NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627901 | 5mf8 | 34066 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 1H1 ACE 1 -0.514 0.000 -0.890 2 H2 ACE 1 2H1 ACE 1 1.028 0.000 0.000 3 H3 ACE 1 3H1 ACE 1 -0.514 0.000 0.890 4 H AIB 2 HN AIB 2 1.449 1.771 1.477 5 HB11 AIB 2 1HB1 AIB 2 2.999 4.356 1.723 6 HB12 AIB 2 2HB1 AIB 2 1.666 5.175 2.642 7 HB13 AIB 2 3HB1 AIB 2 1.983 3.404 2.886 8 HB21 AIB 2 1HB2 AIB 2 -0.926 4.694 0.399 9 HB22 AIB 2 2HB2 AIB 2 -0.946 3.804 1.980 10 HB23 AIB 2 3HB2 AIB 2 -0.229 5.469 1.883 11 H ASN 3 HN ASN 3 1.961 2.725 -1.100 12 HA ASN 3 HA ASN 3 3.050 5.118 -2.271 13 HB2 ASN 3 2HB ASN 3 2.982 2.219 -3.047 14 HB3 ASN 3 3HB ASN 3 3.470 3.436 -4.223 15 HD21 ASN 3 1HD2 ASN 3 4.436 1.500 -1.641 16 HD22 ASN 3 2HD2 ASN 3 6.011 2.168 -1.404 17 H ILE 4 HN ILE 4 0.077 3.439 -2.407 18 HA ILE 4 HA ILE 4 -0.677 4.512 -5.001 19 HB ILE 4 HB ILE 4 -2.300 2.918 -3.013 20 HG12 ILE 4 2HG1 ILE 4 -0.932 2.071 -5.577 21 HG13 ILE 4 3HG1 ILE 4 -0.393 1.671 -3.949 22 HG21 ILE 4 1HG2 ILE 4 -3.082 4.411 -5.314 23 HG22 ILE 4 2HG2 ILE 4 -3.306 2.693 -5.641 24 HG23 ILE 4 3HG2 ILE 4 -4.078 3.431 -4.237 25 HD11 ILE 4 1HD1 ILE 4 -1.526 -0.222 -4.316 26 HD12 ILE 4 2HD1 ILE 4 -2.932 0.752 -3.882 27 HD13 ILE 4 3HD1 ILE 4 -2.525 0.496 -5.579 28 H ILE 5 HN ILE 5 -1.313 5.072 -1.593 29 HA ILE 5 HA ILE 5 -3.444 6.924 -1.990 30 HB ILE 5 HB ILE 5 -1.637 6.561 0.403 31 HG12 ILE 5 2HG1 ILE 5 -2.909 4.537 -0.179 32 HG13 ILE 5 3HG1 ILE 5 -3.483 5.242 1.328 33 HG21 ILE 5 1HG2 ILE 5 -2.563 8.471 1.096 34 HG22 ILE 5 2HG2 ILE 5 -3.774 8.449 -0.185 35 HG23 ILE 5 3HG2 ILE 5 -4.044 7.536 1.299 36 HD11 ILE 5 1HD1 ILE 5 -4.918 4.686 -1.088 37 HD12 ILE 5 2HD1 ILE 5 -5.527 5.176 0.494 38 HD13 ILE 5 3HD1 ILE 5 -5.039 6.398 -0.681 39 H AIB 6 HN AIB 6 0.072 7.097 -1.694 40 HB11 AIB 6 1HB1 AIB 6 2.580 9.044 -1.436 41 HB12 AIB 6 2HB1 AIB 6 1.982 7.688 -2.482 42 HB13 AIB 6 3HB1 AIB 6 2.370 9.300 -3.219 43 HB21 AIB 6 1HB2 AIB 6 -0.497 10.708 -0.851 44 HB22 AIB 6 2HB2 AIB 6 0.583 9.568 0.058 45 HB23 AIB 6 3HB2 AIB 6 1.304 10.906 -0.934 46 HA PRO 7 HA PRO 7 0.067 10.975 -5.889 47 HB2 PRO 7 2HB PRO 7 -0.900 9.097 -7.596 48 HB3 PRO 7 3HB PRO 7 0.823 9.285 -7.249 49 HG2 PRO 7 2HG PRO 7 -1.133 7.321 -6.119 50 HG3 PRO 7 3HG PRO 7 0.532 7.053 -6.665 51 HD2 PRO 7 2HD PRO 7 -0.120 7.317 -4.050 52 HD3 PRO 7 3HD PRO 7 1.438 7.862 -4.705 53 H LEU 8 HN LEU 8 -2.333 8.577 -4.838 54 HA LEU 8 HA LEU 8 -4.558 9.787 -6.082 55 HB2 LEU 8 2HB LEU 8 -4.323 7.934 -3.724 56 HB3 LEU 8 3HB LEU 8 -5.871 8.464 -4.378 57 HG LEU 8 HG LEU 8 -3.796 6.913 -5.924 58 HD11 LEU 8 1HD1 LEU 8 -6.371 5.941 -4.695 59 HD12 LEU 8 2HD1 LEU 8 -4.758 5.616 -4.060 60 HD13 LEU 8 3HD1 LEU 8 -5.225 4.990 -5.641 61 HD21 LEU 8 1HD2 LEU 8 -6.658 7.628 -6.553 62 HD22 LEU 8 2HD2 LEU 8 -5.619 6.589 -7.528 63 HD23 LEU 8 3HD2 LEU 8 -5.222 8.296 -7.328 64 H LEU 9 HN LEU 9 -2.715 10.717 -3.396 65 HA LEU 9 HA LEU 9 -4.735 12.004 -1.861 66 HB2 LEU 9 2HB LEU 9 -2.588 11.363 -0.906 67 HB3 LEU 9 3HB LEU 9 -1.761 12.487 -1.983 68 HG LEU 9 HG LEU 9 -3.216 14.287 -0.796 69 HD11 LEU 9 1HD1 LEU 9 -3.602 13.665 1.601 70 HD12 LEU 9 2HD1 LEU 9 -3.346 11.983 1.137 71 HD13 LEU 9 3HD1 LEU 9 -4.688 12.893 0.445 72 HD21 LEU 9 1HD2 LEU 9 -1.492 14.333 1.090 73 HD22 LEU 9 2HD2 LEU 9 -0.888 14.399 -0.566 74 HD23 LEU 9 3HD2 LEU 9 -0.815 12.887 0.341 75 H AIB 10 HN AIB 10 -2.499 12.976 -4.444 76 HB11 AIB 10 1HB1 AIB 10 -2.016 13.787 -6.342 77 HB12 AIB 10 2HB1 AIB 10 -2.971 15.091 -7.167 78 HB13 AIB 10 3HB1 AIB 10 -1.493 15.518 -6.204 79 HB21 AIB 10 1HB2 AIB 10 -2.449 17.019 -4.857 80 HB22 AIB 10 2HB2 AIB 10 -3.481 16.493 -3.460 81 HB23 AIB 10 3HB2 AIB 10 -1.791 15.853 -3.633 82 HA PRO 11 HA PRO 11 -6.826 15.552 -7.121 83 HB2 PRO 11 2HB PRO 11 -7.997 13.133 -7.502 84 HB3 PRO 11 3HB PRO 11 -6.766 13.786 -8.589 85 HG2 PRO 11 2HG PRO 11 -6.473 11.788 -6.379 86 HG3 PRO 11 3HG PRO 11 -5.761 11.772 -8.003 87 HD2 PRO 11 2HD PRO 11 -4.371 12.543 -5.811 88 HD3 PRO 11 3HD PRO 11 -4.082 13.239 -7.418 89 HN1 DCL 12 HN DCL 12 -6.645 12.961 -4.677 90 HA DCL 12 HA DCL 12 -9.350 13.838 -3.518 91 HC1 DCL 12 2HB1 DCL 12 -6.916 13.429 -1.673 92 HC2 DCL 12 3HB1 DCL 12 -7.270 15.052 -2.403 93 HB1 DCL 12 2HB DCL 12 -8.000 11.309 -3.827 94 HB2 DCL 12 3HB DCL 12 -8.067 11.660 -2.048 95 HG DCL 12 HG DCL 12 -10.056 10.395 -2.739 96 HD11 DCL 12 1HD1 DCL 12 -11.419 10.977 -4.573 97 HD12 DCL 12 2HD1 DCL 12 -11.041 12.746 -4.422 98 HD13 DCL 12 3HD1 DCL 12 -9.828 11.618 -5.166 99 HD21 DCL 12 1HD2 DCL 12 -10.924 13.314 -2.329 100 HD22 DCL 12 2HD2 DCL 12 -11.779 11.799 -1.810 101 HD23 DCL 12 3HD2 DCL 12 -10.224 12.286 -1.009 102 HXT DCL 12 4H1 DCL 12 -8.882 15.245 -0.808 Start of MODEL 2 1 H1 ACE 1 1H1 ACE 1 0.687 0.033 -0.159 2 H2 ACE 1 2H1 ACE 1 -0.303 0.119 1.318 3 H3 ACE 1 3H1 ACE 1 -1.088 0.079 -0.279 4 H AIB 2 HN AIB 2 1.271 1.861 1.696 5 HB11 AIB 2 1HB1 AIB 2 2.750 3.650 2.202 6 HB12 AIB 2 2HB1 AIB 2 2.212 5.382 2.145 7 HB13 AIB 2 3HB1 AIB 2 1.382 4.209 3.254 8 HB21 AIB 2 1HB2 AIB 2 -0.299 5.625 1.953 9 HB22 AIB 2 2HB2 AIB 2 -1.029 4.796 0.514 10 HB23 AIB 2 3HB2 AIB 2 -1.055 3.987 2.139 11 H ASN 3 HN ASN 3 1.800 2.699 -0.918 12 HA ASN 3 HA ASN 3 2.950 5.014 -2.185 13 HB2 ASN 3 2HB ASN 3 3.181 2.155 -2.424 14 HB3 ASN 3 3HB ASN 3 2.897 2.862 -4.012 15 HD21 ASN 3 1HD2 ASN 3 4.570 3.686 -5.055 16 HD22 ASN 3 2HD2 ASN 3 6.113 4.041 -4.363 17 H ILE 4 HN ILE 4 -0.069 3.415 -2.244 18 HA ILE 4 HA ILE 4 -0.801 4.427 -4.873 19 HB ILE 4 HB ILE 4 -2.449 2.899 -2.855 20 HG12 ILE 4 2HG1 ILE 4 -1.071 1.986 -5.390 21 HG13 ILE 4 3HG1 ILE 4 -0.570 1.593 -3.749 22 HG21 ILE 4 1HG2 ILE 4 -4.223 3.367 -4.100 23 HG22 ILE 4 2HG2 ILE 4 -3.227 4.372 -5.151 24 HG23 ILE 4 3HG2 ILE 4 -3.430 2.657 -5.506 25 HD11 ILE 4 1HD1 ILE 4 -3.261 0.830 -3.957 26 HD12 ILE 4 2HD1 ILE 4 -2.460 0.271 -5.426 27 HD13 ILE 4 3HD1 ILE 4 -1.840 -0.208 -3.846 28 H ILE 5 HN ILE 5 -1.509 5.020 -1.474 29 HA ILE 5 HA ILE 5 -3.569 6.932 -1.947 30 HB ILE 5 HB ILE 5 -1.861 6.611 0.523 31 HG12 ILE 5 2HG1 ILE 5 -2.956 4.503 -0.057 32 HG13 ILE 5 3HG1 ILE 5 -3.704 5.209 1.372 33 HG21 ILE 5 1HG2 ILE 5 -4.118 7.498 1.513 34 HG22 ILE 5 2HG2 ILE 5 -2.929 8.616 0.848 35 HG23 ILE 5 3HG2 ILE 5 -4.333 8.149 -0.111 36 HD11 ILE 5 1HD1 ILE 5 -5.205 6.216 -0.707 37 HD12 ILE 5 2HD1 ILE 5 -4.859 4.557 -1.198 38 HD13 ILE 5 3HD1 ILE 5 -5.641 4.873 0.350 39 H AIB 6 HN AIB 6 -0.063 7.005 -1.523 40 HB11 AIB 6 1HB1 AIB 6 2.416 9.285 -2.823 41 HB12 AIB 6 2HB1 AIB 6 2.431 8.684 -1.111 42 HB13 AIB 6 3HB1 AIB 6 1.879 7.592 -2.452 43 HB21 AIB 6 1HB2 AIB 6 -0.657 10.345 -0.481 44 HB22 AIB 6 2HB2 AIB 6 0.814 9.537 0.208 45 HB23 AIB 6 3HB2 AIB 6 0.995 10.979 -0.880 46 HA PRO 7 HA PRO 7 0.189 10.889 -5.706 47 HB2 PRO 7 2HB PRO 7 -0.771 9.044 -7.451 48 HB3 PRO 7 3HB PRO 7 0.943 9.181 -7.045 49 HG2 PRO 7 2HG PRO 7 -1.107 7.272 -5.989 50 HG3 PRO 7 3HG PRO 7 0.569 6.957 -6.477 51 HD2 PRO 7 2HD PRO 7 -0.166 7.234 -3.886 52 HD3 PRO 7 3HD PRO 7 1.428 7.736 -4.485 53 H LEU 8 HN LEU 8 -2.314 8.559 -4.745 54 HA LEU 8 HA LEU 8 -4.459 9.833 -6.063 55 HB2 LEU 8 2HB LEU 8 -4.365 7.980 -3.695 56 HB3 LEU 8 3HB LEU 8 -5.870 8.545 -4.417 57 HG LEU 8 HG LEU 8 -3.771 6.953 -5.886 58 HD11 LEU 8 1HD1 LEU 8 -4.800 5.681 -4.033 59 HD12 LEU 8 2HD1 LEU 8 -5.211 5.041 -5.624 60 HD13 LEU 8 3HD1 LEU 8 -6.388 6.003 -4.731 61 HD21 LEU 8 1HD2 LEU 8 -5.727 6.582 -7.441 62 HD22 LEU 8 2HD2 LEU 8 -5.043 8.208 -7.434 63 HD23 LEU 8 3HD2 LEU 8 -6.549 7.880 -6.575 64 H LEU 9 HN LEU 9 -2.685 10.708 -3.312 65 HA LEU 9 HA LEU 9 -4.719 12.051 -1.847 66 HB2 LEU 9 2HB LEU 9 -2.627 11.349 -0.817 67 HB3 LEU 9 3HB LEU 9 -1.730 12.448 -1.863 68 HG LEU 9 HG LEU 9 -3.788 13.757 -0.239 69 HD11 LEU 9 1HD1 LEU 9 -3.123 12.061 1.364 70 HD12 LEU 9 2HD1 LEU 9 -2.494 13.638 1.839 71 HD13 LEU 9 3HD1 LEU 9 -1.424 12.448 1.098 72 HD21 LEU 9 1HD2 LEU 9 -0.994 14.205 -1.145 73 HD22 LEU 9 2HD2 LEU 9 -1.550 15.063 0.293 74 HD23 LEU 9 3HD2 LEU 9 -2.400 15.266 -1.240 75 H AIB 10 HN AIB 10 -2.367 12.960 -4.348 76 HB11 AIB 10 1HB1 AIB 10 -2.708 15.009 -7.088 77 HB12 AIB 10 2HB1 AIB 10 -1.272 15.533 -6.111 78 HB13 AIB 10 3HB1 AIB 10 -1.730 13.778 -6.182 79 HB21 AIB 10 1HB2 AIB 10 -3.212 16.392 -3.283 80 HB22 AIB 10 2HB2 AIB 10 -1.512 15.870 -3.640 81 HB23 AIB 10 3HB2 AIB 10 -2.346 17.057 -4.731 82 HA PRO 11 HA PRO 11 -6.522 15.665 -7.168 83 HB2 PRO 11 2HB PRO 11 -7.750 13.281 -7.593 84 HB3 PRO 11 3HB PRO 11 -6.463 13.899 -8.637 85 HG2 PRO 11 2HG PRO 11 -6.305 11.891 -6.422 86 HG3 PRO 11 3HG PRO 11 -5.539 11.856 -8.020 87 HD2 PRO 11 2HD PRO 11 -4.203 12.583 -5.780 88 HD3 PRO 11 3HD PRO 11 -3.838 13.272 -7.375 89 HN1 DCL 12 HN DCL 12 -6.546 13.020 -4.767 90 HA DCL 12 HA DCL 12 -9.140 14.196 -3.572 91 HC1 DCL 12 2HB1 DCL 12 -6.656 13.161 -2.025 92 HC2 DCL 12 3HB1 DCL 12 -7.167 14.896 -2.175 93 HB1 DCL 12 2HB DCL 12 -8.343 11.496 -4.255 94 HB2 DCL 12 3HB DCL 12 -8.439 11.602 -2.446 95 HG DCL 12 HG DCL 12 -10.690 12.943 -3.878 96 HD11 DCL 12 1HD1 DCL 12 -11.861 12.194 -1.978 97 HD12 DCL 12 2HD1 DCL 12 -10.960 10.619 -1.919 98 HD13 DCL 12 3HD1 DCL 12 -10.171 12.140 -1.317 99 HD21 DCL 12 1HD2 DCL 12 -10.031 10.015 -4.356 100 HD22 DCL 12 2HD2 DCL 12 -11.762 10.493 -4.091 101 HD23 DCL 12 3HD2 DCL 12 -10.812 11.233 -5.450 102 HXT DCL 12 4H1 DCL 12 -8.588 14.465 -0.451 Start of MODEL 3 1 H1 ACE 1 1H1 ACE 1 -0.729 -0.169 0.853 2 H2 ACE 1 2H1 ACE 1 -1.271 -0.114 -0.841 3 H3 ACE 1 3H1 ACE 1 0.468 -0.117 -0.463 4 H AIB 2 HN AIB 2 0.750 1.588 1.542 5 HB11 AIB 2 1HB1 AIB 2 2.255 4.078 2.070 6 HB12 AIB 2 2HB1 AIB 2 0.866 4.997 2.790 7 HB13 AIB 2 3HB1 AIB 2 1.033 3.216 3.097 8 HB21 AIB 2 1HB2 AIB 2 -1.692 3.612 1.857 9 HB22 AIB 2 2HB2 AIB 2 -0.985 5.283 1.847 10 HB23 AIB 2 3HB2 AIB 2 -1.513 4.511 0.292 11 H ASN 3 HN ASN 3 1.562 2.630 -0.916 12 HA ASN 3 HA ASN 3 2.754 5.071 -1.874 13 HB2 ASN 3 2HB ASN 3 3.102 2.227 -2.312 14 HB3 ASN 3 3HB ASN 3 3.073 3.102 -3.841 15 HD21 ASN 3 1HD2 ASN 3 4.904 3.967 -4.499 16 HD22 ASN 3 2HD2 ASN 3 6.288 4.284 -3.514 17 H ILE 4 HN ILE 4 -0.147 3.345 -2.433 18 HA ILE 4 HA ILE 4 -0.597 4.490 -5.064 19 HB ILE 4 HB ILE 4 -2.531 2.906 -3.374 20 HG12 ILE 4 2HG1 ILE 4 -1.739 1.132 -5.213 21 HG13 ILE 4 3HG1 ILE 4 -0.257 2.075 -5.105 22 HG21 ILE 4 1HG2 ILE 4 -3.980 3.335 -4.997 23 HG22 ILE 4 2HG2 ILE 4 -2.761 4.258 -5.874 24 HG23 ILE 4 3HG2 ILE 4 -2.914 2.522 -6.143 25 HD11 ILE 4 1HD1 ILE 4 -0.555 -0.002 -3.607 26 HD12 ILE 4 2HD1 ILE 4 0.114 1.473 -2.908 27 HD13 ILE 4 3HD1 ILE 4 -1.576 1.053 -2.630 28 H ILE 5 HN ILE 5 -1.657 4.943 -1.747 29 HA ILE 5 HA ILE 5 -3.753 6.776 -2.350 30 HB ILE 5 HB ILE 5 -2.237 6.372 0.231 31 HG12 ILE 5 2HG1 ILE 5 -4.884 5.259 -0.725 32 HG13 ILE 5 3HG1 ILE 5 -3.391 4.348 -0.525 33 HG21 ILE 5 1HG2 ILE 5 -4.158 7.470 1.292 34 HG22 ILE 5 2HG2 ILE 5 -3.323 8.543 0.172 35 HG23 ILE 5 3HG2 ILE 5 -4.845 7.789 -0.300 36 HD11 ILE 5 1HD1 ILE 5 -4.650 3.843 1.365 37 HD12 ILE 5 2HD1 ILE 5 -3.503 5.062 1.923 38 HD13 ILE 5 3HD1 ILE 5 -5.173 5.513 1.577 39 H AIB 6 HN AIB 6 -0.300 6.992 -1.640 40 HB11 AIB 6 1HB1 AIB 6 2.111 8.903 -1.021 41 HB12 AIB 6 2HB1 AIB 6 1.677 7.644 -2.253 42 HB13 AIB 6 3HB1 AIB 6 2.136 9.317 -2.787 43 HB21 AIB 6 1HB2 AIB 6 0.353 11.059 -0.902 44 HB22 AIB 6 2HB2 AIB 6 -1.131 10.114 -0.460 45 HB23 AIB 6 3HB2 AIB 6 0.492 9.605 0.174 46 HA PRO 7 HA PRO 7 0.111 10.990 -5.701 47 HB2 PRO 7 2HB PRO 7 -0.615 9.149 -7.560 48 HB3 PRO 7 3HB PRO 7 1.052 9.353 -7.010 49 HG2 PRO 7 2HG PRO 7 -0.985 7.326 -6.170 50 HG3 PRO 7 3HG PRO 7 0.738 7.100 -6.525 51 HD2 PRO 7 2HD PRO 7 -0.218 7.277 -3.998 52 HD3 PRO 7 3HD PRO 7 1.394 7.865 -4.452 53 H LEU 8 HN LEU 8 -2.349 8.525 -5.002 54 HA LEU 8 HA LEU 8 -4.437 9.734 -6.464 55 HB2 LEU 8 2HB LEU 8 -4.468 7.839 -4.125 56 HB3 LEU 8 3HB LEU 8 -5.918 8.336 -4.995 57 HG LEU 8 HG LEU 8 -3.602 6.916 -6.298 58 HD11 LEU 8 1HD1 LEU 8 -4.992 4.898 -6.184 59 HD12 LEU 8 2HD1 LEU 8 -6.159 5.768 -5.189 60 HD13 LEU 8 3HD1 LEU 8 -4.529 5.475 -4.583 61 HD21 LEU 8 1HD2 LEU 8 -5.432 6.384 -7.964 62 HD22 LEU 8 2HD2 LEU 8 -4.880 8.059 -7.920 63 HD23 LEU 8 3HD2 LEU 8 -6.402 7.611 -7.148 64 H LEU 9 HN LEU 9 -2.936 10.618 -3.558 65 HA LEU 9 HA LEU 9 -5.143 11.829 -2.236 66 HB2 LEU 9 2HB LEU 9 -3.110 11.196 -1.054 67 HB3 LEU 9 3HB LEU 9 -2.185 12.362 -1.998 68 HG LEU 9 HG LEU 9 -4.323 13.730 -0.691 69 HD11 LEU 9 1HD1 LEU 9 -2.541 12.327 1.272 70 HD12 LEU 9 2HD1 LEU 9 -4.117 11.678 0.820 71 HD13 LEU 9 3HD1 LEU 9 -4.002 13.267 1.576 72 HD21 LEU 9 1HD2 LEU 9 -2.639 15.176 -0.048 73 HD22 LEU 9 2HD2 LEU 9 -1.955 14.432 -1.493 74 HD23 LEU 9 3HD2 LEU 9 -1.445 13.886 0.105 75 H AIB 10 HN AIB 10 -2.643 12.908 -4.515 76 HB11 AIB 10 1HB1 AIB 10 -1.862 13.819 -6.241 77 HB12 AIB 10 2HB1 AIB 10 -2.865 14.962 -7.231 78 HB13 AIB 10 3HB1 AIB 10 -1.557 15.605 -6.149 79 HB21 AIB 10 1HB2 AIB 10 -3.515 16.035 -3.251 80 HB22 AIB 10 2HB2 AIB 10 -1.850 16.022 -3.971 81 HB23 AIB 10 3HB2 AIB 10 -3.148 17.058 -4.704 82 HA PRO 11 HA PRO 11 -6.679 15.490 -7.608 83 HB2 PRO 11 2HB PRO 11 -7.752 13.064 -8.185 84 HB3 PRO 11 3HB PRO 11 -6.416 13.767 -9.105 85 HG2 PRO 11 2HG PRO 11 -6.343 11.713 -6.929 86 HG3 PRO 11 3HG PRO 11 -5.448 11.754 -8.459 87 HD2 PRO 11 2HD PRO 11 -4.335 12.484 -6.101 88 HD3 PRO 11 3HD PRO 11 -3.876 13.230 -7.645 89 HN1 DCL 12 HN DCL 12 -6.364 13.638 -4.746 90 HA DCL 12 HA DCL 12 -9.331 13.442 -4.152 91 HC1 DCL 12 2HB1 DCL 12 -9.312 15.676 -3.415 92 HC2 DCL 12 3HB1 DCL 12 -8.650 14.901 -1.913 93 HB1 DCL 12 2HB DCL 12 -7.613 11.740 -3.358 94 HB2 DCL 12 3HB DCL 12 -6.919 13.021 -2.277 95 HG DCL 12 HG DCL 12 -9.740 13.023 -1.807 96 HD11 DCL 12 1HD1 DCL 12 -7.878 13.490 -0.179 97 HD12 DCL 12 2HD1 DCL 12 -8.993 12.208 0.461 98 HD13 DCL 12 3HD1 DCL 12 -7.386 11.744 -0.245 99 HD21 DCL 12 1HD2 DCL 12 -10.164 10.867 -2.686 100 HD22 DCL 12 2HD2 DCL 12 -8.567 10.215 -2.121 101 HD23 DCL 12 3HD2 DCL 12 -9.885 10.560 -0.920 102 HXT DCL 12 4H1 DCL 12 -6.754 16.093 -2.320 Start of MODEL 4 1 H1 ACE 1 1H1 ACE 1 -0.149 -0.106 0.973 2 H2 ACE 1 2H1 ACE 1 -1.297 -0.050 -0.385 3 H3 ACE 1 3H1 ACE 1 0.454 -0.091 -0.701 4 H AIB 2 HN AIB 2 1.128 1.621 1.507 5 HB11 AIB 2 1HB1 AIB 2 1.151 4.565 3.055 6 HB12 AIB 2 2HB1 AIB 2 2.124 3.098 2.612 7 HB13 AIB 2 3HB1 AIB 2 2.528 4.711 1.883 8 HB21 AIB 2 1HB2 AIB 2 -1.214 3.723 2.009 9 HB22 AIB 2 2HB2 AIB 2 -0.462 5.371 1.910 10 HB23 AIB 2 3HB2 AIB 2 -1.151 4.596 0.421 11 H ASN 3 HN ASN 3 1.745 2.606 -1.031 12 HA ASN 3 HA ASN 3 2.917 4.996 -2.130 13 HB2 ASN 3 2HB ASN 3 3.449 2.286 -2.350 14 HB3 ASN 3 3HB ASN 3 2.783 2.699 -3.927 15 HD21 ASN 3 1HD2 ASN 3 4.451 2.857 -5.250 16 HD22 ASN 3 2HD2 ASN 3 5.877 3.792 -4.967 17 H ILE 4 HN ILE 4 -0.073 3.354 -2.398 18 HA ILE 4 HA ILE 4 -0.726 4.479 -4.995 19 HB ILE 4 HB ILE 4 -2.545 2.976 -3.113 20 HG12 ILE 4 2HG1 ILE 4 -1.975 1.156 -4.989 21 HG13 ILE 4 3HG1 ILE 4 -0.462 2.054 -5.029 22 HG21 ILE 4 1HG2 ILE 4 -3.040 4.365 -5.501 23 HG22 ILE 4 2HG2 ILE 4 -3.094 2.650 -5.907 24 HG23 ILE 4 3HG2 ILE 4 -4.133 3.288 -4.632 25 HD11 ILE 4 1HD1 ILE 4 -0.684 0.006 -3.478 26 HD12 ILE 4 2HD1 ILE 4 0.088 1.469 -2.865 27 HD13 ILE 4 3HD1 ILE 4 -1.581 1.104 -2.430 28 H ILE 5 HN ILE 5 -1.467 5.006 -1.603 29 HA ILE 5 HA ILE 5 -3.554 6.896 -2.043 30 HB ILE 5 HB ILE 5 -1.823 6.478 0.397 31 HG12 ILE 5 2HG1 ILE 5 -4.577 5.434 -0.300 32 HG13 ILE 5 3HG1 ILE 5 -3.099 4.480 -0.221 33 HG21 ILE 5 1HG2 ILE 5 -2.845 8.681 0.402 34 HG22 ILE 5 2HG2 ILE 5 -4.424 7.968 0.078 35 HG23 ILE 5 3HG2 ILE 5 -3.609 7.647 1.609 36 HD11 ILE 5 1HD1 ILE 5 -3.168 5.617 2.253 37 HD12 ILE 5 2HD1 ILE 5 -4.880 5.367 1.909 38 HD13 ILE 5 3HD1 ILE 5 -3.760 4.006 1.851 39 H AIB 6 HN AIB 6 -0.046 7.013 -1.650 40 HB11 AIB 6 1HB1 AIB 6 2.478 8.895 -1.296 41 HB12 AIB 6 2HB1 AIB 6 1.890 7.588 -2.409 42 HB13 AIB 6 3HB1 AIB 6 2.331 9.218 -3.076 43 HB21 AIB 6 1HB2 AIB 6 0.990 10.979 -0.962 44 HB22 AIB 6 2HB2 AIB 6 -0.672 10.359 -0.586 45 HB23 AIB 6 3HB2 AIB 6 0.786 9.527 0.106 46 HA PRO 7 HA PRO 7 0.114 10.945 -5.794 47 HB2 PRO 7 2HB PRO 7 -0.832 9.104 -7.551 48 HB3 PRO 7 3HB PRO 7 0.884 9.263 -7.157 49 HG2 PRO 7 2HG PRO 7 -1.128 7.311 -6.105 50 HG3 PRO 7 3HG PRO 7 0.548 7.028 -6.611 51 HD2 PRO 7 2HD PRO 7 -0.169 7.266 -4.011 52 HD3 PRO 7 3HD PRO 7 1.412 7.798 -4.618 53 H LEU 8 HN LEU 8 -2.344 8.566 -4.838 54 HA LEU 8 HA LEU 8 -4.520 9.821 -6.124 55 HB2 LEU 8 2HB LEU 8 -4.395 7.957 -3.763 56 HB3 LEU 8 3HB LEU 8 -5.903 8.488 -4.506 57 HG LEU 8 HG LEU 8 -3.756 6.981 -5.991 58 HD11 LEU 8 1HD1 LEU 8 -6.229 5.930 -4.624 59 HD12 LEU 8 2HD1 LEU 8 -4.557 5.582 -4.187 60 HD13 LEU 8 3HD1 LEU 8 -5.203 5.010 -5.725 61 HD21 LEU 8 1HD2 LEU 8 -5.758 6.481 -7.468 62 HD22 LEU 8 2HD2 LEU 8 -5.135 8.130 -7.515 63 HD23 LEU 8 3HD2 LEU 8 -6.595 7.764 -6.595 64 H LEU 9 HN LEU 9 -2.736 10.695 -3.379 65 HA LEU 9 HA LEU 9 -4.778 11.990 -1.882 66 HB2 LEU 9 2HB LEU 9 -2.665 11.310 -0.878 67 HB3 LEU 9 3HB LEU 9 -1.796 12.434 -1.920 68 HG LEU 9 HG LEU 9 -2.906 14.315 -0.787 69 HD11 LEU 9 1HD1 LEU 9 -4.722 14.018 0.445 70 HD12 LEU 9 2HD1 LEU 9 -3.823 12.985 1.555 71 HD13 LEU 9 3HD1 LEU 9 -4.630 12.281 0.154 72 HD21 LEU 9 1HD2 LEU 9 -0.715 13.314 -0.027 73 HD22 LEU 9 2HD2 LEU 9 -1.628 12.496 1.241 74 HD23 LEU 9 3HD2 LEU 9 -1.591 14.259 1.177 75 H AIB 10 HN AIB 10 -2.463 12.963 -4.394 76 HB11 AIB 10 1HB1 AIB 10 -1.467 15.621 -6.174 77 HB12 AIB 10 2HB1 AIB 10 -1.795 13.836 -6.185 78 HB13 AIB 10 3HB1 AIB 10 -2.875 14.964 -7.110 79 HB21 AIB 10 1HB2 AIB 10 -1.675 15.858 -3.619 80 HB22 AIB 10 2HB2 AIB 10 -2.460 17.048 -4.741 81 HB23 AIB 10 3HB2 AIB 10 -3.378 16.402 -3.315 82 HA PRO 11 HA PRO 11 -6.685 15.628 -7.149 83 HB2 PRO 11 2HB PRO 11 -7.877 13.229 -7.590 84 HB3 PRO 11 3HB PRO 11 -6.610 13.879 -8.637 85 HG2 PRO 11 2HG PRO 11 -6.401 11.852 -6.445 86 HG3 PRO 11 3HG PRO 11 -5.647 11.845 -8.050 87 HD2 PRO 11 2HD PRO 11 -4.304 12.571 -5.814 88 HD3 PRO 11 3HD PRO 11 -3.964 13.282 -7.405 89 HN1 DCL 12 HN DCL 12 -6.597 13.010 -4.729 90 HA DCL 12 HA DCL 12 -9.314 13.927 -3.623 91 HC1 DCL 12 2HB1 DCL 12 -8.441 14.181 -1.361 92 HC2 DCL 12 3HB1 DCL 12 -6.833 13.478 -1.824 93 HB1 DCL 12 2HB DCL 12 -7.994 11.366 -3.935 94 HB2 DCL 12 3HB DCL 12 -8.169 11.687 -2.158 95 HG DCL 12 HG DCL 12 -10.135 10.478 -3.007 96 HD11 DCL 12 1HD1 DCL 12 -10.638 12.951 -4.797 97 HD12 DCL 12 2HD1 DCL 12 -9.856 11.429 -5.402 98 HD13 DCL 12 3HD1 DCL 12 -11.562 11.389 -4.780 99 HD21 DCL 12 1HD2 DCL 12 -10.291 12.486 -1.299 100 HD22 DCL 12 2HD2 DCL 12 -11.118 13.349 -2.664 101 HD23 DCL 12 3HD2 DCL 12 -11.810 11.801 -2.016 102 HXT DCL 12 4H1 DCL 12 -6.243 15.600 -2.397 Start of MODEL 5 1 H1 ACE 1 1H1 ACE 1 0.602 -0.041 -0.590 2 H2 ACE 1 2H1 ACE 1 0.125 0.014 1.123 3 H3 ACE 1 3H1 ACE 1 -1.121 0.020 -0.148 4 H AIB 2 HN AIB 2 1.414 1.757 1.519 5 HB11 AIB 2 1HB1 AIB 2 3.030 4.388 1.645 6 HB12 AIB 2 2HB1 AIB 2 1.719 5.131 2.655 7 HB13 AIB 2 3HB1 AIB 2 2.104 3.365 2.822 8 HB21 AIB 2 1HB2 AIB 2 -0.910 4.715 0.443 9 HB22 AIB 2 2HB2 AIB 2 -0.898 3.879 2.053 10 HB23 AIB 2 3HB2 AIB 2 -0.141 5.519 1.876 11 H ASN 3 HN ASN 3 1.875 2.636 -1.094 12 HA ASN 3 HA ASN 3 2.997 4.968 -2.354 13 HB2 ASN 3 2HB ASN 3 3.146 2.089 -2.697 14 HB3 ASN 3 3HB ASN 3 2.947 2.910 -4.242 15 HD21 ASN 3 1HD2 ASN 3 5.001 2.466 -4.949 16 HD22 ASN 3 2HD2 ASN 3 6.409 3.201 -4.269 17 H ILE 4 HN ILE 4 -0.027 3.376 -2.360 18 HA ILE 4 HA ILE 4 -0.825 4.431 -4.952 19 HB ILE 4 HB ILE 4 -2.422 2.875 -2.914 20 HG12 ILE 4 2HG1 ILE 4 -1.119 2.000 -5.502 21 HG13 ILE 4 3HG1 ILE 4 -0.571 1.581 -3.882 22 HG21 ILE 4 1HG2 ILE 4 -4.228 3.372 -4.101 23 HG22 ILE 4 2HG2 ILE 4 -3.257 4.386 -5.167 24 HG23 ILE 4 3HG2 ILE 4 -3.479 2.676 -5.538 25 HD11 ILE 4 1HD1 ILE 4 -2.886 0.539 -3.579 26 HD12 ILE 4 2HD1 ILE 4 -3.016 0.655 -5.334 27 HD13 ILE 4 3HD1 ILE 4 -1.724 -0.299 -4.607 28 H ILE 5 HN ILE 5 -1.435 4.977 -1.527 29 HA ILE 5 HA ILE 5 -3.504 6.900 -1.915 30 HB ILE 5 HB ILE 5 -1.732 6.534 0.502 31 HG12 ILE 5 2HG1 ILE 5 -4.403 5.281 -0.171 32 HG13 ILE 5 3HG1 ILE 5 -2.858 4.442 -0.095 33 HG21 ILE 5 1HG2 ILE 5 -4.428 7.396 1.020 34 HG22 ILE 5 2HG2 ILE 5 -2.902 8.147 1.483 35 HG23 ILE 5 3HG2 ILE 5 -3.620 8.505 -0.088 36 HD11 ILE 5 1HD1 ILE 5 -4.604 5.412 2.092 37 HD12 ILE 5 2HD1 ILE 5 -3.691 3.910 1.947 38 HD13 ILE 5 3HD1 ILE 5 -2.861 5.410 2.359 39 H AIB 6 HN AIB 6 0.012 6.957 -1.586 40 HB11 AIB 6 1HB1 AIB 6 1.948 7.494 -2.321 41 HB12 AIB 6 2HB1 AIB 6 2.380 9.086 -3.077 42 HB13 AIB 6 3HB1 AIB 6 2.586 8.843 -1.290 43 HB21 AIB 6 1HB2 AIB 6 0.974 9.471 0.151 44 HB22 AIB 6 2HB2 AIB 6 1.071 10.931 -0.921 45 HB23 AIB 6 3HB2 AIB 6 -0.546 10.252 -0.456 46 HA PRO 7 HA PRO 7 0.161 10.903 -5.715 47 HB2 PRO 7 2HB PRO 7 -0.854 9.087 -7.460 48 HB3 PRO 7 3HB PRO 7 0.872 9.212 -7.099 49 HG2 PRO 7 2HG PRO 7 -1.155 7.295 -6.015 50 HG3 PRO 7 3HG PRO 7 0.505 6.981 -6.554 51 HD2 PRO 7 2HD PRO 7 -0.157 7.222 -3.940 52 HD3 PRO 7 3HD PRO 7 1.422 7.727 -4.576 53 H LEU 8 HN LEU 8 -2.324 8.563 -4.730 54 HA LEU 8 HA LEU 8 -4.498 9.869 -5.964 55 HB2 LEU 8 2HB LEU 8 -4.352 7.975 -3.630 56 HB3 LEU 8 3HB LEU 8 -5.871 8.555 -4.310 57 HG LEU 8 HG LEU 8 -3.809 6.982 -5.851 58 HD11 LEU 8 1HD1 LEU 8 -5.264 5.073 -5.593 59 HD12 LEU 8 2HD1 LEU 8 -6.396 6.026 -4.634 60 HD13 LEU 8 3HD1 LEU 8 -4.787 5.673 -4.005 61 HD21 LEU 8 1HD2 LEU 8 -6.536 8.056 -6.466 62 HD22 LEU 8 2HD2 LEU 8 -5.924 6.622 -7.291 63 HD23 LEU 8 3HD2 LEU 8 -5.056 8.152 -7.421 64 H LEU 9 HN LEU 9 -2.647 10.690 -3.249 65 HA LEU 9 HA LEU 9 -4.635 12.012 -1.703 66 HB2 LEU 9 2HB LEU 9 -2.505 11.280 -0.759 67 HB3 LEU 9 3HB LEU 9 -1.648 12.420 -1.795 68 HG LEU 9 HG LEU 9 -2.020 13.016 0.687 69 HD11 LEU 9 1HD1 LEU 9 -1.528 15.114 0.092 70 HD12 LEU 9 2HD1 LEU 9 -2.994 15.289 -0.872 71 HD13 LEU 9 3HD1 LEU 9 -1.576 14.498 -1.560 72 HD21 LEU 9 1HD2 LEU 9 -4.581 12.480 0.252 73 HD22 LEU 9 2HD2 LEU 9 -4.600 14.184 -0.202 74 HD23 LEU 9 3HD2 LEU 9 -4.065 13.706 1.410 75 H AIB 10 HN AIB 10 -2.352 12.960 -4.253 76 HB11 AIB 10 1HB1 AIB 10 -2.770 15.025 -6.947 77 HB12 AIB 10 2HB1 AIB 10 -1.317 15.585 -6.015 78 HB13 AIB 10 3HB1 AIB 10 -1.735 13.820 -6.071 79 HB21 AIB 10 1HB2 AIB 10 -1.428 15.896 -3.599 80 HB22 AIB 10 2HB2 AIB 10 -2.424 17.089 -4.535 81 HB23 AIB 10 3HB2 AIB 10 -3.107 16.305 -3.047 82 HA PRO 11 HA PRO 11 -6.576 15.721 -6.909 83 HB2 PRO 11 2HB PRO 11 -7.820 13.348 -7.343 84 HB3 PRO 11 3HB PRO 11 -6.561 13.982 -8.410 85 HG2 PRO 11 2HG PRO 11 -6.347 11.935 -6.236 86 HG3 PRO 11 3HG PRO 11 -5.625 11.927 -7.856 87 HD2 PRO 11 2HD PRO 11 -4.226 12.612 -5.640 88 HD3 PRO 11 3HD PRO 11 -3.904 13.328 -7.232 89 HN1 DCL 12 HN DCL 12 -6.530 13.044 -4.547 90 HA DCL 12 HA DCL 12 -8.979 14.325 -3.159 91 HC1 DCL 12 2HB1 DCL 12 -6.595 12.766 -1.925 92 HC2 DCL 12 3HB1 DCL 12 -6.899 14.549 -1.784 93 HB1 DCL 12 2HB DCL 12 -8.425 11.534 -4.050 94 HB2 DCL 12 3HB DCL 12 -8.877 11.648 -2.297 95 HG DCL 12 HG DCL 12 -10.758 13.317 -3.353 96 HD11 DCL 12 1HD1 DCL 12 -11.789 11.648 -2.132 97 HD12 DCL 12 2HD1 DCL 12 -11.944 10.775 -3.715 98 HD13 DCL 12 3HD1 DCL 12 -10.543 10.421 -2.616 99 HD21 DCL 12 1HD2 DCL 12 -10.749 11.124 -5.459 100 HD22 DCL 12 2HD2 DCL 12 -11.499 12.777 -5.493 101 HD23 DCL 12 3HD2 DCL 12 -9.705 12.587 -5.706 102 HXT DCL 12 4H1 DCL 12 -8.283 14.020 -0.056 Start of MODEL 6 1 H1 ACE 1 1H1 ACE 1 0.612 -0.053 -0.723 2 H2 ACE 1 2H1 ACE 1 0.017 -0.020 0.954 3 H3 ACE 1 3H1 ACE 1 -1.138 -0.003 -0.400 4 H AIB 2 HN AIB 2 1.347 1.720 1.383 5 HB11 AIB 2 1HB1 AIB 2 2.249 5.242 1.955 6 HB12 AIB 2 2HB1 AIB 2 1.485 3.976 3.006 7 HB13 AIB 2 3HB1 AIB 2 2.851 3.532 1.896 8 HB21 AIB 2 1HB2 AIB 2 -0.967 4.687 0.307 9 HB22 AIB 2 2HB2 AIB 2 -0.981 3.827 1.904 10 HB23 AIB 2 3HB2 AIB 2 -0.226 5.471 1.765 11 H ASN 3 HN ASN 3 1.848 2.634 -1.211 12 HA ASN 3 HA ASN 3 2.984 4.986 -2.421 13 HB2 ASN 3 2HB ASN 3 2.965 2.075 -2.978 14 HB3 ASN 3 3HB ASN 3 3.152 3.130 -4.376 15 HD21 ASN 3 1HD2 ASN 3 4.467 2.383 -1.198 16 HD22 ASN 3 2HD2 ASN 3 6.080 2.896 -1.545 17 H ILE 4 HN ILE 4 -0.035 3.388 -2.497 18 HA ILE 4 HA ILE 4 -0.794 4.472 -5.089 19 HB ILE 4 HB ILE 4 -2.423 2.894 -3.093 20 HG12 ILE 4 2HG1 ILE 4 -1.074 2.045 -5.666 21 HG13 ILE 4 3HG1 ILE 4 -0.556 1.609 -4.041 22 HG21 ILE 4 1HG2 ILE 4 -3.431 2.724 -5.740 23 HG22 ILE 4 2HG2 ILE 4 -4.209 3.394 -4.307 24 HG23 ILE 4 3HG2 ILE 4 -3.224 4.429 -5.340 25 HD11 ILE 4 1HD1 ILE 4 -1.695 -0.266 -4.764 26 HD12 ILE 4 2HD1 ILE 4 -2.909 0.590 -3.812 27 HD13 ILE 4 3HD1 ILE 4 -2.945 0.680 -5.573 28 H ILE 5 HN ILE 5 -1.447 4.987 -1.668 29 HA ILE 5 HA ILE 5 -3.516 6.909 -2.065 30 HB ILE 5 HB ILE 5 -1.772 6.514 0.368 31 HG12 ILE 5 2HG1 ILE 5 -4.448 5.295 -0.343 32 HG13 ILE 5 3HG1 ILE 5 -2.912 4.439 -0.262 33 HG21 ILE 5 1HG2 ILE 5 -4.450 7.390 0.899 34 HG22 ILE 5 2HG2 ILE 5 -2.920 8.152 1.330 35 HG23 ILE 5 3HG2 ILE 5 -3.666 8.494 -0.231 36 HD11 ILE 5 1HD1 ILE 5 -4.788 5.036 1.826 37 HD12 ILE 5 2HD1 ILE 5 -3.385 3.966 1.844 38 HD13 ILE 5 3HD1 ILE 5 -3.194 5.679 2.217 39 H AIB 6 HN AIB 6 -0.004 6.970 -1.694 40 HB11 AIB 6 1HB1 AIB 6 2.413 9.194 -3.072 41 HB12 AIB 6 2HB1 AIB 6 2.535 8.761 -1.314 42 HB13 AIB 6 3HB1 AIB 6 1.930 7.538 -2.511 43 HB21 AIB 6 1HB2 AIB 6 1.046 9.526 0.039 44 HB22 AIB 6 2HB2 AIB 6 0.925 10.992 -1.023 45 HB23 AIB 6 3HB2 AIB 6 -0.581 10.147 -0.465 46 HA PRO 7 HA PRO 7 0.185 10.951 -5.787 47 HB2 PRO 7 2HB PRO 7 -0.808 9.149 -7.558 48 HB3 PRO 7 3HB PRO 7 0.914 9.273 -7.177 49 HG2 PRO 7 2HG PRO 7 -1.123 7.344 -6.133 50 HG3 PRO 7 3HG PRO 7 0.543 7.037 -6.656 51 HD2 PRO 7 2HD PRO 7 -0.148 7.255 -4.047 52 HD3 PRO 7 3HD PRO 7 1.437 7.767 -4.660 53 H LEU 8 HN LEU 8 -2.308 8.600 -4.851 54 HA LEU 8 HA LEU 8 -4.470 9.913 -6.098 55 HB2 LEU 8 2HB LEU 8 -4.348 8.000 -3.779 56 HB3 LEU 8 3HB LEU 8 -5.860 8.583 -4.472 57 HG LEU 8 HG LEU 8 -3.777 7.027 -6.002 58 HD11 LEU 8 1HD1 LEU 8 -5.225 5.111 -5.773 59 HD12 LEU 8 2HD1 LEU 8 -6.375 6.052 -4.825 60 HD13 LEU 8 3HD1 LEU 8 -4.774 5.703 -4.174 61 HD21 LEU 8 1HD2 LEU 8 -4.955 8.037 -7.661 62 HD22 LEU 8 2HD2 LEU 8 -6.390 8.262 -6.661 63 HD23 LEU 8 3HD2 LEU 8 -6.040 6.680 -7.358 64 H LEU 9 HN LEU 9 -2.651 10.713 -3.355 65 HA LEU 9 HA LEU 9 -4.658 12.019 -1.821 66 HB2 LEU 9 2HB LEU 9 -2.539 11.282 -0.857 67 HB3 LEU 9 3HB LEU 9 -1.671 12.430 -1.875 68 HG LEU 9 HG LEU 9 -2.073 13.006 0.607 69 HD11 LEU 9 1HD1 LEU 9 -1.380 14.496 -1.426 70 HD12 LEU 9 2HD1 LEU 9 -1.832 15.234 0.110 71 HD13 LEU 9 3HD1 LEU 9 -2.993 15.178 -1.216 72 HD21 LEU 9 1HD2 LEU 9 -4.602 12.453 0.218 73 HD22 LEU 9 2HD2 LEU 9 -4.666 14.119 -0.358 74 HD23 LEU 9 3HD2 LEU 9 -4.129 13.774 1.286 75 H AIB 10 HN AIB 10 -2.347 12.991 -4.337 76 HB11 AIB 10 1HB1 AIB 10 -1.843 13.830 -6.229 77 HB12 AIB 10 2HB1 AIB 10 -2.689 15.236 -7.003 78 HB13 AIB 10 3HB1 AIB 10 -1.210 15.513 -5.988 79 HB21 AIB 10 1HB2 AIB 10 -1.397 15.974 -3.737 80 HB22 AIB 10 2HB2 AIB 10 -2.523 17.143 -4.547 81 HB23 AIB 10 3HB2 AIB 10 -3.055 16.253 -3.058 82 HA PRO 11 HA PRO 11 -6.544 15.771 -7.016 83 HB2 PRO 11 2HB PRO 11 -7.780 13.400 -7.485 84 HB3 PRO 11 3HB PRO 11 -6.511 14.045 -8.532 85 HG2 PRO 11 2HG PRO 11 -6.319 11.980 -6.373 86 HG3 PRO 11 3HG PRO 11 -5.578 11.986 -7.985 87 HD2 PRO 11 2HD PRO 11 -4.206 12.653 -5.748 88 HD3 PRO 11 3HD PRO 11 -3.866 13.383 -7.330 89 HN1 DCL 12 HN DCL 12 -6.500 13.096 -4.656 90 HA DCL 12 HA DCL 12 -9.069 14.250 -3.384 91 HC1 DCL 12 2HB1 DCL 12 -6.708 12.986 -1.830 92 HC2 DCL 12 3HB1 DCL 12 -6.884 14.773 -2.089 93 HB1 DCL 12 2HB DCL 12 -8.640 11.673 -4.326 94 HB2 DCL 12 3HB DCL 12 -8.150 11.503 -2.587 95 HG DCL 12 HG DCL 12 -10.506 13.013 -2.438 96 HD11 DCL 12 1HD1 DCL 12 -10.422 9.928 -2.439 97 HD12 DCL 12 2HD1 DCL 12 -9.586 10.906 -1.159 98 HD13 DCL 12 3HD1 DCL 12 -11.386 11.029 -1.366 99 HD21 DCL 12 1HD2 DCL 12 -11.077 12.666 -4.790 100 HD22 DCL 12 2HD2 DCL 12 -10.791 10.880 -4.640 101 HD23 DCL 12 3HD2 DCL 12 -12.177 11.656 -3.761 102 HXT DCL 12 4H1 DCL 12 -8.381 14.716 -0.375 Start of MODEL 7 1 H1 ACE 1 1H1 ACE 1 -1.710 2.988 1.385 2 H2 ACE 1 2H1 ACE 1 -1.149 2.448 2.986 3 H3 ACE 1 3H1 ACE 1 -2.338 3.767 2.857 4 H AIB 2 HN AIB 2 -0.042 3.728 0.379 5 HB11 AIB 2 1HB1 AIB 2 3.523 5.292 1.471 6 HB12 AIB 2 2HB1 AIB 2 2.375 5.569 2.848 7 HB13 AIB 2 3HB1 AIB 2 2.550 3.911 2.130 8 HB21 AIB 2 1HB2 AIB 2 0.028 6.928 0.529 9 HB22 AIB 2 2HB2 AIB 2 0.729 6.916 2.202 10 HB23 AIB 2 3HB2 AIB 2 1.742 7.458 0.796 11 H ASN 3 HN ASN 3 1.465 3.234 -0.659 12 HA ASN 3 HA ASN 3 3.319 4.357 -2.552 13 HB2 ASN 3 2HB ASN 3 2.796 1.817 -1.803 14 HB3 ASN 3 3HB ASN 3 1.811 1.905 -3.261 15 HD21 ASN 3 1HD2 ASN 3 3.083 0.492 -4.409 16 HD22 ASN 3 2HD2 ASN 3 4.669 0.896 -4.962 17 H ILE 4 HN ILE 4 -0.006 3.096 -2.872 18 HA ILE 4 HA ILE 4 -0.340 4.642 -5.322 19 HB ILE 4 HB ILE 4 -2.209 2.668 -4.004 20 HG12 ILE 4 2HG1 ILE 4 -0.460 2.355 -6.454 21 HG13 ILE 4 3HG1 ILE 4 -0.087 1.693 -4.866 22 HG21 ILE 4 1HG2 ILE 4 -2.561 4.545 -6.188 23 HG22 ILE 4 2HG2 ILE 4 -2.878 2.881 -6.676 24 HG23 ILE 4 3HG2 ILE 4 -3.758 3.585 -5.319 25 HD11 ILE 4 1HD1 ILE 4 -1.014 -0.129 -5.858 26 HD12 ILE 4 2HD1 ILE 4 -2.460 0.591 -5.149 27 HD13 ILE 4 3HD1 ILE 4 -2.104 0.829 -6.860 28 H ILE 5 HN ILE 5 -1.253 4.704 -1.991 29 HA ILE 5 HA ILE 5 -3.545 6.367 -2.233 30 HB ILE 5 HB ILE 5 -1.698 6.001 0.129 31 HG12 ILE 5 2HG1 ILE 5 -2.702 3.894 -0.599 32 HG13 ILE 5 3HG1 ILE 5 -3.409 4.416 0.926 33 HG21 ILE 5 1HG2 ILE 5 -4.333 7.378 -0.206 34 HG22 ILE 5 2HG2 ILE 5 -3.879 6.676 1.346 35 HG23 ILE 5 3HG2 ILE 5 -2.879 7.935 0.621 36 HD11 ILE 5 1HD1 ILE 5 -5.376 4.053 -0.033 37 HD12 ILE 5 2HD1 ILE 5 -5.077 5.519 -0.968 38 HD13 ILE 5 3HD1 ILE 5 -4.661 3.944 -1.641 39 H AIB 6 HN AIB 6 -0.068 6.904 -1.739 40 HB11 AIB 6 1HB1 AIB 6 2.139 9.591 -2.711 41 HB12 AIB 6 2HB1 AIB 6 2.082 8.904 -1.033 42 HB13 AIB 6 3HB1 AIB 6 1.833 7.819 -2.467 43 HB21 AIB 6 1HB2 AIB 6 -1.262 10.072 -0.661 44 HB22 AIB 6 2HB2 AIB 6 0.279 9.533 0.128 45 HB23 AIB 6 3HB2 AIB 6 0.272 10.998 -0.943 46 HA PRO 7 HA PRO 7 -0.053 10.857 -5.811 47 HB2 PRO 7 2HB PRO 7 -0.583 8.919 -7.637 48 HB3 PRO 7 3HB PRO 7 1.053 9.297 -7.085 49 HG2 PRO 7 2HG PRO 7 -0.779 7.095 -6.214 50 HG3 PRO 7 3HG PRO 7 0.960 7.034 -6.558 51 HD2 PRO 7 2HD PRO 7 -0.023 7.162 -4.038 52 HD3 PRO 7 3HD PRO 7 1.525 7.899 -4.497 53 H LEU 8 HN LEU 8 -2.293 8.724 -4.350 54 HA LEU 8 HA LEU 8 -4.501 9.478 -6.084 55 HB2 LEU 8 2HB LEU 8 -4.119 7.574 -3.826 56 HB3 LEU 8 3HB LEU 8 -5.750 8.131 -4.195 57 HG LEU 8 HG LEU 8 -3.910 6.684 -6.100 58 HD11 LEU 8 1HD1 LEU 8 -6.372 5.746 -4.635 59 HD12 LEU 8 2HD1 LEU 8 -4.714 5.235 -4.319 60 HD13 LEU 8 3HD1 LEU 8 -5.485 4.830 -5.853 61 HD21 LEU 8 1HD2 LEU 8 -6.606 7.936 -6.388 62 HD22 LEU 8 2HD2 LEU 8 -6.212 6.487 -7.314 63 HD23 LEU 8 3HD2 LEU 8 -5.236 7.945 -7.499 64 H LEU 9 HN LEU 9 -3.111 10.385 -3.048 65 HA LEU 9 HA LEU 9 -5.397 11.669 -1.948 66 HB2 LEU 9 2HB LEU 9 -3.733 11.091 -0.413 67 HB3 LEU 9 3HB LEU 9 -2.454 11.795 -1.401 68 HG LEU 9 HG LEU 9 -3.288 14.044 -0.838 69 HD11 LEU 9 1HD1 LEU 9 -4.892 13.304 1.429 70 HD12 LEU 9 2HD1 LEU 9 -5.589 12.663 -0.058 71 HD13 LEU 9 3HD1 LEU 9 -5.271 14.391 0.093 72 HD21 LEU 9 1HD2 LEU 9 -1.568 13.576 0.570 73 HD22 LEU 9 2HD2 LEU 9 -2.326 12.109 1.192 74 HD23 LEU 9 3HD2 LEU 9 -2.862 13.690 1.763 75 H AIB 10 HN AIB 10 -2.630 12.672 -3.938 76 HB11 AIB 10 1HB1 AIB 10 -2.411 15.003 -6.597 77 HB12 AIB 10 2HB1 AIB 10 -1.175 15.137 -5.276 78 HB13 AIB 10 3HB1 AIB 10 -1.821 13.509 -5.754 79 HB21 AIB 10 1HB2 AIB 10 -2.111 15.503 -2.878 80 HB22 AIB 10 2HB2 AIB 10 -2.418 16.713 -4.194 81 HB23 AIB 10 3HB2 AIB 10 -3.773 16.193 -3.104 82 HA PRO 11 HA PRO 11 -6.216 15.403 -7.430 83 HB2 PRO 11 2HB PRO 11 -7.299 13.018 -8.142 84 HB3 PRO 11 3HB PRO 11 -5.849 13.680 -8.904 85 HG2 PRO 11 2HG PRO 11 -6.082 11.614 -6.750 86 HG3 PRO 11 3HG PRO 11 -5.024 11.632 -8.173 87 HD2 PRO 11 2HD PRO 11 -4.152 12.313 -5.702 88 HD3 PRO 11 3HD PRO 11 -3.502 13.050 -7.181 89 HN1 DCL 12 HN DCL 12 -6.275 13.542 -4.562 90 HA DCL 12 HA DCL 12 -9.213 13.183 -4.244 91 HC1 DCL 12 2HB1 DCL 12 -9.158 15.065 -2.273 92 HC2 DCL 12 3HB1 DCL 12 -7.929 15.815 -3.378 93 HB1 DCL 12 2HB DCL 12 -7.066 12.181 -2.924 94 HB2 DCL 12 3HB DCL 12 -7.414 13.585 -1.829 95 HG DCL 12 HG DCL 12 -9.936 12.641 -2.071 96 HD11 DCL 12 1HD1 DCL 12 -7.592 12.085 -0.248 97 HD12 DCL 12 2HD1 DCL 12 -9.249 12.712 0.147 98 HD13 DCL 12 3HD1 DCL 12 -8.982 10.930 -0.083 99 HD21 DCL 12 1HD2 DCL 12 -8.404 10.005 -2.034 100 HD22 DCL 12 2HD2 DCL 12 -10.155 10.330 -2.385 101 HD23 DCL 12 3HD2 DCL 12 -8.888 10.750 -3.616 102 HXT DCL 12 4H1 DCL 12 -9.697 16.434 -4.671 Start of MODEL 8 1 H1 ACE 1 1H1 ACE 1 1.886 0.522 3.545 2 H2 ACE 1 2H1 ACE 1 0.706 -0.278 2.479 3 H3 ACE 1 3H1 ACE 1 2.189 0.430 1.794 4 H AIB 2 HN AIB 2 1.884 2.135 0.687 5 HB11 AIB 2 1HB1 AIB 2 1.858 4.834 2.353 6 HB12 AIB 2 2HB1 AIB 2 0.496 5.880 1.769 7 HB13 AIB 2 3HB1 AIB 2 0.175 4.557 2.970 8 HB21 AIB 2 1HB2 AIB 2 -1.318 2.743 1.171 9 HB22 AIB 2 2HB2 AIB 2 -1.522 4.544 1.257 10 HB23 AIB 2 3HB2 AIB 2 -1.227 3.739 -0.342 11 H ASN 3 HN ASN 3 1.534 2.628 -1.112 12 HA ASN 3 HA ASN 3 2.824 4.936 -2.238 13 HB2 ASN 3 2HB ASN 3 3.264 2.226 -2.392 14 HB3 ASN 3 3HB ASN 3 2.570 2.582 -3.971 15 HD21 ASN 3 1HD2 ASN 3 5.330 1.879 -2.979 16 HD22 ASN 3 2HD2 ASN 3 6.352 3.076 -3.691 17 H ILE 4 HN ILE 4 -0.243 3.445 -2.530 18 HA ILE 4 HA ILE 4 -0.788 4.655 -5.129 19 HB ILE 4 HB ILE 4 -2.572 2.964 -3.372 20 HG12 ILE 4 2HG1 ILE 4 -1.036 2.247 -5.879 21 HG13 ILE 4 3HG1 ILE 4 -0.605 1.753 -4.246 22 HG21 ILE 4 1HG2 ILE 4 -4.237 3.625 -4.682 23 HG22 ILE 4 2HG2 ILE 4 -3.135 4.593 -5.659 24 HG23 ILE 4 3HG2 ILE 4 -3.404 2.895 -6.054 25 HD11 ILE 4 1HD1 ILE 4 -1.676 -0.091 -5.220 26 HD12 ILE 4 2HD1 ILE 4 -2.870 0.633 -4.142 27 HD13 ILE 4 3HD1 ILE 4 -2.971 0.907 -5.881 28 H ILE 5 HN ILE 5 -1.560 5.049 -1.741 29 HA ILE 5 HA ILE 5 -3.684 6.914 -2.117 30 HB ILE 5 HB ILE 5 -1.950 6.452 0.312 31 HG12 ILE 5 2HG1 ILE 5 -3.198 4.449 -0.429 32 HG13 ILE 5 3HG1 ILE 5 -3.781 5.057 1.117 33 HG21 ILE 5 1HG2 ILE 5 -4.473 8.025 -0.107 34 HG22 ILE 5 2HG2 ILE 5 -3.985 7.439 1.482 35 HG23 ILE 5 3HG2 ILE 5 -2.947 8.559 0.598 36 HD11 ILE 5 1HD1 ILE 5 -5.275 4.493 -1.172 37 HD12 ILE 5 2HD1 ILE 5 -5.829 5.262 0.316 38 HD13 ILE 5 3HD1 ILE 5 -5.258 6.250 -1.029 39 H AIB 6 HN AIB 6 -0.180 7.087 -1.610 40 HB11 AIB 6 1HB1 AIB 6 2.209 9.284 -2.910 41 HB12 AIB 6 2HB1 AIB 6 2.282 9.111 -1.105 42 HB13 AIB 6 3HB1 AIB 6 1.788 7.700 -2.134 43 HB21 AIB 6 1HB2 AIB 6 0.701 11.088 -0.862 44 HB22 AIB 6 2HB2 AIB 6 -0.966 10.425 -0.594 45 HB23 AIB 6 3HB2 AIB 6 0.463 9.639 0.202 46 HA PRO 7 HA PRO 7 0.157 10.981 -5.748 47 HB2 PRO 7 2HB PRO 7 -0.655 9.106 -7.535 48 HB3 PRO 7 3HB PRO 7 1.031 9.294 -7.039 49 HG2 PRO 7 2HG PRO 7 -1.016 7.328 -6.088 50 HG3 PRO 7 3HG PRO 7 0.691 7.061 -6.486 51 HD2 PRO 7 2HD PRO 7 -0.188 7.320 -3.938 52 HD3 PRO 7 3HD PRO 7 1.421 7.867 -4.453 53 H LEU 8 HN LEU 8 -2.325 8.573 -4.932 54 HA LEU 8 HA LEU 8 -4.429 9.810 -6.354 55 HB2 LEU 8 2HB LEU 8 -4.351 7.858 -4.075 56 HB3 LEU 8 3HB LEU 8 -5.872 8.460 -4.730 57 HG LEU 8 HG LEU 8 -3.792 6.868 -6.228 58 HD11 LEU 8 1HD1 LEU 8 -6.571 6.129 -5.324 59 HD12 LEU 8 2HD1 LEU 8 -5.069 5.560 -4.596 60 HD13 LEU 8 3HD1 LEU 8 -5.469 5.114 -6.255 61 HD21 LEU 8 1HD2 LEU 8 -6.120 8.449 -7.096 62 HD22 LEU 8 2HD2 LEU 8 -6.005 6.824 -7.771 63 HD23 LEU 8 3HD2 LEU 8 -4.677 7.965 -7.986 64 H LEU 9 HN LEU 9 -2.834 10.685 -3.501 65 HA LEU 9 HA LEU 9 -4.984 11.926 -2.114 66 HB2 LEU 9 2HB LEU 9 -2.912 11.271 -1.003 67 HB3 LEU 9 3HB LEU 9 -2.016 12.440 -1.972 68 HG LEU 9 HG LEU 9 -3.596 14.180 -0.856 69 HD11 LEU 9 1HD1 LEU 9 -3.634 12.672 1.589 70 HD12 LEU 9 2HD1 LEU 9 -4.556 11.841 0.337 71 HD13 LEU 9 3HD1 LEU 9 -4.951 13.505 0.764 72 HD21 LEU 9 1HD2 LEU 9 -1.497 14.605 -0.189 73 HD22 LEU 9 2HD2 LEU 9 -1.118 12.899 0.046 74 HD23 LEU 9 3HD2 LEU 9 -1.980 13.793 1.300 75 H AIB 10 HN AIB 10 -2.538 12.973 -4.468 76 HB11 AIB 10 1HB1 AIB 10 -1.848 13.849 -6.259 77 HB12 AIB 10 2HB1 AIB 10 -2.791 15.097 -7.178 78 HB13 AIB 10 3HB1 AIB 10 -1.428 15.606 -6.093 79 HB21 AIB 10 1HB2 AIB 10 -3.548 16.299 -3.343 80 HB22 AIB 10 2HB2 AIB 10 -1.810 15.932 -3.708 81 HB23 AIB 10 3HB2 AIB 10 -2.732 17.093 -4.754 82 HA PRO 11 HA PRO 11 -6.626 15.568 -7.475 83 HB2 PRO 11 2HB PRO 11 -7.728 13.146 -8.014 84 HB3 PRO 11 3HB PRO 11 -6.410 13.836 -8.968 85 HG2 PRO 11 2HG PRO 11 -6.299 11.792 -6.784 86 HG3 PRO 11 3HG PRO 11 -5.440 11.819 -8.335 87 HD2 PRO 11 2HD PRO 11 -4.268 12.554 -6.007 88 HD3 PRO 11 3HD PRO 11 -3.839 13.289 -7.565 89 HN1 DCL 12 HN DCL 12 -6.382 13.357 -4.774 90 HA DCL 12 HA DCL 12 -9.338 13.621 -4.063 91 HC1 DCL 12 2HB1 DCL 12 -8.979 14.807 -1.984 92 HC2 DCL 12 3HB1 DCL 12 -7.181 14.572 -2.062 93 HB1 DCL 12 2HB DCL 12 -7.974 11.459 -3.772 94 HB2 DCL 12 3HB DCL 12 -7.076 12.301 -2.439 95 HG DCL 12 HG DCL 12 -9.986 12.607 -2.125 96 HD11 DCL 12 1HD1 DCL 12 -8.652 12.964 -0.193 97 HD12 DCL 12 2HD1 DCL 12 -9.198 11.253 0.073 98 HD13 DCL 12 3HD1 DCL 12 -7.539 11.586 -0.587 99 HD21 DCL 12 1HD2 DCL 12 -9.944 9.980 -1.312 100 HD22 DCL 12 2HD2 DCL 12 -10.616 10.548 -2.900 101 HD23 DCL 12 3HD2 DCL 12 -8.930 9.879 -2.813 102 HXT DCL 12 4H1 DCL 12 -7.133 16.519 -3.240 Start of MODEL 9 1 H1 ACE 1 1H1 ACE 1 0.972 -0.786 2.956 2 H2 ACE 1 2H1 ACE 1 1.827 -0.430 1.436 3 H3 ACE 1 3H1 ACE 1 2.282 0.418 2.934 4 H AIB 2 HN AIB 2 1.813 1.803 0.676 5 HB11 AIB 2 1HB1 AIB 2 -0.863 3.478 2.627 6 HB12 AIB 2 2HB1 AIB 2 0.724 4.301 2.317 7 HB13 AIB 2 3HB1 AIB 2 -0.790 4.919 1.529 8 HB21 AIB 2 1HB2 AIB 2 -2.150 2.821 0.886 9 HB22 AIB 2 2HB2 AIB 2 -1.572 2.980 -0.826 10 HB23 AIB 2 3HB2 AIB 2 -1.290 1.438 0.088 11 H ASN 3 HN ASN 3 1.692 2.315 -1.147 12 HA ASN 3 HA ASN 3 2.748 4.803 -1.883 13 HB2 ASN 3 2HB ASN 3 2.941 2.052 -2.799 14 HB3 ASN 3 3HB ASN 3 2.981 3.187 -4.145 15 HD21 ASN 3 1HD2 ASN 3 5.077 1.469 -3.049 16 HD22 ASN 3 2HD2 ASN 3 6.382 2.523 -2.635 17 H ILE 4 HN ILE 4 -0.233 3.316 -2.671 18 HA ILE 4 HA ILE 4 -0.660 4.809 -5.108 19 HB ILE 4 HB ILE 4 -2.715 3.280 -3.514 20 HG12 ILE 4 2HG1 ILE 4 -2.073 1.637 -5.579 21 HG13 ILE 4 3HG1 ILE 4 -0.502 2.355 -5.241 22 HG21 ILE 4 1HG2 ILE 4 -3.056 3.232 -6.356 23 HG22 ILE 4 2HG2 ILE 4 -4.141 3.853 -5.114 24 HG23 ILE 4 3HG2 ILE 4 -2.900 4.899 -5.803 25 HD11 ILE 4 1HD1 ILE 4 -1.959 1.429 -2.875 26 HD12 ILE 4 2HD1 ILE 4 -1.493 0.163 -4.012 27 HD13 ILE 4 3HD1 ILE 4 -0.266 1.227 -3.325 28 H ILE 5 HN ILE 5 -1.213 5.236 -1.733 29 HA ILE 5 HA ILE 5 -3.337 7.126 -1.923 30 HB ILE 5 HB ILE 5 -1.350 6.688 0.310 31 HG12 ILE 5 2HG1 ILE 5 -2.727 4.704 -0.243 32 HG13 ILE 5 3HG1 ILE 5 -3.100 5.354 1.350 33 HG21 ILE 5 1HG2 ILE 5 -3.533 7.687 1.517 34 HG22 ILE 5 2HG2 ILE 5 -2.181 8.679 0.974 35 HG23 ILE 5 3HG2 ILE 5 -3.625 8.533 -0.028 36 HD11 ILE 5 1HD1 ILE 5 -4.705 5.791 -1.157 37 HD12 ILE 5 2HD1 ILE 5 -5.116 4.706 0.172 38 HD13 ILE 5 3HD1 ILE 5 -5.079 6.450 0.435 39 H AIB 6 HN AIB 6 0.203 7.261 -1.817 40 HB11 AIB 6 1HB1 AIB 6 2.439 9.360 -3.456 41 HB12 AIB 6 2HB1 AIB 6 2.738 9.297 -1.668 42 HB13 AIB 6 3HB1 AIB 6 2.112 7.831 -2.537 43 HB21 AIB 6 1HB2 AIB 6 -0.416 10.679 -0.836 44 HB22 AIB 6 2HB2 AIB 6 1.025 9.825 -0.138 45 HB23 AIB 6 3HB2 AIB 6 1.258 11.240 -1.251 46 HA PRO 7 HA PRO 7 0.112 11.062 -6.057 47 HB2 PRO 7 2HB PRO 7 -0.908 9.158 -7.702 48 HB3 PRO 7 3HB PRO 7 0.824 9.340 -7.401 49 HG2 PRO 7 2HG PRO 7 -1.118 7.414 -6.184 50 HG3 PRO 7 3HG PRO 7 0.532 7.122 -6.765 51 HD2 PRO 7 2HD PRO 7 -0.054 7.443 -4.141 52 HD3 PRO 7 3HD PRO 7 1.490 7.964 -4.845 53 H LEU 8 HN LEU 8 -2.279 8.699 -4.909 54 HA LEU 8 HA LEU 8 -4.522 9.921 -6.117 55 HB2 LEU 8 2HB LEU 8 -4.202 8.027 -3.810 56 HB3 LEU 8 3HB LEU 8 -5.783 8.626 -4.309 57 HG LEU 8 HG LEU 8 -3.891 6.980 -5.988 58 HD11 LEU 8 1HD1 LEU 8 -5.592 5.245 -5.784 59 HD12 LEU 8 2HD1 LEU 8 -6.540 6.289 -4.725 60 HD13 LEU 8 3HD1 LEU 8 -4.960 5.705 -4.203 61 HD21 LEU 8 1HD2 LEU 8 -5.920 6.865 -7.500 62 HD22 LEU 8 2HD2 LEU 8 -5.049 8.399 -7.474 63 HD23 LEU 8 3HD2 LEU 8 -6.562 8.228 -6.582 64 H LEU 9 HN LEU 9 -2.608 10.852 -3.486 65 HA LEU 9 HA LEU 9 -4.580 12.148 -1.898 66 HB2 LEU 9 2HB LEU 9 -2.402 11.502 -1.010 67 HB3 LEU 9 3HB LEU 9 -1.611 12.634 -2.106 68 HG LEU 9 HG LEU 9 -2.823 14.483 -0.914 69 HD11 LEU 9 1HD1 LEU 9 -4.228 14.118 0.788 70 HD12 LEU 9 2HD1 LEU 9 -3.223 12.841 1.471 71 HD13 LEU 9 3HD1 LEU 9 -4.333 12.477 0.151 72 HD21 LEU 9 1HD2 LEU 9 -1.327 14.429 1.050 73 HD22 LEU 9 2HD2 LEU 9 -0.495 14.040 -0.456 74 HD23 LEU 9 3HD2 LEU 9 -0.929 12.753 0.671 75 H AIB 10 HN AIB 10 -2.408 13.112 -4.539 76 HB11 AIB 10 1HB1 AIB 10 -1.314 15.426 -6.210 77 HB12 AIB 10 2HB1 AIB 10 -2.201 13.892 -6.601 78 HB13 AIB 10 3HB1 AIB 10 -2.824 15.483 -7.214 79 HB21 AIB 10 1HB2 AIB 10 -1.567 16.093 -3.969 80 HB22 AIB 10 2HB2 AIB 10 -2.631 17.231 -4.899 81 HB23 AIB 10 3HB2 AIB 10 -3.244 16.453 -3.378 82 HA PRO 11 HA PRO 11 -6.791 15.670 -7.134 83 HB2 PRO 11 2HB PRO 11 -7.963 13.246 -7.482 84 HB3 PRO 11 3HB PRO 11 -6.756 13.898 -8.597 85 HG2 PRO 11 2HG PRO 11 -6.414 11.910 -6.385 86 HG3 PRO 11 3HG PRO 11 -5.735 11.889 -8.023 87 HD2 PRO 11 2HD PRO 11 -4.303 12.671 -5.862 88 HD3 PRO 11 3HD PRO 11 -4.048 13.362 -7.478 89 HN1 DCL 12 HN DCL 12 -6.572 13.069 -4.700 90 HA DCL 12 HA DCL 12 -9.077 14.245 -3.318 91 HC1 DCL 12 2HB1 DCL 12 -6.482 13.068 -2.091 92 HC2 DCL 12 3HB1 DCL 12 -7.093 14.771 -1.949 93 HB1 DCL 12 2HB DCL 12 -8.897 11.718 -4.352 94 HB2 DCL 12 3HB DCL 12 -8.169 11.420 -2.716 95 HG DCL 12 HG DCL 12 -10.385 12.969 -2.080 96 HD11 DCL 12 1HD1 DCL 12 -9.572 10.076 -2.079 97 HD12 DCL 12 2HD1 DCL 12 -10.268 11.085 -0.742 98 HD13 DCL 12 3HD1 DCL 12 -11.365 10.332 -1.977 99 HD21 DCL 12 1HD2 DCL 12 -12.257 12.467 -3.373 100 HD22 DCL 12 2HD2 DCL 12 -10.980 12.571 -4.658 101 HD23 DCL 12 3HD2 DCL 12 -11.525 10.950 -4.048 102 HXT DCL 12 4H1 DCL 12 -8.314 14.021 -0.181 Start of MODEL 10 1 H1 ACE 1 1H1 ACE 1 2.402 0.174 1.898 2 H2 ACE 1 2H1 ACE 1 1.635 -0.106 3.479 3 H3 ACE 1 3H1 ACE 1 1.074 -1.002 2.047 4 H AIB 2 HN AIB 2 1.801 1.750 0.697 5 HB11 AIB 2 1HB1 AIB 2 -0.725 4.907 1.590 6 HB12 AIB 2 2HB1 AIB 2 -0.841 3.467 2.689 7 HB13 AIB 2 3HB1 AIB 2 0.771 4.240 2.370 8 HB21 AIB 2 1HB2 AIB 2 -1.524 2.802 -0.801 9 HB22 AIB 2 2HB2 AIB 2 -1.378 1.410 0.353 10 HB23 AIB 2 3HB2 AIB 2 -2.169 2.954 0.887 11 H ASN 3 HN ASN 3 1.644 2.256 -1.125 12 HA ASN 3 HA ASN 3 2.704 4.730 -1.895 13 HB2 ASN 3 2HB ASN 3 2.863 1.976 -2.792 14 HB3 ASN 3 3HB ASN 3 2.860 3.092 -4.154 15 HD21 ASN 3 1HD2 ASN 3 4.613 4.345 -4.537 16 HD22 ASN 3 2HD2 ASN 3 6.078 4.256 -3.625 17 H ILE 4 HN ILE 4 -0.307 3.267 -2.608 18 HA ILE 4 HA ILE 4 -0.777 4.755 -5.041 19 HB ILE 4 HB ILE 4 -2.807 3.249 -3.396 20 HG12 ILE 4 2HG1 ILE 4 -2.226 1.595 -5.470 21 HG13 ILE 4 3HG1 ILE 4 -0.641 2.300 -5.169 22 HG21 ILE 4 1HG2 ILE 4 -3.030 4.862 -5.685 23 HG22 ILE 4 2HG2 ILE 4 -3.211 3.196 -6.230 24 HG23 ILE 4 3HG2 ILE 4 -4.265 3.830 -4.966 25 HD11 ILE 4 1HD1 ILE 4 -1.435 0.109 -3.955 26 HD12 ILE 4 2HD1 ILE 4 -0.440 1.310 -3.129 27 HD13 ILE 4 3HD1 ILE 4 -2.181 1.266 -2.853 28 H ILE 5 HN ILE 5 -1.253 5.195 -1.655 29 HA ILE 5 HA ILE 5 -3.363 7.104 -1.805 30 HB ILE 5 HB ILE 5 -1.333 6.654 0.386 31 HG12 ILE 5 2HG1 ILE 5 -2.740 4.682 -0.132 32 HG13 ILE 5 3HG1 ILE 5 -3.073 5.339 1.466 33 HG21 ILE 5 1HG2 ILE 5 -3.329 7.699 1.722 34 HG22 ILE 5 2HG2 ILE 5 -2.157 8.732 0.906 35 HG23 ILE 5 3HG2 ILE 5 -3.724 8.418 0.161 36 HD11 ILE 5 1HD1 ILE 5 -5.082 6.388 0.661 37 HD12 ILE 5 2HD1 ILE 5 -4.726 5.874 -0.989 38 HD13 ILE 5 3HD1 ILE 5 -5.101 4.674 0.248 39 H AIB 6 HN AIB 6 0.179 7.208 -1.776 40 HB11 AIB 6 1HB1 AIB 6 2.497 9.486 -3.309 41 HB12 AIB 6 2HB1 AIB 6 2.675 8.975 -1.577 42 HB13 AIB 6 3HB1 AIB 6 2.037 7.804 -2.809 43 HB21 AIB 6 1HB2 AIB 6 -0.319 10.840 -0.955 44 HB22 AIB 6 2HB2 AIB 6 0.797 9.713 -0.075 45 HB23 AIB 6 3HB2 AIB 6 1.477 11.027 -1.126 46 HA PRO 7 HA PRO 7 0.030 11.001 -6.023 47 HB2 PRO 7 2HB PRO 7 -1.043 9.102 -7.640 48 HB3 PRO 7 3HB PRO 7 0.697 9.269 -7.378 49 HG2 PRO 7 2HG PRO 7 -1.235 7.363 -6.115 50 HG3 PRO 7 3HG PRO 7 0.400 7.056 -6.730 51 HD2 PRO 7 2HD PRO 7 -0.126 7.387 -4.095 52 HD3 PRO 7 3HD PRO 7 1.407 7.893 -4.833 53 H LEU 8 HN LEU 8 -2.356 8.661 -4.817 54 HA LEU 8 HA LEU 8 -4.614 9.900 -5.979 55 HB2 LEU 8 2HB LEU 8 -4.261 8.009 -3.674 56 HB3 LEU 8 3HB LEU 8 -5.847 8.620 -4.141 57 HG LEU 8 HG LEU 8 -4.005 6.954 -5.856 58 HD11 LEU 8 1HD1 LEU 8 -5.736 5.241 -5.617 59 HD12 LEU 8 2HD1 LEU 8 -6.624 6.293 -4.515 60 HD13 LEU 8 3HD1 LEU 8 -5.035 5.679 -4.059 61 HD21 LEU 8 1HD2 LEU 8 -5.167 8.337 -7.347 62 HD22 LEU 8 2HD2 LEU 8 -6.651 8.268 -6.396 63 HD23 LEU 8 3HD2 LEU 8 -6.112 6.849 -7.296 64 H LEU 9 HN LEU 9 -2.636 10.820 -3.393 65 HA LEU 9 HA LEU 9 -4.561 12.137 -1.766 66 HB2 LEU 9 2HB LEU 9 -2.371 11.475 -0.923 67 HB3 LEU 9 3HB LEU 9 -1.594 12.596 -2.039 68 HG LEU 9 HG LEU 9 -3.074 14.361 -0.740 69 HD11 LEU 9 1HD1 LEU 9 -3.954 13.739 1.207 70 HD12 LEU 9 2HD1 LEU 9 -2.496 12.867 1.679 71 HD13 LEU 9 3HD1 LEU 9 -3.710 12.076 0.674 72 HD21 LEU 9 1HD2 LEU 9 -0.453 13.797 -0.858 73 HD22 LEU 9 2HD2 LEU 9 -0.749 13.472 0.850 74 HD23 LEU 9 3HD2 LEU 9 -1.128 15.057 0.176 75 H AIB 10 HN AIB 10 -2.438 13.076 -4.456 76 HB11 AIB 10 1HB1 AIB 10 -2.100 13.860 -6.417 77 HB12 AIB 10 2HB1 AIB 10 -2.980 15.264 -7.158 78 HB13 AIB 10 3HB1 AIB 10 -1.445 15.541 -6.230 79 HB21 AIB 10 1HB2 AIB 10 -3.297 16.518 -3.362 80 HB22 AIB 10 2HB2 AIB 10 -1.614 15.998 -3.795 81 HB23 AIB 10 3HB2 AIB 10 -2.507 17.162 -4.863 82 HA PRO 11 HA PRO 11 -6.855 15.666 -6.961 83 HB2 PRO 11 2HB PRO 11 -8.056 13.251 -7.278 84 HB3 PRO 11 3HB PRO 11 -6.867 13.890 -8.420 85 HG2 PRO 11 2HG PRO 11 -6.495 11.904 -6.211 86 HG3 PRO 11 3HG PRO 11 -5.851 11.874 -7.864 87 HD2 PRO 11 2HD PRO 11 -4.366 12.649 -5.736 88 HD3 PRO 11 3HD PRO 11 -4.140 13.333 -7.358 89 HN1 DCL 12 HN DCL 12 -6.544 13.137 -4.474 90 HA DCL 12 HA DCL 12 -9.067 14.269 -3.091 91 HC1 DCL 12 2HB1 DCL 12 -6.444 13.204 -1.817 92 HC2 DCL 12 3HB1 DCL 12 -7.014 14.927 -1.831 93 HB1 DCL 12 2HB DCL 12 -7.884 11.426 -3.167 94 HB2 DCL 12 3HB DCL 12 -9.143 11.951 -1.970 95 HG DCL 12 HG DCL 12 -9.792 12.656 -4.792 96 HD11 DCL 12 1HD1 DCL 12 -11.378 10.828 -2.903 97 HD12 DCL 12 2HD1 DCL 12 -11.182 12.585 -2.493 98 HD13 DCL 12 3HD1 DCL 12 -11.984 12.099 -4.048 99 HD21 DCL 12 1HD2 DCL 12 -8.763 10.581 -5.419 100 HD22 DCL 12 2HD2 DCL 12 -9.406 9.728 -3.952 101 HD23 DCL 12 3HD2 DCL 12 -10.538 10.235 -5.279 102 HXT DCL 12 4H1 DCL 12 -8.243 14.372 0.002 Start of MODEL 11 1 H1 ACE 1 1H1 ACE 1 2.321 0.009 1.768 2 H2 ACE 1 2H1 ACE 1 1.905 0.131 3.495 3 H3 ACE 1 3H1 ACE 1 1.025 -1.006 2.445 4 H AIB 2 HN AIB 2 1.859 1.769 0.788 5 HB11 AIB 2 1HB1 AIB 2 0.491 4.822 1.922 6 HB12 AIB 2 2HB1 AIB 2 -1.262 4.354 1.915 7 HB13 AIB 2 3HB1 AIB 2 -0.073 3.408 2.908 8 HB21 AIB 2 1HB2 AIB 2 -1.580 2.987 -0.681 9 HB22 AIB 2 2HB2 AIB 2 -1.210 1.392 0.100 10 HB23 AIB 2 3HB2 AIB 2 -2.093 2.676 1.030 11 H ASN 3 HN ASN 3 1.739 2.267 -1.039 12 HA ASN 3 HA ASN 3 2.779 4.756 -1.791 13 HB2 ASN 3 2HB ASN 3 3.335 2.124 -2.396 14 HB3 ASN 3 3HB ASN 3 2.760 2.759 -3.934 15 HD21 ASN 3 1HD2 ASN 3 4.033 4.088 -5.093 16 HD22 ASN 3 2HD2 ASN 3 5.615 4.588 -4.609 17 H ILE 4 HN ILE 4 -0.190 3.243 -2.573 18 HA ILE 4 HA ILE 4 -0.623 4.715 -5.022 19 HB ILE 4 HB ILE 4 -2.670 3.183 -3.422 20 HG12 ILE 4 2HG1 ILE 4 -2.009 1.534 -5.480 21 HG13 ILE 4 3HG1 ILE 4 -0.444 2.262 -5.132 22 HG21 ILE 4 1HG2 ILE 4 -4.097 3.739 -5.027 23 HG22 ILE 4 2HG2 ILE 4 -2.860 4.784 -5.722 24 HG23 ILE 4 3HG2 ILE 4 -3.007 3.113 -6.263 25 HD11 ILE 4 1HD1 ILE 4 -1.826 1.406 -2.731 26 HD12 ILE 4 2HD1 ILE 4 -1.545 0.087 -3.869 27 HD13 ILE 4 3HD1 ILE 4 -0.190 1.054 -3.288 28 H ILE 5 HN ILE 5 -1.188 5.161 -1.651 29 HA ILE 5 HA ILE 5 -3.324 7.035 -1.860 30 HB ILE 5 HB ILE 5 -1.341 6.625 0.382 31 HG12 ILE 5 2HG1 ILE 5 -2.703 4.628 -0.163 32 HG13 ILE 5 3HG1 ILE 5 -3.086 5.286 1.425 33 HG21 ILE 5 1HG2 ILE 5 -3.201 7.693 1.739 34 HG22 ILE 5 2HG2 ILE 5 -2.271 8.764 0.692 35 HG23 ILE 5 3HG2 ILE 5 -3.876 8.226 0.200 36 HD11 ILE 5 1HD1 ILE 5 -4.686 5.767 -1.077 37 HD12 ILE 5 2HD1 ILE 5 -5.077 4.592 0.179 38 HD13 ILE 5 3HD1 ILE 5 -5.085 6.316 0.550 39 H AIB 6 HN AIB 6 0.215 7.195 -1.745 40 HB11 AIB 6 1HB1 AIB 6 2.705 9.110 -1.531 41 HB12 AIB 6 2HB1 AIB 6 2.101 7.789 -2.617 42 HB13 AIB 6 3HB1 AIB 6 2.495 9.422 -3.305 43 HB21 AIB 6 1HB2 AIB 6 0.900 9.740 -0.055 44 HB22 AIB 6 2HB2 AIB 6 1.336 11.121 -1.148 45 HB23 AIB 6 3HB2 AIB 6 -0.407 10.706 -0.860 46 HA PRO 7 HA PRO 7 0.111 10.969 -6.008 47 HB2 PRO 7 2HB PRO 7 -0.893 9.049 -7.644 48 HB3 PRO 7 3HB PRO 7 0.837 9.244 -7.340 49 HG2 PRO 7 2HG PRO 7 -1.096 7.312 -6.117 50 HG3 PRO 7 3HG PRO 7 0.558 7.028 -6.691 51 HD2 PRO 7 2HD PRO 7 -0.037 7.361 -4.070 52 HD3 PRO 7 3HD PRO 7 1.506 7.887 -4.774 53 H LEU 8 HN LEU 8 -2.268 8.598 -4.852 54 HA LEU 8 HA LEU 8 -4.516 9.798 -6.073 55 HB2 LEU 8 2HB LEU 8 -4.190 7.920 -3.753 56 HB3 LEU 8 3HB LEU 8 -5.773 8.505 -4.260 57 HG LEU 8 HG LEU 8 -3.866 6.862 -5.923 58 HD11 LEU 8 1HD1 LEU 8 -5.555 5.117 -5.713 59 HD12 LEU 8 2HD1 LEU 8 -6.514 6.160 -4.664 60 HD13 LEU 8 3HD1 LEU 8 -4.931 5.591 -4.133 61 HD21 LEU 8 1HD2 LEU 8 -6.363 8.334 -6.556 62 HD22 LEU 8 2HD2 LEU 8 -6.147 6.737 -7.274 63 HD23 LEU 8 3HD2 LEU 8 -4.954 8.003 -7.564 64 H LEU 9 HN LEU 9 -2.615 10.757 -3.443 65 HA LEU 9 HA LEU 9 -4.599 12.050 -1.868 66 HB2 LEU 9 2HB LEU 9 -2.420 11.424 -0.970 67 HB3 LEU 9 3HB LEU 9 -1.633 12.553 -2.071 68 HG LEU 9 HG LEU 9 -2.759 14.420 -0.903 69 HD11 LEU 9 1HD1 LEU 9 -3.497 13.405 1.528 70 HD12 LEU 9 2HD1 LEU 9 -4.119 12.195 0.407 71 HD13 LEU 9 3HD1 LEU 9 -4.601 13.883 0.239 72 HD21 LEU 9 1HD2 LEU 9 -1.345 12.822 1.185 73 HD22 LEU 9 2HD2 LEU 9 -1.204 14.536 0.793 74 HD23 LEU 9 3HD2 LEU 9 -0.479 13.326 -0.267 75 H AIB 10 HN AIB 10 -2.426 13.012 -4.509 76 HB11 AIB 10 1HB1 AIB 10 -1.516 15.603 -6.343 77 HB12 AIB 10 2HB1 AIB 10 -1.918 13.835 -6.382 78 HB13 AIB 10 3HB1 AIB 10 -2.982 15.028 -7.243 79 HB21 AIB 10 1HB2 AIB 10 -1.595 16.017 -3.985 80 HB22 AIB 10 2HB2 AIB 10 -2.708 17.134 -4.883 81 HB23 AIB 10 3HB2 AIB 10 -3.266 16.333 -3.353 82 HA PRO 11 HA PRO 11 -6.820 15.525 -7.131 83 HB2 PRO 11 2HB PRO 11 -7.976 13.092 -7.467 84 HB3 PRO 11 3HB PRO 11 -6.770 13.745 -8.582 85 HG2 PRO 11 2HG PRO 11 -6.421 11.772 -6.358 86 HG3 PRO 11 3HG PRO 11 -5.737 11.746 -7.994 87 HD2 PRO 11 2HD PRO 11 -4.316 12.551 -5.834 88 HD3 PRO 11 3HD PRO 11 -4.061 13.233 -7.453 89 HN1 DCL 12 HN DCL 12 -6.594 12.937 -4.683 90 HA DCL 12 HA DCL 12 -9.242 13.901 -3.440 91 HC1 DCL 12 2HB1 DCL 12 -6.612 13.383 -1.876 92 HC2 DCL 12 3HB1 DCL 12 -7.312 15.019 -2.230 93 HB1 DCL 12 2HB DCL 12 -8.077 11.299 -3.906 94 HB2 DCL 12 3HB DCL 12 -8.092 11.567 -2.111 95 HG DCL 12 HG DCL 12 -10.176 10.479 -2.829 96 HD11 DCL 12 1HD1 DCL 12 -10.916 13.003 -4.413 97 HD12 DCL 12 2HD1 DCL 12 -9.936 11.697 -5.207 98 HD13 DCL 12 3HD1 DCL 12 -11.588 11.323 -4.553 99 HD21 DCL 12 1HD2 DCL 12 -10.808 13.430 -2.247 100 HD22 DCL 12 2HD2 DCL 12 -11.790 11.966 -1.816 101 HD23 DCL 12 3HD2 DCL 12 -10.197 12.265 -0.997 102 HXT DCL 12 4H1 DCL 12 -8.656 14.662 -0.427 Start of MODEL 12 1 H1 ACE 1 1H1 ACE 1 2.217 -0.292 1.448 2 H2 ACE 1 2H1 ACE 1 1.931 -0.050 3.188 3 H3 ACE 1 3H1 ACE 1 1.009 -1.285 2.297 4 H AIB 2 HN AIB 2 1.787 1.635 0.676 5 HB11 AIB 2 1HB1 AIB 2 -1.603 3.834 1.802 6 HB12 AIB 2 2HB1 AIB 2 -0.296 3.025 2.768 7 HB13 AIB 2 3HB1 AIB 2 0.063 4.551 1.852 8 HB21 AIB 2 1HB2 AIB 2 -2.221 2.219 0.725 9 HB22 AIB 2 2HB2 AIB 2 -1.653 2.728 -0.921 10 HB23 AIB 2 3HB2 AIB 2 -1.189 1.101 -0.263 11 H ASN 3 HN ASN 3 1.745 2.246 -1.118 12 HA ASN 3 HA ASN 3 2.641 4.848 -1.642 13 HB2 ASN 3 2HB ASN 3 3.487 2.346 -2.327 14 HB3 ASN 3 3HB ASN 3 2.878 2.934 -3.872 15 HD21 ASN 3 1HD2 ASN 3 4.144 4.201 -5.045 16 HD22 ASN 3 2HD2 ASN 3 5.603 4.948 -4.496 17 H ILE 4 HN ILE 4 -0.149 3.181 -2.717 18 HA ILE 4 HA ILE 4 -0.538 4.750 -5.106 19 HB ILE 4 HB ILE 4 -2.553 3.013 -3.681 20 HG12 ILE 4 2HG1 ILE 4 -1.762 1.518 -5.779 21 HG13 ILE 4 3HG1 ILE 4 -0.253 2.358 -5.439 22 HG21 ILE 4 1HG2 ILE 4 -3.962 3.704 -5.248 23 HG22 ILE 4 2HG2 ILE 4 -2.706 4.714 -5.961 24 HG23 ILE 4 3HG2 ILE 4 -2.894 3.040 -6.484 25 HD11 ILE 4 1HD1 ILE 4 -1.562 1.251 -3.073 26 HD12 ILE 4 2HD1 ILE 4 -1.060 0.049 -4.263 27 HD13 ILE 4 3HD1 ILE 4 0.123 1.170 -3.589 28 H ILE 5 HN ILE 5 -1.271 5.045 -1.761 29 HA ILE 5 HA ILE 5 -3.530 6.753 -1.965 30 HB ILE 5 HB ILE 5 -1.530 6.497 0.284 31 HG12 ILE 5 2HG1 ILE 5 -2.696 4.388 -0.286 32 HG13 ILE 5 3HG1 ILE 5 -3.153 4.993 1.303 33 HG21 ILE 5 1HG2 ILE 5 -2.753 8.581 0.438 34 HG22 ILE 5 2HG2 ILE 5 -4.281 7.727 0.231 35 HG23 ILE 5 3HG2 ILE 5 -3.313 7.463 1.681 36 HD11 ILE 5 1HD1 ILE 5 -5.220 5.885 0.364 37 HD12 ILE 5 2HD1 ILE 5 -4.761 5.272 -1.225 38 HD13 ILE 5 3HD1 ILE 5 -5.077 4.148 0.097 39 H AIB 6 HN AIB 6 -0.017 7.222 -1.783 40 HB11 AIB 6 1HB1 AIB 6 2.107 9.651 -3.261 41 HB12 AIB 6 2HB1 AIB 6 2.275 9.354 -1.479 42 HB13 AIB 6 3HB1 AIB 6 1.836 7.987 -2.590 43 HB21 AIB 6 1HB2 AIB 6 -1.001 10.631 -0.912 44 HB22 AIB 6 2HB2 AIB 6 0.414 9.850 -0.088 45 HB23 AIB 6 3HB2 AIB 6 0.675 11.265 -1.194 46 HA PRO 7 HA PRO 7 -0.306 10.955 -6.067 47 HB2 PRO 7 2HB PRO 7 -1.049 8.940 -7.728 48 HB3 PRO 7 3HB PRO 7 0.640 9.306 -7.357 49 HG2 PRO 7 2HG PRO 7 -1.141 7.196 -6.198 50 HG3 PRO 7 3HG PRO 7 0.555 7.075 -6.704 51 HD2 PRO 7 2HD PRO 7 -0.177 7.356 -4.112 52 HD3 PRO 7 3HD PRO 7 1.334 8.029 -4.756 53 H LEU 8 HN LEU 8 -2.436 8.951 -4.289 54 HA LEU 8 HA LEU 8 -4.787 9.654 -5.842 55 HB2 LEU 8 2HB LEU 8 -4.250 7.927 -3.465 56 HB3 LEU 8 3HB LEU 8 -5.896 8.457 -3.803 57 HG LEU 8 HG LEU 8 -4.188 6.929 -5.761 58 HD11 LEU 8 1HD1 LEU 8 -6.292 5.920 -3.853 59 HD12 LEU 8 2HD1 LEU 8 -4.569 5.550 -3.807 60 HD13 LEU 8 3HD1 LEU 8 -5.557 4.982 -5.153 61 HD21 LEU 8 1HD2 LEU 8 -7.062 7.794 -5.691 62 HD22 LEU 8 2HD2 LEU 8 -6.514 6.454 -6.699 63 HD23 LEU 8 3HD2 LEU 8 -5.855 8.072 -6.947 64 H LEU 9 HN LEU 9 -3.098 10.715 -3.011 65 HA LEU 9 HA LEU 9 -5.247 12.138 -1.803 66 HB2 LEU 9 2HB LEU 9 -3.471 11.603 -0.381 67 HB3 LEU 9 3HB LEU 9 -2.264 12.202 -1.518 68 HG LEU 9 HG LEU 9 -4.064 14.292 -0.580 69 HD11 LEU 9 1HD1 LEU 9 -2.176 13.369 1.518 70 HD12 LEU 9 2HD1 LEU 9 -3.736 12.558 1.383 71 HD13 LEU 9 3HD1 LEU 9 -3.669 14.297 1.664 72 HD21 LEU 9 1HD2 LEU 9 -2.130 14.960 -1.710 73 HD22 LEU 9 2HD2 LEU 9 -1.105 13.848 -0.803 74 HD23 LEU 9 3HD2 LEU 9 -1.770 15.278 -0.012 75 H AIB 10 HN AIB 10 -2.652 12.914 -4.099 76 HB11 AIB 10 1HB1 AIB 10 -2.711 14.851 -6.940 77 HB12 AIB 10 2HB1 AIB 10 -1.355 15.391 -5.862 78 HB13 AIB 10 3HB1 AIB 10 -1.842 13.643 -5.904 79 HB21 AIB 10 1HB2 AIB 10 -3.366 16.212 -3.078 80 HB22 AIB 10 2HB2 AIB 10 -1.672 15.947 -3.672 81 HB23 AIB 10 3HB2 AIB 10 -2.789 17.056 -4.576 82 HA PRO 11 HA PRO 11 -6.488 15.574 -7.381 83 HB2 PRO 11 2HB PRO 11 -7.730 13.199 -7.814 84 HB3 PRO 11 3HB PRO 11 -6.344 13.746 -8.765 85 HG2 PRO 11 2HG PRO 11 -6.426 11.833 -6.464 86 HG3 PRO 11 3HG PRO 11 -5.525 11.714 -7.987 87 HD2 PRO 11 2HD PRO 11 -4.372 12.510 -5.670 88 HD3 PRO 11 3HD PRO 11 -3.854 13.122 -7.254 89 HN1 DCL 12 HN DCL 12 -6.311 13.910 -4.400 90 HA DCL 12 HA DCL 12 -9.311 14.123 -3.837 91 HC1 DCL 12 2HB1 DCL 12 -7.583 15.345 -1.688 92 HC2 DCL 12 3HB1 DCL 12 -7.674 16.305 -3.225 93 HB1 DCL 12 2HB DCL 12 -6.956 12.667 -2.681 94 HB2 DCL 12 3HB DCL 12 -8.111 13.335 -1.451 95 HG DCL 12 HG DCL 12 -9.995 12.185 -2.560 96 HD11 DCL 12 1HD1 DCL 12 -7.496 10.448 -1.989 97 HD12 DCL 12 2HD1 DCL 12 -8.791 10.932 -0.813 98 HD13 DCL 12 3HD1 DCL 12 -9.173 9.775 -2.159 99 HD21 DCL 12 1HD2 DCL 12 -8.707 10.293 -4.269 100 HD22 DCL 12 2HD2 DCL 12 -9.853 11.619 -4.738 101 HD23 DCL 12 3HD2 DCL 12 -8.062 11.919 -4.748 102 HXT DCL 12 4H1 DCL 12 -9.777 16.873 -2.562 Start of MODEL 13 1 H1 ACE 1 1H1 ACE 1 1.181 -0.945 2.408 2 H2 ACE 1 2H1 ACE 1 2.415 0.110 1.677 3 H3 ACE 1 3H1 ACE 1 2.019 0.267 3.406 4 H AIB 2 HN AIB 2 1.904 1.902 0.752 5 HB11 AIB 2 1HB1 AIB 2 -1.434 4.188 1.862 6 HB12 AIB 2 2HB1 AIB 2 -0.114 3.409 2.833 7 HB13 AIB 2 3HB1 AIB 2 0.242 4.883 1.835 8 HB21 AIB 2 1HB2 AIB 2 -2.114 2.583 0.860 9 HB22 AIB 2 2HB2 AIB 2 -1.534 2.891 -0.831 10 HB23 AIB 2 3HB2 AIB 2 -1.123 1.331 0.000 11 H ASN 3 HN ASN 3 1.812 2.422 -1.068 12 HA ASN 3 HA ASN 3 2.710 4.986 -1.749 13 HB2 ASN 3 2HB ASN 3 3.121 2.263 -2.692 14 HB3 ASN 3 3HB ASN 3 3.154 3.429 -4.012 15 HD21 ASN 3 1HD2 ASN 3 5.230 3.666 -4.480 16 HD22 ASN 3 2HD2 ASN 3 6.473 4.072 -3.350 17 H ILE 4 HN ILE 4 -0.124 3.293 -2.655 18 HA ILE 4 HA ILE 4 -0.574 4.749 -5.104 19 HB ILE 4 HB ILE 4 -2.556 3.096 -3.540 20 HG12 ILE 4 2HG1 ILE 4 -1.836 1.496 -5.585 21 HG13 ILE 4 3HG1 ILE 4 -0.313 2.341 -5.329 22 HG21 ILE 4 1HG2 ILE 4 -4.003 3.749 -5.090 23 HG22 ILE 4 2HG2 ILE 4 -2.749 4.674 -5.914 24 HG23 ILE 4 3HG2 ILE 4 -2.999 2.976 -6.317 25 HD11 ILE 4 1HD1 ILE 4 0.143 1.078 -3.574 26 HD12 ILE 4 2HD1 ILE 4 -1.399 1.485 -2.819 27 HD13 ILE 4 3HD1 ILE 4 -1.296 0.128 -3.941 28 H ILE 5 HN ILE 5 -1.206 5.206 -1.756 29 HA ILE 5 HA ILE 5 -3.459 6.924 -1.980 30 HB ILE 5 HB ILE 5 -1.407 6.744 0.230 31 HG12 ILE 5 2HG1 ILE 5 -2.607 4.625 -0.221 32 HG13 ILE 5 3HG1 ILE 5 -3.018 5.302 1.351 33 HG21 ILE 5 1HG2 ILE 5 -2.401 8.563 1.038 34 HG22 ILE 5 2HG2 ILE 5 -3.662 8.504 -0.192 35 HG23 ILE 5 3HG2 ILE 5 -3.833 7.566 1.291 36 HD11 ILE 5 1HD1 ILE 5 -4.831 6.239 -0.679 37 HD12 ILE 5 2HD1 ILE 5 -4.771 4.476 -0.633 38 HD13 ILE 5 3HD1 ILE 5 -5.165 5.384 0.827 39 H AIB 6 HN AIB 6 0.064 7.367 -1.885 40 HB11 AIB 6 1HB1 AIB 6 2.389 9.509 -1.755 41 HB12 AIB 6 2HB1 AIB 6 1.905 8.073 -2.752 42 HB13 AIB 6 3HB1 AIB 6 2.161 9.685 -3.546 43 HB21 AIB 6 1HB2 AIB 6 1.023 11.266 -1.333 44 HB22 AIB 6 2HB2 AIB 6 -0.777 11.039 -1.320 45 HB23 AIB 6 3HB2 AIB 6 0.279 9.982 -0.290 46 HA PRO 7 HA PRO 7 -0.310 10.925 -6.318 47 HB2 PRO 7 2HB PRO 7 -1.127 8.854 -7.873 48 HB3 PRO 7 3HB PRO 7 0.577 9.211 -7.565 49 HG2 PRO 7 2HG PRO 7 -1.196 7.176 -6.270 50 HG3 PRO 7 3HG PRO 7 0.482 7.011 -6.819 51 HD2 PRO 7 2HD PRO 7 -0.169 7.406 -4.220 52 HD3 PRO 7 3HD PRO 7 1.331 8.032 -4.935 53 H LEU 8 HN LEU 8 -2.410 9.036 -4.390 54 HA LEU 8 HA LEU 8 -4.798 9.693 -5.904 55 HB2 LEU 8 2HB LEU 8 -4.208 8.081 -3.462 56 HB3 LEU 8 3HB LEU 8 -5.857 8.619 -3.769 57 HG LEU 8 HG LEU 8 -4.234 6.957 -5.692 58 HD11 LEU 8 1HD1 LEU 8 -5.900 5.166 -4.930 59 HD12 LEU 8 2HD1 LEU 8 -6.136 6.183 -3.509 60 HD13 LEU 8 3HD1 LEU 8 -4.538 5.533 -3.872 61 HD21 LEU 8 1HD2 LEU 8 -7.154 7.703 -5.588 62 HD22 LEU 8 2HD2 LEU 8 -6.446 6.541 -6.710 63 HD23 LEU 8 3HD2 LEU 8 -5.968 8.238 -6.778 64 H LEU 9 HN LEU 9 -3.030 10.847 -3.150 65 HA LEU 9 HA LEU 9 -5.126 12.377 -1.983 66 HB2 LEU 9 2HB LEU 9 -2.134 12.442 -1.748 67 HB3 LEU 9 3HB LEU 9 -3.158 13.604 -0.908 68 HG LEU 9 HG LEU 9 -3.279 10.612 -0.534 69 HD11 LEU 9 1HD1 LEU 9 -2.453 11.804 1.825 70 HD12 LEU 9 2HD1 LEU 9 -1.517 12.624 0.575 71 HD13 LEU 9 3HD1 LEU 9 -1.455 10.867 0.712 72 HD21 LEU 9 1HD2 LEU 9 -5.097 10.930 0.710 73 HD22 LEU 9 2HD2 LEU 9 -5.187 12.545 0.009 74 HD23 LEU 9 3HD2 LEU 9 -4.372 12.298 1.554 75 H AIB 10 HN AIB 10 -2.554 12.977 -4.353 76 HB11 AIB 10 1HB1 AIB 10 -2.579 14.911 -7.278 77 HB12 AIB 10 2HB1 AIB 10 -1.168 15.233 -6.183 78 HB13 AIB 10 3HB1 AIB 10 -1.874 13.564 -6.289 79 HB21 AIB 10 1HB2 AIB 10 -3.348 16.641 -3.790 80 HB22 AIB 10 2HB2 AIB 10 -1.721 15.845 -3.696 81 HB23 AIB 10 3HB2 AIB 10 -2.119 16.936 -5.091 82 HA PRO 11 HA PRO 11 -6.385 15.618 -7.666 83 HB2 PRO 11 2HB PRO 11 -7.705 13.266 -7.979 84 HB3 PRO 11 3HB PRO 11 -6.326 13.734 -8.981 85 HG2 PRO 11 2HG PRO 11 -6.411 11.914 -6.606 86 HG3 PRO 11 3HG PRO 11 -5.549 11.710 -8.142 87 HD2 PRO 11 2HD PRO 11 -4.320 12.559 -5.884 88 HD3 PRO 11 3HD PRO 11 -3.821 13.094 -7.501 89 HN1 DCL 12 HN DCL 12 -6.193 14.048 -4.632 90 HA DCL 12 HA DCL 12 -9.171 14.475 -4.015 91 HC1 DCL 12 2HB1 DCL 12 -7.476 15.449 -1.790 92 HC2 DCL 12 3HB1 DCL 12 -7.142 16.380 -3.312 93 HB1 DCL 12 2HB DCL 12 -6.896 12.860 -2.822 94 HB2 DCL 12 3HB DCL 12 -8.166 13.484 -1.686 95 HG DCL 12 HG DCL 12 -8.842 11.960 -4.262 96 HD11 DCL 12 1HD1 DCL 12 -10.513 13.469 -2.865 97 HD12 DCL 12 2HD1 DCL 12 -11.031 11.779 -3.277 98 HD13 DCL 12 3HD1 DCL 12 -10.408 12.158 -1.615 99 HD21 DCL 12 1HD2 DCL 12 -9.348 10.094 -2.379 100 HD22 DCL 12 2HD2 DCL 12 -7.736 10.224 -3.202 101 HD23 DCL 12 3HD2 DCL 12 -7.971 10.933 -1.547 102 HXT DCL 12 4H1 DCL 12 -9.157 17.378 -2.959 Start of MODEL 14 1 H1 ACE 1 1H1 ACE 1 0.422 0.166 0.082 2 H2 ACE 1 2H1 ACE 1 2.152 0.583 0.040 3 H3 ACE 1 3H1 ACE 1 1.278 0.567 1.590 4 H AIB 2 HN AIB 2 2.148 2.654 1.898 5 HB11 AIB 2 1HB1 AIB 2 2.676 4.479 2.788 6 HB12 AIB 2 2HB1 AIB 2 2.654 6.042 1.869 7 HB13 AIB 2 3HB1 AIB 2 1.312 5.650 3.026 8 HB21 AIB 2 1HB2 AIB 2 -0.381 5.853 1.759 9 HB22 AIB 2 2HB2 AIB 2 -0.749 4.784 0.340 10 HB23 AIB 2 3HB2 AIB 2 -0.691 4.084 2.014 11 H ASN 3 HN ASN 3 2.634 3.427 -0.744 12 HA ASN 3 HA ASN 3 3.223 5.876 -2.138 13 HB2 ASN 3 2HB ASN 3 4.104 3.084 -2.244 14 HB3 ASN 3 3HB ASN 3 3.969 3.833 -3.832 15 HD21 ASN 3 1HD2 ASN 3 6.224 3.031 -1.900 16 HD22 ASN 3 2HD2 ASN 3 7.272 4.405 -1.930 17 H ILE 4 HN ILE 4 0.750 3.518 -2.232 18 HA ILE 4 HA ILE 4 -0.017 4.095 -4.975 19 HB ILE 4 HB ILE 4 -1.374 2.373 -2.897 20 HG12 ILE 4 2HG1 ILE 4 0.337 1.617 -5.276 21 HG13 ILE 4 3HG1 ILE 4 0.844 1.542 -3.592 22 HG21 ILE 4 1HG2 ILE 4 -3.127 2.337 -4.256 23 HG22 ILE 4 2HG2 ILE 4 -2.294 3.377 -5.410 24 HG23 ILE 4 3HG2 ILE 4 -2.110 1.626 -5.509 25 HD11 ILE 4 1HD1 ILE 4 -1.558 0.083 -3.803 26 HD12 ILE 4 2HD1 ILE 4 -0.517 -0.412 -5.138 27 HD13 ILE 4 3HD1 ILE 4 0.067 -0.519 -3.478 28 H ILE 5 HN ILE 5 -1.039 4.853 -1.704 29 HA ILE 5 HA ILE 5 -3.507 6.078 -2.443 30 HB ILE 5 HB ILE 5 -1.871 6.416 0.073 31 HG12 ILE 5 2HG1 ILE 5 -4.234 4.629 -0.546 32 HG13 ILE 5 3HG1 ILE 5 -2.573 4.099 -0.304 33 HG21 ILE 5 1HG2 ILE 5 -3.958 7.234 1.072 34 HG22 ILE 5 2HG2 ILE 5 -3.406 8.270 -0.243 35 HG23 ILE 5 3HG2 ILE 5 -4.738 7.146 -0.506 36 HD11 ILE 5 1HD1 ILE 5 -4.563 5.065 1.687 37 HD12 ILE 5 2HD1 ILE 5 -3.510 3.651 1.736 38 HD13 ILE 5 3HD1 ILE 5 -2.840 5.259 2.011 39 H AIB 6 HN AIB 6 -0.170 7.137 -1.938 40 HB11 AIB 6 1HB1 AIB 6 1.790 9.815 -1.916 41 HB12 AIB 6 2HB1 AIB 6 1.625 8.102 -2.490 42 HB13 AIB 6 3HB1 AIB 6 1.651 9.463 -3.690 43 HB21 AIB 6 1HB2 AIB 6 -1.633 10.154 -1.208 44 HB22 AIB 6 2HB2 AIB 6 0.074 10.107 -0.596 45 HB23 AIB 6 3HB2 AIB 6 -0.402 11.310 -1.869 46 HA PRO 7 HA PRO 7 -0.730 10.426 -6.584 47 HB2 PRO 7 2HB PRO 7 -1.104 8.201 -8.095 48 HB3 PRO 7 3HB PRO 7 0.498 8.825 -7.683 49 HG2 PRO 7 2HG PRO 7 -1.046 6.590 -6.425 50 HG3 PRO 7 3HG PRO 7 0.676 6.664 -6.844 51 HD2 PRO 7 2HD PRO 7 -0.228 7.047 -4.320 52 HD3 PRO 7 3HD PRO 7 1.213 7.869 -4.954 53 H LEU 8 HN LEU 8 -2.666 8.293 -4.735 54 HA LEU 8 HA LEU 8 -4.994 8.467 -6.441 55 HB2 LEU 8 2HB LEU 8 -4.425 7.250 -3.765 56 HB3 LEU 8 3HB LEU 8 -6.080 7.414 -4.346 57 HG LEU 8 HG LEU 8 -3.939 5.934 -5.862 58 HD11 LEU 8 1HD1 LEU 8 -5.901 4.932 -3.814 59 HD12 LEU 8 2HD1 LEU 8 -4.146 4.767 -3.810 60 HD13 LEU 8 3HD1 LEU 8 -5.111 3.888 -4.995 61 HD21 LEU 8 1HD2 LEU 8 -6.704 5.140 -6.211 62 HD22 LEU 8 2HD2 LEU 8 -5.494 5.582 -7.416 63 HD23 LEU 8 3HD2 LEU 8 -6.445 6.837 -6.619 64 H LEU 9 HN LEU 9 -3.774 9.986 -3.521 65 HA LEU 9 HA LEU 9 -6.153 11.719 -3.466 66 HB2 LEU 9 2HB LEU 9 -4.184 11.517 -1.223 67 HB3 LEU 9 3HB LEU 9 -5.874 12.015 -1.177 68 HG LEU 9 HG LEU 9 -4.808 9.209 -1.453 69 HD11 LEU 9 1HD1 LEU 9 -4.774 10.226 0.809 70 HD12 LEU 9 2HD1 LEU 9 -5.847 8.833 0.677 71 HD13 LEU 9 3HD1 LEU 9 -6.517 10.464 0.688 72 HD21 LEU 9 1HD2 LEU 9 -7.362 10.357 -2.234 73 HD22 LEU 9 2HD2 LEU 9 -7.532 9.058 -1.053 74 HD23 LEU 9 3HD2 LEU 9 -6.685 8.764 -2.573 75 H AIB 10 HN AIB 10 -3.654 11.824 -5.165 76 HB11 AIB 10 1HB1 AIB 10 -2.260 14.415 -7.082 77 HB12 AIB 10 2HB1 AIB 10 -1.056 13.277 -6.342 78 HB13 AIB 10 3HB1 AIB 10 -2.682 12.663 -6.868 79 HB21 AIB 10 1HB2 AIB 10 -1.933 13.938 -3.011 80 HB22 AIB 10 2HB2 AIB 10 -0.790 13.207 -4.216 81 HB23 AIB 10 3HB2 AIB 10 -1.073 15.000 -4.204 82 HA PRO 11 HA PRO 11 -4.784 17.274 -6.249 83 HB2 PRO 11 2HB PRO 11 -7.291 16.557 -7.005 84 HB3 PRO 11 3HB PRO 11 -5.904 16.497 -8.099 85 HG2 PRO 11 2HG PRO 11 -7.193 14.283 -6.551 86 HG3 PRO 11 3HG PRO 11 -6.619 14.288 -8.229 87 HD2 PRO 11 2HD PRO 11 -5.191 13.196 -6.204 88 HD3 PRO 11 3HD PRO 11 -4.423 13.959 -7.611 89 HN1 DCL 12 HN DCL 12 -6.314 14.651 -4.437 90 HA DCL 12 HA DCL 12 -8.119 16.511 -2.872 91 HC1 DCL 12 2HB1 DCL 12 -5.710 15.119 -1.497 92 HC2 DCL 12 3HB1 DCL 12 -5.881 16.904 -1.774 93 HB1 DCL 12 2HB DCL 12 -7.928 13.668 -3.381 94 HB2 DCL 12 3HB DCL 12 -7.775 13.917 -1.590 95 HG DCL 12 HG DCL 12 -10.133 13.603 -2.211 96 HD11 DCL 12 1HD1 DCL 12 -9.634 14.643 -4.609 97 HD12 DCL 12 2HD1 DCL 12 -11.259 14.937 -3.855 98 HD13 DCL 12 3HD1 DCL 12 -9.987 16.232 -3.806 99 HD21 DCL 12 1HD2 DCL 12 -9.715 16.592 -1.634 100 HD22 DCL 12 2HD2 DCL 12 -11.099 15.531 -1.133 101 HD23 DCL 12 3HD2 DCL 12 -9.456 15.288 -0.399 102 HXT DCL 12 4H1 DCL 12 -7.141 16.921 0.121 Start of MODEL 15 1 H1 ACE 1 1H1 ACE 1 2.024 0.375 0.132 2 H2 ACE 1 2H1 ACE 1 0.756 0.242 1.374 3 H3 ACE 1 3H1 ACE 1 0.347 0.016 -0.344 4 H AIB 2 HN AIB 2 2.037 2.328 1.782 5 HB11 AIB 2 1HB1 AIB 2 1.387 5.445 2.955 6 HB12 AIB 2 2HB1 AIB 2 2.562 4.070 2.820 7 HB13 AIB 2 3HB1 AIB 2 2.818 5.582 1.849 8 HB21 AIB 2 1HB2 AIB 2 -0.322 5.659 1.792 9 HB22 AIB 2 2HB2 AIB 2 -0.764 4.659 0.344 10 HB23 AIB 2 3HB2 AIB 2 -0.720 3.900 1.992 11 H ASN 3 HN ASN 3 2.532 3.171 -0.837 12 HA ASN 3 HA ASN 3 3.230 5.636 -2.150 13 HB2 ASN 3 2HB ASN 3 3.691 2.729 -2.812 14 HB3 ASN 3 3HB ASN 3 4.177 4.029 -3.897 15 HD21 ASN 3 1HD2 ASN 3 5.687 2.005 -2.288 16 HD22 ASN 3 2HD2 ASN 3 6.845 2.930 -1.402 17 H ILE 4 HN ILE 4 0.638 3.411 -2.295 18 HA ILE 4 HA ILE 4 -0.132 4.128 -5.004 19 HB ILE 4 HB ILE 4 -1.553 2.405 -2.971 20 HG12 ILE 4 2HG1 ILE 4 0.098 1.649 -5.392 21 HG13 ILE 4 3HG1 ILE 4 0.607 1.480 -3.715 22 HG21 ILE 4 1HG2 ILE 4 -3.318 2.490 -4.311 23 HG22 ILE 4 2HG2 ILE 4 -2.454 3.550 -5.423 24 HG23 ILE 4 3HG2 ILE 4 -2.345 1.799 -5.609 25 HD11 ILE 4 1HD1 ILE 4 -1.613 0.060 -3.564 26 HD12 ILE 4 2HD1 ILE 4 -1.308 -0.135 -5.291 27 HD13 ILE 4 3HD1 ILE 4 -0.091 -0.638 -4.119 28 H ILE 5 HN ILE 5 -1.086 4.805 -1.693 29 HA ILE 5 HA ILE 5 -3.491 6.185 -2.354 30 HB ILE 5 HB ILE 5 -1.809 6.351 0.150 31 HG12 ILE 5 2HG1 ILE 5 -2.641 4.085 -0.318 32 HG13 ILE 5 3HG1 ILE 5 -3.438 4.778 1.090 33 HG21 ILE 5 1HG2 ILE 5 -3.134 8.041 0.724 34 HG22 ILE 5 2HG2 ILE 5 -4.134 7.821 -0.711 35 HG23 ILE 5 3HG2 ILE 5 -4.475 6.896 0.751 36 HD11 ILE 5 1HD1 ILE 5 -5.038 3.607 -0.269 37 HD12 ILE 5 2HD1 ILE 5 -5.373 5.338 -0.324 38 HD13 ILE 5 3HD1 ILE 5 -4.576 4.550 -1.685 39 H AIB 6 HN AIB 6 -0.098 7.053 -1.864 40 HB11 AIB 6 1HB1 AIB 6 1.829 9.429 -3.525 41 HB12 AIB 6 2HB1 AIB 6 1.994 9.550 -1.722 42 HB13 AIB 6 3HB1 AIB 6 1.727 7.933 -2.503 43 HB21 AIB 6 1HB2 AIB 6 0.109 9.806 -0.344 44 HB22 AIB 6 2HB2 AIB 6 0.131 11.178 -1.531 45 HB23 AIB 6 3HB2 AIB 6 -1.422 10.307 -1.178 46 HA PRO 7 HA PRO 7 -0.553 10.543 -6.375 47 HB2 PRO 7 2HB PRO 7 -1.051 8.399 -7.965 48 HB3 PRO 7 3HB PRO 7 0.584 8.931 -7.553 49 HG2 PRO 7 2HG PRO 7 -1.047 6.722 -6.360 50 HG3 PRO 7 3HG PRO 7 0.671 6.733 -6.800 51 HD2 PRO 7 2HD PRO 7 -0.181 7.058 -4.251 52 HD3 PRO 7 3HD PRO 7 1.288 7.837 -4.873 53 H LEU 8 HN LEU 8 -2.549 8.055 -4.915 54 HA LEU 8 HA LEU 8 -4.878 8.545 -6.473 55 HB2 LEU 8 2HB LEU 8 -4.382 7.180 -3.847 56 HB3 LEU 8 3HB LEU 8 -6.010 7.378 -4.492 57 HG LEU 8 HG LEU 8 -3.826 5.983 -6.020 58 HD11 LEU 8 1HD1 LEU 8 -4.663 3.883 -5.208 59 HD12 LEU 8 2HD1 LEU 8 -5.897 4.698 -4.248 60 HD13 LEU 8 3HD1 LEU 8 -4.193 4.881 -3.831 61 HD21 LEU 8 1HD2 LEU 8 -5.357 5.841 -7.616 62 HD22 LEU 8 2HD2 LEU 8 -6.462 6.802 -6.633 63 HD23 LEU 8 3HD2 LEU 8 -6.469 5.042 -6.505 64 H LEU 9 HN LEU 9 -3.481 10.040 -3.678 65 HA LEU 9 HA LEU 9 -5.902 11.678 -3.326 66 HB2 LEU 9 2HB LEU 9 -5.121 10.374 -1.358 67 HB3 LEU 9 3HB LEU 9 -3.619 11.294 -1.397 68 HG LEU 9 HG LEU 9 -5.764 13.149 -1.305 69 HD11 LEU 9 1HD1 LEU 9 -7.060 11.191 -0.440 70 HD12 LEU 9 2HD1 LEU 9 -6.936 12.549 0.677 71 HD13 LEU 9 3HD1 LEU 9 -5.930 11.120 0.913 72 HD21 LEU 9 1HD2 LEU 9 -3.783 13.857 -0.384 73 HD22 LEU 9 2HD2 LEU 9 -3.480 12.318 0.423 74 HD23 LEU 9 3HD2 LEU 9 -4.689 13.429 1.068 75 H AIB 10 HN AIB 10 -3.644 11.869 -5.329 76 HB11 AIB 10 1HB1 AIB 10 -2.804 12.661 -7.101 77 HB12 AIB 10 2HB1 AIB 10 -2.569 14.430 -7.429 78 HB13 AIB 10 3HB1 AIB 10 -1.202 13.441 -6.759 79 HB21 AIB 10 1HB2 AIB 10 -0.931 13.265 -4.367 80 HB22 AIB 10 2HB2 AIB 10 -0.930 14.996 -4.910 81 HB23 AIB 10 3HB2 AIB 10 -1.876 14.505 -3.441 82 HA PRO 11 HA PRO 11 -5.145 17.187 -6.463 83 HB2 PRO 11 2HB PRO 11 -7.661 16.303 -6.974 84 HB3 PRO 11 3HB PRO 11 -6.371 16.281 -8.182 85 HG2 PRO 11 2HG PRO 11 -7.389 14.056 -6.459 86 HG3 PRO 11 3HG PRO 11 -6.961 14.032 -8.179 87 HD2 PRO 11 2HD PRO 11 -5.304 13.097 -6.253 88 HD3 PRO 11 3HD PRO 11 -4.705 13.850 -7.745 89 HN1 DCL 12 HN DCL 12 -6.653 14.544 -4.599 90 HA DCL 12 HA DCL 12 -8.351 16.335 -2.916 91 HC1 DCL 12 2HB1 DCL 12 -5.681 15.283 -1.734 92 HC2 DCL 12 3HB1 DCL 12 -6.174 17.018 -1.939 93 HB1 DCL 12 2HB DCL 12 -7.826 13.458 -3.226 94 HB2 DCL 12 3HB DCL 12 -7.809 13.919 -1.471 95 HG DCL 12 HG DCL 12 -10.022 15.128 -3.092 96 HD11 DCL 12 1HD1 DCL 12 -10.184 13.401 -0.549 97 HD12 DCL 12 2HD1 DCL 12 -9.517 15.088 -0.482 98 HD13 DCL 12 3HD1 DCL 12 -11.223 14.806 -1.039 99 HD21 DCL 12 1HD2 DCL 12 -11.317 12.834 -2.684 100 HD22 DCL 12 2HD2 DCL 12 -10.340 13.092 -4.191 101 HD23 DCL 12 3HD2 DCL 12 -9.655 12.118 -2.820 102 HXT DCL 12 4H1 DCL 12 -7.230 16.793 0.065 Start of MODEL 16 1 H1 ACE 1 1H1 ACE 1 -1.417 0.573 0.305 2 H2 ACE 1 2H1 ACE 1 0.043 -0.246 0.909 3 H3 ACE 1 3H1 ACE 1 -1.356 -0.014 1.984 4 H AIB 2 HN AIB 2 0.306 2.079 -0.361 5 HB11 AIB 2 1HB1 AIB 2 2.703 2.806 1.584 6 HB12 AIB 2 2HB1 AIB 2 2.688 4.597 1.875 7 HB13 AIB 2 3HB1 AIB 2 1.654 3.503 2.890 8 HB21 AIB 2 1HB2 AIB 2 -1.072 4.675 0.862 9 HB22 AIB 2 2HB2 AIB 2 -0.343 4.472 2.510 10 HB23 AIB 2 3HB2 AIB 2 0.230 5.807 1.422 11 H ASN 3 HN ASN 3 1.869 2.658 -1.260 12 HA ASN 3 HA ASN 3 3.027 5.041 -2.385 13 HB2 ASN 3 2HB ASN 3 2.825 2.186 -3.337 14 HB3 ASN 3 3HB ASN 3 3.538 3.459 -4.324 15 HD21 ASN 3 1HD2 ASN 3 4.836 1.119 -3.341 16 HD22 ASN 3 2HD2 ASN 3 6.123 1.639 -2.312 17 H ILE 4 HN ILE 4 0.014 3.437 -2.569 18 HA ILE 4 HA ILE 4 -0.693 4.591 -5.144 19 HB ILE 4 HB ILE 4 -2.357 2.953 -3.229 20 HG12 ILE 4 2HG1 ILE 4 -0.971 2.176 -5.804 21 HG13 ILE 4 3HG1 ILE 4 -0.456 1.713 -4.186 22 HG21 ILE 4 1HG2 ILE 4 -3.337 2.830 -5.874 23 HG22 ILE 4 2HG2 ILE 4 -4.115 3.524 -4.453 24 HG23 ILE 4 3HG2 ILE 4 -3.099 4.533 -5.482 25 HD11 ILE 4 1HD1 ILE 4 -2.721 0.716 -5.818 26 HD12 ILE 4 2HD1 ILE 4 -1.580 -0.162 -4.799 27 HD13 ILE 4 3HD1 ILE 4 -2.902 0.745 -4.064 28 H ILE 5 HN ILE 5 -1.367 5.043 -1.727 29 HA ILE 5 HA ILE 5 -3.466 6.938 -2.090 30 HB ILE 5 HB ILE 5 -1.702 6.487 0.320 31 HG12 ILE 5 2HG1 ILE 5 -4.435 5.386 -0.372 32 HG13 ILE 5 3HG1 ILE 5 -2.932 4.470 -0.335 33 HG21 ILE 5 1HG2 ILE 5 -4.304 7.439 0.966 34 HG22 ILE 5 2HG2 ILE 5 -2.742 8.193 1.280 35 HG23 ILE 5 3HG2 ILE 5 -3.590 8.519 -0.231 36 HD11 ILE 5 1HD1 ILE 5 -3.288 4.012 1.793 37 HD12 ILE 5 2HD1 ILE 5 -3.213 5.733 2.174 38 HD13 ILE 5 3HD1 ILE 5 -4.759 4.985 1.771 39 H AIB 6 HN AIB 6 0.047 7.050 -1.720 40 HB11 AIB 6 1HB1 AIB 6 2.325 9.061 -3.249 41 HB12 AIB 6 2HB1 AIB 6 2.625 9.173 -1.463 42 HB13 AIB 6 3HB1 AIB 6 2.016 7.624 -2.186 43 HB21 AIB 6 1HB2 AIB 6 0.747 9.497 0.106 44 HB22 AIB 6 2HB2 AIB 6 1.174 10.941 -0.906 45 HB23 AIB 6 3HB2 AIB 6 -0.566 10.480 -0.668 46 HA PRO 7 HA PRO 7 0.196 11.049 -5.793 47 HB2 PRO 7 2HB PRO 7 -0.756 9.237 -7.576 48 HB3 PRO 7 3HB PRO 7 0.961 9.388 -7.184 49 HG2 PRO 7 2HG PRO 7 -1.051 7.422 -6.159 50 HG3 PRO 7 3HG PRO 7 0.624 7.145 -6.672 51 HD2 PRO 7 2HD PRO 7 -0.087 7.342 -4.067 52 HD3 PRO 7 3HD PRO 7 1.493 7.883 -4.669 53 H LEU 8 HN LEU 8 -2.264 8.653 -4.882 54 HA LEU 8 HA LEU 8 -4.439 9.939 -6.137 55 HB2 LEU 8 2HB LEU 8 -4.285 7.998 -3.845 56 HB3 LEU 8 3HB LEU 8 -5.812 8.579 -4.506 57 HG LEU 8 HG LEU 8 -3.732 7.041 -6.060 58 HD11 LEU 8 1HD1 LEU 8 -5.227 5.153 -5.899 59 HD12 LEU 8 2HD1 LEU 8 -6.371 6.100 -4.949 60 HD13 LEU 8 3HD1 LEU 8 -4.789 5.701 -4.281 61 HD21 LEU 8 1HD2 LEU 8 -5.751 6.764 -7.606 62 HD22 LEU 8 2HD2 LEU 8 -4.933 8.327 -7.602 63 HD23 LEU 8 3HD2 LEU 8 -6.451 8.124 -6.726 64 H LEU 9 HN LEU 9 -2.650 10.752 -3.379 65 HA LEU 9 HA LEU 9 -4.688 12.010 -1.846 66 HB2 LEU 9 2HB LEU 9 -2.560 11.305 -0.878 67 HB3 LEU 9 3HB LEU 9 -1.709 12.477 -1.882 68 HG LEU 9 HG LEU 9 -2.133 13.027 0.602 69 HD11 LEU 9 1HD1 LEU 9 -1.504 14.544 -1.463 70 HD12 LEU 9 2HD1 LEU 9 -1.876 15.239 0.114 71 HD13 LEU 9 3HD1 LEU 9 -3.103 15.219 -1.152 72 HD21 LEU 9 1HD2 LEU 9 -4.744 14.094 -0.367 73 HD22 LEU 9 2HD2 LEU 9 -4.206 13.752 1.278 74 HD23 LEU 9 3HD2 LEU 9 -4.649 12.426 0.201 75 H AIB 10 HN AIB 10 -2.381 13.044 -4.341 76 HB11 AIB 10 1HB1 AIB 10 -2.757 15.271 -6.997 77 HB12 AIB 10 2HB1 AIB 10 -1.296 15.623 -5.981 78 HB13 AIB 10 3HB1 AIB 10 -1.855 13.911 -6.206 79 HB21 AIB 10 1HB2 AIB 10 -1.546 15.969 -3.591 80 HB22 AIB 10 2HB2 AIB 10 -2.494 17.166 -4.571 81 HB23 AIB 10 3HB2 AIB 10 -3.249 16.380 -3.119 82 HA PRO 11 HA PRO 11 -6.611 15.760 -7.032 83 HB2 PRO 11 2HB PRO 11 -7.797 13.369 -7.525 84 HB3 PRO 11 3HB PRO 11 -6.533 14.045 -8.559 85 HG2 PRO 11 2HG PRO 11 -6.317 11.969 -6.412 86 HG3 PRO 11 3HG PRO 11 -5.565 12.001 -8.018 87 HD2 PRO 11 2HD PRO 11 -4.222 12.680 -5.767 88 HD3 PRO 11 3HD PRO 11 -3.885 13.427 -7.342 89 HN1 DCL 12 HN DCL 12 -6.542 13.059 -4.699 90 HA DCL 12 HA DCL 12 -9.125 14.177 -3.421 91 HC1 DCL 12 2HB1 DCL 12 -6.667 12.963 -1.966 92 HC2 DCL 12 3HB1 DCL 12 -7.075 14.730 -2.038 93 HB1 DCL 12 2HB DCL 12 -8.745 11.642 -4.433 94 HB2 DCL 12 3HB DCL 12 -8.178 11.399 -2.726 95 HG DCL 12 HG DCL 12 -10.572 12.952 -2.555 96 HD11 DCL 12 1HD1 DCL 12 -11.390 10.468 -1.801 97 HD12 DCL 12 2HD1 DCL 12 -9.618 10.109 -1.967 98 HD13 DCL 12 3HD1 DCL 12 -10.181 11.401 -0.821 99 HD21 DCL 12 1HD2 DCL 12 -10.639 10.920 -4.793 100 HD22 DCL 12 2HD2 DCL 12 -12.047 10.950 -3.649 101 HD23 DCL 12 3HD2 DCL 12 -11.588 12.449 -4.565 102 HXT DCL 12 4H1 DCL 12 -8.506 14.310 -0.318 Start of MODEL 17 1 H1 ACE 1 1H1 ACE 1 -3.810 1.382 1.445 2 H2 ACE 1 2H1 ACE 1 -3.351 2.242 -0.044 3 H3 ACE 1 3H1 ACE 1 -2.904 0.532 0.171 4 H AIB 2 HN AIB 2 -1.307 2.897 -0.444 5 HB11 AIB 2 1HB1 AIB 2 0.963 1.107 0.736 6 HB12 AIB 2 2HB1 AIB 2 2.316 2.242 1.152 7 HB13 AIB 2 3HB1 AIB 2 1.131 1.735 2.430 8 HB21 AIB 2 1HB2 AIB 2 1.107 4.575 2.485 9 HB22 AIB 2 2HB2 AIB 2 -0.643 4.784 2.055 10 HB23 AIB 2 3HB2 AIB 2 -0.125 3.397 3.104 11 H ASN 3 HN ASN 3 1.830 2.420 -1.019 12 HA ASN 3 HA ASN 3 2.923 4.992 -1.609 13 HB2 ASN 3 2HB ASN 3 3.139 2.253 -2.744 14 HB3 ASN 3 3HB ASN 3 3.538 3.594 -3.814 15 HD21 ASN 3 1HD2 ASN 3 5.531 4.343 -3.738 16 HD22 ASN 3 2HD2 ASN 3 6.667 4.072 -2.465 17 H ILE 4 HN ILE 4 0.140 3.215 -2.644 18 HA ILE 4 HA ILE 4 -0.294 4.714 -5.055 19 HB ILE 4 HB ILE 4 -2.232 2.982 -3.516 20 HG12 ILE 4 2HG1 ILE 4 -1.207 1.900 -6.005 21 HG13 ILE 4 3HG1 ILE 4 0.097 2.235 -4.871 22 HG21 ILE 4 1HG2 ILE 4 -2.510 4.646 -5.863 23 HG22 ILE 4 2HG2 ILE 4 -2.878 2.958 -6.216 24 HG23 ILE 4 3HG2 ILE 4 -3.743 3.799 -4.930 25 HD11 ILE 4 1HD1 ILE 4 -2.257 0.827 -3.789 26 HD12 ILE 4 2HD1 ILE 4 -1.243 -0.066 -4.922 27 HD13 ILE 4 3HD1 ILE 4 -0.541 0.606 -3.451 28 H ILE 5 HN ILE 5 -0.996 5.150 -1.718 29 HA ILE 5 HA ILE 5 -3.234 6.898 -2.028 30 HB ILE 5 HB ILE 5 -1.346 6.596 0.312 31 HG12 ILE 5 2HG1 ILE 5 -4.047 5.347 -0.241 32 HG13 ILE 5 3HG1 ILE 5 -2.500 4.507 -0.244 33 HG21 ILE 5 1HG2 ILE 5 -4.068 7.883 0.143 34 HG22 ILE 5 2HG2 ILE 5 -3.144 7.629 1.622 35 HG23 ILE 5 3HG2 ILE 5 -2.532 8.716 0.377 36 HD11 ILE 5 1HD1 ILE 5 -4.220 5.283 1.986 37 HD12 ILE 5 2HD1 ILE 5 -3.035 3.982 1.857 38 HD13 ILE 5 3HD1 ILE 5 -2.507 5.623 2.232 39 H AIB 6 HN AIB 6 0.280 7.228 -1.794 40 HB11 AIB 6 1HB1 AIB 6 2.476 9.574 -3.290 41 HB12 AIB 6 2HB1 AIB 6 2.683 9.255 -1.516 42 HB13 AIB 6 3HB1 AIB 6 2.150 7.919 -2.623 43 HB21 AIB 6 1HB2 AIB 6 1.002 11.297 -1.205 44 HB22 AIB 6 2HB2 AIB 6 -0.531 10.474 -0.690 45 HB23 AIB 6 3HB2 AIB 6 1.073 9.856 -0.106 46 HA PRO 7 HA PRO 7 0.066 11.085 -5.985 47 HB2 PRO 7 2HB PRO 7 -0.848 9.164 -7.670 48 HB3 PRO 7 3HB PRO 7 0.871 9.417 -7.343 49 HG2 PRO 7 2HG PRO 7 -1.000 7.389 -6.182 50 HG3 PRO 7 3HG PRO 7 0.669 7.179 -6.743 51 HD2 PRO 7 2HD PRO 7 0.034 7.434 -4.123 52 HD3 PRO 7 3HD PRO 7 1.563 8.033 -4.798 53 H LEU 8 HN LEU 8 -2.234 8.600 -4.909 54 HA LEU 8 HA LEU 8 -4.512 9.739 -6.130 55 HB2 LEU 8 2HB LEU 8 -4.152 7.841 -3.829 56 HB3 LEU 8 3HB LEU 8 -5.745 8.363 -4.373 57 HG LEU 8 HG LEU 8 -3.723 6.810 -5.987 58 HD11 LEU 8 1HD1 LEU 8 -6.408 6.003 -4.879 59 HD12 LEU 8 2HD1 LEU 8 -4.843 5.509 -4.234 60 HD13 LEU 8 3HD1 LEU 8 -5.330 5.000 -5.851 61 HD21 LEU 8 1HD2 LEU 8 -4.762 7.763 -7.729 62 HD22 LEU 8 2HD2 LEU 8 -6.104 8.340 -6.740 63 HD23 LEU 8 3HD2 LEU 8 -6.092 6.676 -7.327 64 H LEU 9 HN LEU 9 -2.680 10.714 -3.455 65 HA LEU 9 HA LEU 9 -4.730 11.905 -1.884 66 HB2 LEU 9 2HB LEU 9 -2.543 11.338 -0.967 67 HB3 LEU 9 3HB LEU 9 -1.781 12.516 -2.034 68 HG LEU 9 HG LEU 9 -3.817 13.756 -0.400 69 HD11 LEU 9 1HD1 LEU 9 -3.479 12.292 1.349 70 HD12 LEU 9 2HD1 LEU 9 -2.287 13.546 1.688 71 HD13 LEU 9 3HD1 LEU 9 -1.783 12.030 0.943 72 HD21 LEU 9 1HD2 LEU 9 -0.873 14.259 -0.243 73 HD22 LEU 9 2HD2 LEU 9 -2.212 15.403 -0.146 74 HD23 LEU 9 3HD2 LEU 9 -1.773 14.688 -1.698 75 H AIB 10 HN AIB 10 -2.560 12.992 -4.478 76 HB11 AIB 10 1HB1 AIB 10 -3.112 15.204 -7.165 77 HB12 AIB 10 2HB1 AIB 10 -1.624 15.524 -6.178 78 HB13 AIB 10 3HB1 AIB 10 -2.203 13.821 -6.422 79 HB21 AIB 10 1HB2 AIB 10 -2.874 17.090 -4.812 80 HB22 AIB 10 2HB2 AIB 10 -3.586 16.329 -3.327 81 HB23 AIB 10 3HB2 AIB 10 -1.873 15.964 -3.802 82 HA PRO 11 HA PRO 11 -7.009 15.409 -7.099 83 HB2 PRO 11 2HB PRO 11 -8.080 12.946 -7.496 84 HB3 PRO 11 3HB PRO 11 -6.885 13.661 -8.585 85 HG2 PRO 11 2HG PRO 11 -6.493 11.657 -6.396 86 HG3 PRO 11 3HG PRO 11 -5.792 11.686 -8.025 87 HD2 PRO 11 2HD PRO 11 -4.421 12.494 -5.834 88 HD3 PRO 11 3HD PRO 11 -4.172 13.216 -7.437 89 HN1 DCL 12 HN DCL 12 -6.668 12.846 -4.649 90 HA DCL 12 HA DCL 12 -9.334 13.762 -3.384 91 HC1 DCL 12 2HB1 DCL 12 -6.859 12.873 -1.760 92 HC2 DCL 12 3HB1 DCL 12 -7.152 14.609 -2.199 93 HB1 DCL 12 2HB DCL 12 -8.281 11.144 -4.038 94 HB2 DCL 12 3HB DCL 12 -8.318 11.288 -2.229 95 HG DCL 12 HG DCL 12 -10.436 10.353 -3.051 96 HD11 DCL 12 1HD1 DCL 12 -11.369 12.876 -4.374 97 HD12 DCL 12 2HD1 DCL 12 -9.997 12.072 -5.250 98 HD13 DCL 12 3HD1 DCL 12 -11.529 11.154 -4.922 99 HD21 DCL 12 1HD2 DCL 12 -10.299 12.190 -1.155 100 HD22 DCL 12 2HD2 DCL 12 -11.131 13.247 -2.373 101 HD23 DCL 12 3HD2 DCL 12 -11.915 11.705 -1.822 102 HXT DCL 12 4H1 DCL 12 -8.649 14.629 -0.483 Start of MODEL 18 1 H1 ACE 1 1H1 ACE 1 2.914 1.725 3.211 2 H2 ACE 1 2H1 ACE 1 1.848 2.000 4.610 3 H3 ACE 1 3H1 ACE 1 1.957 0.381 3.880 4 H AIB 2 HN AIB 2 2.208 2.863 1.624 5 HB11 AIB 2 1HB1 AIB 2 -1.746 3.167 1.618 6 HB12 AIB 2 2HB1 AIB 2 -0.485 4.286 2.289 7 HB13 AIB 2 3HB1 AIB 2 -1.240 4.631 0.675 8 HB21 AIB 2 1HB2 AIB 2 -0.788 2.045 -1.001 9 HB22 AIB 2 2HB2 AIB 2 0.329 0.971 -0.059 10 HB23 AIB 2 3HB2 AIB 2 -1.286 1.428 0.630 11 H ASN 3 HN ASN 3 1.495 2.305 -1.476 12 HA ASN 3 HA ASN 3 2.631 4.906 -1.969 13 HB2 ASN 3 2HB ASN 3 2.855 2.201 -3.217 14 HB3 ASN 3 3HB ASN 3 3.335 3.604 -4.167 15 HD21 ASN 3 1HD2 ASN 3 3.854 1.987 -1.076 16 HD22 ASN 3 2HD2 ASN 3 5.493 2.497 -0.882 17 H ILE 4 HN ILE 4 -0.203 3.225 -2.889 18 HA ILE 4 HA ILE 4 -0.636 4.667 -5.348 19 HB ILE 4 HB ILE 4 -2.644 3.058 -3.771 20 HG12 ILE 4 2HG1 ILE 4 -1.915 1.440 -5.818 21 HG13 ILE 4 3HG1 ILE 4 -0.383 2.247 -5.500 22 HG21 ILE 4 1HG2 ILE 4 -2.988 2.970 -6.601 23 HG22 ILE 4 2HG2 ILE 4 -4.085 3.593 -5.369 24 HG23 ILE 4 3HG2 ILE 4 -2.873 4.653 -6.087 25 HD11 ILE 4 1HD1 ILE 4 -0.035 1.038 -3.676 26 HD12 ILE 4 2HD1 ILE 4 -1.659 1.354 -3.063 27 HD13 ILE 4 3HD1 ILE 4 -1.385 0.032 -4.199 28 H ILE 5 HN ILE 5 -1.428 5.056 -1.990 29 HA ILE 5 HA ILE 5 -3.557 6.919 -2.348 30 HB ILE 5 HB ILE 5 -1.789 6.442 0.053 31 HG12 ILE 5 2HG1 ILE 5 -3.085 4.467 -0.611 32 HG13 ILE 5 3HG1 ILE 5 -3.690 5.136 0.901 33 HG21 ILE 5 1HG2 ILE 5 -2.687 8.333 0.824 34 HG22 ILE 5 2HG2 ILE 5 -3.868 8.403 -0.483 35 HG23 ILE 5 3HG2 ILE 5 -4.196 7.430 0.950 36 HD11 ILE 5 1HD1 ILE 5 -5.714 5.238 0.030 37 HD12 ILE 5 2HD1 ILE 5 -5.129 6.344 -1.213 38 HD13 ILE 5 3HD1 ILE 5 -5.099 4.603 -1.496 39 H AIB 6 HN AIB 6 -0.046 7.080 -1.997 40 HB11 AIB 6 1HB1 AIB 6 2.226 9.228 -3.480 41 HB12 AIB 6 2HB1 AIB 6 2.486 9.143 -1.686 42 HB13 AIB 6 3HB1 AIB 6 1.892 7.684 -2.589 43 HB21 AIB 6 1HB2 AIB 6 1.130 10.899 -1.100 44 HB22 AIB 6 2HB2 AIB 6 -0.655 10.602 -0.983 45 HB23 AIB 6 3HB2 AIB 6 0.507 9.489 -0.143 46 HA PRO 7 HA PRO 7 0.009 11.118 -6.035 47 HB2 PRO 7 2HB PRO 7 -0.935 9.309 -7.827 48 HB3 PRO 7 3HB PRO 7 0.784 9.481 -7.449 49 HG2 PRO 7 2HG PRO 7 -1.190 7.477 -6.424 50 HG3 PRO 7 3HG PRO 7 0.483 7.228 -6.955 51 HD2 PRO 7 2HD PRO 7 -0.206 7.392 -4.342 52 HD3 PRO 7 3HD PRO 7 1.361 7.960 -4.953 53 H LEU 8 HN LEU 8 -2.408 8.684 -5.112 54 HA LEU 8 HA LEU 8 -4.613 9.945 -6.340 55 HB2 LEU 8 2HB LEU 8 -4.431 8.013 -4.039 56 HB3 LEU 8 3HB LEU 8 -5.958 8.552 -4.734 57 HG LEU 8 HG LEU 8 -3.825 7.099 -6.293 58 HD11 LEU 8 1HD1 LEU 8 -5.244 5.121 -6.078 59 HD12 LEU 8 2HD1 LEU 8 -6.316 6.006 -4.993 60 HD13 LEU 8 3HD1 LEU 8 -4.655 5.667 -4.507 61 HD21 LEU 8 1HD2 LEU 8 -6.165 6.650 -7.553 62 HD22 LEU 8 2HD2 LEU 8 -5.070 7.973 -7.956 63 HD23 LEU 8 3HD2 LEU 8 -6.460 8.265 -6.909 64 H LEU 9 HN LEU 9 -2.809 10.765 -3.592 65 HA LEU 9 HA LEU 9 -4.850 11.992 -2.037 66 HB2 LEU 9 2HB LEU 9 -2.717 11.311 -1.077 67 HB3 LEU 9 3HB LEU 9 -1.875 12.477 -2.096 68 HG LEU 9 HG LEU 9 -3.355 14.225 -0.856 69 HD11 LEU 9 1HD1 LEU 9 -4.229 13.670 1.202 70 HD12 LEU 9 2HD1 LEU 9 -3.229 12.227 1.358 71 HD13 LEU 9 3HD1 LEU 9 -4.603 12.231 0.254 72 HD21 LEU 9 1HD2 LEU 9 -0.786 13.503 -0.658 73 HD22 LEU 9 2HD2 LEU 9 -1.322 13.101 0.974 74 HD23 LEU 9 3HD2 LEU 9 -1.517 14.744 0.360 75 H AIB 10 HN AIB 10 -2.576 13.064 -4.546 76 HB11 AIB 10 1HB1 AIB 10 -2.964 15.408 -7.169 77 HB12 AIB 10 2HB1 AIB 10 -1.481 15.572 -6.136 78 HB13 AIB 10 3HB1 AIB 10 -2.173 13.929 -6.477 79 HB21 AIB 10 1HB2 AIB 10 -3.512 16.443 -3.347 80 HB22 AIB 10 2HB2 AIB 10 -1.804 15.958 -3.720 81 HB23 AIB 10 3HB2 AIB 10 -2.657 17.165 -4.775 82 HA PRO 11 HA PRO 11 -6.862 15.749 -7.181 83 HB2 PRO 11 2HB PRO 11 -8.028 13.348 -7.675 84 HB3 PRO 11 3HB PRO 11 -6.781 14.043 -8.718 85 HG2 PRO 11 2HG PRO 11 -6.521 11.959 -6.585 86 HG3 PRO 11 3HG PRO 11 -5.786 12.007 -8.198 87 HD2 PRO 11 2HD PRO 11 -4.428 12.688 -5.956 88 HD3 PRO 11 3HD PRO 11 -4.115 13.447 -7.530 89 HN1 DCL 12 HN DCL 12 -6.346 13.683 -4.454 90 HA DCL 12 HA DCL 12 -9.260 13.983 -3.517 91 HC1 DCL 12 2HB1 DCL 12 -7.353 14.429 -1.295 92 HC2 DCL 12 3HB1 DCL 12 -7.114 15.659 -2.608 93 HB1 DCL 12 2HB DCL 12 -7.875 11.731 -3.491 94 HB2 DCL 12 3HB DCL 12 -7.055 12.451 -2.041 95 HG DCL 12 HG DCL 12 -9.520 12.898 -1.200 96 HD11 DCL 12 1HD1 DCL 12 -9.440 10.768 -0.015 97 HD12 DCL 12 2HD1 DCL 12 -8.558 9.966 -1.383 98 HD13 DCL 12 3HD1 DCL 12 -7.714 11.210 -0.364 99 HD21 DCL 12 1HD2 DCL 12 -9.986 11.359 -3.665 100 HD22 DCL 12 2HD2 DCL 12 -10.631 10.484 -2.211 101 HD23 DCL 12 3HD2 DCL 12 -11.170 12.182 -2.564 102 HXT DCL 12 4H1 DCL 12 -9.056 16.591 -1.874 Start of MODEL 19 1 H1 ACE 1 1H1 ACE 1 -1.874 -0.364 0.981 2 H2 ACE 1 2H1 ACE 1 -0.522 -0.232 -0.170 3 H3 ACE 1 3H1 ACE 1 -0.301 -1.105 1.366 4 H AIB 2 HN AIB 2 0.292 1.649 -0.316 5 HB11 AIB 2 1HB1 AIB 2 1.300 2.664 3.193 6 HB12 AIB 2 2HB1 AIB 2 2.493 2.235 1.895 7 HB13 AIB 2 3HB1 AIB 2 2.323 3.959 2.439 8 HB21 AIB 2 1HB2 AIB 2 -0.122 4.501 2.747 9 HB22 AIB 2 2HB2 AIB 2 -0.797 4.803 1.091 10 HB23 AIB 2 3HB2 AIB 2 -1.298 3.327 2.021 11 H ASN 3 HN ASN 3 1.888 2.430 -0.991 12 HA ASN 3 HA ASN 3 2.956 5.012 -1.689 13 HB2 ASN 3 2HB ASN 3 3.945 2.607 -2.115 14 HB3 ASN 3 3HB ASN 3 2.972 2.692 -3.580 15 HD21 ASN 3 1HD2 ASN 3 3.452 4.265 -5.137 16 HD22 ASN 3 2HD2 ASN 3 4.995 5.040 -5.189 17 H ILE 4 HN ILE 4 0.097 3.256 -2.350 18 HA ILE 4 HA ILE 4 -0.495 4.547 -4.857 19 HB ILE 4 HB ILE 4 -2.287 2.935 -3.036 20 HG12 ILE 4 2HG1 ILE 4 -0.851 2.132 -5.576 21 HG13 ILE 4 3HG1 ILE 4 -0.345 1.688 -3.949 22 HG21 ILE 4 1HG2 ILE 4 -3.231 2.796 -5.647 23 HG22 ILE 4 2HG2 ILE 4 -3.950 3.687 -4.307 24 HG23 ILE 4 3HG2 ILE 4 -2.831 4.496 -5.403 25 HD11 ILE 4 1HD1 ILE 4 -2.318 0.475 -5.663 26 HD12 ILE 4 2HD1 ILE 4 -1.570 -0.139 -4.188 27 HD13 ILE 4 3HD1 ILE 4 -2.997 0.893 -4.091 28 H ILE 5 HN ILE 5 -1.123 5.116 -1.483 29 HA ILE 5 HA ILE 5 -3.265 6.964 -1.845 30 HB ILE 5 HB ILE 5 -1.398 6.606 0.501 31 HG12 ILE 5 2HG1 ILE 5 -2.700 4.597 0.018 32 HG13 ILE 5 3HG1 ILE 5 -3.284 5.361 1.492 33 HG21 ILE 5 1HG2 ILE 5 -3.854 8.275 0.109 34 HG22 ILE 5 2HG2 ILE 5 -3.391 7.698 1.709 35 HG23 ILE 5 3HG2 ILE 5 -2.295 8.734 0.794 36 HD11 ILE 5 1HD1 ILE 5 -5.182 4.675 0.272 37 HD12 ILE 5 2HD1 ILE 5 -5.077 6.427 0.092 38 HD13 ILE 5 3HD1 ILE 5 -4.561 5.373 -1.223 39 H AIB 6 HN AIB 6 0.255 7.126 -1.682 40 HB11 AIB 6 1HB1 AIB 6 2.166 7.694 -2.373 41 HB12 AIB 6 2HB1 AIB 6 2.434 9.169 -3.396 42 HB13 AIB 6 3HB1 AIB 6 2.813 9.213 -1.621 43 HB21 AIB 6 1HB2 AIB 6 -0.304 10.637 -0.745 44 HB22 AIB 6 2HB2 AIB 6 0.987 9.621 0.023 45 HB23 AIB 6 3HB2 AIB 6 1.444 11.014 -1.047 46 HA PRO 7 HA PRO 7 0.094 10.992 -5.884 47 HB2 PRO 7 2HB PRO 7 -0.954 9.116 -7.543 48 HB3 PRO 7 3HB PRO 7 0.784 9.294 -7.270 49 HG2 PRO 7 2HG PRO 7 -1.135 7.345 -6.052 50 HG3 PRO 7 3HG PRO 7 0.505 7.066 -6.666 51 HD2 PRO 7 2HD PRO 7 -0.035 7.341 -4.027 52 HD3 PRO 7 3HD PRO 7 1.496 7.875 -4.749 53 H LEU 8 HN LEU 8 -2.274 8.607 -4.735 54 HA LEU 8 HA LEU 8 -4.541 9.832 -5.885 55 HB2 LEU 8 2HB LEU 8 -4.230 7.984 -3.531 56 HB3 LEU 8 3HB LEU 8 -5.796 8.511 -4.145 57 HG LEU 8 HG LEU 8 -3.762 6.938 -5.725 58 HD11 LEU 8 1HD1 LEU 8 -4.668 5.620 -3.886 59 HD12 LEU 8 2HD1 LEU 8 -5.286 5.052 -5.437 60 HD13 LEU 8 3HD1 LEU 8 -6.309 6.032 -4.387 61 HD21 LEU 8 1HD2 LEU 8 -5.119 8.247 -7.188 62 HD22 LEU 8 2HD2 LEU 8 -6.586 7.813 -6.310 63 HD23 LEU 8 3HD2 LEU 8 -5.720 6.590 -7.240 64 H LEU 9 HN LEU 9 -2.583 10.752 -3.280 65 HA LEU 9 HA LEU 9 -4.529 12.045 -1.658 66 HB2 LEU 9 2HB LEU 9 -2.335 11.391 -0.810 67 HB3 LEU 9 3HB LEU 9 -1.564 12.535 -1.907 68 HG LEU 9 HG LEU 9 -1.829 13.165 0.580 69 HD11 LEU 9 1HD1 LEU 9 -2.879 15.480 -0.679 70 HD12 LEU 9 2HD1 LEU 9 -1.823 14.660 -1.828 71 HD13 LEU 9 3HD1 LEU 9 -1.208 15.125 -0.242 72 HD21 LEU 9 1HD2 LEU 9 -3.862 13.922 1.356 73 HD22 LEU 9 2HD2 LEU 9 -4.348 12.527 0.393 74 HD23 LEU 9 3HD2 LEU 9 -4.516 14.155 -0.265 75 H AIB 10 HN AIB 10 -2.402 13.012 -4.334 76 HB11 AIB 10 1HB1 AIB 10 -2.911 15.308 -7.011 77 HB12 AIB 10 2HB1 AIB 10 -1.371 15.405 -6.057 78 HB13 AIB 10 3HB1 AIB 10 -2.159 13.796 -6.349 79 HB21 AIB 10 1HB2 AIB 10 -3.300 16.482 -3.258 80 HB22 AIB 10 2HB2 AIB 10 -1.614 15.912 -3.612 81 HB23 AIB 10 3HB2 AIB 10 -2.432 17.081 -4.733 82 HA PRO 11 HA PRO 11 -6.829 15.602 -6.826 83 HB2 PRO 11 2HB PRO 11 -8.021 13.186 -7.159 84 HB3 PRO 11 3HB PRO 11 -6.835 13.837 -8.297 85 HG2 PRO 11 2HG PRO 11 -6.455 11.837 -6.102 86 HG3 PRO 11 3HG PRO 11 -5.812 11.820 -7.754 87 HD2 PRO 11 2HD PRO 11 -4.330 12.585 -5.621 88 HD3 PRO 11 3HD PRO 11 -4.106 13.281 -7.239 89 HN1 DCL 12 HN DCL 12 -6.602 12.958 -4.434 90 HA DCL 12 HA DCL 12 -9.016 14.195 -2.949 91 HC1 DCL 12 2HB1 DCL 12 -7.845 13.079 -0.870 92 HC2 DCL 12 3HB1 DCL 12 -6.377 12.957 -1.930 93 HB1 DCL 12 2HB DCL 12 -8.211 11.295 -3.496 94 HB2 DCL 12 3HB DCL 12 -9.148 11.713 -1.999 95 HG DCL 12 HG DCL 12 -10.425 13.097 -4.152 96 HD11 DCL 12 1HD1 DCL 12 -11.214 11.805 -1.947 97 HD12 DCL 12 2HD1 DCL 12 -12.321 11.862 -3.385 98 HD13 DCL 12 3HD1 DCL 12 -11.335 10.373 -3.056 99 HD21 DCL 12 1HD2 DCL 12 -10.883 11.489 -5.842 100 HD22 DCL 12 2HD2 DCL 12 -9.089 11.381 -5.590 101 HD23 DCL 12 3HD2 DCL 12 -10.186 10.128 -4.866 102 HXT DCL 12 4H1 DCL 12 -6.069 15.170 -1.495 Start of MODEL 20 1 H1 ACE 1 1H1 ACE 1 1.851 2.392 4.396 2 H2 ACE 1 2H1 ACE 1 1.242 0.724 4.518 3 H3 ACE 1 3H1 ACE 1 2.468 1.137 3.294 4 H AIB 2 HN AIB 2 1.917 2.886 1.777 5 HB11 AIB 2 1HB1 AIB 2 -2.027 3.160 1.610 6 HB12 AIB 2 2HB1 AIB 2 -0.807 4.316 2.295 7 HB13 AIB 2 3HB1 AIB 2 -1.512 4.609 0.648 8 HB21 AIB 2 1HB2 AIB 2 0.119 0.956 0.058 9 HB22 AIB 2 2HB2 AIB 2 -1.536 1.436 0.623 10 HB23 AIB 2 3HB2 AIB 2 -0.921 2.017 -0.983 11 H ASN 3 HN ASN 3 1.349 2.296 -1.345 12 HA ASN 3 HA ASN 3 2.492 4.898 -1.811 13 HB2 ASN 3 2HB ASN 3 3.276 2.315 -2.384 14 HB3 ASN 3 3HB ASN 3 2.795 2.934 -3.961 15 HD21 ASN 3 1HD2 ASN 3 5.389 2.428 -2.221 16 HD22 ASN 3 2HD2 ASN 3 6.374 3.775 -2.667 17 H ILE 4 HN ILE 4 -0.294 3.200 -2.837 18 HA ILE 4 HA ILE 4 -0.624 4.621 -5.324 19 HB ILE 4 HB ILE 4 -2.689 3.009 -3.825 20 HG12 ILE 4 2HG1 ILE 4 -1.880 1.371 -5.811 21 HG13 ILE 4 3HG1 ILE 4 -0.365 2.205 -5.482 22 HG21 ILE 4 1HG2 ILE 4 -2.898 2.920 -6.676 23 HG22 ILE 4 2HG2 ILE 4 -4.067 3.504 -5.492 24 HG23 ILE 4 3HG2 ILE 4 -2.847 4.600 -6.141 25 HD11 ILE 4 1HD1 ILE 4 -1.489 0.035 -4.102 26 HD12 ILE 4 2HD1 ILE 4 -0.018 0.928 -3.716 27 HD13 ILE 4 3HD1 ILE 4 -1.559 1.421 -3.014 28 H ILE 5 HN ILE 5 -1.610 4.998 -2.008 29 HA ILE 5 HA ILE 5 -3.706 6.871 -2.490 30 HB ILE 5 HB ILE 5 -2.097 6.408 0.024 31 HG12 ILE 5 2HG1 ILE 5 -4.773 5.303 -0.859 32 HG13 ILE 5 3HG1 ILE 5 -3.272 4.393 -0.722 33 HG21 ILE 5 1HG2 ILE 5 -3.959 8.437 -0.628 34 HG22 ILE 5 2HG2 ILE 5 -4.736 7.345 0.517 35 HG23 ILE 5 3HG2 ILE 5 -3.200 8.106 0.929 36 HD11 ILE 5 1HD1 ILE 5 -3.483 5.407 1.774 37 HD12 ILE 5 2HD1 ILE 5 -5.181 5.210 1.342 38 HD13 ILE 5 3HD1 ILE 5 -4.089 3.827 1.280 39 H AIB 6 HN AIB 6 -0.224 7.015 -1.929 40 HB11 AIB 6 1HB1 AIB 6 1.751 7.615 -2.356 41 HB12 AIB 6 2HB1 AIB 6 2.115 9.125 -3.293 42 HB13 AIB 6 3HB1 AIB 6 2.309 9.107 -1.489 43 HB21 AIB 6 1HB2 AIB 6 -0.883 10.495 -0.884 44 HB22 AIB 6 2HB2 AIB 6 0.278 9.402 -0.020 45 HB23 AIB 6 3HB2 AIB 6 0.896 10.838 -0.941 46 HA PRO 7 HA PRO 7 0.062 11.111 -5.904 47 HB2 PRO 7 2HB PRO 7 -0.791 9.333 -7.770 48 HB3 PRO 7 3HB PRO 7 0.905 9.492 -7.299 49 HG2 PRO 7 2HG PRO 7 -1.127 7.482 -6.410 50 HG3 PRO 7 3HG PRO 7 0.571 7.234 -6.856 51 HD2 PRO 7 2HD PRO 7 -0.256 7.361 -4.281 52 HD3 PRO 7 3HD PRO 7 1.344 7.932 -4.799 53 H LEU 8 HN LEU 8 -2.408 8.674 -5.147 54 HA LEU 8 HA LEU 8 -4.542 9.958 -6.473 55 HB2 LEU 8 2HB LEU 8 -4.503 8.010 -4.177 56 HB3 LEU 8 3HB LEU 8 -5.978 8.548 -4.977 57 HG LEU 8 HG LEU 8 -3.740 7.124 -6.407 58 HD11 LEU 8 1HD1 LEU 8 -5.133 5.116 -6.263 59 HD12 LEU 8 2HD1 LEU 8 -6.261 5.977 -5.216 60 HD13 LEU 8 3HD1 LEU 8 -4.614 5.667 -4.669 61 HD21 LEU 8 1HD2 LEU 8 -5.955 6.614 -7.811 62 HD22 LEU 8 2HD2 LEU 8 -4.938 8.025 -8.106 63 HD23 LEU 8 3HD2 LEU 8 -6.405 8.181 -7.138 64 H LEU 9 HN LEU 9 -2.884 10.738 -3.622 65 HA LEU 9 HA LEU 9 -5.000 11.956 -2.164 66 HB2 LEU 9 2HB LEU 9 -2.927 11.254 -1.098 67 HB3 LEU 9 3HB LEU 9 -2.024 12.425 -2.057 68 HG LEU 9 HG LEU 9 -3.813 14.041 -0.799 69 HD11 LEU 9 1HD1 LEU 9 -2.967 12.355 1.471 70 HD12 LEU 9 2HD1 LEU 9 -4.306 11.749 0.498 71 HD13 LEU 9 3HD1 LEU 9 -4.417 13.336 1.259 72 HD21 LEU 9 1HD2 LEU 9 -1.794 14.930 -0.499 73 HD22 LEU 9 2HD2 LEU 9 -1.005 13.354 -0.572 74 HD23 LEU 9 3HD2 LEU 9 -1.674 13.936 0.953 75 H AIB 10 HN AIB 10 -2.591 13.045 -4.536 76 HB11 AIB 10 1HB1 AIB 10 -2.863 15.331 -7.166 77 HB12 AIB 10 2HB1 AIB 10 -1.445 15.643 -6.078 78 HB13 AIB 10 3HB1 AIB 10 -2.006 13.942 -6.374 79 HB21 AIB 10 1HB2 AIB 10 -3.568 16.413 -3.345 80 HB22 AIB 10 2HB2 AIB 10 -1.845 15.927 -3.641 81 HB23 AIB 10 3HB2 AIB 10 -2.642 17.150 -4.719 82 HA PRO 11 HA PRO 11 -6.719 15.787 -7.359 83 HB2 PRO 11 2HB PRO 11 -7.871 13.399 -7.943 84 HB3 PRO 11 3HB PRO 11 -6.567 14.099 -8.910 85 HG2 PRO 11 2HG PRO 11 -6.431 11.988 -6.792 86 HG3 PRO 11 3HG PRO 11 -5.612 12.051 -8.364 87 HD2 PRO 11 2HD PRO 11 -4.369 12.696 -6.046 88 HD3 PRO 11 3HD PRO 11 -3.970 13.472 -7.592 89 HN1 DCL 12 HN DCL 12 -6.456 13.453 -4.756 90 HA DCL 12 HA DCL 12 -9.374 13.624 -3.970 91 HC1 DCL 12 2HB1 DCL 12 -8.934 14.779 -1.788 92 HC2 DCL 12 3HB1 DCL 12 -7.185 14.975 -2.232 93 HB1 DCL 12 2HB DCL 12 -7.941 11.568 -3.589 94 HB2 DCL 12 3HB DCL 12 -6.960 12.521 -2.397 95 HG DCL 12 HG DCL 12 -9.749 12.861 -1.723 96 HD11 DCL 12 1HD1 DCL 12 -8.980 11.997 0.418 97 HD12 DCL 12 2HD1 DCL 12 -7.668 11.021 -0.369 98 HD13 DCL 12 3HD1 DCL 12 -7.545 12.832 -0.313 99 HD21 DCL 12 1HD2 DCL 12 -9.972 10.677 -3.091 100 HD22 DCL 12 2HD2 DCL 12 -8.970 9.894 -1.797 101 HD23 DCL 12 3HD2 DCL 12 -10.571 10.640 -1.379 102 HXT DCL 12 4H1 DCL 12 -7.843 16.827 -3.379
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