NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558247 | 2m2x | 18937 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -11.350 -0.350 -0.409 2 HA2 GLY 1 2HA GLY 1 -12.843 -2.317 -1.095 3 HA3 GLY 1 1HA GLY 1 -12.821 -1.503 -2.659 4 H VAL 2 H VAL 2 -10.010 -0.544 -1.900 5 HA VAL 2 HA VAL 2 -8.529 -2.955 -1.927 6 HB VAL 2 HB VAL 2 -9.011 -2.881 -4.302 7 HG11 VAL 2 1HG1 VAL 2 -8.339 -1.070 -5.779 8 HG12 VAL 2 2HG1 VAL 2 -7.806 -0.137 -4.388 9 HG13 VAL 2 3HG1 VAL 2 -9.517 -0.529 -4.579 10 HG21 VAL 2 3HG2 VAL 2 -6.739 -2.845 -5.251 11 HG22 VAL 2 1HG2 VAL 2 -6.808 -3.693 -3.705 12 HG23 VAL 2 2HG2 VAL 2 -6.156 -2.056 -3.783 13 H ABA 3 H ABA 3 -7.234 -2.534 -0.336 14 HA ABA 3 HA ABA 3 -5.633 -0.076 -0.398 15 HB3 ABA 3 1HB ABA 3 -5.521 -0.225 2.074 16 HB2 ABA 3 2HB ABA 3 -6.629 -1.588 2.036 17 HG1 ABA 3 3HG ABA 3 -7.268 1.218 1.176 18 HG3 ABA 3 1HG ABA 3 -7.782 0.435 2.671 19 HG2 ABA 3 2HG ABA 3 -8.361 -0.156 1.107 20 H ARG 4 H ARG 4 -3.476 -0.404 -0.221 21 HA ARG 4 HA ARG 4 -2.642 -3.212 -0.051 22 HB2 ARG 4 2HB ARG 4 -1.143 -0.828 -1.147 23 HB3 ARG 4 1HB ARG 4 -0.529 -2.475 -1.092 24 HG2 ARG 4 2HG ARG 4 -2.884 -1.490 -2.688 25 HG3 ARG 4 1HG ARG 4 -1.306 -1.968 -3.313 26 HD2 ARG 4 2HD ARG 4 -1.713 -4.258 -2.425 27 HD3 ARG 4 1HD ARG 4 -3.324 -3.741 -1.944 28 HE ARG 4 HE ARG 4 -3.183 -3.116 -4.564 29 HH11 ARG 4 1HH1 ARG 4 -2.655 -6.099 -2.737 30 HH12 ARG 4 2HH1 ARG 4 -3.187 -7.126 -3.972 31 HH21 ARG 4 1HH2 ARG 4 -3.949 -4.533 -6.275 32 HH22 ARG 4 2HH2 ARG 4 -3.926 -6.213 -6.024 33 H ABA 5 H ABA 5 -0.818 -3.770 1.199 34 HA ABA 5 HA ABA 5 -0.203 -1.876 3.343 35 HB3 ABA 5 1HB ABA 5 -0.165 -3.766 4.915 36 HB2 ABA 5 2HB ABA 5 -0.624 -4.868 3.626 37 HG1 ABA 5 3HG ABA 5 -2.529 -4.324 5.052 38 HG3 ABA 5 1HG ABA 5 -2.770 -3.733 3.407 39 HG2 ABA 5 2HG ABA 5 -2.314 -2.612 4.683 40 H VAL 6 H VAL 6 1.644 -1.369 2.055 41 HA VAL 6 HA VAL 6 3.799 -3.332 2.281 42 HB VAL 6 HB VAL 6 3.565 -1.330 0.047 43 HG11 VAL 6 1HG1 VAL 6 5.330 -2.687 -1.028 44 HG12 VAL 6 2HG1 VAL 6 5.410 -3.679 0.430 45 HG13 VAL 6 3HG1 VAL 6 5.823 -1.964 0.502 46 HG21 VAL 6 3HG2 VAL 6 3.012 -3.190 -1.491 47 HG22 VAL 6 1HG2 VAL 6 1.761 -2.927 -0.273 48 HG23 VAL 6 2HG2 VAL 6 2.891 -4.269 -0.099 49 H ABA 7 H ABA 7 5.365 -2.514 3.451 50 HA ABA 7 HA ABA 7 5.613 0.372 3.670 51 HB3 ABA 7 1HB ABA 7 4.372 -0.203 5.608 52 HB2 ABA 7 2HB ABA 7 6.052 -0.029 6.114 53 HG1 ABA 7 3HG ABA 7 5.004 -1.925 7.206 54 HG3 ABA 7 1HG ABA 7 6.339 -2.427 6.168 55 HG2 ABA 7 2HG ABA 7 4.672 -2.653 5.634 56 H ARG 8 H ARG 8 7.332 -0.315 2.042 57 HA ARG 8 HA ARG 8 9.682 -1.376 3.399 58 HB2 ARG 8 2HB ARG 8 9.030 -1.407 0.446 59 HB3 ARG 8 1HB ARG 8 10.408 -2.170 1.221 60 HG2 ARG 8 2HG ARG 8 7.517 -2.937 1.563 61 HG3 ARG 8 1HG ARG 8 8.733 -3.824 0.648 62 HD2 ARG 8 2HD ARG 8 9.961 -4.302 2.670 63 HD3 ARG 8 1HD ARG 8 8.882 -3.276 3.612 64 HE ARG 8 HE ARG 8 7.697 -5.496 2.184 65 HH11 ARG 8 1HH1 ARG 8 8.885 -4.275 5.312 66 HH12 ARG 8 2HH1 ARG 8 7.960 -5.366 6.226 67 HH21 ARG 8 1HH2 ARG 8 6.466 -7.004 3.475 68 HH22 ARG 8 2HH2 ARG 8 6.596 -6.948 5.177 69 H ARG 9 H ARG 9 11.675 -0.495 2.448 70 HA ARG 9 HA ARG 9 11.486 2.374 2.422 71 HB2 ARG 9 2HB ARG 9 13.921 0.602 2.133 72 HB3 ARG 9 1HB ARG 9 13.962 2.353 2.286 73 HG2 ARG 9 2HG ARG 9 12.814 2.109 4.489 74 HG3 ARG 9 1HG ARG 9 13.030 0.368 4.328 75 HD2 ARG 9 2HD ARG 9 15.247 2.398 4.301 76 HD3 ARG 9 1HD ARG 9 14.773 1.444 5.703 77 HE ARG 9 HE ARG 9 15.311 -0.371 3.710 78 HH11 ARG 9 1HH1 ARG 9 17.154 2.242 5.259 79 HH12 ARG 9 2HH1 ARG 9 18.618 1.402 5.208 80 HH21 ARG 9 1HH2 ARG 9 17.354 -1.497 3.641 81 HH22 ARG 9 2HH2 ARG 9 18.746 -0.774 4.287 82 H GLY 10 H GLY 10 10.659 3.165 0.693 83 HA2 GLY 10 2HA GLY 10 11.303 4.066 -1.464 84 HA3 GLY 10 1HA GLY 10 11.860 2.447 -1.886 85 H VAL 11 H VAL 11 9.567 1.248 -0.460 86 HA VAL 11 HA VAL 11 7.481 1.870 -2.423 87 HB VAL 11 HB VAL 11 8.106 -0.929 -1.420 88 HG11 VAL 11 1HG1 VAL 11 6.284 0.001 -3.628 89 HG12 VAL 11 2HG1 VAL 11 5.781 -0.604 -2.051 90 HG13 VAL 11 3HG1 VAL 11 6.596 -1.677 -3.189 91 HG21 VAL 11 3HG2 VAL 11 9.950 -0.185 -2.841 92 HG22 VAL 11 1HG2 VAL 11 8.802 0.284 -4.096 93 HG23 VAL 11 2HG2 VAL 11 8.993 -1.417 -3.666 94 H ABA 12 H ABA 12 6.239 3.021 -1.045 95 HA ABA 12 HA ABA 12 5.305 1.704 1.394 96 HB3 ABA 12 1HB ABA 12 4.571 4.013 2.063 97 HB2 ABA 12 2HB ABA 12 5.410 4.635 0.646 98 HG1 ABA 12 3HG ABA 12 6.788 4.911 2.593 99 HG3 ABA 12 1HG ABA 12 7.504 3.720 1.510 100 HG2 ABA 12 2HG ABA 12 6.657 3.192 2.966 101 H ARG 13 H ARG 13 3.089 2.010 1.860 102 HA ARG 13 HA ARG 13 1.600 1.553 -0.518 103 HB2 ARG 13 2HB ARG 13 -0.305 0.973 1.083 104 HB3 ARG 13 1HB ARG 13 1.107 -0.059 1.057 105 HG2 ARG 13 2HG ARG 13 0.726 0.093 3.323 106 HG3 ARG 13 1HG ARG 13 1.838 1.436 3.111 107 HD2 ARG 13 2HD ARG 13 0.024 2.128 4.523 108 HD3 ARG 13 1HD ARG 13 -0.126 2.954 2.971 109 HE ARG 13 HE ARG 13 -1.602 0.607 2.834 110 HH11 ARG 13 1HH1 ARG 13 -1.714 3.658 4.612 111 HH12 ARG 13 2HH1 ARG 13 -3.400 3.676 4.824 112 HH21 ARG 13 1HH2 ARG 13 -3.923 0.586 3.129 113 HH22 ARG 13 2HH2 ARG 13 -4.687 1.850 3.986 114 H ABA 14 H ABA 14 1.368 3.295 -1.606 115 HA ABA 14 HA ABA 14 -0.260 5.430 -0.447 116 HB3 ABA 14 1HB ABA 14 0.388 6.744 -2.470 117 HB2 ABA 14 2HB ABA 14 1.331 5.361 -3.015 118 HG1 ABA 14 3HG ABA 14 1.839 6.945 -0.512 119 HG3 ABA 14 1HG ABA 14 2.751 7.052 -2.018 120 HG2 ABA 14 2HG ABA 14 2.781 5.564 -1.076 121 H VAL 15 H VAL 15 -1.085 2.854 -1.228 122 HA VAL 15 HA VAL 15 -3.126 3.491 -3.261 123 HB VAL 15 HB VAL 15 -2.217 0.763 -2.496 124 HG11 VAL 15 1HG1 VAL 15 -3.372 0.041 -4.584 125 HG12 VAL 15 2HG1 VAL 15 -3.912 1.707 -4.805 126 HG13 VAL 15 3HG1 VAL 15 -4.440 0.787 -3.396 127 HG21 VAL 15 3HG2 VAL 15 -1.335 2.332 -4.926 128 HG22 VAL 15 1HG2 VAL 15 -0.984 0.625 -4.658 129 HG23 VAL 15 2HG2 VAL 15 -0.318 1.845 -3.571 130 H ABA 16 H ABA 16 -4.791 3.924 -2.177 131 HA ABA 16 HA ABA 16 -5.857 2.122 -0.177 132 HB3 ABA 16 1HB ABA 16 -5.353 5.047 0.461 133 HB2 ABA 16 2HB ABA 16 -4.446 3.698 1.125 134 HG1 ABA 16 3HG ABA 16 -7.379 4.191 1.584 135 HG3 ABA 16 1HG ABA 16 -6.077 4.564 2.715 136 HG2 ABA 16 2HG ABA 16 -6.414 2.890 2.281 137 H ARG 17 H ARG 17 -7.517 1.749 -1.682 138 HA ARG 17 HA ARG 17 -9.337 3.990 -2.074 139 HB2 ARG 17 2HB ARG 17 -9.013 1.447 -3.665 140 HB3 ARG 17 1HB ARG 17 -10.279 2.627 -3.928 141 HG2 ARG 17 2HG ARG 17 -8.516 4.290 -4.496 142 HG3 ARG 17 1HG ARG 17 -7.333 2.985 -4.376 143 HD2 ARG 17 2HD ARG 17 -8.492 1.731 -6.089 144 HD3 ARG 17 1HD ARG 17 -9.741 2.968 -6.180 145 HE ARG 17 HE ARG 17 -7.357 4.228 -6.661 146 HH11 ARG 17 1HH1 ARG 17 -9.239 1.616 -8.137 147 HH12 ARG 17 2HH1 ARG 17 -8.697 1.924 -9.728 148 HH21 ARG 17 1HH2 ARG 17 -6.625 4.662 -8.889 149 HH22 ARG 17 2HH2 ARG 17 -7.166 3.662 -10.145 150 H ARG 18 H ARG 18 -11.553 3.351 -1.877 151 HA ARG 18 HA ARG 18 -11.930 1.567 0.359 152 HB2 ARG 18 2HB ARG 18 -13.993 3.101 -1.241 153 HB3 ARG 18 1HB ARG 18 -14.264 2.322 0.314 154 HG2 ARG 18 2HG ARG 18 -12.437 4.660 -0.221 155 HG3 ARG 18 1HG ARG 18 -13.984 4.709 0.627 156 HD2 ARG 18 2HD ARG 18 -13.115 3.316 2.382 157 HD3 ARG 18 1HD ARG 18 -11.595 3.101 1.523 158 HE ARG 18 HE ARG 18 -11.989 5.808 1.878 159 HH11 ARG 18 1HH1 ARG 18 -11.384 2.936 3.858 160 HH12 ARG 18 2HH1 ARG 18 -10.577 3.765 5.105 161 HH21 ARG 18 1HH2 ARG 18 -10.813 6.960 3.548 162 HH22 ARG 18 2HH2 ARG 18 -10.227 6.111 4.907 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.298 -1.720 -1.914 2 HA2 GLY 1 2HA GLY 1 -10.834 -3.592 -3.592 3 HA3 GLY 1 1HA GLY 1 -10.661 -2.286 -4.765 4 H VAL 2 H VAL 2 -8.638 -0.842 -3.782 5 HA VAL 2 HA VAL 2 -6.480 -2.743 -3.392 6 HB VAL 2 HB VAL 2 -6.317 -2.034 -5.689 7 HG11 VAL 2 1HG1 VAL 2 -7.442 0.085 -5.680 8 HG12 VAL 2 2HG1 VAL 2 -5.841 0.287 -6.379 9 HG13 VAL 2 3HG1 VAL 2 -6.155 0.814 -4.724 10 HG21 VAL 2 3HG2 VAL 2 -4.004 -1.147 -5.756 11 HG22 VAL 2 1HG2 VAL 2 -4.213 -2.461 -4.592 12 HG23 VAL 2 2HG2 VAL 2 -4.120 -0.789 -4.035 13 H ABA 3 H ABA 3 -6.789 -2.413 -1.280 14 HA ABA 3 HA ABA 3 -5.908 0.140 -0.178 15 HB3 ABA 3 1HB ABA 3 -7.031 -2.294 1.253 16 HB2 ABA 3 2HB ABA 3 -7.969 -0.886 0.770 17 HG1 ABA 3 3HG ABA 3 -6.646 0.508 2.290 18 HG3 ABA 3 1HG ABA 3 -5.732 -0.915 2.786 19 HG2 ABA 3 2HG ABA 3 -7.458 -0.808 3.138 20 H ARG 4 H ARG 4 -3.787 -0.061 -0.793 21 HA ARG 4 HA ARG 4 -2.244 -2.266 0.402 22 HB2 ARG 4 2HB ARG 4 -2.064 -1.749 -2.109 23 HB3 ARG 4 1HB ARG 4 -1.256 -0.264 -1.607 24 HG2 ARG 4 2HG ARG 4 0.493 -1.723 -2.111 25 HG3 ARG 4 1HG ARG 4 0.376 -1.769 -0.355 26 HD2 ARG 4 2HD ARG 4 -0.786 -3.812 -2.253 27 HD3 ARG 4 1HD ARG 4 0.727 -4.000 -1.380 28 HE ARG 4 HE ARG 4 -0.974 -3.704 0.652 29 HH11 ARG 4 1HH1 ARG 4 -1.331 -5.656 -2.299 30 HH12 ARG 4 2HH1 ARG 4 -2.244 -6.867 -1.566 31 HH21 ARG 4 1HH2 ARG 4 -2.226 -5.402 1.676 32 HH22 ARG 4 2HH2 ARG 4 -2.754 -6.727 0.766 33 H ABA 5 H ABA 5 -1.689 -1.631 2.404 34 HA ABA 5 HA ABA 5 -0.460 1.003 2.708 35 HB3 ABA 5 1HB ABA 5 -1.278 0.985 5.059 36 HB2 ABA 5 2HB ABA 5 -2.146 -0.507 4.719 37 HG1 ABA 5 3HG ABA 5 -3.536 0.658 3.091 38 HG3 ABA 5 1HG ABA 5 -2.666 2.157 3.412 39 HG2 ABA 5 2HG ABA 5 -3.637 1.410 4.681 40 H VAL 6 H VAL 6 1.561 0.046 2.243 41 HA VAL 6 HA VAL 6 2.689 -1.460 4.457 42 HB VAL 6 HB VAL 6 4.094 -2.741 2.823 43 HG11 VAL 6 1HG1 VAL 6 2.373 -4.419 2.257 44 HG12 VAL 6 2HG1 VAL 6 1.136 -3.238 2.690 45 HG13 VAL 6 3HG1 VAL 6 2.245 -3.841 3.922 46 HG21 VAL 6 3HG2 VAL 6 3.808 -1.366 0.843 47 HG22 VAL 6 1HG2 VAL 6 2.087 -1.748 0.804 48 HG23 VAL 6 2HG2 VAL 6 3.284 -3.011 0.504 49 H ABA 7 H ABA 7 4.652 -0.727 5.095 50 HA ABA 7 HA ABA 7 5.883 1.387 3.503 51 HB3 ABA 7 1HB ABA 7 7.063 1.949 5.598 52 HB2 ABA 7 2HB ABA 7 6.251 0.620 6.412 53 HG1 ABA 7 3HG ABA 7 4.916 3.049 5.242 54 HG3 ABA 7 1HG ABA 7 5.202 2.733 6.953 55 HG2 ABA 7 2HG ABA 7 4.096 1.708 6.040 56 H ARG 8 H ARG 8 6.908 -0.043 2.034 57 HA ARG 8 HA ARG 8 9.049 -1.655 3.172 58 HB2 ARG 8 2HB ARG 8 7.470 -2.143 0.620 59 HB3 ARG 8 1HB ARG 8 8.731 -3.192 1.264 60 HG2 ARG 8 2HG ARG 8 7.341 -3.727 3.179 61 HG3 ARG 8 1HG ARG 8 6.130 -2.569 2.624 62 HD2 ARG 8 2HD ARG 8 5.307 -4.708 2.011 63 HD3 ARG 8 1HD ARG 8 5.929 -3.990 0.533 64 HE ARG 8 HE ARG 8 7.785 -5.680 1.938 65 HH11 ARG 8 1HH1 ARG 8 5.284 -5.563 -0.602 66 HH12 ARG 8 2HH1 ARG 8 5.713 -7.044 -1.287 67 HH21 ARG 8 1HH2 ARG 8 8.338 -7.750 0.988 68 HH22 ARG 8 2HH2 ARG 8 7.486 -8.320 -0.370 69 H ARG 9 H ARG 9 10.978 -1.541 1.948 70 HA ARG 9 HA ARG 9 11.642 1.043 1.020 71 HB2 ARG 9 2HB ARG 9 13.169 -1.537 0.663 72 HB3 ARG 9 1HB ARG 9 13.808 0.063 0.340 73 HG2 ARG 9 2HG ARG 9 13.603 0.641 2.693 74 HG3 ARG 9 1HG ARG 9 12.924 -0.954 3.031 75 HD2 ARG 9 2HD ARG 9 14.984 -1.997 2.184 76 HD3 ARG 9 1HD ARG 9 15.655 -0.399 1.884 77 HE ARG 9 HE ARG 9 15.152 -0.213 4.452 78 HH11 ARG 9 1HH1 ARG 9 16.547 -2.953 2.725 79 HH12 ARG 9 2HH1 ARG 9 17.587 -3.434 3.969 80 HH21 ARG 9 1HH2 ARG 9 16.614 -0.830 6.194 81 HH22 ARG 9 2HH2 ARG 9 17.625 -2.184 6.007 82 H GLY 10 H GLY 10 10.748 1.853 -0.763 83 HA2 GLY 10 2HA GLY 10 10.984 2.146 -3.125 84 HA3 GLY 10 1HA GLY 10 11.183 0.400 -3.284 85 H VAL 11 H VAL 11 8.973 0.183 -1.253 86 HA VAL 11 HA VAL 11 6.714 0.729 -3.009 87 HB VAL 11 HB VAL 11 7.117 -1.870 -1.456 88 HG11 VAL 11 1HG1 VAL 11 4.770 -1.293 -1.592 89 HG12 VAL 11 2HG1 VAL 11 5.097 -2.642 -2.689 90 HG13 VAL 11 3HG1 VAL 11 4.912 -1.013 -3.324 91 HG21 VAL 11 3HG2 VAL 11 7.221 -1.385 -4.437 92 HG22 VAL 11 1HG2 VAL 11 7.293 -2.963 -3.657 93 HG23 VAL 11 2HG2 VAL 11 8.587 -1.793 -3.403 94 H ABA 12 H ABA 12 7.010 2.538 -1.412 95 HA ABA 12 HA ABA 12 5.724 1.970 1.142 96 HB3 ABA 12 1HB ABA 12 6.083 4.410 1.580 97 HB2 ABA 12 2HB ABA 12 6.830 4.555 -0.004 98 HG1 ABA 12 3HG ABA 12 8.598 3.021 0.683 99 HG3 ABA 12 1HG ABA 12 7.858 2.888 2.274 100 HG2 ABA 12 2HG ABA 12 8.506 4.435 1.734 101 H ARG 13 H ARG 13 3.655 1.556 0.717 102 HA ARG 13 HA ARG 13 2.241 3.571 -0.830 103 HB2 ARG 13 2HB ARG 13 1.684 0.606 -0.774 104 HB3 ARG 13 1HB ARG 13 0.682 1.813 -1.563 105 HG2 ARG 13 2HG ARG 13 2.676 2.397 -2.989 106 HG3 ARG 13 1HG ARG 13 3.494 1.006 -2.290 107 HD2 ARG 13 2HD ARG 13 1.683 -0.444 -3.110 108 HD3 ARG 13 1HD ARG 13 0.914 0.947 -3.866 109 HE ARG 13 HE ARG 13 3.516 -0.209 -4.622 110 HH11 ARG 13 1HH1 ARG 13 0.744 1.812 -5.523 111 HH12 ARG 13 2HH1 ARG 13 0.992 1.639 -7.192 112 HH21 ARG 13 1HH2 ARG 13 3.842 -0.424 -6.939 113 HH22 ARG 13 2HH2 ARG 13 2.787 0.347 -8.018 114 H ABA 14 H ABA 14 0.412 4.307 0.011 115 HA ABA 14 HA ABA 14 -0.719 3.088 2.378 116 HB3 ABA 14 1HB ABA 14 0.080 6.021 2.291 117 HB2 ABA 14 2HB ABA 14 1.027 4.791 3.112 118 HG1 ABA 14 3HG ABA 14 -1.795 5.594 3.801 119 HG3 ABA 14 1HG ABA 14 -0.338 6.040 4.691 120 HG2 ABA 14 2HG ABA 14 -0.849 4.353 4.625 121 H VAL 15 H VAL 15 -1.887 2.721 0.228 122 HA VAL 15 HA VAL 15 -3.623 4.982 -0.300 123 HB VAL 15 HB VAL 15 -4.205 3.880 -2.478 124 HG11 VAL 15 1HG1 VAL 15 -2.114 4.477 -3.603 125 HG12 VAL 15 2HG1 VAL 15 -1.283 4.474 -2.043 126 HG13 VAL 15 3HG1 VAL 15 -2.547 5.661 -2.366 127 HG21 VAL 15 3HG2 VAL 15 -2.727 2.114 -3.354 128 HG22 VAL 15 1HG2 VAL 15 -3.595 1.564 -1.921 129 HG23 VAL 15 2HG2 VAL 15 -1.900 2.036 -1.795 130 H ABA 16 H ABA 16 -5.520 4.936 0.442 131 HA ABA 16 HA ABA 16 -6.616 2.391 1.358 132 HB3 ABA 16 1HB ABA 16 -7.390 5.221 2.131 133 HB2 ABA 16 2HB ABA 16 -6.320 4.183 3.063 134 HG1 ABA 16 3HG ABA 16 -8.147 2.613 3.438 135 HG3 ABA 16 1HG ABA 16 -9.220 3.649 2.500 136 HG2 ABA 16 2HG ABA 16 -8.549 4.234 4.017 137 H ARG 17 H ARG 17 -7.311 1.780 -0.703 138 HA ARG 17 HA ARG 17 -9.537 3.336 -1.752 139 HB2 ARG 17 2HB ARG 17 -7.706 1.453 -3.245 140 HB3 ARG 17 1HB ARG 17 -9.005 2.411 -3.939 141 HG2 ARG 17 2HG ARG 17 -6.504 3.510 -2.674 142 HG3 ARG 17 1HG ARG 17 -6.792 3.358 -4.407 143 HD2 ARG 17 2HD ARG 17 -8.657 4.891 -4.253 144 HD3 ARG 17 1HD ARG 17 -8.462 5.000 -2.503 145 HE ARG 17 HE ARG 17 -6.048 5.666 -3.675 146 HH11 ARG 17 1HH1 ARG 17 -9.327 6.998 -3.688 147 HH12 ARG 17 2HH1 ARG 17 -8.822 8.614 -3.740 148 HH21 ARG 17 1HH2 ARG 17 -5.349 7.846 -3.787 149 HH22 ARG 17 2HH2 ARG 17 -6.475 9.124 -3.816 150 H ARG 18 H ARG 18 -11.333 2.164 -2.291 151 HA ARG 18 HA ARG 18 -11.698 -0.343 -0.928 152 HB2 ARG 18 2HB ARG 18 -13.552 1.224 -2.724 153 HB3 ARG 18 1HB ARG 18 -14.006 -0.230 -1.849 154 HG2 ARG 18 2HG ARG 18 -13.116 2.352 -0.571 155 HG3 ARG 18 1HG ARG 18 -14.789 1.840 -0.749 156 HD2 ARG 18 2HD ARG 18 -14.193 1.284 1.468 157 HD3 ARG 18 1HD ARG 18 -14.129 -0.236 0.585 158 HE ARG 18 HE ARG 18 -11.788 1.386 1.296 159 HH11 ARG 18 1HH1 ARG 18 -13.307 -1.796 0.957 160 HH12 ARG 18 2HH1 ARG 18 -11.945 -2.666 1.449 161 HH21 ARG 18 1HH2 ARG 18 -9.910 0.167 2.018 162 HH22 ARG 18 2HH2 ARG 18 -9.970 -1.536 2.057 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -10.561 1.575 -1.176 2 HA2 GLY 1 2HA GLY 1 -10.693 0.860 1.105 3 HA3 GLY 1 1HA GLY 1 -11.754 -0.446 0.596 4 H VAL 2 H VAL 2 -9.732 -0.903 -1.689 5 HA VAL 2 HA VAL 2 -8.192 -2.857 -0.257 6 HB VAL 2 HB VAL 2 -8.378 -2.293 -3.238 7 HG11 VAL 2 1HG1 VAL 2 -7.402 -4.531 -3.528 8 HG12 VAL 2 2HG1 VAL 2 -7.210 -4.664 -1.778 9 HG13 VAL 2 3HG1 VAL 2 -6.309 -3.439 -2.677 10 HG21 VAL 2 3HG2 VAL 2 -9.754 -4.396 -1.578 11 HG22 VAL 2 1HG2 VAL 2 -9.824 -4.274 -3.337 12 HG23 VAL 2 2HG2 VAL 2 -10.523 -3.000 -2.331 13 H ABA 3 H ABA 3 -6.684 -1.787 0.734 14 HA ABA 3 HA ABA 3 -4.924 -0.038 -0.824 15 HB3 ABA 3 1HB ABA 3 -5.833 1.019 1.148 16 HB2 ABA 3 2HB ABA 3 -4.094 0.830 1.328 17 HG1 ABA 3 3HG ABA 3 -6.201 -0.861 2.596 18 HG3 ABA 3 1HG ABA 3 -5.230 0.399 3.363 19 HG2 ABA 3 2HG ABA 3 -4.447 -1.080 2.770 20 H ARG 4 H ARG 4 -2.774 -0.290 -0.836 21 HA ARG 4 HA ARG 4 -1.918 -3.040 -0.651 22 HB2 ARG 4 2HB ARG 4 -0.427 -0.563 -1.545 23 HB3 ARG 4 1HB ARG 4 0.211 -2.199 -1.624 24 HG2 ARG 4 2HG ARG 4 -2.216 -1.186 -3.091 25 HG3 ARG 4 1HG ARG 4 -0.617 -1.442 -3.794 26 HD2 ARG 4 2HD ARG 4 -2.369 -3.586 -2.568 27 HD3 ARG 4 1HD ARG 4 -2.139 -3.288 -4.287 28 HE ARG 4 HE ARG 4 0.294 -3.735 -3.790 29 HH11 ARG 4 1HH1 ARG 4 -2.364 -5.393 -2.070 30 HH12 ARG 4 2HH1 ARG 4 -1.456 -6.792 -1.752 31 HH21 ARG 4 1HH2 ARG 4 1.537 -5.684 -3.293 32 HH22 ARG 4 2HH2 ARG 4 0.795 -6.970 -2.462 33 H ABA 5 H ABA 5 -1.833 -3.554 1.444 34 HA ABA 5 HA ABA 5 -0.529 -1.985 3.421 35 HB3 ABA 5 1HB ABA 5 -1.298 -4.919 3.458 36 HB2 ABA 5 2HB ABA 5 -2.326 -3.591 3.972 37 HG1 ABA 5 3HG ABA 5 0.254 -4.430 5.271 38 HG3 ABA 5 1HG ABA 5 -1.369 -4.732 5.889 39 HG2 ABA 5 2HG ABA 5 -0.750 -3.079 5.779 40 H VAL 6 H VAL 6 1.474 -1.555 2.442 41 HA VAL 6 HA VAL 6 3.455 -3.587 2.945 42 HB VAL 6 HB VAL 6 2.941 -3.850 0.565 43 HG11 VAL 6 1HG1 VAL 6 2.066 -1.665 0.029 44 HG12 VAL 6 2HG1 VAL 6 3.390 -2.059 -1.068 45 HG13 VAL 6 3HG1 VAL 6 3.655 -0.937 0.266 46 HG21 VAL 6 3HG2 VAL 6 5.209 -3.479 -0.384 47 HG22 VAL 6 1HG2 VAL 6 5.238 -4.240 1.211 48 HG23 VAL 6 2HG2 VAL 6 5.601 -2.527 1.046 49 H ABA 7 H ABA 7 5.381 -2.741 3.516 50 HA ABA 7 HA ABA 7 5.741 0.136 3.415 51 HB3 ABA 7 1HB ABA 7 5.963 -1.455 5.982 52 HB2 ABA 7 2HB ABA 7 4.673 -0.323 5.602 53 HG1 ABA 7 3HG ABA 7 7.581 0.369 5.902 54 HG3 ABA 7 1HG ABA 7 6.307 0.670 7.084 55 HG2 ABA 7 2HG ABA 7 6.280 1.497 5.528 56 H ARG 8 H ARG 8 7.339 -0.215 1.939 57 HA ARG 8 HA ARG 8 9.820 -1.324 2.991 58 HB2 ARG 8 2HB ARG 8 8.737 -1.638 0.184 59 HB3 ARG 8 1HB ARG 8 10.344 -2.121 0.705 60 HG2 ARG 8 2HG ARG 8 9.282 -3.771 2.226 61 HG3 ARG 8 1HG ARG 8 7.713 -3.337 1.533 62 HD2 ARG 8 2HD ARG 8 8.571 -5.300 0.408 63 HD3 ARG 8 1HD ARG 8 8.566 -3.930 -0.706 64 HE ARG 8 HE ARG 8 10.960 -4.820 0.744 65 HH11 ARG 8 1HH1 ARG 8 9.441 -3.825 -2.329 66 HH12 ARG 8 2HH1 ARG 8 10.895 -3.809 -3.190 67 HH21 ARG 8 1HH2 ARG 8 12.971 -4.801 -0.508 68 HH22 ARG 8 2HH2 ARG 8 12.909 -4.425 -2.168 69 H ARG 9 H ARG 9 11.648 -0.372 1.727 70 HA ARG 9 HA ARG 9 11.160 2.433 1.359 71 HB2 ARG 9 2HB ARG 9 13.688 0.802 1.099 72 HB3 ARG 9 1HB ARG 9 13.612 2.559 0.998 73 HG2 ARG 9 2HG ARG 9 12.844 2.712 3.271 74 HG3 ARG 9 1HG ARG 9 12.759 0.953 3.378 75 HD2 ARG 9 2HD ARG 9 15.255 2.582 2.947 76 HD3 ARG 9 1HD ARG 9 14.770 1.817 4.463 77 HE ARG 9 HE ARG 9 15.386 0.359 1.987 78 HH11 ARG 9 1HH1 ARG 9 15.555 0.574 5.527 79 HH12 ARG 9 2HH1 ARG 9 16.462 -0.859 5.683 80 HH21 ARG 9 1HH2 ARG 9 16.586 -1.620 2.236 81 HH22 ARG 9 2HH2 ARG 9 17.016 -2.156 3.789 82 H GLY 10 H GLY 10 10.042 2.797 -0.372 83 HA2 GLY 10 2HA GLY 10 10.603 3.330 -2.766 84 HA3 GLY 10 1HA GLY 10 10.874 1.595 -2.921 85 H VAL 11 H VAL 11 8.614 1.366 -0.817 86 HA VAL 11 HA VAL 11 6.316 2.186 -2.238 87 HB VAL 11 HB VAL 11 6.887 0.257 -3.636 88 HG11 VAL 11 1HG1 VAL 11 8.203 -1.055 -2.124 89 HG12 VAL 11 2HG1 VAL 11 6.891 -2.034 -2.790 90 HG13 VAL 11 3HG1 VAL 11 6.783 -1.414 -1.143 91 HG21 VAL 11 3HG2 VAL 11 4.782 -1.032 -3.454 92 HG22 VAL 11 1HG2 VAL 11 4.535 0.711 -3.333 93 HG23 VAL 11 2HG2 VAL 11 4.503 -0.280 -1.879 94 H ABA 12 H ABA 12 4.988 2.785 -0.744 95 HA ABA 12 HA ABA 12 4.729 1.237 1.728 96 HB3 ABA 12 1HB ABA 12 4.447 3.424 2.931 97 HB2 ABA 12 2HB ABA 12 4.947 4.249 1.464 98 HG1 ABA 12 3HG ABA 12 6.771 4.094 3.054 99 HG3 ABA 12 1HG ABA 12 7.130 3.182 1.587 100 HG2 ABA 12 2HG ABA 12 6.636 2.337 3.053 101 H ARG 13 H ARG 13 2.674 1.799 2.832 102 HA ARG 13 HA ARG 13 0.524 1.736 0.961 103 HB2 ARG 13 2HB ARG 13 0.422 0.453 3.064 104 HB3 ARG 13 1HB ARG 13 0.463 1.966 3.969 105 HG2 ARG 13 2HG ARG 13 -1.666 2.623 2.971 106 HG3 ARG 13 1HG ARG 13 -1.717 1.103 2.082 107 HD2 ARG 13 2HD ARG 13 -3.133 1.025 4.081 108 HD3 ARG 13 1HD ARG 13 -1.809 -0.134 4.181 109 HE ARG 13 HE ARG 13 -0.821 1.121 5.839 110 HH11 ARG 13 1HH1 ARG 13 -3.717 2.803 4.716 111 HH12 ARG 13 2HH1 ARG 13 -3.964 3.664 6.171 112 HH21 ARG 13 1HH2 ARG 13 -1.166 2.278 7.824 113 HH22 ARG 13 2HH2 ARG 13 -2.449 3.394 7.972 114 H ABA 14 H ABA 14 0.576 3.633 -0.108 115 HA ABA 14 HA ABA 14 -0.664 5.867 1.322 116 HB3 ABA 14 1HB ABA 14 0.591 7.457 -0.176 117 HB2 ABA 14 2HB ABA 14 1.499 6.095 -0.811 118 HG1 ABA 14 3HG ABA 14 2.487 5.705 1.380 119 HG3 ABA 14 1HG ABA 14 1.570 7.062 2.034 120 HG2 ABA 14 2HG ABA 14 2.806 7.341 0.809 121 H VAL 15 H VAL 15 -1.556 3.636 -0.144 122 HA VAL 15 HA VAL 15 -3.154 4.905 -2.227 123 HB VAL 15 HB VAL 15 -1.668 2.353 -2.709 124 HG11 VAL 15 1HG1 VAL 15 -2.555 2.489 -5.019 125 HG12 VAL 15 2HG1 VAL 15 -3.532 3.871 -4.517 126 HG13 VAL 15 3HG1 VAL 15 -3.790 2.290 -3.781 127 HG21 VAL 15 3HG2 VAL 15 -1.188 5.051 -3.996 128 HG22 VAL 15 1HG2 VAL 15 -0.433 3.547 -4.519 129 HG23 VAL 15 2HG2 VAL 15 -0.091 4.199 -2.915 130 H ABA 16 H ABA 16 -5.111 4.363 -1.818 131 HA ABA 16 HA ABA 16 -5.822 1.646 -1.160 132 HB3 ABA 16 1HB ABA 16 -6.176 2.923 0.888 133 HB2 ABA 16 2HB ABA 16 -7.730 2.595 0.122 134 HG1 ABA 16 3HG ABA 16 -7.818 4.831 -0.747 135 HG3 ABA 16 1HG ABA 16 -6.273 5.202 0.011 136 HG2 ABA 16 2HG ABA 16 -7.683 4.826 1.010 137 H ARG 17 H ARG 17 -7.165 0.818 -2.627 138 HA ARG 17 HA ARG 17 -8.602 2.652 -4.380 139 HB2 ARG 17 2HB ARG 17 -7.427 -0.062 -4.957 140 HB3 ARG 17 1HB ARG 17 -8.483 0.797 -6.059 141 HG2 ARG 17 2HG ARG 17 -6.813 2.591 -6.232 142 HG3 ARG 17 1HG ARG 17 -5.766 1.700 -5.118 143 HD2 ARG 17 2HD ARG 17 -5.676 -0.165 -6.674 144 HD3 ARG 17 1HD ARG 17 -6.763 0.681 -7.773 145 HE ARG 17 HE ARG 17 -4.499 2.261 -7.259 146 HH11 ARG 17 1HH1 ARG 17 -5.469 -0.668 -9.018 147 HH12 ARG 17 2HH1 ARG 17 -4.215 -0.563 -10.167 148 HH21 ARG 17 1HH2 ARG 17 -2.753 2.377 -8.871 149 HH22 ARG 17 2HH2 ARG 17 -2.676 1.198 -10.096 150 H ARG 18 H ARG 18 -10.620 2.648 -3.573 151 HA ARG 18 HA ARG 18 -12.675 1.993 -2.906 152 HB2 ARG 18 2HB ARG 18 -11.897 -0.441 -4.472 153 HB3 ARG 18 1HB ARG 18 -13.529 -0.215 -3.831 154 HG2 ARG 18 2HG ARG 18 -13.767 1.793 -5.213 155 HG3 ARG 18 1HG ARG 18 -12.125 1.585 -5.795 156 HD2 ARG 18 2HD ARG 18 -13.786 0.769 -7.401 157 HD3 ARG 18 1HD ARG 18 -12.709 -0.509 -6.852 158 HE ARG 18 HE ARG 18 -14.831 -0.754 -5.205 159 HH11 ARG 18 1HH1 ARG 18 -14.682 -0.507 -8.751 160 HH12 ARG 18 2HH1 ARG 18 -15.963 -1.599 -9.005 161 HH21 ARG 18 1HH2 ARG 18 -16.590 -2.223 -5.579 162 HH22 ARG 18 2HH2 ARG 18 -17.070 -2.579 -7.181 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -10.327 -1.234 -1.417 2 HA2 GLY 1 2HA GLY 1 -9.455 -3.431 -1.098 3 HA3 GLY 1 1HA GLY 1 -9.584 -3.698 -2.829 4 H VAL 2 H VAL 2 -8.258 -0.858 -2.955 5 HA VAL 2 HA VAL 2 -5.537 -1.874 -2.875 6 HB VAL 2 HB VAL 2 -6.605 0.766 -3.953 7 HG11 VAL 2 1HG1 VAL 2 -4.237 0.849 -3.372 8 HG12 VAL 2 2HG1 VAL 2 -4.465 0.940 -5.118 9 HG13 VAL 2 3HG1 VAL 2 -3.935 -0.571 -4.373 10 HG21 VAL 2 3HG2 VAL 2 -6.335 -0.216 -6.195 11 HG22 VAL 2 1HG2 VAL 2 -7.531 -1.084 -5.230 12 HG23 VAL 2 2HG2 VAL 2 -5.919 -1.760 -5.451 13 H ABA 3 H ABA 3 -5.261 -1.904 -0.705 14 HA ABA 3 HA ABA 3 -5.605 0.575 0.831 15 HB3 ABA 3 1HB ABA 3 -5.658 -0.884 2.796 16 HB2 ABA 3 2HB ABA 3 -5.411 -2.290 1.772 17 HG1 ABA 3 3HG ABA 3 -7.554 -1.901 0.691 18 HG3 ABA 3 1HG ABA 3 -7.814 -0.481 1.701 19 HG2 ABA 3 2HG ABA 3 -7.740 -2.084 2.436 20 H ARG 4 H ARG 4 -4.029 0.965 2.476 21 HA ARG 4 HA ARG 4 -1.331 0.553 1.596 22 HB2 ARG 4 2HB ARG 4 -2.102 2.680 2.618 23 HB3 ARG 4 1HB ARG 4 -2.429 1.816 4.112 24 HG2 ARG 4 2HG ARG 4 -0.030 1.283 4.299 25 HG3 ARG 4 1HG ARG 4 0.279 2.245 2.852 26 HD2 ARG 4 2HD ARG 4 -0.701 4.200 3.990 27 HD3 ARG 4 1HD ARG 4 -0.921 3.228 5.443 28 HE ARG 4 HE ARG 4 1.775 3.367 4.414 29 HH11 ARG 4 1HH1 ARG 4 -0.566 4.691 6.729 30 HH12 ARG 4 2HH1 ARG 4 0.615 5.500 7.651 31 HH21 ARG 4 1HH2 ARG 4 3.378 4.476 5.706 32 HH22 ARG 4 2HH2 ARG 4 2.883 5.367 7.075 33 H ABA 5 H ABA 5 -1.003 -1.619 1.778 34 HA ABA 5 HA ABA 5 -0.590 -2.556 4.510 35 HB3 ABA 5 1HB ABA 5 -1.735 -4.298 2.287 36 HB2 ABA 5 2HB ABA 5 -2.731 -3.537 3.516 37 HG1 ABA 5 3HG ABA 5 -2.350 -5.875 4.033 38 HG3 ABA 5 1HG ABA 5 -1.609 -4.838 5.253 39 HG2 ABA 5 2HG ABA 5 -0.606 -5.607 4.024 40 H VAL 6 H VAL 6 0.920 -1.356 2.455 41 HA VAL 6 HA VAL 6 3.112 -3.187 2.278 42 HB VAL 6 HB VAL 6 3.507 -2.391 -0.163 43 HG11 VAL 6 1HG1 VAL 6 2.197 -4.293 -1.076 44 HG12 VAL 6 2HG1 VAL 6 1.336 -4.406 0.458 45 HG13 VAL 6 3HG1 VAL 6 3.071 -4.725 0.392 46 HG21 VAL 6 3HG2 VAL 6 1.710 -0.769 -0.243 47 HG22 VAL 6 1HG2 VAL 6 0.517 -2.040 0.003 48 HG23 VAL 6 2HG2 VAL 6 1.467 -2.007 -1.485 49 H ABA 7 H ABA 7 4.173 -1.957 3.661 50 HA ABA 7 HA ABA 7 4.979 0.692 2.704 51 HB3 ABA 7 1HB ABA 7 4.860 -0.286 5.580 52 HB2 ABA 7 2HB ABA 7 3.682 0.793 4.843 53 HG1 ABA 7 3HG ABA 7 5.218 2.045 6.227 54 HG3 ABA 7 1HG ABA 7 5.431 2.485 4.535 55 HG2 ABA 7 2HG ABA 7 6.590 1.414 5.321 56 H ARG 8 H ARG 8 6.457 -0.535 1.438 57 HA ARG 8 HA ARG 8 8.588 -1.801 2.936 58 HB2 ARG 8 2HB ARG 8 7.864 -1.921 0.005 59 HB3 ARG 8 1HB ARG 8 9.200 -2.784 0.761 60 HG2 ARG 8 2HG ARG 8 7.654 -4.058 2.105 61 HG3 ARG 8 1HG ARG 8 6.305 -3.125 1.456 62 HD2 ARG 8 2HD ARG 8 6.788 -4.012 -0.781 63 HD3 ARG 8 1HD ARG 8 8.121 -4.957 -0.110 64 HE ARG 8 HE ARG 8 5.987 -5.618 1.405 65 HH11 ARG 8 1HH1 ARG 8 6.601 -5.778 -2.094 66 HH12 ARG 8 2HH1 ARG 8 5.566 -7.119 -2.317 67 HH21 ARG 8 1HH2 ARG 8 4.604 -7.468 1.042 68 HH22 ARG 8 2HH2 ARG 8 4.428 -8.084 -0.532 69 H ARG 9 H ARG 9 10.664 -1.150 2.448 70 HA ARG 9 HA ARG 9 10.803 1.670 1.859 71 HB2 ARG 9 2HB ARG 9 13.010 -0.240 2.667 72 HB3 ARG 9 1HB ARG 9 13.142 1.513 2.615 73 HG2 ARG 9 2HG ARG 9 11.335 -0.085 4.440 74 HG3 ARG 9 1HG ARG 9 12.817 0.748 4.909 75 HD2 ARG 9 2HD ARG 9 11.790 2.903 4.310 76 HD3 ARG 9 1HD ARG 9 10.337 2.066 3.795 77 HE ARG 9 HE ARG 9 10.092 1.334 6.141 78 HH11 ARG 9 1HH1 ARG 9 12.113 4.196 5.534 79 HH12 ARG 9 2HH1 ARG 9 11.689 4.976 6.975 80 HH21 ARG 9 1HH2 ARG 9 9.439 2.469 8.110 81 HH22 ARG 9 2HH2 ARG 9 10.129 3.967 8.480 82 H GLY 10 H GLY 10 10.084 1.400 -0.201 83 HA2 GLY 10 2HA GLY 10 11.759 1.835 -2.273 84 HA3 GLY 10 1HA GLY 10 11.567 0.076 -2.256 85 H VAL 11 H VAL 11 8.895 0.215 -1.098 86 HA VAL 11 HA VAL 11 7.341 1.615 -3.046 87 HB VAL 11 HB VAL 11 7.593 -0.504 -4.209 88 HG11 VAL 11 1HG1 VAL 11 8.240 -1.931 -2.353 89 HG12 VAL 11 2HG1 VAL 11 6.924 -2.650 -3.284 90 HG13 VAL 11 3HG1 VAL 11 6.588 -1.882 -1.732 91 HG21 VAL 11 3HG2 VAL 11 4.872 -0.373 -2.918 92 HG22 VAL 11 1HG2 VAL 11 5.258 -1.247 -4.401 93 HG23 VAL 11 2HG2 VAL 11 5.384 0.517 -4.347 94 H ABA 12 H ABA 12 6.130 2.820 -1.895 95 HA ABA 12 HA ABA 12 4.800 1.703 0.474 96 HB3 ABA 12 1HB ABA 12 4.835 4.006 1.411 97 HB2 ABA 12 2HB ABA 12 5.831 4.522 0.058 98 HG1 ABA 12 3HG ABA 12 7.597 2.992 0.766 99 HG3 ABA 12 1HG ABA 12 6.615 2.498 2.143 100 HG2 ABA 12 2HG ABA 12 7.195 4.162 2.022 101 H ARG 13 H ARG 13 2.872 1.268 -0.438 102 HA ARG 13 HA ARG 13 1.580 3.306 -2.095 103 HB2 ARG 13 2HB ARG 13 1.540 0.924 -2.825 104 HB3 ARG 13 1HB ARG 13 0.644 0.522 -1.370 105 HG2 ARG 13 2HG ARG 13 -1.175 1.943 -2.082 106 HG3 ARG 13 1HG ARG 13 -0.308 2.335 -3.572 107 HD2 ARG 13 2HD ARG 13 -1.891 0.623 -4.057 108 HD3 ARG 13 1HD ARG 13 -0.290 -0.109 -4.077 109 HE ARG 13 HE ARG 13 -1.802 -0.282 -1.598 110 HH11 ARG 13 1HH1 ARG 13 -0.551 -1.958 -4.449 111 HH12 ARG 13 2HH1 ARG 13 -1.132 -3.489 -3.990 112 HH21 ARG 13 1HH2 ARG 13 -2.574 -2.378 -0.945 113 HH22 ARG 13 2HH2 ARG 13 -2.311 -3.740 -1.920 114 H ABA 14 H ABA 14 0.978 4.856 -0.673 115 HA ABA 14 HA ABA 14 -0.376 4.090 1.787 116 HB3 ABA 14 1HB ABA 14 1.448 5.609 2.100 117 HB2 ABA 14 2HB ABA 14 -0.047 6.467 2.451 118 HG1 ABA 14 3HG ABA 14 1.540 6.678 -0.097 119 HG3 ABA 14 1HG ABA 14 1.492 7.871 1.203 120 HG2 ABA 14 2HG ABA 14 0.040 7.531 0.261 121 H VAL 15 H VAL 15 -1.933 3.716 -0.462 122 HA VAL 15 HA VAL 15 -3.935 5.837 -0.146 123 HB VAL 15 HB VAL 15 -4.866 5.201 -2.330 124 HG11 VAL 15 1HG1 VAL 15 -3.244 7.009 -2.280 125 HG12 VAL 15 2HG1 VAL 15 -3.074 6.089 -3.775 126 HG13 VAL 15 3HG1 VAL 15 -1.922 5.854 -2.459 127 HG21 VAL 15 3HG2 VAL 15 -4.163 2.858 -2.370 128 HG22 VAL 15 1HG2 VAL 15 -2.489 3.367 -2.572 129 HG23 VAL 15 2HG2 VAL 15 -3.665 3.693 -3.845 130 H ABA 16 H ABA 16 -6.244 4.970 -0.359 131 HA ABA 16 HA ABA 16 -6.499 2.188 0.344 132 HB3 ABA 16 1HB ABA 16 -7.445 4.341 2.252 133 HB2 ABA 16 2HB ABA 16 -6.006 3.362 2.495 134 HG1 ABA 16 3HG ABA 16 -7.875 2.553 3.812 135 HG3 ABA 16 1HG ABA 16 -7.361 1.358 2.622 136 HG2 ABA 16 2HG ABA 16 -8.813 2.315 2.336 137 H ARG 17 H ARG 17 -7.597 2.206 -1.692 138 HA ARG 17 HA ARG 17 -10.392 2.967 -1.398 139 HB2 ARG 17 2HB ARG 17 -8.786 3.577 -3.876 140 HB3 ARG 17 1HB ARG 17 -10.521 3.688 -3.754 141 HG2 ARG 17 2HG ARG 17 -10.195 5.468 -2.026 142 HG3 ARG 17 1HG ARG 17 -8.466 5.408 -2.395 143 HD2 ARG 17 2HD ARG 17 -10.696 6.033 -4.333 144 HD3 ARG 17 1HD ARG 17 -9.522 7.178 -3.693 145 HE ARG 17 HE ARG 17 -7.974 5.321 -4.843 146 HH11 ARG 17 1HH1 ARG 17 -10.739 7.152 -6.091 147 HH12 ARG 17 2HH1 ARG 17 -10.183 7.149 -7.703 148 HH21 ARG 17 1HH2 ARG 17 -7.254 5.309 -7.010 149 HH22 ARG 17 2HH2 ARG 17 -8.119 6.088 -8.254 150 H ARG 18 H ARG 18 -11.678 1.345 -1.986 151 HA ARG 18 HA ARG 18 -12.535 -0.527 -2.902 152 HB2 ARG 18 2HB ARG 18 -10.945 0.417 -5.252 153 HB3 ARG 18 1HB ARG 18 -12.346 -0.659 -5.348 154 HG2 ARG 18 2HG ARG 18 -13.733 1.181 -4.450 155 HG3 ARG 18 1HG ARG 18 -12.309 2.212 -4.422 156 HD2 ARG 18 2HD ARG 18 -12.101 1.869 -6.876 157 HD3 ARG 18 1HD ARG 18 -13.627 0.987 -6.837 158 HE ARG 18 HE ARG 18 -13.385 3.777 -5.944 159 HH11 ARG 18 1HH1 ARG 18 -15.105 1.310 -7.865 160 HH12 ARG 18 2HH1 ARG 18 -16.317 2.391 -8.351 161 HH21 ARG 18 1HH2 ARG 18 -15.053 5.232 -6.719 162 HH22 ARG 18 2HH2 ARG 18 -16.294 4.647 -7.718 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.520 0.732 -0.433 2 HA2 GLY 1 2HA GLY 1 -11.488 -0.689 1.471 3 HA3 GLY 1 1HA GLY 1 -11.975 -2.029 0.441 4 H VAL 2 H VAL 2 -9.874 -1.116 -1.524 5 HA VAL 2 HA VAL 2 -7.762 -2.731 -0.417 6 HB VAL 2 HB VAL 2 -7.964 -1.423 -3.154 7 HG11 VAL 2 1HG1 VAL 2 -5.650 -1.896 -2.502 8 HG12 VAL 2 2HG1 VAL 2 -6.168 -2.960 -3.811 9 HG13 VAL 2 3HG1 VAL 2 -6.084 -3.569 -2.158 10 HG21 VAL 2 3HG2 VAL 2 -8.530 -4.258 -2.298 11 HG22 VAL 2 1HG2 VAL 2 -8.527 -3.675 -3.964 12 HG23 VAL 2 2HG2 VAL 2 -9.721 -3.069 -2.812 13 H ABA 3 H ABA 3 -6.943 -1.568 1.083 14 HA ABA 3 HA ABA 3 -5.775 1.044 0.493 15 HB3 ABA 3 1HB ABA 3 -6.094 -0.388 3.149 16 HB2 ABA 3 2HB ABA 3 -7.270 0.734 2.499 17 HG1 ABA 3 3HG ABA 3 -5.951 1.796 4.199 18 HG3 ABA 3 1HG ABA 3 -5.642 2.546 2.635 19 HG2 ABA 3 2HG ABA 3 -4.469 1.424 3.326 20 H ARG 4 H ARG 4 -3.614 1.307 1.742 21 HA ARG 4 HA ARG 4 -1.545 0.060 0.466 22 HB2 ARG 4 2HB ARG 4 -1.110 2.090 1.520 23 HB3 ARG 4 1HB ARG 4 -1.743 1.540 3.055 24 HG2 ARG 4 2HG ARG 4 0.217 0.100 3.347 25 HG3 ARG 4 1HG ARG 4 0.857 0.656 1.804 26 HD2 ARG 4 2HD ARG 4 1.231 2.816 2.605 27 HD3 ARG 4 1HD ARG 4 0.140 2.598 3.973 28 HE ARG 4 HE ARG 4 2.045 0.764 4.410 29 HH11 ARG 4 1HH1 ARG 4 2.366 4.215 3.652 30 HH12 ARG 4 2HH1 ARG 4 3.619 4.487 4.771 31 HH21 ARG 4 1HH2 ARG 4 3.713 1.141 5.956 32 HH22 ARG 4 2HH2 ARG 4 4.416 2.687 6.142 33 H ABA 5 H ABA 5 -0.866 -1.947 0.459 34 HA ABA 5 HA ABA 5 -0.641 -3.416 2.990 35 HB3 ABA 5 1HB ABA 5 -1.002 -5.531 1.711 36 HB2 ABA 5 2HB ABA 5 -1.299 -4.587 0.265 37 HG1 ABA 5 3HG ABA 5 -2.989 -4.537 2.744 38 HG3 ABA 5 1HG ABA 5 -3.364 -5.388 1.245 39 HG2 ABA 5 2HG ABA 5 -3.280 -3.627 1.264 40 H VAL 6 H VAL 6 1.136 -1.708 1.617 41 HA VAL 6 HA VAL 6 3.350 -3.566 1.012 42 HB VAL 6 HB VAL 6 2.959 -0.962 -0.445 43 HG11 VAL 6 1HG1 VAL 6 4.661 -1.826 -1.999 44 HG12 VAL 6 2HG1 VAL 6 4.826 -3.257 -0.986 45 HG13 VAL 6 3HG1 VAL 6 5.251 -1.672 -0.344 46 HG21 VAL 6 3HG2 VAL 6 1.139 -2.420 -1.138 47 HG22 VAL 6 1HG2 VAL 6 2.282 -3.721 -1.469 48 HG23 VAL 6 2HG2 VAL 6 2.304 -2.256 -2.453 49 H ABA 7 H ABA 7 5.019 -3.111 2.250 50 HA ABA 7 HA ABA 7 5.489 -0.368 3.093 51 HB3 ABA 7 1HB ABA 7 5.562 -2.666 5.061 52 HB2 ABA 7 2HB ABA 7 4.199 -1.570 4.898 53 HG1 ABA 7 3HG ABA 7 5.582 -0.922 6.778 54 HG3 ABA 7 1HG ABA 7 5.652 0.312 5.524 55 HG2 ABA 7 2HG ABA 7 6.998 -0.812 5.732 56 H ARG 8 H ARG 8 6.958 -1.035 1.210 57 HA ARG 8 HA ARG 8 9.332 -2.397 2.125 58 HB2 ARG 8 2HB ARG 8 8.467 -1.312 -0.552 59 HB3 ARG 8 1HB ARG 8 10.050 -2.034 -0.265 60 HG2 ARG 8 2HG ARG 8 8.957 -4.148 0.307 61 HG3 ARG 8 1HG ARG 8 7.382 -3.407 0.012 62 HD2 ARG 8 2HD ARG 8 8.136 -4.715 -1.917 63 HD3 ARG 8 1HD ARG 8 7.984 -3.000 -2.306 64 HE ARG 8 HE ARG 8 10.615 -3.825 -1.487 65 HH11 ARG 8 1HH1 ARG 8 8.455 -3.480 -4.260 66 HH12 ARG 8 2HH1 ARG 8 9.701 -3.325 -5.401 67 HH21 ARG 8 1HH2 ARG 8 12.334 -3.617 -3.032 68 HH22 ARG 8 2HH2 ARG 8 11.991 -3.404 -4.678 69 H ARG 9 H ARG 9 11.253 -1.307 2.126 70 HA ARG 9 HA ARG 9 11.031 1.287 3.227 71 HB2 ARG 9 2HB ARG 9 13.522 -0.236 2.503 72 HB3 ARG 9 1HB ARG 9 13.483 1.243 3.447 73 HG2 ARG 9 2HG ARG 9 12.178 -1.355 4.215 74 HG3 ARG 9 1HG ARG 9 13.685 -0.725 4.882 75 HD2 ARG 9 2HD ARG 9 12.464 1.243 5.720 76 HD3 ARG 9 1HD ARG 9 10.969 0.569 5.081 77 HE ARG 9 HE ARG 9 11.893 -1.393 6.631 78 HH11 ARG 9 1HH1 ARG 9 11.269 2.029 7.202 79 HH12 ARG 9 2HH1 ARG 9 10.954 1.833 8.863 80 HH21 ARG 9 1HH2 ARG 9 11.469 -1.666 8.909 81 HH22 ARG 9 2HH2 ARG 9 11.090 -0.325 9.863 82 H GLY 10 H GLY 10 10.454 2.871 2.017 83 HA2 GLY 10 2HA GLY 10 11.120 4.693 0.671 84 HA3 GLY 10 1HA GLY 10 12.198 3.612 -0.212 85 H VAL 11 H VAL 11 9.626 1.783 0.087 86 HA VAL 11 HA VAL 11 8.202 2.892 -2.210 87 HB VAL 11 HB VAL 11 8.923 -0.069 -2.007 88 HG11 VAL 11 1HG1 VAL 11 8.181 -0.198 -4.345 89 HG12 VAL 11 2HG1 VAL 11 7.754 1.507 -4.300 90 HG13 VAL 11 3HG1 VAL 11 6.898 0.357 -3.270 91 HG21 VAL 11 3HG2 VAL 11 10.534 0.266 -3.829 92 HG22 VAL 11 1HG2 VAL 11 10.980 1.198 -2.400 93 HG23 VAL 11 2HG2 VAL 11 10.232 2.001 -3.783 94 H ABA 12 H ABA 12 7.213 3.353 0.092 95 HA ABA 12 HA ABA 12 5.425 1.219 0.929 96 HB3 ABA 12 1HB ABA 12 4.607 2.895 2.606 97 HB2 ABA 12 2HB ABA 12 5.708 4.082 1.919 98 HG1 ABA 12 3HG ABA 12 6.606 3.142 3.954 99 HG3 ABA 12 1HG ABA 12 7.611 2.705 2.574 100 HG2 ABA 12 2HG ABA 12 6.509 1.520 3.272 101 H ARG 13 H ARG 13 4.301 0.969 -0.932 102 HA ARG 13 HA ARG 13 3.130 3.019 -2.460 103 HB2 ARG 13 2HB ARG 13 3.608 0.656 -3.207 104 HB3 ARG 13 1HB ARG 13 2.206 0.148 -2.281 105 HG2 ARG 13 2HG ARG 13 1.555 0.335 -4.566 106 HG3 ARG 13 1HG ARG 13 0.813 1.670 -3.686 107 HD2 ARG 13 2HD ARG 13 1.735 2.431 -5.811 108 HD3 ARG 13 1HD ARG 13 2.597 3.175 -4.467 109 HE ARG 13 HE ARG 13 3.735 0.740 -5.588 110 HH11 ARG 13 1HH1 ARG 13 3.863 4.287 -5.533 111 HH12 ARG 13 2HH1 ARG 13 5.432 4.371 -6.154 112 HH21 ARG 13 1HH2 ARG 13 5.899 0.870 -6.395 113 HH22 ARG 13 2HH2 ARG 13 6.628 2.394 -6.659 114 H ABA 14 H ABA 14 1.655 4.363 -1.677 115 HA ABA 14 HA ABA 14 -0.298 3.405 0.234 116 HB3 ABA 14 1HB ABA 14 -0.945 5.804 0.417 117 HB2 ABA 14 2HB ABA 14 0.283 6.196 -0.783 118 HG1 ABA 14 3HG ABA 14 1.082 6.663 1.454 119 HG3 ABA 14 1HG ABA 14 2.016 5.360 0.725 120 HG2 ABA 14 2HG ABA 14 0.781 4.998 1.932 121 H VAL 15 H VAL 15 -2.371 3.086 -0.265 122 HA VAL 15 HA VAL 15 -3.556 4.164 -2.594 123 HB VAL 15 HB VAL 15 -2.379 2.220 -3.558 124 HG11 VAL 15 1HG1 VAL 15 -2.126 0.803 -1.640 125 HG12 VAL 15 2HG1 VAL 15 -2.954 -0.098 -2.912 126 HG13 VAL 15 3HG1 VAL 15 -3.869 0.548 -1.546 127 HG21 VAL 15 3HG2 VAL 15 -4.502 2.751 -4.578 128 HG22 VAL 15 1HG2 VAL 15 -5.361 1.778 -3.383 129 HG23 VAL 15 2HG2 VAL 15 -4.305 0.999 -4.555 130 H ABA 16 H ABA 16 -5.789 3.933 -2.425 131 HA ABA 16 HA ABA 16 -7.008 2.335 -0.399 132 HB3 ABA 16 1HB ABA 16 -7.187 5.357 -0.097 133 HB2 ABA 16 2HB ABA 16 -6.217 4.322 0.943 134 HG1 ABA 16 3HG ABA 16 -9.207 4.216 0.665 135 HG3 ABA 16 1HG ABA 16 -8.311 4.927 2.008 136 HG2 ABA 16 2HG ABA 16 -8.224 3.188 1.707 137 H ARG 17 H ARG 17 -7.930 1.523 -2.225 138 HA ARG 17 HA ARG 17 -10.005 3.203 -3.394 139 HB2 ARG 17 2HB ARG 17 -8.264 1.245 -4.903 140 HB3 ARG 17 1HB ARG 17 -9.652 2.084 -5.565 141 HG2 ARG 17 2HG ARG 17 -7.104 3.364 -4.600 142 HG3 ARG 17 1HG ARG 17 -7.560 3.106 -6.288 143 HD2 ARG 17 2HD ARG 17 -8.995 4.869 -4.291 144 HD3 ARG 17 1HD ARG 17 -7.967 5.415 -5.614 145 HE ARG 17 HE ARG 17 -9.796 3.946 -6.879 146 HH11 ARG 17 1HH1 ARG 17 -10.081 6.593 -4.561 147 HH12 ARG 17 2HH1 ARG 17 -11.577 7.150 -5.151 148 HH21 ARG 17 1HH2 ARG 17 -11.922 4.724 -7.694 149 HH22 ARG 17 2HH2 ARG 17 -12.626 6.079 -6.954 150 H ARG 18 H ARG 18 -11.799 2.383 -2.683 151 HA ARG 18 HA ARG 18 -13.535 1.024 -2.223 152 HB2 ARG 18 2HB ARG 18 -12.248 -0.620 -4.365 153 HB3 ARG 18 1HB ARG 18 -13.905 -0.865 -3.818 154 HG2 ARG 18 2HG ARG 18 -14.429 1.427 -4.601 155 HG3 ARG 18 1HG ARG 18 -12.771 1.570 -5.196 156 HD2 ARG 18 2HD ARG 18 -14.215 0.980 -7.027 157 HD3 ARG 18 1HD ARG 18 -13.172 -0.395 -6.649 158 HE ARG 18 HE ARG 18 -15.857 -0.261 -5.524 159 HH11 ARG 18 1HH1 ARG 18 -13.626 -1.824 -7.805 160 HH12 ARG 18 2HH1 ARG 18 -14.648 -3.139 -8.129 161 HH21 ARG 18 1HH2 ARG 18 -17.258 -2.083 -5.978 162 HH22 ARG 18 2HH2 ARG 18 -16.778 -3.290 -7.062 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.585 -0.464 -0.633 2 HA2 GLY 1 2HA GLY 1 -11.517 -2.786 -0.710 3 HA3 GLY 1 1HA GLY 1 -11.534 -2.577 -2.457 4 H VAL 2 H VAL 2 -9.048 -1.021 -2.369 5 HA VAL 2 HA VAL 2 -7.196 -3.248 -1.982 6 HB VAL 2 HB VAL 2 -7.016 -1.113 -4.132 7 HG11 VAL 2 1HG1 VAL 2 -5.266 -3.527 -3.662 8 HG12 VAL 2 2HG1 VAL 2 -4.816 -1.852 -3.367 9 HG13 VAL 2 3HG1 VAL 2 -5.129 -2.401 -5.014 10 HG21 VAL 2 3HG2 VAL 2 -8.786 -2.718 -4.599 11 HG22 VAL 2 1HG2 VAL 2 -7.657 -4.053 -4.382 12 HG23 VAL 2 2HG2 VAL 2 -7.446 -2.927 -5.726 13 H ABA 3 H ABA 3 -6.616 -2.611 0.027 14 HA ABA 3 HA ABA 3 -5.098 -0.108 0.206 15 HB3 ABA 3 1HB ABA 3 -5.598 -0.121 2.658 16 HB2 ABA 3 2HB ABA 3 -6.658 -1.500 2.406 17 HG1 ABA 3 3HG ABA 3 -7.047 1.237 1.225 18 HG3 ABA 3 1HG ABA 3 -7.927 0.556 2.593 19 HG2 ABA 3 2HG ABA 3 -8.102 -0.155 0.985 20 H ARG 4 H ARG 4 -3.245 -1.057 -0.409 21 HA ARG 4 HA ARG 4 -2.263 -3.510 0.699 22 HB2 ARG 4 2HB ARG 4 -0.811 -1.393 -0.903 23 HB3 ARG 4 1HB ARG 4 -0.226 -3.013 -0.563 24 HG2 ARG 4 2HG ARG 4 -1.990 -3.981 -1.875 25 HG3 ARG 4 1HG ARG 4 -2.701 -2.388 -2.160 26 HD2 ARG 4 2HD ARG 4 -0.641 -1.702 -3.311 27 HD3 ARG 4 1HD ARG 4 0.029 -3.312 -3.051 28 HE ARG 4 HE ARG 4 -2.380 -3.670 -4.340 29 HH11 ARG 4 1HH1 ARG 4 0.758 -2.143 -5.085 30 HH12 ARG 4 2HH1 ARG 4 0.586 -2.365 -6.759 31 HH21 ARG 4 1HH2 ARG 4 -2.571 -3.923 -6.675 32 HH22 ARG 4 2HH2 ARG 4 -1.310 -3.395 -7.678 33 H ABA 5 H ABA 5 -1.311 -3.710 2.624 34 HA ABA 5 HA ABA 5 -0.448 -1.327 4.014 35 HB3 ABA 5 1HB ABA 5 -1.736 -2.814 5.393 36 HB2 ABA 5 2HB ABA 5 -0.083 -2.912 5.968 37 HG1 ABA 5 3HG ABA 5 -1.066 -5.096 5.961 38 HG3 ABA 5 1HG ABA 5 0.212 -5.026 4.754 39 HG2 ABA 5 2HG ABA 5 -1.481 -4.950 4.257 40 H VAL 6 H VAL 6 1.113 -1.204 2.208 41 HA VAL 6 HA VAL 6 3.384 -2.941 2.474 42 HB VAL 6 HB VAL 6 4.319 -1.677 0.467 43 HG11 VAL 6 1HG1 VAL 6 2.807 -2.848 -1.091 44 HG12 VAL 6 2HG1 VAL 6 1.674 -3.106 0.238 45 HG13 VAL 6 3HG1 VAL 6 3.267 -3.854 0.283 46 HG21 VAL 6 3HG2 VAL 6 2.983 0.361 0.650 47 HG22 VAL 6 1HG2 VAL 6 1.506 -0.575 0.438 48 HG23 VAL 6 2HG2 VAL 6 2.653 -0.448 -0.885 49 H ABA 7 H ABA 7 5.224 -2.581 3.349 50 HA ABA 7 HA ABA 7 6.094 0.115 3.911 51 HB3 ABA 7 1HB ABA 7 5.308 -0.630 6.051 52 HB2 ABA 7 2HB ABA 7 7.063 -0.837 6.037 53 HG1 ABA 7 3HG ABA 7 6.009 -2.722 7.122 54 HG3 ABA 7 1HG ABA 7 6.824 -3.214 5.640 55 HG2 ABA 7 2HG ABA 7 5.068 -3.049 5.669 56 H ARG 8 H ARG 8 6.983 -0.680 1.726 57 HA ARG 8 HA ARG 8 9.385 -2.278 2.123 58 HB2 ARG 8 2HB ARG 8 8.097 -1.602 -0.523 59 HB3 ARG 8 1HB ARG 8 9.253 -2.866 -0.176 60 HG2 ARG 8 2HG ARG 8 6.364 -2.838 0.700 61 HG3 ARG 8 1HG ARG 8 7.038 -3.800 -0.610 62 HD2 ARG 8 2HD ARG 8 7.860 -4.017 2.289 63 HD3 ARG 8 1HD ARG 8 6.676 -5.054 1.510 64 HE ARG 8 HE ARG 8 8.769 -5.390 -0.076 65 HH11 ARG 8 1HH1 ARG 8 8.611 -5.419 3.508 66 HH12 ARG 8 2HH1 ARG 8 9.813 -6.600 3.647 67 HH21 ARG 8 1HH2 ARG 8 10.415 -7.081 0.222 68 HH22 ARG 8 2HH2 ARG 8 10.833 -7.550 1.796 69 H ARG 9 H ARG 9 11.211 -1.420 0.959 70 HA ARG 9 HA ARG 9 11.369 1.423 1.269 71 HB2 ARG 9 2HB ARG 9 13.439 -0.599 0.389 72 HB3 ARG 9 1HB ARG 9 13.776 1.113 0.568 73 HG2 ARG 9 2HG ARG 9 13.261 1.043 2.903 74 HG3 ARG 9 1HG ARG 9 12.733 -0.631 2.777 75 HD2 ARG 9 2HD ARG 9 14.921 -0.516 3.752 76 HD3 ARG 9 1HD ARG 9 15.027 -1.280 2.165 77 HE ARG 9 HE ARG 9 15.626 1.300 1.654 78 HH11 ARG 9 1HH1 ARG 9 16.815 -0.944 4.141 79 HH12 ARG 9 2HH1 ARG 9 18.381 -0.281 4.174 80 HH21 ARG 9 1HH2 ARG 9 17.782 2.186 1.695 81 HH22 ARG 9 2HH2 ARG 9 18.953 1.540 2.747 82 H GLY 10 H GLY 10 10.388 2.569 -0.108 83 HA2 GLY 10 2HA GLY 10 10.628 3.707 -2.237 84 HA3 GLY 10 1HA GLY 10 10.848 2.119 -2.970 85 H VAL 11 H VAL 11 8.741 1.227 -0.916 86 HA VAL 11 HA VAL 11 6.374 2.127 -2.397 87 HB VAL 11 HB VAL 11 6.854 -0.783 -1.681 88 HG11 VAL 11 1HG1 VAL 11 4.956 -1.243 -3.131 89 HG12 VAL 11 2HG1 VAL 11 4.729 0.493 -3.352 90 HG13 VAL 11 3HG1 VAL 11 4.551 -0.221 -1.751 91 HG21 VAL 11 3HG2 VAL 11 8.447 -0.187 -3.429 92 HG22 VAL 11 1HG2 VAL 11 7.144 0.497 -4.398 93 HG23 VAL 11 2HG2 VAL 11 7.188 -1.236 -4.078 94 H ABA 12 H ABA 12 5.708 3.318 -0.614 95 HA ABA 12 HA ABA 12 5.133 1.778 1.808 96 HB3 ABA 12 1HB ABA 12 4.898 3.970 2.935 97 HB2 ABA 12 2HB ABA 12 5.330 4.782 1.441 98 HG1 ABA 12 3HG ABA 12 7.537 3.712 1.516 99 HG3 ABA 12 1HG ABA 12 7.097 2.934 3.033 100 HG2 ABA 12 2HG ABA 12 7.222 4.690 2.952 101 H ARG 13 H ARG 13 3.159 2.043 2.754 102 HA ARG 13 HA ARG 13 0.959 1.738 1.128 103 HB2 ARG 13 2HB ARG 13 -0.378 1.791 3.204 104 HB3 ARG 13 1HB ARG 13 1.062 0.796 3.365 105 HG2 ARG 13 2HG ARG 13 2.172 2.583 4.614 106 HG3 ARG 13 1HG ARG 13 0.756 3.615 4.410 107 HD2 ARG 13 2HD ARG 13 0.572 2.738 6.575 108 HD3 ARG 13 1HD ARG 13 -0.545 1.791 5.606 109 HE ARG 13 HE ARG 13 2.134 0.749 6.044 110 HH11 ARG 13 1HH1 ARG 13 -1.338 0.461 6.689 111 HH12 ARG 13 2HH1 ARG 13 -1.188 -0.937 7.645 112 HH21 ARG 13 1HH2 ARG 13 2.323 -1.198 7.410 113 HH22 ARG 13 2HH2 ARG 13 0.895 -1.871 8.057 114 H ABA 14 H ABA 14 0.334 3.285 -0.244 115 HA ABA 14 HA ABA 14 -1.032 5.546 0.902 116 HB3 ABA 14 1HB ABA 14 1.040 6.041 -1.266 117 HB2 ABA 14 2HB ABA 14 1.367 6.322 0.438 118 HG1 ABA 14 3HG ABA 14 0.800 8.396 -0.727 119 HG3 ABA 14 1HG ABA 14 -0.388 8.003 0.520 120 HG2 ABA 14 2HG ABA 14 -0.765 7.708 -1.171 121 H VAL 15 H VAL 15 -2.064 3.346 -0.081 122 HA VAL 15 HA VAL 15 -2.914 3.939 -2.838 123 HB VAL 15 HB VAL 15 -3.392 1.417 -1.357 124 HG11 VAL 15 1HG1 VAL 15 -3.325 2.011 -4.303 125 HG12 VAL 15 2HG1 VAL 15 -4.741 1.674 -3.301 126 HG13 VAL 15 3HG1 VAL 15 -3.561 0.404 -3.610 127 HG21 VAL 15 3HG2 VAL 15 -0.978 1.652 -1.329 128 HG22 VAL 15 1HG2 VAL 15 -0.970 1.965 -3.064 129 HG23 VAL 15 2HG2 VAL 15 -1.422 0.372 -2.460 130 H ABA 16 H ABA 16 -4.673 5.068 -2.644 131 HA ABA 16 HA ABA 16 -6.589 4.484 -0.514 132 HB3 ABA 16 1HB ABA 16 -7.566 6.697 -1.086 133 HB2 ABA 16 2HB ABA 16 -6.288 6.915 -2.265 134 HG1 ABA 16 3HG ABA 16 -5.775 8.109 -0.220 135 HG3 ABA 16 1HG ABA 16 -4.614 6.808 -0.481 136 HG2 ABA 16 2HG ABA 16 -5.905 6.613 0.704 137 H ARG 17 H ARG 17 -6.919 2.560 -2.002 138 HA ARG 17 HA ARG 17 -8.971 3.202 -3.973 139 HB2 ARG 17 2HB ARG 17 -7.265 0.752 -3.633 140 HB3 ARG 17 1HB ARG 17 -8.576 0.866 -4.800 141 HG2 ARG 17 2HG ARG 17 -6.015 2.457 -4.766 142 HG3 ARG 17 1HG ARG 17 -6.434 1.148 -5.872 143 HD2 ARG 17 2HD ARG 17 -8.336 2.514 -6.667 144 HD3 ARG 17 1HD ARG 17 -7.766 3.835 -5.640 145 HE ARG 17 HE ARG 17 -6.024 2.657 -7.673 146 HH11 ARG 17 1HH1 ARG 17 -7.689 5.560 -6.413 147 HH12 ARG 17 2HH1 ARG 17 -6.913 6.583 -7.523 148 HH21 ARG 17 1HH2 ARG 17 -5.033 4.106 -9.140 149 HH22 ARG 17 2HH2 ARG 17 -5.406 5.771 -9.077 150 H ARG 18 H ARG 18 -10.976 2.594 -3.412 151 HA ARG 18 HA ARG 18 -11.421 1.507 -0.823 152 HB2 ARG 18 2HB ARG 18 -13.377 1.934 -3.088 153 HB3 ARG 18 1HB ARG 18 -13.817 1.515 -1.439 154 HG2 ARG 18 2HG ARG 18 -12.415 4.032 -2.301 155 HG3 ARG 18 1HG ARG 18 -14.121 3.897 -1.880 156 HD2 ARG 18 2HD ARG 18 -13.440 3.167 0.410 157 HD3 ARG 18 1HD ARG 18 -11.757 3.449 -0.041 158 HE ARG 18 HE ARG 18 -13.123 5.769 -0.613 159 HH11 ARG 18 1HH1 ARG 18 -12.414 3.933 2.335 160 HH12 ARG 18 2HH1 ARG 18 -12.495 5.292 3.345 161 HH21 ARG 18 1HH2 ARG 18 -13.242 7.584 0.761 162 HH22 ARG 18 2HH2 ARG 18 -12.977 7.438 2.445 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -11.192 -1.834 -0.958 2 HA2 GLY 1 2HA GLY 1 -11.861 -3.784 -2.382 3 HA3 GLY 1 1HA GLY 1 -11.906 -2.621 -3.710 4 H VAL 2 H VAL 2 -9.673 -1.141 -2.895 5 HA VAL 2 HA VAL 2 -7.500 -3.040 -3.026 6 HB VAL 2 HB VAL 2 -6.269 -1.433 -4.633 7 HG11 VAL 2 1HG1 VAL 2 -7.046 -3.618 -5.341 8 HG12 VAL 2 2HG1 VAL 2 -7.290 -2.436 -6.631 9 HG13 VAL 2 3HG1 VAL 2 -8.655 -2.968 -5.653 10 HG21 VAL 2 3HG2 VAL 2 -9.102 -0.488 -5.121 11 HG22 VAL 2 1HG2 VAL 2 -7.716 -0.125 -6.150 12 HG23 VAL 2 2HG2 VAL 2 -7.757 0.470 -4.500 13 H ABA 3 H ABA 3 -7.260 -2.668 -0.882 14 HA ABA 3 HA ABA 3 -6.186 -0.046 -0.189 15 HB3 ABA 3 1HB ABA 3 -7.030 -2.317 1.638 16 HB2 ABA 3 2HB ABA 3 -8.015 -0.904 1.271 17 HG1 ABA 3 3HG ABA 3 -6.958 -0.668 3.440 18 HG3 ABA 3 1HG ABA 3 -6.332 0.537 2.317 19 HG2 ABA 3 2HG ABA 3 -5.369 -0.887 2.708 20 H ARG 4 H ARG 4 -4.103 0.044 -0.427 21 HA ARG 4 HA ARG 4 -2.469 -2.277 0.258 22 HB2 ARG 4 2HB ARG 4 -2.161 -0.446 -2.115 23 HB3 ARG 4 1HB ARG 4 -0.918 -1.555 -1.574 24 HG2 ARG 4 2HG ARG 4 -2.416 -3.448 -1.940 25 HG3 ARG 4 1HG ARG 4 -3.688 -2.346 -2.466 26 HD2 ARG 4 2HD ARG 4 -2.533 -3.423 -4.347 27 HD3 ARG 4 1HD ARG 4 -2.352 -1.667 -4.357 28 HE ARG 4 HE ARG 4 -0.131 -1.875 -3.866 29 HH11 ARG 4 1HH1 ARG 4 -1.597 -5.096 -3.855 30 HH12 ARG 4 2HH1 ARG 4 -0.126 -5.920 -4.079 31 HH21 ARG 4 1HH2 ARG 4 1.918 -3.041 -4.209 32 HH22 ARG 4 2HH2 ARG 4 1.891 -4.738 -4.278 33 H ABA 5 H ABA 5 -1.846 -1.546 2.143 34 HA ABA 5 HA ABA 5 -0.433 0.992 2.241 35 HB3 ABA 5 1HB ABA 5 -2.447 1.393 3.463 36 HB2 ABA 5 2HB ABA 5 -1.195 1.133 4.672 37 HG1 ABA 5 3HG ABA 5 -3.244 -0.899 3.816 38 HG3 ABA 5 1HG ABA 5 -3.258 0.028 5.313 39 HG2 ABA 5 2HG ABA 5 -1.979 -1.151 5.017 40 H VAL 6 H VAL 6 1.500 0.195 1.963 41 HA VAL 6 HA VAL 6 2.561 -1.477 4.045 42 HB VAL 6 HB VAL 6 1.865 -3.129 2.476 43 HG11 VAL 6 1HG1 VAL 6 3.470 -1.666 0.375 44 HG12 VAL 6 2HG1 VAL 6 1.712 -1.823 0.436 45 HG13 VAL 6 3HG1 VAL 6 2.713 -3.243 0.152 46 HG21 VAL 6 3HG2 VAL 6 4.017 -4.240 1.930 47 HG22 VAL 6 1HG2 VAL 6 3.948 -3.615 3.579 48 HG23 VAL 6 2HG2 VAL 6 4.850 -2.738 2.344 49 H ABA 7 H ABA 7 4.476 -0.964 4.591 50 HA ABA 7 HA ABA 7 5.916 1.086 3.104 51 HB3 ABA 7 1HB ABA 7 6.466 -0.158 5.816 52 HB2 ABA 7 2HB ABA 7 5.620 1.363 5.562 53 HG1 ABA 7 3HG ABA 7 7.937 1.715 6.260 54 HG3 ABA 7 1HG ABA 7 7.648 2.356 4.642 55 HG2 ABA 7 2HG ABA 7 8.495 0.826 4.844 56 H ARG 8 H ARG 8 6.972 0.118 1.437 57 HA ARG 8 HA ARG 8 8.315 -2.384 1.968 58 HB2 ARG 8 2HB ARG 8 7.999 -0.940 -0.666 59 HB3 ARG 8 1HB ARG 8 8.614 -2.564 -0.427 60 HG2 ARG 8 2HG ARG 8 6.318 -3.141 0.485 61 HG3 ARG 8 1HG ARG 8 5.795 -1.578 -0.149 62 HD2 ARG 8 2HD ARG 8 6.893 -3.929 -1.681 63 HD3 ARG 8 1HD ARG 8 5.289 -3.219 -1.799 64 HE ARG 8 HE ARG 8 7.336 -1.351 -2.456 65 HH11 ARG 8 1HH1 ARG 8 5.331 -3.974 -3.792 66 HH12 ARG 8 2HH1 ARG 8 5.679 -3.601 -5.403 67 HH21 ARG 8 1HH2 ARG 8 7.835 -0.882 -4.774 68 HH22 ARG 8 2HH2 ARG 8 7.110 -1.844 -5.959 69 H ARG 9 H ARG 9 10.440 -2.515 1.727 70 HA ARG 9 HA ARG 9 12.000 -0.192 2.250 71 HB2 ARG 9 2HB ARG 9 12.830 -3.030 1.592 72 HB3 ARG 9 1HB ARG 9 13.925 -1.772 2.153 73 HG2 ARG 9 2HG ARG 9 12.785 -1.638 4.264 74 HG3 ARG 9 1HG ARG 9 11.540 -2.752 3.705 75 HD2 ARG 9 2HD ARG 9 13.136 -3.860 5.171 76 HD3 ARG 9 1HD ARG 9 13.198 -4.533 3.547 77 HE ARG 9 HE ARG 9 15.178 -2.877 3.337 78 HH11 ARG 9 1HH1 ARG 9 14.368 -4.705 6.261 79 HH12 ARG 9 2HH1 ARG 9 15.987 -4.938 6.717 80 HH21 ARG 9 1HH2 ARG 9 17.396 -3.179 4.018 81 HH22 ARG 9 2HH2 ARG 9 17.733 -4.044 5.454 82 H GLY 10 H GLY 10 11.642 1.132 0.523 83 HA2 GLY 10 2HA GLY 10 13.324 1.553 -1.423 84 HA3 GLY 10 1HA GLY 10 12.385 0.242 -2.137 85 H VAL 11 H VAL 11 9.915 1.198 -0.665 86 HA VAL 11 HA VAL 11 9.244 3.751 -1.486 87 HB VAL 11 HB VAL 11 9.422 2.925 -3.801 88 HG11 VAL 11 1HG1 VAL 11 7.992 1.156 -4.676 89 HG12 VAL 11 2HG1 VAL 11 7.368 0.867 -3.051 90 HG13 VAL 11 3HG1 VAL 11 9.067 0.562 -3.407 91 HG21 VAL 11 3HG2 VAL 11 7.678 4.578 -3.392 92 HG22 VAL 11 1HG2 VAL 11 6.541 3.294 -2.991 93 HG23 VAL 11 2HG2 VAL 11 7.161 3.441 -4.635 94 H ABA 12 H ABA 12 7.542 4.310 -0.357 95 HA ABA 12 HA ABA 12 6.039 2.310 1.121 96 HB3 ABA 12 1HB ABA 12 5.070 4.225 2.310 97 HB2 ABA 12 2HB ABA 12 5.847 5.336 1.181 98 HG1 ABA 12 3HG ABA 12 7.034 5.212 3.316 99 HG3 ABA 12 1HG ABA 12 8.025 4.659 1.964 100 HG2 ABA 12 2HG ABA 12 7.292 3.483 3.045 101 H ARG 13 H ARG 13 3.882 1.826 0.772 102 HA ARG 13 HA ARG 13 2.551 3.248 -1.419 103 HB2 ARG 13 2HB ARG 13 2.345 0.318 -0.695 104 HB3 ARG 13 1HB ARG 13 1.442 1.118 -1.957 105 HG2 ARG 13 2HG ARG 13 4.435 0.719 -1.897 106 HG3 ARG 13 1HG ARG 13 3.280 -0.129 -2.932 107 HD2 ARG 13 2HD ARG 13 3.864 2.840 -2.971 108 HD3 ARG 13 1HD ARG 13 4.438 1.669 -4.147 109 HE ARG 13 HE ARG 13 1.936 1.249 -4.470 110 HH11 ARG 13 1HH1 ARG 13 3.312 4.465 -3.769 111 HH12 ARG 13 2HH1 ARG 13 2.123 5.276 -4.668 112 HH21 ARG 13 1HH2 ARG 13 0.318 2.441 -5.709 113 HH22 ARG 13 2HH2 ARG 13 0.424 4.131 -5.775 114 H ABA 14 H ABA 14 0.567 4.047 -0.907 115 HA ABA 14 HA ABA 14 -0.807 2.914 1.373 116 HB3 ABA 14 1HB ABA 14 -0.226 5.883 1.162 117 HB2 ABA 14 2HB ABA 14 0.602 4.785 2.257 118 HG1 ABA 14 3HG ABA 14 -2.337 5.429 2.317 119 HG3 ABA 14 1HG ABA 14 -1.117 6.049 3.425 120 HG2 ABA 14 2HG ABA 14 -1.503 4.331 3.414 121 H VAL 15 H VAL 15 -1.941 2.173 -0.529 122 HA VAL 15 HA VAL 15 -3.657 4.150 -1.813 123 HB VAL 15 HB VAL 15 -3.781 1.176 -2.146 124 HG11 VAL 15 1HG1 VAL 15 -4.708 3.399 -3.955 125 HG12 VAL 15 2HG1 VAL 15 -5.720 2.367 -2.949 126 HG13 VAL 15 3HG1 VAL 15 -4.834 1.674 -4.306 127 HG21 VAL 15 3HG2 VAL 15 -2.379 1.397 -4.182 128 HG22 VAL 15 1HG2 VAL 15 -1.504 1.833 -2.715 129 HG23 VAL 15 2HG2 VAL 15 -2.115 3.093 -3.788 130 H ABA 16 H ABA 16 -5.418 4.638 -0.820 131 HA ABA 16 HA ABA 16 -6.654 2.763 1.052 132 HB3 ABA 16 1HB ABA 16 -7.548 4.789 2.178 133 HB2 ABA 16 2HB ABA 16 -6.580 5.783 1.103 134 HG1 ABA 16 3HG ABA 16 -5.492 5.546 3.253 135 HG3 ABA 16 1HG ABA 16 -4.543 4.770 1.983 136 HG2 ABA 16 2HG ABA 16 -5.509 3.789 3.085 137 H ARG 17 H ARG 17 -7.803 1.897 -0.758 138 HA ARG 17 HA ARG 17 -10.158 3.473 -1.388 139 HB2 ARG 17 2HB ARG 17 -8.435 1.871 -3.249 140 HB3 ARG 17 1HB ARG 17 -10.124 2.199 -3.620 141 HG2 ARG 17 2HG ARG 17 -9.662 4.584 -3.618 142 HG3 ARG 17 1HG ARG 17 -7.982 4.265 -3.169 143 HD2 ARG 17 2HD ARG 17 -8.280 4.707 -5.588 144 HD3 ARG 17 1HD ARG 17 -7.586 3.126 -5.243 145 HE ARG 17 HE ARG 17 -10.433 3.056 -5.519 146 HH11 ARG 17 1HH1 ARG 17 -7.425 3.087 -7.398 147 HH12 ARG 17 2HH1 ARG 17 -8.048 2.188 -8.702 148 HH21 ARG 17 1HH2 ARG 17 -11.305 1.816 -7.338 149 HH22 ARG 17 2HH2 ARG 17 -10.306 1.415 -8.648 150 H ARG 18 H ARG 18 -11.986 2.178 -1.827 151 HA ARG 18 HA ARG 18 -12.156 -0.117 -0.115 152 HB2 ARG 18 2HB ARG 18 -14.179 1.258 -1.870 153 HB3 ARG 18 1HB ARG 18 -14.546 -0.097 -0.817 154 HG2 ARG 18 2HG ARG 18 -13.957 1.215 1.123 155 HG3 ARG 18 1HG ARG 18 -13.494 2.560 0.067 156 HD2 ARG 18 2HD ARG 18 -15.722 2.776 -0.739 157 HD3 ARG 18 1HD ARG 18 -16.243 1.343 0.143 158 HE ARG 18 HE ARG 18 -15.265 2.961 2.057 159 HH11 ARG 18 1HH1 ARG 18 -17.584 3.577 -0.531 160 HH12 ARG 18 2HH1 ARG 18 -18.655 4.481 0.424 161 HH21 ARG 18 1HH2 ARG 18 -16.696 4.262 3.392 162 HH22 ARG 18 2HH2 ARG 18 -18.105 4.926 2.719 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -10.197 -0.977 -0.638 2 HA2 GLY 1 2HA GLY 1 -11.346 -3.339 -1.261 3 HA3 GLY 1 1HA GLY 1 -11.127 -2.558 -2.830 4 H VAL 2 H VAL 2 -8.842 -1.126 -2.400 5 HA VAL 2 HA VAL 2 -6.844 -3.055 -1.644 6 HB VAL 2 HB VAL 2 -5.432 -2.308 -3.630 7 HG11 VAL 2 1HG1 VAL 2 -6.513 -3.814 -5.251 8 HG12 VAL 2 2HG1 VAL 2 -7.978 -3.795 -4.273 9 HG13 VAL 2 3HG1 VAL 2 -6.497 -4.495 -3.625 10 HG21 VAL 2 3HG2 VAL 2 -6.678 -0.289 -4.243 11 HG22 VAL 2 1HG2 VAL 2 -8.079 -1.273 -4.667 12 HG23 VAL 2 2HG2 VAL 2 -6.592 -1.405 -5.607 13 H ABA 3 H ABA 3 -5.782 -2.202 -0.132 14 HA ABA 3 HA ABA 3 -5.190 0.674 -0.161 15 HB3 ABA 3 1HB ABA 3 -5.001 0.530 2.326 16 HB2 ABA 3 2HB ABA 3 -5.529 -1.144 2.248 17 HG1 ABA 3 3HG ABA 3 -7.355 0.304 2.898 18 HG3 ABA 3 1HG ABA 3 -7.677 -0.427 1.327 19 HG2 ABA 3 2HG ABA 3 -7.155 1.252 1.426 20 H ARG 4 H ARG 4 -3.170 0.998 1.439 21 HA ARG 4 HA ARG 4 -1.000 -0.312 0.207 22 HB2 ARG 4 2HB ARG 4 0.439 0.753 1.989 23 HB3 ARG 4 1HB ARG 4 -0.499 1.854 1.004 24 HG2 ARG 4 2HG ARG 4 -2.042 2.223 2.786 25 HG3 ARG 4 1HG ARG 4 -1.284 0.964 3.766 26 HD2 ARG 4 2HD ARG 4 0.175 3.427 2.801 27 HD3 ARG 4 1HD ARG 4 -0.631 3.337 4.362 28 HE ARG 4 HE ARG 4 1.003 1.162 4.334 29 HH11 ARG 4 1HH1 ARG 4 1.715 4.576 3.698 30 HH12 ARG 4 2HH1 ARG 4 3.162 4.588 4.570 31 HH21 ARG 4 1HH2 ARG 4 3.023 1.182 5.492 32 HH22 ARG 4 2HH2 ARG 4 3.952 2.618 5.572 33 H ABA 5 H ABA 5 -0.916 -2.403 0.376 34 HA ABA 5 HA ABA 5 -0.953 -3.587 3.045 35 HB3 ABA 5 1HB ABA 5 -1.049 -5.785 1.867 36 HB2 ABA 5 2HB ABA 5 -0.991 -4.933 0.330 37 HG1 ABA 5 3HG ABA 5 -3.119 -3.860 0.837 38 HG3 ABA 5 1HG ABA 5 -3.184 -4.722 2.372 39 HG2 ABA 5 2HG ABA 5 -3.251 -5.621 0.858 40 H VAL 6 H VAL 6 1.117 -2.006 1.877 41 HA VAL 6 HA VAL 6 3.329 -3.847 2.254 42 HB VAL 6 HB VAL 6 4.619 -2.593 0.488 43 HG11 VAL 6 1HG1 VAL 6 2.224 -4.185 -0.444 44 HG12 VAL 6 2HG1 VAL 6 3.780 -4.846 0.058 45 HG13 VAL 6 3HG1 VAL 6 3.669 -3.868 -1.407 46 HG21 VAL 6 3HG2 VAL 6 3.191 -0.634 0.258 47 HG22 VAL 6 1HG2 VAL 6 1.872 -1.641 -0.339 48 HG23 VAL 6 2HG2 VAL 6 3.343 -1.453 -1.293 49 H ABA 7 H ABA 7 4.721 -3.140 3.708 50 HA ABA 7 HA ABA 7 5.000 -0.282 4.022 51 HB3 ABA 7 1HB ABA 7 3.874 -0.973 6.026 52 HB2 ABA 7 2HB ABA 7 5.581 -0.800 6.425 53 HG1 ABA 7 3HG ABA 7 4.201 -3.409 5.937 54 HG3 ABA 7 1HG ABA 7 4.640 -2.744 7.507 55 HG2 ABA 7 2HG ABA 7 5.899 -3.185 6.353 56 H ARG 8 H ARG 8 6.387 -1.184 2.223 57 HA ARG 8 HA ARG 8 9.001 -1.968 3.224 58 HB2 ARG 8 2HB ARG 8 7.712 -2.161 0.508 59 HB3 ARG 8 1HB ARG 8 9.435 -2.377 0.740 60 HG2 ARG 8 2HG ARG 8 7.270 -4.063 1.983 61 HG3 ARG 8 1HG ARG 8 8.227 -4.494 0.564 62 HD2 ARG 8 2HD ARG 8 9.257 -4.024 3.361 63 HD3 ARG 8 1HD ARG 8 9.140 -5.573 2.530 64 HE ARG 8 HE ARG 8 10.714 -3.773 1.030 65 HH11 ARG 8 1HH1 ARG 8 10.892 -5.849 3.906 66 HH12 ARG 8 2HH1 ARG 8 12.588 -5.916 3.896 67 HH21 ARG 8 1HH2 ARG 8 13.010 -3.872 1.042 68 HH22 ARG 8 2HH2 ARG 8 13.842 -4.779 2.212 69 H ARG 9 H ARG 9 10.433 -0.407 3.298 70 HA ARG 9 HA ARG 9 9.655 2.203 2.490 71 HB2 ARG 9 2HB ARG 9 12.237 1.184 3.701 72 HB3 ARG 9 1HB ARG 9 11.814 2.883 3.515 73 HG2 ARG 9 2HG ARG 9 9.877 2.590 4.954 74 HG3 ARG 9 1HG ARG 9 10.238 0.874 5.104 75 HD2 ARG 9 2HD ARG 9 12.361 1.458 6.218 76 HD3 ARG 9 1HD ARG 9 11.925 3.165 6.105 77 HE ARG 9 HE ARG 9 9.913 1.563 7.336 78 HH11 ARG 9 1HH1 ARG 9 12.951 3.224 8.012 79 HH12 ARG 9 2HH1 ARG 9 12.585 3.591 9.630 80 HH21 ARG 9 1HH2 ARG 9 9.395 2.027 9.613 81 HH22 ARG 9 2HH2 ARG 9 10.554 2.836 10.571 82 H GLY 10 H GLY 10 9.637 2.664 0.472 83 HA2 GLY 10 2HA GLY 10 11.292 3.267 -1.318 84 HA3 GLY 10 1HA GLY 10 11.685 1.555 -1.299 85 H VAL 11 H VAL 11 8.694 1.198 -0.561 86 HA VAL 11 HA VAL 11 7.443 1.926 -3.047 87 HB VAL 11 HB VAL 11 8.559 -0.196 -3.473 88 HG11 VAL 11 1HG1 VAL 11 6.785 -1.391 -1.379 89 HG12 VAL 11 2HG1 VAL 11 8.544 -1.267 -1.360 90 HG13 VAL 11 3HG1 VAL 11 7.747 -2.322 -2.528 91 HG21 VAL 11 3HG2 VAL 11 6.633 -1.453 -4.454 92 HG22 VAL 11 1HG2 VAL 11 6.642 0.273 -4.824 93 HG23 VAL 11 2HG2 VAL 11 5.555 -0.356 -3.589 94 H ABA 12 H ABA 12 7.072 2.885 -0.571 95 HA ABA 12 HA ABA 12 4.751 1.678 0.660 96 HB3 ABA 12 1HB ABA 12 4.684 3.680 2.105 97 HB2 ABA 12 2HB ABA 12 5.998 4.396 1.177 98 HG1 ABA 12 3HG ABA 12 6.820 3.462 3.250 99 HG3 ABA 12 1HG ABA 12 7.468 2.568 1.874 100 HG2 ABA 12 2HG ABA 12 6.152 1.885 2.826 101 H ARG 13 H ARG 13 3.621 1.654 -1.372 102 HA ARG 13 HA ARG 13 2.583 3.957 -2.642 103 HB2 ARG 13 2HB ARG 13 1.457 1.162 -2.494 104 HB3 ARG 13 1HB ARG 13 0.867 2.424 -3.557 105 HG2 ARG 13 2HG ARG 13 3.046 2.492 -4.668 106 HG3 ARG 13 1HG ARG 13 3.604 1.189 -3.611 107 HD2 ARG 13 2HD ARG 13 1.856 -0.268 -4.476 108 HD3 ARG 13 1HD ARG 13 1.269 1.034 -5.512 109 HE ARG 13 HE ARG 13 3.959 0.669 -6.025 110 HH11 ARG 13 1HH1 ARG 13 0.919 -1.117 -6.456 111 HH12 ARG 13 2HH1 ARG 13 1.467 -1.983 -7.823 112 HH21 ARG 13 1HH2 ARG 13 4.712 -0.560 -7.884 113 HH22 ARG 13 2HH2 ARG 13 3.650 -1.664 -8.632 114 H ABA 14 H ABA 14 1.128 5.340 -1.935 115 HA ABA 14 HA ABA 14 -0.336 4.707 0.479 116 HB3 ABA 14 1HB ABA 14 -0.317 7.298 -1.096 117 HB2 ABA 14 2HB ABA 14 0.839 6.932 0.174 118 HG1 ABA 14 3HG ABA 14 -2.139 7.178 0.509 119 HG3 ABA 14 1HG ABA 14 -0.928 8.359 0.998 120 HG2 ABA 14 2HG ABA 14 -0.989 6.788 1.792 121 H VAL 15 H VAL 15 -1.378 3.043 -0.902 122 HA VAL 15 HA VAL 15 -3.449 4.035 -2.656 123 HB VAL 15 HB VAL 15 -3.239 1.201 -1.697 124 HG11 VAL 15 1HG1 VAL 15 -5.253 1.761 -2.897 125 HG12 VAL 15 2HG1 VAL 15 -4.264 0.683 -3.883 126 HG13 VAL 15 3HG1 VAL 15 -4.310 2.412 -4.237 127 HG21 VAL 15 3HG2 VAL 15 -1.723 2.402 -4.015 128 HG22 VAL 15 1HG2 VAL 15 -1.835 0.678 -3.656 129 HG23 VAL 15 2HG2 VAL 15 -1.026 1.762 -2.525 130 H ABA 16 H ABA 16 -5.271 4.665 -1.909 131 HA ABA 16 HA ABA 16 -6.294 3.648 0.626 132 HB3 ABA 16 1HB ABA 16 -7.155 5.937 1.005 133 HB2 ABA 16 2HB ABA 16 -6.266 6.478 -0.409 134 HG1 ABA 16 3HG ABA 16 -5.080 7.035 1.639 135 HG3 ABA 16 1HG ABA 16 -4.164 5.899 0.647 136 HG2 ABA 16 2HG ABA 16 -5.027 5.324 2.068 137 H ARG 17 H ARG 17 -7.271 2.259 -1.252 138 HA ARG 17 HA ARG 17 -9.690 3.609 -2.124 139 HB2 ARG 17 2HB ARG 17 -8.244 1.330 -3.507 140 HB3 ARG 17 1HB ARG 17 -9.716 2.102 -4.068 141 HG2 ARG 17 2HG ARG 17 -8.475 4.221 -4.327 142 HG3 ARG 17 1HG ARG 17 -7.000 3.387 -3.847 143 HD2 ARG 17 2HD ARG 17 -7.063 3.535 -6.238 144 HD3 ARG 17 1HD ARG 17 -7.310 1.851 -5.778 145 HE ARG 17 HE ARG 17 -9.804 2.984 -6.004 146 HH11 ARG 17 1HH1 ARG 17 -7.078 2.392 -8.190 147 HH12 ARG 17 2HH1 ARG 17 -8.052 2.272 -9.578 148 HH21 ARG 17 1HH2 ARG 17 -11.112 2.846 -7.926 149 HH22 ARG 17 2HH2 ARG 17 -10.386 2.570 -9.440 150 H ARG 18 H ARG 18 -11.559 2.421 -1.827 151 HA ARG 18 HA ARG 18 -11.397 0.566 0.354 152 HB2 ARG 18 2HB ARG 18 -13.839 1.476 -1.183 153 HB3 ARG 18 1HB ARG 18 -13.860 0.576 0.320 154 HG2 ARG 18 2HG ARG 18 -12.681 2.444 1.429 155 HG3 ARG 18 1HG ARG 18 -12.770 3.353 -0.076 156 HD2 ARG 18 2HD ARG 18 -15.125 2.344 1.513 157 HD3 ARG 18 1HD ARG 18 -14.531 4.000 1.498 158 HE ARG 18 HE ARG 18 -15.053 3.289 -1.125 159 HH11 ARG 18 1HH1 ARG 18 -16.846 3.777 1.870 160 HH12 ARG 18 2HH1 ARG 18 -18.296 4.226 1.110 161 HH21 ARG 18 1HH2 ARG 18 -17.080 3.913 -2.207 162 HH22 ARG 18 2HH2 ARG 18 -18.425 4.284 -1.266 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -9.923 -1.668 -2.458 2 HA2 GLY 1 2HA GLY 1 -9.920 -3.883 -3.483 3 HA3 GLY 1 1HA GLY 1 -9.258 -3.134 -4.929 4 H VAL 2 H VAL 2 -7.430 -1.447 -3.544 5 HA VAL 2 HA VAL 2 -5.529 -3.408 -2.453 6 HB VAL 2 HB VAL 2 -4.717 -1.109 -4.265 7 HG11 VAL 2 1HG1 VAL 2 -2.978 -1.829 -2.755 8 HG12 VAL 2 2HG1 VAL 2 -2.566 -2.287 -4.405 9 HG13 VAL 2 3HG1 VAL 2 -3.169 -3.500 -3.280 10 HG21 VAL 2 3HG2 VAL 2 -4.292 -2.784 -6.038 11 HG22 VAL 2 1HG2 VAL 2 -6.004 -2.653 -5.623 12 HG23 VAL 2 2HG2 VAL 2 -5.053 -4.011 -5.025 13 H ABA 3 H ABA 3 -5.899 -2.695 -0.368 14 HA ABA 3 HA ABA 3 -6.154 0.081 0.218 15 HB3 ABA 3 1HB ABA 3 -6.163 -0.626 2.605 16 HB2 ABA 3 2HB ABA 3 -5.817 -2.271 2.068 17 HG1 ABA 3 3HG ABA 3 -8.166 -1.998 2.550 18 HG3 ABA 3 1HG ABA 3 -7.905 -2.328 0.838 19 HG2 ABA 3 2HG ABA 3 -8.270 -0.687 1.371 20 H ARG 4 H ARG 4 -4.791 0.830 2.298 21 HA ARG 4 HA ARG 4 -2.222 1.343 1.320 22 HB2 ARG 4 2HB ARG 4 -1.781 2.343 3.578 23 HB3 ARG 4 1HB ARG 4 -3.221 2.954 2.791 24 HG2 ARG 4 2HG ARG 4 -4.568 1.402 4.220 25 HG3 ARG 4 1HG ARG 4 -3.079 1.003 5.082 26 HD2 ARG 4 2HD ARG 4 -4.262 3.761 4.799 27 HD3 ARG 4 1HD ARG 4 -4.368 2.755 6.240 28 HE ARG 4 HE ARG 4 -1.832 2.866 6.155 29 HH11 ARG 4 1HH1 ARG 4 -3.878 5.548 5.064 30 HH12 ARG 4 2HH1 ARG 4 -2.727 6.744 5.432 31 HH21 ARG 4 1HH2 ARG 4 -0.268 4.535 6.688 32 HH22 ARG 4 2HH2 ARG 4 -0.654 6.168 6.379 33 H ABA 5 H ABA 5 -0.459 0.249 1.386 34 HA ABA 5 HA ABA 5 -0.554 -2.406 2.577 35 HB3 ABA 5 1HB ABA 5 1.387 -2.863 1.124 36 HB2 ABA 5 2HB ABA 5 1.375 -1.185 0.601 37 HG1 ABA 5 3HG ABA 5 -0.863 -1.509 -0.343 38 HG3 ABA 5 1HG ABA 5 -0.801 -3.204 0.126 39 HG2 ABA 5 2HG ABA 5 0.335 -2.576 -1.069 40 H VAL 6 H VAL 6 1.686 -3.234 3.273 41 HA VAL 6 HA VAL 6 2.614 -1.705 5.470 42 HB VAL 6 HB VAL 6 3.838 -4.147 4.105 43 HG11 VAL 6 1HG1 VAL 6 4.441 -2.985 6.828 44 HG12 VAL 6 2HG1 VAL 6 5.518 -2.969 5.430 45 HG13 VAL 6 3HG1 VAL 6 5.081 -4.500 6.188 46 HG21 VAL 6 3HG2 VAL 6 1.599 -4.570 5.003 47 HG22 VAL 6 1HG2 VAL 6 2.109 -3.954 6.571 48 HG23 VAL 6 2HG2 VAL 6 2.825 -5.431 5.925 49 H ABA 7 H ABA 7 4.532 -0.568 5.650 50 HA ABA 7 HA ABA 7 5.258 0.840 3.312 51 HB3 ABA 7 1HB ABA 7 6.780 2.110 4.814 52 HB2 ABA 7 2HB ABA 7 6.319 1.025 6.122 53 HG1 ABA 7 3HG ABA 7 5.080 3.112 6.222 54 HG3 ABA 7 1HG ABA 7 4.006 1.745 5.921 55 HG2 ABA 7 2HG ABA 7 4.453 2.822 4.597 56 H ARG 8 H ARG 8 6.057 -1.131 2.180 57 HA ARG 8 HA ARG 8 8.823 -1.712 2.803 58 HB2 ARG 8 2HB ARG 8 6.961 -2.788 0.683 59 HB3 ARG 8 1HB ARG 8 8.662 -3.224 0.786 60 HG2 ARG 8 2HG ARG 8 8.293 -4.172 2.993 61 HG3 ARG 8 1HG ARG 8 6.586 -3.718 2.900 62 HD2 ARG 8 2HD ARG 8 6.319 -5.172 0.940 63 HD3 ARG 8 1HD ARG 8 8.027 -5.579 1.032 64 HE ARG 8 HE ARG 8 7.633 -6.697 3.075 65 HH11 ARG 8 1HH1 ARG 8 4.627 -5.720 1.473 66 HH12 ARG 8 2HH1 ARG 8 3.710 -6.993 2.122 67 HH21 ARG 8 1HH2 ARG 8 6.413 -8.400 3.941 68 HH22 ARG 8 2HH2 ARG 8 4.743 -8.589 3.558 69 H ARG 9 H ARG 9 10.366 -0.764 1.861 70 HA ARG 9 HA ARG 9 9.987 1.737 0.705 71 HB2 ARG 9 2HB ARG 9 12.473 0.032 0.798 72 HB3 ARG 9 1HB ARG 9 12.447 1.742 0.407 73 HG2 ARG 9 2HG ARG 9 11.603 2.264 2.634 74 HG3 ARG 9 1HG ARG 9 11.559 0.546 3.028 75 HD2 ARG 9 2HD ARG 9 13.980 0.418 2.712 76 HD3 ARG 9 1HD ARG 9 14.018 2.141 2.327 77 HE ARG 9 HE ARG 9 12.800 1.854 4.810 78 HH11 ARG 9 1HH1 ARG 9 16.008 1.305 3.399 79 HH12 ARG 9 2HH1 ARG 9 16.837 1.596 4.862 80 HH21 ARG 9 1HH2 ARG 9 13.989 2.227 6.835 81 HH22 ARG 9 2HH2 ARG 9 15.690 2.114 6.801 82 H GLY 10 H GLY 10 8.882 1.803 -1.178 83 HA2 GLY 10 2HA GLY 10 9.568 2.114 -3.539 84 HA3 GLY 10 1HA GLY 10 10.146 0.455 -3.466 85 H VAL 11 H VAL 11 7.598 -0.120 -1.756 86 HA VAL 11 HA VAL 11 5.707 -0.035 -3.977 87 HB VAL 11 HB VAL 11 4.993 -2.387 -3.509 88 HG11 VAL 11 1HG1 VAL 11 6.859 -3.497 -4.670 89 HG12 VAL 11 2HG1 VAL 11 7.877 -2.093 -4.347 90 HG13 VAL 11 3HG1 VAL 11 6.470 -1.935 -5.396 91 HG21 VAL 11 3HG2 VAL 11 7.503 -2.486 -1.830 92 HG22 VAL 11 1HG2 VAL 11 6.525 -3.884 -2.283 93 HG23 VAL 11 2HG2 VAL 11 5.844 -2.626 -1.250 94 H ABA 12 H ABA 12 5.845 1.510 -1.678 95 HA ABA 12 HA ABA 12 3.445 0.561 -0.316 96 HB3 ABA 12 1HB ABA 12 5.262 0.434 1.242 97 HB2 ABA 12 2HB ABA 12 4.156 1.714 1.735 98 HG1 ABA 12 3HG ABA 12 6.453 2.382 2.075 99 HG3 ABA 12 1HG ABA 12 5.688 3.387 0.845 100 HG2 ABA 12 2HG ABA 12 6.796 2.104 0.368 101 H ARG 13 H ARG 13 1.807 1.918 -0.057 102 HA ARG 13 HA ARG 13 2.164 4.743 -0.561 103 HB2 ARG 13 2HB ARG 13 1.417 3.619 -2.695 104 HB3 ARG 13 1HB ARG 13 -0.021 3.084 -1.841 105 HG2 ARG 13 2HG ARG 13 -0.715 5.383 -1.502 106 HG3 ARG 13 1HG ARG 13 0.769 5.960 -2.264 107 HD2 ARG 13 2HD ARG 13 -1.403 4.330 -3.563 108 HD3 ARG 13 1HD ARG 13 -1.056 6.037 -3.856 109 HE ARG 13 HE ARG 13 1.285 4.752 -4.372 110 HH11 ARG 13 1HH1 ARG 13 -1.975 4.725 -5.741 111 HH12 ARG 13 2HH1 ARG 13 -1.511 4.049 -7.225 112 HH21 ARG 13 1HH2 ARG 13 1.926 3.790 -6.415 113 HH22 ARG 13 2HH2 ARG 13 0.766 3.513 -7.612 114 H ABA 14 H ABA 14 0.975 5.874 0.886 115 HA ABA 14 HA ABA 14 -0.350 4.253 2.889 116 HB3 ABA 14 1HB ABA 14 -0.144 6.244 4.305 117 HB2 ABA 14 2HB ABA 14 0.574 7.132 2.963 118 HG1 ABA 14 3HG ABA 14 2.457 5.571 2.945 119 HG3 ABA 14 1HG ABA 14 1.741 4.698 4.301 120 HG2 ABA 14 2HG ABA 14 2.279 6.365 4.511 121 H VAL 15 H VAL 15 -1.902 4.323 0.765 122 HA VAL 15 HA VAL 15 -4.146 5.992 1.621 123 HB VAL 15 HB VAL 15 -3.449 5.569 -1.290 124 HG11 VAL 15 1HG1 VAL 15 -5.818 5.763 -0.917 125 HG12 VAL 15 2HG1 VAL 15 -5.235 7.205 -1.753 126 HG13 VAL 15 3HG1 VAL 15 -5.588 7.269 -0.029 127 HG21 VAL 15 3HG2 VAL 15 -1.839 7.152 -0.363 128 HG22 VAL 15 1HG2 VAL 15 -3.153 8.128 0.291 129 HG23 VAL 15 2HG2 VAL 15 -2.947 7.983 -1.454 130 H ABA 16 H ABA 16 -5.863 4.725 1.810 131 HA ABA 16 HA ABA 16 -5.702 2.042 0.854 132 HB3 ABA 16 1HB ABA 16 -6.667 2.281 3.052 133 HB2 ABA 16 2HB ABA 16 -7.932 1.731 1.969 134 HG1 ABA 16 3HG ABA 16 -7.588 4.554 2.920 135 HG3 ABA 16 1HG ABA 16 -8.777 3.389 3.512 136 HG2 ABA 16 2HG ABA 16 -8.846 3.962 1.844 137 H ARG 17 H ARG 17 -6.126 1.559 -1.121 138 HA ARG 17 HA ARG 17 -7.820 3.257 -2.738 139 HB2 ARG 17 2HB ARG 17 -5.811 1.099 -3.342 140 HB3 ARG 17 1HB ARG 17 -6.706 1.989 -4.571 141 HG2 ARG 17 2HG ARG 17 -5.510 3.931 -4.158 142 HG3 ARG 17 1HG ARG 17 -5.031 3.364 -2.548 143 HD2 ARG 17 2HD ARG 17 -4.102 2.088 -5.117 144 HD3 ARG 17 1HD ARG 17 -3.178 3.309 -4.229 145 HE ARG 17 HE ARG 17 -4.035 1.041 -2.678 146 HH11 ARG 17 1HH1 ARG 17 -1.453 2.193 -4.790 147 HH12 ARG 17 2HH1 ARG 17 -0.218 1.336 -4.010 148 HH21 ARG 17 1HH2 ARG 17 -2.334 -0.140 -1.550 149 HH22 ARG 17 2HH2 ARG 17 -0.733 -0.031 -2.123 150 H ARG 18 H ARG 18 -9.342 2.220 -3.992 151 HA ARG 18 HA ARG 18 -10.893 0.234 -2.692 152 HB2 ARG 18 2HB ARG 18 -11.094 1.256 -5.528 153 HB3 ARG 18 1HB ARG 18 -12.307 0.285 -4.711 154 HG2 ARG 18 2HG ARG 18 -12.678 2.079 -3.114 155 HG3 ARG 18 1HG ARG 18 -11.438 3.051 -3.907 156 HD2 ARG 18 2HD ARG 18 -13.630 3.740 -4.673 157 HD3 ARG 18 1HD ARG 18 -12.752 2.968 -5.997 158 HE ARG 18 HE ARG 18 -14.525 1.279 -4.453 159 HH11 ARG 18 1HH1 ARG 18 -14.122 3.208 -7.397 160 HH12 ARG 18 2HH1 ARG 18 -15.425 2.470 -8.219 161 HH21 ARG 18 1HH2 ARG 18 -16.346 0.285 -5.587 162 HH22 ARG 18 2HH2 ARG 18 -16.728 0.775 -7.160 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -10.705 -1.126 -0.711 2 HA2 GLY 1 2HA GLY 1 -12.196 -3.305 -1.469 3 HA3 GLY 1 1HA GLY 1 -11.783 -2.459 -2.959 4 H VAL 2 H VAL 2 -9.348 -1.729 -2.994 5 HA VAL 2 HA VAL 2 -7.654 -3.839 -1.940 6 HB VAL 2 HB VAL 2 -7.735 -3.000 -4.867 7 HG11 VAL 2 1HG1 VAL 2 -5.932 -4.982 -3.489 8 HG12 VAL 2 2HG1 VAL 2 -5.454 -3.393 -4.087 9 HG13 VAL 2 3HG1 VAL 2 -5.962 -4.647 -5.223 10 HG21 VAL 2 3HG2 VAL 2 -9.530 -4.562 -4.288 11 HG22 VAL 2 1HG2 VAL 2 -8.346 -5.683 -3.624 12 HG23 VAL 2 2HG2 VAL 2 -8.345 -5.315 -5.352 13 H ABA 3 H ABA 3 -6.139 -2.779 -0.917 14 HA ABA 3 HA ABA 3 -4.980 -0.412 -2.162 15 HB3 ABA 3 1HB ABA 3 -6.461 0.465 -0.467 16 HB2 ABA 3 2HB ABA 3 -4.785 0.684 0.033 17 HG1 ABA 3 3HG ABA 3 -4.964 -1.207 1.536 18 HG3 ABA 3 1HG ABA 3 -6.639 -1.440 1.041 19 HG2 ABA 3 2HG ABA 3 -6.174 0.026 1.903 20 H ARG 4 H ARG 4 -2.828 -0.193 -1.948 21 HA ARG 4 HA ARG 4 -1.460 -2.449 -0.708 22 HB2 ARG 4 2HB ARG 4 -0.354 -0.333 -2.572 23 HB3 ARG 4 1HB ARG 4 0.538 -1.715 -1.949 24 HG2 ARG 4 2HG ARG 4 -1.002 -3.223 -3.093 25 HG3 ARG 4 1HG ARG 4 -1.890 -1.843 -3.721 26 HD2 ARG 4 2HD ARG 4 0.207 -1.100 -4.853 27 HD3 ARG 4 1HD ARG 4 0.958 -2.610 -4.333 28 HE ARG 4 HE ARG 4 -1.471 -3.151 -5.596 29 HH11 ARG 4 1HH1 ARG 4 1.866 -2.284 -6.425 30 HH12 ARG 4 2HH1 ARG 4 1.728 -2.792 -8.039 31 HH21 ARG 4 1HH2 ARG 4 -1.658 -3.821 -7.795 32 HH22 ARG 4 2HH2 ARG 4 -0.345 -3.675 -8.857 33 H ABA 5 H ABA 5 -1.470 -1.980 1.386 34 HA ABA 5 HA ABA 5 -0.288 0.547 2.259 35 HB3 ABA 5 1HB ABA 5 -2.465 0.190 3.265 36 HB2 ABA 5 2HB ABA 5 -1.251 -0.042 4.516 37 HG1 ABA 5 3HG ABA 5 -1.474 -2.467 4.295 38 HG3 ABA 5 1HG ABA 5 -2.701 -2.239 3.049 39 HG2 ABA 5 2HG ABA 5 -3.016 -1.704 4.697 40 H VAL 6 H VAL 6 1.534 -0.836 1.248 41 HA VAL 6 HA VAL 6 2.686 -2.683 3.163 42 HB VAL 6 HB VAL 6 4.273 -3.290 1.380 43 HG11 VAL 6 1HG1 VAL 6 2.691 -4.329 -0.160 44 HG12 VAL 6 2HG1 VAL 6 1.420 -3.257 0.418 45 HG13 VAL 6 3HG1 VAL 6 2.121 -4.452 1.508 46 HG21 VAL 6 3HG2 VAL 6 4.013 -2.398 -0.901 47 HG22 VAL 6 1HG2 VAL 6 4.458 -1.120 0.235 48 HG23 VAL 6 2HG2 VAL 6 2.791 -1.270 -0.317 49 H ABA 7 H ABA 7 4.480 -2.230 4.365 50 HA ABA 7 HA ABA 7 5.610 0.428 4.011 51 HB3 ABA 7 1HB ABA 7 6.507 0.083 6.318 52 HB2 ABA 7 2HB ABA 7 5.654 -1.450 6.388 53 HG1 ABA 7 3HG ABA 7 3.527 -0.274 6.105 54 HG3 ABA 7 1HG ABA 7 4.391 1.260 6.091 55 HG2 ABA 7 2HG ABA 7 4.393 0.261 7.546 56 H ARG 8 H ARG 8 6.666 -0.617 2.112 57 HA ARG 8 HA ARG 8 8.930 -2.256 2.856 58 HB2 ARG 8 2HB ARG 8 7.791 -1.588 0.133 59 HB3 ARG 8 1HB ARG 8 9.149 -2.658 0.437 60 HG2 ARG 8 2HG ARG 8 6.321 -3.105 1.364 61 HG3 ARG 8 1HG ARG 8 7.086 -3.895 -0.016 62 HD2 ARG 8 2HD ARG 8 7.970 -4.104 2.863 63 HD3 ARG 8 1HD ARG 8 7.072 -5.334 1.984 64 HE ARG 8 HE ARG 8 9.378 -4.736 0.545 65 HH11 ARG 8 1HH1 ARG 8 8.600 -6.152 3.684 66 HH12 ARG 8 2HH1 ARG 8 9.880 -7.266 3.658 67 HH21 ARG 8 1HH2 ARG 8 11.157 -6.212 0.515 68 HH22 ARG 8 2HH2 ARG 8 11.386 -7.293 1.804 69 H ARG 9 H ARG 9 10.911 -1.542 2.507 70 HA ARG 9 HA ARG 9 11.239 1.300 2.397 71 HB2 ARG 9 2HB ARG 9 13.273 -0.914 2.704 72 HB3 ARG 9 1HB ARG 9 13.634 0.809 2.840 73 HG2 ARG 9 2HG ARG 9 12.108 1.005 4.713 74 HG3 ARG 9 1HG ARG 9 11.693 -0.701 4.555 75 HD2 ARG 9 2HD ARG 9 13.252 -0.317 6.368 76 HD3 ARG 9 1HD ARG 9 13.971 -1.311 5.107 77 HE ARG 9 HE ARG 9 15.288 0.509 4.452 78 HH11 ARG 9 1HH1 ARG 9 13.372 1.271 7.340 79 HH12 ARG 9 2HH1 ARG 9 14.479 2.377 7.983 80 HH21 ARG 9 1HH2 ARG 9 16.822 2.063 5.321 81 HH22 ARG 9 2HH2 ARG 9 16.502 2.818 6.819 82 H GLY 10 H GLY 10 10.499 1.671 0.435 83 HA2 GLY 10 2HA GLY 10 12.132 2.387 -1.565 84 HA3 GLY 10 1HA GLY 10 11.774 0.702 -1.944 85 H VAL 11 H VAL 11 9.293 0.332 -1.194 86 HA VAL 11 HA VAL 11 7.678 2.313 -2.611 87 HB VAL 11 HB VAL 11 7.367 -0.709 -2.800 88 HG11 VAL 11 1HG1 VAL 11 5.236 0.466 -2.922 89 HG12 VAL 11 2HG1 VAL 11 5.654 -0.231 -4.485 90 HG13 VAL 11 3HG1 VAL 11 5.860 1.500 -4.209 91 HG21 VAL 11 3HG2 VAL 11 8.034 -0.508 -5.132 92 HG22 VAL 11 1HG2 VAL 11 9.312 0.076 -4.075 93 HG23 VAL 11 2HG2 VAL 11 8.282 1.225 -4.937 94 H ABA 12 H ABA 12 6.586 3.150 -0.975 95 HA ABA 12 HA ABA 12 5.777 1.436 1.222 96 HB3 ABA 12 1HB ABA 12 5.261 3.560 2.402 97 HB2 ABA 12 2HB ABA 12 5.791 4.453 0.982 98 HG1 ABA 12 3HG ABA 12 7.516 4.402 2.687 99 HG3 ABA 12 1HG ABA 12 8.032 3.538 1.237 100 HG2 ABA 12 2HG ABA 12 7.505 2.637 2.656 101 H ARG 13 H ARG 13 3.620 2.848 2.136 102 HA ARG 13 HA ARG 13 1.524 1.716 0.666 103 HB2 ARG 13 2HB ARG 13 0.024 2.980 2.170 104 HB3 ARG 13 1HB ARG 13 1.260 2.067 3.022 105 HG2 ARG 13 2HG ARG 13 2.449 4.005 3.600 106 HG3 ARG 13 1HG ARG 13 1.590 4.982 2.406 107 HD2 ARG 13 2HD ARG 13 0.270 3.688 4.785 108 HD3 ARG 13 1HD ARG 13 0.863 5.355 4.776 109 HE ARG 13 HE ARG 13 -0.699 5.405 2.648 110 HH11 ARG 13 1HH1 ARG 13 -1.452 3.883 5.771 111 HH12 ARG 13 2HH1 ARG 13 -3.100 4.307 5.715 112 HH21 ARG 13 1HH2 ARG 13 -2.922 5.947 2.582 113 HH22 ARG 13 2HH2 ARG 13 -3.976 5.527 3.838 114 H ABA 14 H ABA 14 -0.244 2.744 -0.284 115 HA ABA 14 HA ABA 14 0.228 5.422 -1.343 116 HB3 ABA 14 1HB ABA 14 0.572 3.865 -3.199 117 HB2 ABA 14 2HB ABA 14 -0.965 4.688 -3.425 118 HG1 ABA 14 3HG ABA 14 -2.167 2.742 -2.614 119 HG3 ABA 14 1HG ABA 14 -0.636 1.906 -2.346 120 HG2 ABA 14 2HG ABA 14 -1.128 2.329 -3.983 121 H VAL 15 H VAL 15 -2.221 5.877 -2.440 122 HA VAL 15 HA VAL 15 -3.874 6.333 -0.244 123 HB VAL 15 HB VAL 15 -5.694 6.807 -1.879 124 HG11 VAL 15 1HG1 VAL 15 -4.097 8.541 -1.326 125 HG12 VAL 15 2HG1 VAL 15 -4.576 8.667 -3.020 126 HG13 VAL 15 3HG1 VAL 15 -3.012 7.975 -2.596 127 HG21 VAL 15 3HG2 VAL 15 -5.195 6.689 -4.303 128 HG22 VAL 15 1HG2 VAL 15 -5.213 5.094 -3.548 129 HG23 VAL 15 2HG2 VAL 15 -3.680 5.871 -3.928 130 H ABA 16 H ABA 16 -5.551 5.269 0.648 131 HA ABA 16 HA ABA 16 -5.768 2.456 -0.008 132 HB3 ABA 16 1HB ABA 16 -7.038 2.312 2.131 133 HB2 ABA 16 2HB ABA 16 -6.807 4.039 2.350 134 HG1 ABA 16 3HG ABA 16 -4.391 3.721 2.428 135 HG3 ABA 16 1HG ABA 16 -4.616 1.985 2.219 136 HG2 ABA 16 2HG ABA 16 -5.212 2.786 3.675 137 H ARG 17 H ARG 17 -7.340 1.814 -1.378 138 HA ARG 17 HA ARG 17 -9.735 3.413 -1.510 139 HB2 ARG 17 2HB ARG 17 -8.518 1.376 -3.369 140 HB3 ARG 17 1HB ARG 17 -10.143 2.030 -3.592 141 HG2 ARG 17 2HG ARG 17 -9.241 4.258 -3.799 142 HG3 ARG 17 1HG ARG 17 -7.620 3.658 -3.475 143 HD2 ARG 17 2HD ARG 17 -7.689 2.342 -5.516 144 HD3 ARG 17 1HD ARG 17 -9.337 2.891 -5.834 145 HE ARG 17 HE ARG 17 -8.055 5.194 -5.616 146 HH11 ARG 17 1HH1 ARG 17 -7.158 2.313 -7.437 147 HH12 ARG 17 2HH1 ARG 17 -6.355 3.159 -8.675 148 HH21 ARG 17 1HH2 ARG 17 -6.981 6.368 -7.303 149 HH22 ARG 17 2HH2 ARG 17 -6.245 5.535 -8.600 150 H ARG 18 H ARG 18 -11.678 2.317 -1.600 151 HA ARG 18 HA ARG 18 -11.953 0.430 0.546 152 HB2 ARG 18 2HB ARG 18 -13.999 1.774 -1.237 153 HB3 ARG 18 1HB ARG 18 -14.378 0.789 0.174 154 HG2 ARG 18 2HG ARG 18 -13.427 2.364 1.654 155 HG3 ARG 18 1HG ARG 18 -12.665 3.249 0.336 156 HD2 ARG 18 2HD ARG 18 -14.614 4.420 1.219 157 HD3 ARG 18 1HD ARG 18 -14.836 3.966 -0.465 158 HE ARG 18 HE ARG 18 -16.016 1.937 0.822 159 HH11 ARG 18 1HH1 ARG 18 -16.323 5.432 1.308 160 HH12 ARG 18 2HH1 ARG 18 -17.976 5.381 1.673 161 HH21 ARG 18 1HH2 ARG 18 -18.316 1.867 1.361 162 HH22 ARG 18 2HH2 ARG 18 -19.123 3.324 1.726 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.053 -1.538 -0.471 2 HA2 GLY 1 2HA GLY 1 -11.911 -3.306 -1.995 3 HA3 GLY 1 1HA GLY 1 -12.204 -1.988 -3.130 4 H VAL 2 H VAL 2 -9.904 -0.496 -2.614 5 HA VAL 2 HA VAL 2 -7.802 -2.321 -3.417 6 HB VAL 2 HB VAL 2 -6.907 -0.574 -5.034 7 HG11 VAL 2 1HG1 VAL 2 -9.608 -1.746 -5.663 8 HG12 VAL 2 2HG1 VAL 2 -8.051 -2.552 -5.840 9 HG13 VAL 2 3HG1 VAL 2 -8.443 -1.162 -6.852 10 HG21 VAL 2 3HG2 VAL 2 -9.660 0.630 -4.671 11 HG22 VAL 2 1HG2 VAL 2 -8.528 1.055 -5.961 12 HG23 VAL 2 2HG2 VAL 2 -8.107 1.387 -4.288 13 H ABA 3 H ABA 3 -6.659 -2.374 -1.699 14 HA ABA 3 HA ABA 3 -5.621 0.148 -0.614 15 HB3 ABA 3 1HB ABA 3 -5.231 -1.113 1.496 16 HB2 ABA 3 2HB ABA 3 -6.025 -2.509 0.787 17 HG1 ABA 3 3HG ABA 3 -7.512 -1.323 2.280 18 HG3 ABA 3 1HG ABA 3 -8.103 -1.253 0.619 19 HG2 ABA 3 2HG ABA 3 -7.311 0.151 1.331 20 H ARG 4 H ARG 4 -3.488 0.318 -0.480 21 HA ARG 4 HA ARG 4 -1.897 -1.725 -1.794 22 HB2 ARG 4 2HB ARG 4 -1.234 1.069 -0.876 23 HB3 ARG 4 1HB ARG 4 -0.047 -0.022 -1.563 24 HG2 ARG 4 2HG ARG 4 -2.536 0.925 -2.976 25 HG3 ARG 4 1HG ARG 4 -0.919 1.604 -3.201 26 HD2 ARG 4 2HD ARG 4 -0.138 -0.631 -3.910 27 HD3 ARG 4 1HD ARG 4 -1.791 -1.223 -3.781 28 HE ARG 4 HE ARG 4 -1.802 0.979 -5.459 29 HH11 ARG 4 1HH1 ARG 4 -0.522 -2.305 -5.379 30 HH12 ARG 4 2HH1 ARG 4 -0.464 -2.513 -7.061 31 HH21 ARG 4 1HH2 ARG 4 -1.736 0.707 -7.832 32 HH22 ARG 4 2HH2 ARG 4 -1.187 -0.752 -8.491 33 H ABA 5 H ABA 5 0.195 -2.326 -0.838 34 HA ABA 5 HA ABA 5 -0.395 -3.442 1.715 35 HB3 ABA 5 1HB ABA 5 1.765 -4.668 1.399 36 HB2 ABA 5 2HB ABA 5 2.002 -3.762 -0.090 37 HG1 ABA 5 3HG ABA 5 1.117 -5.983 -0.526 38 HG3 ABA 5 1HG ABA 5 -0.030 -4.735 -1.016 39 HG2 ABA 5 2HG ABA 5 -0.282 -5.629 0.484 40 H VAL 6 H VAL 6 2.120 -3.751 2.775 41 HA VAL 6 HA VAL 6 2.270 -1.707 4.627 42 HB VAL 6 HB VAL 6 4.438 -3.675 3.864 43 HG11 VAL 6 1HG1 VAL 6 5.290 -1.911 5.291 44 HG12 VAL 6 2HG1 VAL 6 5.216 -3.438 6.166 45 HG13 VAL 6 3HG1 VAL 6 3.991 -2.198 6.447 46 HG21 VAL 6 3HG2 VAL 6 2.181 -3.942 5.836 47 HG22 VAL 6 1HG2 VAL 6 3.505 -5.094 5.642 48 HG23 VAL 6 2HG2 VAL 6 2.370 -4.814 4.322 49 H ABA 7 H ABA 7 3.503 0.063 4.831 50 HA ABA 7 HA ABA 7 4.801 1.191 2.569 51 HB3 ABA 7 1HB ABA 7 4.614 2.111 5.456 52 HB2 ABA 7 2HB ABA 7 3.491 2.546 4.180 53 HG1 ABA 7 3HG ABA 7 5.249 3.739 3.005 54 HG3 ABA 7 1HG ABA 7 6.404 3.275 4.254 55 HG2 ABA 7 2HG ABA 7 5.057 4.337 4.652 56 H ARG 8 H ARG 8 6.589 -0.022 2.084 57 HA ARG 8 HA ARG 8 8.437 -0.813 4.144 58 HB2 ARG 8 2HB ARG 8 7.958 -1.514 1.257 59 HB3 ARG 8 1HB ARG 8 9.381 -2.082 2.144 60 HG2 ARG 8 2HG ARG 8 8.121 -3.495 3.434 61 HG3 ARG 8 1HG ARG 8 6.668 -2.502 3.225 62 HD2 ARG 8 2HD ARG 8 7.919 -4.070 0.987 63 HD3 ARG 8 1HD ARG 8 6.654 -4.731 2.030 64 HE ARG 8 HE ARG 8 5.773 -2.279 1.130 65 HH11 ARG 8 1HH1 ARG 8 6.609 -5.369 -0.381 66 HH12 ARG 8 2HH1 ARG 8 5.482 -5.222 -1.635 67 HH21 ARG 8 1HH2 ARG 8 4.229 -2.059 -0.617 68 HH22 ARG 8 2HH2 ARG 8 4.096 -3.312 -1.760 69 H ARG 9 H ARG 9 10.716 -0.532 3.442 70 HA ARG 9 HA ARG 9 11.059 2.305 2.939 71 HB2 ARG 9 2HB ARG 9 13.163 0.252 3.657 72 HB3 ARG 9 1HB ARG 9 13.362 1.996 3.676 73 HG2 ARG 9 2HG ARG 9 11.543 0.397 5.470 74 HG3 ARG 9 1HG ARG 9 13.079 1.129 5.929 75 HD2 ARG 9 2HD ARG 9 12.136 3.352 5.488 76 HD3 ARG 9 1HD ARG 9 10.609 2.604 5.015 77 HE ARG 9 HE ARG 9 11.264 1.699 7.561 78 HH11 ARG 9 1HH1 ARG 9 10.200 4.682 5.989 79 HH12 ARG 9 2HH1 ARG 9 9.533 5.373 7.388 80 HH21 ARG 9 1HH2 ARG 9 10.287 2.610 9.482 81 HH22 ARG 9 2HH2 ARG 9 9.546 4.140 9.417 82 H GLY 10 H GLY 10 10.353 2.066 0.798 83 HA2 GLY 10 2HA GLY 10 11.918 2.709 -1.172 84 HA3 GLY 10 1HA GLY 10 12.312 0.993 -1.084 85 H VAL 11 H VAL 11 10.017 -0.233 -0.627 86 HA VAL 11 HA VAL 11 8.506 0.383 -3.055 87 HB VAL 11 HB VAL 11 8.510 -2.193 -1.443 88 HG11 VAL 11 1HG1 VAL 11 7.416 -1.579 -4.188 89 HG12 VAL 11 2HG1 VAL 11 6.472 -1.871 -2.726 90 HG13 VAL 11 3HG1 VAL 11 7.435 -3.171 -3.429 91 HG21 VAL 11 3HG2 VAL 11 10.715 -1.831 -2.441 92 HG22 VAL 11 1HG2 VAL 11 9.965 -1.585 -4.016 93 HG23 VAL 11 2HG2 VAL 11 9.877 -3.162 -3.233 94 H ABA 12 H ABA 12 7.193 1.964 -2.175 95 HA ABA 12 HA ABA 12 5.094 0.849 -0.596 96 HB3 ABA 12 1HB ABA 12 6.493 1.637 1.168 97 HB2 ABA 12 2HB ABA 12 5.072 2.660 1.057 98 HG1 ABA 12 3HG ABA 12 6.365 4.389 -0.050 99 HG3 ABA 12 1HG ABA 12 7.808 3.367 0.032 100 HG2 ABA 12 2HG ABA 12 7.053 3.954 1.519 101 H ARG 13 H ARG 13 3.254 1.469 -1.155 102 HA ARG 13 HA ARG 13 2.754 4.134 -2.197 103 HB2 ARG 13 2HB ARG 13 1.653 1.495 -3.232 104 HB3 ARG 13 1HB ARG 13 0.906 3.038 -3.569 105 HG2 ARG 13 2HG ARG 13 3.692 2.247 -4.428 106 HG3 ARG 13 1HG ARG 13 2.257 2.137 -5.443 107 HD2 ARG 13 2HD ARG 13 3.375 4.155 -6.052 108 HD3 ARG 13 1HD ARG 13 1.965 4.627 -5.106 109 HE ARG 13 HE ARG 13 4.334 4.332 -3.529 110 HH11 ARG 13 1HH1 ARG 13 2.520 6.661 -5.514 111 HH12 ARG 13 2HH1 ARG 13 3.311 8.014 -4.890 112 HH21 ARG 13 1HH2 ARG 13 5.402 6.196 -2.666 113 HH22 ARG 13 2HH2 ARG 13 4.964 7.741 -3.198 114 H ABA 14 H ABA 14 0.947 4.967 -1.121 115 HA ABA 14 HA ABA 14 -0.239 3.073 0.755 116 HB3 ABA 14 1HB ABA 14 0.333 5.985 1.339 117 HB2 ABA 14 2HB ABA 14 1.402 4.671 1.813 118 HG1 ABA 14 3HG ABA 14 -0.331 3.733 3.225 119 HG3 ABA 14 1HG ABA 14 -1.446 5.001 2.724 120 HG2 ABA 14 2HG ABA 14 -0.008 5.407 3.662 121 H VAL 15 H VAL 15 -1.733 2.894 -1.061 122 HA VAL 15 HA VAL 15 -3.662 5.083 -1.062 123 HB VAL 15 HB VAL 15 -3.604 2.705 -2.909 124 HG11 VAL 15 1HG1 VAL 15 -5.793 3.671 -2.705 125 HG12 VAL 15 2HG1 VAL 15 -5.154 4.003 -4.311 126 HG13 VAL 15 3HG1 VAL 15 -5.165 5.274 -3.082 127 HG21 VAL 15 3HG2 VAL 15 -2.730 4.218 -4.661 128 HG22 VAL 15 1HG2 VAL 15 -1.605 4.035 -3.317 129 HG23 VAL 15 2HG2 VAL 15 -2.582 5.497 -3.458 130 H ABA 16 H ABA 16 -5.441 4.753 0.048 131 HA ABA 16 HA ABA 16 -6.185 2.049 0.744 132 HB3 ABA 16 1HB ABA 16 -5.164 2.820 2.737 133 HB2 ABA 16 2HB ABA 16 -6.904 2.994 2.962 134 HG1 ABA 16 3HG ABA 16 -5.051 5.249 2.288 135 HG3 ABA 16 1HG ABA 16 -5.714 4.895 3.883 136 HG2 ABA 16 2HG ABA 16 -6.791 5.361 2.563 137 H ARG 17 H ARG 17 -7.776 1.978 -0.787 138 HA ARG 17 HA ARG 17 -10.072 3.706 -0.293 139 HB2 ARG 17 2HB ARG 17 -9.260 2.255 -2.819 140 HB3 ARG 17 1HB ARG 17 -10.716 3.206 -2.625 141 HG2 ARG 17 2HG ARG 17 -9.345 5.220 -2.332 142 HG3 ARG 17 1HG ARG 17 -7.893 4.245 -2.573 143 HD2 ARG 17 2HD ARG 17 -8.764 3.570 -4.789 144 HD3 ARG 17 1HD ARG 17 -10.135 4.647 -4.542 145 HE ARG 17 HE ARG 17 -7.984 6.256 -4.217 146 HH11 ARG 17 1HH1 ARG 17 -9.193 4.166 -6.790 147 HH12 ARG 17 2HH1 ARG 17 -8.394 4.995 -8.039 148 HH21 ARG 17 1HH2 ARG 17 -6.842 7.396 -5.970 149 HH22 ARG 17 2HH2 ARG 17 -7.027 6.855 -7.572 150 H ARG 18 H ARG 18 -12.071 2.530 -0.424 151 HA ARG 18 HA ARG 18 -11.874 -0.070 0.730 152 HB2 ARG 18 2HB ARG 18 -14.225 1.627 -0.078 153 HB3 ARG 18 1HB ARG 18 -14.457 -0.061 0.337 154 HG2 ARG 18 2HG ARG 18 -14.948 1.307 2.254 155 HG3 ARG 18 1HG ARG 18 -13.485 0.385 2.568 156 HD2 ARG 18 2HD ARG 18 -13.197 2.630 3.380 157 HD3 ARG 18 1HD ARG 18 -12.155 2.391 1.979 158 HE ARG 18 HE ARG 18 -14.637 3.482 1.182 159 HH11 ARG 18 1HH1 ARG 18 -11.633 4.442 2.797 160 HH12 ARG 18 2HH1 ARG 18 -11.754 6.075 2.361 161 HH21 ARG 18 1HH2 ARG 18 -14.833 5.681 0.626 162 HH22 ARG 18 2HH2 ARG 18 -13.649 6.816 1.081 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.998 -1.468 -1.538 2 HA2 GLY 1 2HA GLY 1 -9.315 -3.929 -2.676 3 HA3 GLY 1 1HA GLY 1 -9.208 -2.809 -4.038 4 H VAL 2 H VAL 2 -7.588 -0.911 -2.777 5 HA VAL 2 HA VAL 2 -5.186 -2.309 -2.032 6 HB VAL 2 HB VAL 2 -3.790 -0.659 -3.423 7 HG11 VAL 2 1HG1 VAL 2 -3.955 -3.008 -4.008 8 HG12 VAL 2 2HG1 VAL 2 -3.902 -2.004 -5.455 9 HG13 VAL 2 3HG1 VAL 2 -5.437 -2.691 -4.912 10 HG21 VAL 2 3HG2 VAL 2 -6.422 -0.309 -4.874 11 HG22 VAL 2 1HG2 VAL 2 -4.847 0.209 -5.488 12 HG23 VAL 2 2HG2 VAL 2 -5.502 0.937 -4.030 13 H ABA 3 H ABA 3 -5.871 -1.673 -0.020 14 HA ABA 3 HA ABA 3 -5.705 1.133 0.672 15 HB3 ABA 3 1HB ABA 3 -6.019 0.253 3.022 16 HB2 ABA 3 2HB ABA 3 -6.117 -1.360 2.337 17 HG1 ABA 3 3HG ABA 3 -8.082 -0.715 1.057 18 HG3 ABA 3 1HG ABA 3 -7.982 0.911 1.727 19 HG2 ABA 3 2HG ABA 3 -8.326 -0.455 2.789 20 H ARG 4 H ARG 4 -4.285 1.388 2.853 21 HA ARG 4 HA ARG 4 -1.625 0.937 1.931 22 HB2 ARG 4 2HB ARG 4 -0.841 2.040 3.980 23 HB3 ARG 4 1HB ARG 4 -2.153 2.952 3.274 24 HG2 ARG 4 2HG ARG 4 -3.689 2.063 4.965 25 HG3 ARG 4 1HG ARG 4 -2.376 1.113 5.648 26 HD2 ARG 4 2HD ARG 4 -2.608 3.060 6.995 27 HD3 ARG 4 1HD ARG 4 -1.145 3.264 6.033 28 HE ARG 4 HE ARG 4 -3.397 4.375 4.750 29 HH11 ARG 4 1HH1 ARG 4 -0.934 5.090 7.196 30 HH12 ARG 4 2HH1 ARG 4 -1.285 6.748 7.253 31 HH21 ARG 4 1HH2 ARG 4 -3.831 6.654 4.795 32 HH22 ARG 4 2HH2 ARG 4 -2.942 7.669 5.830 33 H ABA 5 H ABA 5 -1.308 -1.182 1.687 34 HA ABA 5 HA ABA 5 -0.751 -2.618 4.164 35 HB3 ABA 5 1HB ABA 5 -2.921 -3.512 3.484 36 HB2 ABA 5 2HB ABA 5 -1.696 -4.744 3.226 37 HG1 ABA 5 3HG ABA 5 -2.901 -3.001 1.091 38 HG3 ABA 5 1HG ABA 5 -3.273 -4.701 1.389 39 HG2 ABA 5 2HG ABA 5 -1.662 -4.227 0.840 40 H VAL 6 H VAL 6 0.634 -1.235 2.107 41 HA VAL 6 HA VAL 6 2.667 -3.254 1.475 42 HB VAL 6 HB VAL 6 2.004 -0.935 -0.225 43 HG11 VAL 6 1HG1 VAL 6 4.259 -1.655 -0.529 44 HG12 VAL 6 2HG1 VAL 6 3.368 -2.116 -1.984 45 HG13 VAL 6 3HG1 VAL 6 3.753 -3.324 -0.765 46 HG21 VAL 6 3HG2 VAL 6 0.981 -2.467 -1.928 47 HG22 VAL 6 1HG2 VAL 6 0.069 -2.370 -0.418 48 HG23 VAL 6 2HG2 VAL 6 1.093 -3.770 -0.746 49 H ABA 7 H ABA 7 3.872 -2.551 3.061 50 HA ABA 7 HA ABA 7 4.658 0.261 3.153 51 HB3 ABA 7 1HB ABA 7 5.097 -0.135 5.563 52 HB2 ABA 7 2HB ABA 7 4.373 -1.727 5.404 53 HG1 ABA 7 3HG ABA 7 2.245 -0.709 4.768 54 HG3 ABA 7 1HG ABA 7 2.952 0.890 4.966 55 HG2 ABA 7 2HG ABA 7 2.783 -0.172 6.361 56 H ARG 8 H ARG 8 6.255 -0.507 1.528 57 HA ARG 8 HA ARG 8 8.465 -1.803 2.860 58 HB2 ARG 8 2HB ARG 8 7.641 -1.941 -0.046 59 HB3 ARG 8 1HB ARG 8 9.205 -2.494 0.553 60 HG2 ARG 8 2HG ARG 8 8.056 -4.088 2.027 61 HG3 ARG 8 1HG ARG 8 6.512 -3.561 1.362 62 HD2 ARG 8 2HD ARG 8 8.743 -4.685 -0.301 63 HD3 ARG 8 1HD ARG 8 7.468 -5.674 0.389 64 HE ARG 8 HE ARG 8 5.919 -4.249 -0.890 65 HH11 ARG 8 1HH1 ARG 8 9.273 -4.577 -2.004 66 HH12 ARG 8 2HH1 ARG 8 8.906 -4.507 -3.656 67 HH21 ARG 8 1HH2 ARG 8 5.387 -4.204 -3.193 68 HH22 ARG 8 2HH2 ARG 8 6.641 -4.280 -4.351 69 H ARG 9 H ARG 9 10.537 -1.010 2.233 70 HA ARG 9 HA ARG 9 10.390 1.883 2.237 71 HB2 ARG 9 2HB ARG 9 12.893 0.215 2.492 72 HB3 ARG 9 1HB ARG 9 12.667 1.884 2.985 73 HG2 ARG 9 2HG ARG 9 11.392 -0.535 4.248 74 HG3 ARG 9 1HG ARG 9 12.690 0.447 4.925 75 HD2 ARG 9 2HD ARG 9 9.904 1.433 4.312 76 HD3 ARG 9 1HD ARG 9 10.455 0.918 5.896 77 HE ARG 9 HE ARG 9 11.886 3.086 4.563 78 HH11 ARG 9 1HH1 ARG 9 9.634 2.066 7.078 79 HH12 ARG 9 2HH1 ARG 9 9.724 3.513 7.965 80 HH21 ARG 9 1HH2 ARG 9 11.999 5.105 5.763 81 HH22 ARG 9 2HH2 ARG 9 11.112 5.280 7.202 82 H GLY 10 H GLY 10 9.729 2.099 0.147 83 HA2 GLY 10 2HA GLY 10 11.183 3.178 -1.724 84 HA3 GLY 10 1HA GLY 10 11.574 1.480 -2.025 85 H VAL 11 H VAL 11 9.284 0.252 -1.475 86 HA VAL 11 HA VAL 11 7.398 1.411 -3.388 87 HB VAL 11 HB VAL 11 7.693 -1.541 -2.734 88 HG11 VAL 11 1HG1 VAL 11 5.469 -0.916 -3.511 89 HG12 VAL 11 2HG1 VAL 11 6.294 -1.889 -4.729 90 HG13 VAL 11 3HG1 VAL 11 6.166 -0.140 -4.933 91 HG21 VAL 11 3HG2 VAL 11 8.694 -0.080 -5.176 92 HG22 VAL 11 1HG2 VAL 11 8.754 -1.823 -4.929 93 HG23 VAL 11 2HG2 VAL 11 9.709 -0.752 -3.902 94 H ABA 12 H ABA 12 6.628 2.576 -1.548 95 HA ABA 12 HA ABA 12 5.011 0.941 0.253 96 HB3 ABA 12 1HB ABA 12 5.837 3.850 0.460 97 HB2 ABA 12 2HB ABA 12 6.497 2.511 1.402 98 HG1 ABA 12 3HG ABA 12 4.955 3.794 2.737 99 HG3 ABA 12 1HG ABA 12 4.320 2.175 2.456 100 HG2 ABA 12 2HG ABA 12 3.678 3.544 1.551 101 H ARG 13 H ARG 13 2.931 0.901 -0.079 102 HA ARG 13 HA ARG 13 1.829 2.905 -1.892 103 HB2 ARG 13 2HB ARG 13 2.046 0.769 -3.056 104 HB3 ARG 13 1HB ARG 13 1.190 -0.053 -1.769 105 HG2 ARG 13 2HG ARG 13 -0.870 0.885 -2.405 106 HG3 ARG 13 1HG ARG 13 -0.078 2.094 -3.422 107 HD2 ARG 13 2HD ARG 13 0.066 -0.877 -3.927 108 HD3 ARG 13 1HD ARG 13 -1.091 0.206 -4.711 109 HE ARG 13 HE ARG 13 1.199 1.441 -5.210 110 HH11 ARG 13 1HH1 ARG 13 0.401 -1.973 -5.679 111 HH12 ARG 13 2HH1 ARG 13 1.395 -2.158 -7.042 112 HH21 ARG 13 1HH2 ARG 13 2.583 1.175 -7.066 113 HH22 ARG 13 2HH2 ARG 13 2.703 -0.345 -7.817 114 H ABA 14 H ABA 14 1.109 4.198 -0.406 115 HA ABA 14 HA ABA 14 -0.797 3.259 1.580 116 HB3 ABA 14 1HB ABA 14 0.654 5.912 1.284 117 HB2 ABA 14 2HB ABA 14 1.163 4.612 2.345 118 HG1 ABA 14 3HG ABA 14 0.046 6.359 3.589 119 HG3 ABA 14 1HG ABA 14 -0.890 4.867 3.646 120 HG2 ABA 14 2HG ABA 14 -1.390 6.178 2.583 121 H VAL 15 H VAL 15 -2.378 2.959 -0.078 122 HA VAL 15 HA VAL 15 -3.413 5.450 -1.203 123 HB VAL 15 HB VAL 15 -3.643 2.640 -2.372 124 HG11 VAL 15 1HG1 VAL 15 -4.478 5.290 -3.547 125 HG12 VAL 15 2HG1 VAL 15 -5.553 4.058 -2.895 126 HG13 VAL 15 3HG1 VAL 15 -4.597 3.716 -4.341 127 HG21 VAL 15 3HG2 VAL 15 -2.009 4.984 -3.329 128 HG22 VAL 15 1HG2 VAL 15 -2.160 3.427 -4.140 129 HG23 VAL 15 2HG2 VAL 15 -1.375 3.532 -2.560 130 H ABA 16 H ABA 16 -5.718 5.621 -1.264 131 HA ABA 16 HA ABA 16 -7.025 3.973 0.742 132 HB3 ABA 16 1HB ABA 16 -6.898 6.162 1.629 133 HB2 ABA 16 2HB ABA 16 -8.539 6.007 1.010 134 HG1 ABA 16 3HG ABA 16 -6.295 7.429 -0.390 135 HG3 ABA 16 1HG ABA 16 -7.617 8.189 0.492 136 HG2 ABA 16 2HG ABA 16 -7.952 7.271 -0.975 137 H ARG 17 H ARG 17 -7.339 2.519 -1.122 138 HA ARG 17 HA ARG 17 -9.847 3.143 -2.474 139 HB2 ARG 17 2HB ARG 17 -7.453 1.645 -3.576 140 HB3 ARG 17 1HB ARG 17 -9.029 1.668 -4.355 141 HG2 ARG 17 2HG ARG 17 -8.837 4.034 -4.724 142 HG3 ARG 17 1HG ARG 17 -7.310 4.085 -3.845 143 HD2 ARG 17 2HD ARG 17 -6.875 4.089 -6.226 144 HD3 ARG 17 1HD ARG 17 -6.336 2.563 -5.537 145 HE ARG 17 HE ARG 17 -9.000 2.483 -6.566 146 HH11 ARG 17 1HH1 ARG 17 -5.582 2.138 -7.464 147 HH12 ARG 17 2HH1 ARG 17 -5.897 1.216 -8.854 148 HH21 ARG 17 1HH2 ARG 17 -9.430 1.251 -8.489 149 HH22 ARG 17 2HH2 ARG 17 -8.138 0.735 -9.483 150 H ARG 18 H ARG 18 -11.296 1.393 -2.447 151 HA ARG 18 HA ARG 18 -10.705 -0.590 -0.441 152 HB2 ARG 18 2HB ARG 18 -13.211 -0.249 -2.120 153 HB3 ARG 18 1HB ARG 18 -13.041 -1.374 -0.782 154 HG2 ARG 18 2HG ARG 18 -12.649 0.552 0.728 155 HG3 ARG 18 1HG ARG 18 -12.947 1.629 -0.633 156 HD2 ARG 18 2HD ARG 18 -14.963 1.465 0.665 157 HD3 ARG 18 1HD ARG 18 -15.205 0.625 -0.859 158 HE ARG 18 HE ARG 18 -14.710 -1.468 0.440 159 HH11 ARG 18 1HH1 ARG 18 -16.103 1.366 2.083 160 HH12 ARG 18 2HH1 ARG 18 -16.890 0.447 3.264 161 HH21 ARG 18 1HH2 ARG 18 -15.808 -2.699 2.049 162 HH22 ARG 18 2HH2 ARG 18 -16.733 -1.937 3.265 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -10.352 -1.492 -1.339 2 HA2 GLY 1 2HA GLY 1 -10.819 -3.544 -2.627 3 HA3 GLY 1 1HA GLY 1 -10.681 -2.541 -4.069 4 H VAL 2 H VAL 2 -8.478 -0.972 -3.146 5 HA VAL 2 HA VAL 2 -6.343 -2.902 -2.887 6 HB VAL 2 HB VAL 2 -5.026 -1.689 -4.746 7 HG11 VAL 2 1HG1 VAL 2 -7.416 -3.348 -5.518 8 HG12 VAL 2 2HG1 VAL 2 -5.849 -3.966 -5.002 9 HG13 VAL 2 3HG1 VAL 2 -5.990 -3.080 -6.520 10 HG21 VAL 2 3HG2 VAL 2 -6.392 -0.699 -6.559 11 HG22 VAL 2 1HG2 VAL 2 -6.494 0.232 -5.063 12 HG23 VAL 2 2HG2 VAL 2 -7.819 -0.834 -5.528 13 H ABA 3 H ABA 3 -6.044 -2.077 -0.839 14 HA ABA 3 HA ABA 3 -4.576 0.427 -0.822 15 HB3 ABA 3 1HB ABA 3 -6.717 1.100 -0.036 16 HB2 ABA 3 2HB ABA 3 -5.671 1.030 1.382 17 HG1 ABA 3 3HG ABA 3 -7.871 0.155 1.875 18 HG3 ABA 3 1HG ABA 3 -6.656 -1.121 1.991 19 HG2 ABA 3 2HG ABA 3 -7.704 -1.026 0.577 20 H ARG 4 H ARG 4 -2.749 -0.785 -0.827 21 HA ARG 4 HA ARG 4 -2.325 -2.752 1.223 22 HB2 ARG 4 2HB ARG 4 -0.439 -1.722 -0.888 23 HB3 ARG 4 1HB ARG 4 -0.116 -3.072 0.187 24 HG2 ARG 4 2HG ARG 4 -2.027 -4.273 -0.765 25 HG3 ARG 4 1HG ARG 4 -2.302 -2.921 -1.865 26 HD2 ARG 4 2HD ARG 4 -0.035 -3.258 -2.785 27 HD3 ARG 4 1HD ARG 4 0.152 -4.661 -1.736 28 HE ARG 4 HE ARG 4 -2.190 -5.005 -3.131 29 HH11 ARG 4 1HH1 ARG 4 1.267 -4.790 -3.931 30 HH12 ARG 4 2HH1 ARG 4 1.142 -5.766 -5.314 31 HH21 ARG 4 1HH2 ARG 4 -2.325 -6.375 -5.039 32 HH22 ARG 4 2HH2 ARG 4 -0.920 -6.692 -5.951 33 H ABA 5 H ABA 5 -1.829 -2.181 3.154 34 HA ABA 5 HA ABA 5 -0.285 0.223 3.679 35 HB3 ABA 5 1HB ABA 5 -1.510 -1.795 5.605 36 HB2 ABA 5 2HB ABA 5 -2.285 -0.300 5.098 37 HG1 ABA 5 3HG ABA 5 -1.322 -0.062 7.308 38 HG3 ABA 5 1HG ABA 5 -0.487 0.988 6.165 39 HG2 ABA 5 2HG ABA 5 0.261 -0.521 6.689 40 H VAL 6 H VAL 6 1.590 -0.504 2.690 41 HA VAL 6 HA VAL 6 3.007 -2.663 4.050 42 HB VAL 6 HB VAL 6 2.411 -3.321 1.792 43 HG11 VAL 6 1HG1 VAL 6 2.060 -1.186 0.772 44 HG12 VAL 6 2HG1 VAL 6 3.174 -2.143 -0.200 45 HG13 VAL 6 3HG1 VAL 6 3.790 -0.838 0.823 46 HG21 VAL 6 3HG2 VAL 6 5.341 -2.635 1.912 47 HG22 VAL 6 1HG2 VAL 6 4.616 -3.796 0.803 48 HG23 VAL 6 2HG2 VAL 6 4.585 -4.100 2.539 49 H ABA 7 H ABA 7 5.299 -2.335 4.326 50 HA ABA 7 HA ABA 7 6.108 0.447 4.117 51 HB3 ABA 7 1HB ABA 7 5.626 0.230 6.413 52 HB2 ABA 7 2HB ABA 7 7.370 -0.005 6.282 53 HG1 ABA 7 3HG ABA 7 5.369 -2.211 6.581 54 HG3 ABA 7 1HG ABA 7 6.409 -1.572 7.855 55 HG2 ABA 7 2HG ABA 7 7.112 -2.401 6.462 56 H ARG 8 H ARG 8 6.974 -0.565 2.044 57 HA ARG 8 HA ARG 8 9.546 -1.818 2.516 58 HB2 ARG 8 2HB ARG 8 7.673 -1.825 0.150 59 HB3 ARG 8 1HB ARG 8 9.348 -2.348 0.053 60 HG2 ARG 8 2HG ARG 8 7.309 -3.570 1.895 61 HG3 ARG 8 1HG ARG 8 7.715 -4.208 0.296 62 HD2 ARG 8 2HD ARG 8 10.068 -4.367 1.025 63 HD3 ARG 8 1HD ARG 8 9.572 -3.856 2.639 64 HE ARG 8 HE ARG 8 8.022 -6.005 2.128 65 HH11 ARG 8 1HH1 ARG 8 11.480 -5.379 2.059 66 HH12 ARG 8 2HH1 ARG 8 11.953 -6.955 2.473 67 HH21 ARG 8 1HH2 ARG 8 8.622 -8.205 2.676 68 HH22 ARG 8 2HH2 ARG 8 10.252 -8.620 2.857 69 H ARG 9 H ARG 9 11.188 -1.088 1.023 70 HA ARG 9 HA ARG 9 11.225 1.805 0.958 71 HB2 ARG 9 2HB ARG 9 13.384 -0.144 0.116 72 HB3 ARG 9 1HB ARG 9 13.578 1.587 0.304 73 HG2 ARG 9 2HG ARG 9 13.111 -0.463 2.462 74 HG3 ARG 9 1HG ARG 9 14.541 0.539 2.205 75 HD2 ARG 9 2HD ARG 9 11.807 1.448 3.086 76 HD3 ARG 9 1HD ARG 9 13.283 1.427 4.047 77 HE ARG 9 HE ARG 9 13.856 2.999 1.897 78 HH11 ARG 9 1HH1 ARG 9 11.505 3.057 4.528 79 HH12 ARG 9 2HH1 ARG 9 11.243 4.729 4.485 80 HH21 ARG 9 1HH2 ARG 9 13.502 5.340 1.797 81 HH22 ARG 9 2HH2 ARG 9 12.415 6.055 2.880 82 H GLY 10 H GLY 10 9.807 2.302 -0.586 83 HA2 GLY 10 2HA GLY 10 10.071 3.064 -2.970 84 HA3 GLY 10 1HA GLY 10 10.344 1.353 -3.320 85 H VAL 11 H VAL 11 8.611 0.039 -1.924 86 HA VAL 11 HA VAL 11 6.051 1.053 -2.881 87 HB VAL 11 HB VAL 11 6.750 -1.787 -2.036 88 HG11 VAL 11 1HG1 VAL 11 4.284 -0.696 -3.397 89 HG12 VAL 11 2HG1 VAL 11 4.384 -1.248 -1.726 90 HG13 VAL 11 3HG1 VAL 11 4.602 -2.396 -3.050 91 HG21 VAL 11 3HG2 VAL 11 6.657 -2.341 -4.414 92 HG22 VAL 11 1HG2 VAL 11 7.909 -1.139 -4.103 93 HG23 VAL 11 2HG2 VAL 11 6.372 -0.645 -4.809 94 H ABA 12 H ABA 12 5.813 2.454 -1.223 95 HA ABA 12 HA ABA 12 5.482 1.368 1.450 96 HB3 ABA 12 1HB ABA 12 5.027 3.736 2.122 97 HB2 ABA 12 2HB ABA 12 5.288 4.220 0.453 98 HG1 ABA 12 3HG ABA 12 7.577 3.397 0.572 99 HG3 ABA 12 1HG ABA 12 7.311 2.930 2.250 100 HG2 ABA 12 2HG ABA 12 7.257 4.638 1.788 101 H ARG 13 H ARG 13 3.525 2.627 2.526 102 HA ARG 13 HA ARG 13 1.225 1.335 1.855 103 HB2 ARG 13 2HB ARG 13 0.053 3.032 3.239 104 HB3 ARG 13 1HB ARG 13 1.439 2.277 4.004 105 HG2 ARG 13 2HG ARG 13 2.806 4.244 3.495 106 HG3 ARG 13 1HG ARG 13 1.416 5.008 2.728 107 HD2 ARG 13 2HD ARG 13 1.824 5.776 5.048 108 HD3 ARG 13 1HD ARG 13 0.231 5.071 4.805 109 HE ARG 13 HE ARG 13 0.870 3.189 5.989 110 HH11 ARG 13 1HH1 ARG 13 3.427 5.637 5.950 111 HH12 ARG 13 2HH1 ARG 13 4.220 5.064 7.333 112 HH21 ARG 13 1HH2 ARG 13 2.060 2.337 7.937 113 HH22 ARG 13 2HH2 ARG 13 3.454 3.170 8.431 114 H ABA 14 H ABA 14 -0.270 1.526 0.499 115 HA ABA 14 HA ABA 14 -0.247 3.596 -1.527 116 HB3 ABA 14 1HB ABA 14 -1.933 2.148 -2.587 117 HB2 ABA 14 2HB ABA 14 -1.944 1.112 -1.166 118 HG1 ABA 14 3HG ABA 14 -0.638 0.123 -2.949 119 HG3 ABA 14 1HG ABA 14 0.389 0.529 -1.575 120 HG2 ABA 14 2HG ABA 14 0.395 1.553 -3.007 121 H VAL 15 H VAL 15 -2.013 4.974 -1.859 122 HA VAL 15 HA VAL 15 -3.473 5.808 0.414 123 HB VAL 15 HB VAL 15 -2.966 7.325 -1.482 124 HG11 VAL 15 1HG1 VAL 15 -3.333 5.868 -3.379 125 HG12 VAL 15 2HG1 VAL 15 -4.323 7.317 -3.533 126 HG13 VAL 15 3HG1 VAL 15 -5.057 5.796 -3.022 127 HG21 VAL 15 3HG2 VAL 15 -5.909 7.096 -0.875 128 HG22 VAL 15 1HG2 VAL 15 -5.138 8.507 -1.601 129 HG23 VAL 15 2HG2 VAL 15 -4.704 8.008 0.032 130 H ABA 16 H ABA 16 -5.599 5.547 0.939 131 HA ABA 16 HA ABA 16 -6.492 2.929 0.611 132 HB3 ABA 16 1HB ABA 16 -8.510 3.662 1.926 133 HB2 ABA 16 2HB ABA 16 -7.820 5.281 1.926 134 HG1 ABA 16 3HG ABA 16 -7.307 4.128 3.989 135 HG3 ABA 16 1HG ABA 16 -5.833 4.430 3.067 136 HG2 ABA 16 2HG ABA 16 -6.547 2.817 3.090 137 H ARG 17 H ARG 17 -6.837 2.543 -1.513 138 HA ARG 17 HA ARG 17 -9.226 3.716 -2.668 139 HB2 ARG 17 2HB ARG 17 -7.199 1.793 -3.842 140 HB3 ARG 17 1HB ARG 17 -8.561 2.479 -4.713 141 HG2 ARG 17 2HG ARG 17 -6.184 3.978 -3.620 142 HG3 ARG 17 1HG ARG 17 -6.492 3.596 -5.312 143 HD2 ARG 17 2HD ARG 17 -8.203 5.355 -3.552 144 HD3 ARG 17 1HD ARG 17 -7.076 5.916 -4.779 145 HE ARG 17 HE ARG 17 -8.619 4.421 -6.284 146 HH11 ARG 17 1HH1 ARG 17 -9.721 6.521 -3.640 147 HH12 ARG 17 2HH1 ARG 17 -11.155 6.978 -4.425 148 HH21 ARG 17 1HH2 ARG 17 -10.583 5.024 -7.322 149 HH22 ARG 17 2HH2 ARG 17 -11.665 6.105 -6.571 150 H ARG 18 H ARG 18 -11.032 2.619 -2.488 151 HA ARG 18 HA ARG 18 -11.294 0.374 -0.842 152 HB2 ARG 18 2HB ARG 18 -13.224 1.383 -2.948 153 HB3 ARG 18 1HB ARG 18 -13.622 0.313 -1.616 154 HG2 ARG 18 2HG ARG 18 -13.133 2.079 -0.014 155 HG3 ARG 18 1HG ARG 18 -12.674 3.158 -1.332 156 HD2 ARG 18 2HD ARG 18 -14.954 2.954 -2.245 157 HD3 ARG 18 1HD ARG 18 -15.397 1.941 -0.877 158 HE ARG 18 HE ARG 18 -14.309 4.475 -0.109 159 HH11 ARG 18 1HH1 ARG 18 -17.301 2.800 -0.985 160 HH12 ARG 18 2HH1 ARG 18 -18.319 3.974 -0.323 161 HH21 ARG 18 1HH2 ARG 18 -15.692 6.070 0.812 162 HH22 ARG 18 2HH2 ARG 18 -17.390 5.894 0.732 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.140 -0.776 -3.347 2 HA2 GLY 1 2HA GLY 1 -8.297 -2.816 -2.170 3 HA3 GLY 1 1HA GLY 1 -7.414 -3.609 -3.465 4 H VAL 2 H VAL 2 -5.545 -1.248 -3.448 5 HA VAL 2 HA VAL 2 -3.817 -2.354 -1.412 6 HB VAL 2 HB VAL 2 -3.216 -0.189 -3.455 7 HG11 VAL 2 1HG1 VAL 2 -1.367 -1.841 -1.734 8 HG12 VAL 2 2HG1 VAL 2 -1.713 -0.128 -1.533 9 HG13 VAL 2 3HG1 VAL 2 -0.855 -0.694 -2.968 10 HG21 VAL 2 3HG2 VAL 2 -3.771 -2.292 -4.568 11 HG22 VAL 2 1HG2 VAL 2 -2.594 -3.143 -3.569 12 HG23 VAL 2 2HG2 VAL 2 -2.049 -1.935 -4.733 13 H ABA 3 H ABA 3 -4.803 -1.665 0.345 14 HA ABA 3 HA ABA 3 -5.099 1.182 0.908 15 HB3 ABA 3 1HB ABA 3 -6.205 0.454 2.956 16 HB2 ABA 3 2HB ABA 3 -5.717 -1.212 2.672 17 HG1 ABA 3 3HG ABA 3 -7.134 -1.309 0.699 18 HG3 ABA 3 1HG ABA 3 -7.637 0.360 0.961 19 HG2 ABA 3 2HG ABA 3 -8.063 -0.886 2.136 20 H ARG 4 H ARG 4 -4.332 1.579 3.425 21 HA ARG 4 HA ARG 4 -1.572 1.594 3.457 22 HB2 ARG 4 2HB ARG 4 -2.815 2.981 4.992 23 HB3 ARG 4 1HB ARG 4 -3.468 1.576 5.829 24 HG2 ARG 4 2HG ARG 4 -1.728 2.576 7.171 25 HG3 ARG 4 1HG ARG 4 -1.165 1.020 6.558 26 HD2 ARG 4 2HD ARG 4 -0.015 2.260 4.709 27 HD3 ARG 4 1HD ARG 4 -0.437 3.760 5.533 28 HE ARG 4 HE ARG 4 0.839 2.056 7.331 29 HH11 ARG 4 1HH1 ARG 4 1.627 4.052 4.483 30 HH12 ARG 4 2HH1 ARG 4 3.281 4.178 4.883 31 HH21 ARG 4 1HH2 ARG 4 3.148 2.265 7.829 32 HH22 ARG 4 2HH2 ARG 4 4.131 3.197 6.809 33 H ABA 5 H ABA 5 -0.085 0.124 3.659 34 HA ABA 5 HA ABA 5 -0.715 -2.443 4.873 35 HB3 ABA 5 1HB ABA 5 -1.266 -2.736 2.575 36 HB2 ABA 5 2HB ABA 5 0.261 -3.562 2.859 37 HG1 ABA 5 3HG ABA 5 0.286 -2.360 0.742 38 HG3 ABA 5 1HG ABA 5 1.466 -1.686 1.865 39 HG2 ABA 5 2HG ABA 5 -0.061 -0.852 1.586 40 H VAL 6 H VAL 6 1.534 -3.776 4.166 41 HA VAL 6 HA VAL 6 3.535 -2.894 5.900 42 HB VAL 6 HB VAL 6 3.740 -4.830 3.559 43 HG11 VAL 6 1HG1 VAL 6 5.971 -4.062 4.260 44 HG12 VAL 6 2HG1 VAL 6 5.715 -5.757 4.653 45 HG13 VAL 6 3HG1 VAL 6 5.603 -4.534 5.921 46 HG21 VAL 6 3HG2 VAL 6 2.083 -5.491 5.210 47 HG22 VAL 6 1HG2 VAL 6 3.286 -5.332 6.488 48 HG23 VAL 6 2HG2 VAL 6 3.479 -6.572 5.249 49 H ABA 7 H ABA 7 5.457 -1.874 5.553 50 HA ABA 7 HA ABA 7 5.562 0.048 3.467 51 HB3 ABA 7 1HB ABA 7 7.715 0.705 4.549 52 HB2 ABA 7 2HB ABA 7 7.551 -0.676 5.620 53 HG1 ABA 7 3HG ABA 7 6.849 1.379 6.716 54 HG3 ABA 7 1HG ABA 7 5.504 0.253 6.544 55 HG2 ABA 7 2HG ABA 7 5.637 1.634 5.462 56 H ARG 8 H ARG 8 5.590 -1.389 1.670 57 HA ARG 8 HA ARG 8 8.156 -2.631 1.209 58 HB2 ARG 8 2HB ARG 8 5.552 -2.859 -0.302 59 HB3 ARG 8 1HB ARG 8 7.056 -3.575 -0.859 60 HG2 ARG 8 2HG ARG 8 7.135 -4.826 1.330 61 HG3 ARG 8 1HG ARG 8 5.494 -4.250 1.619 62 HD2 ARG 8 2HD ARG 8 6.367 -5.876 -0.765 63 HD3 ARG 8 1HD ARG 8 5.576 -6.524 0.664 64 HE ARG 8 HE ARG 8 3.904 -4.566 -0.242 65 HH11 ARG 8 1HH1 ARG 8 5.353 -7.411 -1.760 66 HH12 ARG 8 2HH1 ARG 8 3.969 -7.779 -2.687 67 HH21 ARG 8 1HH2 ARG 8 2.009 -5.102 -1.539 68 HH22 ARG 8 2HH2 ARG 8 2.034 -6.460 -2.555 69 H ARG 9 H ARG 9 9.533 -1.779 -0.054 70 HA ARG 9 HA ARG 9 9.393 0.968 -0.438 71 HB2 ARG 9 2HB ARG 9 11.405 -0.947 -1.578 72 HB3 ARG 9 1HB ARG 9 11.605 0.794 -1.397 73 HG2 ARG 9 2HG ARG 9 11.325 0.529 1.047 74 HG3 ARG 9 1HG ARG 9 11.258 -1.210 0.808 75 HD2 ARG 9 2HD ARG 9 13.477 -0.618 1.468 76 HD3 ARG 9 1HD ARG 9 13.489 -1.117 -0.223 77 HE ARG 9 HE ARG 9 13.175 1.688 0.063 78 HH11 ARG 9 1HH1 ARG 9 15.560 -0.920 0.078 79 HH12 ARG 9 2HH1 ARG 9 16.880 0.084 -0.294 80 HH21 ARG 9 1HH2 ARG 9 15.017 3.087 -0.472 81 HH22 ARG 9 2HH2 ARG 9 16.561 2.402 -0.607 82 H GLY 10 H GLY 10 8.100 1.867 -1.783 83 HA2 GLY 10 2HA GLY 10 8.004 2.762 -4.007 84 HA3 GLY 10 1HA GLY 10 8.382 1.154 -4.607 85 H VAL 11 H VAL 11 6.350 0.335 -2.278 86 HA VAL 11 HA VAL 11 3.967 1.039 -3.747 87 HB VAL 11 HB VAL 11 4.832 -1.022 -4.770 88 HG11 VAL 11 1HG1 VAL 11 4.731 -3.191 -3.620 89 HG12 VAL 11 2HG1 VAL 11 4.438 -2.331 -2.107 90 HG13 VAL 11 3HG1 VAL 11 5.952 -2.090 -2.977 91 HG21 VAL 11 3HG2 VAL 11 2.740 -2.374 -4.709 92 HG22 VAL 11 1HG2 VAL 11 2.456 -0.648 -4.929 93 HG23 VAL 11 2HG2 VAL 11 2.191 -1.391 -3.354 94 H ABA 12 H ABA 12 4.985 1.815 -1.339 95 HA ABA 12 HA ABA 12 3.121 0.633 0.577 96 HB3 ABA 12 1HB ABA 12 5.377 2.617 1.014 97 HB2 ABA 12 2HB ABA 12 5.417 0.902 1.383 98 HG1 ABA 12 3HG ABA 12 3.621 2.925 2.696 99 HG3 ABA 12 1HG ABA 12 5.085 2.227 3.385 100 HG2 ABA 12 2HG ABA 12 3.687 1.201 3.064 101 H ARG 13 H ARG 13 1.213 1.530 0.717 102 HA ARG 13 HA ARG 13 0.960 4.362 0.033 103 HB2 ARG 13 2HB ARG 13 -0.949 2.093 -0.499 104 HB3 ARG 13 1HB ARG 13 -1.416 3.777 -0.613 105 HG2 ARG 13 2HG ARG 13 0.241 4.130 -2.366 106 HG3 ARG 13 1HG ARG 13 0.726 2.433 -2.246 107 HD2 ARG 13 2HD ARG 13 -1.458 1.707 -2.946 108 HD3 ARG 13 1HD ARG 13 -2.064 3.360 -2.901 109 HE ARG 13 HE ARG 13 -0.091 3.603 -4.622 110 HH11 ARG 13 1HH1 ARG 13 -2.601 1.114 -4.465 111 HH12 ARG 13 2HH1 ARG 13 -2.724 0.881 -6.143 112 HH21 ARG 13 1HH2 ARG 13 -0.277 3.345 -6.938 113 HH22 ARG 13 2HH2 ARG 13 -1.335 2.209 -7.616 114 H ABA 14 H ABA 14 -0.658 5.535 1.130 115 HA ABA 14 HA ABA 14 -1.774 4.324 3.559 116 HB3 ABA 14 1HB ABA 14 0.074 5.870 4.199 117 HB2 ABA 14 2HB ABA 14 -1.483 6.483 4.738 118 HG1 ABA 14 3HG ABA 14 -0.156 8.284 3.892 119 HG3 ABA 14 1HG ABA 14 -1.537 8.019 2.834 120 HG2 ABA 14 2HG ABA 14 0.064 7.459 2.354 121 H VAL 15 H VAL 15 -2.672 4.612 0.937 122 HA VAL 15 HA VAL 15 -5.142 6.054 1.372 123 HB VAL 15 HB VAL 15 -3.795 7.633 0.112 124 HG11 VAL 15 1HG1 VAL 15 -2.892 7.144 -2.139 125 HG12 VAL 15 2HG1 VAL 15 -3.321 5.447 -1.912 126 HG13 VAL 15 3HG1 VAL 15 -2.127 6.201 -0.862 127 HG21 VAL 15 3HG2 VAL 15 -5.167 7.926 -1.935 128 HG22 VAL 15 1HG2 VAL 15 -6.134 7.586 -0.500 129 HG23 VAL 15 2HG2 VAL 15 -5.839 6.315 -1.680 130 H ABA 16 H ABA 16 -6.809 5.035 0.528 131 HA ABA 16 HA ABA 16 -6.461 2.257 -0.125 132 HB3 ABA 16 1HB ABA 16 -8.907 2.190 -0.161 133 HB2 ABA 16 2HB ABA 16 -8.977 3.948 -0.076 134 HG1 ABA 16 3HG ABA 16 -7.885 2.131 2.062 135 HG3 ABA 16 1HG ABA 16 -9.446 2.948 2.084 136 HG2 ABA 16 2HG ABA 16 -7.955 3.885 2.135 137 H ARG 17 H ARG 17 -5.559 1.990 -2.093 138 HA ARG 17 HA ARG 17 -7.016 3.146 -4.342 139 HB2 ARG 17 2HB ARG 17 -4.053 2.742 -4.054 140 HB3 ARG 17 1HB ARG 17 -4.835 3.057 -5.593 141 HG2 ARG 17 2HG ARG 17 -4.974 4.874 -3.207 142 HG3 ARG 17 1HG ARG 17 -3.837 5.064 -4.546 143 HD2 ARG 17 2HD ARG 17 -6.852 5.131 -4.736 144 HD3 ARG 17 1HD ARG 17 -5.778 6.518 -4.818 145 HE ARG 17 HE ARG 17 -4.800 5.350 -6.830 146 HH11 ARG 17 1HH1 ARG 17 -8.230 5.007 -5.961 147 HH12 ARG 17 2HH1 ARG 17 -8.767 4.729 -7.534 148 HH21 ARG 17 1HH2 ARG 17 -5.543 4.974 -9.016 149 HH22 ARG 17 2HH2 ARG 17 -7.186 4.712 -9.331 150 H ARG 18 H ARG 18 -8.247 1.505 -4.920 151 HA ARG 18 HA ARG 18 -8.913 -0.385 -5.921 152 HB2 ARG 18 2HB ARG 18 -6.136 -0.218 -7.034 153 HB3 ARG 18 1HB ARG 18 -7.344 -1.351 -7.630 154 HG2 ARG 18 2HG ARG 18 -7.521 1.661 -7.691 155 HG3 ARG 18 1HG ARG 18 -7.174 0.611 -9.066 156 HD2 ARG 18 2HD ARG 18 -9.394 -0.472 -8.709 157 HD3 ARG 18 1HD ARG 18 -9.726 0.733 -7.468 158 HE ARG 18 HE ARG 18 -9.111 2.269 -9.543 159 HH11 ARG 18 1HH1 ARG 18 -11.354 -0.416 -9.184 160 HH12 ARG 18 2HH1 ARG 18 -12.362 0.033 -10.470 161 HH21 ARG 18 1HH2 ARG 18 -10.500 2.958 -11.281 162 HH22 ARG 18 2HH2 ARG 18 -11.853 2.027 -11.717 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -9.890 -1.624 -1.498 2 HA2 GLY 1 2HA GLY 1 -10.594 -4.051 -2.479 3 HA3 GLY 1 1HA GLY 1 -10.137 -3.129 -3.915 4 H VAL 2 H VAL 2 -8.255 -1.480 -2.837 5 HA VAL 2 HA VAL 2 -6.257 -3.201 -1.670 6 HB VAL 2 HB VAL 2 -5.703 -3.173 -4.064 7 HG11 VAL 2 1HG1 VAL 2 -6.809 -1.137 -4.756 8 HG12 VAL 2 2HG1 VAL 2 -5.125 -1.146 -5.288 9 HG13 VAL 2 3HG1 VAL 2 -5.607 -0.172 -3.897 10 HG21 VAL 2 3HG2 VAL 2 -3.829 -3.198 -2.527 11 HG22 VAL 2 1HG2 VAL 2 -3.817 -1.436 -2.477 12 HG23 VAL 2 2HG2 VAL 2 -3.409 -2.277 -3.970 13 H ABA 3 H ABA 3 -6.004 -2.375 0.220 14 HA ABA 3 HA ABA 3 -6.191 0.504 0.629 15 HB3 ABA 3 1HB ABA 3 -5.942 -1.722 2.672 16 HB2 ABA 3 2HB ABA 3 -7.483 -1.146 2.059 17 HG1 ABA 3 3HG ABA 3 -7.005 -0.173 4.231 18 HG3 ABA 3 1HG ABA 3 -7.029 1.073 2.979 19 HG2 ABA 3 2HG ABA 3 -5.492 0.490 3.611 20 H ARG 4 H ARG 4 -4.548 1.407 2.116 21 HA ARG 4 HA ARG 4 -1.987 0.902 1.065 22 HB2 ARG 4 2HB ARG 4 -1.228 2.744 2.604 23 HB3 ARG 4 1HB ARG 4 -2.482 3.171 1.454 24 HG2 ARG 4 2HG ARG 4 -4.150 3.131 3.197 25 HG3 ARG 4 1HG ARG 4 -2.959 2.534 4.358 26 HD2 ARG 4 2HD ARG 4 -2.784 5.182 2.916 27 HD3 ARG 4 1HD ARG 4 -3.377 4.971 4.562 28 HE ARG 4 HE ARG 4 -0.980 3.816 4.697 29 HH11 ARG 4 1HH1 ARG 4 -1.920 7.028 3.482 30 HH12 ARG 4 2HH1 ARG 4 -0.421 7.745 3.788 31 HH21 ARG 4 1HH2 ARG 4 1.090 4.824 5.156 32 HH22 ARG 4 2HH2 ARG 4 1.320 6.465 4.766 33 H ABA 5 H ABA 5 -1.319 -1.021 1.590 34 HA ABA 5 HA ABA 5 -0.550 -1.422 4.384 35 HB3 ABA 5 1HB ABA 5 -0.667 -3.444 2.119 36 HB2 ABA 5 2HB ABA 5 -1.945 -3.243 3.312 37 HG1 ABA 5 3HG ABA 5 0.873 -4.131 3.856 38 HG3 ABA 5 1HG ABA 5 -0.563 -5.152 3.845 39 HG2 ABA 5 2HG ABA 5 -0.380 -3.904 5.078 40 H VAL 6 H VAL 6 1.301 -0.302 4.466 41 HA VAL 6 HA VAL 6 3.002 -0.255 2.166 42 HB VAL 6 HB VAL 6 4.418 1.370 3.403 43 HG11 VAL 6 1HG1 VAL 6 2.727 3.170 3.531 44 HG12 VAL 6 2HG1 VAL 6 1.461 1.949 3.404 45 HG13 VAL 6 3HG1 VAL 6 2.589 2.191 2.071 46 HG21 VAL 6 3HG2 VAL 6 4.049 0.547 5.702 47 HG22 VAL 6 1HG2 VAL 6 2.377 1.106 5.622 48 HG23 VAL 6 2HG2 VAL 6 3.699 2.267 5.554 49 H ABA 7 H ABA 7 3.848 -2.165 1.815 50 HA ABA 7 HA ABA 7 5.791 -3.106 3.774 51 HB3 ABA 7 1HB ABA 7 5.288 -5.373 2.922 52 HB2 ABA 7 2HB ABA 7 3.975 -4.707 1.969 53 HG1 ABA 7 3HG ABA 7 2.881 -3.956 4.030 54 HG3 ABA 7 1HG ABA 7 4.134 -4.755 4.968 55 HG2 ABA 7 2HG ABA 7 3.059 -5.711 3.944 56 H ARG 8 H ARG 8 6.745 -1.289 1.974 57 HA ARG 8 HA ARG 8 8.433 -2.953 0.447 58 HB2 ARG 8 2HB ARG 8 6.507 -1.104 -0.865 59 HB3 ARG 8 1HB ARG 8 8.151 -1.098 -1.487 60 HG2 ARG 8 2HG ARG 8 7.970 -3.558 -1.809 61 HG3 ARG 8 1HG ARG 8 6.289 -3.456 -1.303 62 HD2 ARG 8 2HD ARG 8 5.757 -2.059 -3.194 63 HD3 ARG 8 1HD ARG 8 7.462 -1.967 -3.651 64 HE ARG 8 HE ARG 8 6.620 -4.652 -3.519 65 HH11 ARG 8 1HH1 ARG 8 6.257 -1.801 -5.660 66 HH12 ARG 8 2HH1 ARG 8 6.068 -2.726 -7.058 67 HH21 ARG 8 1HH2 ARG 8 6.337 -5.888 -5.489 68 HH22 ARG 8 2HH2 ARG 8 6.124 -5.095 -6.973 69 H ARG 9 H ARG 9 10.259 -2.440 0.983 70 HA ARG 9 HA ARG 9 10.879 0.021 2.283 71 HB2 ARG 9 2HB ARG 9 12.341 -2.533 1.712 72 HB3 ARG 9 1HB ARG 9 13.268 -1.119 2.165 73 HG2 ARG 9 2HG ARG 9 12.790 -2.609 4.071 74 HG3 ARG 9 1HG ARG 9 12.125 -0.998 4.295 75 HD2 ARG 9 2HD ARG 9 10.545 -2.681 5.062 76 HD3 ARG 9 1HD ARG 9 9.914 -1.839 3.649 77 HE ARG 9 HE ARG 9 11.216 -4.106 2.738 78 HH11 ARG 9 1HH1 ARG 9 8.383 -3.399 4.744 79 HH12 ARG 9 2HH1 ARG 9 7.591 -4.858 4.385 80 HH21 ARG 9 1HH2 ARG 9 10.112 -6.036 2.167 81 HH22 ARG 9 2HH2 ARG 9 8.584 -6.396 2.827 82 H GLY 10 H GLY 10 10.364 1.350 0.607 83 HA2 GLY 10 2HA GLY 10 12.274 2.583 -0.817 84 HA3 GLY 10 1HA GLY 10 11.786 1.276 -1.888 85 H VAL 11 H VAL 11 8.989 1.245 -0.886 86 HA VAL 11 HA VAL 11 8.068 3.845 -1.585 87 HB VAL 11 HB VAL 11 8.376 2.931 -3.826 88 HG11 VAL 11 1HG1 VAL 11 6.553 0.689 -3.010 89 HG12 VAL 11 2HG1 VAL 11 8.267 0.575 -3.417 90 HG13 VAL 11 3HG1 VAL 11 7.093 1.025 -4.654 91 HG21 VAL 11 3HG2 VAL 11 6.509 4.441 -3.525 92 HG22 VAL 11 1HG2 VAL 11 5.468 3.095 -3.061 93 HG23 VAL 11 2HG2 VAL 11 6.086 3.202 -4.708 94 H ABA 12 H ABA 12 6.643 4.300 -0.234 95 HA ABA 12 HA ABA 12 5.150 2.250 1.133 96 HB3 ABA 12 1HB ABA 12 4.347 4.168 2.530 97 HB2 ABA 12 2HB ABA 12 5.311 5.242 1.521 98 HG1 ABA 12 3HG ABA 12 7.337 4.115 2.211 99 HG3 ABA 12 1HG ABA 12 6.391 3.014 3.214 100 HG2 ABA 12 2HG ABA 12 6.436 4.733 3.601 101 H ARG 13 H ARG 13 3.738 1.526 -0.266 102 HA ARG 13 HA ARG 13 2.219 2.948 -2.145 103 HB2 ARG 13 2HB ARG 13 2.743 0.496 -2.133 104 HB3 ARG 13 1HB ARG 13 1.557 0.297 -0.858 105 HG2 ARG 13 2HG ARG 13 -0.207 1.027 -2.375 106 HG3 ARG 13 1HG ARG 13 0.983 1.258 -3.660 107 HD2 ARG 13 2HD ARG 13 1.615 -1.135 -3.420 108 HD3 ARG 13 1HD ARG 13 0.292 -1.327 -2.273 109 HE ARG 13 HE ARG 13 -0.839 -0.282 -4.546 110 HH11 ARG 13 1HH1 ARG 13 0.991 -3.230 -3.756 111 HH12 ARG 13 2HH1 ARG 13 0.307 -4.140 -5.015 112 HH21 ARG 13 1HH2 ARG 13 -1.770 -1.561 -6.237 113 HH22 ARG 13 2HH2 ARG 13 -1.267 -3.190 -6.458 114 H ABA 14 H ABA 14 1.111 4.623 -1.313 115 HA ABA 14 HA ABA 14 -0.629 4.233 0.985 116 HB3 ABA 14 1HB ABA 14 0.863 6.068 1.299 117 HB2 ABA 14 2HB ABA 14 -0.728 6.748 1.025 118 HG1 ABA 14 3HG ABA 14 1.481 6.587 -1.020 119 HG3 ABA 14 1HG ABA 14 0.968 8.030 -0.139 120 HG2 ABA 14 2HG ABA 14 -0.127 7.264 -1.287 121 H VAL 15 H VAL 15 -2.029 2.984 -0.508 122 HA VAL 15 HA VAL 15 -3.720 4.778 -2.068 123 HB VAL 15 HB VAL 15 -4.542 2.709 -3.260 124 HG11 VAL 15 1HG1 VAL 15 -1.593 3.322 -3.405 125 HG12 VAL 15 2HG1 VAL 15 -2.884 4.176 -4.255 126 HG13 VAL 15 3HG1 VAL 15 -2.526 2.497 -4.652 127 HG21 VAL 15 3HG2 VAL 15 -3.113 0.689 -3.143 128 HG22 VAL 15 1HG2 VAL 15 -3.912 1.020 -1.603 129 HG23 VAL 15 2HG2 VAL 15 -2.212 1.426 -1.819 130 H ABA 16 H ABA 16 -5.620 5.294 -1.262 131 HA ABA 16 HA ABA 16 -6.807 3.475 0.665 132 HB3 ABA 16 1HB ABA 16 -6.597 5.663 1.621 133 HB2 ABA 16 2HB ABA 16 -8.300 5.448 1.223 134 HG1 ABA 16 3HG ABA 16 -8.027 6.799 -0.784 135 HG3 ABA 16 1HG ABA 16 -6.332 7.051 -0.377 136 HG2 ABA 16 2HG ABA 16 -7.592 7.690 0.675 137 H ARG 17 H ARG 17 -7.254 2.103 -1.283 138 HA ARG 17 HA ARG 17 -9.645 3.033 -2.656 139 HB2 ARG 17 2HB ARG 17 -7.657 0.954 -3.595 140 HB3 ARG 17 1HB ARG 17 -9.046 1.551 -4.488 141 HG2 ARG 17 2HG ARG 17 -6.602 3.140 -3.732 142 HG3 ARG 17 1HG ARG 17 -6.986 2.515 -5.335 143 HD2 ARG 17 2HD ARG 17 -8.622 4.550 -3.806 144 HD3 ARG 17 1HD ARG 17 -7.462 4.914 -5.076 145 HE ARG 17 HE ARG 17 -9.197 3.168 -6.229 146 HH11 ARG 17 1HH1 ARG 17 -9.598 6.279 -4.556 147 HH12 ARG 17 2HH1 ARG 17 -10.880 6.813 -5.524 148 HH21 ARG 17 1HH2 ARG 17 -11.003 3.925 -7.591 149 HH22 ARG 17 2HH2 ARG 17 -11.659 5.471 -7.298 150 H ARG 18 H ARG 18 -11.295 1.605 -2.817 151 HA ARG 18 HA ARG 18 -11.451 -0.322 -0.682 152 HB2 ARG 18 2HB ARG 18 -13.500 0.639 -2.671 153 HB3 ARG 18 1HB ARG 18 -13.840 -0.530 -1.399 154 HG2 ARG 18 2HG ARG 18 -13.284 1.072 0.300 155 HG3 ARG 18 1HG ARG 18 -12.779 2.239 -0.921 156 HD2 ARG 18 2HD ARG 18 -15.013 2.394 -1.757 157 HD3 ARG 18 1HD ARG 18 -15.566 1.137 -0.644 158 HE ARG 18 HE ARG 18 -14.583 2.864 1.055 159 HH11 ARG 18 1HH1 ARG 18 -16.615 3.516 -1.772 160 HH12 ARG 18 2HH1 ARG 18 -17.310 4.906 -1.097 161 HH21 ARG 18 1HH2 ARG 18 -15.628 4.685 1.992 162 HH22 ARG 18 2HH2 ARG 18 -16.776 5.583 1.109 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.090 -2.026 -1.367 2 HA2 GLY 1 2HA GLY 1 -10.814 -3.861 -2.992 3 HA3 GLY 1 1HA GLY 1 -10.668 -2.563 -4.178 4 H VAL 2 H VAL 2 -8.530 -1.216 -3.390 5 HA VAL 2 HA VAL 2 -6.330 -3.095 -3.187 6 HB VAL 2 HB VAL 2 -5.115 -1.802 -5.075 7 HG11 VAL 2 1HG1 VAL 2 -6.099 -3.190 -6.848 8 HG12 VAL 2 2HG1 VAL 2 -7.464 -3.557 -5.791 9 HG13 VAL 2 3HG1 VAL 2 -5.839 -4.103 -5.365 10 HG21 VAL 2 3HG2 VAL 2 -7.965 -1.063 -5.786 11 HG22 VAL 2 1HG2 VAL 2 -6.549 -0.802 -6.807 12 HG23 VAL 2 2HG2 VAL 2 -6.705 0.065 -5.280 13 H ABA 3 H ABA 3 -6.286 -2.146 -1.083 14 HA ABA 3 HA ABA 3 -5.046 0.486 -1.117 15 HB3 ABA 3 1HB ABA 3 -7.023 0.601 0.229 16 HB2 ABA 3 2HB ABA 3 -5.655 0.619 1.330 17 HG1 ABA 3 3HG ABA 3 -7.391 -1.751 0.749 18 HG3 ABA 3 1HG ABA 3 -7.449 -0.743 2.197 19 HG2 ABA 3 2HG ABA 3 -6.020 -1.722 1.859 20 H ARG 4 H ARG 4 -2.979 0.171 -1.357 21 HA ARG 4 HA ARG 4 -1.594 -2.013 -0.141 22 HB2 ARG 4 2HB ARG 4 -0.581 0.423 -1.619 23 HB3 ARG 4 1HB ARG 4 0.520 -0.694 -0.838 24 HG2 ARG 4 2HG ARG 4 0.428 -1.256 -3.155 25 HG3 ARG 4 1HG ARG 4 -0.421 -2.515 -2.278 26 HD2 ARG 4 2HD ARG 4 -2.568 -1.384 -2.866 27 HD3 ARG 4 1HD ARG 4 -1.647 -0.252 -3.860 28 HE ARG 4 HE ARG 4 -1.313 -3.091 -4.389 29 HH11 ARG 4 1HH1 ARG 4 -2.861 -0.065 -5.430 30 HH12 ARG 4 2HH1 ARG 4 -3.209 -0.661 -6.987 31 HH21 ARG 4 1HH2 ARG 4 -1.840 -3.846 -6.537 32 HH22 ARG 4 2HH2 ARG 4 -2.647 -2.798 -7.616 33 H ABA 5 H ABA 5 -1.328 -2.176 1.899 34 HA ABA 5 HA ABA 5 -0.875 0.244 3.488 35 HB3 ABA 5 1HB ABA 5 -2.060 -2.424 4.349 36 HB2 ABA 5 2HB ABA 5 -3.014 -1.030 3.878 37 HG1 ABA 5 3HG ABA 5 -2.952 -1.243 6.280 38 HG3 ABA 5 1HG ABA 5 -2.135 0.233 5.762 39 HG2 ABA 5 2HG ABA 5 -1.191 -1.173 6.252 40 H VAL 6 H VAL 6 1.131 -1.070 2.093 41 HA VAL 6 HA VAL 6 2.678 -2.441 4.180 42 HB VAL 6 HB VAL 6 4.219 -3.184 2.381 43 HG11 VAL 6 1HG1 VAL 6 1.333 -3.903 1.926 44 HG12 VAL 6 2HG1 VAL 6 2.445 -4.672 3.061 45 HG13 VAL 6 3HG1 VAL 6 2.712 -4.820 1.323 46 HG21 VAL 6 3HG2 VAL 6 3.866 -1.383 0.762 47 HG22 VAL 6 1HG2 VAL 6 2.206 -1.927 0.500 48 HG23 VAL 6 2HG2 VAL 6 3.558 -2.949 0.015 49 H ABA 7 H ABA 7 5.044 -1.915 4.178 50 HA ABA 7 HA ABA 7 5.627 0.736 3.235 51 HB3 ABA 7 1HB ABA 7 5.955 0.025 6.158 52 HB2 ABA 7 2HB ABA 7 4.646 1.020 5.531 53 HG1 ABA 7 3HG ABA 7 7.581 1.657 5.411 54 HG3 ABA 7 1HG ABA 7 6.381 2.401 6.465 55 HG2 ABA 7 2HG ABA 7 6.293 2.642 4.719 56 H ARG 8 H ARG 8 6.907 -0.550 1.852 57 HA ARG 8 HA ARG 8 9.218 -1.797 3.070 58 HB2 ARG 8 2HB ARG 8 7.916 -2.013 0.370 59 HB3 ARG 8 1HB ARG 8 9.474 -2.731 0.735 60 HG2 ARG 8 2HG ARG 8 8.438 -4.162 2.403 61 HG3 ARG 8 1HG ARG 8 6.882 -3.373 2.119 62 HD2 ARG 8 2HD ARG 8 7.109 -5.542 0.953 63 HD3 ARG 8 1HD ARG 8 6.829 -4.192 -0.144 64 HE ARG 8 HE ARG 8 9.593 -4.655 0.181 65 HH11 ARG 8 1HH1 ARG 8 6.758 -6.036 -1.434 66 HH12 ARG 8 2HH1 ARG 8 7.638 -6.732 -2.711 67 HH21 ARG 8 1HH2 ARG 8 10.800 -5.592 -1.574 68 HH22 ARG 8 2HH2 ARG 8 10.013 -6.497 -2.777 69 H ARG 9 H ARG 9 11.213 -1.162 2.283 70 HA ARG 9 HA ARG 9 11.289 1.593 1.498 71 HB2 ARG 9 2HB ARG 9 13.557 -0.343 2.003 72 HB3 ARG 9 1HB ARG 9 13.763 1.369 1.669 73 HG2 ARG 9 2HG ARG 9 12.463 1.905 3.693 74 HG3 ARG 9 1HG ARG 9 12.342 0.182 4.042 75 HD2 ARG 9 2HD ARG 9 14.903 1.751 3.808 76 HD3 ARG 9 1HD ARG 9 14.139 1.265 5.318 77 HE ARG 9 HE ARG 9 14.431 -1.067 4.086 78 HH11 ARG 9 1HH1 ARG 9 16.751 1.572 4.588 79 HH12 ARG 9 2HH1 ARG 9 18.120 0.559 4.595 80 HH21 ARG 9 1HH2 ARG 9 16.312 -2.465 4.150 81 HH22 ARG 9 2HH2 ARG 9 17.855 -1.813 4.360 82 H GLY 10 H GLY 10 10.338 1.548 -0.431 83 HA2 GLY 10 2HA GLY 10 11.615 1.853 -2.727 84 HA3 GLY 10 1HA GLY 10 11.524 0.092 -2.658 85 H VAL 11 H VAL 11 9.059 0.012 -1.252 86 HA VAL 11 HA VAL 11 7.165 1.323 -2.959 87 HB VAL 11 HB VAL 11 7.432 -0.774 -4.153 88 HG11 VAL 11 1HG1 VAL 11 6.898 -2.226 -1.574 89 HG12 VAL 11 2HG1 VAL 11 8.438 -2.147 -2.427 90 HG13 VAL 11 3HG1 VAL 11 7.060 -2.974 -3.163 91 HG21 VAL 11 3HG2 VAL 11 5.158 0.023 -4.060 92 HG22 VAL 11 1HG2 VAL 11 4.890 -0.811 -2.528 93 HG23 VAL 11 2HG2 VAL 11 5.157 -1.740 -4.000 94 H ABA 12 H ABA 12 6.091 2.448 -1.552 95 HA ABA 12 HA ABA 12 5.572 1.260 1.053 96 HB3 ABA 12 1HB ABA 12 5.250 3.605 1.857 97 HB2 ABA 12 2HB ABA 12 5.695 4.169 0.250 98 HG1 ABA 12 3HG ABA 12 7.558 4.354 1.761 99 HG3 ABA 12 1HG ABA 12 7.897 3.180 0.490 100 HG2 ABA 12 2HG ABA 12 7.474 2.624 2.106 101 H ARG 13 H ARG 13 3.607 2.906 1.920 102 HA ARG 13 HA ARG 13 1.339 1.560 0.964 103 HB2 ARG 13 2HB ARG 13 0.099 2.872 2.580 104 HB3 ARG 13 1HB ARG 13 1.573 2.235 3.287 105 HG2 ARG 13 2HG ARG 13 2.637 4.413 3.044 106 HG3 ARG 13 1HG ARG 13 1.161 5.064 2.331 107 HD2 ARG 13 2HD ARG 13 1.256 5.669 4.666 108 HD3 ARG 13 1HD ARG 13 -0.047 4.512 4.423 109 HE ARG 13 HE ARG 13 2.595 3.863 5.520 110 HH11 ARG 13 1HH1 ARG 13 -0.921 3.310 5.426 111 HH12 ARG 13 2HH1 ARG 13 -0.937 2.231 6.737 112 HH21 ARG 13 1HH2 ARG 13 2.554 2.352 7.357 113 HH22 ARG 13 2HH2 ARG 13 1.094 1.616 7.804 114 H ABA 14 H ABA 14 -0.644 2.587 0.383 115 HA ABA 14 HA ABA 14 -0.408 4.989 -1.287 116 HB3 ABA 14 1HB ABA 14 -2.029 3.866 -2.868 117 HB2 ABA 14 2HB ABA 14 -1.801 2.377 -1.967 118 HG1 ABA 14 3HG ABA 14 0.560 2.354 -2.568 119 HG3 ABA 14 1HG ABA 14 0.338 3.841 -3.485 120 HG2 ABA 14 2HG ABA 14 -0.481 2.360 -3.991 121 H VAL 15 H VAL 15 -2.661 5.930 -1.617 122 HA VAL 15 HA VAL 15 -3.945 6.082 0.883 123 HB VAL 15 HB VAL 15 -3.979 7.961 -0.691 124 HG11 VAL 15 1HG1 VAL 15 -5.503 8.025 -2.607 125 HG12 VAL 15 2HG1 VAL 15 -5.872 6.319 -2.358 126 HG13 VAL 15 3HG1 VAL 15 -4.235 6.816 -2.792 127 HG21 VAL 15 3HG2 VAL 15 -6.727 6.984 0.066 128 HG22 VAL 15 1HG2 VAL 15 -6.351 8.633 -0.441 129 HG23 VAL 15 2HG2 VAL 15 -5.642 7.984 1.035 130 H ABA 16 H ABA 16 -5.676 5.204 1.670 131 HA ABA 16 HA ABA 16 -6.315 2.600 0.915 132 HB3 ABA 16 1HB ABA 16 -7.778 4.434 2.813 133 HB2 ABA 16 2HB ABA 16 -6.424 3.399 3.234 134 HG1 ABA 16 3HG ABA 16 -8.520 2.417 3.960 135 HG3 ABA 16 1HG ABA 16 -7.777 1.425 2.708 136 HG2 ABA 16 2HG ABA 16 -9.136 2.470 2.308 137 H ARG 17 H ARG 17 -7.372 2.115 -0.871 138 HA ARG 17 HA ARG 17 -9.913 3.439 -1.390 139 HB2 ARG 17 2HB ARG 17 -8.069 2.113 -3.409 140 HB3 ARG 17 1HB ARG 17 -9.582 2.919 -3.775 141 HG2 ARG 17 2HG ARG 17 -7.030 4.209 -2.814 142 HG3 ARG 17 1HG ARG 17 -7.736 4.326 -4.422 143 HD2 ARG 17 2HD ARG 17 -8.907 5.398 -1.850 144 HD3 ARG 17 1HD ARG 17 -8.158 6.345 -3.129 145 HE ARG 17 HE ARG 17 -10.184 4.945 -4.319 146 HH11 ARG 17 1HH1 ARG 17 -9.960 7.392 -1.753 147 HH12 ARG 17 2HH1 ARG 17 -11.498 8.018 -2.062 148 HH21 ARG 17 1HH2 ARG 17 -12.301 5.813 -4.689 149 HH22 ARG 17 2HH2 ARG 17 -12.868 7.116 -3.762 150 H ARG 18 H ARG 18 -11.611 1.986 -1.610 151 HA ARG 18 HA ARG 18 -11.146 -0.537 -0.350 152 HB2 ARG 18 2HB ARG 18 -13.697 0.510 -1.613 153 HB3 ARG 18 1HB ARG 18 -13.576 -1.005 -0.747 154 HG2 ARG 18 2HG ARG 18 -14.534 0.502 0.776 155 HG3 ARG 18 1HG ARG 18 -12.845 0.390 1.271 156 HD2 ARG 18 2HD ARG 18 -13.611 2.698 1.319 157 HD3 ARG 18 1HD ARG 18 -12.386 2.489 0.064 158 HE ARG 18 HE ARG 18 -14.980 2.109 -0.975 159 HH11 ARG 18 1HH1 ARG 18 -12.786 4.714 0.020 160 HH12 ARG 18 2HH1 ARG 18 -13.527 5.874 -0.991 161 HH21 ARG 18 1HH2 ARG 18 -15.972 3.716 -2.324 162 HH22 ARG 18 2HH2 ARG 18 -15.336 5.310 -2.348 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -9.907 -2.124 -1.980 2 HA2 GLY 1 2HA GLY 1 -10.921 -3.774 -3.696 3 HA3 GLY 1 1HA GLY 1 -10.604 -2.415 -4.785 4 H VAL 2 H VAL 2 -8.364 -1.381 -3.525 5 HA VAL 2 HA VAL 2 -6.326 -3.412 -3.359 6 HB VAL 2 HB VAL 2 -4.797 -1.985 -4.884 7 HG11 VAL 2 1HG1 VAL 2 -7.098 -3.462 -6.154 8 HG12 VAL 2 2HG1 VAL 2 -5.589 -4.170 -5.588 9 HG13 VAL 2 3HG1 VAL 2 -5.582 -3.051 -6.954 10 HG21 VAL 2 3HG2 VAL 2 -6.184 0.010 -5.070 11 HG22 VAL 2 1HG2 VAL 2 -7.471 -0.935 -5.822 12 HG23 VAL 2 2HG2 VAL 2 -5.948 -0.705 -6.669 13 H ABA 3 H ABA 3 -6.449 -2.772 -1.173 14 HA ABA 3 HA ABA 3 -5.764 -0.035 -0.527 15 HB3 ABA 3 1HB ABA 3 -6.241 -0.701 1.797 16 HB2 ABA 3 2HB ABA 3 -6.477 -2.361 1.275 17 HG1 ABA 3 3HG ABA 3 -8.153 -0.007 0.430 18 HG3 ABA 3 1HG ABA 3 -8.608 -1.225 1.621 19 HG2 ABA 3 2HG ABA 3 -8.394 -1.672 -0.074 20 H ARG 4 H ARG 4 -3.665 0.411 -0.621 21 HA ARG 4 HA ARG 4 -1.892 -1.569 0.540 22 HB2 ARG 4 2HB ARG 4 -1.284 0.293 -1.743 23 HB3 ARG 4 1HB ARG 4 -0.086 -0.672 -0.905 24 HG2 ARG 4 2HG ARG 4 -1.448 -2.711 -1.567 25 HG3 ARG 4 1HG ARG 4 -2.373 -1.636 -2.614 26 HD2 ARG 4 2HD ARG 4 -0.257 -0.987 -3.727 27 HD3 ARG 4 1HD ARG 4 0.595 -2.176 -2.742 28 HE ARG 4 HE ARG 4 -1.560 -2.841 -4.622 29 HH11 ARG 4 1HH1 ARG 4 1.662 -3.655 -3.229 30 HH12 ARG 4 2HH1 ARG 4 1.885 -4.985 -4.230 31 HH21 ARG 4 1HH2 ARG 4 -1.169 -4.685 -5.997 32 HH22 ARG 4 2HH2 ARG 4 0.255 -5.598 -5.847 33 H ABA 5 H ABA 5 -1.689 -0.898 2.477 34 HA ABA 5 HA ABA 5 -0.308 1.651 2.865 35 HB3 ABA 5 1HB ABA 5 -1.160 1.604 5.223 36 HB2 ABA 5 2HB ABA 5 -2.120 0.183 4.832 37 HG1 ABA 5 3HG ABA 5 -3.501 2.160 4.851 38 HG3 ABA 5 1HG ABA 5 -3.402 1.499 3.222 39 HG2 ABA 5 2HG ABA 5 -2.461 2.927 3.651 40 H VAL 6 H VAL 6 1.580 0.649 2.385 41 HA VAL 6 HA VAL 6 2.560 -1.285 4.335 42 HB VAL 6 HB VAL 6 3.787 -2.446 2.509 43 HG11 VAL 6 1HG1 VAL 6 1.881 -3.728 1.612 44 HG12 VAL 6 2HG1 VAL 6 0.788 -2.484 2.222 45 HG13 VAL 6 3HG1 VAL 6 1.756 -3.442 3.345 46 HG21 VAL 6 3HG2 VAL 6 3.060 -2.177 0.168 47 HG22 VAL 6 1HG2 VAL 6 3.779 -0.700 0.810 48 HG23 VAL 6 2HG2 VAL 6 2.027 -0.834 0.656 49 H ABA 7 H ABA 7 4.752 -1.106 4.739 50 HA ABA 7 HA ABA 7 6.060 1.189 3.530 51 HB3 ABA 7 1HB ABA 7 5.687 1.763 5.820 52 HB2 ABA 7 2HB ABA 7 7.374 1.266 5.694 53 HG1 ABA 7 3HG ABA 7 5.152 -0.437 6.772 54 HG3 ABA 7 1HG ABA 7 6.382 0.404 7.716 55 HG2 ABA 7 2HG ABA 7 6.846 -0.903 6.626 56 H ARG 8 H ARG 8 6.514 -0.527 1.917 57 HA ARG 8 HA ARG 8 8.618 -2.333 2.743 58 HB2 ARG 8 2HB ARG 8 7.017 -2.187 0.184 59 HB3 ARG 8 1HB ARG 8 8.271 -3.363 0.518 60 HG2 ARG 8 2HG ARG 8 5.663 -3.115 2.010 61 HG3 ARG 8 1HG ARG 8 5.999 -4.291 0.746 62 HD2 ARG 8 2HD ARG 8 6.310 -5.497 2.728 63 HD3 ARG 8 1HD ARG 8 7.949 -5.028 2.279 64 HE ARG 8 HE ARG 8 6.631 -3.188 4.036 65 HH11 ARG 8 1HH1 ARG 8 8.587 -6.142 3.990 66 HH12 ARG 8 2HH1 ARG 8 9.230 -5.903 5.551 67 HH21 ARG 8 1HH2 ARG 8 7.424 -2.921 6.193 68 HH22 ARG 8 2HH2 ARG 8 8.503 -4.048 6.851 69 H ARG 9 H ARG 9 10.598 -2.081 1.861 70 HA ARG 9 HA ARG 9 11.422 0.403 0.800 71 HB2 ARG 9 2HB ARG 9 12.787 -2.288 0.827 72 HB3 ARG 9 1HB ARG 9 13.535 -0.853 0.150 73 HG2 ARG 9 2HG ARG 9 13.523 0.234 2.288 74 HG3 ARG 9 1HG ARG 9 12.598 -1.088 3.000 75 HD2 ARG 9 2HD ARG 9 15.332 -1.404 1.767 76 HD3 ARG 9 1HD ARG 9 15.050 -1.168 3.490 77 HE ARG 9 HE ARG 9 13.575 -3.225 3.221 78 HH11 ARG 9 1HH1 ARG 9 16.651 -2.771 1.477 79 HH12 ARG 9 2HH1 ARG 9 16.981 -4.428 1.398 80 HH21 ARG 9 1HH2 ARG 9 14.035 -5.486 3.051 81 HH22 ARG 9 2HH2 ARG 9 15.467 -6.010 2.287 82 H GLY 10 H GLY 10 10.540 1.095 -0.997 83 HA2 GLY 10 2HA GLY 10 11.033 0.975 -3.445 84 HA3 GLY 10 1HA GLY 10 10.462 -0.691 -3.325 85 H VAL 11 H VAL 11 8.432 -0.029 -1.359 86 HA VAL 11 HA VAL 11 6.648 1.684 -2.782 87 HB VAL 11 HB VAL 11 6.287 -0.414 -3.971 88 HG11 VAL 11 1HG1 VAL 11 5.614 -1.669 -1.327 89 HG12 VAL 11 2HG1 VAL 11 7.026 -2.016 -2.327 90 HG13 VAL 11 3HG1 VAL 11 5.407 -2.421 -2.909 91 HG21 VAL 11 3HG2 VAL 11 3.868 -0.715 -3.628 92 HG22 VAL 11 1HG2 VAL 11 4.348 0.981 -3.689 93 HG23 VAL 11 2HG2 VAL 11 3.982 0.223 -2.140 94 H ABA 12 H ABA 12 6.323 2.995 -1.171 95 HA ABA 12 HA ABA 12 5.434 1.895 1.390 96 HB3 ABA 12 1HB ABA 12 6.160 4.047 2.385 97 HB2 ABA 12 2HB ABA 12 6.768 4.558 0.818 98 HG1 ABA 12 3HG ABA 12 8.577 3.783 2.237 99 HG3 ABA 12 1HG ABA 12 8.379 2.721 0.843 100 HG2 ABA 12 2HG ABA 12 7.778 2.218 2.421 101 H ARG 13 H ARG 13 3.620 1.912 -0.460 102 HA ARG 13 HA ARG 13 2.192 4.339 -0.755 103 HB2 ARG 13 2HB ARG 13 1.281 1.486 -1.150 104 HB3 ARG 13 1HB ARG 13 0.250 2.868 -1.464 105 HG2 ARG 13 2HG ARG 13 1.847 3.660 -3.147 106 HG3 ARG 13 1HG ARG 13 2.848 2.237 -2.850 107 HD2 ARG 13 2HD ARG 13 1.471 1.907 -4.821 108 HD3 ARG 13 1HD ARG 13 0.958 0.811 -3.545 109 HE ARG 13 HE ARG 13 -0.561 3.143 -3.376 110 HH11 ARG 13 1HH1 ARG 13 -0.170 0.513 -5.718 111 HH12 ARG 13 2HH1 ARG 13 -1.791 0.504 -6.224 112 HH21 ARG 13 1HH2 ARG 13 -2.812 3.175 -4.127 113 HH22 ARG 13 2HH2 ARG 13 -3.312 2.083 -5.329 114 H ABA 14 H ABA 14 0.342 5.033 0.231 115 HA ABA 14 HA ABA 14 -0.572 3.647 2.614 116 HB3 ABA 14 1HB ABA 14 0.298 6.553 2.712 117 HB2 ABA 14 2HB ABA 14 1.265 5.224 3.339 118 HG1 ABA 14 3HG ABA 14 -1.474 6.007 4.319 119 HG3 ABA 14 1HG ABA 14 0.055 6.379 5.112 120 HG2 ABA 14 2HG ABA 14 -0.473 4.706 4.963 121 H VAL 15 H VAL 15 -2.128 3.423 0.775 122 HA VAL 15 HA VAL 15 -4.194 5.364 1.159 123 HB VAL 15 HB VAL 15 -3.074 6.369 -0.693 124 HG11 VAL 15 1HG1 VAL 15 -1.868 4.459 -1.596 125 HG12 VAL 15 2HG1 VAL 15 -2.776 5.250 -2.877 126 HG13 VAL 15 3HG1 VAL 15 -3.377 3.748 -2.169 127 HG21 VAL 15 3HG2 VAL 15 -5.487 6.536 -0.727 128 HG22 VAL 15 1HG2 VAL 15 -5.611 5.012 -1.603 129 HG23 VAL 15 2HG2 VAL 15 -4.892 6.425 -2.380 130 H ABA 16 H ABA 16 -6.065 4.496 1.212 131 HA ABA 16 HA ABA 16 -6.254 1.670 0.581 132 HB3 ABA 16 1HB ABA 16 -8.161 1.668 2.166 133 HB2 ABA 16 2HB ABA 16 -7.814 3.349 2.530 134 HG1 ABA 16 3HG ABA 16 -6.910 1.857 4.225 135 HG3 ABA 16 1HG ABA 16 -5.633 2.741 3.392 136 HG2 ABA 16 2HG ABA 16 -5.931 1.054 3.000 137 H ARG 17 H ARG 17 -6.707 2.152 -1.653 138 HA ARG 17 HA ARG 17 -9.327 3.270 -2.165 139 HB2 ARG 17 2HB ARG 17 -7.448 1.741 -4.006 140 HB3 ARG 17 1HB ARG 17 -8.922 2.547 -4.499 141 HG2 ARG 17 2HG ARG 17 -7.904 4.710 -3.890 142 HG3 ARG 17 1HG ARG 17 -6.405 3.857 -3.496 143 HD2 ARG 17 2HD ARG 17 -6.351 2.966 -5.792 144 HD3 ARG 17 1HD ARG 17 -7.796 3.891 -6.172 145 HE ARG 17 HE ARG 17 -5.768 5.600 -5.183 146 HH11 ARG 17 1HH1 ARG 17 -6.755 3.819 -8.097 147 HH12 ARG 17 2HH1 ARG 17 -5.769 4.733 -9.146 148 HH21 ARG 17 1HH2 ARG 17 -4.450 6.866 -6.675 149 HH22 ARG 17 2HH2 ARG 17 -4.507 6.515 -8.347 150 H ARG 18 H ARG 18 -11.020 1.977 -1.653 151 HA ARG 18 HA ARG 18 -10.557 -0.658 -0.847 152 HB2 ARG 18 2HB ARG 18 -13.152 0.759 -1.358 153 HB3 ARG 18 1HB ARG 18 -13.079 -0.891 -0.743 154 HG2 ARG 18 2HG ARG 18 -11.641 0.040 1.139 155 HG3 ARG 18 1HG ARG 18 -12.111 1.636 0.570 156 HD2 ARG 18 2HD ARG 18 -13.992 -0.535 1.492 157 HD3 ARG 18 1HD ARG 18 -13.518 0.871 2.431 158 HE ARG 18 HE ARG 18 -14.564 1.912 0.147 159 HH11 ARG 18 1HH1 ARG 18 -15.809 -0.295 2.630 160 HH12 ARG 18 2HH1 ARG 18 -17.426 0.190 2.405 161 HH21 ARG 18 1HH2 ARG 18 -16.755 2.542 -0.122 162 HH22 ARG 18 2HH2 ARG 18 -17.990 1.793 0.805 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -9.470 0.237 -2.850 2 HA2 GLY 1 2HA GLY 1 -9.483 -0.527 -5.658 3 HA3 GLY 1 1HA GLY 1 -8.529 0.883 -5.175 4 H VAL 2 H VAL 2 -7.155 0.461 -3.192 5 HA VAL 2 HA VAL 2 -6.337 -2.197 -2.864 6 HB VAL 2 HB VAL 2 -5.046 -1.832 -4.850 7 HG11 VAL 2 1HG1 VAL 2 -3.314 -0.110 -5.093 8 HG12 VAL 2 2HG1 VAL 2 -3.829 0.600 -3.565 9 HG13 VAL 2 3HG1 VAL 2 -4.931 0.574 -4.942 10 HG21 VAL 2 3HG2 VAL 2 -3.958 -3.150 -3.139 11 HG22 VAL 2 1HG2 VAL 2 -3.234 -1.698 -2.453 12 HG23 VAL 2 2HG2 VAL 2 -2.751 -2.244 -4.058 13 H ABA 3 H ABA 3 -7.085 -1.748 -0.894 14 HA ABA 3 HA ABA 3 -5.901 0.328 0.678 15 HB3 ABA 3 1HB ABA 3 -7.208 -0.694 2.572 16 HB2 ABA 3 2HB ABA 3 -7.732 -1.960 1.466 17 HG1 ABA 3 3HG ABA 3 -8.303 0.973 1.161 18 HG3 ABA 3 1HG ABA 3 -9.429 -0.258 1.739 19 HG2 ABA 3 2HG ABA 3 -8.836 -0.315 0.079 20 H ARG 4 H ARG 4 -3.651 -0.371 0.533 21 HA ARG 4 HA ARG 4 -2.992 -2.892 1.898 22 HB2 ARG 4 2HB ARG 4 -2.774 -2.833 -0.621 23 HB3 ARG 4 1HB ARG 4 -1.535 -1.613 -0.397 24 HG2 ARG 4 2HG ARG 4 -0.173 -3.210 0.819 25 HG3 ARG 4 1HG ARG 4 -1.420 -4.447 0.620 26 HD2 ARG 4 2HD ARG 4 -1.232 -4.115 -1.854 27 HD3 ARG 4 1HD ARG 4 0.146 -3.067 -1.550 28 HE ARG 4 HE ARG 4 0.528 -5.586 -0.316 29 HH11 ARG 4 1HH1 ARG 4 0.628 -3.992 -3.465 30 HH12 ARG 4 2HH1 ARG 4 1.667 -5.147 -4.167 31 HH21 ARG 4 1HH2 ARG 4 1.895 -7.180 -1.299 32 HH22 ARG 4 2HH2 ARG 4 2.372 -6.997 -2.936 33 H ABA 5 H ABA 5 -1.547 -2.604 3.550 34 HA ABA 5 HA ABA 5 -0.306 0.027 3.687 35 HB3 ABA 5 1HB ABA 5 -1.900 -0.062 5.457 36 HB2 ABA 5 2HB ABA 5 -0.326 -0.253 6.208 37 HG1 ABA 5 3HG ABA 5 -0.688 -2.659 6.401 38 HG3 ABA 5 1HG ABA 5 -2.276 -2.481 5.656 39 HG2 ABA 5 2HG ABA 5 -1.952 -1.738 7.219 40 H VAL 6 H VAL 6 1.410 -0.747 2.471 41 HA VAL 6 HA VAL 6 3.353 -2.333 4.025 42 HB VAL 6 HB VAL 6 3.244 -1.993 1.004 43 HG11 VAL 6 1HG1 VAL 6 5.536 -2.228 1.798 44 HG12 VAL 6 2HG1 VAL 6 5.041 -3.681 0.935 45 HG13 VAL 6 3HG1 VAL 6 5.090 -3.677 2.699 46 HG21 VAL 6 3HG2 VAL 6 2.720 -4.467 2.632 47 HG22 VAL 6 1HG2 VAL 6 2.650 -4.344 0.878 48 HG23 VAL 6 2HG2 VAL 6 1.472 -3.478 1.884 49 H ABA 7 H ABA 7 5.292 -1.381 4.374 50 HA ABA 7 HA ABA 7 5.759 1.213 3.131 51 HB3 ABA 7 1HB ABA 7 5.932 0.699 6.106 52 HB2 ABA 7 2HB ABA 7 4.644 1.594 5.312 53 HG1 ABA 7 3HG ABA 7 6.226 3.103 6.335 54 HG3 ABA 7 1HG ABA 7 6.266 3.274 4.582 55 HG2 ABA 7 2HG ABA 7 7.541 2.384 5.408 56 H ARG 8 H ARG 8 7.320 0.088 1.903 57 HA ARG 8 HA ARG 8 9.832 -0.145 3.338 58 HB2 ARG 8 2HB ARG 8 8.845 -1.977 1.133 59 HB3 ARG 8 1HB ARG 8 10.529 -1.868 1.601 60 HG2 ARG 8 2HG ARG 8 9.836 -2.570 3.906 61 HG3 ARG 8 1HG ARG 8 8.224 -2.866 3.259 62 HD2 ARG 8 2HD ARG 8 10.750 -4.149 2.218 63 HD3 ARG 8 1HD ARG 8 9.673 -4.894 3.385 64 HE ARG 8 HE ARG 8 7.945 -4.735 1.631 65 HH11 ARG 8 1HH1 ARG 8 11.373 -4.819 0.651 66 HH12 ARG 8 2HH1 ARG 8 11.092 -5.643 -0.798 67 HH21 ARG 8 1HH2 ARG 8 7.575 -5.895 -0.412 68 HH22 ARG 8 2HH2 ARG 8 8.899 -6.246 -1.427 69 H ARG 9 H ARG 9 11.579 0.699 2.176 70 HA ARG 9 HA ARG 9 10.828 2.684 0.283 71 HB2 ARG 9 2HB ARG 9 13.543 1.821 1.265 72 HB3 ARG 9 1HB ARG 9 13.289 3.158 0.148 73 HG2 ARG 9 2HG ARG 9 12.235 2.966 2.963 74 HG3 ARG 9 1HG ARG 9 13.575 3.975 2.418 75 HD2 ARG 9 2HD ARG 9 12.016 5.169 0.911 76 HD3 ARG 9 1HD ARG 9 10.696 4.188 1.535 77 HE ARG 9 HE ARG 9 12.088 5.485 3.617 78 HH11 ARG 9 1HH1 ARG 9 9.639 6.037 1.105 79 HH12 ARG 9 2HH1 ARG 9 8.955 7.377 1.873 80 HH21 ARG 9 1HH2 ARG 9 11.137 7.306 4.680 81 HH22 ARG 9 2HH2 ARG 9 9.827 8.134 3.964 82 H GLY 10 H GLY 10 10.096 2.013 -1.474 83 HA2 GLY 10 2HA GLY 10 11.101 1.384 -3.761 84 HA3 GLY 10 1HA GLY 10 11.333 -0.177 -2.961 85 H VAL 11 H VAL 11 8.998 0.139 -1.301 86 HA VAL 11 HA VAL 11 6.734 0.191 -3.062 87 HB VAL 11 HB VAL 11 5.897 -2.048 -2.071 88 HG11 VAL 11 1HG1 VAL 11 6.969 -3.389 -3.811 89 HG12 VAL 11 2HG1 VAL 11 8.176 -2.117 -4.028 90 HG13 VAL 11 3HG1 VAL 11 6.489 -1.808 -4.427 91 HG21 VAL 11 3HG2 VAL 11 7.577 -2.372 -0.380 92 HG22 VAL 11 1HG2 VAL 11 8.855 -2.408 -1.598 93 HG23 VAL 11 2HG2 VAL 11 7.653 -3.697 -1.539 94 H ABA 12 H ABA 12 6.427 2.050 -1.722 95 HA ABA 12 HA ABA 12 5.318 1.342 0.896 96 HB3 ABA 12 1HB ABA 12 6.005 4.085 -0.193 97 HB2 ABA 12 2HB ABA 12 7.051 3.176 0.891 98 HG1 ABA 12 3HG ABA 12 5.809 4.887 2.087 99 HG3 ABA 12 1HG ABA 12 5.315 3.281 2.620 100 HG2 ABA 12 2HG ABA 12 4.287 4.195 1.523 101 H ARG 13 H ARG 13 3.191 1.206 0.932 102 HA ARG 13 HA ARG 13 1.829 2.484 -1.281 103 HB2 ARG 13 2HB ARG 13 2.022 0.005 -1.520 104 HB3 ARG 13 1HB ARG 13 1.056 -0.168 -0.068 105 HG2 ARG 13 2HG ARG 13 -0.448 -0.541 -1.816 106 HG3 ARG 13 1HG ARG 13 -0.770 1.115 -1.318 107 HD2 ARG 13 2HD ARG 13 0.958 0.328 -3.687 108 HD3 ARG 13 1HD ARG 13 -0.748 0.719 -3.799 109 HE ARG 13 HE ARG 13 1.042 2.811 -2.751 110 HH11 ARG 13 1HH1 ARG 13 -0.804 1.593 -5.521 111 HH12 ARG 13 2HH1 ARG 13 -0.749 3.088 -6.331 112 HH21 ARG 13 1HH2 ARG 13 1.136 4.798 -3.895 113 HH22 ARG 13 2HH2 ARG 13 0.346 4.932 -5.390 114 H ABA 14 H ABA 14 -0.209 3.321 -0.868 115 HA ABA 14 HA ABA 14 -0.853 3.745 1.947 116 HB3 ABA 14 1HB ABA 14 -0.413 5.805 0.675 117 HB2 ABA 14 2HB ABA 14 -2.115 5.716 1.112 118 HG1 ABA 14 3HG ABA 14 -2.678 4.996 -1.144 119 HG3 ABA 14 1HG ABA 14 -0.979 5.075 -1.603 120 HG2 ABA 14 2HG ABA 14 -1.838 6.545 -1.149 121 H VAL 15 H VAL 15 -3.166 3.738 2.422 122 HA VAL 15 HA VAL 15 -4.325 1.477 1.151 123 HB VAL 15 HB VAL 15 -6.202 1.675 2.811 124 HG11 VAL 15 1HG1 VAL 15 -4.843 1.087 4.779 125 HG12 VAL 15 2HG1 VAL 15 -3.413 1.696 3.946 126 HG13 VAL 15 3HG1 VAL 15 -4.279 0.301 3.306 127 HG21 VAL 15 3HG2 VAL 15 -5.983 3.241 4.697 128 HG22 VAL 15 1HG2 VAL 15 -6.164 4.111 3.173 129 HG23 VAL 15 2HG2 VAL 15 -4.579 3.976 3.931 130 H ABA 16 H ABA 16 -4.918 1.879 -0.847 131 HA ABA 16 HA ABA 16 -6.482 4.186 -1.500 132 HB3 ABA 16 1HB ABA 16 -6.490 3.245 -3.801 133 HB2 ABA 16 2HB ABA 16 -5.626 1.838 -3.196 134 HG1 ABA 16 3HG ABA 16 -4.617 4.670 -3.146 135 HG3 ABA 16 1HG ABA 16 -4.114 3.410 -4.275 136 HG2 ABA 16 2HG ABA 16 -3.749 3.252 -2.555 137 H ARG 17 H ARG 17 -7.983 3.740 -0.201 138 HA ARG 17 HA ARG 17 -10.085 2.225 0.326 139 HB2 ARG 17 2HB ARG 17 -10.493 4.955 -0.887 140 HB3 ARG 17 1HB ARG 17 -11.677 4.085 0.062 141 HG2 ARG 17 2HG ARG 17 -8.993 4.970 1.098 142 HG3 ARG 17 1HG ARG 17 -10.489 5.872 1.301 143 HD2 ARG 17 2HD ARG 17 -9.953 3.087 2.323 144 HD3 ARG 17 1HD ARG 17 -9.948 4.564 3.283 145 HE ARG 17 HE ARG 17 -12.377 3.778 1.832 146 HH11 ARG 17 1HH1 ARG 17 -10.788 4.458 4.915 147 HH12 ARG 17 2HH1 ARG 17 -12.211 4.329 5.837 148 HH21 ARG 17 1HH2 ARG 17 -14.302 3.579 3.068 149 HH22 ARG 17 2HH2 ARG 17 -14.271 3.789 4.761 150 H ARG 18 H ARG 18 -11.060 0.709 -0.734 151 HA ARG 18 HA ARG 18 -12.029 -0.562 -2.259 152 HB2 ARG 18 2HB ARG 18 -13.179 2.073 -3.076 153 HB3 ARG 18 1HB ARG 18 -13.666 0.563 -3.836 154 HG2 ARG 18 2HG ARG 18 -14.287 -0.251 -1.542 155 HG3 ARG 18 1HG ARG 18 -14.010 1.394 -0.969 156 HD2 ARG 18 2HD ARG 18 -16.380 0.966 -1.462 157 HD3 ARG 18 1HD ARG 18 -15.711 2.237 -2.487 158 HE ARG 18 HE ARG 18 -15.412 0.319 -4.160 159 HH11 ARG 18 1HH1 ARG 18 -18.148 0.561 -1.934 160 HH12 ARG 18 2HH1 ARG 18 -19.214 -0.308 -2.928 161 HH21 ARG 18 1HH2 ARG 18 -16.843 -0.867 -5.521 162 HH22 ARG 18 2HH2 ARG 18 -18.458 -1.146 -5.045 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -10.926 1.779 -0.350 2 HA2 GLY 1 2HA GLY 1 -11.394 1.719 2.058 3 HA3 GLY 1 1HA GLY 1 -11.468 -0.028 1.904 4 H VAL 2 H VAL 2 -9.455 -1.034 1.029 5 HA VAL 2 HA VAL 2 -7.095 0.395 1.893 6 HB VAL 2 HB VAL 2 -6.204 -1.631 3.081 7 HG11 VAL 2 1HG1 VAL 2 -6.972 0.265 4.354 8 HG12 VAL 2 2HG1 VAL 2 -7.413 -1.223 5.190 9 HG13 VAL 2 3HG1 VAL 2 -8.633 -0.322 4.289 10 HG21 VAL 2 3HG2 VAL 2 -9.080 -2.527 3.045 11 HG22 VAL 2 1HG2 VAL 2 -7.789 -3.272 3.982 12 HG23 VAL 2 2HG2 VAL 2 -7.742 -3.320 2.218 13 H ABA 3 H ABA 3 -5.951 0.502 0.180 14 HA ABA 3 HA ABA 3 -5.019 -2.010 -0.878 15 HB3 ABA 3 1HB ABA 3 -5.631 0.407 -2.608 16 HB2 ABA 3 2HB ABA 3 -6.566 -1.085 -2.575 17 HG1 ABA 3 3HG ABA 3 -3.698 -0.845 -3.459 18 HG3 ABA 3 1HG ABA 3 -5.100 -0.993 -4.519 19 HG2 ABA 3 2HG ABA 3 -4.666 -2.322 -3.449 20 H ARG 4 H ARG 4 -3.079 -2.051 -0.082 21 HA ARG 4 HA ARG 4 -1.363 0.241 -0.301 22 HB2 ARG 4 2HB ARG 4 -0.753 -0.233 2.153 23 HB3 ARG 4 1HB ARG 4 -2.246 0.642 1.779 24 HG2 ARG 4 2HG ARG 4 -3.531 -1.410 2.087 25 HG3 ARG 4 1HG ARG 4 -2.051 -2.273 2.503 26 HD2 ARG 4 2HD ARG 4 -2.959 0.164 3.996 27 HD3 ARG 4 1HD ARG 4 -3.540 -1.441 4.425 28 HE ARG 4 HE ARG 4 -0.895 -1.760 4.387 29 HH11 ARG 4 1HH1 ARG 4 -2.891 0.717 5.963 30 HH12 ARG 4 2HH1 ARG 4 -1.942 0.769 7.385 31 HH21 ARG 4 1HH2 ARG 4 0.398 -1.670 6.356 32 HH22 ARG 4 2HH2 ARG 4 -0.047 -0.603 7.604 33 H ABA 5 H ABA 5 0.580 -0.323 -0.770 34 HA ABA 5 HA ABA 5 1.248 -3.032 -1.355 35 HB3 ABA 5 1HB ABA 5 3.481 -2.112 -1.939 36 HB2 ABA 5 2HB ABA 5 2.983 -0.549 -1.300 37 HG1 ABA 5 3HG ABA 5 1.233 -0.407 -2.990 38 HG3 ABA 5 1HG ABA 5 1.740 -1.960 -3.647 39 HG2 ABA 5 2HG ABA 5 2.830 -0.575 -3.716 40 H VAL 6 H VAL 6 3.199 -4.083 -0.493 41 HA VAL 6 HA VAL 6 3.041 -4.412 2.258 42 HB VAL 6 HB VAL 6 3.871 -6.149 0.783 43 HG11 VAL 6 1HG1 VAL 6 6.150 -6.123 -0.155 44 HG12 VAL 6 2HG1 VAL 6 6.335 -4.461 0.404 45 HG13 VAL 6 3HG1 VAL 6 5.135 -4.844 -0.826 46 HG21 VAL 6 3HG2 VAL 6 5.917 -5.343 2.834 47 HG22 VAL 6 1HG2 VAL 6 5.804 -6.947 2.106 48 HG23 VAL 6 2HG2 VAL 6 4.485 -6.334 3.106 49 H ABA 7 H ABA 7 4.137 -3.666 3.926 50 HA ABA 7 HA ABA 7 5.096 -1.002 3.676 51 HB3 ABA 7 1HB ABA 7 5.449 -1.107 6.122 52 HB2 ABA 7 2HB ABA 7 4.998 -2.807 6.094 53 HG1 ABA 7 3HG ABA 7 2.796 -2.175 5.192 54 HG3 ABA 7 1HG ABA 7 3.250 -0.483 5.331 55 HG2 ABA 7 2HG ABA 7 3.106 -1.480 6.783 56 H ARG 8 H ARG 8 6.856 -0.888 2.509 57 HA ARG 8 HA ARG 8 9.326 -1.860 3.716 58 HB2 ARG 8 2HB ARG 8 8.699 -1.480 0.772 59 HB3 ARG 8 1HB ARG 8 10.216 -2.047 1.440 60 HG2 ARG 8 2HG ARG 8 7.608 -3.502 1.719 61 HG3 ARG 8 1HG ARG 8 8.797 -3.837 0.459 62 HD2 ARG 8 2HD ARG 8 10.422 -4.474 2.124 63 HD3 ARG 8 1HD ARG 8 9.333 -3.994 3.425 64 HE ARG 8 HE ARG 8 7.922 -5.804 2.887 65 HH11 ARG 8 1HH1 ARG 8 11.073 -5.928 1.273 66 HH12 ARG 8 2HH1 ARG 8 10.998 -7.585 0.950 67 HH21 ARG 8 1HH2 ARG 8 7.826 -8.159 2.415 68 HH22 ARG 8 2HH2 ARG 8 9.132 -8.879 1.648 69 H ARG 9 H ARG 9 10.957 -0.253 3.692 70 HA ARG 9 HA ARG 9 10.028 2.455 3.436 71 HB2 ARG 9 2HB ARG 9 12.760 1.338 4.073 72 HB3 ARG 9 1HB ARG 9 12.410 3.054 4.007 73 HG2 ARG 9 2HG ARG 9 11.133 1.077 5.900 74 HG3 ARG 9 1HG ARG 9 12.427 2.211 6.293 75 HD2 ARG 9 2HD ARG 9 10.946 4.091 5.747 76 HD3 ARG 9 1HD ARG 9 9.659 2.949 5.363 77 HE ARG 9 HE ARG 9 10.608 2.462 7.937 78 HH11 ARG 9 1HH1 ARG 9 8.689 4.855 6.168 79 HH12 ARG 9 2HH1 ARG 9 7.771 5.353 7.503 80 HH21 ARG 9 1HH2 ARG 9 9.329 3.125 9.813 81 HH22 ARG 9 2HH2 ARG 9 8.149 4.341 9.640 82 H GLY 10 H GLY 10 9.547 2.899 1.438 83 HA2 GLY 10 2HA GLY 10 11.145 3.999 -0.358 84 HA3 GLY 10 1HA GLY 10 11.355 2.286 -0.736 85 H VAL 11 H VAL 11 9.096 1.100 -0.623 86 HA VAL 11 HA VAL 11 7.148 2.788 -1.956 87 HB VAL 11 HB VAL 11 7.961 0.014 -2.915 88 HG11 VAL 11 1HG1 VAL 11 6.224 0.254 -4.623 89 HG12 VAL 11 2HG1 VAL 11 5.776 1.819 -3.967 90 HG13 VAL 11 3HG1 VAL 11 5.492 0.356 -3.018 91 HG21 VAL 11 3HG2 VAL 11 9.445 1.753 -3.674 92 HG22 VAL 11 1HG2 VAL 11 8.076 2.729 -4.201 93 HG23 VAL 11 2HG2 VAL 11 8.431 1.220 -5.023 94 H ABA 12 H ABA 12 5.774 2.955 -0.458 95 HA ABA 12 HA ABA 12 4.366 0.570 0.410 96 HB3 ABA 12 1HB ABA 12 5.100 2.900 2.235 97 HB2 ABA 12 2HB ABA 12 5.889 1.332 2.278 98 HG1 ABA 12 3HG ABA 12 3.731 0.296 2.889 99 HG3 ABA 12 1HG ABA 12 3.009 1.897 2.929 100 HG2 ABA 12 2HG ABA 12 4.284 1.477 4.074 101 H ARG 13 H ARG 13 3.532 1.631 -1.619 102 HA ARG 13 HA ARG 13 2.165 4.093 -1.476 103 HB2 ARG 13 2HB ARG 13 1.715 1.815 -3.412 104 HB3 ARG 13 1HB ARG 13 1.081 3.435 -3.592 105 HG2 ARG 13 2HG ARG 13 3.380 4.299 -3.745 106 HG3 ARG 13 1HG ARG 13 3.978 2.638 -3.610 107 HD2 ARG 13 2HD ARG 13 2.652 2.068 -5.641 108 HD3 ARG 13 1HD ARG 13 2.232 3.768 -5.792 109 HE ARG 13 HE ARG 13 5.013 3.568 -5.675 110 HH11 ARG 13 1HH1 ARG 13 2.330 2.796 -7.844 111 HH12 ARG 13 2HH1 ARG 13 3.270 2.797 -9.267 112 HH21 ARG 13 1HH2 ARG 13 6.346 3.520 -7.685 113 HH22 ARG 13 2HH2 ARG 13 5.574 3.204 -9.171 114 H ABA 14 H ABA 14 0.267 4.560 -0.692 115 HA ABA 14 HA ABA 14 -1.512 2.364 0.050 116 HB3 ABA 14 1HB ABA 14 -1.219 5.060 1.417 117 HB2 ABA 14 2HB ABA 14 -0.479 3.574 1.993 118 HG1 ABA 14 3HG ABA 14 -2.490 4.119 3.248 119 HG3 ABA 14 1HG ABA 14 -2.683 2.600 2.370 120 HG2 ABA 14 2HG ABA 14 -3.435 4.071 1.763 121 H VAL 15 H VAL 15 -1.952 2.850 -2.301 122 HA VAL 15 HA VAL 15 -3.730 5.087 -2.672 123 HB VAL 15 HB VAL 15 -3.940 4.148 -5.063 124 HG11 VAL 15 1HG1 VAL 15 -1.719 4.972 -5.730 125 HG12 VAL 15 2HG1 VAL 15 -1.191 4.878 -4.049 126 HG13 VAL 15 3HG1 VAL 15 -2.455 6.016 -4.514 127 HG21 VAL 15 3HG2 VAL 15 -3.250 1.838 -4.605 128 HG22 VAL 15 1HG2 VAL 15 -1.653 2.403 -4.112 129 HG23 VAL 15 2HG2 VAL 15 -2.168 2.586 -5.783 130 H ABA 16 H ABA 16 -5.428 4.741 -1.516 131 HA ABA 16 HA ABA 16 -6.541 2.269 -0.870 132 HB3 ABA 16 1HB ABA 16 -8.431 3.563 0.065 133 HB2 ABA 16 2HB ABA 16 -7.744 5.017 -0.656 134 HG1 ABA 16 3HG ABA 16 -6.404 3.291 1.406 135 HG3 ABA 16 1HG ABA 16 -7.192 4.843 1.705 136 HG2 ABA 16 2HG ABA 16 -5.745 4.764 0.694 137 H ARG 17 H ARG 17 -7.406 0.931 -2.196 138 HA ARG 17 HA ARG 17 -9.391 1.947 -4.059 139 HB2 ARG 17 2HB ARG 17 -7.751 -0.595 -4.192 140 HB3 ARG 17 1HB ARG 17 -9.038 -0.184 -5.310 141 HG2 ARG 17 2HG ARG 17 -6.484 1.373 -4.923 142 HG3 ARG 17 1HG ARG 17 -6.840 0.285 -6.266 143 HD2 ARG 17 2HD ARG 17 -8.304 2.839 -5.574 144 HD3 ARG 17 1HD ARG 17 -7.229 2.583 -6.945 145 HE ARG 17 HE ARG 17 -8.922 0.735 -7.495 146 HH11 ARG 17 1HH1 ARG 17 -9.718 3.933 -6.196 147 HH12 ARG 17 2HH1 ARG 17 -11.253 4.005 -6.915 148 HH21 ARG 17 1HH2 ARG 17 -11.073 0.848 -8.493 149 HH22 ARG 17 2HH2 ARG 17 -11.995 2.255 -8.275 150 H ARG 18 H ARG 18 -11.220 1.868 -3.062 151 HA ARG 18 HA ARG 18 -13.007 1.222 -1.962 152 HB2 ARG 18 2HB ARG 18 -12.095 -1.459 -2.920 153 HB3 ARG 18 1HB ARG 18 -13.635 -1.236 -2.080 154 HG2 ARG 18 2HG ARG 18 -14.293 0.360 -3.853 155 HG3 ARG 18 1HG ARG 18 -12.782 0.005 -4.692 156 HD2 ARG 18 2HD ARG 18 -13.425 -2.300 -4.943 157 HD3 ARG 18 1HD ARG 18 -14.884 -2.031 -3.986 158 HE ARG 18 HE ARG 18 -14.661 -0.328 -6.267 159 HH11 ARG 18 1HH1 ARG 18 -15.740 -3.537 -5.199 160 HH12 ARG 18 2HH1 ARG 18 -16.898 -3.708 -6.436 161 HH21 ARG 18 1HH2 ARG 18 -16.322 -0.588 -7.965 162 HH22 ARG 18 2HH2 ARG 18 -17.227 -2.027 -7.987 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -11.285 2.103 -1.191 2 HA2 GLY 1 2HA GLY 1 -11.485 3.565 0.683 3 HA3 GLY 1 1HA GLY 1 -11.299 2.171 1.742 4 H VAL 2 H VAL 2 -9.215 0.968 1.314 5 HA VAL 2 HA VAL 2 -7.013 2.553 0.543 6 HB VAL 2 HB VAL 2 -7.299 3.361 2.863 7 HG11 VAL 2 1HG1 VAL 2 -6.913 1.888 4.787 8 HG12 VAL 2 2HG1 VAL 2 -6.952 0.499 3.700 9 HG13 VAL 2 3HG1 VAL 2 -8.386 1.499 3.900 10 HG21 VAL 2 3HG2 VAL 2 -4.867 1.614 2.525 11 HG22 VAL 2 1HG2 VAL 2 -5.026 2.943 3.675 12 HG23 VAL 2 2HG2 VAL 2 -5.054 3.270 1.942 13 H ABA 3 H ABA 3 -5.668 1.307 -0.400 14 HA ABA 3 HA ABA 3 -5.727 -1.517 0.228 15 HB3 ABA 3 1HB ABA 3 -5.180 -0.136 -2.389 16 HB2 ABA 3 2HB ABA 3 -6.618 -1.055 -1.949 17 HG1 ABA 3 3HG ABA 3 -5.324 -3.110 -1.877 18 HG3 ABA 3 1HG ABA 3 -3.863 -2.194 -2.268 19 HG2 ABA 3 2HG ABA 3 -5.165 -2.295 -3.445 20 H ARG 4 H ARG 4 -4.061 -1.278 1.785 21 HA ARG 4 HA ARG 4 -1.497 -0.417 0.717 22 HB2 ARG 4 2HB ARG 4 -0.898 0.382 2.928 23 HB3 ARG 4 1HB ARG 4 -2.356 1.169 2.345 24 HG2 ARG 4 2HG ARG 4 -3.663 -0.449 3.775 25 HG3 ARG 4 1HG ARG 4 -2.123 -0.943 4.482 26 HD2 ARG 4 2HD ARG 4 -3.324 1.822 4.501 27 HD3 ARG 4 1HD ARG 4 -3.170 0.740 5.879 28 HE ARG 4 HE ARG 4 -0.657 0.974 5.306 29 HH11 ARG 4 1HH1 ARG 4 -3.082 3.569 5.232 30 HH12 ARG 4 2HH1 ARG 4 -1.936 4.811 5.433 31 HH21 ARG 4 1HH2 ARG 4 0.901 2.751 5.603 32 HH22 ARG 4 2HH2 ARG 4 0.294 4.352 5.666 33 H ABA 5 H ABA 5 0.076 -1.764 0.774 34 HA ABA 5 HA ABA 5 -0.095 -4.152 2.466 35 HB3 ABA 5 1HB ABA 5 -0.606 -4.856 0.190 36 HB2 ABA 5 2HB ABA 5 1.002 -5.423 0.600 37 HG1 ABA 5 3HG ABA 5 0.926 -4.594 -1.677 38 HG3 ABA 5 1HG ABA 5 1.994 -3.604 -0.681 39 HG2 ABA 5 2HG ABA 5 0.383 -3.021 -1.097 40 H VAL 6 H VAL 6 1.859 -4.807 3.376 41 HA VAL 6 HA VAL 6 3.677 -2.679 3.743 42 HB VAL 6 HB VAL 6 4.999 -4.186 5.218 43 HG11 VAL 6 1HG1 VAL 6 3.267 -4.450 6.932 44 HG12 VAL 6 2HG1 VAL 6 2.031 -4.145 5.715 45 HG13 VAL 6 3HG1 VAL 6 3.192 -2.883 6.132 46 HG21 VAL 6 3HG2 VAL 6 4.587 -6.324 4.071 47 HG22 VAL 6 1HG2 VAL 6 2.891 -6.254 4.548 48 HG23 VAL 6 2HG2 VAL 6 4.145 -6.420 5.777 49 H ABA 7 H ABA 7 5.193 -2.046 2.603 50 HA ABA 7 HA ABA 7 6.866 -3.848 1.049 51 HB3 ABA 7 1HB ABA 7 6.792 -1.978 -0.697 52 HB2 ABA 7 2HB ABA 7 5.439 -1.361 0.255 53 HG1 ABA 7 3HG ABA 7 4.122 -3.298 -0.175 54 HG3 ABA 7 1HG ABA 7 5.431 -4.039 -1.093 55 HG2 ABA 7 2HG ABA 7 4.646 -2.579 -1.700 56 H ARG 8 H ARG 8 8.469 -1.722 0.046 57 HA ARG 8 HA ARG 8 10.197 -1.385 2.183 58 HB2 ARG 8 2HB ARG 8 10.017 0.050 -0.439 59 HB3 ARG 8 1HB ARG 8 11.274 0.369 0.735 60 HG2 ARG 8 2HG ARG 8 11.846 -2.103 0.556 61 HG3 ARG 8 1HG ARG 8 10.798 -2.120 -0.866 62 HD2 ARG 8 2HD ARG 8 13.097 -1.710 -1.554 63 HD3 ARG 8 1HD ARG 8 12.121 -0.270 -1.835 64 HE ARG 8 HE ARG 8 13.968 -0.628 0.427 65 HH11 ARG 8 1HH1 ARG 8 12.400 1.486 -1.932 66 HH12 ARG 8 2HH1 ARG 8 13.111 2.924 -1.372 67 HH21 ARG 8 1HH2 ARG 8 15.030 1.323 1.177 68 HH22 ARG 8 2HH2 ARG 8 14.699 2.823 0.436 69 H ARG 9 H ARG 9 10.855 0.374 3.130 70 HA ARG 9 HA ARG 9 8.829 2.229 4.022 71 HB2 ARG 9 2HB ARG 9 11.723 1.863 4.822 72 HB3 ARG 9 1HB ARG 9 10.653 3.049 5.555 73 HG2 ARG 9 2HG ARG 9 9.182 1.275 6.323 74 HG3 ARG 9 1HG ARG 9 10.221 0.075 5.559 75 HD2 ARG 9 2HD ARG 9 12.014 0.600 7.042 76 HD3 ARG 9 1HD ARG 9 11.131 1.972 7.717 77 HE ARG 9 HE ARG 9 9.506 -0.173 8.095 78 HH11 ARG 9 1HH1 ARG 9 12.863 0.459 9.016 79 HH12 ARG 9 2HH1 ARG 9 12.760 -0.374 10.494 80 HH21 ARG 9 1HH2 ARG 9 9.356 -1.313 10.144 81 HH22 ARG 9 2HH2 ARG 9 10.729 -1.388 11.152 82 H GLY 10 H GLY 10 8.480 3.289 2.132 83 HA2 GLY 10 2HA GLY 10 9.277 5.708 1.593 84 HA3 GLY 10 1HA GLY 10 10.644 4.817 0.922 85 H VAL 11 H VAL 11 9.243 2.552 0.094 86 HA VAL 11 HA VAL 11 7.522 3.612 -2.028 87 HB VAL 11 HB VAL 11 9.398 1.269 -2.359 88 HG11 VAL 11 1HG1 VAL 11 8.952 1.595 -4.766 89 HG12 VAL 11 2HG1 VAL 11 7.808 2.871 -4.349 90 HG13 VAL 11 3HG1 VAL 11 7.503 1.214 -3.835 91 HG21 VAL 11 3HG2 VAL 11 10.763 3.257 -2.053 92 HG22 VAL 11 1HG2 VAL 11 9.855 4.087 -3.315 93 HG23 VAL 11 2HG2 VAL 11 10.850 2.689 -3.722 94 H ABA 12 H ABA 12 5.758 3.013 -0.799 95 HA ABA 12 HA ABA 12 5.352 0.156 -0.766 96 HB3 ABA 12 1HB ABA 12 5.759 0.721 1.566 97 HB2 ABA 12 2HB ABA 12 4.063 0.321 1.366 98 HG1 ABA 12 3HG ABA 12 4.321 2.202 2.846 99 HG3 ABA 12 1HG ABA 12 3.492 2.692 1.368 100 HG2 ABA 12 2HG ABA 12 5.194 3.092 1.600 101 H ARG 13 H ARG 13 3.444 -0.536 -1.424 102 HA ARG 13 HA ARG 13 1.950 1.394 -2.857 103 HB2 ARG 13 2HB ARG 13 1.738 -1.593 -2.710 104 HB3 ARG 13 1HB ARG 13 0.512 -0.620 -3.512 105 HG2 ARG 13 2HG ARG 13 2.218 0.307 -5.002 106 HG3 ARG 13 1HG ARG 13 3.444 -0.681 -4.203 107 HD2 ARG 13 2HD ARG 13 2.643 -1.652 -6.338 108 HD3 ARG 13 1HD ARG 13 2.362 -2.697 -4.944 109 HE ARG 13 HE ARG 13 0.036 -1.527 -5.046 110 HH11 ARG 13 1HH1 ARG 13 1.892 -2.723 -7.856 111 HH12 ARG 13 2HH1 ARG 13 0.504 -3.096 -8.746 112 HH21 ARG 13 1HH2 ARG 13 -1.853 -2.101 -6.298 113 HH22 ARG 13 2HH2 ARG 13 -1.644 -2.712 -7.865 114 H ABA 14 H ABA 14 0.605 2.571 -2.039 115 HA ABA 14 HA ABA 14 -1.393 1.582 -0.172 116 HB3 ABA 14 1HB ABA 14 0.079 4.237 0.009 117 HB2 ABA 14 2HB ABA 14 0.377 2.868 1.072 118 HG1 ABA 14 3HG ABA 14 -1.890 3.050 1.966 119 HG3 ABA 14 1HG ABA 14 -2.202 4.406 0.883 120 HG2 ABA 14 2HG ABA 14 -0.994 4.552 2.159 121 H VAL 15 H VAL 15 -2.431 1.385 -2.232 122 HA VAL 15 HA VAL 15 -3.129 3.896 -3.526 123 HB VAL 15 HB VAL 15 -4.125 2.526 -5.350 124 HG11 VAL 15 1HG1 VAL 15 -1.825 3.226 -5.569 125 HG12 VAL 15 2HG1 VAL 15 -2.036 1.621 -6.272 126 HG13 VAL 15 3HG1 VAL 15 -1.283 1.798 -4.689 127 HG21 VAL 15 3HG2 VAL 15 -3.654 0.093 -5.432 128 HG22 VAL 15 1HG2 VAL 15 -4.784 0.552 -4.161 129 HG23 VAL 15 2HG2 VAL 15 -3.107 0.173 -3.756 130 H ABA 16 H ABA 16 -5.510 4.020 -4.218 131 HA ABA 16 HA ABA 16 -6.931 3.485 -1.760 132 HB3 ABA 16 1HB ABA 16 -6.937 5.819 -2.203 133 HB2 ABA 16 2HB ABA 16 -8.550 5.235 -2.578 134 HG1 ABA 16 3HG ABA 16 -8.055 5.280 -4.954 135 HG3 ABA 16 1HG ABA 16 -6.425 5.854 -4.603 136 HG2 ABA 16 2HG ABA 16 -7.817 6.867 -4.215 137 H ARG 17 H ARG 17 -7.174 1.219 -2.407 138 HA ARG 17 HA ARG 17 -9.477 1.058 -4.143 139 HB2 ARG 17 2HB ARG 17 -7.351 -1.066 -3.735 140 HB3 ARG 17 1HB ARG 17 -8.860 -1.303 -4.601 141 HG2 ARG 17 2HG ARG 17 -8.198 0.405 -6.215 142 HG3 ARG 17 1HG ARG 17 -6.669 0.609 -5.362 143 HD2 ARG 17 2HD ARG 17 -6.125 -1.743 -5.790 144 HD3 ARG 17 1HD ARG 17 -7.649 -1.935 -6.654 145 HE ARG 17 HE ARG 17 -5.911 0.153 -7.615 146 HH11 ARG 17 1HH1 ARG 17 -6.983 -3.217 -8.021 147 HH12 ARG 17 2HH1 ARG 17 -6.367 -3.361 -9.597 148 HH21 ARG 17 1HH2 ARG 17 -5.043 -0.079 -9.784 149 HH22 ARG 17 2HH2 ARG 17 -5.226 -1.532 -10.633 150 H ARG 18 H ARG 18 -11.233 0.538 -3.218 151 HA ARG 18 HA ARG 18 -12.774 -0.041 -1.726 152 HB2 ARG 18 2HB ARG 18 -10.692 -2.017 -0.885 153 HB3 ARG 18 1HB ARG 18 -12.379 -2.118 -0.354 154 HG2 ARG 18 2HG ARG 18 -11.232 -2.509 -3.126 155 HG3 ARG 18 1HG ARG 18 -12.011 -3.724 -2.115 156 HD2 ARG 18 2HD ARG 18 -13.327 -1.309 -3.368 157 HD3 ARG 18 1HD ARG 18 -13.508 -2.979 -3.891 158 HE ARG 18 HE ARG 18 -14.227 -2.812 -1.211 159 HH11 ARG 18 1HH1 ARG 18 -15.427 -1.710 -4.361 160 HH12 ARG 18 2HH1 ARG 18 -17.058 -1.676 -3.906 161 HH21 ARG 18 1HH2 ARG 18 -16.478 -2.700 -0.550 162 HH22 ARG 18 2HH2 ARG 18 -17.673 -2.246 -1.687
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