NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655132 | 7l55 | 30830 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -5.309 -4.718 2.944 2 HA2 GLY 1 HA2 GLY 1 -4.953 -3.639 0.313 3 HA3 GLY 1 HA1 GLY 1 -6.023 -5.042 0.402 4 H PHE 2 HN PHE 2 -6.736 -2.250 -0.225 5 HA PHE 2 HA PHE 2 -8.883 -2.038 1.652 6 HB2 PHE 2 HB2 PHE 2 -8.410 0.286 2.324 7 HB3 PHE 2 HB1 PHE 2 -7.204 -0.840 2.928 8 HD1 PHE 2 HD1 PHE 2 -4.937 -0.878 1.848 9 HD2 PHE 2 HD2 PHE 2 -7.832 2.097 0.915 10 HE1 PHE 2 HE1 PHE 2 -3.172 0.558 0.921 11 HE2 PHE 2 HE2 PHE 2 -6.068 3.520 -0.007 12 HZ PHE 2 HZ PHE 2 -3.737 2.755 -0.006 13 H CYS 3 HN CYS 3 -10.581 -0.871 0.889 14 HA CYS 3 HA CYS 3 -10.243 0.486 -1.669 15 HB2 CYS 3 HB2 CYS 3 -11.128 -1.762 -2.171 16 HB3 CYS 3 HB1 CYS 3 -12.432 -1.506 -1.015 17 H TRP 4 HN TRP 4 -11.123 2.436 -1.608 18 HA TRP 4 HA TRP 4 -12.540 3.215 0.759 19 HB2 TRP 4 HB2 TRP 4 -11.895 4.745 -1.755 20 HB3 TRP 4 HB1 TRP 4 -12.721 5.448 -0.370 21 HD1 TRP 4 HD1 TRP 4 -11.192 5.440 1.971 22 HE1 TRP 4 HE1 TRP 4 -8.683 5.920 2.221 23 HE3 TRP 4 3HE TRP 4 -9.730 4.543 -2.826 24 HZ2 TRP 4 HZ2 TRP 4 -6.384 5.935 0.594 25 HZ3 TRP 4 HZ3 TRP 4 -7.360 4.816 -3.406 26 HH2 TRP 4 2HH TRP 4 -5.718 5.500 -1.728 27 H HIS 5 HN HIS 5 -13.475 3.884 -2.580 28 HA HIS 5 HA HIS 5 -16.114 2.812 -1.938 29 HB2 HIS 5 HB2 HIS 5 -15.489 5.335 -3.499 30 HB3 HIS 5 HB1 HIS 5 -17.073 4.584 -3.469 31 HD1 HIS 5 HD1 HIS 5 -18.505 4.962 -1.368 32 HD2 HIS 5 HD2 HIS 5 -14.725 6.658 -1.148 33 HE1 HIS 5 HE1 HIS 5 -18.546 6.513 0.630 34 H HIS 6 HN HIS 6 -14.575 4.094 -4.853 35 HA HIS 6 HA HIS 6 -15.215 1.561 -6.198 36 HB2 HIS 6 HB2 HIS 6 -16.103 3.572 -7.282 37 HB3 HIS 6 HB1 HIS 6 -14.484 4.264 -7.354 38 HD1 HIS 6 HD1 HIS 6 -13.134 3.723 -9.461 39 HD2 HIS 6 HD2 HIS 6 -16.461 1.285 -8.979 40 HE1 HIS 6 HE1 HIS 6 -13.331 2.392 -11.577 41 H SER 7 HN SER 7 -12.618 3.793 -5.418 42 HA SER 7 HA SER 7 -10.681 2.336 -6.873 43 HB2 SER 7 HB2 SER 7 -10.395 4.421 -4.744 44 HB3 SER 7 HB1 SER 7 -9.105 3.893 -5.825 45 HG SER 7 HG SER 7 -10.861 4.457 -7.490 46 H CYS 8 HN CYS 8 -10.351 0.431 -6.286 47 HA CYS 8 HA CYS 8 -10.046 -0.321 -3.475 48 HB2 CYS 8 HB2 CYS 8 -10.623 -2.073 -5.870 49 HB3 CYS 8 HB1 CYS 8 -10.499 -2.619 -4.208 50 H VAL 9 HN VAL 9 -8.013 -0.545 -2.861 51 HA VAL 9 HA VAL 9 -5.930 -0.968 -4.825 52 HB VAL 9 HB VAL 9 -5.702 -0.616 -1.821 53 HG11 VAL 9 HG11 VAL 9 -3.400 0.066 -2.299 54 HG12 VAL 9 HG12 VAL 9 -3.667 -0.267 -4.011 55 HG13 VAL 9 3HG1 VAL 9 -3.732 -1.582 -2.839 56 HG21 VAL 9 HG21 VAL 9 -5.174 1.747 -2.257 57 HG22 VAL 9 HG22 VAL 9 -6.818 1.334 -2.723 58 HG23 VAL 9 HG23 VAL 9 -5.570 1.515 -3.961 59 HA PRO 10 HA PRO 10 -6.510 -5.384 -4.037 60 HB2 PRO 10 HB2 PRO 10 -3.918 -5.525 -5.471 61 HB3 PRO 10 HB1 PRO 10 -5.433 -6.365 -5.811 62 HG2 PRO 10 HG2 PRO 10 -4.600 -4.343 -7.338 63 HG3 PRO 10 HG1 PRO 10 -6.317 -4.579 -6.973 64 HD2 PRO 10 HD2 PRO 10 -4.396 -2.594 -5.838 65 HD3 PRO 10 HD1 PRO 10 -6.123 -2.424 -6.224 66 H SER 11 HN SER 11 -5.475 -6.982 -2.854 67 HA SER 11 HA SER 11 -3.954 -6.083 -0.716 68 HB2 SER 11 HB2 SER 11 -3.687 -8.615 -0.264 69 HB3 SER 11 HB1 SER 11 -5.309 -7.930 -0.234 70 HG SER 11 HG SER 11 -5.746 -8.835 -2.186 71 H GLY 12 HN GLY 12 -1.969 -5.873 -0.365 72 HA2 GLY 12 HA2 GLY 12 0.358 -6.553 -0.652 73 HA3 GLY 12 HA1 GLY 12 -0.004 -6.761 -2.378 74 H THR 13 HN THR 13 -0.300 -4.370 0.210 75 HA THR 13 HA THR 13 -0.459 -2.288 -1.712 76 HB THR 13 HB THR 13 -0.657 -0.919 0.442 77 HG1 THR 13 HG1 THR 13 -1.013 -2.059 2.282 78 HG21 THR 13 HG21 THR 13 -2.999 -1.630 0.749 79 HG22 THR 13 HG22 THR 13 -2.662 -3.090 -0.180 80 HG23 THR 13 HG23 THR 13 -2.568 -1.510 -0.956 81 H CYS 14 HN CYS 14 1.223 -1.337 -2.477 82 HA CYS 14 HA CYS 14 3.697 -1.438 -0.988 83 HB2 CYS 14 HB2 CYS 14 3.117 -0.619 -3.830 84 HB3 CYS 14 HB1 CYS 14 4.705 -0.583 -3.051 85 H ALA 15 HN ALA 15 3.887 0.088 0.419 86 HA ALA 15 HA ALA 15 3.179 2.796 -0.367 87 HB1 ALA 15 HB1 ALA 15 3.272 3.284 2.057 88 HB2 ALA 15 HB2 ALA 15 3.671 1.595 2.368 89 HB3 ALA 15 HB3 ALA 15 2.097 2.021 1.696 90 H ASP 16 HN ASP 16 4.796 4.104 -0.748 91 HA ASP 16 HA ASP 16 7.513 3.104 -0.465 92 HB2 ASP 16 HB2 ASP 16 6.925 3.852 -2.668 93 HB3 ASP 16 HB1 ASP 16 6.343 5.389 -2.042 94 H PHE 17 HN PHE 17 8.706 3.658 1.067 95 HA PHE 17 HA PHE 17 8.340 6.212 2.479 96 HB2 PHE 17 HB2 PHE 17 9.258 3.521 3.523 97 HB3 PHE 17 HB1 PHE 17 9.260 5.003 4.462 98 HD1 PHE 17 HD1 PHE 17 7.020 6.153 4.818 99 HD2 PHE 17 HD2 PHE 17 7.408 2.141 3.483 100 HE1 PHE 17 HE1 PHE 17 4.743 5.702 5.559 101 HE2 PHE 17 HE2 PHE 17 5.127 1.658 4.220 102 HZ PHE 17 HZ PHE 17 3.770 3.443 5.266 103 HA PRO 18 HA PRO 18 12.728 7.021 1.678 104 HB2 PRO 18 HB2 PRO 18 13.098 7.124 4.641 105 HB3 PRO 18 HB1 PRO 18 13.583 8.306 3.419 106 HG2 PRO 18 HG2 PRO 18 11.499 8.794 4.959 107 HG3 PRO 18 HG1 PRO 18 11.430 9.174 3.228 108 HD2 PRO 18 HD2 PRO 18 10.234 6.866 4.710 109 HD3 PRO 18 HD1 PRO 18 9.534 7.827 3.398 110 H TRP 19 HN TRP 19 14.862 6.010 2.066 111 HA TRP 19 HA TRP 19 14.442 3.233 2.508 112 HB2 TRP 19 HB2 TRP 19 16.577 4.795 1.170 113 HB3 TRP 19 HB1 TRP 19 17.003 3.188 1.780 114 HD1 TRP 19 HD1 TRP 19 14.321 4.825 -0.483 115 HE1 TRP 19 HE1 TRP 19 13.471 3.032 -2.114 116 HE3 TRP 19 3HE TRP 19 17.052 0.817 1.188 117 HZ2 TRP 19 HZ2 TRP 19 13.902 0.322 -2.603 118 HZ3 TRP 19 HZ3 TRP 19 16.765 -1.331 0.073 119 HH2 TRP 19 2HH TRP 19 15.228 -1.585 -1.796 120 HA PRO 20 HA PRO 20 15.898 1.506 2.536 121 HB2 PRO 20 HB2 PRO 20 16.512 -0.616 3.945 122 HB3 PRO 20 HB1 PRO 20 17.755 0.607 3.646 123 HG2 PRO 20 HG2 PRO 20 16.179 0.086 6.127 124 HG3 PRO 20 HG1 PRO 20 17.876 0.566 5.957 125 HD2 PRO 20 HD2 PRO 20 15.691 2.270 6.494 126 HD3 PRO 20 HD1 PRO 20 17.326 2.776 6.025 127 H LEU 21 HN LEU 21 13.556 2.440 4.281 128 HA LEU 21 HA LEU 21 12.008 0.037 4.420 129 HB2 LEU 21 HB2 LEU 21 11.357 2.928 4.333 130 HB3 LEU 21 HB1 LEU 21 10.078 1.716 4.467 131 HG LEU 21 HG LEU 21 12.275 2.267 6.478 132 HD11 LEU 21 HD11 LEU 21 10.464 3.080 7.902 133 HD12 LEU 21 HD12 LEU 21 9.311 2.812 6.594 134 HD13 LEU 21 HD13 LEU 21 10.582 4.021 6.417 135 HD21 LEU 21 HD21 LEU 21 11.036 0.703 7.924 136 HD22 LEU 21 HD22 LEU 21 11.669 -0.085 6.485 137 HD23 LEU 21 HD23 LEU 21 9.956 0.332 6.580 138 H GLY 22 HN GLY 22 11.884 2.873 2.295 139 HA2 GLY 22 HA2 GLY 22 11.416 3.100 0.078 140 HA3 GLY 22 HA1 GLY 22 11.972 1.442 -0.116 141 H HIS 23 HN HIS 23 10.378 1.069 -1.627 142 HA HIS 23 HA HIS 23 7.631 1.182 -0.867 143 HB2 HIS 23 HB2 HIS 23 7.160 -0.083 -2.967 144 HB3 HIS 23 HB1 HIS 23 8.152 1.331 -3.260 145 HD1 HIS 23 HD1 HIS 23 7.842 -1.831 -4.612 146 HD2 HIS 23 HD2 HIS 23 11.117 0.197 -3.061 147 HE1 HIS 23 HE1 HIS 23 9.869 -2.878 -5.652 148 H GLN 24 HN GLN 24 7.303 0.224 0.898 149 HA GLN 24 HA GLN 24 8.425 -2.099 1.862 150 HB2 GLN 24 HB2 GLN 24 5.920 -0.656 2.547 151 HB3 GLN 24 HB1 GLN 24 6.278 -2.180 3.337 152 HG2 GLN 24 HG2 GLN 24 8.141 0.178 3.284 153 HG3 GLN 24 HG1 GLN 24 7.025 -0.184 4.608 154 HE21 GLN 24 1HE2 GLN 24 9.987 -1.133 2.994 155 HE22 GLN 24 2HE2 GLN 24 10.475 -2.253 4.204 156 H CYS 25 HN CYS 25 5.223 -1.900 0.370 157 HA CYS 25 HA CYS 25 3.861 -3.457 -0.560 158 HB2 CYS 25 HB2 CYS 25 6.465 -4.878 -1.178 159 HB3 CYS 25 HB1 CYS 25 4.910 -5.233 -1.924 160 H PHE 26 HN PHE 26 2.738 -4.115 1.129 161 HA PHE 26 HA PHE 26 3.655 -6.573 2.422 162 HB2 PHE 26 HB2 PHE 26 2.777 -5.685 4.625 163 HB3 PHE 26 HB1 PHE 26 4.210 -4.876 4.015 164 HD1 PHE 26 HD1 PHE 26 4.056 -2.589 3.133 165 HD2 PHE 26 HD2 PHE 26 0.702 -4.543 4.861 166 HE1 PHE 26 HE1 PHE 26 2.921 -0.426 3.354 167 HE2 PHE 26 HE2 PHE 26 -0.445 -2.388 5.083 168 HZ PHE 26 HZ PHE 26 0.668 -0.320 4.324 169 HA PRO 27 HA PRO 27 -0.380 -8.106 1.717 170 HB2 PRO 27 HB2 PRO 27 -0.606 -9.517 4.222 171 HB3 PRO 27 HB1 PRO 27 -0.276 -10.170 2.615 172 HG2 PRO 27 HG2 PRO 27 1.568 -10.128 4.637 173 HG3 PRO 27 HG1 PRO 27 1.991 -10.112 2.920 174 HD2 PRO 27 HD2 PRO 27 1.877 -7.842 4.867 175 HD3 PRO 27 HD1 PRO 27 3.058 -8.159 3.578 176 H ASP 28 HN ASP 28 -1.551 -6.317 1.805 177 HA ASP 28 HA ASP 28 -3.588 -6.155 3.808 178 HB2 ASP 28 HB2 ASP 28 -1.755 -4.731 4.779 179 HB3 ASP 28 HB1 ASP 28 -1.761 -3.777 3.306 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -4.380 -4.976 1.529 2 HA2 GLY 1 HA2 GLY 1 -3.688 -3.264 -0.583 3 HA3 GLY 1 HA1 GLY 1 -5.174 -4.123 -0.968 4 H PHE 2 HN PHE 2 -6.262 -2.140 -0.927 5 HA PHE 2 HA PHE 2 -7.429 -1.570 1.550 6 HB2 PHE 2 HB2 PHE 2 -6.868 0.848 1.641 7 HB3 PHE 2 HB1 PHE 2 -5.451 -0.157 1.882 8 HD1 PHE 2 HD1 PHE 2 -7.057 2.337 -0.212 9 HD2 PHE 2 HD2 PHE 2 -3.723 -0.292 0.109 10 HE1 PHE 2 HE1 PHE 2 -5.886 3.611 -1.950 11 HE2 PHE 2 HE2 PHE 2 -2.552 0.979 -1.636 12 HZ PHE 2 HZ PHE 2 -3.634 2.936 -2.665 13 H CYS 3 HN CYS 3 -9.223 -0.086 1.237 14 HA CYS 3 HA CYS 3 -9.937 0.326 -1.558 15 HB2 CYS 3 HB2 CYS 3 -10.981 -1.800 -0.837 16 HB3 CYS 3 HB1 CYS 3 -11.700 -0.983 0.543 17 H TRP 4 HN TRP 4 -11.348 2.102 -1.851 18 HA TRP 4 HA TRP 4 -11.420 3.903 0.431 19 HB2 TRP 4 HB2 TRP 4 -12.060 4.324 -2.491 20 HB3 TRP 4 HB1 TRP 4 -12.322 5.557 -1.264 21 HD1 TRP 4 HD1 TRP 4 -10.089 6.575 -0.103 22 HE1 TRP 4 HE1 TRP 4 -7.718 6.853 -1.040 23 HE3 TRP 4 3HE TRP 4 -10.355 3.270 -3.984 24 HZ2 TRP 4 HZ2 TRP 4 -6.157 5.816 -3.144 25 HZ3 TRP 4 HZ3 TRP 4 -8.381 2.974 -5.413 26 HH2 TRP 4 2HH TRP 4 -6.326 4.221 -5.001 27 H HIS 5 HN HIS 5 -13.828 3.529 -2.111 28 HA HIS 5 HA HIS 5 -15.742 2.780 -0.038 29 HB2 HIS 5 HB2 HIS 5 -16.288 4.660 -2.370 30 HB3 HIS 5 HB1 HIS 5 -17.496 4.071 -1.236 31 HD1 HIS 5 HD1 HIS 5 -17.460 5.089 1.148 32 HD2 HIS 5 HD2 HIS 5 -14.619 6.663 -1.421 33 HE1 HIS 5 HE1 HIS 5 -16.538 7.128 2.301 34 H HIS 6 HN HIS 6 -15.990 3.134 -3.543 35 HA HIS 6 HA HIS 6 -16.672 0.294 -3.606 36 HB2 HIS 6 HB2 HIS 6 -17.292 2.453 -5.637 37 HB3 HIS 6 HB1 HIS 6 -17.652 0.746 -5.863 38 HD1 HIS 6 HD1 HIS 6 -19.606 -0.266 -4.313 39 HD2 HIS 6 HD2 HIS 6 -19.035 3.852 -4.041 40 HE1 HIS 6 HE1 HIS 6 -21.644 0.648 -3.196 41 H SER 7 HN SER 7 -14.307 2.570 -4.566 42 HA SER 7 HA SER 7 -13.102 0.774 -6.458 43 HB2 SER 7 HB2 SER 7 -12.102 3.359 -5.287 44 HB3 SER 7 HB1 SER 7 -11.412 2.519 -6.672 45 HG SER 7 HG SER 7 -12.753 3.543 -7.839 46 H CYS 8 HN CYS 8 -12.082 -0.877 -5.680 47 HA CYS 8 HA CYS 8 -10.577 -0.606 -3.189 48 HB2 CYS 8 HB2 CYS 8 -11.804 -3.114 -4.363 49 HB3 CYS 8 HB1 CYS 8 -10.926 -3.010 -2.845 50 H VAL 9 HN VAL 9 -8.450 -1.186 -3.241 51 HA VAL 9 HA VAL 9 -7.340 -1.479 -5.895 52 HB VAL 9 HB VAL 9 -5.901 -1.102 -3.245 53 HG11 VAL 9 HG11 VAL 9 -4.468 -1.935 -5.028 54 HG12 VAL 9 HG12 VAL 9 -4.050 -0.280 -4.589 55 HG13 VAL 9 3HG1 VAL 9 -4.963 -0.594 -6.066 56 HG21 VAL 9 HG21 VAL 9 -7.428 0.745 -3.608 57 HG22 VAL 9 HG22 VAL 9 -6.776 0.991 -5.228 58 HG23 VAL 9 HG23 VAL 9 -5.760 1.273 -3.814 59 HA PRO 10 HA PRO 10 -6.874 -5.906 -5.487 60 HB2 PRO 10 HB2 PRO 10 -4.687 -6.156 -7.143 61 HB3 PRO 10 HB1 PRO 10 -6.363 -6.113 -7.704 62 HG2 PRO 10 HG2 PRO 10 -4.320 -3.938 -7.635 63 HG3 PRO 10 HG1 PRO 10 -5.557 -4.277 -8.857 64 HD2 PRO 10 HD2 PRO 10 -5.836 -2.301 -7.087 65 HD3 PRO 10 HD1 PRO 10 -7.231 -3.252 -7.627 66 H SER 11 HN SER 11 -5.435 -7.453 -4.693 67 HA SER 11 HA SER 11 -3.794 -6.594 -2.609 68 HB2 SER 11 HB2 SER 11 -4.944 -8.812 -2.764 69 HB3 SER 11 HB1 SER 11 -3.737 -9.297 -3.955 70 HG SER 11 HG SER 11 -3.615 -9.236 -1.282 71 H GLY 12 HN GLY 12 -1.731 -6.254 -2.476 72 HA2 GLY 12 HA2 GLY 12 0.548 -6.598 -3.274 73 HA3 GLY 12 HA1 GLY 12 -0.106 -6.511 -4.913 74 H THR 13 HN THR 13 -0.301 -4.635 -1.947 75 HA THR 13 HA THR 13 -0.034 -2.220 -3.557 76 HB THR 13 HB THR 13 -1.108 -1.156 -1.493 77 HG1 THR 13 HG1 THR 13 -1.989 -3.827 -1.009 78 HG21 THR 13 HG21 THR 13 -2.739 -3.131 -3.085 79 HG22 THR 13 HG22 THR 13 -2.319 -1.496 -3.596 80 HG23 THR 13 HG23 THR 13 -3.372 -1.741 -2.204 81 H CYS 14 HN CYS 14 1.739 -0.969 -3.116 82 HA CYS 14 HA CYS 14 2.922 -1.541 -0.589 83 HB2 CYS 14 HB2 CYS 14 4.138 -2.805 -2.348 84 HB3 CYS 14 HB1 CYS 14 4.576 -1.276 -3.106 85 H ALA 15 HN ALA 15 4.535 0.143 0.035 86 HA ALA 15 HA ALA 15 3.764 2.784 -0.910 87 HB1 ALA 15 HB1 ALA 15 4.072 3.516 1.445 88 HB2 ALA 15 HB2 ALA 15 4.265 1.823 1.912 89 HB3 ALA 15 HB3 ALA 15 2.727 2.388 1.261 90 H ASP 16 HN ASP 16 5.502 4.018 -1.317 91 HA ASP 16 HA ASP 16 8.059 2.628 -1.272 92 HB2 ASP 16 HB2 ASP 16 7.168 5.112 -2.750 93 HB3 ASP 16 HB1 ASP 16 8.785 4.428 -2.831 94 H PHE 17 HN PHE 17 9.222 2.996 0.451 95 HA PHE 17 HA PHE 17 9.257 5.706 1.527 96 HB2 PHE 17 HB2 PHE 17 9.605 3.023 2.837 97 HB3 PHE 17 HB1 PHE 17 10.207 4.492 3.589 98 HD1 PHE 17 HD1 PHE 17 7.198 2.674 2.536 99 HD2 PHE 17 HD2 PHE 17 8.752 6.064 4.559 100 HE1 PHE 17 HE1 PHE 17 4.980 3.121 3.500 101 HE2 PHE 17 HE2 PHE 17 6.557 6.516 5.516 102 HZ PHE 17 HZ PHE 17 4.658 5.046 4.985 103 HA PRO 18 HA PRO 18 13.538 5.852 0.465 104 HB2 PRO 18 HB2 PRO 18 14.528 7.397 2.470 105 HB3 PRO 18 HB1 PRO 18 13.558 8.067 1.156 106 HG2 PRO 18 HG2 PRO 18 12.718 7.328 3.932 107 HG3 PRO 18 HG1 PRO 18 12.290 8.760 2.981 108 HD2 PRO 18 HD2 PRO 18 10.639 6.643 3.247 109 HD3 PRO 18 HD1 PRO 18 10.680 7.625 1.772 110 H TRP 19 HN TRP 19 15.677 5.319 1.436 111 HA TRP 19 HA TRP 19 15.375 2.927 2.901 112 HB2 TRP 19 HB2 TRP 19 17.603 4.213 1.468 113 HB3 TRP 19 HB1 TRP 19 18.039 3.078 2.753 114 HD1 TRP 19 HD1 TRP 19 15.606 3.111 -0.279 115 HE1 TRP 19 HE1 TRP 19 15.546 0.743 -1.249 116 HE3 TRP 19 3HE TRP 19 18.782 0.833 3.011 117 HZ2 TRP 19 HZ2 TRP 19 16.703 -1.762 -0.683 118 HZ3 TRP 19 HZ3 TRP 19 19.259 -1.560 2.724 119 HH2 TRP 19 2HH TRP 19 18.244 -2.835 0.910 120 HA PRO 20 HA PRO 20 16.737 1.543 3.820 121 HB2 PRO 20 HB2 PRO 20 17.117 0.123 5.991 122 HB3 PRO 20 HB1 PRO 20 18.382 1.246 5.466 123 HG2 PRO 20 HG2 PRO 20 16.390 1.536 7.676 124 HG3 PRO 20 HG1 PRO 20 18.085 2.040 7.625 125 HD2 PRO 20 HD2 PRO 20 15.841 3.678 7.137 126 HD3 PRO 20 HD1 PRO 20 17.527 4.085 6.768 127 H LEU 21 HN LEU 21 14.176 2.926 4.917 128 HA LEU 21 HA LEU 21 12.520 0.825 5.876 129 HB2 LEU 21 HB2 LEU 21 12.027 3.358 4.443 130 HB3 LEU 21 HB1 LEU 21 10.689 2.371 5.036 131 HG LEU 21 HG LEU 21 12.807 3.737 6.721 132 HD11 LEU 21 HD11 LEU 21 9.899 4.390 6.254 133 HD12 LEU 21 HD12 LEU 21 11.280 5.316 5.664 134 HD13 LEU 21 HD13 LEU 21 10.967 5.204 7.394 135 HD21 LEU 21 HD21 LEU 21 11.957 1.681 7.753 136 HD22 LEU 21 HD22 LEU 21 10.305 2.243 7.511 137 HD23 LEU 21 HD23 LEU 21 11.376 3.109 8.608 138 H GLY 22 HN GLY 22 12.798 2.416 2.718 139 HA2 GLY 22 HA2 GLY 22 12.491 1.680 0.582 140 HA3 GLY 22 HA1 GLY 22 12.910 0.082 1.179 141 H HIS 23 HN HIS 23 11.441 -1.358 0.783 142 HA HIS 23 HA HIS 23 8.742 -0.538 0.194 143 HB2 HIS 23 HB2 HIS 23 10.067 -3.244 0.017 144 HB3 HIS 23 HB1 HIS 23 8.378 -2.953 -0.365 145 HD1 HIS 23 HD1 HIS 23 11.154 -3.663 -2.180 146 HD2 HIS 23 HD2 HIS 23 8.566 -0.421 -2.277 147 HE1 HIS 23 HE1 HIS 23 11.345 -2.682 -4.498 148 H GLN 24 HN GLN 24 8.084 0.108 2.201 149 HA GLN 24 HA GLN 24 7.901 -1.800 4.350 150 HB2 GLN 24 HB2 GLN 24 6.484 0.835 3.926 151 HB3 GLN 24 HB1 GLN 24 6.247 -0.168 5.350 152 HG2 GLN 24 HG2 GLN 24 8.873 1.019 4.476 153 HG3 GLN 24 HG1 GLN 24 7.834 1.657 5.750 154 HE21 GLN 24 1HE2 GLN 24 10.086 -0.848 4.862 155 HE22 GLN 24 2HE2 GLN 24 10.256 -1.520 6.423 156 H CYS 25 HN CYS 25 5.813 -0.622 1.888 157 HA CYS 25 HA CYS 25 4.033 -1.371 0.839 158 HB2 CYS 25 HB2 CYS 25 4.833 -4.065 1.930 159 HB3 CYS 25 HB1 CYS 25 3.647 -3.821 0.652 160 H PHE 26 HN PHE 26 1.807 -2.572 1.004 161 HA PHE 26 HA PHE 26 0.724 -1.912 3.620 162 HB2 PHE 26 HB2 PHE 26 -0.534 -1.921 0.876 163 HB3 PHE 26 HB1 PHE 26 -1.481 -1.841 2.350 164 HD1 PHE 26 HD1 PHE 26 0.579 -0.034 0.006 165 HD2 PHE 26 HD2 PHE 26 -1.309 0.107 3.802 166 HE1 PHE 26 HE1 PHE 26 0.784 2.413 0.001 167 HE2 PHE 26 HE2 PHE 26 -1.109 2.572 3.818 168 HZ PHE 26 HZ PHE 26 -0.061 3.724 1.910 169 HA PRO 27 HA PRO 27 -0.443 -6.203 4.036 170 HB2 PRO 27 HB2 PRO 27 -2.821 -5.272 5.484 171 HB3 PRO 27 HB1 PRO 27 -1.474 -6.261 6.083 172 HG2 PRO 27 HG2 PRO 27 -1.799 -3.728 6.875 173 HG3 PRO 27 HG1 PRO 27 -0.179 -4.387 6.567 174 HD2 PRO 27 HD2 PRO 27 -1.893 -2.674 4.803 175 HD3 PRO 27 HD1 PRO 27 -0.165 -2.519 5.201 176 H ASP 28 HN ASP 28 -1.035 -6.762 2.053 177 HA ASP 28 HA ASP 28 -2.286 -7.599 0.400 178 HB2 ASP 28 HB2 ASP 28 -3.815 -8.459 2.171 179 HB3 ASP 28 HB1 ASP 28 -4.722 -6.955 2.090 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -5.247 -4.685 1.646 2 HA2 GLY 1 HA2 GLY 1 -4.536 -3.757 -0.909 3 HA3 GLY 1 HA1 GLY 1 -5.543 -5.201 -1.033 4 H PHE 2 HN PHE 2 -5.337 -2.126 0.595 5 HA PHE 2 HA PHE 2 -7.948 -2.116 1.466 6 HB2 PHE 2 HB2 PHE 2 -7.528 0.474 1.636 7 HB3 PHE 2 HB1 PHE 2 -6.742 -0.661 2.718 8 HD1 PHE 2 HD1 PHE 2 -4.435 -0.724 2.880 9 HD2 PHE 2 HD2 PHE 2 -6.234 1.254 -0.410 10 HE1 PHE 2 HE1 PHE 2 -2.239 0.165 2.234 11 HE2 PHE 2 HE2 PHE 2 -4.037 2.156 -1.064 12 HZ PHE 2 HZ PHE 2 -2.042 1.605 0.256 13 H CYS 3 HN CYS 3 -9.774 -1.386 0.848 14 HA CYS 3 HA CYS 3 -10.201 -0.041 -1.679 15 HB2 CYS 3 HB2 CYS 3 -10.121 -2.333 -2.408 16 HB3 CYS 3 HB1 CYS 3 -11.065 -2.861 -1.034 17 H TRP 4 HN TRP 4 -11.502 1.543 -1.003 18 HA TRP 4 HA TRP 4 -13.367 0.894 1.162 19 HB2 TRP 4 HB2 TRP 4 -12.547 3.702 0.309 20 HB3 TRP 4 HB1 TRP 4 -13.386 3.224 1.780 21 HD1 TRP 4 HD1 TRP 4 -11.844 2.077 3.699 22 HE1 TRP 4 HE1 TRP 4 -9.300 2.247 4.126 23 HE3 TRP 4 3HE TRP 4 -10.359 3.909 -0.834 24 HZ2 TRP 4 HZ2 TRP 4 -6.998 3.057 2.736 25 HZ3 TRP 4 HZ3 TRP 4 -7.975 4.363 -1.203 26 HH2 TRP 4 2HH TRP 4 -6.330 3.945 0.544 27 H HIS 5 HN HIS 5 -13.658 3.614 -1.082 28 HA HIS 5 HA HIS 5 -15.934 2.281 -2.243 29 HB2 HIS 5 HB2 HIS 5 -17.090 4.545 -2.339 30 HB3 HIS 5 HB1 HIS 5 -16.981 3.815 -0.746 31 HD1 HIS 5 HD1 HIS 5 -15.991 6.847 -2.677 32 HD2 HIS 5 HD2 HIS 5 -15.181 5.120 1.009 33 HE1 HIS 5 HE1 HIS 5 -14.951 8.644 -1.283 34 H HIS 6 HN HIS 6 -15.259 1.788 -4.132 35 HA HIS 6 HA HIS 6 -14.725 1.946 -6.288 36 HB2 HIS 6 HB2 HIS 6 -14.681 4.937 -5.855 37 HB3 HIS 6 HB1 HIS 6 -14.387 4.182 -7.415 38 HD1 HIS 6 HD1 HIS 6 -16.434 4.302 -8.830 39 HD2 HIS 6 HD2 HIS 6 -17.344 3.874 -4.804 40 HE1 HIS 6 HE1 HIS 6 -18.936 4.304 -8.685 41 H SER 7 HN SER 7 -12.702 3.983 -4.267 42 HA SER 7 HA SER 7 -10.385 3.422 -5.841 43 HB2 SER 7 HB2 SER 7 -10.560 4.513 -3.048 44 HB3 SER 7 HB1 SER 7 -9.191 4.649 -4.146 45 HG SER 7 HG SER 7 -11.318 5.551 -5.444 46 H CYS 8 HN CYS 8 -9.565 1.474 -5.840 47 HA CYS 8 HA CYS 8 -9.315 -0.034 -3.368 48 HB2 CYS 8 HB2 CYS 8 -10.429 -1.135 -5.946 49 HB3 CYS 8 HB1 CYS 8 -10.135 -2.051 -4.472 50 H VAL 9 HN VAL 9 -7.410 -0.852 -3.144 51 HA VAL 9 HA VAL 9 -5.620 -0.952 -5.454 52 HB VAL 9 HB VAL 9 -4.985 -0.809 -2.481 53 HG11 VAL 9 HG11 VAL 9 -2.694 -0.323 -3.165 54 HG12 VAL 9 HG12 VAL 9 -3.137 -0.587 -4.852 55 HG13 VAL 9 3HG1 VAL 9 -3.208 -1.924 -3.698 56 HG21 VAL 9 HG21 VAL 9 -4.885 1.330 -4.596 57 HG22 VAL 9 HG22 VAL 9 -4.233 1.494 -2.973 58 HG23 VAL 9 HG23 VAL 9 -5.970 1.257 -3.205 59 HA PRO 10 HA PRO 10 -5.858 -5.422 -5.058 60 HB2 PRO 10 HB2 PRO 10 -3.492 -6.005 -6.303 61 HB3 PRO 10 HB1 PRO 10 -5.005 -5.685 -7.168 62 HG2 PRO 10 HG2 PRO 10 -2.679 -3.884 -6.651 63 HG3 PRO 10 HG1 PRO 10 -3.695 -4.010 -8.093 64 HD2 PRO 10 HD2 PRO 10 -3.981 -2.015 -6.311 65 HD3 PRO 10 HD1 PRO 10 -5.368 -2.694 -7.185 66 H SER 11 HN SER 11 -4.656 -7.191 -4.171 67 HA SER 11 HA SER 11 -3.479 -6.654 -1.701 68 HB2 SER 11 HB2 SER 11 -3.382 -9.181 -3.344 69 HB3 SER 11 HB1 SER 11 -3.135 -9.060 -1.600 70 HG SER 11 HG SER 11 -5.326 -7.968 -1.736 71 H GLY 12 HN GLY 12 -1.519 -6.279 -1.137 72 HA2 GLY 12 HA2 GLY 12 0.892 -6.812 -1.246 73 HA3 GLY 12 HA1 GLY 12 0.740 -6.746 -3.002 74 H THR 13 HN THR 13 -0.460 -4.629 -0.444 75 HA THR 13 HA THR 13 -0.081 -2.330 -1.932 76 HB THR 13 HB THR 13 -0.586 -1.288 0.382 77 HG1 THR 13 HG1 THR 13 0.027 -3.448 1.381 78 HG21 THR 13 HG21 THR 13 -2.952 -1.913 0.125 79 HG22 THR 13 HG22 THR 13 -2.476 -3.214 -0.968 80 HG23 THR 13 HG23 THR 13 -2.211 -1.534 -1.430 81 H CYS 14 HN CYS 14 1.679 -1.313 -2.366 82 HA CYS 14 HA CYS 14 3.703 -0.826 -0.314 83 HB2 CYS 14 HB2 CYS 14 4.159 -1.774 -3.139 84 HB3 CYS 14 HB1 CYS 14 5.384 -0.943 -2.187 85 H ALA 15 HN ALA 15 4.719 1.246 -0.560 86 HA ALA 15 HA ALA 15 3.899 2.874 -2.835 87 HB1 ALA 15 HB1 ALA 15 3.339 4.772 -1.368 88 HB2 ALA 15 HB2 ALA 15 3.596 3.757 0.046 89 HB3 ALA 15 HB3 ALA 15 2.263 3.408 -1.058 90 H ASP 16 HN ASP 16 5.354 4.812 -3.002 91 HA ASP 16 HA ASP 16 7.995 3.891 -2.616 92 HB2 ASP 16 HB2 ASP 16 8.812 5.935 -3.673 93 HB3 ASP 16 HB1 ASP 16 7.445 5.307 -4.569 94 H PHE 17 HN PHE 17 8.450 3.548 -0.600 95 HA PHE 17 HA PHE 17 8.763 5.848 1.122 96 HB2 PHE 17 HB2 PHE 17 8.122 3.021 1.420 97 HB3 PHE 17 HB1 PHE 17 9.111 3.599 2.719 98 HD1 PHE 17 HD1 PHE 17 7.917 4.416 4.523 99 HD2 PHE 17 HD2 PHE 17 6.170 4.743 0.692 100 HE1 PHE 17 HE1 PHE 17 5.990 5.591 5.503 101 HE2 PHE 17 HE2 PHE 17 4.237 5.873 1.626 102 HZ PHE 17 HZ PHE 17 4.124 6.315 4.060 103 HA PRO 18 HA PRO 18 13.152 6.121 0.871 104 HB2 PRO 18 HB2 PRO 18 13.823 5.640 3.568 105 HB3 PRO 18 HB1 PRO 18 13.523 7.212 2.823 106 HG2 PRO 18 HG2 PRO 18 11.680 5.477 4.399 107 HG3 PRO 18 HG1 PRO 18 11.790 7.246 4.341 108 HD2 PRO 18 HD2 PRO 18 9.814 5.980 3.106 109 HD3 PRO 18 HD1 PRO 18 10.611 7.370 2.333 110 H TRP 19 HN TRP 19 15.029 4.899 0.754 111 HA TRP 19 HA TRP 19 14.630 2.332 0.059 112 HB2 TRP 19 HB2 TRP 19 17.080 3.924 0.463 113 HB3 TRP 19 HB1 TRP 19 17.266 2.175 0.327 114 HD1 TRP 19 HD1 TRP 19 16.250 5.231 -1.710 115 HE1 TRP 19 HE1 TRP 19 16.038 4.528 -4.170 116 HE3 TRP 19 3HE TRP 19 16.809 0.177 -1.171 117 HZ2 TRP 19 HZ2 TRP 19 16.086 2.146 -5.665 118 HZ3 TRP 19 HZ3 TRP 19 16.713 -1.240 -3.167 119 HH2 TRP 19 2HH TRP 19 16.365 -0.275 -5.376 120 HA PRO 20 HA PRO 20 14.996 0.518 -0.413 121 HB2 PRO 20 HB2 PRO 20 13.942 -1.879 -0.077 122 HB3 PRO 20 HB1 PRO 20 15.662 -1.624 0.264 123 HG2 PRO 20 HG2 PRO 20 13.355 -1.685 2.176 124 HG3 PRO 20 HG1 PRO 20 14.892 -2.575 2.297 125 HD2 PRO 20 HD2 PRO 20 14.428 -0.233 3.620 126 HD3 PRO 20 HD1 PRO 20 16.042 -0.687 3.034 127 H LEU 21 HN LEU 21 12.779 0.801 2.144 128 HA LEU 21 HA LEU 21 10.663 1.888 0.901 129 HB2 LEU 21 HB2 LEU 21 10.749 -0.844 0.108 130 HB3 LEU 21 HB1 LEU 21 9.801 -0.671 1.601 131 HG LEU 21 HG LEU 21 8.567 -0.749 -0.563 132 HD11 LEU 21 HD11 LEU 21 8.147 1.152 1.693 133 HD12 LEU 21 HD12 LEU 21 7.377 -0.402 1.385 134 HD13 LEU 21 HD13 LEU 21 6.952 1.004 0.403 135 HD21 LEU 21 HD21 LEU 21 9.808 0.912 -1.793 136 HD22 LEU 21 HD22 LEU 21 9.436 2.131 -0.569 137 HD23 LEU 21 HD23 LEU 21 8.148 1.471 -1.559 138 H GLY 22 HN GLY 22 11.046 2.799 2.850 139 HA2 GLY 22 HA2 GLY 22 11.075 1.771 5.396 140 HA3 GLY 22 HA1 GLY 22 10.419 3.347 5.016 141 H HIS 23 HN HIS 23 9.568 -0.052 5.174 142 HA HIS 23 HA HIS 23 7.907 -1.140 6.086 143 HB2 HIS 23 HB2 HIS 23 7.498 1.374 7.661 144 HB3 HIS 23 HB1 HIS 23 6.557 -0.082 7.941 145 HD1 HIS 23 HD1 HIS 23 7.612 -1.819 9.481 146 HD2 HIS 23 HD2 HIS 23 10.304 1.082 8.205 147 HE1 HIS 23 HE1 HIS 23 9.712 -2.175 10.817 148 H GLN 24 HN GLN 24 7.034 1.058 3.791 149 HA GLN 24 HA GLN 24 4.233 0.772 4.411 150 HB2 GLN 24 HB2 GLN 24 5.152 2.902 3.575 151 HB3 GLN 24 HB1 GLN 24 5.499 2.127 2.045 152 HG2 GLN 24 HG2 GLN 24 3.510 3.558 2.072 153 HG3 GLN 24 HG1 GLN 24 3.191 1.922 1.528 154 HE21 GLN 24 1HE2 GLN 24 3.555 2.977 4.918 155 HE22 GLN 24 2HE2 GLN 24 1.914 2.677 5.351 156 H CYS 25 HN CYS 25 6.336 -1.269 3.073 157 HA CYS 25 HA CYS 25 4.369 -2.380 1.253 158 HB2 CYS 25 HB2 CYS 25 7.209 -3.142 1.864 159 HB3 CYS 25 HB1 CYS 25 6.109 -4.324 1.155 160 H PHE 26 HN PHE 26 2.755 -3.433 2.148 161 HA PHE 26 HA PHE 26 3.398 -5.508 4.003 162 HB2 PHE 26 HB2 PHE 26 1.640 -4.867 5.652 163 HB3 PHE 26 HB1 PHE 26 2.925 -3.682 5.558 164 HD1 PHE 26 HD1 PHE 26 -0.595 -4.330 5.146 165 HD2 PHE 26 HD2 PHE 26 2.494 -1.492 4.461 166 HE1 PHE 26 HE1 PHE 26 -2.279 -2.585 4.853 167 HE2 PHE 26 HE2 PHE 26 0.811 0.271 4.160 168 HZ PHE 26 HZ PHE 26 -1.584 -0.268 4.357 169 HA PRO 27 HA PRO 27 0.379 -7.454 1.538 170 HB2 PRO 27 HB2 PRO 27 -0.373 -9.377 3.527 171 HB3 PRO 27 HB1 PRO 27 0.719 -9.595 2.158 172 HG2 PRO 27 HG2 PRO 27 1.523 -9.605 4.801 173 HG3 PRO 27 HG1 PRO 27 2.582 -9.234 3.434 174 HD2 PRO 27 HD2 PRO 27 1.205 -7.366 5.325 175 HD3 PRO 27 HD1 PRO 27 2.827 -7.262 4.603 176 H ASP 28 HN ASP 28 -1.261 -6.030 1.348 177 HA ASP 28 HA ASP 28 -3.740 -6.756 2.548 178 HB2 ASP 28 HB2 ASP 28 -2.651 -5.042 4.189 179 HB3 ASP 28 HB1 ASP 28 -2.894 -3.860 2.911 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -4.443 -5.224 1.543 2 HA2 GLY 1 HA2 GLY 1 -3.118 -4.054 -0.680 3 HA3 GLY 1 HA1 GLY 1 -4.820 -4.396 -0.999 4 H PHE 2 HN PHE 2 -5.338 -2.152 -1.060 5 HA PHE 2 HA PHE 2 -5.972 -1.152 1.503 6 HB2 PHE 2 HB2 PHE 2 -4.787 1.048 1.278 7 HB3 PHE 2 HB1 PHE 2 -3.714 -0.311 1.537 8 HD1 PHE 2 HD1 PHE 2 -4.560 2.463 -0.585 9 HD2 PHE 2 HD2 PHE 2 -2.402 -1.200 -0.432 10 HE1 PHE 2 HE1 PHE 2 -3.203 3.179 -2.505 11 HE2 PHE 2 HE2 PHE 2 -1.049 -0.490 -2.352 12 HZ PHE 2 HZ PHE 2 -1.446 1.702 -3.391 13 H CYS 3 HN CYS 3 -7.568 0.371 1.471 14 HA CYS 3 HA CYS 3 -8.479 1.385 -1.076 15 HB2 CYS 3 HB2 CYS 3 -9.541 -0.825 -0.986 16 HB3 CYS 3 HB1 CYS 3 -10.168 -0.469 0.622 17 H TRP 4 HN TRP 4 -9.833 3.129 -0.828 18 HA TRP 4 HA TRP 4 -10.185 3.998 1.950 19 HB2 TRP 4 HB2 TRP 4 -9.910 5.810 -0.461 20 HB3 TRP 4 HB1 TRP 4 -9.972 6.311 1.230 21 HD1 TRP 4 HD1 TRP 4 -7.737 5.524 2.704 22 HE1 TRP 4 HE1 TRP 4 -5.286 5.372 1.927 23 HE3 TRP 4 3HE TRP 4 -8.487 5.365 -2.338 24 HZ2 TRP 4 HZ2 TRP 4 -3.864 5.214 -0.500 25 HZ3 TRP 4 HZ3 TRP 4 -6.532 5.212 -3.822 26 HH2 TRP 4 2HH TRP 4 -4.270 5.139 -2.917 27 H HIS 5 HN HIS 5 -11.619 5.516 -0.923 28 HA HIS 5 HA HIS 5 -14.218 4.463 -0.081 29 HB2 HIS 5 HB2 HIS 5 -13.646 7.242 -1.174 30 HB3 HIS 5 HB1 HIS 5 -15.225 6.615 -0.729 31 HD1 HIS 5 HD1 HIS 5 -15.764 6.520 1.856 32 HD2 HIS 5 HD2 HIS 5 -12.035 8.087 0.909 33 HE1 HIS 5 HE1 HIS 5 -14.928 7.644 3.943 34 H HIS 6 HN HIS 6 -14.492 2.960 -1.621 35 HA HIS 6 HA HIS 6 -14.984 2.013 -3.580 36 HB2 HIS 6 HB2 HIS 6 -14.974 4.831 -4.677 37 HB3 HIS 6 HB1 HIS 6 -15.320 3.425 -5.673 38 HD1 HIS 6 HD1 HIS 6 -17.762 2.814 -5.807 39 HD2 HIS 6 HD2 HIS 6 -16.868 5.088 -2.442 40 HE1 HIS 6 HE1 HIS 6 -19.956 3.300 -4.690 41 H SER 7 HN SER 7 -12.320 4.264 -3.771 42 HA SER 7 HA SER 7 -10.953 2.851 -5.834 43 HB2 SER 7 HB2 SER 7 -9.850 4.731 -3.784 44 HB3 SER 7 HB1 SER 7 -9.172 4.386 -5.375 45 HG SER 7 HG SER 7 -11.610 5.129 -5.839 46 H CYS 8 HN CYS 8 -10.515 0.810 -5.323 47 HA CYS 8 HA CYS 8 -9.111 0.216 -2.803 48 HB2 CYS 8 HB2 CYS 8 -10.946 -1.630 -4.343 49 HB3 CYS 8 HB1 CYS 8 -10.091 -2.034 -2.870 50 H VAL 9 HN VAL 9 -7.162 -0.684 -3.061 51 HA VAL 9 HA VAL 9 -6.399 -1.478 -5.740 52 HB VAL 9 HB VAL 9 -4.669 -1.005 -3.280 53 HG11 VAL 9 HG11 VAL 9 -3.557 -2.479 -4.855 54 HG12 VAL 9 HG12 VAL 9 -2.817 -0.873 -4.907 55 HG13 VAL 9 3HG1 VAL 9 -3.923 -1.369 -6.176 56 HG21 VAL 9 HG21 VAL 9 -5.204 0.803 -5.636 57 HG22 VAL 9 HG22 VAL 9 -4.046 1.113 -4.340 58 HG23 VAL 9 HG23 VAL 9 -5.770 1.045 -3.983 59 HA PRO 10 HA PRO 10 -7.233 -5.722 -4.761 60 HB2 PRO 10 HB2 PRO 10 -5.377 -6.814 -6.493 61 HB3 PRO 10 HB1 PRO 10 -7.029 -6.335 -6.913 62 HG2 PRO 10 HG2 PRO 10 -4.465 -4.848 -7.279 63 HG3 PRO 10 HG1 PRO 10 -5.865 -4.957 -8.361 64 HD2 PRO 10 HD2 PRO 10 -5.447 -2.798 -6.899 65 HD3 PRO 10 HD1 PRO 10 -7.097 -3.417 -7.124 66 H SER 11 HN SER 11 -6.220 -7.748 -4.189 67 HA SER 11 HA SER 11 -4.353 -7.413 -2.084 68 HB2 SER 11 HB2 SER 11 -6.247 -9.106 -2.180 69 HB3 SER 11 HB1 SER 11 -5.298 -9.993 -3.367 70 HG SER 11 HG SER 11 -5.095 -9.808 -0.676 71 H GLY 12 HN GLY 12 -2.231 -7.885 -2.082 72 HA2 GLY 12 HA2 GLY 12 -0.235 -8.893 -2.904 73 HA3 GLY 12 HA1 GLY 12 -1.020 -9.063 -4.472 74 H THR 13 HN THR 13 -0.565 -6.342 -2.274 75 HA THR 13 HA THR 13 0.725 -4.938 -4.480 76 HB THR 13 HB THR 13 -1.435 -3.741 -2.725 77 HG1 THR 13 HG1 THR 13 -2.590 -4.830 -4.192 78 HG21 THR 13 HG21 THR 13 -1.233 -1.801 -4.207 79 HG22 THR 13 HG22 THR 13 0.042 -2.610 -5.114 80 HG23 THR 13 HG23 THR 13 0.318 -2.142 -3.437 81 H CYS 14 HN CYS 14 2.502 -3.916 -3.905 82 HA CYS 14 HA CYS 14 2.932 -3.329 -1.090 83 HB2 CYS 14 HB2 CYS 14 4.595 -4.940 -2.005 84 HB3 CYS 14 HB1 CYS 14 4.987 -3.800 -3.285 85 H ALA 15 HN ALA 15 4.223 -1.258 -0.825 86 HA ALA 15 HA ALA 15 3.697 0.613 -2.979 87 HB1 ALA 15 HB1 ALA 15 2.964 2.287 -1.354 88 HB2 ALA 15 HB2 ALA 15 3.100 1.095 -0.064 89 HB3 ALA 15 HB3 ALA 15 1.898 0.882 -1.343 90 H ASP 16 HN ASP 16 5.234 2.142 -3.184 91 HA ASP 16 HA ASP 16 7.730 1.565 -1.810 92 HB2 ASP 16 HB2 ASP 16 7.136 3.370 -4.153 93 HB3 ASP 16 HB1 ASP 16 8.726 3.162 -3.439 94 H PHE 17 HN PHE 17 8.568 2.799 -0.355 95 HA PHE 17 HA PHE 17 7.485 5.477 0.018 96 HB2 PHE 17 HB2 PHE 17 8.231 3.415 2.104 97 HB3 PHE 17 HB1 PHE 17 7.896 5.100 2.478 98 HD1 PHE 17 HD1 PHE 17 5.638 6.009 1.853 99 HD2 PHE 17 HD2 PHE 17 6.511 1.863 1.970 100 HE1 PHE 17 HE1 PHE 17 3.258 5.532 1.998 101 HE2 PHE 17 HE2 PHE 17 4.110 1.352 2.119 102 HZ PHE 17 HZ PHE 17 2.471 3.183 2.132 103 HA PRO 18 HA PRO 18 11.753 6.596 -0.090 104 HB2 PRO 18 HB2 PRO 18 11.861 8.716 1.609 105 HB3 PRO 18 HB1 PRO 18 11.117 8.830 0.011 106 HG2 PRO 18 HG2 PRO 18 9.841 8.512 2.682 107 HG3 PRO 18 HG1 PRO 18 9.311 9.485 1.300 108 HD2 PRO 18 HD2 PRO 18 8.264 7.050 1.964 109 HD3 PRO 18 HD1 PRO 18 8.238 7.684 0.317 110 H TRP 19 HN TRP 19 13.653 6.852 1.399 111 HA TRP 19 HA TRP 19 13.420 4.814 3.349 112 HB2 TRP 19 HB2 TRP 19 15.702 6.237 2.128 113 HB3 TRP 19 HB1 TRP 19 15.959 5.501 3.719 114 HD1 TRP 19 HD1 TRP 19 14.536 4.461 0.276 115 HE1 TRP 19 HE1 TRP 19 15.031 1.960 -0.031 116 HE3 TRP 19 3HE TRP 19 16.802 3.505 4.756 117 HZ2 TRP 19 HZ2 TRP 19 16.202 -0.110 1.413 118 HZ3 TRP 19 HZ3 TRP 19 17.585 1.222 5.204 119 HH2 TRP 19 2HH TRP 19 17.293 -0.549 3.565 120 HA PRO 20 HA PRO 20 14.789 4.043 4.893 121 HB2 PRO 20 HB2 PRO 20 14.858 3.342 7.451 122 HB3 PRO 20 HB1 PRO 20 16.021 4.511 6.817 123 HG2 PRO 20 HG2 PRO 20 13.659 4.956 8.559 124 HG3 PRO 20 HG1 PRO 20 15.172 5.867 8.463 125 HD2 PRO 20 HD2 PRO 20 12.669 6.515 7.241 126 HD3 PRO 20 HD1 PRO 20 14.212 7.364 7.048 127 H LEU 21 HN LEU 21 11.890 4.790 4.737 128 HA LEU 21 HA LEU 21 10.584 2.558 5.975 129 HB2 LEU 21 HB2 LEU 21 9.832 4.531 3.890 130 HB3 LEU 21 HB1 LEU 21 8.683 3.324 4.476 131 HG LEU 21 HG LEU 21 9.932 5.572 6.089 132 HD11 LEU 21 HD11 LEU 21 7.671 6.504 6.113 133 HD12 LEU 21 HD12 LEU 21 7.123 5.197 5.060 134 HD13 LEU 21 HD13 LEU 21 8.299 6.373 4.470 135 HD21 LEU 21 HD21 LEU 21 9.483 3.616 7.476 136 HD22 LEU 21 HD22 LEU 21 7.844 3.534 6.831 137 HD23 LEU 21 HD23 LEU 21 8.328 4.905 7.832 138 H GLY 22 HN GLY 22 11.048 3.543 2.579 139 HA2 GLY 22 HA2 GLY 22 11.582 2.336 0.711 140 HA3 GLY 22 HA1 GLY 22 12.191 1.083 1.787 141 H HIS 23 HN HIS 23 11.289 -0.772 1.236 142 HA HIS 23 HA HIS 23 8.599 -0.849 0.188 143 HB2 HIS 23 HB2 HIS 23 10.536 -3.125 0.735 144 HB3 HIS 23 HB1 HIS 23 8.967 -3.303 -0.026 145 HD1 HIS 23 HD1 HIS 23 8.823 -2.699 -2.569 146 HD2 HIS 23 HD2 HIS 23 12.552 -2.056 -0.852 147 HE1 HIS 23 HE1 HIS 23 10.392 -2.267 -4.468 148 H GLN 24 HN GLN 24 7.462 -0.149 1.972 149 HA GLN 24 HA GLN 24 7.490 -1.755 4.383 150 HB2 GLN 24 HB2 GLN 24 5.608 0.448 3.506 151 HB3 GLN 24 HB1 GLN 24 5.472 -0.391 5.042 152 HG2 GLN 24 HG2 GLN 24 7.898 1.168 4.171 153 HG3 GLN 24 HG1 GLN 24 6.606 1.823 5.171 154 HE21 GLN 24 1HE2 GLN 24 6.235 -0.637 6.721 155 HE22 GLN 24 2HE2 GLN 24 7.609 -0.769 7.737 156 H CYS 25 HN CYS 25 5.502 -1.395 1.554 157 HA CYS 25 HA CYS 25 3.998 -2.687 0.516 158 HB2 CYS 25 HB2 CYS 25 5.100 -4.880 2.276 159 HB3 CYS 25 HB1 CYS 25 4.079 -5.138 0.863 160 H PHE 26 HN PHE 26 1.981 -4.170 0.822 161 HA PHE 26 HA PHE 26 0.760 -3.589 3.393 162 HB2 PHE 26 HB2 PHE 26 -0.426 -3.442 0.617 163 HB3 PHE 26 HB1 PHE 26 -1.432 -3.602 2.050 164 HD1 PHE 26 HD1 PHE 26 0.962 -1.394 0.298 165 HD2 PHE 26 HD2 PHE 26 -1.866 -1.760 3.452 166 HE1 PHE 26 HE1 PHE 26 0.995 1.049 0.617 167 HE2 PHE 26 HE2 PHE 26 -1.834 0.673 3.771 168 HZ PHE 26 HZ PHE 26 -0.399 2.081 2.350 169 HA PRO 27 HA PRO 27 0.379 -7.989 3.894 170 HB2 PRO 27 HB2 PRO 27 -2.298 -7.183 4.962 171 HB3 PRO 27 HB1 PRO 27 -1.101 -8.277 5.668 172 HG2 PRO 27 HG2 PRO 27 -1.361 -5.824 6.613 173 HG3 PRO 27 HG1 PRO 27 0.247 -6.538 6.398 174 HD2 PRO 27 HD2 PRO 27 -1.124 -4.457 4.762 175 HD3 PRO 27 HD1 PRO 27 0.596 -4.658 5.147 176 H ASP 28 HN ASP 28 -2.657 -6.361 3.017 177 HA ASP 28 HA ASP 28 -3.053 -8.438 0.972 178 HB2 ASP 28 HB2 ASP 28 -4.791 -8.534 2.718 179 HB3 ASP 28 HB1 ASP 28 -5.183 -6.844 2.425 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -5.286 -6.088 0.695 2 HA2 GLY 1 HA2 GLY 1 -4.031 -3.839 -0.487 3 HA3 GLY 1 HA1 GLY 1 -5.627 -4.456 -0.875 4 H PHE 2 HN PHE 2 -4.660 -1.720 -0.585 5 HA PHE 2 HA PHE 2 -6.137 -0.818 1.753 6 HB2 PHE 2 HB2 PHE 2 -5.047 1.378 1.364 7 HB3 PHE 2 HB1 PHE 2 -3.880 0.089 1.585 8 HD1 PHE 2 HD1 PHE 2 -2.672 -0.822 -0.482 9 HD2 PHE 2 HD2 PHE 2 -5.052 2.711 -0.558 10 HE1 PHE 2 HE1 PHE 2 -1.555 -0.116 -2.540 11 HE2 PHE 2 HE2 PHE 2 -3.939 3.411 -2.618 12 HZ PHE 2 HZ PHE 2 -2.184 2.001 -3.618 13 H CYS 3 HN CYS 3 -8.029 0.231 1.596 14 HA CYS 3 HA CYS 3 -8.929 1.107 -1.034 15 HB2 CYS 3 HB2 CYS 3 -10.536 -0.677 0.815 16 HB3 CYS 3 HB1 CYS 3 -11.038 -0.056 -0.754 17 H TRP 4 HN TRP 4 -10.562 2.706 -0.886 18 HA TRP 4 HA TRP 4 -11.023 3.707 1.828 19 HB2 TRP 4 HB2 TRP 4 -10.665 5.351 -0.687 20 HB3 TRP 4 HB1 TRP 4 -11.176 6.008 0.863 21 HD1 TRP 4 HD1 TRP 4 -9.285 5.766 2.898 22 HE1 TRP 4 HE1 TRP 4 -6.729 5.959 2.748 23 HE3 TRP 4 3HE TRP 4 -8.707 4.995 -2.118 24 HZ2 TRP 4 HZ2 TRP 4 -4.726 5.830 0.763 25 HZ3 TRP 4 HZ3 TRP 4 -6.437 5.054 -3.067 26 HH2 TRP 4 2HH TRP 4 -4.490 5.462 -1.652 27 H HIS 5 HN HIS 5 -12.480 4.802 -1.212 28 HA HIS 5 HA HIS 5 -15.007 3.774 -0.164 29 HB2 HIS 5 HB2 HIS 5 -14.547 6.281 -1.808 30 HB3 HIS 5 HB1 HIS 5 -16.141 5.616 -1.476 31 HD1 HIS 5 HD1 HIS 5 -17.116 6.064 0.869 32 HD2 HIS 5 HD2 HIS 5 -13.241 7.462 0.360 33 HE1 HIS 5 HE1 HIS 5 -16.633 7.530 2.872 34 H HIS 6 HN HIS 6 -14.251 5.059 -3.379 35 HA HIS 6 HA HIS 6 -15.209 2.532 -4.442 36 HB2 HIS 6 HB2 HIS 6 -14.686 5.178 -5.809 37 HB3 HIS 6 HB1 HIS 6 -15.104 3.710 -6.684 38 HD1 HIS 6 HD1 HIS 6 -16.649 6.603 -5.127 39 HD2 HIS 6 HD2 HIS 6 -17.690 2.638 -5.803 40 HE1 HIS 6 HE1 HIS 6 -19.146 6.492 -4.909 41 H SER 7 HN SER 7 -12.296 4.359 -4.133 42 HA SER 7 HA SER 7 -10.818 2.706 -5.920 43 HB2 SER 7 HB2 SER 7 -9.876 4.538 -3.713 44 HB3 SER 7 HB1 SER 7 -8.862 3.876 -4.990 45 HG SER 7 HG SER 7 -9.500 5.983 -5.453 46 H CYS 8 HN CYS 8 -10.238 0.699 -5.450 47 HA CYS 8 HA CYS 8 -9.562 -0.016 -2.726 48 HB2 CYS 8 HB2 CYS 8 -12.005 -0.559 -3.131 49 HB3 CYS 8 HB1 CYS 8 -11.472 -1.660 -4.396 50 H VAL 9 HN VAL 9 -7.596 -0.787 -2.888 51 HA VAL 9 HA VAL 9 -6.717 -1.909 -5.427 52 HB VAL 9 HB VAL 9 -5.088 -0.965 -3.045 53 HG11 VAL 9 HG11 VAL 9 -4.265 -1.495 -5.890 54 HG12 VAL 9 HG12 VAL 9 -3.875 -2.496 -4.489 55 HG13 VAL 9 3HG1 VAL 9 -3.239 -0.854 -4.609 56 HG21 VAL 9 HG21 VAL 9 -6.364 0.883 -3.929 57 HG22 VAL 9 HG22 VAL 9 -5.809 0.515 -5.560 58 HG23 VAL 9 HG23 VAL 9 -4.659 1.072 -4.341 59 HA PRO 10 HA PRO 10 -6.836 -5.976 -3.560 60 HB2 PRO 10 HB2 PRO 10 -5.048 -7.204 -5.186 61 HB3 PRO 10 HB1 PRO 10 -6.734 -6.889 -5.653 62 HG2 PRO 10 HG2 PRO 10 -4.244 -5.356 -6.313 63 HG3 PRO 10 HG1 PRO 10 -5.603 -5.776 -7.371 64 HD2 PRO 10 HD2 PRO 10 -5.362 -3.333 -6.320 65 HD3 PRO 10 HD1 PRO 10 -6.954 -4.097 -6.502 66 H SER 11 HN SER 11 -5.610 -7.398 -2.347 67 HA SER 11 HA SER 11 -3.358 -6.441 -0.970 68 HB2 SER 11 HB2 SER 11 -4.440 -9.258 -1.197 69 HB3 SER 11 HB1 SER 11 -3.355 -8.663 0.062 70 HG SER 11 HG SER 11 -6.045 -8.459 -0.116 71 H GLY 12 HN GLY 12 -1.200 -6.914 -1.208 72 HA2 GLY 12 HA2 GLY 12 0.554 -8.338 -2.140 73 HA3 GLY 12 HA1 GLY 12 -0.454 -8.512 -3.574 74 H THR 13 HN THR 13 -1.132 -5.594 -3.160 75 HA THR 13 HA THR 13 0.669 -4.477 -5.000 76 HB THR 13 HB THR 13 -1.219 -3.100 -3.076 77 HG1 THR 13 HG1 THR 13 -2.628 -4.189 -4.268 78 HG21 THR 13 HG21 THR 13 -1.239 -1.287 -4.733 79 HG22 THR 13 HG22 THR 13 -0.086 -2.173 -5.734 80 HG23 THR 13 HG23 THR 13 0.400 -1.566 -4.149 81 H CYS 14 HN CYS 14 2.506 -3.249 -4.687 82 HA CYS 14 HA CYS 14 3.197 -2.702 -1.926 83 HB2 CYS 14 HB2 CYS 14 4.543 -4.573 -2.794 84 HB3 CYS 14 HB1 CYS 14 5.098 -3.552 -4.116 85 H ALA 15 HN ALA 15 4.450 -0.843 -1.574 86 HA ALA 15 HA ALA 15 4.551 1.085 -3.749 87 HB1 ALA 15 HB1 ALA 15 3.760 2.793 -2.162 88 HB2 ALA 15 HB2 ALA 15 3.501 1.542 -0.962 89 HB3 ALA 15 HB3 ALA 15 2.535 1.554 -2.448 90 H ASP 16 HN ASP 16 6.365 2.353 -3.608 91 HA ASP 16 HA ASP 16 8.229 1.611 -1.519 92 HB2 ASP 16 HB2 ASP 16 9.978 2.615 -2.829 93 HB3 ASP 16 HB1 ASP 16 8.987 1.694 -3.933 94 H PHE 17 HN PHE 17 8.706 2.838 0.086 95 HA PHE 17 HA PHE 17 7.468 5.484 0.281 96 HB2 PHE 17 HB2 PHE 17 8.075 3.416 2.411 97 HB3 PHE 17 HB1 PHE 17 7.426 5.013 2.736 98 HD1 PHE 17 HD1 PHE 17 5.170 5.588 1.650 99 HD2 PHE 17 HD2 PHE 17 6.664 1.621 2.013 100 HE1 PHE 17 HE1 PHE 17 2.901 4.718 1.424 101 HE2 PHE 17 HE2 PHE 17 4.402 0.740 1.792 102 HZ PHE 17 HZ PHE 17 2.503 2.279 1.493 103 HA PRO 18 HA PRO 18 11.539 7.324 1.197 104 HB2 PRO 18 HB2 PRO 18 10.497 8.087 3.859 105 HB3 PRO 18 HB1 PRO 18 11.210 9.100 2.602 106 HG2 PRO 18 HG2 PRO 18 8.595 9.171 3.109 107 HG3 PRO 18 HG1 PRO 18 9.210 9.313 1.456 108 HD2 PRO 18 HD2 PRO 18 7.925 7.003 2.817 109 HD3 PRO 18 HD1 PRO 18 7.807 7.510 1.122 110 H TRP 19 HN TRP 19 13.338 6.726 2.103 111 HA TRP 19 HA TRP 19 13.512 4.368 3.603 112 HB2 TRP 19 HB2 TRP 19 15.517 4.620 2.572 113 HB3 TRP 19 HB1 TRP 19 15.272 6.339 2.362 114 HD1 TRP 19 HD1 TRP 19 16.211 7.903 4.214 115 HE1 TRP 19 HE1 TRP 19 18.187 7.627 5.894 116 HE3 TRP 19 3HE TRP 19 16.706 2.849 4.009 117 HZ2 TRP 19 HZ2 TRP 19 19.717 5.505 6.952 118 HZ3 TRP 19 HZ3 TRP 19 18.441 1.761 5.364 119 HH2 TRP 19 2HH TRP 19 19.914 3.063 6.808 120 HA PRO 20 HA PRO 20 14.887 3.516 5.151 121 HB2 PRO 20 HB2 PRO 20 14.861 2.307 7.481 122 HB3 PRO 20 HB1 PRO 20 15.903 3.717 7.226 123 HG2 PRO 20 HG2 PRO 20 13.268 3.538 8.624 124 HG3 PRO 20 HG1 PRO 20 14.714 4.454 9.084 125 HD2 PRO 20 HD2 PRO 20 12.493 5.486 7.726 126 HD3 PRO 20 HD1 PRO 20 14.092 6.247 7.815 127 H LEU 21 HN LEU 21 11.808 4.099 5.217 128 HA LEU 21 HA LEU 21 10.684 1.558 5.866 129 HB2 LEU 21 HB2 LEU 21 9.857 3.890 4.283 130 HB3 LEU 21 HB1 LEU 21 8.748 2.522 4.478 131 HG LEU 21 HG LEU 21 9.799 4.371 6.654 132 HD11 LEU 21 HD11 LEU 21 7.045 4.084 5.458 133 HD12 LEU 21 HD12 LEU 21 8.150 5.434 5.203 134 HD13 LEU 21 HD13 LEU 21 7.480 5.134 6.807 135 HD21 LEU 21 HD21 LEU 21 8.219 3.205 8.128 136 HD22 LEU 21 HD22 LEU 21 9.447 2.102 7.505 137 HD23 LEU 21 HD23 LEU 21 7.821 2.099 6.814 138 H GLY 22 HN GLY 22 11.031 3.242 2.745 139 HA2 GLY 22 HA2 GLY 22 11.545 2.454 0.671 140 HA3 GLY 22 HA1 GLY 22 12.226 1.023 1.440 141 H HIS 23 HN HIS 23 11.322 -0.652 0.404 142 HA HIS 23 HA HIS 23 8.530 -0.550 -0.321 143 HB2 HIS 23 HB2 HIS 23 10.642 -2.637 -0.809 144 HB3 HIS 23 HB1 HIS 23 8.943 -2.959 -1.107 145 HD1 HIS 23 HD1 HIS 23 8.082 -2.308 -3.365 146 HD2 HIS 23 HD2 HIS 23 11.675 -0.454 -2.425 147 HE1 HIS 23 HE1 HIS 23 8.786 -1.065 -5.436 148 H GLN 24 HN GLN 24 7.629 -0.377 1.652 149 HA GLN 24 HA GLN 24 7.831 -2.497 3.586 150 HB2 GLN 24 HB2 GLN 24 5.844 -0.240 3.304 151 HB3 GLN 24 HB1 GLN 24 5.866 -1.371 4.649 152 HG2 GLN 24 HG2 GLN 24 8.119 0.468 3.898 153 HG3 GLN 24 HG1 GLN 24 6.946 0.765 5.183 154 HE21 GLN 24 1HE2 GLN 24 7.006 -0.524 7.005 155 HE22 GLN 24 2HE2 GLN 24 8.395 -1.447 7.444 156 H CYS 25 HN CYS 25 5.731 -1.597 0.998 157 HA CYS 25 HA CYS 25 4.220 -2.659 -0.234 158 HB2 CYS 25 HB2 CYS 25 5.200 -5.165 1.142 159 HB3 CYS 25 HB1 CYS 25 4.218 -5.118 -0.326 160 H PHE 26 HN PHE 26 2.110 -4.034 -0.133 161 HA PHE 26 HA PHE 26 0.904 -3.518 2.465 162 HB2 PHE 26 HB2 PHE 26 -0.308 -3.360 -0.288 163 HB3 PHE 26 HB1 PHE 26 -1.245 -3.298 1.200 164 HD1 PHE 26 HD1 PHE 26 0.714 -1.444 -1.148 165 HD2 PHE 26 HD2 PHE 26 -0.773 -1.483 2.819 166 HE1 PHE 26 HE1 PHE 26 1.081 0.987 -1.000 167 HE2 PHE 26 HE2 PHE 26 -0.413 0.952 2.987 168 HZ PHE 26 HZ PHE 26 0.508 2.188 1.069 169 HA PRO 27 HA PRO 27 0.624 -8.066 2.697 170 HB2 PRO 27 HB2 PRO 27 -0.939 -6.800 4.926 171 HB3 PRO 27 HB1 PRO 27 0.052 -8.272 4.999 172 HG2 PRO 27 HG2 PRO 27 1.043 -6.062 5.945 173 HG3 PRO 27 HG1 PRO 27 2.051 -7.011 4.832 174 HD2 PRO 27 HD2 PRO 27 0.529 -4.498 4.338 175 HD3 PRO 27 HD1 PRO 27 2.116 -4.997 3.716 176 H ASP 28 HN ASP 28 -1.966 -5.841 3.562 177 HA ASP 28 HA ASP 28 -3.841 -7.358 1.903 178 HB2 ASP 28 HB2 ASP 28 -5.631 -6.628 3.362 179 HB3 ASP 28 HB1 ASP 28 -4.389 -7.367 4.364 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -4.636 -5.304 1.016 2 HA2 GLY 1 HA2 GLY 1 -3.126 -3.131 -0.025 3 HA3 GLY 1 HA1 GLY 1 -4.582 -3.811 -0.771 4 H PHE 2 HN PHE 2 -3.848 -1.071 -0.514 5 HA PHE 2 HA PHE 2 -5.363 0.061 1.610 6 HB2 PHE 2 HB2 PHE 2 -4.782 2.255 0.543 7 HB3 PHE 2 HB1 PHE 2 -3.392 1.264 0.951 8 HD1 PHE 2 HD1 PHE 2 -5.184 2.958 -1.667 9 HD2 PHE 2 HD2 PHE 2 -2.189 0.055 -0.884 10 HE1 PHE 2 HE1 PHE 2 -4.349 3.197 -3.972 11 HE2 PHE 2 HE2 PHE 2 -1.355 0.279 -3.175 12 HZ PHE 2 HZ PHE 2 -2.427 1.845 -4.726 13 H CYS 3 HN CYS 3 -7.370 0.673 1.617 14 HA CYS 3 HA CYS 3 -8.815 0.833 -0.903 15 HB2 CYS 3 HB2 CYS 3 -9.702 -0.693 1.553 16 HB3 CYS 3 HB1 CYS 3 -10.723 -0.348 0.165 17 H TRP 4 HN TRP 4 -10.253 2.381 -0.994 18 HA TRP 4 HA TRP 4 -11.022 3.785 1.476 19 HB2 TRP 4 HB2 TRP 4 -11.026 5.057 -1.268 20 HB3 TRP 4 HB1 TRP 4 -11.059 5.847 0.297 21 HD1 TRP 4 HD1 TRP 4 -8.586 5.722 1.674 22 HE1 TRP 4 HE1 TRP 4 -6.214 5.923 0.644 23 HE3 TRP 4 3HE TRP 4 -9.767 4.659 -3.099 24 HZ2 TRP 4 HZ2 TRP 4 -5.033 5.658 -1.911 25 HZ3 TRP 4 HZ3 TRP 4 -7.965 4.644 -4.834 26 HH2 TRP 4 2HH TRP 4 -5.659 5.135 -4.229 27 H HIS 5 HN HIS 5 -13.026 5.219 0.073 28 HA HIS 5 HA HIS 5 -14.640 3.025 -0.966 29 HB2 HIS 5 HB2 HIS 5 -15.603 5.506 0.496 30 HB3 HIS 5 HB1 HIS 5 -16.659 4.384 -0.338 31 HD1 HIS 5 HD1 HIS 5 -17.921 3.375 1.572 32 HD2 HIS 5 HD2 HIS 5 -13.831 3.371 2.225 33 HE1 HIS 5 HE1 HIS 5 -17.551 2.076 3.706 34 H HIS 6 HN HIS 6 -13.651 3.330 -2.832 35 HA HIS 6 HA HIS 6 -14.764 5.001 -4.768 36 HB2 HIS 6 HB2 HIS 6 -13.366 6.750 -3.558 37 HB3 HIS 6 HB1 HIS 6 -11.945 5.781 -3.909 38 HD1 HIS 6 HD1 HIS 6 -14.458 8.029 -5.559 39 HD2 HIS 6 HD2 HIS 6 -10.955 6.013 -6.484 40 HE1 HIS 6 HE1 HIS 6 -13.709 8.921 -7.801 41 H SER 7 HN SER 7 -11.756 3.570 -3.642 42 HA SER 7 HA SER 7 -11.889 1.515 -5.662 43 HB2 SER 7 HB2 SER 7 -9.432 3.236 -5.241 44 HB3 SER 7 HB1 SER 7 -9.573 1.872 -6.350 45 HG SER 7 HG SER 7 -11.546 3.437 -6.954 46 H CYS 8 HN CYS 8 -11.300 -0.385 -4.750 47 HA CYS 8 HA CYS 8 -9.780 -0.313 -2.260 48 HB2 CYS 8 HB2 CYS 8 -12.130 -1.131 -2.015 49 HB3 CYS 8 HB1 CYS 8 -11.796 -2.376 -3.207 50 H VAL 9 HN VAL 9 -7.737 -0.747 -2.808 51 HA VAL 9 HA VAL 9 -7.187 -2.354 -5.142 52 HB VAL 9 HB VAL 9 -5.279 -0.940 -3.238 53 HG11 VAL 9 HG11 VAL 9 -3.640 -1.107 -5.037 54 HG12 VAL 9 HG12 VAL 9 -4.806 -1.973 -6.032 55 HG13 VAL 9 3HG1 VAL 9 -4.197 -2.708 -4.548 56 HG21 VAL 9 HG21 VAL 9 -6.415 0.005 -5.870 57 HG22 VAL 9 HG22 VAL 9 -5.158 0.826 -4.942 58 HG23 VAL 9 HG23 VAL 9 -6.779 0.660 -4.272 59 HA PRO 10 HA PRO 10 -6.912 -6.037 -2.702 60 HB2 PRO 10 HB2 PRO 10 -5.369 -7.519 -4.373 61 HB3 PRO 10 HB1 PRO 10 -7.113 -7.291 -4.596 62 HG2 PRO 10 HG2 PRO 10 -4.819 -5.900 -5.925 63 HG3 PRO 10 HG1 PRO 10 -6.346 -6.456 -6.632 64 HD2 PRO 10 HD2 PRO 10 -5.913 -3.881 -6.021 65 HD3 PRO 10 HD1 PRO 10 -7.518 -4.620 -5.846 66 H SER 11 HN SER 11 -5.495 -7.226 -1.475 67 HA SER 11 HA SER 11 -3.113 -6.015 -0.652 68 HB2 SER 11 HB2 SER 11 -4.145 -8.819 -0.207 69 HB3 SER 11 HB1 SER 11 -2.933 -7.984 0.773 70 HG SER 11 HG SER 11 -5.501 -7.937 1.175 71 H GLY 12 HN GLY 12 -0.986 -6.565 -1.119 72 HA2 GLY 12 HA2 GLY 12 0.596 -8.073 -2.140 73 HA3 GLY 12 HA1 GLY 12 -0.633 -8.454 -3.344 74 H THR 13 HN THR 13 -1.196 -5.391 -3.014 75 HA THR 13 HA THR 13 0.269 -4.605 -5.283 76 HB THR 13 HB THR 13 -1.932 -3.645 -4.928 77 HG1 THR 13 HG1 THR 13 -1.076 -2.100 -5.988 78 HG21 THR 13 HG21 THR 13 -0.733 -2.377 -2.510 79 HG22 THR 13 HG22 THR 13 -1.894 -3.708 -2.524 80 HG23 THR 13 HG23 THR 13 -2.386 -2.094 -3.096 81 H CYS 14 HN CYS 14 2.196 -3.614 -5.420 82 HA CYS 14 HA CYS 14 3.492 -3.129 -2.875 83 HB2 CYS 14 HB2 CYS 14 4.649 -3.814 -5.561 84 HB3 CYS 14 HB1 CYS 14 5.638 -3.295 -4.196 85 H ALA 15 HN ALA 15 4.982 -1.386 -2.611 86 HA ALA 15 HA ALA 15 4.740 0.875 -4.336 87 HB1 ALA 15 HB1 ALA 15 3.807 2.332 -2.605 88 HB2 ALA 15 HB2 ALA 15 3.629 0.954 -1.531 89 HB3 ALA 15 HB3 ALA 15 2.665 1.045 -3.010 90 H ASP 16 HN ASP 16 6.463 2.140 -4.055 91 HA ASP 16 HA ASP 16 8.487 1.390 -2.124 92 HB2 ASP 16 HB2 ASP 16 9.182 1.841 -4.421 93 HB3 ASP 16 HB1 ASP 16 8.429 3.429 -4.361 94 H PHE 17 HN PHE 17 8.557 2.354 -0.191 95 HA PHE 17 HA PHE 17 7.130 4.874 0.140 96 HB2 PHE 17 HB2 PHE 17 7.916 2.767 2.156 97 HB3 PHE 17 HB1 PHE 17 7.086 4.265 2.542 98 HD1 PHE 17 HD1 PHE 17 6.747 0.864 1.503 99 HD2 PHE 17 HD2 PHE 17 4.803 4.642 1.555 100 HE1 PHE 17 HE1 PHE 17 4.594 -0.248 1.152 101 HE2 PHE 17 HE2 PHE 17 2.653 3.550 1.204 102 HZ PHE 17 HZ PHE 17 2.538 1.090 1.003 103 HA PRO 18 HA PRO 18 10.989 6.895 1.233 104 HB2 PRO 18 HB2 PRO 18 9.629 8.065 3.586 105 HB3 PRO 18 HB1 PRO 18 10.381 8.878 2.218 106 HG2 PRO 18 HG2 PRO 18 7.724 8.807 2.498 107 HG3 PRO 18 HG1 PRO 18 8.490 8.715 0.903 108 HD2 PRO 18 HD2 PRO 18 7.298 6.530 2.562 109 HD3 PRO 18 HD1 PRO 18 7.231 6.801 0.808 110 H TRP 19 HN TRP 19 12.500 7.118 3.081 111 HA TRP 19 HA TRP 19 12.712 4.686 4.491 112 HB2 TRP 19 HB2 TRP 19 14.362 7.118 4.251 113 HB3 TRP 19 HB1 TRP 19 14.590 6.161 5.715 114 HD1 TRP 19 HD1 TRP 19 14.622 5.637 1.877 115 HE1 TRP 19 HE1 TRP 19 16.260 3.706 1.394 116 HE3 TRP 19 3HE TRP 19 15.868 4.384 6.660 117 HZ2 TRP 19 HZ2 TRP 19 17.837 1.922 2.830 118 HZ3 TRP 19 HZ3 TRP 19 17.467 2.547 7.022 119 HH2 TRP 19 2HH TRP 19 18.434 1.342 5.144 120 HA PRO 20 HA PRO 20 13.762 3.871 6.139 121 HB2 PRO 20 HB2 PRO 20 13.565 2.522 8.392 122 HB3 PRO 20 HB1 PRO 20 14.324 4.121 8.392 123 HG2 PRO 20 HG2 PRO 20 11.622 3.309 9.346 124 HG3 PRO 20 HG1 PRO 20 12.728 4.526 10.003 125 HD2 PRO 20 HD2 PRO 20 10.527 4.981 8.274 126 HD3 PRO 20 HD1 PRO 20 11.776 6.156 8.735 127 H LEU 21 HN LEU 21 10.691 3.919 5.709 128 HA LEU 21 HA LEU 21 9.838 1.231 6.024 129 HB2 LEU 21 HB2 LEU 21 9.015 3.512 4.340 130 HB3 LEU 21 HB1 LEU 21 8.127 1.986 4.274 131 HG LEU 21 HG LEU 21 8.405 3.796 6.700 132 HD11 LEU 21 HD11 LEU 21 7.028 4.800 4.949 133 HD12 LEU 21 HD12 LEU 21 6.030 4.284 6.309 134 HD13 LEU 21 HD13 LEU 21 6.080 3.319 4.835 135 HD21 LEU 21 HD21 LEU 21 6.696 2.359 7.685 136 HD22 LEU 21 HD22 LEU 21 8.131 1.420 7.272 137 HD23 LEU 21 HD23 LEU 21 6.702 1.347 6.244 138 H GLY 22 HN GLY 22 10.653 3.104 3.114 139 HA2 GLY 22 HA2 GLY 22 11.718 2.466 1.173 140 HA3 GLY 22 HA1 GLY 22 12.275 1.024 2.022 141 H HIS 23 HN HIS 23 11.790 -0.406 0.365 142 HA HIS 23 HA HIS 23 9.079 -0.429 -0.591 143 HB2 HIS 23 HB2 HIS 23 10.914 -1.013 -2.163 144 HB3 HIS 23 HB1 HIS 23 11.275 -2.435 -1.187 145 HD1 HIS 23 HD1 HIS 23 10.117 -4.550 -1.981 146 HD2 HIS 23 HD2 HIS 23 8.125 -1.089 -3.143 147 HE1 HIS 23 HE1 HIS 23 8.159 -5.296 -3.371 148 H GLN 24 HN GLN 24 7.926 -0.774 1.167 149 HA GLN 24 HA GLN 24 8.222 -3.271 2.634 150 HB2 GLN 24 HB2 GLN 24 6.385 -0.915 3.009 151 HB3 GLN 24 HB1 GLN 24 6.261 -2.397 3.941 152 HG2 GLN 24 HG2 GLN 24 8.679 -0.617 3.846 153 HG3 GLN 24 HG1 GLN 24 7.467 -0.631 5.129 154 HE21 GLN 24 1HE2 GLN 24 10.154 -2.299 3.716 155 HE22 GLN 24 2HE2 GLN 24 10.336 -3.474 4.960 156 H CYS 25 HN CYS 25 6.235 -1.805 0.210 157 HA CYS 25 HA CYS 25 4.518 -2.499 -1.055 158 HB2 CYS 25 HB2 CYS 25 6.019 -4.456 -1.512 159 HB3 CYS 25 HB1 CYS 25 5.348 -5.291 -0.123 160 H PHE 26 HN PHE 26 2.337 -4.103 -0.781 161 HA PHE 26 HA PHE 26 1.400 -3.433 1.896 162 HB2 PHE 26 HB2 PHE 26 -0.021 -3.369 -0.727 163 HB3 PHE 26 HB1 PHE 26 -0.903 -3.497 0.787 164 HD1 PHE 26 HD1 PHE 26 0.907 -1.318 -1.443 165 HD2 PHE 26 HD2 PHE 26 -0.733 -1.728 2.448 166 HE1 PHE 26 HE1 PHE 26 0.981 1.120 -1.168 167 HE2 PHE 26 HE2 PHE 26 -0.671 0.718 2.743 168 HZ PHE 26 HZ PHE 26 0.190 2.142 0.928 169 HA PRO 27 HA PRO 27 0.848 -7.911 2.365 170 HB2 PRO 27 HB2 PRO 27 0.053 -6.808 5.003 171 HB3 PRO 27 HB1 PRO 27 1.186 -8.134 4.665 172 HG2 PRO 27 HG2 PRO 27 2.080 -5.790 5.483 173 HG3 PRO 27 HG1 PRO 27 2.926 -6.634 4.172 174 HD2 PRO 27 HD2 PRO 27 1.007 -4.343 4.028 175 HD3 PRO 27 HD1 PRO 27 2.540 -4.600 3.160 176 H ASP 28 HN ASP 28 -1.045 -5.164 3.161 177 HA ASP 28 HA ASP 28 -3.566 -6.509 2.495 178 HB2 ASP 28 HB2 ASP 28 -3.401 -6.095 4.990 179 HB3 ASP 28 HB1 ASP 28 -3.136 -4.395 4.561 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -4.699 -5.126 1.633 2 HA2 GLY 1 HA2 GLY 1 -3.793 -3.413 -0.511 3 HA3 GLY 1 HA1 GLY 1 -5.315 -4.278 -0.748 4 H PHE 2 HN PHE 2 -6.432 -2.257 -0.748 5 HA PHE 2 HA PHE 2 -7.561 -1.595 1.706 6 HB2 PHE 2 HB2 PHE 2 -6.783 0.771 1.949 7 HB3 PHE 2 HB1 PHE 2 -5.497 -0.388 2.225 8 HD1 PHE 2 HD1 PHE 2 -3.825 -0.786 0.325 9 HD2 PHE 2 HD2 PHE 2 -6.546 2.492 0.386 10 HE1 PHE 2 HE1 PHE 2 -2.423 0.398 -1.274 11 HE2 PHE 2 HE2 PHE 2 -5.129 3.679 -1.234 12 HZ PHE 2 HZ PHE 2 -3.056 2.608 -2.064 13 H CYS 3 HN CYS 3 -9.364 -0.204 1.402 14 HA CYS 3 HA CYS 3 -9.821 0.456 -1.414 15 HB2 CYS 3 HB2 CYS 3 -11.050 -1.592 -0.839 16 HB3 CYS 3 HB1 CYS 3 -11.829 -0.757 0.502 17 H TRP 4 HN TRP 4 -10.965 2.342 -1.814 18 HA TRP 4 HA TRP 4 -11.087 4.075 0.491 19 HB2 TRP 4 HB2 TRP 4 -11.401 4.684 -2.457 20 HB3 TRP 4 HB1 TRP 4 -11.588 5.886 -1.186 21 HD1 TRP 4 HD1 TRP 4 -9.277 6.191 0.400 22 HE1 TRP 4 HE1 TRP 4 -6.840 6.295 -0.383 23 HE3 TRP 4 3HE TRP 4 -9.797 3.944 -4.143 24 HZ2 TRP 4 HZ2 TRP 4 -5.323 5.541 -2.644 25 HZ3 TRP 4 HZ3 TRP 4 -7.805 3.677 -5.569 26 HH2 TRP 4 2HH TRP 4 -5.615 4.459 -4.830 27 H HIS 5 HN HIS 5 -13.327 4.311 -2.201 28 HA HIS 5 HA HIS 5 -15.473 3.713 -0.278 29 HB2 HIS 5 HB2 HIS 5 -15.532 5.632 -2.621 30 HB3 HIS 5 HB1 HIS 5 -16.957 5.142 -1.730 31 HD1 HIS 5 HD1 HIS 5 -17.617 6.760 0.056 32 HD2 HIS 5 HD2 HIS 5 -13.558 6.932 -0.783 33 HE1 HIS 5 HE1 HIS 5 -16.706 8.695 1.392 34 H HIS 6 HN HIS 6 -15.032 3.915 -3.786 35 HA HIS 6 HA HIS 6 -16.360 1.297 -3.959 36 HB2 HIS 6 HB2 HIS 6 -16.447 3.561 -5.964 37 HB3 HIS 6 HB1 HIS 6 -17.187 1.976 -6.183 38 HD1 HIS 6 HD1 HIS 6 -17.871 5.298 -4.843 39 HD2 HIS 6 HD2 HIS 6 -19.268 1.436 -4.232 40 HE1 HIS 6 HE1 HIS 6 -20.050 5.528 -3.591 41 H SER 7 HN SER 7 -13.575 3.068 -4.560 42 HA SER 7 HA SER 7 -12.571 1.218 -6.567 43 HB2 SER 7 HB2 SER 7 -11.253 3.624 -5.324 44 HB3 SER 7 HB1 SER 7 -10.826 2.838 -6.851 45 HG SER 7 HG SER 7 -13.203 3.430 -7.302 46 H CYS 8 HN CYS 8 -11.593 -0.561 -5.742 47 HA CYS 8 HA CYS 8 -10.390 -0.342 -3.089 48 HB2 CYS 8 HB2 CYS 8 -11.586 -2.788 -4.392 49 HB3 CYS 8 HB1 CYS 8 -10.870 -2.726 -2.790 50 H VAL 9 HN VAL 9 -8.268 -0.618 -3.001 51 HA VAL 9 HA VAL 9 -6.815 -1.427 -5.338 52 HB VAL 9 HB VAL 9 -5.835 -0.739 -2.546 53 HG11 VAL 9 HG11 VAL 9 -4.396 -0.791 -5.179 54 HG12 VAL 9 HG12 VAL 9 -4.179 -1.921 -3.841 55 HG13 VAL 9 3HG1 VAL 9 -3.719 -0.226 -3.655 56 HG21 VAL 9 HG21 VAL 9 -7.102 1.126 -3.447 57 HG22 VAL 9 HG22 VAL 9 -6.151 1.082 -4.930 58 HG23 VAL 9 HG23 VAL 9 -5.383 1.512 -3.403 59 HA PRO 10 HA PRO 10 -7.162 -5.639 -3.984 60 HB2 PRO 10 HB2 PRO 10 -5.514 -6.783 -5.794 61 HB3 PRO 10 HB1 PRO 10 -7.122 -6.183 -6.213 62 HG2 PRO 10 HG2 PRO 10 -4.459 -4.881 -6.602 63 HG3 PRO 10 HG1 PRO 10 -5.828 -4.980 -7.724 64 HD2 PRO 10 HD2 PRO 10 -5.314 -2.773 -6.243 65 HD3 PRO 10 HD1 PRO 10 -6.961 -3.261 -6.692 66 H SER 11 HN SER 11 -5.860 -7.436 -3.259 67 HA SER 11 HA SER 11 -3.806 -6.699 -1.508 68 HB2 SER 11 HB2 SER 11 -4.553 -9.463 -2.482 69 HB3 SER 11 HB1 SER 11 -3.783 -9.023 -0.955 70 HG SER 11 HG SER 11 -6.194 -9.421 -1.084 71 H GLY 12 HN GLY 12 -1.696 -6.607 -1.877 72 HA2 GLY 12 HA2 GLY 12 0.311 -7.530 -2.903 73 HA3 GLY 12 HA1 GLY 12 -0.650 -7.811 -4.355 74 H THR 13 HN THR 13 -0.200 -5.078 -2.182 75 HA THR 13 HA THR 13 0.525 -3.429 -4.485 76 HB THR 13 HB THR 13 -1.296 -2.623 -2.179 77 HG1 THR 13 HG1 THR 13 -2.676 -3.707 -3.462 78 HG21 THR 13 HG21 THR 13 0.074 -0.766 -3.119 79 HG22 THR 13 HG22 THR 13 -1.645 -0.568 -3.428 80 HG23 THR 13 HG23 THR 13 -0.579 -1.128 -4.720 81 H CYS 14 HN CYS 14 2.237 -2.032 -4.071 82 HA CYS 14 HA CYS 14 3.280 -2.244 -1.392 83 HB2 CYS 14 HB2 CYS 14 4.645 -3.354 -3.164 84 HB3 CYS 14 HB1 CYS 14 4.925 -1.775 -3.889 85 H ALA 15 HN ALA 15 4.713 -0.299 -0.794 86 HA ALA 15 HA ALA 15 3.676 2.176 -1.877 87 HB1 ALA 15 HB1 ALA 15 3.464 3.032 0.435 88 HB2 ALA 15 HB2 ALA 15 3.811 1.409 1.042 89 HB3 ALA 15 HB3 ALA 15 2.344 1.707 0.114 90 H ASP 16 HN ASP 16 5.232 3.659 -1.984 91 HA ASP 16 HA ASP 16 7.933 2.741 -1.490 92 HB2 ASP 16 HB2 ASP 16 7.421 3.696 -3.671 93 HB3 ASP 16 HB1 ASP 16 6.912 5.200 -2.910 94 H PHE 17 HN PHE 17 8.735 3.085 0.419 95 HA PHE 17 HA PHE 17 8.274 5.661 1.722 96 HB2 PHE 17 HB2 PHE 17 8.807 2.905 2.825 97 HB3 PHE 17 HB1 PHE 17 9.116 4.341 3.789 98 HD1 PHE 17 HD1 PHE 17 6.541 2.236 2.264 99 HD2 PHE 17 HD2 PHE 17 7.324 5.673 4.629 100 HE1 PHE 17 HE1 PHE 17 4.182 2.286 2.969 101 HE2 PHE 17 HE2 PHE 17 4.983 5.745 5.331 102 HZ PHE 17 HZ PHE 17 3.395 4.042 4.505 103 HA PRO 18 HA PRO 18 12.575 6.573 1.201 104 HB2 PRO 18 HB2 PRO 18 13.202 7.710 3.603 105 HB3 PRO 18 HB1 PRO 18 12.284 8.557 2.350 106 HG2 PRO 18 HG2 PRO 18 11.296 7.123 4.787 107 HG3 PRO 18 HG1 PRO 18 10.791 8.692 4.134 108 HD2 PRO 18 HD2 PRO 18 9.350 6.474 3.739 109 HD3 PRO 18 HD1 PRO 18 9.475 7.712 2.480 110 H TRP 19 HN TRP 19 14.741 6.018 2.082 111 HA TRP 19 HA TRP 19 14.605 3.418 3.198 112 HB2 TRP 19 HB2 TRP 19 16.792 5.010 1.956 113 HB3 TRP 19 HB1 TRP 19 17.233 3.644 2.992 114 HD1 TRP 19 HD1 TRP 19 15.187 4.398 -0.191 115 HE1 TRP 19 HE1 TRP 19 14.881 2.189 -1.472 116 HE3 TRP 19 3HE TRP 19 17.417 1.168 3.118 117 HZ2 TRP 19 HZ2 TRP 19 15.473 -0.494 -1.113 118 HZ3 TRP 19 HZ3 TRP 19 17.487 -1.202 2.551 119 HH2 TRP 19 2HH TRP 19 16.547 -2.026 0.471 120 HA PRO 20 HA PRO 20 15.971 1.986 3.966 121 HB2 PRO 20 HB2 PRO 20 16.561 0.426 5.984 122 HB3 PRO 20 HB1 PRO 20 17.717 1.688 5.532 123 HG2 PRO 20 HG2 PRO 20 15.802 1.614 7.827 124 HG3 PRO 20 HG1 PRO 20 17.444 2.280 7.764 125 HD2 PRO 20 HD2 PRO 20 15.005 3.707 7.474 126 HD3 PRO 20 HD1 PRO 20 16.638 4.330 7.168 127 H LEU 21 HN LEU 21 13.362 3.103 5.093 128 HA LEU 21 HA LEU 21 11.900 0.754 5.806 129 HB2 LEU 21 HB2 LEU 21 11.129 3.354 4.568 130 HB3 LEU 21 HB1 LEU 21 9.932 2.172 5.094 131 HG LEU 21 HG LEU 21 11.874 3.667 6.873 132 HD11 LEU 21 HD11 LEU 21 10.159 5.115 5.952 133 HD12 LEU 21 HD12 LEU 21 9.874 4.821 7.670 134 HD13 LEU 21 HD13 LEU 21 8.907 3.978 6.457 135 HD21 LEU 21 HD21 LEU 21 9.599 1.810 7.538 136 HD22 LEU 21 HD22 LEU 21 10.535 2.744 8.703 137 HD23 LEU 21 HD23 LEU 21 11.316 1.465 7.768 138 H GLY 22 HN GLY 22 12.277 2.705 2.901 139 HA2 GLY 22 HA2 GLY 22 12.322 2.228 0.689 140 HA3 GLY 22 HA1 GLY 22 12.846 0.619 1.147 141 H HIS 23 HN HIS 23 11.613 -0.930 0.536 142 HA HIS 23 HA HIS 23 8.927 -0.316 -0.394 143 HB2 HIS 23 HB2 HIS 23 10.596 -2.826 -0.752 144 HB3 HIS 23 HB1 HIS 23 8.989 -2.589 -1.423 145 HD1 HIS 23 HD1 HIS 23 9.226 -2.173 -3.902 146 HD2 HIS 23 HD2 HIS 23 12.279 -0.399 -1.703 147 HE1 HIS 23 HE1 HIS 23 10.687 -0.940 -5.562 148 H GLN 24 HN GLN 24 8.217 -0.020 1.745 149 HA GLN 24 HA GLN 24 8.127 -2.153 3.653 150 HB2 GLN 24 HB2 GLN 24 6.448 0.341 3.381 151 HB3 GLN 24 HB1 GLN 24 6.265 -0.803 4.699 152 HG2 GLN 24 HG2 GLN 24 8.819 0.635 4.065 153 HG3 GLN 24 HG1 GLN 24 7.629 1.200 5.240 154 HE21 GLN 24 1HE2 GLN 24 7.354 0.044 7.142 155 HE22 GLN 24 2HE2 GLN 24 8.534 -1.069 7.720 156 H CYS 25 HN CYS 25 5.996 -0.935 1.221 157 HA CYS 25 HA CYS 25 4.252 -1.736 0.109 158 HB2 CYS 25 HB2 CYS 25 5.106 -4.424 1.184 159 HB3 CYS 25 HB1 CYS 25 3.996 -4.171 -0.163 160 H PHE 26 HN PHE 26 2.075 -3.014 0.374 161 HA PHE 26 HA PHE 26 1.132 -2.329 3.031 162 HB2 PHE 26 HB2 PHE 26 -0.337 -2.920 0.450 163 HB3 PHE 26 HB1 PHE 26 -1.140 -2.649 1.991 164 HD1 PHE 26 HD1 PHE 26 0.325 -1.132 -0.897 165 HD2 PHE 26 HD2 PHE 26 -0.827 -0.454 3.127 166 HE1 PHE 26 HE1 PHE 26 0.345 1.291 -1.312 167 HE2 PHE 26 HE2 PHE 26 -0.814 1.979 2.732 168 HZ PHE 26 HZ PHE 26 -0.229 2.852 0.509 169 HA PRO 27 HA PRO 27 0.913 -6.562 4.350 170 HB2 PRO 27 HB2 PRO 27 -1.845 -5.765 5.199 171 HB3 PRO 27 HB1 PRO 27 -0.607 -6.635 6.126 172 HG2 PRO 27 HG2 PRO 27 -1.026 -4.084 6.619 173 HG3 PRO 27 HG1 PRO 27 0.637 -4.685 6.498 174 HD2 PRO 27 HD2 PRO 27 -0.959 -3.120 4.517 175 HD3 PRO 27 HD1 PRO 27 0.762 -2.995 4.943 176 H ASP 28 HN ASP 28 -1.983 -5.191 2.891 177 HA ASP 28 HA ASP 28 -2.044 -7.366 1.028 178 HB2 ASP 28 HB2 ASP 28 -4.529 -7.765 1.358 179 HB3 ASP 28 HB1 ASP 28 -3.500 -8.354 2.651 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -5.279 -4.539 1.611 2 HA2 GLY 1 HA2 GLY 1 -4.531 -3.383 -0.837 3 HA3 GLY 1 HA1 GLY 1 -5.665 -4.701 -1.130 4 H PHE 2 HN PHE 2 -5.197 -1.645 0.496 5 HA PHE 2 HA PHE 2 -7.781 -1.566 1.623 6 HB2 PHE 2 HB2 PHE 2 -7.342 0.792 2.150 7 HB3 PHE 2 HB1 PHE 2 -6.014 -0.242 2.634 8 HD1 PHE 2 HD1 PHE 2 -7.098 2.448 0.418 9 HD2 PHE 2 HD2 PHE 2 -3.840 -0.062 1.510 10 HE1 PHE 2 HE1 PHE 2 -5.544 3.956 -0.743 11 HE2 PHE 2 HE2 PHE 2 -2.287 1.439 0.349 12 HZ PHE 2 HZ PHE 2 -3.136 3.454 -0.781 13 H CYS 3 HN CYS 3 -9.485 -0.163 1.152 14 HA CYS 3 HA CYS 3 -9.753 0.338 -1.717 15 HB2 CYS 3 HB2 CYS 3 -11.910 -0.171 0.344 16 HB3 CYS 3 HB1 CYS 3 -12.150 0.037 -1.388 17 H TRP 4 HN TRP 4 -10.462 2.312 -2.371 18 HA TRP 4 HA TRP 4 -10.311 4.410 -0.379 19 HB2 TRP 4 HB2 TRP 4 -10.677 4.530 -3.377 20 HB3 TRP 4 HB1 TRP 4 -10.587 5.949 -2.343 21 HD1 TRP 4 HD1 TRP 4 -8.141 6.137 -0.942 22 HE1 TRP 4 HE1 TRP 4 -5.789 5.688 -1.861 23 HE3 TRP 4 3HE TRP 4 -9.373 3.221 -4.937 24 HZ2 TRP 4 HZ2 TRP 4 -4.600 4.295 -4.005 25 HZ3 TRP 4 HZ3 TRP 4 -7.573 2.371 -6.386 26 HH2 TRP 4 2HH TRP 4 -5.234 2.897 -5.926 27 H HIS 5 HN HIS 5 -12.551 4.219 -3.091 28 HA HIS 5 HA HIS 5 -14.748 4.431 -1.163 29 HB2 HIS 5 HB2 HIS 5 -14.620 5.659 -3.951 30 HB3 HIS 5 HB1 HIS 5 -16.031 5.677 -2.906 31 HD1 HIS 5 HD1 HIS 5 -14.270 8.224 -3.998 32 HD2 HIS 5 HD2 HIS 5 -14.360 6.605 -0.173 33 HE1 HIS 5 HE1 HIS 5 -13.590 10.074 -2.438 34 H HIS 6 HN HIS 6 -14.379 3.695 -4.620 35 HA HIS 6 HA HIS 6 -15.831 1.184 -4.095 36 HB2 HIS 6 HB2 HIS 6 -15.595 2.708 -6.719 37 HB3 HIS 6 HB1 HIS 6 -16.403 1.170 -6.514 38 HD1 HIS 6 HD1 HIS 6 -18.897 1.354 -6.196 39 HD2 HIS 6 HD2 HIS 6 -16.894 4.812 -5.050 40 HE1 HIS 6 HE1 HIS 6 -20.672 3.021 -5.593 41 H SER 7 HN SER 7 -12.985 2.660 -5.449 42 HA SER 7 HA SER 7 -12.054 0.265 -6.681 43 HB2 SER 7 HB2 SER 7 -10.804 2.976 -6.254 44 HB3 SER 7 HB1 SER 7 -10.105 1.694 -7.251 45 HG SER 7 HG SER 7 -11.906 1.773 -8.538 46 H CYS 8 HN CYS 8 -10.597 -1.134 -5.915 47 HA CYS 8 HA CYS 8 -9.459 -0.639 -3.260 48 HB2 CYS 8 HB2 CYS 8 -10.326 -3.269 -4.472 49 HB3 CYS 8 HB1 CYS 8 -9.514 -3.083 -2.922 50 H VAL 9 HN VAL 9 -7.352 -0.855 -3.016 51 HA VAL 9 HA VAL 9 -5.648 -0.931 -5.263 52 HB VAL 9 HB VAL 9 -4.963 -1.300 -2.321 53 HG11 VAL 9 HG11 VAL 9 -3.208 -0.461 -4.624 54 HG12 VAL 9 HG12 VAL 9 -3.118 -1.985 -3.739 55 HG13 VAL 9 3HG1 VAL 9 -2.734 -0.466 -2.927 56 HG21 VAL 9 HG21 VAL 9 -6.159 0.773 -2.686 57 HG22 VAL 9 HG22 VAL 9 -5.043 1.210 -3.979 58 HG23 VAL 9 HG23 VAL 9 -4.467 1.093 -2.316 59 HA PRO 10 HA PRO 10 -5.288 -5.380 -5.892 60 HB2 PRO 10 HB2 PRO 10 -2.529 -4.572 -6.705 61 HB3 PRO 10 HB1 PRO 10 -3.692 -5.588 -7.558 62 HG2 PRO 10 HG2 PRO 10 -3.290 -3.111 -8.353 63 HG3 PRO 10 HG1 PRO 10 -4.932 -3.778 -8.309 64 HD2 PRO 10 HD2 PRO 10 -3.610 -1.875 -6.431 65 HD3 PRO 10 HD1 PRO 10 -5.288 -1.915 -7.020 66 H SER 11 HN SER 11 -4.092 -7.141 -5.066 67 HA SER 11 HA SER 11 -3.437 -7.014 -2.398 68 HB2 SER 11 HB2 SER 11 -2.606 -9.078 -4.438 69 HB3 SER 11 HB1 SER 11 -2.736 -9.319 -2.695 70 HG SER 11 HG SER 11 -4.682 -9.910 -3.183 71 H GLY 12 HN GLY 12 -1.775 -6.081 -1.483 72 HA2 GLY 12 HA2 GLY 12 0.635 -6.288 -1.008 73 HA3 GLY 12 HA1 GLY 12 0.893 -6.233 -2.754 74 H THR 13 HN THR 13 -0.016 -4.398 0.062 75 HA THR 13 HA THR 13 -0.199 -1.970 -1.504 76 HB THR 13 HB THR 13 -0.851 -1.037 0.809 77 HG1 THR 13 HG1 THR 13 -0.072 -3.213 1.710 78 HG21 THR 13 HG21 THR 13 -3.153 -1.889 0.527 79 HG22 THR 13 HG22 THR 13 -2.531 -3.091 -0.611 80 HG23 THR 13 HG23 THR 13 -2.437 -1.373 -1.000 81 H CYS 14 HN CYS 14 1.371 -0.570 -1.616 82 HA CYS 14 HA CYS 14 3.539 -0.649 0.371 83 HB2 CYS 14 HB2 CYS 14 3.680 0.060 -2.562 84 HB3 CYS 14 HB1 CYS 14 4.996 0.243 -1.407 85 H ALA 15 HN ALA 15 3.607 1.146 1.569 86 HA ALA 15 HA ALA 15 2.447 3.581 0.425 87 HB1 ALA 15 HB1 ALA 15 1.659 2.991 2.696 88 HB2 ALA 15 HB2 ALA 15 2.583 4.494 2.715 89 HB3 ALA 15 HB3 ALA 15 3.331 2.996 3.262 90 H ASP 16 HN ASP 16 3.758 5.475 0.386 91 HA ASP 16 HA ASP 16 6.355 4.871 -0.524 92 HB2 ASP 16 HB2 ASP 16 5.096 7.552 0.015 93 HB3 ASP 16 HB1 ASP 16 6.690 7.344 -0.702 94 H PHE 17 HN PHE 17 7.636 4.046 0.796 95 HA PHE 17 HA PHE 17 8.403 5.460 3.205 96 HB2 PHE 17 HB2 PHE 17 8.010 2.672 2.426 97 HB3 PHE 17 HB1 PHE 17 9.437 2.874 3.378 98 HD1 PHE 17 HD1 PHE 17 5.951 4.268 3.368 99 HD2 PHE 17 HD2 PHE 17 9.082 2.532 5.604 100 HE1 PHE 17 HE1 PHE 17 4.625 4.574 5.377 101 HE2 PHE 17 HE2 PHE 17 7.759 2.820 7.682 102 HZ PHE 17 HZ PHE 17 5.521 3.843 7.572 103 HA PRO 18 HA PRO 18 12.433 6.604 1.789 104 HB2 PRO 18 HB2 PRO 18 14.079 5.402 3.688 105 HB3 PRO 18 HB1 PRO 18 13.284 6.969 3.872 106 HG2 PRO 18 HG2 PRO 18 12.413 4.278 4.845 107 HG3 PRO 18 HG1 PRO 18 12.359 5.843 5.680 108 HD2 PRO 18 HD2 PRO 18 10.155 4.834 4.637 109 HD3 PRO 18 HD1 PRO 18 10.515 6.564 4.440 110 H TRP 19 HN TRP 19 14.413 5.846 0.864 111 HA TRP 19 HA TRP 19 13.926 3.861 -0.870 112 HB2 TRP 19 HB2 TRP 19 16.365 5.357 -0.216 113 HB3 TRP 19 HB1 TRP 19 16.564 3.896 -1.187 114 HD1 TRP 19 HD1 TRP 19 15.143 7.414 -1.360 115 HE1 TRP 19 HE1 TRP 19 14.417 7.879 -3.788 116 HE3 TRP 19 3HE TRP 19 15.745 2.736 -3.289 117 HZ2 TRP 19 HZ2 TRP 19 14.117 6.429 -6.172 118 HZ3 TRP 19 HZ3 TRP 19 15.220 2.353 -5.643 119 HH2 TRP 19 2HH TRP 19 14.423 4.168 -7.066 120 HA PRO 20 HA PRO 20 14.086 2.544 -2.164 121 HB2 PRO 20 HB2 PRO 20 13.302 0.126 -2.891 122 HB3 PRO 20 HB1 PRO 20 15.035 0.488 -2.843 123 HG2 PRO 20 HG2 PRO 20 13.343 -0.916 -0.802 124 HG3 PRO 20 HG1 PRO 20 14.915 -1.427 -1.460 125 HD2 PRO 20 HD2 PRO 20 14.616 -0.137 0.937 126 HD3 PRO 20 HD1 PRO 20 16.075 0.013 -0.063 127 H LEU 21 HN LEU 21 12.772 1.279 0.616 128 HA LEU 21 HA LEU 21 10.336 2.382 0.681 129 HB2 LEU 21 HB2 LEU 21 10.195 0.278 -1.228 130 HB3 LEU 21 HB1 LEU 21 9.940 -0.376 0.395 131 HG LEU 21 HG LEU 21 7.908 0.139 -0.979 132 HD11 LEU 21 HD11 LEU 21 7.708 -0.643 1.205 133 HD12 LEU 21 HD12 LEU 21 6.718 0.827 1.176 134 HD13 LEU 21 HD13 LEU 21 8.343 0.834 1.888 135 HD21 LEU 21 HD21 LEU 21 8.435 2.406 -1.600 136 HD22 LEU 21 HD22 LEU 21 8.549 2.861 0.097 137 HD23 LEU 21 HD23 LEU 21 6.993 2.394 -0.575 138 H GLY 22 HN GLY 22 11.151 2.475 2.655 139 HA2 GLY 22 HA2 GLY 22 12.193 0.543 4.354 140 HA3 GLY 22 HA1 GLY 22 11.254 1.902 4.929 141 H HIS 23 HN HIS 23 10.675 -1.192 3.372 142 HA HIS 23 HA HIS 23 9.412 -2.924 3.779 143 HB2 HIS 23 HB2 HIS 23 9.899 -2.183 6.640 144 HB3 HIS 23 HB1 HIS 23 9.147 -3.695 6.136 145 HD1 HIS 23 HD1 HIS 23 12.304 -2.571 7.167 146 HD2 HIS 23 HD2 HIS 23 10.984 -4.931 4.018 147 HE1 HIS 23 HE1 HIS 23 14.316 -3.861 6.369 148 H GLN 24 HN GLN 24 7.809 -0.205 3.779 149 HA GLN 24 HA GLN 24 5.527 -1.121 5.237 150 HB2 GLN 24 HB2 GLN 24 6.193 1.270 5.040 151 HB3 GLN 24 HB1 GLN 24 5.670 1.223 3.370 152 HG2 GLN 24 HG2 GLN 24 4.094 2.242 4.949 153 HG3 GLN 24 HG1 GLN 24 3.394 0.948 3.995 154 HE21 GLN 24 1HE2 GLN 24 5.493 0.602 6.832 155 HE22 GLN 24 2HE2 GLN 24 4.316 -0.053 7.886 156 H CYS 25 HN CYS 25 6.664 -2.125 2.390 157 HA CYS 25 HA CYS 25 4.110 -2.536 1.093 158 HB2 CYS 25 HB2 CYS 25 6.711 -4.035 0.663 159 HB3 CYS 25 HB1 CYS 25 5.251 -4.282 -0.263 160 H PHE 26 HN PHE 26 2.643 -3.506 2.232 161 HA PHE 26 HA PHE 26 3.352 -6.077 3.448 162 HB2 PHE 26 HB2 PHE 26 1.806 -5.656 5.318 163 HB3 PHE 26 HB1 PHE 26 3.024 -4.398 5.231 164 HD1 PHE 26 HD1 PHE 26 -0.456 -5.156 5.325 165 HD2 PHE 26 HD2 PHE 26 2.346 -2.176 4.185 166 HE1 PHE 26 HE1 PHE 26 -2.239 -3.468 5.355 167 HE2 PHE 26 HE2 PHE 26 0.571 -0.487 4.209 168 HZ PHE 26 HZ PHE 26 -1.724 -1.132 4.795 169 HA PRO 27 HA PRO 27 0.091 -7.743 1.053 170 HB2 PRO 27 HB2 PRO 27 -0.652 -9.771 2.928 171 HB3 PRO 27 HB1 PRO 27 0.391 -9.931 1.516 172 HG2 PRO 27 HG2 PRO 27 1.235 -10.143 4.144 173 HG3 PRO 27 HG1 PRO 27 2.282 -9.785 2.768 174 HD2 PRO 27 HD2 PRO 27 1.144 -7.953 4.815 175 HD3 PRO 27 HD1 PRO 27 2.710 -7.890 3.981 176 H ASP 28 HN ASP 28 -1.556 -6.338 0.940 177 HA ASP 28 HA ASP 28 -4.001 -6.969 2.178 178 HB2 ASP 28 HB2 ASP 28 -2.751 -5.583 4.002 179 HB3 ASP 28 HB1 ASP 28 -2.890 -4.226 2.899 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -3.995 -3.520 0.573 2 HA2 GLY 1 HA2 GLY 1 -5.234 -3.688 -1.420 3 HA3 GLY 1 HA1 GLY 1 -5.918 -5.199 -0.835 4 H PHE 2 HN PHE 2 -5.788 -2.016 0.671 5 HA PHE 2 HA PHE 2 -8.379 -2.112 1.612 6 HB2 PHE 2 HB2 PHE 2 -8.111 0.306 2.135 7 HB3 PHE 2 HB1 PHE 2 -6.802 -0.707 2.710 8 HD1 PHE 2 HD1 PHE 2 -7.723 2.100 0.641 9 HD2 PHE 2 HD2 PHE 2 -4.596 -0.630 1.556 10 HE1 PHE 2 HE1 PHE 2 -6.084 3.627 -0.377 11 HE2 PHE 2 HE2 PHE 2 -2.961 0.895 0.533 12 HZ PHE 2 HZ PHE 2 -3.708 3.027 -0.428 13 H CYS 3 HN CYS 3 -10.252 -1.116 1.072 14 HA CYS 3 HA CYS 3 -10.431 0.067 -1.574 15 HB2 CYS 3 HB2 CYS 3 -11.016 -2.323 -1.817 16 HB3 CYS 3 HB1 CYS 3 -12.196 -2.167 -0.522 17 H TRP 4 HN TRP 4 -12.356 1.374 -1.782 18 HA TRP 4 HA TRP 4 -13.392 2.122 0.840 19 HB2 TRP 4 HB2 TRP 4 -13.200 3.849 -1.639 20 HB3 TRP 4 HB1 TRP 4 -13.821 4.361 -0.070 21 HD1 TRP 4 HD1 TRP 4 -11.949 4.503 1.919 22 HE1 TRP 4 HE1 TRP 4 -9.450 5.079 1.764 23 HE3 TRP 4 3HE TRP 4 -11.221 3.653 -3.057 24 HZ2 TRP 4 HZ2 TRP 4 -7.447 5.174 -0.192 25 HZ3 TRP 4 HZ3 TRP 4 -8.979 4.010 -3.998 26 HH2 TRP 4 2HH TRP 4 -7.129 4.752 -2.591 27 H HIS 5 HN HIS 5 -14.668 3.028 -2.300 28 HA HIS 5 HA HIS 5 -17.003 1.383 -1.702 29 HB2 HIS 5 HB2 HIS 5 -17.002 4.231 -2.753 30 HB3 HIS 5 HB1 HIS 5 -18.425 3.204 -2.709 31 HD1 HIS 5 HD1 HIS 5 -19.677 3.054 -0.454 32 HD2 HIS 5 HD2 HIS 5 -16.048 5.070 -0.200 33 HE1 HIS 5 HE1 HIS 5 -19.607 4.089 1.838 34 H HIS 6 HN HIS 6 -15.812 3.431 -4.288 35 HA HIS 6 HA HIS 6 -16.688 1.516 -6.287 36 HB2 HIS 6 HB2 HIS 6 -17.247 3.874 -6.584 37 HB3 HIS 6 HB1 HIS 6 -15.554 4.317 -6.483 38 HD1 HIS 6 HD1 HIS 6 -18.071 2.783 -8.833 39 HD2 HIS 6 HD2 HIS 6 -14.119 4.057 -8.830 40 HE1 HIS 6 HE1 HIS 6 -17.362 2.870 -11.251 41 H SER 7 HN SER 7 -13.739 3.069 -5.154 42 HA SER 7 HA SER 7 -12.195 1.454 -7.012 43 HB2 SER 7 HB2 SER 7 -11.399 3.866 -5.378 44 HB3 SER 7 HB1 SER 7 -10.397 3.050 -6.584 45 HG SER 7 HG SER 7 -12.161 3.480 -8.069 46 H CYS 8 HN CYS 8 -10.903 -0.129 -6.353 47 HA CYS 8 HA CYS 8 -10.312 -0.386 -3.501 48 HB2 CYS 8 HB2 CYS 8 -10.665 -2.610 -5.534 49 HB3 CYS 8 HB1 CYS 8 -10.280 -2.823 -3.838 50 H VAL 9 HN VAL 9 -8.146 -0.746 -3.040 51 HA VAL 9 HA VAL 9 -6.310 -0.467 -5.270 52 HB VAL 9 HB VAL 9 -5.825 -0.444 -2.256 53 HG11 VAL 9 HG11 VAL 9 -3.965 0.372 -4.493 54 HG12 VAL 9 HG12 VAL 9 -3.814 -1.084 -3.512 55 HG13 VAL 9 3HG1 VAL 9 -3.634 0.505 -2.765 56 HG21 VAL 9 HG21 VAL 9 -7.194 1.431 -2.951 57 HG22 VAL 9 HG22 VAL 9 -6.028 1.837 -4.209 58 HG23 VAL 9 HG23 VAL 9 -5.577 1.984 -2.510 59 HA PRO 10 HA PRO 10 -5.736 -4.876 -5.383 60 HB2 PRO 10 HB2 PRO 10 -3.139 -4.911 -6.318 61 HB3 PRO 10 HB1 PRO 10 -4.570 -4.739 -7.335 62 HG2 PRO 10 HG2 PRO 10 -2.739 -2.626 -6.279 63 HG3 PRO 10 HG1 PRO 10 -3.477 -2.763 -7.884 64 HD2 PRO 10 HD2 PRO 10 -4.437 -1.078 -6.061 65 HD3 PRO 10 HD1 PRO 10 -5.530 -1.973 -7.136 66 H SER 11 HN SER 11 -4.549 -6.584 -4.403 67 HA SER 11 HA SER 11 -3.678 -6.009 -1.798 68 HB2 SER 11 HB2 SER 11 -3.458 -8.539 -3.424 69 HB3 SER 11 HB1 SER 11 -3.260 -8.412 -1.674 70 HG SER 11 HG SER 11 -5.310 -8.248 -1.420 71 H GLY 12 HN GLY 12 -1.794 -5.468 -1.145 72 HA2 GLY 12 HA2 GLY 12 0.628 -5.845 -1.144 73 HA3 GLY 12 HA1 GLY 12 0.528 -5.863 -2.911 74 H THR 13 HN THR 13 0.239 -3.910 -0.073 75 HA THR 13 HA THR 13 0.124 -1.549 -1.779 76 HB THR 13 HB THR 13 -0.881 -0.427 0.257 77 HG1 THR 13 HG1 THR 13 -0.128 -2.440 1.552 78 HG21 THR 13 HG21 THR 13 -3.123 -1.384 -0.081 79 HG22 THR 13 HG22 THR 13 -2.402 -2.773 -0.894 80 HG23 THR 13 HG23 THR 13 -2.280 -1.169 -1.615 81 H CYS 14 HN CYS 14 2.000 -0.540 -1.841 82 HA CYS 14 HA CYS 14 3.533 -0.407 0.620 83 HB2 CYS 14 HB2 CYS 14 4.456 -2.186 -0.887 84 HB3 CYS 14 HB1 CYS 14 4.747 -0.929 -2.084 85 H ALA 15 HN ALA 15 4.055 1.576 1.069 86 HA ALA 15 HA ALA 15 3.711 3.705 -0.888 87 HB1 ALA 15 HB1 ALA 15 2.764 4.033 1.343 88 HB2 ALA 15 HB2 ALA 15 4.067 5.198 1.077 89 HB3 ALA 15 HB3 ALA 15 4.349 3.766 2.060 90 H ASP 16 HN ASP 16 5.452 5.264 -1.255 91 HA ASP 16 HA ASP 16 7.924 3.848 -1.530 92 HB2 ASP 16 HB2 ASP 16 8.715 5.809 -2.881 93 HB3 ASP 16 HB1 ASP 16 7.264 5.044 -3.497 94 H PHE 17 HN PHE 17 8.736 3.584 0.313 95 HA PHE 17 HA PHE 17 9.381 5.734 2.112 96 HB2 PHE 17 HB2 PHE 17 9.275 2.837 2.159 97 HB3 PHE 17 HB1 PHE 17 10.507 3.434 3.208 98 HD1 PHE 17 HD1 PHE 17 6.898 3.538 2.349 99 HD2 PHE 17 HD2 PHE 17 9.848 4.586 5.250 100 HE1 PHE 17 HE1 PHE 17 5.182 4.149 3.843 101 HE2 PHE 17 HE2 PHE 17 8.066 5.188 6.816 102 HZ PHE 17 HZ PHE 17 5.713 4.983 6.130 103 HA PRO 18 HA PRO 18 13.698 6.671 1.299 104 HB2 PRO 18 HB2 PRO 18 14.752 6.193 3.822 105 HB3 PRO 18 HB1 PRO 18 13.933 7.687 3.347 106 HG2 PRO 18 HG2 PRO 18 12.769 5.250 4.676 107 HG3 PRO 18 HG1 PRO 18 12.594 6.960 5.162 108 HD2 PRO 18 HD2 PRO 18 10.656 5.838 3.863 109 HD3 PRO 18 HD1 PRO 18 11.240 7.407 3.264 110 H TRP 19 HN TRP 19 15.806 5.714 1.218 111 HA TRP 19 HA TRP 19 15.684 3.237 0.146 112 HB2 TRP 19 HB2 TRP 19 17.963 4.988 0.822 113 HB3 TRP 19 HB1 TRP 19 18.297 3.304 0.408 114 HD1 TRP 19 HD1 TRP 19 16.913 6.525 -1.123 115 HE1 TRP 19 HE1 TRP 19 16.809 6.212 -3.671 116 HE3 TRP 19 3HE TRP 19 18.152 1.569 -1.392 117 HZ2 TRP 19 HZ2 TRP 19 17.179 4.131 -5.524 118 HZ3 TRP 19 HZ3 TRP 19 18.244 0.500 -3.593 119 HH2 TRP 19 2HH TRP 19 17.776 1.757 -5.622 120 HA PRO 20 HA PRO 20 16.357 1.585 -0.601 121 HB2 PRO 20 HB2 PRO 20 15.531 -0.939 -0.712 122 HB3 PRO 20 HB1 PRO 20 17.205 -0.602 -0.247 123 HG2 PRO 20 HG2 PRO 20 14.838 -1.184 1.502 124 HG3 PRO 20 HG1 PRO 20 16.460 -1.913 1.578 125 HD2 PRO 20 HD2 PRO 20 15.624 0.140 3.175 126 HD3 PRO 20 HD1 PRO 20 17.337 -0.067 2.714 127 H LEU 21 HN LEU 21 14.227 1.294 1.844 128 HA LEU 21 HA LEU 21 12.105 2.537 1.337 129 HB2 LEU 21 HB2 LEU 21 11.803 0.810 -0.784 130 HB3 LEU 21 HB1 LEU 21 11.347 -0.168 0.619 131 HG LEU 21 HG LEU 21 9.892 2.363 0.421 132 HD11 LEU 21 HD11 LEU 21 9.724 1.573 -1.857 133 HD12 LEU 21 HD12 LEU 21 8.211 1.407 -0.947 134 HD13 LEU 21 HD13 LEU 21 9.210 -0.024 -1.259 135 HD21 LEU 21 HD21 LEU 21 9.626 0.818 2.278 136 HD22 LEU 21 HD22 LEU 21 9.125 -0.451 1.164 137 HD23 LEU 21 HD23 LEU 21 8.121 0.993 1.374 138 H GLY 22 HN GLY 22 12.463 2.497 3.409 139 HA2 GLY 22 HA2 GLY 22 12.417 0.441 5.272 140 HA3 GLY 22 HA1 GLY 22 11.510 1.937 5.556 141 H HIS 23 HN HIS 23 11.314 -1.355 5.074 142 HA HIS 23 HA HIS 23 9.306 -1.725 3.313 143 HB2 HIS 23 HB2 HIS 23 10.192 -3.551 5.498 144 HB3 HIS 23 HB1 HIS 23 8.942 -3.992 4.338 145 HD1 HIS 23 HD1 HIS 23 12.639 -3.571 4.634 146 HD2 HIS 23 HD2 HIS 23 9.801 -4.194 1.668 147 HE1 HIS 23 HE1 HIS 23 13.909 -4.281 2.602 148 H GLN 24 HN GLN 24 7.795 -0.423 3.398 149 HA GLN 24 HA GLN 24 5.716 -0.630 5.400 150 HB2 GLN 24 HB2 GLN 24 6.294 1.551 4.566 151 HB3 GLN 24 HB1 GLN 24 6.126 1.014 2.909 152 HG2 GLN 24 HG2 GLN 24 4.315 2.451 3.673 153 HG3 GLN 24 HG1 GLN 24 3.773 0.887 3.114 154 HE21 GLN 24 1HE2 GLN 24 1.875 0.911 4.309 155 HE22 GLN 24 2HE2 GLN 24 1.834 0.853 6.036 156 H CYS 25 HN CYS 25 6.664 -2.083 2.516 157 HA CYS 25 HA CYS 25 4.286 -2.496 1.143 158 HB2 CYS 25 HB2 CYS 25 6.590 -4.440 1.216 159 HB3 CYS 25 HB1 CYS 25 5.454 -4.168 -0.090 160 H PHE 26 HN PHE 26 2.507 -3.522 1.976 161 HA PHE 26 HA PHE 26 2.906 -6.190 2.925 162 HB2 PHE 26 HB2 PHE 26 1.591 -6.005 4.946 163 HB3 PHE 26 HB1 PHE 26 2.855 -4.796 5.015 164 HD1 PHE 26 HD1 PHE 26 -0.491 -5.464 5.592 165 HD2 PHE 26 HD2 PHE 26 2.053 -2.393 4.140 166 HE1 PHE 26 HE1 PHE 26 -2.195 -3.800 6.159 167 HE2 PHE 26 HE2 PHE 26 0.356 -0.716 4.698 168 HZ PHE 26 HZ PHE 26 -1.778 -1.418 5.717 169 HA PRO 27 HA PRO 27 -0.617 -6.655 0.340 170 HB2 PRO 27 HB2 PRO 27 -1.375 -9.120 1.555 171 HB3 PRO 27 HB1 PRO 27 -0.591 -8.855 -0.006 172 HG2 PRO 27 HG2 PRO 27 0.668 -10.048 2.128 173 HG3 PRO 27 HG1 PRO 27 1.526 -9.148 0.867 174 HD2 PRO 27 HD2 PRO 27 0.713 -8.267 3.610 175 HD3 PRO 27 HD1 PRO 27 2.221 -7.958 2.717 176 H ASP 28 HN ASP 28 -1.743 -5.008 1.371 177 HA ASP 28 HA ASP 28 -3.844 -5.897 3.196 178 HB2 ASP 28 HB2 ASP 28 -2.628 -3.819 3.763 179 HB3 ASP 28 HB1 ASP 28 -3.211 -3.087 2.274 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -5.857 -4.088 2.363 2 HA2 GLY 1 HA2 GLY 1 -6.309 -4.265 -0.462 3 HA3 GLY 1 HA1 GLY 1 -7.249 -5.422 0.481 4 H PHE 2 HN PHE 2 -6.243 -2.143 1.217 5 HA PHE 2 HA PHE 2 -8.726 -1.428 2.304 6 HB2 PHE 2 HB2 PHE 2 -7.820 0.894 2.399 7 HB3 PHE 2 HB1 PHE 2 -6.773 -0.310 3.122 8 HD1 PHE 2 HD1 PHE 2 -7.215 1.931 0.206 9 HD2 PHE 2 HD2 PHE 2 -4.547 -0.670 2.286 10 HE1 PHE 2 HE1 PHE 2 -5.336 2.792 -1.110 11 HE2 PHE 2 HE2 PHE 2 -2.684 0.188 0.974 12 HZ PHE 2 HZ PHE 2 -3.067 1.926 -0.734 13 H CYS 3 HN CYS 3 -10.178 0.204 1.625 14 HA CYS 3 HA CYS 3 -10.332 0.485 -1.289 15 HB2 CYS 3 HB2 CYS 3 -12.671 0.162 0.605 16 HB3 CYS 3 HB1 CYS 3 -12.728 0.212 -1.156 17 H TRP 4 HN TRP 4 -10.893 2.497 -1.997 18 HA TRP 4 HA TRP 4 -10.547 4.597 -0.062 19 HB2 TRP 4 HB2 TRP 4 -11.030 4.704 -3.043 20 HB3 TRP 4 HB1 TRP 4 -10.735 6.123 -2.041 21 HD1 TRP 4 HD1 TRP 4 -8.260 6.537 -1.246 22 HE1 TRP 4 HE1 TRP 4 -5.997 5.586 -2.013 23 HE3 TRP 4 3HE TRP 4 -9.924 2.530 -3.918 24 HZ2 TRP 4 HZ2 TRP 4 -5.042 3.428 -3.543 25 HZ3 TRP 4 HZ3 TRP 4 -8.278 1.073 -4.998 26 HH2 TRP 4 2HH TRP 4 -5.890 1.512 -4.818 27 H HIS 5 HN HIS 5 -12.944 4.481 -2.636 28 HA HIS 5 HA HIS 5 -14.989 5.090 -0.604 29 HB2 HIS 5 HB2 HIS 5 -14.854 6.144 -3.443 30 HB3 HIS 5 HB1 HIS 5 -16.218 6.363 -2.357 31 HD1 HIS 5 HD1 HIS 5 -14.323 8.658 -3.641 32 HD2 HIS 5 HD2 HIS 5 -14.296 7.232 0.253 33 HE1 HIS 5 HE1 HIS 5 -13.340 10.494 -2.238 34 H HIS 6 HN HIS 6 -14.309 3.598 -3.684 35 HA HIS 6 HA HIS 6 -16.347 1.604 -3.130 36 HB2 HIS 6 HB2 HIS 6 -17.340 1.770 -5.388 37 HB3 HIS 6 HB1 HIS 6 -17.590 3.239 -4.456 38 HD1 HIS 6 HD1 HIS 6 -16.360 2.011 -7.625 39 HD2 HIS 6 HD2 HIS 6 -15.847 5.400 -5.316 40 HE1 HIS 6 HE1 HIS 6 -15.346 3.754 -9.162 41 H SER 7 HN SER 7 -13.601 2.648 -5.060 42 HA SER 7 HA SER 7 -13.121 0.028 -6.097 43 HB2 SER 7 HB2 SER 7 -11.358 2.484 -6.075 44 HB3 SER 7 HB1 SER 7 -11.198 1.070 -7.118 45 HG SER 7 HG SER 7 -13.426 1.646 -7.816 46 H CYS 8 HN CYS 8 -11.494 -1.359 -5.389 47 HA CYS 8 HA CYS 8 -10.261 -0.663 -2.840 48 HB2 CYS 8 HB2 CYS 8 -11.105 -3.362 -3.894 49 HB3 CYS 8 HB1 CYS 8 -10.258 -3.085 -2.374 50 H VAL 9 HN VAL 9 -8.128 -1.173 -2.543 51 HA VAL 9 HA VAL 9 -6.526 -1.154 -4.910 52 HB VAL 9 HB VAL 9 -6.029 0.009 -2.674 53 HG11 VAL 9 HG11 VAL 9 -6.451 -1.760 -1.144 54 HG12 VAL 9 HG12 VAL 9 -4.783 -1.212 -0.978 55 HG13 VAL 9 3HG1 VAL 9 -5.137 -2.717 -1.829 56 HG21 VAL 9 HG21 VAL 9 -3.620 -0.235 -2.795 57 HG22 VAL 9 HG22 VAL 9 -4.332 -0.074 -4.407 58 HG23 VAL 9 HG23 VAL 9 -3.804 -1.659 -3.817 59 HA PRO 10 HA PRO 10 -6.145 -5.606 -5.473 60 HB2 PRO 10 HB2 PRO 10 -3.286 -5.029 -6.061 61 HB3 PRO 10 HB1 PRO 10 -4.473 -5.905 -7.026 62 HG2 PRO 10 HG2 PRO 10 -3.691 -3.416 -7.668 63 HG3 PRO 10 HG1 PRO 10 -5.337 -3.985 -7.964 64 HD2 PRO 10 HD2 PRO 10 -4.326 -2.111 -5.901 65 HD3 PRO 10 HD1 PRO 10 -5.919 -2.202 -6.676 66 H SER 11 HN SER 11 -5.317 -7.359 -4.294 67 HA SER 11 HA SER 11 -4.522 -6.791 -1.646 68 HB2 SER 11 HB2 SER 11 -4.441 -9.437 -3.124 69 HB3 SER 11 HB1 SER 11 -4.421 -9.220 -1.372 70 HG SER 11 HG SER 11 -6.472 -8.105 -2.913 71 H GLY 12 HN GLY 12 -2.647 -6.204 -1.027 72 HA2 GLY 12 HA2 GLY 12 -0.245 -6.567 -0.752 73 HA3 GLY 12 HA1 GLY 12 -0.233 -7.239 -2.385 74 H THR 13 HN THR 13 -0.179 -4.387 -0.486 75 HA THR 13 HA THR 13 -0.366 -2.679 -2.837 76 HB THR 13 HB THR 13 -0.337 -1.915 0.056 77 HG1 THR 13 HG1 THR 13 -2.382 -2.980 -1.573 78 HG21 THR 13 HG21 THR 13 -1.418 -0.559 -2.426 79 HG22 THR 13 HG22 THR 13 0.033 -0.091 -1.536 80 HG23 THR 13 HG23 THR 13 -1.558 0.072 -0.787 81 H CYS 14 HN CYS 14 1.547 -2.292 -3.673 82 HA CYS 14 HA CYS 14 3.862 -2.214 -1.950 83 HB2 CYS 14 HB2 CYS 14 3.654 -2.249 -4.960 84 HB3 CYS 14 HB1 CYS 14 5.164 -2.200 -4.063 85 H ALA 15 HN ALA 15 5.014 -0.413 -1.542 86 HA ALA 15 HA ALA 15 4.455 2.030 -2.954 87 HB1 ALA 15 HB1 ALA 15 4.026 1.727 0.024 88 HB2 ALA 15 HB2 ALA 15 2.757 2.013 -1.171 89 HB3 ALA 15 HB3 ALA 15 3.982 3.247 -0.864 90 H ASP 16 HN ASP 16 6.143 3.474 -2.710 91 HA ASP 16 HA ASP 16 8.581 2.309 -1.611 92 HB2 ASP 16 HB2 ASP 16 8.758 3.057 -3.932 93 HB3 ASP 16 HB1 ASP 16 8.176 4.656 -3.488 94 H PHE 17 HN PHE 17 8.999 2.830 0.357 95 HA PHE 17 HA PHE 17 7.966 5.314 1.464 96 HB2 PHE 17 HB2 PHE 17 9.112 2.845 2.779 97 HB3 PHE 17 HB1 PHE 17 8.487 4.244 3.637 98 HD1 PHE 17 HD1 PHE 17 6.071 4.815 3.335 99 HD2 PHE 17 HD2 PHE 17 7.704 1.092 2.133 100 HE1 PHE 17 HE1 PHE 17 3.846 3.860 3.363 101 HE2 PHE 17 HE2 PHE 17 5.466 0.088 2.154 102 HZ PHE 17 HZ PHE 17 3.510 1.467 2.770 103 HA PRO 18 HA PRO 18 12.207 6.988 1.862 104 HB2 PRO 18 HB2 PRO 18 11.492 7.615 4.655 105 HB3 PRO 18 HB1 PRO 18 12.009 8.710 3.369 106 HG2 PRO 18 HG2 PRO 18 9.492 8.739 4.221 107 HG3 PRO 18 HG1 PRO 18 9.864 8.902 2.496 108 HD2 PRO 18 HD2 PRO 18 8.876 6.488 3.985 109 HD3 PRO 18 HD1 PRO 18 8.400 7.105 2.399 110 H TRP 19 HN TRP 19 14.107 6.465 2.752 111 HA TRP 19 HA TRP 19 14.445 3.896 3.798 112 HB2 TRP 19 HB2 TRP 19 16.474 4.473 2.923 113 HB3 TRP 19 HB1 TRP 19 16.070 6.176 2.980 114 HD1 TRP 19 HD1 TRP 19 16.696 7.459 5.196 115 HE1 TRP 19 HE1 TRP 19 18.631 7.067 6.917 116 HE3 TRP 19 3HE TRP 19 17.910 2.691 3.929 117 HZ2 TRP 19 HZ2 TRP 19 20.412 4.985 7.577 118 HZ3 TRP 19 HZ3 TRP 19 19.738 1.558 5.124 119 HH2 TRP 19 2HH TRP 19 20.965 2.683 6.910 120 HA PRO 20 HA PRO 20 15.882 2.867 5.212 121 HB2 PRO 20 HB2 PRO 20 15.679 1.269 7.481 122 HB3 PRO 20 HB1 PRO 20 16.996 2.389 7.126 123 HG2 PRO 20 HG2 PRO 20 15.069 2.610 9.214 124 HG3 PRO 20 HG1 PRO 20 16.299 3.797 8.760 125 HD2 PRO 20 HD2 PRO 20 13.415 3.687 8.063 126 HD3 PRO 20 HD1 PRO 20 14.477 5.097 8.250 127 H LEU 21 HN LEU 21 12.792 3.220 5.478 128 HA LEU 21 HA LEU 21 11.840 0.537 5.528 129 HB2 LEU 21 HB2 LEU 21 10.816 3.134 4.609 130 HB3 LEU 21 HB1 LEU 21 9.798 1.683 4.513 131 HG LEU 21 HG LEU 21 10.914 2.939 7.044 132 HD11 LEU 21 HD11 LEU 21 8.125 2.947 5.903 133 HD12 LEU 21 HD12 LEU 21 9.208 4.337 6.016 134 HD13 LEU 21 HD13 LEU 21 8.593 3.574 7.483 135 HD21 LEU 21 HD21 LEU 21 10.599 0.516 7.215 136 HD22 LEU 21 HD22 LEU 21 8.937 0.699 6.655 137 HD23 LEU 21 HD23 LEU 21 9.432 1.399 8.196 138 H GLY 22 HN GLY 22 11.904 2.949 2.911 139 HA2 GLY 22 HA2 GLY 22 12.509 2.706 0.710 140 HA3 GLY 22 HA1 GLY 22 13.113 1.093 1.086 141 H HIS 23 HN HIS 23 12.130 0.219 -0.767 142 HA HIS 23 HA HIS 23 9.256 0.384 -0.935 143 HB2 HIS 23 HB2 HIS 23 10.626 0.368 -3.018 144 HB3 HIS 23 HB1 HIS 23 11.193 -1.245 -2.601 145 HD1 HIS 23 HD1 HIS 23 10.009 -2.964 -4.002 146 HD2 HIS 23 HD2 HIS 23 7.577 0.269 -3.056 147 HE1 HIS 23 HE1 HIS 23 7.780 -3.434 -5.064 148 H GLN 24 HN GLN 24 8.741 -0.488 0.999 149 HA GLN 24 HA GLN 24 9.538 -3.140 1.746 150 HB2 GLN 24 HB2 GLN 24 7.330 -1.402 2.863 151 HB3 GLN 24 HB1 GLN 24 7.868 -2.902 3.580 152 HG2 GLN 24 HG2 GLN 24 9.682 -0.525 3.216 153 HG3 GLN 24 HG1 GLN 24 8.668 -0.730 4.631 154 HE21 GLN 24 1HE2 GLN 24 10.387 -3.461 3.066 155 HE22 GLN 24 2HE2 GLN 24 11.468 -3.671 4.367 156 H CYS 25 HN CYS 25 6.473 -1.706 0.732 157 HA CYS 25 HA CYS 25 4.571 -2.506 -0.157 158 HB2 CYS 25 HB2 CYS 25 6.007 -3.542 -1.940 159 HB3 CYS 25 HB1 CYS 25 6.169 -4.985 -0.949 160 H PHE 26 HN PHE 26 2.777 -3.322 0.809 161 HA PHE 26 HA PHE 26 3.269 -5.319 2.862 162 HB2 PHE 26 HB2 PHE 26 1.844 -4.067 4.463 163 HB3 PHE 26 HB1 PHE 26 3.267 -3.155 3.993 164 HD1 PHE 26 HD1 PHE 26 2.975 -1.297 2.260 165 HD2 PHE 26 HD2 PHE 26 -0.286 -3.196 4.216 166 HE1 PHE 26 HE1 PHE 26 1.529 0.604 1.682 167 HE2 PHE 26 HE2 PHE 26 -1.737 -1.320 3.643 168 HZ PHE 26 HZ PHE 26 -0.837 0.600 2.369 169 HA PRO 27 HA PRO 27 -0.390 -7.087 1.139 170 HB2 PRO 27 HB2 PRO 27 -0.979 -8.729 3.353 171 HB3 PRO 27 HB1 PRO 27 0.027 -9.153 1.969 172 HG2 PRO 27 HG2 PRO 27 0.915 -8.833 4.613 173 HG3 PRO 27 HG1 PRO 27 1.941 -8.896 3.172 174 HD2 PRO 27 HD2 PRO 27 0.972 -6.528 4.710 175 HD3 PRO 27 HD1 PRO 27 2.514 -6.776 3.863 176 H ASP 28 HN ASP 28 -2.033 -5.600 1.042 177 HA ASP 28 HA ASP 28 -3.946 -5.668 3.226 178 HB2 ASP 28 HB2 ASP 28 -2.289 -3.631 3.410 179 HB3 ASP 28 HB1 ASP 28 -3.227 -2.981 2.073 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -4.411 -4.360 2.757 2 HA2 GLY 1 HA2 GLY 1 -4.316 -4.595 0.075 3 HA3 GLY 1 HA1 GLY 1 -5.903 -5.250 0.516 4 H PHE 2 HN PHE 2 -4.439 -2.401 -0.351 5 HA PHE 2 HA PHE 2 -5.982 -1.006 1.625 6 HB2 PHE 2 HB2 PHE 2 -4.778 1.060 1.126 7 HB3 PHE 2 HB1 PHE 2 -3.702 -0.241 1.573 8 HD1 PHE 2 HD1 PHE 2 -4.405 2.342 -0.734 9 HD2 PHE 2 HD2 PHE 2 -2.428 -1.429 -0.409 10 HE1 PHE 2 HE1 PHE 2 -3.001 2.894 -2.668 11 HE2 PHE 2 HE2 PHE 2 -1.049 -0.872 -2.326 12 HZ PHE 2 HZ PHE 2 -1.317 1.283 -3.463 13 H CYS 3 HN CYS 3 -7.704 0.030 1.367 14 HA CYS 3 HA CYS 3 -8.614 0.783 -1.286 15 HB2 CYS 3 HB2 CYS 3 -9.498 -1.496 -0.872 16 HB3 CYS 3 HB1 CYS 3 -10.170 -0.953 0.659 17 H TRP 4 HN TRP 4 -9.764 2.674 -1.190 18 HA TRP 4 HA TRP 4 -9.832 3.927 1.418 19 HB2 TRP 4 HB2 TRP 4 -10.443 5.086 -1.309 20 HB3 TRP 4 HB1 TRP 4 -10.387 6.008 0.192 21 HD1 TRP 4 HD1 TRP 4 -7.937 6.322 1.322 22 HE1 TRP 4 HE1 TRP 4 -5.600 6.297 0.287 23 HE3 TRP 4 3HE TRP 4 -9.061 4.047 -3.085 24 HZ2 TRP 4 HZ2 TRP 4 -4.379 5.413 -2.135 25 HZ3 TRP 4 HZ3 TRP 4 -7.264 3.643 -4.706 26 HH2 TRP 4 2HH TRP 4 -4.973 4.310 -4.232 27 H HIS 5 HN HIS 5 -12.256 4.427 -1.093 28 HA HIS 5 HA HIS 5 -14.219 3.661 0.950 29 HB2 HIS 5 HB2 HIS 5 -14.619 5.479 -1.452 30 HB3 HIS 5 HB1 HIS 5 -15.853 5.057 -0.278 31 HD1 HIS 5 HD1 HIS 5 -15.939 6.510 1.879 32 HD2 HIS 5 HD2 HIS 5 -12.550 7.154 -0.446 33 HE1 HIS 5 HE1 HIS 5 -14.825 8.531 2.826 34 H HIS 6 HN HIS 6 -14.106 3.845 -2.570 35 HA HIS 6 HA HIS 6 -15.023 1.061 -2.604 36 HB2 HIS 6 HB2 HIS 6 -15.890 3.298 -4.436 37 HB3 HIS 6 HB1 HIS 6 -16.175 1.600 -4.806 38 HD1 HIS 6 HD1 HIS 6 -17.683 4.441 -3.074 39 HD2 HIS 6 HD2 HIS 6 -17.840 0.300 -2.782 40 HE1 HIS 6 HE1 HIS 6 -19.761 3.912 -1.757 41 H SER 7 HN SER 7 -12.760 3.362 -3.756 42 HA SER 7 HA SER 7 -11.769 1.726 -5.872 43 HB2 SER 7 HB2 SER 7 -10.498 4.047 -4.448 44 HB3 SER 7 HB1 SER 7 -10.026 3.399 -6.019 45 HG SER 7 HG SER 7 -12.561 3.879 -6.215 46 H CYS 8 HN CYS 8 -10.958 -0.105 -5.270 47 HA CYS 8 HA CYS 8 -9.238 -0.252 -2.916 48 HB2 CYS 8 HB2 CYS 8 -10.655 -2.486 -4.386 49 HB3 CYS 8 HB1 CYS 8 -9.696 -2.660 -2.928 50 H VAL 9 HN VAL 9 -7.167 -0.930 -3.176 51 HA VAL 9 HA VAL 9 -6.334 -1.370 -5.923 52 HB VAL 9 HB VAL 9 -4.620 -0.663 -3.510 53 HG11 VAL 9 HG11 VAL 9 -4.071 -0.580 -6.465 54 HG12 VAL 9 HG12 VAL 9 -3.361 -1.697 -5.292 55 HG13 VAL 9 3HG1 VAL 9 -3.002 0.034 -5.212 56 HG21 VAL 9 HG21 VAL 9 -6.209 1.136 -3.941 57 HG22 VAL 9 HG22 VAL 9 -5.714 1.179 -5.634 58 HG23 VAL 9 HG23 VAL 9 -4.570 1.626 -4.369 59 HA PRO 10 HA PRO 10 -6.256 -5.669 -4.903 60 HB2 PRO 10 HB2 PRO 10 -4.547 -6.496 -6.875 61 HB3 PRO 10 HB1 PRO 10 -6.267 -6.158 -7.118 62 HG2 PRO 10 HG2 PRO 10 -3.895 -4.411 -7.640 63 HG3 PRO 10 HG1 PRO 10 -5.327 -4.675 -8.651 64 HD2 PRO 10 HD2 PRO 10 -5.095 -2.487 -7.172 65 HD3 PRO 10 HD1 PRO 10 -6.663 -3.308 -7.329 66 H SER 11 HN SER 11 -4.893 -7.438 -4.382 67 HA SER 11 HA SER 11 -2.731 -6.788 -2.685 68 HB2 SER 11 HB2 SER 11 -4.346 -8.685 -2.335 69 HB3 SER 11 HB1 SER 11 -3.625 -9.496 -3.721 70 HG SER 11 HG SER 11 -2.123 -10.177 -2.462 71 H GLY 12 HN GLY 12 -0.584 -6.984 -3.076 72 HA2 GLY 12 HA2 GLY 12 1.263 -7.874 -4.382 73 HA3 GLY 12 HA1 GLY 12 0.234 -7.736 -5.809 74 H THR 13 HN THR 13 -0.635 -5.170 -4.263 75 HA THR 13 HA THR 13 1.126 -3.408 -5.698 76 HB THR 13 HB THR 13 -1.087 -2.757 -3.784 77 HG1 THR 13 HG1 THR 13 -2.218 -3.708 -5.319 78 HG21 THR 13 HG21 THR 13 0.443 -0.910 -4.288 79 HG22 THR 13 HG22 THR 13 -1.157 -0.618 -4.927 80 HG23 THR 13 HG23 THR 13 0.147 -1.117 -6.022 81 H CYS 14 HN CYS 14 2.977 -2.837 -4.794 82 HA CYS 14 HA CYS 14 3.052 -2.770 -1.914 83 HB2 CYS 14 HB2 CYS 14 4.710 -4.265 -3.036 84 HB3 CYS 14 HB1 CYS 14 5.401 -2.848 -3.815 85 H ALA 15 HN ALA 15 3.207 -0.771 -0.943 86 HA ALA 15 HA ALA 15 3.308 1.544 -2.594 87 HB1 ALA 15 HB1 ALA 15 3.032 2.754 -0.472 88 HB2 ALA 15 HB2 ALA 15 3.263 1.246 0.413 89 HB3 ALA 15 HB3 ALA 15 1.852 1.453 -0.624 90 H ASP 16 HN ASP 16 4.996 2.754 -2.991 91 HA ASP 16 HA ASP 16 7.612 1.750 -2.242 92 HB2 ASP 16 HB2 ASP 16 6.838 3.975 -4.150 93 HB3 ASP 16 HB1 ASP 16 8.441 3.294 -3.950 94 H PHE 17 HN PHE 17 8.245 2.504 -0.268 95 HA PHE 17 HA PHE 17 7.908 5.375 0.238 96 HB2 PHE 17 HB2 PHE 17 8.141 3.069 2.175 97 HB3 PHE 17 HB1 PHE 17 8.250 4.749 2.666 98 HD1 PHE 17 HD1 PHE 17 6.229 6.220 1.780 99 HD2 PHE 17 HD2 PHE 17 6.142 2.025 2.407 100 HE1 PHE 17 HE1 PHE 17 3.805 6.327 2.039 101 HE2 PHE 17 HE2 PHE 17 3.699 2.109 2.668 102 HZ PHE 17 HZ PHE 17 2.523 4.263 2.486 103 HA PRO 18 HA PRO 18 12.389 5.741 0.351 104 HB2 PRO 18 HB2 PRO 18 12.671 7.672 2.222 105 HB3 PRO 18 HB1 PRO 18 12.092 8.036 0.594 106 HG2 PRO 18 HG2 PRO 18 10.541 7.708 3.129 107 HG3 PRO 18 HG1 PRO 18 10.331 8.904 1.836 108 HD2 PRO 18 HD2 PRO 18 8.765 6.714 2.086 109 HD3 PRO 18 HD1 PRO 18 9.127 7.431 0.513 110 H TRP 19 HN TRP 19 14.113 5.271 1.619 111 HA TRP 19 HA TRP 19 13.686 3.349 3.623 112 HB2 TRP 19 HB2 TRP 19 15.764 2.874 2.833 113 HB3 TRP 19 HB1 TRP 19 15.875 4.443 2.066 114 HD1 TRP 19 HD1 TRP 19 16.967 6.382 3.507 115 HE1 TRP 19 HE1 TRP 19 18.799 6.276 5.378 116 HE3 TRP 19 3HE TRP 19 16.635 1.444 4.676 117 HZ2 TRP 19 HZ2 TRP 19 19.900 4.337 7.069 118 HZ3 TRP 19 HZ3 TRP 19 18.108 0.524 6.416 119 HH2 TRP 19 2HH TRP 19 19.708 1.941 7.587 120 HA PRO 20 HA PRO 20 14.878 2.661 5.463 121 HB2 PRO 20 HB2 PRO 20 14.510 2.077 8.014 122 HB3 PRO 20 HB1 PRO 20 15.851 3.122 7.518 123 HG2 PRO 20 HG2 PRO 20 13.215 3.866 8.708 124 HG3 PRO 20 HG1 PRO 20 14.824 4.531 9.042 125 HD2 PRO 20 HD2 PRO 20 12.929 5.660 7.324 126 HD3 PRO 20 HD1 PRO 20 14.662 6.036 7.329 127 H LEU 21 HN LEU 21 11.968 3.946 5.375 128 HA LEU 21 HA LEU 21 10.313 1.843 6.322 129 HB2 LEU 21 HB2 LEU 21 10.055 3.956 4.300 130 HB3 LEU 21 HB1 LEU 21 8.659 2.937 4.701 131 HG LEU 21 HG LEU 21 10.096 4.947 6.473 132 HD11 LEU 21 HD11 LEU 21 7.303 4.920 5.344 133 HD12 LEU 21 HD12 LEU 21 8.627 5.966 4.830 134 HD13 LEU 21 HD13 LEU 21 7.954 6.128 6.451 135 HD21 LEU 21 HD21 LEU 21 8.382 4.438 8.156 136 HD22 LEU 21 HD22 LEU 21 9.391 3.036 7.813 137 HD23 LEU 21 HD23 LEU 21 7.766 3.142 7.131 138 H GLY 22 HN GLY 22 11.183 2.869 3.049 139 HA2 GLY 22 HA2 GLY 22 11.740 1.675 1.194 140 HA3 GLY 22 HA1 GLY 22 11.971 0.267 2.224 141 H HIS 23 HN HIS 23 10.880 -1.252 1.172 142 HA HIS 23 HA HIS 23 8.283 -0.617 0.102 143 HB2 HIS 23 HB2 HIS 23 9.895 -3.173 0.005 144 HB3 HIS 23 HB1 HIS 23 8.297 -2.988 -0.707 145 HD1 HIS 23 HD1 HIS 23 11.742 -2.815 -1.606 146 HD2 HIS 23 HD2 HIS 23 8.328 -0.711 -2.652 147 HE1 HIS 23 HE1 HIS 23 12.268 -1.681 -3.781 148 H GLN 24 HN GLN 24 7.132 -0.209 1.877 149 HA GLN 24 HA GLN 24 6.832 -2.178 3.964 150 HB2 GLN 24 HB2 GLN 24 5.227 0.306 3.338 151 HB3 GLN 24 HB1 GLN 24 4.932 -0.721 4.727 152 HG2 GLN 24 HG2 GLN 24 7.504 0.749 4.180 153 HG3 GLN 24 HG1 GLN 24 6.238 1.296 5.273 154 HE21 GLN 24 1HE2 GLN 24 5.696 -1.426 6.258 155 HE22 GLN 24 2HE2 GLN 24 7.019 -1.805 7.296 156 H CYS 25 HN CYS 25 5.380 -1.391 0.976 157 HA CYS 25 HA CYS 25 3.817 -2.306 -0.311 158 HB2 CYS 25 HB2 CYS 25 4.134 -4.701 1.504 159 HB3 CYS 25 HB1 CYS 25 3.296 -4.708 -0.045 160 H PHE 26 HN PHE 26 1.513 -3.514 -0.174 161 HA PHE 26 HA PHE 26 -0.161 -1.910 1.397 162 HB2 PHE 26 HB2 PHE 26 -1.946 -3.432 0.636 163 HB3 PHE 26 HB1 PHE 26 -0.867 -3.065 -0.707 164 HD1 PHE 26 HD1 PHE 26 0.814 -4.777 -1.402 165 HD2 PHE 26 HD2 PHE 26 -2.254 -5.633 1.377 166 HE1 PHE 26 HE1 PHE 26 1.191 -7.124 -1.751 167 HE2 PHE 26 HE2 PHE 26 -1.905 -8.013 1.048 168 HZ PHE 26 HZ PHE 26 -0.173 -8.798 -0.531 169 HA PRO 27 HA PRO 27 0.051 -4.357 5.162 170 HB2 PRO 27 HB2 PRO 27 -2.728 -3.681 5.808 171 HB3 PRO 27 HB1 PRO 27 -1.251 -3.150 6.613 172 HG2 PRO 27 HG2 PRO 27 -2.794 -1.466 5.141 173 HG3 PRO 27 HG1 PRO 27 -1.038 -1.276 5.296 174 HD2 PRO 27 HD2 PRO 27 -2.627 -2.469 3.049 175 HD3 PRO 27 HD1 PRO 27 -1.217 -1.385 2.992 176 H ASP 28 HN ASP 28 -3.324 -4.488 4.169 177 HA ASP 28 HA ASP 28 -3.058 -7.387 3.699 178 HB2 ASP 28 HB2 ASP 28 -5.345 -5.854 4.949 179 HB3 ASP 28 HB1 ASP 28 -5.501 -7.512 4.382 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -4.071 -4.278 1.814 2 HA2 GLY 1 HA2 GLY 1 -3.102 -3.218 -0.564 3 HA3 GLY 1 HA1 GLY 1 -4.708 -3.894 -0.857 4 H PHE 2 HN PHE 2 -5.530 -1.750 -1.187 5 HA PHE 2 HA PHE 2 -6.473 -0.722 1.259 6 HB2 PHE 2 HB2 PHE 2 -5.791 1.643 0.907 7 HB3 PHE 2 HB1 PHE 2 -4.436 0.581 1.216 8 HD1 PHE 2 HD1 PHE 2 -3.090 -0.195 -0.847 9 HD2 PHE 2 HD2 PHE 2 -5.788 3.072 -0.867 10 HE1 PHE 2 HE1 PHE 2 -1.929 0.735 -2.799 11 HE2 PHE 2 HE2 PHE 2 -4.636 4.015 -2.838 12 HZ PHE 2 HZ PHE 2 -2.704 2.842 -3.803 13 H CYS 3 HN CYS 3 -8.456 -0.110 1.100 14 HA CYS 3 HA CYS 3 -9.548 0.639 -1.496 15 HB2 CYS 3 HB2 CYS 3 -10.702 -1.539 0.276 16 HB3 CYS 3 HB1 CYS 3 -11.376 -0.974 -1.251 17 H TRP 4 HN TRP 4 -11.191 2.134 -1.264 18 HA TRP 4 HA TRP 4 -11.527 3.035 1.488 19 HB2 TRP 4 HB2 TRP 4 -12.109 4.534 -1.070 20 HB3 TRP 4 HB1 TRP 4 -12.136 5.204 0.560 21 HD1 TRP 4 HD1 TRP 4 -9.710 5.519 1.759 22 HE1 TRP 4 HE1 TRP 4 -7.375 5.864 0.730 23 HE3 TRP 4 3HE TRP 4 -10.666 3.922 -2.983 24 HZ2 TRP 4 HZ2 TRP 4 -6.113 5.516 -1.759 25 HZ3 TRP 4 HZ3 TRP 4 -8.846 3.956 -4.637 26 HH2 TRP 4 2HH TRP 4 -6.615 4.736 -4.036 27 H HIS 5 HN HIS 5 -13.694 3.593 -1.262 28 HA HIS 5 HA HIS 5 -15.734 2.211 0.310 29 HB2 HIS 5 HB2 HIS 5 -16.085 4.743 -1.322 30 HB3 HIS 5 HB1 HIS 5 -17.422 3.815 -0.655 31 HD1 HIS 5 HD1 HIS 5 -18.080 4.388 1.746 32 HD2 HIS 5 HD2 HIS 5 -14.375 5.918 0.665 33 HE1 HIS 5 HE1 HIS 5 -17.344 5.838 3.658 34 H HIS 6 HN HIS 6 -15.771 3.550 -2.983 35 HA HIS 6 HA HIS 6 -16.645 0.908 -3.831 36 HB2 HIS 6 HB2 HIS 6 -17.932 3.006 -4.496 37 HB3 HIS 6 HB1 HIS 6 -16.562 3.420 -5.520 38 HD1 HIS 6 HD1 HIS 6 -19.592 1.274 -5.397 39 HD2 HIS 6 HD2 HIS 6 -16.191 1.677 -7.740 40 HE1 HIS 6 HE1 HIS 6 -20.050 -0.005 -7.511 41 H SER 7 HN SER 7 -14.050 3.229 -4.266 42 HA SER 7 HA SER 7 -12.750 1.645 -6.252 43 HB2 SER 7 HB2 SER 7 -11.794 4.043 -4.668 44 HB3 SER 7 HB1 SER 7 -10.976 3.346 -6.069 45 HG SER 7 HG SER 7 -12.514 4.077 -7.373 46 H CYS 8 HN CYS 8 -11.407 0.029 -5.887 47 HA CYS 8 HA CYS 8 -10.246 -0.339 -3.237 48 HB2 CYS 8 HB2 CYS 8 -12.363 -1.603 -3.421 49 HB3 CYS 8 HB1 CYS 8 -11.752 -2.403 -4.856 50 H VAL 9 HN VAL 9 -8.113 -0.603 -3.465 51 HA VAL 9 HA VAL 9 -6.987 -1.098 -6.065 52 HB VAL 9 HB VAL 9 -5.713 -0.441 -3.382 53 HG11 VAL 9 HG11 VAL 9 -3.661 0.045 -4.628 54 HG12 VAL 9 HG12 VAL 9 -4.423 -0.516 -6.111 55 HG13 VAL 9 3HG1 VAL 9 -4.111 -1.648 -4.800 56 HG21 VAL 9 HG21 VAL 9 -6.234 1.266 -5.804 57 HG22 VAL 9 HG22 VAL 9 -5.360 1.779 -4.358 58 HG23 VAL 9 HG23 VAL 9 -7.072 1.362 -4.254 59 HA PRO 10 HA PRO 10 -6.662 -5.483 -5.602 60 HB2 PRO 10 HB2 PRO 10 -4.251 -5.782 -6.981 61 HB3 PRO 10 HB1 PRO 10 -5.868 -5.811 -7.688 62 HG2 PRO 10 HG2 PRO 10 -3.913 -3.569 -7.512 63 HG3 PRO 10 HG1 PRO 10 -5.028 -3.982 -8.826 64 HD2 PRO 10 HD2 PRO 10 -5.544 -1.958 -7.197 65 HD3 PRO 10 HD1 PRO 10 -6.854 -3.029 -7.737 66 H SER 11 HN SER 11 -5.668 -7.043 -4.439 67 HA SER 11 HA SER 11 -4.040 -6.340 -2.276 68 HB2 SER 11 HB2 SER 11 -4.639 -9.059 -3.458 69 HB3 SER 11 HB1 SER 11 -4.049 -8.738 -1.828 70 HG SER 11 HG SER 11 -5.938 -7.849 -1.276 71 H GLY 12 HN GLY 12 -1.885 -6.431 -2.049 72 HA2 GLY 12 HA2 GLY 12 0.279 -7.323 -2.572 73 HA3 GLY 12 HA1 GLY 12 -0.294 -7.649 -4.202 74 H THR 13 HN THR 13 -1.129 -4.640 -2.797 75 HA THR 13 HA THR 13 0.602 -3.361 -4.697 76 HB THR 13 HB THR 13 -1.495 -2.139 -2.929 77 HG1 THR 13 HG1 THR 13 -2.543 -3.384 -4.518 78 HG21 THR 13 HG21 THR 13 0.066 -1.010 -5.265 79 HG22 THR 13 HG22 THR 13 0.178 -0.485 -3.583 80 HG23 THR 13 HG23 THR 13 -1.302 -0.206 -4.506 81 H CYS 14 HN CYS 14 2.499 -2.811 -4.104 82 HA CYS 14 HA CYS 14 3.005 -2.337 -1.278 83 HB2 CYS 14 HB2 CYS 14 4.296 -4.183 -2.271 84 HB3 CYS 14 HB1 CYS 14 4.983 -3.059 -3.439 85 H ALA 15 HN ALA 15 4.528 -0.619 -0.748 86 HA ALA 15 HA ALA 15 4.367 1.569 -2.661 87 HB1 ALA 15 HB1 ALA 15 3.840 1.665 0.302 88 HB2 ALA 15 HB2 ALA 15 2.650 1.886 -0.984 89 HB3 ALA 15 HB3 ALA 15 3.947 3.061 -0.763 90 H ASP 16 HN ASP 16 6.082 2.843 -2.729 91 HA ASP 16 HA ASP 16 8.570 1.932 -1.572 92 HB2 ASP 16 HB2 ASP 16 8.666 2.513 -3.892 93 HB3 ASP 16 HB1 ASP 16 7.844 4.040 -3.613 94 H PHE 17 HN PHE 17 9.251 2.691 0.302 95 HA PHE 17 HA PHE 17 8.517 5.413 1.058 96 HB2 PHE 17 HB2 PHE 17 9.122 3.001 2.785 97 HB3 PHE 17 HB1 PHE 17 8.940 4.634 3.408 98 HD1 PHE 17 HD1 PHE 17 6.776 5.737 3.318 99 HD2 PHE 17 HD2 PHE 17 7.259 1.685 2.198 100 HE1 PHE 17 HE1 PHE 17 4.360 5.415 3.513 101 HE2 PHE 17 HE2 PHE 17 4.833 1.330 2.388 102 HZ PHE 17 HZ PHE 17 3.374 3.196 3.048 103 HA PRO 18 HA PRO 18 12.898 6.543 1.032 104 HB2 PRO 18 HB2 PRO 18 12.338 7.478 3.801 105 HB3 PRO 18 HB1 PRO 18 13.104 8.338 2.462 106 HG2 PRO 18 HG2 PRO 18 10.633 8.944 3.126 107 HG3 PRO 18 HG1 PRO 18 11.065 8.779 1.415 108 HD2 PRO 18 HD2 PRO 18 9.602 6.870 3.190 109 HD3 PRO 18 HD1 PRO 18 9.304 7.293 1.490 110 H TRP 19 HN TRP 19 14.703 5.769 1.672 111 HA TRP 19 HA TRP 19 14.831 3.368 3.104 112 HB2 TRP 19 HB2 TRP 19 16.649 3.429 1.742 113 HB3 TRP 19 HB1 TRP 19 16.592 5.178 1.628 114 HD1 TRP 19 HD1 TRP 19 18.001 6.521 3.316 115 HE1 TRP 19 HE1 TRP 19 20.118 5.910 4.712 116 HE3 TRP 19 3HE TRP 19 17.748 1.475 2.897 117 HZ2 TRP 19 HZ2 TRP 19 21.446 3.548 5.492 118 HZ3 TRP 19 HZ3 TRP 19 19.470 0.091 3.978 119 HH2 TRP 19 2HH TRP 19 21.282 1.110 5.249 120 HA PRO 20 HA PRO 20 16.153 2.264 4.414 121 HB2 PRO 20 HB2 PRO 20 16.455 1.039 6.748 122 HB3 PRO 20 HB1 PRO 20 17.659 2.193 6.163 123 HG2 PRO 20 HG2 PRO 20 15.574 2.534 8.258 124 HG3 PRO 20 HG1 PRO 20 17.206 3.219 8.166 125 HD2 PRO 20 HD2 PRO 20 14.777 4.493 7.443 126 HD3 PRO 20 HD1 PRO 20 16.419 5.086 7.134 127 H LEU 21 HN LEU 21 13.323 3.378 5.107 128 HA LEU 21 HA LEU 21 11.837 1.191 6.177 129 HB2 LEU 21 HB2 LEU 21 11.213 3.492 4.440 130 HB3 LEU 21 HB1 LEU 21 9.937 2.387 4.954 131 HG LEU 21 HG LEU 21 11.632 4.117 6.779 132 HD11 LEU 21 HD11 LEU 21 10.125 5.419 5.343 133 HD12 LEU 21 HD12 LEU 21 9.606 5.440 7.027 134 HD13 LEU 21 HD13 LEU 21 8.770 4.412 5.861 135 HD21 LEU 21 HD21 LEU 21 10.818 2.067 7.836 136 HD22 LEU 21 HD22 LEU 21 9.187 2.443 7.278 137 HD23 LEU 21 HD23 LEU 21 9.974 3.486 8.463 138 H GLY 22 HN GLY 22 12.389 2.445 2.928 139 HA2 GLY 22 HA2 GLY 22 12.476 1.416 0.884 140 HA3 GLY 22 HA1 GLY 22 12.671 -0.103 1.746 141 H HIS 23 HN HIS 23 11.279 -1.366 0.680 142 HA HIS 23 HA HIS 23 8.605 -0.430 0.178 143 HB2 HIS 23 HB2 HIS 23 9.956 -3.055 -0.476 144 HB3 HIS 23 HB1 HIS 23 8.256 -2.741 -0.797 145 HD1 HIS 23 HD1 HIS 23 11.407 -2.669 -2.472 146 HD2 HIS 23 HD2 HIS 23 8.019 -0.268 -2.501 147 HE1 HIS 23 HE1 HIS 23 11.485 -1.383 -4.625 148 H GLN 24 HN GLN 24 7.943 -0.095 2.240 149 HA GLN 24 HA GLN 24 7.733 -2.192 4.168 150 HB2 GLN 24 HB2 GLN 24 6.361 0.479 3.947 151 HB3 GLN 24 HB1 GLN 24 6.017 -0.645 5.248 152 HG2 GLN 24 HG2 GLN 24 8.746 0.470 4.650 153 HG3 GLN 24 HG1 GLN 24 7.633 1.142 5.844 154 HE21 GLN 24 1HE2 GLN 24 9.840 -1.434 5.121 155 HE22 GLN 24 2HE2 GLN 24 9.769 -2.168 6.684 156 H CYS 25 HN CYS 25 5.768 -1.012 1.602 157 HA CYS 25 HA CYS 25 4.000 -1.821 0.462 158 HB2 CYS 25 HB2 CYS 25 4.438 -4.332 2.059 159 HB3 CYS 25 HB1 CYS 25 3.471 -4.209 0.588 160 H PHE 26 HN PHE 26 1.682 -2.687 0.680 161 HA PHE 26 HA PHE 26 0.579 -1.727 3.160 162 HB2 PHE 26 HB2 PHE 26 -0.611 -2.549 0.496 163 HB3 PHE 26 HB1 PHE 26 -1.614 -2.220 1.904 164 HD1 PHE 26 HD1 PHE 26 -1.920 -0.012 2.708 165 HD2 PHE 26 HD2 PHE 26 0.615 -0.743 -0.614 166 HE1 PHE 26 HE1 PHE 26 -1.904 2.399 2.194 167 HE2 PHE 26 HE2 PHE 26 0.637 1.660 -1.142 168 HZ PHE 26 HZ PHE 26 -0.619 3.235 0.264 169 HA PRO 27 HA PRO 27 0.063 -5.721 4.997 170 HB2 PRO 27 HB2 PRO 27 -2.853 -5.166 5.218 171 HB3 PRO 27 HB1 PRO 27 -1.709 -5.617 6.489 172 HG2 PRO 27 HG2 PRO 27 -2.596 -3.127 6.323 173 HG3 PRO 27 HG1 PRO 27 -0.895 -3.457 6.690 174 HD2 PRO 27 HD2 PRO 27 -2.131 -2.565 4.125 175 HD3 PRO 27 HD1 PRO 27 -0.601 -2.066 4.880 176 H ASP 28 HN ASP 28 -2.859 -4.985 3.164 177 HA ASP 28 HA ASP 28 -2.345 -7.338 1.490 178 HB2 ASP 28 HB2 ASP 28 -4.209 -7.903 3.002 179 HB3 ASP 28 HB1 ASP 28 -5.081 -6.469 2.464 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -5.361 -5.769 1.698 2 HA2 GLY 1 HA2 GLY 1 -3.781 -4.141 -0.133 3 HA3 GLY 1 HA1 GLY 1 -5.226 -4.962 -0.722 4 H PHE 2 HN PHE 2 -4.257 -2.084 0.107 5 HA PHE 2 HA PHE 2 -6.359 -1.394 1.933 6 HB2 PHE 2 HB2 PHE 2 -5.384 0.955 1.696 7 HB3 PHE 2 HB1 PHE 2 -4.372 -0.265 2.448 8 HD1 PHE 2 HD1 PHE 2 -2.266 -0.810 1.546 9 HD2 PHE 2 HD2 PHE 2 -4.919 1.645 -0.687 10 HE1 PHE 2 HE1 PHE 2 -0.452 -0.264 -0.017 11 HE2 PHE 2 HE2 PHE 2 -3.101 2.196 -2.239 12 HZ PHE 2 HZ PHE 2 -0.862 1.244 -1.898 13 H CYS 3 HN CYS 3 -8.222 -0.497 1.512 14 HA CYS 3 HA CYS 3 -8.651 0.576 -1.154 15 HB2 CYS 3 HB2 CYS 3 -10.580 -1.179 0.391 16 HB3 CYS 3 HB1 CYS 3 -10.894 -0.435 -1.175 17 H TRP 4 HN TRP 4 -9.499 2.482 -1.182 18 HA TRP 4 HA TRP 4 -10.571 3.656 1.294 19 HB2 TRP 4 HB2 TRP 4 -9.494 5.126 -1.131 20 HB3 TRP 4 HB1 TRP 4 -9.843 5.774 0.464 21 HD1 TRP 4 HD1 TRP 4 -8.162 4.358 2.450 22 HE1 TRP 4 HE1 TRP 4 -5.588 4.193 2.267 23 HE3 TRP 4 3HE TRP 4 -7.662 5.230 -2.520 24 HZ2 TRP 4 HZ2 TRP 4 -3.625 4.404 0.269 25 HZ3 TRP 4 HZ3 TRP 4 -5.395 5.241 -3.517 26 HH2 TRP 4 2HH TRP 4 -3.424 4.839 -2.141 27 H HIS 5 HN HIS 5 -11.604 5.887 -0.360 28 HA HIS 5 HA HIS 5 -13.999 4.526 -1.286 29 HB2 HIS 5 HB2 HIS 5 -13.411 7.479 -0.893 30 HB3 HIS 5 HB1 HIS 5 -14.944 6.843 -1.466 31 HD1 HIS 5 HD1 HIS 5 -16.635 6.229 0.334 32 HD2 HIS 5 HD2 HIS 5 -12.782 6.660 1.833 33 HE1 HIS 5 HE1 HIS 5 -16.834 6.102 2.839 34 H HIS 6 HN HIS 6 -14.315 4.078 -3.356 35 HA HIS 6 HA HIS 6 -14.180 4.014 -5.602 36 HB2 HIS 6 HB2 HIS 6 -13.281 6.891 -5.325 37 HB3 HIS 6 HB1 HIS 6 -13.687 6.121 -6.851 38 HD1 HIS 6 HD1 HIS 6 -16.186 5.936 -7.422 39 HD2 HIS 6 HD2 HIS 6 -15.452 7.426 -3.627 40 HE1 HIS 6 HE1 HIS 6 -18.383 6.835 -6.594 41 H SER 7 HN SER 7 -11.857 3.345 -3.940 42 HA SER 7 HA SER 7 -9.964 2.910 -6.049 43 HB2 SER 7 HB2 SER 7 -9.168 4.526 -3.642 44 HB3 SER 7 HB1 SER 7 -8.051 3.944 -4.872 45 HG SER 7 HG SER 7 -10.032 5.250 -6.051 46 H CYS 8 HN CYS 8 -9.684 0.812 -5.687 47 HA CYS 8 HA CYS 8 -9.182 -0.093 -2.949 48 HB2 CYS 8 HB2 CYS 8 -11.523 -0.581 -3.580 49 HB3 CYS 8 HB1 CYS 8 -10.947 -1.491 -4.963 50 H VAL 9 HN VAL 9 -7.199 -0.898 -2.905 51 HA VAL 9 HA VAL 9 -6.062 -1.931 -5.364 52 HB VAL 9 HB VAL 9 -4.732 -1.249 -2.718 53 HG11 VAL 9 HG11 VAL 9 -3.510 -1.769 -5.422 54 HG12 VAL 9 HG12 VAL 9 -3.507 -2.879 -4.050 55 HG13 VAL 9 3HG1 VAL 9 -2.653 -1.335 -3.936 56 HG21 VAL 9 HG21 VAL 9 -5.679 0.741 -3.756 57 HG22 VAL 9 HG22 VAL 9 -4.855 0.357 -5.269 58 HG23 VAL 9 HG23 VAL 9 -3.918 0.770 -3.834 59 HA PRO 10 HA PRO 10 -6.826 -6.142 -3.932 60 HB2 PRO 10 HB2 PRO 10 -4.450 -6.750 -5.563 61 HB3 PRO 10 HB1 PRO 10 -6.067 -7.453 -5.646 62 HG2 PRO 10 HG2 PRO 10 -5.231 -5.730 -7.514 63 HG3 PRO 10 HG1 PRO 10 -6.907 -5.728 -6.944 64 HD2 PRO 10 HD2 PRO 10 -4.691 -3.832 -6.314 65 HD3 PRO 10 HD1 PRO 10 -6.432 -3.538 -6.506 66 H SER 11 HN SER 11 -5.737 -7.870 -2.854 67 HA SER 11 HA SER 11 -3.993 -7.058 -0.826 68 HB2 SER 11 HB2 SER 11 -5.665 -8.904 -0.630 69 HB3 SER 11 HB1 SER 11 -4.689 -9.871 -1.729 70 HG SER 11 HG SER 11 -4.140 -10.483 0.260 71 H GLY 12 HN GLY 12 -1.875 -7.124 -0.671 72 HA2 GLY 12 HA2 GLY 12 0.324 -7.912 -1.144 73 HA3 GLY 12 HA1 GLY 12 -0.276 -8.558 -2.674 74 H THR 13 HN THR 13 -0.486 -5.439 -1.121 75 HA THR 13 HA THR 13 0.331 -4.217 -3.624 76 HB THR 13 HB THR 13 -1.821 -3.437 -2.964 77 HG1 THR 13 HG1 THR 13 -0.437 -1.816 -3.701 78 HG21 THR 13 HG21 THR 13 -1.724 -4.143 -0.688 79 HG22 THR 13 HG22 THR 13 -2.233 -2.436 -0.769 80 HG23 THR 13 HG23 THR 13 -0.565 -2.870 -0.322 81 H CYS 14 HN CYS 14 2.044 -2.793 -3.676 82 HA CYS 14 HA CYS 14 3.488 -2.508 -1.159 83 HB2 CYS 14 HB2 CYS 14 4.622 -2.636 -3.958 84 HB3 CYS 14 HB1 CYS 14 5.547 -2.384 -2.478 85 H ALA 15 HN ALA 15 2.912 -0.621 -0.403 86 HA ALA 15 HA ALA 15 2.751 1.674 -2.126 87 HB1 ALA 15 HB1 ALA 15 2.624 1.488 0.881 88 HB2 ALA 15 HB2 ALA 15 1.223 1.430 -0.194 89 HB3 ALA 15 HB3 ALA 15 2.199 2.897 -0.090 90 H ASP 16 HN ASP 16 4.235 3.271 -2.234 91 HA ASP 16 HA ASP 16 6.865 2.551 -1.217 92 HB2 ASP 16 HB2 ASP 16 7.800 3.990 -2.916 93 HB3 ASP 16 HB1 ASP 16 6.617 2.937 -3.672 94 H PHE 17 HN PHE 17 7.908 3.717 0.156 95 HA PHE 17 HA PHE 17 6.862 6.309 1.035 96 HB2 PHE 17 HB2 PHE 17 7.798 4.001 2.760 97 HB3 PHE 17 HB1 PHE 17 7.400 5.600 3.361 98 HD1 PHE 17 HD1 PHE 17 5.020 6.417 2.954 99 HD2 PHE 17 HD2 PHE 17 6.191 2.349 2.635 100 HE1 PHE 17 HE1 PHE 17 2.705 5.744 3.263 101 HE2 PHE 17 HE2 PHE 17 3.865 1.646 2.943 102 HZ PHE 17 HZ PHE 17 2.106 3.332 3.256 103 HA PRO 18 HA PRO 18 11.193 7.602 0.993 104 HB2 PRO 18 HB2 PRO 18 10.900 8.363 3.863 105 HB3 PRO 18 HB1 PRO 18 11.454 9.344 2.503 106 HG2 PRO 18 HG2 PRO 18 9.035 9.730 3.526 107 HG3 PRO 18 HG1 PRO 18 9.292 9.790 1.772 108 HD2 PRO 18 HD2 PRO 18 8.099 7.605 3.434 109 HD3 PRO 18 HD1 PRO 18 7.612 8.193 1.839 110 H TRP 19 HN TRP 19 13.258 6.976 1.895 111 HA TRP 19 HA TRP 19 13.168 4.332 2.875 112 HB2 TRP 19 HB2 TRP 19 15.295 6.095 1.844 113 HB3 TRP 19 HB1 TRP 19 15.815 4.802 2.933 114 HD1 TRP 19 HD1 TRP 19 13.652 5.180 -0.269 115 HE1 TRP 19 HE1 TRP 19 13.877 2.999 -1.610 116 HE3 TRP 19 3HE TRP 19 16.650 2.543 2.925 117 HZ2 TRP 19 HZ2 TRP 19 15.124 0.530 -1.345 118 HZ3 TRP 19 HZ3 TRP 19 17.309 0.275 2.298 119 HH2 TRP 19 2HH TRP 19 16.564 -0.714 0.200 120 HA PRO 20 HA PRO 20 14.818 2.982 3.648 121 HB2 PRO 20 HB2 PRO 20 15.252 1.216 5.538 122 HB3 PRO 20 HB1 PRO 20 16.344 2.601 5.374 123 HG2 PRO 20 HG2 PRO 20 14.159 2.143 7.359 124 HG3 PRO 20 HG1 PRO 20 15.751 2.877 7.599 125 HD2 PRO 20 HD2 PRO 20 13.334 4.261 7.188 126 HD3 PRO 20 HD1 PRO 20 14.962 4.954 7.065 127 H LEU 21 HN LEU 21 11.998 3.720 4.579 128 HA LEU 21 HA LEU 21 10.682 1.228 4.892 129 HB2 LEU 21 HB2 LEU 21 9.821 3.893 3.924 130 HB3 LEU 21 HB1 LEU 21 8.666 2.586 4.219 131 HG LEU 21 HG LEU 21 10.400 3.984 6.279 132 HD11 LEU 21 HD11 LEU 21 8.286 4.874 7.127 133 HD12 LEU 21 HD12 LEU 21 7.430 4.111 5.784 134 HD13 LEU 21 HD13 LEU 21 8.596 5.397 5.471 135 HD21 LEU 21 HD21 LEU 21 10.025 1.657 6.883 136 HD22 LEU 21 HD22 LEU 21 8.294 1.852 6.608 137 HD23 LEU 21 HD23 LEU 21 9.083 2.730 7.918 138 H GLY 22 HN GLY 22 10.691 3.510 2.139 139 HA2 GLY 22 HA2 GLY 22 10.630 3.147 -0.122 140 HA3 GLY 22 HA1 GLY 22 11.396 1.590 0.197 141 H HIS 23 HN HIS 23 10.155 0.399 -1.194 142 HA HIS 23 HA HIS 23 7.309 0.443 -0.829 143 HB2 HIS 23 HB2 HIS 23 7.222 -1.380 -2.548 144 HB3 HIS 23 HB1 HIS 23 8.031 0.067 -3.108 145 HD1 HIS 23 HD1 HIS 23 10.528 -0.200 -3.800 146 HD2 HIS 23 HD2 HIS 23 8.782 -3.596 -2.229 147 HE1 HIS 23 HE1 HIS 23 12.121 -2.079 -4.316 148 H GLN 24 HN GLN 24 6.870 0.009 1.097 149 HA GLN 24 HA GLN 24 7.975 -1.937 2.763 150 HB2 GLN 24 HB2 GLN 24 5.359 -0.496 2.862 151 HB3 GLN 24 HB1 GLN 24 5.760 -1.721 4.055 152 HG2 GLN 24 HG2 GLN 24 7.440 0.701 3.477 153 HG3 GLN 24 HG1 GLN 24 6.252 0.594 4.779 154 HE21 GLN 24 1HE2 GLN 24 6.668 -0.778 6.516 155 HE22 GLN 24 2HE2 GLN 24 8.240 -1.356 6.875 156 H CYS 25 HN CYS 25 5.199 -2.193 0.678 157 HA CYS 25 HA CYS 25 3.904 -3.912 -0.007 158 HB2 CYS 25 HB2 CYS 25 6.218 -5.619 0.922 159 HB3 CYS 25 HB1 CYS 25 4.859 -6.216 -0.036 160 H PHE 26 HN PHE 26 2.116 -4.473 0.765 161 HA PHE 26 HA PHE 26 1.961 -5.005 3.620 162 HB2 PHE 26 HB2 PHE 26 -0.074 -3.939 1.677 163 HB3 PHE 26 HB1 PHE 26 -0.448 -4.381 3.339 164 HD1 PHE 26 HD1 PHE 26 1.035 -3.318 5.127 165 HD2 PHE 26 HD2 PHE 26 0.568 -1.783 1.212 166 HE1 PHE 26 HE1 PHE 26 1.748 -1.064 5.924 167 HE2 PHE 26 HE2 PHE 26 1.270 0.445 1.975 168 HZ PHE 26 HZ PHE 26 1.864 0.803 4.335 169 HA PRO 27 HA PRO 27 0.609 -9.113 2.835 170 HB2 PRO 27 HB2 PRO 27 -0.609 -9.652 5.159 171 HB3 PRO 27 HB1 PRO 27 1.141 -9.333 5.077 172 HG2 PRO 27 HG2 PRO 27 -1.068 -7.454 5.811 173 HG3 PRO 27 HG1 PRO 27 0.433 -7.801 6.693 174 HD2 PRO 27 HD2 PRO 27 0.208 -5.671 5.061 175 HD3 PRO 27 HD1 PRO 27 1.728 -6.572 5.230 176 H ASP 28 HN ASP 28 -1.434 -6.517 2.952 177 HA ASP 28 HA ASP 28 -3.725 -8.112 2.073 178 HB2 ASP 28 HB2 ASP 28 -3.848 -7.316 4.560 179 HB3 ASP 28 HB1 ASP 28 -4.069 -5.708 3.879 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -6.035 -5.729 1.587 2 HA2 GLY 1 HA2 GLY 1 -5.280 -4.097 -0.674 3 HA3 GLY 1 HA1 GLY 1 -6.864 -4.796 -0.349 4 H PHE 2 HN PHE 2 -5.632 -1.998 -0.803 5 HA PHE 2 HA PHE 2 -6.831 -0.761 1.542 6 HB2 PHE 2 HB2 PHE 2 -5.688 1.342 0.885 7 HB3 PHE 2 HB1 PHE 2 -4.577 0.022 1.183 8 HD1 PHE 2 HD1 PHE 2 -5.883 2.379 -1.286 9 HD2 PHE 2 HD2 PHE 2 -3.331 -0.996 -0.716 10 HE1 PHE 2 HE1 PHE 2 -4.774 2.851 -3.403 11 HE2 PHE 2 HE2 PHE 2 -2.240 -0.518 -2.836 12 HZ PHE 2 HZ PHE 2 -2.947 1.406 -4.191 13 H CYS 3 HN CYS 3 -8.582 0.438 1.464 14 HA CYS 3 HA CYS 3 -9.927 0.662 -1.142 15 HB2 CYS 3 HB2 CYS 3 -11.102 0.678 1.645 16 HB3 CYS 3 HB1 CYS 3 -12.006 0.713 0.136 17 H TRP 4 HN TRP 4 -10.126 2.661 -1.945 18 HA TRP 4 HA TRP 4 -9.375 4.904 -0.310 19 HB2 TRP 4 HB2 TRP 4 -10.568 4.835 -3.093 20 HB3 TRP 4 HB1 TRP 4 -10.010 6.292 -2.287 21 HD1 TRP 4 HD1 TRP 4 -7.191 5.782 -1.411 22 HE1 TRP 4 HE1 TRP 4 -5.310 5.117 -3.037 23 HE3 TRP 4 3HE TRP 4 -10.041 3.906 -5.212 24 HZ2 TRP 4 HZ2 TRP 4 -5.072 3.969 -5.606 25 HZ3 TRP 4 HZ3 TRP 4 -8.911 3.056 -7.222 26 HH2 TRP 4 2HH TRP 4 -6.481 3.088 -7.413 27 H HIS 5 HN HIS 5 -12.311 4.481 -2.243 28 HA HIS 5 HA HIS 5 -13.850 5.251 0.126 29 HB2 HIS 5 HB2 HIS 5 -14.449 6.056 -2.751 30 HB3 HIS 5 HB1 HIS 5 -15.497 6.368 -1.379 31 HD1 HIS 5 HD1 HIS 5 -14.932 8.456 0.072 32 HD2 HIS 5 HD2 HIS 5 -12.098 7.615 -2.840 33 HE1 HIS 5 HE1 HIS 5 -13.409 10.444 -0.014 34 H HIS 6 HN HIS 6 -14.406 4.001 -3.133 35 HA HIS 6 HA HIS 6 -15.938 1.809 -1.902 36 HB2 HIS 6 HB2 HIS 6 -17.276 1.670 -3.990 37 HB3 HIS 6 HB1 HIS 6 -17.451 3.213 -3.172 38 HD1 HIS 6 HD1 HIS 6 -16.313 1.693 -6.380 39 HD2 HIS 6 HD2 HIS 6 -16.295 5.395 -4.512 40 HE1 HIS 6 HE1 HIS 6 -15.745 3.376 -8.171 41 H SER 7 HN SER 7 -13.502 2.612 -4.293 42 HA SER 7 HA SER 7 -13.298 -0.135 -5.063 43 HB2 SER 7 HB2 SER 7 -11.415 0.907 -6.514 44 HB3 SER 7 HB1 SER 7 -13.092 1.295 -6.898 45 HG SER 7 HG SER 7 -11.665 3.126 -6.820 46 H CYS 8 HN CYS 8 -11.731 -1.497 -4.498 47 HA CYS 8 HA CYS 8 -9.764 -0.594 -2.535 48 HB2 CYS 8 HB2 CYS 8 -11.084 -3.301 -2.803 49 HB3 CYS 8 HB1 CYS 8 -9.920 -2.823 -1.573 50 H VAL 9 HN VAL 9 -7.727 -1.056 -2.956 51 HA VAL 9 HA VAL 9 -7.142 -2.515 -5.423 52 HB VAL 9 HB VAL 9 -5.232 -0.834 -3.787 53 HG11 VAL 9 HG11 VAL 9 -5.172 -1.683 -6.673 54 HG12 VAL 9 HG12 VAL 9 -4.180 -2.322 -5.359 55 HG13 VAL 9 3HG1 VAL 9 -3.984 -0.649 -5.876 56 HG21 VAL 9 HG21 VAL 9 -7.008 0.109 -6.039 57 HG22 VAL 9 HG22 VAL 9 -5.652 1.014 -5.359 58 HG23 VAL 9 HG23 VAL 9 -7.037 0.636 -4.349 59 HA PRO 10 HA PRO 10 -6.500 -5.801 -2.521 60 HB2 PRO 10 HB2 PRO 10 -5.361 -7.563 -4.232 61 HB3 PRO 10 HB1 PRO 10 -7.111 -7.297 -4.103 62 HG2 PRO 10 HG2 PRO 10 -5.150 -6.253 -6.100 63 HG3 PRO 10 HG1 PRO 10 -6.825 -6.776 -6.346 64 HD2 PRO 10 HD2 PRO 10 -6.119 -4.180 -6.239 65 HD3 PRO 10 HD1 PRO 10 -7.689 -4.751 -5.648 66 H SER 11 HN SER 11 -4.932 -7.250 -1.696 67 HA SER 11 HA SER 11 -2.466 -6.178 -1.028 68 HB2 SER 11 HB2 SER 11 -3.612 -7.951 0.273 69 HB3 SER 11 HB1 SER 11 -3.358 -9.075 -1.054 70 HG SER 11 HG SER 11 -1.639 -8.258 0.910 71 H GLY 12 HN GLY 12 -0.474 -6.513 -1.820 72 HA2 GLY 12 HA2 GLY 12 1.064 -7.736 -3.273 73 HA3 GLY 12 HA1 GLY 12 -0.255 -7.863 -4.430 74 H THR 13 HN THR 13 -1.039 -5.079 -3.655 75 HA THR 13 HA THR 13 0.384 -3.649 -5.617 76 HB THR 13 HB THR 13 -1.262 -2.587 -3.326 77 HG1 THR 13 HG1 THR 13 -2.780 -3.756 -4.295 78 HG21 THR 13 HG21 THR 13 -1.772 -0.746 -4.882 79 HG22 THR 13 HG22 THR 13 -0.722 -1.480 -6.095 80 HG23 THR 13 HG23 THR 13 -0.038 -0.868 -4.586 81 H CYS 14 HN CYS 14 2.379 -2.879 -5.358 82 HA CYS 14 HA CYS 14 3.329 -2.546 -2.643 83 HB2 CYS 14 HB2 CYS 14 4.886 -3.137 -5.150 84 HB3 CYS 14 HB1 CYS 14 5.626 -2.766 -3.593 85 H ALA 15 HN ALA 15 4.745 -0.821 -2.126 86 HA ALA 15 HA ALA 15 4.789 1.437 -3.892 87 HB1 ALA 15 HB1 ALA 15 3.884 2.905 -2.119 88 HB2 ALA 15 HB2 ALA 15 3.518 1.481 -1.148 89 HB3 ALA 15 HB3 ALA 15 2.688 1.739 -2.683 90 H ASP 16 HN ASP 16 6.510 2.700 -3.407 91 HA ASP 16 HA ASP 16 8.417 1.587 -1.512 92 HB2 ASP 16 HB2 ASP 16 10.096 2.882 -2.627 93 HB3 ASP 16 HB1 ASP 16 9.114 2.145 -3.883 94 H PHE 17 HN PHE 17 9.178 2.734 0.192 95 HA PHE 17 HA PHE 17 7.907 5.295 0.742 96 HB2 PHE 17 HB2 PHE 17 8.295 2.925 2.580 97 HB3 PHE 17 HB1 PHE 17 7.931 4.540 3.172 98 HD1 PHE 17 HD1 PHE 17 5.761 5.522 2.816 99 HD2 PHE 17 HD2 PHE 17 6.630 1.606 1.447 100 HE1 PHE 17 HE1 PHE 17 3.363 5.112 2.518 101 HE2 PHE 17 HE2 PHE 17 4.229 1.166 1.144 102 HZ PHE 17 HZ PHE 17 2.583 2.924 1.677 103 HA PRO 18 HA PRO 18 11.972 6.860 1.637 104 HB2 PRO 18 HB2 PRO 18 10.942 7.819 4.256 105 HB3 PRO 18 HB1 PRO 18 11.715 8.733 2.958 106 HG2 PRO 18 HG2 PRO 18 9.103 8.950 3.354 107 HG3 PRO 18 HG1 PRO 18 9.763 8.867 1.710 108 HD2 PRO 18 HD2 PRO 18 8.430 6.730 3.321 109 HD3 PRO 18 HD1 PRO 18 8.238 7.141 1.604 110 H TRP 19 HN TRP 19 13.796 6.507 2.984 111 HA TRP 19 HA TRP 19 13.687 4.039 4.330 112 HB2 TRP 19 HB2 TRP 19 15.864 5.895 3.575 113 HB3 TRP 19 HB1 TRP 19 16.188 4.794 4.921 114 HD1 TRP 19 HD1 TRP 19 14.977 4.628 1.245 115 HE1 TRP 19 HE1 TRP 19 15.608 2.305 0.327 116 HE3 TRP 19 3HE TRP 19 16.993 2.567 5.478 117 HZ2 TRP 19 HZ2 TRP 19 16.777 -0.041 1.261 118 HZ3 TRP 19 HZ3 TRP 19 17.840 0.273 5.370 119 HH2 TRP 19 2HH TRP 19 17.741 -1.007 3.300 120 HA PRO 20 HA PRO 20 15.040 2.961 5.643 121 HB2 PRO 20 HB2 PRO 20 15.097 1.576 7.897 122 HB3 PRO 20 HB1 PRO 20 16.195 2.941 7.662 123 HG2 PRO 20 HG2 PRO 20 13.757 2.752 9.346 124 HG3 PRO 20 HG1 PRO 20 15.216 3.724 9.592 125 HD2 PRO 20 HD2 PRO 20 12.723 4.555 8.466 126 HD3 PRO 20 HD1 PRO 20 14.212 5.514 8.601 127 H LEU 21 HN LEU 21 12.034 3.603 5.753 128 HA LEU 21 HA LEU 21 10.774 1.097 6.232 129 HB2 LEU 21 HB2 LEU 21 10.114 3.476 4.575 130 HB3 LEU 21 HB1 LEU 21 8.989 2.128 4.740 131 HG LEU 21 HG LEU 21 9.973 3.817 7.057 132 HD11 LEU 21 HD11 LEU 21 7.787 4.908 6.940 133 HD12 LEU 21 HD12 LEU 21 7.416 4.001 5.470 134 HD13 LEU 21 HD13 LEU 21 8.721 5.188 5.472 135 HD21 LEU 21 HD21 LEU 21 8.063 2.830 8.207 136 HD22 LEU 21 HD22 LEU 21 9.163 1.574 7.633 137 HD23 LEU 21 HD23 LEU 21 7.667 1.905 6.761 138 H GLY 22 HN GLY 22 11.434 2.819 3.185 139 HA2 GLY 22 HA2 GLY 22 12.331 2.058 1.225 140 HA3 GLY 22 HA1 GLY 22 12.650 0.511 1.997 141 H HIS 23 HN HIS 23 11.826 -0.836 0.462 142 HA HIS 23 HA HIS 23 9.223 -0.400 -0.676 143 HB2 HIS 23 HB2 HIS 23 11.027 -2.838 -0.822 144 HB3 HIS 23 HB1 HIS 23 9.513 -2.667 -1.695 145 HD1 HIS 23 HD1 HIS 23 9.638 -1.465 -3.961 146 HD2 HIS 23 HD2 HIS 23 13.140 -1.236 -1.743 147 HE1 HIS 23 HE1 HIS 23 11.374 -0.488 -5.494 148 H GLN 24 HN GLN 24 7.948 -0.277 1.111 149 HA GLN 24 HA GLN 24 7.769 -2.442 2.985 150 HB2 GLN 24 HB2 GLN 24 6.061 0.002 2.567 151 HB3 GLN 24 HB1 GLN 24 5.745 -1.201 3.800 152 HG2 GLN 24 HG2 GLN 24 8.319 0.318 3.581 153 HG3 GLN 24 HG1 GLN 24 6.965 0.794 4.611 154 HE21 GLN 24 1HE2 GLN 24 6.413 -0.519 6.339 155 HE22 GLN 24 2HE2 GLN 24 7.528 -1.630 7.033 156 H CYS 25 HN CYS 25 5.839 -1.216 0.332 157 HA CYS 25 HA CYS 25 4.207 -2.070 -0.939 158 HB2 CYS 25 HB2 CYS 25 5.776 -4.028 -1.178 159 HB3 CYS 25 HB1 CYS 25 4.989 -4.798 0.191 160 H PHE 26 HN PHE 26 1.917 -3.025 -0.800 161 HA PHE 26 HA PHE 26 0.961 -2.361 1.822 162 HB2 PHE 26 HB2 PHE 26 -0.461 -2.770 -0.796 163 HB3 PHE 26 HB1 PHE 26 -1.325 -2.562 0.726 164 HD1 PHE 26 HD1 PHE 26 0.374 -0.910 -1.966 165 HD2 PHE 26 HD2 PHE 26 -0.930 -0.494 2.054 166 HE1 PHE 26 HE1 PHE 26 0.568 1.535 -2.167 167 HE2 PHE 26 HE2 PHE 26 -0.740 1.963 1.865 168 HZ PHE 26 HZ PHE 26 0.009 2.974 -0.249 169 HA PRO 27 HA PRO 27 0.817 -6.587 3.142 170 HB2 PRO 27 HB2 PRO 27 -1.040 -5.367 5.103 171 HB3 PRO 27 HB1 PRO 27 0.377 -6.391 5.400 172 HG2 PRO 27 HG2 PRO 27 0.467 -3.788 5.880 173 HG3 PRO 27 HG1 PRO 27 1.846 -4.603 5.123 174 HD2 PRO 27 HD2 PRO 27 -0.230 -2.860 3.880 175 HD3 PRO 27 HD1 PRO 27 1.511 -2.983 3.561 176 H ASP 28 HN ASP 28 -2.152 -4.601 3.063 177 HA ASP 28 HA ASP 28 -3.576 -6.954 2.065 178 HB2 ASP 28 HB2 ASP 28 -4.031 -6.554 4.532 179 HB3 ASP 28 HB1 ASP 28 -4.731 -5.003 4.091 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -4.997 -4.680 2.530 2 HA2 GLY 1 HA2 GLY 1 -3.791 -3.448 0.208 3 HA3 GLY 1 HA1 GLY 1 -5.132 -4.531 -0.135 4 H PHE 2 HN PHE 2 -4.260 -1.446 0.467 5 HA PHE 2 HA PHE 2 -6.544 -0.665 1.897 6 HB2 PHE 2 HB2 PHE 2 -5.826 1.708 1.179 7 HB3 PHE 2 HB1 PHE 2 -4.786 0.805 2.261 8 HD1 PHE 2 HD1 PHE 2 -2.632 0.092 1.574 9 HD2 PHE 2 HD2 PHE 2 -5.185 2.118 -1.126 10 HE1 PHE 2 HE1 PHE 2 -0.710 0.491 0.089 11 HE2 PHE 2 HE2 PHE 2 -3.274 2.529 -2.632 12 HZ PHE 2 HZ PHE 2 -1.030 1.707 -2.015 13 H CYS 3 HN CYS 3 -8.404 -0.032 1.327 14 HA CYS 3 HA CYS 3 -9.125 0.588 -1.375 15 HB2 CYS 3 HB2 CYS 3 -9.174 -1.825 -1.547 16 HB3 CYS 3 HB1 CYS 3 -10.052 -1.974 -0.035 17 H TRP 4 HN TRP 4 -10.963 1.837 -1.384 18 HA TRP 4 HA TRP 4 -12.335 2.069 1.181 19 HB2 TRP 4 HB2 TRP 4 -11.613 4.329 -0.704 20 HB3 TRP 4 HB1 TRP 4 -12.604 4.490 0.748 21 HD1 TRP 4 HD1 TRP 4 -11.344 4.511 3.064 22 HE1 TRP 4 HE1 TRP 4 -8.881 4.829 3.708 23 HE3 TRP 4 3HE TRP 4 -9.229 3.787 -1.524 24 HZ2 TRP 4 HZ2 TRP 4 -6.352 4.756 2.419 25 HZ3 TRP 4 HZ3 TRP 4 -6.784 3.927 -1.739 26 HH2 TRP 4 2HH TRP 4 -5.377 4.403 0.196 27 H HIS 5 HN HIS 5 -13.305 4.089 -1.436 28 HA HIS 5 HA HIS 5 -15.404 2.175 -2.108 29 HB2 HIS 5 HB2 HIS 5 -15.796 5.125 -1.578 30 HB3 HIS 5 HB1 HIS 5 -16.991 4.123 -2.394 31 HD1 HIS 5 HD1 HIS 5 -18.390 2.507 -0.911 32 HD2 HIS 5 HD2 HIS 5 -15.483 4.641 1.142 33 HE1 HIS 5 HE1 HIS 5 -18.828 2.097 1.534 34 H HIS 6 HN HIS 6 -14.079 5.271 -3.211 35 HA HIS 6 HA HIS 6 -14.667 4.553 -5.942 36 HB2 HIS 6 HB2 HIS 6 -13.210 6.980 -4.845 37 HB3 HIS 6 HB1 HIS 6 -13.732 6.763 -6.509 38 HD1 HIS 6 HD1 HIS 6 -14.800 8.242 -3.388 39 HD2 HIS 6 HD2 HIS 6 -16.677 6.571 -6.693 40 HE1 HIS 6 HE1 HIS 6 -17.174 9.049 -3.321 41 H SER 7 HN SER 7 -11.863 5.075 -3.893 42 HA SER 7 HA SER 7 -10.092 4.029 -5.959 43 HB2 SER 7 HB2 SER 7 -9.461 5.100 -3.199 44 HB3 SER 7 HB1 SER 7 -8.307 4.778 -4.495 45 HG SER 7 HG SER 7 -10.176 6.369 -5.468 46 H CYS 8 HN CYS 8 -9.523 1.891 -5.894 47 HA CYS 8 HA CYS 8 -9.539 0.559 -3.331 48 HB2 CYS 8 HB2 CYS 8 -11.803 0.234 -4.339 49 HB3 CYS 8 HB1 CYS 8 -11.029 -0.566 -5.704 50 H VAL 9 HN VAL 9 -7.679 -0.517 -3.145 51 HA VAL 9 HA VAL 9 -6.430 -1.462 -5.598 52 HB VAL 9 HB VAL 9 -5.080 -0.759 -2.956 53 HG11 VAL 9 HG11 VAL 9 -3.847 -2.367 -4.281 54 HG12 VAL 9 HG12 VAL 9 -3.010 -0.812 -4.227 55 HG13 VAL 9 3HG1 VAL 9 -3.900 -1.288 -5.678 56 HG21 VAL 9 HG21 VAL 9 -5.252 0.877 -5.480 57 HG22 VAL 9 HG22 VAL 9 -4.238 1.261 -4.090 58 HG23 VAL 9 HG23 VAL 9 -5.997 1.265 -3.930 59 HA PRO 10 HA PRO 10 -7.375 -5.575 -4.049 60 HB2 PRO 10 HB2 PRO 10 -4.811 -6.317 -5.362 61 HB3 PRO 10 HB1 PRO 10 -6.421 -7.015 -5.565 62 HG2 PRO 10 HG2 PRO 10 -5.422 -5.443 -7.436 63 HG3 PRO 10 HG1 PRO 10 -7.127 -5.313 -6.971 64 HD2 PRO 10 HD2 PRO 10 -4.833 -3.536 -6.249 65 HD3 PRO 10 HD1 PRO 10 -6.509 -3.126 -6.672 66 H SER 11 HN SER 11 -6.674 -7.181 -2.636 67 HA SER 11 HA SER 11 -5.125 -6.420 -0.425 68 HB2 SER 11 HB2 SER 11 -6.985 -8.113 -0.418 69 HB3 SER 11 HB1 SER 11 -5.925 -9.222 -1.278 70 HG SER 11 HG SER 11 -5.602 -8.185 1.353 71 H GLY 12 HN GLY 12 -3.000 -6.331 -0.217 72 HA2 GLY 12 HA2 GLY 12 -0.866 -7.360 -0.316 73 HA3 GLY 12 HA1 GLY 12 -1.323 -8.064 -1.875 74 H THR 13 HN THR 13 -0.419 -5.142 -0.220 75 HA THR 13 HA THR 13 -0.362 -3.808 -2.793 76 HB THR 13 HB THR 13 -0.396 -1.681 -1.353 77 HG1 THR 13 HG1 THR 13 -1.468 -3.578 0.488 78 HG21 THR 13 HG21 THR 13 -2.794 -3.492 -1.574 79 HG22 THR 13 HG22 THR 13 -2.228 -2.334 -2.778 80 HG23 THR 13 HG23 THR 13 -2.863 -1.762 -1.235 81 H CYS 14 HN CYS 14 1.535 -3.709 -3.600 82 HA CYS 14 HA CYS 14 3.827 -3.489 -1.897 83 HB2 CYS 14 HB2 CYS 14 3.781 -4.912 -3.984 84 HB3 CYS 14 HB1 CYS 14 3.701 -3.419 -4.913 85 H ALA 15 HN ALA 15 4.279 -1.608 -1.120 86 HA ALA 15 HA ALA 15 3.767 0.781 -2.729 87 HB1 ALA 15 HB1 ALA 15 1.984 0.524 -1.043 88 HB2 ALA 15 HB2 ALA 15 2.989 1.948 -0.755 89 HB3 ALA 15 HB3 ALA 15 3.223 0.503 0.219 90 H ASP 16 HN ASP 16 5.239 2.352 -2.544 91 HA ASP 16 HA ASP 16 7.668 1.727 -1.073 92 HB2 ASP 16 HB2 ASP 16 8.752 3.482 -2.335 93 HB3 ASP 16 HB1 ASP 16 7.843 2.498 -3.470 94 H PHE 17 HN PHE 17 8.503 3.114 0.382 95 HA PHE 17 HA PHE 17 6.767 5.193 1.468 96 HB2 PHE 17 HB2 PHE 17 8.211 2.962 2.921 97 HB3 PHE 17 HB1 PHE 17 7.537 4.363 3.739 98 HD1 PHE 17 HD1 PHE 17 6.804 1.182 2.098 99 HD2 PHE 17 HD2 PHE 17 5.141 4.659 3.887 100 HE1 PHE 17 HE1 PHE 17 4.648 0.048 2.280 101 HE2 PHE 17 HE2 PHE 17 2.989 3.540 4.069 102 HZ PHE 17 HZ PHE 17 2.721 1.222 3.269 103 HA PRO 18 HA PRO 18 10.658 7.652 1.764 104 HB2 PRO 18 HB2 PRO 18 10.126 7.724 4.690 105 HB3 PRO 18 HB1 PRO 18 10.471 9.062 3.586 106 HG2 PRO 18 HG2 PRO 18 8.013 8.720 4.474 107 HG3 PRO 18 HG1 PRO 18 8.283 9.109 2.765 108 HD2 PRO 18 HD2 PRO 18 7.605 6.487 4.026 109 HD3 PRO 18 HD1 PRO 18 7.026 7.181 2.497 110 H TRP 19 HN TRP 19 12.686 7.289 2.132 111 HA TRP 19 HA TRP 19 13.558 4.749 2.903 112 HB2 TRP 19 HB2 TRP 19 15.161 5.605 1.534 113 HB3 TRP 19 HB1 TRP 19 14.645 7.247 1.844 114 HD1 TRP 19 HD1 TRP 19 15.842 8.536 3.718 115 HE1 TRP 19 HE1 TRP 19 18.211 8.226 4.844 116 HE3 TRP 19 3HE TRP 19 16.822 3.809 2.188 117 HZ2 TRP 19 HZ2 TRP 19 20.158 6.209 4.996 118 HZ3 TRP 19 HZ3 TRP 19 18.935 2.741 2.840 119 HH2 TRP 19 2HH TRP 19 20.562 3.913 4.213 120 HA PRO 20 HA PRO 20 15.331 3.808 3.852 121 HB2 PRO 20 HB2 PRO 20 16.096 2.166 5.756 122 HB3 PRO 20 HB1 PRO 20 16.859 3.754 5.591 123 HG2 PRO 20 HG2 PRO 20 14.851 2.819 7.579 124 HG3 PRO 20 HG1 PRO 20 16.184 3.968 7.775 125 HD2 PRO 20 HD2 PRO 20 13.448 4.584 7.283 126 HD3 PRO 20 HD1 PRO 20 14.808 5.721 7.282 127 H LEU 21 HN LEU 21 12.358 3.820 4.732 128 HA LEU 21 HA LEU 21 11.789 1.037 4.945 129 HB2 LEU 21 HB2 LEU 21 10.252 3.454 4.251 130 HB3 LEU 21 HB1 LEU 21 9.452 1.875 4.322 131 HG LEU 21 HG LEU 21 10.766 3.364 6.622 132 HD11 LEU 21 HD11 LEU 21 8.654 4.362 5.919 133 HD12 LEU 21 HD12 LEU 21 8.491 3.574 7.488 134 HD13 LEU 21 HD13 LEU 21 7.863 2.790 6.039 135 HD21 LEU 21 HD21 LEU 21 9.275 0.743 6.573 136 HD22 LEU 21 HD22 LEU 21 9.792 1.590 8.026 137 HD23 LEU 21 HD23 LEU 21 10.995 0.954 6.905 138 H GLY 22 HN GLY 22 11.249 3.438 2.355 139 HA2 GLY 22 HA2 GLY 22 11.304 3.214 0.064 140 HA3 GLY 22 HA1 GLY 22 12.384 1.843 0.315 141 H HIS 23 HN HIS 23 11.515 0.349 -1.020 142 HA HIS 23 HA HIS 23 8.683 -0.059 -1.095 143 HB2 HIS 23 HB2 HIS 23 10.972 -1.499 -2.410 144 HB3 HIS 23 HB1 HIS 23 9.340 -2.152 -2.456 145 HD1 HIS 23 HD1 HIS 23 11.513 0.394 -4.101 146 HD2 HIS 23 HD2 HIS 23 7.468 -0.539 -3.835 147 HE1 HIS 23 HE1 HIS 23 10.382 1.640 -5.960 148 H GLN 24 HN GLN 24 7.997 -0.526 0.822 149 HA GLN 24 HA GLN 24 9.068 -2.755 2.320 150 HB2 GLN 24 HB2 GLN 24 6.671 -0.985 2.779 151 HB3 GLN 24 HB1 GLN 24 7.076 -2.336 3.826 152 HG2 GLN 24 HG2 GLN 24 8.874 0.009 3.270 153 HG3 GLN 24 HG1 GLN 24 7.851 -0.168 4.698 154 HE21 GLN 24 1HE2 GLN 24 10.733 -1.225 3.098 155 HE22 GLN 24 2HE2 GLN 24 11.356 -2.161 4.392 156 H CYS 25 HN CYS 25 5.973 -1.998 0.821 157 HA CYS 25 HA CYS 25 4.350 -3.223 -0.089 158 HB2 CYS 25 HB2 CYS 25 6.577 -5.204 -0.663 159 HB3 CYS 25 HB1 CYS 25 5.044 -5.115 -1.533 160 H PHE 26 HN PHE 26 2.789 -3.889 1.163 161 HA PHE 26 HA PHE 26 3.393 -5.973 3.106 162 HB2 PHE 26 HB2 PHE 26 1.784 -4.828 4.662 163 HB3 PHE 26 HB1 PHE 26 3.204 -3.875 4.285 164 HD1 PHE 26 HD1 PHE 26 -0.351 -4.042 4.276 165 HD2 PHE 26 HD2 PHE 26 2.980 -1.999 2.623 166 HE1 PHE 26 HE1 PHE 26 -1.812 -2.160 3.674 167 HE2 PHE 26 HE2 PHE 26 1.546 -0.121 2.002 168 HZ PHE 26 HZ PHE 26 -0.860 -0.184 2.536 169 HA PRO 27 HA PRO 27 0.316 -8.474 1.452 170 HB2 PRO 27 HB2 PRO 27 -0.682 -9.794 3.580 171 HB3 PRO 27 HB1 PRO 27 0.963 -10.043 2.982 172 HG2 PRO 27 HG2 PRO 27 0.008 -8.386 5.274 173 HG3 PRO 27 HG1 PRO 27 1.413 -9.465 5.187 174 HD2 PRO 27 HD2 PRO 27 1.572 -6.772 4.948 175 HD3 PRO 27 HD1 PRO 27 2.710 -7.865 4.143 176 H ASP 28 HN ASP 28 -0.820 -5.946 3.409 177 HA ASP 28 HA ASP 28 -3.561 -6.845 3.121 178 HB2 ASP 28 HB2 ASP 28 -2.627 -5.676 5.262 179 HB3 ASP 28 HB1 ASP 28 -2.780 -4.190 4.326 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -5.567 -6.158 1.032 2 HA2 GLY 1 HA2 GLY 1 -4.415 -3.693 -0.090 3 HA3 GLY 1 HA1 GLY 1 -5.535 -4.699 -1.015 4 H PHE 2 HN PHE 2 -6.561 -2.296 -0.796 5 HA PHE 2 HA PHE 2 -8.590 -2.582 1.238 6 HB2 PHE 2 HB2 PHE 2 -8.226 -0.386 2.269 7 HB3 PHE 2 HB1 PHE 2 -6.834 -1.431 2.501 8 HD1 PHE 2 HD1 PHE 2 -8.082 1.625 0.933 9 HD2 PHE 2 HD2 PHE 2 -4.718 -0.946 1.357 10 HE1 PHE 2 HE1 PHE 2 -6.626 3.386 0.038 11 HE2 PHE 2 HE2 PHE 2 -3.258 0.819 0.461 12 HZ PHE 2 HZ PHE 2 -4.211 2.985 -0.200 13 H CYS 3 HN CYS 3 -10.418 -1.412 0.828 14 HA CYS 3 HA CYS 3 -10.511 0.022 -1.718 15 HB2 CYS 3 HB2 CYS 3 -12.763 -0.834 0.128 16 HB3 CYS 3 HB1 CYS 3 -12.942 -0.151 -1.484 17 H TRP 4 HN TRP 4 -10.394 2.196 -1.687 18 HA TRP 4 HA TRP 4 -10.341 3.505 0.841 19 HB2 TRP 4 HB2 TRP 4 -8.797 4.068 -0.949 20 HB3 TRP 4 HB1 TRP 4 -10.133 4.443 -2.018 21 HD1 TRP 4 HD1 TRP 4 -9.407 5.770 1.570 22 HE1 TRP 4 HE1 TRP 4 -9.332 8.346 1.413 23 HE3 TRP 4 3HE TRP 4 -10.078 6.185 -3.368 24 HZ2 TRP 4 HZ2 TRP 4 -9.544 10.316 -0.623 25 HZ3 TRP 4 HZ3 TRP 4 -10.136 8.463 -4.429 26 HH2 TRP 4 2HH TRP 4 -9.871 10.472 -3.061 27 H HIS 5 HN HIS 5 -12.202 4.241 -2.099 28 HA HIS 5 HA HIS 5 -14.572 4.262 -0.391 29 HB2 HIS 5 HB2 HIS 5 -13.957 6.194 -2.647 30 HB3 HIS 5 HB1 HIS 5 -15.580 5.956 -2.026 31 HD1 HIS 5 HD1 HIS 5 -16.194 7.225 0.107 32 HD2 HIS 5 HD2 HIS 5 -12.150 7.411 -0.813 33 HE1 HIS 5 HE1 HIS 5 -15.215 8.946 1.641 34 H HIS 6 HN HIS 6 -13.969 4.448 -3.849 35 HA HIS 6 HA HIS 6 -15.633 2.051 -4.136 36 HB2 HIS 6 HB2 HIS 6 -15.083 4.292 -6.091 37 HB3 HIS 6 HB1 HIS 6 -15.932 2.813 -6.518 38 HD1 HIS 6 HD1 HIS 6 -18.410 2.705 -5.949 39 HD2 HIS 6 HD2 HIS 6 -16.485 5.981 -4.272 40 HE1 HIS 6 HE1 HIS 6 -20.228 4.178 -5.002 41 H SER 7 HN SER 7 -12.591 3.542 -4.875 42 HA SER 7 HA SER 7 -11.687 1.517 -6.640 43 HB2 SER 7 HB2 SER 7 -10.111 3.546 -5.068 44 HB3 SER 7 HB1 SER 7 -9.607 2.694 -6.531 45 HG SER 7 HG SER 7 -11.329 3.739 -7.631 46 H CYS 8 HN CYS 8 -10.848 -0.400 -6.077 47 HA CYS 8 HA CYS 8 -10.025 -0.799 -3.306 48 HB2 CYS 8 HB2 CYS 8 -11.094 -2.801 -5.294 49 HB3 CYS 8 HB1 CYS 8 -10.463 -3.213 -3.703 50 H VAL 9 HN VAL 9 -8.013 -0.595 -3.111 51 HA VAL 9 HA VAL 9 -6.090 -0.884 -5.153 52 HB VAL 9 HB VAL 9 -5.678 -0.884 -2.151 53 HG11 VAL 9 HG11 VAL 9 -3.471 0.027 -2.645 54 HG12 VAL 9 HG12 VAL 9 -3.807 -0.078 -4.372 55 HG13 VAL 9 3HG1 VAL 9 -3.700 -1.549 -3.406 56 HG21 VAL 9 HG21 VAL 9 -5.823 1.468 -4.028 57 HG22 VAL 9 HG22 VAL 9 -5.390 1.532 -2.318 58 HG23 VAL 9 HG23 VAL 9 -7.010 1.039 -2.796 59 HA PRO 10 HA PRO 10 -5.797 -5.346 -5.260 60 HB2 PRO 10 HB2 PRO 10 -2.960 -4.693 -5.876 61 HB3 PRO 10 HB1 PRO 10 -4.078 -5.765 -6.726 62 HG2 PRO 10 HG2 PRO 10 -3.487 -3.352 -7.692 63 HG3 PRO 10 HG1 PRO 10 -5.119 -4.022 -7.831 64 HD2 PRO 10 HD2 PRO 10 -4.091 -1.886 -6.046 65 HD3 PRO 10 HD1 PRO 10 -5.704 -2.102 -6.757 66 H SER 11 HN SER 11 -5.100 -6.946 -3.968 67 HA SER 11 HA SER 11 -4.129 -6.451 -1.403 68 HB2 SER 11 HB2 SER 11 -4.097 -9.032 -2.982 69 HB3 SER 11 HB1 SER 11 -4.014 -8.877 -1.224 70 HG SER 11 HG SER 11 -6.177 -8.429 -2.959 71 H GLY 12 HN GLY 12 -2.135 -5.907 -0.847 72 HA2 GLY 12 HA2 GLY 12 0.210 -6.418 -0.815 73 HA3 GLY 12 HA1 GLY 12 0.082 -6.843 -2.525 74 H THR 13 HN THR 13 -1.029 -4.122 -0.593 75 HA THR 13 HA THR 13 -0.255 -2.363 -2.705 76 HB THR 13 HB THR 13 -2.377 -1.898 -1.679 77 HG1 THR 13 HG1 THR 13 -1.025 -0.117 -2.318 78 HG21 THR 13 HG21 THR 13 -0.833 -1.531 0.840 79 HG22 THR 13 HG22 THR 13 -1.931 -2.862 0.460 80 HG23 THR 13 HG23 THR 13 -2.574 -1.216 0.669 81 H CYS 14 HN CYS 14 1.575 -1.339 -2.834 82 HA CYS 14 HA CYS 14 3.295 -1.327 -0.453 83 HB2 CYS 14 HB2 CYS 14 4.322 -1.540 -3.265 84 HB3 CYS 14 HB1 CYS 14 5.169 -1.889 -1.773 85 H ALA 15 HN ALA 15 3.430 0.730 0.170 86 HA ALA 15 HA ALA 15 3.265 2.849 -1.777 87 HB1 ALA 15 HB1 ALA 15 2.042 3.049 0.344 88 HB2 ALA 15 HB2 ALA 15 3.247 4.321 0.170 89 HB3 ALA 15 HB3 ALA 15 3.565 2.946 1.228 90 H ASP 16 HN ASP 16 4.921 4.261 -2.203 91 HA ASP 16 HA ASP 16 7.562 3.159 -1.870 92 HB2 ASP 16 HB2 ASP 16 6.670 5.739 -3.188 93 HB3 ASP 16 HB1 ASP 16 8.319 5.148 -3.180 94 H PHE 17 HN PHE 17 8.206 3.324 0.216 95 HA PHE 17 HA PHE 17 8.100 5.942 1.476 96 HB2 PHE 17 HB2 PHE 17 8.949 3.241 2.558 97 HB3 PHE 17 HB1 PHE 17 8.955 4.730 3.482 98 HD1 PHE 17 HD1 PHE 17 6.721 5.938 3.751 99 HD2 PHE 17 HD2 PHE 17 7.081 1.891 2.522 100 HE1 PHE 17 HE1 PHE 17 4.408 5.533 4.453 101 HE2 PHE 17 HE2 PHE 17 4.765 1.468 3.212 102 HZ PHE 17 HZ PHE 17 3.416 3.287 4.183 103 HA PRO 18 HA PRO 18 12.438 6.667 0.596 104 HB2 PRO 18 HB2 PRO 18 12.748 7.657 3.364 105 HB3 PRO 18 HB1 PRO 18 12.997 8.516 1.844 106 HG2 PRO 18 HG2 PRO 18 10.891 9.039 3.424 107 HG3 PRO 18 HG1 PRO 18 10.775 9.108 1.657 108 HD2 PRO 18 HD2 PRO 18 9.817 6.967 3.528 109 HD3 PRO 18 HD1 PRO 18 9.076 7.614 2.053 110 H TRP 19 HN TRP 19 14.587 6.009 1.383 111 HA TRP 19 HA TRP 19 14.451 3.437 2.544 112 HB2 TRP 19 HB2 TRP 19 16.582 5.051 1.284 113 HB3 TRP 19 HB1 TRP 19 17.096 3.810 2.428 114 HD1 TRP 19 HD1 TRP 19 14.811 4.054 -0.699 115 HE1 TRP 19 HE1 TRP 19 14.944 1.786 -1.912 116 HE3 TRP 19 3HE TRP 19 17.864 1.574 2.555 117 HZ2 TRP 19 HZ2 TRP 19 16.175 -0.700 -1.513 118 HZ3 TRP 19 HZ3 TRP 19 18.478 -0.747 2.059 119 HH2 TRP 19 2HH TRP 19 17.652 -1.866 0.064 120 HA PRO 20 HA PRO 20 15.898 2.045 3.356 121 HB2 PRO 20 HB2 PRO 20 16.400 0.471 5.401 122 HB3 PRO 20 HB1 PRO 20 17.578 1.716 4.964 123 HG2 PRO 20 HG2 PRO 20 15.630 1.669 7.222 124 HG3 PRO 20 HG1 PRO 20 17.263 2.349 7.165 125 HD2 PRO 20 HD2 PRO 20 14.821 3.751 6.833 126 HD3 PRO 20 HD1 PRO 20 16.455 4.381 6.552 127 H LEU 21 HN LEU 21 13.282 3.168 4.595 128 HA LEU 21 HA LEU 21 11.778 0.869 5.314 129 HB2 LEU 21 HB2 LEU 21 11.081 3.498 4.130 130 HB3 LEU 21 HB1 LEU 21 9.837 2.374 4.688 131 HG LEU 21 HG LEU 21 11.919 3.779 6.397 132 HD11 LEU 21 HD11 LEU 21 10.205 5.294 5.558 133 HD12 LEU 21 HD12 LEU 21 10.010 5.020 7.291 134 HD13 LEU 21 HD13 LEU 21 8.947 4.205 6.142 135 HD21 LEU 21 HD21 LEU 21 11.323 1.592 7.302 136 HD22 LEU 21 HD22 LEU 21 9.614 1.998 7.169 137 HD23 LEU 21 HD23 LEU 21 10.645 2.885 8.294 138 H GLY 22 HN GLY 22 11.768 2.873 2.386 139 HA2 GLY 22 HA2 GLY 22 11.537 2.380 0.177 140 HA3 GLY 22 HA1 GLY 22 12.204 0.798 0.555 141 H HIS 23 HN HIS 23 10.944 -0.721 -0.163 142 HA HIS 23 HA HIS 23 8.095 -0.247 -0.341 143 HB2 HIS 23 HB2 HIS 23 9.751 -2.589 -1.351 144 HB3 HIS 23 HB1 HIS 23 8.031 -2.374 -1.624 145 HD1 HIS 23 HD1 HIS 23 7.603 -1.565 -3.979 146 HD2 HIS 23 HD2 HIS 23 11.209 -0.147 -2.465 147 HE1 HIS 23 HE1 HIS 23 8.635 -0.173 -5.797 148 H GLN 24 HN GLN 24 7.844 -0.250 1.952 149 HA GLN 24 HA GLN 24 8.360 -2.567 3.530 150 HB2 GLN 24 HB2 GLN 24 6.351 -0.339 3.879 151 HB3 GLN 24 HB1 GLN 24 6.538 -1.629 5.056 152 HG2 GLN 24 HG2 GLN 24 8.709 0.288 4.228 153 HG3 GLN 24 HG1 GLN 24 7.708 0.459 5.667 154 HE21 GLN 24 1HE2 GLN 24 7.738 -2.459 6.210 155 HE22 GLN 24 2HE2 GLN 24 9.309 -2.786 6.808 156 H CYS 25 HN CYS 25 5.323 -1.363 2.210 157 HA CYS 25 HA CYS 25 3.627 -2.283 1.141 158 HB2 CYS 25 HB2 CYS 25 5.438 -3.375 -0.195 159 HB3 CYS 25 HB1 CYS 25 5.239 -4.794 0.827 160 H PHE 26 HN PHE 26 1.773 -3.246 1.502 161 HA PHE 26 HA PHE 26 1.591 -4.769 3.976 162 HB2 PHE 26 HB2 PHE 26 -0.507 -3.243 2.427 163 HB3 PHE 26 HB1 PHE 26 -0.829 -4.201 3.866 164 HD1 PHE 26 HD1 PHE 26 0.371 -3.591 5.963 165 HD2 PHE 26 HD2 PHE 26 0.142 -1.031 2.601 166 HE1 PHE 26 HE1 PHE 26 0.893 -1.648 7.414 167 HE2 PHE 26 HE2 PHE 26 0.662 0.904 3.994 168 HZ PHE 26 HZ PHE 26 1.038 0.610 6.423 169 HA PRO 27 HA PRO 27 0.840 -8.482 1.561 170 HB2 PRO 27 HB2 PRO 27 -0.793 -8.941 4.018 171 HB3 PRO 27 HB1 PRO 27 0.314 -10.074 3.203 172 HG2 PRO 27 HG2 PRO 27 1.090 -8.894 5.401 173 HG3 PRO 27 HG1 PRO 27 2.200 -8.904 4.014 174 HD2 PRO 27 HD2 PRO 27 0.478 -6.680 5.036 175 HD3 PRO 27 HD1 PRO 27 2.143 -6.641 4.419 176 H ASP 28 HN ASP 28 -1.699 -6.610 3.132 177 HA ASP 28 HA ASP 28 -3.763 -7.852 1.489 178 HB2 ASP 28 HB2 ASP 28 -5.338 -6.819 3.047 179 HB3 ASP 28 HB1 ASP 28 -4.135 -7.761 3.921 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -5.216 -6.124 1.114 2 HA2 GLY 1 HA2 GLY 1 -3.612 -3.762 0.438 3 HA3 GLY 1 HA1 GLY 1 -5.004 -4.303 -0.494 4 H PHE 2 HN PHE 2 -6.015 -2.338 -0.210 5 HA PHE 2 HA PHE 2 -7.631 -2.202 2.094 6 HB2 PHE 2 HB2 PHE 2 -7.028 0.178 2.671 7 HB3 PHE 2 HB1 PHE 2 -5.807 -1.002 3.106 8 HD1 PHE 2 HD1 PHE 2 -3.632 -0.942 2.107 9 HD2 PHE 2 HD2 PHE 2 -6.652 1.760 0.808 10 HE1 PHE 2 HE1 PHE 2 -1.935 0.402 0.972 11 HE2 PHE 2 HE2 PHE 2 -4.949 3.105 -0.344 12 HZ PHE 2 HZ PHE 2 -2.588 2.429 -0.265 13 H CYS 3 HN CYS 3 -9.496 -1.165 1.646 14 HA CYS 3 HA CYS 3 -9.564 0.055 -0.976 15 HB2 CYS 3 HB2 CYS 3 -11.653 -1.778 0.204 16 HB3 CYS 3 HB1 CYS 3 -11.843 -0.882 -1.302 17 H TRP 4 HN TRP 4 -10.264 1.979 -1.073 18 HA TRP 4 HA TRP 4 -11.851 3.053 1.108 19 HB2 TRP 4 HB2 TRP 4 -9.458 3.744 1.220 20 HB3 TRP 4 HB1 TRP 4 -9.530 4.267 -0.450 21 HD1 TRP 4 HD1 TRP 4 -11.011 5.233 3.000 22 HE1 TRP 4 HE1 TRP 4 -11.450 7.772 2.959 23 HE3 TRP 4 3HE TRP 4 -9.764 6.161 -1.819 24 HZ2 TRP 4 HZ2 TRP 4 -11.286 9.883 1.116 25 HZ3 TRP 4 HZ3 TRP 4 -9.918 8.484 -2.676 26 HH2 TRP 4 2HH TRP 4 -10.671 10.300 -1.226 27 H HIS 5 HN HIS 5 -12.568 5.379 -0.082 28 HA HIS 5 HA HIS 5 -14.557 4.719 -1.899 29 HB2 HIS 5 HB2 HIS 5 -13.251 7.411 -1.447 30 HB3 HIS 5 HB1 HIS 5 -14.719 7.172 -2.381 31 HD1 HIS 5 HD1 HIS 5 -16.907 6.981 -1.069 32 HD2 HIS 5 HD2 HIS 5 -13.519 6.971 1.334 33 HE1 HIS 5 HE1 HIS 5 -17.729 7.197 1.306 34 H HIS 6 HN HIS 6 -14.425 4.013 -3.837 35 HA HIS 6 HA HIS 6 -13.998 3.737 -6.033 36 HB2 HIS 6 HB2 HIS 6 -12.147 6.129 -5.820 37 HB3 HIS 6 HB1 HIS 6 -12.565 5.326 -7.318 38 HD1 HIS 6 HD1 HIS 6 -14.473 6.384 -8.560 39 HD2 HIS 6 HD2 HIS 6 -14.482 7.368 -4.528 40 HE1 HIS 6 HE1 HIS 6 -16.274 8.125 -8.266 41 H SER 7 HN SER 7 -11.073 4.611 -4.328 42 HA SER 7 HA SER 7 -9.408 2.864 -5.859 43 HB2 SER 7 HB2 SER 7 -8.842 4.258 -3.290 44 HB3 SER 7 HB1 SER 7 -7.647 3.693 -4.451 45 HG SER 7 HG SER 7 -8.243 6.013 -4.478 46 H CYS 8 HN CYS 8 -10.183 0.837 -5.507 47 HA CYS 8 HA CYS 8 -9.916 -0.240 -2.803 48 HB2 CYS 8 HB2 CYS 8 -12.086 -0.683 -3.921 49 HB3 CYS 8 HB1 CYS 8 -11.232 -1.467 -5.238 50 H VAL 9 HN VAL 9 -7.908 -0.890 -2.443 51 HA VAL 9 HA VAL 9 -6.302 -1.799 -4.672 52 HB VAL 9 HB VAL 9 -5.483 -1.328 -1.798 53 HG11 VAL 9 HG11 VAL 9 -3.847 -1.516 -4.313 54 HG12 VAL 9 HG12 VAL 9 -3.961 -2.736 -3.042 55 HG13 VAL 9 3HG1 VAL 9 -3.234 -1.167 -2.696 56 HG21 VAL 9 HG21 VAL 9 -4.604 0.839 -2.541 57 HG22 VAL 9 HG22 VAL 9 -6.355 0.741 -2.700 58 HG23 VAL 9 HG23 VAL 9 -5.330 0.579 -4.129 59 HA PRO 10 HA PRO 10 -7.132 -6.000 -3.368 60 HB2 PRO 10 HB2 PRO 10 -5.371 -7.192 -5.052 61 HB3 PRO 10 HB1 PRO 10 -6.961 -6.621 -5.580 62 HG2 PRO 10 HG2 PRO 10 -4.279 -5.348 -5.891 63 HG3 PRO 10 HG1 PRO 10 -5.624 -5.417 -7.042 64 HD2 PRO 10 HD2 PRO 10 -5.059 -3.237 -5.537 65 HD3 PRO 10 HD1 PRO 10 -6.709 -3.635 -6.068 66 H SER 11 HN SER 11 -5.845 -7.835 -2.575 67 HA SER 11 HA SER 11 -4.128 -7.239 -0.534 68 HB2 SER 11 HB2 SER 11 -4.183 -9.790 -2.127 69 HB3 SER 11 HB1 SER 11 -3.744 -9.605 -0.430 70 HG SER 11 HG SER 11 -5.846 -9.193 0.098 71 H GLY 12 HN GLY 12 -2.131 -6.358 -0.674 72 HA2 GLY 12 HA2 GLY 12 0.194 -6.839 -1.209 73 HA3 GLY 12 HA1 GLY 12 -0.355 -7.270 -2.829 74 H THR 13 HN THR 13 0.143 -4.657 -0.589 75 HA THR 13 HA THR 13 -0.140 -2.812 -2.858 76 HB THR 13 HB THR 13 -0.384 -2.069 0.032 77 HG1 THR 13 HG1 THR 13 -2.130 -3.348 -1.665 78 HG21 THR 13 HG21 THR 13 -1.179 -0.720 -2.555 79 HG22 THR 13 HG22 THR 13 0.102 -0.213 -1.456 80 HG23 THR 13 HG23 THR 13 -1.585 -0.110 -0.954 81 H CYS 14 HN CYS 14 1.768 -2.254 -3.554 82 HA CYS 14 HA CYS 14 3.916 -1.671 -1.649 83 HB2 CYS 14 HB2 CYS 14 4.103 -2.361 -4.592 84 HB3 CYS 14 HB1 CYS 14 5.466 -1.973 -3.549 85 H ALA 15 HN ALA 15 3.874 0.427 -1.243 86 HA ALA 15 HA ALA 15 3.474 2.258 -3.485 87 HB1 ALA 15 HB1 ALA 15 1.707 2.419 -1.780 88 HB2 ALA 15 HB2 ALA 15 2.679 3.886 -1.845 89 HB3 ALA 15 HB3 ALA 15 2.932 2.718 -0.545 90 H ASP 16 HN ASP 16 4.719 4.333 -3.145 91 HA ASP 16 HA ASP 16 7.428 3.553 -2.569 92 HB2 ASP 16 HB2 ASP 16 6.308 6.097 -3.747 93 HB3 ASP 16 HB1 ASP 16 8.016 5.858 -3.411 94 H PHE 17 HN PHE 17 7.587 3.359 -0.442 95 HA PHE 17 HA PHE 17 7.001 5.652 1.222 96 HB2 PHE 17 HB2 PHE 17 7.870 2.832 1.828 97 HB3 PHE 17 HB1 PHE 17 7.843 4.087 3.058 98 HD1 PHE 17 HD1 PHE 17 5.867 1.809 1.054 99 HD2 PHE 17 HD2 PHE 17 5.746 5.094 3.738 100 HE1 PHE 17 HE1 PHE 17 3.487 1.370 1.474 101 HE2 PHE 17 HE2 PHE 17 3.380 4.684 4.164 102 HZ PHE 17 HZ PHE 17 2.231 2.810 3.037 103 HA PRO 18 HA PRO 18 11.212 7.111 1.164 104 HB2 PRO 18 HB2 PRO 18 11.324 8.190 3.645 105 HB3 PRO 18 HB1 PRO 18 10.479 8.984 2.313 106 HG2 PRO 18 HG2 PRO 18 9.372 7.372 4.569 107 HG3 PRO 18 HG1 PRO 18 8.737 8.854 3.834 108 HD2 PRO 18 HD2 PRO 18 7.753 6.394 3.291 109 HD3 PRO 18 HD1 PRO 18 7.732 7.693 2.092 110 H TRP 19 HN TRP 19 13.131 6.545 1.829 111 HA TRP 19 HA TRP 19 13.516 4.044 2.990 112 HB2 TRP 19 HB2 TRP 19 15.411 4.486 1.827 113 HB3 TRP 19 HB1 TRP 19 15.101 6.208 1.848 114 HD1 TRP 19 HD1 TRP 19 16.071 7.533 3.919 115 HE1 TRP 19 HE1 TRP 19 18.212 7.119 5.340 116 HE3 TRP 19 3HE TRP 19 16.870 2.684 2.687 117 HZ2 TRP 19 HZ2 TRP 19 19.972 4.975 5.823 118 HZ3 TRP 19 HZ3 TRP 19 18.806 1.505 3.642 119 HH2 TRP 19 2HH TRP 19 20.323 2.629 5.179 120 HA PRO 20 HA PRO 20 15.039 3.031 4.201 121 HB2 PRO 20 HB2 PRO 20 15.409 1.500 6.349 122 HB3 PRO 20 HB1 PRO 20 16.440 2.899 6.025 123 HG2 PRO 20 HG2 PRO 20 14.262 2.575 8.008 124 HG3 PRO 20 HG1 PRO 20 15.737 3.554 8.096 125 HD2 PRO 20 HD2 PRO 20 13.118 4.443 7.411 126 HD3 PRO 20 HD1 PRO 20 14.622 5.379 7.318 127 H LEU 21 HN LEU 21 12.048 3.530 4.865 128 HA LEU 21 HA LEU 21 10.938 0.949 5.350 129 HB2 LEU 21 HB2 LEU 21 9.959 3.422 4.056 130 HB3 LEU 21 HB1 LEU 21 8.876 2.062 4.378 131 HG LEU 21 HG LEU 21 10.300 3.795 6.425 132 HD11 LEU 21 HD11 LEU 21 7.402 3.619 5.624 133 HD12 LEU 21 HD12 LEU 21 8.497 4.965 5.294 134 HD13 LEU 21 HD13 LEU 21 8.043 4.579 6.956 135 HD21 LEU 21 HD21 LEU 21 8.296 1.577 6.786 136 HD22 LEU 21 HD22 LEU 21 8.925 2.614 8.064 137 HD23 LEU 21 HD23 LEU 21 10.005 1.499 7.221 138 H GLY 22 HN GLY 22 10.924 3.003 2.456 139 HA2 GLY 22 HA2 GLY 22 11.218 2.567 0.250 140 HA3 GLY 22 HA1 GLY 22 12.082 1.111 0.725 141 H HIS 23 HN HIS 23 11.219 -0.722 0.153 142 HA HIS 23 HA HIS 23 8.547 -0.710 -0.970 143 HB2 HIS 23 HB2 HIS 23 10.689 -2.862 -1.056 144 HB3 HIS 23 HB1 HIS 23 9.125 -2.962 -1.849 145 HD1 HIS 23 HD1 HIS 23 9.075 -2.141 -4.238 146 HD2 HIS 23 HD2 HIS 23 12.361 -0.717 -2.125 147 HE1 HIS 23 HE1 HIS 23 10.520 -0.926 -5.912 148 H GLN 24 HN GLN 24 7.703 -0.431 1.130 149 HA GLN 24 HA GLN 24 7.837 -2.262 3.229 150 HB2 GLN 24 HB2 GLN 24 5.633 -0.424 2.345 151 HB3 GLN 24 HB1 GLN 24 5.487 -1.397 3.796 152 HG2 GLN 24 HG2 GLN 24 7.647 0.617 3.255 153 HG3 GLN 24 HG1 GLN 24 6.220 0.891 4.256 154 HE21 GLN 24 1HE2 GLN 24 6.060 -0.162 6.230 155 HE22 GLN 24 2HE2 GLN 24 7.440 -0.852 7.007 156 H CYS 25 HN CYS 25 5.428 -2.056 0.690 157 HA CYS 25 HA CYS 25 3.937 -3.451 -0.164 158 HB2 CYS 25 HB2 CYS 25 6.160 -5.428 0.281 159 HB3 CYS 25 HB1 CYS 25 4.716 -5.756 -0.675 160 H PHE 26 HN PHE 26 2.254 -3.448 0.997 161 HA PHE 26 HA PHE 26 2.064 -4.867 3.468 162 HB2 PHE 26 HB2 PHE 26 -0.064 -3.527 1.793 163 HB3 PHE 26 HB1 PHE 26 -0.320 -4.199 3.400 164 HD1 PHE 26 HD1 PHE 26 0.767 -1.359 1.520 165 HD2 PHE 26 HD2 PHE 26 0.985 -3.266 5.301 166 HE1 PHE 26 HE1 PHE 26 1.490 0.752 2.523 167 HE2 PHE 26 HE2 PHE 26 1.716 -1.142 6.332 168 HZ PHE 26 HZ PHE 26 1.968 0.869 4.929 169 HA PRO 27 HA PRO 27 1.119 -8.948 1.942 170 HB2 PRO 27 HB2 PRO 27 -0.655 -8.723 4.340 171 HB3 PRO 27 HB1 PRO 27 0.370 -10.091 3.850 172 HG2 PRO 27 HG2 PRO 27 1.166 -8.498 5.765 173 HG3 PRO 27 HG1 PRO 27 2.322 -8.965 4.501 174 HD2 PRO 27 HD2 PRO 27 0.887 -6.380 4.892 175 HD3 PRO 27 HD1 PRO 27 2.525 -6.692 4.287 176 H ASP 28 HN ASP 28 -1.607 -7.150 3.361 177 HA ASP 28 HA ASP 28 -3.225 -8.069 1.109 178 HB2 ASP 28 HB2 ASP 28 -4.004 -8.696 3.455 179 HB3 ASP 28 HB1 ASP 28 -4.263 -6.979 3.747 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -4.885 -5.852 0.156 2 HA2 GLY 1 HA2 GLY 1 -3.701 -3.475 -0.850 3 HA3 GLY 1 HA1 GLY 1 -5.054 -4.332 -1.575 4 H PHE 2 HN PHE 2 -4.205 -1.485 -0.494 5 HA PHE 2 HA PHE 2 -6.183 -0.741 1.353 6 HB2 PHE 2 HB2 PHE 2 -5.493 1.581 0.940 7 HB3 PHE 2 HB1 PHE 2 -4.127 0.512 1.192 8 HD1 PHE 2 HD1 PHE 2 -2.919 -0.330 -0.984 9 HD2 PHE 2 HD2 PHE 2 -5.537 3.026 -0.845 10 HE1 PHE 2 HE1 PHE 2 -1.893 0.550 -3.015 11 HE2 PHE 2 HE2 PHE 2 -4.506 3.907 -2.883 12 HZ PHE 2 HZ PHE 2 -2.680 2.673 -3.978 13 H CYS 3 HN CYS 3 -7.926 0.743 1.157 14 HA CYS 3 HA CYS 3 -9.273 0.775 -1.462 15 HB2 CYS 3 HB2 CYS 3 -10.632 0.270 1.196 16 HB3 CYS 3 HB1 CYS 3 -11.372 0.231 -0.395 17 H TRP 4 HN TRP 4 -10.494 2.650 -1.817 18 HA TRP 4 HA TRP 4 -10.105 4.750 0.207 19 HB2 TRP 4 HB2 TRP 4 -10.930 5.138 -2.686 20 HB3 TRP 4 HB1 TRP 4 -10.530 6.401 -1.531 21 HD1 TRP 4 HD1 TRP 4 -7.826 6.385 -0.744 22 HE1 TRP 4 HE1 TRP 4 -5.774 5.895 -2.221 23 HE3 TRP 4 3HE TRP 4 -10.146 3.895 -4.527 24 HZ2 TRP 4 HZ2 TRP 4 -5.229 4.623 -4.690 25 HZ3 TRP 4 HZ3 TRP 4 -8.801 3.075 -6.404 26 HH2 TRP 4 2HH TRP 4 -6.398 3.429 -6.477 27 H HIS 5 HN HIS 5 -12.583 4.541 -2.304 28 HA HIS 5 HA HIS 5 -14.625 4.416 -0.213 29 HB2 HIS 5 HB2 HIS 5 -14.759 5.990 -2.817 30 HB3 HIS 5 HB1 HIS 5 -16.074 5.826 -1.667 31 HD1 HIS 5 HD1 HIS 5 -16.127 7.539 0.251 32 HD2 HIS 5 HD2 HIS 5 -12.568 7.581 -1.895 33 HE1 HIS 5 HE1 HIS 5 -14.856 9.562 1.036 34 H HIS 6 HN HIS 6 -14.642 2.201 -0.474 35 HA HIS 6 HA HIS 6 -15.416 0.230 -1.168 36 HB2 HIS 6 HB2 HIS 6 -17.488 1.325 -1.951 37 HB3 HIS 6 HB1 HIS 6 -16.713 1.734 -3.476 38 HD1 HIS 6 HD1 HIS 6 -16.702 -0.090 -5.296 39 HD2 HIS 6 HD2 HIS 6 -18.114 -1.426 -1.626 40 HE1 HIS 6 HE1 HIS 6 -17.692 -2.363 -5.714 41 H SER 7 HN SER 7 -14.047 2.194 -3.689 42 HA SER 7 HA SER 7 -13.012 0.215 -5.338 43 HB2 SER 7 HB2 SER 7 -11.883 2.927 -4.762 44 HB3 SER 7 HB1 SER 7 -11.696 2.004 -6.256 45 HG SER 7 HG SER 7 -13.339 3.683 -6.281 46 H CYS 8 HN CYS 8 -11.762 -1.314 -4.624 47 HA CYS 8 HA CYS 8 -9.605 -0.711 -2.754 48 HB2 CYS 8 HB2 CYS 8 -10.952 -3.317 -3.473 49 HB3 CYS 8 HB1 CYS 8 -9.523 -3.192 -2.454 50 H VAL 9 HN VAL 9 -7.558 -1.077 -3.342 51 HA VAL 9 HA VAL 9 -7.087 -1.494 -6.152 52 HB VAL 9 HB VAL 9 -5.068 -1.183 -3.896 53 HG11 VAL 9 HG11 VAL 9 -3.541 -0.396 -5.623 54 HG12 VAL 9 HG12 VAL 9 -4.780 -0.648 -6.852 55 HG13 VAL 9 3HG1 VAL 9 -4.105 -2.028 -5.981 56 HG21 VAL 9 HG21 VAL 9 -6.304 0.969 -5.603 57 HG22 VAL 9 HG22 VAL 9 -4.983 1.196 -4.453 58 HG23 VAL 9 HG23 VAL 9 -6.576 0.711 -3.879 59 HA PRO 10 HA PRO 10 -6.890 -5.962 -6.032 60 HB2 PRO 10 HB2 PRO 10 -4.390 -6.027 -7.419 61 HB3 PRO 10 HB1 PRO 10 -5.988 -6.381 -8.069 62 HG2 PRO 10 HG2 PRO 10 -4.412 -3.888 -8.227 63 HG3 PRO 10 HG1 PRO 10 -5.722 -4.457 -9.270 64 HD2 PRO 10 HD2 PRO 10 -6.044 -2.415 -7.585 65 HD3 PRO 10 HD1 PRO 10 -7.362 -3.565 -7.896 66 H SER 11 HN SER 11 -6.160 -7.359 -4.614 67 HA SER 11 HA SER 11 -4.510 -6.770 -2.499 68 HB2 SER 11 HB2 SER 11 -6.180 -8.598 -2.555 69 HB3 SER 11 HB1 SER 11 -5.151 -9.501 -3.662 70 HG SER 11 HG SER 11 -4.019 -10.138 -2.045 71 H GLY 12 HN GLY 12 -2.412 -6.611 -2.293 72 HA2 GLY 12 HA2 GLY 12 -0.189 -7.539 -2.641 73 HA3 GLY 12 HA1 GLY 12 -0.649 -7.806 -4.324 74 H THR 13 HN THR 13 -0.916 -5.120 -2.066 75 HA THR 13 HA THR 13 -0.030 -3.329 -4.187 76 HB THR 13 HB THR 13 -0.924 -1.557 -2.616 77 HG1 THR 13 HG1 THR 13 -0.939 -3.428 -0.903 78 HG21 THR 13 HG21 THR 13 -2.831 -3.683 -3.583 79 HG22 THR 13 HG22 THR 13 -2.195 -2.345 -4.544 80 HG23 THR 13 HG23 THR 13 -3.260 -2.023 -3.175 81 H CYS 14 HN CYS 14 1.804 -2.150 -3.983 82 HA CYS 14 HA CYS 14 2.977 -2.002 -1.369 83 HB2 CYS 14 HB2 CYS 14 4.072 -3.900 -2.531 84 HB3 CYS 14 HB1 CYS 14 4.593 -2.791 -3.797 85 H ALA 15 HN ALA 15 4.363 -0.212 -1.068 86 HA ALA 15 HA ALA 15 4.323 1.802 -3.159 87 HB1 ALA 15 HB1 ALA 15 2.445 2.276 -1.669 88 HB2 ALA 15 HB2 ALA 15 3.706 3.494 -1.501 89 HB3 ALA 15 HB3 ALA 15 3.526 2.236 -0.275 90 H ASP 16 HN ASP 16 5.988 3.346 -2.838 91 HA ASP 16 HA ASP 16 8.286 2.169 -1.491 92 HB2 ASP 16 HB2 ASP 16 9.664 3.781 -2.742 93 HB3 ASP 16 HB1 ASP 16 8.635 2.862 -3.829 94 H PHE 17 HN PHE 17 9.188 2.978 0.239 95 HA PHE 17 HA PHE 17 8.168 5.507 1.306 96 HB2 PHE 17 HB2 PHE 17 8.894 2.916 2.665 97 HB3 PHE 17 HB1 PHE 17 8.739 4.421 3.556 98 HD1 PHE 17 HD1 PHE 17 6.635 5.399 3.945 99 HD2 PHE 17 HD2 PHE 17 6.964 1.839 1.669 100 HE1 PHE 17 HE1 PHE 17 4.246 5.079 4.146 101 HE2 PHE 17 HE2 PHE 17 4.545 1.476 1.859 102 HZ PHE 17 HZ PHE 17 3.162 3.094 3.094 103 HA PRO 18 HA PRO 18 12.411 6.923 1.502 104 HB2 PRO 18 HB2 PRO 18 12.478 7.995 4.021 105 HB3 PRO 18 HB1 PRO 18 11.810 8.838 2.624 106 HG2 PRO 18 HG2 PRO 18 10.405 7.404 4.825 107 HG3 PRO 18 HG1 PRO 18 9.930 8.871 3.957 108 HD2 PRO 18 HD2 PRO 18 8.840 6.447 3.499 109 HD3 PRO 18 HD1 PRO 18 8.960 7.659 2.229 110 H TRP 19 HN TRP 19 14.323 6.357 2.221 111 HA TRP 19 HA TRP 19 14.660 3.855 3.364 112 HB2 TRP 19 HB2 TRP 19 16.603 4.362 2.289 113 HB3 TRP 19 HB1 TRP 19 16.286 6.084 2.394 114 HD1 TRP 19 HD1 TRP 19 17.217 7.343 4.407 115 HE1 TRP 19 HE1 TRP 19 19.202 6.828 6.076 116 HE3 TRP 19 3HE TRP 19 17.848 2.432 3.363 117 HZ2 TRP 19 HZ2 TRP 19 20.735 4.603 6.773 118 HZ3 TRP 19 HZ3 TRP 19 19.585 1.161 4.548 119 HH2 TRP 19 2HH TRP 19 21.001 2.233 6.219 120 HA PRO 20 HA PRO 20 15.924 2.738 4.659 121 HB2 PRO 20 HB2 PRO 20 15.985 1.261 6.975 122 HB3 PRO 20 HB1 PRO 20 17.271 2.342 6.438 123 HG2 PRO 20 HG2 PRO 20 15.512 2.642 8.694 124 HG3 PRO 20 HG1 PRO 20 16.845 3.698 8.200 125 HD2 PRO 20 HD2 PRO 20 13.941 3.959 7.739 126 HD3 PRO 20 HD1 PRO 20 15.198 5.216 7.737 127 H LEU 21 HN LEU 21 12.975 3.416 5.071 128 HA LEU 21 HA LEU 21 11.688 0.979 5.824 129 HB2 LEU 21 HB2 LEU 21 10.881 3.435 4.398 130 HB3 LEU 21 HB1 LEU 21 9.699 2.206 4.876 131 HG LEU 21 HG LEU 21 11.415 3.866 6.751 132 HD11 LEU 21 HD11 LEU 21 9.345 5.040 7.279 133 HD12 LEU 21 HD12 LEU 21 8.497 4.105 6.041 134 HD13 LEU 21 HD13 LEU 21 9.777 5.231 5.579 135 HD21 LEU 21 HD21 LEU 21 9.098 2.027 7.272 136 HD22 LEU 21 HD22 LEU 21 9.918 3.012 8.484 137 HD23 LEU 21 HD23 LEU 21 10.783 1.694 7.683 138 H GLY 22 HN GLY 22 11.920 2.800 2.765 139 HA2 GLY 22 HA2 GLY 22 12.092 2.072 0.591 140 HA3 GLY 22 HA1 GLY 22 12.591 0.505 1.220 141 H HIS 23 HN HIS 23 11.299 -0.975 0.277 142 HA HIS 23 HA HIS 23 8.537 -0.291 -0.247 143 HB2 HIS 23 HB2 HIS 23 9.977 -2.910 -0.750 144 HB3 HIS 23 HB1 HIS 23 8.346 -2.532 -1.265 145 HD1 HIS 23 HD1 HIS 23 11.694 -2.606 -2.478 146 HD2 HIS 23 HD2 HIS 23 8.381 -0.200 -3.153 147 HE1 HIS 23 HE1 HIS 23 12.090 -1.481 -4.707 148 H GLN 24 HN GLN 24 7.793 -0.037 1.839 149 HA GLN 24 HA GLN 24 7.837 -2.166 3.762 150 HB2 GLN 24 HB2 GLN 24 6.024 0.246 3.565 151 HB3 GLN 24 HB1 GLN 24 6.034 -0.865 4.925 152 HG2 GLN 24 HG2 GLN 24 8.358 0.798 4.004 153 HG3 GLN 24 HG1 GLN 24 7.309 1.173 5.373 154 HE21 GLN 24 1HE2 GLN 24 7.515 -0.039 7.262 155 HE22 GLN 24 2HE2 GLN 24 8.877 -1.074 7.507 156 H CYS 25 HN CYS 25 5.710 -1.082 1.301 157 HA CYS 25 HA CYS 25 3.999 -1.944 0.199 158 HB2 CYS 25 HB2 CYS 25 4.795 -4.574 1.460 159 HB3 CYS 25 HB1 CYS 25 3.747 -4.389 0.052 160 H PHE 26 HN PHE 26 1.890 -3.558 0.663 161 HA PHE 26 HA PHE 26 0.984 -2.798 3.322 162 HB2 PHE 26 HB2 PHE 26 -0.595 -2.722 0.747 163 HB3 PHE 26 HB1 PHE 26 -1.273 -2.476 2.352 164 HD1 PHE 26 HD1 PHE 26 0.249 -0.938 -0.453 165 HD2 PHE 26 HD2 PHE 26 -0.307 -0.587 3.738 166 HE1 PHE 26 HE1 PHE 26 0.817 1.443 -0.592 167 HE2 PHE 26 HE2 PHE 26 0.260 1.810 3.618 168 HZ PHE 26 HZ PHE 26 0.823 2.828 1.445 169 HA PRO 27 HA PRO 27 0.316 -7.194 3.946 170 HB2 PRO 27 HB2 PRO 27 -1.738 -5.817 5.631 171 HB3 PRO 27 HB1 PRO 27 -0.738 -7.224 6.053 172 HG2 PRO 27 HG2 PRO 27 -0.060 -4.880 6.976 173 HG3 PRO 27 HG1 PRO 27 1.195 -5.897 6.244 174 HD2 PRO 27 HD2 PRO 27 -0.159 -3.481 5.139 175 HD3 PRO 27 HD1 PRO 27 1.517 -4.032 4.953 176 H ASP 28 HN ASP 28 -2.394 -4.917 3.613 177 HA ASP 28 HA ASP 28 -3.681 -6.808 1.807 178 HB2 ASP 28 HB2 ASP 28 -5.908 -6.266 2.678 179 HB3 ASP 28 HB1 ASP 28 -4.912 -6.898 3.978 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -5.320 -5.700 1.465 2 HA2 GLY 1 HA2 GLY 1 -4.241 -3.694 -0.266 3 HA3 GLY 1 HA1 GLY 1 -5.871 -4.346 -0.310 4 H PHE 2 HN PHE 2 -6.080 -1.917 -0.822 5 HA PHE 2 HA PHE 2 -6.913 -0.682 1.652 6 HB2 PHE 2 HB2 PHE 2 -5.911 1.504 1.059 7 HB3 PHE 2 HB1 PHE 2 -4.716 0.270 1.412 8 HD1 PHE 2 HD1 PHE 2 -6.034 2.582 -1.069 9 HD2 PHE 2 HD2 PHE 2 -3.354 -0.676 -0.457 10 HE1 PHE 2 HE1 PHE 2 -4.867 3.149 -3.137 11 HE2 PHE 2 HE2 PHE 2 -2.197 -0.108 -2.529 12 HZ PHE 2 HZ PHE 2 -2.945 1.807 -3.876 13 H CYS 3 HN CYS 3 -8.682 0.490 1.518 14 HA CYS 3 HA CYS 3 -9.931 0.789 -1.127 15 HB2 CYS 3 HB2 CYS 3 -11.160 0.556 1.620 16 HB3 CYS 3 HB1 CYS 3 -12.057 0.878 0.142 17 H TRP 4 HN TRP 4 -10.406 2.812 -1.800 18 HA TRP 4 HA TRP 4 -9.919 4.998 0.068 19 HB2 TRP 4 HB2 TRP 4 -10.780 5.094 -2.843 20 HB3 TRP 4 HB1 TRP 4 -10.400 6.499 -1.856 21 HD1 TRP 4 HD1 TRP 4 -7.681 5.834 -0.614 22 HE1 TRP 4 HE1 TRP 4 -5.588 5.472 -2.054 23 HE3 TRP 4 3HE TRP 4 -9.948 4.706 -5.037 24 HZ2 TRP 4 HZ2 TRP 4 -4.977 4.810 -4.734 25 HZ3 TRP 4 HZ3 TRP 4 -8.543 4.227 -6.995 26 HH2 TRP 4 2HH TRP 4 -6.114 4.282 -6.846 27 H HIS 5 HN HIS 5 -12.547 4.458 -2.238 28 HA HIS 5 HA HIS 5 -14.404 4.887 -0.007 29 HB2 HIS 5 HB2 HIS 5 -14.908 5.766 -2.885 30 HB3 HIS 5 HB1 HIS 5 -15.928 6.047 -1.490 31 HD1 HIS 5 HD1 HIS 5 -14.091 8.072 -3.533 32 HD2 HIS 5 HD2 HIS 5 -13.872 7.352 0.538 33 HE1 HIS 5 HE1 HIS 5 -12.970 10.081 -2.547 34 H HIS 6 HN HIS 6 -14.656 3.960 -3.392 35 HA HIS 6 HA HIS 6 -15.958 1.444 -2.591 36 HB2 HIS 6 HB2 HIS 6 -17.404 2.947 -3.918 37 HB3 HIS 6 HB1 HIS 6 -16.173 3.043 -5.161 38 HD1 HIS 6 HD1 HIS 6 -16.416 1.425 -7.047 39 HD2 HIS 6 HD2 HIS 6 -18.562 0.273 -3.692 40 HE1 HIS 6 HE1 HIS 6 -17.758 -0.594 -7.744 41 H SER 7 HN SER 7 -13.517 2.958 -4.619 42 HA SER 7 HA SER 7 -12.656 0.601 -5.899 43 HB2 SER 7 HB2 SER 7 -11.186 3.198 -5.457 44 HB3 SER 7 HB1 SER 7 -10.856 1.994 -6.706 45 HG SER 7 HG SER 7 -13.115 2.409 -7.352 46 H CYS 8 HN CYS 8 -11.556 -0.965 -4.985 47 HA CYS 8 HA CYS 8 -9.779 -0.335 -2.762 48 HB2 CYS 8 HB2 CYS 8 -11.344 -2.868 -3.261 49 HB3 CYS 8 HB1 CYS 8 -10.183 -2.622 -1.962 50 H VAL 9 HN VAL 9 -7.780 -0.873 -3.023 51 HA VAL 9 HA VAL 9 -7.046 -2.235 -5.486 52 HB VAL 9 HB VAL 9 -5.255 -0.795 -3.499 53 HG11 VAL 9 HG11 VAL 9 -4.077 -2.297 -4.986 54 HG12 VAL 9 HG12 VAL 9 -3.700 -0.617 -5.366 55 HG13 VAL 9 3HG1 VAL 9 -4.819 -1.522 -6.386 56 HG21 VAL 9 HG21 VAL 9 -6.587 0.350 -5.960 57 HG22 VAL 9 HG22 VAL 9 -5.324 1.143 -5.014 58 HG23 VAL 9 HG23 VAL 9 -6.881 0.808 -4.275 59 HA PRO 10 HA PRO 10 -6.728 -5.917 -3.016 60 HB2 PRO 10 HB2 PRO 10 -5.148 -7.379 -4.692 61 HB3 PRO 10 HB1 PRO 10 -6.893 -7.173 -4.909 62 HG2 PRO 10 HG2 PRO 10 -4.627 -5.732 -6.230 63 HG3 PRO 10 HG1 PRO 10 -6.138 -6.324 -6.941 64 HD2 PRO 10 HD2 PRO 10 -5.781 -3.743 -6.340 65 HD3 PRO 10 HD1 PRO 10 -7.363 -4.527 -6.139 66 H SER 11 HN SER 11 -5.219 -7.341 -2.017 67 HA SER 11 HA SER 11 -2.910 -6.126 -0.956 68 HB2 SER 11 HB2 SER 11 -3.721 -9.038 -0.965 69 HB3 SER 11 HB1 SER 11 -2.650 -8.237 0.188 70 HG SER 11 HG SER 11 -4.502 -8.215 1.211 71 H GLY 12 HN GLY 12 -0.743 -6.575 -1.455 72 HA2 GLY 12 HA2 GLY 12 0.887 -7.931 -2.676 73 HA3 GLY 12 HA1 GLY 12 -0.313 -8.088 -3.957 74 H THR 13 HN THR 13 -1.081 -5.267 -3.446 75 HA THR 13 HA THR 13 0.364 -3.891 -5.392 76 HB THR 13 HB THR 13 -1.166 -2.793 -3.014 77 HG1 THR 13 HG1 THR 13 -2.746 -3.830 -3.978 78 HG21 THR 13 HG21 THR 13 -0.675 -1.588 -5.753 79 HG22 THR 13 HG22 THR 13 0.119 -1.072 -4.267 80 HG23 THR 13 HG23 THR 13 -1.621 -0.862 -4.455 81 H CYS 14 HN CYS 14 2.087 -2.298 -5.148 82 HA CYS 14 HA CYS 14 3.341 -2.570 -2.569 83 HB2 CYS 14 HB2 CYS 14 4.599 -3.694 -4.419 84 HB3 CYS 14 HB1 CYS 14 4.863 -2.103 -5.124 85 H ALA 15 HN ALA 15 4.885 -0.741 -2.057 86 HA ALA 15 HA ALA 15 4.062 1.821 -2.999 87 HB1 ALA 15 HB1 ALA 15 3.739 0.920 -0.127 88 HB2 ALA 15 HB2 ALA 15 2.435 1.391 -1.216 89 HB3 ALA 15 HB3 ALA 15 3.616 2.588 -0.685 90 H ASP 16 HN ASP 16 5.732 3.209 -2.652 91 HA ASP 16 HA ASP 16 8.192 1.937 -1.695 92 HB2 ASP 16 HB2 ASP 16 7.864 4.192 -3.681 93 HB3 ASP 16 HB1 ASP 16 9.384 3.454 -3.189 94 H PHE 17 HN PHE 17 8.551 2.635 0.277 95 HA PHE 17 HA PHE 17 7.903 5.398 0.912 96 HB2 PHE 17 HB2 PHE 17 8.522 3.010 2.673 97 HB3 PHE 17 HB1 PHE 17 8.207 4.625 3.287 98 HD1 PHE 17 HD1 PHE 17 5.967 5.672 2.714 99 HD2 PHE 17 HD2 PHE 17 6.781 1.523 2.303 100 HE1 PHE 17 HE1 PHE 17 3.570 5.216 2.742 101 HE2 PHE 17 HE2 PHE 17 4.369 1.042 2.330 102 HZ PHE 17 HZ PHE 17 2.751 2.889 2.549 103 HA PRO 18 HA PRO 18 12.251 6.217 1.076 104 HB2 PRO 18 HB2 PRO 18 12.449 8.067 3.050 105 HB3 PRO 18 HB1 PRO 18 11.740 8.440 1.477 106 HG2 PRO 18 HG2 PRO 18 10.405 7.908 4.078 107 HG3 PRO 18 HG1 PRO 18 9.937 9.017 2.781 108 HD2 PRO 18 HD2 PRO 18 8.830 6.536 3.253 109 HD3 PRO 18 HD1 PRO 18 8.714 7.392 1.715 110 H TRP 19 HN TRP 19 14.150 6.149 2.605 111 HA TRP 19 HA TRP 19 13.919 3.859 4.184 112 HB2 TRP 19 HB2 TRP 19 16.154 5.679 3.511 113 HB3 TRP 19 HB1 TRP 19 16.336 4.699 4.970 114 HD1 TRP 19 HD1 TRP 19 15.562 4.217 1.221 115 HE1 TRP 19 HE1 TRP 19 16.365 1.852 0.558 116 HE3 TRP 19 3HE TRP 19 17.089 2.543 5.795 117 HZ2 TRP 19 HZ2 TRP 19 17.470 -0.376 1.803 118 HZ3 TRP 19 HZ3 TRP 19 18.008 0.280 5.973 119 HH2 TRP 19 2HH TRP 19 18.201 -1.156 4.016 120 HA PRO 20 HA PRO 20 15.056 2.881 5.657 121 HB2 PRO 20 HB2 PRO 20 14.641 1.724 8.128 122 HB3 PRO 20 HB1 PRO 20 16.068 2.668 7.698 123 HG2 PRO 20 HG2 PRO 20 14.064 3.356 9.615 124 HG3 PRO 20 HG1 PRO 20 15.427 4.348 9.084 125 HD2 PRO 20 HD2 PRO 20 12.586 4.395 8.213 126 HD3 PRO 20 HD1 PRO 20 13.765 5.721 8.277 127 H LEU 21 HN LEU 21 12.035 3.707 5.864 128 HA LEU 21 HA LEU 21 10.614 1.323 6.395 129 HB2 LEU 21 HB2 LEU 21 10.117 3.690 4.696 130 HB3 LEU 21 HB1 LEU 21 8.845 2.505 5.036 131 HG LEU 21 HG LEU 21 10.242 4.290 7.051 132 HD11 LEU 21 HD11 LEU 21 8.810 5.566 5.579 133 HD12 LEU 21 HD12 LEU 21 8.073 5.441 7.180 134 HD13 LEU 21 HD13 LEU 21 7.488 4.437 5.851 135 HD21 LEU 21 HD21 LEU 21 8.509 3.518 8.603 136 HD22 LEU 21 HD22 LEU 21 9.507 2.179 8.038 137 HD23 LEU 21 HD23 LEU 21 7.893 2.425 7.365 138 H GLY 22 HN GLY 22 11.422 2.952 3.359 139 HA2 GLY 22 HA2 GLY 22 12.196 2.115 1.382 140 HA3 GLY 22 HA1 GLY 22 12.419 0.571 2.186 141 H HIS 23 HN HIS 23 11.618 -0.624 0.545 142 HA HIS 23 HA HIS 23 8.996 0.030 -0.551 143 HB2 HIS 23 HB2 HIS 23 10.703 -2.323 -1.391 144 HB3 HIS 23 HB1 HIS 23 9.476 -1.481 -2.328 145 HD1 HIS 23 HD1 HIS 23 10.286 0.723 -3.634 146 HD2 HIS 23 HD2 HIS 23 13.197 -1.134 -1.302 147 HE1 HIS 23 HE1 HIS 23 12.472 1.794 -4.235 148 H GLN 24 HN GLN 24 7.868 -0.419 1.326 149 HA GLN 24 HA GLN 24 7.943 -3.069 2.469 150 HB2 GLN 24 HB2 GLN 24 6.381 -0.614 3.186 151 HB3 GLN 24 HB1 GLN 24 6.138 -2.164 3.984 152 HG2 GLN 24 HG2 GLN 24 8.728 -0.654 3.846 153 HG3 GLN 24 HG1 GLN 24 7.644 -0.729 5.240 154 HE21 GLN 24 1HE2 GLN 24 10.410 -1.633 4.832 155 HE22 GLN 24 2HE2 GLN 24 10.420 -3.304 5.296 156 H CYS 25 HN CYS 25 6.017 -1.397 0.213 157 HA CYS 25 HA CYS 25 4.203 -1.953 -1.005 158 HB2 CYS 25 HB2 CYS 25 4.841 -4.776 -0.140 159 HB3 CYS 25 HB1 CYS 25 3.876 -4.335 -1.544 160 H PHE 26 HN PHE 26 2.107 -3.786 -0.693 161 HA PHE 26 HA PHE 26 1.056 -2.991 1.906 162 HB2 PHE 26 HB2 PHE 26 -0.335 -3.237 -0.751 163 HB3 PHE 26 HB1 PHE 26 -1.195 -3.131 0.778 164 HD1 PHE 26 HD1 PHE 26 0.353 -1.322 -1.865 165 HD2 PHE 26 HD2 PHE 26 -0.774 -1.114 2.219 166 HE1 PHE 26 HE1 PHE 26 0.439 1.132 -1.978 167 HE2 PHE 26 HE2 PHE 26 -0.695 1.347 2.126 168 HZ PHE 26 HZ PHE 26 -0.086 2.474 0.022 169 HA PRO 27 HA PRO 27 0.987 -7.513 2.627 170 HB2 PRO 27 HB2 PRO 27 -0.217 -6.098 4.981 171 HB3 PRO 27 HB1 PRO 27 0.845 -7.527 4.988 172 HG2 PRO 27 HG2 PRO 27 1.863 -5.199 5.597 173 HG3 PRO 27 HG1 PRO 27 2.730 -6.217 4.429 174 HD2 PRO 27 HD2 PRO 27 1.045 -3.802 3.949 175 HD3 PRO 27 HD1 PRO 27 2.544 -4.307 3.149 176 H ASP 28 HN ASP 28 -1.474 -5.168 3.586 177 HA ASP 28 HA ASP 28 -3.562 -6.888 2.459 178 HB2 ASP 28 HB2 ASP 28 -5.149 -5.899 4.053 179 HB3 ASP 28 HB1 ASP 28 -3.802 -6.609 4.929 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -3.935 -4.294 1.829 2 HA2 GLY 1 HA2 GLY 1 -2.464 -2.822 0.173 3 HA3 GLY 1 HA1 GLY 1 -3.919 -3.119 -0.775 4 H PHE 2 HN PHE 2 -5.016 -1.336 -0.741 5 HA PHE 2 HA PHE 2 -5.952 -0.277 1.743 6 HB2 PHE 2 HB2 PHE 2 -5.284 2.076 1.051 7 HB3 PHE 2 HB1 PHE 2 -3.959 1.049 1.576 8 HD1 PHE 2 HD1 PHE 2 -2.372 0.129 -0.098 9 HD2 PHE 2 HD2 PHE 2 -5.370 2.955 -1.167 10 HE1 PHE 2 HE1 PHE 2 -1.162 0.614 -2.175 11 HE2 PHE 2 HE2 PHE 2 -4.162 3.438 -3.251 12 HZ PHE 2 HZ PHE 2 -2.055 2.264 -3.756 13 H CYS 3 HN CYS 3 -7.551 1.566 1.164 14 HA CYS 3 HA CYS 3 -8.763 1.131 -1.440 15 HB2 CYS 3 HB2 CYS 3 -9.771 -0.535 0.122 16 HB3 CYS 3 HB1 CYS 3 -10.242 0.783 1.184 17 H TRP 4 HN TRP 4 -9.467 3.034 -2.243 18 HA TRP 4 HA TRP 4 -8.942 5.390 -0.690 19 HB2 TRP 4 HB2 TRP 4 -10.083 5.105 -3.473 20 HB3 TRP 4 HB1 TRP 4 -9.597 6.624 -2.731 21 HD1 TRP 4 HD1 TRP 4 -6.855 6.621 -1.953 22 HE1 TRP 4 HE1 TRP 4 -4.867 5.779 -3.345 23 HE3 TRP 4 3HE TRP 4 -9.353 3.582 -5.191 24 HZ2 TRP 4 HZ2 TRP 4 -4.414 4.075 -5.528 25 HZ3 TRP 4 HZ3 TRP 4 -8.067 2.381 -6.911 26 HH2 TRP 4 2HH TRP 4 -5.647 2.627 -7.072 27 H HIS 5 HN HIS 5 -11.830 4.397 -2.473 28 HA HIS 5 HA HIS 5 -13.419 5.451 -0.236 29 HB2 HIS 5 HB2 HIS 5 -14.116 5.622 -3.196 30 HB3 HIS 5 HB1 HIS 5 -15.214 6.065 -1.894 31 HD1 HIS 5 HD1 HIS 5 -15.042 8.482 -1.115 32 HD2 HIS 5 HD2 HIS 5 -11.838 7.287 -3.457 33 HE1 HIS 5 HE1 HIS 5 -13.718 10.559 -1.587 34 H HIS 6 HN HIS 6 -14.537 3.854 -3.143 35 HA HIS 6 HA HIS 6 -15.049 1.425 -1.579 36 HB2 HIS 6 HB2 HIS 6 -16.446 2.448 -4.070 37 HB3 HIS 6 HB1 HIS 6 -16.806 0.935 -3.250 38 HD1 HIS 6 HD1 HIS 6 -17.733 4.469 -3.299 39 HD2 HIS 6 HD2 HIS 6 -17.866 1.328 -0.591 40 HE1 HIS 6 HE1 HIS 6 -19.342 5.166 -1.507 41 H SER 7 HN SER 7 -13.226 2.926 -3.932 42 HA SER 7 HA SER 7 -12.614 0.717 -5.552 43 HB2 SER 7 HB2 SER 7 -10.764 2.415 -6.145 44 HB3 SER 7 HB1 SER 7 -12.451 2.778 -6.534 45 HG SER 7 HG SER 7 -11.309 4.512 -5.503 46 H CYS 8 HN CYS 8 -11.843 -0.878 -4.407 47 HA CYS 8 HA CYS 8 -9.734 -0.327 -2.480 48 HB2 CYS 8 HB2 CYS 8 -11.454 -2.782 -2.783 49 HB3 CYS 8 HB1 CYS 8 -10.223 -2.531 -1.552 50 H VAL 9 HN VAL 9 -7.762 -0.868 -2.887 51 HA VAL 9 HA VAL 9 -7.056 -1.843 -5.450 52 HB VAL 9 HB VAL 9 -5.295 -1.315 -3.027 53 HG11 VAL 9 HG11 VAL 9 -4.622 -1.319 -5.961 54 HG12 VAL 9 HG12 VAL 9 -4.120 -2.528 -4.773 55 HG13 VAL 9 3HG1 VAL 9 -3.541 -0.862 -4.651 56 HG21 VAL 9 HG21 VAL 9 -6.154 0.581 -5.199 57 HG22 VAL 9 HG22 VAL 9 -4.961 0.925 -3.946 58 HG23 VAL 9 HG23 VAL 9 -6.644 0.633 -3.507 59 HA PRO 10 HA PRO 10 -7.063 -6.264 -4.718 60 HB2 PRO 10 HB2 PRO 10 -4.789 -6.822 -6.196 61 HB3 PRO 10 HB1 PRO 10 -6.435 -6.731 -6.847 62 HG2 PRO 10 HG2 PRO 10 -4.280 -4.658 -6.804 63 HG3 PRO 10 HG1 PRO 10 -5.427 -5.045 -8.101 64 HD2 PRO 10 HD2 PRO 10 -5.803 -2.922 -6.618 65 HD3 PRO 10 HD1 PRO 10 -7.190 -3.962 -7.005 66 H SER 11 HN SER 11 -5.768 -7.995 -3.876 67 HA SER 11 HA SER 11 -4.196 -7.200 -1.677 68 HB2 SER 11 HB2 SER 11 -4.664 -9.956 -2.822 69 HB3 SER 11 HB1 SER 11 -4.185 -9.554 -1.170 70 HG SER 11 HG SER 11 -6.220 -8.315 -1.098 71 H GLY 12 HN GLY 12 -2.030 -7.349 -1.426 72 HA2 GLY 12 HA2 GLY 12 0.156 -8.114 -1.876 73 HA3 GLY 12 HA1 GLY 12 -0.392 -8.660 -3.454 74 H THR 13 HN THR 13 -1.179 -5.501 -2.326 75 HA THR 13 HA THR 13 0.387 -4.361 -4.482 76 HB THR 13 HB THR 13 -1.616 -3.088 -2.589 77 HG1 THR 13 HG1 THR 13 -2.848 -4.321 -3.889 78 HG21 THR 13 HG21 THR 13 -0.428 -2.026 -5.174 79 HG22 THR 13 HG22 THR 13 0.004 -1.467 -3.563 80 HG23 THR 13 HG23 THR 13 -1.627 -1.205 -4.172 81 H CYS 14 HN CYS 14 2.053 -2.835 -4.160 82 HA CYS 14 HA CYS 14 2.923 -2.635 -1.402 83 HB2 CYS 14 HB2 CYS 14 4.409 -4.072 -2.775 84 HB3 CYS 14 HB1 CYS 14 4.677 -2.722 -3.873 85 H ALA 15 HN ALA 15 4.197 -0.637 -0.961 86 HA ALA 15 HA ALA 15 3.518 1.565 -2.718 87 HB1 ALA 15 HB1 ALA 15 1.849 1.573 -0.924 88 HB2 ALA 15 HB2 ALA 15 2.943 2.947 -0.758 89 HB3 ALA 15 HB3 ALA 15 3.134 1.535 0.283 90 H ASP 16 HN ASP 16 5.016 3.176 -2.690 91 HA ASP 16 HA ASP 16 7.669 2.351 -1.856 92 HB2 ASP 16 HB2 ASP 16 7.363 3.065 -4.151 93 HB3 ASP 16 HB1 ASP 16 6.700 4.602 -3.619 94 H PHE 17 HN PHE 17 8.106 2.865 0.180 95 HA PHE 17 HA PHE 17 7.272 5.452 1.215 96 HB2 PHE 17 HB2 PHE 17 8.242 2.905 2.508 97 HB3 PHE 17 HB1 PHE 17 8.145 4.405 3.412 98 HD1 PHE 17 HD1 PHE 17 6.044 5.336 4.022 99 HD2 PHE 17 HD2 PHE 17 6.232 1.757 1.754 100 HE1 PHE 17 HE1 PHE 17 3.688 4.936 4.494 101 HE2 PHE 17 HE2 PHE 17 3.855 1.326 2.226 102 HZ PHE 17 HZ PHE 17 2.570 2.919 3.598 103 HA PRO 18 HA PRO 18 11.396 7.096 1.026 104 HB2 PRO 18 HB2 PRO 18 11.648 8.371 3.416 105 HB3 PRO 18 HB1 PRO 18 10.648 8.998 2.100 106 HG2 PRO 18 HG2 PRO 18 9.824 7.426 4.510 107 HG3 PRO 18 HG1 PRO 18 9.074 8.874 3.818 108 HD2 PRO 18 HD2 PRO 18 8.085 6.433 3.367 109 HD3 PRO 18 HD1 PRO 18 8.049 7.671 2.105 110 H TRP 19 HN TRP 19 13.522 7.055 2.179 111 HA TRP 19 HA TRP 19 13.860 4.447 3.287 112 HB2 TRP 19 HB2 TRP 19 15.696 6.490 2.187 113 HB3 TRP 19 HB1 TRP 19 16.366 5.375 3.384 114 HD1 TRP 19 HD1 TRP 19 14.495 5.248 -0.006 115 HE1 TRP 19 HE1 TRP 19 15.123 3.027 -1.146 116 HE3 TRP 19 3HE TRP 19 17.389 3.218 3.687 117 HZ2 TRP 19 HZ2 TRP 19 16.626 0.746 -0.548 118 HZ3 TRP 19 HZ3 TRP 19 18.390 1.009 3.319 119 HH2 TRP 19 2HH TRP 19 18.023 -0.205 1.238 120 HA PRO 20 HA PRO 20 15.392 3.356 4.260 121 HB2 PRO 20 HB2 PRO 20 16.058 1.966 6.398 122 HB3 PRO 20 HB1 PRO 20 17.002 3.397 5.961 123 HG2 PRO 20 HG2 PRO 20 15.011 3.047 8.150 124 HG3 PRO 20 HG1 PRO 20 16.459 4.066 8.104 125 HD2 PRO 20 HD2 PRO 20 13.758 4.846 7.599 126 HD3 PRO 20 HD1 PRO 20 15.211 5.843 7.418 127 H LEU 21 HN LEU 21 12.503 3.938 5.226 128 HA LEU 21 HA LEU 21 11.395 1.465 6.044 129 HB2 LEU 21 HB2 LEU 21 10.341 3.768 4.485 130 HB3 LEU 21 HB1 LEU 21 9.289 2.461 5.032 131 HG LEU 21 HG LEU 21 10.844 4.340 6.841 132 HD11 LEU 21 HD11 LEU 21 8.678 5.361 7.303 133 HD12 LEU 21 HD12 LEU 21 7.923 4.309 6.101 134 HD13 LEU 21 HD13 LEU 21 9.110 5.518 5.600 135 HD21 LEU 21 HD21 LEU 21 9.407 3.430 8.598 136 HD22 LEU 21 HD22 LEU 21 10.384 2.164 7.853 137 HD23 LEU 21 HD23 LEU 21 8.677 2.328 7.430 138 H GLY 22 HN GLY 22 11.615 3.069 2.902 139 HA2 GLY 22 HA2 GLY 22 11.883 2.269 0.784 140 HA3 GLY 22 HA1 GLY 22 12.396 0.746 1.494 141 H HIS 23 HN HIS 23 11.249 -0.818 0.634 142 HA HIS 23 HA HIS 23 8.502 -0.313 -0.089 143 HB2 HIS 23 HB2 HIS 23 10.222 -2.762 -0.531 144 HB3 HIS 23 HB1 HIS 23 8.571 -2.571 -1.103 145 HD1 HIS 23 HD1 HIS 23 11.988 -2.146 -2.220 146 HD2 HIS 23 HD2 HIS 23 8.359 -0.248 -2.923 147 HE1 HIS 23 HE1 HIS 23 12.270 -0.879 -4.355 148 H GLN 24 HN GLN 24 7.668 -0.086 1.917 149 HA GLN 24 HA GLN 24 7.725 -2.157 3.895 150 HB2 GLN 24 HB2 GLN 24 5.762 0.105 3.483 151 HB3 GLN 24 HB1 GLN 24 5.704 -0.992 4.851 152 HG2 GLN 24 HG2 GLN 24 8.042 0.779 4.181 153 HG3 GLN 24 HG1 GLN 24 6.778 1.184 5.343 154 HE21 GLN 24 1HE2 GLN 24 6.666 0.035 7.245 155 HE22 GLN 24 2HE2 GLN 24 7.966 -0.901 7.866 156 H CYS 25 HN CYS 25 5.577 -1.303 1.299 157 HA CYS 25 HA CYS 25 3.985 -2.347 0.148 158 HB2 CYS 25 HB2 CYS 25 5.195 -4.875 1.282 159 HB3 CYS 25 HB1 CYS 25 4.103 -4.804 -0.098 160 H PHE 26 HN PHE 26 2.061 -4.159 0.396 161 HA PHE 26 HA PHE 26 1.107 -4.141 3.135 162 HB2 PHE 26 HB2 PHE 26 -0.413 -3.250 0.680 163 HB3 PHE 26 HB1 PHE 26 -1.207 -3.698 2.183 164 HD1 PHE 26 HD1 PHE 26 -0.721 -2.362 4.228 165 HD2 PHE 26 HD2 PHE 26 0.465 -1.103 0.349 166 HE1 PHE 26 HE1 PHE 26 -0.489 -0.046 5.057 167 HE2 PHE 26 HE2 PHE 26 0.706 1.210 1.160 168 HZ PHE 26 HZ PHE 26 0.228 1.740 3.518 169 HA PRO 27 HA PRO 27 0.241 -8.464 2.176 170 HB2 PRO 27 HB2 PRO 27 -2.035 -7.976 4.043 171 HB3 PRO 27 HB1 PRO 27 -0.817 -9.266 4.091 172 HG2 PRO 27 HG2 PRO 27 -0.681 -7.283 5.812 173 HG3 PRO 27 HG1 PRO 27 0.797 -7.845 5.009 174 HD2 PRO 27 HD2 PRO 27 -0.868 -5.425 4.419 175 HD3 PRO 27 HD1 PRO 27 0.900 -5.591 4.488 176 H ASP 28 HN ASP 28 -2.538 -6.320 2.686 177 HA ASP 28 HA ASP 28 -3.789 -7.505 0.341 178 HB2 ASP 28 HB2 ASP 28 -5.221 -7.524 2.340 179 HB3 ASP 28 HB1 ASP 28 -5.009 -5.791 2.534
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