825 26 HB2 PHE 5 HB2 PHE 5 46.182 19.912 1.670 27 HB3 PHE 5 HB1 PHE 5 44.773 20.256 0.666 28 HD1 PHE 5 HD1 PHE 5 48.255 21.267 1.459 29 HD2 PHE 5 HD2 PHE 5 44.867 21.879 -1.145 30 HE1 PHE 5 HE1 PHE 5 49.692 22.571 -0.104 31 HE2 PHE 5 HE2 PHE 5 46.304 23.181 -2.709 32 HZ PHE 5 HZ PHE 5 48.735 23.456 -2.227 33 H PHE 6 HN PHE 6 44.854 19.115 2.648 34 HA PHE 6 HA PHE 6 43.020 19.204 4.897 35 HB2 PHE 6 HB2 PHE 6 42.134 17.978 2.270 36 HB3 PHE 6 HB1 PHE 6 41.254 17.907 3.796 37 HD1 PHE 6 HD1 PHE 6 40.235 19.941 4.779 38 HD2 PHE 6 HD2 PHE 6 42.217 20.025 0.945 39 HE1 PHE 6 HE1 PHE 6 39.189 22.147 4.287 40 HE2 PHE 6 HE2 PHE 6 41.171 22.233 0.454 41 HZ PHE 6 HZ PHE 6 39.703 23.319 2.148 42 H ARG 7 HN ARG 7 45.705 18.124 3.961 43 HA ARG 7 HA ARG 7 46.979 16.232 4.235 44 HB2 ARG 7 HB2 ARG 7 44.745 15.516 6.150 45 HB3 ARG 7 HB1 ARG 7 46.349 14.784 6.116 46 HG2 ARG 7 HG2 ARG 7 47.390 16.913 6.655 47 HG3 ARG 7 HG1 ARG 7 45.837 17.742 6.539 48 HD2 ARG 7 HD2 ARG 7 46.462 15.533 8.521 49 HD3 ARG 7 HD1 ARG 7 46.490 17.255 8.899 50 HE ARG 7 HE ARG 7 43.956 16.645 7.757 51 HH11 ARG 7 HH11 ARG 7 44.304 18.101 10.342 52 HH12 ARG 7 HH12 ARG 7 43.648 16.980 11.488 53 HH21 ARG 7 HH21 ARG 7 43.783 14.277 9.321 54 HH22 ARG 7 HH22 ARG 7 43.354 14.814 10.910 55 H ARG 8 HN ARG 8 45.360 16.170 1.983 56 HA ARG 8 HA ARG 8 45.298 13.378 1.425 57 HB2 ARG 8 HB2 ARG 8 43.177 13.634 2.746 58 HB3 ARG 8 HB1 ARG 8 42.597 14.741 1.502 59 HG2 ARG 8 HG2 ARG 8 42.661 13.023 -0.178 60 HG3 ARG 8 HG1 ARG 8 43.526 11.922 0.894 61 HD2 ARG 8 HD2 ARG 8 40.720 12.965 1.375 62 HD3 ARG 8 HD1 ARG 8 41.114 11.362 0.755 63 HE ARG 8 HE ARG 8 42.475 11.872 3.253 64 HH11 ARG 8 HH11 ARG 8 41.162 11.626 5.197 65 HH12 ARG 8 HH12 ARG 8 39.830 10.525 5.099 66 HH21 ARG 8 HH21 ARG 8 40.015 10.197 1.652 67 HH22 ARG 8 HH22 ARG 8 39.179 9.716 3.091 68 H ALA 9 HN ALA 9 46.753 14.688 -0.045 69 HA ALA 9 HA ALA 9 45.550 14.877 -2.619 70 HB1 ALA 9 HB1 ALA 9 46.289 17.451 -1.226 71 HB2 ALA 9 HB2 ALA 9 44.711 16.996 -1.870 72 HB3 ALA 9 HB3 ALA 9 46.056 17.310 -2.968 73 H ALA 10 HN ALA 10 48.232 15.515 -0.464 74 HA ALA 10 HA ALA 10 50.112 14.332 -2.258 75 HB1 ALA 10 HB1 ALA 10 50.271 17.322 -1.848 76 HB2 ALA 10 HB2 ALA 10 49.941 16.495 -3.369 77 HB3 ALA 10 HB3 ALA 10 51.519 16.329 -2.600 78 H HIS 11 HN HIS 11 49.586 13.523 0.195 79 HA HIS 11 HA HIS 11 52.069 13.974 1.618 80 HB2 HIS 11 HB2 HIS 11 49.418 14.803 2.823 81 HB3 HIS 11 HB1 HIS 11 50.896 14.569 3.756 82 HD1 HIS 11 HD1 HIS 11 52.984 16.124 2.988 83 HD2 HIS 11 HD2 HIS 11 49.243 17.279 1.562 84 HE1 HIS 11 HE1 HIS 11 53.218 18.529 2.226 85 H VAL 12 HN VAL 12 49.026 12.999 3.084 86 HA VAL 12 HA VAL 12 50.115 10.459 3.867 87 HB VAL 12 HB VAL 12 47.206 11.304 3.996 88 HG11 VAL 12 HG11 VAL 12 47.728 8.918 4.451 89 HG12 VAL 12 HG12 VAL 12 47.154 9.749 5.896 90 HG13 VAL 12 HG13 VAL 12 48.875 9.420 5.693 91 HG21 VAL 12 HG21 VAL 12 49.476 11.844 5.939 92 HG22 VAL 12 HG22 VAL 12 47.770 12.128 6.283 93 HG23 VAL 12 HG23 VAL 12 48.582 13.055 5.021 94 H GLY 13 HN GLY 13 48.139 11.625 1.246 95 HA2 GLY 13 HA1 GLY 13 47.015 9.143 0.457 96 HA3 GLY 13 HA2 GLY 13 47.159 10.580 -0.545 97 H ARG 14 HN ARG 14 50.145 9.734 0.721 98 HA ARG 14 HA ARG 14 51.002 8.613 -1.869 99 HB2 ARG 14 HB2 ARG 14 52.646 9.599 0.478 100 HB3 ARG 14 HB1 ARG 14 53.259 9.147 -1.113 101 HG2 ARG 14 HG2 ARG 14 51.916 10.939 -2.147 102 HG3 ARG 14 HG1 ARG 14 51.298 11.393 -0.559 103 HD2 ARG 14 HD2 ARG 14 54.182 11.510 -1.483 104 HD3 ARG 14 HD1 ARG 14 53.134 12.880 -1.112 105 HE ARG 14 HE ARG 14 53.214 11.295 1.213 106 HH11 ARG 14 HH11 ARG 14 55.609 10.694 1.826 107 HH12 ARG 14 HH12 ARG 14 56.615 12.101 1.935 108 HH21 ARG 14 HH21 ARG 14 54.405 14.139 0.207 109 HH22 ARG 14 HH22 ARG 14 55.933 14.051 1.017 110 H HIS 15 HN HIS 15 51.782 8.031 1.573 111 HA HIS 15 HA HIS 15 52.857 5.459 1.168 112 HB2 HIS 15 HB2 HIS 15 51.637 6.723 3.632 113 HB3 HIS 15 HB1 HIS 15 52.517 5.193 3.633 114 HD1 HIS 15 HD1 HIS 15 54.810 5.891 1.707 115 HD2 HIS 15 HD2 HIS 15 53.503 8.486 4.691 116 HE1 HIS 15 HE1 HIS 15 56.756 7.427 2.222 117 H VAL 16 HN VAL 16 49.644 6.535 1.047 118 HA VAL 16 HA VAL 16 48.662 3.778 0.856 119 HB VAL 16 HB VAL 16 46.649 4.428 2.310 120 HG11 VAL 16 HG11 VAL 16 47.803 3.841 4.389 121 HG12 VAL 16 HG12 VAL 16 49.356 4.262 3.671 122 HG13 VAL 16 HG13 VAL 16 48.446 2.883 3.057 123 HG21 VAL 16 HG21 VAL 16 46.938 6.239 3.885 124 HG22 VAL 16 HG22 VAL 16 47.246 6.890 2.274 125 HG23 VAL 16 HG23 VAL 16 48.595 6.511 3.344 126 H GLY 17 HN GLY 17 48.932 5.069 -1.342 127 HA2 GLY 17 HA1 GLY 17 46.392 5.353 -2.446 128 HA3 GLY 17 HA2 GLY 17 46.964 6.967 -2.055 129 H ARG 18 HN ARG 18 49.769 5.631 -2.555 130 HA ARG 18 HA ARG 18 49.800 5.239 -5.416 131 HB2 ARG 18 HB2 ARG 18 49.609 7.741 -5.171 132 HB3 ARG 18 HB1 ARG 18 51.162 7.715 -4.334 133 HG2 ARG 18 HG2 ARG 18 52.225 6.687 -6.298 134 HG3 ARG 18 HG1 ARG 18 50.674 6.670 -7.140 135 HD2 ARG 18 HD2 ARG 18 50.567 9.117 -7.046 136 HD3 ARG 18 HD1 ARG 18 52.079 9.165 -6.138 137 HE ARG 18 HE ARG 18 51.858 8.901 -8.996 138 HH11 ARG 18 HH11 ARG 18 53.290 7.065 -9.816 139 HH12 ARG 18 HH12 ARG 18 54.875 7.055 -9.118 140 HH21 ARG 18 HH21 ARG 18 54.040 9.212 -6.537 141 HH22 ARG 18 HH22 ARG 18 55.299 8.270 -7.260 142 H ALA 19 HN ALA 19 51.945 6.405 -2.801 143 HA ALA 19 HA ALA 19 54.157 4.816 -3.736 144 HB1 ALA 19 HB1 ALA 19 55.310 5.658 -1.766 145 HB2 ALA 19 HB2 ALA 19 53.790 6.262 -1.109 146 HB3 ALA 19 HB3 ALA 19 54.462 6.973 -2.576 147 H ALA 20 HN ALA 20 51.650 3.404 -3.034 148 HA ALA 20 HA ALA 20 51.807 2.055 -0.591 149 HB1 ALA 20 HB1 ALA 20 50.756 1.100 -3.258 150 HB2 ALA 20 HB2 ALA 20 49.837 1.918 -1.994 151 HB3 ALA 20 HB3 ALA 20 50.466 0.295 -1.715 152 H LEU 21 HN LEU 21 52.609 -0.020 -0.045 153 HA LEU 21 HA LEU 21 55.230 -0.565 -0.983 154 HB2 LEU 21 HB2 LEU 21 53.485 -2.534 0.505 155 HB3 LEU 21 HB1 LEU 21 55.240 -2.379 0.552 156 HG LEU 21 HG LEU 21 53.241 -0.359 1.618 157 HD11 LEU 21 HD11 LEU 21 54.189 -0.992 3.809 158 HD12 LEU 21 HD12 LEU 21 55.214 -2.188 3.018 159 HD13 LEU 21 HD13 LEU 21 53.462 -2.383 3.005 160 HD21 LEU 21 HD21 LEU 21 55.413 0.651 2.579 161 HD22 LEU 21 HD22 LEU 21 55.123 0.894 0.860 162 HD23 LEU 21 HD23 LEU 21 56.264 -0.341 1.394 163 H THR 22 HN THR 22 52.169 -1.367 -2.214 164 HA THR 22 HA THR 22 52.920 -3.843 -3.511 165 HB THR 22 HB THR 22 50.734 -3.640 -4.651 166 HG1 THR 22 HG1 THR 22 51.101 -1.089 -4.103 167 HG21 THR 22 HG21 THR 22 50.752 -4.654 -2.450 168 HG22 THR 22 HG22 THR 22 49.323 -3.629 -2.576 169 HG23 THR 22 HG23 THR 22 50.733 -3.070 -1.676 170 H HIS 23 HN HIS 23 54.869 -2.130 -4.202 171 HA HIS 23 HA HIS 23 54.731 -2.108 -7.045 172 HB2 HIS 23 HB2 HIS 23 53.338 -0.092 -6.535 173 HB3 HIS 23 HB1 HIS 23 54.740 0.623 -5.741 174 HD1 HIS 23 HD1 HIS 23 55.397 2.421 -7.387 175 HD2 HIS 23 HD2 HIS 23 54.748 -1.244 -9.258 176 HE1 HIS 23 HE1 HIS 23 56.166 2.694 -9.785 177 H TYR 24 HN TYR 24 56.432 -2.935 -4.767 178 HA TYR 24 HA TYR 24 58.801 -1.316 -4.796 179 HB2 TYR 24 HB2 TYR 24 58.155 -2.823 -2.908 180 HB3 TYR 24 HB1 TYR 24 58.506 -4.205 -3.946 181 HD1 TYR 24 HD1 TYR 24 59.942 -1.398 -2.037 182 HD2 TYR 24 HD2 TYR 24 60.811 -4.701 -4.676 183 HE1 TYR 24 HE1 TYR 24 62.361 -1.215 -1.468 184 HE2 TYR 24 HE2 TYR 24 63.230 -4.519 -4.107 185 HH TYR 24 HH TYR 24 64.493 -3.116 -1.645 186 H LEU 25 HN LEU 25 58.324 -4.681 -5.898 187 HA LEU 25 HA LEU 25 59.390 -5.892 -7.541 188 HB2 LEU 25 HB2 LEU 25 59.449 -3.301 -9.094 189 HB3 LEU 25 HB1 LEU 25 59.310 -4.944 -9.718 190 HG LEU 25 HG LEU 25 57.229 -3.500 -8.044 191 HD11 LEU 25 HD11 LEU 25 57.379 -2.658 -10.347 192 HD12 LEU 25 HD12 LEU 25 55.897 -3.588 -10.131 193 HD13 LEU 25 HD13 LEU 25 57.273 -4.305 -10.969 194 HD21 LEU 25 HD21 LEU 25 57.383 -6.304 -9.185 195 HD22 LEU 25 HD22 LEU 25 55.841 -5.549 -8.780 196 HD23 LEU 25 HD23 LEU 25 57.044 -5.822 -7.523 Start of MODEL 22 1 H1 GLY 1 HT1 GLY 1 46.337 28.126 9.230 2 H2 GLY 1 HT2 GLY 1 46.766 27.694 10.816 3 H3 GLY 1 HT3 GLY 1 46.820 29.321 10.331 4 HA2 GLY 1 HA1 GLY 1 44.472 27.618 10.739 5 HA3 GLY 1 HA2 GLY 1 44.917 29.079 11.609 6 H TRP 2 HN TRP 2 44.673 28.211 8.158 7 HA TRP 2 HA TRP 2 42.421 29.910 7.694 8 HB2 TRP 2 HB2 TRP 2 44.123 31.661 7.989 9 HB3 TRP 2 HB1 TRP 2 45.119 30.907 6.744 10 HD1 TRP 2 HD1 TRP 2 44.709 31.661 4.346 11 HE1 TRP 2 HE1 TRP 2 42.877 33.005 3.126 12 HE3 TRP 2 HE3 TRP 2 41.317 32.163 8.148 13 HZ2 TRP 2 HZ2 TRP 2 40.301 34.149 3.683 14 HZ3 TRP 2 HZ3 TRP 2 39.178 33.385 7.780 15 HH2 TRP 2 HH2 TRP 2 38.667 34.377 5.553 16 H GLY 3 HN GLY 3 42.256 27.515 6.963 17 HA2 GLY 3 HA1 GLY 3 42.159 25.961 5.271 18 HA3 GLY 3 HA2 GLY 3 41.912 27.369 4.248 19 H SER 4 HN SER 4 44.664 25.927 6.008 20 HA SER 4 HA SER 4 46.104 25.384 3.576 21 HB2 SER 4 HB2 SER 4 46.962 27.703 5.318 22 HB3 SER 4 HB1 SER 4 48.008 26.928 4.131 23 HG SER 4 HG SER 4 46.911 28.741 3.264 24 H PHE 5 HN PHE 5 45.381 23.670 5.548 25 HA PHE 5 HA PHE 5 47.305 23.364 7.621 26 HB2 PHE 5 HB2 PHE 5 45.463 21.313 6.362 27 HB3 PHE 5 HB1 PHE 5 46.336 21.112 7.882 28 HD1 PHE 5 HD1 PHE 5 45.847 22.637 9.828 29 HD2 PHE 5 HD2 PHE 5 43.432 22.610 6.252 30 HE1 PHE 5 HE1 PHE 5 44.025 23.818 11.050 31 HE2 PHE 5 HE2 PHE 5 41.609 23.790 7.473 32 HZ PHE 5 HZ PHE 5 41.929 24.443 9.857 33 H PHE 6 HN PHE 6 47.360 20.339 6.580 34 HA PHE 6 HA PHE 6 49.236 20.362 4.435 35 HB2 PHE 6 HB2 PHE 6 50.644 21.320 6.274 36 HB3 PHE 6 HB1 PHE 6 50.409 19.822 7.172 37 HD1 PHE 6 HD1 PHE 6 51.845 21.306 4.077 38 HD2 PHE 6 HD2 PHE 6 51.569 17.786 6.559 39 HE1 PHE 6 HE1 PHE 6 53.696 20.251 2.787 40 HE2 PHE 6 HE2 PHE 6 53.421 16.732 5.269 41 HZ PHE 6 HZ PHE 6 54.536 17.996 3.434 42 H ARG 7 HN ARG 7 47.718 18.768 7.142 43 HA ARG 7 HA ARG 7 48.490 16.099 6.390 44 HB2 ARG 7 HB2 ARG 7 46.765 15.422 8.059 45 HB3 ARG 7 HB1 ARG 7 47.943 16.563 8.706 46 HG2 ARG 7 HG2 ARG 7 46.368 18.420 8.317 47 HG3 ARG 7 HG1 ARG 7 45.187 17.287 7.662 48 HD2 ARG 7 HD2 ARG 7 46.299 17.269 10.483 49 HD3 ARG 7 HD1 ARG 7 44.673 17.762 10.011 50 HE ARG 7 HE ARG 7 44.947 15.162 9.033 51 HH11 ARG 7 HH11 ARG 7 44.815 13.273 10.317 52 HH12 ARG 7 HH12 ARG 7 44.486 13.441 12.010 53 HH21 ARG 7 HH21 ARG 7 44.690 16.902 11.976 54 HH22 ARG 7 HH22 ARG 7 44.414 15.495 12.948 55 H ARG 8 HN ARG 8 46.935 18.038 4.528 56 HA ARG 8 HA ARG 8 45.454 16.016 3.175 57 HB2 ARG 8 HB2 ARG 8 43.894 16.574 5.080 58 HB3 ARG 8 HB1 ARG 8 43.773 18.204 4.416 59 HG2 ARG 8 HG2 ARG 8 42.879 17.344 2.325 60 HG3 ARG 8 HG1 ARG 8 43.131 15.681 2.859 61 HD2 ARG 8 HD2 ARG 8 41.522 15.991 4.679 62 HD3 ARG 8 HD1 ARG 8 41.304 17.681 4.223 63 HE ARG 8 HE ARG 8 40.745 16.011 1.963 64 HH11 ARG 8 HH11 ARG 8 38.556 16.221 1.315 65 HH12 ARG 8 HH12 ARG 8 37.332 16.275 2.539 66 HH21 ARG 8 HH21 ARG 8 39.589 16.386 5.169 67 HH22 ARG 8 HH22 ARG 8 37.916 16.370 4.720 68 H ALA 9 HN ALA 9 46.288 19.372 3.661 69 HA ALA 9 HA ALA 9 45.314 20.372 1.182 70 HB1 ALA 9 HB1 ALA 9 45.835 21.871 3.017 71 HB2 ALA 9 HB2 ALA 9 46.846 22.268 1.628 72 HB3 ALA 9 HB3 ALA 9 47.526 21.369 2.984 73 H ALA 10 HN ALA 10 48.517 19.227 2.232 74 HA ALA 10 HA ALA 10 49.810 19.656 -0.251 75 HB1 ALA 10 HB1 ALA 10 51.134 19.394 1.726 76 HB2 ALA 10 HB2 ALA 10 51.496 18.030 0.669 77 HB3 ALA 10 HB3 ALA 10 50.430 17.812 2.058 78 H HIS 11 HN HIS 11 50.302 16.428 0.628 79 HA HIS 11 HA HIS 11 48.255 15.187 -0.936 80 HB2 HIS 11 HB2 HIS 11 49.717 14.401 -2.779 81 HB3 HIS 11 HB1 HIS 11 49.507 16.151 -2.795 82 HD1 HIS 11 HD1 HIS 11 51.515 17.475 -1.391 83 HD2 HIS 11 HD2 HIS 11 52.375 13.640 -2.776 84 HE1 HIS 11 HE1 HIS 11 54.040 17.271 -1.415 85 H VAL 12 HN VAL 12 49.582 14.923 1.653 86 HA VAL 12 HA VAL 12 51.365 12.727 1.689 87 HB VAL 12 HB VAL 12 50.653 12.489 4.091 88 HG11 VAL 12 HG11 VAL 12 52.445 14.058 3.388 89 HG12 VAL 12 HG12 VAL 12 51.550 14.667 4.780 90 HG13 VAL 12 HG13 VAL 12 51.234 15.322 3.174 91 HG21 VAL 12 HG21 VAL 12 48.307 13.146 3.842 92 HG22 VAL 12 HG22 VAL 12 48.790 14.753 3.301 93 HG23 VAL 12 HG23 VAL 12 49.108 14.250 4.960 94 H GLY 13 HN GLY 13 50.750 10.625 2.855 95 HA2 GLY 13 HA1 GLY 13 49.489 8.702 3.005 96 HA3 GLY 13 HA2 GLY 13 48.080 9.635 2.518 97 H ARG 14 HN ARG 14 49.274 10.623 0.068 98 HA ARG 14 HA ARG 14 48.656 8.375 -1.636 99 HB2 ARG 14 HB2 ARG 14 49.679 11.132 -2.360 100 HB3 ARG 14 HB1 ARG 14 48.961 9.960 -3.465 101 HG2 ARG 14 HG2 ARG 14 46.872 10.017 -2.075 102 HG3 ARG 14 HG1 ARG 14 47.595 11.315 -1.124 103 HD2 ARG 14 HD2 ARG 14 46.122 12.206 -2.905 104 HD3 ARG 14 HD1 ARG 14 47.797 12.705 -3.138 105 HE ARG 14 HE ARG 14 47.263 10.262 -4.574 106 HH11 ARG 14 HH11 ARG 14 47.578 13.648 -4.702 107 HH12 ARG 14 HH12 ARG 14 47.067 13.787 -6.352 108 HH21 ARG 14 HH21 ARG 14 46.236 10.436 -6.657 109 HH22 ARG 14 HH22 ARG 14 46.307 11.970 -7.458 110 H HIS 15 HN HIS 15 50.986 8.016 0.041 111 HA HIS 15 HA HIS 15 53.398 8.428 -1.376 112 HB2 HIS 15 HB2 HIS 15 52.684 6.343 0.698 113 HB3 HIS 15 HB1 HIS 15 54.321 6.698 0.144 114 HD1 HIS 15 HD1 HIS 15 54.080 9.800 0.003 115 HD2 HIS 15 HD2 HIS 15 52.740 7.523 3.224 116 HE1 HIS 15 HE1 HIS 15 54.056 11.343 2.009 117 H VAL 16 HN VAL 16 53.200 7.800 -3.518 118 HA VAL 16 HA VAL 16 53.208 6.382 -5.325 119 HB VAL 16 HB VAL 16 54.072 4.246 -3.354 120 HG11 VAL 16 HG11 VAL 16 55.270 3.358 -5.303 121 HG12 VAL 16 HG12 VAL 16 54.714 4.715 -6.283 122 HG13 VAL 16 HG13 VAL 16 53.556 3.531 -5.680 123 HG21 VAL 16 HG21 VAL 16 55.746 6.360 -4.752 124 HG22 VAL 16 HG22 VAL 16 56.376 5.031 -3.778 125 HG23 VAL 16 HG23 VAL 16 55.410 6.298 -3.021 126 H GLY 17 HN GLY 17 50.770 6.657 -5.049 127 HA2 GLY 17 HA1 GLY 17 48.643 5.785 -4.996 128 HA3 GLY 17 HA2 GLY 17 49.408 4.398 -5.757 129 H ARG 18 HN ARG 18 49.624 5.736 -2.465 130 HA ARG 18 HA ARG 18 49.369 4.743 -0.410 131 HB2 ARG 18 HB2 ARG 18 47.294 3.088 -1.867 132 HB3 ARG 18 HB1 ARG 18 47.403 3.334 -0.124 133 HG2 ARG 18 HG2 ARG 18 47.027 5.738 -0.411 134 HG3 ARG 18 HG1 ARG 18 46.986 5.541 -2.163 135 HD2 ARG 18 HD2 ARG 18 44.701 5.627 -1.348 136 HD3 ARG 18 HD1 ARG 18 45.040 3.982 -1.883 137 HE ARG 18 HE ARG 18 45.662 3.999 0.840 138 HH11 ARG 18 HH11 ARG 18 43.039 5.598 -0.560 139 HH12 ARG 18 HH12 ARG 18 41.829 4.767 0.359 140 HH21 ARG 18 HH21 ARG 18 44.064 2.530 1.781 141 HH22 ARG 18 HH22 ARG 18 42.409 3.030 1.683 142 H ALA 19 HN ALA 19 51.595 3.857 -1.079 143 HA ALA 19 HA ALA 19 53.114 2.135 -1.051 144 HB1 ALA 19 HB1 ALA 19 52.634 0.312 0.415 145 HB2 ALA 19 HB2 ALA 19 50.896 0.550 0.239 146 HB3 ALA 19 HB3 ALA 19 51.866 1.744 1.102 147 H ALA 20 HN ALA 20 53.449 -0.229 -1.722 148 HA ALA 20 HA ALA 20 51.559 -1.420 -3.512 149 HB1 ALA 20 HB1 ALA 20 53.947 -0.000 -4.698 150 HB2 ALA 20 HB2 ALA 20 52.248 0.381 -4.978 151 HB3 ALA 20 HB3 ALA 20 52.920 -1.139 -5.569 152 H LEU 21 HN LEU 21 52.191 -3.047 -1.894 153 HA LEU 21 HA LEU 21 54.857 -4.110 -1.880 154 HB2 LEU 21 HB2 LEU 21 52.198 -5.031 -0.785 155 HB3 LEU 21 HB1 LEU 21 53.608 -6.087 -0.720 156 HG LEU 21 HG LEU 21 54.854 -4.398 0.539 157 HD11 LEU 21 HD11 LEU 21 52.359 -2.744 0.088 158 HD12 LEU 21 HD12 LEU 21 54.028 -2.329 -0.304 159 HD13 LEU 21 HD13 LEU 21 53.505 -2.376 1.377 160 HD21 LEU 21 HD21 LEU 21 53.445 -5.985 1.792 161 HD22 LEU 21 HD22 LEU 21 52.076 -4.883 1.663 162 HD23 LEU 21 HD23 LEU 21 53.492 -4.422 2.608 163 H THR 22 HN THR 22 52.749 -4.044 -4.316 164 HA THR 22 HA THR 22 52.749 -6.795 -5.175 165 HB THR 22 HB THR 22 52.174 -4.289 -6.786 166 HG1 THR 22 HG1 THR 22 50.056 -5.797 -6.110 167 HG21 THR 22 HG21 THR 22 52.600 -6.138 -8.255 168 HG22 THR 22 HG22 THR 22 50.849 -5.961 -8.159 169 HG23 THR 22 HG23 THR 22 51.657 -7.235 -7.245 170 H HIS 23 HN HIS 23 54.841 -4.040 -5.543 171 HA HIS 23 HA HIS 23 56.285 -5.078 -7.823 172 HB2 HIS 23 HB2 HIS 23 57.094 -2.883 -5.906 173 HB3 HIS 23 HB1 HIS 23 57.734 -3.170 -7.524 174 HD1 HIS 23 HD1 HIS 23 54.739 -3.859 -8.635 175 HD2 HIS 23 HD2 HIS 23 56.041 -0.346 -6.811 176 HE1 HIS 23 HE1 HIS 23 53.118 -2.045 -9.337 177 H TYR 24 HN TYR 24 56.140 -6.964 -5.689 178 HA TYR 24 HA TYR 24 58.494 -6.977 -4.102 179 HB2 TYR 24 HB2 TYR 24 57.994 -9.445 -3.880 180 HB3 TYR 24 HB1 TYR 24 56.664 -8.376 -3.438 181 HD1 TYR 24 HD1 TYR 24 54.690 -8.129 -4.882 182 HD2 TYR 24 HD2 TYR 24 57.917 -10.797 -5.924 183 HE1 TYR 24 HE1 TYR 24 53.237 -9.219 -6.589 184 HE2 TYR 24 HE2 TYR 24 56.465 -11.888 -7.631 185 HH TYR 24 HH TYR 24 54.551 -11.325 -8.990 186 H LEU 25 HN LEU 25 57.698 -8.478 -7.224 187 HA LEU 25 HA LEU 25 60.090 -9.873 -7.607 188 HB2 LEU 25 HB2 LEU 25 59.462 -10.089 -9.882 189 HB3 LEU 25 HB1 LEU 25 57.948 -10.014 -8.990 190 HG LEU 25 HG LEU 25 59.254 -7.777 -10.572 191 HD11 LEU 25 HD11 LEU 25 57.178 -7.897 -11.877 192 HD12 LEU 25 HD12 LEU 25 56.578 -9.181 -10.827 193 HD13 LEU 25 HD13 LEU 25 57.982 -9.466 -11.856 194 HD21 LEU 25 HD21 LEU 25 58.330 -6.717 -8.622 195 HD22 LEU 25 HD22 LEU 25 56.899 -7.747 -8.662 196 HD23 LEU 25 HD23 LEU 25 57.132 -6.513 -9.899 Start of MODEL 23 1 H1 GLY 1 HT1 GLY 1 48.395 22.826 7.057 2 H2 GLY 1 HT2 GLY 1 49.731 23.090 8.075 3 H3 GLY 1 HT3 GLY 1 48.154 23.374 8.643 4 HA2 GLY 1 HA1 GLY 1 48.944 20.735 7.692 5 HA3 GLY 1 HA2 GLY 1 49.349 21.261 9.321 6 H TRP 2 HN TRP 2 47.073 22.808 9.872 7 HA TRP 2 HA TRP 2 45.101 20.675 10.324 8 HB2 TRP 2 HB2 TRP 2 44.103 22.256 11.915 9 HB3 TRP 2 HB1 TRP 2 45.822 22.037 12.241 10 HD1 TRP 2 HD1 TRP 2 43.275 24.618 11.275 11 HE1 TRP 2 HE1 TRP 2 44.412 26.919 11.032 12 HE3 TRP 2 HE3 TRP 2 48.187 23.191 11.492 13 HZ2 TRP 2 HZ2 TRP 2 47.064 28.023 10.940 14 HZ3 TRP 2 HZ3 TRP 2 50.004 24.886 11.325 15 HH2 TRP 2 HH2 TRP 2 49.446 27.298 11.049 16 H GLY 3 HN GLY 3 45.092 24.085 9.253 17 HA2 GLY 3 HA1 GLY 3 42.429 23.935 8.225 18 HA3 GLY 3 HA2 GLY 3 43.568 25.255 7.991 19 H SER 4 HN SER 4 45.553 23.184 6.966 20 HA SER 4 HA SER 4 44.957 23.520 4.194 21 HB2 SER 4 HB2 SER 4 46.980 22.174 3.825 22 HB3 SER 4 HB1 SER 4 47.265 23.420 5.036 23 HG SER 4 HG SER 4 46.663 21.693 6.587 24 H PHE 5 HN PHE 5 43.523 22.383 3.071 25 HA PHE 5 HA PHE 5 43.505 19.535 3.034 26 HB2 PHE 5 HB2 PHE 5 42.319 19.881 5.180 27 HB3 PHE 5 HB1 PHE 5 41.115 20.858 4.339 28 HD1 PHE 5 HD1 PHE 5 39.350 19.837 3.058 29 HD2 PHE 5 HD2 PHE 5 42.620 17.450 4.555 30 HE1 PHE 5 HE1 PHE 5 38.127 17.760 2.421 31 HE2 PHE 5 HE2 PHE 5 41.397 15.375 3.918 32 HZ PHE 5 HZ PHE 5 39.151 15.530 2.849 33 H PHE 6 HN PHE 6 43.719 19.988 0.810 34 HA PHE 6 HA PHE 6 41.188 20.309 -0.577 35 HB2 PHE 6 HB2 PHE 6 43.435 22.280 -1.067 36 HB3 PHE 6 HB1 PHE 6 41.926 22.180 -1.972 37 HD1 PHE 6 HD1 PHE 6 39.751 22.735 -0.887 38 HD2 PHE 6 HD2 PHE 6 43.520 23.276 1.146 39 HE1 PHE 6 HE1 PHE 6 38.632 24.185 0.802 40 HE2 PHE 6 HE2 PHE 6 42.401 24.727 2.835 41 HZ PHE 6 HZ PHE 6 39.968 25.224 2.631 42 H ARG 7 HN ARG 7 43.057 18.179 -0.299 43 HA ARG 7 HA ARG 7 44.227 16.640 -1.545 44 HB2 ARG 7 HB2 ARG 7 42.776 17.929 -3.867 45 HB3 ARG 7 HB1 ARG 7 43.438 16.296 -3.805 46 HG2 ARG 7 HG2 ARG 7 41.889 15.753 -1.945 47 HG3 ARG 7 HG1 ARG 7 41.198 17.372 -2.067 48 HD2 ARG 7 HD2 ARG 7 39.863 15.647 -3.295 49 HD3 ARG 7 HD1 ARG 7 40.458 16.936 -4.344 50 HE ARG 7 HE ARG 7 42.270 14.656 -4.233 51 HH11 ARG 7 HH11 ARG 7 41.965 16.236 -6.693 52 HH12 ARG 7 HH12 ARG 7 40.983 15.221 -7.697 53 HH21 ARG 7 HH21 ARG 7 39.903 13.226 -5.074 54 HH22 ARG 7 HH22 ARG 7 39.817 13.516 -6.778 55 H ARG 8 HN ARG 8 45.912 18.547 -0.899 56 HA ARG 8 HA ARG 8 47.066 20.000 -3.060 57 HB2 ARG 8 HB2 ARG 8 47.312 20.418 -0.527 58 HB3 ARG 8 HB1 ARG 8 48.538 19.153 -0.557 59 HG2 ARG 8 HG2 ARG 8 49.780 20.424 -2.295 60 HG3 ARG 8 HG1 ARG 8 48.567 21.699 -2.211 61 HD2 ARG 8 HD2 ARG 8 50.426 22.356 -0.814 62 HD3 ARG 8 HD1 ARG 8 49.085 21.920 0.245 63 HE ARG 8 HE ARG 8 50.501 19.558 -0.003 64 HH11 ARG 8 HH11 ARG 8 51.007 19.627 2.470 65 HH12 ARG 8 HH12 ARG 8 52.402 20.590 2.825 66 HH21 ARG 8 HH21 ARG 8 52.421 22.179 -0.256 67 HH22 ARG 8 HH22 ARG 8 53.204 22.033 1.281 68 H ALA 9 HN ALA 9 47.036 16.725 -2.323 69 HA ALA 9 HA ALA 9 48.162 14.904 -3.142 70 HB1 ALA 9 HB1 ALA 9 49.327 16.779 -5.198 71 HB2 ALA 9 HB2 ALA 9 47.674 16.170 -5.286 72 HB3 ALA 9 HB3 ALA 9 49.031 15.046 -5.348 73 H ALA 10 HN ALA 10 50.330 13.954 -3.412 74 HA ALA 10 HA ALA 10 52.441 13.599 -2.573 75 HB1 ALA 10 HB1 ALA 10 52.907 15.307 -4.329 76 HB2 ALA 10 HB2 ALA 10 54.053 15.343 -2.989 77 HB3 ALA 10 HB3 ALA 10 52.776 16.555 -3.090 78 H HIS 11 HN HIS 11 50.207 14.632 -0.793 79 HA HIS 11 HA HIS 11 51.813 14.908 1.601 80 HB2 HIS 11 HB2 HIS 11 50.094 17.196 0.614 81 HB3 HIS 11 HB1 HIS 11 50.637 17.042 2.285 82 HD1 HIS 11 HD1 HIS 11 51.619 18.540 -0.817 83 HD2 HIS 11 HD2 HIS 11 53.661 16.799 2.370 84 HE1 HIS 11 HE1 HIS 11 54.028 19.294 -1.012 85 H VAL 12 HN VAL 12 48.771 14.590 -0.047 86 HA VAL 12 HA VAL 12 46.975 14.456 2.076 87 HB VAL 12 HB VAL 12 45.642 12.904 0.621 88 HG11 VAL 12 HG11 VAL 12 45.368 15.280 0.300 89 HG12 VAL 12 HG12 VAL 12 45.464 14.540 -1.298 90 HG13 VAL 12 HG13 VAL 12 46.863 15.380 -0.628 91 HG21 VAL 12 HG21 VAL 12 46.547 12.410 -1.635 92 HG22 VAL 12 HG22 VAL 12 47.539 11.681 -0.372 93 HG23 VAL 12 HG23 VAL 12 48.078 13.156 -1.176 94 H GLY 13 HN GLY 13 49.367 12.149 0.993 95 HA2 GLY 13 HA1 GLY 13 49.336 10.718 3.427 96 HA3 GLY 13 HA2 GLY 13 48.440 9.821 2.210 97 H ARG 14 HN ARG 14 51.386 11.808 1.985 98 HA ARG 14 HA ARG 14 52.703 10.191 0.141 99 HB2 ARG 14 HB2 ARG 14 54.798 11.285 1.002 100 HB3 ARG 14 HB1 ARG 14 53.512 12.413 0.575 101 HG2 ARG 14 HG2 ARG 14 52.873 12.658 2.901 102 HG3 ARG 14 HG1 ARG 14 54.006 11.397 3.388 103 HD2 ARG 14 HD2 ARG 14 55.871 12.813 2.468 104 HD3 ARG 14 HD1 ARG 14 54.693 14.101 2.207 105 HE ARG 14 HE ARG 14 54.546 13.208 4.929 106 HH11 ARG 14 HH11 ARG 14 56.089 15.291 2.684 107 HH12 ARG 14 HH12 ARG 14 57.000 16.145 3.885 108 HH21 ARG 14 HH21 ARG 14 55.907 14.156 6.508 109 HH22 ARG 14 HH22 ARG 14 56.896 15.502 6.050 110 H HIS 15 HN HIS 15 52.103 9.653 3.469 111 HA HIS 15 HA HIS 15 54.313 8.017 4.135 112 HB2 HIS 15 HB2 HIS 15 52.749 8.950 5.809 113 HB3 HIS 15 HB1 HIS 15 51.481 7.889 5.198 114 HD1 HIS 15 HD1 HIS 15 51.222 6.032 6.843 115 HD2 HIS 15 HD2 HIS 15 55.232 7.005 6.257 116 HE1 HIS 15 HE1 HIS 15 52.569 4.351 8.175 117 H VAL 16 HN VAL 16 51.044 7.186 2.982 118 HA VAL 16 HA VAL 16 51.636 4.386 2.747 119 HB VAL 16 HB VAL 16 49.383 5.893 1.389 120 HG11 VAL 16 HG11 VAL 16 48.255 3.699 1.557 121 HG12 VAL 16 HG12 VAL 16 49.698 3.018 2.310 122 HG13 VAL 16 HG13 VAL 16 49.754 3.574 0.638 123 HG21 VAL 16 HG21 VAL 16 49.286 6.452 3.738 124 HG22 VAL 16 HG22 VAL 16 49.612 4.781 4.202 125 HG23 VAL 16 HG23 VAL 16 48.075 5.204 3.444 126 H GLY 17 HN GLY 17 51.512 7.135 0.520 127 HA2 GLY 17 HA1 GLY 17 51.853 5.698 -1.876 128 HA3 GLY 17 HA2 GLY 17 52.253 7.393 -1.633 129 H ARG 18 HN ARG 18 54.289 7.564 -0.054 130 HA ARG 18 HA ARG 18 56.529 6.811 -1.502 131 HB2 ARG 18 HB2 ARG 18 56.568 8.542 0.242 132 HB3 ARG 18 HB1 ARG 18 56.341 7.308 1.481 133 HG2 ARG 18 HG2 ARG 18 58.467 6.300 0.988 134 HG3 ARG 18 HG1 ARG 18 58.661 7.282 -0.466 135 HD2 ARG 18 HD2 ARG 18 58.465 8.434 2.329 136 HD3 ARG 18 HD1 ARG 18 59.992 8.110 1.507 137 HE ARG 18 HE ARG 18 58.185 10.330 0.950 138 HH11 ARG 18 HH11 ARG 18 58.607 8.736 -1.628 139 HH12 ARG 18 HH12 ARG 18 59.974 9.558 -2.303 140 HH21 ARG 18 HH21 ARG 18 60.802 11.167 0.655 141 HH22 ARG 18 HH22 ARG 18 61.216 10.934 -1.012 142 H ALA 19 HN ALA 19 54.969 5.151 1.215 143 HA ALA 19 HA ALA 19 56.835 3.108 1.607 144 HB1 ALA 19 HB1 ALA 19 53.830 2.935 1.867 145 HB2 ALA 19 HB2 ALA 19 54.924 3.557 3.103 146 HB3 ALA 19 HB3 ALA 19 55.005 1.861 2.625 147 H ALA 20 HN ALA 20 57.660 2.307 -0.313 148 HA ALA 20 HA ALA 20 56.026 1.403 -2.471 149 HB1 ALA 20 HB1 ALA 20 58.897 0.754 -1.791 150 HB2 ALA 20 HB2 ALA 20 58.348 2.090 -2.801 151 HB3 ALA 20 HB3 ALA 20 58.108 0.426 -3.333 152 H LEU 21 HN LEU 21 56.044 0.236 0.510 153 HA LEU 21 HA LEU 21 56.541 -2.543 0.211 154 HB2 LEU 21 HB2 LEU 21 54.578 -1.317 2.153 155 HB3 LEU 21 HB1 LEU 21 55.505 -2.804 2.340 156 HG LEU 21 HG LEU 21 56.671 -0.004 2.211 157 HD11 LEU 21 HD11 LEU 21 57.117 -0.277 4.572 158 HD12 LEU 21 HD12 LEU 21 56.534 -1.941 4.538 159 HD13 LEU 21 HD13 LEU 21 55.405 -0.607 4.305 160 HD21 LEU 21 HD21 LEU 21 57.906 -2.761 2.456 161 HD22 LEU 21 HD22 LEU 21 58.751 -1.318 3.016 162 HD23 LEU 21 HD23 LEU 21 58.317 -1.478 1.318 163 H THR 22 HN THR 22 53.989 -0.525 -0.844 164 HA THR 22 HA THR 22 51.887 -2.457 -0.875 165 HB THR 22 HB THR 22 52.193 -0.013 -2.647 166 HG1 THR 22 HG1 THR 22 50.550 0.552 -0.787 167 HG21 THR 22 HG21 THR 22 49.683 -0.148 -2.632 168 HG22 THR 22 HG22 THR 22 49.823 -1.702 -1.808 169 HG23 THR 22 HG23 THR 22 50.463 -1.507 -3.440 170 H HIS 23 HN HIS 23 51.291 -3.900 -2.417 171 HA HIS 23 HA HIS 23 53.200 -4.903 -4.222 172 HB2 HIS 23 HB2 HIS 23 50.198 -5.262 -4.119 173 HB3 HIS 23 HB1 HIS 23 51.263 -6.181 -5.182 174 HD1 HIS 23 HD1 HIS 23 53.596 -6.835 -3.383 175 HD2 HIS 23 HD2 HIS 23 49.634 -7.106 -2.121 176 HE1 HIS 23 HE1 HIS 23 53.584 -8.391 -1.384 177 H TYR 24 HN TYR 24 53.869 -2.910 -5.302 178 HA TYR 24 HA TYR 24 52.122 -1.444 -6.995 179 HB2 TYR 24 HB2 TYR 24 54.349 -0.639 -6.162 180 HB3 TYR 24 HB1 TYR 24 55.117 -1.764 -7.282 181 HD1 TYR 24 HD1 TYR 24 54.863 -1.487 -9.741 182 HD2 TYR 24 HD2 TYR 24 53.259 1.388 -6.950 183 HE1 TYR 24 HE1 TYR 24 54.598 0.161 -11.590 184 HE2 TYR 24 HE2 TYR 24 52.996 3.036 -8.800 185 HH TYR 24 HH TYR 24 54.177 3.455 -10.979 186 H LEU 25 HN LEU 25 51.467 -1.788 -9.041 187 HA LEU 25 HA LEU 25 52.860 -3.454 -10.891 188 HB2 LEU 25 HB2 LEU 25 51.980 -5.286 -9.608 189 HB3 LEU 25 HB1 LEU 25 50.382 -4.553 -9.546 190 HG LEU 25 HG LEU 25 50.036 -4.921 -11.907 191 HD11 LEU 25 HD11 LEU 25 52.972 -5.658 -11.906 192 HD12 LEU 25 HD12 LEU 25 52.147 -4.455 -12.899 193 HD13 LEU 25 HD13 LEU 25 51.890 -6.171 -13.202 194 HD21 LEU 25 HD21 LEU 25 50.064 -7.337 -11.984 195 HD22 LEU 25 HD22 LEU 25 49.758 -6.859 -10.314 196 HD23 LEU 25 HD23 LEU 25 51.364 -7.408 -10.795 Start of MODEL 24 1 H1 GLY 1 HT1 GLY 1 44.772 21.762 5.849 2 H2 GLY 1 HT2 GLY 1 45.235 20.132 5.976 3 H3 GLY 1 HT3 GLY 1 46.209 21.232 5.123 4 HA2 GLY 1 HA1 GLY 1 47.151 20.749 7.239 5 HA3 GLY 1 HA2 GLY 1 46.662 22.432 7.116 6 H TRP 2 HN TRP 2 43.907 22.159 7.471 7 HA TRP 2 HA TRP 2 43.389 20.685 9.917 8 HB2 TRP 2 HB2 TRP 2 43.439 23.713 9.936 9 HB3 TRP 2 HB1 TRP 2 42.816 22.697 11.235 10 HD1 TRP 2 HD1 TRP 2 45.968 24.144 9.863 11 HE1 TRP 2 HE1 TRP 2 47.993 23.323 11.234 12 HE3 TRP 2 HE3 TRP 2 43.720 20.464 12.622 13 HZ2 TRP 2 HZ2 TRP 2 48.591 21.357 13.243 14 HZ3 TRP 2 HZ3 TRP 2 45.037 19.129 14.260 15 HH2 TRP 2 HH2 TRP 2 47.469 19.573 14.573 16 H GLY 3 HN GLY 3 41.620 19.751 8.982 17 HA2 GLY 3 HA1 GLY 3 39.491 19.546 8.161 18 HA3 GLY 3 HA2 GLY 3 39.161 21.031 9.043 19 H SER 4 HN SER 4 41.445 20.696 6.384 20 HA SER 4 HA SER 4 39.668 21.705 4.374 21 HB2 SER 4 HB2 SER 4 39.924 23.798 5.547 22 HB3 SER 4 HB1 SER 4 41.671 23.598 5.623 23 HG SER 4 HG SER 4 40.481 24.890 3.817 24 H PHE 5 HN PHE 5 41.589 19.551 4.756 25 HA PHE 5 HA PHE 5 44.056 19.929 3.544 26 HB2 PHE 5 HB2 PHE 5 43.901 17.528 2.896 27 HB3 PHE 5 HB1 PHE 5 43.470 17.815 4.581 28 HD1 PHE 5 HD1 PHE 5 42.146 17.076 1.192 29 HD2 PHE 5 HD2 PHE 5 41.194 17.509 5.380 30 HE1 PHE 5 HE1 PHE 5 39.910 16.051 0.791 31 HE2 PHE 5 HE2 PHE 5 38.958 16.484 4.977 32 HZ PHE 5 HZ PHE 5 38.292 15.821 2.670 33 H PHE 6 HN PHE 6 44.488 18.685 1.310 34 HA PHE 6 HA PHE 6 42.565 19.146 -0.767 35 HB2 PHE 6 HB2 PHE 6 43.267 21.470 -0.387 36 HB3 PHE 6 HB1 PHE 6 44.953 21.003 -0.607 37 HD1 PHE 6 HD1 PHE 6 41.634 21.206 -2.303 38 HD2 PHE 6 HD2 PHE 6 45.895 20.718 -2.803 39 HE1 PHE 6 HE1 PHE 6 41.376 21.466 -4.767 40 HE2 PHE 6 HE2 PHE 6 45.635 20.979 -5.267 41 HZ PHE 6 HZ PHE 6 43.381 21.388 -6.246 42 H ARG 7 HN ARG 7 46.097 19.514 -0.805 43 HA ARG 7 HA ARG 7 46.606 16.816 -1.595 44 HB2 ARG 7 HB2 ARG 7 45.544 17.957 -3.671 45 HB3 ARG 7 HB1 ARG 7 47.067 18.832 -3.802 46 HG2 ARG 7 HG2 ARG 7 48.261 16.611 -3.785 47 HG3 ARG 7 HG1 ARG 7 46.684 15.824 -3.854 48 HD2 ARG 7 HD2 ARG 7 46.183 16.891 -5.977 49 HD3 ARG 7 HD1 ARG 7 47.664 17.844 -5.890 50 HE ARG 7 HE ARG 7 47.476 15.101 -6.786 51 HH11 ARG 7 HH11 ARG 7 49.243 14.576 -4.557 52 HH12 ARG 7 HH12 ARG 7 50.811 15.018 -5.148 53 HH21 ARG 7 HH21 ARG 7 49.578 16.889 -7.794 54 HH22 ARG 7 HH22 ARG 7 51.000 16.327 -6.980 55 H ARG 8 HN ARG 8 47.605 18.496 0.386 56 HA ARG 8 HA ARG 8 50.420 18.279 -0.087 57 HB2 ARG 8 HB2 ARG 8 50.914 20.711 0.259 58 HB3 ARG 8 HB1 ARG 8 50.129 20.362 -1.282 59 HG2 ARG 8 HG2 ARG 8 47.940 20.966 -0.290 60 HG3 ARG 8 HG1 ARG 8 48.749 21.364 1.225 61 HD2 ARG 8 HD2 ARG 8 48.360 23.394 -0.126 62 HD3 ARG 8 HD1 ARG 8 50.086 23.082 0.067 63 HE ARG 8 HE ARG 8 50.212 22.781 -2.264 64 HH11 ARG 8 HH11 ARG 8 48.998 20.800 -3.441 65 HH12 ARG 8 HH12 ARG 8 47.433 21.298 -3.996 66 HH21 ARG 8 HH21 ARG 8 47.322 24.114 -1.974 67 HH22 ARG 8 HH22 ARG 8 46.486 23.175 -3.166 68 H ALA 9 HN ALA 9 47.701 18.598 1.833 69 HA ALA 9 HA ALA 9 48.641 19.638 4.248 70 HB1 ALA 9 HB1 ALA 9 46.701 17.346 3.923 71 HB2 ALA 9 HB2 ALA 9 46.273 19.046 3.728 72 HB3 ALA 9 HB3 ALA 9 46.822 18.449 5.294 73 H ALA 10 HN ALA 10 48.753 16.306 3.017 74 HA ALA 10 HA ALA 10 51.171 15.744 4.454 75 HB1 ALA 10 HB1 ALA 10 49.701 15.502 6.339 76 HB2 ALA 10 HB2 ALA 10 50.184 13.887 5.815 77 HB3 ALA 10 HB3 ALA 10 48.585 14.508 5.402 78 H HIS 11 HN HIS 11 49.038 15.280 1.997 79 HA HIS 11 HA HIS 11 49.437 12.509 1.405 80 HB2 HIS 11 HB2 HIS 11 48.622 14.791 -0.414 81 HB3 HIS 11 HB1 HIS 11 48.480 13.073 -0.788 82 HD1 HIS 11 HD1 HIS 11 46.094 12.411 -0.535 83 HD2 HIS 11 HD2 HIS 11 47.235 15.138 2.402 84 HE1 HIS 11 HE1 HIS 11 44.101 12.685 1.001 85 H VAL 12 HN VAL 12 50.727 15.482 -0.097 86 HA VAL 12 HA VAL 12 52.638 15.872 -1.304 87 HB VAL 12 HB VAL 12 53.726 13.602 0.394 88 HG11 VAL 12 HG11 VAL 12 55.215 13.991 -1.454 89 HG12 VAL 12 HG12 VAL 12 55.909 14.827 -0.065 90 HG13 VAL 12 HG13 VAL 12 55.044 15.739 -1.302 91 HG21 VAL 12 HG21 VAL 12 54.588 15.473 1.802 92 HG22 VAL 12 HG22 VAL 12 52.826 15.423 1.762 93 HG23 VAL 12 HG23 VAL 12 53.696 16.611 0.793 94 H GLY 13 HN GLY 13 53.256 12.410 -0.894 95 HA2 GLY 13 HA1 GLY 13 52.165 11.377 -3.196 96 HA3 GLY 13 HA2 GLY 13 53.707 12.059 -3.691 97 H ARG 14 HN ARG 14 52.371 10.002 -1.098 98 HA ARG 14 HA ARG 14 54.860 8.661 -0.642 99 HB2 ARG 14 HB2 ARG 14 52.020 8.021 0.181 100 HB3 ARG 14 HB1 ARG 14 53.419 7.075 0.689 101 HG2 ARG 14 HG2 ARG 14 54.425 9.177 1.625 102 HG3 ARG 14 HG1 ARG 14 52.919 10.013 1.246 103 HD2 ARG 14 HD2 ARG 14 53.203 7.611 3.076 104 HD3 ARG 14 HD1 ARG 14 52.920 9.274 3.591 105 HE ARG 14 HE ARG 14 50.910 7.455 2.546 106 HH11 ARG 14 HH11 ARG 14 51.567 10.484 3.858 107 HH12 ARG 14 HH12 ARG 14 50.146 11.252 3.237 108 HH21 ARG 14 HH21 ARG 14 49.214 8.545 1.280 109 HH22 ARG 14 HH22 ARG 14 48.812 10.154 1.779 110 H HIS 15 HN HIS 15 51.937 7.943 -2.498 111 HA HIS 15 HA HIS 15 52.594 5.282 -3.199 112 HB2 HIS 15 HB2 HIS 15 50.920 7.311 -4.699 113 HB3 HIS 15 HB1 HIS 15 50.939 5.575 -5.003 114 HD1 HIS 15 HD1 HIS 15 49.867 8.117 -2.434 115 HD2 HIS 15 HD2 HIS 15 49.570 4.009 -3.066 116 HE1 HIS 15 HE1 HIS 15 48.175 7.255 -0.758 117 H VAL 16 HN VAL 16 53.889 4.443 -4.731 118 HA VAL 16 HA VAL 16 55.604 4.351 -6.259 119 HB VAL 16 HB VAL 16 54.164 6.649 -7.611 120 HG11 VAL 16 HG11 VAL 16 55.061 5.605 -9.650 121 HG12 VAL 16 HG12 VAL 16 55.806 4.334 -8.682 122 HG13 VAL 16 HG13 VAL 16 56.371 5.998 -8.535 123 HG21 VAL 16 HG21 VAL 16 53.576 3.674 -7.634 124 HG22 VAL 16 HG22 VAL 16 52.903 4.819 -8.795 125 HG23 VAL 16 HG23 VAL 16 52.502 4.959 -7.084 126 H GLY 17 HN GLY 17 56.888 5.305 -4.394 127 HA2 GLY 17 HA1 GLY 17 58.798 7.074 -5.294 128 HA3 GLY 17 HA2 GLY 17 57.609 8.063 -4.458 129 H ARG 18 HN ARG 18 56.879 6.735 -2.305 130 HA ARG 18 HA ARG 18 59.205 6.841 -0.622 131 HB2 ARG 18 HB2 ARG 18 56.873 7.535 0.060 132 HB3 ARG 18 HB1 ARG 18 56.451 5.823 0.106 133 HG2 ARG 18 HG2 ARG 18 58.217 5.412 1.765 134 HG3 ARG 18 HG1 ARG 18 58.685 7.112 1.703 135 HD2 ARG 18 HD2 ARG 18 56.294 7.670 2.384 136 HD3 ARG 18 HD1 ARG 18 56.079 5.950 2.711 137 HE ARG 18 HE ARG 18 57.343 6.238 4.677 138 HH11 ARG 18 HH11 ARG 18 59.913 7.024 4.156 139 HH12 ARG 18 HH12 ARG 18 60.008 8.723 4.483 140 HH21 ARG 18 HH21 ARG 18 56.578 9.209 4.364 141 HH22 ARG 18 HH22 ARG 18 58.120 9.959 4.601 142 H ALA 19 HN ALA 19 57.279 4.309 -2.100 143 HA ALA 19 HA ALA 19 57.507 2.023 -2.154 144 HB1 ALA 19 HB1 ALA 19 59.765 1.194 -2.345 145 HB2 ALA 19 HB2 ALA 19 60.406 2.650 -1.584 146 HB3 ALA 19 HB3 ALA 19 59.662 2.743 -3.180 147 H ALA 20 HN ALA 20 56.440 1.153 -0.459 148 HA ALA 20 HA ALA 20 57.982 0.251 1.819 149 HB1 ALA 20 HB1 ALA 20 56.613 1.316 3.513 150 HB2 ALA 20 HB2 ALA 20 55.645 2.112 2.272 151 HB3 ALA 20 HB3 ALA 20 57.340 2.552 2.486 152 H LEU 21 HN LEU 21 56.556 -1.000 -0.332 153 HA LEU 21 HA LEU 21 55.046 -2.689 -0.719 154 HB2 LEU 21 HB2 LEU 21 55.001 -3.113 2.271 155 HB3 LEU 21 HB1 LEU 21 54.844 -4.315 0.991 156 HG LEU 21 HG LEU 21 57.344 -2.728 1.656 157 HD11 LEU 21 HD11 LEU 21 58.243 -4.898 2.341 158 HD12 LEU 21 HD12 LEU 21 56.729 -5.687 1.898 159 HD13 LEU 21 HD13 LEU 21 56.770 -4.551 3.247 160 HD21 LEU 21 HD21 LEU 21 58.357 -4.379 -0.034 161 HD22 LEU 21 HD22 LEU 21 57.365 -3.088 -0.708 162 HD23 LEU 21 HD23 LEU 21 56.700 -4.713 -0.543 163 H THR 22 HN THR 22 53.828 -0.278 -0.753 164 HA THR 22 HA THR 22 51.624 -0.081 1.068 165 HB THR 22 HB THR 22 51.901 1.204 -1.665 166 HG1 THR 22 HG1 THR 22 52.758 2.013 0.910 167 HG21 THR 22 HG21 THR 22 50.411 2.922 -0.590 168 HG22 THR 22 HG22 THR 22 50.233 1.830 0.784 169 HG23 THR 22 HG23 THR 22 49.643 1.350 -0.808 170 H HIS 23 HN HIS 23 49.561 -0.805 0.873 171 HA HIS 23 HA HIS 23 49.026 -3.005 -0.849 172 HB2 HIS 23 HB2 HIS 23 47.000 -1.341 0.660 173 HB3 HIS 23 HB1 HIS 23 46.830 -3.015 0.129 174 HD1 HIS 23 HD1 HIS 23 47.802 -4.824 1.618 175 HD2 HIS 23 HD2 HIS 23 48.845 -0.989 2.868 176 HE1 HIS 23 HE1 HIS 23 48.960 -5.090 3.854 177 H TYR 24 HN TYR 24 46.323 -2.425 -1.574 178 HA TYR 24 HA TYR 24 45.138 -1.673 -3.386 179 HB2 TYR 24 HB2 TYR 24 45.353 0.467 -2.126 180 HB3 TYR 24 HB1 TYR 24 46.811 0.828 -3.050 181 HD1 TYR 24 HD1 TYR 24 43.171 0.011 -3.422 182 HD2 TYR 24 HD2 TYR 24 46.658 1.818 -5.217 183 HE1 TYR 24 HE1 TYR 24 41.761 0.899 -5.272 184 HE2 TYR 24 HE2 TYR 24 45.245 2.706 -7.067 185 HH TYR 24 HH TYR 24 43.153 2.221 -8.151 186 H LEU 25 HN LEU 25 48.115 0.120 -4.104 187 HA LEU 25 HA LEU 25 49.051 -1.742 -6.061 188 HB2 LEU 25 HB2 LEU 25 46.942 -0.513 -7.062 189 HB3 LEU 25 HB1 LEU 25 48.058 0.827 -7.295 190 HG LEU 25 HG LEU 25 48.364 -1.991 -8.386 191 HD11 LEU 25 HD11 LEU 25 48.146 -0.853 -10.570 192 HD12 LEU 25 HD12 LEU 25 47.909 0.685 -9.742 193 HD13 LEU 25 HD13 LEU 25 46.714 -0.601 -9.571 194 HD21 LEU 25 HD21 LEU 25 50.219 0.406 -8.396 195 HD22 LEU 25 HD22 LEU 25 50.334 -0.856 -9.623 196 HD23 LEU 25 HD23 LEU 25 50.581 -1.256 -7.927 Start of MODEL 25 1 H1 GLY 1 HT1 GLY 1 53.627 16.036 8.991 2 H2 GLY 1 HT2 GLY 1 55.211 16.076 8.379 3 H3 GLY 1 HT3 GLY 1 53.887 15.971 7.319 4 HA2 GLY 1 HA1 GLY 1 55.170 18.212 8.051 5 HA3 GLY 1 HA2 GLY 1 53.593 18.111 7.281 6 H TRP 2 HN TRP 2 54.097 20.258 8.835 7 HA TRP 2 HA TRP 2 53.139 19.817 11.549 8 HB2 TRP 2 HB2 TRP 2 53.272 22.325 11.667 9 HB3 TRP 2 HB1 TRP 2 54.794 21.539 11.253 10 HD1 TRP 2 HD1 TRP 2 55.469 21.537 8.607 11 HE1 TRP 2 HE1 TRP 2 54.975 23.282 6.775 12 HE3 TRP 2 HE3 TRP 2 51.624 24.077 10.838 13 HZ2 TRP 2 HZ2 TRP 2 53.182 25.477 6.307 14 HZ3 TRP 2 HZ3 TRP 2 50.536 25.994 9.679 15 HH2 TRP 2 HH2 TRP 2 51.311 26.696 7.417 16 H GLY 3 HN GLY 3 52.028 21.869 8.843 17 HA2 GLY 3 HA1 GLY 3 49.386 22.109 9.949 18 HA3 GLY 3 HA2 GLY 3 49.933 22.720 8.393 19 H SER 4 HN SER 4 50.888 19.610 8.410 20 HA SER 4 HA SER 4 50.158 17.730 7.306 21 HB2 SER 4 HB2 SER 4 48.660 17.683 9.322 22 HB3 SER 4 HB1 SER 4 47.439 18.523 8.371 23 HG SER 4 HG SER 4 47.194 16.235 8.322 24 H PHE 5 HN PHE 5 49.962 20.484 6.044 25 HA PHE 5 HA PHE 5 49.256 21.409 4.065 26 HB2 PHE 5 HB2 PHE 5 48.628 18.553 3.290 27 HB3 PHE 5 HB1 PHE 5 48.969 19.903 2.208 28 HD1 PHE 5 HD1 PHE 5 50.411 17.281 4.279 29 HD2 PHE 5 HD2 PHE 5 51.259 21.001 2.261 30 HE1 PHE 5 HE1 PHE 5 52.852 16.801 4.423 31 HE2 PHE 5 HE2 PHE 5 53.700 20.522 2.406 32 HZ PHE 5 HZ PHE 5 54.497 18.455 3.547 33 H PHE 6 HN PHE 6 47.214 20.542 2.294 34 HA PHE 6 HA PHE 6 44.753 20.177 3.747 35 HB2 PHE 6 HB2 PHE 6 43.769 22.360 3.181 36 HB3 PHE 6 HB1 PHE 6 45.163 22.545 4.244 37 HD1 PHE 6 HD1 PHE 6 43.705 23.500 1.091 38 HD2 PHE 6 HD2 PHE 6 47.471 22.992 3.140 39 HE1 PHE 6 HE1 PHE 6 44.817 24.965 -0.589 40 HE2 PHE 6 HE2 PHE 6 48.582 24.455 1.458 41 HZ PHE 6 HZ PHE 6 47.270 25.383 -0.445 42 H ARG 7 HN ARG 7 44.130 18.606 2.353 43 HA ARG 7 HA ARG 7 43.492 17.574 0.394 44 HB2 ARG 7 HB2 ARG 7 42.564 20.396 -0.194 45 HB3 ARG 7 HB1 ARG 7 42.013 18.941 -1.025 46 HG2 ARG 7 HG2 ARG 7 41.211 18.036 1.152 47 HG3 ARG 7 HG1 ARG 7 41.683 19.548 1.927 48 HD2 ARG 7 HD2 ARG 7 39.328 19.704 1.429 49 HD3 ARG 7 HD1 ARG 7 40.175 20.754 0.295 50 HE ARG 7 HE ARG 7 39.937 18.229 -0.949 51 HH11 ARG 7 HH11 ARG 7 38.958 20.388 -2.508 52 HH12 ARG 7 HH12 ARG 7 37.232 20.276 -2.408 53 HH21 ARG 7 HH21 ARG 7 37.264 18.230 0.392 54 HH22 ARG 7 HH22 ARG 7 36.274 19.054 -0.766 55 H ARG 8 HN ARG 8 46.197 18.257 0.374 56 HA ARG 8 HA ARG 8 47.006 19.708 -1.918 57 HB2 ARG 8 HB2 ARG 8 48.466 19.082 0.041 58 HB3 ARG 8 HB1 ARG 8 48.502 17.437 -0.592 59 HG2 ARG 8 HG2 ARG 8 49.551 18.176 -2.643 60 HG3 ARG 8 HG1 ARG 8 49.346 19.870 -2.193 61 HD2 ARG 8 HD2 ARG 8 50.808 19.488 -0.215 62 HD3 ARG 8 HD1 ARG 8 51.072 17.832 -0.761 63 HE ARG 8 HE ARG 8 51.802 19.303 -2.964 64 HH11 ARG 8 HH11 ARG 8 52.277 21.356 -0.643 65 HH12 ARG 8 HH12 ARG 8 53.985 21.164 -0.433 66 HH21 ARG 8 HH21 ARG 8 54.145 18.217 -2.254 67 HH22 ARG 8 HH22 ARG 8 55.042 19.386 -1.344 68 H ALA 9 HN ALA 9 45.561 16.647 -1.558 69 HA ALA 9 HA ALA 9 45.066 14.959 -3.032 70 HB1 ALA 9 HB1 ALA 9 45.860 16.890 -5.209 71 HB2 ALA 9 HB2 ALA 9 44.322 16.992 -4.353 72 HB3 ALA 9 HB3 ALA 9 44.708 15.557 -5.303 73 H ALA 10 HN ALA 10 47.370 14.464 -1.923 74 HA ALA 10 HA ALA 10 48.848 13.050 -3.933 75 HB1 ALA 10 HB1 ALA 10 49.881 15.181 -4.331 76 HB2 ALA 10 HB2 ALA 10 51.027 14.186 -3.432 77 HB3 ALA 10 HB3 ALA 10 50.114 15.447 -2.604 78 H HIS 11 HN HIS 11 50.351 14.401 -1.068 79 HA HIS 11 HA HIS 11 50.899 11.794 -0.008 80 HB2 HIS 11 HB2 HIS 11 52.404 13.772 0.280 81 HB3 HIS 11 HB1 HIS 11 51.198 14.479 1.356 82 HD1 HIS 11 HD1 HIS 11 52.327 10.848 1.194 83 HD2 HIS 11 HD2 HIS 11 52.282 14.043 3.870 84 HE1 HIS 11 HE1 HIS 11 53.209 9.953 3.392 85 H VAL 12 HN VAL 12 48.176 13.726 0.048 86 HA VAL 12 HA VAL 12 47.214 13.467 2.674 87 HB VAL 12 HB VAL 12 45.556 13.463 0.133 88 HG11 VAL 12 HG11 VAL 12 44.964 14.176 3.019 89 HG12 VAL 12 HG12 VAL 12 44.236 12.876 2.075 90 HG13 VAL 12 HG13 VAL 12 43.889 14.558 1.675 91 HG21 VAL 12 HG21 VAL 12 45.535 15.880 0.315 92 HG22 VAL 12 HG22 VAL 12 47.218 15.354 0.307 93 HG23 VAL 12 HG23 VAL 12 46.447 15.819 1.823 94 H GLY 13 HN GLY 13 46.340 11.497 -0.178 95 HA2 GLY 13 HA1 GLY 13 46.433 9.052 1.344 96 HA3 GLY 13 HA2 GLY 13 44.796 9.574 0.968 97 H ARG 14 HN ARG 14 46.274 10.807 -1.540 98 HA ARG 14 HA ARG 14 45.441 8.823 -3.372 99 HB2 ARG 14 HB2 ARG 14 47.456 11.022 -3.876 100 HB3 ARG 14 HB1 ARG 14 46.458 10.201 -5.074 101 HG2 ARG 14 HG2 ARG 14 45.396 11.900 -2.792 102 HG3 ARG 14 HG1 ARG 14 45.541 12.430 -4.466 103 HD2 ARG 14 HD2 ARG 14 44.091 10.314 -5.012 104 HD3 ARG 14 HD1 ARG 14 43.668 10.375 -3.299 105 HE ARG 14 HE ARG 14 43.282 12.977 -4.285 106 HH11 ARG 14 HH11 ARG 14 42.425 10.068 -5.788 107 HH12 ARG 14 HH12 ARG 14 40.738 10.439 -5.913 108 HH21 ARG 14 HH21 ARG 14 40.970 13.351 -4.046 109 HH22 ARG 14 HH22 ARG 14 39.914 12.298 -4.926 110 H HIS 15 HN HIS 15 48.287 9.146 -1.501 111 HA HIS 15 HA HIS 15 50.258 7.977 -3.063 112 HB2 HIS 15 HB2 HIS 15 50.646 8.895 -0.802 113 HB3 HIS 15 HB1 HIS 15 49.773 7.530 -0.108 114 HD1 HIS 15 HD1 HIS 15 51.374 5.840 0.760 115 HD2 HIS 15 HD2 HIS 15 52.798 7.636 -2.722 116 HE1 HIS 15 HE1 HIS 15 53.593 4.737 0.241 117 H VAL 16 HN VAL 16 48.682 6.092 -0.504 118 HA VAL 16 HA VAL 16 49.162 3.620 -1.852 119 HB VAL 16 HB VAL 16 47.762 2.625 -0.044 120 HG11 VAL 16 HG11 VAL 16 49.776 4.686 0.907 121 HG12 VAL 16 HG12 VAL 16 50.172 3.074 0.314 122 HG13 VAL 16 HG13 VAL 16 49.255 3.264 1.809 123 HG21 VAL 16 HG21 VAL 16 46.115 4.373 0.258 124 HG22 VAL 16 HG22 VAL 16 47.366 5.548 0.663 125 HG23 VAL 16 HG23 VAL 16 47.011 4.221 1.769 126 H GLY 17 HN GLY 17 46.555 5.910 -1.818 127 HA2 GLY 17 HA1 GLY 17 44.391 4.332 -2.563 128 HA3 GLY 17 HA2 GLY 17 44.601 6.020 -3.010 129 H ARG 18 HN ARG 18 46.234 6.352 -4.848 130 HA ARG 18 HA ARG 18 45.335 4.774 -7.094 131 HB2 ARG 18 HB2 ARG 18 47.515 6.869 -7.108 132 HB3 ARG 18 HB1 ARG 18 46.495 6.351 -8.450 133 HG2 ARG 18 HG2 ARG 18 45.545 7.798 -5.957 134 HG3 ARG 18 HG1 ARG 18 45.721 8.511 -7.559 135 HD2 ARG 18 HD2 ARG 18 44.101 6.645 -8.353 136 HD3 ARG 18 HD1 ARG 18 43.727 6.437 -6.640 137 HE ARG 18 HE ARG 18 42.513 8.452 -6.730 138 HH11 ARG 18 HH11 ARG 18 44.280 10.515 -7.414 139 HH12 ARG 18 HH12 ARG 18 43.919 10.925 -9.057 140 HH21 ARG 18 HH21 ARG 18 42.222 7.971 -9.701 141 HH22 ARG 18 HH22 ARG 18 42.752 9.486 -10.352 142 H ALA 19 HN ALA 19 48.677 5.702 -6.286 143 HA ALA 19 HA ALA 19 49.834 3.502 -7.623 144 HB1 ALA 19 HB1 ALA 19 51.138 5.477 -7.225 145 HB2 ALA 19 HB2 ALA 19 51.894 4.147 -6.347 146 HB3 ALA 19 HB3 ALA 19 50.917 5.333 -5.481 147 H ALA 20 HN ALA 20 51.648 2.333 -5.989 148 HA ALA 20 HA ALA 20 50.489 1.300 -3.573 149 HB1 ALA 20 HB1 ALA 20 50.324 -1.050 -4.391 150 HB2 ALA 20 HB2 ALA 20 50.547 -0.448 -6.034 151 HB3 ALA 20 HB3 ALA 20 49.127 0.031 -5.105 152 H LEU 21 HN LEU 21 52.658 0.179 -6.184 153 HA LEU 21 HA LEU 21 54.590 -0.886 -4.379 154 HB2 LEU 21 HB2 LEU 21 55.158 -0.050 -7.226 155 HB3 LEU 21 HB1 LEU 21 55.893 -1.359 -6.301 156 HG LEU 21 HG LEU 21 53.024 -1.236 -7.279 157 HD11 LEU 21 HD11 LEU 21 54.814 -1.762 -8.966 158 HD12 LEU 21 HD12 LEU 21 53.666 -3.077 -8.716 159 HD13 LEU 21 HD13 LEU 21 55.267 -3.151 -7.980 160 HD21 LEU 21 HD21 LEU 21 53.036 -3.654 -6.390 161 HD22 LEU 21 HD22 LEU 21 52.955 -2.376 -5.182 162 HD23 LEU 21 HD23 LEU 21 54.484 -3.199 -5.490 163 H THR 22 HN THR 22 55.026 0.799 -2.897 164 HA THR 22 HA THR 22 57.188 2.529 -3.699 165 HB THR 22 HB THR 22 54.667 3.868 -2.678 166 HG1 THR 22 HG1 THR 22 54.283 4.467 -4.728 167 HG21 THR 22 HG21 THR 22 55.926 5.920 -3.372 168 HG22 THR 22 HG22 THR 22 57.325 4.899 -3.704 169 HG23 THR 22 HG23 THR 22 56.702 5.034 -2.060 170 H HIS 23 HN HIS 23 55.076 1.129 -1.361 171 HA HIS 23 HA HIS 23 55.803 2.316 1.022 172 HB2 HIS 23 HB2 HIS 23 55.360 0.110 2.073 173 HB3 HIS 23 HB1 HIS 23 54.115 0.562 0.909 174 HD1 HIS 23 HD1 HIS 23 53.812 -0.922 -1.129 175 HD2 HIS 23 HD2 HIS 23 57.146 -1.970 1.138 176 HE1 HIS 23 HE1 HIS 23 54.685 -3.092 -2.101 177 H TYR 24 HN TYR 24 57.522 2.216 2.405 178 HA TYR 24 HA TYR 24 59.617 0.290 2.203 179 HB2 TYR 24 HB2 TYR 24 60.144 1.621 0.190 180 HB3 TYR 24 HB1 TYR 24 60.245 3.073 1.188 181 HD1 TYR 24 HD1 TYR 24 61.722 -0.319 0.653 182 HD2 TYR 24 HD2 TYR 24 62.225 3.575 2.447 183 HE1 TYR 24 HE1 TYR 24 64.086 -0.879 1.208 184 HE2 TYR 24 HE2 TYR 24 64.589 3.015 3.001 185 HH TYR 24 HH TYR 24 65.897 -0.224 2.463 186 H LEU 25 HN LEU 25 57.939 2.725 3.718 187 HA LEU 25 HA LEU 25 59.913 3.708 5.535 188 HB2 LEU 25 HB2 LEU 25 56.939 3.579 6.055 189 HB3 LEU 25 HB1 LEU 25 58.106 4.737 6.694 190 HG LEU 25 HG LEU 25 57.297 4.471 3.780 191 HD11 LEU 25 HD11 LEU 25 56.250 6.685 4.153 192 HD12 LEU 25 HD12 LEU 25 56.692 6.597 5.858 193 HD13 LEU 25 HD13 LEU 25 55.533 5.448 5.186 194 HD21 LEU 25 HD21 LEU 25 59.281 6.244 5.231 195 HD22 LEU 25 HD22 LEU 25 58.583 6.714 3.681 196 HD23 LEU 25 HD23 LEU 25 59.550 5.247 3.801 Start of MODEL 26 1 H1 GLY 1 HT1 GLY 1 48.470 17.065 7.678 2 H2 GLY 1 HT2 GLY 1 47.900 15.596 7.041 3 H3 GLY 1 HT3 GLY 1 49.560 15.813 7.334 4 HA2 GLY 1 HA1 GLY 1 47.393 15.611 9.300 5 HA3 GLY 1 HA2 GLY 1 48.705 14.473 9.031 6 H TRP 2 HN TRP 2 50.537 16.850 8.578 7 HA TRP 2 HA TRP 2 50.658 18.277 11.056 8 HB2 TRP 2 HB2 TRP 2 51.385 16.054 11.852 9 HB3 TRP 2 HB1 TRP 2 52.673 16.055 10.646 10 HD1 TRP 2 HD1 TRP 2 51.449 18.343 13.524 11 HE1 TRP 2 HE1 TRP 2 53.519 19.375 14.664 12 HE3 TRP 2 HE3 TRP 2 55.141 16.377 10.572 13 HZ2 TRP 2 HZ2 TRP 2 56.378 19.373 14.368 14 HZ3 TRP 2 HZ3 TRP 2 57.532 16.906 11.021 15 HH2 TRP 2 HH2 TRP 2 58.154 18.401 12.914 16 H GLY 3 HN GLY 3 51.271 17.967 7.898 17 HA2 GLY 3 HA1 GLY 3 52.696 20.342 7.614 18 HA3 GLY 3 HA2 GLY 3 53.868 19.032 7.560 19 H SER 4 HN SER 4 51.622 17.314 6.386 20 HA SER 4 HA SER 4 52.360 17.584 3.673 21 HB2 SER 4 HB2 SER 4 51.584 15.455 4.487 22 HB3 SER 4 HB1 SER 4 50.042 16.148 4.981 23 HG SER 4 HG SER 4 49.825 15.134 2.979 24 H PHE 5 HN PHE 5 50.528 19.631 5.459 25 HA PHE 5 HA PHE 5 48.231 20.204 4.033 26 HB2 PHE 5 HB2 PHE 5 48.894 21.307 6.154 27 HB3 PHE 5 HB1 PHE 5 50.112 22.227 5.270 28 HD1 PHE 5 HD1 PHE 5 49.487 24.022 3.729 29 HD2 PHE 5 HD2 PHE 5 46.486 21.713 5.803 30 HE1 PHE 5 HE1 PHE 5 47.756 25.695 3.086 31 HE2 PHE 5 HE2 PHE 5 44.755 23.387 5.160 32 HZ PHE 5 HZ PHE 5 45.383 25.355 3.767 33 H PHE 6 HN PHE 6 48.034 20.450 1.901 34 HA PHE 6 HA PHE 6 49.340 22.571 0.520 35 HB2 PHE 6 HB2 PHE 6 51.167 20.815 0.628 36 HB3 PHE 6 HB1 PHE 6 50.140 19.796 -0.382 37 HD1 PHE 6 HD1 PHE 6 52.202 22.853 -0.253 38 HD2 PHE 6 HD2 PHE 6 49.646 20.400 -2.719 39 HE1 PHE 6 HE1 PHE 6 53.000 24.061 -2.282 40 HE2 PHE 6 HE2 PHE 6 50.445 21.607 -4.747 41 HZ PHE 6 HZ PHE 6 52.131 23.428 -4.530 42 H ARG 7 HN ARG 7 47.095 20.067 0.821 43 HA ARG 7 HA ARG 7 45.398 21.130 -1.197 44 HB2 ARG 7 HB2 ARG 7 47.007 19.906 -2.647 45 HB3 ARG 7 HB1 ARG 7 46.617 18.420 -1.787 46 HG2 ARG 7 HG2 ARG 7 45.329 18.522 -3.859 47 HG3 ARG 7 HG1 ARG 7 44.235 18.664 -2.490 48 HD2 ARG 7 HD2 ARG 7 43.806 20.933 -2.903 49 HD3 ARG 7 HD1 ARG 7 45.336 21.173 -3.751 50 HE ARG 7 HE ARG 7 43.717 19.331 -5.228 51 HH11 ARG 7 HH11 ARG 7 43.346 20.239 -7.321 52 HH12 ARG 7 HH12 ARG 7 42.809 21.883 -7.410 53 HH21 ARG 7 HH21 ARG 7 43.288 22.500 -4.031 54 HH22 ARG 7 HH22 ARG 7 42.777 23.164 -5.547 55 H ARG 8 HN ARG 8 46.236 18.323 0.790 56 HA ARG 8 HA ARG 8 43.698 18.347 2.101 57 HB2 ARG 8 HB2 ARG 8 42.974 17.313 0.002 58 HB3 ARG 8 HB1 ARG 8 44.229 16.086 0.158 59 HG2 ARG 8 HG2 ARG 8 43.212 15.183 2.146 60 HG3 ARG 8 HG1 ARG 8 42.085 16.537 2.249 61 HD2 ARG 8 HD2 ARG 8 41.060 15.847 0.111 62 HD3 ARG 8 HD1 ARG 8 42.181 14.489 0.012 63 HE ARG 8 HE ARG 8 40.918 14.205 2.488 64 HH11 ARG 8 HH11 ARG 8 38.373 14.857 2.071 65 HH12 ARG 8 HH12 ARG 8 37.670 13.712 0.977 66 HH21 ARG 8 HH21 ARG 8 40.721 12.541 -0.181 67 HH22 ARG 8 HH22 ARG 8 38.999 12.402 -0.298 68 H ALA 9 HN ALA 9 45.392 15.364 1.335 69 HA ALA 9 HA ALA 9 47.192 15.414 3.538 70 HB1 ALA 9 HB1 ALA 9 46.101 13.909 5.049 71 HB2 ALA 9 HB2 ALA 9 44.757 13.674 3.929 72 HB3 ALA 9 HB3 ALA 9 44.982 15.233 4.723 73 H ALA 10 HN ALA 10 46.259 14.345 0.652 74 HA ALA 10 HA ALA 10 48.244 12.285 0.542 75 HB1 ALA 10 HB1 ALA 10 46.654 10.472 -0.148 76 HB2 ALA 10 HB2 ALA 10 45.334 11.492 0.425 77 HB3 ALA 10 HB3 ALA 10 46.558 10.915 1.556 78 H HIS 11 HN HIS 11 45.450 13.850 -0.941 79 HA HIS 11 HA HIS 11 45.801 13.082 -3.594 80 HB2 HIS 11 HB2 HIS 11 44.825 15.706 -2.448 81 HB3 HIS 11 HB1 HIS 11 44.698 15.268 -4.151 82 HD1 HIS 11 HD1 HIS 11 44.296 12.463 -1.787 83 HD2 HIS 11 HD2 HIS 11 41.792 15.239 -3.628 84 HE1 HIS 11 HE1 HIS 11 41.940 11.561 -1.563 85 H VAL 12 HN VAL 12 47.964 14.737 -1.648 86 HA VAL 12 HA VAL 12 49.099 16.624 -3.398 87 HB VAL 12 HB VAL 12 49.664 16.545 -0.999 88 HG11 VAL 12 HG11 VAL 12 51.085 14.803 -0.097 89 HG12 VAL 12 HG12 VAL 12 51.252 14.053 -1.684 90 HG13 VAL 12 HG13 VAL 12 49.693 14.036 -0.859 91 HG21 VAL 12 HG21 VAL 12 52.002 17.044 -1.228 92 HG22 VAL 12 HG22 VAL 12 51.238 17.518 -2.744 93 HG23 VAL 12 HG23 VAL 12 52.149 16.012 -2.651 94 H GLY 13 HN GLY 13 49.160 13.193 -3.423 95 HA2 GLY 13 HA1 GLY 13 50.637 13.142 -5.885 96 HA3 GLY 13 HA2 GLY 13 51.550 12.478 -4.537 97 H ARG 14 HN ARG 14 48.304 12.002 -3.974 98 HA ARG 14 HA ARG 14 47.006 10.104 -3.927 99 HB2 ARG 14 HB2 ARG 14 48.236 9.629 -6.652 100 HB3 ARG 14 HB1 ARG 14 46.720 8.957 -6.049 101 HG2 ARG 14 HG2 ARG 14 45.812 11.257 -5.820 102 HG3 ARG 14 HG1 ARG 14 47.314 11.899 -6.488 103 HD2 ARG 14 HD2 ARG 14 45.608 11.719 -8.247 104 HD3 ARG 14 HD1 ARG 14 46.935 10.602 -8.563 105 HE ARG 14 HE ARG 14 45.326 8.899 -8.454 106 HH11 ARG 14 HH11 ARG 14 43.381 11.409 -8.009 107 HH12 ARG 14 HH12 ARG 14 42.398 10.745 -6.746 108 HH21 ARG 14 HH21 ARG 14 44.528 8.079 -6.129 109 HH22 ARG 14 HH22 ARG 14 43.048 8.859 -5.681 110 H HIS 15 HN HIS 15 49.772 9.965 -2.901 111 HA HIS 15 HA HIS 15 50.953 7.475 -3.579 112 HB2 HIS 15 HB2 HIS 15 51.164 9.143 -1.063 113 HB3 HIS 15 HB1 HIS 15 52.188 7.757 -1.434 114 HD1 HIS 15 HD1 HIS 15 53.392 7.995 -3.951 115 HD2 HIS 15 HD2 HIS 15 52.239 11.499 -2.010 116 HE1 HIS 15 HE1 HIS 15 54.690 9.876 -5.039 117 H VAL 16 HN VAL 16 49.853 8.102 -0.292 118 HA VAL 16 HA VAL 16 49.170 5.403 0.198 119 HB VAL 16 HB VAL 16 48.151 7.819 1.718 120 HG11 VAL 16 HG11 VAL 16 48.193 6.175 3.612 121 HG12 VAL 16 HG12 VAL 16 48.589 4.909 2.449 122 HG13 VAL 16 HG13 VAL 16 47.043 5.751 2.344 123 HG21 VAL 16 HG21 VAL 16 50.731 6.254 2.043 124 HG22 VAL 16 HG22 VAL 16 50.164 7.523 3.128 125 HG23 VAL 16 HG23 VAL 16 50.604 7.915 1.466 126 H GLY 17 HN GLY 17 47.369 8.098 -1.080 127 HA2 GLY 17 HA1 GLY 17 44.752 7.231 -0.592 128 HA3 GLY 17 HA2 GLY 17 45.248 8.267 -1.924 129 H ARG 18 HN ARG 18 46.590 6.897 -3.635 130 HA ARG 18 HA ARG 18 44.760 5.170 -4.886 131 HB2 ARG 18 HB2 ARG 18 46.587 6.405 -6.048 132 HB3 ARG 18 HB1 ARG 18 47.752 5.293 -5.329 133 HG2 ARG 18 HG2 ARG 18 46.704 3.399 -6.444 134 HG3 ARG 18 HG1 ARG 18 45.422 4.436 -7.071 135 HD2 ARG 18 HD2 ARG 18 48.371 4.722 -7.722 136 HD3 ARG 18 HD1 ARG 18 47.161 4.004 -8.784 137 HE ARG 18 HE ARG 18 46.347 6.651 -7.999 138 HH11 ARG 18 HH11 ARG 18 45.693 6.854 -10.485 139 HH12 ARG 18 HH12 ARG 18 47.074 7.236 -11.458 140 HH21 ARG 18 HH21 ARG 18 49.373 6.296 -9.038 141 HH22 ARG 18 HH22 ARG 18 49.157 6.920 -10.639 142 H ALA 19 HN ALA 19 48.019 4.131 -3.912 143 HA ALA 19 HA ALA 19 47.096 1.997 -2.252 144 HB1 ALA 19 HB1 ALA 19 47.966 1.349 -5.068 145 HB2 ALA 19 HB2 ALA 19 46.421 0.966 -4.307 146 HB3 ALA 19 HB3 ALA 19 47.894 0.160 -3.766 147 H ALA 20 HN ALA 20 49.761 1.749 -4.548 148 HA ALA 20 HA ALA 20 52.025 1.533 -4.198 149 HB1 ALA 20 HB1 ALA 20 51.809 3.955 -3.952 150 HB2 ALA 20 HB2 ALA 20 53.037 3.327 -2.854 151 HB3 ALA 20 HB3 ALA 20 51.442 3.759 -2.239 152 H LEU 21 HN LEU 21 51.473 -0.603 -3.227 153 HA LEU 21 HA LEU 21 51.399 -0.895 -0.379 154 HB2 LEU 21 HB2 LEU 21 52.175 -3.076 -2.317 155 HB3 LEU 21 HB1 LEU 21 51.320 -3.220 -0.781 156 HG LEU 21 HG LEU 21 50.260 -1.969 -3.333 157 HD11 LEU 21 HD11 LEU 21 50.325 -4.476 -3.193 158 HD12 LEU 21 HD12 LEU 21 48.693 -3.819 -3.317 159 HD13 LEU 21 HD13 LEU 21 49.303 -4.376 -1.759 160 HD21 LEU 21 HD21 LEU 21 49.356 -0.671 -1.537 161 HD22 LEU 21 HD22 LEU 21 49.132 -2.097 -0.522 162 HD23 LEU 21 HD23 LEU 21 48.107 -1.849 -1.935 163 H THR 22 HN THR 22 53.867 0.032 -2.362 164 HA THR 22 HA THR 22 56.061 -1.502 -1.451 165 HB THR 22 HB THR 22 57.468 0.355 -2.247 166 HG1 THR 22 HG1 THR 22 55.319 1.763 -1.617 167 HG21 THR 22 HG21 THR 22 56.518 -1.184 -3.910 168 HG22 THR 22 HG22 THR 22 56.628 0.447 -4.571 169 HG23 THR 22 HG23 THR 22 55.073 -0.181 -4.026 170 H HIS 23 HN HIS 23 54.052 0.594 0.218 171 HA HIS 23 HA HIS 23 54.178 1.680 2.243 172 HB2 HIS 23 HB2 HIS 23 54.569 -0.710 2.897 173 HB3 HIS 23 HB1 HIS 23 56.303 -0.397 2.818 174 HD1 HIS 23 HD1 HIS 23 57.369 0.754 4.800 175 HD2 HIS 23 HD2 HIS 23 53.210 0.968 4.918 176 HE1 HIS 23 HE1 HIS 23 56.764 1.697 7.072 177 H TYR 24 HN TYR 24 55.959 2.598 0.081 178 HA TYR 24 HA TYR 24 57.676 4.088 -0.245 179 HB2 TYR 24 HB2 TYR 24 56.294 5.307 1.482 180 HB3 TYR 24 HB1 TYR 24 57.382 4.664 2.711 181 HD1 TYR 24 HD1 TYR 24 59.477 5.725 3.152 182 HD2 TYR 24 HD2 TYR 24 57.306 6.657 -0.461 183 HE1 TYR 24 HE1 TYR 24 61.092 7.555 2.655 184 HE2 TYR 24 HE2 TYR 24 58.922 8.487 -0.958 185 HH TYR 24 HH TYR 24 60.688 9.953 0.606 186 H LEU 25 HN LEU 25 59.295 2.575 -0.694 187 HA LEU 25 HA LEU 25 61.276 1.447 -0.393 188 HB2 LEU 25 HB2 LEU 25 61.684 3.259 1.993 189 HB3 LEU 25 HB1 LEU 25 62.917 2.509 0.981 190 HG LEU 25 HG LEU 25 60.925 4.600 0.046 191 HD11 LEU 25 HD11 LEU 25 62.893 6.084 -0.043 192 HD12 LEU 25 HD12 LEU 25 63.899 4.793 0.613 193 HD13 LEU 25 HD13 LEU 25 62.620 5.500 1.598 194 HD21 LEU 25 HD21 LEU 25 62.601 4.639 -1.930 195 HD22 LEU 25 HD22 LEU 25 61.492 3.274 -1.848 196 HD23 LEU 25 HD23 LEU 25 63.164 3.082 -1.322 Start of MODEL 27 1 H1 GLY 1 HT1 GLY 1 46.611 22.587 8.414 2 H2 GLY 1 HT2 GLY 1 47.883 22.358 9.516 3 H3 GLY 1 HT3 GLY 1 47.406 23.928 9.077 4 HA2 GLY 1 HA1 GLY 1 45.826 24.000 10.552 5 HA3 GLY 1 HA2 GLY 1 45.258 22.401 10.090 6 H TRP 2 HN TRP 2 48.557 22.448 10.835 7 HA TRP 2 HA TRP 2 48.419 22.215 13.673 8 HB2 TRP 2 HB2 TRP 2 47.271 20.110 13.087 9 HB3 TRP 2 HB1 TRP 2 48.665 19.627 12.121 10 HD1 TRP 2 HD1 TRP 2 48.212 20.986 15.727 11 HE1 TRP 2 HE1 TRP 2 49.667 19.559 17.307 12 HE3 TRP 2 HE3 TRP 2 50.234 17.721 12.341 13 HZ2 TRP 2 HZ2 TRP 2 51.462 17.319 17.163 14 HZ3 TRP 2 HZ3 TRP 2 51.816 15.948 13.085 15 HH2 TRP 2 HH2 TRP 2 52.431 15.744 15.490 16 H GLY 3 HN GLY 3 50.135 21.034 10.782 17 HA2 GLY 3 HA1 GLY 3 52.449 22.486 11.099 18 HA3 GLY 3 HA2 GLY 3 52.696 21.025 12.044 19 H SER 4 HN SER 4 50.676 20.845 9.244 20 HA SER 4 HA SER 4 52.714 20.211 7.345 21 HB2 SER 4 HB2 SER 4 52.251 17.790 7.169 22 HB3 SER 4 HB1 SER 4 52.954 18.211 8.728 23 HG SER 4 HG SER 4 50.423 18.488 9.097 24 H PHE 5 HN PHE 5 51.490 18.642 5.581 25 HA PHE 5 HA PHE 5 48.701 19.093 5.237 26 HB2 PHE 5 HB2 PHE 5 48.920 20.635 3.256 27 HB3 PHE 5 HB1 PHE 5 49.286 21.386 4.810 28 HD1 PHE 5 HD1 PHE 5 50.745 20.008 1.687 29 HD2 PHE 5 HD2 PHE 5 51.541 22.093 5.381 30 HE1 PHE 5 HE1 PHE 5 53.021 20.597 0.864 31 HE2 PHE 5 HE2 PHE 5 53.817 22.684 4.556 32 HZ PHE 5 HZ PHE 5 54.575 21.891 2.319 33 H PHE 6 HN PHE 6 47.950 18.355 3.094 34 HA PHE 6 HA PHE 6 49.833 16.956 1.381 35 HB2 PHE 6 HB2 PHE 6 47.771 15.387 2.953 36 HB3 PHE 6 HB1 PHE 6 48.835 14.743 1.704 37 HD1 PHE 6 HD1 PHE 6 48.611 15.939 5.178 38 HD2 PHE 6 HD2 PHE 6 51.274 14.547 2.078 39 HE1 PHE 6 HE1 PHE 6 50.401 15.582 6.876 40 HE2 PHE 6 HE2 PHE 6 53.064 14.190 3.776 41 HZ PHE 6 HZ PHE 6 52.605 14.647 6.182 42 H ARG 7 HN ARG 7 46.367 16.863 2.257 43 HA ARG 7 HA ARG 7 45.442 16.511 -0.388 44 HB2 ARG 7 HB2 ARG 7 43.241 17.306 0.575 45 HB3 ARG 7 HB1 ARG 7 43.983 15.954 1.430 46 HG2 ARG 7 HG2 ARG 7 44.805 17.390 3.171 47 HG3 ARG 7 HG1 ARG 7 44.384 18.840 2.258 48 HD2 ARG 7 HD2 ARG 7 42.705 18.439 3.993 49 HD3 ARG 7 HD1 ARG 7 41.985 18.205 2.401 50 HE ARG 7 HE ARG 7 43.012 15.721 3.497 51 HH11 ARG 7 HH11 ARG 7 40.997 14.545 2.591 52 HH12 ARG 7 HH12 ARG 7 39.556 14.898 3.487 53 HH21 ARG 7 HH21 ARG 7 40.904 17.672 5.073 54 HH22 ARG 7 HH22 ARG 7 39.504 16.667 4.893 55 H ARG 8 HN ARG 8 46.916 19.161 1.009 56 HA ARG 8 HA ARG 8 45.420 21.299 -0.133 57 HB2 ARG 8 HB2 ARG 8 47.082 21.484 1.762 58 HB3 ARG 8 HB1 ARG 8 48.362 21.313 0.561 59 HG2 ARG 8 HG2 ARG 8 47.516 23.292 -0.639 60 HG3 ARG 8 HG1 ARG 8 46.224 23.464 0.550 61 HD2 ARG 8 HD2 ARG 8 48.022 23.634 2.331 62 HD3 ARG 8 HD1 ARG 8 49.202 23.735 1.023 63 HE ARG 8 HE ARG 8 47.134 25.685 0.612 64 HH11 ARG 8 HH11 ARG 8 47.153 27.538 2.121 65 HH12 ARG 8 HH12 ARG 8 48.716 28.036 2.681 66 HH21 ARG 8 HH21 ARG 8 50.327 25.190 1.530 67 HH22 ARG 8 HH22 ARG 8 50.512 26.707 2.346 68 H ALA 9 HN ALA 9 48.673 20.129 -1.040 69 HA ALA 9 HA ALA 9 48.500 21.362 -3.640 70 HB1 ALA 9 HB1 ALA 9 50.651 21.280 -2.641 71 HB2 ALA 9 HB2 ALA 9 50.697 20.133 -3.980 72 HB3 ALA 9 HB3 ALA 9 50.518 19.552 -2.323 73 H ALA 10 HN ALA 10 46.337 19.696 -3.419 74 HA ALA 10 HA ALA 10 45.199 18.048 -4.533 75 HB1 ALA 10 HB1 ALA 10 45.865 17.570 -6.762 76 HB2 ALA 10 HB2 ALA 10 47.549 17.965 -6.421 77 HB3 ALA 10 HB3 ALA 10 46.333 19.243 -6.458 78 H HIS 11 HN HIS 11 46.155 16.980 -2.395 79 HA HIS 11 HA HIS 11 47.155 15.165 -1.355 80 HB2 HIS 11 HB2 HIS 11 46.382 13.017 -2.365 81 HB3 HIS 11 HB1 HIS 11 45.096 14.206 -2.170 82 HD1 HIS 11 HD1 HIS 11 47.050 12.359 -4.750 83 HD2 HIS 11 HD2 HIS 11 44.278 15.467 -4.661 84 HE1 HIS 11 HE1 HIS 11 46.202 12.630 -7.120 85 H VAL 12 HN VAL 12 49.372 15.675 -1.602 86 HA VAL 12 HA VAL 12 50.833 14.653 -3.914 87 HB VAL 12 HB VAL 12 52.842 15.525 -2.631 88 HG11 VAL 12 HG11 VAL 12 52.151 17.936 -2.916 89 HG12 VAL 12 HG12 VAL 12 50.512 17.365 -3.233 90 HG13 VAL 12 HG13 VAL 12 51.827 16.919 -4.320 91 HG21 VAL 12 HG21 VAL 12 52.446 16.882 -0.661 92 HG22 VAL 12 HG22 VAL 12 51.714 15.303 -0.380 93 HG23 VAL 12 HG23 VAL 12 50.702 16.680 -0.816 94 H GLY 13 HN GLY 13 49.633 12.511 -2.818 95 HA2 GLY 13 HA1 GLY 13 51.631 10.679 -2.373 96 HA3 GLY 13 HA2 GLY 13 51.176 11.240 -0.770 97 H ARG 14 HN ARG 14 48.605 11.385 -0.613 98 HA ARG 14 HA ARG 14 47.674 8.750 -0.527 99 HB2 ARG 14 HB2 ARG 14 46.774 10.767 0.738 100 HB3 ARG 14 HB1 ARG 14 45.896 11.187 -0.733 101 HG2 ARG 14 HG2 ARG 14 44.902 8.856 -0.688 102 HG3 ARG 14 HG1 ARG 14 45.621 8.657 0.910 103 HD2 ARG 14 HD2 ARG 14 43.347 9.398 1.230 104 HD3 ARG 14 HD1 ARG 14 44.406 10.753 1.624 105 HE ARG 14 HE ARG 14 43.401 11.919 -0.149 106 HH11 ARG 14 HH11 ARG 14 43.577 11.537 -2.601 107 HH12 ARG 14 HH12 ARG 14 42.474 10.336 -3.184 108 HH21 ARG 14 HH21 ARG 14 41.787 9.058 -0.034 109 HH22 ARG 14 HH22 ARG 14 41.460 8.933 -1.729 110 H HIS 15 HN HIS 15 47.610 7.528 -2.330 111 HA HIS 15 HA HIS 15 46.817 8.558 -4.899 112 HB2 HIS 15 HB2 HIS 15 48.455 6.690 -4.582 113 HB3 HIS 15 HB1 HIS 15 47.119 5.675 -4.037 114 HD1 HIS 15 HD1 HIS 15 45.790 7.862 -6.532 115 HD2 HIS 15 HD2 HIS 15 48.104 4.400 -6.680 116 HE1 HIS 15 HE1 HIS 15 45.512 6.913 -8.864 117 H VAL 16 HN VAL 16 45.364 6.404 -2.483 118 HA VAL 16 HA VAL 16 42.709 7.255 -3.077 119 HB VAL 16 HB VAL 16 42.972 5.838 -5.060 120 HG11 VAL 16 HG11 VAL 16 44.808 4.430 -4.135 121 HG12 VAL 16 HG12 VAL 16 43.522 3.468 -4.863 122 HG13 VAL 16 HG13 VAL 16 43.632 3.611 -3.108 123 HG21 VAL 16 HG21 VAL 16 41.046 4.449 -4.754 124 HG22 VAL 16 HG22 VAL 16 40.816 5.827 -3.678 125 HG23 VAL 16 HG23 VAL 16 41.354 4.279 -3.026 126 H GLY 17 HN GLY 17 45.048 5.432 -1.421 127 HA2 GLY 17 HA1 GLY 17 43.425 5.266 0.941 128 HA3 GLY 17 HA2 GLY 17 43.731 3.691 0.217 129 H ARG 18 HN ARG 18 45.663 6.637 0.748 130 HA ARG 18 HA ARG 18 47.732 6.955 1.679 131 HB2 ARG 18 HB2 ARG 18 46.492 5.915 3.650 132 HB3 ARG 18 HB1 ARG 18 47.252 4.388 3.205 133 HG2 ARG 18 HG2 ARG 18 49.486 5.499 3.373 134 HG3 ARG 18 HG1 ARG 18 48.678 6.960 3.943 135 HD2 ARG 18 HD2 ARG 18 49.508 5.614 5.839 136 HD3 ARG 18 HD1 ARG 18 47.748 5.711 5.853 137 HE ARG 18 HE ARG 18 48.530 3.375 4.404 138 HH11 ARG 18 HH11 ARG 18 49.645 4.367 7.408 139 HH12 ARG 18 HH12 ARG 18 49.024 3.009 8.285 140 HH21 ARG 18 HH21 ARG 18 47.219 1.762 5.599 141 HH22 ARG 18 HH22 ARG 18 47.651 1.534 7.261 142 H ALA 19 HN ALA 19 48.148 6.177 -0.709 143 HA ALA 19 HA ALA 19 49.549 5.084 -2.160 144 HB1 ALA 19 HB1 ALA 19 51.071 4.268 0.314 145 HB2 ALA 19 HB2 ALA 19 51.183 5.872 -0.411 146 HB3 ALA 19 HB3 ALA 19 51.696 4.453 -1.324 147 H ALA 20 HN ALA 20 50.854 2.782 -2.259 148 HA ALA 20 HA ALA 20 49.553 0.574 -1.005 149 HB1 ALA 20 HB1 ALA 20 48.771 1.240 -3.844 150 HB2 ALA 20 HB2 ALA 20 47.705 1.120 -2.444 151 HB3 ALA 20 HB3 ALA 20 48.491 -0.324 -3.082 152 H LEU 21 HN LEU 21 51.424 1.788 -3.741 153 HA LEU 21 HA LEU 21 52.692 -0.695 -4.356 154 HB2 LEU 21 HB2 LEU 21 53.855 2.033 -4.935 155 HB3 LEU 21 HB1 LEU 21 54.030 0.545 -5.867 156 HG LEU 21 HG LEU 21 51.490 2.170 -5.526 157 HD11 LEU 21 HD11 LEU 21 51.731 2.490 -7.973 158 HD12 LEU 21 HD12 LEU 21 53.252 1.600 -7.928 159 HD13 LEU 21 HD13 LEU 21 53.110 3.146 -7.092 160 HD21 LEU 21 HD21 LEU 21 50.803 -0.116 -5.633 161 HD22 LEU 21 HD22 LEU 21 52.032 -0.509 -6.836 162 HD23 LEU 21 HD23 LEU 21 50.646 0.487 -7.282 163 H THR 22 HN THR 22 53.311 -1.427 -2.240 164 HA THR 22 HA THR 22 55.219 0.037 -0.666 165 HB THR 22 HB THR 22 54.498 -2.906 -0.514 166 HG1 THR 22 HG1 THR 22 52.656 -1.777 -0.178 167 HG21 THR 22 HG21 THR 22 55.905 -0.987 1.353 168 HG22 THR 22 HG22 THR 22 56.489 -2.535 0.739 169 HG23 THR 22 HG23 THR 22 55.181 -2.491 1.919 170 H HIS 23 HN HIS 23 55.428 -1.921 -3.441 171 HA HIS 23 HA HIS 23 57.191 -2.799 -4.622 172 HB2 HIS 23 HB2 HIS 23 58.879 -0.940 -2.933 173 HB3 HIS 23 HB1 HIS 23 59.289 -1.610 -4.511 174 HD1 HIS 23 HD1 HIS 23 57.472 -0.926 -6.484 175 HD2 HIS 23 HD2 HIS 23 57.671 1.533 -3.125 176 HE1 HIS 23 HE1 HIS 23 56.376 1.263 -7.132 177 H TYR 24 HN TYR 24 59.689 -3.566 -4.112 178 HA TYR 24 HA TYR 24 60.050 -4.788 -1.544 179 HB2 TYR 24 HB2 TYR 24 58.274 -6.243 -2.597 180 HB3 TYR 24 HB1 TYR 24 59.452 -6.668 -3.838 181 HD1 TYR 24 HD1 TYR 24 58.580 -6.948 -0.252 182 HD2 TYR 24 HD2 TYR 24 61.392 -8.070 -3.329 183 HE1 TYR 24 HE1 TYR 24 59.558 -8.663 1.267 184 HE2 TYR 24 HE2 TYR 24 62.369 -9.787 -1.808 185 HH TYR 24 HH TYR 24 61.758 -11.073 0.155 186 H LEU 25 HN LEU 25 62.146 -5.441 -1.259 187 HA LEU 25 HA LEU 25 64.086 -4.568 -3.143 188 HB2 LEU 25 HB2 LEU 25 64.640 -6.505 -0.891 189 HB3 LEU 25 HB1 LEU 25 65.709 -5.279 -1.573 190 HG LEU 25 HG LEU 25 63.209 -4.793 0.074 191 HD11 LEU 25 HD11 LEU 25 64.765 -3.842 1.692 192 HD12 LEU 25 HD12 LEU 25 66.117 -4.111 0.594 193 HD13 LEU 25 HD13 LEU 25 65.269 -5.485 1.302 194 HD21 LEU 25 HD21 LEU 25 65.021 -2.902 -1.453 195 HD22 LEU 25 HD22 LEU 25 64.016 -2.357 -0.108 196 HD23 LEU 25 HD23 LEU 25 63.264 -3.037 -1.550 Start of MODEL 28 1 H1 GLY 1 HT1 GLY 1 41.577 23.698 9.053 2 H2 GLY 1 HT2 GLY 1 42.559 23.671 10.441 3 H3 GLY 1 HT3 GLY 1 43.261 23.822 8.901 4 HA2 GLY 1 HA1 GLY 1 41.517 25.773 10.235 5 HA3 GLY 1 HA2 GLY 1 43.256 25.906 10.015 6 H TRP 2 HN TRP 2 43.846 25.406 7.555 7 HA TRP 2 HA TRP 2 41.951 26.472 5.639 8 HB2 TRP 2 HB2 TRP 2 44.399 28.064 6.438 9 HB3 TRP 2 HB1 TRP 2 43.446 28.370 4.987 10 HD1 TRP 2 HD1 TRP 2 43.482 28.909 8.705 11 HE1 TRP 2 HE1 TRP 2 41.410 30.269 9.410 12 HE3 TRP 2 HE3 TRP 2 40.832 28.788 4.327 13 HZ2 TRP 2 HZ2 TRP 2 38.939 31.193 8.270 14 HZ3 TRP 2 HZ3 TRP 2 38.619 29.916 4.158 15 HH2 TRP 2 HH2 TRP 2 37.671 31.118 6.124 16 H GLY 3 HN GLY 3 45.131 25.292 6.481 17 HA2 GLY 3 HA1 GLY 3 45.306 23.641 4.193 18 HA3 GLY 3 HA2 GLY 3 46.304 25.071 3.967 19 H SER 4 HN SER 4 46.346 24.757 7.160 20 HA SER 4 HA SER 4 48.996 23.860 7.340 21 HB2 SER 4 HB2 SER 4 48.597 23.748 9.760 22 HB3 SER 4 HB1 SER 4 47.900 25.215 9.079 23 HG SER 4 HG SER 4 46.616 23.683 10.562 24 H PHE 5 HN PHE 5 49.124 21.909 6.139 25 HA PHE 5 HA PHE 5 49.075 19.633 5.819 26 HB2 PHE 5 HB2 PHE 5 48.994 19.773 8.841 27 HB3 PHE 5 HB1 PHE 5 49.274 18.291 7.928 28 HD1 PHE 5 HD1 PHE 5 51.280 18.093 6.424 29 HD2 PHE 5 HD2 PHE 5 50.730 21.431 9.103 30 HE1 PHE 5 HE1 PHE 5 53.691 18.679 6.191 31 HE2 PHE 5 HE2 PHE 5 53.141 22.017 8.869 32 HZ PHE 5 HZ PHE 5 54.611 20.665 7.380 33 H PHE 6 HN PHE 6 47.129 19.356 4.759 34 HA PHE 6 HA PHE 6 45.138 17.834 6.137 35 HB2 PHE 6 HB2 PHE 6 44.518 20.155 6.832 36 HB3 PHE 6 HB1 PHE 6 44.279 20.556 5.131 37 HD1 PHE 6 HD1 PHE 6 42.226 20.022 4.034 38 HD2 PHE 6 HD2 PHE 6 43.188 18.183 7.820 39 HE1 PHE 6 HE1 PHE 6 39.937 19.042 4.140 40 HE2 PHE 6 HE2 PHE 6 40.899 17.204 7.925 41 HZ PHE 6 HZ PHE 6 39.295 17.585 6.056 42 H ARG 7 HN ARG 7 46.288 16.715 4.231 43 HA ARG 7 HA ARG 7 46.182 15.817 2.119 44 HB2 ARG 7 HB2 ARG 7 43.332 16.829 2.269 45 HB3 ARG 7 HB1 ARG 7 43.941 15.611 1.149 46 HG2 ARG 7 HG2 ARG 7 44.597 14.198 3.097 47 HG3 ARG 7 HG1 ARG 7 43.870 15.393 4.172 48 HD2 ARG 7 HD2 ARG 7 41.685 15.048 3.156 49 HD3 ARG 7 HD1 ARG 7 42.379 13.958 1.957 50 HE ARG 7 HE ARG 7 42.995 12.955 4.555 51 HH11 ARG 7 HH11 ARG 7 40.017 14.009 3.408 52 HH12 ARG 7 HH12 ARG 7 39.213 12.484 3.582 53 HH21 ARG 7 HH21 ARG 7 42.113 10.746 4.357 54 HH22 ARG 7 HH22 ARG 7 40.401 10.636 4.118 55 H ARG 8 HN ARG 8 47.576 17.955 1.850 56 HA ARG 8 HA ARG 8 46.500 20.101 0.347 57 HB2 ARG 8 HB2 ARG 8 49.353 19.085 0.403 58 HB3 ARG 8 HB1 ARG 8 48.823 20.683 -0.124 59 HG2 ARG 8 HG2 ARG 8 47.871 21.069 2.158 60 HG3 ARG 8 HG1 ARG 8 48.558 19.525 2.665 61 HD2 ARG 8 HD2 ARG 8 50.816 20.395 1.918 62 HD3 ARG 8 HD1 ARG 8 50.059 21.973 1.704 63 HE ARG 8 HE ARG 8 49.457 21.045 4.329 64 HH11 ARG 8 HH11 ARG 8 52.041 20.220 4.891 65 HH12 ARG 8 HH12 ARG 8 52.983 21.657 5.110 66 HH21 ARG 8 HH21 ARG 8 50.691 23.720 3.525 67 HH22 ARG 8 HH22 ARG 8 52.218 23.638 4.337 68 H ALA 9 HN ALA 9 46.672 16.943 -0.491 69 HA ALA 9 HA ALA 9 46.610 15.778 -2.469 70 HB1 ALA 9 HB1 ALA 9 44.699 17.294 -2.824 71 HB2 ALA 9 HB2 ALA 9 45.521 16.906 -4.335 72 HB3 ALA 9 HB3 ALA 9 45.784 18.470 -3.564 73 H ALA 10 HN ALA 10 48.967 17.805 -1.763 74 HA ALA 10 HA ALA 10 50.217 18.231 -4.324 75 HB1 ALA 10 HB1 ALA 10 52.082 19.071 -3.054 76 HB2 ALA 10 HB2 ALA 10 51.460 18.338 -1.575 77 HB3 ALA 10 HB3 ALA 10 50.595 19.678 -2.327 78 H HIS 11 HN HIS 11 51.140 16.228 -1.508 79 HA HIS 11 HA HIS 11 51.686 13.913 -3.061 80 HB2 HIS 11 HB2 HIS 11 54.206 13.964 -2.690 81 HB3 HIS 11 HB1 HIS 11 53.591 15.059 -3.927 82 HD1 HIS 11 HD1 HIS 11 54.028 15.319 -0.134 83 HD2 HIS 11 HD2 HIS 11 54.663 17.568 -3.584 84 HE1 HIS 11 HE1 HIS 11 55.065 17.505 0.616 85 H VAL 12 HN VAL 12 51.485 15.662 -0.184 86 HA VAL 12 HA VAL 12 52.714 13.785 1.599 87 HB VAL 12 HB VAL 12 50.577 15.831 2.262 88 HG11 VAL 12 HG11 VAL 12 51.707 15.756 4.491 89 HG12 VAL 12 HG12 VAL 12 52.727 14.447 3.894 90 HG13 VAL 12 HG13 VAL 12 50.985 14.211 4.040 91 HG21 VAL 12 HG21 VAL 12 52.459 16.896 1.078 92 HG22 VAL 12 HG22 VAL 12 53.600 16.115 2.175 93 HG23 VAL 12 HG23 VAL 12 52.480 17.332 2.787 94 H GLY 13 HN GLY 13 51.730 12.276 2.957 95 HA2 GLY 13 HA1 GLY 13 50.141 10.782 3.691 96 HA3 GLY 13 HA2 GLY 13 48.913 11.759 2.899 97 H ARG 14 HN ARG 14 49.934 11.676 0.268 98 HA ARG 14 HA ARG 14 48.815 9.253 -0.651 99 HB2 ARG 14 HB2 ARG 14 50.645 11.162 -2.123 100 HB3 ARG 14 HB1 ARG 14 49.595 9.953 -2.862 101 HG2 ARG 14 HG2 ARG 14 47.621 11.070 -1.880 102 HG3 ARG 14 HG1 ARG 14 48.674 12.289 -1.161 103 HD2 ARG 14 HD2 ARG 14 47.801 13.210 -3.214 104 HD3 ARG 14 HD1 ARG 14 49.501 12.827 -3.483 105 HE ARG 14 HE ARG 14 48.016 10.553 -4.262 106 HH11 ARG 14 HH11 ARG 14 46.460 13.200 -5.083 107 HH12 ARG 14 HH12 ARG 14 46.915 13.269 -6.753 108 HH21 ARG 14 HH21 ARG 14 49.445 10.919 -6.435 109 HH22 ARG 14 HH22 ARG 14 48.604 11.977 -7.518 110 H HIS 15 HN HIS 15 52.172 10.296 -0.207 111 HA HIS 15 HA HIS 15 53.476 8.145 -1.417 112 HB2 HIS 15 HB2 HIS 15 54.596 10.203 -0.574 113 HB3 HIS 15 HB1 HIS 15 54.360 9.620 1.074 114 HD1 HIS 15 HD1 HIS 15 55.087 6.699 0.858 115 HD2 HIS 15 HD2 HIS 15 57.255 9.665 -1.112 116 HE1 HIS 15 HE1 HIS 15 57.385 5.732 0.417 117 H VAL 16 HN VAL 16 53.380 8.470 2.119 118 HA VAL 16 HA VAL 16 53.553 5.615 2.469 119 HB VAL 16 HB VAL 16 53.276 6.237 4.938 120 HG11 VAL 16 HG11 VAL 16 55.490 5.911 4.043 121 HG12 VAL 16 HG12 VAL 16 55.529 7.393 4.999 122 HG13 VAL 16 HG13 VAL 16 55.455 7.482 3.240 123 HG21 VAL 16 HG21 VAL 16 52.037 8.386 4.380 124 HG22 VAL 16 HG22 VAL 16 53.580 9.052 3.849 125 HG23 VAL 16 HG23 VAL 16 53.359 8.572 5.532 126 H GLY 17 HN GLY 17 51.409 5.644 1.044 127 HA2 GLY 17 HA1 GLY 17 49.331 4.728 2.784 128 HA3 GLY 17 HA2 GLY 17 48.920 6.259 2.023 129 H ARG 18 HN ARG 18 49.587 6.191 -0.463 130 HA ARG 18 HA ARG 18 47.864 4.236 -1.647 131 HB2 ARG 18 HB2 ARG 18 48.149 6.542 -2.538 132 HB3 ARG 18 HB1 ARG 18 49.800 6.131 -2.998 133 HG2 ARG 18 HG2 ARG 18 49.004 4.391 -4.499 134 HG3 ARG 18 HG1 ARG 18 47.343 4.639 -3.960 135 HD2 ARG 18 HD2 ARG 18 47.975 5.765 -6.163 136 HD3 ARG 18 HD1 ARG 18 47.245 6.813 -4.946 137 HE ARG 18 HE ARG 18 49.250 8.033 -4.973 138 HH11 ARG 18 HH11 ARG 18 51.537 8.083 -4.752 139 HH12 ARG 18 HH12 ARG 18 52.464 6.834 -5.514 140 HH21 ARG 18 HH21 ARG 18 49.691 4.973 -6.444 141 HH22 ARG 18 HH22 ARG 18 51.419 5.074 -6.473 142 H ALA 19 HN ALA 19 51.373 4.838 -1.853 143 HA ALA 19 HA ALA 19 52.059 2.700 -3.497 144 HB1 ALA 19 HB1 ALA 19 54.297 2.934 -2.627 145 HB2 ALA 19 HB2 ALA 19 53.695 3.775 -1.199 146 HB3 ALA 19 HB3 ALA 19 53.581 4.537 -2.785 147 H ALA 20 HN ALA 20 52.727 2.682 0.003 148 HA ALA 20 HA ALA 20 52.782 0.952 1.516 149 HB1 ALA 20 HB1 ALA 20 50.311 1.189 1.045 150 HB2 ALA 20 HB2 ALA 20 50.818 -0.396 1.632 151 HB3 ALA 20 HB3 ALA 20 50.476 -0.159 -0.081 152 H LEU 21 HN LEU 21 51.711 -1.787 0.664 153 HA LEU 21 HA LEU 21 54.261 -2.859 -0.160 154 HB2 LEU 21 HB2 LEU 21 51.673 -4.411 -0.038 155 HB3 LEU 21 HB1 LEU 21 53.317 -4.983 0.251 156 HG LEU 21 HG LEU 21 51.727 -3.090 2.008 157 HD11 LEU 21 HD11 LEU 21 51.951 -4.934 3.656 158 HD12 LEU 21 HD12 LEU 21 52.762 -5.910 2.431 159 HD13 LEU 21 HD13 LEU 21 51.074 -5.446 2.214 160 HD21 LEU 21 HD21 LEU 21 54.005 -2.364 2.132 161 HD22 LEU 21 HD22 LEU 21 54.609 -4.020 2.120 162 HD23 LEU 21 HD23 LEU 21 53.766 -3.400 3.539 163 H THR 22 HN THR 22 53.877 -1.289 -2.165 164 HA THR 22 HA THR 22 52.212 -1.909 -4.278 165 HB THR 22 HB THR 22 53.686 0.048 -4.340 166 HG1 THR 22 HG1 THR 22 54.532 -1.640 -6.428 167 HG21 THR 22 HG21 THR 22 55.622 -1.149 -3.241 168 HG22 THR 22 HG22 THR 22 56.068 -0.147 -4.621 169 HG23 THR 22 HG23 THR 22 55.958 -1.897 -4.803 170 H HIS 23 HN HIS 23 52.267 -3.312 -6.003 171 HA HIS 23 HA HIS 23 53.249 -5.892 -5.628 172 HB2 HIS 23 HB2 HIS 23 52.801 -6.206 -8.056 173 HB3 HIS 23 HB1 HIS 23 51.466 -5.419 -7.214 174 HD1 HIS 23 HD1 HIS 23 52.321 -2.541 -7.100 175 HD2 HIS 23 HD2 HIS 23 52.859 -4.894 -10.497 176 HE1 HIS 23 HE1 HIS 23 52.573 -0.941 -9.048 177 H TYR 24 HN TYR 24 55.139 -6.895 -6.038 178 HA TYR 24 HA TYR 24 57.479 -5.341 -6.540 179 HB2 TYR 24 HB2 TYR 24 57.410 -7.430 -5.153 180 HB3 TYR 24 HB1 TYR 24 57.196 -8.354 -6.640 181 HD1 TYR 24 HD1 TYR 24 59.078 -8.934 -7.995 182 HD2 TYR 24 HD2 TYR 24 59.467 -5.903 -4.944 183 HE1 TYR 24 HE1 TYR 24 61.541 -8.875 -8.365 184 HE2 TYR 24 HE2 TYR 24 61.930 -5.845 -5.317 185 HH TYR 24 HH TYR 24 63.508 -8.045 -7.632 186 H LEU 25 HN LEU 25 58.443 -4.849 -8.411 187 HA LEU 25 HA LEU 25 58.322 -6.517 -10.730 188 HB2 LEU 25 HB2 LEU 25 56.101 -5.625 -10.989 189 HB3 LEU 25 HB1 LEU 25 56.659 -3.988 -10.665 190 HG LEU 25 HG LEU 25 57.873 -3.906 -12.753 191 HD11 LEU 25 HD11 LEU 25 58.812 -6.077 -12.988 192 HD12 LEU 25 HD12 LEU 25 57.669 -5.952 -14.323 193 HD13 LEU 25 HD13 LEU 25 57.237 -6.864 -12.874 194 HD21 LEU 25 HD21 LEU 25 56.025 -4.217 -14.359 195 HD22 LEU 25 HD22 LEU 25 55.444 -3.480 -12.866 196 HD23 LEU 25 HD23 LEU 25 55.158 -5.194 -13.174 Start of MODEL 29 1 H1 GLY 1 HT1 GLY 1 46.011 29.517 8.904 2 H2 GLY 1 HT2 GLY 1 45.938 30.723 10.100 3 H3 GLY 1 HT3 GLY 1 45.430 31.061 8.513 4 HA2 GLY 1 HA1 GLY 1 43.531 30.789 9.820 5 HA3 GLY 1 HA2 GLY 1 43.690 29.399 8.753 6 H TRP 2 HN TRP 2 44.766 27.466 9.680 7 HA TRP 2 HA TRP 2 44.995 27.199 12.526 8 HB2 TRP 2 HB2 TRP 2 42.519 27.241 12.273 9 HB3 TRP 2 HB1 TRP 2 42.634 25.838 11.208 10 HD1 TRP 2 HD1 TRP 2 42.424 23.591 12.368 11 HE1 TRP 2 HE1 TRP 2 42.744 22.707 14.769 12 HE3 TRP 2 HE3 TRP 2 44.105 27.855 14.651 13 HZ2 TRP 2 HZ2 TRP 2 43.603 23.675 17.333 14 HZ3 TRP 2 HZ3 TRP 2 44.668 27.850 17.076 15 HH2 TRP 2 HH2 TRP 2 44.419 25.766 18.419 16 H GLY 3 HN GLY 3 45.615 26.279 9.421 17 HA2 GLY 3 HA1 GLY 3 47.507 24.364 9.995 18 HA3 GLY 3 HA2 GLY 3 46.017 23.470 9.734 19 H SER 4 HN SER 4 45.316 25.836 7.830 20 HA SER 4 HA SER 4 45.290 26.084 5.541 21 HB2 SER 4 HB2 SER 4 47.555 27.021 6.158 22 HB3 SER 4 HB1 SER 4 48.241 25.453 5.741 23 HG SER 4 HG SER 4 48.228 26.191 3.777 24 H PHE 5 HN PHE 5 44.044 24.294 4.981 25 HA PHE 5 HA PHE 5 45.095 21.657 4.730 26 HB2 PHE 5 HB2 PHE 5 42.642 22.867 3.433 27 HB3 PHE 5 HB1 PHE 5 42.988 21.146 3.603 28 HD1 PHE 5 HD1 PHE 5 43.080 20.089 5.873 29 HD2 PHE 5 HD2 PHE 5 41.809 24.173 5.293 30 HE1 PHE 5 HE1 PHE 5 42.073 20.099 8.151 31 HE2 PHE 5 HE2 PHE 5 40.803 24.183 7.572 32 HZ PHE 5 HZ PHE 5 40.891 22.130 8.982 33 H PHE 6 HN PHE 6 46.496 20.981 3.250 34 HA PHE 6 HA PHE 6 47.078 22.499 0.875 35 HB2 PHE 6 HB2 PHE 6 47.985 19.716 1.656 36 HB3 PHE 6 HB1 PHE 6 48.695 20.733 0.403 37 HD1 PHE 6 HD1 PHE 6 49.863 22.864 1.007 38 HD2 PHE 6 HD2 PHE 6 48.457 20.091 4.001 39 HE1 PHE 6 HE1 PHE 6 51.308 23.970 2.709 40 HE2 PHE 6 HE2 PHE 6 49.903 21.197 5.703 41 HZ PHE 6 HZ PHE 6 51.274 23.180 5.072 42 H ARG 7 HN ARG 7 44.351 21.677 1.003 43 HA ARG 7 HA ARG 7 42.713 20.776 -0.326 44 HB2 ARG 7 HB2 ARG 7 44.883 20.361 -2.388 45 HB3 ARG 7 HB1 ARG 7 43.158 20.600 -2.663 46 HG2 ARG 7 HG2 ARG 7 43.356 22.878 -1.654 47 HG3 ARG 7 HG1 ARG 7 45.100 22.636 -1.535 48 HD2 ARG 7 HD2 ARG 7 43.555 22.434 -4.134 49 HD3 ARG 7 HD1 ARG 7 44.377 23.898 -3.596 50 HE ARG 7 HE ARG 7 45.658 21.585 -4.758 51 HH11 ARG 7 HH11 ARG 7 46.839 21.630 -2.011 52 HH12 ARG 7 HH12 ARG 7 48.178 22.711 -2.205 53 HH21 ARG 7 HH21 ARG 7 47.016 24.042 -5.187 54 HH22 ARG 7 HH22 ARG 7 48.279 24.074 -4.003 55 H ARG 8 HN ARG 8 45.105 19.049 0.999 56 HA ARG 8 HA ARG 8 45.586 16.813 1.276 57 HB2 ARG 8 HB2 ARG 8 42.621 16.564 0.719 58 HB3 ARG 8 HB1 ARG 8 43.627 15.401 1.584 59 HG2 ARG 8 HG2 ARG 8 44.112 17.084 3.312 60 HG3 ARG 8 HG1 ARG 8 43.132 18.266 2.443 61 HD2 ARG 8 HD2 ARG 8 41.929 17.119 4.346 62 HD3 ARG 8 HD1 ARG 8 41.130 16.961 2.780 63 HE ARG 8 HE ARG 8 42.907 14.739 3.222 64 HH11 ARG 8 HH11 ARG 8 40.647 15.780 5.397 65 HH12 ARG 8 HH12 ARG 8 39.585 14.421 5.250 66 HH21 ARG 8 HH21 ARG 8 41.211 13.112 2.481 67 HH22 ARG 8 HH22 ARG 8 39.903 12.911 3.599 68 H ALA 9 HN ALA 9 45.854 17.859 -1.449 69 HA ALA 9 HA ALA 9 44.843 16.241 -3.454 70 HB1 ALA 9 HB1 ALA 9 46.772 16.882 -4.766 71 HB2 ALA 9 HB2 ALA 9 47.659 17.322 -3.307 72 HB3 ALA 9 HB3 ALA 9 46.248 18.260 -3.799 73 H ALA 10 HN ALA 10 47.904 15.767 -1.679 74 HA ALA 10 HA ALA 10 47.583 12.953 -1.476 75 HB1 ALA 10 HB1 ALA 10 49.437 12.308 -3.012 76 HB2 ALA 10 HB2 ALA 10 49.436 13.955 -3.641 77 HB3 ALA 10 HB3 ALA 10 48.016 12.930 -3.850 78 H HIS 11 HN HIS 11 49.131 15.866 -0.896 79 HA HIS 11 HA HIS 11 51.660 15.081 0.056 80 HB2 HIS 11 HB2 HIS 11 49.878 17.361 0.946 81 HB3 HIS 11 HB1 HIS 11 51.585 17.192 1.358 82 HD1 HIS 11 HD1 HIS 11 50.341 16.228 -2.046 83 HD2 HIS 11 HD2 HIS 11 52.399 19.382 -0.259 84 HE1 HIS 11 HE1 HIS 11 51.219 17.672 -3.933 85 H VAL 12 HN VAL 12 48.589 15.554 1.807 86 HA VAL 12 HA VAL 12 49.619 14.657 4.313 87 HB VAL 12 HB VAL 12 46.710 14.659 3.459 88 HG11 VAL 12 HG11 VAL 12 46.341 15.039 5.873 89 HG12 VAL 12 HG12 VAL 12 48.083 14.978 6.147 90 HG13 VAL 12 HG13 VAL 12 47.226 13.539 5.596 91 HG21 VAL 12 HG21 VAL 12 46.673 16.976 4.398 92 HG22 VAL 12 HG22 VAL 12 47.671 16.849 2.950 93 HG23 VAL 12 HG23 VAL 12 48.430 16.916 4.540 94 H GLY 13 HN GLY 13 50.687 12.688 3.448 95 HA2 GLY 13 HA1 GLY 13 49.260 10.365 4.148 96 HA3 GLY 13 HA2 GLY 13 49.308 10.493 2.395 97 H ARG 14 HN ARG 14 51.273 10.278 1.310 98 HA ARG 14 HA ARG 14 53.358 9.400 0.929 99 HB2 ARG 14 HB2 ARG 14 54.025 10.301 3.736 100 HB3 ARG 14 HB1 ARG 14 55.131 10.082 2.382 101 HG2 ARG 14 HG2 ARG 14 54.001 11.909 1.161 102 HG3 ARG 14 HG1 ARG 14 52.903 12.136 2.523 103 HD2 ARG 14 HD2 ARG 14 55.920 12.438 2.622 104 HD3 ARG 14 HD1 ARG 14 54.753 13.761 2.618 105 HE ARG 14 HE ARG 14 54.192 11.940 4.778 106 HH11 ARG 14 HH11 ARG 14 54.725 15.089 4.352 107 HH12 ARG 14 HH12 ARG 14 55.844 15.324 5.654 108 HH21 ARG 14 HH21 ARG 14 56.341 11.934 6.189 109 HH22 ARG 14 HH22 ARG 14 56.761 13.537 6.692 110 H HIS 15 HN HIS 15 54.662 7.569 1.332 111 HA HIS 15 HA HIS 15 55.027 5.398 1.973 112 HB2 HIS 15 HB2 HIS 15 53.921 6.264 4.651 113 HB3 HIS 15 HB1 HIS 15 55.023 4.926 4.329 114 HD1 HIS 15 HD1 HIS 15 56.979 6.365 2.402 115 HD2 HIS 15 HD2 HIS 15 55.690 7.937 6.040 116 HE1 HIS 15 HE1 HIS 15 58.708 8.081 3.094 117 H VAL 16 HN VAL 16 52.301 6.358 1.044 118 HA VAL 16 HA VAL 16 50.986 3.828 1.251 119 HB VAL 16 HB VAL 16 50.363 4.824 3.469 120 HG11 VAL 16 HG11 VAL 16 50.339 7.204 2.545 121 HG12 VAL 16 HG12 VAL 16 48.991 6.777 3.597 122 HG13 VAL 16 HG13 VAL 16 48.766 6.823 1.848 123 HG21 VAL 16 HG21 VAL 16 47.976 4.342 3.246 124 HG22 VAL 16 HG22 VAL 16 48.894 3.215 2.248 125 HG23 VAL 16 HG23 VAL 16 48.063 4.580 1.502 126 H GLY 17 HN GLY 17 50.682 7.281 0.545 127 HA2 GLY 17 HA1 GLY 17 48.654 6.911 -1.465 128 HA3 GLY 17 HA2 GLY 17 49.525 8.397 -1.112 129 H ARG 18 HN ARG 18 52.154 7.444 -1.440 130 HA ARG 18 HA ARG 18 52.601 7.850 -4.152 131 HB2 ARG 18 HB2 ARG 18 54.310 7.964 -2.295 132 HB3 ARG 18 HB1 ARG 18 54.380 6.203 -2.344 133 HG2 ARG 18 HG2 ARG 18 54.978 6.322 -4.759 134 HG3 ARG 18 HG1 ARG 18 54.996 8.082 -4.643 135 HD2 ARG 18 HD2 ARG 18 57.273 7.291 -4.399 136 HD3 ARG 18 HD1 ARG 18 56.725 7.876 -2.828 137 HE ARG 18 HE ARG 18 56.194 5.060 -3.070 138 HH11 ARG 18 HH11 ARG 18 57.097 5.032 -0.644 139 HH12 ARG 18 HH12 ARG 18 58.829 4.991 -0.637 140 HH21 ARG 18 HH21 ARG 18 59.130 6.020 -3.935 141 HH22 ARG 18 HH22 ARG 18 59.980 5.552 -2.500 142 H ALA 19 HN ALA 19 52.691 4.737 -2.398 143 HA ALA 19 HA ALA 19 51.434 3.341 -4.573 144 HB1 ALA 19 HB1 ALA 19 53.801 3.653 -5.379 145 HB2 ALA 19 HB2 ALA 19 53.269 1.975 -5.268 146 HB3 ALA 19 HB3 ALA 19 54.320 2.651 -4.023 147 H ALA 20 HN ALA 20 53.262 0.974 -3.577 148 HA ALA 20 HA ALA 20 52.379 0.579 -0.854 149 HB1 ALA 20 HB1 ALA 20 50.296 0.058 -1.927 150 HB2 ALA 20 HB2 ALA 20 51.039 -1.459 -1.419 151 HB3 ALA 20 HB3 ALA 20 51.106 -0.968 -3.111 152 H LEU 21 HN LEU 21 52.792 -1.869 -0.284 153 HA LEU 21 HA LEU 21 55.523 -2.352 -0.572 154 HB2 LEU 21 HB2 LEU 21 54.316 -3.351 1.251 155 HB3 LEU 21 HB1 LEU 21 53.240 -4.204 0.149 156 HG LEU 21 HG LEU 21 55.022 -5.656 -0.592 157 HD11 LEU 21 HD11 LEU 21 56.798 -3.748 0.945 158 HD12 LEU 21 HD12 LEU 21 56.922 -4.235 -0.746 159 HD13 LEU 21 HD13 LEU 21 57.332 -5.377 0.531 160 HD21 LEU 21 HD21 LEU 21 55.153 -5.281 2.418 161 HD22 LEU 21 HD22 LEU 21 55.659 -6.729 1.547 162 HD23 LEU 21 HD23 LEU 21 53.962 -6.250 1.550 163 H THR 22 HN THR 22 56.343 -2.436 -2.612 164 HA THR 22 HA THR 22 55.087 -3.830 -4.771 165 HB THR 22 HB THR 22 57.998 -3.008 -4.574 166 HG1 THR 22 HG1 THR 22 57.326 -1.045 -4.753 167 HG21 THR 22 HG21 THR 22 57.765 -2.873 -7.050 168 HG22 THR 22 HG22 THR 22 56.123 -3.500 -6.903 169 HG23 THR 22 HG23 THR 22 57.496 -4.505 -6.437 170 H HIS 23 HN HIS 23 55.582 -5.810 -5.671 171 HA HIS 23 HA HIS 23 57.718 -7.470 -4.709 172 HB2 HIS 23 HB2 HIS 23 56.097 -7.654 -2.825 173 HB3 HIS 23 HB1 HIS 23 54.899 -8.279 -3.958 174 HD1 HIS 23 HD1 HIS 23 58.162 -9.173 -2.304 175 HD2 HIS 23 HD2 HIS 23 55.369 -10.940 -4.845 176 HE1 HIS 23 HE1 HIS 23 58.741 -11.635 -2.402 177 H TYR 24 HN TYR 24 55.461 -6.555 -6.934 178 HA TYR 24 HA TYR 24 54.923 -9.012 -8.276 179 HB2 TYR 24 HB2 TYR 24 54.854 -6.143 -9.235 180 HB3 TYR 24 HB1 TYR 24 54.286 -7.518 -10.183 181 HD1 TYR 24 HD1 TYR 24 52.327 -8.855 -9.442 182 HD2 TYR 24 HD2 TYR 24 53.601 -5.322 -7.315 183 HE1 TYR 24 HE1 TYR 24 50.140 -8.784 -8.250 184 HE2 TYR 24 HE2 TYR 24 51.414 -5.250 -6.124 185 HH TYR 24 HH TYR 24 49.652 -6.918 -5.472 186 H LEU 25 HN LEU 25 55.612 -9.146 -10.707 187 HA LEU 25 HA LEU 25 58.441 -9.558 -10.734 188 HB2 LEU 25 HB2 LEU 25 56.654 -9.544 -13.170 189 HB3 LEU 25 HB1 LEU 25 58.126 -10.478 -12.896 190 HG LEU 25 HG LEU 25 55.491 -10.831 -11.431 191 HD11 LEU 25 HD11 LEU 25 55.369 -12.952 -12.612 192 HD12 LEU 25 HD12 LEU 25 56.949 -12.675 -13.346 193 HD13 LEU 25 HD13 LEU 25 55.579 -11.660 -13.794 194 HD21 LEU 25 HD21 LEU 25 56.732 -12.916 -10.562 195 HD22 LEU 25 HD22 LEU 25 57.218 -11.371 -9.871 196 HD23 LEU 25 HD23 LEU 25 58.212 -12.130 -11.115 Start of MODEL 30 1 H1 GLY 1 HT1 GLY 1 42.283 20.568 11.175 2 H2 GLY 1 HT2 GLY 1 40.702 21.002 10.724 3 H3 GLY 1 HT3 GLY 1 41.787 20.400 9.563 4 HA2 GLY 1 HA1 GLY 1 41.835 18.293 10.623 5 HA3 GLY 1 HA2 GLY 1 40.771 18.910 11.880 6 H TRP 2 HN TRP 2 39.083 20.455 10.169 7 HA TRP 2 HA TRP 2 37.292 18.380 9.299 8 HB2 TRP 2 HB2 TRP 2 37.132 21.381 8.932 9 HB3 TRP 2 HB1 TRP 2 35.816 20.237 8.665 10 HD1 TRP 2 HD1 TRP 2 34.628 19.199 10.760 11 HE1 TRP 2 HE1 TRP 2 34.672 19.776 13.274 12 HE3 TRP 2 HE3 TRP 2 38.706 22.292 10.875 13 HZ2 TRP 2 HZ2 TRP 2 36.233 21.347 15.106 14 HZ3 TRP 2 HZ3 TRP 2 39.453 23.318 13.016 15 HH2 TRP 2 HH2 TRP 2 38.222 22.849 15.130 16 H GLY 3 HN GLY 3 39.556 20.572 7.769 17 HA2 GLY 3 HA1 GLY 3 39.629 19.025 5.379 18 HA3 GLY 3 HA2 GLY 3 38.739 20.522 5.135 19 H SER 4 HN SER 4 40.875 21.212 7.503 20 HA SER 4 HA SER 4 42.468 22.916 5.945 21 HB2 SER 4 HB2 SER 4 43.159 21.718 8.636 22 HB3 SER 4 HB1 SER 4 43.845 23.180 7.933 23 HG SER 4 HG SER 4 41.059 22.889 8.247 24 H PHE 5 HN PHE 5 44.763 22.799 5.514 25 HA PHE 5 HA PHE 5 45.517 20.355 4.270 26 HB2 PHE 5 HB2 PHE 5 47.141 22.825 4.926 27 HB3 PHE 5 HB1 PHE 5 47.693 21.503 3.897 28 HD1 PHE 5 HD1 PHE 5 46.576 21.027 1.725 29 HD2 PHE 5 HD2 PHE 5 45.480 24.424 4.152 30 HE1 PHE 5 HE1 PHE 5 45.390 22.034 -0.222 31 HE2 PHE 5 HE2 PHE 5 44.295 25.432 2.206 32 HZ PHE 5 HZ PHE 5 44.220 24.221 0.029 33 H PHE 6 HN PHE 6 47.190 18.923 4.796 34 HA PHE 6 HA PHE 6 48.680 19.105 7.232 35 HB2 PHE 6 HB2 PHE 6 46.465 18.489 8.156 36 HB3 PHE 6 HB1 PHE 6 46.457 17.052 7.134 37 HD1 PHE 6 HD1 PHE 6 48.098 18.722 10.012 38 HD2 PHE 6 HD2 PHE 6 47.876 15.134 7.622 39 HE1 PHE 6 HE1 PHE 6 49.440 17.501 11.720 40 HE2 PHE 6 HE2 PHE 6 49.219 13.914 9.331 41 HZ PHE 6 HZ PHE 6 49.971 15.088 11.395 42 H ARG 7 HN ARG 7 50.551 18.371 6.441 43 HA ARG 7 HA ARG 7 52.084 17.083 5.320 44 HB2 ARG 7 HB2 ARG 7 51.080 15.492 7.109 45 HB3 ARG 7 HB1 ARG 7 50.222 14.741 5.766 46 HG2 ARG 7 HG2 ARG 7 52.370 14.320 4.621 47 HG3 ARG 7 HG1 ARG 7 53.232 15.097 5.948 48 HD2 ARG 7 HD2 ARG 7 52.477 13.395 7.506 49 HD3 ARG 7 HD1 ARG 7 51.445 12.671 6.274 50 HE ARG 7 HE ARG 7 54.057 12.660 5.222 51 HH11 ARG 7 HH11 ARG 7 55.356 11.990 7.587 52 HH12 ARG 7 HH12 ARG 7 55.013 10.317 7.877 53 HH21 ARG 7 HH21 ARG 7 52.296 10.230 5.723 54 HH22 ARG 7 HH22 ARG 7 53.281 9.321 6.822 55 H ARG 8 HN ARG 8 50.229 18.420 3.695 56 HA ARG 8 HA ARG 8 50.558 17.014 1.244 57 HB2 ARG 8 HB2 ARG 8 48.533 15.866 2.396 58 HB3 ARG 8 HB1 ARG 8 47.654 17.345 2.021 59 HG2 ARG 8 HG2 ARG 8 48.244 17.063 -0.378 60 HG3 ARG 8 HG1 ARG 8 49.075 15.559 0.018 61 HD2 ARG 8 HD2 ARG 8 46.971 14.612 0.875 62 HD3 ARG 8 HD1 ARG 8 46.134 16.119 0.500 63 HE ARG 8 HE ARG 8 47.413 15.152 -1.868 64 HH11 ARG 8 HH11 ARG 8 44.508 15.352 -0.156 65 HH12 ARG 8 HH12 ARG 8 43.664 14.187 -1.121 66 HH21 ARG 8 HH21 ARG 8 46.476 13.258 -2.927 67 HH22 ARG 8 HH22 ARG 8 44.779 13.003 -2.691 68 H ALA 9 HN ALA 9 51.246 19.553 2.239 69 HA ALA 9 HA ALA 9 49.478 21.621 1.512 70 HB1 ALA 9 HB1 ALA 9 51.552 21.863 2.899 71 HB2 ALA 9 HB2 ALA 9 51.386 23.071 1.625 72 HB3 ALA 9 HB3 ALA 9 52.494 21.714 1.416 73 H ALA 10 HN ALA 10 51.197 19.396 -0.394 74 HA ALA 10 HA ALA 10 50.197 20.524 -2.830 75 HB1 ALA 10 HB1 ALA 10 52.457 20.830 -3.873 76 HB2 ALA 10 HB2 ALA 10 53.157 20.686 -2.260 77 HB3 ALA 10 HB3 ALA 10 52.064 22.019 -2.632 78 H HIS 11 HN HIS 11 49.556 18.148 -1.999 79 HA HIS 11 HA HIS 11 49.622 15.882 -2.395 80 HB2 HIS 11 HB2 HIS 11 50.953 16.852 -4.936 81 HB3 HIS 11 HB1 HIS 11 50.250 15.254 -4.696 82 HD1 HIS 11 HD1 HIS 11 48.988 18.801 -4.011 83 HD2 HIS 11 HD2 HIS 11 47.704 15.231 -5.736 84 HE1 HIS 11 HE1 HIS 11 46.632 19.213 -4.841 85 H VAL 12 HN VAL 12 51.735 16.819 -0.783 86 HA VAL 12 HA VAL 12 54.291 15.950 -1.597 87 HB VAL 12 HB VAL 12 53.176 16.027 1.224 88 HG11 VAL 12 HG11 VAL 12 55.235 14.789 1.184 89 HG12 VAL 12 HG12 VAL 12 55.634 16.411 1.751 90 HG13 VAL 12 HG13 VAL 12 55.981 15.949 0.085 91 HG21 VAL 12 HG21 VAL 12 54.716 18.142 -0.317 92 HG22 VAL 12 HG22 VAL 12 54.077 18.290 1.321 93 HG23 VAL 12 HG23 VAL 12 52.973 18.181 -0.050 94 H GLY 13 HN GLY 13 51.485 14.214 -0.629 95 HA2 GLY 13 HA1 GLY 13 52.588 11.888 0.458 96 HA3 GLY 13 HA2 GLY 13 51.055 11.976 -0.399 97 H ARG 14 HN ARG 14 52.997 13.142 -2.628 98 HA ARG 14 HA ARG 14 52.975 10.912 -4.305 99 HB2 ARG 14 HB2 ARG 14 54.607 12.171 -5.681 100 HB3 ARG 14 HB1 ARG 14 53.262 13.184 -5.154 101 HG2 ARG 14 HG2 ARG 14 54.687 13.946 -3.223 102 HG3 ARG 14 HG1 ARG 14 56.038 13.069 -3.945 103 HD2 ARG 14 HD2 ARG 14 54.529 15.418 -5.107 104 HD3 ARG 14 HD1 ARG 14 56.242 15.330 -4.699 105 HE ARG 14 HE ARG 14 55.734 13.313 -6.618 106 HH11 ARG 14 HH11 ARG 14 56.628 13.740 -8.669 107 HH12 ARG 14 HH12 ARG 14 56.571 15.356 -9.289 108 HH21 ARG 14 HH21 ARG 14 55.234 16.704 -6.387 109 HH22 ARG 14 HH22 ARG 14 55.781 17.035 -7.997 110 H HIS 15 HN HIS 15 55.417 10.489 -5.371 111 HA HIS 15 HA HIS 15 57.262 9.141 -5.161 112 HB2 HIS 15 HB2 HIS 15 58.154 11.167 -4.075 113 HB3 HIS 15 HB1 HIS 15 57.542 10.600 -2.522 114 HD1 HIS 15 HD1 HIS 15 59.047 8.209 -4.995 115 HD2 HIS 15 HD2 HIS 15 60.106 10.086 -1.428 116 HE1 HIS 15 HE1 HIS 15 61.208 7.131 -4.231 117 H VAL 16 HN VAL 16 56.608 9.282 -1.685 118 HA VAL 16 HA VAL 16 56.847 6.490 -1.342 119 HB VAL 16 HB VAL 16 55.826 6.920 0.927 120 HG11 VAL 16 HG11 VAL 16 58.009 8.855 0.094 121 HG12 VAL 16 HG12 VAL 16 58.266 7.150 0.465 122 HG13 VAL 16 HG13 VAL 16 57.713 8.253 1.725 123 HG21 VAL 16 HG21 VAL 16 54.347 8.791 0.163 124 HG22 VAL 16 HG22 VAL 16 55.783 9.790 -0.061 125 HG23 VAL 16 HG23 VAL 16 55.342 9.232 1.552 126 H GLY 17 HN GLY 17 54.118 8.556 -2.053 127 HA2 GLY 17 HA1 GLY 17 52.109 6.589 -1.444 128 HA3 GLY 17 HA2 GLY 17 51.863 8.119 -2.275 129 H ARG 18 HN ARG 18 53.523 7.883 -4.442 130 HA ARG 18 HA ARG 18 51.975 6.368 -6.236 131 HB2 ARG 18 HB2 ARG 18 53.423 8.326 -6.835 132 HB3 ARG 18 HB1 ARG 18 54.830 7.280 -6.644 133 HG2 ARG 18 HG2 ARG 18 54.041 5.800 -8.399 134 HG3 ARG 18 HG1 ARG 18 52.526 6.694 -8.523 135 HD2 ARG 18 HD2 ARG 18 53.716 8.686 -9.279 136 HD3 ARG 18 HD1 ARG 18 55.266 7.874 -9.059 137 HE ARG 18 HE ARG 18 53.474 7.535 -11.322 138 HH11 ARG 18 HH11 ARG 18 56.571 7.037 -10.372 139 HH12 ARG 18 HH12 ARG 18 56.769 5.475 -11.094 140 HH21 ARG 18 HH21 ARG 18 53.398 5.082 -11.804 141 HH22 ARG 18 HH22 ARG 18 54.972 4.368 -11.903 142 H ALA 19 HN ALA 19 54.794 5.561 -4.336 143 HA ALA 19 HA ALA 19 55.438 3.156 -5.787 144 HB1 ALA 19 HB1 ALA 19 57.029 2.755 -4.028 145 HB2 ALA 19 HB2 ALA 19 56.240 3.937 -2.983 146 HB3 ALA 19 HB3 ALA 19 57.081 4.469 -4.441 147 H ALA 20 HN ALA 20 52.658 3.591 -4.637 148 HA ALA 20 HA ALA 20 52.323 1.688 -2.528 149 HB1 ALA 20 HB1 ALA 20 50.701 3.455 -2.839 150 HB2 ALA 20 HB2 ALA 20 49.909 1.898 -3.082 151 HB3 ALA 20 HB3 ALA 20 50.348 2.892 -4.472 152 H LEU 21 HN LEU 21 53.480 1.073 -5.423 153 HA LEU 21 HA LEU 21 51.771 -1.060 -6.345 154 HB2 LEU 21 HB2 LEU 21 54.662 -0.677 -7.126 155 HB3 LEU 21 HB1 LEU 21 53.342 -1.348 -8.085 156 HG LEU 21 HG LEU 21 53.665 1.544 -7.227 157 HD11 LEU 21 HD11 LEU 21 55.106 0.804 -9.106 158 HD12 LEU 21 HD12 LEU 21 53.877 1.952 -9.638 159 HD13 LEU 21 HD13 LEU 21 53.674 0.231 -9.962 160 HD21 LEU 21 HD21 LEU 21 51.314 1.094 -7.187 161 HD22 LEU 21 HD22 LEU 21 51.408 0.085 -8.631 162 HD23 LEU 21 HD23 LEU 21 51.624 1.831 -8.759 163 H THR 22 HN THR 22 53.288 -0.956 -3.578 164 HA THR 22 HA THR 22 54.987 -3.248 -3.583 165 HB THR 22 HB THR 22 54.711 -3.164 -1.092 166 HG1 THR 22 HG1 THR 22 52.745 -1.348 -1.896 167 HG21 THR 22 HG21 THR 22 55.182 -0.419 -2.270 168 HG22 THR 22 HG22 THR 22 56.354 -1.731 -2.390 169 HG23 THR 22 HG23 THR 22 55.897 -1.098 -0.809 170 H HIS 23 HN HIS 23 54.213 -4.875 -1.584 171 HA HIS 23 HA HIS 23 52.368 -6.618 -2.823 172 HB2 HIS 23 HB2 HIS 23 53.387 -6.534 0.026 173 HB3 HIS 23 HB1 HIS 23 52.466 -7.869 -0.667 174 HD1 HIS 23 HD1 HIS 23 54.997 -6.038 -2.741 175 HD2 HIS 23 HD2 HIS 23 54.689 -9.644 -0.673 176 HE1 HIS 23 HE1 HIS 23 57.006 -7.425 -3.415 177 H TYR 24 HN TYR 24 50.300 -7.340 -1.999 178 HA TYR 24 HA TYR 24 48.434 -5.307 -1.628 179 HB2 TYR 24 HB2 TYR 24 48.124 -8.156 -0.662 180 HB3 TYR 24 HB1 TYR 24 46.841 -7.041 -1.130 181 HD1 TYR 24 HD1 TYR 24 46.413 -6.500 -3.482 182 HD2 TYR 24 HD2 TYR 24 49.585 -9.198 -2.347 183 HE1 TYR 24 HE1 TYR 24 46.621 -7.251 -5.849 184 HE2 TYR 24 HE2 TYR 24 49.794 -9.948 -4.713 185 HH TYR 24 HH TYR 24 49.058 -9.686 -6.806 186 H LEU 25 HN LEU 25 50.409 -6.999 0.692 187 HA LEU 25 HA LEU 25 48.922 -6.270 3.022 188 HB2 LEU 25 HB2 LEU 25 51.884 -6.867 2.957 189 HB3 LEU 25 HB1 LEU 25 50.735 -7.164 4.262 190 HG LEU 25 HG LEU 25 50.792 -8.565 1.570 191 HD11 LEU 25 HD11 LEU 25 52.565 -9.283 3.122 192 HD12 LEU 25 HD12 LEU 25 51.352 -10.549 2.936 193 HD13 LEU 25 HD13 LEU 25 51.363 -9.544 4.385 194 HD21 LEU 25 HD21 LEU 25 49.026 -10.025 2.752 195 HD22 LEU 25 HD22 LEU 25 48.495 -8.435 2.212 196 HD23 LEU 25 HD23 LEU 25 48.874 -8.706 3.913 Start of MODEL 31 1 H1 GLY 1 HT1 GLY 1 49.702 19.540 10.054 2 H2 GLY 1 HT2 GLY 1 49.472 19.883 11.702 3 H3 GLY 1 HT3 GLY 1 48.417 20.533 10.539 4 HA2 GLY 1 HA1 GLY 1 47.514 18.655 11.793 5 HA3 GLY 1 HA2 GLY 1 47.509 18.471 10.045 6 H TRP 2 HN TRP 2 50.055 17.756 9.465 7 HA TRP 2 HA TRP 2 51.103 15.732 11.190 8 HB2 TRP 2 HB2 TRP 2 50.570 13.796 9.724 9 HB3 TRP 2 HB1 TRP 2 49.134 14.494 10.473 10 HD1 TRP 2 HD1 TRP 2 47.408 15.737 8.937 11 HE1 TRP 2 HE1 TRP 2 47.090 15.845 6.380 12 HE3 TRP 2 HE3 TRP 2 51.892 13.792 7.418 13 HZ2 TRP 2 HZ2 TRP 2 48.547 15.193 3.991 14 HZ3 TRP 2 HZ3 TRP 2 52.407 13.544 4.994 15 HH2 TRP 2 HH2 TRP 2 50.739 14.242 3.280 16 H GLY 3 HN GLY 3 50.893 17.288 8.077 17 HA2 GLY 3 HA1 GLY 3 53.710 17.406 7.780 18 HA3 GLY 3 HA2 GLY 3 53.044 16.160 6.732 19 H SER 4 HN SER 4 52.138 19.480 7.687 20 HA SER 4 HA SER 4 51.368 21.249 6.432 21 HB2 SER 4 HB2 SER 4 53.231 20.175 4.310 22 HB3 SER 4 HB1 SER 4 52.718 21.843 4.546 23 HG SER 4 HG SER 4 53.741 21.652 6.668 24 H PHE 5 HN PHE 5 51.295 21.283 3.486 25 HA PHE 5 HA PHE 5 49.426 19.192 2.707 26 HB2 PHE 5 HB2 PHE 5 48.479 22.066 2.727 27 HB3 PHE 5 HB1 PHE 5 47.550 20.632 2.289 28 HD1 PHE 5 HD1 PHE 5 48.932 22.626 5.059 29 HD2 PHE 5 HD2 PHE 5 46.814 19.013 4.011 30 HE1 PHE 5 HE1 PHE 5 48.256 22.332 7.438 31 HE2 PHE 5 HE2 PHE 5 46.138 18.720 6.392 32 HZ PHE 5 HZ PHE 5 46.794 20.422 8.090 33 H PHE 6 HN PHE 6 48.453 19.930 0.447 34 HA PHE 6 HA PHE 6 50.125 21.615 -1.163 35 HB2 PHE 6 HB2 PHE 6 51.557 19.563 -0.867 36 HB3 PHE 6 HB1 PHE 6 50.304 18.642 -1.697 37 HD1 PHE 6 HD1 PHE 6 49.975 18.823 -4.093 38 HD2 PHE 6 HD2 PHE 6 52.782 21.390 -2.053 39 HE1 PHE 6 HE1 PHE 6 50.901 19.555 -6.287 40 HE2 PHE 6 HE2 PHE 6 53.707 22.123 -4.247 41 HZ PHE 6 HZ PHE 6 52.798 21.170 -6.363 42 H ARG 7 HN ARG 7 47.308 20.144 -0.461 43 HA ARG 7 HA ARG 7 46.005 21.061 -2.833 44 HB2 ARG 7 HB2 ARG 7 46.972 18.937 -3.687 45 HB3 ARG 7 HB1 ARG 7 46.104 18.063 -2.424 46 HG2 ARG 7 HG2 ARG 7 43.966 18.782 -3.308 47 HG3 ARG 7 HG1 ARG 7 44.758 19.841 -4.475 48 HD2 ARG 7 HD2 ARG 7 45.734 17.938 -5.623 49 HD3 ARG 7 HD1 ARG 7 45.121 16.833 -4.392 50 HE ARG 7 HE ARG 7 43.112 16.813 -5.604 51 HH11 ARG 7 HH11 ARG 7 44.802 18.557 -7.650 52 HH12 ARG 7 HH12 ARG 7 43.620 19.771 -8.006 53 HH21 ARG 7 HH21 ARG 7 41.558 18.918 -5.353 54 HH22 ARG 7 HH22 ARG 7 41.783 19.975 -6.707 55 H ARG 8 HN ARG 8 45.602 18.525 -0.348 56 HA ARG 8 HA ARG 8 43.614 19.991 1.079 57 HB2 ARG 8 HB2 ARG 8 41.684 18.546 0.585 58 HB3 ARG 8 HB1 ARG 8 42.239 19.380 -0.867 59 HG2 ARG 8 HG2 ARG 8 43.590 17.328 -1.435 60 HG3 ARG 8 HG1 ARG 8 42.804 16.507 -0.085 61 HD2 ARG 8 HD2 ARG 8 41.472 17.662 -2.547 62 HD3 ARG 8 HD1 ARG 8 41.560 15.964 -2.079 63 HE ARG 8 HE ARG 8 40.286 17.206 0.059 64 HH11 ARG 8 HH11 ARG 8 39.493 18.841 -2.539 65 HH12 ARG 8 HH12 ARG 8 37.926 18.159 -2.820 66 HH21 ARG 8 HH21 ARG 8 38.401 15.503 -0.641 67 HH22 ARG 8 HH22 ARG 8 37.308 16.268 -1.745 68 H ALA 9 HN ALA 9 45.217 16.968 0.337 69 HA ALA 9 HA ALA 9 45.716 16.396 3.076 70 HB1 ALA 9 HB1 ALA 9 43.558 14.796 1.701 71 HB2 ALA 9 HB2 ALA 9 43.416 15.733 3.190 72 HB3 ALA 9 HB3 ALA 9 44.393 14.264 3.161 73 H ALA 10 HN ALA 10 44.940 13.724 1.010 74 HA ALA 10 HA ALA 10 47.454 12.548 1.113 75 HB1 ALA 10 HB1 ALA 10 46.696 11.193 -0.818 76 HB2 ALA 10 HB2 ALA 10 45.321 12.281 -1.009 77 HB3 ALA 10 HB3 ALA 10 45.479 11.305 0.452 78 H HIS 11 HN HIS 11 49.097 12.286 -0.500 79 HA HIS 11 HA HIS 11 49.930 14.732 -1.680 80 HB2 HIS 11 HB2 HIS 11 50.919 11.900 -2.093 81 HB3 HIS 11 HB1 HIS 11 51.735 13.347 -2.687 82 HD1 HIS 11 HD1 HIS 11 53.603 13.964 -1.171 83 HD2 HIS 11 HD2 HIS 11 50.393 12.365 0.951 84 HE1 HIS 11 HE1 HIS 11 54.248 14.052 1.276 85 H VAL 12 HN VAL 12 48.231 15.381 -3.067 86 HA VAL 12 HA VAL 12 47.139 15.581 -5.074 87 HB VAL 12 HB VAL 12 49.376 13.835 -6.149 88 HG11 VAL 12 HG11 VAL 12 47.459 15.802 -7.430 89 HG12 VAL 12 HG12 VAL 12 47.550 14.066 -7.727 90 HG13 VAL 12 HG13 VAL 12 48.864 15.120 -8.249 91 HG21 VAL 12 HG21 VAL 12 49.181 16.834 -5.738 92 HG22 VAL 12 HG22 VAL 12 50.421 16.052 -6.718 93 HG23 VAL 12 HG23 VAL 12 50.339 15.737 -4.985 94 H GLY 13 HN GLY 13 48.475 12.338 -5.643 95 HA2 GLY 13 HA1 GLY 13 45.979 11.013 -5.068 96 HA3 GLY 13 HA2 GLY 13 46.320 11.152 -6.788 97 H ARG 14 HN ARG 14 48.466 10.560 -4.016 98 HA ARG 14 HA ARG 14 48.886 7.792 -4.736 99 HB2 ARG 14 HB2 ARG 14 51.322 8.075 -5.186 100 HB3 ARG 14 HB1 ARG 14 50.306 8.813 -6.423 101 HG2 ARG 14 HG2 ARG 14 50.566 11.011 -5.311 102 HG3 ARG 14 HG1 ARG 14 51.620 10.266 -4.108 103 HD2 ARG 14 HD2 ARG 14 52.975 11.324 -5.854 104 HD3 ARG 14 HD1 ARG 14 53.167 9.572 -5.926 105 HE ARG 14 HE ARG 14 51.050 10.276 -7.679 106 HH11 ARG 14 HH11 ARG 14 51.532 10.118 -9.892 107 HH12 ARG 14 HH12 ARG 14 53.129 10.510 -10.439 108 HH21 ARG 14 HH21 ARG 14 54.374 11.049 -7.248 109 HH22 ARG 14 HH22 ARG 14 54.738 11.039 -8.942 110 H HIS 15 HN HIS 15 51.329 7.386 -3.498 111 HA HIS 15 HA HIS 15 52.210 7.003 -1.414 112 HB2 HIS 15 HB2 HIS 15 52.618 9.476 -1.627 113 HB3 HIS 15 HB1 HIS 15 51.110 9.746 -0.754 114 HD1 HIS 15 HD1 HIS 15 53.368 10.825 0.753 115 HD2 HIS 15 HD2 HIS 15 52.521 6.749 0.931 116 HE1 HIS 15 HE1 HIS 15 54.414 9.969 2.895 117 H VAL 16 HN VAL 16 50.562 8.740 0.780 118 HA VAL 16 HA VAL 16 49.320 6.607 2.043 119 HB VAL 16 HB VAL 16 47.964 8.315 3.262 120 HG11 VAL 16 HG11 VAL 16 49.874 9.460 4.271 121 HG12 VAL 16 HG12 VAL 16 50.864 9.107 2.855 122 HG13 VAL 16 HG13 VAL 16 50.319 7.793 3.899 123 HG21 VAL 16 HG21 VAL 16 49.229 10.150 1.205 124 HG22 VAL 16 HG22 VAL 16 48.462 10.724 2.686 125 HG23 VAL 16 HG23 VAL 16 47.507 9.876 1.470 126 H GLY 17 HN GLY 17 48.158 8.641 -0.553 127 HA2 GLY 17 HA1 GLY 17 45.436 8.258 -0.469 128 HA3 GLY 17 HA2 GLY 17 46.361 8.395 -1.958 129 H ARG 18 HN ARG 18 47.517 6.323 -2.612 130 HA ARG 18 HA ARG 18 45.550 4.201 -2.717 131 HB2 ARG 18 HB2 ARG 18 48.362 4.311 -3.835 132 HB3 ARG 18 HB1 ARG 18 47.126 3.121 -4.242 133 HG2 ARG 18 HG2 ARG 18 45.661 5.014 -5.021 134 HG3 ARG 18 HG1 ARG 18 47.030 6.101 -4.780 135 HD2 ARG 18 HD2 ARG 18 48.363 4.855 -6.392 136 HD3 ARG 18 HD1 ARG 18 47.084 3.654 -6.569 137 HE ARG 18 HE ARG 18 47.205 6.123 -7.989 138 HH11 ARG 18 HH11 ARG 18 45.017 7.244 -6.727 139 HH12 ARG 18 HH12 ARG 18 43.618 6.417 -7.327 140 HH21 ARG 18 HH21 ARG 18 45.411 3.709 -8.540 141 HH22 ARG 18 HH22 ARG 18 43.840 4.416 -8.353 142 H ALA 19 HN ALA 19 48.989 4.319 -1.747 143 HA ALA 19 HA ALA 19 50.199 3.000 -0.302 144 HB1 ALA 19 HB1 ALA 19 49.237 2.678 1.863 145 HB2 ALA 19 HB2 ALA 19 47.599 2.797 1.217 146 HB3 ALA 19 HB3 ALA 19 48.639 4.221 1.254 147 H ALA 20 HN ALA 20 48.441 1.753 -2.467 148 HA ALA 20 HA ALA 20 47.643 -0.812 -1.473 149 HB1 ALA 20 HB1 ALA 20 46.590 0.115 -3.448 150 HB2 ALA 20 HB2 ALA 20 47.421 -1.380 -3.879 151 HB3 ALA 20 HB3 ALA 20 48.142 0.179 -4.282 152 H LEU 21 HN LEU 21 49.911 -0.397 -4.150 153 HA LEU 21 HA LEU 21 51.415 -2.714 -3.350 154 HB2 LEU 21 HB2 LEU 21 51.699 -0.669 -5.555 155 HB3 LEU 21 HB1 LEU 21 52.925 -1.909 -5.293 156 HG LEU 21 HG LEU 21 51.298 -3.675 -5.635 157 HD11 LEU 21 HD11 LEU 21 49.315 -1.389 -5.666 158 HD12 LEU 21 HD12 LEU 21 49.297 -2.841 -4.664 159 HD13 LEU 21 HD13 LEU 21 48.933 -2.956 -6.384 160 HD21 LEU 21 HD21 LEU 21 52.337 -2.624 -7.636 161 HD22 LEU 21 HD22 LEU 21 50.965 -1.523 -7.750 162 HD23 LEU 21 HD23 LEU 21 50.727 -3.255 -7.985 163 H THR 22 HN THR 22 51.306 -0.054 -1.733 164 HA THR 22 HA THR 22 52.733 1.189 -0.423 165 HB THR 22 HB THR 22 54.448 -0.012 0.677 166 HG1 THR 22 HG1 THR 22 55.611 -1.595 -0.292 167 HG21 THR 22 HG21 THR 22 52.659 -2.205 -0.396 168 HG22 THR 22 HG22 THR 22 52.142 -1.047 0.829 169 HG23 THR 22 HG23 THR 22 53.472 -2.155 1.168 170 H HIS 23 HN HIS 23 55.522 1.358 -0.357 171 HA HIS 23 HA HIS 23 56.620 1.764 -2.973 172 HB2 HIS 23 HB2 HIS 23 56.814 4.241 -2.800 173 HB3 HIS 23 HB1 HIS 23 55.146 3.694 -2.980 174 HD1 HIS 23 HD1 HIS 23 54.116 3.096 -0.337 175 HD2 HIS 23 HD2 HIS 23 56.894 6.164 -0.834 176 HE1 HIS 23 HE1 HIS 23 53.893 4.600 1.688 177 H TYR 24 HN TYR 24 57.159 0.681 -0.187 178 HA TYR 24 HA TYR 24 58.931 0.497 1.269 179 HB2 TYR 24 HB2 TYR 24 60.518 1.677 -1.020 180 HB3 TYR 24 HB1 TYR 24 61.126 0.657 0.284 181 HD1 TYR 24 HD1 TYR 24 59.175 0.742 -2.849 182 HD2 TYR 24 HD2 TYR 24 60.634 -1.750 0.359 183 HE1 TYR 24 HE1 TYR 24 58.622 -1.293 -4.178 184 HE2 TYR 24 HE2 TYR 24 60.080 -3.784 -0.970 185 HH TYR 24 HH TYR 24 58.181 -4.183 -2.949 186 H LEU 25 HN LEU 25 60.981 1.839 2.084 187 HA LEU 25 HA LEU 25 60.740 4.692 1.990 188 HB2 LEU 25 HB2 LEU 25 60.268 4.743 4.592 189 HB3 LEU 25 HB1 LEU 25 58.925 4.621 3.459 190 HG LEU 25 HG LEU 25 58.823 2.207 3.758 191 HD11 LEU 25 HD11 LEU 25 60.315 1.209 5.605 192 HD12 LEU 25 HD12 LEU 25 61.308 2.654 5.427 193 HD13 LEU 25 HD13 LEU 25 61.093 1.557 4.062 194 HD21 LEU 25 HD21 LEU 25 58.190 2.147 6.150 195 HD22 LEU 25 HD22 LEU 25 57.610 3.620 5.372 196 HD23 LEU 25 HD23 LEU 25 59.037 3.672 6.407 Start of MODEL 32 1 H1 GLY 1 HT1 GLY 1 41.810 13.181 -0.361 2 H2 GLY 1 HT2 GLY 1 41.825 13.398 -2.046 3 H3 GLY 1 HT3 GLY 1 40.828 14.367 -1.070 4 HA2 GLY 1 HA1 GLY 1 42.530 15.594 -0.268 5 HA3 GLY 1 HA2 GLY 1 43.705 14.342 -0.645 6 H TRP 2 HN TRP 2 41.614 16.815 -2.035 7 HA TRP 2 HA TRP 2 43.592 17.382 -4.092 8 HB2 TRP 2 HB2 TRP 2 40.783 16.620 -4.923 9 HB3 TRP 2 HB1 TRP 2 42.131 17.045 -5.977 10 HD1 TRP 2 HD1 TRP 2 40.678 14.203 -3.962 11 HE1 TRP 2 HE1 TRP 2 42.032 12.054 -4.402 12 HE3 TRP 2 HE3 TRP 2 44.604 16.170 -6.594 13 HZ2 TRP 2 HZ2 TRP 2 44.468 11.260 -5.704 14 HZ3 TRP 2 HZ3 TRP 2 46.431 14.697 -7.426 15 HH2 TRP 2 HH2 TRP 2 46.368 12.246 -6.983 16 H GLY 3 HN GLY 3 40.089 17.970 -3.795 17 HA2 GLY 3 HA1 GLY 3 40.398 20.766 -4.314 18 HA3 GLY 3 HA2 GLY 3 38.910 19.945 -3.863 19 H SER 4 HN SER 4 41.586 19.414 -1.795 20 HA SER 4 HA SER 4 41.284 21.671 -0.084 21 HB2 SER 4 HB2 SER 4 39.128 20.700 0.446 22 HB3 SER 4 HB1 SER 4 39.862 19.124 0.722 23 HG SER 4 HG SER 4 40.072 21.500 2.232 24 H PHE 5 HN PHE 5 42.646 18.722 -1.007 25 HA PHE 5 HA PHE 5 44.478 17.518 -0.306 26 HB2 PHE 5 HB2 PHE 5 45.374 20.135 0.913 27 HB3 PHE 5 HB1 PHE 5 46.385 18.821 0.310 28 HD1 PHE 5 HD1 PHE 5 46.510 18.336 -2.140 29 HD2 PHE 5 HD2 PHE 5 44.385 21.759 -0.590 30 HE1 PHE 5 HE1 PHE 5 46.496 19.357 -4.413 31 HE2 PHE 5 HE2 PHE 5 44.369 22.778 -2.863 32 HZ PHE 5 HZ PHE 5 45.452 21.591 -4.768 33 H PHE 6 HN PHE 6 46.125 17.979 1.999 34 HA PHE 6 HA PHE 6 44.558 18.039 4.379 35 HB2 PHE 6 HB2 PHE 6 43.867 15.821 3.391 36 HB3 PHE 6 HB1 PHE 6 45.540 15.292 3.571 37 HD1 PHE 6 HD1 PHE 6 42.501 16.412 5.398 38 HD2 PHE 6 HD2 PHE 6 46.472 14.754 5.745 39 HE1 PHE 6 HE1 PHE 6 42.065 15.871 7.790 40 HE2 PHE 6 HE2 PHE 6 46.034 14.213 8.138 41 HZ PHE 6 HZ PHE 6 43.867 14.861 9.183 42 H ARG 7 HN ARG 7 45.962 18.982 5.677 43 HA ARG 7 HA ARG 7 47.810 19.300 6.990 44 HB2 ARG 7 HB2 ARG 7 47.892 16.690 6.859 45 HB3 ARG 7 HB1 ARG 7 49.216 16.947 5.726 46 HG2 ARG 7 HG2 ARG 7 50.403 18.306 7.412 47 HG3 ARG 7 HG1 ARG 7 49.083 18.042 8.551 48 HD2 ARG 7 HD2 ARG 7 49.480 15.590 8.400 49 HD3 ARG 7 HD1 ARG 7 50.851 15.899 7.335 50 HE ARG 7 HE ARG 7 50.876 16.149 10.206 51 HH11 ARG 7 HH11 ARG 7 51.419 18.912 9.883 52 HH12 ARG 7 HH12 ARG 7 53.094 19.000 9.449 53 HH21 ARG 7 HH21 ARG 7 53.300 15.666 8.520 54 HH22 ARG 7 HH22 ARG 7 54.159 17.162 8.676 55 H ARG 8 HN ARG 8 48.635 18.255 3.679 56 HA ARG 8 HA ARG 8 49.925 20.791 3.150 57 HB2 ARG 8 HB2 ARG 8 51.714 19.548 4.338 58 HB3 ARG 8 HB1 ARG 8 51.599 18.267 3.131 59 HG2 ARG 8 HG2 ARG 8 52.266 19.773 1.365 60 HG3 ARG 8 HG1 ARG 8 52.175 21.162 2.449 61 HD2 ARG 8 HD2 ARG 8 53.969 20.102 3.851 62 HD3 ARG 8 HD1 ARG 8 54.126 18.849 2.621 63 HE ARG 8 HE ARG 8 55.252 21.485 2.453 64 HH11 ARG 8 HH11 ARG 8 56.539 19.510 0.858 65 HH12 ARG 8 HH12 ARG 8 55.951 19.777 -0.749 66 HH21 ARG 8 HH21 ARG 8 53.220 21.650 0.277 67 HH22 ARG 8 HH22 ARG 8 54.072 20.988 -1.078 68 H ALA 9 HN ALA 9 50.565 17.577 1.779 69 HA ALA 9 HA ALA 9 48.758 17.943 -0.433 70 HB1 ALA 9 HB1 ALA 9 50.471 18.094 -2.176 71 HB2 ALA 9 HB2 ALA 9 51.728 18.181 -0.941 72 HB3 ALA 9 HB3 ALA 9 50.549 19.485 -1.094 73 H ALA 10 HN ALA 10 51.538 16.261 0.952 74 HA ALA 10 HA ALA 10 50.337 13.705 0.561 75 HB1 ALA 10 HB1 ALA 10 52.726 14.322 -1.182 76 HB2 ALA 10 HB2 ALA 10 51.066 14.178 -1.762 77 HB3 ALA 10 HB3 ALA 10 51.881 12.779 -1.061 78 H HIS 11 HN HIS 11 52.148 15.684 2.257 79 HA HIS 11 HA HIS 11 54.512 14.345 2.932 80 HB2 HIS 11 HB2 HIS 11 53.897 16.661 3.649 81 HB3 HIS 11 HB1 HIS 11 52.766 15.957 4.806 82 HD1 HIS 11 HD1 HIS 11 55.462 13.661 4.673 83 HD2 HIS 11 HD2 HIS 11 55.014 17.412 6.431 84 HE1 HIS 11 HE1 HIS 11 57.217 13.814 6.493 85 H VAL 12 HN VAL 12 51.231 14.021 4.253 86 HA VAL 12 HA VAL 12 51.766 12.265 6.350 87 HB VAL 12 HB VAL 12 49.410 11.456 6.034 88 HG11 VAL 12 HG11 VAL 12 48.389 13.589 6.564 89 HG12 VAL 12 HG12 VAL 12 49.708 14.463 5.784 90 HG13 VAL 12 HG13 VAL 12 50.003 13.563 7.273 91 HG21 VAL 12 HG21 VAL 12 49.551 13.296 3.622 92 HG22 VAL 12 HG22 VAL 12 48.074 12.569 4.253 93 HG23 VAL 12 HG23 VAL 12 49.342 11.546 3.579 94 H GLY 13 HN GLY 13 51.715 11.706 2.918 95 HA2 GLY 13 HA1 GLY 13 51.273 8.973 2.773 96 HA3 GLY 13 HA2 GLY 13 52.297 9.877 1.666 97 H ARG 14 HN ARG 14 54.322 10.691 3.370 98 HA ARG 14 HA ARG 14 56.100 8.575 3.333 99 HB2 ARG 14 HB2 ARG 14 56.705 10.974 3.646 100 HB3 ARG 14 HB1 ARG 14 56.132 10.866 5.310 101 HG2 ARG 14 HG2 ARG 14 57.782 9.138 5.808 102 HG3 ARG 14 HG1 ARG 14 58.308 9.119 4.125 103 HD2 ARG 14 HD2 ARG 14 59.108 11.405 4.292 104 HD3 ARG 14 HD1 ARG 14 58.443 11.559 5.918 105 HE ARG 14 HE ARG 14 60.243 9.354 5.904 106 HH11 ARG 14 HH11 ARG 14 60.437 11.448 7.958 107 HH12 ARG 14 HH12 ARG 14 61.908 12.268 7.548 108 HH21 ARG 14 HH21 ARG 14 62.038 10.984 4.330 109 HH22 ARG 14 HH22 ARG 14 62.813 12.005 5.493 110 H HIS 15 HN HIS 15 55.077 6.697 4.137 111 HA HIS 15 HA HIS 15 54.208 6.580 6.912 112 HB2 HIS 15 HB2 HIS 15 54.460 4.489 4.738 113 HB3 HIS 15 HB1 HIS 15 53.892 4.137 6.371 114 HD1 HIS 15 HD1 HIS 15 52.069 6.457 6.970 115 HD2 HIS 15 HD2 HIS 15 52.098 4.523 3.281 116 HE1 HIS 15 HE1 HIS 15 49.845 6.972 5.873 117 H VAL 16 HN VAL 16 56.255 4.190 5.314 118 HA VAL 16 HA VAL 16 57.824 3.803 7.680 119 HB VAL 16 HB VAL 16 59.147 2.238 6.277 120 HG11 VAL 16 HG11 VAL 16 57.222 0.734 5.669 121 HG12 VAL 16 HG12 VAL 16 56.130 2.074 6.020 122 HG13 VAL 16 HG13 VAL 16 57.123 1.387 7.305 123 HG21 VAL 16 HG21 VAL 16 57.368 3.341 4.079 124 HG22 VAL 16 HG22 VAL 16 58.342 1.879 3.915 125 HG23 VAL 16 HG23 VAL 16 59.127 3.438 4.165 126 H GLY 17 HN GLY 17 58.250 5.531 4.646 127 HA2 GLY 17 HA1 GLY 17 60.070 7.385 5.589 128 HA3 GLY 17 HA2 GLY 17 61.028 6.056 4.952 129 H ARG 18 HN ARG 18 58.221 6.048 3.253 130 HA ARG 18 HA ARG 18 58.518 8.209 1.451 131 HB2 ARG 18 HB2 ARG 18 59.371 6.860 -0.506 132 HB3 ARG 18 HB1 ARG 18 60.575 7.193 0.738 133 HG2 ARG 18 HG2 ARG 18 60.271 4.975 1.695 134 HG3 ARG 18 HG1 ARG 18 58.960 4.635 0.565 135 HD2 ARG 18 HD2 ARG 18 61.034 3.601 -0.233 136 HD3 ARG 18 HD1 ARG 18 60.549 4.896 -1.326 137 HE ARG 18 HE ARG 18 62.281 6.077 0.542 138 HH11 ARG 18 HH11 ARG 18 62.607 3.108 -1.075 139 HH12 ARG 18 HH12 ARG 18 64.159 3.469 -1.754 140 HH21 ARG 18 HH21 ARG 18 64.176 6.753 -0.647 141 HH22 ARG 18 HH22 ARG 18 65.047 5.532 -1.513 142 H ALA 19 HN ALA 19 56.503 6.610 2.859 143 HA ALA 19 HA ALA 19 54.396 5.775 2.510 144 HB1 ALA 19 HB1 ALA 19 53.200 6.582 0.622 145 HB2 ALA 19 HB2 ALA 19 54.680 6.799 -0.312 146 HB3 ALA 19 HB3 ALA 19 54.341 7.851 1.063 147 H ALA 20 HN ALA 20 53.397 4.834 -0.102 148 HA ALA 20 HA ALA 20 55.102 2.747 -1.048 149 HB1 ALA 20 HB1 ALA 20 54.483 1.870 1.208 150 HB2 ALA 20 HB2 ALA 20 53.962 0.839 -0.124 151 HB3 ALA 20 HB3 ALA 20 52.797 1.877 0.697 152 H LEU 21 HN LEU 21 54.542 2.808 -3.124 153 HA LEU 21 HA LEU 21 51.895 3.556 -3.997 154 HB2 LEU 21 HB2 LEU 21 54.068 2.373 -5.730 155 HB3 LEU 21 HB1 LEU 21 52.779 3.483 -6.196 156 HG LEU 21 HG LEU 21 55.122 4.117 -4.375 157 HD11 LEU 21 HD11 LEU 21 55.567 3.945 -6.852 158 HD12 LEU 21 HD12 LEU 21 55.873 5.544 -6.173 159 HD13 LEU 21 HD13 LEU 21 54.399 5.244 -7.094 160 HD21 LEU 21 HD21 LEU 21 54.153 6.494 -4.639 161 HD22 LEU 21 HD22 LEU 21 53.283 5.405 -3.563 162 HD23 LEU 21 HD23 LEU 21 52.673 5.707 -5.190 163 H THR 22 HN THR 22 51.283 1.526 -2.483 164 HA THR 22 HA THR 22 51.487 -1.086 -3.424 165 HB THR 22 HB THR 22 49.310 -1.486 -2.204 166 HG1 THR 22 HG1 THR 22 48.136 0.166 -1.690 167 HG21 THR 22 HG21 THR 22 51.515 -1.549 -1.064 168 HG22 THR 22 HG22 THR 22 50.239 -0.965 0.003 169 HG23 THR 22 HG23 THR 22 51.370 0.175 -0.724 170 H HIS 23 HN HIS 23 48.227 0.133 -3.478 171 HA HIS 23 HA HIS 23 47.725 -1.087 -6.034 172 HB2 HIS 23 HB2 HIS 23 45.913 0.736 -4.438 173 HB3 HIS 23 HB1 HIS 23 45.437 -0.403 -5.698 174 HD1 HIS 23 HD1 HIS 23 46.061 -0.160 -2.092 175 HD2 HIS 23 HD2 HIS 23 45.949 -3.218 -4.922 176 HE1 HIS 23 HE1 HIS 23 45.864 -2.328 -0.796 177 H TYR 24 HN TYR 24 47.011 -0.032 -7.936 178 HA TYR 24 HA TYR 24 48.449 2.335 -8.590 179 HB2 TYR 24 HB2 TYR 24 46.137 1.116 -10.115 180 HB3 TYR 24 HB1 TYR 24 47.414 2.150 -10.757 181 HD1 TYR 24 HD1 TYR 24 46.639 -1.207 -9.367 182 HD2 TYR 24 HD2 TYR 24 49.628 1.277 -11.246 183 HE1 TYR 24 HE1 TYR 24 48.052 -3.218 -9.778 184 HE2 TYR 24 HE2 TYR 24 51.041 -0.734 -11.658 185 HH TYR 24 HH TYR 24 49.882 -3.892 -11.386 186 H LEU 25 HN LEU 25 46.107 3.367 -10.232 187 HA LEU 25 HA LEU 25 45.323 5.443 -8.450 188 HB2 LEU 25 HB2 LEU 25 43.932 4.726 -11.035 189 HB3 LEU 25 HB1 LEU 25 44.051 6.308 -10.267 190 HG LEU 25 HG LEU 25 46.367 4.734 -11.437 191 HD11 LEU 25 HD11 LEU 25 46.396 6.547 -13.120 192 HD12 LEU 25 HD12 LEU 25 44.962 7.254 -12.374 193 HD13 LEU 25 HD13 LEU 25 44.865 5.672 -13.146 194 HD21 LEU 25 HD21 LEU 25 46.185 7.388 -9.984 195 HD22 LEU 25 HD22 LEU 25 47.522 7.022 -11.075 196 HD23 LEU 25 HD23 LEU 25 47.257 6.028 -9.645 Start of MODEL 33 1 H1 GLY 1 HT1 GLY 1 44.001 17.232 6.291 2 H2 GLY 1 HT2 GLY 1 44.839 18.651 5.879 3 H3 GLY 1 HT3 GLY 1 43.558 18.101 4.905 4 HA2 GLY 1 HA1 GLY 1 43.422 19.175 7.630 5 HA3 GLY 1 HA2 GLY 1 42.779 19.895 6.160 6 H TRP 2 HN TRP 2 41.429 18.005 4.910 7 HA TRP 2 HA TRP 2 39.845 16.333 6.617 8 HB2 TRP 2 HB2 TRP 2 38.912 18.548 7.217 9 HB3 TRP 2 HB1 TRP 2 38.525 18.827 5.519 10 HD1 TRP 2 HD1 TRP 2 36.383 17.753 4.572 11 HE1 TRP 2 HE1 TRP 2 34.518 16.270 5.556 12 HE3 TRP 2 HE3 TRP 2 38.501 16.568 9.079 13 HZ2 TRP 2 HZ2 TRP 2 33.984 14.769 7.949 14 HZ3 TRP 2 HZ3 TRP 2 37.296 15.108 10.696 15 HH2 TRP 2 HH2 TRP 2 35.041 14.208 10.136 16 H GLY 3 HN GLY 3 39.788 18.197 3.579 17 HA2 GLY 3 HA1 GLY 3 39.739 15.845 1.971 18 HA3 GLY 3 HA2 GLY 3 38.144 16.579 2.065 19 H SER 4 HN SER 4 40.122 19.109 2.441 20 HA SER 4 HA SER 4 39.656 20.156 -0.154 21 HB2 SER 4 HB2 SER 4 39.945 21.550 1.888 22 HB3 SER 4 HB1 SER 4 41.649 21.104 1.920 23 HG SER 4 HG SER 4 40.358 22.294 -0.309 24 H PHE 5 HN PHE 5 42.807 19.524 1.407 25 HA PHE 5 HA PHE 5 44.265 19.592 -1.022 26 HB2 PHE 5 HB2 PHE 5 44.981 18.320 1.632 27 HB3 PHE 5 HB1 PHE 5 46.110 18.638 0.314 28 HD1 PHE 5 HD1 PHE 5 43.970 20.172 2.918 29 HD2 PHE 5 HD2 PHE 5 46.834 20.909 -0.226 30 HE1 PHE 5 HE1 PHE 5 44.263 22.508 3.733 31 HE2 PHE 5 HE2 PHE 5 47.128 23.244 0.590 32 HZ PHE 5 HZ PHE 5 45.773 24.070 2.511 33 H PHE 6 HN PHE 6 45.867 17.394 -1.096 34 HA PHE 6 HA PHE 6 44.308 14.950 -1.135 35 HB2 PHE 6 HB2 PHE 6 45.149 16.296 -3.714 36 HB3 PHE 6 HB1 PHE 6 44.680 14.600 -3.600 37 HD1 PHE 6 HD1 PHE 6 42.372 14.016 -2.661 38 HD2 PHE 6 HD2 PHE 6 43.488 18.017 -3.838 39 HE1 PHE 6 HE1 PHE 6 39.965 14.652 -2.783 40 HE2 PHE 6 HE2 PHE 6 41.082 18.652 -3.959 41 HZ PHE 6 HZ PHE 6 39.321 16.974 -3.415 42 H ARG 7 HN ARG 7 47.144 16.338 -2.815 43 HA ARG 7 HA ARG 7 49.024 14.849 -1.266 44 HB2 ARG 7 HB2 ARG 7 49.795 13.324 -3.042 45 HB3 ARG 7 HB1 ARG 7 48.124 12.982 -2.588 46 HG2 ARG 7 HG2 ARG 7 47.408 14.480 -4.512 47 HG3 ARG 7 HG1 ARG 7 49.095 14.494 -5.025 48 HD2 ARG 7 HD2 ARG 7 48.041 12.739 -6.265 49 HD3 ARG 7 HD1 ARG 7 48.990 11.945 -5.009 50 HE ARG 7 HE ARG 7 46.281 12.439 -4.119 51 HH11 ARG 7 HH11 ARG 7 45.526 11.129 -6.570 52 HH12 ARG 7 HH12 ARG 7 45.708 9.441 -6.228 53 HH21 ARG 7 HH21 ARG 7 47.713 9.949 -3.445 54 HH22 ARG 7 HH22 ARG 7 46.948 8.773 -4.460 55 H ARG 8 HN ARG 8 48.212 17.389 -3.041 56 HA ARG 8 HA ARG 8 50.352 17.885 -4.790 57 HB2 ARG 8 HB2 ARG 8 48.781 19.911 -3.182 58 HB3 ARG 8 HB1 ARG 8 49.695 20.223 -4.658 59 HG2 ARG 8 HG2 ARG 8 48.227 18.672 -5.897 60 HG3 ARG 8 HG1 ARG 8 47.309 18.366 -4.422 61 HD2 ARG 8 HD2 ARG 8 47.581 21.010 -5.875 62 HD3 ARG 8 HD1 ARG 8 46.120 20.036 -5.715 63 HE ARG 8 HE ARG 8 46.938 20.574 -3.094 64 HH11 ARG 8 HH11 ARG 8 45.373 21.990 -2.121 65 HH12 ARG 8 HH12 ARG 8 45.051 23.496 -2.913 66 HH21 ARG 8 HH21 ARG 8 46.834 22.676 -5.772 67 HH22 ARG 8 HH22 ARG 8 45.878 23.884 -4.980 68 H ALA 9 HN ALA 9 49.892 19.095 -1.456 69 HA ALA 9 HA ALA 9 52.676 18.715 -0.818 70 HB1 ALA 9 HB1 ALA 9 51.682 21.561 -0.934 71 HB2 ALA 9 HB2 ALA 9 52.662 20.823 -2.201 72 HB3 ALA 9 HB3 ALA 9 53.314 21.002 -0.572 73 H ALA 10 HN ALA 10 51.024 17.490 0.607 74 HA ALA 10 HA ALA 10 51.020 18.755 3.174 75 HB1 ALA 10 HB1 ALA 10 48.588 18.736 3.529 76 HB2 ALA 10 HB2 ALA 10 48.349 18.277 1.843 77 HB3 ALA 10 HB3 ALA 10 49.042 19.850 2.240 78 H HIS 11 HN HIS 11 51.249 16.163 1.267 79 HA HIS 11 HA HIS 11 51.217 14.304 3.442 80 HB2 HIS 11 HB2 HIS 11 48.778 14.459 2.938 81 HB3 HIS 11 HB1 HIS 11 49.118 13.907 1.297 82 HD1 HIS 11 HD1 HIS 11 51.453 12.240 3.419 83 HD2 HIS 11 HD2 HIS 11 47.446 11.626 2.456 84 HE1 HIS 11 HE1 HIS 11 50.917 9.853 4.075 85 H VAL 12 HN VAL 12 50.686 14.249 -0.092 86 HA VAL 12 HA VAL 12 51.800 13.157 -1.776 87 HB VAL 12 HB VAL 12 54.176 13.596 0.061 88 HG11 VAL 12 HG11 VAL 12 53.945 12.829 -2.860 89 HG12 VAL 12 HG12 VAL 12 54.777 11.949 -1.579 90 HG13 VAL 12 HG13 VAL 12 55.425 13.483 -2.157 91 HG21 VAL 12 HG21 VAL 12 52.903 15.650 -0.613 92 HG22 VAL 12 HG22 VAL 12 53.180 15.219 -2.301 93 HG23 VAL 12 HG23 VAL 12 54.544 15.611 -1.255 94 H GLY 13 HN GLY 13 53.977 11.921 0.708 95 HA2 GLY 13 HA1 GLY 13 52.707 9.471 1.209 96 HA3 GLY 13 HA2 GLY 13 53.789 9.259 -0.162 97 H ARG 14 HN ARG 14 54.915 11.677 1.871 98 HA ARG 14 HA ARG 14 57.268 10.327 2.579 99 HB2 ARG 14 HB2 ARG 14 56.915 12.824 2.558 100 HB3 ARG 14 HB1 ARG 14 56.042 12.649 4.081 101 HG2 ARG 14 HG2 ARG 14 58.037 11.608 5.104 102 HG3 ARG 14 HG1 ARG 14 58.912 11.801 3.584 103 HD2 ARG 14 HD2 ARG 14 59.466 13.636 5.120 104 HD3 ARG 14 HD1 ARG 14 58.587 14.254 3.721 105 HE ARG 14 HE ARG 14 56.705 13.646 5.780 106 HH11 ARG 14 HH11 ARG 14 57.182 14.946 7.851 107 HH12 ARG 14 HH12 ARG 14 57.468 16.626 7.546 108 HH21 ARG 14 HH21 ARG 14 57.975 16.194 4.143 109 HH22 ARG 14 HH22 ARG 14 57.917 17.334 5.447 110 H HIS 15 HN HIS 15 57.891 9.155 4.326 111 HA HIS 15 HA HIS 15 56.434 9.027 6.775 112 HB2 HIS 15 HB2 HIS 15 54.901 7.735 5.278 113 HB3 HIS 15 HB1 HIS 15 56.214 6.592 4.990 114 HD1 HIS 15 HD1 HIS 15 54.598 8.166 8.082 115 HD2 HIS 15 HD2 HIS 15 56.060 4.492 6.760 116 HE1 HIS 15 HE1 HIS 15 54.234 6.524 9.978 117 H VAL 16 HN VAL 16 59.031 9.552 6.417 118 HA VAL 16 HA VAL 16 61.173 8.918 6.945 119 HB VAL 16 HB VAL 16 59.998 6.636 8.556 120 HG11 VAL 16 HG11 VAL 16 62.479 7.056 8.504 121 HG12 VAL 16 HG12 VAL 16 61.775 7.219 10.112 122 HG13 VAL 16 HG13 VAL 16 62.176 8.658 9.175 123 HG21 VAL 16 HG21 VAL 16 58.487 8.476 8.981 124 HG22 VAL 16 HG22 VAL 16 59.831 9.606 9.144 125 HG23 VAL 16 HG23 VAL 16 59.583 8.350 10.357 126 H GLY 17 HN GLY 17 60.057 7.815 4.546 127 HA2 GLY 17 HA1 GLY 17 61.970 6.125 3.634 128 HA3 GLY 17 HA2 GLY 17 60.802 5.032 4.366 129 H ARG 18 HN ARG 18 59.219 7.757 3.273 130 HA ARG 18 HA ARG 18 57.693 8.062 1.581 131 HB2 ARG 18 HB2 ARG 18 59.799 6.748 -0.147 132 HB3 ARG 18 HB1 ARG 18 58.575 7.917 -0.645 133 HG2 ARG 18 HG2 ARG 18 59.609 9.606 0.860 134 HG3 ARG 18 HG1 ARG 18 60.867 8.439 1.269 135 HD2 ARG 18 HD2 ARG 18 61.605 10.001 -0.515 136 HD3 ARG 18 HD1 ARG 18 61.566 8.331 -1.078 137 HE ARG 18 HE ARG 18 59.056 9.364 -1.728 138 HH11 ARG 18 HH11 ARG 18 60.446 11.968 -2.097 139 HH12 ARG 18 HH12 ARG 18 60.979 11.878 -3.742 140 HH21 ARG 18 HH21 ARG 18 60.567 8.442 -3.966 141 HH22 ARG 18 HH22 ARG 18 61.047 9.882 -4.801 142 H ALA 19 HN ALA 19 56.422 6.330 2.698 143 HA ALA 19 HA ALA 19 56.411 3.645 1.947 144 HB1 ALA 19 HB1 ALA 19 54.108 3.599 2.758 145 HB2 ALA 19 HB2 ALA 19 54.041 5.361 2.701 146 HB3 ALA 19 HB3 ALA 19 55.124 4.556 3.837 147 H ALA 20 HN ALA 20 54.389 2.663 0.779 148 HA ALA 20 HA ALA 20 53.319 4.117 -1.443 149 HB1 ALA 20 HB1 ALA 20 54.478 3.040 -3.237 150 HB2 ALA 20 HB2 ALA 20 55.347 1.988 -2.118 151 HB3 ALA 20 HB3 ALA 20 55.698 3.716 -2.158 152 H LEU 21 HN LEU 21 52.187 2.607 0.616 153 HA LEU 21 HA LEU 21 51.529 -0.043 -0.362 154 HB2 LEU 21 HB2 LEU 21 50.093 1.425 1.853 155 HB3 LEU 21 HB1 LEU 21 50.332 -0.313 1.655 156 HG LEU 21 HG LEU 21 52.468 1.744 2.298 157 HD11 LEU 21 HD11 LEU 21 50.990 1.104 4.181 158 HD12 LEU 21 HD12 LEU 21 52.632 0.508 4.416 159 HD13 LEU 21 HD13 LEU 21 51.363 -0.594 3.884 160 HD21 LEU 21 HD21 LEU 21 53.515 0.108 0.901 161 HD22 LEU 21 HD22 LEU 21 52.628 -1.215 1.658 162 HD23 LEU 21 HD23 LEU 21 53.896 -0.376 2.552 163 H THR 22 HN THR 22 50.852 2.429 -1.956 164 HA THR 22 HA THR 22 47.979 2.651 -1.911 165 HB THR 22 HB THR 22 48.296 3.965 -4.009 166 HG1 THR 22 HG1 THR 22 50.699 2.704 -3.866 167 HG21 THR 22 HG21 THR 22 49.635 5.781 -2.960 168 HG22 THR 22 HG22 THR 22 50.147 4.648 -1.708 169 HG23 THR 22 HG23 THR 22 48.447 5.097 -1.849 170 H HIS 23 HN HIS 23 48.008 0.110 -2.032 171 HA HIS 23 HA HIS 23 48.361 -1.026 -4.660 172 HB2 HIS 23 HB2 HIS 23 48.658 -2.349 -2.582 173 HB3 HIS 23 HB1 HIS 23 46.936 -2.169 -2.246 174 HD1 HIS 23 HD1 HIS 23 49.311 -3.757 -4.723 175 HD2 HIS 23 HD2 HIS 23 45.244 -3.803 -3.812 176 HE1 HIS 23 HE1 HIS 23 48.300 -5.661 -6.053 177 H TYR 24 HN TYR 24 47.015 -0.491 -6.260 178 HA TYR 24 HA TYR 24 44.238 -1.097 -6.126 179 HB2 TYR 24 HB2 TYR 24 44.277 1.073 -4.866 180 HB3 TYR 24 HB1 TYR 24 44.894 1.851 -6.324 181 HD1 TYR 24 HD1 TYR 24 43.485 2.145 -8.306 182 HD2 TYR 24 HD2 TYR 24 41.983 0.178 -4.771 183 HE1 TYR 24 HE1 TYR 24 41.163 2.334 -9.188 184 HE2 TYR 24 HE2 TYR 24 39.660 0.367 -5.652 185 HH TYR 24 HH TYR 24 38.855 0.610 -8.535 186 H LEU 25 HN LEU 25 47.060 -0.008 -7.706 187 HA LEU 25 HA LEU 25 47.654 0.219 -9.911 188 HB2 LEU 25 HB2 LEU 25 47.234 -2.147 -9.972 189 HB3 LEU 25 HB1 LEU 25 45.495 -1.896 -10.072 190 HG LEU 25 HG LEU 25 45.672 -1.003 -12.308 191 HD11 LEU 25 HD11 LEU 25 47.638 0.334 -12.262 192 HD12 LEU 25 HD12 LEU 25 48.018 -0.962 -13.392 193 HD13 LEU 25 HD13 LEU 25 48.645 -1.018 -11.744 194 HD21 LEU 25 HD21 LEU 25 46.549 -2.933 -13.493 195 HD22 LEU 25 HD22 LEU 25 45.782 -3.493 -12.007 196 HD23 LEU 25 HD23 LEU 25 47.540 -3.384 -12.104 Start of MODEL 34 1 H1 GLY 1 HT1 GLY 1 40.985 10.711 7.989 2 H2 GLY 1 HT2 GLY 1 40.554 10.129 6.450 3 H3 GLY 1 HT3 GLY 1 39.388 10.865 7.443 4 HA2 GLY 1 HA1 GLY 1 40.162 12.936 7.100 5 HA3 GLY 1 HA2 GLY 1 41.769 12.350 6.691 6 H TRP 2 HN TRP 2 40.285 14.229 5.172 7 HA TRP 2 HA TRP 2 40.436 12.966 2.583 8 HB2 TRP 2 HB2 TRP 2 38.074 13.615 1.962 9 HB3 TRP 2 HB1 TRP 2 38.198 12.257 3.079 10 HD1 TRP 2 HD1 TRP 2 37.549 16.057 3.111 11 HE1 TRP 2 HE1 TRP 2 36.095 16.616 5.165 12 HE3 TRP 2 HE3 TRP 2 37.348 11.443 5.319 13 HZ2 TRP 2 HZ2 TRP 2 34.984 15.284 7.457 14 HZ3 TRP 2 HZ3 TRP 2 36.084 11.111 7.439 15 HH2 TRP 2 HH2 TRP 2 34.903 13.026 8.508 16 H GLY 3 HN GLY 3 40.839 15.508 4.575 17 HA2 GLY 3 HA1 GLY 3 41.548 17.295 2.474 18 HA3 GLY 3 HA2 GLY 3 40.054 17.800 3.251 19 H SER 4 HN SER 4 42.161 16.107 5.309 20 HA SER 4 HA SER 4 42.581 18.421 6.960 21 HB2 SER 4 HB2 SER 4 42.273 16.153 7.900 22 HB3 SER 4 HB1 SER 4 43.789 15.651 7.158 23 HG SER 4 HG SER 4 43.989 16.331 9.371 24 H PHE 5 HN PHE 5 44.345 16.836 4.441 25 HA PHE 5 HA PHE 5 46.951 17.777 5.152 26 HB2 PHE 5 HB2 PHE 5 47.471 17.208 2.739 27 HB3 PHE 5 HB1 PHE 5 46.810 15.883 3.697 28 HD1 PHE 5 HD1 PHE 5 46.078 18.381 1.059 29 HD2 PHE 5 HD2 PHE 5 44.567 15.014 3.297 30 HE1 PHE 5 HE1 PHE 5 44.187 18.160 -0.549 31 HE2 PHE 5 HE2 PHE 5 42.675 14.795 1.690 32 HZ PHE 5 HZ PHE 5 42.510 16.342 -0.256 33 H PHE 6 HN PHE 6 48.093 19.061 3.191 34 HA PHE 6 HA PHE 6 46.516 21.262 2.156 35 HB2 PHE 6 HB2 PHE 6 48.579 21.725 4.326 36 HB3 PHE 6 HB1 PHE 6 47.904 22.996 3.306 37 HD1 PHE 6 HD1 PHE 6 45.359 23.329 3.279 38 HD2 PHE 6 HD2 PHE 6 47.396 20.953 6.254 39 HE1 PHE 6 HE1 PHE 6 43.373 23.497 4.776 40 HE2 PHE 6 HE2 PHE 6 45.411 21.123 7.748 41 HZ PHE 6 HZ PHE 6 43.407 22.412 7.019 42 H ARG 7 HN ARG 7 47.505 19.950 0.345 43 HA ARG 7 HA ARG 7 49.049 19.711 -1.343 44 HB2 ARG 7 HB2 ARG 7 50.125 22.392 -0.453 45 HB3 ARG 7 HB1 ARG 7 50.098 21.711 -2.080 46 HG2 ARG 7 HG2 ARG 7 47.581 21.745 -1.971 47 HG3 ARG 7 HG1 ARG 7 47.716 22.620 -0.443 48 HD2 ARG 7 HD2 ARG 7 48.555 23.522 -3.199 49 HD3 ARG 7 HD1 ARG 7 47.488 24.339 -2.056 50 HE ARG 7 HE ARG 7 49.899 24.234 -0.710 51 HH11 ARG 7 HH11 ARG 7 49.802 26.819 -0.846 52 HH12 ARG 7 HH12 ARG 7 50.591 27.384 -2.281 53 HH21 ARG 7 HH21 ARG 7 50.519 24.297 -3.858 54 HH22 ARG 7 HH22 ARG 7 50.996 25.957 -3.985 55 H ARG 8 HN ARG 8 49.838 18.161 0.588 56 HA ARG 8 HA ARG 8 52.723 18.268 0.483 57 HB2 ARG 8 HB2 ARG 8 52.204 19.778 2.403 58 HB3 ARG 8 HB1 ARG 8 51.385 18.429 3.194 59 HG2 ARG 8 HG2 ARG 8 53.443 17.134 3.226 60 HG3 ARG 8 HG1 ARG 8 54.280 18.380 2.298 61 HD2 ARG 8 HD2 ARG 8 53.109 18.715 5.076 62 HD3 ARG 8 HD1 ARG 8 54.824 18.601 4.681 63 HE ARG 8 HE ARG 8 53.234 20.986 4.490 64 HH11 ARG 8 HH11 ARG 8 53.554 22.145 2.357 65 HH12 ARG 8 HH12 ARG 8 55.202 22.205 1.824 66 HH21 ARG 8 HH21 ARG 8 56.287 19.769 4.040 67 HH22 ARG 8 HH22 ARG 8 56.748 20.862 2.777 68 H ALA 9 HN ALA 9 50.520 16.824 2.874 69 HA ALA 9 HA ALA 9 51.671 14.240 2.613 70 HB1 ALA 9 HB1 ALA 9 49.695 13.521 3.970 71 HB2 ALA 9 HB2 ALA 9 49.076 15.168 3.843 72 HB3 ALA 9 HB3 ALA 9 50.601 14.861 4.673 73 H ALA 10 HN ALA 10 49.820 15.884 0.460 74 HA ALA 10 HA ALA 10 47.921 13.945 -0.374 75 HB1 ALA 10 HB1 ALA 10 47.891 15.265 -2.490 76 HB2 ALA 10 HB2 ALA 10 49.238 16.217 -1.866 77 HB3 ALA 10 HB3 ALA 10 47.679 16.250 -1.044 78 H HIS 11 HN HIS 11 50.374 14.993 -2.645 79 HA HIS 11 HA HIS 11 51.831 12.549 -2.745 80 HB2 HIS 11 HB2 HIS 11 50.995 11.697 -4.886 81 HB3 HIS 11 HB1 HIS 11 49.708 11.713 -3.680 82 HD1 HIS 11 HD1 HIS 11 49.150 14.828 -3.861 83 HD2 HIS 11 HD2 HIS 11 49.255 12.179 -7.075 84 HE1 HIS 11 HE1 HIS 11 47.830 15.915 -5.729 85 H VAL 12 HN VAL 12 51.671 15.680 -3.129 86 HA VAL 12 HA VAL 12 52.799 16.247 -5.659 87 HB VAL 12 HB VAL 12 53.557 18.382 -4.606 88 HG11 VAL 12 HG11 VAL 12 51.270 19.156 -3.961 89 HG12 VAL 12 HG12 VAL 12 50.735 17.475 -3.955 90 HG13 VAL 12 HG13 VAL 12 51.275 18.224 -5.458 91 HG21 VAL 12 HG21 VAL 12 52.495 17.031 -2.103 92 HG22 VAL 12 HG22 VAL 12 52.873 18.750 -2.216 93 HG23 VAL 12 HG23 VAL 12 54.154 17.551 -2.396 94 H GLY 13 HN GLY 13 54.053 14.590 -3.017 95 HA2 GLY 13 HA1 GLY 13 56.620 14.301 -4.225 96 HA3 GLY 13 HA2 GLY 13 56.695 15.327 -2.798 97 H ARG 14 HN ARG 14 55.169 14.269 -0.965 98 HA ARG 14 HA ARG 14 56.513 11.821 -0.250 99 HB2 ARG 14 HB2 ARG 14 54.250 13.294 1.121 100 HB3 ARG 14 HB1 ARG 14 55.201 11.985 1.822 101 HG2 ARG 14 HG2 ARG 14 57.263 13.381 1.453 102 HG3 ARG 14 HG1 ARG 14 56.211 14.710 0.966 103 HD2 ARG 14 HD2 ARG 14 55.075 14.612 3.160 104 HD3 ARG 14 HD1 ARG 14 56.145 13.298 3.650 105 HE ARG 14 HE ARG 14 57.737 15.521 2.819 106 HH11 ARG 14 HH11 ARG 14 57.318 13.758 5.475 107 HH12 ARG 14 HH12 ARG 14 57.268 15.052 6.625 108 HH21 ARG 14 HH21 ARG 14 56.920 17.528 4.221 109 HH22 ARG 14 HH22 ARG 14 57.042 17.186 5.915 110 H HIS 15 HN HIS 15 55.673 10.635 -2.182 111 HA HIS 15 HA HIS 15 52.959 9.995 -2.533 112 HB2 HIS 15 HB2 HIS 15 55.387 8.303 -3.172 113 HB3 HIS 15 HB1 HIS 15 53.769 8.084 -3.840 114 HD1 HIS 15 HD1 HIS 15 55.978 8.663 -5.826 115 HD2 HIS 15 HD2 HIS 15 53.861 11.713 -3.935 116 HE1 HIS 15 HE1 HIS 15 56.182 10.706 -7.312 117 H VAL 16 HN VAL 16 52.180 9.686 -0.364 118 HA VAL 16 HA VAL 16 51.529 8.419 1.436 119 HB VAL 16 HB VAL 16 52.357 6.021 -0.225 120 HG11 VAL 16 HG11 VAL 16 51.695 5.584 2.114 121 HG12 VAL 16 HG12 VAL 16 50.494 4.949 0.989 122 HG13 VAL 16 HG13 VAL 16 50.186 6.457 1.851 123 HG21 VAL 16 HG21 VAL 16 49.819 7.682 -0.343 124 HG22 VAL 16 HG22 VAL 16 50.026 6.114 -1.125 125 HG23 VAL 16 HG23 VAL 16 51.005 7.489 -1.634 126 H GLY 17 HN GLY 17 53.585 9.387 2.374 127 HA2 GLY 17 HA1 GLY 17 55.361 9.129 3.799 128 HA3 GLY 17 HA2 GLY 17 54.934 7.426 3.886 129 H ARG 18 HN ARG 18 56.053 9.466 1.191 130 HA ARG 18 HA ARG 18 57.728 9.130 -0.347 131 HB2 ARG 18 HB2 ARG 18 59.011 9.702 1.756 132 HB3 ARG 18 HB1 ARG 18 59.243 7.970 2.000 133 HG2 ARG 18 HG2 ARG 18 60.345 7.796 -0.195 134 HG3 ARG 18 HG1 ARG 18 60.099 9.521 -0.463 135 HD2 ARG 18 HD2 ARG 18 61.463 10.022 1.540 136 HD3 ARG 18 HD1 ARG 18 61.730 8.295 1.780 137 HE ARG 18 HE ARG 18 63.422 8.457 0.163 138 HH11 ARG 18 HH11 ARG 18 63.895 11.269 0.185 139 HH12 ARG 18 HH12 ARG 18 63.424 11.813 -1.390 140 HH21 ARG 18 HH21 ARG 18 61.565 8.975 -2.106 141 HH22 ARG 18 HH22 ARG 18 62.105 10.515 -2.688 142 H ALA 19 HN ALA 19 56.395 7.467 -1.367 143 HA ALA 19 HA ALA 19 56.129 5.422 -2.364 144 HB1 ALA 19 HB1 ALA 19 58.076 4.136 -2.793 145 HB2 ALA 19 HB2 ALA 19 58.897 4.767 -1.366 146 HB3 ALA 19 HB3 ALA 19 58.605 5.817 -2.751 147 H ALA 20 HN ALA 20 55.323 3.418 -1.859 148 HA ALA 20 HA ALA 20 55.959 2.026 0.557 149 HB1 ALA 20 HB1 ALA 20 53.726 2.262 1.611 150 HB2 ALA 20 HB2 ALA 20 53.323 3.498 0.420 151 HB3 ALA 20 HB3 ALA 20 54.626 3.778 1.575 152 H LEU 21 HN LEU 21 55.597 -0.066 0.182 153 HA LEU 21 HA LEU 21 54.240 -0.908 -2.216 154 HB2 LEU 21 HB2 LEU 21 55.179 -2.721 0.009 155 HB3 LEU 21 HB1 LEU 21 55.049 -3.075 -1.713 156 HG LEU 21 HG LEU 21 57.008 -1.161 -0.408 157 HD11 LEU 21 HD11 LEU 21 57.453 -3.636 -0.210 158 HD12 LEU 21 HD12 LEU 21 58.693 -2.751 -1.098 159 HD13 LEU 21 HD13 LEU 21 57.499 -3.711 -1.971 160 HD21 LEU 21 HD21 LEU 21 56.463 -0.194 -2.522 161 HD22 LEU 21 HD22 LEU 21 56.386 -1.770 -3.311 162 HD23 LEU 21 HD23 LEU 21 57.942 -1.107 -2.811 163 H THR 22 HN THR 22 53.096 0.004 0.752 164 HA THR 22 HA THR 22 51.091 -2.027 1.153 165 HB THR 22 HB THR 22 50.169 -0.460 2.842 166 HG1 THR 22 HG1 THR 22 52.320 1.241 2.190 167 HG21 THR 22 HG21 THR 22 52.135 -1.976 3.311 168 HG22 THR 22 HG22 THR 22 52.045 -0.554 4.351 169 HG23 THR 22 HG23 THR 22 53.189 -0.595 3.009 170 H HIS 23 HN HIS 23 49.638 0.980 1.499 171 HA HIS 23 HA HIS 23 47.699 1.793 0.539 172 HB2 HIS 23 HB2 HIS 23 48.054 2.687 -1.685 173 HB3 HIS 23 HB1 HIS 23 49.535 2.876 -0.748 174 HD1 HIS 23 HD1 HIS 23 51.533 1.275 -1.330 175 HD2 HIS 23 HD2 HIS 23 48.276 0.977 -3.912 176 HE1 HIS 23 HE1 HIS 23 52.328 -0.053 -3.335 177 H TYR 24 HN TYR 24 46.607 1.513 -1.999 178 HA TYR 24 HA TYR 24 46.325 -1.219 -2.774 179 HB2 TYR 24 HB2 TYR 24 44.059 -1.622 -2.005 180 HB3 TYR 24 HB1 TYR 24 45.084 -1.262 -0.618 181 HD1 TYR 24 HD1 TYR 24 45.108 1.116 0.322 182 HD2 TYR 24 HD2 TYR 24 42.161 -0.253 -2.521 183 HE1 TYR 24 HE1 TYR 24 43.627 3.023 0.937 184 HE2 TYR 24 HE2 TYR 24 40.680 1.653 -1.903 185 HH TYR 24 HH TYR 24 40.666 3.701 -0.871 186 H LEU 25 HN LEU 25 46.127 1.988 -3.319 187 HA LEU 25 HA LEU 25 43.891 2.202 -5.075 188 HB2 LEU 25 HB2 LEU 25 46.388 3.893 -5.239 189 HB3 LEU 25 HB1 LEU 25 44.730 4.347 -5.627 190 HG LEU 25 HG LEU 25 45.832 3.739 -2.869 191 HD11 LEU 25 HD11 LEU 25 44.661 6.298 -3.992 192 HD12 LEU 25 HD12 LEU 25 46.392 5.966 -3.918 193 HD13 LEU 25 HD13 LEU 25 45.452 6.084 -2.430 194 HD21 LEU 25 HD21 LEU 25 43.488 4.565 -2.185 195 HD22 LEU 25 HD22 LEU 25 43.583 2.940 -2.861 196 HD23 LEU 25 HD23 LEU 25 43.021 4.280 -3.861 Start of MODEL 35 1 H1 GLY 1 HT1 GLY 1 46.592 23.625 10.258 2 H2 GLY 1 HT2 GLY 1 47.664 23.979 11.529 3 H3 GLY 1 HT3 GLY 1 48.127 24.258 9.917 4 HA2 GLY 1 HA1 GLY 1 46.990 26.019 11.653 5 HA3 GLY 1 HA2 GLY 1 47.290 26.241 9.934 6 H TRP 2 HN TRP 2 45.449 24.083 9.174 7 HA TRP 2 HA TRP 2 42.843 24.645 10.171 8 HB2 TRP 2 HB2 TRP 2 43.275 26.782 8.972 9 HB3 TRP 2 HB1 TRP 2 43.506 25.866 7.481 10 HD1 TRP 2 HD1 TRP 2 41.347 24.348 6.681 11 HE1 TRP 2 HE1 TRP 2 38.830 24.877 6.870 12 HE3 TRP 2 HE3 TRP 2 41.486 27.963 10.303 13 HZ2 TRP 2 HZ2 TRP 2 37.090 26.611 8.363 14 HZ3 TRP 2 HZ3 TRP 2 39.385 29.040 11.095 15 HH2 TRP 2 HH2 TRP 2 37.189 28.368 10.129 16 H GLY 3 HN GLY 3 44.740 23.660 7.340 17 HA2 GLY 3 HA1 GLY 3 43.858 21.021 7.303 18 HA3 GLY 3 HA2 GLY 3 42.794 21.929 6.237 19 H SER 4 HN SER 4 46.001 23.101 6.538 20 HA SER 4 HA SER 4 46.540 22.588 3.750 21 HB2 SER 4 HB2 SER 4 47.255 24.663 4.974 22 HB3 SER 4 HB1 SER 4 48.419 23.678 5.856 23 HG SER 4 HG SER 4 48.353 23.473 3.072 24 H PHE 5 HN PHE 5 46.190 20.136 4.697 25 HA PHE 5 HA PHE 5 48.752 18.887 4.290 26 HB2 PHE 5 HB2 PHE 5 48.797 19.464 6.739 27 HB3 PHE 5 HB1 PHE 5 47.398 18.412 6.956 28 HD1 PHE 5 HD1 PHE 5 50.930 18.481 5.717 29 HD2 PHE 5 HD2 PHE 5 47.664 16.039 7.135 30 HE1 PHE 5 HE1 PHE 5 52.447 16.506 5.813 31 HE2 PHE 5 HE2 PHE 5 49.182 14.066 7.231 32 HZ PHE 5 HZ PHE 5 51.581 14.309 6.605 33 H PHE 6 HN PHE 6 47.074 18.396 2.540 34 HA PHE 6 HA PHE 6 46.205 15.696 2.876 35 HB2 PHE 6 HB2 PHE 6 44.360 16.814 4.066 36 HB3 PHE 6 HB1 PHE 6 44.046 17.805 2.643 37 HD1 PHE 6 HD1 PHE 6 43.098 16.832 0.591 38 HD2 PHE 6 HD2 PHE 6 43.822 14.421 4.097 39 HE1 PHE 6 HE1 PHE 6 41.688 15.014 -0.368 40 HE2 PHE 6 HE2 PHE 6 42.412 12.604 3.138 41 HZ PHE 6 HZ PHE 6 41.364 12.891 0.896 42 H ARG 7 HN ARG 7 46.788 18.512 1.077 43 HA ARG 7 HA ARG 7 46.914 17.029 -1.397 44 HB2 ARG 7 HB2 ARG 7 45.367 18.622 -2.599 45 HB3 ARG 7 HB1 ARG 7 44.563 17.503 -1.498 46 HG2 ARG 7 HG2 ARG 7 44.396 19.208 0.215 47 HG3 ARG 7 HG1 ARG 7 45.373 20.325 -0.739 48 HD2 ARG 7 HD2 ARG 7 43.054 20.945 -1.031 49 HD3 ARG 7 HD1 ARG 7 43.609 20.214 -2.536 50 HE ARG 7 HE ARG 7 42.120 18.417 -2.160 51 HH11 ARG 7 HH11 ARG 7 42.857 20.028 0.788 52 HH12 ARG 7 HH12 ARG 7 41.510 19.362 1.649 53 HH21 ARG 7 HH21 ARG 7 40.250 17.669 -1.103 54 HH22 ARG 7 HH22 ARG 7 40.033 18.027 0.579 55 H ARG 8 HN ARG 8 48.573 18.699 0.439 56 HA ARG 8 HA ARG 8 49.151 21.200 -0.735 57 HB2 ARG 8 HB2 ARG 8 51.278 21.057 0.498 58 HB3 ARG 8 HB1 ARG 8 49.917 20.579 1.516 59 HG2 ARG 8 HG2 ARG 8 50.412 18.174 0.861 60 HG3 ARG 8 HG1 ARG 8 51.905 18.763 0.131 61 HD2 ARG 8 HD2 ARG 8 51.116 19.176 3.029 62 HD3 ARG 8 HD1 ARG 8 52.256 17.957 2.458 63 HE ARG 8 HE ARG 8 53.180 20.428 1.470 64 HH11 ARG 8 HH11 ARG 8 54.263 18.327 3.603 65 HH12 ARG 8 HH12 ARG 8 54.729 19.434 4.850 66 HH21 ARG 8 HH21 ARG 8 53.033 22.123 3.463 67 HH22 ARG 8 HH22 ARG 8 54.032 21.583 4.772 68 H ALA 9 HN ALA 9 49.842 17.987 -1.725 69 HA ALA 9 HA ALA 9 51.016 18.871 -4.181 70 HB1 ALA 9 HB1 ALA 9 52.951 19.075 -2.621 71 HB2 ALA 9 HB2 ALA 9 53.213 17.913 -3.922 72 HB3 ALA 9 HB3 ALA 9 52.819 17.347 -2.299 73 H ALA 10 HN ALA 10 49.155 17.606 -4.813 74 HA ALA 10 HA ALA 10 48.092 15.693 -5.523 75 HB1 ALA 10 HB1 ALA 10 50.885 14.557 -5.609 76 HB2 ALA 10 HB2 ALA 10 50.235 15.648 -6.833 77 HB3 ALA 10 HB3 ALA 10 49.496 14.067 -6.578 78 H HIS 11 HN HIS 11 47.799 15.892 -2.885 79 HA HIS 11 HA HIS 11 47.428 14.728 -0.936 80 HB2 HIS 11 HB2 HIS 11 47.438 12.376 -2.845 81 HB3 HIS 11 HB1 HIS 11 46.770 12.378 -1.213 82 HD1 HIS 11 HD1 HIS 11 46.357 14.431 -4.411 83 HD2 HIS 11 HD2 HIS 11 44.090 13.018 -1.211 84 HE1 HIS 11 HE1 HIS 11 43.968 15.153 -4.851 85 H VAL 12 HN VAL 12 49.232 14.949 0.296 86 HA VAL 12 HA VAL 12 51.703 13.628 -0.252 87 HB VAL 12 HB VAL 12 51.572 15.729 1.070 88 HG11 VAL 12 HG11 VAL 12 50.712 15.740 3.311 89 HG12 VAL 12 HG12 VAL 12 50.483 13.991 3.300 90 HG13 VAL 12 HG13 VAL 12 49.465 15.021 2.294 91 HG21 VAL 12 HG21 VAL 12 53.491 14.110 1.279 92 HG22 VAL 12 HG22 VAL 12 52.695 13.422 2.694 93 HG23 VAL 12 HG23 VAL 12 53.239 15.100 2.716 94 H GLY 13 HN GLY 13 48.905 12.902 1.759 95 HA2 GLY 13 HA1 GLY 13 50.012 10.815 3.280 96 HA3 GLY 13 HA2 GLY 13 48.303 11.024 2.926 97 H ARG 14 HN ARG 14 48.559 10.859 0.074 98 HA ARG 14 HA ARG 14 48.239 8.108 -0.324 99 HB2 ARG 14 HB2 ARG 14 47.452 10.014 -1.820 100 HB3 ARG 14 HB1 ARG 14 49.094 10.076 -2.456 101 HG2 ARG 14 HG2 ARG 14 48.942 7.797 -3.254 102 HG3 ARG 14 HG1 ARG 14 47.389 7.568 -2.452 103 HD2 ARG 14 HD2 ARG 14 47.059 8.006 -4.849 104 HD3 ARG 14 HD1 ARG 14 46.400 9.327 -3.883 105 HE ARG 14 HE ARG 14 49.110 9.934 -4.578 106 HH11 ARG 14 HH11 ARG 14 49.498 10.326 -6.926 107 HH12 ARG 14 HH12 ARG 14 48.218 11.147 -7.754 108 HH21 ARG 14 HH21 ARG 14 45.915 10.690 -5.202 109 HH22 ARG 14 HH22 ARG 14 46.190 11.353 -6.778 110 H HIS 15 HN HIS 15 49.562 6.673 -1.681 111 HA HIS 15 HA HIS 15 51.514 5.506 -2.015 112 HB2 HIS 15 HB2 HIS 15 52.578 8.317 -2.381 113 HB3 HIS 15 HB1 HIS 15 53.439 6.845 -2.830 114 HD1 HIS 15 HD1 HIS 15 51.395 5.175 -4.206 115 HD2 HIS 15 HD2 HIS 15 51.615 9.296 -4.783 116 HE1 HIS 15 HE1 HIS 15 50.215 5.656 -6.394 117 H VAL 16 HN VAL 16 53.186 8.289 -0.650 118 HA VAL 16 HA VAL 16 54.543 6.639 1.271 119 HB VAL 16 HB VAL 16 54.470 9.670 1.217 120 HG11 VAL 16 HG11 VAL 16 55.480 8.650 3.215 121 HG12 VAL 16 HG12 VAL 16 56.725 9.398 2.217 122 HG13 VAL 16 HG13 VAL 16 56.512 7.648 2.195 123 HG21 VAL 16 HG21 VAL 16 56.190 7.724 -0.352 124 HG22 VAL 16 HG22 VAL 16 56.533 9.447 -0.201 125 HG23 VAL 16 HG23 VAL 16 55.064 8.908 -1.016 126 H GLY 17 HN GLY 17 52.336 5.909 2.132 127 HA2 GLY 17 HA1 GLY 17 51.974 6.673 4.732 128 HA3 GLY 17 HA2 GLY 17 50.886 7.713 3.822 129 H ARG 18 HN ARG 18 49.728 6.277 1.984 130 HA ARG 18 HA ARG 18 47.798 4.750 3.251 131 HB2 ARG 18 HB2 ARG 18 47.682 5.666 0.911 132 HB3 ARG 18 HB1 ARG 18 48.721 4.335 0.401 133 HG2 ARG 18 HG2 ARG 18 47.081 2.703 1.171 134 HG3 ARG 18 HG1 ARG 18 46.061 3.991 1.814 135 HD2 ARG 18 HD2 ARG 18 45.859 4.927 -0.494 136 HD3 ARG 18 HD1 ARG 18 46.772 3.545 -1.100 137 HE ARG 18 HE ARG 18 43.994 3.506 -0.582 138 HH11 ARG 18 HH11 ARG 18 46.616 1.510 -1.091 139 HH12 ARG 18 HH12 ARG 18 45.920 0.098 -0.368 140 HH21 ARG 18 HH21 ARG 18 43.178 1.786 0.919 141 HH22 ARG 18 HH22 ARG 18 43.974 0.255 0.771 142 H ALA 19 HN ALA 19 50.872 3.723 1.845 143 HA ALA 19 HA ALA 19 52.034 1.747 1.972 144 HB1 ALA 19 HB1 ALA 19 51.735 2.285 4.413 145 HB2 ALA 19 HB2 ALA 19 51.952 0.572 4.051 146 HB3 ALA 19 HB3 ALA 19 50.343 1.201 4.410 147 H ALA 20 HN ALA 20 51.605 0.354 0.384 148 HA ALA 20 HA ALA 20 49.716 -1.771 0.770 149 HB1 ALA 20 HB1 ALA 20 48.329 -1.286 -1.204 150 HB2 ALA 20 HB2 ALA 20 49.155 0.261 -1.396 151 HB3 ALA 20 HB3 ALA 20 48.162 -0.038 0.031 152 H LEU 21 HN LEU 21 49.549 -3.044 -1.439 153 HA LEU 21 HA LEU 21 52.245 -3.708 -2.164 154 HB2 LEU 21 HB2 LEU 21 49.515 -4.674 -3.015 155 HB3 LEU 21 HB1 LEU 21 50.957 -5.211 -3.876 156 HG LEU 21 HG LEU 21 51.913 -6.067 -1.780 157 HD11 LEU 21 HD11 LEU 21 49.370 -4.930 -0.597 158 HD12 LEU 21 HD12 LEU 21 51.035 -4.596 -0.121 159 HD13 LEU 21 HD13 LEU 21 50.320 -6.168 0.227 160 HD21 LEU 21 HD21 LEU 21 50.291 -7.907 -1.409 161 HD22 LEU 21 HD22 LEU 21 50.486 -7.557 -3.126 162 HD23 LEU 21 HD23 LEU 21 49.058 -6.980 -2.266 163 H THR 22 HN THR 22 52.656 -1.397 -2.878 164 HA THR 22 HA THR 22 51.579 -0.576 -5.433 165 HB THR 22 HB THR 22 53.982 0.535 -3.950 166 HG1 THR 22 HG1 THR 22 51.212 0.970 -3.739 167 HG21 THR 22 HG21 THR 22 53.908 1.243 -6.268 168 HG22 THR 22 HG22 THR 22 53.378 2.589 -5.259 169 HG23 THR 22 HG23 THR 22 52.191 1.624 -6.136 170 H HIS 23 HN HIS 23 52.631 -0.564 -7.412 171 HA HIS 23 HA HIS 23 54.270 -2.719 -8.070 172 HB2 HIS 23 HB2 HIS 23 54.038 -0.060 -9.500 173 HB3 HIS 23 HB1 HIS 23 54.673 -1.550 -10.197 174 HD1 HIS 23 HD1 HIS 23 52.696 -3.635 -9.373 175 HD2 HIS 23 HD2 HIS 23 51.516 0.161 -10.621 176 HE1 HIS 23 HE1 HIS 23 50.279 -3.839 -10.095 177 H TYR 24 HN TYR 24 56.509 -2.718 -8.824 178 HA TYR 24 HA TYR 24 58.750 -2.430 -8.385 179 HB2 TYR 24 HB2 TYR 24 58.248 -0.357 -9.689 180 HB3 TYR 24 HB1 TYR 24 57.968 0.487 -8.165 181 HD1 TYR 24 HD1 TYR 24 60.509 -1.267 -10.238 182 HD2 TYR 24 HD2 TYR 24 59.806 1.144 -6.727 183 HE1 TYR 24 HE1 TYR 24 62.961 -0.886 -10.007 184 HE2 TYR 24 HE2 TYR 24 62.258 1.525 -6.497 185 HH TYR 24 HH TYR 24 64.526 -0.248 -7.766 186 H LEU 25 HN LEU 25 59.161 -3.392 -6.453 187 HA LEU 25 HA LEU 25 58.271 -2.745 -3.941 188 HB2 LEU 25 HB2 LEU 25 60.060 -4.036 -3.063 189 HB3 LEU 25 HB1 LEU 25 59.694 -4.736 -4.636 190 HG LEU 25 HG LEU 25 62.003 -2.896 -3.934 191 HD11 LEU 25 HD11 LEU 25 62.151 -5.367 -3.431 192 HD12 LEU 25 HD12 LEU 25 63.374 -4.776 -4.557 193 HD13 LEU 25 HD13 LEU 25 61.976 -5.663 -5.160 194 HD21 LEU 25 HD21 LEU 25 60.937 -3.796 -6.625 195 HD22 LEU 25 HD22 LEU 25 62.609 -3.284 -6.406 196 HD23 LEU 25 HD23 LEU 25 61.296 -2.152 -6.096 Start of MODEL 36 1 H1 GLY 1 HT1 GLY 1 38.587 24.069 3.800 2 H2 GLY 1 HT2 GLY 1 39.615 23.786 5.123 3 H3 GLY 1 HT3 GLY 1 40.046 24.920 3.934 4 HA2 GLY 1 HA1 GLY 1 37.828 26.006 4.585 5 HA3 GLY 1 HA2 GLY 1 38.094 25.106 6.073 6 H TRP 2 HN TRP 2 41.093 25.382 5.446 7 HA TRP 2 HA TRP 2 41.604 28.218 5.809 8 HB2 TRP 2 HB2 TRP 2 42.079 26.249 8.060 9 HB3 TRP 2 HB1 TRP 2 42.740 27.883 8.005 10 HD1 TRP 2 HD1 TRP 2 39.531 25.956 8.580 11 HE1 TRP 2 HE1 TRP 2 37.703 27.571 9.416 12 HE3 TRP 2 HE3 TRP 2 41.928 30.425 7.878 13 HZ2 TRP 2 HZ2 TRP 2 37.300 30.396 9.746 14 HZ3 TRP 2 HZ3 TRP 2 40.801 32.567 8.461 15 HH2 TRP 2 HH2 TRP 2 38.491 32.558 9.394 16 H GLY 3 HN GLY 3 42.385 25.342 4.552 17 HA2 GLY 3 HA1 GLY 3 44.224 24.671 3.342 18 HA3 GLY 3 HA2 GLY 3 45.013 26.177 3.785 19 H SER 4 HN SER 4 43.723 24.089 6.246 20 HA SER 4 HA SER 4 46.267 23.854 7.528 21 HB2 SER 4 HB2 SER 4 45.108 22.594 9.206 22 HB3 SER 4 HB1 SER 4 44.025 23.883 8.690 23 HG SER 4 HG SER 4 43.652 21.825 7.075 24 H PHE 5 HN PHE 5 46.831 21.493 8.354 25 HA PHE 5 HA PHE 5 47.682 20.046 6.026 26 HB2 PHE 5 HB2 PHE 5 47.833 19.246 8.942 27 HB3 PHE 5 HB1 PHE 5 48.744 18.530 7.612 28 HD1 PHE 5 HD1 PHE 5 50.369 19.970 6.292 29 HD2 PHE 5 HD2 PHE 5 48.570 21.278 9.992 30 HE1 PHE 5 HE1 PHE 5 52.121 21.728 6.523 31 HE2 PHE 5 HE2 PHE 5 50.322 23.035 10.223 32 HZ PHE 5 HZ PHE 5 52.096 23.262 8.487 33 H PHE 6 HN PHE 6 47.398 17.585 6.008 34 HA PHE 6 HA PHE 6 44.877 16.565 7.019 35 HB2 PHE 6 HB2 PHE 6 45.291 16.955 4.043 36 HB3 PHE 6 HB1 PHE 6 43.983 16.025 4.773 37 HD1 PHE 6 HD1 PHE 6 42.441 17.220 6.468 38 HD2 PHE 6 HD2 PHE 6 45.079 19.314 3.767 39 HE1 PHE 6 HE1 PHE 6 41.106 19.302 6.777 40 HE2 PHE 6 HE2 PHE 6 43.744 21.395 4.077 41 HZ PHE 6 HZ PHE 6 41.764 21.392 5.590 42 H ARG 7 HN ARG 7 47.991 16.160 6.464 43 HA ARG 7 HA ARG 7 49.404 14.358 6.310 44 HB2 ARG 7 HB2 ARG 7 46.974 12.639 6.830 45 HB3 ARG 7 HB1 ARG 7 48.657 12.293 7.230 46 HG2 ARG 7 HG2 ARG 7 48.621 14.317 8.743 47 HG3 ARG 7 HG1 ARG 7 46.883 14.417 8.461 48 HD2 ARG 7 HD2 ARG 7 47.333 13.174 10.531 49 HD3 ARG 7 HD1 ARG 7 46.624 12.106 9.319 50 HE ARG 7 HE ARG 7 48.622 10.867 9.377 51 HH11 ARG 7 HH11 ARG 7 50.454 12.924 8.359 52 HH12 ARG 7 HH12 ARG 7 51.528 13.193 9.691 53 HH21 ARG 7 HH21 ARG 7 49.432 11.708 12.021 54 HH22 ARG 7 HH22 ARG 7 50.950 12.504 11.765 55 H ARG 8 HN ARG 8 47.460 15.213 4.020 56 HA ARG 8 HA ARG 8 48.550 13.454 2.066 57 HB2 ARG 8 HB2 ARG 8 46.619 12.114 3.189 58 HB3 ARG 8 HB1 ARG 8 45.547 13.200 2.307 59 HG2 ARG 8 HG2 ARG 8 46.756 12.556 0.190 60 HG3 ARG 8 HG1 ARG 8 47.650 11.359 1.126 61 HD2 ARG 8 HD2 ARG 8 44.630 11.474 0.882 62 HD3 ARG 8 HD1 ARG 8 45.676 10.361 0.001 63 HE ARG 8 HE ARG 8 46.164 10.149 2.829 64 HH11 ARG 8 HH11 ARG 8 44.712 8.767 0.107 65 HH12 ARG 8 HH12 ARG 8 43.736 7.642 0.994 66 HH21 ARG 8 HH21 ARG 8 44.564 8.961 4.091 67 HH22 ARG 8 HH22 ARG 8 43.654 7.753 3.249 68 H ALA 9 HN ALA 9 48.359 16.270 2.582 69 HA ALA 9 HA ALA 9 46.419 17.432 0.795 70 HB1 ALA 9 HB1 ALA 9 47.417 18.548 2.834 71 HB2 ALA 9 HB2 ALA 9 47.414 19.518 1.362 72 HB3 ALA 9 HB3 ALA 9 48.900 18.739 1.902 73 H ALA 10 HN ALA 10 48.846 19.284 -0.014 74 HA ALA 10 HA ALA 10 49.023 18.539 -2.680 75 HB1 ALA 10 HB1 ALA 10 50.882 20.054 -2.847 76 HB2 ALA 10 HB2 ALA 10 51.191 19.939 -1.114 77 HB3 ALA 10 HB3 ALA 10 49.726 20.730 -1.699 78 H HIS 11 HN HIS 11 51.441 17.934 -0.122 79 HA HIS 11 HA HIS 11 52.023 15.305 -1.045 80 HB2 HIS 11 HB2 HIS 11 54.320 15.715 -1.857 81 HB3 HIS 11 HB1 HIS 11 53.116 16.502 -2.880 82 HD1 HIS 11 HD1 HIS 11 53.083 18.515 -0.011 83 HD2 HIS 11 HD2 HIS 11 55.895 18.035 -3.046 84 HE1 HIS 11 HE1 HIS 11 54.503 20.611 -0.010 85 H VAL 12 HN VAL 12 51.375 15.984 1.419 86 HA VAL 12 HA VAL 12 53.441 16.834 3.142 87 HB VAL 12 HB VAL 12 51.226 14.900 3.883 88 HG11 VAL 12 HG11 VAL 12 51.447 15.976 6.084 89 HG12 VAL 12 HG12 VAL 12 52.702 17.040 5.449 90 HG13 VAL 12 HG13 VAL 12 52.996 15.306 5.572 91 HG21 VAL 12 HG21 VAL 12 49.960 17.018 4.457 92 HG22 VAL 12 HG22 VAL 12 50.169 16.739 2.729 93 HG23 VAL 12 HG23 VAL 12 51.184 17.915 3.562 94 H GLY 13 HN GLY 13 52.744 13.774 1.641 95 HA2 GLY 13 HA1 GLY 13 55.243 12.665 1.974 96 HA3 GLY 13 HA2 GLY 13 54.317 12.149 3.377 97 H ARG 14 HN ARG 14 54.791 11.808 -0.033 98 HA ARG 14 HA ARG 14 52.473 10.260 -0.612 99 HB2 ARG 14 HB2 ARG 14 53.660 9.636 -2.667 100 HB3 ARG 14 HB1 ARG 14 53.803 11.368 -2.365 101 HG2 ARG 14 HG2 ARG 14 56.019 10.887 -1.233 102 HG3 ARG 14 HG1 ARG 14 55.885 9.236 -1.838 103 HD2 ARG 14 HD2 ARG 14 57.220 10.526 -3.407 104 HD3 ARG 14 HD1 ARG 14 55.666 10.165 -4.157 105 HE ARG 14 HE ARG 14 55.629 12.719 -2.783 106 HH11 ARG 14 HH11 ARG 14 57.248 14.184 -4.056 107 HH12 ARG 14 HH12 ARG 14 56.908 14.208 -5.754 108 HH21 ARG 14 HH21 ARG 14 54.893 11.387 -5.661 109 HH22 ARG 14 HH22 ARG 14 55.575 12.624 -6.663 110 H HIS 15 HN HIS 15 54.729 9.578 1.572 111 HA HIS 15 HA HIS 15 55.575 6.942 0.950 112 HB2 HIS 15 HB2 HIS 15 56.596 8.389 2.716 113 HB3 HIS 15 HB1 HIS 15 55.147 8.150 3.694 114 HD1 HIS 15 HD1 HIS 15 57.081 5.600 1.623 115 HD2 HIS 15 HD2 HIS 15 55.891 6.252 5.562 116 HE1 HIS 15 HE1 HIS 15 57.830 3.572 2.942 117 H VAL 16 HN VAL 16 52.532 8.082 1.341 118 HA VAL 16 HA VAL 16 51.419 5.439 1.732 119 HB VAL 16 HB VAL 16 51.722 6.167 4.084 120 HG11 VAL 16 HG11 VAL 16 50.618 8.130 4.940 121 HG12 VAL 16 HG12 VAL 16 49.816 8.421 3.398 122 HG13 VAL 16 HG13 VAL 16 51.561 8.630 3.538 123 HG21 VAL 16 HG21 VAL 16 49.736 4.797 3.328 124 HG22 VAL 16 HG22 VAL 16 48.803 6.292 3.262 125 HG23 VAL 16 HG23 VAL 16 49.455 5.728 4.799 126 H GLY 17 HN GLY 17 51.088 8.867 1.170 127 HA2 GLY 17 HA1 GLY 17 48.330 8.884 0.498 128 HA3 GLY 17 HA2 GLY 17 49.511 10.112 0.063 129 H ARG 18 HN ARG 18 50.881 7.398 -1.019 130 HA ARG 18 HA ARG 18 49.337 6.999 -3.457 131 HB2 ARG 18 HB2 ARG 18 50.745 9.083 -3.823 132 HB3 ARG 18 HB1 ARG 18 52.166 8.049 -3.676 133 HG2 ARG 18 HG2 ARG 18 51.192 6.604 -5.512 134 HG3 ARG 18 HG1 ARG 18 49.956 7.842 -5.738 135 HD2 ARG 18 HD2 ARG 18 51.712 9.519 -6.183 136 HD3 ARG 18 HD1 ARG 18 52.948 8.281 -5.962 137 HE ARG 18 HE ARG 18 51.050 7.462 -7.969 138 HH11 ARG 18 HH11 ARG 18 53.715 6.823 -8.623 139 HH12 ARG 18 HH12 ARG 18 54.246 8.077 -9.694 140 HH21 ARG 18 HH21 ARG 18 51.720 10.276 -8.799 141 HH22 ARG 18 HH22 ARG 18 53.117 10.032 -9.793 142 H ALA 19 HN ALA 19 52.238 6.370 -1.551 143 HA ALA 19 HA ALA 19 53.577 4.508 -1.358 144 HB1 ALA 19 HB1 ALA 19 51.418 3.660 -0.472 145 HB2 ALA 19 HB2 ALA 19 52.398 2.400 -1.222 146 HB3 ALA 19 HB3 ALA 19 51.019 3.078 -2.089 147 H ALA 20 HN ALA 20 53.608 2.066 -2.656 148 HA ALA 20 HA ALA 20 53.435 2.300 -5.492 149 HB1 ALA 20 HB1 ALA 20 55.374 3.805 -5.019 150 HB2 ALA 20 HB2 ALA 20 55.767 2.434 -6.054 151 HB3 ALA 20 HB3 ALA 20 56.226 2.414 -4.352 152 H LEU 21 HN LEU 21 52.894 0.464 -3.198 153 HA LEU 21 HA LEU 21 54.649 -1.794 -3.484 154 HB2 LEU 21 HB2 LEU 21 51.832 -1.899 -2.396 155 HB3 LEU 21 HB1 LEU 21 53.218 -2.896 -1.955 156 HG LEU 21 HG LEU 21 52.870 0.062 -1.381 157 HD11 LEU 21 HD11 LEU 21 51.557 -1.450 0.066 158 HD12 LEU 21 HD12 LEU 21 52.864 -0.684 0.969 159 HD13 LEU 21 HD13 LEU 21 53.022 -2.360 0.441 160 HD21 LEU 21 HD21 LEU 21 55.204 -1.830 -0.970 161 HD22 LEU 21 HD22 LEU 21 55.025 -0.346 -0.033 162 HD23 LEU 21 HD23 LEU 21 55.204 -0.264 -1.783 163 H THR 22 HN THR 22 53.022 -0.552 -5.825 164 HA THR 22 HA THR 22 51.130 -2.333 -6.796 165 HB THR 22 HB THR 22 53.197 -0.911 -8.497 166 HG1 THR 22 HG1 THR 22 52.004 0.858 -8.281 167 HG21 THR 22 HG21 THR 22 50.388 -1.919 -9.018 168 HG22 THR 22 HG22 THR 22 51.878 -2.516 -9.749 169 HG23 THR 22 HG23 THR 22 51.294 -0.896 -10.132 170 H HIS 23 HN HIS 23 54.556 -2.718 -6.498 171 HA HIS 23 HA HIS 23 54.959 -4.727 -8.456 172 HB2 HIS 23 HB2 HIS 23 56.493 -4.460 -5.866 173 HB3 HIS 23 HB1 HIS 23 57.064 -5.108 -7.404 174 HD1 HIS 23 HD1 HIS 23 57.116 -2.087 -5.457 175 HD2 HIS 23 HD2 HIS 23 57.030 -2.962 -9.531 176 HE1 HIS 23 HE1 HIS 23 57.806 0.031 -6.661 177 H TYR 24 HN TYR 24 53.285 -6.241 -8.320 178 HA TYR 24 HA TYR 24 52.530 -7.573 -5.927 179 HB2 TYR 24 HB2 TYR 24 52.245 -8.435 -8.816 180 HB3 TYR 24 HB1 TYR 24 51.432 -9.190 -7.446 181 HD1 TYR 24 HD1 TYR 24 51.621 -6.191 -9.592 182 HD2 TYR 24 HD2 TYR 24 49.635 -8.035 -6.232 183 HE1 TYR 24 HE1 TYR 24 49.818 -4.476 -9.716 184 HE2 TYR 24 HE2 TYR 24 47.833 -6.318 -6.356 185 HH TYR 24 HH TYR 24 48.182 -3.463 -8.298 186 H LEU 25 HN LEU 25 53.014 -9.693 -5.234 187 HA LEU 25 HA LEU 25 55.719 -10.430 -5.308 188 HB2 LEU 25 HB2 LEU 25 53.197 -11.890 -4.517 189 HB3 LEU 25 HB1 LEU 25 54.759 -12.704 -4.468 190 HG LEU 25 HG LEU 25 55.631 -10.920 -2.983 191 HD11 LEU 25 HD11 LEU 25 52.811 -9.862 -3.298 192 HD12 LEU 25 HD12 LEU 25 54.333 -9.008 -3.559 193 HD13 LEU 25 HD13 LEU 25 53.826 -9.422 -1.924 194 HD21 LEU 25 HD21 LEU 25 54.344 -11.583 -0.987 195 HD22 LEU 25 HD22 LEU 25 54.614 -12.974 -2.036 196 HD23 LEU 25 HD23 LEU 25 53.041 -12.178 -2.017 Start of MODEL 37 1 H1 GLY 1 HT1 GLY 1 38.460 9.570 3.497 2 H2 GLY 1 HT2 GLY 1 37.373 10.843 3.792 3 H3 GLY 1 HT3 GLY 1 37.259 9.399 4.682 4 HA2 GLY 1 HA1 GLY 1 38.980 9.869 5.993 5 HA3 GLY 1 HA2 GLY 1 39.764 10.840 4.753 6 H TRP 2 HN TRP 2 39.943 12.096 6.936 7 HA TRP 2 HA TRP 2 37.606 13.612 7.707 8 HB2 TRP 2 HB2 TRP 2 40.531 13.893 8.433 9 HB3 TRP 2 HB1 TRP 2 39.228 14.846 9.144 10 HD1 TRP 2 HD1 TRP 2 40.078 11.101 8.620 11 HE1 TRP 2 HE1 TRP 2 39.255 9.795 10.684 12 HE3 TRP 2 HE3 TRP 2 37.927 14.919 11.267 13 HZ2 TRP 2 HZ2 TRP 2 37.862 10.296 13.148 14 HZ3 TRP 2 HZ3 TRP 2 36.857 14.481 13.472 15 HH2 TRP 2 HH2 TRP 2 36.823 12.175 14.415 16 H GLY 3 HN GLY 3 40.142 13.920 5.391 17 HA2 GLY 3 HA1 GLY 3 38.983 16.078 4.049 18 HA3 GLY 3 HA2 GLY 3 40.226 16.724 5.112 19 H SER 4 HN SER 4 40.978 13.591 4.183 20 HA SER 4 HA SER 4 42.704 12.765 2.902 21 HB2 SER 4 HB2 SER 4 42.565 13.354 0.507 22 HB3 SER 4 HB1 SER 4 40.981 12.985 1.181 23 HG SER 4 HG SER 4 41.030 14.919 -0.095 24 H PHE 5 HN PHE 5 43.797 14.463 4.596 25 HA PHE 5 HA PHE 5 45.527 15.933 4.978 26 HB2 PHE 5 HB2 PHE 5 46.392 14.979 2.238 27 HB3 PHE 5 HB1 PHE 5 47.426 15.712 3.464 28 HD1 PHE 5 HD1 PHE 5 48.128 14.473 5.447 29 HD2 PHE 5 HD2 PHE 5 45.453 12.711 2.553 30 HE1 PHE 5 HE1 PHE 5 48.476 12.236 6.487 31 HE2 PHE 5 HE2 PHE 5 45.802 10.473 3.594 32 HZ PHE 5 HZ PHE 5 47.342 10.231 5.538 33 H PHE 6 HN PHE 6 47.044 17.479 3.166 34 HA PHE 6 HA PHE 6 45.133 19.623 2.612 35 HB2 PHE 6 HB2 PHE 6 48.141 19.614 2.267 36 HB3 PHE 6 HB1 PHE 6 47.077 21.020 2.338 37 HD1 PHE 6 HD1 PHE 6 48.662 18.308 4.286 38 HD2 PHE 6 HD2 PHE 6 46.082 21.764 4.453 39 HE1 PHE 6 HE1 PHE 6 48.866 18.340 6.769 40 HE2 PHE 6 HE2 PHE 6 46.286 21.796 6.937 41 HZ PHE 6 HZ PHE 6 47.607 20.030 8.097 42 H ARG 7 HN ARG 7 47.000 20.698 0.534 43 HA ARG 7 HA ARG 7 45.656 19.606 -1.751 44 HB2 ARG 7 HB2 ARG 7 47.924 21.589 -1.473 45 HB3 ARG 7 HB1 ARG 7 47.187 21.155 -3.017 46 HG2 ARG 7 HG2 ARG 7 44.967 21.851 -2.105 47 HG3 ARG 7 HG1 ARG 7 45.776 22.391 -0.633 48 HD2 ARG 7 HD2 ARG 7 47.182 23.924 -2.013 49 HD3 ARG 7 HD1 ARG 7 46.259 23.440 -3.437 50 HE ARG 7 HE ARG 7 45.391 25.341 -1.455 51 HH11 ARG 7 HH11 ARG 7 43.221 23.728 -0.767 52 HH12 ARG 7 HH12 ARG 7 42.087 23.863 -2.070 53 HH21 ARG 7 HH21 ARG 7 44.418 25.103 -4.319 54 HH22 ARG 7 HH22 ARG 7 42.766 24.640 -4.082 55 H ARG 8 HN ARG 8 47.827 18.128 0.026 56 HA ARG 8 HA ARG 8 49.507 16.584 -0.308 57 HB2 ARG 8 HB2 ARG 8 47.985 16.220 -2.900 58 HB3 ARG 8 HB1 ARG 8 49.126 15.068 -2.208 59 HG2 ARG 8 HG2 ARG 8 47.722 14.793 -0.235 60 HG3 ARG 8 HG1 ARG 8 46.613 16.036 -0.816 61 HD2 ARG 8 HD2 ARG 8 46.145 14.639 -2.823 62 HD3 ARG 8 HD1 ARG 8 47.185 13.379 -2.159 63 HE ARG 8 HE ARG 8 45.228 14.041 -0.200 64 HH11 ARG 8 HH11 ARG 8 45.937 11.292 -1.375 65 HH12 ARG 8 HH12 ARG 8 44.410 10.825 -2.047 66 HH21 ARG 8 HH21 ARG 8 43.073 14.021 -1.904 67 HH22 ARG 8 HH22 ARG 8 42.788 12.371 -2.345 68 H ALA 9 HN ALA 9 50.205 19.251 -1.045 69 HA ALA 9 HA ALA 9 51.439 19.449 -3.567 70 HB1 ALA 9 HB1 ALA 9 52.720 21.295 -2.566 71 HB2 ALA 9 HB2 ALA 9 52.165 20.802 -0.966 72 HB3 ALA 9 HB3 ALA 9 51.008 21.395 -2.158 73 H ALA 10 HN ALA 10 53.131 18.406 -4.373 74 HA ALA 10 HA ALA 10 55.006 17.085 -4.516 75 HB1 ALA 10 HB1 ALA 10 55.803 18.619 -2.039 76 HB2 ALA 10 HB2 ALA 10 55.996 19.202 -3.693 77 HB3 ALA 10 HB3 ALA 10 56.885 17.780 -3.149 78 H HIS 11 HN HIS 11 52.770 15.983 -3.084 79 HA HIS 11 HA HIS 11 52.220 14.250 -1.673 80 HB2 HIS 11 HB2 HIS 11 55.087 13.478 -2.272 81 HB3 HIS 11 HB1 HIS 11 53.856 12.406 -1.605 82 HD1 HIS 11 HD1 HIS 11 54.648 14.380 -4.741 83 HD2 HIS 11 HD2 HIS 11 52.023 11.398 -3.489 84 HE1 HIS 11 HE1 HIS 11 53.520 13.496 -6.829 85 H VAL 12 HN VAL 12 51.972 15.575 0.191 86 HA VAL 12 HA VAL 12 53.941 16.444 1.932 87 HB VAL 12 HB VAL 12 51.566 17.051 2.199 88 HG11 VAL 12 HG11 VAL 12 51.200 14.240 3.278 89 HG12 VAL 12 HG12 VAL 12 50.693 14.752 1.669 90 HG13 VAL 12 HG13 VAL 12 49.959 15.479 3.097 91 HG21 VAL 12 HG21 VAL 12 52.539 15.595 4.675 92 HG22 VAL 12 HG22 VAL 12 51.526 17.035 4.605 93 HG23 VAL 12 HG23 VAL 12 53.221 17.126 4.129 94 H GLY 13 HN GLY 13 52.766 13.224 1.385 95 HA2 GLY 13 HA1 GLY 13 53.583 12.018 3.802 96 HA3 GLY 13 HA2 GLY 13 53.344 11.191 2.269 97 H ARG 14 HN ARG 14 55.170 11.773 0.614 98 HA ARG 14 HA ARG 14 57.360 11.331 0.060 99 HB2 ARG 14 HB2 ARG 14 57.472 13.701 0.880 100 HB3 ARG 14 HB1 ARG 14 57.953 13.076 2.458 101 HG2 ARG 14 HG2 ARG 14 59.909 11.984 1.451 102 HG3 ARG 14 HG1 ARG 14 59.422 12.555 -0.145 103 HD2 ARG 14 HD2 ARG 14 61.180 13.991 0.907 104 HD3 ARG 14 HD1 ARG 14 59.693 14.873 0.549 105 HE ARG 14 HE ARG 14 59.465 13.922 3.201 106 HH11 ARG 14 HH11 ARG 14 62.459 14.784 2.735 107 HH12 ARG 14 HH12 ARG 14 62.404 16.373 3.423 108 HH21 ARG 14 HH21 ARG 14 58.939 16.514 3.482 109 HH22 ARG 14 HH22 ARG 14 60.410 17.352 3.846 110 H HIS 15 HN HIS 15 56.943 9.077 0.798 111 HA HIS 15 HA HIS 15 57.864 8.238 3.382 112 HB2 HIS 15 HB2 HIS 15 57.497 6.547 0.900 113 HB3 HIS 15 HB1 HIS 15 57.506 5.997 2.576 114 HD1 HIS 15 HD1 HIS 15 55.491 8.315 0.319 115 HD2 HIS 15 HD2 HIS 15 54.986 5.954 3.715 116 HE1 HIS 15 HE1 HIS 15 53.034 8.442 0.921 117 H VAL 16 HN VAL 16 59.325 5.896 2.358 118 HA VAL 16 HA VAL 16 61.960 6.886 2.579 119 HB VAL 16 HB VAL 16 62.648 4.588 1.832 120 HG11 VAL 16 HG11 VAL 16 60.421 4.652 3.891 121 HG12 VAL 16 HG12 VAL 16 62.095 5.110 4.203 122 HG13 VAL 16 HG13 VAL 16 61.701 3.444 3.780 123 HG21 VAL 16 HG21 VAL 16 59.644 4.269 1.529 124 HG22 VAL 16 HG22 VAL 16 60.793 2.932 1.522 125 HG23 VAL 16 HG23 VAL 16 60.846 4.146 0.245 126 H GLY 17 HN GLY 17 59.819 6.942 -0.018 127 HA2 GLY 17 HA1 GLY 17 61.719 8.100 -1.780 128 HA3 GLY 17 HA2 GLY 17 61.365 6.447 -2.261 129 H ARG 18 HN ARG 18 59.124 8.733 -0.778 130 HA ARG 18 HA ARG 18 57.093 9.539 -1.484 131 HB2 ARG 18 HB2 ARG 18 58.677 10.762 -3.031 132 HB3 ARG 18 HB1 ARG 18 58.337 9.524 -4.241 133 HG2 ARG 18 HG2 ARG 18 55.955 10.074 -4.188 134 HG3 ARG 18 HG1 ARG 18 56.229 11.245 -2.897 135 HD2 ARG 18 HD2 ARG 18 56.067 12.348 -5.111 136 HD3 ARG 18 HD1 ARG 18 57.656 12.580 -4.383 137 HE ARG 18 HE ARG 18 58.559 11.403 -6.204 138 HH11 ARG 18 HH11 ARG 18 55.221 11.466 -6.554 139 HH12 ARG 18 HH12 ARG 18 55.124 10.068 -7.572 140 HH21 ARG 18 HH21 ARG 18 58.460 9.215 -7.168 141 HH22 ARG 18 HH22 ARG 18 56.958 8.793 -7.919 142 H ALA 19 HN ALA 19 56.480 7.194 -0.973 143 HA ALA 19 HA ALA 19 55.854 5.499 -3.244 144 HB1 ALA 19 HB1 ALA 19 54.821 4.048 -1.521 145 HB2 ALA 19 HB2 ALA 19 55.160 5.285 -0.310 146 HB3 ALA 19 HB3 ALA 19 56.490 4.474 -1.138 147 H ALA 20 HN ALA 20 53.692 4.820 -3.784 148 HA ALA 20 HA ALA 20 51.380 6.126 -2.761 149 HB1 ALA 20 HB1 ALA 20 52.444 7.115 -5.409 150 HB2 ALA 20 HB2 ALA 20 52.276 8.057 -3.928 151 HB3 ALA 20 HB3 ALA 20 50.841 7.470 -4.766 152 H LEU 21 HN LEU 21 52.964 3.852 -4.624 153 HA LEU 21 HA LEU 21 50.864 3.066 -6.395 154 HB2 LEU 21 HB2 LEU 21 53.041 1.247 -5.358 155 HB3 LEU 21 HB1 LEU 21 52.222 1.196 -6.918 156 HG LEU 21 HG LEU 21 54.129 3.350 -5.956 157 HD11 LEU 21 HD11 LEU 21 55.521 2.527 -7.838 158 HD12 LEU 21 HD12 LEU 21 54.327 1.269 -8.155 159 HD13 LEU 21 HD13 LEU 21 55.230 1.265 -6.641 160 HD21 LEU 21 HD21 LEU 21 52.399 3.117 -8.435 161 HD22 LEU 21 HD22 LEU 21 53.850 4.120 -8.404 162 HD23 LEU 21 HD23 LEU 21 52.514 4.470 -7.310 163 H THR 22 HN THR 22 52.150 1.382 -3.516 164 HA THR 22 HA THR 22 49.869 -0.313 -3.280 165 HB THR 22 HB THR 22 50.868 -1.148 -1.282 166 HG1 THR 22 HG1 THR 22 51.947 1.423 -1.200 167 HG21 THR 22 HG21 THR 22 52.153 -1.605 -3.353 168 HG22 THR 22 HG22 THR 22 53.201 -1.514 -1.938 169 HG23 THR 22 HG23 THR 22 53.114 -0.156 -3.059 170 H HIS 23 HN HIS 23 48.185 -0.263 -1.782 171 HA HIS 23 HA HIS 23 47.872 1.781 0.177 172 HB2 HIS 23 HB2 HIS 23 46.031 3.025 -0.887 173 HB3 HIS 23 HB1 HIS 23 47.530 3.195 -1.801 174 HD1 HIS 23 HD1 HIS 23 47.760 1.233 -3.791 175 HD2 HIS 23 HD2 HIS 23 43.925 2.188 -2.466 176 HE1 HIS 23 HE1 HIS 23 46.162 0.461 -5.599 177 H TYR 24 HN TYR 24 45.321 1.912 0.687 178 HA TYR 24 HA TYR 24 43.903 -0.576 0.242 179 HB2 TYR 24 HB2 TYR 24 45.031 0.097 2.971 180 HB3 TYR 24 HB1 TYR 24 43.756 -1.089 2.697 181 HD1 TYR 24 HD1 TYR 24 44.221 -2.999 1.010 182 HD2 TYR 24 HD2 TYR 24 47.317 -0.529 2.726 183 HE1 TYR 24 HE1 TYR 24 45.921 -4.723 0.425 184 HE2 TYR 24 HE2 TYR 24 49.017 -2.254 2.143 185 HH TYR 24 HH TYR 24 48.689 -4.706 0.144 186 H LEU 25 HN LEU 25 43.598 1.243 3.204 187 HA LEU 25 HA LEU 25 41.828 2.448 4.049 188 HB2 LEU 25 HB2 LEU 25 41.640 3.679 1.297 189 HB3 LEU 25 HB1 LEU 25 41.307 4.431 2.856 190 HG LEU 25 HG LEU 25 44.024 3.532 1.847 191 HD11 LEU 25 HD11 LEU 25 42.847 6.278 2.380 192 HD12 LEU 25 HD12 LEU 25 43.208 5.595 0.795 193 HD13 LEU 25 HD13 LEU 25 44.519 5.962 1.916 194 HD21 LEU 25 HD21 LEU 25 44.048 3.204 4.210 195 HD22 LEU 25 HD22 LEU 25 43.092 4.657 4.503 196 HD23 LEU 25 HD23 LEU 25 44.768 4.794 3.971 Start of MODEL 38 1 H1 GLY 1 HT1 GLY 1 46.758 14.595 10.278 2 H2 GLY 1 HT2 GLY 1 45.878 15.340 9.030 3 H3 GLY 1 HT3 GLY 1 47.433 14.723 8.729 4 HA2 GLY 1 HA1 GLY 1 45.967 13.203 7.826 5 HA3 GLY 1 HA2 GLY 1 46.577 12.508 9.321 6 H TRP 2 HN TRP 2 44.027 14.875 8.539 7 HA TRP 2 HA TRP 2 41.889 13.139 9.268 8 HB2 TRP 2 HB2 TRP 2 42.807 13.514 11.526 9 HB3 TRP 2 HB1 TRP 2 42.650 15.256 11.297 10 HD1 TRP 2 HD1 TRP 2 40.268 12.230 10.814 11 HE1 TRP 2 HE1 TRP 2 37.979 12.847 11.832 12 HE3 TRP 2 HE3 TRP 2 41.297 16.961 12.478 13 HZ2 TRP 2 HZ2 TRP 2 36.736 15.060 13.181 14 HZ3 TRP 2 HZ3 TRP 2 39.546 18.306 13.628 15 HH2 TRP 2 HH2 TRP 2 37.269 17.360 13.980 16 H GLY 3 HN GLY 3 42.077 14.508 7.028 17 HA2 GLY 3 HA1 GLY 3 40.759 15.848 5.695 18 HA3 GLY 3 HA2 GLY 3 39.839 16.303 7.123 19 H SER 4 HN SER 4 42.840 16.878 8.100 20 HA SER 4 HA SER 4 42.672 19.660 8.060 21 HB2 SER 4 HB2 SER 4 45.137 17.913 8.241 22 HB3 SER 4 HB1 SER 4 45.084 19.630 8.632 23 HG SER 4 HG SER 4 43.387 17.687 9.812 24 H PHE 5 HN PHE 5 44.446 17.481 5.879 25 HA PHE 5 HA PHE 5 45.659 19.453 4.285 26 HB2 PHE 5 HB2 PHE 5 44.766 16.646 3.590 27 HB3 PHE 5 HB1 PHE 5 45.779 17.651 2.553 28 HD1 PHE 5 HD1 PHE 5 48.063 18.324 3.267 29 HD2 PHE 5 HD2 PHE 5 45.641 15.637 5.625 30 HE1 PHE 5 HE1 PHE 5 50.080 17.637 4.559 31 HE2 PHE 5 HE2 PHE 5 47.659 14.953 6.916 32 HZ PHE 5 HZ PHE 5 49.892 15.888 6.324 33 H PHE 6 HN PHE 6 44.913 20.775 2.739 34 HA PHE 6 HA PHE 6 42.643 20.170 1.107 35 HB2 PHE 6 HB2 PHE 6 41.573 20.848 3.302 36 HB3 PHE 6 HB1 PHE 6 42.270 22.450 3.061 37 HD1 PHE 6 HD1 PHE 6 41.491 23.921 1.253 38 HD2 PHE 6 HD2 PHE 6 39.785 20.002 1.846 39 HE1 PHE 6 HE1 PHE 6 39.597 24.516 -0.255 40 HE2 PHE 6 HE2 PHE 6 37.892 20.597 0.339 41 HZ PHE 6 HZ PHE 6 37.852 22.819 -0.786 42 H ARG 7 HN ARG 7 44.906 22.555 2.370 43 HA ARG 7 HA ARG 7 44.642 24.563 0.452 44 HB2 ARG 7 HB2 ARG 7 47.222 23.642 1.736 45 HB3 ARG 7 HB1 ARG 7 46.895 25.234 1.056 46 HG2 ARG 7 HG2 ARG 7 45.377 24.019 3.388 47 HG3 ARG 7 HG1 ARG 7 46.701 25.169 3.555 48 HD2 ARG 7 HD2 ARG 7 44.839 26.589 3.640 49 HD3 ARG 7 HD1 ARG 7 45.231 26.653 1.922 50 HE ARG 7 HE ARG 7 43.337 24.529 2.600 51 HH11 ARG 7 HH11 ARG 7 42.845 25.462 0.036 52 HH12 ARG 7 HH12 ARG 7 41.668 26.725 0.185 53 HH21 ARG 7 HH21 ARG 7 42.221 27.198 3.576 54 HH22 ARG 7 HH22 ARG 7 41.314 27.706 2.190 55 H ARG 8 HN ARG 8 46.429 21.522 0.338 56 HA ARG 8 HA ARG 8 47.540 20.457 -1.368 57 HB2 ARG 8 HB2 ARG 8 45.124 20.607 -2.211 58 HB3 ARG 8 HB1 ARG 8 45.666 21.949 -3.215 59 HG2 ARG 8 HG2 ARG 8 47.341 20.505 -4.286 60 HG3 ARG 8 HG1 ARG 8 46.867 19.162 -3.244 61 HD2 ARG 8 HD2 ARG 8 45.745 18.869 -5.362 62 HD3 ARG 8 HD1 ARG 8 44.532 19.367 -4.182 63 HE ARG 8 HE ARG 8 45.661 21.645 -5.573 64 HH11 ARG 8 HH11 ARG 8 44.525 19.205 -7.324 65 HH12 ARG 8 HH12 ARG 8 43.007 19.906 -7.773 66 HH21 ARG 8 HH21 ARG 8 43.221 22.494 -5.476 67 HH22 ARG 8 HH22 ARG 8 42.269 21.768 -6.727 68 H ALA 9 HN ALA 9 49.090 22.404 -0.559 69 HA ALA 9 HA ALA 9 49.717 24.345 -2.605 70 HB1 ALA 9 HB1 ALA 9 50.069 24.710 -0.151 71 HB2 ALA 9 HB2 ALA 9 51.493 25.026 -1.141 72 HB3 ALA 9 HB3 ALA 9 51.375 23.529 -0.218 73 H ALA 10 HN ALA 10 51.231 21.380 -1.355 74 HA ALA 10 HA ALA 10 52.270 20.662 -3.913 75 HB1 ALA 10 HB1 ALA 10 54.273 21.612 -1.859 76 HB2 ALA 10 HB2 ALA 10 53.850 22.471 -3.341 77 HB3 ALA 10 HB3 ALA 10 54.645 20.898 -3.427 78 H HIS 11 HN HIS 11 51.513 20.106 -0.698 79 HA HIS 11 HA HIS 11 53.059 17.774 -0.168 80 HB2 HIS 11 HB2 HIS 11 51.905 19.142 1.578 81 HB3 HIS 11 HB1 HIS 11 50.363 18.524 0.985 82 HD1 HIS 11 HD1 HIS 11 49.727 16.124 1.594 83 HD2 HIS 11 HD2 HIS 11 53.542 17.179 2.897 84 HE1 HIS 11 HE1 HIS 11 50.516 14.245 3.099 85 H VAL 12 HN VAL 12 49.607 18.130 -1.009 86 HA VAL 12 HA VAL 12 48.138 16.714 -2.057 87 HB VAL 12 HB VAL 12 50.626 15.595 -3.387 88 HG11 VAL 12 HG11 VAL 12 47.676 15.540 -4.078 89 HG12 VAL 12 HG12 VAL 12 48.718 14.158 -3.740 90 HG13 VAL 12 HG13 VAL 12 48.952 15.099 -5.213 91 HG21 VAL 12 HG21 VAL 12 50.095 17.223 -5.182 92 HG22 VAL 12 HG22 VAL 12 50.464 18.039 -3.662 93 HG23 VAL 12 HG23 VAL 12 48.790 17.876 -4.192 94 H GLY 13 HN GLY 13 50.881 14.463 -1.987 95 HA2 GLY 13 HA1 GLY 13 50.150 13.039 0.316 96 HA3 GLY 13 HA2 GLY 13 49.362 12.291 -1.066 97 H ARG 14 HN ARG 14 52.441 13.877 -1.406 98 HA ARG 14 HA ARG 14 53.691 11.648 -2.583 99 HB2 ARG 14 HB2 ARG 14 55.064 13.975 -1.221 100 HB3 ARG 14 HB1 ARG 14 55.727 12.939 -2.485 101 HG2 ARG 14 HG2 ARG 14 53.922 13.713 -4.020 102 HG3 ARG 14 HG1 ARG 14 53.365 14.819 -2.765 103 HD2 ARG 14 HD2 ARG 14 55.454 16.027 -2.800 104 HD3 ARG 14 HD1 ARG 14 56.186 14.829 -3.867 105 HE ARG 14 HE ARG 14 54.459 17.010 -4.697 106 HH11 ARG 14 HH11 ARG 14 52.730 15.267 -5.943 107 HH12 ARG 14 HH12 ARG 14 53.541 14.674 -7.354 108 HH21 ARG 14 HH21 ARG 14 56.695 15.603 -6.254 109 HH22 ARG 14 HH22 ARG 14 55.787 14.863 -7.529 110 H HIS 15 HN HIS 15 56.241 11.893 -1.087 111 HA HIS 15 HA HIS 15 57.373 10.667 0.490 112 HB2 HIS 15 HB2 HIS 15 56.385 12.352 1.979 113 HB3 HIS 15 HB1 HIS 15 54.937 11.360 2.153 114 HD1 HIS 15 HD1 HIS 15 57.789 9.173 1.957 115 HD2 HIS 15 HD2 HIS 15 56.061 11.443 4.995 116 HE1 HIS 15 HE1 HIS 15 58.636 8.209 4.141 117 H VAL 16 HN VAL 16 54.210 9.750 1.758 118 HA VAL 16 HA VAL 16 54.880 6.953 1.586 119 HB VAL 16 HB VAL 16 52.528 6.635 2.466 120 HG11 VAL 16 HG11 VAL 16 54.382 6.786 4.022 121 HG12 VAL 16 HG12 VAL 16 53.040 7.727 4.672 122 HG13 VAL 16 HG13 VAL 16 54.397 8.545 3.898 123 HG21 VAL 16 HG21 VAL 16 52.572 9.669 2.583 124 HG22 VAL 16 HG22 VAL 16 51.274 8.611 3.137 125 HG23 VAL 16 HG23 VAL 16 51.635 8.738 1.415 126 H GLY 17 HN GLY 17 53.503 9.208 -0.534 127 HA2 GLY 17 HA1 GLY 17 51.666 7.515 -1.905 128 HA3 GLY 17 HA2 GLY 17 52.321 9.037 -2.495 129 H ARG 18 HN ARG 18 54.903 8.711 -2.818 130 HA ARG 18 HA ARG 18 55.171 7.151 -5.137 131 HB2 ARG 18 HB2 ARG 18 56.623 9.097 -4.469 132 HB3 ARG 18 HB1 ARG 18 57.420 8.028 -3.315 133 HG2 ARG 18 HG2 ARG 18 58.100 6.525 -5.117 134 HG3 ARG 18 HG1 ARG 18 57.225 7.507 -6.294 135 HD2 ARG 18 HD2 ARG 18 58.686 9.459 -5.606 136 HD3 ARG 18 HD1 ARG 18 59.651 8.315 -4.672 137 HE ARG 18 HE ARG 18 59.401 7.333 -7.341 138 HH11 ARG 18 HH11 ARG 18 60.052 10.490 -6.964 139 HH12 ARG 18 HH12 ARG 18 61.730 10.433 -7.389 140 HH21 ARG 18 HH21 ARG 18 61.916 6.973 -7.261 141 HH22 ARG 18 HH22 ARG 18 62.785 8.442 -7.557 142 H ALA 19 HN ALA 19 56.312 6.538 -1.818 143 HA ALA 19 HA ALA 19 57.527 4.058 -2.292 144 HB1 ALA 19 HB1 ALA 19 57.171 3.668 0.139 145 HB2 ALA 19 HB2 ALA 19 56.156 5.110 0.186 146 HB3 ALA 19 HB3 ALA 19 57.867 5.248 -0.216 147 H ALA 20 HN ALA 20 56.731 2.126 -2.804 148 HA ALA 20 HA ALA 20 54.266 1.112 -1.785 149 HB1 ALA 20 HB1 ALA 20 53.447 2.706 -3.536 150 HB2 ALA 20 HB2 ALA 20 52.976 1.029 -3.810 151 HB3 ALA 20 HB3 ALA 20 54.298 1.736 -4.739 152 H LEU 21 HN LEU 21 56.920 0.220 -1.804 153 HA LEU 21 HA LEU 21 57.357 -1.711 -3.881 154 HB2 LEU 21 HB2 LEU 21 58.645 -1.753 -1.148 155 HB3 LEU 21 HB1 LEU 21 59.308 -2.319 -2.681 156 HG LEU 21 HG LEU 21 58.730 0.570 -1.951 157 HD11 LEU 21 HD11 LEU 21 60.720 -0.535 -0.855 158 HD12 LEU 21 HD12 LEU 21 61.125 0.838 -1.887 159 HD13 LEU 21 HD13 LEU 21 61.378 -0.807 -2.469 160 HD21 LEU 21 HD21 LEU 21 59.742 -0.754 -4.483 161 HD22 LEU 21 HD22 LEU 21 60.037 0.950 -4.134 162 HD23 LEU 21 HD23 LEU 21 58.387 0.361 -4.308 163 H THR 22 HN THR 22 56.111 -1.824 -0.569 164 HA THR 22 HA THR 22 55.792 -4.683 -0.547 165 HB THR 22 HB THR 22 54.477 -2.632 1.260 166 HG1 THR 22 HG1 THR 22 56.664 -2.394 1.432 167 HG21 THR 22 HG21 THR 22 54.471 -4.596 2.839 168 HG22 THR 22 HG22 THR 22 54.983 -5.608 1.489 169 HG23 THR 22 HG23 THR 22 53.420 -4.794 1.438 170 H HIS 23 HN HIS 23 54.552 -5.198 -2.374 171 HA HIS 23 HA HIS 23 52.159 -3.998 -3.169 172 HB2 HIS 23 HB2 HIS 23 51.657 -6.218 -4.231 173 HB3 HIS 23 HB1 HIS 23 53.260 -5.587 -4.611 174 HD1 HIS 23 HD1 HIS 23 55.309 -6.731 -3.449 175 HD2 HIS 23 HD2 HIS 23 51.658 -8.614 -2.753 176 HE1 HIS 23 HE1 HIS 23 55.848 -8.983 -2.423 177 H TYR 24 HN TYR 24 50.150 -5.812 -3.209 178 HA TYR 24 HA TYR 24 49.578 -7.000 -0.681 179 HB2 TYR 24 HB2 TYR 24 47.780 -5.441 0.012 180 HB3 TYR 24 HB1 TYR 24 49.371 -4.681 0.049 181 HD1 TYR 24 HD1 TYR 24 50.047 -3.049 -1.685 182 HD2 TYR 24 HD2 TYR 24 46.098 -4.791 -1.633 183 HE1 TYR 24 HE1 TYR 24 49.255 -1.301 -3.274 184 HE2 TYR 24 HE2 TYR 24 45.306 -3.042 -3.221 185 HH TYR 24 HH TYR 24 45.918 -0.850 -4.045 186 H LEU 25 HN LEU 25 47.503 -8.020 -0.638 187 HA LEU 25 HA LEU 25 45.657 -7.778 -2.806 188 HB2 LEU 25 HB2 LEU 25 47.314 -8.958 -4.085 189 HB3 LEU 25 HB1 LEU 25 47.575 -10.120 -2.790 190 HG LEU 25 HG LEU 25 45.390 -11.095 -3.118 191 HD11 LEU 25 HD11 LEU 25 43.971 -9.237 -3.554 192 HD12 LEU 25 HD12 LEU 25 43.951 -10.166 -5.051 193 HD13 LEU 25 HD13 LEU 25 44.942 -8.711 -4.930 194 HD21 LEU 25 HD21 LEU 25 45.624 -11.957 -5.370 195 HD22 LEU 25 HD22 LEU 25 47.241 -11.713 -4.709 196 HD23 LEU 25 HD23 LEU 25 46.573 -10.554 -5.858 Start of MODEL 39 1 H1 GLY 1 HT1 GLY 1 54.687 29.326 2.940 2 H2 GLY 1 HT2 GLY 1 53.041 29.717 3.094 3 H3 GLY 1 HT3 GLY 1 53.815 29.855 1.588 4 HA2 GLY 1 HA1 GLY 1 52.819 27.916 1.254 5 HA3 GLY 1 HA2 GLY 1 54.310 27.361 2.002 6 H TRP 2 HN TRP 2 50.918 27.474 2.221 7 HA TRP 2 HA TRP 2 50.669 26.967 5.037 8 HB2 TRP 2 HB2 TRP 2 48.707 26.414 2.798 9 HB3 TRP 2 HB1 TRP 2 48.335 26.467 4.521 10 HD1 TRP 2 HD1 TRP 2 48.678 28.630 1.511 11 HE1 TRP 2 HE1 TRP 2 48.390 31.110 2.155 12 HE3 TRP 2 HE3 TRP 2 48.892 28.235 6.611 13 HZ2 TRP 2 HZ2 TRP 2 48.263 32.728 4.527 14 HZ3 TRP 2 HZ3 TRP 2 48.685 30.262 8.043 15 HH2 TRP 2 HH2 TRP 2 48.371 32.505 7.007 16 H GLY 3 HN GLY 3 52.411 25.274 5.002 17 HA2 GLY 3 HA1 GLY 3 52.935 23.070 5.382 18 HA3 GLY 3 HA2 GLY 3 51.229 22.691 5.179 19 H SER 4 HN SER 4 51.791 24.301 2.483 20 HA SER 4 HA SER 4 51.990 23.664 0.283 21 HB2 SER 4 HB2 SER 4 54.382 23.701 0.983 22 HB3 SER 4 HB1 SER 4 54.263 21.986 1.367 23 HG SER 4 HG SER 4 54.712 21.723 -0.668 24 H PHE 5 HN PHE 5 49.887 22.450 0.955 25 HA PHE 5 HA PHE 5 50.018 19.587 1.118 26 HB2 PHE 5 HB2 PHE 5 47.546 19.737 0.734 27 HB3 PHE 5 HB1 PHE 5 48.115 20.726 2.080 28 HD1 PHE 5 HD1 PHE 5 48.016 23.147 2.003 29 HD2 PHE 5 HD2 PHE 5 46.993 20.789 -1.466 30 HE1 PHE 5 HE1 PHE 5 47.077 25.175 0.901 31 HE2 PHE 5 HE2 PHE 5 46.055 22.817 -2.567 32 HZ PHE 5 HZ PHE 5 46.149 25.020 -1.407 33 H PHE 6 HN PHE 6 48.389 18.455 -0.579 34 HA PHE 6 HA PHE 6 48.774 19.337 -3.318 35 HB2 PHE 6 HB2 PHE 6 50.119 16.810 -2.323 36 HB3 PHE 6 HB1 PHE 6 49.986 17.299 -4.012 37 HD1 PHE 6 HD1 PHE 6 51.853 17.694 -0.925 38 HD2 PHE 6 HD2 PHE 6 51.006 19.526 -4.742 39 HE1 PHE 6 HE1 PHE 6 53.889 19.112 -0.697 40 HE2 PHE 6 HE2 PHE 6 53.040 20.946 -4.511 41 HZ PHE 6 HZ PHE 6 54.442 20.787 -2.456 42 H ARG 7 HN ARG 7 48.074 16.433 -1.357 43 HA ARG 7 HA ARG 7 46.092 15.473 -3.208 44 HB2 ARG 7 HB2 ARG 7 46.579 14.624 -0.345 45 HB3 ARG 7 HB1 ARG 7 45.722 13.714 -1.589 46 HG2 ARG 7 HG2 ARG 7 47.816 13.679 -2.949 47 HG3 ARG 7 HG1 ARG 7 48.656 14.474 -1.617 48 HD2 ARG 7 HD2 ARG 7 48.044 12.580 -0.130 49 HD3 ARG 7 HD1 ARG 7 47.277 11.775 -1.499 50 HE ARG 7 HE ARG 7 49.995 12.446 -2.154 51 HH11 ARG 7 HH11 ARG 7 48.066 10.373 -0.187 52 HH12 ARG 7 HH12 ARG 7 49.195 9.060 -0.232 53 HH21 ARG 7 HH21 ARG 7 51.458 10.727 -2.261 54 HH22 ARG 7 HH22 ARG 7 51.115 9.260 -1.407 55 H ARG 8 HN ARG 8 45.972 16.920 0.051 56 HA ARG 8 HA ARG 8 43.422 18.166 -0.531 57 HB2 ARG 8 HB2 ARG 8 42.786 15.835 0.127 58 HB3 ARG 8 HB1 ARG 8 43.554 16.114 1.690 59 HG2 ARG 8 HG2 ARG 8 42.038 17.976 2.144 60 HG3 ARG 8 HG1 ARG 8 41.308 17.800 0.549 61 HD2 ARG 8 HD2 ARG 8 40.696 15.428 1.203 62 HD3 ARG 8 HD1 ARG 8 41.206 15.828 2.844 63 HE ARG 8 HE ARG 8 39.293 17.751 1.817 64 HH11 ARG 8 HH11 ARG 8 39.185 17.007 4.626 65 HH12 ARG 8 HH12 ARG 8 37.847 15.912 4.712 66 HH21 ARG 8 HH21 ARG 8 37.778 15.306 1.299 67 HH22 ARG 8 HH22 ARG 8 37.049 14.950 2.829 68 H ALA 9 HN ALA 9 44.842 17.097 2.547 69 HA ALA 9 HA ALA 9 46.129 19.558 3.144 70 HB1 ALA 9 HB1 ALA 9 43.381 19.135 4.324 71 HB2 ALA 9 HB2 ALA 9 43.903 20.467 3.292 72 HB3 ALA 9 HB3 ALA 9 44.551 20.310 4.925 73 H ALA 10 HN ALA 10 44.731 16.529 4.129 74 HA ALA 10 HA ALA 10 46.967 15.969 5.859 75 HB1 ALA 10 HB1 ALA 10 45.637 15.613 7.893 76 HB2 ALA 10 HB2 ALA 10 44.211 16.246 7.071 77 HB3 ALA 10 HB3 ALA 10 45.591 17.300 7.385 78 H HIS 11 HN HIS 11 47.011 14.347 4.133 79 HA HIS 11 HA HIS 11 46.652 12.230 3.316 80 HB2 HIS 11 HB2 HIS 11 45.493 11.745 6.071 81 HB3 HIS 11 HB1 HIS 11 46.092 10.520 4.952 82 HD1 HIS 11 HD1 HIS 11 47.429 10.743 7.695 83 HD2 HIS 11 HD2 HIS 11 48.731 12.907 4.380 84 HE1 HIS 11 HE1 HIS 11 49.856 11.323 8.126 85 H VAL 12 HN VAL 12 45.168 12.279 1.726 86 HA VAL 12 HA VAL 12 42.522 13.069 1.850 87 HB VAL 12 HB VAL 12 43.735 12.591 -0.271 88 HG11 VAL 12 HG11 VAL 12 44.728 10.422 0.599 89 HG12 VAL 12 HG12 VAL 12 44.069 10.340 -1.034 90 HG13 VAL 12 HG13 VAL 12 43.156 9.676 0.320 91 HG21 VAL 12 HG21 VAL 12 41.815 11.708 -1.467 92 HG22 VAL 12 HG22 VAL 12 41.223 12.711 -0.143 93 HG23 VAL 12 HG23 VAL 12 41.192 10.953 -0.001 94 H GLY 13 HN GLY 13 43.965 10.134 2.983 95 HA2 GLY 13 HA1 GLY 13 41.774 9.353 4.519 96 HA3 GLY 13 HA2 GLY 13 41.687 8.467 3.003 97 H ARG 14 HN ARG 14 44.858 8.987 3.349 98 HA ARG 14 HA ARG 14 46.626 7.617 3.876 99 HB2 ARG 14 HB2 ARG 14 46.103 8.423 6.134 100 HB3 ARG 14 HB1 ARG 14 44.930 7.122 6.335 101 HG2 ARG 14 HG2 ARG 14 46.642 5.441 6.230 102 HG3 ARG 14 HG1 ARG 14 47.850 6.617 5.709 103 HD2 ARG 14 HD2 ARG 14 47.837 7.704 7.849 104 HD3 ARG 14 HD1 ARG 14 46.414 6.801 8.370 105 HE ARG 14 HE ARG 14 49.138 5.863 8.520 106 HH11 ARG 14 HH11 ARG 14 49.474 3.560 8.176 107 HH12 ARG 14 HH12 ARG 14 48.137 2.516 8.523 108 HH21 ARG 14 HH21 ARG 14 45.854 5.106 8.841 109 HH22 ARG 14 HH22 ARG 14 46.087 3.391 8.900 110 H HIS 15 HN HIS 15 46.524 6.053 2.299 111 HA HIS 15 HA HIS 15 44.699 3.826 2.450 112 HB2 HIS 15 HB2 HIS 15 47.162 4.223 0.731 113 HB3 HIS 15 HB1 HIS 15 45.929 2.982 0.501 114 HD1 HIS 15 HD1 HIS 15 43.876 3.633 -0.803 115 HD2 HIS 15 HD2 HIS 15 46.049 6.966 0.435 116 HE1 HIS 15 HE1 HIS 15 42.820 5.637 -1.934 117 H VAL 16 HN VAL 16 45.436 3.376 4.753 118 HA VAL 16 HA VAL 16 46.559 2.061 6.266 119 HB VAL 16 HB VAL 16 47.342 0.369 3.874 120 HG11 VAL 16 HG11 VAL 16 48.298 -0.182 6.127 121 HG12 VAL 16 HG12 VAL 16 47.255 -1.452 5.486 122 HG13 VAL 16 HG13 VAL 16 46.653 -0.363 6.736 123 HG21 VAL 16 HG21 VAL 16 44.719 0.482 5.397 124 HG22 VAL 16 HG22 VAL 16 45.163 -0.801 4.271 125 HG23 VAL 16 HG23 VAL 16 44.959 0.852 3.689 126 H GLY 17 HN GLY 17 48.044 4.076 6.158 127 HA2 GLY 17 HA1 GLY 17 50.216 4.721 6.616 128 HA3 GLY 17 HA2 GLY 17 50.766 3.117 6.150 129 H ARG 18 HN ARG 18 48.802 5.277 4.176 130 HA ARG 18 HA ARG 18 49.159 6.169 2.091 131 HB2 ARG 18 HB2 ARG 18 52.039 6.430 2.967 132 HB3 ARG 18 HB1 ARG 18 51.175 7.422 1.791 133 HG2 ARG 18 HG2 ARG 18 49.603 8.090 3.669 134 HG3 ARG 18 HG1 ARG 18 50.718 7.298 4.783 135 HD2 ARG 18 HD2 ARG 18 51.330 9.618 4.744 136 HD3 ARG 18 HD1 ARG 18 52.555 8.762 3.807 137 HE ARG 18 HE ARG 18 50.560 9.574 1.982 138 HH11 ARG 18 HH11 ARG 18 53.591 10.402 2.986 139 HH12 ARG 18 HH12 ARG 18 53.480 12.089 2.607 140 HH21 ARG 18 HH21 ARG 18 50.067 11.995 2.002 141 HH22 ARG 18 HH22 ARG 18 51.483 12.990 2.050 142 H ALA 19 HN ALA 19 49.081 3.458 2.015 143 HA ALA 19 HA ALA 19 51.335 2.165 0.922 144 HB1 ALA 19 HB1 ALA 19 48.390 1.601 0.551 145 HB2 ALA 19 HB2 ALA 19 49.448 0.908 1.780 146 HB3 ALA 19 HB3 ALA 19 49.692 0.509 0.080 147 H ALA 20 HN ALA 20 51.616 1.438 -1.311 148 HA ALA 20 HA ALA 20 50.265 2.835 -3.446 149 HB1 ALA 20 HB1 ALA 20 52.142 4.102 -4.253 150 HB2 ALA 20 HB2 ALA 20 53.185 3.456 -2.987 151 HB3 ALA 20 HB3 ALA 20 51.865 4.549 -2.571 152 H LEU 21 HN LEU 21 52.145 0.360 -2.193 153 HA LEU 21 HA LEU 21 53.165 -1.500 -3.095 154 HB2 LEU 21 HB2 LEU 21 51.274 -1.107 -5.419 155 HB3 LEU 21 HB1 LEU 21 51.900 -2.620 -4.763 156 HG LEU 21 HG LEU 21 50.004 -0.720 -3.347 157 HD11 LEU 21 HD11 LEU 21 49.064 -2.086 -5.249 158 HD12 LEU 21 HD12 LEU 21 48.335 -2.432 -3.682 159 HD13 LEU 21 HD13 LEU 21 49.531 -3.536 -4.360 160 HD21 LEU 21 HD21 LEU 21 49.868 -2.738 -1.740 161 HD22 LEU 21 HD22 LEU 21 51.328 -1.756 -1.653 162 HD23 LEU 21 HD23 LEU 21 51.354 -3.301 -2.506 163 H THR 22 HN THR 22 55.232 -0.880 -3.570 164 HA THR 22 HA THR 22 55.939 -0.683 -6.349 165 HB THR 22 HB THR 22 55.436 1.655 -6.133 166 HG1 THR 22 HG1 THR 22 57.518 2.530 -6.352 167 HG21 THR 22 HG21 THR 22 56.524 2.990 -4.272 168 HG22 THR 22 HG22 THR 22 56.946 1.451 -3.520 169 HG23 THR 22 HG23 THR 22 55.252 1.886 -3.752 170 H HIS 23 HN HIS 23 58.305 -0.594 -6.639 171 HA HIS 23 HA HIS 23 60.077 -0.850 -4.425 172 HB2 HIS 23 HB2 HIS 23 60.640 -3.312 -4.936 173 HB3 HIS 23 HB1 HIS 23 59.172 -2.996 -4.014 174 HD1 HIS 23 HD1 HIS 23 57.746 -4.931 -4.814 175 HD2 HIS 23 HD2 HIS 23 59.363 -2.744 -7.975 176 HE1 HIS 23 HE1 HIS 23 56.635 -5.787 -6.923 177 H TYR 24 HN TYR 24 59.843 0.506 -7.003 178 HA TYR 24 HA TYR 24 61.127 1.057 -8.830 179 HB2 TYR 24 HB2 TYR 24 63.277 -0.218 -7.120 180 HB3 TYR 24 HB1 TYR 24 63.567 0.811 -8.523 181 HD1 TYR 24 HD1 TYR 24 62.533 0.710 -4.998 182 HD2 TYR 24 HD2 TYR 24 62.946 3.218 -8.486 183 HE1 TYR 24 HE1 TYR 24 62.309 2.737 -3.567 184 HE2 TYR 24 HE2 TYR 24 62.721 5.245 -7.055 185 HH TYR 24 HH TYR 24 62.966 5.287 -3.772 186 H LEU 25 HN LEU 25 60.450 -0.117 -10.546 187 HA LEU 25 HA LEU 25 62.071 -2.335 -11.415 188 HB2 LEU 25 HB2 LEU 25 60.634 -3.619 -9.981 189 HB3 LEU 25 HB1 LEU 25 59.199 -2.788 -10.569 190 HG LEU 25 HG LEU 25 59.381 -3.837 -12.736 191 HD11 LEU 25 HD11 LEU 25 62.088 -4.743 -11.728 192 HD12 LEU 25 HD12 LEU 25 61.716 -3.836 -13.194 193 HD13 LEU 25 HD13 LEU 25 61.288 -5.540 -13.084 194 HD21 LEU 25 HD21 LEU 25 59.067 -6.155 -12.137 195 HD22 LEU 25 HD22 LEU 25 58.452 -5.176 -10.804 196 HD23 LEU 25 HD23 LEU 25 60.028 -5.959 -10.670 Start of MODEL 40 1 H1 GLY 1 HT1 GLY 1 55.644 18.569 1.302 2 H2 GLY 1 HT2 GLY 1 54.345 19.518 0.754 3 H3 GLY 1 HT3 GLY 1 54.062 18.188 1.775 4 HA2 GLY 1 HA1 GLY 1 55.900 20.064 2.851 5 HA3 GLY 1 HA2 GLY 1 54.307 20.740 2.537 6 H TRP 2 HN TRP 2 54.007 20.962 4.808 7 HA TRP 2 HA TRP 2 52.781 18.632 6.017 8 HB2 TRP 2 HB2 TRP 2 55.266 19.874 7.222 9 HB3 TRP 2 HB1 TRP 2 54.174 18.802 8.096 10 HD1 TRP 2 HD1 TRP 2 56.941 18.820 5.549 11 HE1 TRP 2 HE1 TRP 2 57.529 16.399 4.885 12 HE3 TRP 2 HE3 TRP 2 53.060 16.337 7.783 13 HZ2 TRP 2 HZ2 TRP 2 56.492 13.743 5.249 14 HZ3 TRP 2 HZ3 TRP 2 52.881 13.859 7.612 15 HH2 TRP 2 HH2 TRP 2 54.591 12.562 6.348 16 H GLY 3 HN GLY 3 54.086 21.876 6.734 17 HA2 GLY 3 HA1 GLY 3 51.968 22.486 8.584 18 HA3 GLY 3 HA2 GLY 3 53.212 23.590 8.009 19 H SER 4 HN SER 4 51.384 21.848 5.660 20 HA SER 4 HA SER 4 49.325 23.851 5.324 21 HB2 SER 4 HB2 SER 4 51.572 23.647 3.304 22 HB3 SER 4 HB1 SER 4 50.063 24.521 3.050 23 HG SER 4 HG SER 4 50.608 25.905 4.693 24 H PHE 5 HN PHE 5 47.629 22.621 4.863 25 HA PHE 5 HA PHE 5 47.545 20.947 2.556 26 HB2 PHE 5 HB2 PHE 5 47.180 18.796 3.687 27 HB3 PHE 5 HB1 PHE 5 48.792 19.423 4.032 28 HD1 PHE 5 HD1 PHE 5 49.305 20.476 6.232 29 HD2 PHE 5 HD2 PHE 5 45.497 18.611 5.429 30 HE1 PHE 5 HE1 PHE 5 48.812 20.430 8.674 31 HE2 PHE 5 HE2 PHE 5 45.004 18.564 7.871 32 HZ PHE 5 HZ PHE 5 46.692 19.413 9.497 33 H PHE 6 HN PHE 6 45.454 20.478 1.967 34 HA PHE 6 HA PHE 6 43.255 20.729 3.849 35 HB2 PHE 6 HB2 PHE 6 43.438 22.669 1.531 36 HB3 PHE 6 HB1 PHE 6 42.153 22.572 2.734 37 HD1 PHE 6 HD1 PHE 6 45.578 23.706 2.043 38 HD2 PHE 6 HD2 PHE 6 42.568 23.229 5.098 39 HE1 PHE 6 HE1 PHE 6 46.857 25.233 3.541 40 HE2 PHE 6 HE2 PHE 6 43.846 24.754 6.596 41 HZ PHE 6 HZ PHE 6 46.027 25.698 5.844 42 H ARG 7 HN ARG 7 43.859 18.474 2.605 43 HA ARG 7 HA ARG 7 43.126 16.857 1.139 44 HB2 ARG 7 HB2 ARG 7 40.622 18.559 1.115 45 HB3 ARG 7 HB1 ARG 7 40.734 16.847 0.706 46 HG2 ARG 7 HG2 ARG 7 41.471 16.334 2.999 47 HG3 ARG 7 HG1 ARG 7 41.384 18.046 3.415 48 HD2 ARG 7 HD2 ARG 7 38.963 18.039 2.863 49 HD3 ARG 7 HD1 ARG 7 39.062 16.313 2.520 50 HE ARG 7 HE ARG 7 40.060 16.874 5.166 51 HH11 ARG 7 HH11 ARG 7 38.682 16.532 6.933 52 HH12 ARG 7 HH12 ARG 7 37.024 16.119 6.649 53 HH21 ARG 7 HH21 ARG 7 37.277 16.375 3.200 54 HH22 ARG 7 HH22 ARG 7 36.228 16.030 4.535 55 H ARG 8 HN ARG 8 44.787 18.332 -0.223 56 HA ARG 8 HA ARG 8 43.753 18.308 -2.898 57 HB2 ARG 8 HB2 ARG 8 44.154 20.704 -3.381 58 HB3 ARG 8 HB1 ARG 8 42.851 20.474 -2.214 59 HG2 ARG 8 HG2 ARG 8 44.515 20.841 -0.372 60 HG3 ARG 8 HG1 ARG 8 45.720 21.235 -1.598 61 HD2 ARG 8 HD2 ARG 8 44.192 23.035 -2.440 62 HD3 ARG 8 HD1 ARG 8 43.114 22.697 -1.086 63 HE ARG 8 HE ARG 8 44.597 23.901 0.288 64 HH11 ARG 8 HH11 ARG 8 45.672 24.767 -2.575 65 HH12 ARG 8 HH12 ARG 8 47.371 24.708 -2.250 66 HH21 ARG 8 HH21 ARG 8 47.010 22.968 0.727 67 HH22 ARG 8 HH22 ARG 8 48.130 23.690 -0.380 68 H ALA 9 HN ALA 9 46.302 19.221 -0.646 69 HA ALA 9 HA ALA 9 48.402 19.567 -2.477 70 HB1 ALA 9 HB1 ALA 9 49.871 19.003 -0.535 71 HB2 ALA 9 HB2 ALA 9 48.422 18.579 0.376 72 HB3 ALA 9 HB3 ALA 9 48.662 20.234 -0.180 73 H ALA 10 HN ALA 10 49.033 16.954 -0.327 74 HA ALA 10 HA ALA 10 48.518 14.792 -2.110 75 HB1 ALA 10 HB1 ALA 10 51.373 15.769 -1.934 76 HB2 ALA 10 HB2 ALA 10 50.350 15.802 -3.371 77 HB3 ALA 10 HB3 ALA 10 50.853 14.259 -2.682 78 H HIS 11 HN HIS 11 47.640 14.183 -0.017 79 HA HIS 11 HA HIS 11 49.464 12.512 1.456 80 HB2 HIS 11 HB2 HIS 11 49.902 14.729 2.494 81 HB3 HIS 11 HB1 HIS 11 48.194 14.841 2.915 82 HD1 HIS 11 HD1 HIS 11 47.902 14.260 5.315 83 HD2 HIS 11 HD2 HIS 11 50.737 11.813 3.489 84 HE1 HIS 11 HE1 HIS 11 48.685 12.627 7.085 85 H VAL 12 HN VAL 12 46.377 14.222 2.032 86 HA VAL 12 HA VAL 12 45.131 11.900 3.157 87 HB VAL 12 HB VAL 12 43.776 14.393 2.086 88 HG11 VAL 12 HG11 VAL 12 42.223 12.577 2.518 89 HG12 VAL 12 HG12 VAL 12 42.075 13.754 3.823 90 HG13 VAL 12 HG13 VAL 12 42.971 12.258 4.084 91 HG21 VAL 12 HG21 VAL 12 44.796 13.808 4.886 92 HG22 VAL 12 HG22 VAL 12 43.966 15.274 4.361 93 HG23 VAL 12 HG23 VAL 12 45.576 14.902 3.745 94 H GLY 13 HN GLY 13 45.560 10.365 1.431 95 HA2 GLY 13 HA1 GLY 13 43.342 9.853 -0.184 96 HA3 GLY 13 HA2 GLY 13 44.550 10.646 -1.187 97 H ARG 14 HN ARG 14 46.628 9.637 -1.427 98 HA ARG 14 HA ARG 14 46.441 6.706 -1.413 99 HB2 ARG 14 HB2 ARG 14 48.421 6.804 -2.853 100 HB3 ARG 14 HB1 ARG 14 47.152 7.857 -3.475 101 HG2 ARG 14 HG2 ARG 14 48.267 9.767 -2.233 102 HG3 ARG 14 HG1 ARG 14 49.616 8.674 -1.916 103 HD2 ARG 14 HD2 ARG 14 48.577 9.529 -4.633 104 HD3 ARG 14 HD1 ARG 14 50.124 9.968 -3.910 105 HE ARG 14 HE ARG 14 49.546 7.482 -5.275 106 HH11 ARG 14 HH11 ARG 14 50.656 5.584 -4.371 107 HH12 ARG 14 HH12 ARG 14 52.200 5.880 -3.643 108 HH21 ARG 14 HH21 ARG 14 51.824 9.326 -3.617 109 HH22 ARG 14 HH22 ARG 14 52.861 7.998 -3.217 110 H HIS 15 HN HIS 15 49.068 5.983 -1.290 111 HA HIS 15 HA HIS 15 50.658 5.334 0.231 112 HB2 HIS 15 HB2 HIS 15 51.433 7.634 -0.169 113 HB3 HIS 15 HB1 HIS 15 50.375 8.217 1.117 114 HD1 HIS 15 HD1 HIS 15 51.620 5.004 2.114 115 HD2 HIS 15 HD2 HIS 15 53.106 8.895 2.244 116 HE1 HIS 15 HE1 HIS 15 53.534 4.985 3.773 117 H VAL 16 HN VAL 16 50.049 7.465 2.765 118 HA VAL 16 HA VAL 16 49.533 5.577 4.697 119 HB VAL 16 HB VAL 16 50.078 7.940 5.204 120 HG11 VAL 16 HG11 VAL 16 47.172 8.516 4.560 121 HG12 VAL 16 HG12 VAL 16 48.501 8.870 3.458 122 HG13 VAL 16 HG13 VAL 16 48.417 9.675 5.025 123 HG21 VAL 16 HG21 VAL 16 47.433 7.131 6.455 124 HG22 VAL 16 HG22 VAL 16 48.699 8.120 7.182 125 HG23 VAL 16 HG23 VAL 16 48.980 6.405 6.887 126 H GLY 17 HN GLY 17 47.288 7.035 2.446 127 HA2 GLY 17 HA1 GLY 17 44.899 6.256 3.778 128 HA3 GLY 17 HA2 GLY 17 45.040 6.737 2.093 129 H ARG 18 HN ARG 18 46.755 4.819 1.105 130 HA ARG 18 HA ARG 18 46.019 2.165 1.839 131 HB2 ARG 18 HB2 ARG 18 43.867 2.921 0.841 132 HB3 ARG 18 HB1 ARG 18 44.715 3.245 -0.671 133 HG2 ARG 18 HG2 ARG 18 45.345 0.905 -0.879 134 HG3 ARG 18 HG1 ARG 18 44.654 0.544 0.704 135 HD2 ARG 18 HD2 ARG 18 42.427 1.010 -0.072 136 HD3 ARG 18 HD1 ARG 18 43.033 1.671 -1.591 137 HE ARG 18 HE ARG 18 43.928 -1.033 -1.325 138 HH11 ARG 18 HH11 ARG 18 41.324 1.016 -2.224 139 HH12 ARG 18 HH12 ARG 18 40.409 -0.245 -2.981 140 HH21 ARG 18 HH21 ARG 18 42.663 -2.743 -2.141 141 HH22 ARG 18 HH22 ARG 18 41.167 -2.374 -2.932 142 H ALA 19 HN ALA 19 48.289 1.951 1.665 143 HA ALA 19 HA ALA 19 49.761 2.563 -0.681 144 HB1 ALA 19 HB1 ALA 19 51.496 1.117 0.298 145 HB2 ALA 19 HB2 ALA 19 50.335 0.550 1.500 146 HB3 ALA 19 HB3 ALA 19 50.839 2.239 1.489 147 H ALA 20 HN ALA 20 50.821 0.921 -2.079 148 HA ALA 20 HA ALA 20 49.669 -1.687 -2.346 149 HB1 ALA 20 HB1 ALA 20 48.648 -1.261 -4.592 150 HB2 ALA 20 HB2 ALA 20 48.829 0.466 -4.287 151 HB3 ALA 20 HB3 ALA 20 47.784 -0.507 -3.253 152 H LEU 21 HN LEU 21 51.229 0.947 -4.173 153 HA LEU 21 HA LEU 21 52.802 -0.872 -5.764 154 HB2 LEU 21 HB2 LEU 21 53.365 2.073 -5.406 155 HB3 LEU 21 HB1 LEU 21 53.673 1.056 -6.814 156 HG LEU 21 HG LEU 21 50.959 1.907 -5.759 157 HD11 LEU 21 HD11 LEU 21 52.297 3.605 -7.035 158 HD12 LEU 21 HD12 LEU 21 50.795 3.148 -7.838 159 HD13 LEU 21 HD13 LEU 21 52.332 2.488 -8.399 160 HD21 LEU 21 HD21 LEU 21 51.768 -0.015 -7.959 161 HD22 LEU 21 HD22 LEU 21 50.181 0.754 -7.921 162 HD23 LEU 21 HD23 LEU 21 50.674 -0.311 -6.608 163 H THR 22 HN THR 22 53.194 -1.522 -3.112 164 HA THR 22 HA THR 22 55.425 -0.292 -1.891 165 HB THR 22 HB THR 22 54.643 -3.207 -1.613 166 HG1 THR 22 HG1 THR 22 53.704 -1.532 0.282 167 HG21 THR 22 HG21 THR 22 56.763 -2.617 -0.564 168 HG22 THR 22 HG22 THR 22 55.542 -2.854 0.686 169 HG23 THR 22 HG23 THR 22 56.019 -1.222 0.216 170 H HIS 23 HN HIS 23 57.315 -0.070 -2.929 171 HA HIS 23 HA HIS 23 58.920 -2.339 -3.538 172 HB2 HIS 23 HB2 HIS 23 59.132 -1.947 -5.985 173 HB3 HIS 23 HB1 HIS 23 57.519 -2.491 -5.524 174 HD1 HIS 23 HD1 HIS 23 57.659 0.847 -4.376 175 HD2 HIS 23 HD2 HIS 23 57.282 -0.820 -8.176 176 HE1 HIS 23 HE1 HIS 23 56.637 2.640 -5.846 177 H TYR 24 HN TYR 24 60.847 -1.437 -5.087 178 HA TYR 24 HA TYR 24 62.274 0.399 -3.546 179 HB2 TYR 24 HB2 TYR 24 62.634 -0.180 -6.497 180 HB3 TYR 24 HB1 TYR 24 63.842 0.512 -5.414 181 HD1 TYR 24 HD1 TYR 24 64.873 -0.846 -3.617 182 HD2 TYR 24 HD2 TYR 24 62.075 -2.553 -6.424 183 HE1 TYR 24 HE1 TYR 24 65.582 -3.135 -2.934 184 HE2 TYR 24 HE2 TYR 24 62.785 -4.842 -5.742 185 HH TYR 24 HH TYR 24 63.762 -5.945 -3.879 186 H LEU 25 HN LEU 25 62.122 2.532 -3.310 187 HA LEU 25 HA LEU 25 60.218 4.079 -4.739 188 HB2 LEU 25 HB2 LEU 25 60.764 4.696 -2.479 189 HB3 LEU 25 HB1 LEU 25 62.474 4.839 -2.869 190 HG LEU 25 HG LEU 25 62.081 6.798 -4.226 191 HD11 LEU 25 HD11 LEU 25 59.661 7.706 -4.324 192 HD12 LEU 25 HD12 LEU 25 59.164 6.078 -3.861 193 HD13 LEU 25 HD13 LEU 25 60.046 6.338 -5.367 194 HD21 LEU 25 HD21 LEU 25 60.386 7.027 -1.721 195 HD22 LEU 25 HD22 LEU 25 61.233 8.336 -2.545 196 HD23 LEU 25 HD23 LEU 25 62.149 7.066 -1.733 Start of MODEL 41 1 H1 GLY 1 HT1 GLY 1 46.312 15.359 10.462 2 H2 GLY 1 HT2 GLY 1 46.318 15.765 8.812 3 H3 GLY 1 HT3 GLY 1 46.229 14.137 9.291 4 HA2 GLY 1 HA1 GLY 1 44.117 14.652 10.397 5 HA3 GLY 1 HA2 GLY 1 44.201 16.229 9.624 6 H TRP 2 HN TRP 2 42.653 16.183 8.114 7 HA TRP 2 HA TRP 2 42.987 14.489 5.809 8 HB2 TRP 2 HB2 TRP 2 41.761 12.981 7.384 9 HB3 TRP 2 HB1 TRP 2 40.451 14.160 7.428 10 HD1 TRP 2 HD1 TRP 2 42.418 12.105 4.807 11 HE1 TRP 2 HE1 TRP 2 40.814 11.513 2.877 12 HE3 TRP 2 HE3 TRP 2 38.218 14.581 6.371 13 HZ2 TRP 2 HZ2 TRP 2 38.098 12.019 2.089 14 HZ3 TRP 2 HZ3 TRP 2 36.131 14.512 5.013 15 HH2 TRP 2 HH2 TRP 2 36.068 13.235 2.875 16 H GLY 3 HN GLY 3 42.196 15.479 4.033 17 HA2 GLY 3 HA1 GLY 3 41.012 16.952 2.717 18 HA3 GLY 3 HA2 GLY 3 39.965 17.275 4.093 19 H SER 4 HN SER 4 42.486 17.887 5.692 20 HA SER 4 HA SER 4 42.455 20.716 5.252 21 HB2 SER 4 HB2 SER 4 44.122 20.778 7.062 22 HB3 SER 4 HB1 SER 4 42.755 19.757 7.495 23 HG SER 4 HG SER 4 44.479 18.521 7.948 24 H PHE 5 HN PHE 5 43.432 21.601 3.545 25 HA PHE 5 HA PHE 5 45.576 20.385 2.122 26 HB2 PHE 5 HB2 PHE 5 45.706 22.619 0.972 27 HB3 PHE 5 HB1 PHE 5 44.102 21.886 0.953 28 HD1 PHE 5 HD1 PHE 5 42.253 22.835 2.223 29 HD2 PHE 5 HD2 PHE 5 46.220 24.516 2.488 30 HE1 PHE 5 HE1 PHE 5 41.328 24.841 3.377 31 HE2 PHE 5 HE2 PHE 5 45.294 26.521 3.642 32 HZ PHE 5 HZ PHE 5 42.851 26.674 4.103 33 H PHE 6 HN PHE 6 47.535 22.023 1.622 34 HA PHE 6 HA PHE 6 48.594 23.346 3.973 35 HB2 PHE 6 HB2 PHE 6 49.802 20.753 2.979 36 HB3 PHE 6 HB1 PHE 6 50.634 21.884 4.046 37 HD1 PHE 6 HD1 PHE 6 48.170 19.219 3.840 38 HD2 PHE 6 HD2 PHE 6 49.597 22.472 6.294 39 HE1 PHE 6 HE1 PHE 6 47.010 18.239 5.816 40 HE2 PHE 6 HE2 PHE 6 48.435 21.492 8.268 41 HZ PHE 6 HZ PHE 6 47.087 19.412 8.013 42 H ARG 7 HN ARG 7 48.815 22.314 0.659 43 HA ARG 7 HA ARG 7 50.155 24.738 -0.105 44 HB2 ARG 7 HB2 ARG 7 52.049 23.309 0.751 45 HB3 ARG 7 HB1 ARG 7 51.681 22.162 -0.538 46 HG2 ARG 7 HG2 ARG 7 52.018 23.950 -2.217 47 HG3 ARG 7 HG1 ARG 7 52.422 25.078 -0.922 48 HD2 ARG 7 HD2 ARG 7 53.927 22.546 -1.638 49 HD3 ARG 7 HD1 ARG 7 54.484 24.201 -1.882 50 HE ARG 7 HE ARG 7 53.927 23.973 0.863 51 HH11 ARG 7 HH11 ARG 7 55.442 23.199 2.365 52 HH12 ARG 7 HH12 ARG 7 56.927 22.515 1.793 53 HH21 ARG 7 HH21 ARG 7 56.071 22.790 -1.556 54 HH22 ARG 7 HH22 ARG 7 57.282 22.283 -0.427 55 H ARG 8 HN ARG 8 49.206 21.443 -0.968 56 HA ARG 8 HA ARG 8 47.666 22.311 -3.200 57 HB2 ARG 8 HB2 ARG 8 50.003 22.530 -4.121 58 HB3 ARG 8 HB1 ARG 8 50.184 20.788 -3.906 59 HG2 ARG 8 HG2 ARG 8 48.206 20.416 -5.356 60 HG3 ARG 8 HG1 ARG 8 48.074 22.158 -5.603 61 HD2 ARG 8 HD2 ARG 8 50.521 20.509 -6.303 62 HD3 ARG 8 HD1 ARG 8 49.286 21.003 -7.461 63 HE ARG 8 HE ARG 8 50.334 23.278 -6.015 64 HH11 ARG 8 HH11 ARG 8 52.807 23.347 -6.650 65 HH12 ARG 8 HH12 ARG 8 53.020 23.389 -8.368 66 HH21 ARG 8 HH21 ARG 8 49.793 22.329 -9.061 67 HH22 ARG 8 HH22 ARG 8 51.314 22.813 -9.732 68 H ALA 9 HN ALA 9 46.070 21.022 -2.315 69 HA ALA 9 HA ALA 9 44.909 19.101 -1.809 70 HB1 ALA 9 HB1 ALA 9 45.265 18.804 -4.246 71 HB2 ALA 9 HB2 ALA 9 45.186 17.271 -3.376 72 HB3 ALA 9 HB3 ALA 9 46.745 17.913 -3.893 73 H ALA 10 HN ALA 10 47.776 19.646 -0.675 74 HA ALA 10 HA ALA 10 49.161 18.675 0.874 75 HB1 ALA 10 HB1 ALA 10 46.964 16.642 1.245 76 HB2 ALA 10 HB2 ALA 10 46.898 18.268 1.927 77 HB3 ALA 10 HB3 ALA 10 48.176 17.156 2.420 78 H HIS 11 HN HIS 11 49.415 17.879 -1.871 79 HA HIS 11 HA HIS 11 49.701 15.091 -2.197 80 HB2 HIS 11 HB2 HIS 11 49.657 16.665 -4.090 81 HB3 HIS 11 HB1 HIS 11 51.203 17.334 -3.570 82 HD1 HIS 11 HD1 HIS 11 49.682 14.405 -5.298 83 HD2 HIS 11 HD2 HIS 11 53.447 15.563 -3.935 84 HE1 HIS 11 HE1 HIS 11 51.344 12.796 -6.330 85 H VAL 12 HN VAL 12 51.665 17.461 -0.609 86 HA VAL 12 HA VAL 12 54.127 16.007 -0.660 87 HB VAL 12 HB VAL 12 53.276 18.060 1.400 88 HG11 VAL 12 HG11 VAL 12 55.963 17.138 0.339 89 HG12 VAL 12 HG12 VAL 12 55.323 16.857 1.959 90 HG13 VAL 12 HG13 VAL 12 55.737 18.493 1.446 91 HG21 VAL 12 HG21 VAL 12 54.281 19.734 -0.108 92 HG22 VAL 12 HG22 VAL 12 52.927 18.924 -0.895 93 HG23 VAL 12 HG23 VAL 12 54.582 18.478 -1.308 94 H GLY 13 HN GLY 13 53.014 13.901 -0.112 95 HA2 GLY 13 HA1 GLY 13 53.726 13.028 2.422 96 HA3 GLY 13 HA2 GLY 13 52.019 13.438 2.504 97 H ARG 14 HN ARG 14 53.008 12.426 -0.582 98 HA ARG 14 HA ARG 14 51.303 10.202 -0.650 99 HB2 ARG 14 HB2 ARG 14 52.215 11.444 -2.642 100 HB3 ARG 14 HB1 ARG 14 53.748 10.613 -2.383 101 HG2 ARG 14 HG2 ARG 14 52.689 8.448 -2.690 102 HG3 ARG 14 HG1 ARG 14 51.097 9.200 -2.789 103 HD2 ARG 14 HD2 ARG 14 51.720 10.358 -4.838 104 HD3 ARG 14 HD1 ARG 14 53.370 9.750 -4.717 105 HE ARG 14 HE ARG 14 51.581 7.527 -4.733 106 HH11 ARG 14 HH11 ARG 14 52.838 10.060 -6.708 107 HH12 ARG 14 HH12 ARG 14 52.620 9.190 -8.190 108 HH21 ARG 14 HH21 ARG 14 51.262 6.390 -6.660 109 HH22 ARG 14 HH22 ARG 14 51.729 7.114 -8.164 110 H HIS 15 HN HIS 15 54.618 10.533 0.375 111 HA HIS 15 HA HIS 15 55.247 7.732 0.336 112 HB2 HIS 15 HB2 HIS 15 56.557 9.926 1.958 113 HB3 HIS 15 HB1 HIS 15 57.252 8.362 1.530 114 HD1 HIS 15 HD1 HIS 15 56.695 8.121 -1.404 115 HD2 HIS 15 HD2 HIS 15 57.767 11.770 0.299 116 HE1 HIS 15 HE1 HIS 15 57.665 9.529 -3.273 117 H VAL 16 HN VAL 16 54.807 9.993 3.068 118 HA VAL 16 HA VAL 16 54.291 7.805 4.906 119 HB VAL 16 HB VAL 16 53.873 9.711 6.543 120 HG11 VAL 16 HG11 VAL 16 56.488 9.718 5.006 121 HG12 VAL 16 HG12 VAL 16 56.074 8.625 6.327 122 HG13 VAL 16 HG13 VAL 16 56.258 10.352 6.636 123 HG21 VAL 16 HG21 VAL 16 54.395 11.961 5.846 124 HG22 VAL 16 HG22 VAL 16 53.213 11.328 4.703 125 HG23 VAL 16 HG23 VAL 16 54.917 11.407 4.256 126 H GLY 17 HN GLY 17 52.440 7.706 2.872 127 HA2 GLY 17 HA1 GLY 17 49.977 7.891 4.338 128 HA3 GLY 17 HA2 GLY 17 50.074 9.059 3.026 129 H ARG 18 HN ARG 18 51.541 7.473 1.190 130 HA ARG 18 HA ARG 18 50.189 4.961 0.777 131 HB2 ARG 18 HB2 ARG 18 48.474 6.708 0.093 132 HB3 ARG 18 HB1 ARG 18 49.577 7.164 -1.204 133 HG2 ARG 18 HG2 ARG 18 49.568 4.741 -1.938 134 HG3 ARG 18 HG1 ARG 18 48.275 4.464 -0.771 135 HD2 ARG 18 HD2 ARG 18 47.334 4.898 -3.000 136 HD3 ARG 18 HD1 ARG 18 46.908 6.201 -1.890 137 HE ARG 18 HE ARG 18 49.252 7.077 -3.092 138 HH11 ARG 18 HH11 ARG 18 46.565 8.380 -3.511 139 HH12 ARG 18 HH12 ARG 18 46.379 8.259 -5.229 140 HH21 ARG 18 HH21 ARG 18 48.859 5.864 -5.596 141 HH22 ARG 18 HH22 ARG 18 47.679 6.835 -6.409 142 H ALA 19 HN ALA 19 52.543 4.554 0.813 143 HA ALA 19 HA ALA 19 54.249 5.537 -1.243 144 HB1 ALA 19 HB1 ALA 19 54.546 2.965 0.310 145 HB2 ALA 19 HB2 ALA 19 54.994 4.549 0.942 146 HB3 ALA 19 HB3 ALA 19 55.822 3.898 -0.472 147 H ALA 20 HN ALA 20 55.239 2.701 -1.790 148 HA ALA 20 HA ALA 20 53.205 1.449 -3.385 149 HB1 ALA 20 HB1 ALA 20 53.762 3.406 -4.799 150 HB2 ALA 20 HB2 ALA 20 54.179 1.872 -5.566 151 HB3 ALA 20 HB3 ALA 20 55.440 2.868 -4.839 152 H LEU 21 HN LEU 21 56.383 1.703 -2.112 153 HA LEU 21 HA LEU 21 57.560 -0.566 -3.361 154 HB2 LEU 21 HB2 LEU 21 58.244 0.472 -0.607 155 HB3 LEU 21 HB1 LEU 21 59.300 -0.356 -1.752 156 HG LEU 21 HG LEU 21 58.079 2.396 -2.141 157 HD11 LEU 21 HD11 LEU 21 60.935 1.520 -1.609 158 HD12 LEU 21 HD12 LEU 21 59.880 2.337 -0.456 159 HD13 LEU 21 HD13 LEU 21 60.410 3.176 -1.914 160 HD21 LEU 21 HD21 LEU 21 59.782 2.391 -4.087 161 HD22 LEU 21 HD22 LEU 21 58.317 1.441 -4.311 162 HD23 LEU 21 HD23 LEU 21 59.829 0.640 -3.884 163 H THR 22 HN THR 22 55.691 -2.020 -3.232 164 HA THR 22 HA THR 22 55.990 -3.881 -1.077 165 HB THR 22 HB THR 22 54.533 -2.322 0.117 166 HG1 THR 22 HG1 THR 22 53.954 -4.831 -0.452 167 HG21 THR 22 HG21 THR 22 53.614 -1.277 -1.992 168 HG22 THR 22 HG22 THR 22 52.402 -1.615 -0.755 169 HG23 THR 22 HG23 THR 22 52.561 -2.683 -2.151 170 H HIS 23 HN HIS 23 55.064 -2.971 -4.144 171 HA HIS 23 HA HIS 23 54.149 -4.068 -5.944 172 HB2 HIS 23 HB2 HIS 23 56.054 -5.597 -5.323 173 HB3 HIS 23 HB1 HIS 23 54.899 -6.567 -4.410 174 HD1 HIS 23 HD1 HIS 23 52.580 -6.001 -6.638 175 HD2 HIS 23 HD2 HIS 23 56.323 -7.728 -7.249 176 HE1 HIS 23 HE1 HIS 23 52.405 -7.354 -8.772 177 H TYR 24 HN TYR 24 51.995 -3.692 -5.980 178 HA TYR 24 HA TYR 24 50.072 -4.473 -4.146 179 HB2 TYR 24 HB2 TYR 24 49.818 -4.106 -7.139 180 HB3 TYR 24 HB1 TYR 24 48.449 -4.254 -6.037 181 HD1 TYR 24 HD1 TYR 24 47.962 -2.504 -4.363 182 HD2 TYR 24 HD2 TYR 24 51.218 -2.103 -7.168 183 HE1 TYR 24 HE1 TYR 24 48.129 -0.078 -3.822 184 HE2 TYR 24 HE2 TYR 24 51.383 0.324 -6.627 185 HH TYR 24 HH TYR 24 49.301 2.081 -5.636 186 H LEU 25 HN LEU 25 48.170 -6.014 -4.877 187 HA LEU 25 HA LEU 25 49.239 -8.669 -4.805 188 HB2 LEU 25 HB2 LEU 25 46.448 -7.527 -4.985 189 HB3 LEU 25 HB1 LEU 25 46.732 -9.265 -5.077 190 HG LEU 25 HG LEU 25 47.801 -9.257 -2.892 191 HD11 LEU 25 HD11 LEU 25 47.692 -7.039 -1.567 192 HD12 LEU 25 HD12 LEU 25 47.487 -6.256 -3.134 193 HD13 LEU 25 HD13 LEU 25 48.950 -7.181 -2.792 194 HD21 LEU 25 HD21 LEU 25 45.262 -7.604 -2.748 195 HD22 LEU 25 HD22 LEU 25 45.869 -8.729 -1.532 196 HD23 LEU 25 HD23 LEU 25 45.285 -9.335 -3.082 Start of MODEL 42 1 H1 GLY 1 HT1 GLY 1 40.456 14.021 3.326 2 H2 GLY 1 HT2 GLY 1 39.148 14.804 4.076 3 H3 GLY 1 HT3 GLY 1 39.774 13.366 4.733 4 HA2 GLY 1 HA1 GLY 1 41.654 14.353 5.498 5 HA3 GLY 1 HA2 GLY 1 41.464 15.719 4.407 6 H TRP 2 HN TRP 2 41.957 16.607 6.734 7 HA TRP 2 HA TRP 2 39.596 17.940 7.601 8 HB2 TRP 2 HB2 TRP 2 39.159 15.773 8.685 9 HB3 TRP 2 HB1 TRP 2 40.726 15.858 9.488 10 HD1 TRP 2 HD1 TRP 2 37.375 17.751 9.322 11 HE1 TRP 2 HE1 TRP 2 37.034 18.999 11.553 12 HE3 TRP 2 HE3 TRP 2 41.852 16.731 11.588 13 HZ2 TRP 2 HZ2 TRP 2 38.468 19.506 13.990 14 HZ3 TRP 2 HZ3 TRP 2 42.343 17.607 13.866 15 HH2 TRP 2 HH2 TRP 2 40.657 18.993 15.068 16 H GLY 3 HN GLY 3 42.828 17.659 7.244 17 HA2 GLY 3 HA1 GLY 3 43.442 20.165 8.338 18 HA3 GLY 3 HA2 GLY 3 43.936 18.930 9.489 19 H SER 4 HN SER 4 44.444 17.046 7.203 20 HA SER 4 HA SER 4 47.212 17.519 6.919 21 HB2 SER 4 HB2 SER 4 47.119 15.693 5.236 22 HB3 SER 4 HB1 SER 4 46.283 15.277 6.730 23 HG SER 4 HG SER 4 45.204 14.938 4.560 24 H PHE 5 HN PHE 5 47.785 19.437 6.006 25 HA PHE 5 HA PHE 5 47.491 19.697 3.143 26 HB2 PHE 5 HB2 PHE 5 45.364 20.697 4.043 27 HB3 PHE 5 HB1 PHE 5 46.349 21.891 4.889 28 HD1 PHE 5 HD1 PHE 5 45.044 20.795 1.639 29 HD2 PHE 5 HD2 PHE 5 47.748 23.518 3.616 30 HE1 PHE 5 HE1 PHE 5 45.192 22.157 -0.441 31 HE2 PHE 5 HE2 PHE 5 47.895 24.881 1.535 32 HZ PHE 5 HZ PHE 5 46.671 24.161 -0.513 33 H PHE 6 HN PHE 6 49.256 20.646 2.328 34 HA PHE 6 HA PHE 6 50.700 22.722 3.690 35 HB2 PHE 6 HB2 PHE 6 51.423 20.612 4.900 36 HB3 PHE 6 HB1 PHE 6 52.136 20.078 3.379 37 HD1 PHE 6 HD1 PHE 6 52.406 22.427 6.195 38 HD2 PHE 6 HD2 PHE 6 54.038 21.307 2.360 39 HE1 PHE 6 HE1 PHE 6 54.432 23.800 6.657 40 HE2 PHE 6 HE2 PHE 6 56.063 22.683 2.821 41 HZ PHE 6 HZ PHE 6 56.296 23.862 5.004 42 H ARG 7 HN ARG 7 49.899 20.846 1.023 43 HA ARG 7 HA ARG 7 51.238 22.624 -0.789 44 HB2 ARG 7 HB2 ARG 7 52.519 20.794 -1.961 45 HB3 ARG 7 HB1 ARG 7 53.167 21.258 -0.390 46 HG2 ARG 7 HG2 ARG 7 51.876 19.332 0.620 47 HG3 ARG 7 HG1 ARG 7 51.477 18.821 -1.019 48 HD2 ARG 7 HD2 ARG 7 53.443 17.599 -0.246 49 HD3 ARG 7 HD1 ARG 7 53.908 18.702 -1.542 50 HE ARG 7 HE ARG 7 54.239 20.003 0.994 51 HH11 ARG 7 HH11 ARG 7 56.484 20.762 0.004 52 HH12 ARG 7 HH12 ARG 7 57.683 19.520 0.146 53 HH21 ARG 7 HH21 ARG 7 55.378 16.997 0.735 54 HH22 ARG 7 HH22 ARG 7 57.056 17.387 0.560 55 H ARG 8 HN ARG 8 49.663 19.453 -0.434 56 HA ARG 8 HA ARG 8 47.501 20.159 -2.136 57 HB2 ARG 8 HB2 ARG 8 49.377 19.840 -3.820 58 HB3 ARG 8 HB1 ARG 8 49.402 18.142 -3.347 59 HG2 ARG 8 HG2 ARG 8 46.938 18.040 -3.892 60 HG3 ARG 8 HG1 ARG 8 47.079 19.668 -4.554 61 HD2 ARG 8 HD2 ARG 8 48.883 18.823 -6.082 62 HD3 ARG 8 HD1 ARG 8 48.552 17.193 -5.495 63 HE ARG 8 HE ARG 8 46.079 18.213 -6.344 64 HH11 ARG 8 HH11 ARG 8 48.987 16.845 -7.480 65 HH12 ARG 8 HH12 ARG 8 48.513 16.842 -9.146 66 HH21 ARG 8 HH21 ARG 8 45.542 18.539 -8.578 67 HH22 ARG 8 HH22 ARG 8 46.563 17.801 -9.768 68 H ALA 9 HN ALA 9 46.928 19.295 0.128 69 HA ALA 9 HA ALA 9 46.055 17.637 1.464 70 HB1 ALA 9 HB1 ALA 9 44.720 15.955 0.273 71 HB2 ALA 9 HB2 ALA 9 45.495 16.417 -1.243 72 HB3 ALA 9 HB3 ALA 9 44.462 17.567 -0.393 73 H ALA 10 HN ALA 10 48.917 17.408 0.451 74 HA ALA 10 HA ALA 10 50.679 15.955 0.669 75 HB1 ALA 10 HB1 ALA 10 48.798 14.284 2.330 76 HB2 ALA 10 HB2 ALA 10 49.591 15.738 2.935 77 HB3 ALA 10 HB3 ALA 10 50.557 14.353 2.428 78 H HIS 11 HN HIS 11 48.135 15.355 -1.164 79 HA HIS 11 HA HIS 11 48.342 12.548 -1.694 80 HB2 HIS 11 HB2 HIS 11 46.320 13.906 -2.212 81 HB3 HIS 11 HB1 HIS 11 47.235 14.731 -3.473 82 HD1 HIS 11 HD1 HIS 11 45.289 11.690 -2.816 83 HD2 HIS 11 HD2 HIS 11 48.221 12.833 -5.549 84 HE1 HIS 11 HE1 HIS 11 45.183 10.025 -4.720 85 H VAL 12 HN VAL 12 49.689 15.473 -3.174 86 HA VAL 12 HA VAL 12 50.861 14.389 -5.441 87 HB VAL 12 HB VAL 12 50.851 16.815 -4.939 88 HG11 VAL 12 HG11 VAL 12 53.108 16.199 -3.011 89 HG12 VAL 12 HG12 VAL 12 51.448 16.505 -2.503 90 HG13 VAL 12 HG13 VAL 12 52.365 17.767 -3.325 91 HG21 VAL 12 HG21 VAL 12 53.024 17.299 -5.873 92 HG22 VAL 12 HG22 VAL 12 52.490 15.764 -6.557 93 HG23 VAL 12 HG23 VAL 12 53.687 15.784 -5.262 94 H GLY 13 HN GLY 13 52.989 13.648 -5.896 95 HA2 GLY 13 HA1 GLY 13 54.995 12.585 -5.478 96 HA3 GLY 13 HA2 GLY 13 54.821 12.990 -3.776 97 H ARG 14 HN ARG 14 52.378 11.782 -3.218 98 HA ARG 14 HA ARG 14 51.577 9.758 -2.473 99 HB2 ARG 14 HB2 ARG 14 52.599 8.755 -5.140 100 HB3 ARG 14 HB1 ARG 14 51.320 8.041 -4.156 101 HG2 ARG 14 HG2 ARG 14 50.001 10.142 -4.405 102 HG3 ARG 14 HG1 ARG 14 51.255 10.770 -5.476 103 HD2 ARG 14 HD2 ARG 14 49.606 8.267 -5.941 104 HD3 ARG 14 HD1 ARG 14 49.436 9.797 -6.802 105 HE ARG 14 HE ARG 14 52.139 8.824 -7.013 106 HH11 ARG 14 HH11 ARG 14 52.135 6.670 -8.268 107 HH12 ARG 14 HH12 ARG 14 51.196 6.735 -9.722 108 HH21 ARG 14 HH21 ARG 14 49.531 9.644 -8.832 109 HH22 ARG 14 HH22 ARG 14 49.721 8.418 -10.041 110 H HIS 15 HN HIS 15 52.518 7.135 -3.098 111 HA HIS 15 HA HIS 15 53.964 5.578 -2.233 112 HB2 HIS 15 HB2 HIS 15 55.411 6.458 -4.015 113 HB3 HIS 15 HB1 HIS 15 56.012 7.701 -2.918 114 HD1 HIS 15 HD1 HIS 15 56.230 4.034 -3.647 115 HD2 HIS 15 HD2 HIS 15 57.827 6.764 -0.934 116 HE1 HIS 15 HE1 HIS 15 58.083 2.822 -2.419 117 H VAL 16 HN VAL 16 55.941 8.323 -1.214 118 HA VAL 16 HA VAL 16 56.187 7.351 1.438 119 HB VAL 16 HB VAL 16 57.876 8.834 0.353 120 HG11 VAL 16 HG11 VAL 16 56.113 10.339 -0.691 121 HG12 VAL 16 HG12 VAL 16 57.464 11.179 0.070 122 HG13 VAL 16 HG13 VAL 16 55.911 11.076 0.899 123 HG21 VAL 16 HG21 VAL 16 58.361 10.140 2.350 124 HG22 VAL 16 HG22 VAL 16 57.696 8.584 2.843 125 HG23 VAL 16 HG23 VAL 16 56.683 10.027 2.878 126 H GLY 17 HN GLY 17 54.037 9.670 -0.093 127 HA2 GLY 17 HA1 GLY 17 52.994 10.909 2.193 128 HA3 GLY 17 HA2 GLY 17 52.155 10.738 0.656 129 H ARG 18 HN ARG 18 51.555 8.235 0.316 130 HA ARG 18 HA ARG 18 49.554 7.689 2.270 131 HB2 ARG 18 HB2 ARG 18 49.431 7.098 -0.183 132 HB3 ARG 18 HB1 ARG 18 50.584 5.803 0.143 133 HG2 ARG 18 HG2 ARG 18 49.051 4.791 1.753 134 HG3 ARG 18 HG1 ARG 18 47.915 6.125 1.545 135 HD2 ARG 18 HD2 ARG 18 47.546 5.523 -0.777 136 HD3 ARG 18 HD1 ARG 18 48.801 4.288 -0.697 137 HE ARG 18 HE ARG 18 46.082 3.926 0.122 138 HH11 ARG 18 HH11 ARG 18 47.383 3.832 2.795 139 HH12 ARG 18 HH12 ARG 18 47.855 2.170 2.926 140 HH21 ARG 18 HH21 ARG 18 47.528 1.535 -0.467 141 HH22 ARG 18 HH22 ARG 18 47.934 0.869 1.079 142 H ALA 19 HN ALA 19 52.864 6.806 1.933 143 HA ALA 19 HA ALA 19 54.259 5.458 3.160 144 HB1 ALA 19 HB1 ALA 19 53.812 5.306 5.516 145 HB2 ALA 19 HB2 ALA 19 52.099 5.644 5.260 146 HB3 ALA 19 HB3 ALA 19 53.301 6.901 4.965 147 H ALA 20 HN ALA 20 52.306 4.197 1.412 148 HA ALA 20 HA ALA 20 51.258 1.867 2.732 149 HB1 ALA 20 HB1 ALA 20 50.145 2.664 0.760 150 HB2 ALA 20 HB2 ALA 20 50.850 1.091 0.385 151 HB3 ALA 20 HB3 ALA 20 51.633 2.565 -0.180 152 H LEU 21 HN LEU 21 52.061 -0.205 2.762 153 HA LEU 21 HA LEU 21 54.911 -0.497 2.603 154 HB2 LEU 21 HB2 LEU 21 52.898 -2.738 2.853 155 HB3 LEU 21 HB1 LEU 21 54.567 -2.705 3.423 156 HG LEU 21 HG LEU 21 52.318 -0.958 4.474 157 HD11 LEU 21 HD11 LEU 21 52.190 -3.400 5.061 158 HD12 LEU 21 HD12 LEU 21 52.411 -2.344 6.456 159 HD13 LEU 21 HD13 LEU 21 53.779 -3.252 5.811 160 HD21 LEU 21 HD21 LEU 21 54.347 0.263 4.752 161 HD22 LEU 21 HD22 LEU 21 55.265 -1.191 5.145 162 HD23 LEU 21 HD23 LEU 21 54.101 -0.542 6.300 163 H THR 22 HN THR 22 54.913 0.220 0.258 164 HA THR 22 HA THR 22 55.116 -0.243 -1.989 165 HB THR 22 HB THR 22 56.181 -2.395 -2.530 166 HG1 THR 22 HG1 THR 22 55.734 -3.031 0.193 167 HG21 THR 22 HG21 THR 22 57.249 -1.383 0.114 168 HG22 THR 22 HG22 THR 22 57.450 -0.506 -1.404 169 HG23 THR 22 HG23 THR 22 58.162 -2.108 -1.210 170 H HIS 23 HN HIS 23 52.916 0.023 -2.536 171 HA HIS 23 HA HIS 23 51.030 -2.130 -2.379 172 HB2 HIS 23 HB2 HIS 23 49.667 -0.629 -3.889 173 HB3 HIS 23 HB1 HIS 23 50.183 0.115 -2.376 174 HD1 HIS 23 HD1 HIS 23 50.335 0.553 -6.000 175 HD2 HIS 23 HD2 HIS 23 52.557 1.851 -2.722 176 HE1 HIS 23 HE1 HIS 23 51.774 2.467 -6.823 177 H TYR 24 HN TYR 24 50.369 -3.553 -3.940 178 HA TYR 24 HA TYR 24 52.200 -4.422 -5.876 179 HB2 TYR 24 HB2 TYR 24 49.205 -4.867 -5.870 180 HB3 TYR 24 HB1 TYR 24 50.415 -5.857 -6.688 181 HD1 TYR 24 HD1 TYR 24 51.962 -7.298 -5.415 182 HD2 TYR 24 HD2 TYR 24 48.914 -4.963 -3.443 183 HE1 TYR 24 HE1 TYR 24 52.283 -8.634 -3.336 184 HE2 TYR 24 HE2 TYR 24 49.235 -6.298 -1.364 185 HH TYR 24 HH TYR 24 51.404 -9.084 -1.253 186 H LEU 25 HN LEU 25 49.956 -1.833 -5.935 187 HA LEU 25 HA LEU 25 49.282 -0.369 -7.565 188 HB2 LEU 25 HB2 LEU 25 51.620 0.173 -7.697 189 HB3 LEU 25 HB1 LEU 25 51.960 -1.266 -8.651 190 HG LEU 25 HG LEU 25 50.769 -0.381 -10.557 191 HD11 LEU 25 HD11 LEU 25 49.796 2.003 -10.349 192 HD12 LEU 25 HD12 LEU 25 49.856 1.745 -8.605 193 HD13 LEU 25 HD13 LEU 25 48.867 0.695 -9.621 194 HD21 LEU 25 HD21 LEU 25 52.132 1.544 -11.071 195 HD22 LEU 25 HD22 LEU 25 53.099 0.465 -10.067 196 HD23 LEU 25 HD23 LEU 25 52.361 1.903 -9.360 Start of MODEL 43 1 H1 GLY 1 HT1 GLY 1 40.149 20.571 9.861 2 H2 GLY 1 HT2 GLY 1 39.006 21.620 9.165 3 H3 GLY 1 HT3 GLY 1 39.827 22.070 10.584 4 HA2 GLY 1 HA1 GLY 1 41.896 21.694 9.101 5 HA3 GLY 1 HA2 GLY 1 40.727 22.034 7.833 6 H TRP 2 HN TRP 2 42.445 23.850 7.696 7 HA TRP 2 HA TRP 2 41.192 26.255 8.579 8 HB2 TRP 2 HB2 TRP 2 42.353 25.505 10.688 9 HB3 TRP 2 HB1 TRP 2 43.885 25.673 9.833 10 HD1 TRP 2 HD1 TRP 2 44.709 28.111 9.222 11 HE1 TRP 2 HE1 TRP 2 44.023 30.444 10.082 12 HE3 TRP 2 HE3 TRP 2 40.316 26.920 11.567 13 HZ2 TRP 2 HZ2 TRP 2 41.888 31.657 11.573 14 HZ3 TRP 2 HZ3 TRP 2 38.971 28.683 12.701 15 HH2 TRP 2 HH2 TRP 2 39.752 31.047 12.707 16 H GLY 3 HN GLY 3 44.273 24.801 7.549 17 HA2 GLY 3 HA1 GLY 3 44.324 26.247 5.110 18 HA3 GLY 3 HA2 GLY 3 45.399 26.998 6.280 19 H SER 4 HN SER 4 45.415 23.895 7.190 20 HA SER 4 HA SER 4 48.023 23.383 6.196 21 HB2 SER 4 HB2 SER 4 47.232 22.421 8.303 22 HB3 SER 4 HB1 SER 4 46.006 21.496 7.440 23 HG SER 4 HG SER 4 48.777 21.160 7.561 24 H PHE 5 HN PHE 5 48.614 21.419 4.940 25 HA PHE 5 HA PHE 5 47.533 21.452 2.372 26 HB2 PHE 5 HB2 PHE 5 48.774 19.331 2.026 27 HB3 PHE 5 HB1 PHE 5 49.754 20.558 2.830 28 HD1 PHE 5 HD1 PHE 5 50.378 20.349 5.187 29 HD2 PHE 5 HD2 PHE 5 47.904 17.383 3.262 30 HE1 PHE 5 HE1 PHE 5 50.738 18.804 7.108 31 HE2 PHE 5 HE2 PHE 5 48.264 15.837 5.184 32 HZ PHE 5 HZ PHE 5 49.616 16.579 7.140 33 H PHE 6 HN PHE 6 46.666 19.383 1.279 34 HA PHE 6 HA PHE 6 45.020 17.608 2.780 35 HB2 PHE 6 HB2 PHE 6 43.667 19.648 3.064 36 HB3 PHE 6 HB1 PHE 6 43.593 19.840 1.312 37 HD1 PHE 6 HD1 PHE 6 41.971 18.649 0.016 38 HD2 PHE 6 HD2 PHE 6 42.741 17.496 4.105 39 HE1 PHE 6 HE1 PHE 6 40.032 17.086 -0.059 40 HE2 PHE 6 HE2 PHE 6 40.802 15.935 4.029 41 HZ PHE 6 HZ PHE 6 39.412 15.773 1.966 42 H ARG 7 HN ARG 7 46.384 16.336 1.310 43 HA ARG 7 HA ARG 7 46.743 15.100 -0.595 44 HB2 ARG 7 HB2 ARG 7 43.807 15.656 -1.073 45 HB3 ARG 7 HB1 ARG 7 44.750 14.321 -1.737 46 HG2 ARG 7 HG2 ARG 7 45.179 13.501 0.566 47 HG3 ARG 7 HG1 ARG 7 44.175 14.805 1.201 48 HD2 ARG 7 HD2 ARG 7 43.216 12.697 -0.756 49 HD3 ARG 7 HD1 ARG 7 42.925 12.656 0.983 50 HE ARG 7 HE ARG 7 42.034 15.161 -0.133 51 HH11 ARG 7 HH11 ARG 7 40.984 12.513 1.515 52 HH12 ARG 7 HH12 ARG 7 39.419 12.415 0.777 53 HH21 ARG 7 HH21 ARG 7 40.144 14.743 -1.689 54 HH22 ARG 7 HH22 ARG 7 38.944 13.677 -1.036 55 H ARG 8 HN ARG 8 47.830 17.401 -1.062 56 HA ARG 8 HA ARG 8 47.417 17.858 -3.872 57 HB2 ARG 8 HB2 ARG 8 47.012 20.338 -3.584 58 HB3 ARG 8 HB1 ARG 8 45.648 19.306 -3.156 59 HG2 ARG 8 HG2 ARG 8 46.095 19.526 -0.811 60 HG3 ARG 8 HG1 ARG 8 47.659 20.282 -1.114 61 HD2 ARG 8 HD2 ARG 8 45.019 21.490 -1.977 62 HD3 ARG 8 HD1 ARG 8 45.845 21.909 -0.476 63 HE ARG 8 HE ARG 8 47.576 22.184 -2.794 64 HH11 ARG 8 HH11 ARG 8 44.857 23.729 -3.065 65 HH12 ARG 8 HH12 ARG 8 45.369 25.302 -2.554 66 HH21 ARG 8 HH21 ARG 8 48.356 24.179 -1.198 67 HH22 ARG 8 HH22 ARG 8 47.350 25.557 -1.497 68 H ALA 9 HN ALA 9 49.188 18.822 -4.830 69 HA ALA 9 HA ALA 9 51.418 19.337 -5.039 70 HB1 ALA 9 HB1 ALA 9 52.178 21.198 -3.732 71 HB2 ALA 9 HB2 ALA 9 50.964 20.889 -2.492 72 HB3 ALA 9 HB3 ALA 9 50.470 21.454 -4.089 73 H ALA 10 HN ALA 10 50.394 17.210 -2.922 74 HA ALA 10 HA ALA 10 52.977 16.189 -2.310 75 HB1 ALA 10 HB1 ALA 10 52.864 16.394 0.144 76 HB2 ALA 10 HB2 ALA 10 51.425 17.401 -0.018 77 HB3 ALA 10 HB3 ALA 10 52.974 17.968 -0.641 78 H HIS 11 HN HIS 11 52.182 14.270 -3.119 79 HA HIS 11 HA HIS 11 49.706 13.105 -2.372 80 HB2 HIS 11 HB2 HIS 11 50.715 11.010 -3.327 81 HB3 HIS 11 HB1 HIS 11 50.778 12.400 -4.411 82 HD1 HIS 11 HD1 HIS 11 52.915 9.958 -2.675 83 HD2 HIS 11 HD2 HIS 11 53.436 13.715 -4.398 84 HE1 HIS 11 HE1 HIS 11 55.406 10.246 -3.024 85 H VAL 12 HN VAL 12 49.817 13.430 -0.032 86 HA VAL 12 HA VAL 12 51.734 12.029 1.560 87 HB VAL 12 HB VAL 12 50.113 12.487 3.439 88 HG11 VAL 12 HG11 VAL 12 51.881 14.099 2.791 89 HG12 VAL 12 HG12 VAL 12 50.431 14.925 3.363 90 HG13 VAL 12 HG13 VAL 12 50.773 14.837 1.634 91 HG21 VAL 12 HG21 VAL 12 48.157 13.880 2.944 92 HG22 VAL 12 HG22 VAL 12 48.058 12.377 2.029 93 HG23 VAL 12 HG23 VAL 12 48.555 13.867 1.227 94 H GLY 13 HN GLY 13 48.934 11.076 -0.145 95 HA2 GLY 13 HA1 GLY 13 47.824 9.061 1.379 96 HA3 GLY 13 HA2 GLY 13 47.918 9.033 -0.377 97 H ARG 14 HN ARG 14 50.106 8.365 -1.261 98 HA ARG 14 HA ARG 14 50.791 5.811 -0.131 99 HB2 ARG 14 HB2 ARG 14 51.993 7.387 -2.421 100 HB3 ARG 14 HB1 ARG 14 52.437 5.731 -2.004 101 HG2 ARG 14 HG2 ARG 14 50.166 4.965 -2.406 102 HG3 ARG 14 HG1 ARG 14 49.617 6.620 -2.669 103 HD2 ARG 14 HD2 ARG 14 51.221 6.779 -4.596 104 HD3 ARG 14 HD1 ARG 14 51.573 5.065 -4.382 105 HE ARG 14 HE ARG 14 49.249 6.128 -5.696 106 HH11 ARG 14 HH11 ARG 14 50.695 3.435 -4.189 107 HH12 ARG 14 HH12 ARG 14 49.295 2.422 -4.314 108 HH21 ARG 14 HH21 ARG 14 47.265 4.933 -5.576 109 HH22 ARG 14 HH22 ARG 14 47.352 3.271 -5.098 110 H HIS 15 HN HIS 15 53.306 5.328 -0.119 111 HA HIS 15 HA HIS 15 55.206 5.505 1.161 112 HB2 HIS 15 HB2 HIS 15 54.871 8.378 0.268 113 HB3 HIS 15 HB1 HIS 15 56.322 7.747 1.048 114 HD1 HIS 15 HD1 HIS 15 54.118 6.531 -1.838 115 HD2 HIS 15 HD2 HIS 15 58.145 6.995 -0.868 116 HE1 HIS 15 HE1 HIS 15 55.436 5.765 -3.860 117 H VAL 16 HN VAL 16 54.617 8.780 2.065 118 HA VAL 16 HA VAL 16 54.544 8.087 4.858 119 HB VAL 16 HB VAL 16 53.986 10.816 3.661 120 HG11 VAL 16 HG11 VAL 16 54.822 11.620 5.796 121 HG12 VAL 16 HG12 VAL 16 55.255 9.983 6.287 122 HG13 VAL 16 HG13 VAL 16 53.559 10.429 6.107 123 HG21 VAL 16 HG21 VAL 16 56.431 11.203 3.881 124 HG22 VAL 16 HG22 VAL 16 56.072 9.943 2.700 125 HG23 VAL 16 HG23 VAL 16 56.647 9.506 4.310 126 H GLY 17 HN GLY 17 52.530 6.713 4.411 127 HA2 GLY 17 HA1 GLY 17 50.325 7.819 5.691 128 HA3 GLY 17 HA2 GLY 17 50.024 7.953 3.963 129 H ARG 18 HN ARG 18 51.295 5.591 3.122 130 HA ARG 18 HA ARG 18 50.184 3.344 4.585 131 HB2 ARG 18 HB2 ARG 18 48.245 4.312 3.257 132 HB3 ARG 18 HB1 ARG 18 49.137 3.885 1.797 133 HG2 ARG 18 HG2 ARG 18 49.208 1.524 2.534 134 HG3 ARG 18 HG1 ARG 18 48.299 1.954 3.982 135 HD2 ARG 18 HD2 ARG 18 47.320 2.341 1.138 136 HD3 ARG 18 HD1 ARG 18 46.825 1.032 2.211 137 HE ARG 18 HE ARG 18 46.353 3.502 3.547 138 HH11 ARG 18 HH11 ARG 18 44.498 1.085 2.770 139 HH12 ARG 18 HH12 ARG 18 43.236 1.946 1.956 140 HH21 ARG 18 HH21 ARG 18 45.064 4.878 1.660 141 HH22 ARG 18 HH22 ARG 18 43.556 4.093 1.327 142 H ALA 19 HN ALA 19 52.678 3.375 4.368 143 HA ALA 19 HA ALA 19 53.877 2.691 1.889 144 HB1 ALA 19 HB1 ALA 19 55.818 2.096 3.210 145 HB2 ALA 19 HB2 ALA 19 54.840 2.047 4.678 146 HB3 ALA 19 HB3 ALA 19 55.111 3.580 3.849 147 H ALA 20 HN ALA 20 54.138 0.786 0.879 148 HA ALA 20 HA ALA 20 53.903 -1.749 2.206 149 HB1 ALA 20 HB1 ALA 20 51.669 -0.833 0.390 150 HB2 ALA 20 HB2 ALA 20 51.542 -1.267 2.096 151 HB3 ALA 20 HB3 ALA 20 51.918 -2.504 0.897 152 H LEU 21 HN LEU 21 54.405 0.243 -0.553 153 HA LEU 21 HA LEU 21 55.395 -0.117 -2.600 154 HB2 LEU 21 HB2 LEU 21 56.871 -2.371 -1.234 155 HB3 LEU 21 HB1 LEU 21 57.447 -1.301 -2.513 156 HG LEU 21 HG LEU 21 56.831 -0.517 0.352 157 HD11 LEU 21 HD11 LEU 21 59.262 -0.023 0.416 158 HD12 LEU 21 HD12 LEU 21 59.417 -0.634 -1.232 159 HD13 LEU 21 HD13 LEU 21 58.950 -1.724 0.073 160 HD21 LEU 21 HD21 LEU 21 57.573 1.115 -2.093 161 HD22 LEU 21 HD22 LEU 21 57.877 1.700 -0.458 162 HD23 LEU 21 HD23 LEU 21 56.229 1.370 -0.980 163 H THR 22 HN THR 22 53.058 -1.061 -2.964 164 HA THR 22 HA THR 22 52.759 -3.861 -3.313 165 HB THR 22 HB THR 22 50.805 -3.227 -4.767 166 HG1 THR 22 HG1 THR 22 52.158 -1.023 -5.016 167 HG21 THR 22 HG21 THR 22 50.510 -3.459 -2.356 168 HG22 THR 22 HG22 THR 22 49.549 -2.099 -2.936 169 HG23 THR 22 HG23 THR 22 51.076 -1.808 -2.103 170 H HIS 23 HN HIS 23 54.716 -1.720 -4.912 171 HA HIS 23 HA HIS 23 55.832 -1.732 -6.920 172 HB2 HIS 23 HB2 HIS 23 56.471 -3.970 -5.887 173 HB3 HIS 23 HB1 HIS 23 55.248 -4.699 -6.926 174 HD1 HIS 23 HD1 HIS 23 57.169 -1.795 -8.250 175 HD2 HIS 23 HD2 HIS 23 57.425 -5.949 -8.403 176 HE1 HIS 23 HE1 HIS 23 58.778 -2.345 -10.126 177 H TYR 24 HN TYR 24 55.661 -2.760 -9.288 178 HA TYR 24 HA TYR 24 54.488 -2.614 -11.260 179 HB2 TYR 24 HB2 TYR 24 52.240 -3.903 -9.704 180 HB3 TYR 24 HB1 TYR 24 52.582 -4.039 -11.429 181 HD1 TYR 24 HD1 TYR 24 53.162 -5.488 -8.188 182 HD2 TYR 24 HD2 TYR 24 54.878 -5.043 -12.123 183 HE1 TYR 24 HE1 TYR 24 54.644 -7.447 -7.764 184 HE2 TYR 24 HE2 TYR 24 56.359 -7.002 -11.699 185 HH TYR 24 HH TYR 24 55.880 -9.159 -9.146 186 H LEU 25 HN LEU 25 54.200 -0.427 -9.234 187 HA LEU 25 HA LEU 25 52.998 1.509 -8.933 188 HB2 LEU 25 HB2 LEU 25 51.754 0.972 -11.633 189 HB3 LEU 25 HB1 LEU 25 52.170 2.523 -10.902 190 HG LEU 25 HG LEU 25 54.114 0.405 -11.872 191 HD11 LEU 25 HD11 LEU 25 53.017 1.781 -13.632 192 HD12 LEU 25 HD12 LEU 25 54.747 2.108 -13.515 193 HD13 LEU 25 HD13 LEU 25 53.586 3.239 -12.818 194 HD21 LEU 25 HD21 LEU 25 54.527 3.010 -10.378 195 HD22 LEU 25 HD22 LEU 25 55.808 2.259 -11.328 196 HD23 LEU 25 HD23 LEU 25 55.122 1.407 -9.947 Start of MODEL 44 1 H1 GLY 1 HT1 GLY 1 46.281 27.975 3.073 2 H2 GLY 1 HT2 GLY 1 47.203 26.716 3.745 3 H3 GLY 1 HT3 GLY 1 47.326 27.074 2.088 4 HA2 GLY 1 HA1 GLY 1 48.478 28.985 2.428 5 HA3 GLY 1 HA2 GLY 1 47.946 29.089 4.101 6 H TRP 2 HN TRP 2 48.470 26.136 4.407 7 HA TRP 2 HA TRP 2 51.295 25.769 4.034 8 HB2 TRP 2 HB2 TRP 2 51.339 27.361 5.917 9 HB3 TRP 2 HB1 TRP 2 50.295 26.285 6.845 10 HD1 TRP 2 HD1 TRP 2 53.669 26.026 4.956 11 HE1 TRP 2 HE1 TRP 2 55.235 24.496 6.318 12 HE3 TRP 2 HE3 TRP 2 50.526 24.757 8.792 13 HZ2 TRP 2 HZ2 TRP 2 55.170 22.929 8.727 14 HZ3 TRP 2 HZ3 TRP 2 51.300 23.242 10.612 15 HH2 TRP 2 HH2 TRP 2 53.618 22.328 10.582 16 H GLY 3 HN GLY 3 50.332 23.879 3.064 17 HA2 GLY 3 HA1 GLY 3 49.798 21.653 3.047 18 HA3 GLY 3 HA2 GLY 3 50.456 21.597 4.676 19 H SER 4 HN SER 4 47.859 23.783 4.152 20 HA SER 4 HA SER 4 46.196 22.483 6.053 21 HB2 SER 4 HB2 SER 4 46.049 24.881 5.752 22 HB3 SER 4 HB1 SER 4 45.604 24.682 4.059 23 HG SER 4 HG SER 4 43.736 23.541 4.819 24 H PHE 5 HN PHE 5 44.352 23.437 3.355 25 HA PHE 5 HA PHE 5 42.859 22.277 2.042 26 HB2 PHE 5 HB2 PHE 5 45.298 20.497 1.862 27 HB3 PHE 5 HB1 PHE 5 43.858 20.275 0.870 28 HD1 PHE 5 HD1 PHE 5 46.687 22.553 1.647 29 HD2 PHE 5 HD2 PHE 5 43.319 21.796 -0.946 30 HE1 PHE 5 HE1 PHE 5 47.502 24.306 0.075 31 HE2 PHE 5 HE2 PHE 5 44.136 23.548 -2.518 32 HZ PHE 5 HZ PHE 5 46.217 24.817 -1.998 33 H PHE 6 HN PHE 6 44.413 19.294 3.010 34 HA PHE 6 HA PHE 6 42.516 18.662 5.088 35 HB2 PHE 6 HB2 PHE 6 41.170 18.363 2.992 36 HB3 PHE 6 HB1 PHE 6 42.317 17.121 2.490 37 HD1 PHE 6 HD1 PHE 6 42.051 14.880 3.241 38 HD2 PHE 6 HD2 PHE 6 40.048 18.090 5.320 39 HE1 PHE 6 HE1 PHE 6 40.834 13.215 4.639 40 HE2 PHE 6 HE2 PHE 6 38.832 16.423 6.718 41 HZ PHE 6 HZ PHE 6 39.235 13.988 6.388 42 H ARG 7 HN ARG 7 45.463 18.651 4.309 43 HA ARG 7 HA ARG 7 47.327 17.352 4.662 44 HB2 ARG 7 HB2 ARG 7 45.396 15.991 6.555 45 HB3 ARG 7 HB1 ARG 7 47.143 15.746 6.551 46 HG2 ARG 7 HG2 ARG 7 47.425 18.219 6.888 47 HG3 ARG 7 HG1 ARG 7 45.676 18.346 7.069 48 HD2 ARG 7 HD2 ARG 7 45.706 16.900 9.010 49 HD3 ARG 7 HD1 ARG 7 47.417 16.543 8.772 50 HE ARG 7 HE ARG 7 47.921 18.583 9.836 51 HH11 ARG 7 HH11 ARG 7 46.175 20.152 7.853 52 HH12 ARG 7 HH12 ARG 7 45.084 20.944 8.941 53 HH21 ARG 7 HH21 ARG 7 45.864 18.895 11.629 54 HH22 ARG 7 HH22 ARG 7 44.908 20.232 11.079 55 H ARG 8 HN ARG 8 46.291 16.668 2.324 56 HA ARG 8 HA ARG 8 47.035 13.929 2.023 57 HB2 ARG 8 HB2 ARG 8 44.735 13.635 2.914 58 HB3 ARG 8 HB1 ARG 8 44.115 14.580 1.559 59 HG2 ARG 8 HG2 ARG 8 44.835 12.945 -0.036 60 HG3 ARG 8 HG1 ARG 8 45.801 12.094 1.170 61 HD2 ARG 8 HD2 ARG 8 43.804 11.401 2.361 62 HD3 ARG 8 HD1 ARG 8 42.787 12.381 1.307 63 HE ARG 8 HE ARG 8 44.223 10.588 -0.347 64 HH11 ARG 8 HH11 ARG 8 41.190 10.919 -0.128 65 HH12 ARG 8 HH12 ARG 8 40.719 9.321 0.347 66 HH21 ARG 8 HH21 ARG 8 43.923 8.362 1.262 67 HH22 ARG 8 HH22 ARG 8 42.266 7.873 1.134 68 H ALA 9 HN ALA 9 46.141 16.994 0.862 69 HA ALA 9 HA ALA 9 45.702 16.670 -1.842 70 HB1 ALA 9 HB1 ALA 9 45.615 18.844 -0.769 71 HB2 ALA 9 HB2 ALA 9 46.753 18.896 -2.116 72 HB3 ALA 9 HB3 ALA 9 47.350 18.790 -0.460 73 H ALA 10 HN ALA 10 48.900 17.790 -0.814 74 HA ALA 10 HA ALA 10 50.161 16.523 -3.066 75 HB1 ALA 10 HB1 ALA 10 52.250 17.398 -2.039 76 HB2 ALA 10 HB2 ALA 10 51.298 17.946 -0.657 77 HB3 ALA 10 HB3 ALA 10 51.011 18.635 -2.256 78 H HIS 11 HN HIS 11 48.821 14.955 -0.767 79 HA HIS 11 HA HIS 11 49.155 12.972 0.342 80 HB2 HIS 11 HB2 HIS 11 51.433 12.647 -1.624 81 HB3 HIS 11 HB1 HIS 11 50.623 11.361 -0.729 82 HD1 HIS 11 HD1 HIS 11 48.248 13.903 -1.789 83 HD2 HIS 11 HD2 HIS 11 49.970 10.549 -3.563 84 HE1 HIS 11 HE1 HIS 11 46.780 13.304 -3.763 85 H VAL 12 HN VAL 12 49.781 13.958 2.306 86 HA VAL 12 HA VAL 12 52.318 14.880 2.990 87 HB VAL 12 HB VAL 12 50.487 13.373 4.879 88 HG11 VAL 12 HG11 VAL 12 52.739 13.973 5.727 89 HG12 VAL 12 HG12 VAL 12 51.474 14.887 6.549 90 HG13 VAL 12 HG13 VAL 12 52.444 15.656 5.293 91 HG21 VAL 12 HG21 VAL 12 49.507 15.657 5.317 92 HG22 VAL 12 HG22 VAL 12 49.126 15.009 3.722 93 HG23 VAL 12 HG23 VAL 12 50.376 16.240 3.898 94 H GLY 13 HN GLY 13 50.969 11.650 3.713 95 HA2 GLY 13 HA1 GLY 13 53.086 10.114 2.839 96 HA3 GLY 13 HA2 GLY 13 53.487 10.570 4.489 97 H ARG 14 HN ARG 14 50.472 9.609 2.845 98 HA ARG 14 HA ARG 14 50.299 7.110 4.213 99 HB2 ARG 14 HB2 ARG 14 49.767 8.865 6.020 100 HB3 ARG 14 HB1 ARG 14 48.275 9.160 5.132 101 HG2 ARG 14 HG2 ARG 14 47.607 6.829 5.395 102 HG3 ARG 14 HG1 ARG 14 49.148 6.439 6.158 103 HD2 ARG 14 HD2 ARG 14 47.228 6.809 7.771 104 HD3 ARG 14 HD1 ARG 14 48.646 7.816 8.063 105 HE ARG 14 HE ARG 14 47.225 9.652 7.719 106 HH11 ARG 14 HH11 ARG 14 46.560 10.408 5.370 107 HH12 ARG 14 HH12 ARG 14 45.056 9.702 4.880 108 HH21 ARG 14 HH21 ARG 14 45.119 7.232 7.312 109 HH22 ARG 14 HH22 ARG 14 44.240 7.906 5.979 110 H HIS 15 HN HIS 15 50.157 7.651 1.569 111 HA HIS 15 HA HIS 15 47.429 7.993 0.670 112 HB2 HIS 15 HB2 HIS 15 49.353 8.738 -0.693 113 HB3 HIS 15 HB1 HIS 15 49.876 7.060 -0.850 114 HD1 HIS 15 HD1 HIS 15 49.218 6.210 -3.093 115 HD2 HIS 15 HD2 HIS 15 46.253 8.635 -1.453 116 HE1 HIS 15 HE1 HIS 15 47.309 6.230 -4.756 117 H VAL 16 HN VAL 16 46.279 6.321 1.698 118 HA VAL 16 HA VAL 16 45.423 4.204 1.968 119 HB VAL 16 HB VAL 16 46.552 3.684 -0.797 120 HG11 VAL 16 HG11 VAL 16 44.168 2.602 0.737 121 HG12 VAL 16 HG12 VAL 16 45.634 1.715 0.321 122 HG13 VAL 16 HG13 VAL 16 44.526 2.231 -0.950 123 HG21 VAL 16 HG21 VAL 16 44.353 4.555 -1.607 124 HG22 VAL 16 HG22 VAL 16 45.331 5.804 -0.833 125 HG23 VAL 16 HG23 VAL 16 43.985 5.072 0.039 126 H GLY 17 HN GLY 17 47.255 3.984 3.567 127 HA2 GLY 17 HA1 GLY 17 48.862 2.686 4.554 128 HA3 GLY 17 HA2 GLY 17 48.376 1.432 3.422 129 H ARG 18 HN ARG 18 49.862 4.597 2.799 130 HA ARG 18 HA ARG 18 51.738 5.161 1.592 131 HB2 ARG 18 HB2 ARG 18 52.715 4.155 3.702 132 HB3 ARG 18 HB1 ARG 18 52.917 2.652 2.800 133 HG2 ARG 18 HG2 ARG 18 54.306 3.831 1.137 134 HG3 ARG 18 HG1 ARG 18 54.104 5.337 2.033 135 HD2 ARG 18 HD2 ARG 18 56.262 4.158 2.544 136 HD3 ARG 18 HD1 ARG 18 55.245 4.409 3.963 137 HE ARG 18 HE ARG 18 54.765 1.830 2.707 138 HH11 ARG 18 HH11 ARG 18 57.113 0.736 3.021 139 HH12 ARG 18 HH12 ARG 18 57.502 0.630 4.705 140 HH21 ARG 18 HH21 ARG 18 55.116 2.953 5.673 141 HH22 ARG 18 HH22 ARG 18 56.371 1.884 6.207 142 H ALA 19 HN ALA 19 50.613 4.673 -0.412 143 HA ALA 19 HA ALA 19 50.470 3.715 -2.493 144 HB1 ALA 19 HB1 ALA 19 52.965 4.071 -2.284 145 HB2 ALA 19 HB2 ALA 19 52.472 2.806 -3.409 146 HB3 ALA 19 HB3 ALA 19 53.085 2.376 -1.811 147 H ALA 20 HN ALA 20 51.828 1.045 -3.024 148 HA ALA 20 HA ALA 20 50.552 -0.888 -1.350 149 HB1 ALA 20 HB1 ALA 20 48.595 0.053 -2.596 150 HB2 ALA 20 HB2 ALA 20 48.851 -1.673 -2.855 151 HB3 ALA 20 HB3 ALA 20 49.341 -0.513 -4.090 152 H LEU 21 HN LEU 21 50.123 -2.675 -3.728 153 HA LEU 21 HA LEU 21 52.803 -3.717 -3.858 154 HB2 LEU 21 HB2 LEU 21 50.493 -4.626 -5.578 155 HB3 LEU 21 HB1 LEU 21 51.854 -5.572 -4.972 156 HG LEU 21 HG LEU 21 49.580 -4.416 -3.332 157 HD11 LEU 21 HD11 LEU 21 48.971 -6.723 -2.953 158 HD12 LEU 21 HD12 LEU 21 50.423 -7.293 -3.775 159 HD13 LEU 21 HD13 LEU 21 49.146 -6.496 -4.693 160 HD21 LEU 21 HD21 LEU 21 51.528 -4.266 -1.952 161 HD22 LEU 21 HD22 LEU 21 52.149 -5.812 -2.530 162 HD23 LEU 21 HD23 LEU 21 50.736 -5.767 -1.475 163 H THR 22 HN THR 22 52.110 -1.023 -5.082 164 HA THR 22 HA THR 22 52.340 -1.278 -7.911 165 HB THR 22 HB THR 22 52.945 1.160 -7.830 166 HG1 THR 22 HG1 THR 22 53.815 0.674 -5.538 167 HG21 THR 22 HG21 THR 22 50.543 0.196 -6.262 168 HG22 THR 22 HG22 THR 22 50.613 0.585 -7.981 169 HG23 THR 22 HG23 THR 22 50.757 1.869 -6.781 170 H HIS 23 HN HIS 23 54.095 -1.453 -9.186 171 HA HIS 23 HA HIS 23 56.576 -2.281 -8.150 172 HB2 HIS 23 HB2 HIS 23 55.839 -1.200 -10.879 173 HB3 HIS 23 HB1 HIS 23 57.397 -1.929 -10.493 174 HD1 HIS 23 HD1 HIS 23 57.236 -4.475 -9.519 175 HD2 HIS 23 HD2 HIS 23 53.845 -3.045 -11.477 176 HE1 HIS 23 HE1 HIS 23 55.851 -6.505 -10.131 177 H TYR 24 HN TYR 24 57.016 -0.607 -6.558 178 HA TYR 24 HA TYR 24 58.879 1.321 -7.514 179 HB2 TYR 24 HB2 TYR 24 56.812 2.509 -8.144 180 HB3 TYR 24 HB1 TYR 24 56.254 2.412 -6.474 181 HD1 TYR 24 HD1 TYR 24 56.901 4.073 -4.893 182 HD2 TYR 24 HD2 TYR 24 59.098 3.646 -8.585 183 HE1 TYR 24 HE1 TYR 24 58.205 6.127 -4.356 184 HE2 TYR 24 HE2 TYR 24 60.400 5.701 -8.047 185 HH TYR 24 HH TYR 24 60.358 7.582 -6.770 186 H LEU 25 HN LEU 25 60.004 0.023 -5.908 187 HA LEU 25 HA LEU 25 60.077 1.322 -3.358 188 HB2 LEU 25 HB2 LEU 25 59.680 -0.998 -2.152 189 HB3 LEU 25 HB1 LEU 25 58.303 0.008 -2.595 190 HG LEU 25 HG LEU 25 57.940 -1.286 -4.622 191 HD11 LEU 25 HD11 LEU 25 59.358 -3.417 -4.904 192 HD12 LEU 25 HD12 LEU 25 60.501 -2.668 -3.791 193 HD13 LEU 25 HD13 LEU 25 60.129 -1.894 -5.332 194 HD21 LEU 25 HD21 LEU 25 57.271 -3.393 -3.604 195 HD22 LEU 25 HD22 LEU 25 57.009 -2.095 -2.438 196 HD23 LEU 25 HD23 LEU 25 58.411 -3.155 -2.279 Start of MODEL 45 1 H1 GLY 1 HT1 GLY 1 48.286 16.508 7.728 2 H2 GLY 1 HT2 GLY 1 48.039 15.278 8.874 3 H3 GLY 1 HT3 GLY 1 49.472 16.193 8.898 4 HA2 GLY 1 HA1 GLY 1 47.592 18.077 9.055 5 HA3 GLY 1 HA2 GLY 1 46.902 16.754 9.985 6 H TRP 2 HN TRP 2 50.350 17.090 9.707 7 HA TRP 2 HA TRP 2 50.765 18.697 12.021 8 HB2 TRP 2 HB2 TRP 2 51.623 16.892 13.508 9 HB3 TRP 2 HB1 TRP 2 49.887 16.774 13.219 10 HD1 TRP 2 HD1 TRP 2 53.207 15.226 12.036 11 HE1 TRP 2 HE1 TRP 2 52.731 12.853 11.146 12 HE3 TRP 2 HE3 TRP 2 48.098 15.183 12.360 13 HZ2 TRP 2 HZ2 TRP 2 50.475 11.147 10.633 14 HZ3 TRP 2 HZ3 TRP 2 46.805 13.171 11.664 15 HH2 TRP 2 HH2 TRP 2 47.987 11.156 10.801 16 H GLY 3 HN GLY 3 51.870 16.449 9.618 17 HA2 GLY 3 HA1 GLY 3 54.255 17.857 9.122 18 HA3 GLY 3 HA2 GLY 3 54.624 16.455 10.115 19 H SER 4 HN SER 4 52.578 17.177 7.279 20 HA SER 4 HA SER 4 54.035 15.404 5.578 21 HB2 SER 4 HB2 SER 4 52.185 13.752 5.260 22 HB3 SER 4 HB1 SER 4 52.936 13.666 6.850 23 HG SER 4 HG SER 4 50.516 13.741 6.662 24 H PHE 5 HN PHE 5 50.638 15.283 5.137 25 HA PHE 5 HA PHE 5 50.803 16.884 2.745 26 HB2 PHE 5 HB2 PHE 5 48.361 16.397 2.586 27 HB3 PHE 5 HB1 PHE 5 49.346 14.945 2.772 28 HD1 PHE 5 HD1 PHE 5 47.107 17.334 4.544 29 HD2 PHE 5 HD2 PHE 5 49.195 13.562 4.752 30 HE1 PHE 5 HE1 PHE 5 45.840 16.746 6.607 31 HE2 PHE 5 HE2 PHE 5 47.927 12.975 6.815 32 HZ PHE 5 HZ PHE 5 46.296 14.595 7.776 33 H PHE 6 HN PHE 6 48.633 18.357 2.514 34 HA PHE 6 HA PHE 6 48.121 20.015 4.836 35 HB2 PHE 6 HB2 PHE 6 49.726 21.077 2.497 36 HB3 PHE 6 HB1 PHE 6 48.941 22.099 3.702 37 HD1 PHE 6 HD1 PHE 6 51.755 19.856 3.009 38 HD2 PHE 6 HD2 PHE 6 49.635 21.994 6.104 39 HE1 PHE 6 HE1 PHE 6 53.690 19.548 4.549 40 HE2 PHE 6 HE2 PHE 6 51.571 21.685 7.642 41 HZ PHE 6 HZ PHE 6 53.602 20.471 6.861 42 H ARG 7 HN ARG 7 46.551 18.417 3.032 43 HA ARG 7 HA ARG 7 44.613 18.514 1.801 44 HB2 ARG 7 HB2 ARG 7 44.403 21.331 2.881 45 HB3 ARG 7 HB1 ARG 7 43.085 20.283 2.355 46 HG2 ARG 7 HG2 ARG 7 43.639 18.690 4.167 47 HG3 ARG 7 HG1 ARG 7 44.926 19.769 4.710 48 HD2 ARG 7 HD2 ARG 7 41.967 20.425 4.606 49 HD3 ARG 7 HD1 ARG 7 42.922 20.143 6.062 50 HE ARG 7 HE ARG 7 42.802 22.622 4.595 51 HH11 ARG 7 HH11 ARG 7 45.630 22.076 4.133 52 HH12 ARG 7 HH12 ARG 7 46.395 22.632 5.585 53 HH21 ARG 7 HH21 ARG 7 43.459 22.668 7.431 54 HH22 ARG 7 HH22 ARG 7 45.165 22.965 7.452 55 H ARG 8 HN ARG 8 46.875 19.000 0.307 56 HA ARG 8 HA ARG 8 45.783 20.415 -1.930 57 HB2 ARG 8 HB2 ARG 8 46.603 22.321 -0.550 58 HB3 ARG 8 HB1 ARG 8 48.223 21.628 -0.613 59 HG2 ARG 8 HG2 ARG 8 48.273 21.827 -3.036 60 HG3 ARG 8 HG1 ARG 8 46.594 22.371 -3.058 61 HD2 ARG 8 HD2 ARG 8 48.268 24.242 -3.241 62 HD3 ARG 8 HD1 ARG 8 47.171 24.401 -1.870 63 HE ARG 8 HE ARG 8 49.446 23.011 -0.938 64 HH11 ARG 8 HH11 ARG 8 51.514 24.090 -0.713 65 HH12 ARG 8 HH12 ARG 8 51.490 25.818 -0.587 66 HH21 ARG 8 HH21 ARG 8 48.145 26.100 -1.455 67 HH22 ARG 8 HH22 ARG 8 49.583 26.956 -1.008 68 H ALA 9 HN ALA 9 48.567 18.945 -0.352 69 HA ALA 9 HA ALA 9 50.235 18.533 -2.541 70 HB1 ALA 9 HB1 ALA 9 51.101 16.584 -1.262 71 HB2 ALA 9 HB2 ALA 9 49.755 16.769 -0.137 72 HB3 ALA 9 HB3 ALA 9 50.962 18.046 -0.286 73 H ALA 10 HN ALA 10 50.656 15.891 -2.954 74 HA ALA 10 HA ALA 10 48.556 15.222 -4.800 75 HB1 ALA 10 HB1 ALA 10 50.895 13.517 -3.948 76 HB2 ALA 10 HB2 ALA 10 50.997 14.782 -5.172 77 HB3 ALA 10 HB3 ALA 10 49.955 13.383 -5.434 78 H HIS 11 HN HIS 11 48.618 14.963 -1.561 79 HA HIS 11 HA HIS 11 47.946 12.328 -0.932 80 HB2 HIS 11 HB2 HIS 11 48.366 14.125 0.736 81 HB3 HIS 11 HB1 HIS 11 46.804 14.834 0.324 82 HD1 HIS 11 HD1 HIS 11 45.268 14.265 2.210 83 HD2 HIS 11 HD2 HIS 11 47.648 11.016 1.134 84 HE1 HIS 11 HE1 HIS 11 44.467 12.300 3.593 85 H VAL 12 HN VAL 12 45.682 15.031 -1.529 86 HA VAL 12 HA VAL 12 43.401 13.316 -1.686 87 HB VAL 12 HB VAL 12 42.203 15.319 -2.488 88 HG11 VAL 12 HG11 VAL 12 42.567 15.096 -0.084 89 HG12 VAL 12 HG12 VAL 12 42.718 16.793 -0.539 90 HG13 VAL 12 HG13 VAL 12 44.164 15.831 -0.231 91 HG21 VAL 12 HG21 VAL 12 43.847 16.297 -3.957 92 HG22 VAL 12 HG22 VAL 12 45.011 16.453 -2.642 93 HG23 VAL 12 HG23 VAL 12 43.561 17.457 -2.661 94 H GLY 13 HN GLY 13 45.917 13.965 -3.835 95 HA2 GLY 13 HA1 GLY 13 44.464 13.823 -6.300 96 HA3 GLY 13 HA2 GLY 13 46.205 13.681 -6.101 97 H ARG 14 HN ARG 14 47.139 11.659 -5.795 98 HA ARG 14 HA ARG 14 45.627 9.264 -5.464 99 HB2 ARG 14 HB2 ARG 14 46.096 8.325 -7.743 100 HB3 ARG 14 HB1 ARG 14 44.913 9.633 -7.739 101 HG2 ARG 14 HG2 ARG 14 46.740 11.233 -8.328 102 HG3 ARG 14 HG1 ARG 14 47.853 9.870 -8.445 103 HD2 ARG 14 HD2 ARG 14 45.417 10.422 -10.151 104 HD3 ARG 14 HD1 ARG 14 47.096 10.297 -10.674 105 HE ARG 14 HE ARG 14 46.464 7.824 -9.495 106 HH11 ARG 14 HH11 ARG 14 44.606 9.679 -11.649 107 HH12 ARG 14 HH12 ARG 14 44.435 8.425 -12.831 108 HH21 ARG 14 HH21 ARG 14 46.589 6.241 -11.213 109 HH22 ARG 14 HH22 ARG 14 45.557 6.478 -12.584 110 H HIS 15 HN HIS 15 47.909 10.430 -4.278 111 HA HIS 15 HA HIS 15 50.366 9.452 -5.231 112 HB2 HIS 15 HB2 HIS 15 50.063 11.167 -3.424 113 HB3 HIS 15 HB1 HIS 15 49.592 9.862 -2.336 114 HD1 HIS 15 HD1 HIS 15 51.492 8.988 -0.995 115 HD2 HIS 15 HD2 HIS 15 52.769 10.351 -4.720 116 HE1 HIS 15 HE1 HIS 15 54.006 8.688 -1.044 117 H VAL 16 HN VAL 16 49.882 7.305 -5.968 118 HA VAL 16 HA VAL 16 49.883 5.017 -5.789 119 HB VAL 16 HB VAL 16 50.912 5.439 -2.970 120 HG11 VAL 16 HG11 VAL 16 51.364 3.250 -5.023 121 HG12 VAL 16 HG12 VAL 16 50.300 3.125 -3.622 122 HG13 VAL 16 HG13 VAL 16 52.041 3.295 -3.395 123 HG21 VAL 16 HG21 VAL 16 53.165 5.471 -3.973 124 HG22 VAL 16 HG22 VAL 16 52.200 6.821 -4.572 125 HG23 VAL 16 HG23 VAL 16 52.453 5.401 -5.585 126 H GLY 17 HN GLY 17 47.459 5.446 -5.737 127 HA2 GLY 17 HA1 GLY 17 45.364 5.065 -4.871 128 HA3 GLY 17 HA2 GLY 17 46.130 3.634 -4.199 129 H ARG 18 HN ARG 18 46.022 7.138 -3.525 130 HA ARG 18 HA ARG 18 45.897 8.285 -1.535 131 HB2 ARG 18 HB2 ARG 18 44.132 5.967 -0.724 132 HB3 ARG 18 HB1 ARG 18 44.100 7.607 -0.075 133 HG2 ARG 18 HG2 ARG 18 43.477 8.475 -2.306 134 HG3 ARG 18 HG1 ARG 18 43.484 6.829 -2.941 135 HD2 ARG 18 HD2 ARG 18 41.192 7.518 -2.375 136 HD3 ARG 18 HD1 ARG 18 41.719 6.205 -1.324 137 HE ARG 18 HE ARG 18 42.283 8.780 -0.134 138 HH11 ARG 18 HH11 ARG 18 39.313 8.436 -1.191 139 HH12 ARG 18 HH12 ARG 18 38.540 8.030 0.305 140 HH21 ARG 18 HH21 ARG 18 41.511 7.403 1.978 141 HH22 ARG 18 HH22 ARG 18 39.784 7.445 2.098 142 H ALA 19 HN ALA 19 48.258 7.261 -1.476 143 HA ALA 19 HA ALA 19 49.959 6.328 -0.230 144 HB1 ALA 19 HB1 ALA 19 48.199 7.134 2.081 145 HB2 ALA 19 HB2 ALA 19 49.169 8.271 1.145 146 HB3 ALA 19 HB3 ALA 19 49.956 6.991 2.070 147 H ALA 20 HN ALA 20 49.298 4.164 -1.028 148 HA ALA 20 HA ALA 20 47.754 2.454 0.721 149 HB1 ALA 20 HB1 ALA 20 48.460 0.672 -0.852 150 HB2 ALA 20 HB2 ALA 20 49.483 1.846 -1.682 151 HB3 ALA 20 HB3 ALA 20 47.731 2.054 -1.670 152 H LEU 21 HN LEU 21 50.615 3.803 1.234 153 HA LEU 21 HA LEU 21 52.452 3.310 2.522 154 HB2 LEU 21 HB2 LEU 21 50.919 0.902 3.515 155 HB3 LEU 21 HB1 LEU 21 52.120 1.866 4.375 156 HG LEU 21 HG LEU 21 49.344 2.762 3.541 157 HD11 LEU 21 HD11 LEU 21 49.418 1.292 5.520 158 HD12 LEU 21 HD12 LEU 21 48.996 2.942 5.982 159 HD13 LEU 21 HD13 LEU 21 50.631 2.339 6.258 160 HD21 LEU 21 HD21 LEU 21 51.688 4.267 4.738 161 HD22 LEU 21 HD22 LEU 21 50.026 4.826 4.933 162 HD23 LEU 21 HD23 LEU 21 50.725 4.694 3.324 163 H THR 22 HN THR 22 52.495 2.368 -0.119 164 HA THR 22 HA THR 22 53.289 -0.365 -0.283 165 HB THR 22 HB THR 22 54.076 1.856 -2.187 166 HG1 THR 22 HG1 THR 22 51.690 1.286 -1.529 167 HG21 THR 22 HG21 THR 22 55.224 -0.296 -2.510 168 HG22 THR 22 HG22 THR 22 54.089 0.006 -3.825 169 HG23 THR 22 HG23 THR 22 53.668 -1.127 -2.541 170 H HIS 23 HN HIS 23 55.110 2.690 -0.165 171 HA HIS 23 HA HIS 23 57.303 3.143 0.340 172 HB2 HIS 23 HB2 HIS 23 56.512 2.056 2.486 173 HB3 HIS 23 HB1 HIS 23 57.209 0.548 1.895 174 HD1 HIS 23 HD1 HIS 23 59.550 0.181 2.646 175 HD2 HIS 23 HD2 HIS 23 58.641 4.242 2.436 176 HE1 HIS 23 HE1 HIS 23 61.629 1.419 3.392 177 H TYR 24 HN TYR 24 59.577 2.306 0.153 178 HA TYR 24 HA TYR 24 59.982 1.102 -2.350 179 HB2 TYR 24 HB2 TYR 24 61.919 1.326 -0.031 180 HB3 TYR 24 HB1 TYR 24 62.353 1.004 -1.709 181 HD1 TYR 24 HD1 TYR 24 61.221 3.546 0.698 182 HD2 TYR 24 HD2 TYR 24 62.076 2.740 -3.455 183 HE1 TYR 24 HE1 TYR 24 61.231 5.992 0.225 184 HE2 TYR 24 HE2 TYR 24 62.084 5.186 -3.928 185 HH TYR 24 HH TYR 24 61.767 7.224 -3.094 186 H LEU 25 HN LEU 25 62.090 -0.511 -0.312 187 HA LEU 25 HA LEU 25 61.106 -3.077 -1.087 188 HB2 LEU 25 HB2 LEU 25 63.544 -2.262 -0.492 189 HB3 LEU 25 HB1 LEU 25 63.093 -2.698 1.152 190 HG LEU 25 HG LEU 25 63.045 -4.525 -1.274 191 HD11 LEU 25 HD11 LEU 25 64.829 -5.720 -0.067 192 HD12 LEU 25 HD12 LEU 25 64.746 -4.539 1.239 193 HD13 LEU 25 HD13 LEU 25 65.294 -4.044 -0.363 194 HD21 LEU 25 HD21 LEU 25 62.582 -6.275 0.578 195 HD22 LEU 25 HD22 LEU 25 61.237 -5.248 0.092 196 HD23 LEU 25 HD23 LEU 25 62.114 -4.903 1.585 Start of MODEL 46 1 H1 GLY 1 HT1 GLY 1 43.536 20.898 15.718 2 H2 GLY 1 HT2 GLY 1 42.838 20.190 14.339 3 H3 GLY 1 HT3 GLY 1 42.566 21.831 14.688 4 HA2 GLY 1 HA1 GLY 1 44.174 21.396 12.900 5 HA3 GLY 1 HA2 GLY 1 44.736 22.418 14.215 6 H TRP 2 HN TRP 2 46.410 20.972 12.441 7 HA TRP 2 HA TRP 2 48.146 19.711 14.311 8 HB2 TRP 2 HB2 TRP 2 46.458 17.893 14.023 9 HB3 TRP 2 HB1 TRP 2 46.840 17.862 12.301 10 HD1 TRP 2 HD1 TRP 2 48.881 16.500 11.563 11 HE1 TRP 2 HE1 TRP 2 50.745 15.201 12.783 12 HE3 TRP 2 HE3 TRP 2 47.952 17.965 16.379 13 HZ2 TRP 2 HZ2 TRP 2 51.723 14.827 15.459 14 HZ3 TRP 2 HZ3 TRP 2 49.364 17.124 18.250 15 HH2 TRP 2 HH2 TRP 2 51.247 15.558 17.795 16 H GLY 3 HN GLY 3 47.348 21.020 11.334 17 HA2 GLY 3 HA1 GLY 3 49.939 21.581 10.533 18 HA3 GLY 3 HA2 GLY 3 49.485 20.092 9.715 19 H SER 4 HN SER 4 46.608 21.135 9.827 20 HA SER 4 HA SER 4 45.172 22.155 8.355 21 HB2 SER 4 HB2 SER 4 47.324 24.255 8.081 22 HB3 SER 4 HB1 SER 4 45.588 24.456 7.857 23 HG SER 4 HG SER 4 45.654 24.991 9.897 24 H PHE 5 HN PHE 5 46.665 20.132 7.225 25 HA PHE 5 HA PHE 5 47.946 20.970 4.793 26 HB2 PHE 5 HB2 PHE 5 47.888 18.541 4.243 27 HB3 PHE 5 HB1 PHE 5 48.597 18.874 5.823 28 HD1 PHE 5 HD1 PHE 5 45.680 17.492 4.032 29 HD2 PHE 5 HD2 PHE 5 47.401 18.333 7.900 30 HE1 PHE 5 HE1 PHE 5 43.977 16.028 5.108 31 HE2 PHE 5 HE2 PHE 5 45.696 16.870 8.977 32 HZ PHE 5 HZ PHE 5 44.035 15.655 7.572 33 H PHE 6 HN PHE 6 47.189 20.480 2.645 34 HA PHE 6 HA PHE 6 44.402 19.852 2.192 35 HB2 PHE 6 HB2 PHE 6 45.442 22.661 1.746 36 HB3 PHE 6 HB1 PHE 6 43.983 22.036 0.977 37 HD1 PHE 6 HD1 PHE 6 45.294 23.627 3.913 38 HD2 PHE 6 HD2 PHE 6 42.187 20.958 2.547 39 HE1 PHE 6 HE1 PHE 6 43.968 24.118 5.964 40 HE2 PHE 6 HE2 PHE 6 40.863 21.451 4.599 41 HZ PHE 6 HZ PHE 6 41.751 23.036 6.304 42 H ARG 7 HN ARG 7 47.618 20.463 1.187 43 HA ARG 7 HA ARG 7 47.324 18.864 -1.159 44 HB2 ARG 7 HB2 ARG 7 46.372 21.140 -1.853 45 HB3 ARG 7 HB1 ARG 7 48.017 21.758 -1.703 46 HG2 ARG 7 HG2 ARG 7 48.749 19.915 -3.281 47 HG3 ARG 7 HG1 ARG 7 47.042 19.561 -3.549 48 HD2 ARG 7 HD2 ARG 7 48.441 22.195 -4.096 49 HD3 ARG 7 HD1 ARG 7 47.825 21.063 -5.301 50 HE ARG 7 HE ARG 7 45.705 21.852 -3.529 51 HH11 ARG 7 HH11 ARG 7 46.305 24.553 -3.849 52 HH12 ARG 7 HH12 ARG 7 45.772 24.984 -5.439 53 HH21 ARG 7 HH21 ARG 7 45.614 21.707 -6.562 54 HH22 ARG 7 HH22 ARG 7 45.381 23.372 -6.975 55 H ARG 8 HN ARG 8 48.942 18.347 0.838 56 HA ARG 8 HA ARG 8 51.637 18.882 -0.238 57 HB2 ARG 8 HB2 ARG 8 51.028 19.100 2.716 58 HB3 ARG 8 HB1 ARG 8 52.538 19.487 1.889 59 HG2 ARG 8 HG2 ARG 8 51.297 21.266 0.611 60 HG3 ARG 8 HG1 ARG 8 49.896 20.948 1.634 61 HD2 ARG 8 HD2 ARG 8 51.382 21.395 3.638 62 HD3 ARG 8 HD1 ARG 8 52.616 21.952 2.508 63 HE ARG 8 HE ARG 8 50.216 23.345 1.915 64 HH11 ARG 8 HH11 ARG 8 52.104 25.261 2.095 65 HH12 ARG 8 HH12 ARG 8 52.100 25.873 3.715 66 HH21 ARG 8 HH21 ARG 8 50.394 23.152 5.021 67 HH22 ARG 8 HH22 ARG 8 51.131 24.679 5.372 68 H ALA 9 HN ALA 9 49.347 16.727 0.729 69 HA ALA 9 HA ALA 9 51.151 14.516 0.666 70 HB1 ALA 9 HB1 ALA 9 50.636 13.691 2.969 71 HB2 ALA 9 HB2 ALA 9 49.922 15.265 3.321 72 HB3 ALA 9 HB3 ALA 9 51.640 15.141 2.939 73 H ALA 10 HN ALA 10 49.149 14.870 -0.987 74 HA ALA 10 HA ALA 10 47.430 12.640 -0.505 75 HB1 ALA 10 HB1 ALA 10 46.200 14.150 0.893 76 HB2 ALA 10 HB2 ALA 10 45.294 13.956 -0.608 77 HB3 ALA 10 HB3 ALA 10 46.250 15.413 -0.336 78 H HIS 11 HN HIS 11 46.406 15.534 -2.217 79 HA HIS 11 HA HIS 11 46.130 14.108 -4.680 80 HB2 HIS 11 HB2 HIS 11 46.056 17.097 -4.210 81 HB3 HIS 11 HB1 HIS 11 45.402 16.232 -5.601 82 HD1 HIS 11 HD1 HIS 11 43.787 14.032 -4.511 83 HD2 HIS 11 HD2 HIS 11 43.901 17.744 -2.618 84 HE1 HIS 11 HE1 HIS 11 41.715 14.160 -3.059 85 H VAL 12 HN VAL 12 48.707 15.814 -3.183 86 HA VAL 12 HA VAL 12 50.131 16.819 -5.360 87 HB VAL 12 HB VAL 12 50.773 17.202 -2.984 88 HG11 VAL 12 HG11 VAL 12 50.410 14.776 -2.327 89 HG12 VAL 12 HG12 VAL 12 51.892 15.504 -1.710 90 HG13 VAL 12 HG13 VAL 12 51.956 14.414 -3.094 91 HG21 VAL 12 HG21 VAL 12 52.997 15.913 -4.600 92 HG22 VAL 12 HG22 VAL 12 53.171 17.160 -3.365 93 HG23 VAL 12 HG23 VAL 12 52.376 17.536 -4.894 94 H GLY 13 HN GLY 13 49.606 13.544 -4.349 95 HA2 GLY 13 HA1 GLY 13 50.665 12.495 -6.770 96 HA3 GLY 13 HA2 GLY 13 51.769 12.205 -5.433 97 H ARG 14 HN ARG 14 48.474 11.660 -6.582 98 HA ARG 14 HA ARG 14 47.694 9.874 -4.519 99 HB2 ARG 14 HB2 ARG 14 46.143 11.041 -6.122 100 HB3 ARG 14 HB1 ARG 14 46.685 9.920 -7.372 101 HG2 ARG 14 HG2 ARG 14 45.882 8.018 -6.091 102 HG3 ARG 14 HG1 ARG 14 45.476 9.060 -4.727 103 HD2 ARG 14 HD2 ARG 14 43.444 8.590 -5.981 104 HD3 ARG 14 HD1 ARG 14 43.870 10.287 -6.204 105 HE ARG 14 HE ARG 14 45.033 8.684 -8.295 106 HH11 ARG 14 HH11 ARG 14 42.835 7.485 -9.191 107 HH12 ARG 14 HH12 ARG 14 41.765 8.681 -9.845 108 HH21 ARG 14 HH21 ARG 14 43.326 11.333 -8.246 109 HH22 ARG 14 HH22 ARG 14 42.044 10.859 -9.309 110 H HIS 15 HN HIS 15 49.777 9.543 -7.220 111 HA HIS 15 HA HIS 15 49.517 6.843 -7.883 112 HB2 HIS 15 HB2 HIS 15 51.978 8.603 -7.827 113 HB3 HIS 15 HB1 HIS 15 51.920 7.004 -8.567 114 HD1 HIS 15 HD1 HIS 15 49.182 7.100 -9.931 115 HD2 HIS 15 HD2 HIS 15 51.888 10.269 -10.048 116 HE1 HIS 15 HE1 HIS 15 48.584 8.478 -11.970 117 H VAL 16 HN VAL 16 52.435 7.839 -6.182 118 HA VAL 16 HA VAL 16 52.682 5.349 -4.838 119 HB VAL 16 HB VAL 16 54.552 6.408 -3.621 120 HG11 VAL 16 HG11 VAL 16 54.994 5.586 -5.869 121 HG12 VAL 16 HG12 VAL 16 55.870 7.100 -5.638 122 HG13 VAL 16 HG13 VAL 16 54.375 7.080 -6.574 123 HG21 VAL 16 HG21 VAL 16 55.069 8.817 -4.207 124 HG22 VAL 16 HG22 VAL 16 53.637 8.607 -3.200 125 HG23 VAL 16 HG23 VAL 16 53.463 8.920 -4.926 126 H GLY 17 HN GLY 17 51.049 8.298 -4.074 127 HA2 GLY 17 HA1 GLY 17 50.996 8.147 -1.270 128 HA3 GLY 17 HA2 GLY 17 49.797 8.955 -2.271 129 H ARG 18 HN ARG 18 48.404 7.214 -3.541 130 HA ARG 18 HA ARG 18 46.737 5.972 -1.694 131 HB2 ARG 18 HB2 ARG 18 46.137 6.487 -4.056 132 HB3 ARG 18 HB1 ARG 18 47.151 5.142 -4.575 133 HG2 ARG 18 HG2 ARG 18 45.780 3.554 -3.376 134 HG3 ARG 18 HG1 ARG 18 44.855 4.852 -2.621 135 HD2 ARG 18 HD2 ARG 18 44.983 4.427 -5.616 136 HD3 ARG 18 HD1 ARG 18 43.708 3.761 -4.595 137 HE ARG 18 HE ARG 18 43.935 6.529 -5.434 138 HH11 ARG 18 HH11 ARG 18 42.707 4.265 -3.151 139 HH12 ARG 18 HH12 ARG 18 41.613 5.392 -2.421 140 HH21 ARG 18 HH21 ARG 18 42.616 8.057 -4.397 141 HH22 ARG 18 HH22 ARG 18 41.561 7.537 -3.125 142 H ALA 19 HN ALA 19 48.651 4.110 -4.050 143 HA ALA 19 HA ALA 19 48.592 1.736 -2.495 144 HB1 ALA 19 HB1 ALA 19 50.351 2.573 -4.803 145 HB2 ALA 19 HB2 ALA 19 48.879 1.605 -4.882 146 HB3 ALA 19 HB3 ALA 19 50.325 0.949 -4.114 147 H ALA 20 HN ALA 20 49.293 2.619 -0.420 148 HA ALA 20 HA ALA 20 51.987 3.565 -0.087 149 HB1 ALA 20 HB1 ALA 20 50.112 4.185 1.419 150 HB2 ALA 20 HB2 ALA 20 51.496 3.510 2.281 151 HB3 ALA 20 HB3 ALA 20 50.065 2.518 1.995 152 H LEU 21 HN LEU 21 50.307 0.518 0.705 153 HA LEU 21 HA LEU 21 52.735 -0.782 1.564 154 HB2 LEU 21 HB2 LEU 21 50.155 -2.165 0.819 155 HB3 LEU 21 HB1 LEU 21 51.378 -2.678 1.981 156 HG LEU 21 HG LEU 21 49.531 -0.287 2.245 157 HD11 LEU 21 HD11 LEU 21 48.554 -2.564 2.661 158 HD12 LEU 21 HD12 LEU 21 48.558 -1.529 4.089 159 HD13 LEU 21 HD13 LEU 21 49.765 -2.803 3.920 160 HD21 LEU 21 HD21 LEU 21 51.871 -1.244 3.917 161 HD22 LEU 21 HD22 LEU 21 50.597 -0.228 4.594 162 HD23 LEU 21 HD23 LEU 21 51.586 0.369 3.264 163 H THR 22 HN THR 22 53.253 0.237 -0.915 164 HA THR 22 HA THR 22 52.787 -1.645 -3.022 165 HB THR 22 HB THR 22 53.248 0.498 -3.861 166 HG1 THR 22 HG1 THR 22 54.569 -0.969 -4.930 167 HG21 THR 22 HG21 THR 22 55.287 1.797 -3.041 168 HG22 THR 22 HG22 THR 22 55.409 0.606 -1.747 169 HG23 THR 22 HG23 THR 22 53.971 1.617 -1.883 170 H HIS 23 HN HIS 23 53.521 -3.676 -2.624 171 HA HIS 23 HA HIS 23 54.981 -5.408 -2.215 172 HB2 HIS 23 HB2 HIS 23 56.948 -3.454 -3.433 173 HB3 HIS 23 HB1 HIS 23 57.161 -5.200 -3.307 174 HD1 HIS 23 HD1 HIS 23 54.954 -2.626 -5.003 175 HD2 HIS 23 HD2 HIS 23 55.798 -6.699 -5.259 176 HE1 HIS 23 HE1 HIS 23 53.847 -3.456 -7.124 177 H TYR 24 HN TYR 24 57.556 -5.634 -1.454 178 HA TYR 24 HA TYR 24 57.492 -5.080 1.306 179 HB2 TYR 24 HB2 TYR 24 59.908 -5.678 -0.419 180 HB3 TYR 24 HB1 TYR 24 59.807 -5.853 1.332 181 HD1 TYR 24 HD1 TYR 24 57.822 -7.343 2.235 182 HD2 TYR 24 HD2 TYR 24 59.393 -7.553 -1.781 183 HE1 TYR 24 HE1 TYR 24 56.868 -9.631 1.980 184 HE2 TYR 24 HE2 TYR 24 58.440 -9.840 -2.033 185 HH TYR 24 HH TYR 24 57.957 -11.754 0.138 186 H LEU 25 HN LEU 25 58.821 -3.312 -1.417 187 HA LEU 25 HA LEU 25 60.367 -1.471 0.135 188 HB2 LEU 25 HB2 LEU 25 59.262 -0.910 -2.620 189 HB3 LEU 25 HB1 LEU 25 60.770 -0.340 -1.902 190 HG LEU 25 HG LEU 25 60.119 -3.193 -2.701 191 HD11 LEU 25 HD11 LEU 25 62.196 -1.245 -3.746 192 HD12 LEU 25 HD12 LEU 25 60.670 -1.610 -4.551 193 HD13 LEU 25 HD13 LEU 25 61.887 -2.872 -4.355 194 HD21 LEU 25 HD21 LEU 25 62.601 -3.515 -2.104 195 HD22 LEU 25 HD22 LEU 25 61.489 -3.346 -0.747 196 HD23 LEU 25 HD23 LEU 25 62.485 -1.978 -1.246 Start of MODEL 47 1 H1 GLY 1 HT1 GLY 1 45.269 24.190 2.581 2 H2 GLY 1 HT2 GLY 1 45.109 25.352 3.811 3 H3 GLY 1 HT3 GLY 1 45.983 25.716 2.401 4 HA2 GLY 1 HA1 GLY 1 44.154 26.656 1.703 5 HA3 GLY 1 HA2 GLY 1 43.640 25.005 1.393 6 H TRP 2 HN TRP 2 42.579 23.877 3.257 7 HA TRP 2 HA TRP 2 41.437 25.417 5.377 8 HB2 TRP 2 HB2 TRP 2 40.109 26.283 3.462 9 HB3 TRP 2 HB1 TRP 2 39.574 24.637 3.123 10 HD1 TRP 2 HD1 TRP 2 39.478 27.229 5.982 11 HE1 TRP 2 HE1 TRP 2 37.353 26.814 7.382 12 HE3 TRP 2 HE3 TRP 2 37.707 23.029 3.652 13 HZ2 TRP 2 HZ2 TRP 2 35.174 24.944 7.504 14 HZ3 TRP 2 HZ3 TRP 2 35.601 21.947 4.427 15 HH2 TRP 2 HH2 TRP 2 34.335 22.900 6.349 16 H GLY 3 HN GLY 3 40.504 22.690 3.262 17 HA2 GLY 3 HA1 GLY 3 39.351 21.064 5.170 18 HA3 GLY 3 HA2 GLY 3 40.162 20.471 3.727 19 H SER 4 HN SER 4 42.774 21.318 4.288 20 HA SER 4 HA SER 4 44.672 20.483 5.283 21 HB2 SER 4 HB2 SER 4 43.029 20.641 7.816 22 HB3 SER 4 HB1 SER 4 44.784 20.703 7.677 23 HG SER 4 HG SER 4 44.637 22.743 7.194 24 H PHE 5 HN PHE 5 44.419 18.427 4.216 25 HA PHE 5 HA PHE 5 43.043 16.250 5.471 26 HB2 PHE 5 HB2 PHE 5 45.140 16.322 3.290 27 HB3 PHE 5 HB1 PHE 5 44.288 14.864 3.799 28 HD1 PHE 5 HD1 PHE 5 43.988 18.113 2.077 29 HD2 PHE 5 HD2 PHE 5 41.879 14.577 3.377 30 HE1 PHE 5 HE1 PHE 5 42.067 18.717 0.608 31 HE2 PHE 5 HE2 PHE 5 39.960 15.181 1.906 32 HZ PHE 5 HZ PHE 5 40.045 17.264 0.541 33 H PHE 6 HN PHE 6 46.405 15.890 4.558 34 HA PHE 6 HA PHE 6 46.994 14.569 7.084 35 HB2 PHE 6 HB2 PHE 6 47.826 13.719 4.878 36 HB3 PHE 6 HB1 PHE 6 48.841 15.157 4.759 37 HD1 PHE 6 HD1 PHE 6 48.201 12.046 6.689 38 HD2 PHE 6 HD2 PHE 6 50.839 15.413 6.114 39 HE1 PHE 6 HE1 PHE 6 49.919 10.943 8.116 40 HE2 PHE 6 HE2 PHE 6 52.558 14.309 7.541 41 HZ PHE 6 HZ PHE 6 52.084 12.091 8.572 42 H ARG 7 HN ARG 7 47.668 17.593 5.468 43 HA ARG 7 HA ARG 7 48.408 18.903 7.881 44 HB2 ARG 7 HB2 ARG 7 50.501 17.611 7.475 45 HB3 ARG 7 HB1 ARG 7 50.663 18.425 5.918 46 HG2 ARG 7 HG2 ARG 7 50.828 20.589 6.998 47 HG3 ARG 7 HG1 ARG 7 50.477 19.876 8.573 48 HD2 ARG 7 HD2 ARG 7 52.906 19.280 6.856 49 HD3 ARG 7 HD1 ARG 7 52.893 20.250 8.329 50 HE ARG 7 HE ARG 7 51.825 17.825 9.133 51 HH11 ARG 7 HH11 ARG 7 54.716 19.011 7.685 52 HH12 ARG 7 HH12 ARG 7 55.680 17.659 8.183 53 HH21 ARG 7 HH21 ARG 7 53.041 15.999 9.699 54 HH22 ARG 7 HH22 ARG 7 54.731 15.954 9.323 55 H ARG 8 HN ARG 8 48.039 18.756 4.453 56 HA ARG 8 HA ARG 8 46.996 21.392 4.288 57 HB2 ARG 8 HB2 ARG 8 49.358 22.042 4.467 58 HB3 ARG 8 HB1 ARG 8 49.758 20.995 3.107 59 HG2 ARG 8 HG2 ARG 8 48.440 22.323 1.592 60 HG3 ARG 8 HG1 ARG 8 47.743 23.249 2.923 61 HD2 ARG 8 HD2 ARG 8 50.672 23.229 2.135 62 HD3 ARG 8 HD1 ARG 8 49.528 24.529 1.798 63 HE ARG 8 HE ARG 8 50.835 24.035 4.344 64 HH11 ARG 8 HH11 ARG 8 49.505 24.595 6.231 65 HH12 ARG 8 HH12 ARG 8 48.394 25.905 6.018 66 HH21 ARG 8 HH21 ARG 8 48.744 25.995 2.571 67 HH22 ARG 8 HH22 ARG 8 47.962 26.697 3.947 68 H ALA 9 HN ALA 9 49.054 19.905 1.832 69 HA ALA 9 HA ALA 9 47.002 18.441 0.519 70 HB1 ALA 9 HB1 ALA 9 46.053 20.579 -0.016 71 HB2 ALA 9 HB2 ALA 9 46.810 19.944 -1.477 72 HB3 ALA 9 HB3 ALA 9 47.618 21.200 -0.538 73 H ALA 10 HN ALA 10 47.810 18.515 -2.079 74 HA ALA 10 HA ALA 10 49.388 17.606 -3.480 75 HB1 ALA 10 HB1 ALA 10 50.377 19.876 -3.004 76 HB2 ALA 10 HB2 ALA 10 51.543 18.638 -3.470 77 HB3 ALA 10 HB3 ALA 10 51.378 19.103 -1.777 78 H HIS 11 HN HIS 11 48.947 16.585 -0.498 79 HA HIS 11 HA HIS 11 49.656 14.798 0.761 80 HB2 HIS 11 HB2 HIS 11 50.887 13.859 -1.839 81 HB3 HIS 11 HB1 HIS 11 50.426 12.861 -0.461 82 HD1 HIS 11 HD1 HIS 11 47.783 15.044 -0.365 83 HD2 HIS 11 HD2 HIS 11 48.836 12.210 -3.232 84 HE1 HIS 11 HE1 HIS 11 45.660 14.473 -1.621 85 H VAL 12 HN VAL 12 51.095 16.120 1.991 86 HA VAL 12 HA VAL 12 53.817 16.527 1.228 87 HB VAL 12 HB VAL 12 52.728 16.572 4.057 88 HG11 VAL 12 HG11 VAL 12 55.002 18.017 2.660 89 HG12 VAL 12 HG12 VAL 12 55.165 16.730 3.854 90 HG13 VAL 12 HG13 VAL 12 54.503 18.295 4.328 91 HG21 VAL 12 HG21 VAL 12 51.272 17.924 2.599 92 HG22 VAL 12 HG22 VAL 12 52.683 18.755 1.946 93 HG23 VAL 12 HG23 VAL 12 52.241 18.967 3.640 94 H GLY 13 HN GLY 13 54.169 14.216 0.588 95 HA2 GLY 13 HA1 GLY 13 55.882 12.918 2.344 96 HA3 GLY 13 HA2 GLY 13 54.307 12.163 2.538 97 H ARG 14 HN ARG 14 53.268 11.992 0.097 98 HA ARG 14 HA ARG 14 53.286 10.669 -1.782 99 HB2 ARG 14 HB2 ARG 14 56.145 11.644 -1.991 100 HB3 ARG 14 HB1 ARG 14 55.169 10.977 -3.300 101 HG2 ARG 14 HG2 ARG 14 53.515 12.841 -2.906 102 HG3 ARG 14 HG1 ARG 14 54.674 13.551 -1.782 103 HD2 ARG 14 HD2 ARG 14 54.882 14.541 -4.044 104 HD3 ARG 14 HD1 ARG 14 56.352 13.689 -3.574 105 HE ARG 14 HE ARG 14 55.972 12.220 -5.371 106 HH11 ARG 14 HH11 ARG 14 53.839 14.538 -5.990 107 HH12 ARG 14 HH12 ARG 14 52.543 13.539 -6.560 108 HH21 ARG 14 HH21 ARG 14 53.965 10.588 -5.423 109 HH22 ARG 14 HH22 ARG 14 52.614 11.304 -6.239 110 H HIS 15 HN HIS 15 54.537 8.825 -2.904 111 HA HIS 15 HA HIS 15 55.236 6.642 -2.710 112 HB2 HIS 15 HB2 HIS 15 57.232 8.020 -0.898 113 HB3 HIS 15 HB1 HIS 15 57.389 6.360 -1.474 114 HD1 HIS 15 HD1 HIS 15 58.562 9.586 -2.293 115 HD2 HIS 15 HD2 HIS 15 57.089 6.416 -4.562 116 HE1 HIS 15 HE1 HIS 15 59.325 9.993 -4.673 117 H VAL 16 HN VAL 16 56.346 7.311 0.538 118 HA VAL 16 HA VAL 16 54.994 5.108 1.661 119 HB VAL 16 HB VAL 16 57.021 6.145 2.673 120 HG11 VAL 16 HG11 VAL 16 56.209 8.516 2.252 121 HG12 VAL 16 HG12 VAL 16 56.893 8.230 3.853 122 HG13 VAL 16 HG13 VAL 16 55.144 8.318 3.643 123 HG21 VAL 16 HG21 VAL 16 56.307 5.886 4.982 124 HG22 VAL 16 HG22 VAL 16 55.429 4.718 3.997 125 HG23 VAL 16 HG23 VAL 16 54.627 6.190 4.542 126 H GLY 17 HN GLY 17 54.123 8.492 1.325 127 HA2 GLY 17 HA1 GLY 17 51.915 8.448 3.117 128 HA3 GLY 17 HA2 GLY 17 52.226 9.658 1.880 129 H ARG 18 HN ARG 18 52.168 8.153 -0.418 130 HA ARG 18 HA ARG 18 49.355 7.840 -0.812 131 HB2 ARG 18 HB2 ARG 18 51.004 8.612 -2.560 132 HB3 ARG 18 HB1 ARG 18 51.573 6.945 -2.663 133 HG2 ARG 18 HG2 ARG 18 49.338 6.182 -3.292 134 HG3 ARG 18 HG1 ARG 18 48.702 7.816 -3.101 135 HD2 ARG 18 HD2 ARG 18 50.930 7.124 -5.031 136 HD3 ARG 18 HD1 ARG 18 49.228 7.159 -5.490 137 HE ARG 18 HE ARG 18 50.061 9.624 -4.196 138 HH11 ARG 18 HH11 ARG 18 52.073 9.362 -6.359 139 HH12 ARG 18 HH12 ARG 18 51.265 10.070 -7.718 140 HH21 ARG 18 HH21 ARG 18 48.115 9.879 -6.283 141 HH22 ARG 18 HH22 ARG 18 49.025 10.363 -7.675 142 H ALA 19 HN ALA 19 51.925 5.715 0.089 143 HA ALA 19 HA ALA 19 52.009 3.464 0.529 144 HB1 ALA 19 HB1 ALA 19 50.028 2.475 1.469 145 HB2 ALA 19 HB2 ALA 19 49.005 3.697 0.714 146 HB3 ALA 19 HB3 ALA 19 50.115 4.151 2.008 147 H ALA 20 HN ALA 20 52.650 2.291 -1.173 148 HA ALA 20 HA ALA 20 50.733 0.902 -2.775 149 HB1 ALA 20 HB1 ALA 20 51.368 1.822 -4.950 150 HB2 ALA 20 HB2 ALA 20 52.416 2.997 -4.155 151 HB3 ALA 20 HB3 ALA 20 50.669 3.073 -3.922 152 H LEU 21 HN LEU 21 53.089 0.445 -1.056 153 HA LEU 21 HA LEU 21 55.372 -0.275 -2.516 154 HB2 LEU 21 HB2 LEU 21 54.187 -1.284 0.074 155 HB3 LEU 21 HB1 LEU 21 55.681 -1.961 -0.571 156 HG LEU 21 HG LEU 21 56.692 0.295 -0.597 157 HD11 LEU 21 HD11 LEU 21 54.865 1.780 -0.892 158 HD12 LEU 21 HD12 LEU 21 55.391 2.075 0.761 159 HD13 LEU 21 HD13 LEU 21 53.965 1.081 0.454 160 HD21 LEU 21 HD21 LEU 21 56.949 0.515 1.820 161 HD22 LEU 21 HD22 LEU 21 56.868 -1.196 1.404 162 HD23 LEU 21 HD23 LEU 21 55.458 -0.388 2.090 163 H THR 22 HN THR 22 52.285 -1.850 -2.135 164 HA THR 22 HA THR 22 53.098 -4.434 -3.054 165 HB THR 22 HB THR 22 50.716 -4.915 -3.257 166 HG1 THR 22 HG1 THR 22 49.607 -2.678 -2.469 167 HG21 THR 22 HG21 THR 22 51.637 -4.898 -0.992 168 HG22 THR 22 HG22 THR 22 49.985 -4.285 -0.967 169 HG23 THR 22 HG23 THR 22 51.342 -3.164 -0.864 170 H HIS 23 HN HIS 23 54.413 -3.487 -4.882 171 HA HIS 23 HA HIS 23 53.068 -2.392 -7.156 172 HB2 HIS 23 HB2 HIS 23 55.198 -2.723 -8.312 173 HB3 HIS 23 HB1 HIS 23 55.471 -2.017 -6.720 174 HD1 HIS 23 HD1 HIS 23 57.803 -3.512 -7.907 175 HD2 HIS 23 HD2 HIS 23 54.860 -5.463 -5.694 176 HE1 HIS 23 HE1 HIS 23 58.862 -5.636 -7.023 177 H TYR 24 HN TYR 24 52.506 -5.233 -5.882 178 HA TYR 24 HA TYR 24 51.777 -7.277 -6.633 179 HB2 TYR 24 HB2 TYR 24 51.378 -5.912 -9.299 180 HB3 TYR 24 HB1 TYR 24 50.473 -7.266 -8.622 181 HD1 TYR 24 HD1 TYR 24 50.746 -3.651 -8.818 182 HD2 TYR 24 HD2 TYR 24 49.083 -6.899 -6.511 183 HE1 TYR 24 HE1 TYR 24 49.152 -2.069 -7.740 184 HE2 TYR 24 HE2 TYR 24 47.488 -5.317 -5.433 185 HH TYR 24 HH TYR 24 47.478 -1.842 -6.271 186 H LEU 25 HN LEU 25 53.537 -8.597 -6.614 187 HA LEU 25 HA LEU 25 55.731 -8.455 -8.369 188 HB2 LEU 25 HB2 LEU 25 55.377 -9.781 -6.123 189 HB3 LEU 25 HB1 LEU 25 54.818 -11.074 -7.178 190 HG LEU 25 HG LEU 25 57.520 -9.692 -7.311 191 HD11 LEU 25 HD11 LEU 25 56.733 -12.523 -6.551 192 HD12 LEU 25 HD12 LEU 25 57.253 -11.269 -5.425 193 HD13 LEU 25 HD13 LEU 25 58.380 -11.898 -6.627 194 HD21 LEU 25 HD21 LEU 25 56.188 -11.761 -9.078 195 HD22 LEU 25 HD22 LEU 25 57.945 -11.645 -8.971 196 HD23 LEU 25 HD23 LEU 25 57.009 -10.274 -9.556 Start of MODEL 48 1 H1 GLY 1 HT1 GLY 1 40.155 16.021 4.696 2 H2 GLY 1 HT2 GLY 1 39.862 16.400 6.326 3 H3 GLY 1 HT3 GLY 1 41.201 17.067 5.522 4 HA2 GLY 1 HA1 GLY 1 39.324 17.905 3.932 5 HA3 GLY 1 HA2 GLY 1 38.412 17.792 5.432 6 H TRP 2 HN TRP 2 41.497 18.259 6.380 7 HA TRP 2 HA TRP 2 41.918 21.024 5.858 8 HB2 TRP 2 HB2 TRP 2 41.456 21.817 8.205 9 HB3 TRP 2 HB1 TRP 2 40.014 21.419 7.270 10 HD1 TRP 2 HD1 TRP 2 42.306 19.926 9.978 11 HE1 TRP 2 HE1 TRP 2 40.950 18.210 11.342 12 HE3 TRP 2 HE3 TRP 2 37.939 19.946 7.306 13 HZ2 TRP 2 HZ2 TRP 2 38.346 16.995 11.312 14 HZ3 TRP 2 HZ3 TRP 2 36.032 18.500 7.993 15 HH2 TRP 2 HH2 TRP 2 36.230 17.025 9.991 16 H GLY 3 HN GLY 3 43.899 21.721 6.629 17 HA2 GLY 3 HA1 GLY 3 45.967 21.610 7.632 18 HA3 GLY 3 HA2 GLY 3 45.351 20.327 8.665 19 H SER 4 HN SER 4 44.495 18.827 6.185 20 HA SER 4 HA SER 4 46.884 18.202 4.731 21 HB2 SER 4 HB2 SER 4 45.986 16.305 6.909 22 HB3 SER 4 HB1 SER 4 47.091 15.864 5.610 23 HG SER 4 HG SER 4 48.552 16.656 6.898 24 H PHE 5 HN PHE 5 46.515 15.987 3.551 25 HA PHE 5 HA PHE 5 45.283 14.905 1.942 26 HB2 PHE 5 HB2 PHE 5 44.265 13.974 4.042 27 HB3 PHE 5 HB1 PHE 5 43.009 15.206 3.917 28 HD1 PHE 5 HD1 PHE 5 41.174 14.958 2.384 29 HD2 PHE 5 HD2 PHE 5 44.578 12.316 2.145 30 HE1 PHE 5 HE1 PHE 5 39.946 13.523 0.759 31 HE2 PHE 5 HE2 PHE 5 43.350 10.881 0.520 32 HZ PHE 5 HZ PHE 5 41.040 11.494 -0.185 33 H PHE 6 HN PHE 6 45.274 16.445 0.322 34 HA PHE 6 HA PHE 6 42.721 17.547 -0.366 35 HB2 PHE 6 HB2 PHE 6 43.516 19.230 1.295 36 HB3 PHE 6 HB1 PHE 6 44.926 19.518 0.276 37 HD1 PHE 6 HD1 PHE 6 44.696 20.558 -1.958 38 HD2 PHE 6 HD2 PHE 6 41.294 20.000 0.638 39 HE1 PHE 6 HE1 PHE 6 43.369 22.136 -3.357 40 HE2 PHE 6 HE2 PHE 6 39.967 21.577 -0.761 41 HZ PHE 6 HZ PHE 6 40.983 22.588 -2.800 42 H ARG 7 HN ARG 7 46.184 18.228 -0.920 43 HA ARG 7 HA ARG 7 45.814 18.517 -3.760 44 HB2 ARG 7 HB2 ARG 7 47.591 19.683 -2.384 45 HB3 ARG 7 HB1 ARG 7 48.420 18.130 -2.274 46 HG2 ARG 7 HG2 ARG 7 48.466 18.012 -4.762 47 HG3 ARG 7 HG1 ARG 7 47.726 19.612 -4.829 48 HD2 ARG 7 HD2 ARG 7 49.667 20.461 -3.443 49 HD3 ARG 7 HD1 ARG 7 50.431 18.888 -3.674 50 HE ARG 7 HE ARG 7 49.818 19.696 -6.250 51 HH11 ARG 7 HH11 ARG 7 52.595 19.583 -4.840 52 HH12 ARG 7 HH12 ARG 7 53.197 21.158 -5.240 53 HH21 ARG 7 HH21 ARG 7 50.104 22.380 -6.223 54 HH22 ARG 7 HH22 ARG 7 51.787 22.741 -6.022 55 H ARG 8 HN ARG 8 46.635 15.929 -1.580 56 HA ARG 8 HA ARG 8 47.075 13.698 -1.908 57 HB2 ARG 8 HB2 ARG 8 45.685 14.175 -4.554 58 HB3 ARG 8 HB1 ARG 8 45.905 12.621 -3.749 59 HG2 ARG 8 HG2 ARG 8 44.557 13.399 -1.845 60 HG3 ARG 8 HG1 ARG 8 44.351 14.969 -2.621 61 HD2 ARG 8 HD2 ARG 8 43.270 13.815 -4.560 62 HD3 ARG 8 HD1 ARG 8 43.370 12.297 -3.666 63 HE ARG 8 HE ARG 8 42.060 13.994 -1.915 64 HH11 ARG 8 HH11 ARG 8 39.919 12.838 -1.902 65 HH12 ARG 8 HH12 ARG 8 38.957 13.086 -3.320 66 HH21 ARG 8 HH21 ARG 8 41.569 14.406 -5.180 67 HH22 ARG 8 HH22 ARG 8 39.891 13.975 -5.176 68 H ALA 9 HN ALA 9 49.225 15.335 -2.460 69 HA ALA 9 HA ALA 9 50.794 13.650 -4.152 70 HB1 ALA 9 HB1 ALA 9 49.645 14.940 -5.894 71 HB2 ALA 9 HB2 ALA 9 51.368 15.316 -5.853 72 HB3 ALA 9 HB3 ALA 9 50.203 16.439 -5.152 73 H ALA 10 HN ALA 10 50.361 16.445 -2.154 74 HA ALA 10 HA ALA 10 53.104 17.248 -2.039 75 HB1 ALA 10 HB1 ALA 10 51.367 18.823 -1.468 76 HB2 ALA 10 HB2 ALA 10 52.360 18.532 -0.040 77 HB3 ALA 10 HB3 ALA 10 50.778 17.767 -0.184 78 H HIS 11 HN HIS 11 51.591 16.630 1.010 79 HA HIS 11 HA HIS 11 53.852 15.104 1.922 80 HB2 HIS 11 HB2 HIS 11 52.486 14.936 4.039 81 HB3 HIS 11 HB1 HIS 11 52.799 16.583 3.489 82 HD1 HIS 11 HD1 HIS 11 50.756 17.447 1.728 83 HD2 HIS 11 HD2 HIS 11 49.822 14.654 4.675 84 HE1 HIS 11 HE1 HIS 11 48.237 17.499 1.992 85 H VAL 12 HN VAL 12 50.422 14.377 1.293 86 HA VAL 12 HA VAL 12 50.365 11.726 2.120 87 HB VAL 12 HB VAL 12 48.926 12.898 -0.282 88 HG11 VAL 12 HG11 VAL 12 48.770 10.501 -0.340 89 HG12 VAL 12 HG12 VAL 12 47.252 11.086 0.339 90 HG13 VAL 12 HG13 VAL 12 48.491 10.415 1.400 91 HG21 VAL 12 HG21 VAL 12 48.162 12.715 2.651 92 HG22 VAL 12 HG22 VAL 12 47.073 13.225 1.361 93 HG23 VAL 12 HG23 VAL 12 48.494 14.194 1.751 94 H GLY 13 HN GLY 13 51.548 13.113 -0.899 95 HA2 GLY 13 HA1 GLY 13 51.862 10.761 -2.378 96 HA3 GLY 13 HA2 GLY 13 52.811 12.226 -2.592 97 H ARG 14 HN ARG 14 54.368 12.506 -0.528 98 HA ARG 14 HA ARG 14 56.186 10.255 -0.693 99 HB2 ARG 14 HB2 ARG 14 56.408 12.809 0.917 100 HB3 ARG 14 HB1 ARG 14 57.711 11.674 0.563 101 HG2 ARG 14 HG2 ARG 14 57.482 12.118 -1.837 102 HG3 ARG 14 HG1 ARG 14 56.131 13.207 -1.522 103 HD2 ARG 14 HD2 ARG 14 58.927 13.596 -0.417 104 HD3 ARG 14 HD1 ARG 14 58.301 14.411 -1.852 105 HE ARG 14 HE ARG 14 56.557 14.800 0.425 106 HH11 ARG 14 HH11 ARG 14 56.480 17.159 -0.822 107 HH12 ARG 14 HH12 ARG 14 57.792 18.135 -0.252 108 HH21 ARG 14 HH21 ARG 14 59.563 15.460 1.063 109 HH22 ARG 14 HH22 ARG 14 59.535 17.174 0.817 110 H HIS 15 HN HIS 15 54.095 9.131 0.431 111 HA HIS 15 HA HIS 15 54.047 9.348 3.310 112 HB2 HIS 15 HB2 HIS 15 52.047 8.696 2.003 113 HB3 HIS 15 HB1 HIS 15 52.873 7.219 1.504 114 HD1 HIS 15 HD1 HIS 15 53.322 8.529 4.984 115 HD2 HIS 15 HD2 HIS 15 51.169 5.536 3.042 116 HE1 HIS 15 HE1 HIS 15 52.341 7.060 6.798 117 H VAL 16 HN VAL 16 56.176 8.928 3.979 118 HA VAL 16 HA VAL 16 57.988 7.651 4.590 119 HB VAL 16 HB VAL 16 56.063 5.313 4.443 120 HG11 VAL 16 HG11 VAL 16 57.464 4.440 6.263 121 HG12 VAL 16 HG12 VAL 16 58.447 5.903 6.228 122 HG13 VAL 16 HG13 VAL 16 58.460 4.799 4.853 123 HG21 VAL 16 HG21 VAL 16 56.479 7.310 6.693 124 HG22 VAL 16 HG22 VAL 16 55.451 5.879 6.762 125 HG23 VAL 16 HG23 VAL 16 55.041 7.207 5.676 126 H GLY 17 HN GLY 17 58.667 8.157 2.273 127 HA2 GLY 17 HA1 GLY 17 59.886 7.431 0.468 128 HA3 GLY 17 HA2 GLY 17 59.784 5.805 1.129 129 H ARG 18 HN ARG 18 57.254 8.054 0.035 130 HA ARG 18 HA ARG 18 55.482 7.732 -1.398 131 HB2 ARG 18 HB2 ARG 18 57.686 6.326 -2.924 132 HB3 ARG 18 HB1 ARG 18 56.113 6.743 -3.604 133 HG2 ARG 18 HG2 ARG 18 56.516 9.117 -3.153 134 HG3 ARG 18 HG1 ARG 18 58.061 8.730 -2.397 135 HD2 ARG 18 HD2 ARG 18 58.550 9.417 -4.646 136 HD3 ARG 18 HD1 ARG 18 58.749 7.664 -4.598 137 HE ARG 18 HE ARG 18 56.108 8.018 -5.373 138 HH11 ARG 18 HH11 ARG 18 58.600 7.094 -7.034 139 HH12 ARG 18 HH12 ARG 18 58.403 8.097 -8.432 140 HH21 ARG 18 HH21 ARG 18 56.092 10.199 -6.927 141 HH22 ARG 18 HH22 ARG 18 56.983 9.854 -8.373 142 H ALA 19 HN ALA 19 55.605 5.875 0.729 143 HA ALA 19 HA ALA 19 54.768 3.846 1.413 144 HB1 ALA 19 HB1 ALA 19 52.798 3.082 0.245 145 HB2 ALA 19 HB2 ALA 19 53.242 4.009 -1.189 146 HB3 ALA 19 HB3 ALA 19 52.779 4.845 0.294 147 H ALA 20 HN ALA 20 54.192 1.504 0.421 148 HA ALA 20 HA ALA 20 55.822 0.635 -1.761 149 HB1 ALA 20 HB1 ALA 20 57.512 -0.569 -0.576 150 HB2 ALA 20 HB2 ALA 20 56.769 -0.195 0.980 151 HB3 ALA 20 HB3 ALA 20 57.529 1.086 0.036 152 H LEU 21 HN LEU 21 53.526 0.202 0.678 153 HA LEU 21 HA LEU 21 53.283 -2.653 0.591 154 HB2 LEU 21 HB2 LEU 21 51.492 -0.422 1.560 155 HB3 LEU 21 HB1 LEU 21 50.963 -2.102 1.584 156 HG LEU 21 HG LEU 21 52.859 -2.717 3.000 157 HD11 LEU 21 HD11 LEU 21 54.623 -1.280 2.335 158 HD12 LEU 21 HD12 LEU 21 54.227 -0.732 3.960 159 HD13 LEU 21 HD13 LEU 21 53.647 0.172 2.562 160 HD21 LEU 21 HD21 LEU 21 50.760 -1.846 4.034 161 HD22 LEU 21 HD22 LEU 21 51.469 -0.232 4.054 162 HD23 LEU 21 HD23 LEU 21 52.182 -1.521 5.024 163 H THR 22 HN THR 22 50.595 -0.536 -0.219 164 HA THR 22 HA THR 22 50.489 -1.201 -2.994 165 HB THR 22 HB THR 22 49.764 -3.386 -2.348 166 HG1 THR 22 HG1 THR 22 48.191 -3.159 -3.691 167 HG21 THR 22 HG21 THR 22 47.889 -3.679 -0.707 168 HG22 THR 22 HG22 THR 22 47.982 -1.952 -0.362 169 HG23 THR 22 HG23 THR 22 49.350 -3.000 0.009 170 H HIS 23 HN HIS 23 49.877 0.743 -0.527 171 HA HIS 23 HA HIS 23 47.275 1.673 -0.686 172 HB2 HIS 23 HB2 HIS 23 48.960 2.483 0.941 173 HB3 HIS 23 HB1 HIS 23 49.771 3.355 -0.358 174 HD1 HIS 23 HD1 HIS 23 46.097 3.287 -0.613 175 HD2 HIS 23 HD2 HIS 23 48.986 5.813 1.010 176 HE1 HIS 23 HE1 HIS 23 44.929 5.475 -0.104 177 H TYR 24 HN TYR 24 46.377 1.721 -2.714 178 HA TYR 24 HA TYR 24 47.555 2.692 -5.057 179 HB2 TYR 24 HB2 TYR 24 44.617 2.814 -4.343 180 HB3 TYR 24 HB1 TYR 24 45.314 2.785 -5.964 181 HD1 TYR 24 HD1 TYR 24 44.707 0.808 -2.885 182 HD2 TYR 24 HD2 TYR 24 46.178 0.729 -6.942 183 HE1 TYR 24 HE1 TYR 24 44.721 -1.683 -2.832 184 HE2 TYR 24 HE2 TYR 24 46.191 -1.762 -6.889 185 HH TYR 24 HH TYR 24 46.221 -3.484 -4.138 186 H LEU 25 HN LEU 25 47.847 4.673 -5.912 187 HA LEU 25 HA LEU 25 47.881 6.960 -4.318 188 HB2 LEU 25 HB2 LEU 25 49.225 6.860 -6.311 189 HB3 LEU 25 HB1 LEU 25 47.805 6.636 -7.326 190 HG LEU 25 HG LEU 25 47.051 8.892 -6.904 191 HD11 LEU 25 HD11 LEU 25 48.579 10.401 -5.463 192 HD12 LEU 25 HD12 LEU 25 49.246 8.899 -4.821 193 HD13 LEU 25 HD13 LEU 25 47.534 9.268 -4.608 194 HD21 LEU 25 HD21 LEU 25 48.867 8.552 -8.590 195 HD22 LEU 25 HD22 LEU 25 50.052 8.944 -7.345 196 HD23 LEU 25 HD23 LEU 25 48.892 10.163 -7.873 Start of MODEL 49 1 H1 GLY 1 HT1 GLY 1 56.966 17.566 8.473 2 H2 GLY 1 HT2 GLY 1 56.967 15.880 8.686 3 H3 GLY 1 HT3 GLY 1 56.991 16.911 10.037 4 HA2 GLY 1 HA1 GLY 1 54.826 17.807 9.126 5 HA3 GLY 1 HA2 GLY 1 54.811 16.316 8.193 6 H TRP 2 HN TRP 2 54.457 14.367 9.213 7 HA TRP 2 HA TRP 2 53.679 12.919 10.808 8 HB2 TRP 2 HB2 TRP 2 54.618 14.848 12.936 9 HB3 TRP 2 HB1 TRP 2 54.491 13.093 13.022 10 HD1 TRP 2 HD1 TRP 2 55.925 12.346 10.316 11 HE1 TRP 2 HE1 TRP 2 58.472 12.665 10.083 12 HE3 TRP 2 HE3 TRP 2 56.715 15.793 14.019 13 HZ2 TRP 2 HZ2 TRP 2 60.583 14.184 11.305 14 HZ3 TRP 2 HZ3 TRP 2 59.003 16.662 14.468 15 HH2 TRP 2 HH2 TRP 2 60.937 15.862 13.115 16 H GLY 3 HN GLY 3 51.520 12.990 10.531 17 HA2 GLY 3 HA1 GLY 3 49.337 13.360 11.159 18 HA3 GLY 3 HA2 GLY 3 49.931 14.352 12.486 19 H SER 4 HN SER 4 51.368 15.421 9.699 20 HA SER 4 HA SER 4 49.990 17.894 9.690 21 HB2 SER 4 HB2 SER 4 51.233 18.270 7.535 22 HB3 SER 4 HB1 SER 4 52.255 17.803 8.891 23 HG SER 4 HG SER 4 52.871 16.250 7.619 24 H PHE 5 HN PHE 5 49.172 18.741 7.424 25 HA PHE 5 HA PHE 5 46.727 17.373 6.902 26 HB2 PHE 5 HB2 PHE 5 48.091 19.647 5.441 27 HB3 PHE 5 HB1 PHE 5 46.448 19.094 5.117 28 HD1 PHE 5 HD1 PHE 5 44.627 19.519 6.685 29 HD2 PHE 5 HD2 PHE 5 48.670 20.727 7.592 30 HE1 PHE 5 HE1 PHE 5 43.787 20.918 8.568 31 HE2 PHE 5 HE2 PHE 5 47.830 22.126 9.475 32 HZ PHE 5 HZ PHE 5 45.383 22.274 9.919 33 H PHE 6 HN PHE 6 46.363 17.534 4.184 34 HA PHE 6 HA PHE 6 48.446 16.019 2.817 35 HB2 PHE 6 HB2 PHE 6 45.702 14.824 3.291 36 HB3 PHE 6 HB1 PHE 6 46.970 14.132 2.281 37 HD1 PHE 6 HD1 PHE 6 45.896 14.849 5.741 38 HD2 PHE 6 HD2 PHE 6 48.991 13.145 3.262 39 HE1 PHE 6 HE1 PHE 6 46.897 13.755 7.744 40 HE2 PHE 6 HE2 PHE 6 49.995 12.054 5.265 41 HZ PHE 6 HZ PHE 6 48.980 12.405 7.513 42 H ARG 7 HN ARG 7 44.972 16.842 2.625 43 HA ARG 7 HA ARG 7 45.114 17.279 -0.228 44 HB2 ARG 7 HB2 ARG 7 42.750 18.069 0.075 45 HB3 ARG 7 HB1 ARG 7 43.046 16.438 0.676 46 HG2 ARG 7 HG2 ARG 7 43.223 17.259 2.961 47 HG3 ARG 7 HG1 ARG 7 43.083 18.927 2.406 48 HD2 ARG 7 HD2 ARG 7 40.821 18.547 1.632 49 HD3 ARG 7 HD1 ARG 7 40.952 16.820 1.962 50 HE ARG 7 HE ARG 7 41.460 18.134 4.401 51 HH11 ARG 7 HH11 ARG 7 38.977 18.219 2.024 52 HH12 ARG 7 HH12 ARG 7 37.686 18.262 3.178 53 HH21 ARG 7 HH21 ARG 7 39.780 18.021 5.931 54 HH22 ARG 7 HH22 ARG 7 38.140 18.151 5.389 55 H ARG 8 HN ARG 8 46.926 18.890 1.345 56 HA ARG 8 HA ARG 8 46.000 21.522 1.741 57 HB2 ARG 8 HB2 ARG 8 48.139 20.694 2.640 58 HB3 ARG 8 HB1 ARG 8 48.784 20.583 1.002 59 HG2 ARG 8 HG2 ARG 8 48.629 22.963 0.691 60 HG3 ARG 8 HG1 ARG 8 47.712 23.156 2.185 61 HD2 ARG 8 HD2 ARG 8 49.684 22.305 3.460 62 HD3 ARG 8 HD1 ARG 8 50.597 22.249 1.951 63 HE ARG 8 HE ARG 8 50.205 24.592 3.515 64 HH11 ARG 8 HH11 ARG 8 52.253 24.544 1.422 65 HH12 ARG 8 HH12 ARG 8 51.611 25.599 0.208 66 HH21 ARG 8 HH21 ARG 8 48.375 25.491 1.450 67 HH22 ARG 8 HH22 ARG 8 49.416 26.137 0.224 68 H ALA 9 HN ALA 9 48.382 20.780 -0.772 69 HA ALA 9 HA ALA 9 47.471 22.904 -2.444 70 HB1 ALA 9 HB1 ALA 9 49.086 21.991 -4.073 71 HB2 ALA 9 HB2 ALA 9 49.310 20.580 -3.038 72 HB3 ALA 9 HB3 ALA 9 49.796 22.177 -2.470 73 H ALA 10 HN ALA 10 47.732 19.475 -3.362 74 HA ALA 10 HA ALA 10 44.996 19.163 -4.053 75 HB1 ALA 10 HB1 ALA 10 46.902 19.786 -6.312 76 HB2 ALA 10 HB2 ALA 10 45.483 20.718 -5.838 77 HB3 ALA 10 HB3 ALA 10 45.290 19.105 -6.525 78 H HIS 11 HN HIS 11 45.573 17.268 -2.820 79 HA HIS 11 HA HIS 11 46.186 15.064 -2.578 80 HB2 HIS 11 HB2 HIS 11 45.965 15.139 -5.597 81 HB3 HIS 11 HB1 HIS 11 46.002 13.679 -4.609 82 HD1 HIS 11 HD1 HIS 11 44.186 16.373 -2.955 83 HD2 HIS 11 HD2 HIS 11 43.234 13.429 -5.746 84 HE1 HIS 11 HE1 HIS 11 41.661 16.168 -2.947 85 H VAL 12 HN VAL 12 48.282 15.543 -1.773 86 HA VAL 12 HA VAL 12 50.569 16.120 -3.222 87 HB VAL 12 HB VAL 12 50.481 16.062 -0.738 88 HG11 VAL 12 HG11 VAL 12 49.201 13.872 -0.670 89 HG12 VAL 12 HG12 VAL 12 50.546 13.984 0.463 90 HG13 VAL 12 HG13 VAL 12 50.723 13.056 -1.025 91 HG21 VAL 12 HG21 VAL 12 52.736 15.227 -0.421 92 HG22 VAL 12 HG22 VAL 12 52.646 15.965 -2.019 93 HG23 VAL 12 HG23 VAL 12 52.611 14.210 -1.856 94 H GLY 13 HN GLY 13 49.017 12.995 -2.666 95 HA2 GLY 13 HA1 GLY 13 49.748 11.768 -4.997 96 HA3 GLY 13 HA2 GLY 13 51.102 11.466 -3.915 97 H ARG 14 HN ARG 14 47.666 10.939 -4.434 98 HA ARG 14 HA ARG 14 47.794 8.344 -3.226 99 HB2 ARG 14 HB2 ARG 14 46.078 8.833 -1.455 100 HB3 ARG 14 HB1 ARG 14 47.660 9.549 -1.146 101 HG2 ARG 14 HG2 ARG 14 46.896 11.708 -1.981 102 HG3 ARG 14 HG1 ARG 14 45.339 11.013 -2.436 103 HD2 ARG 14 HD2 ARG 14 44.979 10.405 -0.024 104 HD3 ARG 14 HD1 ARG 14 46.454 11.287 0.369 105 HE ARG 14 HE ARG 14 44.752 13.017 -1.123 106 HH11 ARG 14 HH11 ARG 14 45.679 12.025 1.982 107 HH12 ARG 14 HH12 ARG 14 44.448 12.920 2.810 108 HH21 ARG 14 HH21 ARG 14 42.837 13.907 -0.097 109 HH22 ARG 14 HH22 ARG 14 42.839 13.984 1.633 110 H HIS 15 HN HIS 15 45.602 7.298 -3.201 111 HA HIS 15 HA HIS 15 43.766 6.622 -4.408 112 HB2 HIS 15 HB2 HIS 15 43.335 9.619 -4.412 113 HB3 HIS 15 HB1 HIS 15 42.131 8.447 -4.950 114 HD1 HIS 15 HD1 HIS 15 44.175 9.279 -1.845 115 HD2 HIS 15 HD2 HIS 15 40.675 7.271 -2.886 116 HE1 HIS 15 HE1 HIS 15 43.023 8.672 0.328 117 H VAL 16 HN VAL 16 44.015 9.665 -6.156 118 HA VAL 16 HA VAL 16 44.023 8.312 -8.688 119 HB VAL 16 HB VAL 16 44.601 11.244 -8.181 120 HG11 VAL 16 HG11 VAL 16 45.093 10.451 -10.451 121 HG12 VAL 16 HG12 VAL 16 43.655 11.472 -10.468 122 HG13 VAL 16 HG13 VAL 16 43.492 9.718 -10.558 123 HG21 VAL 16 HG21 VAL 16 42.498 10.615 -7.075 124 HG22 VAL 16 HG22 VAL 16 41.948 9.812 -8.546 125 HG23 VAL 16 HG23 VAL 16 42.157 11.563 -8.524 126 H GLY 17 HN GLY 17 46.436 9.831 -6.641 127 HA2 GLY 17 HA1 GLY 17 48.536 10.155 -8.420 128 HA3 GLY 17 HA2 GLY 17 48.727 9.787 -6.711 129 H ARG 18 HN ARG 18 48.143 7.357 -6.237 130 HA ARG 18 HA ARG 18 48.746 5.459 -8.295 131 HB2 ARG 18 HB2 ARG 18 51.006 6.400 -7.941 132 HB3 ARG 18 HB1 ARG 18 50.898 5.982 -6.231 133 HG2 ARG 18 HG2 ARG 18 50.769 3.629 -6.736 134 HG3 ARG 18 HG1 ARG 18 50.601 3.955 -8.461 135 HD2 ARG 18 HD2 ARG 18 53.033 4.598 -6.766 136 HD3 ARG 18 HD1 ARG 18 52.908 3.283 -7.936 137 HE ARG 18 HE ARG 18 52.298 5.793 -9.205 138 HH11 ARG 18 HH11 ARG 18 54.471 7.175 -8.619 139 HH12 ARG 18 HH12 ARG 18 55.851 6.413 -9.339 140 HH21 ARG 18 HH21 ARG 18 54.246 3.378 -9.834 141 HH22 ARG 18 HH22 ARG 18 55.722 4.263 -10.027 142 H ALA 19 HN ALA 19 48.615 6.213 -4.848 143 HA ALA 19 HA ALA 19 47.866 5.009 -3.040 144 HB1 ALA 19 HB1 ALA 19 45.862 3.666 -3.424 145 HB2 ALA 19 HB2 ALA 19 46.167 3.688 -5.161 146 HB3 ALA 19 HB3 ALA 19 45.769 5.185 -4.316 147 H ALA 20 HN ALA 20 49.665 3.866 -2.418 148 HA ALA 20 HA ALA 20 49.573 1.013 -2.772 149 HB1 ALA 20 HB1 ALA 20 51.769 0.768 -3.815 150 HB2 ALA 20 HB2 ALA 20 51.916 2.520 -3.944 151 HB3 ALA 20 HB3 ALA 20 50.680 1.668 -4.871 152 H LEU 21 HN LEU 21 49.990 0.318 -0.789 153 HA LEU 21 HA LEU 21 51.335 1.910 1.167 154 HB2 LEU 21 HB2 LEU 21 50.804 -1.054 1.398 155 HB3 LEU 21 HB1 LEU 21 50.871 0.150 2.685 156 HG LEU 21 HG LEU 21 48.756 -0.048 0.519 157 HD11 LEU 21 HD11 LEU 21 48.543 -1.740 2.289 158 HD12 LEU 21 HD12 LEU 21 47.263 -0.534 2.436 159 HD13 LEU 21 HD13 LEU 21 48.653 -0.481 3.521 160 HD21 LEU 21 HD21 LEU 21 47.666 1.771 1.985 161 HD22 LEU 21 HD22 LEU 21 49.021 2.280 0.982 162 HD23 LEU 21 HD23 LEU 21 49.260 1.992 2.705 163 H THR 22 HN THR 22 53.321 2.233 -0.161 164 HA THR 22 HA THR 22 55.134 0.255 -0.865 165 HB THR 22 HB THR 22 56.903 1.978 -0.600 166 HG1 THR 22 HG1 THR 22 55.024 3.861 0.169 167 HG21 THR 22 HG21 THR 22 55.891 3.653 -2.131 168 HG22 THR 22 HG22 THR 22 54.300 2.972 -1.793 169 HG23 THR 22 HG23 THR 22 55.519 2.000 -2.617 170 H HIS 23 HN HIS 23 55.345 -1.424 0.572 171 HA HIS 23 HA HIS 23 55.517 -1.370 3.319 172 HB2 HIS 23 HB2 HIS 23 56.790 -3.484 3.140 173 HB3 HIS 23 HB1 HIS 23 55.401 -3.453 2.052 174 HD1 HIS 23 HD1 HIS 23 59.080 -3.726 2.095 175 HD2 HIS 23 HD2 HIS 23 56.110 -2.999 -0.738 176 HE1 HIS 23 HE1 HIS 23 60.174 -3.986 -0.174 177 H TYR 24 HN TYR 24 56.663 0.374 4.131 178 HA TYR 24 HA TYR 24 59.283 1.106 3.368 179 HB2 TYR 24 HB2 TYR 24 59.283 2.222 5.683 180 HB3 TYR 24 HB1 TYR 24 58.015 2.717 4.563 181 HD1 TYR 24 HD1 TYR 24 55.688 1.919 4.830 182 HD2 TYR 24 HD2 TYR 24 58.774 0.899 7.670 183 HE1 TYR 24 HE1 TYR 24 53.949 1.187 6.457 184 HE2 TYR 24 HE2 TYR 24 57.036 0.167 9.297 185 HH TYR 24 HH TYR 24 54.643 -0.746 9.088 186 H LEU 25 HN LEU 25 61.281 0.547 4.161 187 HA LEU 25 HA LEU 25 61.693 -2.061 5.086 188 HB2 LEU 25 HB2 LEU 25 63.325 -0.295 3.992 189 HB3 LEU 25 HB1 LEU 25 63.703 0.115 5.661 190 HG LEU 25 HG LEU 25 63.964 -2.616 4.360 191 HD11 LEU 25 HD11 LEU 25 65.722 -0.892 3.851 192 HD12 LEU 25 HD12 LEU 25 66.343 -2.301 4.712 193 HD13 LEU 25 HD13 LEU 25 66.057 -0.793 5.580 194 HD21 LEU 25 HD21 LEU 25 63.295 -3.056 6.605 195 HD22 LEU 25 HD22 LEU 25 64.248 -1.713 7.239 196 HD23 LEU 25 HD23 LEU 25 65.054 -3.162 6.636 Start of MODEL 50 1 H1 GLY 1 HT1 GLY 1 52.078 16.937 6.473 2 H2 GLY 1 HT2 GLY 1 50.415 16.595 6.423 3 H3 GLY 1 HT3 GLY 1 51.526 15.553 5.668 4 HA2 GLY 1 HA1 GLY 1 50.798 14.585 7.676 5 HA3 GLY 1 HA2 GLY 1 52.494 15.037 7.792 6 H TRP 2 HN TRP 2 51.307 17.938 7.850 7 HA TRP 2 HA TRP 2 49.953 18.158 10.346 8 HB2 TRP 2 HB2 TRP 2 52.256 17.460 11.103 9 HB3 TRP 2 HB1 TRP 2 52.873 18.953 10.399 10 HD1 TRP 2 HD1 TRP 2 50.513 17.700 13.153 11 HE1 TRP 2 HE1 TRP 2 50.234 19.564 14.911 12 HE3 TRP 2 HE3 TRP 2 53.071 21.477 10.831 13 HZ2 TRP 2 HZ2 TRP 2 50.994 22.311 15.293 14 HZ3 TRP 2 HZ3 TRP 2 53.282 23.710 11.911 15 HH2 TRP 2 HH2 TRP 2 52.247 24.130 14.139 16 H GLY 3 HN GLY 3 52.334 19.808 8.266 17 HA2 GLY 3 HA1 GLY 3 51.236 22.407 8.723 18 HA3 GLY 3 HA2 GLY 3 52.419 21.974 7.496 19 H SER 4 HN SER 4 50.836 19.945 6.234 20 HA SER 4 HA SER 4 49.425 19.805 4.423 21 HB2 SER 4 HB2 SER 4 47.130 20.430 4.859 22 HB3 SER 4 HB1 SER 4 47.818 19.763 6.337 23 HG SER 4 HG SER 4 46.692 21.716 6.721 24 H PHE 5 HN PHE 5 47.604 21.471 3.279 25 HA PHE 5 HA PHE 5 48.700 24.135 2.920 26 HB2 PHE 5 HB2 PHE 5 48.790 22.136 0.643 27 HB3 PHE 5 HB1 PHE 5 49.159 23.856 0.521 28 HD1 PHE 5 HD1 PHE 5 50.345 20.574 1.682 29 HD2 PHE 5 HD2 PHE 5 51.166 24.811 1.621 30 HE1 PHE 5 HE1 PHE 5 52.691 20.130 2.395 31 HE2 PHE 5 HE2 PHE 5 53.512 24.368 2.333 32 HZ PHE 5 HZ PHE 5 54.295 22.021 2.643 33 H PHE 6 HN PHE 6 47.534 24.687 0.447 34 HA PHE 6 HA PHE 6 44.783 24.974 1.214 35 HB2 PHE 6 HB2 PHE 6 45.939 25.533 -1.521 36 HB3 PHE 6 HB1 PHE 6 44.547 26.293 -0.747 37 HD1 PHE 6 HD1 PHE 6 44.902 27.720 1.330 38 HD2 PHE 6 HD2 PHE 6 48.162 26.360 -1.151 39 HE1 PHE 6 HE1 PHE 6 46.386 29.453 2.331 40 HE2 PHE 6 HE2 PHE 6 49.645 28.094 -0.151 41 HZ PHE 6 HZ PHE 6 48.767 29.618 1.613 42 H ARG 7 HN ARG 7 46.589 22.703 -0.673 43 HA ARG 7 HA ARG 7 44.532 21.704 -2.335 44 HB2 ARG 7 HB2 ARG 7 46.874 20.175 -1.174 45 HB3 ARG 7 HB1 ARG 7 45.943 19.737 -2.603 46 HG2 ARG 7 HG2 ARG 7 47.442 22.364 -2.377 47 HG3 ARG 7 HG1 ARG 7 48.183 20.908 -3.030 48 HD2 ARG 7 HD2 ARG 7 46.191 20.808 -4.654 49 HD3 ARG 7 HD1 ARG 7 45.831 22.454 -4.137 50 HE ARG 7 HE ARG 7 48.532 22.494 -4.833 51 HH11 ARG 7 HH11 ARG 7 46.613 20.512 -6.613 52 HH12 ARG 7 HH12 ARG 7 46.640 21.444 -8.073 53 HH21 ARG 7 HH21 ARG 7 48.113 24.211 -6.590 54 HH22 ARG 7 HH22 ARG 7 47.489 23.538 -8.059 55 H ARG 8 HN ARG 8 45.789 20.424 0.753 56 HA ARG 8 HA ARG 8 44.831 19.053 2.328 57 HB2 ARG 8 HB2 ARG 8 42.266 20.347 1.372 58 HB3 ARG 8 HB1 ARG 8 42.526 19.549 2.924 59 HG2 ARG 8 HG2 ARG 8 44.351 21.224 3.391 60 HG3 ARG 8 HG1 ARG 8 43.857 22.081 1.931 61 HD2 ARG 8 HD2 ARG 8 41.576 22.332 2.855 62 HD3 ARG 8 HD1 ARG 8 42.085 21.496 4.322 63 HE ARG 8 HE ARG 8 43.760 23.799 3.728 64 HH11 ARG 8 HH11 ARG 8 43.647 23.742 6.408 65 HH12 ARG 8 HH12 ARG 8 42.243 24.616 6.918 66 HH21 ARG 8 HH21 ARG 8 40.706 24.486 3.813 67 HH22 ARG 8 HH22 ARG 8 40.577 25.037 5.451 68 H ALA 9 HN ALA 9 45.262 17.902 -0.240 69 HA ALA 9 HA ALA 9 43.622 15.571 -0.002 70 HB1 ALA 9 HB1 ALA 9 42.025 17.039 -1.155 71 HB2 ALA 9 HB2 ALA 9 42.529 15.698 -2.185 72 HB3 ALA 9 HB3 ALA 9 43.204 17.309 -2.439 73 H ALA 10 HN ALA 10 45.928 17.490 -1.819 74 HA ALA 10 HA ALA 10 46.887 15.508 -3.568 75 HB1 ALA 10 HB1 ALA 10 47.495 17.806 -3.907 76 HB2 ALA 10 HB2 ALA 10 48.974 16.896 -3.596 77 HB3 ALA 10 HB3 ALA 10 48.263 17.889 -2.323 78 H HIS 11 HN HIS 11 49.139 16.705 -1.171 79 HA HIS 11 HA HIS 11 50.275 14.108 -0.789 80 HB2 HIS 11 HB2 HIS 11 51.627 16.163 -0.654 81 HB3 HIS 11 HB1 HIS 11 50.715 16.666 0.770 82 HD1 HIS 11 HD1 HIS 11 52.685 16.500 2.414 83 HD2 HIS 11 HD2 HIS 11 52.041 12.964 0.307 84 HE1 HIS 11 HE1 HIS 11 54.067 14.717 3.565 85 H VAL 12 HN VAL 12 48.156 16.202 1.117 86 HA VAL 12 HA VAL 12 48.110 14.477 3.412 87 HB VAL 12 HB VAL 12 46.069 16.590 2.660 88 HG11 VAL 12 HG11 VAL 12 46.932 15.352 5.292 89 HG12 VAL 12 HG12 VAL 12 45.380 15.124 4.487 90 HG13 VAL 12 HG13 VAL 12 45.809 16.704 5.142 91 HG21 VAL 12 HG21 VAL 12 48.320 17.566 2.607 92 HG22 VAL 12 HG22 VAL 12 48.688 16.847 4.174 93 HG23 VAL 12 HG23 VAL 12 47.468 18.112 4.051 94 H GLY 13 HN GLY 13 47.532 12.415 2.711 95 HA2 GLY 13 HA1 GLY 13 44.878 11.681 2.791 96 HA3 GLY 13 HA2 GLY 13 45.246 11.904 1.086 97 H ARG 14 HN ARG 14 48.062 11.057 1.510 98 HA ARG 14 HA ARG 14 49.255 9.115 1.204 99 HB2 ARG 14 HB2 ARG 14 47.444 8.020 3.364 100 HB3 ARG 14 HB1 ARG 14 49.088 7.508 2.978 101 HG2 ARG 14 HG2 ARG 14 49.885 9.811 3.568 102 HG3 ARG 14 HG1 ARG 14 48.246 10.197 4.096 103 HD2 ARG 14 HD2 ARG 14 50.006 7.996 5.217 104 HD3 ARG 14 HD1 ARG 14 49.604 9.515 6.021 105 HE ARG 14 HE ARG 14 47.133 8.391 5.469 106 HH11 ARG 14 HH11 ARG 14 47.528 8.635 8.238 107 HH12 ARG 14 HH12 ARG 14 47.821 7.029 8.818 108 HH21 ARG 14 HH21 ARG 14 48.590 5.757 5.684 109 HH22 ARG 14 HH22 ARG 14 48.423 5.400 7.371 110 H HIS 15 HN HIS 15 48.095 6.428 1.835 111 HA HIS 15 HA HIS 15 47.160 4.701 0.650 112 HB2 HIS 15 HB2 HIS 15 45.098 6.827 0.014 113 HB3 HIS 15 HB1 HIS 15 44.878 5.090 -0.199 114 HD1 HIS 15 HD1 HIS 15 46.795 6.225 2.778 115 HD2 HIS 15 HD2 HIS 15 42.852 5.212 1.888 116 HE1 HIS 15 HE1 HIS 15 45.625 5.881 4.997 117 H VAL 16 HN VAL 16 45.495 6.379 -1.749 118 HA VAL 16 HA VAL 16 46.948 5.279 -3.874 119 HB VAL 16 HB VAL 16 45.693 6.804 -5.332 120 HG11 VAL 16 HG11 VAL 16 43.961 5.894 -3.017 121 HG12 VAL 16 HG12 VAL 16 44.576 4.816 -4.268 122 HG13 VAL 16 HG13 VAL 16 43.460 6.113 -4.694 123 HG21 VAL 16 HG21 VAL 16 45.844 8.881 -4.122 124 HG22 VAL 16 HG22 VAL 16 45.053 8.182 -2.708 125 HG23 VAL 16 HG23 VAL 16 44.133 8.460 -4.186 126 H GLY 17 HN GLY 17 47.227 8.405 -2.260 127 HA2 GLY 17 HA1 GLY 17 48.819 9.824 -3.982 128 HA3 GLY 17 HA2 GLY 17 48.958 9.916 -2.232 129 H ARG 18 HN ARG 18 50.172 7.951 -1.266 130 HA ARG 18 HA ARG 18 52.123 6.625 -2.857 131 HB2 ARG 18 HB2 ARG 18 52.990 9.003 -2.891 132 HB3 ARG 18 HB1 ARG 18 53.216 8.868 -1.147 133 HG2 ARG 18 HG2 ARG 18 54.739 6.988 -1.445 134 HG3 ARG 18 HG1 ARG 18 54.442 6.984 -3.185 135 HD2 ARG 18 HD2 ARG 18 55.326 9.336 -3.271 136 HD3 ARG 18 HD1 ARG 18 55.776 9.175 -1.574 137 HE ARG 18 HE ARG 18 57.611 7.862 -2.257 138 HH11 ARG 18 HH11 ARG 18 56.728 5.569 -3.537 139 HH12 ARG 18 HH12 ARG 18 56.999 5.813 -5.232 140 HH21 ARG 18 HH21 ARG 18 57.306 9.256 -4.954 141 HH22 ARG 18 HH22 ARG 18 57.326 7.902 -6.033 142 H ALA 19 HN ALA 19 50.912 5.090 -1.446 143 HA ALA 19 HA ALA 19 52.529 4.367 0.818 144 HB1 ALA 19 HB1 ALA 19 50.693 4.437 2.474 145 HB2 ALA 19 HB2 ALA 19 49.686 5.274 1.291 146 HB3 ALA 19 HB3 ALA 19 51.148 6.044 1.907 147 H ALA 20 HN ALA 20 52.787 2.326 0.103 148 HA ALA 20 HA ALA 20 50.634 0.470 0.361 149 HB1 ALA 20 HB1 ALA 20 50.050 1.410 -1.836 150 HB2 ALA 20 HB2 ALA 20 50.529 -0.283 -1.960 151 HB3 ALA 20 HB3 ALA 20 51.655 0.990 -2.434 152 H LEU 21 HN LEU 21 51.366 -1.633 0.503 153 HA LEU 21 HA LEU 21 54.188 -1.970 0.935 154 HB2 LEU 21 HB2 LEU 21 52.154 -4.198 0.787 155 HB3 LEU 21 HB1 LEU 21 53.641 -4.130 1.734 156 HG LEU 21 HG LEU 21 51.148 -2.458 2.166 157 HD11 LEU 21 HD11 LEU 21 51.059 -4.839 2.923 158 HD12 LEU 21 HD12 LEU 21 50.976 -3.693 4.262 159 HD13 LEU 21 HD13 LEU 21 52.483 -4.542 3.919 160 HD21 LEU 21 HD21 LEU 21 52.467 -1.747 4.264 161 HD22 LEU 21 HD22 LEU 21 52.985 -1.045 2.734 162 HD23 LEU 21 HD23 LEU 21 53.896 -2.379 3.442 163 H THR 22 HN THR 22 52.982 -1.423 -1.849 164 HA THR 22 HA THR 22 53.333 -3.652 -3.507 165 HB THR 22 HB THR 22 54.021 -0.800 -4.271 166 HG1 THR 22 HG1 THR 22 51.503 -1.967 -4.640 167 HG21 THR 22 HG21 THR 22 53.265 -1.563 -6.499 168 HG22 THR 22 HG22 THR 22 52.988 -3.177 -5.844 169 HG23 THR 22 HG23 THR 22 54.624 -2.523 -5.916 170 H HIS 23 HN HIS 23 55.651 -0.967 -3.110 171 HA HIS 23 HA HIS 23 57.940 -0.896 -3.247 172 HB2 HIS 23 HB2 HIS 23 57.802 -3.768 -2.311 173 HB3 HIS 23 HB1 HIS 23 59.163 -2.660 -2.146 174 HD1 HIS 23 HD1 HIS 23 57.496 -0.147 -1.260 175 HD2 HIS 23 HD2 HIS 23 57.181 -3.943 0.432 176 HE1 HIS 23 HE1 HIS 23 56.531 0.180 1.059 177 H TYR 24 HN TYR 24 59.783 -1.613 -4.476 178 HA TYR 24 HA TYR 24 59.041 -2.623 -7.069 179 HB2 TYR 24 HB2 TYR 24 61.443 -2.295 -7.592 180 HB3 TYR 24 HB1 TYR 24 60.716 -0.860 -6.869 181 HD1 TYR 24 HD1 TYR 24 63.087 -3.636 -6.381 182 HD2 TYR 24 HD2 TYR 24 61.201 -0.223 -4.529 183 HE1 TYR 24 HE1 TYR 24 64.767 -3.706 -4.543 184 HE2 TYR 24 HE2 TYR 24 62.882 -0.293 -2.690 185 HH TYR 24 HH TYR 24 64.363 -1.698 -1.658 186 H LEU 25 HN LEU 25 58.989 -4.369 -4.546 187 HA LEU 25 HA LEU 25 59.438 -6.554 -3.984 188 HB2 LEU 25 HB2 LEU 25 60.075 -6.981 -6.906 189 HB3 LEU 25 HB1 LEU 25 59.398 -8.133 -5.756 190 HG LEU 25 HG LEU 25 58.026 -5.634 -6.792 191 HD11 LEU 25 HD11 LEU 25 57.418 -8.574 -7.226 192 HD12 LEU 25 HD12 LEU 25 58.182 -7.515 -8.410 193 HD13 LEU 25 HD13 LEU 25 56.521 -7.215 -7.902 194 HD21 LEU 25 HD21 LEU 25 56.033 -6.737 -5.572 195 HD22 LEU 25 HD22 LEU 25 57.242 -5.953 -4.562 196 HD23 LEU 25 HD23 LEU 25 57.239 -7.709 -4.726
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