NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
524378 | 2lbg | 17558 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HN LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 2.746 0.859 -1.229 3 HB2 LYS 1 1HB LYS 1 3.488 -1.254 -2.271 4 HB3 LYS 1 2HB LYS 1 3.650 -1.280 -0.520 5 HG2 LYS 1 1HG LYS 1 1.999 -2.838 -0.249 6 HG3 LYS 1 2HG LYS 1 1.167 -2.377 -1.736 7 HD2 LYS 1 1HD LYS 1 3.879 -3.665 -1.783 8 HD3 LYS 1 2HD LYS 1 2.401 -4.626 -1.698 9 HE2 LYS 1 1HE LYS 1 1.640 -3.807 -3.784 10 HE3 LYS 1 2HE LYS 1 2.859 -2.533 -3.810 11 HZ1 LYS 1 3HZ LYS 1 4.397 -3.917 -4.625 12 HZ2 LYS 1 1HZ LYS 1 3.088 -4.892 -5.071 13 HZ3 LYS 1 2HZ LYS 1 3.929 -5.209 -3.638 14 H HIS 2 HN HIS 2 0.198 1.635 -1.620 15 HA HIS 2 HA HIS 2 -1.072 0.286 -3.798 16 HB2 HIS 2 1HB HIS 2 -1.510 2.855 -2.333 17 HB3 HIS 2 2HB HIS 2 -2.296 2.624 -3.893 18 HD1 HIS 2 HD1 HIS 2 -1.840 -0.085 -1.300 19 HD2 HIS 2 HD2 HIS 2 -4.854 2.230 -2.979 20 HE1 HIS 2 HE1 HIS 2 -3.993 -1.052 -0.432 21 H MET 3 HN MET 3 1.735 1.927 -3.723 22 HA MET 3 HA MET 3 1.550 3.687 -5.925 23 HB2 MET 3 1HB MET 3 4.075 3.394 -5.990 24 HB3 MET 3 2HB MET 3 3.396 3.985 -4.479 25 HG2 MET 3 1HG MET 3 4.475 2.370 -3.429 26 HG3 MET 3 2HG MET 3 3.432 1.204 -4.241 27 HE1 MET 3 3HE MET 3 5.416 -0.729 -6.433 28 HE2 MET 3 1HE MET 3 5.547 -0.964 -4.690 29 HE3 MET 3 2HE MET 3 4.015 -0.452 -5.398 30 H ALA 4 HN ALA 4 2.109 0.247 -5.655 31 HA ALA 4 HA ALA 4 3.036 -0.141 -8.322 32 HB1 ALA 4 1HB ALA 4 2.079 -1.940 -6.139 33 HB2 ALA 4 2HB ALA 4 2.279 -2.573 -7.774 34 HB3 ALA 4 3HB ALA 4 3.656 -1.868 -6.927 35 H GLY 5 HN GLY 5 -0.127 -0.261 -6.759 36 HA2 GLY 5 1HA GLY 5 -1.509 -1.297 -9.033 37 HA3 GLY 5 2HA GLY 5 -2.244 -0.553 -7.620 38 H ALA 6 HN ALA 6 -1.174 1.973 -7.678 39 HA ALA 6 HA ALA 6 -2.784 3.231 -9.639 40 HB1 ALA 6 1HB ALA 6 -1.328 4.010 -7.318 41 HB2 ALA 6 2HB ALA 6 -0.909 5.097 -8.644 42 HB3 ALA 6 3HB ALA 6 -2.597 4.886 -8.176 43 H ALA 7 HN ALA 7 0.662 2.551 -9.412 44 HA ALA 7 HA ALA 7 1.424 4.119 -11.664 45 HB1 ALA 7 1HB ALA 7 2.899 1.766 -10.496 46 HB2 ALA 7 2HB ALA 7 3.569 3.080 -11.464 47 HB3 ALA 7 3HB ALA 7 2.964 3.401 -9.839 48 H ALA 8 HN ALA 8 0.605 0.709 -11.202 49 HA ALA 8 HA ALA 8 1.245 -0.140 -13.822 50 HB1 ALA 8 1HB ALA 8 -0.820 -1.387 -12.022 51 HB2 ALA 8 2HB ALA 8 0.131 -2.166 -13.287 52 HB3 ALA 8 3HB ALA 8 0.916 -1.612 -11.809 53 H ALA 9 HN ALA 9 -1.824 0.855 -12.330 54 HA ALA 9 HA ALA 9 -3.373 0.506 -14.686 55 HB1 ALA 9 1HB ALA 9 -5.075 1.858 -13.461 56 HB2 ALA 9 2HB ALA 9 -4.474 0.462 -12.565 57 HB3 ALA 9 3HB ALA 9 -3.893 2.080 -12.171 58 H GLY 10 HN GLY 10 -1.642 3.235 -13.275 59 HA2 GLY 10 1HA GLY 10 -2.686 5.180 -15.090 60 HA3 GLY 10 2HA GLY 10 -1.292 5.380 -14.040 61 H ALA 11 HN ALA 11 0.178 3.130 -15.060 62 HA ALA 11 HA ALA 11 1.469 4.402 -17.251 63 HB1 ALA 11 1HB ALA 11 1.854 1.566 -16.310 64 HB2 ALA 11 2HB ALA 11 2.991 2.558 -17.224 65 HB3 ALA 11 3HB ALA 11 2.606 2.970 -15.554 66 H VAL 12 HN VAL 12 -0.629 1.559 -16.967 67 HA VAL 12 HA VAL 12 -0.472 0.770 -19.674 68 HB VAL 12 HB VAL 12 -2.647 -0.426 -19.187 69 HG11 VAL 12 1HG1 VAL 12 -0.268 -0.834 -17.385 70 HG12 VAL 12 2HG1 VAL 12 -1.587 -1.993 -17.555 71 HG13 VAL 12 3HG1 VAL 12 -0.577 -1.595 -18.945 72 HG21 VAL 12 3HG2 VAL 12 -2.981 -0.518 -16.574 73 HG22 VAL 12 1HG2 VAL 12 -2.307 1.109 -16.661 74 HG23 VAL 12 2HG2 VAL 12 -3.776 0.715 -17.553 75 H VAL 13 HN VAL 13 -3.017 2.561 -17.931 76 HA VAL 13 HA VAL 13 -4.605 3.109 -20.180 77 HB VAL 13 HB VAL 13 -4.359 4.750 -17.654 78 HG11 VAL 13 1HG1 VAL 13 -5.709 6.151 -18.754 79 HG12 VAL 13 2HG1 VAL 13 -6.021 4.981 -20.038 80 HG13 VAL 13 3HG1 VAL 13 -6.953 4.919 -18.542 81 HG21 VAL 13 3HG2 VAL 13 -6.674 3.018 -17.882 82 HG22 VAL 13 1HG2 VAL 13 -5.161 2.112 -17.904 83 HG23 VAL 13 2HG2 VAL 13 -5.523 3.193 -16.559 84 H GLY 14 HN GLY 14 -1.944 4.907 -18.698 85 HA2 GLY 14 1HA GLY 14 -2.190 7.248 -20.253 86 HA3 GLY 14 2HA GLY 14 -0.734 6.716 -19.427 87 H GLY 15 HN GLY 15 -0.614 4.175 -20.874 88 HA2 GLY 15 1HA GLY 15 0.917 5.075 -23.106 89 HA3 GLY 15 2HA GLY 15 0.568 3.402 -22.694 90 H LEU 16 HN LEU 16 -2.117 3.222 -22.877 91 HA LEU 16 HA LEU 16 -2.524 3.181 -25.697 92 HB2 LEU 16 1HB LEU 16 -4.797 2.382 -25.107 93 HB3 LEU 16 2HB LEU 16 -3.493 1.453 -24.371 94 HG LEU 16 HG LEU 16 -4.179 3.394 -22.477 95 HD11 LEU 16 1HD1 LEU 16 -6.656 2.093 -23.596 96 HD12 LEU 16 2HD1 LEU 16 -6.239 3.797 -23.772 97 HD13 LEU 16 3HD1 LEU 16 -6.557 3.128 -22.171 98 HD21 LEU 16 3HD2 LEU 16 -4.847 1.502 -21.156 99 HD22 LEU 16 1HD2 LEU 16 -3.444 1.050 -22.125 100 HD23 LEU 16 2HD2 LEU 16 -5.055 0.512 -22.601 101 H GLY 17 HN GLY 17 -3.769 5.173 -23.049 102 HA2 GLY 17 1HA GLY 17 -5.602 6.653 -24.638 103 HA3 GLY 17 2HA GLY 17 -4.998 7.116 -23.054 104 H GLY 18 HN GLY 18 -2.243 7.225 -23.670 105 HA2 GLY 18 1HA GLY 18 -2.081 9.852 -24.724 106 HA3 GLY 18 2HA GLY 18 -0.720 8.807 -24.347 107 H TYR 19 HN TYR 19 -1.622 6.683 -26.147 108 HA TYR 19 HA TYR 19 -0.324 7.598 -28.509 109 HB2 TYR 19 1HB TYR 19 -0.103 5.284 -27.788 110 HB3 TYR 19 2HB TYR 19 -1.838 5.039 -27.953 111 HD1 TYR 19 HD2 TYR 19 -0.373 7.100 -30.501 112 HD2 TYR 19 HD1 TYR 19 -1.149 3.068 -29.387 113 HE1 TYR 19 HE2 TYR 19 -0.050 6.400 -32.836 114 HE2 TYR 19 HE1 TYR 19 -0.827 2.356 -31.719 115 HH TYR 19 HH TYR 19 -0.978 3.394 -33.999 116 H MET 20 HN MET 20 -3.628 6.338 -28.014 117 HA MET 20 HA MET 20 -4.655 6.934 -30.506 118 HB2 MET 20 1HB MET 20 -6.887 7.117 -29.272 119 HB3 MET 20 2HB MET 20 -5.995 5.612 -29.095 120 HG2 MET 20 1HG MET 20 -5.042 6.704 -26.958 121 HG3 MET 20 2HG MET 20 -6.410 7.803 -27.110 122 HE1 MET 20 3HE MET 20 -7.140 3.706 -28.008 123 HE2 MET 20 1HE MET 20 -5.497 4.272 -27.706 124 HE3 MET 20 2HE MET 20 -6.349 3.342 -26.473 125 H LEU 21 HN LEU 21 -5.076 8.936 -27.579 126 HA LEU 21 HA LEU 21 -6.163 11.150 -28.920 127 HB2 LEU 21 1HB LEU 21 -5.508 10.447 -26.273 128 HB3 LEU 21 2HB LEU 21 -4.692 11.974 -26.603 129 HG LEU 21 HG LEU 21 -6.813 12.426 -25.581 130 HD11 LEU 21 1HD1 LEU 21 -5.993 13.854 -27.489 131 HD12 LEU 21 2HD1 LEU 21 -7.719 13.951 -27.144 132 HD13 LEU 21 3HD1 LEU 21 -7.146 13.000 -28.514 133 HD21 LEU 21 3HD2 LEU 21 -8.728 11.341 -26.009 134 HD22 LEU 21 1HD2 LEU 21 -7.689 10.143 -26.780 135 HD23 LEU 21 2HD2 LEU 21 -8.478 11.383 -27.755 136 H GLY 22 HN GLY 22 -2.892 10.084 -28.500 137 HA2 GLY 22 1HA GLY 22 -1.633 12.594 -29.024 138 HA3 GLY 22 2HA GLY 22 -0.867 11.013 -29.086 139 H SER 23 HN SER 23 -2.089 9.690 -31.043 140 HA SER 23 HA SER 23 -1.108 10.994 -33.391 141 HB2 SER 23 1HB SER 23 -0.852 8.834 -33.942 142 HB3 SER 23 2HB SER 23 -1.907 8.322 -32.625 143 HG SER 23 HG SER 23 -3.494 8.102 -33.992 144 H ALA 24 HN ALA 24 -4.226 10.549 -31.918 145 HA ALA 24 HA ALA 24 -5.842 11.082 -34.173 146 HB1 ALA 24 1HB ALA 24 -6.646 10.060 -32.058 147 HB2 ALA 24 2HB ALA 24 -6.506 11.640 -31.286 148 HB3 ALA 24 3HB ALA 24 -7.641 11.406 -32.615 149 H MET 25 HN MET 25 -4.521 13.187 -31.639 150 HA MET 25 HA MET 25 -5.698 15.553 -32.776 151 HB2 MET 25 1HB MET 25 -4.355 14.836 -30.337 152 HB3 MET 25 2HB MET 25 -3.612 16.278 -31.018 153 HG2 MET 25 1HG MET 25 -6.216 16.912 -31.278 154 HG3 MET 25 2HG MET 25 -6.277 15.892 -29.842 155 HE1 MET 25 3HE MET 25 -6.399 16.676 -27.907 156 HE2 MET 25 1HE MET 25 -4.754 16.900 -27.309 157 HE3 MET 25 2HE MET 25 -5.903 18.236 -27.249 158 H SER 26 HN SER 26 -2.705 13.826 -33.068 159 HA SER 26 HA SER 26 -1.177 15.974 -34.163 160 HB2 SER 26 1HB SER 26 0.227 14.346 -33.334 161 HB3 SER 26 2HB SER 26 -0.817 13.026 -33.862 162 HG SER 26 HG SER 26 -0.034 13.218 -35.905 163 H ARG 27 HN ARG 27 -3.286 13.511 -35.471 164 HA ARG 27 HA ARG 27 -3.117 14.820 -38.085 165 HB2 ARG 27 1HB ARG 27 -2.900 12.770 -39.283 166 HB3 ARG 27 2HB ARG 27 -1.641 12.782 -38.054 167 HG2 ARG 27 1HG ARG 27 -3.907 11.549 -36.909 168 HG3 ARG 27 2HG ARG 27 -3.679 10.851 -38.514 169 HD2 ARG 27 1HD ARG 27 -1.354 11.182 -36.660 170 HD3 ARG 27 2HD ARG 27 -2.449 9.812 -36.477 171 HE ARG 27 HE ARG 27 -1.772 9.803 -39.122 172 HH11 ARG 27 1HH1 ARG 27 -0.005 9.723 -36.124 173 HH12 ARG 27 2HH1 ARG 27 1.313 8.806 -36.774 174 HH21 ARG 27 1HH2 ARG 27 -0.043 8.595 -39.990 175 HH22 ARG 27 2HH2 ARG 27 1.291 8.165 -38.973 Start of MODEL 2 1 H1 LYS 1 HN LYS 1 2.787 1.779 0.209 2 HA LYS 1 HA LYS 1 3.472 -0.089 -1.595 3 HB2 LYS 1 1HB LYS 1 2.420 -0.334 0.775 4 HB3 LYS 1 2HB LYS 1 0.901 -0.485 -0.098 5 HG2 LYS 1 1HG LYS 1 2.094 -2.322 -1.442 6 HG3 LYS 1 2HG LYS 1 3.277 -2.303 -0.132 7 HD2 LYS 1 1HD LYS 1 1.731 -3.980 0.452 8 HD3 LYS 1 2HD LYS 1 1.301 -2.586 1.447 9 HE2 LYS 1 1HE LYS 1 -0.092 -2.450 -1.050 10 HE3 LYS 1 2HE LYS 1 -0.345 -4.036 -0.324 11 HZ1 LYS 1 3HZ LYS 1 -0.638 -2.302 1.756 12 HZ2 LYS 1 1HZ LYS 1 -1.894 -3.042 0.898 13 HZ3 LYS 1 2HZ LYS 1 -1.378 -1.490 0.469 14 H HIS 2 HN HIS 2 0.574 1.859 -1.701 15 HA HIS 2 HA HIS 2 -0.722 0.347 -3.752 16 HB2 HIS 2 1HB HIS 2 -1.244 2.801 -2.235 17 HB3 HIS 2 2HB HIS 2 -1.812 2.871 -3.901 18 HD1 HIS 2 HD1 HIS 2 -4.057 1.906 -4.292 19 HD2 HIS 2 HD2 HIS 2 -2.299 0.390 -0.847 20 HE1 HIS 2 HE1 HIS 2 -5.805 0.439 -3.235 21 H MET 3 HN MET 3 2.049 2.048 -3.858 22 HA MET 3 HA MET 3 1.775 3.660 -6.158 23 HB2 MET 3 1HB MET 3 4.296 3.413 -6.281 24 HB3 MET 3 2HB MET 3 3.656 4.061 -4.777 25 HG2 MET 3 1HG MET 3 4.826 2.523 -3.705 26 HG3 MET 3 2HG MET 3 3.748 1.308 -4.389 27 HE1 MET 3 3HE MET 3 4.231 -0.368 -5.430 28 HE2 MET 3 1HE MET 3 5.111 -0.381 -6.959 29 HE3 MET 3 2HE MET 3 5.882 -0.986 -5.493 30 H ALA 4 HN ALA 4 2.267 0.249 -5.706 31 HA ALA 4 HA ALA 4 3.213 -0.330 -8.328 32 HB1 ALA 4 1HB ALA 4 3.368 -2.455 -7.611 33 HB2 ALA 4 2HB ALA 4 3.084 -1.742 -6.023 34 HB3 ALA 4 3HB ALA 4 1.744 -2.453 -6.923 35 H GLY 5 HN GLY 5 0.015 -0.276 -6.818 36 HA2 GLY 5 1HA GLY 5 -1.352 -1.337 -9.092 37 HA3 GLY 5 2HA GLY 5 -2.093 -0.542 -7.710 38 H ALA 6 HN ALA 6 -0.936 1.952 -7.812 39 HA ALA 6 HA ALA 6 -2.492 3.216 -9.809 40 HB1 ALA 6 1HB ALA 6 -1.009 4.002 -7.509 41 HB2 ALA 6 2HB ALA 6 -0.544 5.034 -8.862 42 HB3 ALA 6 3HB ALA 6 -2.240 4.904 -8.394 43 H ALA 7 HN ALA 7 0.928 2.417 -9.565 44 HA ALA 7 HA ALA 7 1.741 3.893 -11.860 45 HB1 ALA 7 1HB ALA 7 3.848 2.774 -11.637 46 HB2 ALA 7 2HB ALA 7 3.265 3.187 -10.024 47 HB3 ALA 7 3HB ALA 7 3.132 1.529 -10.612 48 H ALA 8 HN ALA 8 0.809 0.528 -11.300 49 HA ALA 8 HA ALA 8 1.415 -0.419 -13.893 50 HB1 ALA 8 1HB ALA 8 1.037 -1.819 -11.839 51 HB2 ALA 8 2HB ALA 8 -0.691 -1.540 -12.059 52 HB3 ALA 8 3HB ALA 8 0.230 -2.387 -13.301 53 H ALA 9 HN ALA 9 -1.617 0.725 -12.434 54 HA ALA 9 HA ALA 9 -3.180 0.362 -14.777 55 HB1 ALA 9 1HB ALA 9 -4.165 0.462 -12.538 56 HB2 ALA 9 2HB ALA 9 -3.697 2.158 -12.410 57 HB3 ALA 9 3HB ALA 9 -4.881 1.659 -13.618 58 H GLY 10 HN GLY 10 -1.344 3.067 -13.459 59 HA2 GLY 10 1HA GLY 10 -2.318 4.989 -15.338 60 HA3 GLY 10 2HA GLY 10 -0.918 5.173 -14.293 61 H ALA 11 HN ALA 11 0.471 2.839 -15.234 62 HA ALA 11 HA ALA 11 1.809 3.989 -17.464 63 HB1 ALA 11 1HB ALA 11 2.059 1.242 -16.244 64 HB2 ALA 11 2HB ALA 11 3.161 1.931 -17.437 65 HB3 ALA 11 3HB ALA 11 3.020 2.665 -15.839 66 H VAL 12 HN VAL 12 -0.385 1.229 -17.090 67 HA VAL 12 HA VAL 12 -0.258 0.352 -19.771 68 HB VAL 12 HB VAL 12 -2.478 -0.750 -19.244 69 HG11 VAL 12 1HG1 VAL 12 -0.098 -1.198 -17.451 70 HG12 VAL 12 2HG1 VAL 12 -1.460 -2.313 -17.581 71 HG13 VAL 12 3HG1 VAL 12 -0.449 -1.987 -18.989 72 HG21 VAL 12 3HG2 VAL 12 -2.101 0.895 -16.811 73 HG22 VAL 12 1HG2 VAL 12 -3.583 0.389 -17.622 74 HG23 VAL 12 2HG2 VAL 12 -2.716 -0.742 -16.583 75 H VAL 13 HN VAL 13 -2.742 2.277 -18.084 76 HA VAL 13 HA VAL 13 -4.316 2.807 -20.345 77 HB VAL 13 HB VAL 13 -4.006 4.509 -17.867 78 HG11 VAL 13 1HG1 VAL 13 -6.591 4.757 -18.777 79 HG12 VAL 13 2HG1 VAL 13 -5.299 5.939 -18.995 80 HG13 VAL 13 3HG1 VAL 13 -5.641 4.760 -20.262 81 HG21 VAL 13 3HG2 VAL 13 -6.163 2.486 -18.395 82 HG22 VAL 13 1HG2 VAL 13 -4.657 2.058 -17.583 83 HG23 VAL 13 2HG2 VAL 13 -5.730 3.263 -16.872 84 H GLY 14 HN GLY 14 -1.591 4.561 -18.929 85 HA2 GLY 14 1HA GLY 14 -1.764 6.858 -20.559 86 HA3 GLY 14 2HA GLY 14 -0.323 6.304 -19.719 87 H GLY 15 HN GLY 15 -0.291 3.715 -21.081 88 HA2 GLY 15 1HA GLY 15 1.261 4.489 -23.345 89 HA3 GLY 15 2HA GLY 15 0.859 2.844 -22.877 90 H LEU 16 HN LEU 16 -1.831 2.745 -23.049 91 HA LEU 16 HA LEU 16 -2.248 2.625 -25.864 92 HB2 LEU 16 1HB LEU 16 -4.545 1.922 -25.243 93 HB3 LEU 16 2HB LEU 16 -3.269 0.974 -24.480 94 HG LEU 16 HG LEU 16 -3.884 2.999 -22.650 95 HD11 LEU 16 1HD1 LEU 16 -5.935 3.424 -23.949 96 HD12 LEU 16 2HD1 LEU 16 -6.269 2.816 -22.328 97 HD13 LEU 16 3HD1 LEU 16 -6.406 1.740 -23.719 98 HD21 LEU 16 3HD2 LEU 16 -4.853 0.144 -22.674 99 HD22 LEU 16 1HD2 LEU 16 -4.606 1.174 -21.264 100 HD23 LEU 16 2HD2 LEU 16 -3.223 0.644 -22.222 101 H GLY 17 HN GLY 17 -3.418 4.743 -23.281 102 HA2 GLY 17 1HA GLY 17 -5.207 6.229 -24.915 103 HA3 GLY 17 2HA GLY 17 -4.583 6.725 -23.348 104 H GLY 18 HN GLY 18 -1.828 6.722 -23.975 105 HA2 GLY 18 1HA GLY 18 -1.584 9.307 -25.115 106 HA3 GLY 18 2HA GLY 18 -0.256 8.230 -24.707 107 H TYR 19 HN TYR 19 -1.233 6.079 -26.433 108 HA TYR 19 HA TYR 19 0.086 6.871 -28.828 109 HB2 TYR 19 1HB TYR 19 0.233 4.577 -28.030 110 HB3 TYR 19 2HB TYR 19 -1.509 4.383 -28.183 111 HD1 TYR 19 HD1 TYR 19 0.014 6.311 -30.801 112 HD2 TYR 19 HD2 TYR 19 -0.891 2.345 -29.554 113 HE1 TYR 19 HE1 TYR 19 0.308 5.524 -33.112 114 HE2 TYR 19 HE2 TYR 19 -0.598 1.547 -31.861 115 HH TYR 19 HH TYR 19 -0.351 3.678 -34.526 116 H MET 20 HN MET 20 -3.256 5.737 -28.282 117 HA MET 20 HA MET 20 -4.272 6.283 -30.791 118 HB2 MET 20 1HB MET 20 -6.492 6.579 -29.559 119 HB3 MET 20 2HB MET 20 -5.649 5.052 -29.333 120 HG2 MET 20 1HG MET 20 -4.654 6.185 -27.236 121 HG3 MET 20 2HG MET 20 -5.987 7.321 -27.422 122 HE1 MET 20 3HE MET 20 -5.187 3.744 -27.900 123 HE2 MET 20 1HE MET 20 -6.071 2.881 -26.641 124 HE3 MET 20 2HE MET 20 -6.849 3.226 -28.186 125 H LEU 21 HN LEU 21 -4.618 8.394 -27.931 126 HA LEU 21 HA LEU 21 -5.638 10.596 -29.341 127 HB2 LEU 21 1HB LEU 21 -4.999 9.960 -26.675 128 HB3 LEU 21 2HB LEU 21 -4.130 11.445 -27.055 129 HG LEU 21 HG LEU 21 -6.312 12.434 -27.787 130 HD11 LEU 21 1HD1 LEU 21 -7.223 9.877 -27.789 131 HD12 LEU 21 2HD1 LEU 21 -8.250 11.309 -27.738 132 HD13 LEU 21 3HD1 LEU 21 -7.841 10.465 -26.245 133 HD21 LEU 21 3HD2 LEU 21 -6.294 11.484 -24.927 134 HD22 LEU 21 1HD2 LEU 21 -7.035 12.950 -25.569 135 HD23 LEU 21 2HD2 LEU 21 -5.278 12.789 -25.542 136 H GLY 22 HN GLY 22 -2.401 9.439 -28.894 137 HA2 GLY 22 1HA GLY 22 -1.063 11.888 -29.505 138 HA3 GLY 22 2HA GLY 22 -0.349 10.282 -29.516 139 H SER 23 HN SER 23 -1.620 8.935 -31.425 140 HA SER 23 HA SER 23 -0.606 10.128 -33.818 141 HB2 SER 23 1HB SER 23 -0.423 7.945 -34.298 142 HB3 SER 23 2HB SER 23 -1.487 7.511 -32.961 143 HG SER 23 HG SER 23 -2.753 6.932 -34.553 144 H ALA 24 HN ALA 24 -3.732 9.834 -32.323 145 HA ALA 24 HA ALA 24 -5.337 10.344 -34.590 146 HB1 ALA 24 1HB ALA 24 -6.166 9.419 -32.439 147 HB2 ALA 24 2HB ALA 24 -5.973 11.020 -31.722 148 HB3 ALA 24 3HB ALA 24 -7.119 10.776 -33.040 149 H MET 25 HN MET 25 -3.940 12.488 -32.130 150 HA MET 25 HA MET 25 -5.044 14.852 -33.342 151 HB2 MET 25 1HB MET 25 -3.714 14.173 -30.884 152 HB3 MET 25 2HB MET 25 -2.930 15.568 -31.614 153 HG2 MET 25 1HG MET 25 -4.676 16.920 -31.227 154 HG3 MET 25 2HG MET 25 -5.862 15.665 -31.583 155 HE1 MET 25 3HE MET 25 -3.715 16.624 -27.730 156 HE2 MET 25 1HE MET 25 -3.117 15.098 -28.380 157 HE3 MET 25 2HE MET 25 -3.040 16.563 -29.359 158 H SER 26 HN SER 26 -2.109 13.020 -33.584 159 HA SER 26 HA SER 26 -0.516 15.081 -34.753 160 HB2 SER 26 1HB SER 26 0.609 13.245 -33.681 161 HB3 SER 26 2HB SER 26 -0.218 12.071 -34.704 162 HG SER 26 HG SER 26 1.001 12.681 -36.410 163 H ARG 27 HN ARG 27 -2.709 12.646 -35.974 164 HA ARG 27 HA ARG 27 -3.497 12.172 -38.057 165 HB2 ARG 27 1HB ARG 27 -2.940 15.119 -38.213 166 HB3 ARG 27 2HB ARG 27 -3.558 14.249 -39.610 167 HG2 ARG 27 1HG ARG 27 -5.555 14.807 -38.765 168 HG3 ARG 27 2HG ARG 27 -5.286 13.421 -37.707 169 HD2 ARG 27 1HD ARG 27 -4.601 14.776 -35.922 170 HD3 ARG 27 2HD ARG 27 -4.334 16.169 -36.969 171 HE ARG 27 HE ARG 27 -7.045 15.457 -37.077 172 HH11 ARG 27 1HH1 ARG 27 -4.718 16.801 -34.864 173 HH12 ARG 27 2HH1 ARG 27 -5.892 17.719 -33.981 174 HH21 ARG 27 1HH2 ARG 27 -8.601 16.661 -35.922 175 HH22 ARG 27 2HH2 ARG 27 -8.101 17.638 -34.584 Start of MODEL 3 1 H1 LYS 1 HN LYS 1 3.019 1.468 0.181 2 HA LYS 1 HA LYS 1 3.433 -0.536 -1.542 3 HB2 LYS 1 1HB LYS 1 1.637 -1.799 -0.469 4 HB3 LYS 1 2HB LYS 1 2.538 -0.866 0.719 5 HG2 LYS 1 1HG LYS 1 0.473 -0.333 1.434 6 HG3 LYS 1 2HG LYS 1 0.591 0.889 0.166 7 HD2 LYS 1 1HD LYS 1 -1.422 -0.027 -0.393 8 HD3 LYS 1 2HD LYS 1 -0.360 -1.094 -1.316 9 HE2 LYS 1 1HE LYS 1 -0.966 -1.843 1.491 10 HE3 LYS 1 2HE LYS 1 -2.258 -2.018 0.305 11 HZ1 LYS 1 3HZ LYS 1 -0.116 -3.737 0.766 12 HZ2 LYS 1 1HZ LYS 1 0.121 -3.061 -0.768 13 HZ3 LYS 1 2HZ LYS 1 -1.321 -3.873 -0.414 14 H HIS 2 HN HIS 2 0.685 1.665 -1.657 15 HA HIS 2 HA HIS 2 -0.653 0.288 -3.775 16 HB2 HIS 2 1HB HIS 2 -1.005 2.875 -2.341 17 HB3 HIS 2 2HB HIS 2 -1.759 2.710 -3.924 18 HD1 HIS 2 HD1 HIS 2 -2.853 -0.085 -3.862 19 HD2 HIS 2 HD2 HIS 2 -3.011 2.458 -0.580 20 HE1 HIS 2 HE1 HIS 2 -4.734 -0.947 -2.433 21 H MET 3 HN MET 3 2.206 1.838 -3.786 22 HA MET 3 HA MET 3 2.052 3.531 -6.042 23 HB2 MET 3 1HB MET 3 4.564 3.155 -6.126 24 HB3 MET 3 2HB MET 3 3.924 3.812 -4.625 25 HG2 MET 3 1HG MET 3 4.972 2.197 -3.544 26 HG3 MET 3 2HG MET 3 3.872 1.044 -4.296 27 HE1 MET 3 3HE MET 3 5.902 -1.210 -4.695 28 HE2 MET 3 1HE MET 3 4.376 -0.675 -5.399 29 HE3 MET 3 2HE MET 3 5.749 -1.041 -6.444 30 H ALA 4 HN ALA 4 2.498 0.085 -5.667 31 HA ALA 4 HA ALA 4 3.380 -0.419 -8.330 32 HB1 ALA 4 1HB ALA 4 2.398 -2.110 -6.075 33 HB2 ALA 4 2HB ALA 4 2.538 -2.805 -7.690 34 HB3 ALA 4 3HB ALA 4 3.959 -2.125 -6.896 35 H GLY 5 HN GLY 5 0.234 -0.382 -6.730 36 HA2 GLY 5 1HA GLY 5 -1.210 -1.442 -8.954 37 HA3 GLY 5 2HA GLY 5 -1.902 -0.629 -7.558 38 H ALA 6 HN ALA 6 -0.748 1.856 -7.708 39 HA ALA 6 HA ALA 6 -2.339 3.105 -9.691 40 HB1 ALA 6 1HB ALA 6 -0.390 4.936 -8.777 41 HB2 ALA 6 2HB ALA 6 -2.078 4.799 -8.285 42 HB3 ALA 6 3HB ALA 6 -0.830 3.908 -7.413 43 H ALA 7 HN ALA 7 1.085 2.316 -9.480 44 HA ALA 7 HA ALA 7 1.871 3.785 -11.789 45 HB1 ALA 7 1HB ALA 7 3.281 1.422 -10.563 46 HB2 ALA 7 2HB ALA 7 3.982 2.681 -11.580 47 HB3 ALA 7 3HB ALA 7 3.409 3.074 -9.959 48 H ALA 8 HN ALA 8 0.945 0.421 -11.209 49 HA ALA 8 HA ALA 8 1.524 -0.532 -13.807 50 HB1 ALA 8 1HB ALA 8 1.172 -1.927 -11.744 51 HB2 ALA 8 2HB ALA 8 -0.559 -1.652 -11.945 52 HB3 ALA 8 3HB ALA 8 0.350 -2.501 -13.195 53 H ALA 9 HN ALA 9 -1.492 0.614 -12.314 54 HA ALA 9 HA ALA 9 -3.080 0.242 -14.641 55 HB1 ALA 9 1HB ALA 9 -4.748 1.615 -13.454 56 HB2 ALA 9 2HB ALA 9 -4.102 0.316 -12.451 57 HB3 ALA 9 3HB ALA 9 -3.545 1.973 -12.216 58 H GLY 10 HN GLY 10 -1.242 2.954 -13.338 59 HA2 GLY 10 1HA GLY 10 -2.242 4.875 -15.203 60 HA3 GLY 10 2HA GLY 10 -0.829 5.061 -14.175 61 H ALA 11 HN ALA 11 0.552 2.730 -15.139 62 HA ALA 11 HA ALA 11 1.858 3.888 -17.383 63 HB1 ALA 11 1HB ALA 11 2.961 2.469 -15.648 64 HB2 ALA 11 2HB ALA 11 2.162 1.069 -16.364 65 HB3 ALA 11 3HB ALA 11 3.321 2.002 -17.311 66 H VAL 12 HN VAL 12 -0.330 1.129 -16.985 67 HA VAL 12 HA VAL 12 -0.233 0.249 -19.667 68 HB VAL 12 HB VAL 12 -2.442 -0.856 -19.118 69 HG11 VAL 12 1HG1 VAL 12 -1.415 -2.404 -17.445 70 HG12 VAL 12 2HG1 VAL 12 -0.411 -2.089 -18.862 71 HG13 VAL 12 3HG1 VAL 12 -0.055 -1.287 -17.331 72 HG21 VAL 12 3HG2 VAL 12 -3.510 0.374 -17.508 73 HG22 VAL 12 1HG2 VAL 12 -2.746 -0.855 -16.501 74 HG23 VAL 12 2HG2 VAL 12 -2.018 0.745 -16.644 75 H VAL 13 HN VAL 13 -2.696 2.180 -17.954 76 HA VAL 13 HA VAL 13 -4.291 2.710 -20.202 77 HB VAL 13 HB VAL 13 -3.961 4.421 -17.733 78 HG11 VAL 13 1HG1 VAL 13 -5.596 4.675 -20.112 79 HG12 VAL 13 2HG1 VAL 13 -6.570 4.607 -18.642 80 HG13 VAL 13 3HG1 VAL 13 -5.309 5.829 -18.811 81 HG21 VAL 13 3HG2 VAL 13 -6.335 2.762 -17.879 82 HG22 VAL 13 1HG2 VAL 13 -4.853 1.804 -17.890 83 HG23 VAL 13 2HG2 VAL 13 -5.160 2.939 -16.575 84 H GLY 14 HN GLY 14 -1.554 4.462 -18.807 85 HA2 GLY 14 1HA GLY 14 -1.740 6.761 -20.433 86 HA3 GLY 14 2HA GLY 14 -0.292 6.205 -19.607 87 H GLY 15 HN GLY 15 -0.275 3.618 -20.973 88 HA2 GLY 15 1HA GLY 15 1.258 4.395 -23.250 89 HA3 GLY 15 2HA GLY 15 0.858 2.749 -22.780 90 H LEU 16 HN LEU 16 -1.834 2.654 -22.929 91 HA LEU 16 HA LEU 16 -2.276 2.538 -25.740 92 HB2 LEU 16 1HB LEU 16 -4.567 1.836 -25.101 93 HB3 LEU 16 2HB LEU 16 -3.286 0.886 -24.349 94 HG LEU 16 HG LEU 16 -3.883 2.909 -22.511 95 HD11 LEU 16 1HD1 LEU 16 -5.944 3.340 -23.795 96 HD12 LEU 16 2HD1 LEU 16 -6.266 2.732 -22.171 97 HD13 LEU 16 3HD1 LEU 16 -6.417 1.657 -23.561 98 HD21 LEU 16 3HD2 LEU 16 -4.599 1.082 -21.124 99 HD22 LEU 16 1HD2 LEU 16 -3.224 0.553 -22.092 100 HD23 LEU 16 2HD2 LEU 16 -4.857 0.055 -22.534 101 H GLY 17 HN GLY 17 -3.421 4.654 -23.144 102 HA2 GLY 17 1HA GLY 17 -5.223 6.144 -24.759 103 HA3 GLY 17 2HA GLY 17 -4.584 6.636 -23.197 104 H GLY 18 HN GLY 18 -1.835 6.632 -23.847 105 HA2 GLY 18 1HA GLY 18 -1.598 9.218 -24.985 106 HA3 GLY 18 2HA GLY 18 -0.268 8.140 -24.590 107 H TYR 19 HN TYR 19 -1.263 5.992 -26.312 108 HA TYR 19 HA TYR 19 0.037 6.787 -28.716 109 HB2 TYR 19 1HB TYR 19 0.188 4.492 -27.924 110 HB3 TYR 19 2HB TYR 19 -1.556 4.300 -28.062 111 HD1 TYR 19 HD2 TYR 19 -0.053 6.230 -30.690 112 HD2 TYR 19 HD1 TYR 19 -0.950 2.263 -29.441 113 HE1 TYR 19 HE2 TYR 19 0.218 5.446 -33.005 114 HE2 TYR 19 HE1 TYR 19 -0.680 1.467 -31.752 115 HH TYR 19 HH TYR 19 0.365 2.107 -33.809 116 H MET 20 HN MET 20 -3.302 5.656 -28.145 117 HA MET 20 HA MET 20 -4.338 6.208 -30.643 118 HB2 MET 20 1HB MET 20 -6.547 6.506 -29.391 119 HB3 MET 20 2HB MET 20 -5.705 4.977 -29.176 120 HG2 MET 20 1HG MET 20 -4.689 6.103 -27.085 121 HG3 MET 20 2HG MET 20 -6.022 7.243 -27.257 122 HE1 MET 20 3HE MET 20 -5.234 3.667 -27.751 123 HE2 MET 20 1HE MET 20 -6.100 2.804 -26.479 124 HE3 MET 20 2HE MET 20 -6.899 3.146 -28.014 125 H LEU 21 HN LEU 21 -4.657 8.315 -27.777 126 HA LEU 21 HA LEU 21 -5.685 10.521 -29.175 127 HB2 LEU 21 1HB LEU 21 -5.021 9.880 -26.515 128 HB3 LEU 21 2HB LEU 21 -4.159 11.367 -26.902 129 HG LEU 21 HG LEU 21 -6.239 11.945 -25.880 130 HD11 LEU 21 1HD1 LEU 21 -5.388 13.022 -28.160 131 HD12 LEU 21 2HD1 LEU 21 -6.858 13.558 -27.348 132 HD13 LEU 21 3HD1 LEU 21 -6.960 12.441 -28.708 133 HD21 LEU 21 3HD2 LEU 21 -7.201 9.656 -27.246 134 HD22 LEU 21 1HD2 LEU 21 -8.154 11.042 -27.777 135 HD23 LEU 21 2HD2 LEU 21 -8.037 10.659 -26.059 136 H GLY 22 HN GLY 22 -2.447 9.358 -28.758 137 HA2 GLY 22 1HA GLY 22 -1.110 11.806 -29.375 138 HA3 GLY 22 2HA GLY 22 -0.399 10.200 -29.395 139 H SER 23 HN SER 23 -1.688 8.858 -31.295 140 HA SER 23 HA SER 23 -0.692 10.054 -33.695 141 HB2 SER 23 1HB SER 23 -0.516 7.871 -34.181 142 HB3 SER 23 2HB SER 23 -1.570 7.436 -32.835 143 HG SER 23 HG SER 23 -3.341 7.697 -34.163 144 H ALA 24 HN ALA 24 -3.806 9.761 -32.174 145 HA ALA 24 HA ALA 24 -5.430 10.277 -34.426 146 HB1 ALA 24 1HB ALA 24 -6.038 10.949 -31.552 147 HB2 ALA 24 2HB ALA 24 -7.197 10.711 -32.860 148 HB3 ALA 24 3HB ALA 24 -6.242 9.351 -32.270 149 H MET 25 HN MET 25 -4.008 12.415 -31.976 150 HA MET 25 HA MET 25 -5.119 14.783 -33.174 151 HB2 MET 25 1HB MET 25 -3.770 14.098 -30.729 152 HB3 MET 25 2HB MET 25 -2.990 15.492 -31.463 153 HG2 MET 25 1HG MET 25 -4.816 16.829 -31.208 154 HG3 MET 25 2HG MET 25 -5.950 15.482 -31.280 155 HE1 MET 25 3HE MET 25 -3.422 16.756 -27.686 156 HE2 MET 25 1HE MET 25 -2.802 15.387 -28.609 157 HE3 MET 25 2HE MET 25 -3.036 16.947 -29.396 158 H SER 26 HN SER 26 -2.189 12.947 -33.444 159 HA SER 26 HA SER 26 -0.603 15.007 -34.623 160 HB2 SER 26 1HB SER 26 0.773 13.372 -33.780 161 HB3 SER 26 2HB SER 26 -0.337 12.069 -34.203 162 HG SER 26 HG SER 26 0.391 12.107 -36.269 163 H ARG 27 HN ARG 27 -2.809 12.576 -35.829 164 HA ARG 27 HA ARG 27 -3.593 12.088 -37.913 165 HB2 ARG 27 1HB ARG 27 -3.059 15.046 -38.142 166 HB3 ARG 27 2HB ARG 27 -3.826 14.124 -39.429 167 HG2 ARG 27 1HG ARG 27 -5.793 14.086 -38.382 168 HG3 ARG 27 2HG ARG 27 -5.059 13.707 -36.822 169 HD2 ARG 27 1HD ARG 27 -5.780 15.787 -36.309 170 HD3 ARG 27 2HD ARG 27 -4.265 16.254 -37.080 171 HE ARG 27 HE ARG 27 -6.452 16.075 -38.922 172 HH11 ARG 27 1HH1 ARG 27 -4.859 18.114 -36.593 173 HH12 ARG 27 2HH1 ARG 27 -5.429 19.589 -37.301 174 HH21 ARG 27 1HH2 ARG 27 -7.209 18.010 -39.863 175 HH22 ARG 27 2HH2 ARG 27 -6.766 19.529 -39.161 Start of MODEL 4 1 H1 LYS 1 HN LYS 1 3.813 0.945 -0.542 2 HA LYS 1 HA LYS 1 3.337 -1.363 -1.705 3 HB2 LYS 1 1HB LYS 1 2.493 -0.546 0.574 4 HB3 LYS 1 2HB LYS 1 1.029 -0.061 -0.272 5 HG2 LYS 1 1HG LYS 1 1.955 -2.836 -0.697 6 HG3 LYS 1 2HG LYS 1 1.311 -2.437 0.898 7 HD2 LYS 1 1HD LYS 1 -0.129 -1.812 -1.674 8 HD3 LYS 1 2HD LYS 1 -0.368 -3.309 -0.768 9 HE2 LYS 1 1HE LYS 1 -1.434 -2.250 0.963 10 HE3 LYS 1 2HE LYS 1 -0.605 -0.720 0.681 11 HZ1 LYS 1 3HZ LYS 1 -2.037 -0.969 -1.563 12 HZ2 LYS 1 1HZ LYS 1 -2.568 -0.130 -0.193 13 HZ3 LYS 1 2HZ LYS 1 -3.070 -1.723 -0.456 14 H HIS 2 HN HIS 2 0.730 1.067 -1.877 15 HA HIS 2 HA HIS 2 -0.519 -0.258 -4.081 16 HB2 HIS 2 1HB HIS 2 -1.626 1.205 -2.269 17 HB3 HIS 2 2HB HIS 2 -1.088 2.575 -3.236 18 HD1 HIS 2 HD1 HIS 2 -2.726 3.348 -4.913 19 HD2 HIS 2 HD2 HIS 2 -3.283 -0.654 -3.944 20 HE1 HIS 2 HE1 HIS 2 -4.769 2.625 -6.189 21 H MET 3 HN MET 3 2.241 1.460 -3.983 22 HA MET 3 HA MET 3 1.987 3.273 -6.134 23 HB2 MET 3 1HB MET 3 4.518 3.056 -6.227 24 HB3 MET 3 2HB MET 3 3.836 3.583 -4.694 25 HG2 MET 3 1HG MET 3 4.976 1.972 -3.703 26 HG3 MET 3 2HG MET 3 3.953 0.801 -4.532 27 HE1 MET 3 3HE MET 3 5.962 -1.028 -6.791 28 HE2 MET 3 1HE MET 3 6.120 -1.296 -5.055 29 HE3 MET 3 2HE MET 3 4.566 -0.812 -5.734 30 H ALA 4 HN ALA 4 2.644 -0.155 -5.964 31 HA ALA 4 HA ALA 4 3.559 -0.444 -8.648 32 HB1 ALA 4 1HB ALA 4 2.867 -2.911 -8.159 33 HB2 ALA 4 2HB ALA 4 4.239 -2.193 -7.312 34 HB3 ALA 4 3HB ALA 4 2.676 -2.326 -6.505 35 H GLY 5 HN GLY 5 0.414 -0.695 -7.064 36 HA2 GLY 5 1HA GLY 5 -0.958 -1.707 -9.356 37 HA3 GLY 5 2HA GLY 5 -1.701 -1.022 -7.917 38 H ALA 6 HN ALA 6 -0.702 1.533 -7.913 39 HA ALA 6 HA ALA 6 -2.363 2.799 -9.826 40 HB1 ALA 6 1HB ALA 6 -2.210 4.417 -8.320 41 HB2 ALA 6 2HB ALA 6 -0.910 3.555 -7.496 42 HB3 ALA 6 3HB ALA 6 -0.533 4.688 -8.794 43 H ALA 7 HN ALA 7 1.102 2.210 -9.644 44 HA ALA 7 HA ALA 7 1.801 3.859 -11.858 45 HB1 ALA 7 1HB ALA 7 3.975 2.877 -11.704 46 HB2 ALA 7 2HB ALA 7 3.377 3.135 -10.065 47 HB3 ALA 7 3HB ALA 7 3.352 1.518 -10.768 48 H ALA 8 HN ALA 8 1.082 0.417 -11.485 49 HA ALA 8 HA ALA 8 1.723 -0.341 -14.131 50 HB1 ALA 8 1HB ALA 8 -0.292 -1.696 -12.352 51 HB2 ALA 8 2HB ALA 8 0.671 -2.412 -13.645 52 HB3 ALA 8 3HB ALA 8 1.452 -1.877 -12.157 53 H ALA 9 HN ALA 9 -1.360 0.526 -12.588 54 HA ALA 9 HA ALA 9 -2.919 0.198 -14.942 55 HB1 ALA 9 1HB ALA 9 -4.620 1.542 -13.644 56 HB2 ALA 9 2HB ALA 9 -4.055 0.058 -12.875 57 HB3 ALA 9 3HB ALA 9 -3.433 1.620 -12.342 58 H GLY 10 HN GLY 10 -1.252 2.934 -13.469 59 HA2 GLY 10 1HA GLY 10 -2.366 4.898 -15.222 60 HA3 GLY 10 2HA GLY 10 -0.968 5.109 -14.177 61 H ALA 11 HN ALA 11 0.555 2.930 -15.271 62 HA ALA 11 HA ALA 11 1.791 4.297 -17.435 63 HB1 ALA 11 1HB ALA 11 2.264 1.446 -16.583 64 HB2 ALA 11 2HB ALA 11 3.366 2.501 -17.469 65 HB3 ALA 11 3HB ALA 11 2.978 2.848 -15.784 66 H VAL 12 HN VAL 12 -0.224 1.390 -17.214 67 HA VAL 12 HA VAL 12 -0.069 0.680 -19.943 68 HB VAL 12 HB VAL 12 -2.206 -0.589 -19.473 69 HG11 VAL 12 1HG1 VAL 12 0.200 -0.979 -17.702 70 HG12 VAL 12 2HG1 VAL 12 -1.089 -2.170 -17.892 71 HG13 VAL 12 3HG1 VAL 12 -0.103 -1.707 -19.279 72 HG21 VAL 12 3HG2 VAL 12 -2.516 -0.762 -16.861 73 HG22 VAL 12 1HG2 VAL 12 -1.886 0.884 -16.907 74 HG23 VAL 12 2HG2 VAL 12 -3.352 0.475 -17.799 75 H VAL 13 HN VAL 13 -2.648 2.351 -18.132 76 HA VAL 13 HA VAL 13 -4.270 2.916 -20.351 77 HB VAL 13 HB VAL 13 -4.048 4.493 -17.784 78 HG11 VAL 13 1HG1 VAL 13 -6.480 4.996 -18.348 79 HG12 VAL 13 2HG1 VAL 13 -5.250 5.818 -19.309 80 HG13 VAL 13 3HG1 VAL 13 -6.104 4.425 -19.973 81 HG21 VAL 13 3HG2 VAL 13 -6.316 2.704 -18.041 82 HG22 VAL 13 1HG2 VAL 13 -4.779 1.841 -18.100 83 HG23 VAL 13 2HG2 VAL 13 -5.158 2.875 -16.722 84 H GLY 14 HN GLY 14 -1.647 4.746 -18.841 85 HA2 GLY 14 1HA GLY 14 -1.971 7.121 -20.329 86 HA3 GLY 14 2HA GLY 14 -0.493 6.607 -19.530 87 H GLY 15 HN GLY 15 -0.316 4.111 -21.048 88 HA2 GLY 15 1HA GLY 15 1.170 5.114 -23.266 89 HA3 GLY 15 2HA GLY 15 0.871 3.422 -22.897 90 H LEU 16 HN LEU 16 -1.809 3.172 -23.065 91 HA LEU 16 HA LEU 16 -2.239 3.197 -25.881 92 HB2 LEU 16 1HB LEU 16 -4.484 2.320 -25.295 93 HB3 LEU 16 2HB LEU 16 -3.149 1.407 -24.596 94 HG LEU 16 HG LEU 16 -3.871 3.276 -22.644 95 HD11 LEU 16 1HD1 LEU 16 -6.321 1.937 -23.779 96 HD12 LEU 16 2HD1 LEU 16 -5.953 3.656 -23.909 97 HD13 LEU 16 3HD1 LEU 16 -6.239 2.934 -22.326 98 HD21 LEU 16 3HD2 LEU 16 -3.069 0.944 -22.361 99 HD22 LEU 16 1HD2 LEU 16 -4.669 0.375 -22.840 100 HD23 LEU 16 2HD2 LEU 16 -4.477 1.330 -21.370 101 H GLY 17 HN GLY 17 -3.516 5.080 -23.169 102 HA2 GLY 17 1HA GLY 17 -5.403 6.552 -24.702 103 HA3 GLY 17 2HA GLY 17 -4.798 6.988 -23.111 104 H GLY 18 HN GLY 18 -2.052 7.190 -23.745 105 HA2 GLY 18 1HA GLY 18 -1.972 9.849 -24.726 106 HA3 GLY 18 2HA GLY 18 -0.579 8.832 -24.389 107 H TYR 19 HN TYR 19 -1.439 6.735 -26.240 108 HA TYR 19 HA TYR 19 -0.186 7.750 -28.587 109 HB2 TYR 19 1HB TYR 19 0.104 5.424 -27.932 110 HB3 TYR 19 2HB TYR 19 -1.625 5.135 -28.089 111 HD1 TYR 19 HD2 TYR 19 -0.239 7.306 -30.591 112 HD2 TYR 19 HD1 TYR 19 -0.893 3.225 -29.584 113 HE1 TYR 19 HE2 TYR 19 0.084 6.679 -32.947 114 HE2 TYR 19 HE1 TYR 19 -0.571 2.586 -31.937 115 HH TYR 19 HH TYR 19 0.560 4.860 -34.319 116 H MET 20 HN MET 20 -3.450 6.385 -28.101 117 HA MET 20 HA MET 20 -4.515 7.020 -30.567 118 HB2 MET 20 1HB MET 20 -6.740 7.107 -29.311 119 HB3 MET 20 2HB MET 20 -5.805 5.623 -29.183 120 HG2 MET 20 1HG MET 20 -4.864 6.682 -27.024 121 HG3 MET 20 2HG MET 20 -6.264 7.747 -27.135 122 HE1 MET 20 3HE MET 20 -6.074 3.272 -26.623 123 HE2 MET 20 1HE MET 20 -6.886 3.657 -28.141 124 HE3 MET 20 2HE MET 20 -5.258 4.260 -27.835 125 H LEU 21 HN LEU 21 -4.966 8.929 -27.582 126 HA LEU 21 HA LEU 21 -6.125 11.147 -28.853 127 HB2 LEU 21 1HB LEU 21 -5.428 10.391 -26.232 128 HB3 LEU 21 2HB LEU 21 -4.657 11.948 -26.525 129 HG LEU 21 HG LEU 21 -7.074 12.599 -27.364 130 HD11 LEU 21 1HD1 LEU 21 -8.839 11.419 -26.514 131 HD12 LEU 21 2HD1 LEU 21 -7.889 10.724 -25.202 132 HD13 LEU 21 3HD1 LEU 21 -7.710 10.105 -26.843 133 HD21 LEU 21 3HD2 LEU 21 -7.584 13.126 -24.875 134 HD22 LEU 21 1HD2 LEU 21 -6.183 13.867 -25.648 135 HD23 LEU 21 2HD2 LEU 21 -5.970 12.473 -24.588 136 H GLY 22 HN GLY 22 -2.823 10.162 -28.488 137 HA2 GLY 22 1HA GLY 22 -1.638 12.720 -28.952 138 HA3 GLY 22 2HA GLY 22 -0.829 11.163 -29.064 139 H SER 23 HN SER 23 -2.030 9.861 -31.047 140 HA SER 23 HA SER 23 -1.106 11.256 -33.366 141 HB2 SER 23 1HB SER 23 -1.749 8.549 -32.662 142 HB3 SER 23 2HB SER 23 -2.585 8.971 -34.156 143 HG SER 23 HG SER 23 0.109 9.678 -33.874 144 H ALA 24 HN ALA 24 -4.198 10.684 -31.881 145 HA ALA 24 HA ALA 24 -5.847 11.233 -34.108 146 HB1 ALA 24 1HB ALA 24 -7.641 11.464 -32.529 147 HB2 ALA 24 2HB ALA 24 -6.605 10.132 -32.015 148 HB3 ALA 24 3HB ALA 24 -6.502 11.694 -31.202 149 H MET 25 HN MET 25 -4.563 13.304 -31.527 150 HA MET 25 HA MET 25 -5.815 15.667 -32.588 151 HB2 MET 25 1HB MET 25 -4.433 14.921 -30.181 152 HB3 MET 25 2HB MET 25 -3.734 16.399 -30.827 153 HG2 MET 25 1HG MET 25 -6.007 17.377 -30.916 154 HG3 MET 25 2HG MET 25 -6.622 15.920 -30.138 155 HE1 MET 25 3HE MET 25 -5.790 15.005 -28.026 156 HE2 MET 25 1HE MET 25 -5.378 15.987 -26.620 157 HE3 MET 25 2HE MET 25 -6.990 16.093 -27.327 158 H SER 26 HN SER 26 -2.778 14.032 -32.952 159 HA SER 26 HA SER 26 -1.319 16.252 -33.998 160 HB2 SER 26 1HB SER 26 0.157 14.661 -33.251 161 HB3 SER 26 2HB SER 26 -0.874 13.318 -33.746 162 HG SER 26 HG SER 26 -0.129 13.476 -35.785 163 H ARG 27 HN ARG 27 -3.370 13.767 -35.358 164 HA ARG 27 HA ARG 27 -2.691 14.523 -38.085 165 HB2 ARG 27 1HB ARG 27 -4.187 12.310 -36.795 166 HB3 ARG 27 2HB ARG 27 -4.719 12.786 -38.402 167 HG2 ARG 27 1HG ARG 27 -3.190 11.256 -39.029 168 HG3 ARG 27 2HG ARG 27 -2.089 12.624 -38.852 169 HD2 ARG 27 1HD ARG 27 -1.052 10.869 -37.695 170 HD3 ARG 27 2HD ARG 27 -1.794 11.859 -36.439 171 HE ARG 27 HE ARG 27 -3.211 10.122 -35.942 172 HH11 ARG 27 1HH1 ARG 27 -1.595 9.483 -38.958 173 HH12 ARG 27 2HH1 ARG 27 -2.149 7.844 -39.058 174 HH21 ARG 27 1HH2 ARG 27 -3.948 7.966 -36.063 175 HH22 ARG 27 2HH2 ARG 27 -3.489 6.983 -37.411 Start of MODEL 5 1 H1 LYS 1 HN LYS 1 0.325 0.124 0.693 2 HA LYS 1 HA LYS 1 2.587 0.746 -1.080 3 HB2 LYS 1 1HB LYS 1 2.461 -1.442 0.289 4 HB3 LYS 1 2HB LYS 1 1.243 -1.936 -0.879 5 HG2 LYS 1 1HG LYS 1 2.844 -1.687 -2.687 6 HG3 LYS 1 2HG LYS 1 4.067 -1.128 -1.544 7 HD2 LYS 1 1HD LYS 1 3.946 -3.291 -0.382 8 HD3 LYS 1 2HD LYS 1 2.754 -3.846 -1.559 9 HE2 LYS 1 1HE LYS 1 4.825 -4.722 -2.274 10 HE3 LYS 1 2HE LYS 1 4.484 -3.360 -3.340 11 HZ1 LYS 1 3HZ LYS 1 6.653 -2.967 -2.791 12 HZ2 LYS 1 1HZ LYS 1 6.509 -3.607 -1.232 13 HZ3 LYS 1 2HZ LYS 1 5.882 -2.075 -1.577 14 H HIS 2 HN HIS 2 -0.026 1.946 -1.386 15 HA HIS 2 HA HIS 2 -1.423 0.619 -3.499 16 HB2 HIS 2 1HB HIS 2 -2.362 2.332 -1.832 17 HB3 HIS 2 2HB HIS 2 -1.623 3.557 -2.858 18 HD1 HIS 2 HD1 HIS 2 -3.185 4.490 -4.517 19 HD2 HIS 2 HD2 HIS 2 -4.140 0.564 -3.553 20 HE1 HIS 2 HE1 HIS 2 -5.259 3.960 -5.837 21 H MET 3 HN MET 3 1.532 1.979 -3.494 22 HA MET 3 HA MET 3 1.520 3.633 -5.784 23 HB2 MET 3 1HB MET 3 4.004 3.090 -5.821 24 HB3 MET 3 2HB MET 3 3.386 3.826 -4.349 25 HG2 MET 3 1HG MET 3 4.291 2.170 -3.203 26 HG3 MET 3 2HG MET 3 3.150 1.067 -3.970 27 HE1 MET 3 3HE MET 3 3.579 -0.685 -5.043 28 HE2 MET 3 1HE MET 3 4.948 -1.137 -6.060 29 HE3 MET 3 2HE MET 3 5.054 -1.315 -4.308 30 H ALA 4 HN ALA 4 1.741 0.174 -5.336 31 HA ALA 4 HA ALA 4 2.625 -0.439 -7.975 32 HB1 ALA 4 1HB ALA 4 1.491 -2.025 -5.712 33 HB2 ALA 4 2HB ALA 4 1.645 -2.755 -7.310 34 HB3 ALA 4 3HB ALA 4 3.074 -2.139 -6.481 35 H GLY 5 HN GLY 5 -0.533 -0.171 -6.422 36 HA2 GLY 5 1HA GLY 5 -2.011 -1.184 -8.646 37 HA3 GLY 5 2HA GLY 5 -2.669 -0.300 -7.277 38 H ALA 6 HN ALA 6 -1.359 2.104 -7.459 39 HA ALA 6 HA ALA 6 -2.841 3.409 -9.490 40 HB1 ALA 6 1HB ALA 6 -0.793 5.133 -8.584 41 HB2 ALA 6 2HB ALA 6 -2.492 5.111 -8.112 42 HB3 ALA 6 3HB ALA 6 -1.313 4.163 -7.206 43 H ALA 7 HN ALA 7 0.524 2.411 -9.212 44 HA ALA 7 HA ALA 7 1.432 3.779 -11.538 45 HB1 ALA 7 1HB ALA 7 2.896 3.011 -9.671 46 HB2 ALA 7 2HB ALA 7 2.675 1.358 -10.245 47 HB3 ALA 7 3HB ALA 7 3.467 2.550 -11.275 48 H ALA 8 HN ALA 8 0.287 0.493 -10.906 49 HA ALA 8 HA ALA 8 0.840 -0.548 -13.475 50 HB1 ALA 8 1HB ALA 8 -1.335 -1.495 -11.623 51 HB2 ALA 8 2HB ALA 8 -0.465 -2.427 -12.842 52 HB3 ALA 8 3HB ALA 8 0.371 -1.876 -11.390 53 H ALA 9 HN ALA 9 -2.117 0.816 -12.050 54 HA ALA 9 HA ALA 9 -3.693 0.497 -14.393 55 HB1 ALA 9 1HB ALA 9 -5.317 1.918 -13.266 56 HB2 ALA 9 2HB ALA 9 -4.681 0.698 -12.162 57 HB3 ALA 9 3HB ALA 9 -4.109 2.362 -12.060 58 H GLY 10 HN GLY 10 -1.705 3.114 -13.115 59 HA2 GLY 10 1HA GLY 10 -2.557 5.055 -15.032 60 HA3 GLY 10 2HA GLY 10 -1.149 5.173 -13.987 61 H ALA 11 HN ALA 11 0.095 2.741 -14.885 62 HA ALA 11 HA ALA 11 1.502 3.768 -17.132 63 HB1 ALA 11 1HB ALA 11 2.859 1.823 -16.988 64 HB2 ALA 11 2HB ALA 11 2.466 2.301 -15.336 65 HB3 ALA 11 3HB ALA 11 1.621 0.948 -16.088 66 H VAL 12 HN VAL 12 -0.862 1.161 -16.712 67 HA VAL 12 HA VAL 12 -0.784 0.223 -19.375 68 HB VAL 12 HB VAL 12 -3.065 -0.730 -18.838 69 HG11 VAL 12 1HG1 VAL 12 -1.123 -2.085 -18.526 70 HG12 VAL 12 2HG1 VAL 12 -0.734 -1.274 -17.008 71 HG13 VAL 12 3HG1 VAL 12 -2.161 -2.304 -17.118 72 HG21 VAL 12 3HG2 VAL 12 -4.074 0.601 -17.269 73 HG22 VAL 12 1HG2 VAL 12 -3.409 -0.656 -16.227 74 HG23 VAL 12 2HG2 VAL 12 -2.575 0.889 -16.387 75 H VAL 13 HN VAL 13 -3.142 2.340 -17.737 76 HA VAL 13 HA VAL 13 -4.671 2.923 -20.017 77 HB VAL 13 HB VAL 13 -4.264 4.660 -17.578 78 HG11 VAL 13 1HG1 VAL 13 -6.711 5.274 -18.290 79 HG12 VAL 13 2HG1 VAL 13 -5.330 6.068 -19.049 80 HG13 VAL 13 3HG1 VAL 13 -6.157 4.749 -19.880 81 HG21 VAL 13 3HG2 VAL 13 -6.737 3.153 -17.727 82 HG22 VAL 13 1HG2 VAL 13 -5.321 2.104 -17.696 83 HG23 VAL 13 2HG2 VAL 13 -5.572 3.283 -16.409 84 H GLY 14 HN GLY 14 -1.846 4.527 -18.619 85 HA2 GLY 14 1HA GLY 14 -1.865 6.798 -20.294 86 HA3 GLY 14 2HA GLY 14 -0.466 6.169 -19.437 87 H GLY 15 HN GLY 15 -0.596 3.557 -20.750 88 HA2 GLY 15 1HA GLY 15 1.013 4.187 -23.019 89 HA3 GLY 15 2HA GLY 15 0.503 2.581 -22.522 90 H LEU 16 HN LEU 16 -2.187 2.653 -22.707 91 HA LEU 16 HA LEU 16 -2.599 2.506 -25.522 92 HB2 LEU 16 1HB LEU 16 -4.939 1.965 -24.900 93 HB3 LEU 16 2HB LEU 16 -3.731 0.951 -24.113 94 HG LEU 16 HG LEU 16 -4.220 3.045 -22.324 95 HD11 LEU 16 1HD1 LEU 16 -6.234 3.578 -23.644 96 HD12 LEU 16 2HD1 LEU 16 -6.613 3.027 -22.013 97 HD13 LEU 16 3HD1 LEU 16 -6.815 1.934 -23.381 98 HD21 LEU 16 3HD2 LEU 16 -5.066 1.297 -20.909 99 HD22 LEU 16 1HD2 LEU 16 -3.717 0.661 -21.850 100 HD23 LEU 16 2HD2 LEU 16 -5.373 0.259 -22.302 101 H GLY 17 HN GLY 17 -3.641 4.744 -22.985 102 HA2 GLY 17 1HA GLY 17 -5.323 6.311 -24.656 103 HA3 GLY 17 2HA GLY 17 -4.675 6.795 -23.096 104 H GLY 18 HN GLY 18 -1.923 6.603 -23.707 105 HA2 GLY 18 1HA GLY 18 -1.507 9.144 -24.894 106 HA3 GLY 18 2HA GLY 18 -0.253 7.992 -24.459 107 H TYR 19 HN TYR 19 -1.361 5.876 -26.150 108 HA TYR 19 HA TYR 19 0.016 6.536 -28.552 109 HB2 TYR 19 1HB TYR 19 0.012 4.252 -27.711 110 HB3 TYR 19 2HB TYR 19 -1.739 4.169 -27.869 111 HD1 TYR 19 HD1 TYR 19 -0.083 5.944 -30.515 112 HD2 TYR 19 HD2 TYR 19 -1.250 2.070 -29.199 113 HE1 TYR 19 HE1 TYR 19 0.168 5.096 -32.810 114 HE2 TYR 19 HE2 TYR 19 -1.001 1.211 -31.490 115 HH TYR 19 HH TYR 19 0.669 2.498 -33.767 116 H MET 20 HN MET 20 -3.394 5.631 -28.003 117 HA MET 20 HA MET 20 -4.362 6.194 -30.527 118 HB2 MET 20 1HB MET 20 -6.563 6.656 -29.312 119 HB3 MET 20 2HB MET 20 -5.822 5.083 -29.054 120 HG2 MET 20 1HG MET 20 -4.764 6.186 -26.973 121 HG3 MET 20 2HG MET 20 -6.019 7.404 -27.187 122 HE1 MET 20 3HE MET 20 -5.453 3.776 -27.595 123 HE2 MET 20 1HE MET 20 -6.389 2.997 -26.319 124 HE3 MET 20 2HE MET 20 -7.144 3.355 -27.872 125 H LEU 21 HN LEU 21 -4.582 8.376 -27.708 126 HA LEU 21 HA LEU 21 -5.451 10.613 -29.164 127 HB2 LEU 21 1HB LEU 21 -4.868 9.987 -26.483 128 HB3 LEU 21 2HB LEU 21 -3.899 11.404 -26.886 129 HG LEU 21 HG LEU 21 -6.061 11.979 -25.856 130 HD11 LEU 21 1HD1 LEU 21 -6.573 13.046 -28.495 131 HD12 LEU 21 2HD1 LEU 21 -4.861 13.113 -28.080 132 HD13 LEU 21 3HD1 LEU 21 -6.054 13.869 -27.024 133 HD21 LEU 21 3HD2 LEU 21 -7.246 9.995 -26.932 134 HD22 LEU 21 1HD2 LEU 21 -7.373 11.002 -28.375 135 HD23 LEU 21 2HD2 LEU 21 -8.129 11.522 -26.868 136 H GLY 22 HN GLY 22 -2.298 9.258 -28.679 137 HA2 GLY 22 1HA GLY 22 -0.803 11.603 -29.329 138 HA3 GLY 22 2HA GLY 22 -0.194 9.955 -29.306 139 H SER 23 HN SER 23 -1.542 8.656 -31.196 140 HA SER 23 HA SER 23 -0.443 9.736 -33.606 141 HB2 SER 23 1HB SER 23 -0.402 7.537 -34.048 142 HB3 SER 23 2HB SER 23 -1.491 7.198 -32.704 143 HG SER 23 HG SER 23 -3.095 7.045 -34.056 144 H ALA 24 HN ALA 24 -3.587 9.673 -32.121 145 HA ALA 24 HA ALA 24 -5.148 10.242 -34.406 146 HB1 ALA 24 1HB ALA 24 -6.904 10.819 -32.875 147 HB2 ALA 24 2HB ALA 24 -6.044 9.415 -32.242 148 HB3 ALA 24 3HB ALA 24 -5.750 11.013 -31.555 149 H MET 25 HN MET 25 -3.624 12.337 -31.980 150 HA MET 25 HA MET 25 -4.568 14.745 -33.241 151 HB2 MET 25 1HB MET 25 -3.295 14.028 -30.765 152 HB3 MET 25 2HB MET 25 -2.418 15.354 -31.517 153 HG2 MET 25 1HG MET 25 -4.186 16.802 -31.354 154 HG3 MET 25 2HG MET 25 -5.383 15.508 -31.334 155 HE1 MET 25 3HE MET 25 -6.019 17.517 -28.338 156 HE2 MET 25 1HE MET 25 -6.550 16.837 -29.877 157 HE3 MET 25 2HE MET 25 -6.727 15.901 -28.393 158 H SER 26 HN SER 26 -1.757 12.722 -33.434 159 HA SER 26 HA SER 26 -0.030 14.653 -34.634 160 HB2 SER 26 1HB SER 26 0.045 11.711 -34.161 161 HB3 SER 26 2HB SER 26 1.115 12.369 -35.399 162 HG SER 26 HG SER 26 2.250 12.482 -33.527 163 H ARG 27 HN ARG 27 -2.370 12.341 -35.820 164 HA ARG 27 HA ARG 27 -3.162 11.863 -37.902 165 HB2 ARG 27 1HB ARG 27 -2.453 14.779 -38.134 166 HB3 ARG 27 2HB ARG 27 -3.177 13.902 -39.475 167 HG2 ARG 27 1HG ARG 27 -5.210 13.856 -38.519 168 HG3 ARG 27 2HG ARG 27 -4.558 13.615 -36.897 169 HD2 ARG 27 1HD ARG 27 -5.552 15.746 -36.859 170 HD3 ARG 27 2HD ARG 27 -3.819 16.041 -36.995 171 HE ARG 27 HE ARG 27 -4.837 15.977 -39.575 172 HH11 ARG 27 1HH1 ARG 27 -5.200 17.898 -36.694 173 HH12 ARG 27 2HH1 ARG 27 -5.579 19.353 -37.555 174 HH21 ARG 27 1HH2 ARG 27 -5.334 17.887 -40.720 175 HH22 ARG 27 2HH2 ARG 27 -5.655 19.346 -39.845 Start of MODEL 6 1 H1 LYS 1 HN LYS 1 0.562 -0.532 0.517 2 HA LYS 1 HA LYS 1 2.542 0.650 -1.263 3 HB2 LYS 1 1HB LYS 1 2.712 -1.660 -0.094 4 HB3 LYS 1 2HB LYS 1 1.622 -2.209 -1.361 5 HG2 LYS 1 1HG LYS 1 3.190 -1.875 -3.033 6 HG3 LYS 1 2HG LYS 1 4.140 -0.755 -2.055 7 HD2 LYS 1 1HD LYS 1 5.216 -2.428 -0.939 8 HD3 LYS 1 2HD LYS 1 3.847 -3.535 -1.059 9 HE2 LYS 1 1HE LYS 1 4.465 -3.405 -3.638 10 HE3 LYS 1 2HE LYS 1 6.052 -3.011 -2.979 11 HZ1 LYS 1 3HZ LYS 1 4.457 -5.439 -2.359 12 HZ2 LYS 1 1HZ LYS 1 5.953 -5.055 -1.668 13 HZ3 LYS 1 2HZ LYS 1 5.843 -5.377 -3.325 14 H HIS 2 HN HIS 2 -0.133 1.560 -1.578 15 HA HIS 2 HA HIS 2 -1.376 0.216 -3.774 16 HB2 HIS 2 1HB HIS 2 -2.434 1.804 -2.004 17 HB3 HIS 2 2HB HIS 2 -1.891 3.091 -3.076 18 HD1 HIS 2 HD1 HIS 2 -3.349 -0.204 -4.217 19 HD2 HIS 2 HD2 HIS 2 -4.329 3.832 -4.087 20 HE1 HIS 2 HE1 HIS 2 -5.466 0.017 -5.556 21 H MET 3 HN MET 3 1.434 1.848 -3.660 22 HA MET 3 HA MET 3 1.285 3.610 -5.863 23 HB2 MET 3 1HB MET 3 3.808 3.311 -5.894 24 HB3 MET 3 2HB MET 3 3.112 3.899 -4.390 25 HG2 MET 3 1HG MET 3 4.182 2.281 -3.336 26 HG3 MET 3 2HG MET 3 3.135 1.122 -4.153 27 HE1 MET 3 3HE MET 3 5.242 -1.057 -4.570 28 HE2 MET 3 1HE MET 3 3.718 -0.546 -5.297 29 HE3 MET 3 2HE MET 3 5.127 -0.837 -6.316 30 H ALA 4 HN ALA 4 1.826 0.168 -5.589 31 HA ALA 4 HA ALA 4 2.789 -0.222 -8.243 32 HB1 ALA 4 1HB ALA 4 3.384 -1.956 -6.852 33 HB2 ALA 4 2HB ALA 4 1.804 -2.014 -6.070 34 HB3 ALA 4 3HB ALA 4 2.004 -2.651 -7.703 35 H GLY 5 HN GLY 5 -0.396 -0.330 -6.724 36 HA2 GLY 5 1HA GLY 5 -1.751 -1.358 -9.019 37 HA3 GLY 5 2HA GLY 5 -2.502 -0.612 -7.616 38 H ALA 6 HN ALA 6 -1.421 1.909 -7.655 39 HA ALA 6 HA ALA 6 -2.999 3.176 -9.637 40 HB1 ALA 6 1HB ALA 6 -2.825 4.829 -8.171 41 HB2 ALA 6 2HB ALA 6 -1.572 3.948 -7.296 42 HB3 ALA 6 3HB ALA 6 -1.130 5.033 -8.614 43 H ALA 7 HN ALA 7 0.442 2.482 -9.363 44 HA ALA 7 HA ALA 7 1.241 4.048 -11.603 45 HB1 ALA 7 1HB ALA 7 2.752 3.324 -9.757 46 HB2 ALA 7 2HB ALA 7 2.691 1.689 -10.417 47 HB3 ALA 7 3HB ALA 7 3.378 3.001 -11.374 48 H ALA 8 HN ALA 8 0.402 0.641 -11.156 49 HA ALA 8 HA ALA 8 1.074 -0.207 -13.767 50 HB1 ALA 8 1HB ALA 8 -0.055 -2.229 -13.252 51 HB2 ALA 8 2HB ALA 8 0.712 -1.681 -11.761 52 HB3 ALA 8 3HB ALA 8 -1.020 -1.449 -11.998 53 H ALA 9 HN ALA 9 -2.011 0.799 -12.317 54 HA ALA 9 HA ALA 9 -3.528 0.459 -14.695 55 HB1 ALA 9 1HB ALA 9 -4.825 0.416 -12.782 56 HB2 ALA 9 2HB ALA 9 -4.012 1.813 -12.074 57 HB3 ALA 9 3HB ALA 9 -5.141 2.034 -13.411 58 H GLY 10 HN GLY 10 -1.806 3.178 -13.257 59 HA2 GLY 10 1HA GLY 10 -2.817 5.130 -15.084 60 HA3 GLY 10 2HA GLY 10 -1.436 5.324 -14.014 61 H ALA 11 HN ALA 11 0.038 3.068 -15.017 62 HA ALA 11 HA ALA 11 1.365 4.337 -17.188 63 HB1 ALA 11 1HB ALA 11 1.683 1.601 -15.970 64 HB2 ALA 11 2HB ALA 11 2.731 2.245 -17.235 65 HB3 ALA 11 3HB ALA 11 2.659 3.037 -15.661 66 H VAL 12 HN VAL 12 -0.749 1.503 -16.937 67 HA VAL 12 HA VAL 12 -0.558 0.717 -19.643 68 HB VAL 12 HB VAL 12 -2.746 -0.470 -19.188 69 HG11 VAL 12 1HG1 VAL 12 -0.394 -0.891 -17.353 70 HG12 VAL 12 2HG1 VAL 12 -1.715 -2.045 -17.546 71 HG13 VAL 12 3HG1 VAL 12 -0.682 -1.647 -18.919 72 HG21 VAL 12 3HG2 VAL 12 -2.433 1.058 -16.653 73 HG22 VAL 12 1HG2 VAL 12 -3.890 0.673 -17.568 74 HG23 VAL 12 2HG2 VAL 12 -3.116 -0.566 -16.580 75 H VAL 13 HN VAL 13 -3.121 2.516 -17.933 76 HA VAL 13 HA VAL 13 -4.675 3.074 -20.202 77 HB VAL 13 HB VAL 13 -4.458 4.711 -17.671 78 HG11 VAL 13 1HG1 VAL 13 -6.417 4.680 -19.939 79 HG12 VAL 13 2HG1 VAL 13 -6.892 5.223 -18.329 80 HG13 VAL 13 3HG1 VAL 13 -5.600 6.054 -19.195 81 HG21 VAL 13 3HG2 VAL 13 -5.641 3.157 -16.594 82 HG22 VAL 13 1HG2 VAL 13 -6.775 2.988 -17.934 83 HG23 VAL 13 2HG2 VAL 13 -5.266 2.074 -17.935 84 H GLY 14 HN GLY 14 -2.027 4.858 -18.680 85 HA2 GLY 14 1HA GLY 14 -2.242 7.204 -20.235 86 HA3 GLY 14 2HA GLY 14 -0.799 6.664 -19.390 87 H GLY 15 HN GLY 15 -0.670 4.124 -20.839 88 HA2 GLY 15 1HA GLY 15 0.896 5.022 -23.048 89 HA3 GLY 15 2HA GLY 15 0.534 3.350 -22.643 90 H LEU 16 HN LEU 16 -2.149 3.181 -22.865 91 HA LEU 16 HA LEU 16 -2.517 3.147 -25.690 92 HB2 LEU 16 1HB LEU 16 -4.801 2.356 -25.133 93 HB3 LEU 16 2HB LEU 16 -3.511 1.420 -24.380 94 HG LEU 16 HG LEU 16 -4.215 3.362 -22.493 95 HD11 LEU 16 1HD1 LEU 16 -6.682 2.072 -23.649 96 HD12 LEU 16 2HD1 LEU 16 -6.255 3.775 -23.815 97 HD13 LEU 16 3HD1 LEU 16 -6.599 3.104 -22.221 98 HD21 LEU 16 3HD2 LEU 16 -4.909 1.470 -21.184 99 HD22 LEU 16 1HD2 LEU 16 -3.495 1.013 -22.135 100 HD23 LEU 16 2HD2 LEU 16 -5.102 0.483 -22.634 101 H GLY 17 HN GLY 17 -3.790 5.139 -23.056 102 HA2 GLY 17 1HA GLY 17 -5.595 6.629 -24.668 103 HA3 GLY 17 2HA GLY 17 -5.011 7.088 -23.075 104 H GLY 18 HN GLY 18 -2.247 7.186 -23.653 105 HA2 GLY 18 1HA GLY 18 -2.060 9.815 -24.699 106 HA3 GLY 18 2HA GLY 18 -0.708 8.763 -24.305 107 H TYR 19 HN TYR 19 -1.594 6.646 -26.121 108 HA TYR 19 HA TYR 19 -0.259 7.559 -28.464 109 HB2 TYR 19 1HB TYR 19 -0.059 5.243 -27.743 110 HB3 TYR 19 2HB TYR 19 -1.792 5.005 -27.933 111 HD1 TYR 19 HD1 TYR 19 -0.282 7.066 -30.456 112 HD2 TYR 19 HD2 TYR 19 -1.092 3.035 -29.362 113 HE1 TYR 19 HE1 TYR 19 0.073 6.368 -32.788 114 HE2 TYR 19 HE2 TYR 19 -0.739 2.326 -31.690 115 HH TYR 19 HH TYR 19 -0.923 3.524 -34.027 116 H MET 20 HN MET 20 -3.575 6.312 -28.017 117 HA MET 20 HA MET 20 -4.565 6.916 -30.522 118 HB2 MET 20 1HB MET 20 -6.813 7.106 -29.319 119 HB3 MET 20 2HB MET 20 -5.930 5.597 -29.132 120 HG2 MET 20 1HG MET 20 -5.002 6.682 -26.980 121 HG3 MET 20 2HG MET 20 -6.364 7.787 -27.149 122 HE1 MET 20 3HE MET 20 -6.330 3.324 -26.519 123 HE2 MET 20 1HE MET 20 -7.097 3.694 -28.064 124 HE3 MET 20 2HE MET 20 -5.456 4.254 -27.738 125 H LEU 21 HN LEU 21 -5.019 8.916 -27.598 126 HA LEU 21 HA LEU 21 -6.078 11.136 -28.949 127 HB2 LEU 21 1HB LEU 21 -5.462 10.426 -26.295 128 HB3 LEU 21 2HB LEU 21 -4.631 11.948 -26.611 129 HG LEU 21 HG LEU 21 -6.808 12.924 -27.313 130 HD11 LEU 21 1HD1 LEU 21 -8.159 11.167 -27.975 131 HD12 LEU 21 2HD1 LEU 21 -8.819 11.580 -26.393 132 HD13 LEU 21 3HD1 LEU 21 -7.752 10.186 -26.567 133 HD21 LEU 21 3HD2 LEU 21 -6.705 11.771 -24.528 134 HD22 LEU 21 1HD2 LEU 21 -7.713 13.123 -25.045 135 HD23 LEU 21 2HD2 LEU 21 -5.956 13.276 -25.063 136 H GLY 22 HN GLY 22 -2.817 10.056 -28.487 137 HA2 GLY 22 1HA GLY 22 -1.541 12.562 -28.993 138 HA3 GLY 22 2HA GLY 22 -0.780 10.979 -29.046 139 H SER 23 HN SER 23 -1.978 9.660 -31.019 140 HA SER 23 HA SER 23 -0.961 10.963 -33.354 141 HB2 SER 23 1HB SER 23 -1.706 8.298 -32.593 142 HB3 SER 23 2HB SER 23 -2.500 8.706 -34.114 143 HG SER 23 HG SER 23 0.275 8.999 -33.584 144 H ALA 24 HN ALA 24 -4.101 10.532 -31.922 145 HA ALA 24 HA ALA 24 -5.684 11.074 -34.198 146 HB1 ALA 24 1HB ALA 24 -7.502 11.406 -32.665 147 HB2 ALA 24 2HB ALA 24 -6.522 10.055 -32.094 148 HB3 ALA 24 3HB ALA 24 -6.384 11.633 -31.320 149 H MET 25 HN MET 25 -4.380 13.170 -31.649 150 HA MET 25 HA MET 25 -5.537 15.544 -32.789 151 HB2 MET 25 1HB MET 25 -4.208 14.816 -30.345 152 HB3 MET 25 2HB MET 25 -3.455 16.255 -31.020 153 HG2 MET 25 1HG MET 25 -5.242 17.547 -30.608 154 HG3 MET 25 2HG MET 25 -6.390 16.272 -31.008 155 HE1 MET 25 3HE MET 25 -4.546 17.390 -27.040 156 HE2 MET 25 1HE MET 25 -3.561 16.173 -27.854 157 HE3 MET 25 2HE MET 25 -3.918 17.701 -28.659 158 H SER 26 HN SER 26 -2.546 13.806 -33.061 159 HA SER 26 HA SER 26 -1.007 15.949 -34.151 160 HB2 SER 26 1HB SER 26 0.700 14.355 -34.495 161 HB3 SER 26 2HB SER 26 -0.143 13.788 -33.054 162 HG SER 26 HG SER 26 0.012 12.669 -35.576 163 H ARG 27 HN ARG 27 -3.113 13.487 -35.468 164 HA ARG 27 HA ARG 27 -2.344 13.639 -38.162 165 HB2 ARG 27 1HB ARG 27 -4.410 12.390 -36.636 166 HB3 ARG 27 2HB ARG 27 -5.145 13.177 -38.026 167 HG2 ARG 27 1HG ARG 27 -4.655 10.991 -38.719 168 HG3 ARG 27 2HG ARG 27 -3.404 12.005 -39.440 169 HD2 ARG 27 1HD ARG 27 -2.085 11.415 -37.262 170 HD3 ARG 27 2HD ARG 27 -3.207 10.057 -37.185 171 HE ARG 27 HE ARG 27 -2.285 9.910 -39.709 172 HH11 ARG 27 1HH1 ARG 27 -0.687 10.204 -36.630 173 HH12 ARG 27 2HH1 ARG 27 0.731 9.347 -37.138 174 HH21 ARG 27 1HH2 ARG 27 -0.424 8.780 -40.389 175 HH22 ARG 27 2HH2 ARG 27 0.880 8.539 -39.276 Start of MODEL 7 1 H1 LYS 1 HN LYS 1 2.820 1.299 0.216 2 HA LYS 1 HA LYS 1 3.604 -0.411 -1.751 3 HB2 LYS 1 1HB LYS 1 2.527 -0.852 0.592 4 HB3 LYS 1 2HB LYS 1 1.028 -0.963 -0.320 5 HG2 LYS 1 1HG LYS 1 2.580 -2.596 -1.785 6 HG3 LYS 1 2HG LYS 1 3.314 -2.814 -0.194 7 HD2 LYS 1 1HD LYS 1 1.661 -4.453 -0.251 8 HD3 LYS 1 2HD LYS 1 0.891 -3.134 0.634 9 HE2 LYS 1 1HE LYS 1 -0.749 -3.767 -0.879 10 HE3 LYS 1 2HE LYS 1 0.020 -2.401 -1.686 11 HZ1 LYS 1 3HZ LYS 1 -0.223 -5.067 -2.574 12 HZ2 LYS 1 1HZ LYS 1 1.418 -4.673 -2.444 13 HZ3 LYS 1 2HZ LYS 1 0.394 -3.726 -3.402 14 H HIS 2 HN HIS 2 0.772 1.606 -1.728 15 HA HIS 2 HA HIS 2 -0.586 0.270 -3.860 16 HB2 HIS 2 1HB HIS 2 -1.482 1.950 -2.035 17 HB3 HIS 2 2HB HIS 2 -1.058 3.158 -3.244 18 HD1 HIS 2 HD1 HIS 2 -2.845 -0.201 -3.499 19 HD2 HIS 2 HD2 HIS 2 -3.313 3.784 -4.577 20 HE1 HIS 2 HE1 HIS 2 -5.010 -0.099 -4.774 21 H MET 3 HN MET 3 2.254 1.855 -3.876 22 HA MET 3 HA MET 3 2.040 3.605 -6.084 23 HB2 MET 3 1HB MET 3 4.555 3.261 -6.219 24 HB3 MET 3 2HB MET 3 3.932 3.875 -4.694 25 HG2 MET 3 1HG MET 3 5.006 2.245 -3.663 26 HG3 MET 3 2HG MET 3 3.920 1.095 -4.440 27 HE1 MET 3 3HE MET 3 4.439 -0.576 -5.602 28 HE2 MET 3 1HE MET 3 5.803 -0.884 -6.678 29 HE3 MET 3 2HE MET 3 5.982 -1.116 -4.939 30 H ALA 4 HN ALA 4 2.539 0.156 -5.808 31 HA ALA 4 HA ALA 4 3.380 -0.266 -8.498 32 HB1 ALA 4 1HB ALA 4 2.450 -2.033 -6.278 33 HB2 ALA 4 2HB ALA 4 2.594 -2.679 -7.913 34 HB3 ALA 4 3HB ALA 4 4.006 -1.995 -7.108 35 H GLY 5 HN GLY 5 0.262 -0.314 -6.843 36 HA2 GLY 5 1HA GLY 5 -1.205 -1.336 -9.070 37 HA3 GLY 5 2HA GLY 5 -1.884 -0.569 -7.641 38 H ALA 6 HN ALA 6 -0.767 1.935 -7.746 39 HA ALA 6 HA ALA 6 -2.408 3.213 -9.669 40 HB1 ALA 6 1HB ALA 6 -0.870 3.977 -7.396 41 HB2 ALA 6 2HB ALA 6 -0.469 5.047 -8.740 42 HB3 ALA 6 3HB ALA 6 -2.146 4.872 -8.222 43 H ALA 7 HN ALA 7 1.029 2.466 -9.536 44 HA ALA 7 HA ALA 7 1.756 4.005 -11.819 45 HB1 ALA 7 1HB ALA 7 3.334 3.269 -10.034 46 HB2 ALA 7 2HB ALA 7 3.220 1.631 -10.680 47 HB3 ALA 7 3HB ALA 7 3.885 2.926 -11.674 48 H ALA 8 HN ALA 8 0.885 0.615 -11.312 49 HA ALA 8 HA ALA 8 1.432 -0.262 -13.943 50 HB1 ALA 8 1HB ALA 8 0.294 -2.263 -13.365 51 HB2 ALA 8 2HB ALA 8 1.133 -1.716 -11.912 52 HB3 ALA 8 3HB ALA 8 -0.604 -1.459 -12.077 53 H ALA 9 HN ALA 9 -1.573 0.802 -12.370 54 HA ALA 9 HA ALA 9 -3.196 0.469 -14.679 55 HB1 ALA 9 1HB ALA 9 -3.689 2.212 -12.267 56 HB2 ALA 9 2HB ALA 9 -4.893 1.678 -13.440 57 HB3 ALA 9 3HB ALA 9 -4.101 0.501 -12.392 58 H GLY 10 HN GLY 10 -1.372 3.171 -13.336 59 HA2 GLY 10 1HA GLY 10 -2.430 5.126 -15.133 60 HA3 GLY 10 2HA GLY 10 -1.002 5.305 -14.124 61 H ALA 11 HN ALA 11 0.393 3.020 -15.172 62 HA ALA 11 HA ALA 11 1.645 4.253 -17.407 63 HB1 ALA 11 1HB ALA 11 2.835 2.837 -15.763 64 HB2 ALA 11 2HB ALA 11 1.993 1.429 -16.411 65 HB3 ALA 11 3HB ALA 11 3.106 2.339 -17.433 66 H VAL 12 HN VAL 12 -0.499 1.455 -17.045 67 HA VAL 12 HA VAL 12 -0.437 0.647 -19.750 68 HB VAL 12 HB VAL 12 -2.621 -0.503 -19.193 69 HG11 VAL 12 1HG1 VAL 12 -0.198 -0.948 -17.459 70 HG12 VAL 12 2HG1 VAL 12 -1.544 -2.081 -17.582 71 HG13 VAL 12 3HG1 VAL 12 -0.567 -1.712 -19.004 72 HG21 VAL 12 3HG2 VAL 12 -3.677 0.670 -17.533 73 HG22 VAL 12 1HG2 VAL 12 -2.879 -0.574 -16.572 74 HG23 VAL 12 2HG2 VAL 12 -2.176 1.039 -16.686 75 H VAL 13 HN VAL 13 -2.895 2.498 -17.946 76 HA VAL 13 HA VAL 13 -4.536 3.065 -20.151 77 HB VAL 13 HB VAL 13 -4.186 4.715 -17.644 78 HG11 VAL 13 1HG1 VAL 13 -5.523 6.135 -18.743 79 HG12 VAL 13 2HG1 VAL 13 -5.935 4.941 -19.975 80 HG13 VAL 13 3HG1 VAL 13 -6.793 4.951 -18.434 81 HG21 VAL 13 3HG2 VAL 13 -5.346 3.187 -16.506 82 HG22 VAL 13 1HG2 VAL 13 -6.539 3.027 -17.795 83 HG23 VAL 13 2HG2 VAL 13 -5.046 2.090 -17.854 84 H GLY 14 HN GLY 14 -1.799 4.817 -18.758 85 HA2 GLY 14 1HA GLY 14 -2.044 7.155 -20.320 86 HA3 GLY 14 2HA GLY 14 -0.574 6.598 -19.533 87 H GLY 15 HN GLY 15 -0.547 4.047 -20.967 88 HA2 GLY 15 1HA GLY 15 0.936 4.904 -23.248 89 HA3 GLY 15 2HA GLY 15 0.566 3.241 -22.815 90 H LEU 16 HN LEU 16 -2.125 3.113 -22.920 91 HA LEU 16 HA LEU 16 -2.615 3.065 -25.726 92 HB2 LEU 16 1HB LEU 16 -4.885 2.314 -25.066 93 HB3 LEU 16 2HB LEU 16 -3.579 1.363 -24.362 94 HG LEU 16 HG LEU 16 -4.171 3.328 -22.462 95 HD11 LEU 16 1HD1 LEU 16 -6.705 2.070 -23.501 96 HD12 LEU 16 2HD1 LEU 16 -6.259 3.764 -23.699 97 HD13 LEU 16 3HD1 LEU 16 -6.544 3.111 -22.086 98 HD21 LEU 16 3HD2 LEU 16 -3.473 0.972 -22.116 99 HD22 LEU 16 1HD2 LEU 16 -5.107 0.464 -22.542 100 HD23 LEU 16 2HD2 LEU 16 -4.839 1.457 -21.110 101 H GLY 17 HN GLY 17 -3.743 5.095 -23.056 102 HA2 GLY 17 1HA GLY 17 -5.592 6.602 -24.600 103 HA3 GLY 17 2HA GLY 17 -4.933 7.063 -23.037 104 H GLY 18 HN GLY 18 -2.196 7.113 -23.733 105 HA2 GLY 18 1HA GLY 18 -2.013 9.731 -24.807 106 HA3 GLY 18 2HA GLY 18 -0.662 8.661 -24.463 107 H TYR 19 HN TYR 19 -1.658 6.546 -26.223 108 HA TYR 19 HA TYR 19 -0.410 7.421 -28.628 109 HB2 TYR 19 1HB TYR 19 -0.215 5.108 -27.899 110 HB3 TYR 19 2HB TYR 19 -1.958 4.896 -28.012 111 HD1 TYR 19 HD2 TYR 19 -0.527 6.914 -30.614 112 HD2 TYR 19 HD1 TYR 19 -1.349 2.904 -29.454 113 HE1 TYR 19 HE2 TYR 19 -0.285 6.194 -32.953 114 HE2 TYR 19 HE1 TYR 19 -1.108 2.173 -31.790 115 HH TYR 19 HH TYR 19 -1.411 3.528 -34.183 116 H MET 20 HN MET 20 -3.723 6.230 -28.030 117 HA MET 20 HA MET 20 -4.810 6.832 -30.495 118 HB2 MET 20 1HB MET 20 -7.001 7.066 -29.199 119 HB3 MET 20 2HB MET 20 -6.134 5.545 -29.038 120 HG2 MET 20 1HG MET 20 -5.098 6.629 -26.936 121 HG3 MET 20 2HG MET 20 -6.449 7.755 -27.055 122 HE1 MET 20 3HE MET 20 -5.621 4.204 -27.656 123 HE2 MET 20 1HE MET 20 -6.456 3.296 -26.394 124 HE3 MET 20 2HE MET 20 -7.283 3.668 -27.906 125 H LEU 21 HN LEU 21 -5.107 8.859 -27.570 126 HA LEU 21 HA LEU 21 -6.188 11.086 -28.892 127 HB2 LEU 21 1HB LEU 21 -5.469 10.385 -26.261 128 HB3 LEU 21 2HB LEU 21 -4.636 11.895 -26.624 129 HG LEU 21 HG LEU 21 -7.097 12.544 -27.466 130 HD11 LEU 21 1HD1 LEU 21 -8.376 11.542 -25.268 131 HD12 LEU 21 2HD1 LEU 21 -7.422 10.162 -25.811 132 HD13 LEU 21 3HD1 LEU 21 -8.553 10.942 -26.917 133 HD21 LEU 21 3HD2 LEU 21 -6.643 12.693 -24.531 134 HD22 LEU 21 1HD2 LEU 21 -7.160 13.944 -25.663 135 HD23 LEU 21 2HD2 LEU 21 -5.466 13.455 -25.602 136 H GLY 22 HN GLY 22 -2.928 9.958 -28.559 137 HA2 GLY 22 1HA GLY 22 -1.635 12.439 -29.135 138 HA3 GLY 22 2HA GLY 22 -0.903 10.843 -29.209 139 H SER 23 HN SER 23 -2.207 9.534 -31.122 140 HA SER 23 HA SER 23 -1.268 10.805 -33.506 141 HB2 SER 23 1HB SER 23 -1.071 8.639 -34.052 142 HB3 SER 23 2HB SER 23 -2.095 8.155 -32.700 143 HG SER 23 HG SER 23 -2.696 8.033 -35.232 144 H ALA 24 HN ALA 24 -4.351 10.431 -31.941 145 HA ALA 24 HA ALA 24 -6.020 10.983 -34.151 146 HB1 ALA 24 1HB ALA 24 -6.783 9.989 -32.008 147 HB2 ALA 24 2HB ALA 24 -6.589 11.570 -31.250 148 HB3 ALA 24 3HB ALA 24 -7.766 11.351 -32.545 149 H MET 25 HN MET 25 -4.585 13.075 -31.670 150 HA MET 25 HA MET 25 -5.748 15.458 -32.786 151 HB2 MET 25 1HB MET 25 -4.349 14.728 -30.383 152 HB3 MET 25 2HB MET 25 -3.599 16.151 -31.093 153 HG2 MET 25 1HG MET 25 -5.411 17.464 -30.732 154 HG3 MET 25 2HG MET 25 -6.550 16.130 -30.899 155 HE1 MET 25 3HE MET 25 -8.075 16.041 -28.442 156 HE2 MET 25 1HE MET 25 -7.464 17.352 -27.431 157 HE3 MET 25 2HE MET 25 -7.663 17.596 -29.166 158 H SER 26 HN SER 26 -2.799 13.670 -33.153 159 HA SER 26 HA SER 26 -1.261 15.782 -34.304 160 HB2 SER 26 1HB SER 26 -0.950 12.826 -34.009 161 HB3 SER 26 2HB SER 26 0.051 13.656 -35.201 162 HG SER 26 HG SER 26 -0.150 14.653 -32.577 163 H ARG 27 HN ARG 27 -3.455 13.353 -35.537 164 HA ARG 27 HA ARG 27 -2.869 14.168 -38.293 165 HB2 ARG 27 1HB ARG 27 -4.143 11.764 -37.054 166 HB3 ARG 27 2HB ARG 27 -4.576 12.200 -38.702 167 HG2 ARG 27 1HG ARG 27 -2.851 10.788 -39.129 168 HG3 ARG 27 2HG ARG 27 -1.951 12.300 -38.985 169 HD2 ARG 27 1HD ARG 27 -1.388 11.789 -36.691 170 HD3 ARG 27 2HD ARG 27 -2.388 10.337 -36.738 171 HE ARG 27 HE ARG 27 -0.675 9.239 -37.780 172 HH11 ARG 27 1HH1 ARG 27 -0.119 12.670 -37.992 173 HH12 ARG 27 2HH1 ARG 27 1.470 12.503 -38.663 174 HH21 ARG 27 1HH2 ARG 27 1.416 9.007 -38.662 175 HH22 ARG 27 2HH2 ARG 27 2.341 10.419 -39.045 Start of MODEL 8 1 H1 LYS 1 HN LYS 1 0.721 0.637 0.288 2 HA LYS 1 HA LYS 1 3.162 0.938 -1.330 3 HB2 LYS 1 1HB LYS 1 3.106 -1.507 -1.745 4 HB3 LYS 1 2HB LYS 1 3.407 -1.104 -0.060 5 HG2 LYS 1 1HG LYS 1 1.839 -2.652 0.337 6 HG3 LYS 1 2HG LYS 1 0.715 -1.344 -0.041 7 HD2 LYS 1 1HD LYS 1 0.258 -2.168 -2.149 8 HD3 LYS 1 2HD LYS 1 1.786 -3.047 -2.249 9 HE2 LYS 1 1HE LYS 1 0.200 -4.729 -1.960 10 HE3 LYS 1 2HE LYS 1 0.847 -4.484 -0.338 11 HZ1 LYS 1 3HZ LYS 1 -1.438 -4.545 -0.031 12 HZ2 LYS 1 1HZ LYS 1 -1.766 -3.645 -1.425 13 HZ3 LYS 1 2HZ LYS 1 -1.110 -2.886 -0.063 14 H HIS 2 HN HIS 2 0.405 2.012 -1.586 15 HA HIS 2 HA HIS 2 -0.875 0.594 -3.713 16 HB2 HIS 2 1HB HIS 2 -1.842 2.331 -1.983 17 HB3 HIS 2 2HB HIS 2 -1.373 3.502 -3.212 18 HD1 HIS 2 HD1 HIS 2 -3.472 0.342 -2.950 19 HD2 HIS 2 HD2 HIS 2 -3.250 3.870 -5.132 20 HE1 HIS 2 HE1 HIS 2 -5.504 0.345 -4.431 21 H MET 3 HN MET 3 1.959 2.190 -3.690 22 HA MET 3 HA MET 3 1.816 3.858 -5.966 23 HB2 MET 3 1HB MET 3 4.336 3.520 -6.003 24 HB3 MET 3 2HB MET 3 3.658 4.187 -4.523 25 HG2 MET 3 1HG MET 3 4.701 2.600 -3.397 26 HG3 MET 3 2HG MET 3 3.646 1.418 -4.168 27 HE1 MET 3 3HE MET 3 5.731 -0.802 -4.517 28 HE2 MET 3 1HE MET 3 4.210 -0.293 -5.251 29 HE3 MET 3 2HE MET 3 5.610 -0.631 -6.269 30 H ALA 4 HN ALA 4 2.315 0.424 -5.548 31 HA ALA 4 HA ALA 4 3.250 -0.091 -8.191 32 HB1 ALA 4 1HB ALA 4 3.834 -1.767 -6.720 33 HB2 ALA 4 2HB ALA 4 2.252 -1.781 -5.940 34 HB3 ALA 4 3HB ALA 4 2.450 -2.485 -7.545 35 H GLY 5 HN GLY 5 0.078 -0.093 -6.643 36 HA2 GLY 5 1HA GLY 5 -1.310 -1.202 -8.879 37 HA3 GLY 5 2HA GLY 5 -2.039 -0.386 -7.503 38 H ALA 6 HN ALA 6 -0.927 2.117 -7.661 39 HA ALA 6 HA ALA 6 -2.506 3.317 -9.683 40 HB1 ALA 6 1HB ALA 6 -0.605 5.192 -8.757 41 HB2 ALA 6 2HB ALA 6 -2.298 5.030 -8.291 42 HB3 ALA 6 3HB ALA 6 -1.050 4.170 -7.389 43 H ALA 7 HN ALA 7 0.927 2.591 -9.407 44 HA ALA 7 HA ALA 7 1.727 4.049 -11.718 45 HB1 ALA 7 1HB ALA 7 3.853 2.985 -11.463 46 HB2 ALA 7 2HB ALA 7 3.246 3.384 -9.855 47 HB3 ALA 7 3HB ALA 7 3.158 1.724 -10.444 48 H ALA 8 HN ALA 8 0.849 0.676 -11.119 49 HA ALA 8 HA ALA 8 1.488 -0.293 -13.696 50 HB1 ALA 8 1HB ALA 8 0.338 -2.276 -13.085 51 HB2 ALA 8 2HB ALA 8 1.125 -1.674 -11.626 52 HB3 ALA 8 3HB ALA 8 -0.606 -1.430 -11.858 53 H ALA 9 HN ALA 9 -1.571 0.814 -12.265 54 HA ALA 9 HA ALA 9 -3.114 0.392 -14.614 55 HB1 ALA 9 1HB ALA 9 -4.896 1.250 -13.440 56 HB2 ALA 9 2HB ALA 9 -3.854 0.698 -12.128 57 HB3 ALA 9 3HB ALA 9 -3.898 2.407 -12.559 58 H GLY 10 HN GLY 10 -1.345 3.148 -13.309 59 HA2 GLY 10 1HA GLY 10 -2.347 5.032 -15.210 60 HA3 GLY 10 2HA GLY 10 -0.955 5.254 -14.161 61 H ALA 11 HN ALA 11 0.482 2.938 -15.078 62 HA ALA 11 HA ALA 11 1.806 4.095 -17.312 63 HB1 ALA 11 1HB ALA 11 2.136 1.297 -16.245 64 HB2 ALA 11 2HB ALA 11 3.293 2.223 -17.202 65 HB3 ALA 11 3HB ALA 11 2.914 2.721 -15.553 66 H VAL 12 HN VAL 12 -0.342 1.303 -16.921 67 HA VAL 12 HA VAL 12 -0.184 0.398 -19.592 68 HB VAL 12 HB VAL 12 -2.383 -0.740 -19.069 69 HG11 VAL 12 1HG1 VAL 12 -0.019 -1.112 -17.238 70 HG12 VAL 12 2HG1 VAL 12 -1.357 -2.255 -17.367 71 HG13 VAL 12 3HG1 VAL 12 -0.333 -1.933 -18.766 72 HG21 VAL 12 3HG2 VAL 12 -2.028 0.892 -16.605 73 HG22 VAL 12 1HG2 VAL 12 -3.498 0.487 -17.490 74 HG23 VAL 12 2HG2 VAL 12 -2.732 -0.718 -16.456 75 H VAL 13 HN VAL 13 -2.708 2.303 -17.941 76 HA VAL 13 HA VAL 13 -4.275 2.782 -20.220 77 HB VAL 13 HB VAL 13 -4.015 4.524 -17.764 78 HG11 VAL 13 1HG1 VAL 13 -5.263 5.888 -19.058 79 HG12 VAL 13 2HG1 VAL 13 -5.769 4.584 -20.134 80 HG13 VAL 13 3HG1 VAL 13 -6.566 4.803 -18.576 81 HG21 VAL 13 3HG2 VAL 13 -5.208 3.033 -16.611 82 HG22 VAL 13 1HG2 VAL 13 -6.356 2.822 -17.933 83 HG23 VAL 13 2HG2 VAL 13 -4.860 1.889 -17.907 84 H GLY 14 HN GLY 14 -1.592 4.596 -18.798 85 HA2 GLY 14 1HA GLY 14 -1.790 6.874 -20.451 86 HA3 GLY 14 2HA GLY 14 -0.347 6.352 -19.596 87 H GLY 15 HN GLY 15 -0.263 3.751 -20.934 88 HA2 GLY 15 1HA GLY 15 1.295 4.532 -23.193 89 HA3 GLY 15 2HA GLY 15 0.915 2.884 -22.713 90 H LEU 16 HN LEU 16 -1.771 2.740 -22.905 91 HA LEU 16 HA LEU 16 -2.164 2.589 -25.722 92 HB2 LEU 16 1HB LEU 16 -4.453 1.853 -25.113 93 HB3 LEU 16 2HB LEU 16 -3.169 0.934 -24.331 94 HG LEU 16 HG LEU 16 -3.832 2.964 -22.525 95 HD11 LEU 16 1HD1 LEU 16 -6.325 1.658 -23.603 96 HD12 LEU 16 2HD1 LEU 16 -5.878 3.346 -23.846 97 HD13 LEU 16 3HD1 LEU 16 -6.216 2.749 -22.222 98 HD21 LEU 16 3HD2 LEU 16 -4.538 1.140 -21.129 99 HD22 LEU 16 1HD2 LEU 16 -3.138 0.624 -22.071 100 HD23 LEU 16 2HD2 LEU 16 -4.756 0.094 -22.533 101 H GLY 17 HN GLY 17 -3.389 4.710 -23.167 102 HA2 GLY 17 1HA GLY 17 -5.189 6.152 -24.828 103 HA3 GLY 17 2HA GLY 17 -4.585 6.672 -23.261 104 H GLY 18 HN GLY 18 -1.825 6.709 -23.865 105 HA2 GLY 18 1HA GLY 18 -1.614 9.287 -25.026 106 HA3 GLY 18 2HA GLY 18 -0.272 8.236 -24.598 107 H TYR 19 HN TYR 19 -1.201 6.054 -26.313 108 HA TYR 19 HA TYR 19 0.125 6.847 -28.704 109 HB2 TYR 19 1HB TYR 19 0.302 4.562 -27.885 110 HB3 TYR 19 2HB TYR 19 -1.436 4.339 -28.050 111 HD1 TYR 19 HD1 TYR 19 0.078 6.269 -30.673 112 HD2 TYR 19 HD2 TYR 19 -0.774 2.300 -29.398 113 HE1 TYR 19 HE1 TYR 19 0.403 5.467 -32.975 114 HE2 TYR 19 HE2 TYR 19 -0.450 1.486 -31.697 115 HH TYR 19 HH TYR 19 -0.523 2.357 -33.984 116 H MET 20 HN MET 20 -3.203 5.664 -28.176 117 HA MET 20 HA MET 20 -4.207 6.172 -30.697 118 HB2 MET 20 1HB MET 20 -6.442 6.444 -29.485 119 HB3 MET 20 2HB MET 20 -5.576 4.932 -29.240 120 HG2 MET 20 1HG MET 20 -4.616 6.097 -27.144 121 HG3 MET 20 2HG MET 20 -5.965 7.212 -27.350 122 HE1 MET 20 3HE MET 20 -5.980 2.781 -26.526 123 HE2 MET 20 1HE MET 20 -6.758 3.092 -28.079 124 HE3 MET 20 2HE MET 20 -5.108 3.645 -27.793 125 H LEU 21 HN LEU 21 -4.610 8.302 -27.858 126 HA LEU 21 HA LEU 21 -5.652 10.475 -29.296 127 HB2 LEU 21 1HB LEU 21 -5.022 9.873 -26.619 128 HB3 LEU 21 2HB LEU 21 -4.179 11.371 -27.007 129 HG LEU 21 HG LEU 21 -6.372 12.313 -27.761 130 HD11 LEU 21 1HD1 LEU 21 -8.411 11.218 -27.178 131 HD12 LEU 21 2HD1 LEU 21 -7.543 9.904 -26.384 132 HD13 LEU 21 3HD1 LEU 21 -7.447 10.093 -28.134 133 HD21 LEU 21 3HD2 LEU 21 -6.070 11.398 -24.906 134 HD22 LEU 21 1HD2 LEU 21 -7.253 12.591 -25.442 135 HD23 LEU 21 2HD2 LEU 21 -5.529 12.923 -25.610 136 H GLY 22 HN GLY 22 -2.402 9.374 -28.813 137 HA2 GLY 22 1HA GLY 22 -1.098 11.838 -29.435 138 HA3 GLY 22 2HA GLY 22 -0.358 10.244 -29.426 139 H SER 23 HN SER 23 -1.592 8.860 -31.333 140 HA SER 23 HA SER 23 -0.577 10.049 -33.728 141 HB2 SER 23 1HB SER 23 -0.356 7.865 -34.189 142 HB3 SER 23 2HB SER 23 -1.422 7.425 -32.855 143 HG SER 23 HG SER 23 -2.971 7.112 -34.234 144 H ALA 24 HN ALA 24 -3.710 9.718 -32.255 145 HA ALA 24 HA ALA 24 -5.305 10.182 -34.540 146 HB1 ALA 24 1HB ALA 24 -7.106 10.601 -33.009 147 HB2 ALA 24 2HB ALA 24 -6.138 9.264 -32.388 148 HB3 ALA 24 3HB ALA 24 -5.975 10.872 -31.683 149 H MET 25 HN MET 25 -3.962 12.369 -32.089 150 HA MET 25 HA MET 25 -5.094 14.705 -33.330 151 HB2 MET 25 1HB MET 25 -3.775 14.069 -30.856 152 HB3 MET 25 2HB MET 25 -3.005 15.468 -31.592 153 HG2 MET 25 1HG MET 25 -4.912 16.755 -31.465 154 HG3 MET 25 2HG MET 25 -5.976 15.354 -31.376 155 HE1 MET 25 3HE MET 25 -2.708 15.515 -29.209 156 HE2 MET 25 1HE MET 25 -3.088 17.215 -29.489 157 HE3 MET 25 2HE MET 25 -3.227 16.536 -27.867 158 H SER 26 HN SER 26 -2.128 12.918 -33.532 159 HA SER 26 HA SER 26 -0.559 14.993 -34.707 160 HB2 SER 26 1HB SER 26 -0.243 12.016 -34.433 161 HB3 SER 26 2HB SER 26 0.872 12.948 -35.431 162 HG SER 26 HG SER 26 1.172 12.581 -32.950 163 H ARG 27 HN ARG 27 -2.702 12.512 -35.923 164 HA ARG 27 HA ARG 27 -3.460 12.003 -38.010 165 HB2 ARG 27 1HB ARG 27 -2.942 14.959 -38.222 166 HB3 ARG 27 2HB ARG 27 -3.594 14.046 -39.575 167 HG2 ARG 27 1HG ARG 27 -5.630 14.199 -38.730 168 HG3 ARG 27 2HG ARG 27 -5.097 13.411 -37.243 169 HD2 ARG 27 1HD ARG 27 -4.839 15.378 -36.132 170 HD3 ARG 27 2HD ARG 27 -4.386 16.264 -37.587 171 HE ARG 27 HE ARG 27 -6.996 15.732 -38.002 172 HH11 ARG 27 1HH1 ARG 27 -5.260 17.119 -35.323 173 HH12 ARG 27 2HH1 ARG 27 -6.581 18.119 -34.816 174 HH21 ARG 27 1HH2 ARG 27 -8.742 17.043 -37.345 175 HH22 ARG 27 2HH2 ARG 27 -8.562 18.074 -35.966 Start of MODEL 9 1 H1 LYS 1 HN LYS 1 3.373 1.377 -0.172 2 HA LYS 1 HA LYS 1 3.097 -0.926 -1.420 3 HB2 LYS 1 1HB LYS 1 2.138 -0.239 0.858 4 HB3 LYS 1 2HB LYS 1 0.668 0.169 -0.016 5 HG2 LYS 1 1HG LYS 1 1.828 -2.527 -0.445 6 HG3 LYS 1 2HG LYS 1 1.032 -2.200 1.096 7 HD2 LYS 1 1HD LYS 1 -0.249 -1.629 -1.569 8 HD3 LYS 1 2HD LYS 1 -0.431 -3.168 -0.725 9 HE2 LYS 1 1HE LYS 1 -0.993 -0.657 0.769 10 HE3 LYS 1 2HE LYS 1 -2.172 -1.201 -0.424 11 HZ1 LYS 1 3HZ LYS 1 -2.074 -2.032 2.135 12 HZ2 LYS 1 1HZ LYS 1 -1.242 -3.277 1.347 13 HZ3 LYS 1 2HZ LYS 1 -2.818 -2.882 0.876 14 H HIS 2 HN HIS 2 0.478 1.486 -1.686 15 HA HIS 2 HA HIS 2 -0.760 0.108 -3.863 16 HB2 HIS 2 1HB HIS 2 -1.913 1.616 -2.162 17 HB3 HIS 2 2HB HIS 2 -1.253 2.976 -3.066 18 HD1 HIS 2 HD1 HIS 2 -3.460 -0.056 -3.692 19 HD2 HIS 2 HD2 HIS 2 -2.835 3.800 -5.107 20 HE1 HIS 2 HE1 HIS 2 -5.271 0.338 -5.391 21 H MET 3 HN MET 3 2.040 1.761 -3.773 22 HA MET 3 HA MET 3 1.875 3.495 -5.997 23 HB2 MET 3 1HB MET 3 4.400 3.213 -6.029 24 HB3 MET 3 2HB MET 3 3.702 3.814 -4.531 25 HG2 MET 3 1HG MET 3 4.783 2.215 -3.459 26 HG3 MET 3 2HG MET 3 3.745 1.040 -4.261 27 HE1 MET 3 3HE MET 3 4.338 -0.635 -5.386 28 HE2 MET 3 1HE MET 3 5.747 -0.929 -6.406 29 HE3 MET 3 2HE MET 3 5.867 -1.129 -4.658 30 H ALA 4 HN ALA 4 2.440 0.060 -5.683 31 HA ALA 4 HA ALA 4 3.401 -0.354 -8.334 32 HB1 ALA 4 1HB ALA 4 4.010 -2.067 -6.924 33 HB2 ALA 4 2HB ALA 4 2.432 -2.128 -6.138 34 HB3 ALA 4 3HB ALA 4 2.634 -2.782 -7.763 35 H GLY 5 HN GLY 5 0.219 -0.467 -6.808 36 HA2 GLY 5 1HA GLY 5 -1.132 -1.531 -9.087 37 HA3 GLY 5 2HA GLY 5 -1.886 -0.774 -7.692 38 H ALA 6 HN ALA 6 -0.823 1.754 -7.763 39 HA ALA 6 HA ALA 6 -2.414 2.986 -9.757 40 HB1 ALA 6 1HB ALA 6 -0.555 4.868 -8.760 41 HB2 ALA 6 2HB ALA 6 -2.248 4.658 -8.310 42 HB3 ALA 6 3HB ALA 6 -0.987 3.795 -7.428 43 H ALA 7 HN ALA 7 1.032 2.320 -9.482 44 HA ALA 7 HA ALA 7 1.815 3.865 -11.741 45 HB1 ALA 7 1HB ALA 7 3.336 3.173 -9.890 46 HB2 ALA 7 2HB ALA 7 3.285 1.530 -10.531 47 HB3 ALA 7 3HB ALA 7 3.961 2.836 -11.505 48 H ALA 8 HN ALA 8 1.002 0.458 -11.252 49 HA ALA 8 HA ALA 8 1.675 -0.417 -13.855 50 HB1 ALA 8 1HB ALA 8 -0.407 -1.652 -12.067 51 HB2 ALA 8 2HB ALA 8 0.562 -2.441 -13.312 52 HB3 ALA 8 3HB ALA 8 1.327 -1.868 -11.830 53 H ALA 9 HN ALA 9 -1.414 0.585 -12.410 54 HA ALA 9 HA ALA 9 -2.934 0.205 -14.781 55 HB1 ALA 9 1HB ALA 9 -3.503 1.839 -12.312 56 HB2 ALA 9 2HB ALA 9 -4.668 1.524 -13.599 57 HB3 ALA 9 3HB ALA 9 -4.030 0.188 -12.640 58 H GLY 10 HN GLY 10 -1.228 2.954 -13.379 59 HA2 GLY 10 1HA GLY 10 -2.256 4.876 -15.227 60 HA3 GLY 10 2HA GLY 10 -0.875 5.092 -14.163 61 H ALA 11 HN ALA 11 0.613 2.835 -15.141 62 HA ALA 11 HA ALA 11 1.927 4.088 -17.330 63 HB1 ALA 11 1HB ALA 11 2.309 1.262 -16.358 64 HB2 ALA 11 2HB ALA 11 3.454 2.251 -17.265 65 HB3 ALA 11 3HB ALA 11 3.045 2.675 -15.603 66 H VAL 12 HN VAL 12 -0.167 1.242 -17.040 67 HA VAL 12 HA VAL 12 0.024 0.425 -19.737 68 HB VAL 12 HB VAL 12 -2.154 -0.772 -19.264 69 HG11 VAL 12 1HG1 VAL 12 -1.108 -2.317 -17.599 70 HG12 VAL 12 2HG1 VAL 12 -0.085 -1.935 -18.985 71 HG13 VAL 12 3HG1 VAL 12 0.206 -1.154 -17.431 72 HG21 VAL 12 3HG2 VAL 12 -1.846 0.789 -16.748 73 HG22 VAL 12 1HG2 VAL 12 -3.303 0.383 -17.655 74 HG23 VAL 12 2HG2 VAL 12 -2.519 -0.839 -16.654 75 H VAL 13 HN VAL 13 -2.547 2.227 -18.044 76 HA VAL 13 HA VAL 13 -4.109 2.747 -20.317 77 HB VAL 13 HB VAL 13 -3.899 4.415 -17.806 78 HG11 VAL 13 1HG1 VAL 13 -6.491 4.527 -18.768 79 HG12 VAL 13 2HG1 VAL 13 -5.271 5.796 -18.893 80 HG13 VAL 13 3HG1 VAL 13 -5.494 4.652 -20.217 81 HG21 VAL 13 3HG2 VAL 13 -5.068 2.865 -16.708 82 HG22 VAL 13 1HG2 VAL 13 -6.205 2.673 -18.043 83 HG23 VAL 13 2HG2 VAL 13 -4.690 1.770 -18.037 84 H GLY 14 HN GLY 14 -1.471 4.567 -18.822 85 HA2 GLY 14 1HA GLY 14 -1.706 6.892 -20.404 86 HA3 GLY 14 2HA GLY 14 -0.257 6.372 -19.556 87 H GLY 15 HN GLY 15 -0.113 3.817 -20.974 88 HA2 GLY 15 1HA GLY 15 1.442 4.698 -23.197 89 HA3 GLY 15 2HA GLY 15 1.093 3.029 -22.772 90 H LEU 16 HN LEU 16 -1.589 2.838 -22.986 91 HA LEU 16 HA LEU 16 -1.962 2.768 -25.809 92 HB2 LEU 16 1HB LEU 16 -4.240 1.968 -25.238 93 HB3 LEU 16 2HB LEU 16 -2.942 1.050 -24.477 94 HG LEU 16 HG LEU 16 -3.655 3.008 -22.612 95 HD11 LEU 16 1HD1 LEU 16 -5.701 3.391 -23.934 96 HD12 LEU 16 2HD1 LEU 16 -6.037 2.736 -22.331 97 HD13 LEU 16 3HD1 LEU 16 -6.116 1.686 -23.746 98 HD21 LEU 16 3HD2 LEU 16 -4.523 0.123 -22.715 99 HD22 LEU 16 1HD2 LEU 16 -4.332 1.128 -21.279 100 HD23 LEU 16 2HD2 LEU 16 -2.918 0.669 -22.228 101 H GLY 17 HN GLY 17 -3.244 4.782 -23.197 102 HA2 GLY 17 1HA GLY 17 -5.063 6.240 -24.823 103 HA3 GLY 17 2HA GLY 17 -4.479 6.722 -23.236 104 H GLY 18 HN GLY 18 -1.717 6.833 -23.821 105 HA2 GLY 18 1HA GLY 18 -1.551 9.450 -24.899 106 HA3 GLY 18 2HA GLY 18 -0.191 8.413 -24.496 107 H TYR 19 HN TYR 19 -1.066 6.268 -26.284 108 HA TYR 19 HA TYR 19 0.258 7.162 -28.640 109 HB2 TYR 19 1HB TYR 19 0.477 4.857 -27.893 110 HB3 TYR 19 2HB TYR 19 -1.255 4.604 -28.076 111 HD1 TYR 19 HD1 TYR 19 0.235 6.645 -30.627 112 HD2 TYR 19 HD2 TYR 19 -0.544 2.622 -29.483 113 HE1 TYR 19 HE1 TYR 19 0.590 5.923 -32.951 114 HE2 TYR 19 HE2 TYR 19 -0.191 1.888 -31.804 115 HH TYR 19 HH TYR 19 -0.053 2.631 -33.969 116 H MET 20 HN MET 20 -3.048 5.897 -28.171 117 HA MET 20 HA MET 20 -4.048 6.464 -30.682 118 HB2 MET 20 1HB MET 20 -6.294 6.652 -29.476 119 HB3 MET 20 2HB MET 20 -5.400 5.152 -29.273 120 HG2 MET 20 1HG MET 20 -4.475 6.269 -27.136 121 HG3 MET 20 2HG MET 20 -5.845 7.362 -27.316 122 HE1 MET 20 3HE MET 20 -4.913 3.829 -27.865 123 HE2 MET 20 1HE MET 20 -5.777 2.907 -26.633 124 HE3 MET 20 2HE MET 20 -6.551 3.254 -28.179 125 H LEU 21 HN LEU 21 -4.510 8.495 -27.780 126 HA LEU 21 HA LEU 21 -5.587 10.691 -29.156 127 HB2 LEU 21 1HB LEU 21 -4.962 10.017 -26.495 128 HB3 LEU 21 2HB LEU 21 -4.146 11.543 -26.831 129 HG LEU 21 HG LEU 21 -6.514 12.242 -27.734 130 HD11 LEU 21 1HD1 LEU 21 -7.394 10.347 -25.594 131 HD12 LEU 21 2HD1 LEU 21 -7.297 9.821 -27.274 132 HD13 LEU 21 3HD1 LEU 21 -8.351 11.163 -26.830 133 HD21 LEU 21 3HD2 LEU 21 -5.211 12.355 -25.141 134 HD22 LEU 21 1HD2 LEU 21 -6.966 12.489 -25.021 135 HD23 LEU 21 2HD2 LEU 21 -6.064 13.614 -26.036 136 H GLY 22 HN GLY 22 -2.319 9.640 -28.687 137 HA2 GLY 22 1HA GLY 22 -1.061 12.149 -29.222 138 HA3 GLY 22 2HA GLY 22 -0.289 10.570 -29.258 139 H SER 23 HN SER 23 -1.484 9.223 -31.216 140 HA SER 23 HA SER 23 -0.479 10.506 -33.566 141 HB2 SER 23 1HB SER 23 -0.210 8.343 -34.093 142 HB3 SER 23 2HB SER 23 -1.277 7.840 -32.781 143 HG SER 23 HG SER 23 -1.818 7.510 -35.217 144 H ALA 24 HN ALA 24 -3.613 10.066 -32.125 145 HA ALA 24 HA ALA 24 -5.203 10.571 -34.404 146 HB1 ALA 24 1HB ALA 24 -6.029 9.568 -32.288 147 HB2 ALA 24 2HB ALA 24 -5.904 11.156 -31.531 148 HB3 ALA 24 3HB ALA 24 -7.022 10.904 -32.872 149 H MET 25 HN MET 25 -3.919 12.706 -31.877 150 HA MET 25 HA MET 25 -5.090 15.056 -33.051 151 HB2 MET 25 1HB MET 25 -3.775 14.369 -30.589 152 HB3 MET 25 2HB MET 25 -3.028 15.805 -31.276 153 HG2 MET 25 1HG MET 25 -5.322 16.786 -31.481 154 HG3 MET 25 2HG MET 25 -5.918 15.407 -30.559 155 HE1 MET 25 3HE MET 25 -5.868 16.685 -27.166 156 HE2 MET 25 1HE MET 25 -6.719 15.936 -28.518 157 HE3 MET 25 2HE MET 25 -5.342 15.116 -27.780 158 H SER 26 HN SER 26 -2.089 13.336 -33.290 159 HA SER 26 HA SER 26 -0.554 15.479 -34.388 160 HB2 SER 26 1HB SER 26 -0.187 12.538 -34.047 161 HB3 SER 26 2HB SER 26 0.830 13.365 -35.226 162 HG SER 26 HG SER 26 0.548 14.465 -32.664 163 H ARG 27 HN ARG 27 -2.639 12.994 -35.696 164 HA ARG 27 HA ARG 27 -3.416 12.571 -37.793 165 HB2 ARG 27 1HB ARG 27 -2.657 15.431 -38.395 166 HB3 ARG 27 2HB ARG 27 -3.885 14.461 -39.197 167 HG2 ARG 27 1HG ARG 27 -4.014 15.240 -36.295 168 HG3 ARG 27 2HG ARG 27 -4.758 16.168 -37.599 169 HD2 ARG 27 1HD ARG 27 -5.331 13.254 -37.110 170 HD3 ARG 27 2HD ARG 27 -6.274 14.556 -36.386 171 HE ARG 27 HE ARG 27 -6.050 14.762 -39.239 172 HH11 ARG 27 1HH1 ARG 27 -7.820 13.315 -36.614 173 HH12 ARG 27 2HH1 ARG 27 -9.266 13.090 -37.541 174 HH21 ARG 27 1HH2 ARG 27 -7.948 14.471 -40.471 175 HH22 ARG 27 2HH2 ARG 27 -9.338 13.746 -39.735 Start of MODEL 10 1 H1 LYS 1 HN LYS 1 2.096 1.262 -0.020 2 HA LYS 1 HA LYS 1 3.318 -0.564 -1.843 3 HB2 LYS 1 1HB LYS 1 2.435 -1.239 0.372 4 HB3 LYS 1 2HB LYS 1 0.805 -0.903 -0.196 5 HG2 LYS 1 1HG LYS 1 1.365 -2.601 -2.064 6 HG3 LYS 1 2HG LYS 1 2.661 -3.109 -0.979 7 HD2 LYS 1 1HD LYS 1 1.120 -3.695 0.728 8 HD3 LYS 1 2HD LYS 1 -0.215 -2.901 -0.111 9 HE2 LYS 1 1HE LYS 1 -0.656 -5.043 -0.724 10 HE3 LYS 1 2HE LYS 1 0.478 -4.632 -2.010 11 HZ1 LYS 1 3HZ LYS 1 2.072 -5.501 0.018 12 HZ2 LYS 1 1HZ LYS 1 1.615 -6.404 -1.338 13 HZ3 LYS 1 2HZ LYS 1 0.742 -6.543 0.103 14 H HIS 2 HN HIS 2 0.425 1.385 -1.859 15 HA HIS 2 HA HIS 2 -0.834 0.038 -4.044 16 HB2 HIS 2 1HB HIS 2 -2.344 1.995 -4.082 17 HB3 HIS 2 2HB HIS 2 -2.166 1.325 -2.463 18 HD1 HIS 2 HD1 HIS 2 -0.661 4.145 -4.530 19 HD2 HIS 2 HD2 HIS 2 -1.600 3.197 -0.595 20 HE1 HIS 2 HE1 HIS 2 -0.143 6.214 -3.198 21 H MET 3 HN MET 3 1.946 1.725 -3.967 22 HA MET 3 HA MET 3 1.719 3.505 -6.149 23 HB2 MET 3 1HB MET 3 4.248 3.254 -6.231 24 HB3 MET 3 2HB MET 3 3.568 3.820 -4.712 25 HG2 MET 3 1HG MET 3 4.673 2.211 -3.680 26 HG3 MET 3 2HG MET 3 3.651 1.036 -4.505 27 HE1 MET 3 3HE MET 3 4.259 -0.590 -5.685 28 HE2 MET 3 1HE MET 3 5.656 -0.824 -6.736 29 HE3 MET 3 2HE MET 3 5.806 -1.090 -4.999 30 H ALA 4 HN ALA 4 2.337 0.073 -5.920 31 HA ALA 4 HA ALA 4 3.254 -0.270 -8.597 32 HB1 ALA 4 1HB ALA 4 2.544 -2.720 -8.072 33 HB2 ALA 4 2HB ALA 4 3.912 -2.000 -7.222 34 HB3 ALA 4 3HB ALA 4 2.340 -2.111 -6.430 35 H GLY 5 HN GLY 5 0.104 -0.462 -7.015 36 HA2 GLY 5 1HA GLY 5 -1.275 -1.497 -9.292 37 HA3 GLY 5 2HA GLY 5 -2.013 -0.780 -7.867 38 H ALA 6 HN ALA 6 -0.987 1.764 -7.903 39 HA ALA 6 HA ALA 6 -2.631 3.015 -9.841 40 HB1 ALA 6 1HB ALA 6 -1.173 3.794 -7.521 41 HB2 ALA 6 2HB ALA 6 -0.783 4.902 -8.838 42 HB3 ALA 6 3HB ALA 6 -2.463 4.656 -8.360 43 H ALA 7 HN ALA 7 0.828 2.392 -9.643 44 HA ALA 7 HA ALA 7 1.548 3.997 -11.882 45 HB1 ALA 7 1HB ALA 7 3.071 1.657 -10.749 46 HB2 ALA 7 2HB ALA 7 3.711 2.993 -11.707 47 HB3 ALA 7 3HB ALA 7 3.112 3.286 -10.074 48 H ALA 8 HN ALA 8 0.791 0.568 -11.452 49 HA ALA 8 HA ALA 8 1.429 -0.241 -14.085 50 HB1 ALA 8 1HB ALA 8 0.355 -2.292 -13.567 51 HB2 ALA 8 2HB ALA 8 1.138 -1.740 -12.085 52 HB3 ALA 8 3HB ALA 8 -0.603 -1.545 -12.287 53 H ALA 9 HN ALA 9 -1.647 0.685 -12.563 54 HA ALA 9 HA ALA 9 -3.205 0.334 -14.914 55 HB1 ALA 9 1HB ALA 9 -3.961 0.438 -12.446 56 HB2 ALA 9 2HB ALA 9 -3.988 2.184 -12.695 57 HB3 ALA 9 3HB ALA 9 -5.002 1.137 -13.686 58 H GLY 10 HN GLY 10 -1.514 3.077 -13.482 59 HA2 GLY 10 1HA GLY 10 -2.603 5.024 -15.269 60 HA3 GLY 10 2HA GLY 10 -1.205 5.237 -14.225 61 H ALA 11 HN ALA 11 0.297 3.024 -15.280 62 HA ALA 11 HA ALA 11 1.552 4.343 -17.464 63 HB1 ALA 11 1HB ALA 11 2.910 3.062 -15.983 64 HB2 ALA 11 2HB ALA 11 1.955 1.607 -16.271 65 HB3 ALA 11 3HB ALA 11 2.957 2.274 -17.560 66 H VAL 12 HN VAL 12 -0.495 1.462 -17.199 67 HA VAL 12 HA VAL 12 -0.341 0.705 -19.916 68 HB VAL 12 HB VAL 12 -2.493 -0.534 -19.430 69 HG11 VAL 12 1HG1 VAL 12 -0.403 -1.671 -19.212 70 HG12 VAL 12 2HG1 VAL 12 -0.096 -0.920 -17.645 71 HG13 VAL 12 3HG1 VAL 12 -1.397 -2.099 -17.820 72 HG21 VAL 12 3HG2 VAL 12 -2.815 -0.661 -16.819 73 HG22 VAL 12 1HG2 VAL 12 -2.161 0.975 -16.885 74 HG23 VAL 12 2HG2 VAL 12 -3.629 0.576 -17.777 75 H VAL 13 HN VAL 13 -2.906 2.433 -18.138 76 HA VAL 13 HA VAL 13 -4.517 2.979 -20.371 77 HB VAL 13 HB VAL 13 -4.284 4.595 -17.829 78 HG11 VAL 13 1HG1 VAL 13 -5.916 4.874 -20.206 79 HG12 VAL 13 2HG1 VAL 13 -6.896 4.686 -18.751 80 HG13 VAL 13 3HG1 VAL 13 -5.700 5.979 -18.850 81 HG21 VAL 13 3HG2 VAL 13 -5.411 3.005 -16.744 82 HG22 VAL 13 1HG2 VAL 13 -6.571 2.829 -18.061 83 HG23 VAL 13 2HG2 VAL 13 -5.045 1.945 -18.106 84 H GLY 14 HN GLY 14 -1.878 4.805 -18.884 85 HA2 GLY 14 1HA GLY 14 -2.174 7.159 -20.412 86 HA3 GLY 14 2HA GLY 14 -0.703 6.642 -19.601 87 H GLY 15 HN GLY 15 -0.549 4.120 -21.077 88 HA2 GLY 15 1HA GLY 15 0.953 5.071 -23.308 89 HA3 GLY 15 2HA GLY 15 0.635 3.389 -22.912 90 H LEU 16 HN LEU 16 -2.047 3.164 -23.082 91 HA LEU 16 HA LEU 16 -2.471 3.148 -25.899 92 HB2 LEU 16 1HB LEU 16 -4.726 2.304 -25.305 93 HB3 LEU 16 2HB LEU 16 -3.402 1.389 -24.587 94 HG LEU 16 HG LEU 16 -4.109 3.297 -22.668 95 HD11 LEU 16 1HD1 LEU 16 -6.482 2.985 -22.352 96 HD12 LEU 16 2HD1 LEU 16 -6.571 1.967 -23.789 97 HD13 LEU 16 3HD1 LEU 16 -6.183 3.680 -23.945 98 HD21 LEU 16 3HD2 LEU 16 -3.334 0.961 -22.345 99 HD22 LEU 16 1HD2 LEU 16 -4.938 0.402 -22.818 100 HD23 LEU 16 2HD2 LEU 16 -4.739 1.379 -21.363 101 H GLY 17 HN GLY 17 -3.733 5.089 -23.221 102 HA2 GLY 17 1HA GLY 17 -5.601 6.555 -24.783 103 HA3 GLY 17 2HA GLY 17 -4.995 7.011 -23.198 104 H GLY 18 HN GLY 18 -2.246 7.173 -23.828 105 HA2 GLY 18 1HA GLY 18 -2.135 9.815 -24.853 106 HA3 GLY 18 2HA GLY 18 -0.754 8.789 -24.496 107 H TYR 19 HN TYR 19 -1.631 6.670 -26.314 108 HA TYR 19 HA TYR 19 -0.362 7.633 -28.674 109 HB2 TYR 19 1HB TYR 19 -0.099 5.315 -27.980 110 HB3 TYR 19 2HB TYR 19 -1.830 5.042 -28.137 111 HD1 TYR 19 HD2 TYR 19 -0.415 7.157 -30.670 112 HD2 TYR 19 HD1 TYR 19 -1.115 3.100 -29.598 113 HE1 TYR 19 HE2 TYR 19 -0.094 6.488 -33.015 114 HE2 TYR 19 HE1 TYR 19 -0.795 2.420 -31.940 115 HH TYR 19 HH TYR 19 -0.815 3.289 -34.129 116 H MET 20 HN MET 20 -3.642 6.311 -28.174 117 HA MET 20 HA MET 20 -4.694 6.918 -30.653 118 HB2 MET 20 1HB MET 20 -6.921 7.049 -29.405 119 HB3 MET 20 2HB MET 20 -6.003 5.557 -29.250 120 HG2 MET 20 1HG MET 20 -5.055 6.641 -27.106 121 HG3 MET 20 2HG MET 20 -6.443 7.719 -27.238 122 HE1 MET 20 3HE MET 20 -6.301 3.253 -26.651 123 HE2 MET 20 1HE MET 20 -7.108 3.619 -28.176 124 HE3 MET 20 2HE MET 20 -5.474 4.211 -27.879 125 H LEU 21 HN LEU 21 -5.132 8.880 -27.702 126 HA LEU 21 HA LEU 21 -6.264 11.090 -29.011 127 HB2 LEU 21 1HB LEU 21 -5.579 10.369 -26.376 128 HB3 LEU 21 2HB LEU 21 -4.793 11.914 -26.694 129 HG LEU 21 HG LEU 21 -7.179 12.608 -27.532 130 HD11 LEU 21 1HD1 LEU 21 -8.177 10.819 -25.412 131 HD12 LEU 21 2HD1 LEU 21 -7.798 10.059 -26.957 132 HD13 LEU 21 3HD1 LEU 21 -8.960 11.384 -26.889 133 HD21 LEU 21 3HD2 LEU 21 -7.340 13.794 -25.617 134 HD22 LEU 21 1HD2 LEU 21 -5.723 13.146 -25.340 135 HD23 LEU 21 2HD2 LEU 21 -7.122 12.376 -24.590 136 H GLY 22 HN GLY 22 -2.973 10.075 -28.622 137 HA2 GLY 22 1HA GLY 22 -1.759 12.611 -29.125 138 HA3 GLY 22 2HA GLY 22 -0.967 11.045 -29.209 139 H SER 23 HN SER 23 -2.178 9.723 -31.173 140 HA SER 23 HA SER 23 -1.233 11.070 -33.513 141 HB2 SER 23 1HB SER 23 -0.944 8.922 -34.091 142 HB3 SER 23 2HB SER 23 -1.980 8.377 -32.772 143 HG SER 23 HG SER 23 -2.751 7.821 -34.900 144 H ALA 24 HN ALA 24 -4.334 10.555 -32.027 145 HA ALA 24 HA ALA 24 -5.972 11.086 -34.266 146 HB1 ALA 24 1HB ALA 24 -7.767 11.362 -32.696 147 HB2 ALA 24 2HB ALA 24 -6.747 10.027 -32.157 148 HB3 ALA 24 3HB ALA 24 -6.629 11.601 -31.370 149 H MET 25 HN MET 25 -4.672 13.185 -31.716 150 HA MET 25 HA MET 25 -5.896 15.543 -32.819 151 HB2 MET 25 1HB MET 25 -4.528 14.822 -30.396 152 HB3 MET 25 2HB MET 25 -3.811 16.281 -31.065 153 HG2 MET 25 1HG MET 25 -5.450 17.161 -29.739 154 HG3 MET 25 2HG MET 25 -6.285 17.059 -31.287 155 HE1 MET 25 3HE MET 25 -7.093 15.065 -27.381 156 HE2 MET 25 1HE MET 25 -5.964 16.341 -27.839 157 HE3 MET 25 2HE MET 25 -7.693 16.680 -27.761 158 H SER 26 HN SER 26 -2.876 13.871 -33.148 159 HA SER 26 HA SER 26 -1.391 16.057 -34.227 160 HB2 SER 26 1HB SER 26 -0.977 13.121 -33.936 161 HB3 SER 26 2HB SER 26 -0.005 13.965 -35.140 162 HG SER 26 HG SER 26 1.102 14.871 -33.597 163 H ARG 27 HN ARG 27 -3.465 13.572 -35.551 164 HA ARG 27 HA ARG 27 -2.782 14.308 -38.287 165 HB2 ARG 27 1HB ARG 27 -4.305 12.093 -37.001 166 HB3 ARG 27 2HB ARG 27 -4.723 12.527 -38.653 167 HG2 ARG 27 1HG ARG 27 -3.160 10.868 -38.963 168 HG3 ARG 27 2HG ARG 27 -2.176 12.327 -39.084 169 HD2 ARG 27 1HD ARG 27 -1.570 12.070 -36.703 170 HD3 ARG 27 2HD ARG 27 -2.488 10.566 -36.656 171 HE ARG 27 HE ARG 27 -0.727 10.213 -38.705 172 HH11 ARG 27 1HH1 ARG 27 -0.435 11.060 -35.340 173 HH12 ARG 27 2HH1 ARG 27 1.127 10.332 -35.158 174 HH21 ARG 27 1HH2 ARG 27 1.329 9.251 -38.477 175 HH22 ARG 27 2HH2 ARG 27 2.130 9.304 -36.944 Start of MODEL 11 1 H1 LYS 1 HN LYS 1 2.955 1.315 0.185 2 HA LYS 1 HA LYS 1 3.510 -0.345 -1.765 3 HB2 LYS 1 1HB LYS 1 2.565 -0.944 0.516 4 HB3 LYS 1 2HB LYS 1 0.968 -0.815 -0.209 5 HG2 LYS 1 1HG LYS 1 2.955 -2.563 -1.548 6 HG3 LYS 1 2HG LYS 1 2.250 -3.118 -0.029 7 HD2 LYS 1 1HD LYS 1 0.174 -3.367 -0.926 8 HD3 LYS 1 2HD LYS 1 0.386 -2.031 -2.060 9 HE2 LYS 1 1HE LYS 1 0.402 -3.838 -3.484 10 HE3 LYS 1 2HE LYS 1 2.124 -3.631 -3.171 11 HZ1 LYS 1 3HZ LYS 1 0.900 -5.333 -1.241 12 HZ2 LYS 1 1HZ LYS 1 2.232 -5.628 -2.241 13 HZ3 LYS 1 2HZ LYS 1 0.667 -5.921 -2.810 14 H HIS 2 HN HIS 2 0.664 1.647 -1.751 15 HA HIS 2 HA HIS 2 -0.674 0.309 -3.894 16 HB2 HIS 2 1HB HIS 2 -1.041 2.890 -2.431 17 HB3 HIS 2 2HB HIS 2 -1.867 2.664 -3.970 18 HD1 HIS 2 HD1 HIS 2 -3.657 0.737 -4.069 19 HD2 HIS 2 HD2 HIS 2 -2.127 1.528 -0.288 20 HE1 HIS 2 HE1 HIS 2 -5.224 -0.394 -2.460 21 H MET 3 HN MET 3 2.157 1.910 -3.890 22 HA MET 3 HA MET 3 1.946 3.665 -6.095 23 HB2 MET 3 1HB MET 3 4.465 3.335 -6.217 24 HB3 MET 3 2HB MET 3 3.829 3.942 -4.693 25 HG2 MET 3 1HG MET 3 4.906 2.315 -3.661 26 HG3 MET 3 2HG MET 3 3.831 1.161 -4.446 27 HE1 MET 3 3HE MET 3 5.908 -1.039 -4.944 28 HE2 MET 3 1HE MET 3 4.365 -0.505 -5.610 29 HE3 MET 3 2HE MET 3 5.733 -0.799 -6.683 30 H ALA 4 HN ALA 4 2.462 0.218 -5.825 31 HA ALA 4 HA ALA 4 3.321 -0.192 -8.511 32 HB1 ALA 4 1HB ALA 4 2.541 -2.611 -7.936 33 HB2 ALA 4 2HB ALA 4 3.950 -1.923 -7.127 34 HB3 ALA 4 3HB ALA 4 2.393 -1.969 -6.300 35 H GLY 5 HN GLY 5 0.195 -0.262 -6.874 36 HA2 GLY 5 1HA GLY 5 -1.255 -1.286 -9.111 37 HA3 GLY 5 2HA GLY 5 -1.946 -0.526 -7.684 38 H ALA 6 HN ALA 6 -0.842 1.983 -7.776 39 HA ALA 6 HA ALA 6 -2.481 3.257 -9.704 40 HB1 ALA 6 1HB ALA 6 -0.555 5.099 -8.761 41 HB2 ALA 6 2HB ALA 6 -2.235 4.915 -8.253 42 HB3 ALA 6 3HB ALA 6 -0.960 4.025 -7.421 43 H ALA 7 HN ALA 7 0.961 2.530 -9.556 44 HA ALA 7 HA ALA 7 1.691 4.079 -11.830 45 HB1 ALA 7 1HB ALA 7 3.263 3.346 -10.039 46 HB2 ALA 7 2HB ALA 7 3.161 1.710 -10.689 47 HB3 ALA 7 3HB ALA 7 3.825 3.011 -11.677 48 H ALA 8 HN ALA 8 0.836 0.682 -11.337 49 HA ALA 8 HA ALA 8 1.401 -0.184 -13.967 50 HB1 ALA 8 1HB ALA 8 1.101 -1.644 -11.942 51 HB2 ALA 8 2HB ALA 8 -0.637 -1.397 -12.115 52 HB3 ALA 8 3HB ALA 8 0.273 -2.193 -13.399 53 H ALA 9 HN ALA 9 -1.617 0.859 -12.407 54 HA ALA 9 HA ALA 9 -3.226 0.523 -14.726 55 HB1 ALA 9 1HB ALA 9 -3.580 1.781 -12.057 56 HB2 ALA 9 2HB ALA 9 -4.712 2.211 -13.339 57 HB3 ALA 9 3HB ALA 9 -4.529 0.526 -12.852 58 H GLY 10 HN GLY 10 -1.425 3.232 -13.366 59 HA2 GLY 10 1HA GLY 10 -2.484 5.186 -15.162 60 HA3 GLY 10 2HA GLY 10 -1.062 5.370 -14.146 61 H ALA 11 HN ALA 11 0.351 3.095 -15.193 62 HA ALA 11 HA ALA 11 1.608 4.342 -17.418 63 HB1 ALA 11 1HB ALA 11 2.756 2.893 -15.735 64 HB2 ALA 11 2HB ALA 11 1.978 1.501 -16.489 65 HB3 ALA 11 3HB ALA 11 3.110 2.487 -17.415 66 H VAL 12 HN VAL 12 -0.523 1.531 -17.074 67 HA VAL 12 HA VAL 12 -0.441 0.731 -19.782 68 HB VAL 12 HB VAL 12 -2.621 -0.432 -19.240 69 HG11 VAL 12 1HG1 VAL 12 -1.545 -2.008 -17.625 70 HG12 VAL 12 2HG1 VAL 12 -0.564 -1.633 -19.044 71 HG13 VAL 12 3HG1 VAL 12 -0.205 -0.869 -17.495 72 HG21 VAL 12 3HG2 VAL 12 -2.199 1.104 -16.726 73 HG22 VAL 12 1HG2 VAL 12 -3.693 0.728 -17.584 74 HG23 VAL 12 2HG2 VAL 12 -2.894 -0.513 -16.619 75 H VAL 13 HN VAL 13 -2.919 2.563 -17.986 76 HA VAL 13 HA VAL 13 -4.552 3.127 -20.198 77 HB VAL 13 HB VAL 13 -4.224 4.772 -17.685 78 HG11 VAL 13 1HG1 VAL 13 -5.607 6.184 -18.715 79 HG12 VAL 13 2HG1 VAL 13 -5.903 5.052 -20.036 80 HG13 VAL 13 3HG1 VAL 13 -6.845 4.939 -18.548 81 HG21 VAL 13 3HG2 VAL 13 -5.381 3.234 -16.557 82 HG22 VAL 13 1HG2 VAL 13 -6.567 3.071 -17.852 83 HG23 VAL 13 2HG2 VAL 13 -5.068 2.142 -17.907 84 H GLY 14 HN GLY 14 -1.832 4.891 -18.784 85 HA2 GLY 14 1HA GLY 14 -2.082 7.231 -20.341 86 HA3 GLY 14 2HA GLY 14 -0.613 6.680 -19.548 87 H GLY 15 HN GLY 15 -0.563 4.134 -20.989 88 HA2 GLY 15 1HA GLY 15 0.927 5.007 -23.259 89 HA3 GLY 15 2HA GLY 15 0.564 3.341 -22.833 90 H LEU 16 HN LEU 16 -2.126 3.196 -22.954 91 HA LEU 16 HA LEU 16 -2.600 3.154 -25.763 92 HB2 LEU 16 1HB LEU 16 -4.869 2.388 -25.117 93 HB3 LEU 16 2HB LEU 16 -3.561 1.443 -24.409 94 HG LEU 16 HG LEU 16 -4.175 3.398 -22.506 95 HD11 LEU 16 1HD1 LEU 16 -6.259 3.826 -23.751 96 HD12 LEU 16 2HD1 LEU 16 -6.549 3.164 -22.143 97 HD13 LEU 16 3HD1 LEU 16 -6.696 2.128 -23.563 98 HD21 LEU 16 3HD2 LEU 16 -5.094 0.529 -22.599 99 HD22 LEU 16 1HD2 LEU 16 -4.836 1.520 -21.163 100 HD23 LEU 16 2HD2 LEU 16 -3.464 1.044 -22.165 101 H GLY 17 HN GLY 17 -3.754 5.170 -23.092 102 HA2 GLY 17 1HA GLY 17 -5.604 6.671 -24.642 103 HA3 GLY 17 2HA GLY 17 -4.956 7.130 -23.074 104 H GLY 18 HN GLY 18 -2.215 7.199 -23.756 105 HA2 GLY 18 1HA GLY 18 -2.042 9.821 -24.820 106 HA3 GLY 18 2HA GLY 18 -0.687 8.758 -24.472 107 H TYR 19 HN TYR 19 -1.661 6.642 -26.244 108 HA TYR 19 HA TYR 19 -0.406 7.532 -28.639 109 HB2 TYR 19 1HB TYR 19 -0.200 5.218 -27.917 110 HB3 TYR 19 2HB TYR 19 -1.942 4.996 -28.040 111 HD1 TYR 19 HD2 TYR 19 -0.509 7.031 -30.628 112 HD2 TYR 19 HD1 TYR 19 -1.313 3.012 -29.484 113 HE1 TYR 19 HE2 TYR 19 -0.250 6.320 -32.968 114 HE2 TYR 19 HE1 TYR 19 -1.056 2.290 -31.821 115 HH TYR 19 HH TYR 19 -0.428 2.903 -33.880 116 H MET 20 HN MET 20 -3.715 6.320 -28.062 117 HA MET 20 HA MET 20 -4.792 6.923 -30.531 118 HB2 MET 20 1HB MET 20 -6.991 7.140 -29.246 119 HB3 MET 20 2HB MET 20 -6.116 5.623 -29.085 120 HG2 MET 20 1HG MET 20 -5.098 6.708 -26.975 121 HG3 MET 20 2HG MET 20 -6.454 7.826 -27.098 122 HE1 MET 20 3HE MET 20 -5.603 4.282 -27.705 123 HE2 MET 20 1HE MET 20 -6.437 3.366 -26.449 124 HE3 MET 20 2HE MET 20 -7.260 3.736 -27.964 125 H LEU 21 HN LEU 21 -5.117 8.939 -27.601 126 HA LEU 21 HA LEU 21 -6.204 11.164 -28.922 127 HB2 LEU 21 1HB LEU 21 -5.496 10.459 -26.290 128 HB3 LEU 21 2HB LEU 21 -4.667 11.974 -26.643 129 HG LEU 21 HG LEU 21 -6.835 12.993 -27.230 130 HD11 LEU 21 1HD1 LEU 21 -8.559 11.089 -25.981 131 HD12 LEU 21 2HD1 LEU 21 -7.696 10.315 -27.308 132 HD13 LEU 21 3HD1 LEU 21 -8.644 11.772 -27.605 133 HD21 LEU 21 3HD2 LEU 21 -6.178 11.921 -24.558 134 HD22 LEU 21 1HD2 LEU 21 -7.809 12.558 -24.771 135 HD23 LEU 21 2HD2 LEU 21 -6.412 13.587 -25.090 136 H GLY 22 HN GLY 22 -2.939 10.054 -28.576 137 HA2 GLY 22 1HA GLY 22 -1.658 12.545 -29.138 138 HA3 GLY 22 2HA GLY 22 -0.916 10.954 -29.213 139 H SER 23 HN SER 23 -2.202 9.642 -31.136 140 HA SER 23 HA SER 23 -1.258 10.927 -33.511 141 HB2 SER 23 1HB SER 23 -1.044 8.762 -34.060 142 HB3 SER 23 2HB SER 23 -2.077 8.268 -32.718 143 HG SER 23 HG SER 23 -2.809 7.786 -34.954 144 H ALA 24 HN ALA 24 -4.347 10.529 -31.964 145 HA ALA 24 HA ALA 24 -6.008 11.077 -34.181 146 HB1 ALA 24 1HB ALA 24 -7.765 11.431 -32.584 147 HB2 ALA 24 2HB ALA 24 -6.776 10.073 -32.044 148 HB3 ALA 24 3HB ALA 24 -6.596 11.653 -31.282 149 H MET 25 HN MET 25 -4.599 13.171 -31.685 150 HA MET 25 HA MET 25 -5.770 15.550 -32.801 151 HB2 MET 25 1HB MET 25 -4.378 14.821 -30.393 152 HB3 MET 25 2HB MET 25 -3.635 16.252 -31.095 153 HG2 MET 25 1HG MET 25 -5.218 17.217 -29.777 154 HG3 MET 25 2HG MET 25 -6.115 17.066 -31.286 155 HE1 MET 25 3HE MET 25 -6.328 16.635 -27.595 156 HE2 MET 25 1HE MET 25 -7.500 17.571 -28.523 157 HE3 MET 25 2HE MET 25 -8.024 16.152 -27.617 158 H SER 26 HN SER 26 -2.809 13.781 -33.158 159 HA SER 26 HA SER 26 -1.277 15.906 -34.295 160 HB2 SER 26 1HB SER 26 -0.008 14.145 -33.364 161 HB3 SER 26 2HB SER 26 -0.944 12.912 -34.208 162 HG SER 26 HG SER 26 0.051 13.450 -36.100 163 H ARG 27 HN ARG 27 -3.450 13.468 -35.546 164 HA ARG 27 HA ARG 27 -3.450 14.819 -38.125 165 HB2 ARG 27 1HB ARG 27 -3.130 12.787 -39.403 166 HB3 ARG 27 2HB ARG 27 -1.756 13.028 -38.334 167 HG2 ARG 27 1HG ARG 27 -3.779 11.429 -37.053 168 HG3 ARG 27 2HG ARG 27 -3.302 10.733 -38.603 169 HD2 ARG 27 1HD ARG 27 -1.271 11.660 -36.598 170 HD3 ARG 27 2HD ARG 27 -1.980 10.048 -36.515 171 HE ARG 27 HE ARG 27 -1.078 10.352 -39.103 172 HH11 ARG 27 1HH1 ARG 27 0.304 10.396 -35.908 173 HH12 ARG 27 2HH1 ARG 27 1.849 9.807 -36.426 174 HH21 ARG 27 1HH2 ARG 27 0.951 9.576 -39.798 175 HH22 ARG 27 2HH2 ARG 27 2.216 9.342 -38.639 Start of MODEL 12 1 H1 LYS 1 HN LYS 1 1.789 -0.621 0.722 2 HA LYS 1 HA LYS 1 2.949 0.910 -1.207 3 HB2 LYS 1 1HB LYS 1 3.700 -1.180 -2.275 4 HB3 LYS 1 2HB LYS 1 3.861 -1.240 -0.524 5 HG2 LYS 1 1HG LYS 1 2.318 -2.875 -0.298 6 HG3 LYS 1 2HG LYS 1 1.342 -2.294 -1.650 7 HD2 LYS 1 1HD LYS 1 3.402 -3.089 -3.069 8 HD3 LYS 1 2HD LYS 1 3.721 -4.096 -1.655 9 HE2 LYS 1 1HE LYS 1 2.387 -5.519 -2.836 10 HE3 LYS 1 2HE LYS 1 1.150 -4.656 -1.924 11 HZ1 LYS 1 3HZ LYS 1 0.250 -4.010 -3.823 12 HZ2 LYS 1 1HZ LYS 1 1.434 -4.843 -4.698 13 HZ3 LYS 1 2HZ LYS 1 1.679 -3.225 -4.272 14 H HIS 2 HN HIS 2 0.438 1.723 -1.590 15 HA HIS 2 HA HIS 2 -0.893 0.383 -3.736 16 HB2 HIS 2 1HB HIS 2 -1.886 1.993 -1.962 17 HB3 HIS 2 2HB HIS 2 -1.321 3.274 -3.031 18 HD1 HIS 2 HD1 HIS 2 -2.744 0.089 -4.404 19 HD2 HIS 2 HD2 HIS 2 -3.894 4.032 -3.776 20 HE1 HIS 2 HE1 HIS 2 -4.908 0.365 -5.655 21 H MET 3 HN MET 3 1.952 1.958 -3.717 22 HA MET 3 HA MET 3 1.777 3.700 -5.934 23 HB2 MET 3 1HB MET 3 4.293 3.347 -6.031 24 HB3 MET 3 2HB MET 3 3.650 3.969 -4.517 25 HG2 MET 3 1HG MET 3 4.702 2.339 -3.465 26 HG3 MET 3 2HG MET 3 3.624 1.190 -4.254 27 HE1 MET 3 3HE MET 3 4.155 -0.486 -5.400 28 HE2 MET 3 1HE MET 3 5.529 -0.800 -6.461 29 HE3 MET 3 2HE MET 3 5.689 -1.031 -4.720 30 H ALA 4 HN ALA 4 2.261 0.251 -5.638 31 HA ALA 4 HA ALA 4 3.140 -0.184 -8.314 32 HB1 ALA 4 1HB ALA 4 2.334 -2.592 -7.730 33 HB2 ALA 4 2HB ALA 4 3.741 -1.911 -6.912 34 HB3 ALA 4 3HB ALA 4 2.176 -1.939 -6.099 35 H GLY 5 HN GLY 5 -0.002 -0.216 -6.704 36 HA2 GLY 5 1HA GLY 5 -1.441 -1.242 -8.946 37 HA3 GLY 5 2HA GLY 5 -2.137 -0.467 -7.531 38 H ALA 6 HN ALA 6 -1.011 2.032 -7.630 39 HA ALA 6 HA ALA 6 -2.621 3.307 -9.581 40 HB1 ALA 6 1HB ALA 6 -2.376 4.971 -8.137 41 HB2 ALA 6 2HB ALA 6 -1.113 4.077 -7.290 42 HB3 ALA 6 3HB ALA 6 -0.691 5.140 -8.633 43 H ALA 7 HN ALA 7 0.812 2.551 -9.396 44 HA ALA 7 HA ALA 7 1.576 4.078 -11.675 45 HB1 ALA 7 1HB ALA 7 3.126 3.345 -9.864 46 HB2 ALA 7 2HB ALA 7 3.016 1.705 -10.505 47 HB3 ALA 7 3HB ALA 7 3.699 2.994 -11.495 48 H ALA 8 HN ALA 8 0.687 0.693 -11.167 49 HA ALA 8 HA ALA 8 1.269 -0.196 -13.786 50 HB1 ALA 8 1HB ALA 8 0.119 -2.191 -13.216 51 HB2 ALA 8 2HB ALA 8 0.936 -1.640 -11.753 52 HB3 ALA 8 3HB ALA 8 -0.797 -1.380 -11.946 53 H ALA 9 HN ALA 9 -1.754 0.884 -12.260 54 HA ALA 9 HA ALA 9 -3.346 0.546 -14.590 55 HB1 ALA 9 1HB ALA 9 -5.082 1.194 -13.301 56 HB2 ALA 9 2HB ALA 9 -3.930 0.911 -11.995 57 HB3 ALA 9 3HB ALA 9 -4.196 2.548 -12.597 58 H GLY 10 HN GLY 10 -1.533 3.248 -13.232 59 HA2 GLY 10 1HA GLY 10 -2.559 5.199 -15.052 60 HA3 GLY 10 2HA GLY 10 -1.145 5.378 -14.024 61 H ALA 11 HN ALA 11 0.259 3.085 -15.042 62 HA ALA 11 HA ALA 11 1.546 4.305 -17.264 63 HB1 ALA 11 1HB ALA 11 1.859 1.511 -16.173 64 HB2 ALA 11 2HB ALA 11 2.960 2.319 -17.289 65 HB3 ALA 11 3HB ALA 11 2.761 2.933 -15.648 66 H VAL 12 HN VAL 12 -0.612 1.514 -16.921 67 HA VAL 12 HA VAL 12 -0.512 0.694 -19.621 68 HB VAL 12 HB VAL 12 -2.707 -0.447 -19.092 69 HG11 VAL 12 1HG1 VAL 12 -0.662 -1.662 -18.867 70 HG12 VAL 12 2HG1 VAL 12 -0.311 -0.892 -17.318 71 HG13 VAL 12 3HG1 VAL 12 -1.659 -2.021 -17.459 72 HG21 VAL 12 3HG2 VAL 12 -3.004 -0.505 -16.472 73 HG22 VAL 12 1HG2 VAL 12 -2.295 1.106 -16.587 74 HG23 VAL 12 2HG2 VAL 12 -3.786 0.735 -17.453 75 H VAL 13 HN VAL 13 -2.991 2.560 -17.861 76 HA VAL 13 HA VAL 13 -4.599 3.122 -20.092 77 HB VAL 13 HB VAL 13 -4.279 4.781 -17.587 78 HG11 VAL 13 1HG1 VAL 13 -6.870 5.034 -18.403 79 HG12 VAL 13 2HG1 VAL 13 -5.587 6.201 -18.730 80 HG13 VAL 13 3HG1 VAL 13 -6.008 4.989 -19.941 81 HG21 VAL 13 3HG2 VAL 13 -5.461 3.262 -16.460 82 HG22 VAL 13 1HG2 VAL 13 -6.635 3.100 -17.766 83 HG23 VAL 13 2HG2 VAL 13 -5.145 2.158 -17.798 84 H GLY 14 HN GLY 14 -1.876 4.872 -18.667 85 HA2 GLY 14 1HA GLY 14 -2.092 7.204 -20.243 86 HA3 GLY 14 2HA GLY 14 -0.636 6.646 -19.433 87 H GLY 15 HN GLY 15 -0.595 4.089 -20.855 88 HA2 GLY 15 1HA GLY 15 0.923 4.932 -23.118 89 HA3 GLY 15 2HA GLY 15 0.542 3.272 -22.683 90 H LEU 16 HN LEU 16 -2.148 3.150 -22.826 91 HA LEU 16 HA LEU 16 -2.597 3.091 -25.639 92 HB2 LEU 16 1HB LEU 16 -4.879 2.350 -25.008 93 HB3 LEU 16 2HB LEU 16 -3.585 1.398 -24.282 94 HG LEU 16 HG LEU 16 -4.199 3.373 -22.398 95 HD11 LEU 16 1HD1 LEU 16 -6.268 3.808 -23.667 96 HD12 LEU 16 2HD1 LEU 16 -6.577 3.165 -22.055 97 HD13 LEU 16 3HD1 LEU 16 -6.722 2.116 -23.465 98 HD21 LEU 16 3HD2 LEU 16 -5.142 0.511 -22.479 99 HD22 LEU 16 1HD2 LEU 16 -4.889 1.510 -21.048 100 HD23 LEU 16 2HD2 LEU 16 -3.512 1.016 -22.033 101 H GLY 17 HN GLY 17 -3.758 5.137 -22.994 102 HA2 GLY 17 1HA GLY 17 -5.580 6.642 -24.571 103 HA3 GLY 17 2HA GLY 17 -4.943 7.107 -23.001 104 H GLY 18 HN GLY 18 -2.195 7.147 -23.658 105 HA2 GLY 18 1HA GLY 18 -1.990 9.760 -24.740 106 HA3 GLY 18 2HA GLY 18 -0.647 8.688 -24.373 107 H TYR 19 HN TYR 19 -1.624 6.567 -26.138 108 HA TYR 19 HA TYR 19 -0.340 7.429 -28.528 109 HB2 TYR 19 1HB TYR 19 -0.161 5.118 -27.786 110 HB3 TYR 19 2HB TYR 19 -1.903 4.910 -27.923 111 HD1 TYR 19 HD1 TYR 19 -0.428 6.914 -30.513 112 HD2 TYR 19 HD2 TYR 19 -1.281 2.911 -29.349 113 HE1 TYR 19 HE1 TYR 19 -0.154 6.184 -32.845 114 HE2 TYR 19 HE2 TYR 19 -1.008 2.170 -31.678 115 HH TYR 19 HH TYR 19 -0.596 2.780 -33.768 116 H MET 20 HN MET 20 -3.664 6.249 -27.972 117 HA MET 20 HA MET 20 -4.714 6.843 -30.455 118 HB2 MET 20 1HB MET 20 -6.922 7.088 -29.191 119 HB3 MET 20 2HB MET 20 -6.062 5.565 -29.011 120 HG2 MET 20 1HG MET 20 -5.054 6.657 -26.899 121 HG3 MET 20 2HG MET 20 -6.399 7.786 -27.043 122 HE1 MET 20 3HE MET 20 -5.573 4.230 -27.616 123 HE2 MET 20 1HE MET 20 -6.427 3.331 -26.361 124 HE3 MET 20 2HE MET 20 -7.233 3.696 -27.886 125 H LEU 21 HN LEU 21 -5.047 8.883 -27.543 126 HA LEU 21 HA LEU 21 -6.104 11.107 -28.890 127 HB2 LEU 21 1HB LEU 21 -5.427 10.416 -26.246 128 HB3 LEU 21 2HB LEU 21 -4.579 11.919 -26.602 129 HG LEU 21 HG LEU 21 -6.730 12.956 -27.219 130 HD11 LEU 21 1HD1 LEU 21 -7.646 10.198 -26.918 131 HD12 LEU 21 2HD1 LEU 21 -8.347 11.537 -27.826 132 HD13 LEU 21 3HD1 LEU 21 -8.661 11.384 -26.097 133 HD21 LEU 21 3HD2 LEU 21 -7.733 12.742 -24.825 134 HD22 LEU 21 1HD2 LEU 21 -6.144 13.474 -25.049 135 HD23 LEU 21 2HD2 LEU 21 -6.275 11.803 -24.500 136 H GLY 22 HN GLY 22 -2.852 9.972 -28.506 137 HA2 GLY 22 1HA GLY 22 -1.544 12.448 -29.075 138 HA3 GLY 22 2HA GLY 22 -0.815 10.850 -29.132 139 H SER 23 HN SER 23 -2.095 9.535 -31.057 140 HA SER 23 HA SER 23 -1.120 10.794 -33.433 141 HB2 SER 23 1HB SER 23 -0.924 8.625 -33.970 142 HB3 SER 23 2HB SER 23 -1.961 8.149 -32.626 143 HG SER 23 HG SER 23 -2.549 7.953 -35.128 144 H ALA 24 HN ALA 24 -4.226 10.434 -31.910 145 HA ALA 24 HA ALA 24 -5.862 10.981 -34.146 146 HB1 ALA 24 1HB ALA 24 -6.470 11.583 -31.256 147 HB2 ALA 24 2HB ALA 24 -7.630 11.360 -32.566 148 HB3 ALA 24 3HB ALA 24 -6.657 9.999 -32.007 149 H MET 25 HN MET 25 -4.457 13.080 -31.653 150 HA MET 25 HA MET 25 -5.597 15.461 -32.797 151 HB2 MET 25 1HB MET 25 -4.233 14.738 -30.371 152 HB3 MET 25 2HB MET 25 -3.471 16.157 -31.077 153 HG2 MET 25 1HG MET 25 -5.454 17.407 -30.974 154 HG3 MET 25 2HG MET 25 -6.437 15.973 -30.685 155 HE1 MET 25 3HE MET 25 -7.161 17.584 -27.451 156 HE2 MET 25 1HE MET 25 -7.643 17.156 -29.094 157 HE3 MET 25 2HE MET 25 -7.419 15.893 -27.883 158 H SER 26 HN SER 26 -2.648 13.664 -33.115 159 HA SER 26 HA SER 26 -1.089 15.767 -34.253 160 HB2 SER 26 1HB SER 26 -0.789 12.814 -33.934 161 HB3 SER 26 2HB SER 26 0.226 13.628 -35.124 162 HG SER 26 HG SER 26 1.399 13.856 -33.344 163 H ARG 27 HN ARG 27 -3.272 13.338 -35.505 164 HA ARG 27 HA ARG 27 -2.570 13.933 -38.263 165 HB2 ARG 27 1HB ARG 27 -4.227 11.898 -36.873 166 HB3 ARG 27 2HB ARG 27 -4.705 12.329 -38.509 167 HG2 ARG 27 1HG ARG 27 -3.299 10.583 -38.929 168 HG3 ARG 27 2HG ARG 27 -2.164 11.931 -39.019 169 HD2 ARG 27 1HD ARG 27 -1.556 11.532 -36.661 170 HD3 ARG 27 2HD ARG 27 -2.639 10.141 -36.638 171 HE ARG 27 HE ARG 27 -1.040 8.930 -37.735 172 HH11 ARG 27 1HH1 ARG 27 -0.302 12.319 -38.041 173 HH12 ARG 27 2HH1 ARG 27 1.240 12.049 -38.782 174 HH21 ARG 27 1HH2 ARG 27 0.989 8.563 -38.710 175 HH22 ARG 27 2HH2 ARG 27 1.973 9.912 -39.163 Start of MODEL 13 1 H1 LYS 1 HN LYS 1 0.716 -0.684 0.754 2 HA LYS 1 HA LYS 1 2.293 0.285 -1.297 3 HB2 LYS 1 1HB LYS 1 2.293 -2.017 -0.064 4 HB3 LYS 1 2HB LYS 1 1.253 -2.527 -1.388 5 HG2 LYS 1 1HG LYS 1 3.089 -1.622 -2.927 6 HG3 LYS 1 2HG LYS 1 4.108 -1.626 -1.486 7 HD2 LYS 1 1HD LYS 1 3.710 -4.007 -1.186 8 HD3 LYS 1 2HD LYS 1 2.628 -4.018 -2.582 9 HE2 LYS 1 1HE LYS 1 4.369 -3.716 -4.089 10 HE3 LYS 1 2HE LYS 1 5.450 -3.061 -2.861 11 HZ1 LYS 1 3HZ LYS 1 6.319 -5.094 -2.802 12 HZ2 LYS 1 1HZ LYS 1 5.029 -5.782 -3.653 13 HZ3 LYS 1 2HZ LYS 1 4.922 -5.576 -1.978 14 H HIS 2 HN HIS 2 -0.435 1.214 -1.613 15 HA HIS 2 HA HIS 2 -1.607 -0.098 -3.867 16 HB2 HIS 2 1HB HIS 2 -3.096 1.884 -3.944 17 HB3 HIS 2 2HB HIS 2 -3.011 1.164 -2.340 18 HD1 HIS 2 HD1 HIS 2 -2.760 2.822 -0.535 19 HD2 HIS 2 HD2 HIS 2 -1.128 4.182 -4.105 20 HE1 HIS 2 HE1 HIS 2 -1.939 5.150 -0.055 21 H MET 3 HN MET 3 1.173 1.577 -3.651 22 HA MET 3 HA MET 3 1.042 3.387 -5.817 23 HB2 MET 3 1HB MET 3 3.571 3.130 -5.798 24 HB3 MET 3 2HB MET 3 2.831 3.672 -4.297 25 HG2 MET 3 1HG MET 3 3.902 2.047 -3.255 26 HG3 MET 3 2HG MET 3 2.896 0.890 -4.123 27 HE1 MET 3 3HE MET 3 3.534 -0.737 -5.290 28 HE2 MET 3 1HE MET 3 4.967 -0.978 -6.291 29 HE3 MET 3 2HE MET 3 5.052 -1.244 -4.549 30 H ALA 4 HN ALA 4 1.636 -0.051 -5.609 31 HA ALA 4 HA ALA 4 2.664 -0.363 -8.249 32 HB1 ALA 4 1HB ALA 4 1.664 -2.220 -6.138 33 HB2 ALA 4 2HB ALA 4 1.908 -2.818 -7.780 34 HB3 ALA 4 3HB ALA 4 3.258 -2.120 -6.886 35 H GLY 5 HN GLY 5 -0.551 -0.560 -6.804 36 HA2 GLY 5 1HA GLY 5 -1.837 -1.558 -9.150 37 HA3 GLY 5 2HA GLY 5 -2.632 -0.857 -7.748 38 H ALA 6 HN ALA 6 -1.593 1.682 -7.708 39 HA ALA 6 HA ALA 6 -3.149 2.966 -9.696 40 HB1 ALA 6 1HB ALA 6 -1.335 4.831 -8.591 41 HB2 ALA 6 2HB ALA 6 -3.036 4.589 -8.190 42 HB3 ALA 6 3HB ALA 6 -1.788 3.709 -7.307 43 H ALA 7 HN ALA 7 0.296 2.325 -9.360 44 HA ALA 7 HA ALA 7 1.118 3.955 -11.545 45 HB1 ALA 7 1HB ALA 7 2.601 3.212 -9.683 46 HB2 ALA 7 2HB ALA 7 2.580 1.592 -10.381 47 HB3 ALA 7 3HB ALA 7 3.267 2.937 -11.293 48 H ALA 8 HN ALA 8 0.328 0.525 -11.196 49 HA ALA 8 HA ALA 8 1.070 -0.250 -13.811 50 HB1 ALA 8 1HB ALA 8 0.690 -1.775 -11.846 51 HB2 ALA 8 2HB ALA 8 -1.041 -1.569 -12.119 52 HB3 ALA 8 3HB ALA 8 -0.033 -2.303 -13.366 53 H ALA 9 HN ALA 9 -2.064 0.666 -12.405 54 HA ALA 9 HA ALA 9 -3.526 0.355 -14.820 55 HB1 ALA 9 1HB ALA 9 -4.987 2.137 -13.334 56 HB2 ALA 9 2HB ALA 9 -5.085 0.380 -13.219 57 HB3 ALA 9 3HB ALA 9 -4.056 1.281 -12.105 58 H GLY 10 HN GLY 10 -1.871 3.071 -13.298 59 HA2 GLY 10 1HA GLY 10 -2.874 5.041 -15.112 60 HA3 GLY 10 2HA GLY 10 -1.521 5.236 -14.007 61 H ALA 11 HN ALA 11 0.013 3.023 -15.014 62 HA ALA 11 HA ALA 11 1.368 4.351 -17.131 63 HB1 ALA 11 1HB ALA 11 2.493 2.929 -15.447 64 HB2 ALA 11 2HB ALA 11 1.738 1.514 -16.182 65 HB3 ALA 11 3HB ALA 11 2.886 2.481 -17.107 66 H VAL 12 HN VAL 12 -0.699 1.475 -16.981 67 HA VAL 12 HA VAL 12 -0.437 0.749 -19.697 68 HB VAL 12 HB VAL 12 -2.617 -0.483 -19.310 69 HG11 VAL 12 1HG1 VAL 12 -0.540 -1.635 -19.046 70 HG12 VAL 12 2HG1 VAL 12 -0.282 -0.916 -17.455 71 HG13 VAL 12 3HG1 VAL 12 -1.582 -2.084 -17.696 72 HG21 VAL 12 3HG2 VAL 12 -2.405 1.048 -16.785 73 HG22 VAL 12 1HG2 VAL 12 -3.832 0.510 -17.672 74 HG23 VAL 12 2HG2 VAL 12 -2.941 -0.627 -16.661 75 H VAL 13 HN VAL 13 -3.069 2.462 -18.006 76 HA VAL 13 HA VAL 13 -4.588 3.037 -20.294 77 HB VAL 13 HB VAL 13 -4.448 4.617 -17.722 78 HG11 VAL 13 1HG1 VAL 13 -5.764 6.042 -18.833 79 HG12 VAL 13 2HG1 VAL 13 -6.022 4.906 -20.160 80 HG13 VAL 13 3HG1 VAL 13 -7.008 4.799 -18.701 81 HG21 VAL 13 3HG2 VAL 13 -6.483 2.524 -18.431 82 HG22 VAL 13 1HG2 VAL 13 -4.986 2.125 -17.590 83 HG23 VAL 13 2HG2 VAL 13 -6.139 3.239 -16.856 84 H GLY 14 HN GLY 14 -2.004 4.839 -18.688 85 HA2 GLY 14 1HA GLY 14 -2.233 7.209 -20.204 86 HA3 GLY 14 2HA GLY 14 -0.797 6.680 -19.340 87 H GLY 15 HN GLY 15 -0.589 4.172 -20.832 88 HA2 GLY 15 1HA GLY 15 1.000 5.139 -22.993 89 HA3 GLY 15 2HA GLY 15 0.663 3.454 -22.626 90 H LEU 16 HN LEU 16 -2.011 3.238 -22.903 91 HA LEU 16 HA LEU 16 -2.323 3.249 -25.735 92 HB2 LEU 16 1HB LEU 16 -4.602 2.405 -25.237 93 HB3 LEU 16 2HB LEU 16 -3.309 1.480 -24.478 94 HG LEU 16 HG LEU 16 -4.087 3.372 -22.569 95 HD11 LEU 16 1HD1 LEU 16 -6.110 3.767 -23.922 96 HD12 LEU 16 2HD1 LEU 16 -6.469 3.060 -22.347 97 HD13 LEU 16 3HD1 LEU 16 -6.505 2.053 -23.794 98 HD21 LEU 16 3HD2 LEU 16 -4.912 0.480 -22.777 99 HD22 LEU 16 1HD2 LEU 16 -4.765 1.444 -21.307 100 HD23 LEU 16 2HD2 LEU 16 -3.325 1.032 -22.239 101 H GLY 17 HN GLY 17 -3.686 5.168 -23.091 102 HA2 GLY 17 1HA GLY 17 -5.488 6.652 -24.710 103 HA3 GLY 17 2HA GLY 17 -4.943 7.093 -23.098 104 H GLY 18 HN GLY 18 -2.171 7.254 -23.621 105 HA2 GLY 18 1HA GLY 18 -2.016 9.904 -24.617 106 HA3 GLY 18 2HA GLY 18 -0.651 8.872 -24.216 107 H TYR 19 HN TYR 19 -1.462 6.772 -26.086 108 HA TYR 19 HA TYR 19 -0.101 7.753 -28.386 109 HB2 TYR 19 1HB TYR 19 0.131 5.429 -27.704 110 HB3 TYR 19 2HB TYR 19 -1.594 5.161 -27.931 111 HD1 TYR 19 HD1 TYR 19 -0.077 7.297 -30.387 112 HD2 TYR 19 HD2 TYR 19 -0.829 3.231 -29.382 113 HE1 TYR 19 HE1 TYR 19 0.335 6.649 -32.724 114 HE2 TYR 19 HE2 TYR 19 -0.418 2.572 -31.715 115 HH TYR 19 HH TYR 19 0.950 3.592 -33.703 116 H MET 20 HN MET 20 -3.400 6.434 -28.025 117 HA MET 20 HA MET 20 -4.355 7.066 -30.537 118 HB2 MET 20 1HB MET 20 -6.628 7.190 -29.374 119 HB3 MET 20 2HB MET 20 -5.719 5.695 -29.198 120 HG2 MET 20 1HG MET 20 -4.853 6.758 -27.009 121 HG3 MET 20 2HG MET 20 -6.233 7.839 -27.184 122 HE1 MET 20 3HE MET 20 -5.244 4.336 -27.820 123 HE2 MET 20 1HE MET 20 -6.119 3.368 -26.633 124 HE3 MET 20 2HE MET 20 -6.868 3.749 -28.184 125 H LEU 21 HN LEU 21 -4.902 9.002 -27.586 126 HA LEU 21 HA LEU 21 -5.979 11.226 -28.917 127 HB2 LEU 21 1HB LEU 21 -5.402 10.479 -26.266 128 HB3 LEU 21 2HB LEU 21 -4.595 12.022 -26.537 129 HG LEU 21 HG LEU 21 -7.017 12.623 -27.515 130 HD11 LEU 21 1HD1 LEU 21 -7.673 10.206 -26.799 131 HD12 LEU 21 2HD1 LEU 21 -8.778 11.546 -26.498 132 HD13 LEU 21 3HD1 LEU 21 -7.779 10.916 -25.188 133 HD21 LEU 21 3HD2 LEU 21 -6.016 14.003 -25.903 134 HD22 LEU 21 1HD2 LEU 21 -5.992 12.720 -24.693 135 HD23 LEU 21 2HD2 LEU 21 -7.522 13.463 -25.161 136 H GLY 22 HN GLY 22 -2.708 10.200 -28.412 137 HA2 GLY 22 1HA GLY 22 -1.471 12.739 -28.844 138 HA3 GLY 22 2HA GLY 22 -0.679 11.172 -28.912 139 H SER 23 HN SER 23 -1.816 9.870 -30.934 140 HA SER 23 HA SER 23 -0.779 11.236 -33.223 141 HB2 SER 23 1HB SER 23 -0.473 9.093 -33.809 142 HB3 SER 23 2HB SER 23 -1.560 8.538 -32.536 143 HG SER 23 HG SER 23 -2.737 7.983 -34.204 144 H ALA 24 HN ALA 24 -3.937 10.715 -31.862 145 HA ALA 24 HA ALA 24 -5.486 11.270 -34.157 146 HB1 ALA 24 1HB ALA 24 -6.252 11.760 -31.283 147 HB2 ALA 24 2HB ALA 24 -7.340 11.535 -32.654 148 HB3 ALA 24 3HB ALA 24 -6.343 10.194 -32.090 149 H MET 25 HN MET 25 -4.281 13.342 -31.540 150 HA MET 25 HA MET 25 -5.457 15.713 -32.667 151 HB2 MET 25 1HB MET 25 -4.181 14.967 -30.201 152 HB3 MET 25 2HB MET 25 -3.442 16.434 -30.828 153 HG2 MET 25 1HG MET 25 -5.112 17.396 -29.664 154 HG3 MET 25 2HG MET 25 -5.999 17.094 -31.156 155 HE1 MET 25 3HE MET 25 -8.854 15.219 -30.294 156 HE2 MET 25 1HE MET 25 -7.796 15.975 -31.485 157 HE3 MET 25 2HE MET 25 -7.622 14.259 -31.115 158 H SER 26 HN SER 26 -2.430 14.037 -32.896 159 HA SER 26 HA SER 26 -0.901 16.230 -33.897 160 HB2 SER 26 1HB SER 26 0.200 14.317 -32.848 161 HB3 SER 26 2HB SER 26 -0.425 13.246 -34.101 162 HG SER 26 HG SER 26 0.872 14.248 -35.593 163 H ARG 27 HN ARG 27 -2.927 13.762 -35.322 164 HA ARG 27 HA ARG 27 -2.130 14.497 -38.024 165 HB2 ARG 27 1HB ARG 27 -3.538 12.253 -36.766 166 HB3 ARG 27 2HB ARG 27 -4.250 12.769 -38.289 167 HG2 ARG 27 1HG ARG 27 -2.742 11.489 -39.290 168 HG3 ARG 27 2HG ARG 27 -1.539 12.692 -38.821 169 HD2 ARG 27 1HD ARG 27 -0.577 10.850 -37.896 170 HD3 ARG 27 2HD ARG 27 -1.613 11.324 -36.550 171 HE ARG 27 HE ARG 27 -2.836 9.418 -36.871 172 HH11 ARG 27 1HH1 ARG 27 -0.891 10.009 -39.696 173 HH12 ARG 27 2HH1 ARG 27 -1.279 8.493 -40.441 174 HH21 ARG 27 1HH2 ARG 27 -3.355 7.420 -37.840 175 HH22 ARG 27 2HH2 ARG 27 -2.682 7.022 -39.385 Start of MODEL 14 1 H1 LYS 1 HN LYS 1 2.676 1.039 0.222 2 HA LYS 1 HA LYS 1 3.436 -0.687 -1.693 3 HB2 LYS 1 1HB LYS 1 1.651 -2.249 -0.871 4 HB3 LYS 1 2HB LYS 1 2.633 -1.526 0.396 5 HG2 LYS 1 1HG LYS 1 0.912 -0.183 1.149 6 HG3 LYS 1 2HG LYS 1 0.038 -0.269 -0.382 7 HD2 LYS 1 1HD LYS 1 -0.192 -2.786 0.157 8 HD3 LYS 1 2HD LYS 1 0.227 -2.312 1.805 9 HE2 LYS 1 1HE LYS 1 -1.936 -0.858 0.343 10 HE3 LYS 1 2HE LYS 1 -2.274 -2.430 1.066 11 HZ1 LYS 1 3HZ LYS 1 -2.558 -0.178 2.393 12 HZ2 LYS 1 1HZ LYS 1 -0.925 -0.457 2.739 13 HZ3 LYS 1 2HZ LYS 1 -2.087 -1.614 3.154 14 H HIS 2 HN HIS 2 0.562 1.287 -1.770 15 HA HIS 2 HA HIS 2 -0.682 -0.074 -3.955 16 HB2 HIS 2 1HB HIS 2 -1.823 1.424 -2.229 17 HB3 HIS 2 2HB HIS 2 -1.183 2.787 -3.144 18 HD1 HIS 2 HD1 HIS 2 -2.425 3.466 -5.227 19 HD2 HIS 2 HD2 HIS 2 -3.752 -0.150 -3.669 20 HE1 HIS 2 HE1 HIS 2 -4.502 2.896 -6.525 21 H MET 3 HN MET 3 2.114 1.584 -3.862 22 HA MET 3 HA MET 3 1.934 3.340 -6.068 23 HB2 MET 3 1HB MET 3 4.460 3.064 -6.114 24 HB3 MET 3 2HB MET 3 3.767 3.650 -4.608 25 HG2 MET 3 1HG MET 3 4.854 2.044 -3.553 26 HG3 MET 3 2HG MET 3 3.819 0.872 -4.365 27 HE1 MET 3 3HE MET 3 4.415 -0.786 -5.510 28 HE2 MET 3 1HE MET 3 5.817 -1.059 -6.544 29 HE3 MET 3 2HE MET 3 5.950 -1.287 -4.800 30 H ALA 4 HN ALA 4 2.511 -0.096 -5.789 31 HA ALA 4 HA ALA 4 3.461 -0.482 -8.449 32 HB1 ALA 4 1HB ALA 4 2.705 -2.918 -7.899 33 HB2 ALA 4 2HB ALA 4 4.082 -2.207 -7.056 34 HB3 ALA 4 3HB ALA 4 2.507 -2.281 -6.266 35 H GLY 5 HN GLY 5 0.288 -0.620 -6.909 36 HA2 GLY 5 1HA GLY 5 -1.072 -1.667 -9.191 37 HA3 GLY 5 2HA GLY 5 -1.821 -0.925 -7.785 38 H ALA 6 HN ALA 6 -0.766 1.607 -7.839 39 HA ALA 6 HA ALA 6 -2.370 2.851 -9.814 40 HB1 ALA 6 1HB ALA 6 -0.937 3.643 -7.484 41 HB2 ALA 6 2HB ALA 6 -0.513 4.730 -8.807 42 HB3 ALA 6 3HB ALA 6 -2.203 4.511 -8.354 43 H ALA 7 HN ALA 7 1.079 2.194 -9.560 44 HA ALA 7 HA ALA 7 1.849 3.763 -11.808 45 HB1 ALA 7 1HB ALA 7 3.380 3.056 -9.971 46 HB2 ALA 7 2HB ALA 7 3.329 1.419 -10.627 47 HB3 ALA 7 3HB ALA 7 3.997 2.735 -11.592 48 H ALA 8 HN ALA 8 1.046 0.348 -11.350 49 HA ALA 8 HA ALA 8 1.709 -0.498 -13.964 50 HB1 ALA 8 1HB ALA 8 1.375 -1.970 -11.951 51 HB2 ALA 8 2HB ALA 8 -0.361 -1.758 -12.179 52 HB3 ALA 8 3HB ALA 8 0.605 -2.531 -13.436 53 H ALA 9 HN ALA 9 -1.377 0.476 -12.494 54 HA ALA 9 HA ALA 9 -2.910 0.115 -14.857 55 HB1 ALA 9 1HB ALA 9 -3.923 0.108 -12.635 56 HB2 ALA 9 2HB ALA 9 -3.506 1.811 -12.435 57 HB3 ALA 9 3HB ALA 9 -4.666 1.326 -13.672 58 H GLY 10 HN GLY 10 -1.195 2.856 -13.452 59 HA2 GLY 10 1HA GLY 10 -2.236 4.787 -15.286 60 HA3 GLY 10 2HA GLY 10 -0.851 5.000 -14.225 61 H ALA 11 HN ALA 11 0.640 2.753 -15.219 62 HA ALA 11 HA ALA 11 1.942 4.017 -17.407 63 HB1 ALA 11 1HB ALA 11 3.227 2.721 -15.843 64 HB2 ALA 11 2HB ALA 11 2.295 1.270 -16.216 65 HB3 ALA 11 3HB ALA 11 3.354 1.977 -17.437 66 H VAL 12 HN VAL 12 -0.138 1.160 -17.125 67 HA VAL 12 HA VAL 12 0.042 0.364 -19.828 68 HB VAL 12 HB VAL 12 -2.134 -0.843 -19.348 69 HG11 VAL 12 1HG1 VAL 12 -0.057 -2.002 -19.113 70 HG12 VAL 12 2HG1 VAL 12 0.250 -1.245 -17.549 71 HG13 VAL 12 3HG1 VAL 12 -1.064 -2.409 -17.724 72 HG21 VAL 12 3HG2 VAL 12 -2.383 -0.916 -16.688 73 HG22 VAL 12 1HG2 VAL 12 -1.841 0.752 -16.872 74 HG23 VAL 12 2HG2 VAL 12 -3.297 0.201 -17.701 75 H VAL 13 HN VAL 13 -2.530 2.138 -18.107 76 HA VAL 13 HA VAL 13 -4.110 2.665 -20.365 77 HB VAL 13 HB VAL 13 -3.886 4.309 -17.840 78 HG11 VAL 13 1HG1 VAL 13 -5.083 5.690 -19.224 79 HG12 VAL 13 2HG1 VAL 13 -5.753 4.352 -20.160 80 HG13 VAL 13 3HG1 VAL 13 -6.384 4.708 -18.552 81 HG21 VAL 13 3HG2 VAL 13 -5.561 2.966 -16.891 82 HG22 VAL 13 1HG2 VAL 13 -5.954 2.215 -18.438 83 HG23 VAL 13 2HG2 VAL 13 -4.437 1.824 -17.628 84 H GLY 14 HN GLY 14 -1.469 4.490 -18.881 85 HA2 GLY 14 1HA GLY 14 -1.726 6.821 -20.450 86 HA3 GLY 14 2HA GLY 14 -0.269 6.304 -19.614 87 H GLY 15 HN GLY 15 -0.121 3.757 -21.046 88 HA2 GLY 15 1HA GLY 15 1.413 4.657 -23.276 89 HA3 GLY 15 2HA GLY 15 1.075 2.984 -22.856 90 H LEU 16 HN LEU 16 -1.608 2.781 -23.051 91 HA LEU 16 HA LEU 16 -2.001 2.722 -25.872 92 HB2 LEU 16 1HB LEU 16 -4.271 1.909 -25.288 93 HB3 LEU 16 2HB LEU 16 -2.963 0.993 -24.542 94 HG LEU 16 HG LEU 16 -3.672 2.940 -22.661 95 HD11 LEU 16 1HD1 LEU 16 -6.050 2.652 -22.364 96 HD12 LEU 16 2HD1 LEU 16 -6.133 1.610 -23.784 97 HD13 LEU 16 3HD1 LEU 16 -5.730 3.317 -23.966 98 HD21 LEU 16 3HD2 LEU 16 -2.919 0.604 -22.291 99 HD22 LEU 16 1HD2 LEU 16 -4.522 0.050 -22.772 100 HD23 LEU 16 2HD2 LEU 16 -4.331 1.049 -21.332 101 H GLY 17 HN GLY 17 -3.274 4.719 -23.241 102 HA2 GLY 17 1HA GLY 17 -5.111 6.175 -24.847 103 HA3 GLY 17 2HA GLY 17 -4.518 6.653 -23.263 104 H GLY 18 HN GLY 18 -1.761 6.779 -23.868 105 HA2 GLY 18 1HA GLY 18 -1.615 9.401 -24.936 106 HA3 GLY 18 2HA GLY 18 -0.247 8.369 -24.547 107 H TYR 19 HN TYR 19 -1.125 6.228 -26.339 108 HA TYR 19 HA TYR 19 0.176 7.139 -28.701 109 HB2 TYR 19 1HB TYR 19 0.411 4.831 -27.965 110 HB3 TYR 19 2HB TYR 19 -1.321 4.571 -28.137 111 HD1 TYR 19 HD1 TYR 19 0.140 6.631 -30.689 112 HD2 TYR 19 HD2 TYR 19 -0.611 2.599 -29.558 113 HE1 TYR 19 HE1 TYR 19 0.481 5.920 -33.019 114 HE2 TYR 19 HE2 TYR 19 -0.271 1.876 -31.884 115 HH TYR 19 HH TYR 19 1.253 3.462 -34.099 116 H MET 20 HN MET 20 -3.121 5.855 -28.212 117 HA MET 20 HA MET 20 -4.142 6.429 -30.712 118 HB2 MET 20 1HB MET 20 -6.380 6.602 -29.489 119 HB3 MET 20 2HB MET 20 -5.477 5.104 -29.299 120 HG2 MET 20 1HG MET 20 -4.541 6.217 -27.164 121 HG3 MET 20 2HG MET 20 -5.918 7.304 -27.329 122 HE1 MET 20 3HE MET 20 -4.972 3.778 -27.901 123 HE2 MET 20 1HE MET 20 -5.821 2.847 -26.666 124 HE3 MET 20 2HE MET 20 -6.610 3.195 -28.204 125 H LEU 21 HN LEU 21 -4.591 8.445 -27.799 126 HA LEU 21 HA LEU 21 -5.690 10.642 -29.157 127 HB2 LEU 21 1HB LEU 21 -5.041 9.960 -26.503 128 HB3 LEU 21 2HB LEU 21 -4.234 11.491 -26.838 129 HG LEU 21 HG LEU 21 -6.385 11.891 -25.815 130 HD11 LEU 21 1HD1 LEU 21 -6.843 12.592 -28.679 131 HD12 LEU 21 2HD1 LEU 21 -5.457 13.268 -27.824 132 HD13 LEU 21 3HD1 LEU 21 -7.090 13.564 -27.228 133 HD21 LEU 21 3HD2 LEU 21 -7.561 10.386 -28.150 134 HD22 LEU 21 1HD2 LEU 21 -8.464 11.216 -26.883 135 HD23 LEU 21 2HD2 LEU 21 -7.482 9.806 -26.486 136 H GLY 22 HN GLY 22 -2.412 9.604 -28.717 137 HA2 GLY 22 1HA GLY 22 -1.171 12.121 -29.250 138 HA3 GLY 22 2HA GLY 22 -0.392 10.547 -29.300 139 H SER 23 HN SER 23 -1.595 9.202 -31.254 140 HA SER 23 HA SER 23 -0.614 10.501 -33.606 141 HB2 SER 23 1HB SER 23 -1.321 7.832 -32.821 142 HB3 SER 23 2HB SER 23 -2.129 8.221 -34.339 143 HG SER 23 HG SER 23 -0.194 8.561 -35.295 144 H ALA 24 HN ALA 24 -3.735 10.040 -32.143 145 HA ALA 24 HA ALA 24 -5.346 10.547 -34.408 146 HB1 ALA 24 1HB ALA 24 -6.025 11.117 -31.527 147 HB2 ALA 24 2HB ALA 24 -7.153 10.865 -32.860 148 HB3 ALA 24 3HB ALA 24 -6.151 9.531 -32.289 149 H MET 25 HN MET 25 -4.052 12.676 -31.881 150 HA MET 25 HA MET 25 -5.243 15.027 -33.036 151 HB2 MET 25 1HB MET 25 -3.903 14.335 -30.588 152 HB3 MET 25 2HB MET 25 -3.171 15.778 -31.274 153 HG2 MET 25 1HG MET 25 -5.054 17.033 -31.013 154 HG3 MET 25 2HG MET 25 -6.131 15.644 -31.140 155 HE1 MET 25 3HE MET 25 -3.790 17.017 -27.458 156 HE2 MET 25 1HE MET 25 -3.001 15.783 -28.440 157 HE3 MET 25 2HE MET 25 -3.421 17.341 -29.152 158 H SER 26 HN SER 26 -2.235 13.322 -33.306 159 HA SER 26 HA SER 26 -0.719 15.476 -34.406 160 HB2 SER 26 1HB SER 26 0.543 13.728 -33.421 161 HB3 SER 26 2HB SER 26 -0.320 12.487 -34.329 162 HG SER 26 HG SER 26 0.717 13.150 -36.187 163 H ARG 27 HN ARG 27 -2.803 12.988 -35.709 164 HA ARG 27 HA ARG 27 -3.640 12.612 -37.790 165 HB2 ARG 27 1HB ARG 27 -2.729 15.413 -38.452 166 HB3 ARG 27 2HB ARG 27 -4.023 14.499 -39.215 167 HG2 ARG 27 1HG ARG 27 -4.047 15.390 -36.341 168 HG3 ARG 27 2HG ARG 27 -4.804 16.272 -37.668 169 HD2 ARG 27 1HD ARG 27 -6.244 14.371 -38.138 170 HD3 ARG 27 2HD ARG 27 -5.455 13.439 -36.866 171 HE ARG 27 HE ARG 27 -6.354 15.613 -35.547 172 HH11 ARG 27 1HH1 ARG 27 -7.877 13.353 -37.713 173 HH12 ARG 27 2HH1 ARG 27 -9.440 13.504 -36.980 174 HH21 ARG 27 1HH2 ARG 27 -8.407 15.821 -34.574 175 HH22 ARG 27 2HH2 ARG 27 -9.740 14.908 -35.195 Start of MODEL 15 1 H1 LYS 1 HN LYS 1 2.971 1.180 0.070 2 HA LYS 1 HA LYS 1 3.411 -0.812 -1.670 3 HB2 LYS 1 1HB LYS 1 1.546 -2.059 -0.648 4 HB3 LYS 1 2HB LYS 1 2.516 -1.217 0.553 5 HG2 LYS 1 1HG LYS 1 0.501 -0.604 1.337 6 HG3 LYS 1 2HG LYS 1 0.639 0.648 0.100 7 HD2 LYS 1 1HD LYS 1 -1.410 -0.151 -0.468 8 HD3 LYS 1 2HD LYS 1 -0.429 -1.292 -1.391 9 HE2 LYS 1 1HE LYS 1 -1.797 -2.760 -0.305 10 HE3 LYS 1 2HE LYS 1 -0.499 -2.638 0.883 11 HZ1 LYS 1 3HZ LYS 1 -2.304 -0.585 1.407 12 HZ2 LYS 1 1HZ LYS 1 -1.989 -1.955 2.348 13 HZ3 LYS 1 2HZ LYS 1 -3.218 -1.991 1.187 14 H HIS 2 HN HIS 2 0.645 1.373 -1.773 15 HA HIS 2 HA HIS 2 -0.652 0.026 -3.936 16 HB2 HIS 2 1HB HIS 2 -1.731 1.576 -2.209 17 HB3 HIS 2 2HB HIS 2 -1.075 2.907 -3.157 18 HD1 HIS 2 HD1 HIS 2 -2.824 3.859 -4.602 19 HD2 HIS 2 HD2 HIS 2 -3.221 -0.260 -4.228 20 HE1 HIS 2 HE1 HIS 2 -4.807 3.243 -6.021 21 H MET 3 HN MET 3 2.186 1.614 -3.879 22 HA MET 3 HA MET 3 2.034 3.352 -6.101 23 HB2 MET 3 1HB MET 3 4.553 3.012 -6.162 24 HB3 MET 3 2HB MET 3 3.885 3.633 -4.658 25 HG2 MET 3 1HG MET 3 4.932 2.010 -3.589 26 HG3 MET 3 2HG MET 3 3.869 0.855 -4.389 27 HE1 MET 3 3HE MET 3 4.422 -0.824 -5.527 28 HE2 MET 3 1HE MET 3 5.818 -1.138 -6.559 29 HE3 MET 3 2HE MET 3 5.945 -1.356 -4.813 30 H ALA 4 HN ALA 4 2.529 -0.094 -5.792 31 HA ALA 4 HA ALA 4 3.448 -0.529 -8.455 32 HB1 ALA 4 1HB ALA 4 4.037 -2.250 -7.040 33 HB2 ALA 4 2HB ALA 4 2.458 -2.286 -6.252 34 HB3 ALA 4 3HB ALA 4 2.647 -2.940 -7.879 35 H GLY 5 HN GLY 5 0.284 -0.573 -6.890 36 HA2 GLY 5 1HA GLY 5 -1.118 -1.608 -9.152 37 HA3 GLY 5 2HA GLY 5 -1.838 -0.835 -7.748 38 H ALA 6 HN ALA 6 -0.722 1.670 -7.834 39 HA ALA 6 HA ALA 6 -2.309 2.935 -9.809 40 HB1 ALA 6 1HB ALA 6 -2.091 4.603 -8.366 41 HB2 ALA 6 2HB ALA 6 -0.838 3.715 -7.498 42 HB3 ALA 6 3HB ALA 6 -0.400 4.777 -8.835 43 H ALA 7 HN ALA 7 1.124 2.195 -9.575 44 HA ALA 7 HA ALA 7 1.914 3.723 -11.844 45 HB1 ALA 7 1HB ALA 7 3.441 2.998 -10.010 46 HB2 ALA 7 2HB ALA 7 3.348 1.357 -10.650 47 HB3 ALA 7 3HB ALA 7 4.040 2.648 -11.632 48 H ALA 8 HN ALA 8 1.034 0.334 -11.344 49 HA ALA 8 HA ALA 8 1.657 -0.556 -13.954 50 HB1 ALA 8 1HB ALA 8 0.505 -2.555 -13.398 51 HB2 ALA 8 2HB ALA 8 1.302 -2.000 -11.925 52 HB3 ALA 8 3HB ALA 8 -0.430 -1.746 -12.140 53 H ALA 9 HN ALA 9 -1.393 0.512 -12.473 54 HA ALA 9 HA ALA 9 -2.949 0.165 -14.825 55 HB1 ALA 9 1HB ALA 9 -4.673 0.659 -13.497 56 HB2 ALA 9 2HB ALA 9 -3.498 0.665 -12.181 57 HB3 ALA 9 3HB ALA 9 -3.945 2.177 -12.970 58 H GLY 10 HN GLY 10 -1.168 2.877 -13.445 59 HA2 GLY 10 1HA GLY 10 -2.176 4.821 -15.281 60 HA3 GLY 10 2HA GLY 10 -0.778 5.007 -14.233 61 H ALA 11 HN ALA 11 0.650 2.718 -15.229 62 HA ALA 11 HA ALA 11 1.964 3.942 -17.433 63 HB1 ALA 11 1HB ALA 11 3.171 2.584 -15.807 64 HB2 ALA 11 2HB ALA 11 2.272 1.156 -16.321 65 HB3 ALA 11 3HB ALA 11 3.380 1.951 -17.440 66 H VAL 12 HN VAL 12 -0.186 1.142 -17.118 67 HA VAL 12 HA VAL 12 -0.045 0.321 -19.816 68 HB VAL 12 HB VAL 12 -2.242 -0.830 -19.317 69 HG11 VAL 12 1HG1 VAL 12 -0.196 -2.037 -19.063 70 HG12 VAL 12 2HG1 VAL 12 0.131 -1.263 -17.511 71 HG13 VAL 12 3HG1 VAL 12 -1.210 -2.398 -17.666 72 HG21 VAL 12 3HG2 VAL 12 -3.348 0.349 -17.694 73 HG22 VAL 12 1HG2 VAL 12 -2.575 -0.888 -16.703 74 HG23 VAL 12 2HG2 VAL 12 -1.872 0.726 -16.806 75 H VAL 13 HN VAL 13 -2.556 2.177 -18.093 76 HA VAL 13 HA VAL 13 -4.135 2.730 -20.347 77 HB VAL 13 HB VAL 13 -3.858 4.393 -17.840 78 HG11 VAL 13 1HG1 VAL 13 -5.484 4.658 -20.231 79 HG12 VAL 13 2HG1 VAL 13 -6.456 4.572 -18.761 80 HG13 VAL 13 3HG1 VAL 13 -5.204 5.805 -18.921 81 HG21 VAL 13 3HG2 VAL 13 -6.204 2.701 -18.049 82 HG22 VAL 13 1HG2 VAL 13 -4.708 1.768 -18.060 83 HG23 VAL 13 2HG2 VAL 13 -5.050 2.871 -16.727 84 H GLY 14 HN GLY 14 -1.440 4.494 -18.885 85 HA2 GLY 14 1HA GLY 14 -1.644 6.823 -20.466 86 HA3 GLY 14 2HA GLY 14 -0.197 6.272 -19.635 87 H GLY 15 HN GLY 15 -0.125 3.714 -21.054 88 HA2 GLY 15 1HA GLY 15 1.422 4.561 -23.296 89 HA3 GLY 15 2HA GLY 15 1.042 2.900 -22.865 90 H LEU 16 HN LEU 16 -1.646 2.767 -23.047 91 HA LEU 16 HA LEU 16 -2.054 2.703 -25.865 92 HB2 LEU 16 1HB LEU 16 -4.342 1.953 -25.266 93 HB3 LEU 16 2HB LEU 16 -3.055 1.007 -24.520 94 HG LEU 16 HG LEU 16 -3.704 2.982 -22.648 95 HD11 LEU 16 1HD1 LEU 16 -6.205 1.715 -23.752 96 HD12 LEU 16 2HD1 LEU 16 -5.756 3.409 -23.946 97 HD13 LEU 16 3HD1 LEU 16 -6.086 2.763 -22.339 98 HD21 LEU 16 3HD2 LEU 16 -3.013 0.628 -22.269 99 HD22 LEU 16 1HD2 LEU 16 -4.633 0.116 -22.740 100 HD23 LEU 16 2HD2 LEU 16 -4.408 1.117 -21.306 101 H GLY 17 HN GLY 17 -3.261 4.746 -23.239 102 HA2 GLY 17 1HA GLY 17 -5.067 6.242 -24.844 103 HA3 GLY 17 2HA GLY 17 -4.454 6.712 -23.265 104 H GLY 18 HN GLY 18 -1.698 6.763 -23.883 105 HA2 GLY 18 1HA GLY 18 -1.488 9.375 -24.966 106 HA3 GLY 18 2HA GLY 18 -0.146 8.309 -24.578 107 H TYR 19 HN TYR 19 -1.088 6.183 -26.354 108 HA TYR 19 HA TYR 19 0.226 7.047 -28.727 109 HB2 TYR 19 1HB TYR 19 0.404 4.738 -27.980 110 HB3 TYR 19 2HB TYR 19 -1.336 4.522 -28.141 111 HD1 TYR 19 HD1 TYR 19 0.168 6.529 -30.712 112 HD2 TYR 19 HD2 TYR 19 -0.687 2.525 -29.556 113 HE1 TYR 19 HE1 TYR 19 0.478 5.797 -33.040 114 HE2 TYR 19 HE2 TYR 19 -0.378 1.782 -31.880 115 HH TYR 19 HH TYR 19 0.794 3.964 -34.367 116 H MET 20 HN MET 20 -3.101 5.854 -28.217 117 HA MET 20 HA MET 20 -4.118 6.441 -30.715 118 HB2 MET 20 1HB MET 20 -6.345 6.680 -29.483 119 HB3 MET 20 2HB MET 20 -5.482 5.160 -29.289 120 HG2 MET 20 1HG MET 20 -4.507 6.257 -27.164 121 HG3 MET 20 2HG MET 20 -5.855 7.381 -27.328 122 HE1 MET 20 3HE MET 20 -5.874 2.927 -26.640 123 HE2 MET 20 1HE MET 20 -6.661 3.286 -28.178 124 HE3 MET 20 2HE MET 20 -5.008 3.827 -27.886 125 H LEU 21 HN LEU 21 -4.501 8.484 -27.810 126 HA LEU 21 HA LEU 21 -5.547 10.702 -29.175 127 HB2 LEU 21 1HB LEU 21 -4.903 10.017 -26.521 128 HB3 LEU 21 2HB LEU 21 -4.059 11.525 -26.868 129 HG LEU 21 HG LEU 21 -6.454 12.229 -27.761 130 HD11 LEU 21 1HD1 LEU 21 -8.261 11.189 -26.802 131 HD12 LEU 21 2HD1 LEU 21 -7.309 10.504 -25.486 132 HD13 LEU 21 3HD1 LEU 21 -7.202 9.812 -27.105 133 HD21 LEU 21 3HD2 LEU 21 -5.483 12.182 -24.915 134 HD22 LEU 21 1HD2 LEU 21 -6.926 13.060 -25.421 135 HD23 LEU 21 2HD2 LEU 21 -5.352 13.489 -26.093 136 H GLY 22 HN GLY 22 -2.296 9.580 -28.744 137 HA2 GLY 22 1HA GLY 22 -0.991 12.060 -29.297 138 HA3 GLY 22 2HA GLY 22 -0.254 10.465 -29.341 139 H SER 23 HN SER 23 -1.502 9.143 -31.283 140 HA SER 23 HA SER 23 -0.498 10.403 -33.646 141 HB2 SER 23 1HB SER 23 -0.284 8.234 -34.176 142 HB3 SER 23 2HB SER 23 -1.342 7.755 -32.849 143 HG SER 23 HG SER 23 -3.097 7.967 -34.180 144 H ALA 24 HN ALA 24 -3.623 10.032 -32.167 145 HA ALA 24 HA ALA 24 -5.230 10.570 -34.427 146 HB1 ALA 24 1HB ALA 24 -7.022 10.944 -32.874 147 HB2 ALA 24 2HB ALA 24 -6.052 9.587 -32.299 148 HB3 ALA 24 3HB ALA 24 -5.882 11.173 -31.547 149 H MET 25 HN MET 25 -3.868 12.678 -31.917 150 HA MET 25 HA MET 25 -5.003 15.053 -33.079 151 HB2 MET 25 1HB MET 25 -3.670 14.338 -30.634 152 HB3 MET 25 2HB MET 25 -2.903 15.759 -31.331 153 HG2 MET 25 1HG MET 25 -4.569 17.057 -30.680 154 HG3 MET 25 2HG MET 25 -5.756 16.013 -31.458 155 HE1 MET 25 3HE MET 25 -7.220 16.827 -28.158 156 HE2 MET 25 1HE MET 25 -7.220 16.965 -29.916 157 HE3 MET 25 2HE MET 25 -7.890 15.527 -29.145 158 H SER 26 HN SER 26 -2.042 13.267 -33.353 159 HA SER 26 HA SER 26 -0.475 15.375 -34.473 160 HB2 SER 26 1HB SER 26 0.525 13.387 -33.377 161 HB3 SER 26 2HB SER 26 -0.074 12.382 -34.696 162 HG SER 26 HG SER 26 1.204 13.704 -36.115 163 H ARG 27 HN ARG 27 -2.630 12.936 -35.752 164 HA ARG 27 HA ARG 27 -3.505 12.591 -37.823 165 HB2 ARG 27 1HB ARG 27 -2.452 15.332 -38.522 166 HB3 ARG 27 2HB ARG 27 -3.789 14.475 -39.277 167 HG2 ARG 27 1HG ARG 27 -3.776 15.397 -36.413 168 HG3 ARG 27 2HG ARG 27 -4.479 16.307 -37.752 169 HD2 ARG 27 1HD ARG 27 -6.019 14.485 -38.210 170 HD3 ARG 27 2HD ARG 27 -5.284 13.519 -36.931 171 HE ARG 27 HE ARG 27 -6.182 15.969 -35.871 172 HH11 ARG 27 1HH1 ARG 27 -7.391 12.951 -37.117 173 HH12 ARG 27 2HH1 ARG 27 -8.843 12.993 -36.173 174 HH21 ARG 27 1HH2 ARG 27 -8.090 16.035 -34.622 175 HH22 ARG 27 2HH2 ARG 27 -9.240 14.747 -34.754 Start of MODEL 16 1 H1 LYS 1 HN LYS 1 1.798 0.000 0.710 2 HA LYS 1 HA LYS 1 3.156 0.313 -1.514 3 HB2 LYS 1 1HB LYS 1 3.038 -2.054 -1.993 4 HB3 LYS 1 2HB LYS 1 3.043 -1.817 -0.250 5 HG2 LYS 1 1HG LYS 1 1.138 -2.923 -0.045 6 HG3 LYS 1 2HG LYS 1 0.345 -1.864 -1.213 7 HD2 LYS 1 1HD LYS 1 1.547 -3.277 -2.995 8 HD3 LYS 1 2HD LYS 1 1.809 -4.440 -1.694 9 HE2 LYS 1 1HE LYS 1 -0.179 -5.246 -2.405 10 HE3 LYS 1 2HE LYS 1 -0.814 -3.973 -1.364 11 HZ1 LYS 1 3HZ LYS 1 -0.851 -2.518 -3.357 12 HZ2 LYS 1 1HZ LYS 1 -1.904 -3.838 -3.459 13 HZ3 LYS 1 2HZ LYS 1 -0.439 -3.858 -4.305 14 H HIS 2 HN HIS 2 0.497 1.637 -1.743 15 HA HIS 2 HA HIS 2 -0.845 0.463 -3.979 16 HB2 HIS 2 1HB HIS 2 -1.571 2.299 -2.122 17 HB3 HIS 2 2HB HIS 2 -1.201 3.356 -3.481 18 HD1 HIS 2 HD1 HIS 2 -2.918 -0.032 -3.547 19 HD2 HIS 2 HD2 HIS 2 -3.666 3.954 -4.446 20 HE1 HIS 2 HE1 HIS 2 -5.191 -0.001 -4.620 21 H MET 3 HN MET 3 2.108 1.814 -3.805 22 HA MET 3 HA MET 3 2.141 3.620 -5.983 23 HB2 MET 3 1HB MET 3 3.950 3.714 -4.442 24 HB3 MET 3 2HB MET 3 4.299 2.002 -4.637 25 HG2 MET 3 1HG MET 3 4.507 3.164 -7.190 26 HG3 MET 3 2HG MET 3 5.348 4.233 -6.069 27 HE1 MET 3 3HE MET 3 5.160 0.467 -7.419 28 HE2 MET 3 1HE MET 3 6.294 -0.274 -6.289 29 HE3 MET 3 2HE MET 3 4.791 0.431 -5.694 30 H ALA 4 HN ALA 4 2.604 0.137 -5.727 31 HA ALA 4 HA ALA 4 3.447 -0.240 -8.421 32 HB1 ALA 4 1HB ALA 4 2.130 -2.384 -6.803 33 HB2 ALA 4 2HB ALA 4 3.450 -2.513 -7.965 34 HB3 ALA 4 3HB ALA 4 3.739 -1.799 -6.379 35 H GLY 5 HN GLY 5 0.329 -0.342 -6.772 36 HA2 GLY 5 1HA GLY 5 -1.129 -1.364 -9.000 37 HA3 GLY 5 2HA GLY 5 -1.814 -0.599 -7.574 38 H ALA 6 HN ALA 6 -0.722 1.911 -7.674 39 HA ALA 6 HA ALA 6 -2.363 3.174 -9.608 40 HB1 ALA 6 1HB ALA 6 -2.127 4.845 -8.172 41 HB2 ALA 6 2HB ALA 6 -0.869 3.951 -7.317 42 HB3 ALA 6 3HB ALA 6 -0.439 5.019 -8.653 43 H ALA 7 HN ALA 7 1.080 2.459 -9.449 44 HA ALA 7 HA ALA 7 1.814 4.009 -11.720 45 HB1 ALA 7 1HB ALA 7 3.285 1.639 -10.583 46 HB2 ALA 7 2HB ALA 7 3.950 2.949 -11.560 47 HB3 ALA 7 3HB ALA 7 3.381 3.272 -9.922 48 H ALA 8 HN ALA 8 0.961 0.612 -11.234 49 HA ALA 8 HA ALA 8 1.535 -0.250 -13.865 50 HB1 ALA 8 1HB ALA 8 0.407 -2.261 -13.303 51 HB2 ALA 8 2HB ALA 8 1.236 -1.716 -11.845 52 HB3 ALA 8 3HB ALA 8 -0.502 -1.470 -12.015 53 H ALA 9 HN ALA 9 -1.489 0.782 -12.307 54 HA ALA 9 HA ALA 9 -3.093 0.447 -14.629 55 HB1 ALA 9 1HB ALA 9 -4.346 2.352 -13.024 56 HB2 ALA 9 2HB ALA 9 -4.628 0.610 -13.030 57 HB3 ALA 9 3HB ALA 9 -3.466 1.312 -11.905 58 H GLY 10 HN GLY 10 -1.301 3.158 -13.262 59 HA2 GLY 10 1HA GLY 10 -2.362 5.112 -15.058 60 HA3 GLY 10 2HA GLY 10 -0.943 5.298 -14.038 61 H ALA 11 HN ALA 11 0.479 3.029 -15.085 62 HA ALA 11 HA ALA 11 1.738 4.282 -17.306 63 HB1 ALA 11 1HB ALA 11 3.169 2.305 -17.360 64 HB2 ALA 11 2HB ALA 11 2.985 2.914 -15.715 65 HB3 ALA 11 3HB ALA 11 2.089 1.486 -16.232 66 H VAL 12 HN VAL 12 -0.386 1.465 -16.971 67 HA VAL 12 HA VAL 12 -0.297 0.669 -19.679 68 HB VAL 12 HB VAL 12 -2.475 -0.501 -19.144 69 HG11 VAL 12 1HG1 VAL 12 -1.398 -2.075 -17.528 70 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.696 -18.944 71 HG13 VAL 12 3HG1 VAL 12 -0.061 -0.933 -17.394 72 HG21 VAL 12 3HG2 VAL 12 -2.751 -0.584 -16.522 73 HG22 VAL 12 1HG2 VAL 12 -2.063 1.036 -16.630 74 HG23 VAL 12 2HG2 VAL 12 -3.556 0.653 -17.487 75 H VAL 13 HN VAL 13 -2.784 2.492 -17.886 76 HA VAL 13 HA VAL 13 -4.413 3.055 -20.101 77 HB VAL 13 HB VAL 13 -4.095 4.697 -17.584 78 HG11 VAL 13 1HG1 VAL 13 -6.650 5.037 -18.281 79 HG12 VAL 13 2HG1 VAL 13 -5.358 6.099 -18.845 80 HG13 VAL 13 3HG1 VAL 13 -5.956 4.805 -19.885 81 HG21 VAL 13 3HG2 VAL 13 -5.251 3.154 -16.462 82 HG22 VAL 13 1HG2 VAL 13 -6.433 2.990 -17.761 83 HG23 VAL 13 2HG2 VAL 13 -4.932 2.066 -17.812 84 H GLY 14 HN GLY 14 -1.701 4.824 -18.679 85 HA2 GLY 14 1HA GLY 14 -1.953 7.166 -20.232 86 HA3 GLY 14 2HA GLY 14 -0.485 6.618 -19.437 87 H GLY 15 HN GLY 15 -0.425 4.074 -20.882 88 HA2 GLY 15 1HA GLY 15 1.068 4.954 -23.148 89 HA3 GLY 15 2HA GLY 15 0.708 3.287 -22.725 90 H LEU 16 HN LEU 16 -1.981 3.136 -22.851 91 HA LEU 16 HA LEU 16 -2.449 3.096 -25.661 92 HB2 LEU 16 1HB LEU 16 -4.718 2.324 -25.022 93 HB3 LEU 16 2HB LEU 16 -3.409 1.381 -24.312 94 HG LEU 16 HG LEU 16 -4.032 3.332 -22.407 95 HD11 LEU 16 1HD1 LEU 16 -6.406 3.091 -22.051 96 HD12 LEU 16 2HD1 LEU 16 -6.547 2.058 -23.473 97 HD13 LEU 16 3HD1 LEU 16 -6.114 3.758 -23.657 98 HD21 LEU 16 3HD2 LEU 16 -4.693 1.449 -21.069 99 HD22 LEU 16 1HD2 LEU 16 -3.317 0.980 -22.067 100 HD23 LEU 16 2HD2 LEU 16 -4.944 0.460 -22.508 101 H GLY 17 HN GLY 17 -3.615 5.105 -22.990 102 HA2 GLY 17 1HA GLY 17 -5.465 6.604 -24.542 103 HA3 GLY 17 2HA GLY 17 -4.821 7.063 -22.972 104 H GLY 18 HN GLY 18 -2.079 7.139 -23.648 105 HA2 GLY 18 1HA GLY 18 -1.910 9.763 -24.709 106 HA3 GLY 18 2HA GLY 18 -0.553 8.703 -24.360 107 H TYR 19 HN TYR 19 -1.519 6.587 -26.137 108 HA TYR 19 HA TYR 19 -0.261 7.483 -28.528 109 HB2 TYR 19 1HB TYR 19 -0.052 5.168 -27.808 110 HB3 TYR 19 2HB TYR 19 -1.792 4.943 -27.935 111 HD1 TYR 19 HD2 TYR 19 -0.359 6.985 -30.517 112 HD2 TYR 19 HD1 TYR 19 -1.156 2.962 -29.381 113 HE1 TYR 19 HE2 TYR 19 -0.095 6.277 -32.858 114 HE2 TYR 19 HE1 TYR 19 -0.892 2.244 -31.718 115 HH TYR 19 HH TYR 19 0.440 3.249 -33.813 116 H MET 20 HN MET 20 -3.568 6.262 -27.960 117 HA MET 20 HA MET 20 -4.642 6.866 -30.430 118 HB2 MET 20 1HB MET 20 -6.844 7.077 -29.148 119 HB3 MET 20 2HB MET 20 -5.966 5.562 -28.988 120 HG2 MET 20 1HG MET 20 -4.954 6.645 -26.874 121 HG3 MET 20 2HG MET 20 -6.313 7.760 -26.998 122 HE1 MET 20 3HE MET 20 -5.452 4.220 -27.609 123 HE2 MET 20 1HE MET 20 -6.283 3.301 -26.353 124 HE3 MET 20 2HE MET 20 -7.107 3.667 -27.869 125 H LEU 21 HN LEU 21 -4.977 8.878 -27.498 126 HA LEU 21 HA LEU 21 -6.067 11.102 -28.818 127 HB2 LEU 21 1HB LEU 21 -5.361 10.395 -26.185 128 HB3 LEU 21 2HB LEU 21 -4.538 11.914 -26.535 129 HG LEU 21 HG LEU 21 -6.823 12.788 -27.265 130 HD11 LEU 21 1HD1 LEU 21 -7.541 10.126 -26.813 131 HD12 LEU 21 2HD1 LEU 21 -8.613 11.483 -27.157 132 HD13 LEU 21 3HD1 LEU 21 -8.256 11.042 -25.487 133 HD21 LEU 21 3HD2 LEU 21 -5.805 13.558 -25.242 134 HD22 LEU 21 1HD2 LEU 21 -6.241 12.073 -24.396 135 HD23 LEU 21 2HD2 LEU 21 -7.499 13.202 -24.900 136 H GLY 22 HN GLY 22 -2.800 9.999 -28.467 137 HA2 GLY 22 1HA GLY 22 -1.524 12.493 -29.022 138 HA3 GLY 22 2HA GLY 22 -0.778 10.904 -29.098 139 H SER 23 HN SER 23 -2.057 9.592 -31.026 140 HA SER 23 HA SER 23 -1.111 10.883 -33.397 141 HB2 SER 23 1HB SER 23 -0.892 8.720 -33.950 142 HB3 SER 23 2HB SER 23 -1.923 8.221 -32.609 143 HG SER 23 HG SER 23 -3.656 8.263 -33.898 144 H ALA 24 HN ALA 24 -4.202 10.475 -31.856 145 HA ALA 24 HA ALA 24 -5.860 11.023 -34.076 146 HB1 ALA 24 1HB ALA 24 -6.454 11.593 -31.177 147 HB2 ALA 24 2HB ALA 24 -7.621 11.370 -32.481 148 HB3 ALA 24 3HB ALA 24 -6.630 10.013 -31.942 149 H MET 25 HN MET 25 -4.460 13.116 -31.575 150 HA MET 25 HA MET 25 -5.635 15.494 -32.689 151 HB2 MET 25 1HB MET 25 -4.244 14.765 -30.280 152 HB3 MET 25 2HB MET 25 -3.506 16.200 -30.978 153 HG2 MET 25 1HG MET 25 -5.145 17.457 -30.202 154 HG3 MET 25 2HG MET 25 -6.332 16.494 -31.078 155 HE1 MET 25 3HE MET 25 -7.894 17.245 -29.570 156 HE2 MET 25 1HE MET 25 -8.518 15.689 -29.023 157 HE3 MET 25 2HE MET 25 -8.036 16.909 -27.844 158 H SER 26 HN SER 26 -2.669 13.733 -33.043 159 HA SER 26 HA SER 26 -1.140 15.863 -34.173 160 HB2 SER 26 1HB SER 26 -0.807 12.888 -33.976 161 HB3 SER 26 2HB SER 26 0.249 13.818 -35.040 162 HG SER 26 HG SER 26 0.966 13.492 -32.788 163 H ARG 27 HN ARG 27 -3.305 13.422 -35.433 164 HA ARG 27 HA ARG 27 -2.592 13.696 -38.166 165 HB2 ARG 27 1HB ARG 27 -4.614 12.290 -36.606 166 HB3 ARG 27 2HB ARG 27 -5.245 12.885 -38.136 167 HG2 ARG 27 1HG ARG 27 -4.467 10.681 -38.507 168 HG3 ARG 27 2HG ARG 27 -3.304 11.772 -39.263 169 HD2 ARG 27 1HD ARG 27 -2.237 11.544 -36.791 170 HD3 ARG 27 2HD ARG 27 -2.991 9.959 -36.963 171 HE ARG 27 HE ARG 27 -1.609 10.366 -39.300 172 HH11 ARG 27 1HH1 ARG 27 -0.828 10.261 -35.909 173 HH12 ARG 27 2HH1 ARG 27 0.782 9.675 -36.164 174 HH21 ARG 27 1HH2 ARG 27 0.509 9.594 -39.649 175 HH22 ARG 27 2HH2 ARG 27 1.542 9.297 -38.292 Start of MODEL 17 1 H1 LYS 1 HN LYS 1 2.784 1.324 -1.019 2 HA LYS 1 HA LYS 1 3.824 -1.238 -2.041 3 HB2 LYS 1 1HB LYS 1 1.841 -2.293 -0.922 4 HB3 LYS 1 2HB LYS 1 3.033 -1.621 0.183 5 HG2 LYS 1 1HG LYS 1 1.595 0.425 0.341 6 HG3 LYS 1 2HG LYS 1 0.365 -0.457 -0.567 7 HD2 LYS 1 1HD LYS 1 0.926 -2.263 1.354 8 HD3 LYS 1 2HD LYS 1 1.248 -0.766 2.232 9 HE2 LYS 1 1HE LYS 1 -0.965 0.045 1.767 10 HE3 LYS 1 2HE LYS 1 -1.291 -1.323 0.704 11 HZ1 LYS 1 3HZ LYS 1 -1.192 -2.802 2.576 12 HZ2 LYS 1 1HZ LYS 1 -2.292 -1.563 2.920 13 HZ3 LYS 1 2HZ LYS 1 -0.751 -1.542 3.616 14 H HIS 2 HN HIS 2 1.032 0.952 -1.994 15 HA HIS 2 HA HIS 2 -0.295 -0.361 -4.160 16 HB2 HIS 2 1HB HIS 2 -1.336 1.113 -2.322 17 HB3 HIS 2 2HB HIS 2 -0.803 2.479 -3.297 18 HD1 HIS 2 HD1 HIS 2 -2.398 3.241 -5.033 19 HD2 HIS 2 HD2 HIS 2 -3.135 -0.675 -3.857 20 HE1 HIS 2 HE1 HIS 2 -4.501 2.563 -6.234 21 H MET 3 HN MET 3 2.488 1.322 -4.144 22 HA MET 3 HA MET 3 2.195 3.137 -6.289 23 HB2 MET 3 1HB MET 3 4.720 2.884 -6.455 24 HB3 MET 3 2HB MET 3 4.089 3.426 -4.905 25 HG2 MET 3 1HG MET 3 5.224 1.800 -3.935 26 HG3 MET 3 2HG MET 3 4.175 0.639 -4.745 27 HE1 MET 3 3HE MET 3 6.110 -1.191 -7.064 28 HE2 MET 3 1HE MET 3 6.309 -1.480 -5.335 29 HE3 MET 3 2HE MET 3 4.744 -0.970 -5.970 30 H ALA 4 HN ALA 4 2.816 -0.300 -6.134 31 HA ALA 4 HA ALA 4 3.648 -0.602 -8.843 32 HB1 ALA 4 1HB ALA 4 2.796 -2.475 -6.678 33 HB2 ALA 4 2HB ALA 4 2.954 -3.059 -8.336 34 HB3 ALA 4 3HB ALA 4 4.345 -2.353 -7.513 35 H GLY 5 HN GLY 5 0.548 -0.814 -7.168 36 HA2 GLY 5 1HA GLY 5 -0.902 -1.811 -9.416 37 HA3 GLY 5 2HA GLY 5 -1.595 -1.116 -7.958 38 H ALA 6 HN ALA 6 -0.566 1.427 -7.986 39 HA ALA 6 HA ALA 6 -2.267 2.710 -9.852 40 HB1 ALA 6 1HB ALA 6 -2.051 4.329 -8.354 41 HB2 ALA 6 2HB ALA 6 -0.738 3.452 -7.567 42 HB3 ALA 6 3HB ALA 6 -0.385 4.579 -8.877 43 H ALA 7 HN ALA 7 1.195 2.081 -9.771 44 HA ALA 7 HA ALA 7 1.849 3.719 -12.006 45 HB1 ALA 7 1HB ALA 7 3.466 2.979 -10.258 46 HB2 ALA 7 2HB ALA 7 3.403 1.361 -10.958 47 HB3 ALA 7 3HB ALA 7 4.015 2.711 -11.913 48 H ALA 8 HN ALA 8 1.100 0.285 -11.607 49 HA ALA 8 HA ALA 8 1.655 -0.483 -14.270 50 HB1 ALA 8 1HB ALA 8 -0.323 -1.812 -12.431 51 HB2 ALA 8 2HB ALA 8 0.593 -2.541 -13.750 52 HB3 ALA 8 3HB ALA 8 1.423 -2.013 -12.286 53 H ALA 9 HN ALA 9 -1.371 0.422 -12.639 54 HA ALA 9 HA ALA 9 -3.002 0.110 -14.946 55 HB1 ALA 9 1HB ALA 9 -4.684 0.476 -13.529 56 HB2 ALA 9 2HB ALA 9 -3.459 0.509 -12.259 57 HB3 ALA 9 3HB ALA 9 -4.009 2.015 -12.994 58 H GLY 10 HN GLY 10 -1.262 2.828 -13.526 59 HA2 GLY 10 1HA GLY 10 -2.402 4.804 -15.248 60 HA3 GLY 10 2HA GLY 10 -0.973 4.999 -14.245 61 H ALA 11 HN ALA 11 0.492 2.800 -15.380 62 HA ALA 11 HA ALA 11 1.681 4.150 -17.581 63 HB1 ALA 11 1HB ALA 11 2.120 1.456 -16.333 64 HB2 ALA 11 2HB ALA 11 3.007 1.977 -17.766 65 HB3 ALA 11 3HB ALA 11 3.148 2.887 -16.262 66 H VAL 12 HN VAL 12 -0.362 1.268 -17.297 67 HA VAL 12 HA VAL 12 -0.295 0.554 -20.029 68 HB VAL 12 HB VAL 12 -2.433 -0.689 -19.495 69 HG11 VAL 12 1HG1 VAL 12 0.020 -1.106 -17.797 70 HG12 VAL 12 2HG1 VAL 12 -1.288 -2.281 -17.944 71 HG13 VAL 12 3HG1 VAL 12 -0.340 -1.834 -19.363 72 HG21 VAL 12 3HG2 VAL 12 -2.019 0.781 -16.939 73 HG22 VAL 12 1HG2 VAL 12 -3.514 0.391 -17.790 74 HG23 VAL 12 2HG2 VAL 12 -2.669 -0.858 -16.875 75 H VAL 13 HN VAL 13 -2.801 2.256 -18.145 76 HA VAL 13 HA VAL 13 -4.479 2.839 -20.318 77 HB VAL 13 HB VAL 13 -4.164 4.417 -17.760 78 HG11 VAL 13 1HG1 VAL 13 -6.516 5.077 -18.205 79 HG12 VAL 13 2HG1 VAL 13 -5.375 5.689 -19.404 80 HG13 VAL 13 3HG1 VAL 13 -6.396 4.301 -19.784 81 HG21 VAL 13 3HG2 VAL 13 -4.935 1.772 -18.051 82 HG22 VAL 13 1HG2 VAL 13 -5.259 2.813 -16.665 83 HG23 VAL 13 2HG2 VAL 13 -6.459 2.653 -17.947 84 H GLY 14 HN GLY 14 -1.791 4.638 -18.887 85 HA2 GLY 14 1HA GLY 14 -2.131 7.017 -20.367 86 HA3 GLY 14 2HA GLY 14 -0.636 6.485 -19.611 87 H GLY 15 HN GLY 15 -0.532 3.986 -21.130 88 HA2 GLY 15 1HA GLY 15 0.900 4.970 -23.392 89 HA3 GLY 15 2HA GLY 15 0.592 3.282 -23.012 90 H LEU 16 HN LEU 16 -2.095 3.063 -23.102 91 HA LEU 16 HA LEU 16 -2.606 3.092 -25.904 92 HB2 LEU 16 1HB LEU 16 -4.844 2.242 -25.252 93 HB3 LEU 16 2HB LEU 16 -3.500 1.314 -24.592 94 HG LEU 16 HG LEU 16 -4.141 3.192 -22.620 95 HD11 LEU 16 1HD1 LEU 16 -6.640 1.881 -23.678 96 HD12 LEU 16 2HD1 LEU 16 -6.255 3.595 -23.826 97 HD13 LEU 16 3HD1 LEU 16 -6.501 2.881 -22.232 98 HD21 LEU 16 3HD2 LEU 16 -4.729 1.254 -21.328 99 HD22 LEU 16 1HD2 LEU 16 -3.358 0.851 -22.361 100 HD23 LEU 16 2HD2 LEU 16 -4.977 0.300 -22.791 101 H GLY 17 HN GLY 17 -3.782 4.992 -23.158 102 HA2 GLY 17 1HA GLY 17 -5.695 6.485 -24.637 103 HA3 GLY 17 2HA GLY 17 -5.038 6.916 -23.065 104 H GLY 18 HN GLY 18 -2.310 7.084 -23.782 105 HA2 GLY 18 1HA GLY 18 -2.227 9.740 -24.769 106 HA3 GLY 18 2HA GLY 18 -0.837 8.707 -24.473 107 H TYR 19 HN TYR 19 -1.776 6.618 -26.294 108 HA TYR 19 HA TYR 19 -0.583 7.615 -28.678 109 HB2 TYR 19 1HB TYR 19 -0.302 5.286 -28.028 110 HB3 TYR 19 2HB TYR 19 -2.038 5.018 -28.136 111 HD1 TYR 19 HD2 TYR 19 -0.700 7.171 -30.679 112 HD2 TYR 19 HD1 TYR 19 -1.369 3.097 -29.648 113 HE1 TYR 19 HE2 TYR 19 -0.453 6.538 -33.042 114 HE2 TYR 19 HE1 TYR 19 -1.123 2.453 -32.008 115 HH TYR 19 HH TYR 19 0.129 3.526 -34.087 116 H MET 20 HN MET 20 -3.847 6.290 -28.093 117 HA MET 20 HA MET 20 -4.977 6.936 -30.527 118 HB2 MET 20 1HB MET 20 -7.162 7.051 -29.205 119 HB3 MET 20 2HB MET 20 -6.243 5.555 -29.104 120 HG2 MET 20 1HG MET 20 -5.224 6.604 -26.975 121 HG3 MET 20 2HG MET 20 -6.614 7.684 -27.044 122 HE1 MET 20 3HE MET 20 -5.667 4.189 -27.775 123 HE2 MET 20 1HE MET 20 -6.448 3.211 -26.532 124 HE3 MET 20 2HE MET 20 -7.310 3.596 -28.022 125 H LEU 21 HN LEU 21 -5.319 8.852 -27.533 126 HA LEU 21 HA LEU 21 -6.485 11.084 -28.774 127 HB2 LEU 21 1HB LEU 21 -5.725 10.319 -26.171 128 HB3 LEU 21 2HB LEU 21 -4.954 11.872 -26.486 129 HG LEU 21 HG LEU 21 -7.042 12.262 -25.384 130 HD11 LEU 21 1HD1 LEU 21 -7.845 13.906 -26.757 131 HD12 LEU 21 2HD1 LEU 21 -7.762 12.897 -28.201 132 HD13 LEU 21 3HD1 LEU 21 -6.288 13.589 -27.524 133 HD21 LEU 21 3HD2 LEU 21 -8.860 11.307 -27.417 134 HD22 LEU 21 1HD2 LEU 21 -8.864 11.021 -25.676 135 HD23 LEU 21 2HD2 LEU 21 -7.903 9.991 -26.737 136 H GLY 22 HN GLY 22 -3.190 10.053 -28.503 137 HA2 GLY 22 1HA GLY 22 -1.982 12.597 -28.990 138 HA3 GLY 22 2HA GLY 22 -1.198 11.030 -29.128 139 H SER 23 HN SER 23 -2.468 9.750 -31.081 140 HA SER 23 HA SER 23 -1.590 11.143 -33.420 141 HB2 SER 23 1HB SER 23 -1.317 9.007 -34.048 142 HB3 SER 23 2HB SER 23 -2.315 8.435 -32.711 143 HG SER 23 HG SER 23 -3.598 7.894 -34.304 144 H ALA 24 HN ALA 24 -4.650 10.586 -31.860 145 HA ALA 24 HA ALA 24 -6.347 11.168 -34.042 146 HB1 ALA 24 1HB ALA 24 -8.102 11.390 -32.421 147 HB2 ALA 24 2HB ALA 24 -7.061 10.049 -31.941 148 HB3 ALA 24 3HB ALA 24 -6.933 11.603 -31.117 149 H MET 25 HN MET 25 -4.983 13.201 -31.472 150 HA MET 25 HA MET 25 -6.246 15.584 -32.474 151 HB2 MET 25 1HB MET 25 -5.931 15.755 -30.199 152 HB3 MET 25 2HB MET 25 -4.381 14.926 -30.242 153 HG2 MET 25 1HG MET 25 -3.290 16.876 -31.096 154 HG3 MET 25 2HG MET 25 -4.831 17.709 -31.287 155 HE1 MET 25 3HE MET 25 -3.980 15.614 -27.785 156 HE2 MET 25 1HE MET 25 -2.646 15.794 -28.924 157 HE3 MET 25 2HE MET 25 -2.645 16.705 -27.414 158 H SER 26 HN SER 26 -3.231 13.933 -32.932 159 HA SER 26 HA SER 26 -1.785 16.156 -33.991 160 HB2 SER 26 1HB SER 26 -1.352 13.203 -33.838 161 HB3 SER 26 2HB SER 26 -0.384 14.135 -34.980 162 HG SER 26 HG SER 26 -0.564 14.486 -32.173 163 H ARG 27 HN ARG 27 -3.882 13.695 -35.324 164 HA ARG 27 HA ARG 27 -4.068 15.174 -37.803 165 HB2 ARG 27 1HB ARG 27 -3.643 13.080 -39.164 166 HB3 ARG 27 2HB ARG 27 -2.226 13.820 -38.432 167 HG2 ARG 27 1HG ARG 27 -3.616 11.664 -36.935 168 HG3 ARG 27 2HG ARG 27 -2.636 11.224 -38.334 169 HD2 ARG 27 1HD ARG 27 -0.967 12.933 -37.062 170 HD3 ARG 27 2HD ARG 27 -1.827 12.234 -35.691 171 HE ARG 27 HE ARG 27 -0.751 10.246 -36.069 172 HH11 ARG 27 1HH1 ARG 27 -0.365 12.310 -38.845 173 HH12 ARG 27 2HH1 ARG 27 0.788 11.274 -39.618 174 HH21 ARG 27 1HH2 ARG 27 0.766 8.873 -37.077 175 HH22 ARG 27 2HH2 ARG 27 1.430 9.318 -38.612 Start of MODEL 18 1 H1 LYS 1 HN LYS 1 1.661 1.023 0.711 2 HA LYS 1 HA LYS 1 2.738 0.564 -1.298 3 HB2 LYS 1 1HB LYS 1 2.376 -2.002 -1.733 4 HB3 LYS 1 2HB LYS 1 3.201 -1.451 -0.281 5 HG2 LYS 1 1HG LYS 1 1.618 -3.200 0.251 6 HG3 LYS 1 2HG LYS 1 1.117 -1.675 0.984 7 HD2 LYS 1 1HD LYS 1 -0.793 -2.825 0.011 8 HD3 LYS 1 2HD LYS 1 -0.468 -1.322 -0.856 9 HE2 LYS 1 1HE LYS 1 -0.254 -2.439 -2.763 10 HE3 LYS 1 2HE LYS 1 1.025 -3.432 -2.066 11 HZ1 LYS 1 3HZ LYS 1 -1.500 -4.278 -1.113 12 HZ2 LYS 1 1HZ LYS 1 -0.344 -5.153 -1.987 13 HZ3 LYS 1 2HZ LYS 1 -1.513 -4.243 -2.804 14 H HIS 2 HN HIS 2 -0.136 1.477 -1.602 15 HA HIS 2 HA HIS 2 -1.200 0.036 -3.830 16 HB2 HIS 2 1HB HIS 2 -2.907 1.702 -3.894 17 HB3 HIS 2 2HB HIS 2 -2.546 1.414 -2.195 18 HD1 HIS 2 HD1 HIS 2 0.119 3.267 -2.368 19 HD2 HIS 2 HD2 HIS 2 -3.780 4.310 -3.353 20 HE1 HIS 2 HE1 HIS 2 0.025 5.772 -2.177 21 H MET 3 HN MET 3 1.479 1.870 -3.629 22 HA MET 3 HA MET 3 1.281 3.605 -5.850 23 HB2 MET 3 1HB MET 3 3.819 3.491 -5.789 24 HB3 MET 3 2HB MET 3 3.028 4.033 -4.315 25 HG2 MET 3 1HG MET 3 4.176 2.503 -3.213 26 HG3 MET 3 2HG MET 3 3.245 1.267 -4.055 27 HE1 MET 3 3HE MET 3 3.986 -0.361 -5.164 28 HE2 MET 3 1HE MET 3 5.449 -0.558 -6.130 29 HE3 MET 3 2HE MET 3 5.516 -0.755 -4.378 30 H ALA 4 HN ALA 4 2.061 0.213 -5.530 31 HA ALA 4 HA ALA 4 3.143 -0.119 -8.146 32 HB1 ALA 4 1HB ALA 4 3.813 -1.798 -6.723 33 HB2 ALA 4 2HB ALA 4 2.215 -1.967 -5.995 34 HB3 ALA 4 3HB ALA 4 2.518 -2.596 -7.614 35 H GLY 5 HN GLY 5 -0.077 -0.452 -6.739 36 HA2 GLY 5 1HA GLY 5 -1.271 -1.587 -9.072 37 HA3 GLY 5 2HA GLY 5 -2.124 -0.892 -7.702 38 H ALA 6 HN ALA 6 -1.228 1.702 -7.723 39 HA ALA 6 HA ALA 6 -2.823 2.840 -9.769 40 HB1 ALA 6 1HB ALA 6 -1.540 3.724 -7.384 41 HB2 ALA 6 2HB ALA 6 -1.132 4.833 -8.694 42 HB3 ALA 6 3HB ALA 6 -2.822 4.508 -8.308 43 H ALA 7 HN ALA 7 0.647 2.401 -9.368 44 HA ALA 7 HA ALA 7 1.409 4.010 -11.590 45 HB1 ALA 7 1HB ALA 7 3.608 3.123 -11.280 46 HB2 ALA 7 2HB ALA 7 2.904 3.407 -9.687 47 HB3 ALA 7 3HB ALA 7 2.985 1.769 -10.336 48 H ALA 8 HN ALA 8 0.806 0.553 -11.147 49 HA ALA 8 HA ALA 8 1.631 -0.257 -13.726 50 HB1 ALA 8 1HB ALA 8 1.307 -1.742 -11.723 51 HB2 ALA 8 2HB ALA 8 -0.429 -1.640 -12.022 52 HB3 ALA 8 3HB ALA 8 0.635 -2.354 -13.235 53 H ALA 9 HN ALA 9 -1.569 0.528 -12.393 54 HA ALA 9 HA ALA 9 -2.972 0.065 -14.821 55 HB1 ALA 9 1HB ALA 9 -3.818 0.235 -12.341 56 HB2 ALA 9 2HB ALA 9 -4.033 1.935 -12.760 57 HB3 ALA 9 3HB ALA 9 -4.864 0.687 -13.687 58 H GLY 10 HN GLY 10 -1.505 2.911 -13.344 59 HA2 GLY 10 1HA GLY 10 -2.590 4.774 -15.221 60 HA3 GLY 10 2HA GLY 10 -1.266 5.073 -14.105 61 H ALA 11 HN ALA 11 0.404 2.927 -15.037 62 HA ALA 11 HA ALA 11 1.711 4.278 -17.170 63 HB1 ALA 11 1HB ALA 11 3.162 2.183 -17.170 64 HB2 ALA 11 2HB ALA 11 3.116 3.131 -15.683 65 HB3 ALA 11 3HB ALA 11 2.178 1.642 -15.810 66 H VAL 12 HN VAL 12 -0.198 1.299 -16.971 67 HA VAL 12 HA VAL 12 0.146 0.514 -19.662 68 HB VAL 12 HB VAL 12 -1.963 -0.828 -19.275 69 HG11 VAL 12 1HG1 VAL 12 0.347 -1.065 -17.355 70 HG12 VAL 12 2HG1 VAL 12 -0.880 -2.313 -17.583 71 HG13 VAL 12 3HG1 VAL 12 0.168 -1.851 -18.924 72 HG21 VAL 12 3HG2 VAL 12 -2.420 -0.935 -16.681 73 HG22 VAL 12 1HG2 VAL 12 -1.853 0.734 -16.744 74 HG23 VAL 12 2HG2 VAL 12 -3.247 0.239 -17.705 75 H VAL 13 HN VAL 13 -2.600 2.130 -18.058 76 HA VAL 13 HA VAL 13 -4.109 2.560 -20.385 77 HB VAL 13 HB VAL 13 -4.100 4.222 -17.861 78 HG11 VAL 13 1HG1 VAL 13 -5.991 4.024 -20.183 79 HG12 VAL 13 2HG1 VAL 13 -6.529 4.577 -18.596 80 HG13 VAL 13 3HG1 VAL 13 -5.272 5.463 -19.460 81 HG21 VAL 13 3HG2 VAL 13 -6.277 2.335 -18.190 82 HG22 VAL 13 1HG2 VAL 13 -4.707 1.535 -18.133 83 HG23 VAL 13 2HG2 VAL 13 -5.206 2.593 -16.813 84 H GLY 14 HN GLY 14 -1.653 4.541 -18.787 85 HA2 GLY 14 1HA GLY 14 -1.983 6.855 -20.368 86 HA3 GLY 14 2HA GLY 14 -0.535 6.427 -19.469 87 H GLY 15 HN GLY 15 -0.170 3.895 -20.892 88 HA2 GLY 15 1HA GLY 15 1.402 4.891 -23.052 89 HA3 GLY 15 2HA GLY 15 1.148 3.200 -22.647 90 H LEU 16 HN LEU 16 -1.505 2.835 -22.960 91 HA LEU 16 HA LEU 16 -1.770 2.758 -25.795 92 HB2 LEU 16 1HB LEU 16 -4.012 1.810 -25.310 93 HB3 LEU 16 2HB LEU 16 -2.684 0.971 -24.510 94 HG LEU 16 HG LEU 16 -3.587 2.866 -22.660 95 HD11 LEU 16 1HD1 LEU 16 -5.914 1.391 -23.882 96 HD12 LEU 16 2HD1 LEU 16 -5.609 3.119 -24.050 97 HD13 LEU 16 3HD1 LEU 16 -5.953 2.435 -22.461 98 HD21 LEU 16 3HD2 LEU 16 -2.708 0.578 -22.262 99 HD22 LEU 16 1HD2 LEU 16 -4.255 -0.070 -22.806 100 HD23 LEU 16 2HD2 LEU 16 -4.181 0.935 -21.359 101 H GLY 17 HN GLY 17 -3.278 4.667 -23.224 102 HA2 GLY 17 1HA GLY 17 -5.127 6.014 -24.909 103 HA3 GLY 17 2HA GLY 17 -4.634 6.523 -23.301 104 H GLY 18 HN GLY 18 -1.864 6.814 -23.789 105 HA2 GLY 18 1HA GLY 18 -1.830 9.444 -24.847 106 HA3 GLY 18 2HA GLY 18 -0.420 8.494 -24.402 107 H TYR 19 HN TYR 19 -1.089 6.310 -26.230 108 HA TYR 19 HA TYR 19 0.251 7.307 -28.535 109 HB2 TYR 19 1HB TYR 19 0.595 5.015 -27.790 110 HB3 TYR 19 2HB TYR 19 -1.109 4.650 -28.037 111 HD1 TYR 19 HD2 TYR 19 0.328 6.804 -30.523 112 HD2 TYR 19 HD1 TYR 19 -0.211 2.729 -29.425 113 HE1 TYR 19 HE2 TYR 19 0.811 6.123 -32.837 114 HE2 TYR 19 HE1 TYR 19 0.272 2.036 -31.735 115 HH TYR 19 HH TYR 19 0.820 4.424 -34.292 116 H MET 20 HN MET 20 -2.978 5.822 -28.187 117 HA MET 20 HA MET 20 -3.926 6.342 -30.727 118 HB2 MET 20 1HB MET 20 -6.220 6.368 -29.600 119 HB3 MET 20 2HB MET 20 -5.234 4.930 -29.375 120 HG2 MET 20 1HG MET 20 -4.461 6.090 -27.200 121 HG3 MET 20 2HG MET 20 -5.897 7.087 -27.421 122 HE1 MET 20 3HE MET 20 -6.283 2.942 -28.327 123 HE2 MET 20 1HE MET 20 -4.702 3.632 -27.958 124 HE3 MET 20 2HE MET 20 -5.536 2.646 -26.756 125 H LEU 21 HN LEU 21 -4.625 8.311 -27.831 126 HA LEU 21 HA LEU 21 -5.796 10.443 -29.234 127 HB2 LEU 21 1HB LEU 21 -5.261 9.782 -26.559 128 HB3 LEU 21 2HB LEU 21 -4.496 11.345 -26.835 129 HG LEU 21 HG LEU 21 -6.657 11.777 -25.970 130 HD11 LEU 21 1HD1 LEU 21 -7.114 12.119 -28.907 131 HD12 LEU 21 2HD1 LEU 21 -5.837 13.013 -28.083 132 HD13 LEU 21 3HD1 LEU 21 -7.516 13.207 -27.578 133 HD21 LEU 21 3HD2 LEU 21 -7.397 9.474 -27.599 134 HD22 LEU 21 1HD2 LEU 21 -8.549 10.805 -27.701 135 HD23 LEU 21 2HD2 LEU 21 -8.139 10.113 -26.132 136 H GLY 22 HN GLY 22 -2.488 9.600 -28.655 137 HA2 GLY 22 1HA GLY 22 -1.376 12.194 -29.108 138 HA3 GLY 22 2HA GLY 22 -0.503 10.669 -29.135 139 H SER 23 HN SER 23 -1.532 9.276 -31.153 140 HA SER 23 HA SER 23 -0.530 10.662 -33.447 141 HB2 SER 23 1HB SER 23 -0.087 8.530 -33.987 142 HB3 SER 23 2HB SER 23 -1.166 7.934 -32.726 143 HG SER 23 HG SER 23 -2.647 7.584 -34.177 144 H ALA 24 HN ALA 24 -3.679 9.959 -32.140 145 HA ALA 24 HA ALA 24 -5.208 10.400 -34.475 146 HB1 ALA 24 1HB ALA 24 -6.038 9.279 -32.418 147 HB2 ALA 24 2HB ALA 24 -6.075 10.854 -31.625 148 HB3 ALA 24 3HB ALA 24 -7.109 10.545 -33.019 149 H MET 25 HN MET 25 -4.194 12.556 -31.845 150 HA MET 25 HA MET 25 -5.498 14.842 -33.008 151 HB2 MET 25 1HB MET 25 -5.373 14.962 -30.680 152 HB3 MET 25 2HB MET 25 -3.707 14.402 -30.643 153 HG2 MET 25 1HG MET 25 -4.195 16.965 -32.017 154 HG3 MET 25 2HG MET 25 -4.422 16.950 -30.270 155 HE1 MET 25 3HE MET 25 -1.179 15.007 -29.373 156 HE2 MET 25 1HE MET 25 -1.674 16.479 -28.538 157 HE3 MET 25 2HE MET 25 -2.883 15.288 -29.014 158 H SER 26 HN SER 26 -2.360 13.368 -33.157 159 HA SER 26 HA SER 26 -0.960 15.651 -34.144 160 HB2 SER 26 1HB SER 26 0.474 14.079 -33.202 161 HB3 SER 26 2HB SER 26 -0.364 12.718 -33.947 162 HG SER 26 HG SER 26 0.752 12.990 -35.741 163 H ARG 27 HN ARG 27 -2.783 13.042 -35.592 164 HA ARG 27 HA ARG 27 -3.503 12.661 -37.715 165 HB2 ARG 27 1HB ARG 27 -2.720 15.523 -38.279 166 HB3 ARG 27 2HB ARG 27 -3.900 14.550 -39.147 167 HG2 ARG 27 1HG ARG 27 -4.179 15.356 -36.262 168 HG3 ARG 27 2HG ARG 27 -4.883 16.242 -37.616 169 HD2 ARG 27 1HD ARG 27 -6.145 14.240 -38.257 170 HD3 ARG 27 2HD ARG 27 -5.448 13.369 -36.891 171 HE ARG 27 HE ARG 27 -6.608 15.527 -35.736 172 HH11 ARG 27 1HH1 ARG 27 -7.739 13.076 -37.935 173 HH12 ARG 27 2HH1 ARG 27 -9.372 13.127 -37.358 174 HH21 ARG 27 1HH2 ARG 27 -8.755 15.603 -34.968 175 HH22 ARG 27 2HH2 ARG 27 -9.949 14.566 -35.671 Start of MODEL 19 1 H1 LYS 1 HN LYS 1 0.958 0.196 0.807 2 HA LYS 1 HA LYS 1 2.524 0.681 -1.316 3 HB2 LYS 1 1HB LYS 1 2.656 -1.654 -1.730 4 HB3 LYS 1 2HB LYS 1 2.342 -1.475 -0.008 5 HG2 LYS 1 1HG LYS 1 -0.148 -1.756 -0.711 6 HG3 LYS 1 2HG LYS 1 0.544 -2.474 -2.167 7 HD2 LYS 1 1HD LYS 1 1.682 -3.426 0.377 8 HD3 LYS 1 2HD LYS 1 -0.008 -3.852 0.097 9 HE2 LYS 1 1HE LYS 1 0.622 -4.788 -2.095 10 HE3 LYS 1 2HE LYS 1 2.309 -4.410 -1.753 11 HZ1 LYS 1 3HZ LYS 1 2.209 -6.575 -1.088 12 HZ2 LYS 1 1HZ LYS 1 0.596 -6.481 -0.584 13 HZ3 LYS 1 2HZ LYS 1 1.822 -5.818 0.374 14 H HIS 2 HN HIS 2 -0.126 1.917 -1.710 15 HA HIS 2 HA HIS 2 -1.347 0.675 -3.977 16 HB2 HIS 2 1HB HIS 2 -1.627 3.402 -2.718 17 HB3 HIS 2 2HB HIS 2 -2.519 2.934 -4.164 18 HD1 HIS 2 HD1 HIS 2 -3.588 3.545 -1.135 19 HD2 HIS 2 HD2 HIS 2 -3.347 -0.114 -3.090 20 HE1 HIS 2 HE1 HIS 2 -5.269 2.061 0.005 21 H MET 3 HN MET 3 1.573 2.084 -3.699 22 HA MET 3 HA MET 3 1.674 3.840 -5.916 23 HB2 MET 3 1HB MET 3 3.408 4.002 -4.296 24 HB3 MET 3 2HB MET 3 3.796 2.293 -4.436 25 HG2 MET 3 1HG MET 3 4.100 3.403 -7.003 26 HG3 MET 3 2HG MET 3 4.870 4.511 -5.869 27 HE1 MET 3 3HE MET 3 4.811 0.715 -7.141 28 HE2 MET 3 1HE MET 3 5.906 0.020 -5.945 29 HE3 MET 3 2HE MET 3 4.365 0.709 -5.434 30 H ALA 4 HN ALA 4 2.187 0.373 -5.557 31 HA ALA 4 HA ALA 4 3.159 -0.048 -8.202 32 HB1 ALA 4 1HB ALA 4 3.183 -2.309 -7.694 33 HB2 ALA 4 2HB ALA 4 3.387 -1.555 -6.112 34 HB3 ALA 4 3HB ALA 4 1.810 -2.181 -6.595 35 H GLY 5 HN GLY 5 -0.029 -0.173 -6.692 36 HA2 GLY 5 1HA GLY 5 -1.366 -1.273 -8.959 37 HA3 GLY 5 2HA GLY 5 -2.128 -0.489 -7.583 38 H ALA 6 HN ALA 6 -1.078 2.039 -7.694 39 HA ALA 6 HA ALA 6 -2.651 3.225 -9.731 40 HB1 ALA 6 1HB ALA 6 -1.258 4.084 -7.398 41 HB2 ALA 6 2HB ALA 6 -0.820 5.137 -8.744 42 HB3 ALA 6 3HB ALA 6 -2.515 4.921 -8.309 43 H ALA 7 HN ALA 7 0.793 2.580 -9.398 44 HA ALA 7 HA ALA 7 1.604 4.092 -11.670 45 HB1 ALA 7 1HB ALA 7 3.747 3.075 -11.390 46 HB2 ALA 7 2HB ALA 7 3.099 3.424 -9.786 47 HB3 ALA 7 3HB ALA 7 3.062 1.776 -10.413 48 H ALA 8 HN ALA 8 0.789 0.691 -11.144 49 HA ALA 8 HA ALA 8 1.496 -0.218 -13.726 50 HB1 ALA 8 1HB ALA 8 1.131 -1.642 -11.686 51 HB2 ALA 8 2HB ALA 8 -0.602 -1.436 -11.945 52 HB3 ALA 8 3HB ALA 8 0.384 -2.238 -13.168 53 H ALA 9 HN ALA 9 -1.614 0.788 -12.330 54 HA ALA 9 HA ALA 9 -3.108 0.371 -14.709 55 HB1 ALA 9 1HB ALA 9 -4.276 0.378 -12.637 56 HB2 ALA 9 2HB ALA 9 -3.678 1.988 -12.234 57 HB3 ALA 9 3HB ALA 9 -4.831 1.780 -13.553 58 H GLY 10 HN GLY 10 -1.416 3.145 -13.341 59 HA2 GLY 10 1HA GLY 10 -2.428 5.032 -15.236 60 HA3 GLY 10 2HA GLY 10 -1.061 5.271 -14.158 61 H ALA 11 HN ALA 11 0.446 3.002 -15.074 62 HA ALA 11 HA ALA 11 1.785 4.216 -17.269 63 HB1 ALA 11 1HB ALA 11 2.129 1.457 -16.099 64 HB2 ALA 11 2HB ALA 11 3.246 2.258 -17.205 65 HB3 ALA 11 3HB ALA 11 2.982 2.915 -15.590 66 H VAL 12 HN VAL 12 -0.300 1.366 -16.955 67 HA VAL 12 HA VAL 12 -0.075 0.506 -19.636 68 HB VAL 12 HB VAL 12 -2.258 -0.690 -19.164 69 HG11 VAL 12 1HG1 VAL 12 -0.185 -1.842 -18.866 70 HG12 VAL 12 2HG1 VAL 12 0.095 -1.048 -17.315 71 HG13 VAL 12 3HG1 VAL 12 -1.215 -2.217 -17.485 72 HG21 VAL 12 3HG2 VAL 12 -3.447 0.396 -17.563 73 HG22 VAL 12 1HG2 VAL 12 -2.555 -0.703 -16.510 74 HG23 VAL 12 2HG2 VAL 12 -2.005 0.959 -16.717 75 H VAL 13 HN VAL 13 -2.675 2.319 -17.999 76 HA VAL 13 HA VAL 13 -4.219 2.793 -20.294 77 HB VAL 13 HB VAL 13 -4.034 4.496 -17.805 78 HG11 VAL 13 1HG1 VAL 13 -5.593 4.721 -20.239 79 HG12 VAL 13 2HG1 VAL 13 -6.612 4.613 -18.803 80 HG13 VAL 13 3HG1 VAL 13 -5.384 5.874 -18.921 81 HG21 VAL 13 3HG2 VAL 13 -6.096 2.391 -18.385 82 HG22 VAL 13 1HG2 VAL 13 -4.590 2.017 -17.546 83 HG23 VAL 13 2HG2 VAL 13 -5.723 3.176 -16.851 84 H GLY 14 HN GLY 14 -1.601 4.652 -18.812 85 HA2 GLY 14 1HA GLY 14 -1.832 6.946 -20.440 86 HA3 GLY 14 2HA GLY 14 -0.389 6.449 -19.569 87 H GLY 15 HN GLY 15 -0.218 3.868 -20.937 88 HA2 GLY 15 1HA GLY 15 1.351 4.715 -23.163 89 HA3 GLY 15 2HA GLY 15 1.005 3.053 -22.709 90 H LEU 16 HN LEU 16 -1.674 2.845 -22.942 91 HA LEU 16 HA LEU 16 -2.022 2.718 -25.766 92 HB2 LEU 16 1HB LEU 16 -4.302 1.921 -25.199 93 HB3 LEU 16 2HB LEU 16 -3.006 1.022 -24.411 94 HG LEU 16 HG LEU 16 -3.743 3.013 -22.589 95 HD11 LEU 16 1HD1 LEU 16 -6.125 2.732 -22.322 96 HD12 LEU 16 2HD1 LEU 16 -6.187 1.658 -23.718 97 HD13 LEU 16 3HD1 LEU 16 -5.780 3.360 -23.933 98 HD21 LEU 16 3HD2 LEU 16 -2.996 0.688 -22.151 99 HD22 LEU 16 1HD2 LEU 16 -4.591 0.121 -22.645 100 HD23 LEU 16 2HD2 LEU 16 -4.425 1.154 -21.226 101 H GLY 17 HN GLY 17 -3.336 4.777 -23.205 102 HA2 GLY 17 1HA GLY 17 -5.147 6.195 -24.874 103 HA3 GLY 17 2HA GLY 17 -4.578 6.711 -23.293 104 H GLY 18 HN GLY 18 -1.812 6.822 -23.858 105 HA2 GLY 18 1HA GLY 18 -1.648 9.418 -24.986 106 HA3 GLY 18 2HA GLY 18 -0.287 8.395 -24.551 107 H TYR 19 HN TYR 19 -1.137 6.211 -26.304 108 HA TYR 19 HA TYR 19 0.202 7.065 -28.666 109 HB2 TYR 19 1HB TYR 19 0.423 4.775 -27.870 110 HB3 TYR 19 2HB TYR 19 -1.307 4.512 -28.065 111 HD1 TYR 19 HD1 TYR 19 0.197 6.510 -30.642 112 HD2 TYR 19 HD2 TYR 19 -0.572 2.506 -29.426 113 HE1 TYR 19 HE1 TYR 19 0.576 5.744 -32.948 114 HE2 TYR 19 HE2 TYR 19 -0.193 1.728 -31.728 115 HH TYR 19 HH TYR 19 -0.349 3.449 -34.299 116 H MET 20 HN MET 20 -3.103 5.795 -28.199 117 HA MET 20 HA MET 20 -4.084 6.309 -30.728 118 HB2 MET 20 1HB MET 20 -6.341 6.511 -29.545 119 HB3 MET 20 2HB MET 20 -5.443 5.019 -29.306 120 HG2 MET 20 1HG MET 20 -4.540 6.181 -27.184 121 HG3 MET 20 2HG MET 20 -5.914 7.263 -27.394 122 HE1 MET 20 3HE MET 20 -6.589 3.133 -28.184 123 HE2 MET 20 1HE MET 20 -4.957 3.725 -27.869 124 HE3 MET 20 2HE MET 20 -5.823 2.824 -26.625 125 H LEU 21 HN LEU 21 -4.582 8.393 -27.871 126 HA LEU 21 HA LEU 21 -5.653 10.558 -29.302 127 HB2 LEU 21 1HB LEU 21 -5.052 9.938 -26.619 128 HB3 LEU 21 2HB LEU 21 -4.251 11.466 -26.976 129 HG LEU 21 HG LEU 21 -6.422 12.398 -27.700 130 HD11 LEU 21 1HD1 LEU 21 -7.614 10.478 -28.409 131 HD12 LEU 21 2HD1 LEU 21 -8.469 11.113 -27.004 132 HD13 LEU 21 3HD1 LEU 21 -7.430 9.698 -26.838 133 HD21 LEU 21 3HD2 LEU 21 -5.515 12.516 -25.330 134 HD22 LEU 21 1HD2 LEU 21 -6.669 11.241 -24.937 135 HD23 LEU 21 2HD2 LEU 21 -7.245 12.799 -25.531 136 H GLY 22 HN GLY 22 -2.389 9.525 -28.780 137 HA2 GLY 22 1HA GLY 22 -1.131 12.030 -29.338 138 HA3 GLY 22 2HA GLY 22 -0.355 10.453 -29.341 139 H SER 23 HN SER 23 -1.521 9.072 -31.291 140 HA SER 23 HA SER 23 -0.495 10.326 -33.649 141 HB2 SER 23 1HB SER 23 -1.214 7.671 -32.825 142 HB3 SER 23 2HB SER 23 -1.991 8.028 -34.367 143 HG SER 23 HG SER 23 0.180 8.780 -35.025 144 H ALA 24 HN ALA 24 -3.646 9.874 -32.242 145 HA ALA 24 HA ALA 24 -5.208 10.344 -34.549 146 HB1 ALA 24 1HB ALA 24 -5.958 10.946 -31.693 147 HB2 ALA 24 2HB ALA 24 -7.052 10.667 -33.048 148 HB3 ALA 24 3HB ALA 24 -6.053 9.349 -32.435 149 H MET 25 HN MET 25 -3.977 12.509 -32.022 150 HA MET 25 HA MET 25 -5.157 14.840 -33.228 151 HB2 MET 25 1HB MET 25 -4.972 15.141 -30.953 152 HB3 MET 25 2HB MET 25 -3.433 14.296 -30.857 153 HG2 MET 25 1HG MET 25 -2.275 16.188 -31.777 154 HG3 MET 25 2HG MET 25 -3.799 17.026 -32.063 155 HE1 MET 25 3HE MET 25 -5.039 17.885 -28.510 156 HE2 MET 25 1HE MET 25 -5.430 17.721 -30.222 157 HE3 MET 25 2HE MET 25 -5.368 16.291 -29.191 158 H SER 26 HN SER 26 -2.136 13.147 -33.418 159 HA SER 26 HA SER 26 -0.609 15.297 -34.512 160 HB2 SER 26 1HB SER 26 -0.217 12.359 -34.157 161 HB3 SER 26 2HB SER 26 0.815 13.202 -35.312 162 HG SER 26 HG SER 26 1.050 14.746 -33.398 163 H ARG 27 HN ARG 27 -2.650 12.780 -35.828 164 HA ARG 27 HA ARG 27 -3.481 12.413 -37.913 165 HB2 ARG 27 1HB ARG 27 -2.429 15.137 -38.666 166 HB3 ARG 27 2HB ARG 27 -3.779 14.266 -39.380 167 HG2 ARG 27 1HG ARG 27 -3.721 15.297 -36.553 168 HG3 ARG 27 2HG ARG 27 -4.460 16.139 -37.916 169 HD2 ARG 27 1HD ARG 27 -6.024 14.339 -38.244 170 HD3 ARG 27 2HD ARG 27 -5.220 13.365 -37.014 171 HE ARG 27 HE ARG 27 -5.976 15.687 -35.747 172 HH11 ARG 27 1HH1 ARG 27 -7.571 13.119 -37.473 173 HH12 ARG 27 2HH1 ARG 27 -9.046 13.255 -36.576 174 HH21 ARG 27 1HH2 ARG 27 -7.913 15.877 -34.558 175 HH22 ARG 27 2HH2 ARG 27 -9.240 14.825 -34.918 Start of MODEL 20 1 H1 LYS 1 HN LYS 1 1.533 -0.786 0.800 2 HA LYS 1 HA LYS 1 2.307 1.040 -0.938 3 HB2 LYS 1 1HB LYS 1 3.486 -0.717 -2.267 4 HB3 LYS 1 2HB LYS 1 3.702 -0.871 -0.529 5 HG2 LYS 1 1HG LYS 1 2.609 -2.839 -0.428 6 HG3 LYS 1 2HG LYS 1 1.460 -2.391 -1.691 7 HD2 LYS 1 1HD LYS 1 3.659 -2.540 -3.186 8 HD3 LYS 1 2HD LYS 1 4.132 -3.663 -1.909 9 HE2 LYS 1 1HE LYS 1 1.510 -3.844 -3.377 10 HE3 LYS 1 2HE LYS 1 2.969 -4.683 -3.904 11 HZ1 LYS 1 3HZ LYS 1 1.695 -6.182 -2.601 12 HZ2 LYS 1 1HZ LYS 1 1.507 -5.058 -1.350 13 HZ3 LYS 1 2HZ LYS 1 3.028 -5.729 -1.662 14 H HIS 2 HN HIS 2 -0.061 1.650 -1.538 15 HA HIS 2 HA HIS 2 -1.237 0.264 -3.745 16 HB2 HIS 2 1HB HIS 2 -1.768 2.888 -2.382 17 HB3 HIS 2 2HB HIS 2 -2.587 2.481 -3.887 18 HD1 HIS 2 HD1 HIS 2 -4.672 2.719 -2.074 19 HD2 HIS 2 HD2 HIS 2 -2.290 -0.678 -1.869 20 HE1 HIS 2 HE1 HIS 2 -6.026 1.025 -0.802 21 H MET 3 HN MET 3 1.521 1.982 -3.602 22 HA MET 3 HA MET 3 1.344 3.734 -5.811 23 HB2 MET 3 1HB MET 3 3.875 3.514 -5.812 24 HB3 MET 3 2HB MET 3 3.143 4.080 -4.316 25 HG2 MET 3 1HG MET 3 4.254 2.498 -3.250 26 HG3 MET 3 2HG MET 3 3.249 1.307 -4.072 27 HE1 MET 3 3HE MET 3 3.891 -0.346 -5.201 28 HE2 MET 3 1HE MET 3 5.314 -0.600 -6.212 29 HE3 MET 3 2HE MET 3 5.425 -0.810 -4.465 30 H ALA 4 HN ALA 4 1.985 0.311 -5.523 31 HA ALA 4 HA ALA 4 2.991 -0.055 -8.164 32 HB1 ALA 4 1HB ALA 4 2.267 -2.506 -7.625 33 HB2 ALA 4 2HB ALA 4 3.622 -1.770 -6.769 34 HB3 ALA 4 3HB ALA 4 2.040 -1.869 -5.996 35 H GLY 5 HN GLY 5 -0.207 -0.257 -6.683 36 HA2 GLY 5 1HA GLY 5 -1.502 -1.330 -8.990 37 HA3 GLY 5 2HA GLY 5 -2.292 -0.605 -7.597 38 H ALA 6 HN ALA 6 -1.288 1.948 -7.630 39 HA ALA 6 HA ALA 6 -2.881 3.162 -9.633 40 HB1 ALA 6 1HB ALA 6 -1.081 5.077 -8.594 41 HB2 ALA 6 2HB ALA 6 -2.774 4.823 -8.168 42 HB3 ALA 6 3HB ALA 6 -1.505 3.982 -7.278 43 H ALA 7 HN ALA 7 0.576 2.574 -9.318 44 HA ALA 7 HA ALA 7 1.353 4.160 -11.551 45 HB1 ALA 7 1HB ALA 7 2.860 1.847 -10.344 46 HB2 ALA 7 2HB ALA 7 3.519 3.178 -11.296 47 HB3 ALA 7 3HB ALA 7 2.865 3.485 -9.687 48 H ALA 8 HN ALA 8 0.613 0.730 -11.107 49 HA ALA 8 HA ALA 8 1.342 -0.103 -13.708 50 HB1 ALA 8 1HB ALA 8 0.268 -2.158 -13.201 51 HB2 ALA 8 2HB ALA 8 1.001 -1.583 -11.703 52 HB3 ALA 8 3HB ALA 8 -0.734 -1.405 -11.960 53 H ALA 9 HN ALA 9 -1.789 0.811 -12.296 54 HA ALA 9 HA ALA 9 -3.268 0.420 -14.691 55 HB1 ALA 9 1HB ALA 9 -5.106 1.372 -13.547 56 HB2 ALA 9 2HB ALA 9 -4.192 0.464 -12.342 57 HB3 ALA 9 3HB ALA 9 -4.054 2.220 -12.413 58 H GLY 10 HN GLY 10 -1.647 3.194 -13.239 59 HA2 GLY 10 1HA GLY 10 -2.695 5.110 -15.083 60 HA3 GLY 10 2HA GLY 10 -1.333 5.348 -13.997 61 H ALA 11 HN ALA 11 0.221 3.136 -14.977 62 HA ALA 11 HA ALA 11 1.534 4.441 -17.136 63 HB1 ALA 11 1HB ALA 11 2.806 3.156 -15.541 64 HB2 ALA 11 2HB ALA 11 1.929 1.687 -15.973 65 HB3 ALA 11 3HB ALA 11 3.001 2.452 -17.146 66 H VAL 12 HN VAL 12 -0.496 1.545 -16.902 67 HA VAL 12 HA VAL 12 -0.249 0.759 -19.604 68 HB VAL 12 HB VAL 12 -2.405 -0.493 -19.172 69 HG11 VAL 12 1HG1 VAL 12 -1.346 -2.030 -17.510 70 HG12 VAL 12 2HG1 VAL 12 -0.312 -1.610 -18.877 71 HG13 VAL 12 3HG1 VAL 12 -0.062 -0.839 -17.310 72 HG21 VAL 12 3HG2 VAL 12 -2.168 1.049 -16.637 73 HG22 VAL 12 1HG2 VAL 12 -3.603 0.619 -17.568 74 HG23 VAL 12 2HG2 VAL 12 -2.804 -0.595 -16.568 75 H VAL 13 HN VAL 13 -2.885 2.483 -17.929 76 HA VAL 13 HA VAL 13 -4.428 2.989 -20.218 77 HB VAL 13 HB VAL 13 -4.291 4.637 -17.688 78 HG11 VAL 13 1HG1 VAL 13 -6.869 4.712 -18.667 79 HG12 VAL 13 2HG1 VAL 13 -5.668 5.998 -18.799 80 HG13 VAL 13 3HG1 VAL 13 -5.874 4.844 -20.117 81 HG21 VAL 13 3HG2 VAL 13 -5.439 3.049 -16.621 82 HG22 VAL 13 1HG2 VAL 13 -6.552 2.844 -17.974 83 HG23 VAL 13 2HG2 VAL 13 -5.016 1.976 -17.956 84 H GLY 14 HN GLY 14 -1.854 4.856 -18.669 85 HA2 GLY 14 1HA GLY 14 -2.122 7.190 -20.232 86 HA3 GLY 14 2HA GLY 14 -0.673 6.696 -19.369 87 H GLY 15 HN GLY 15 -0.450 4.159 -20.810 88 HA2 GLY 15 1HA GLY 15 1.113 5.099 -23.003 89 HA3 GLY 15 2HA GLY 15 0.798 3.418 -22.598 90 H LEU 16 HN LEU 16 -1.876 3.166 -22.851 91 HA LEU 16 HA LEU 16 -2.209 3.115 -25.679 92 HB2 LEU 16 1HB LEU 16 -4.475 2.257 -25.147 93 HB3 LEU 16 2HB LEU 16 -3.166 1.362 -24.377 94 HG LEU 16 HG LEU 16 -3.951 3.285 -22.504 95 HD11 LEU 16 1HD1 LEU 16 -5.987 3.633 -23.850 96 HD12 LEU 16 2HD1 LEU 16 -6.329 2.956 -22.259 97 HD13 LEU 16 3HD1 LEU 16 -6.364 1.918 -23.685 98 HD21 LEU 16 3HD2 LEU 16 -4.604 1.376 -21.198 99 HD22 LEU 16 1HD2 LEU 16 -3.165 0.961 -22.130 100 HD23 LEU 16 2HD2 LEU 16 -4.748 0.381 -22.648 101 H GLY 17 HN GLY 17 -3.573 5.074 -23.066 102 HA2 GLY 17 1HA GLY 17 -5.403 6.505 -24.702 103 HA3 GLY 17 2HA GLY 17 -4.852 6.984 -23.104 104 H GLY 18 HN GLY 18 -2.086 7.165 -23.649 105 HA2 GLY 18 1HA GLY 18 -1.966 9.796 -24.700 106 HA3 GLY 18 2HA GLY 18 -0.588 8.787 -24.288 107 H TYR 19 HN TYR 19 -1.389 6.640 -26.109 108 HA TYR 19 HA TYR 19 -0.055 7.588 -28.438 109 HB2 TYR 19 1HB TYR 19 0.209 5.281 -27.710 110 HB3 TYR 19 2HB TYR 19 -1.515 4.990 -27.918 111 HD1 TYR 19 HD2 TYR 19 -0.040 7.089 -30.430 112 HD2 TYR 19 HD1 TYR 19 -0.738 3.038 -29.333 113 HE1 TYR 19 HE2 TYR 19 0.360 6.397 -32.756 114 HE2 TYR 19 HE1 TYR 19 -0.339 2.334 -31.656 115 HH TYR 19 HH TYR 19 1.071 3.423 -33.691 116 H MET 20 HN MET 20 -3.336 6.241 -28.027 117 HA MET 20 HA MET 20 -4.315 6.809 -30.544 118 HB2 MET 20 1HB MET 20 -6.581 6.934 -29.368 119 HB3 MET 20 2HB MET 20 -5.655 5.453 -29.166 120 HG2 MET 20 1HG MET 20 -4.786 6.570 -27.007 121 HG3 MET 20 2HG MET 20 -6.177 7.634 -27.195 122 HE1 MET 20 3HE MET 20 -5.158 4.128 -27.763 123 HE2 MET 20 1HE MET 20 -6.016 3.176 -26.551 124 HE3 MET 20 2HE MET 20 -6.778 3.518 -28.105 125 H LEU 21 HN LEU 21 -4.861 8.801 -27.631 126 HA LEU 21 HA LEU 21 -5.973 10.985 -29.001 127 HB2 LEU 21 1HB LEU 21 -5.364 10.302 -26.338 128 HB3 LEU 21 2HB LEU 21 -4.578 11.848 -26.650 129 HG LEU 21 HG LEU 21 -6.760 12.197 -25.666 130 HD11 LEU 21 1HD1 LEU 21 -7.673 13.728 -27.276 131 HD12 LEU 21 2HD1 LEU 21 -6.840 12.905 -28.594 132 HD13 LEU 21 3HD1 LEU 21 -5.913 13.780 -27.375 133 HD21 LEU 21 3HD2 LEU 21 -8.528 10.943 -26.145 134 HD22 LEU 21 1HD2 LEU 21 -7.507 9.996 -27.228 135 HD23 LEU 21 2HD2 LEU 21 -8.425 11.366 -27.855 136 H GLY 22 HN GLY 22 -2.685 10.008 -28.494 137 HA2 GLY 22 1HA GLY 22 -1.480 12.549 -28.994 138 HA3 GLY 22 2HA GLY 22 -0.671 10.989 -29.035 139 H SER 23 HN SER 23 -1.803 9.631 -31.019 140 HA SER 23 HA SER 23 -0.799 10.955 -33.344 141 HB2 SER 23 1HB SER 23 -0.485 8.802 -33.889 142 HB3 SER 23 2HB SER 23 -1.554 8.268 -32.593 143 HG SER 23 HG SER 23 -3.198 8.173 -33.959 144 H ALA 24 HN ALA 24 -3.953 10.400 -31.969 145 HA ALA 24 HA ALA 24 -5.519 10.907 -34.256 146 HB1 ALA 24 1HB ALA 24 -6.348 9.875 -32.153 147 HB2 ALA 24 2HB ALA 24 -6.271 11.464 -31.391 148 HB3 ALA 24 3HB ALA 24 -7.363 11.189 -32.748 149 H MET 25 HN MET 25 -4.310 13.051 -31.700 150 HA MET 25 HA MET 25 -5.514 15.385 -32.872 151 HB2 MET 25 1HB MET 25 -4.208 14.708 -30.402 152 HB3 MET 25 2HB MET 25 -3.485 16.164 -31.072 153 HG2 MET 25 1HG MET 25 -5.389 17.391 -30.840 154 HG3 MET 25 2HG MET 25 -6.444 15.987 -30.994 155 HE1 MET 25 3HE MET 25 -3.773 17.695 -28.806 156 HE2 MET 25 1HE MET 25 -4.055 17.035 -27.195 157 HE3 MET 25 2HE MET 25 -3.342 16.022 -28.450 158 H SER 26 HN SER 26 -2.508 13.702 -33.144 159 HA SER 26 HA SER 26 -0.959 15.867 -34.158 160 HB2 SER 26 1HB SER 26 0.444 14.212 -33.409 161 HB3 SER 26 2HB SER 26 -0.631 12.916 -33.934 162 HG SER 26 HG SER 26 0.094 13.165 -36.012 163 H ARG 27 HN ARG 27 -3.176 13.582 -35.551 164 HA ARG 27 HA ARG 27 -2.533 13.416 -38.172 165 HB2 ARG 27 1HB ARG 27 -5.300 14.060 -37.135 166 HB3 ARG 27 2HB ARG 27 -4.922 13.325 -38.688 167 HG2 ARG 27 1HG ARG 27 -4.609 12.140 -35.948 168 HG3 ARG 27 2HG ARG 27 -5.616 11.573 -37.281 169 HD2 ARG 27 1HD ARG 27 -2.610 11.528 -37.102 170 HD3 ARG 27 2HD ARG 27 -3.702 10.144 -37.128 171 HE ARG 27 HE ARG 27 -4.036 11.704 -39.462 172 HH11 ARG 27 1HH1 ARG 27 -1.837 9.461 -37.961 173 HH12 ARG 27 2HH1 ARG 27 -1.203 8.875 -39.463 174 HH21 ARG 27 1HH2 ARG 27 -3.209 10.941 -41.447 175 HH22 ARG 27 2HH2 ARG 27 -1.984 9.718 -41.445
Contact the webmaster for help, if required. Tuesday, May 14, 2024 1:51:54 PM GMT (wattos1)