NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16683 | 2ak0 | 6817 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 7.369 5.267 5.498 2 1HA GLY 1 2HA GLY 1 7.334 4.022 7.425 3 2HA GLY 1 1HA GLY 1 5.605 4.331 7.459 4 H CYS 2 H CYS 2 4.431 2.572 7.521 5 HA CYS 2 HA CYS 2 5.537 0.008 6.805 6 1HB CYS 2 2HB CYS 2 3.941 0.568 8.778 7 2HB CYS 2 1HB CYS 2 2.666 0.487 7.569 8 H CYS 3 H CYS 3 3.065 2.204 5.579 9 HA CYS 3 HA CYS 3 1.881 0.571 3.676 10 1HB CYS 3 2HB CYS 3 2.296 3.556 3.516 11 2HB CYS 3 1HB CYS 3 1.107 2.625 2.612 12 H SER 4 H SER 4 4.943 2.277 3.480 13 HA SER 4 HA SER 4 5.201 2.147 0.661 14 1HB SER 4 2HB SER 4 7.742 2.319 1.336 15 2HB SER 4 1HB SER 4 6.656 3.686 1.582 16 HG SER 4 HG SER 4 7.725 1.893 3.464 17 H ASN 5 H ASN 5 5.421 -0.223 3.090 18 HA ASN 5 HA ASN 5 7.113 -2.007 1.532 19 1HB ASN 5 2HB ASN 5 5.736 -2.290 4.210 20 2HB ASN 5 1HB ASN 5 6.597 -3.618 3.436 21 1HD2 ASN 5 1HD2 ASN 5 6.867 -1.203 5.630 22 2HD2 ASN 5 2HD2 ASN 5 8.581 -1.005 5.636 23 HA PRO 6 HA PRO 6 3.773 -3.560 -0.934 24 1HB PRO 6 2HB PRO 6 5.444 -6.031 -0.809 25 2HB PRO 6 1HB PRO 6 4.732 -5.222 -2.210 26 1HG PRO 6 2HG PRO 6 7.322 -4.964 -1.685 27 2HG PRO 6 1HG PRO 6 6.374 -3.580 -2.261 28 1HD PRO 6 2HD PRO 6 7.383 -4.180 0.481 29 2HD PRO 6 1HD PRO 6 7.191 -2.616 -0.336 30 H VAL 7 H VAL 7 5.079 -5.728 1.583 31 HA VAL 7 HA VAL 7 2.827 -7.401 1.750 32 HB VAL 7 HB VAL 7 4.827 -6.773 3.930 33 1HG1 VAL 7 1HG1 VAL 7 2.826 -7.875 4.781 34 2HG1 VAL 7 2HG1 VAL 7 4.212 -8.964 4.834 35 3HG1 VAL 7 3HG1 VAL 7 2.996 -9.145 3.569 36 1HG2 VAL 7 1HG2 VAL 7 6.329 -8.098 2.933 37 2HG2 VAL 7 2HG2 VAL 7 5.371 -7.853 1.473 38 3HG2 VAL 7 3HG2 VAL 7 5.111 -9.285 2.469 39 H CYS 8 H CYS 8 3.787 -4.604 3.704 40 HA CYS 8 HA CYS 8 1.495 -4.641 5.374 41 1HB CYS 8 2HB CYS 8 3.752 -3.437 5.726 42 2HB CYS 8 1HB CYS 8 3.059 -2.166 4.736 43 H HIS 9 H HIS 9 2.312 -2.973 2.388 44 HA HIS 9 HA HIS 9 0.100 -1.250 2.248 45 1HB HIS 9 2HB HIS 9 2.237 -1.340 0.784 46 2HB HIS 9 1HB HIS 9 1.336 -2.486 -0.196 47 HD1 HIS 9 1HD HIS 9 1.994 -0.178 -1.783 48 HD2 HIS 9 2HD HIS 9 -1.266 -0.061 0.794 49 HE1 HIS 9 1HE HIS 9 0.519 1.668 -2.643 50 HE2 HIS 9 2HE HIS 9 -1.511 1.639 -1.146 51 H LEU 10 H LEU 10 0.530 -4.580 1.203 52 HA LEU 10 HA LEU 10 -1.895 -4.850 -0.210 53 1HB LEU 10 2HB LEU 10 -0.020 -6.448 -0.360 54 2HB LEU 10 1HB LEU 10 -0.332 -6.958 1.288 55 HG LEU 10 HG LEU 10 -2.562 -7.779 0.583 56 1HD1 LEU 10 1HD1 LEU 10 -2.769 -8.109 -1.960 57 2HD1 LEU 10 2HD1 LEU 10 -1.607 -6.788 -2.077 58 3HD1 LEU 10 3HD1 LEU 10 -3.159 -6.528 -1.283 59 1HD2 LEU 10 1HD2 LEU 10 -0.844 -9.193 -1.307 60 2HD2 LEU 10 2HD2 LEU 10 -1.673 -9.781 0.134 61 3HD2 LEU 10 3HD2 LEU 10 -0.115 -8.967 0.282 62 H GLU 11 H GLU 11 -1.045 -5.654 3.140 63 HA GLU 11 HA GLU 11 -3.641 -6.473 3.922 64 1HB GLU 11 2HB GLU 11 -1.640 -7.135 5.159 65 2HB GLU 11 1HB GLU 11 -1.305 -5.458 5.557 66 1HG GLU 11 2HG GLU 11 -2.231 -6.468 7.481 67 2HG GLU 11 1HG GLU 11 -3.467 -5.409 6.807 68 H HIS 12 H HIS 12 -1.847 -3.456 4.304 69 HA HIS 12 HA HIS 12 -4.204 -2.095 5.351 70 1HB HIS 12 2HB HIS 12 -1.439 -0.986 4.793 71 2HB HIS 12 1HB HIS 12 -2.730 -0.155 5.643 72 HD1 HIS 12 1HD HIS 12 -1.189 0.122 7.705 73 HD2 HIS 12 2HD HIS 12 -1.932 -3.831 6.675 74 HE1 HIS 12 1HE HIS 12 -0.426 -1.243 9.674 75 HE2 HIS 12 2HE HIS 12 -0.789 -3.639 8.981 76 H SER 13 H SER 13 -4.510 -3.057 2.769 77 HA SER 13 HA SER 13 -3.897 -1.214 0.745 78 1HB SER 13 2HB SER 13 -5.961 -2.390 -0.353 79 2HB SER 13 1HB SER 13 -4.485 -3.306 -0.044 80 HG SER 13 HG SER 13 -5.511 -4.480 1.370 81 H ASN 14 H ASN 14 -6.826 -1.621 2.697 82 HA ASN 14 HA ASN 14 -8.075 0.670 1.477 83 1HB ASN 14 2HB ASN 14 -9.915 0.260 3.067 84 2HB ASN 14 1HB ASN 14 -9.475 -1.191 2.178 85 1HD2 ASN 14 1HD2 ASN 14 -8.978 -2.972 3.285 86 2HD2 ASN 14 2HD2 ASN 14 -8.787 -3.053 5.000 87 H LEU 15 H LEU 15 -6.015 0.089 4.158 88 HA LEU 15 HA LEU 15 -6.721 2.437 5.634 89 1HB LEU 15 2HB LEU 15 -4.337 0.606 5.810 90 2HB LEU 15 1HB LEU 15 -4.560 1.988 6.858 91 HG LEU 15 HG LEU 15 -5.272 0.216 8.161 92 1HD1 LEU 15 1HD1 LEU 15 -7.981 0.345 7.608 93 2HD1 LEU 15 2HD1 LEU 15 -7.343 1.891 7.051 94 3HD1 LEU 15 3HD1 LEU 15 -7.073 1.375 8.715 95 1HD2 LEU 15 1HD2 LEU 15 -5.893 -1.779 7.403 96 2HD2 LEU 15 2HD2 LEU 15 -5.550 -1.154 5.790 97 3HD2 LEU 15 3HD2 LEU 15 -7.193 -1.096 6.427 98 H CYS 16 H CYS 16 -3.999 1.555 3.541 99 HA CYS 16 HA CYS 16 -3.015 4.297 3.643 100 1HB CYS 16 2HB CYS 16 -1.856 2.039 2.014 101 2HB CYS 16 1HB CYS 16 -1.050 3.501 2.570 102 H GLY 17 H GLY 17 -4.492 2.066 1.353 103 1HA GLY 17 2HA GLY 17 -5.539 2.463 -0.652 104 2HA GLY 17 1HA GLY 17 -5.502 4.177 -0.253 105 H ALA 18 H ALA 18 -4.626 5.229 -1.890 106 HA ALA 18 HA ALA 18 -2.031 4.311 -2.908 107 1HB ALA 18 1HB ALA 18 -2.626 4.469 -5.128 108 2HB ALA 18 2HB ALA 18 -3.969 5.563 -4.803 109 3HB ALA 18 3HB ALA 18 -4.118 3.847 -4.425 110 H GLY 19 H GLY 19 -2.308 6.170 -0.926 111 1HA GLY 19 2HA GLY 19 -0.872 8.360 -1.911 112 2HA GLY 19 1HA GLY 19 -2.558 8.841 -1.786 113 H GLY 20 H GLY 20 -3.253 7.355 0.503 114 1HA GLY 20 2HA GLY 20 -2.351 9.125 2.531 115 2HA GLY 20 1HA GLY 20 -3.351 7.699 2.770 116 H ALA 21 H ALA 21 -0.708 8.996 3.882 117 HA ALA 21 HA ALA 21 1.203 8.307 4.885 118 1HB ALA 21 1HB ALA 21 -0.075 6.980 6.309 119 2HB ALA 21 2HB ALA 21 1.145 5.867 5.692 120 3HB ALA 21 3HB ALA 21 -0.489 5.837 5.030 121 H ALA 22 H ALA 22 1.872 8.658 2.466 122 HA ALA 22 HA ALA 22 2.670 6.374 0.967 123 1HB ALA 22 1HB ALA 22 2.349 8.179 -0.400 124 2HB ALA 22 2HB ALA 22 4.102 8.236 -0.211 125 3HB ALA 22 3HB ALA 22 3.076 9.312 0.738 126 H GLY 23 H GLY 23 3.671 5.745 3.320 127 1HA GLY 23 2HA GLY 23 6.370 5.230 2.878 128 2HA GLY 23 1HA GLY 23 6.283 6.652 3.913 Start of MODEL 2 1 1H GLY 1 H GLY 1 6.527 4.089 4.732 2 1HA GLY 1 2HA GLY 1 7.008 3.410 7.459 3 2HA GLY 1 1HA GLY 1 5.401 4.087 7.264 4 H CYS 2 H CYS 2 4.187 2.337 7.631 5 HA CYS 2 HA CYS 2 4.677 -0.295 6.906 6 1HB CYS 2 2HB CYS 2 2.993 -0.045 8.465 7 2HB CYS 2 1HB CYS 2 2.231 1.274 7.599 8 H CYS 3 H CYS 3 2.469 1.949 5.260 9 HA CYS 3 HA CYS 3 1.819 0.290 3.139 10 1HB CYS 3 2HB CYS 3 1.896 3.299 3.238 11 2HB CYS 3 1HB CYS 3 1.108 2.356 1.976 12 H SER 4 H SER 4 4.752 2.021 3.625 13 HA SER 4 HA SER 4 5.542 2.237 0.911 14 1HB SER 4 2HB SER 4 7.308 2.031 3.362 15 2HB SER 4 1HB SER 4 7.762 2.691 1.789 16 HG SER 4 HG SER 4 6.384 4.399 2.107 17 H ASN 5 H ASN 5 5.470 -0.305 3.217 18 HA ASN 5 HA ASN 5 7.211 -2.049 1.660 19 1HB ASN 5 2HB ASN 5 5.794 -2.310 4.306 20 2HB ASN 5 1HB ASN 5 6.454 -3.728 3.493 21 1HD2 ASN 5 1HD2 ASN 5 7.086 -1.382 5.708 22 2HD2 ASN 5 2HD2 ASN 5 8.811 -1.442 5.699 23 HA PRO 6 HA PRO 6 3.909 -3.442 -0.942 24 1HB PRO 6 2HB PRO 6 4.973 -6.004 -1.342 25 2HB PRO 6 1HB PRO 6 5.290 -4.575 -2.327 26 1HG PRO 6 2HG PRO 6 6.914 -5.761 -0.127 27 2HG PRO 6 1HG PRO 6 7.449 -4.971 -1.621 28 1HD PRO 6 2HD PRO 6 7.575 -3.710 0.735 29 2HD PRO 6 1HD PRO 6 7.135 -2.838 -0.750 30 H VAL 7 H VAL 7 5.097 -5.746 1.510 31 HA VAL 7 HA VAL 7 2.778 -7.342 1.564 32 HB VAL 7 HB VAL 7 4.811 -6.900 3.758 33 1HG1 VAL 7 1HG1 VAL 7 2.891 -9.196 3.377 34 2HG1 VAL 7 2HG1 VAL 7 2.688 -7.892 4.548 35 3HG1 VAL 7 3HG1 VAL 7 4.056 -8.997 4.688 36 1HG2 VAL 7 1HG2 VAL 7 4.676 -8.935 1.537 37 2HG2 VAL 7 2HG2 VAL 7 5.782 -9.029 2.908 38 3HG2 VAL 7 3HG2 VAL 7 5.901 -7.687 1.769 39 H CYS 8 H CYS 8 3.837 -4.707 3.688 40 HA CYS 8 HA CYS 8 1.533 -4.740 5.329 41 1HB CYS 8 2HB CYS 8 3.903 -3.598 5.623 42 2HB CYS 8 1HB CYS 8 3.069 -2.223 4.917 43 H HIS 9 H HIS 9 2.372 -3.019 2.380 44 HA HIS 9 HA HIS 9 0.222 -1.194 2.342 45 1HB HIS 9 2HB HIS 9 2.319 -1.235 0.856 46 2HB HIS 9 1HB HIS 9 1.456 -2.404 -0.127 47 HD1 HIS 9 1HD HIS 9 2.176 0.049 -1.583 48 HD2 HIS 9 2HD HIS 9 -1.306 -0.170 0.677 49 HE1 HIS 9 1HE HIS 9 0.645 1.804 -2.530 50 HE2 HIS 9 2HE HIS 9 -1.517 1.534 -1.262 51 H LEU 10 H LEU 10 0.574 -4.465 1.075 52 HA LEU 10 HA LEU 10 -1.924 -4.607 -0.236 53 1HB LEU 10 2HB LEU 10 -0.082 -6.179 -0.655 54 2HB LEU 10 1HB LEU 10 -0.252 -6.820 0.967 55 HG LEU 10 HG LEU 10 -2.541 -7.599 0.373 56 1HD1 LEU 10 1HD1 LEU 10 -2.054 -5.983 -1.933 57 2HD1 LEU 10 2HD1 LEU 10 -3.535 -6.804 -1.439 58 3HD1 LEU 10 3HD1 LEU 10 -2.349 -7.649 -2.433 59 1HD2 LEU 10 1HD2 LEU 10 -0.656 -9.126 0.271 60 2HD2 LEU 10 2HD2 LEU 10 -0.296 -8.601 -1.374 61 3HD2 LEU 10 3HD2 LEU 10 -1.794 -9.468 -1.033 62 H GLU 11 H GLU 11 -0.877 -5.610 2.989 63 HA GLU 11 HA GLU 11 -3.363 -6.606 3.871 64 1HB GLU 11 2HB GLU 11 -1.221 -7.161 4.936 65 2HB GLU 11 1HB GLU 11 -1.030 -5.489 5.438 66 1HG GLU 11 2HG GLU 11 -1.742 -6.804 7.305 67 2HG GLU 11 1HG GLU 11 -3.044 -5.711 6.839 68 H HIS 12 H HIS 12 -1.757 -3.488 4.378 69 HA HIS 12 HA HIS 12 -4.215 -2.381 5.513 70 1HB HIS 12 2HB HIS 12 -1.505 -1.062 5.202 71 2HB HIS 12 1HB HIS 12 -2.875 -0.418 6.095 72 HD1 HIS 12 1HD HIS 12 -1.449 -0.332 8.259 73 HD2 HIS 12 2HD HIS 12 -1.871 -4.144 6.678 74 HE1 HIS 12 1HE HIS 12 -0.674 -1.898 10.067 75 HE2 HIS 12 2HE HIS 12 -1.077 -4.205 9.136 76 H SER 13 H SER 13 -4.421 -3.069 2.862 77 HA SER 13 HA SER 13 -3.859 -0.969 1.061 78 1HB SER 13 2HB SER 13 -5.707 -2.180 -0.298 79 2HB SER 13 1HB SER 13 -4.215 -3.048 0.065 80 HG SER 13 HG SER 13 -5.283 -4.387 1.296 81 H ASN 14 H ASN 14 -6.612 -1.710 3.082 82 HA ASN 14 HA ASN 14 -8.404 0.173 1.963 83 1HB ASN 14 2HB ASN 14 -9.773 -0.221 3.913 84 2HB ASN 14 1HB ASN 14 -9.081 -1.753 3.391 85 1HD2 ASN 14 1HD2 ASN 14 -9.886 -0.159 6.030 86 2HD2 ASN 14 2HD2 ASN 14 -8.678 -0.711 7.135 87 H LEU 15 H LEU 15 -5.745 0.519 4.129 88 HA LEU 15 HA LEU 15 -6.677 2.996 5.261 89 1HB LEU 15 2HB LEU 15 -4.005 1.623 5.454 90 2HB LEU 15 1HB LEU 15 -4.457 3.061 6.350 91 HG LEU 15 HG LEU 15 -5.743 0.341 6.606 92 1HD1 LEU 15 1HD1 LEU 15 -3.578 0.334 7.618 93 2HD1 LEU 15 2HD1 LEU 15 -4.782 0.458 8.901 94 3HD1 LEU 15 3HD1 LEU 15 -3.881 1.888 8.396 95 1HD2 LEU 15 1HD2 LEU 15 -7.496 1.403 7.463 96 2HD2 LEU 15 2HD2 LEU 15 -6.692 2.964 7.296 97 3HD2 LEU 15 3HD2 LEU 15 -6.447 1.998 8.750 98 H CYS 16 H CYS 16 -3.954 2.135 3.137 99 HA CYS 16 HA CYS 16 -3.599 4.967 2.537 100 1HB CYS 16 2HB CYS 16 -1.936 2.541 1.902 101 2HB CYS 16 1HB CYS 16 -1.583 4.133 1.241 102 H GLY 17 H GLY 17 -4.756 2.070 0.991 103 1HA GLY 17 2HA GLY 17 -5.820 1.765 -1.016 104 2HA GLY 17 1HA GLY 17 -6.025 3.510 -1.079 105 H ALA 18 H ALA 18 -5.463 3.972 -3.120 106 HA ALA 18 HA ALA 18 -3.092 2.805 -4.317 107 1HB ALA 18 1HB ALA 18 -3.915 3.482 -6.335 108 2HB ALA 18 2HB ALA 18 -4.634 4.951 -5.675 109 3HB ALA 18 3HB ALA 18 -5.421 3.393 -5.422 110 H GLY 19 H GLY 19 -2.481 4.346 -2.080 111 1HA GLY 19 2HA GLY 19 -0.540 6.110 -3.170 112 2HA GLY 19 1HA GLY 19 -1.875 7.015 -2.469 113 H GLY 20 H GLY 20 -0.757 7.891 -0.773 114 1HA GLY 20 2HA GLY 20 0.007 7.979 1.393 115 2HA GLY 20 1HA GLY 20 -0.481 6.296 1.564 116 H ALA 21 H ALA 21 1.207 5.251 2.371 117 HA ALA 21 HA ALA 21 3.285 4.368 2.632 118 1HB ALA 21 1HB ALA 21 3.680 3.297 0.730 119 2HB ALA 21 2HB ALA 21 4.525 4.730 0.143 120 3HB ALA 21 3HB ALA 21 2.805 4.521 -0.191 121 H ALA 22 H ALA 22 3.038 7.051 3.406 122 HA ALA 22 HA ALA 22 5.263 8.575 2.444 123 1HB ALA 22 1HB ALA 22 3.579 9.956 3.162 124 2HB ALA 22 2HB ALA 22 4.641 9.962 4.570 125 3HB ALA 22 3HB ALA 22 3.197 8.949 4.559 126 H GLY 23 H GLY 23 6.555 6.414 2.993 127 1HA GLY 23 2HA GLY 23 8.427 5.668 4.104 128 2HA GLY 23 1HA GLY 23 8.375 7.142 5.058 Start of MODEL 3 1 1H GLY 1 H GLY 1 6.742 4.049 5.111 2 1HA GLY 1 2HA GLY 1 5.952 3.829 7.644 3 2HA GLY 1 1HA GLY 1 4.481 4.443 6.902 4 H CYS 2 H CYS 2 3.211 2.689 7.115 5 HA CYS 2 HA CYS 2 3.964 0.011 6.684 6 1HB CYS 2 2HB CYS 2 1.993 0.508 7.951 7 2HB CYS 2 1HB CYS 2 1.289 1.411 6.625 8 H CYS 3 H CYS 3 2.350 2.359 4.631 9 HA CYS 3 HA CYS 3 1.829 0.779 2.421 10 1HB CYS 3 2HB CYS 3 2.583 3.680 2.206 11 2HB CYS 3 1HB CYS 3 1.391 2.778 1.273 12 H SER 4 H SER 4 4.818 2.306 3.357 13 HA SER 4 HA SER 4 6.169 2.168 0.902 14 1HB SER 4 2HB SER 4 7.388 1.918 3.659 15 2HB SER 4 1HB SER 4 8.193 2.470 2.189 16 HG SER 4 HG SER 4 7.253 4.369 2.363 17 H ASN 5 H ASN 5 5.365 -0.218 3.246 18 HA ASN 5 HA ASN 5 7.190 -2.185 2.075 19 1HB ASN 5 2HB ASN 5 5.429 -2.206 4.525 20 2HB ASN 5 1HB ASN 5 6.168 -3.676 3.902 21 1HD2 ASN 5 1HD2 ASN 5 6.536 -1.169 6.017 22 2HD2 ASN 5 2HD2 ASN 5 8.241 -1.267 6.265 23 HA PRO 6 HA PRO 6 3.993 -3.378 -0.777 24 1HB PRO 6 2HB PRO 6 5.069 -5.915 -1.246 25 2HB PRO 6 1HB PRO 6 5.457 -4.443 -2.140 26 1HG PRO 6 2HG PRO 6 6.939 -5.755 0.091 27 2HG PRO 6 1HG PRO 6 7.569 -4.911 -1.335 28 1HD PRO 6 2HD PRO 6 7.570 -3.757 1.083 29 2HD PRO 6 1HD PRO 6 7.248 -2.816 -0.389 30 H VAL 7 H VAL 7 5.104 -5.785 1.615 31 HA VAL 7 HA VAL 7 2.766 -7.358 1.552 32 HB VAL 7 HB VAL 7 4.717 -7.029 3.841 33 1HG1 VAL 7 1HG1 VAL 7 2.545 -8.094 4.424 34 2HG1 VAL 7 2HG1 VAL 7 3.937 -9.158 4.628 35 3HG1 VAL 7 3HG1 VAL 7 2.885 -9.342 3.225 36 1HG2 VAL 7 1HG2 VAL 7 4.797 -8.625 1.326 37 2HG2 VAL 7 2HG2 VAL 7 5.507 -9.302 2.792 38 3HG2 VAL 7 3HG2 VAL 7 6.093 -7.765 2.158 39 H CYS 8 H CYS 8 3.808 -4.799 3.767 40 HA CYS 8 HA CYS 8 1.527 -4.811 5.418 41 1HB CYS 8 2HB CYS 8 3.823 -3.671 5.771 42 2HB CYS 8 1HB CYS 8 3.156 -2.345 4.835 43 H HIS 9 H HIS 9 2.360 -3.026 2.507 44 HA HIS 9 HA HIS 9 0.192 -1.274 2.388 45 1HB HIS 9 2HB HIS 9 2.221 -1.190 0.928 46 2HB HIS 9 1HB HIS 9 1.585 -2.560 0.037 47 HD1 HIS 9 1HD HIS 9 -0.029 0.724 1.118 48 HD2 HIS 9 2HD HIS 9 0.548 -1.625 -2.261 49 HE1 HIS 9 1HE HIS 9 -1.222 1.919 -0.744 50 HE2 HIS 9 2HE HIS 9 -1.011 0.385 -2.730 51 H LEU 10 H LEU 10 0.565 -4.506 0.990 52 HA LEU 10 HA LEU 10 -1.945 -4.604 -0.276 53 1HB LEU 10 2HB LEU 10 -0.216 -6.844 0.773 54 2HB LEU 10 1HB LEU 10 -1.623 -7.079 -0.246 55 HG LEU 10 HG LEU 10 0.876 -5.576 -1.032 56 1HD1 LEU 10 1HD1 LEU 10 1.459 -7.431 -2.357 57 2HD1 LEU 10 2HD1 LEU 10 -0.112 -8.196 -2.119 58 3HD1 LEU 10 3HD1 LEU 10 1.031 -8.094 -0.780 59 1HD2 LEU 10 1HD2 LEU 10 -1.401 -6.407 -2.810 60 2HD2 LEU 10 2HD2 LEU 10 -0.068 -5.311 -3.174 61 3HD2 LEU 10 3HD2 LEU 10 -1.327 -4.822 -2.041 62 H GLU 11 H GLU 11 -0.920 -5.827 2.896 63 HA GLU 11 HA GLU 11 -3.401 -6.898 3.670 64 1HB GLU 11 2HB GLU 11 -1.227 -7.377 4.783 65 2HB GLU 11 1HB GLU 11 -1.235 -5.748 5.437 66 1HG GLU 11 2HG GLU 11 -3.531 -6.436 6.430 67 2HG GLU 11 1HG GLU 11 -2.954 -8.077 6.152 68 H HIS 12 H HIS 12 -1.952 -3.729 4.187 69 HA HIS 12 HA HIS 12 -4.491 -2.776 5.325 70 1HB HIS 12 2HB HIS 12 -1.748 -1.504 5.477 71 2HB HIS 12 1HB HIS 12 -3.192 -0.989 6.344 72 HD1 HIS 12 1HD HIS 12 -4.111 -2.798 8.152 73 HD2 HIS 12 2HD HIS 12 -0.250 -3.384 6.759 74 HE1 HIS 12 1HE HIS 12 -3.049 -4.388 9.774 75 HE2 HIS 12 2HE HIS 12 -0.858 -4.987 8.687 76 H SER 13 H SER 13 -4.532 -3.070 2.613 77 HA SER 13 HA SER 13 -3.681 -0.883 1.093 78 1HB SER 13 2HB SER 13 -6.022 -2.752 0.672 79 2HB SER 13 1HB SER 13 -5.448 -1.600 -0.533 80 HG SER 13 HG SER 13 -4.202 -3.924 0.458 81 H ASN 14 H ASN 14 -6.791 -1.456 2.702 82 HA ASN 14 HA ASN 14 -8.064 0.896 1.856 83 1HB ASN 14 2HB ASN 14 -8.525 -0.702 4.382 84 2HB ASN 14 1HB ASN 14 -9.621 0.514 3.738 85 1HD2 ASN 14 1HD2 ASN 14 -11.249 -0.256 2.614 86 2HD2 ASN 14 2HD2 ASN 14 -11.270 -1.746 1.742 87 H LEU 15 H LEU 15 -5.910 0.260 4.526 88 HA LEU 15 HA LEU 15 -6.381 2.677 5.925 89 1HB LEU 15 2HB LEU 15 -4.062 0.760 5.962 90 2HB LEU 15 1HB LEU 15 -4.164 2.160 7.010 91 HG LEU 15 HG LEU 15 -6.039 -0.205 6.984 92 1HD1 LEU 15 1HD1 LEU 15 -3.932 0.754 8.901 93 2HD1 LEU 15 2HD1 LEU 15 -4.031 -0.802 8.075 94 3HD1 LEU 15 3HD1 LEU 15 -5.185 -0.405 9.349 95 1HD2 LEU 15 1HD2 LEU 15 -6.204 1.840 9.108 96 2HD2 LEU 15 2HD2 LEU 15 -7.474 0.870 8.362 97 3HD2 LEU 15 3HD2 LEU 15 -6.847 2.293 7.530 98 H CYS 16 H CYS 16 -4.097 1.735 3.437 99 HA CYS 16 HA CYS 16 -2.671 4.228 3.527 100 1HB CYS 16 2HB CYS 16 -2.601 1.923 1.593 101 2HB CYS 16 1HB CYS 16 -1.595 3.354 1.423 102 H GLY 17 H GLY 17 -5.453 4.595 3.140 103 1HA GLY 17 2HA GLY 17 -5.821 5.320 0.341 104 2HA GLY 17 1HA GLY 17 -7.007 5.480 1.629 105 H ALA 18 H ALA 18 -3.819 6.611 2.118 106 HA ALA 18 HA ALA 18 -4.077 9.264 1.208 107 1HB ALA 18 1HB ALA 18 -5.644 9.062 3.311 108 2HB ALA 18 2HB ALA 18 -4.600 10.468 3.108 109 3HB ALA 18 3HB ALA 18 -4.121 9.164 4.195 110 H GLY 19 H GLY 19 -2.043 9.608 0.701 111 1HA GLY 19 2HA GLY 19 0.130 8.155 1.788 112 2HA GLY 19 1HA GLY 19 0.253 9.532 0.705 113 H GLY 20 H GLY 20 1.277 8.487 3.556 114 1HA GLY 20 2HA GLY 20 0.845 10.879 5.134 115 2HA GLY 20 1HA GLY 20 1.773 9.465 5.613 116 H ALA 21 H ALA 21 3.680 10.335 6.217 117 HA ALA 21 HA ALA 21 4.940 12.453 4.733 118 1HB ALA 21 1HB ALA 21 5.100 11.533 7.331 119 2HB ALA 21 2HB ALA 21 6.130 12.759 6.592 120 3HB ALA 21 3HB ALA 21 6.653 11.076 6.631 121 H ALA 22 H ALA 22 4.498 10.316 3.054 122 HA ALA 22 HA ALA 22 5.446 8.928 1.531 123 1HB ALA 22 1HB ALA 22 7.877 9.621 0.926 124 2HB ALA 22 2HB ALA 22 7.573 10.965 2.027 125 3HB ALA 22 3HB ALA 22 6.545 10.734 0.611 126 H GLY 23 H GLY 23 5.481 7.899 4.159 127 1HA GLY 23 2HA GLY 23 7.251 5.729 3.817 128 2HA GLY 23 1HA GLY 23 7.928 6.851 4.990 Start of MODEL 4 1 1H GLY 1 H GLY 1 6.459 5.884 5.385 2 1HA GLY 1 2HA GLY 1 6.541 4.569 7.260 3 2HA GLY 1 1HA GLY 1 4.788 4.675 7.253 4 H CYS 2 H CYS 2 4.017 2.713 7.536 5 HA CYS 2 HA CYS 2 5.330 0.307 6.796 6 1HB CYS 2 2HB CYS 2 3.515 0.775 8.612 7 2HB CYS 2 1HB CYS 2 2.374 0.511 7.303 8 H CYS 3 H CYS 3 2.954 2.353 5.266 9 HA CYS 3 HA CYS 3 1.968 0.620 3.320 10 1HB CYS 3 2HB CYS 3 2.387 3.606 3.134 11 2HB CYS 3 1HB CYS 3 1.343 2.651 2.085 12 H SER 4 H SER 4 5.030 2.217 3.524 13 HA SER 4 HA SER 4 5.775 2.180 0.806 14 1HB SER 4 2HB SER 4 7.776 1.757 3.001 15 2HB SER 4 1HB SER 4 7.917 2.735 1.540 16 HG SER 4 HG SER 4 6.859 3.364 4.009 17 H ASN 5 H ASN 5 5.537 -0.257 3.213 18 HA ASN 5 HA ASN 5 7.171 -2.162 1.741 19 1HB ASN 5 2HB ASN 5 5.721 -2.242 4.383 20 2HB ASN 5 1HB ASN 5 6.352 -3.713 3.644 21 1HD2 ASN 5 1HD2 ASN 5 8.344 -1.250 2.722 22 2HD2 ASN 5 2HD2 ASN 5 9.539 -1.381 3.962 23 HA PRO 6 HA PRO 6 3.802 -3.439 -0.851 24 1HB PRO 6 2HB PRO 6 5.360 -5.981 -0.840 25 2HB PRO 6 1HB PRO 6 4.729 -5.051 -2.206 26 1HG PRO 6 2HG PRO 6 7.315 -4.968 -1.603 27 2HG PRO 6 1HG PRO 6 6.457 -3.503 -2.118 28 1HD PRO 6 2HD PRO 6 7.336 -4.325 0.613 29 2HD PRO 6 1HD PRO 6 7.286 -2.708 -0.120 30 H VAL 7 H VAL 7 5.006 -5.740 1.594 31 HA VAL 7 HA VAL 7 2.710 -7.360 1.667 32 HB VAL 7 HB VAL 7 4.650 -6.844 3.930 33 1HG1 VAL 7 1HG1 VAL 7 3.812 -9.469 4.054 34 2HG1 VAL 7 2HG1 VAL 7 2.345 -8.590 3.626 35 3HG1 VAL 7 3HG1 VAL 7 3.246 -8.147 5.075 36 1HG2 VAL 7 1HG2 VAL 7 4.795 -8.633 1.534 37 2HG2 VAL 7 2HG2 VAL 7 5.620 -9.064 3.032 38 3HG2 VAL 7 3HG2 VAL 7 6.025 -7.561 2.203 39 H CYS 8 H CYS 8 3.708 -4.649 3.722 40 HA CYS 8 HA CYS 8 1.400 -4.644 5.352 41 1HB CYS 8 2HB CYS 8 3.661 -3.471 5.744 42 2HB CYS 8 1HB CYS 8 3.013 -2.190 4.734 43 H HIS 9 H HIS 9 2.270 -2.932 2.395 44 HA HIS 9 HA HIS 9 0.050 -1.219 2.249 45 1HB HIS 9 2HB HIS 9 2.142 -1.182 0.787 46 2HB HIS 9 1HB HIS 9 1.388 -2.460 -0.153 47 HD1 HIS 9 1HD HIS 9 -1.370 -1.590 -0.674 48 HD2 HIS 9 2HD HIS 9 1.756 1.152 -0.522 49 HE1 HIS 9 1HE HIS 9 -2.165 0.413 -1.968 50 HE2 HIS 9 2HE HIS 9 -0.319 2.110 -1.740 51 H LEU 10 H LEU 10 0.548 -4.492 1.023 52 HA LEU 10 HA LEU 10 -1.920 -4.746 -0.313 53 1HB LEU 10 2HB LEU 10 -0.002 -6.248 -0.670 54 2HB LEU 10 1HB LEU 10 -0.207 -6.892 0.947 55 HG LEU 10 HG LEU 10 -2.437 -7.756 0.286 56 1HD1 LEU 10 1HD1 LEU 10 -2.022 -6.071 -1.956 57 2HD1 LEU 10 2HD1 LEU 10 -3.432 -7.055 -1.564 58 3HD1 LEU 10 3HD1 LEU 10 -2.124 -7.734 -2.534 59 1HD2 LEU 10 1HD2 LEU 10 0.083 -8.763 -0.313 60 2HD2 LEU 10 2HD2 LEU 10 -0.863 -9.020 -1.778 61 3HD2 LEU 10 3HD2 LEU 10 -1.429 -9.666 -0.237 62 H GLU 11 H GLU 11 -0.915 -5.708 2.948 63 HA GLU 11 HA GLU 11 -3.411 -6.767 3.745 64 1HB GLU 11 2HB GLU 11 -1.282 -7.282 4.874 65 2HB GLU 11 1HB GLU 11 -1.170 -5.617 5.419 66 1HG GLU 11 2HG GLU 11 -3.380 -6.024 6.610 67 2HG GLU 11 1HG GLU 11 -3.107 -7.736 6.287 68 H HIS 12 H HIS 12 -1.897 -3.608 4.235 69 HA HIS 12 HA HIS 12 -4.390 -2.572 5.371 70 1HB HIS 12 2HB HIS 12 -1.733 -1.137 5.120 71 2HB HIS 12 1HB HIS 12 -3.122 -0.620 6.063 72 HD1 HIS 12 1HD HIS 12 -1.710 -0.574 8.244 73 HD2 HIS 12 2HD HIS 12 -1.865 -4.290 6.414 74 HE1 HIS 12 1HE HIS 12 -0.807 -2.201 9.938 75 HE2 HIS 12 2HE HIS 12 -1.169 -4.474 8.886 76 H SER 13 H SER 13 -4.497 -3.184 2.633 77 HA SER 13 HA SER 13 -3.913 -1.049 0.923 78 1HB SER 13 2HB SER 13 -6.029 -3.195 0.744 79 2HB SER 13 1HB SER 13 -5.717 -2.038 -0.550 80 HG SER 13 HG SER 13 -4.168 -4.175 0.357 81 H ASN 14 H ASN 14 -6.747 -1.667 2.909 82 HA ASN 14 HA ASN 14 -8.356 0.400 1.866 83 1HB ASN 14 2HB ASN 14 -9.343 -1.413 3.122 84 2HB ASN 14 1HB ASN 14 -8.400 -0.995 4.546 85 1HD2 ASN 14 1HD2 ASN 14 -11.291 -0.531 2.868 86 2HD2 ASN 14 2HD2 ASN 14 -11.946 0.728 3.852 87 H LEU 15 H LEU 15 -6.104 0.298 4.566 88 HA LEU 15 HA LEU 15 -6.645 2.969 5.418 89 1HB LEU 15 2HB LEU 15 -4.337 1.149 6.087 90 2HB LEU 15 1HB LEU 15 -4.716 2.649 6.910 91 HG LEU 15 HG LEU 15 -6.474 0.195 6.859 92 1HD1 LEU 15 1HD1 LEU 15 -4.959 1.351 9.184 93 2HD1 LEU 15 2HD1 LEU 15 -4.328 0.051 8.174 94 3HD1 LEU 15 3HD1 LEU 15 -5.812 -0.191 9.096 95 1HD2 LEU 15 1HD2 LEU 15 -8.053 1.759 7.254 96 2HD2 LEU 15 2HD2 LEU 15 -6.879 2.971 7.766 97 3HD2 LEU 15 3HD2 LEU 15 -7.390 1.709 8.887 98 H CYS 16 H CYS 16 -3.972 1.445 3.679 99 HA CYS 16 HA CYS 16 -2.485 3.847 3.378 100 1HB CYS 16 2HB CYS 16 -2.316 1.207 1.925 101 2HB CYS 16 1HB CYS 16 -1.165 2.523 1.716 102 H GLY 17 H GLY 17 -4.813 2.162 1.329 103 1HA GLY 17 2HA GLY 17 -5.895 2.821 -0.582 104 2HA GLY 17 1HA GLY 17 -5.547 4.473 -0.087 105 H ALA 18 H ALA 18 -4.761 5.453 -1.846 106 HA ALA 18 HA ALA 18 -2.854 4.042 -3.548 107 1HB ALA 18 1HB ALA 18 -4.229 5.067 -5.022 108 2HB ALA 18 2HB ALA 18 -3.128 6.420 -4.763 109 3HB ALA 18 3HB ALA 18 -4.661 6.351 -3.894 110 H GLY 19 H GLY 19 -2.477 5.398 -0.757 111 1HA GLY 19 2HA GLY 19 -0.439 6.053 0.201 112 2HA GLY 19 1HA GLY 19 0.166 6.443 -1.403 113 H GLY 20 H GLY 20 0.655 8.176 0.639 114 1HA GLY 20 2HA GLY 20 -0.740 10.536 -0.303 115 2HA GLY 20 1HA GLY 20 -1.003 10.146 1.391 116 H ALA 21 H ALA 21 0.030 11.994 2.159 117 HA ALA 21 HA ALA 21 2.737 12.596 1.360 118 1HB ALA 21 1HB ALA 21 1.757 14.576 1.835 119 2HB ALA 21 2HB ALA 21 2.351 14.218 3.458 120 3HB ALA 21 3HB ALA 21 0.673 13.876 3.038 121 H ALA 22 H ALA 22 2.492 10.014 2.458 122 HA ALA 22 HA ALA 22 4.639 9.988 4.276 123 1HB ALA 22 1HB ALA 22 2.332 8.878 5.736 124 2HB ALA 22 2HB ALA 22 2.384 10.639 5.627 125 3HB ALA 22 3HB ALA 22 3.738 9.758 6.335 126 H GLY 23 H GLY 23 5.594 8.042 4.133 127 1HA GLY 23 2HA GLY 23 4.173 5.959 2.659 128 2HA GLY 23 1HA GLY 23 5.905 6.018 2.962 Start of MODEL 5 1 1H GLY 1 H GLY 1 6.670 4.726 5.599 2 1HA GLY 1 2HA GLY 1 6.790 3.037 7.149 3 2HA GLY 1 1HA GLY 1 5.193 3.551 7.655 4 H CYS 2 H CYS 2 3.591 2.225 7.383 5 HA CYS 2 HA CYS 2 3.889 -0.423 6.545 6 1HB CYS 2 2HB CYS 2 2.123 0.326 8.072 7 2HB CYS 2 1HB CYS 2 1.372 1.240 6.777 8 H CYS 3 H CYS 3 2.544 2.388 4.898 9 HA CYS 3 HA CYS 3 1.687 1.044 2.583 10 1HB CYS 3 2HB CYS 3 2.528 3.937 2.808 11 2HB CYS 3 1HB CYS 3 1.482 3.239 1.575 12 H SER 4 H SER 4 4.812 2.310 3.489 13 HA SER 4 HA SER 4 5.952 2.230 0.884 14 1HB SER 4 2HB SER 4 7.330 2.117 3.578 15 2HB SER 4 1HB SER 4 8.092 2.507 2.036 16 HG SER 4 HG SER 4 7.230 4.449 2.077 17 H ASN 5 H ASN 5 5.220 -0.134 3.238 18 HA ASN 5 HA ASN 5 7.101 -2.081 2.135 19 1HB ASN 5 2HB ASN 5 5.295 -2.027 4.529 20 2HB ASN 5 1HB ASN 5 5.872 -3.569 3.909 21 1HD2 ASN 5 1HD2 ASN 5 6.539 -1.006 5.934 22 2HD2 ASN 5 2HD2 ASN 5 8.213 -1.327 6.213 23 HA PRO 6 HA PRO 6 4.124 -3.421 -0.877 24 1HB PRO 6 2HB PRO 6 5.247 -5.952 -1.202 25 2HB PRO 6 1HB PRO 6 5.702 -4.499 -2.094 26 1HG PRO 6 2HG PRO 6 7.001 -5.754 0.280 27 2HG PRO 6 1HG PRO 6 7.743 -4.952 -1.115 28 1HD PRO 6 2HD PRO 6 7.557 -3.730 1.262 29 2HD PRO 6 1HD PRO 6 7.357 -2.830 -0.258 30 H VAL 7 H VAL 7 5.110 -5.777 1.619 31 HA VAL 7 HA VAL 7 2.753 -7.330 1.459 32 HB VAL 7 HB VAL 7 4.664 -7.055 3.788 33 1HG1 VAL 7 1HG1 VAL 7 2.845 -9.371 3.169 34 2HG1 VAL 7 2HG1 VAL 7 2.399 -8.064 4.266 35 3HG1 VAL 7 3HG1 VAL 7 3.789 -9.086 4.632 36 1HG2 VAL 7 1HG2 VAL 7 5.950 -7.772 1.954 37 2HG2 VAL 7 2HG2 VAL 7 4.669 -8.831 1.364 38 3HG2 VAL 7 3HG2 VAL 7 5.548 -9.244 2.836 39 H CYS 8 H CYS 8 3.770 -4.804 3.732 40 HA CYS 8 HA CYS 8 1.445 -4.826 5.316 41 1HB CYS 8 2HB CYS 8 3.779 -3.674 5.666 42 2HB CYS 8 1HB CYS 8 3.007 -2.309 4.874 43 H HIS 9 H HIS 9 2.314 -3.110 2.386 44 HA HIS 9 HA HIS 9 0.209 -1.278 2.241 45 1HB HIS 9 2HB HIS 9 2.220 -1.335 0.745 46 2HB HIS 9 1HB HIS 9 1.500 -2.697 -0.093 47 HD1 HIS 9 1HD HIS 9 0.320 0.809 0.842 48 HD2 HIS 9 2HD HIS 9 0.225 -1.885 -2.318 49 HE1 HIS 9 1HE HIS 9 -0.930 1.977 -0.998 50 HE2 HIS 9 2HE HIS 9 -1.131 0.257 -2.827 51 H LEU 10 H LEU 10 0.447 -4.589 1.029 52 HA LEU 10 HA LEU 10 -2.138 -4.635 -0.147 53 1HB LEU 10 2HB LEU 10 -0.419 -6.922 0.823 54 2HB LEU 10 1HB LEU 10 -1.841 -7.088 -0.190 55 HG LEU 10 HG LEU 10 0.704 -5.659 -0.969 56 1HD1 LEU 10 1HD1 LEU 10 1.451 -7.556 -1.882 57 2HD1 LEU 10 2HD1 LEU 10 -0.143 -8.001 -2.490 58 3HD1 LEU 10 3HD1 LEU 10 0.294 -8.359 -0.819 59 1HD2 LEU 10 1HD2 LEU 10 -1.031 -6.359 -3.140 60 2HD2 LEU 10 2HD2 LEU 10 -0.404 -4.777 -2.677 61 3HD2 LEU 10 3HD2 LEU 10 -1.905 -5.373 -1.969 62 H GLU 11 H GLU 11 -0.867 -5.848 2.916 63 HA GLU 11 HA GLU 11 -3.172 -6.956 4.005 64 1HB GLU 11 2HB GLU 11 -0.960 -7.273 4.974 65 2HB GLU 11 1HB GLU 11 -0.845 -5.564 5.343 66 1HG GLU 11 2HG GLU 11 -1.325 -6.633 7.369 67 2HG GLU 11 1HG GLU 11 -2.829 -5.873 6.858 68 H HIS 12 H HIS 12 -1.970 -3.648 4.136 69 HA HIS 12 HA HIS 12 -4.547 -2.832 5.306 70 1HB HIS 12 2HB HIS 12 -1.849 -1.502 5.642 71 2HB HIS 12 1HB HIS 12 -3.357 -1.003 6.407 72 HD1 HIS 12 1HD HIS 12 -4.432 -2.975 8.020 73 HD2 HIS 12 2HD HIS 12 -0.391 -3.255 7.119 74 HE1 HIS 12 1HE HIS 12 -3.469 -4.520 9.745 75 HE2 HIS 12 2HE HIS 12 -1.083 -4.857 9.021 76 H SER 13 H SER 13 -4.433 -3.113 2.621 77 HA SER 13 HA SER 13 -3.593 -0.893 1.137 78 1HB SER 13 2HB SER 13 -4.297 -3.130 0.216 79 2HB SER 13 1HB SER 13 -5.971 -2.656 0.503 80 HG SER 13 HG SER 13 -5.868 -1.694 -1.350 81 H ASN 14 H ASN 14 -6.569 -1.519 2.890 82 HA ASN 14 HA ASN 14 -8.082 0.647 1.934 83 1HB ASN 14 2HB ASN 14 -9.031 -1.259 3.208 84 2HB ASN 14 1HB ASN 14 -8.230 -0.664 4.657 85 1HD2 ASN 14 1HD2 ASN 14 -9.494 0.451 5.956 86 2HD2 ASN 14 2HD2 ASN 14 -10.857 1.397 5.485 87 H LEU 15 H LEU 15 -5.693 0.389 4.473 88 HA LEU 15 HA LEU 15 -6.181 2.930 5.645 89 1HB LEU 15 2HB LEU 15 -3.855 1.028 5.761 90 2HB LEU 15 1HB LEU 15 -3.794 2.594 6.542 91 HG LEU 15 HG LEU 15 -4.360 0.980 8.201 92 1HD1 LEU 15 1HD1 LEU 15 -5.761 2.425 9.109 93 2HD1 LEU 15 2HD1 LEU 15 -7.076 1.803 8.111 94 3HD1 LEU 15 3HD1 LEU 15 -6.069 3.125 7.519 95 1HD2 LEU 15 1HD2 LEU 15 -6.743 -0.166 7.750 96 2HD2 LEU 15 2HD2 LEU 15 -5.206 -0.929 7.343 97 3HD2 LEU 15 3HD2 LEU 15 -6.132 -0.090 6.098 98 H CYS 16 H CYS 16 -3.999 1.750 3.164 99 HA CYS 16 HA CYS 16 -2.917 4.427 2.736 100 1HB CYS 16 2HB CYS 16 -2.287 1.902 1.206 101 2HB CYS 16 1HB CYS 16 -1.345 3.385 1.246 102 H GLY 17 H GLY 17 -5.669 4.094 2.250 103 1HA GLY 17 2HA GLY 17 -6.281 3.586 -0.460 104 2HA GLY 17 1HA GLY 17 -7.294 4.461 0.677 105 H ALA 18 H ALA 18 -5.625 4.675 -2.138 106 HA ALA 18 HA ALA 18 -4.987 6.330 -3.546 107 1HB ALA 18 1HB ALA 18 -6.430 8.534 -2.372 108 2HB ALA 18 2HB ALA 18 -7.423 7.078 -2.427 109 3HB ALA 18 3HB ALA 18 -6.693 7.703 -3.906 110 H GLY 19 H GLY 19 -3.321 5.934 -1.227 111 1HA GLY 19 2HA GLY 19 -1.499 7.973 -1.509 112 2HA GLY 19 1HA GLY 19 -2.536 8.470 -0.180 113 H GLY 20 H GLY 20 -1.316 8.217 1.579 114 1HA GLY 20 2HA GLY 20 -0.776 5.623 2.564 115 2HA GLY 20 1HA GLY 20 0.707 6.350 1.962 116 H ALA 21 H ALA 21 -0.373 5.641 4.705 117 HA ALA 21 HA ALA 21 -0.659 8.123 6.102 118 1HB ALA 21 1HB ALA 21 -1.129 5.426 6.669 119 2HB ALA 21 2HB ALA 21 -1.422 6.809 7.722 120 3HB ALA 21 3HB ALA 21 0.110 5.941 7.812 121 H ALA 22 H ALA 22 1.384 8.922 4.984 122 HA ALA 22 HA ALA 22 3.512 9.691 5.117 123 1HB ALA 22 1HB ALA 22 3.360 10.599 7.185 124 2HB ALA 22 2HB ALA 22 4.538 9.341 7.560 125 3HB ALA 22 3HB ALA 22 2.833 9.091 7.932 126 H GLY 23 H GLY 23 3.227 7.185 4.025 127 1HA GLY 23 2HA GLY 23 4.601 5.499 3.266 128 2HA GLY 23 1HA GLY 23 5.889 6.186 4.246 Start of MODEL 6 1 1H GLY 1 H GLY 1 7.050 4.573 5.316 2 1HA GLY 1 2HA GLY 1 7.187 3.055 7.039 3 2HA GLY 1 1HA GLY 1 5.613 3.623 7.564 4 H CYS 2 H CYS 2 3.976 2.311 7.391 5 HA CYS 2 HA CYS 2 4.226 -0.376 6.643 6 1HB CYS 2 2HB CYS 2 2.523 0.268 8.197 7 2HB CYS 2 1HB CYS 2 1.804 1.377 7.046 8 H CYS 3 H CYS 3 2.689 2.341 4.992 9 HA CYS 3 HA CYS 3 1.818 0.908 2.753 10 1HB CYS 3 2HB CYS 3 2.502 3.846 2.905 11 2HB CYS 3 1HB CYS 3 1.458 3.073 1.714 12 H SER 4 H SER 4 4.932 2.299 3.486 13 HA SER 4 HA SER 4 5.962 2.230 0.840 14 1HB SER 4 2HB SER 4 7.455 2.080 3.471 15 2HB SER 4 1HB SER 4 8.164 2.455 1.901 16 HG SER 4 HG SER 4 6.556 4.241 1.885 17 H ASN 5 H ASN 5 5.400 -0.132 3.258 18 HA ASN 5 HA ASN 5 7.161 -2.102 2.026 19 1HB ASN 5 2HB ASN 5 5.503 -2.026 4.524 20 2HB ASN 5 1HB ASN 5 6.016 -3.578 3.868 21 1HD2 ASN 5 1HD2 ASN 5 6.848 -1.024 5.847 22 2HD2 ASN 5 2HD2 ASN 5 8.529 -1.374 6.027 23 HA PRO 6 HA PRO 6 3.986 -3.357 -0.823 24 1HB PRO 6 2HB PRO 6 5.579 -5.872 -0.790 25 2HB PRO 6 1HB PRO 6 5.043 -4.895 -2.162 26 1HG PRO 6 2HG PRO 6 7.580 -4.827 -1.367 27 2HG PRO 6 1HG PRO 6 6.755 -3.348 -1.900 28 1HD PRO 6 2HD PRO 6 7.414 -4.263 0.869 29 2HD PRO 6 1HD PRO 6 7.443 -2.624 0.183 30 H VAL 7 H VAL 7 5.130 -5.708 1.601 31 HA VAL 7 HA VAL 7 2.832 -7.337 1.547 32 HB VAL 7 HB VAL 7 4.759 -6.948 3.844 33 1HG1 VAL 7 1HG1 VAL 7 2.738 -8.084 4.541 34 2HG1 VAL 7 2HG1 VAL 7 4.078 -9.231 4.479 35 3HG1 VAL 7 3HG1 VAL 7 2.875 -9.211 3.190 36 1HG2 VAL 7 1HG2 VAL 7 6.304 -7.916 2.577 37 2HG2 VAL 7 2HG2 VAL 7 5.159 -8.073 1.245 38 3HG2 VAL 7 3HG2 VAL 7 5.279 -9.345 2.460 39 H CYS 8 H CYS 8 3.801 -4.742 3.764 40 HA CYS 8 HA CYS 8 1.493 -4.832 5.387 41 1HB CYS 8 2HB CYS 8 3.790 -3.624 5.741 42 2HB CYS 8 1HB CYS 8 3.005 -2.292 4.910 43 H HIS 9 H HIS 9 2.315 -3.023 2.479 44 HA HIS 9 HA HIS 9 0.098 -1.304 2.403 45 1HB HIS 9 2HB HIS 9 2.216 -1.280 0.939 46 2HB HIS 9 1HB HIS 9 1.379 -2.453 -0.067 47 HD1 HIS 9 1HD HIS 9 -1.346 -1.393 -0.447 48 HD2 HIS 9 2HD HIS 9 1.950 1.134 -0.232 49 HE1 HIS 9 1HE HIS 9 -2.043 0.731 -1.601 50 HE2 HIS 9 2HE HIS 9 -0.092 2.297 -1.301 51 H LEU 10 H LEU 10 0.564 -4.557 1.097 52 HA LEU 10 HA LEU 10 -1.892 -4.730 -0.271 53 1HB LEU 10 2HB LEU 10 -0.163 -6.893 0.928 54 2HB LEU 10 1HB LEU 10 -1.555 -7.209 -0.089 55 HG LEU 10 HG LEU 10 0.927 -5.713 -0.940 56 1HD1 LEU 10 1HD1 LEU 10 0.394 -8.107 -2.405 57 2HD1 LEU 10 2HD1 LEU 10 0.463 -8.477 -0.682 58 3HD1 LEU 10 3HD1 LEU 10 1.822 -7.670 -1.467 59 1HD2 LEU 10 1HD2 LEU 10 -0.154 -5.078 -2.778 60 2HD2 LEU 10 2HD2 LEU 10 -1.648 -5.574 -1.983 61 3HD2 LEU 10 3HD2 LEU 10 -0.795 -6.700 -3.040 62 H GLU 11 H GLU 11 -0.959 -5.751 2.992 63 HA GLU 11 HA GLU 11 -3.503 -6.764 3.710 64 1HB GLU 11 2HB GLU 11 -1.421 -7.374 4.883 65 2HB GLU 11 1HB GLU 11 -1.275 -5.725 5.472 66 1HG GLU 11 2HG GLU 11 -3.645 -6.182 6.471 67 2HG GLU 11 1HG GLU 11 -3.169 -7.870 6.294 68 H HIS 12 H HIS 12 -1.908 -3.654 4.240 69 HA HIS 12 HA HIS 12 -4.375 -2.573 5.389 70 1HB HIS 12 2HB HIS 12 -1.685 -1.204 5.150 71 2HB HIS 12 1HB HIS 12 -3.063 -0.655 6.092 72 HD1 HIS 12 1HD HIS 12 -1.607 -0.663 8.257 73 HD2 HIS 12 2HD HIS 12 -1.952 -4.368 6.433 74 HE1 HIS 12 1HE HIS 12 -0.766 -2.331 9.947 75 HE2 HIS 12 2HE HIS 12 -0.952 -4.574 8.793 76 H SER 13 H SER 13 -4.593 -3.143 2.690 77 HA SER 13 HA SER 13 -3.955 -1.016 0.971 78 1HB SER 13 2HB SER 13 -6.135 -3.102 0.816 79 2HB SER 13 1HB SER 13 -5.799 -1.953 -0.480 80 HG SER 13 HG SER 13 -4.290 -4.130 0.422 81 H ASN 14 H ASN 14 -6.738 -1.583 3.044 82 HA ASN 14 HA ASN 14 -8.354 0.518 2.086 83 1HB ASN 14 2HB ASN 14 -8.278 -0.738 4.838 84 2HB ASN 14 1HB ASN 14 -9.558 0.313 4.242 85 1HD2 ASN 14 1HD2 ASN 14 -11.278 -0.707 3.533 86 2HD2 ASN 14 2HD2 ASN 14 -11.318 -2.297 2.862 87 H LEU 15 H LEU 15 -5.855 0.368 4.536 88 HA LEU 15 HA LEU 15 -6.261 3.029 5.488 89 1HB LEU 15 2HB LEU 15 -3.888 1.189 5.792 90 2HB LEU 15 1HB LEU 15 -4.111 2.696 6.659 91 HG LEU 15 HG LEU 15 -5.861 0.247 6.902 92 1HD1 LEU 15 1HD1 LEU 15 -3.393 0.622 7.982 93 2HD1 LEU 15 2HD1 LEU 15 -4.663 -0.378 8.688 94 3HD1 LEU 15 3HD1 LEU 15 -4.436 1.281 9.243 95 1HD2 LEU 15 1HD2 LEU 15 -7.365 1.876 7.418 96 2HD2 LEU 15 2HD2 LEU 15 -6.121 3.035 7.886 97 3HD2 LEU 15 3HD2 LEU 15 -6.569 1.731 8.985 98 H CYS 16 H CYS 16 -3.847 1.493 3.421 99 HA CYS 16 HA CYS 16 -2.664 4.032 2.695 100 1HB CYS 16 2HB CYS 16 -2.155 1.296 1.531 101 2HB CYS 16 1HB CYS 16 -1.143 2.717 1.334 102 H GLY 17 H GLY 17 -5.284 4.075 2.117 103 1HA GLY 17 2HA GLY 17 -6.187 3.218 -0.358 104 2HA GLY 17 1HA GLY 17 -6.760 4.660 0.464 105 H ALA 18 H ALA 18 -5.995 3.843 -2.397 106 HA ALA 18 HA ALA 18 -5.186 4.818 -4.276 107 1HB ALA 18 1HB ALA 18 -4.716 7.460 -3.069 108 2HB ALA 18 2HB ALA 18 -6.353 6.828 -2.900 109 3HB ALA 18 3HB ALA 18 -5.640 7.011 -4.502 110 H GLY 19 H GLY 19 -3.363 3.742 -2.166 111 1HA GLY 19 2HA GLY 19 -1.103 3.352 -2.036 112 2HA GLY 19 1HA GLY 19 -0.906 4.355 -3.464 113 H GLY 20 H GLY 20 -2.570 5.840 -0.872 114 1HA GLY 20 2HA GLY 20 -0.242 7.553 -0.405 115 2HA GLY 20 1HA GLY 20 -1.906 7.930 0.014 116 H ALA 21 H ALA 21 -1.842 8.313 2.109 117 HA ALA 21 HA ALA 21 -1.750 8.004 4.342 118 1HB ALA 21 1HB ALA 21 -1.314 5.086 3.733 119 2HB ALA 21 2HB ALA 21 -2.888 5.876 3.827 120 3HB ALA 21 3HB ALA 21 -1.861 5.782 5.259 121 H ALA 22 H ALA 22 0.571 8.780 2.994 122 HA ALA 22 HA ALA 22 2.774 9.188 3.343 123 1HB ALA 22 1HB ALA 22 2.999 9.793 5.458 124 2HB ALA 22 2HB ALA 22 3.267 8.108 5.902 125 3HB ALA 22 3HB ALA 22 1.634 8.775 5.916 126 H GLY 23 H GLY 23 4.549 7.644 5.039 127 1HA GLY 23 2HA GLY 23 4.965 5.395 3.194 128 2HA GLY 23 1HA GLY 23 6.225 6.190 4.126 Start of MODEL 7 1 1H GLY 1 H GLY 1 6.150 3.170 8.637 2 1HA GLY 1 2HA GLY 1 6.546 3.381 5.756 3 2HA GLY 1 1HA GLY 1 7.468 2.392 6.869 4 H CYS 2 H CYS 2 4.072 2.266 7.081 5 HA CYS 2 HA CYS 2 4.025 -0.526 6.530 6 1HB CYS 2 2HB CYS 2 2.446 0.412 8.109 7 2HB CYS 2 1HB CYS 2 1.780 1.469 6.874 8 H CYS 3 H CYS 3 2.626 2.270 4.839 9 HA CYS 3 HA CYS 3 1.761 0.775 2.608 10 1HB CYS 3 2HB CYS 3 2.365 3.735 2.723 11 2HB CYS 3 1HB CYS 3 1.339 2.914 1.546 12 H SER 4 H SER 4 4.781 2.220 3.438 13 HA SER 4 HA SER 4 5.941 2.246 0.852 14 1HB SER 4 2HB SER 4 7.459 1.934 3.440 15 2HB SER 4 1HB SER 4 7.976 2.746 1.960 16 HG SER 4 HG SER 4 6.975 4.495 2.576 17 H ASN 5 H ASN 5 5.375 -0.167 3.237 18 HA ASN 5 HA ASN 5 7.193 -2.078 1.978 19 1HB ASN 5 2HB ASN 5 5.720 -1.958 4.561 20 2HB ASN 5 1HB ASN 5 6.031 -3.553 3.883 21 1HD2 ASN 5 1HD2 ASN 5 7.285 -1.007 5.679 22 2HD2 ASN 5 2HD2 ASN 5 8.930 -1.538 5.741 23 HA PRO 6 HA PRO 6 4.020 -3.523 -0.749 24 1HB PRO 6 2HB PRO 6 5.132 -6.057 -1.088 25 2HB PRO 6 1HB PRO 6 5.510 -4.625 -2.048 26 1HG PRO 6 2HG PRO 6 6.986 -5.808 0.258 27 2HG PRO 6 1HG PRO 6 7.620 -5.040 -1.209 28 1HD PRO 6 2HD PRO 6 7.597 -3.754 1.140 29 2HD PRO 6 1HD PRO 6 7.277 -2.897 -0.383 30 H VAL 7 H VAL 7 5.145 -5.684 1.853 31 HA VAL 7 HA VAL 7 2.882 -7.370 1.826 32 HB VAL 7 HB VAL 7 4.736 -6.802 4.146 33 1HG1 VAL 7 1HG1 VAL 7 3.892 -8.634 5.226 34 2HG1 VAL 7 2HG1 VAL 7 3.361 -9.409 3.733 35 3HG1 VAL 7 3HG1 VAL 7 2.438 -8.065 4.405 36 1HG2 VAL 7 1HG2 VAL 7 4.932 -8.761 1.869 37 2HG2 VAL 7 2HG2 VAL 7 5.861 -8.915 3.362 38 3HG2 VAL 7 3HG2 VAL 7 6.083 -7.505 2.325 39 H CYS 8 H CYS 8 3.744 -4.664 3.961 40 HA CYS 8 HA CYS 8 1.329 -4.725 5.440 41 1HB CYS 8 2HB CYS 8 3.614 -3.554 5.954 42 2HB CYS 8 1HB CYS 8 2.906 -2.210 5.074 43 H HIS 9 H HIS 9 2.369 -3.013 2.563 44 HA HIS 9 HA HIS 9 0.250 -1.202 2.309 45 1HB HIS 9 2HB HIS 9 2.422 -1.286 0.985 46 2HB HIS 9 1HB HIS 9 1.670 -2.529 0.002 47 HD1 HIS 9 1HD HIS 9 2.485 -0.176 -1.535 48 HD2 HIS 9 2HD HIS 9 -1.176 -0.293 0.428 49 HE1 HIS 9 1HE HIS 9 1.029 1.488 -2.729 50 HE2 HIS 9 2HE HIS 9 -1.230 1.262 -1.637 51 H LEU 10 H LEU 10 0.625 -4.473 0.968 52 HA LEU 10 HA LEU 10 -1.846 -4.529 -0.390 53 1HB LEU 10 2HB LEU 10 -0.164 -6.782 0.705 54 2HB LEU 10 1HB LEU 10 -1.565 -7.019 -0.321 55 HG LEU 10 HG LEU 10 0.965 -5.567 -1.105 56 1HD1 LEU 10 1HD1 LEU 10 0.467 -7.762 -2.772 57 2HD1 LEU 10 2HD1 LEU 10 0.242 -8.344 -1.122 58 3HD1 LEU 10 3HD1 LEU 10 1.762 -7.580 -1.587 59 1HD2 LEU 10 1HD2 LEU 10 0.039 -5.211 -3.216 60 2HD2 LEU 10 2HD2 LEU 10 -1.271 -4.802 -2.109 61 3HD2 LEU 10 3HD2 LEU 10 -1.270 -6.358 -2.939 62 H GLU 11 H GLU 11 -0.919 -5.660 2.831 63 HA GLU 11 HA GLU 11 -3.451 -6.685 3.545 64 1HB GLU 11 2HB GLU 11 -1.404 -7.327 4.712 65 2HB GLU 11 1HB GLU 11 -1.173 -5.675 5.260 66 1HG GLU 11 2HG GLU 11 -2.025 -7.054 7.047 67 2HG GLU 11 1HG GLU 11 -3.212 -5.833 6.594 68 H HIS 12 H HIS 12 -1.870 -3.586 4.214 69 HA HIS 12 HA HIS 12 -4.358 -2.542 5.329 70 1HB HIS 12 2HB HIS 12 -1.635 -1.237 5.140 71 2HB HIS 12 1HB HIS 12 -3.036 -0.558 5.955 72 HD1 HIS 12 1HD HIS 12 -1.839 -0.511 8.231 73 HD2 HIS 12 2HD HIS 12 -2.055 -4.301 6.551 74 HE1 HIS 12 1HE HIS 12 -1.181 -2.098 10.066 75 HE2 HIS 12 2HE HIS 12 -1.484 -4.393 9.070 76 H SER 13 H SER 13 -4.513 -3.091 2.596 77 HA SER 13 HA SER 13 -3.959 -0.890 0.936 78 1HB SER 13 2HB SER 13 -6.062 -3.053 0.724 79 2HB SER 13 1HB SER 13 -5.774 -1.856 -0.539 80 HG SER 13 HG SER 13 -4.159 -3.984 0.320 81 H ASN 14 H ASN 14 -6.584 -1.623 3.086 82 HA ASN 14 HA ASN 14 -8.347 0.434 2.246 83 1HB ASN 14 2HB ASN 14 -9.164 -0.029 4.772 84 2HB ASN 14 1HB ASN 14 -9.572 -1.079 3.419 85 1HD2 ASN 14 1HD2 ASN 14 -9.522 -3.094 4.126 86 2HD2 ASN 14 2HD2 ASN 14 -8.265 -3.805 5.079 87 H LEU 15 H LEU 15 -5.672 0.323 4.494 88 HA LEU 15 HA LEU 15 -6.332 2.857 5.696 89 1HB LEU 15 2HB LEU 15 -4.000 0.996 5.947 90 2HB LEU 15 1HB LEU 15 -3.891 2.628 6.569 91 HG LEU 15 HG LEU 15 -4.456 1.273 8.406 92 1HD1 LEU 15 1HD1 LEU 15 -6.303 3.200 7.423 93 2HD1 LEU 15 2HD1 LEU 15 -5.889 2.804 9.091 94 3HD1 LEU 15 3HD1 LEU 15 -7.191 1.936 8.276 95 1HD2 LEU 15 1HD2 LEU 15 -5.732 -0.572 8.394 96 2HD2 LEU 15 2HD2 LEU 15 -5.458 -0.507 6.653 97 3HD2 LEU 15 3HD2 LEU 15 -6.948 0.143 7.336 98 H CYS 16 H CYS 16 -3.945 1.691 3.378 99 HA CYS 16 HA CYS 16 -2.760 4.262 3.007 100 1HB CYS 16 2HB CYS 16 -2.572 1.850 1.195 101 2HB CYS 16 1HB CYS 16 -1.485 3.230 1.225 102 H GLY 17 H GLY 17 -5.191 2.379 1.256 103 1HA GLY 17 2HA GLY 17 -5.400 4.344 -0.850 104 2HA GLY 17 1HA GLY 17 -6.411 2.920 -0.638 105 H ALA 18 H ALA 18 -6.454 6.178 -0.666 106 HA ALA 18 HA ALA 18 -7.912 7.794 -0.030 107 1HB ALA 18 1HB ALA 18 -9.824 6.976 -0.855 108 2HB ALA 18 2HB ALA 18 -10.219 6.594 0.822 109 3HB ALA 18 3HB ALA 18 -9.514 5.359 -0.222 110 H GLY 19 H GLY 19 -6.064 6.953 1.896 111 1HA GLY 19 2HA GLY 19 -7.475 7.796 4.306 112 2HA GLY 19 1HA GLY 19 -6.617 6.263 4.376 113 H GLY 20 H GLY 20 -4.434 6.249 4.664 114 1HA GLY 20 2HA GLY 20 -2.812 8.547 4.133 115 2HA GLY 20 1HA GLY 20 -3.158 8.379 5.847 116 H ALA 21 H ALA 21 -0.667 8.122 4.201 117 HA ALA 21 HA ALA 21 0.120 5.376 4.331 118 1HB ALA 21 1HB ALA 21 2.406 7.042 4.250 119 2HB ALA 21 2HB ALA 21 1.168 7.790 3.242 120 3HB ALA 21 3HB ALA 21 1.671 6.129 2.932 121 H ALA 22 H ALA 22 -0.375 4.858 6.509 122 HA ALA 22 HA ALA 22 0.745 6.205 8.728 123 1HB ALA 22 1HB ALA 22 0.233 3.839 9.801 124 2HB ALA 22 2HB ALA 22 -0.670 3.632 8.300 125 3HB ALA 22 3HB ALA 22 -1.053 4.971 9.383 126 H GLY 23 H GLY 23 2.897 6.451 8.752 127 1HA GLY 23 2HA GLY 23 5.112 5.941 9.008 128 2HA GLY 23 1HA GLY 23 4.570 4.381 9.608 Start of MODEL 8 1 1H GLY 1 H GLY 1 5.372 4.623 4.224 2 1HA GLY 1 2HA GLY 1 6.807 4.471 6.702 3 2HA GLY 1 1HA GLY 1 5.073 4.638 6.938 4 H CYS 2 H CYS 2 4.241 2.730 7.428 5 HA CYS 2 HA CYS 2 5.425 0.247 6.834 6 1HB CYS 2 2HB CYS 2 3.721 0.815 8.664 7 2HB CYS 2 1HB CYS 2 2.492 0.642 7.418 8 H CYS 3 H CYS 3 2.716 1.960 5.274 9 HA CYS 3 HA CYS 3 2.132 -0.089 3.445 10 1HB CYS 3 2HB CYS 3 1.382 2.758 3.698 11 2HB CYS 3 1HB CYS 3 1.193 2.023 2.107 12 H SER 4 H SER 4 4.857 1.874 3.544 13 HA SER 4 HA SER 4 5.319 2.114 0.735 14 1HB SER 4 2HB SER 4 7.315 2.130 3.019 15 2HB SER 4 1HB SER 4 7.624 2.677 1.370 16 HG SER 4 HG SER 4 7.085 4.515 2.329 17 H ASN 5 H ASN 5 5.575 -0.327 3.103 18 HA ASN 5 HA ASN 5 7.282 -2.065 1.515 19 1HB ASN 5 2HB ASN 5 6.154 -2.109 4.282 20 2HB ASN 5 1HB ASN 5 6.502 -3.661 3.519 21 1HD2 ASN 5 1HD2 ASN 5 7.742 -1.339 5.456 22 2HD2 ASN 5 2HD2 ASN 5 9.427 -1.619 5.206 23 HA PRO 6 HA PRO 6 3.950 -3.697 -0.904 24 1HB PRO 6 2HB PRO 6 5.601 -6.174 -0.694 25 2HB PRO 6 1HB PRO 6 4.897 -5.407 -2.123 26 1HG PRO 6 2HG PRO 6 7.487 -5.146 -1.601 27 2HG PRO 6 1HG PRO 6 6.547 -3.776 -2.223 28 1HD PRO 6 2HD PRO 6 7.553 -4.291 0.537 29 2HD PRO 6 1HD PRO 6 7.361 -2.753 -0.328 30 H VAL 7 H VAL 7 5.200 -5.742 1.734 31 HA VAL 7 HA VAL 7 2.962 -7.436 1.912 32 HB VAL 7 HB VAL 7 4.898 -6.685 4.112 33 1HG1 VAL 7 1HG1 VAL 7 2.894 -7.756 4.978 34 2HG1 VAL 7 2HG1 VAL 7 4.277 -8.844 5.097 35 3HG1 VAL 7 3HG1 VAL 7 3.080 -9.075 3.823 36 1HG2 VAL 7 1HG2 VAL 7 6.331 -8.351 3.394 37 2HG2 VAL 7 2HG2 VAL 7 5.769 -7.666 1.869 38 3HG2 VAL 7 3HG2 VAL 7 5.077 -9.175 2.467 39 H CYS 8 H CYS 8 3.840 -4.560 3.796 40 HA CYS 8 HA CYS 8 1.470 -4.561 5.366 41 1HB CYS 8 2HB CYS 8 3.711 -3.363 5.808 42 2HB CYS 8 1HB CYS 8 3.085 -2.109 4.754 43 H HIS 9 H HIS 9 2.432 -3.019 2.373 44 HA HIS 9 HA HIS 9 0.331 -1.216 2.036 45 1HB HIS 9 2HB HIS 9 2.417 -1.468 0.601 46 2HB HIS 9 1HB HIS 9 1.591 -2.786 -0.213 47 HD1 HIS 9 1HD HIS 9 -1.138 -1.728 -0.785 48 HD2 HIS 9 2HD HIS 9 2.257 0.665 -1.045 49 HE1 HIS 9 1HE HIS 9 -1.751 0.151 -2.340 50 HE2 HIS 9 2HE HIS 9 0.340 1.541 -2.544 51 H LEU 10 H LEU 10 0.585 -4.606 1.053 52 HA LEU 10 HA LEU 10 -1.885 -4.784 -0.269 53 1HB LEU 10 2HB LEU 10 -0.089 -6.459 -0.458 54 2HB LEU 10 1HB LEU 10 -0.369 -6.944 1.203 55 HG LEU 10 HG LEU 10 -2.656 -7.677 0.569 56 1HD1 LEU 10 1HD1 LEU 10 -3.067 -6.274 -1.335 57 2HD1 LEU 10 2HD1 LEU 10 -3.137 -7.960 -1.846 58 3HD1 LEU 10 3HD1 LEU 10 -1.711 -6.987 -2.207 59 1HD2 LEU 10 1HD2 LEU 10 -1.974 -9.713 -0.484 60 2HD2 LEU 10 2HD2 LEU 10 -0.690 -9.209 0.617 61 3HD2 LEU 10 3HD2 LEU 10 -0.513 -8.955 -1.120 62 H GLU 11 H GLU 11 -1.005 -5.562 3.071 63 HA GLU 11 HA GLU 11 -3.583 -6.346 3.904 64 1HB GLU 11 2HB GLU 11 -1.556 -6.981 5.106 65 2HB GLU 11 1HB GLU 11 -1.227 -5.297 5.481 66 1HG GLU 11 2HG GLU 11 -2.120 -6.425 7.411 67 2HG GLU 11 1HG GLU 11 -3.261 -5.210 6.840 68 H HIS 12 H HIS 12 -1.834 -3.278 4.210 69 HA HIS 12 HA HIS 12 -4.221 -2.007 5.304 70 1HB HIS 12 2HB HIS 12 -1.485 -0.812 4.813 71 2HB HIS 12 1HB HIS 12 -2.806 -0.045 5.680 72 HD1 HIS 12 1HD HIS 12 -1.288 0.181 7.769 73 HD2 HIS 12 2HD HIS 12 -1.946 -3.742 6.579 74 HE1 HIS 12 1HE HIS 12 -0.520 -1.245 9.693 75 HE2 HIS 12 2HE HIS 12 -0.874 -3.619 8.925 76 H SER 13 H SER 13 -4.350 -2.852 2.548 77 HA SER 13 HA SER 13 -3.866 -0.745 0.756 78 1HB SER 13 2HB SER 13 -5.919 -2.961 0.649 79 2HB SER 13 1HB SER 13 -5.584 -1.864 -0.689 80 HG SER 13 HG SER 13 -4.029 -3.931 0.370 81 H ASN 14 H ASN 14 -6.789 -1.586 2.583 82 HA ASN 14 HA ASN 14 -8.271 0.653 1.593 83 1HB ASN 14 2HB ASN 14 -9.372 -1.427 2.365 84 2HB ASN 14 1HB ASN 14 -8.826 -1.088 4.004 85 1HD2 ASN 14 1HD2 ASN 14 -10.304 -0.193 5.250 86 2HD2 ASN 14 2HD2 ASN 14 -11.595 0.828 4.728 87 H LEU 15 H LEU 15 -6.495 -0.068 4.528 88 HA LEU 15 HA LEU 15 -7.203 2.163 6.038 89 1HB LEU 15 2HB LEU 15 -4.614 0.621 6.065 90 2HB LEU 15 1HB LEU 15 -5.139 1.733 7.314 91 HG LEU 15 HG LEU 15 -6.523 -0.845 6.565 92 1HD1 LEU 15 1HD1 LEU 15 -4.291 -0.979 7.766 93 2HD1 LEU 15 2HD1 LEU 15 -5.661 -1.770 8.545 94 3HD1 LEU 15 3HD1 LEU 15 -5.097 -0.205 9.130 95 1HD2 LEU 15 1HD2 LEU 15 -8.286 -0.164 7.732 96 2HD2 LEU 15 2HD2 LEU 15 -7.560 1.441 7.811 97 3HD2 LEU 15 3HD2 LEU 15 -7.267 0.277 9.102 98 H CYS 16 H CYS 16 -4.445 1.723 3.855 99 HA CYS 16 HA CYS 16 -3.606 4.450 4.269 100 1HB CYS 16 2HB CYS 16 -2.590 2.286 2.429 101 2HB CYS 16 1HB CYS 16 -1.887 3.898 2.521 102 H GLY 17 H GLY 17 -5.312 2.631 1.781 103 1HA GLY 17 2HA GLY 17 -5.275 4.578 -0.237 104 2HA GLY 17 1HA GLY 17 -6.485 3.322 -0.066 105 H ALA 18 H ALA 18 -7.498 4.062 2.414 106 HA ALA 18 HA ALA 18 -8.778 6.634 1.769 107 1HB ALA 18 1HB ALA 18 -9.878 4.046 2.672 108 2HB ALA 18 2HB ALA 18 -10.596 5.291 1.649 109 3HB ALA 18 3HB ALA 18 -10.581 5.490 3.402 110 H GLY 19 H GLY 19 -6.437 6.778 3.127 111 1HA GLY 19 2HA GLY 19 -7.249 8.035 5.560 112 2HA GLY 19 1HA GLY 19 -6.415 6.521 5.869 113 H GLY 20 H GLY 20 -4.487 6.598 3.833 114 1HA GLY 20 2HA GLY 20 -2.857 8.339 3.056 115 2HA GLY 20 1HA GLY 20 -2.916 8.943 4.702 116 H ALA 21 H ALA 21 -1.283 8.397 5.883 117 HA ALA 21 HA ALA 21 0.505 7.331 6.775 118 1HB ALA 21 1HB ALA 21 -1.165 5.618 7.317 119 2HB ALA 21 2HB ALA 21 0.424 4.918 7.009 120 3HB ALA 21 3HB ALA 21 -0.837 4.821 5.779 121 H ALA 22 H ALA 22 0.790 8.363 4.178 122 HA ALA 22 HA ALA 22 2.241 6.498 2.547 123 1HB ALA 22 1HB ALA 22 1.779 8.027 1.000 124 2HB ALA 22 2HB ALA 22 2.872 9.155 1.804 125 3HB ALA 22 3HB ALA 22 1.163 9.121 2.240 126 H GLY 23 H GLY 23 4.428 6.205 2.441 127 1HA GLY 23 2HA GLY 23 6.678 6.527 2.912 128 2HA GLY 23 1HA GLY 23 6.256 8.029 3.725 Start of MODEL 9 1 1H GLY 1 H GLY 1 6.552 5.913 5.804 2 1HA GLY 1 2HA GLY 1 6.286 4.555 7.623 3 2HA GLY 1 1HA GLY 1 4.557 4.720 7.369 4 H CYS 2 H CYS 2 3.812 2.728 7.609 5 HA CYS 2 HA CYS 2 5.167 0.363 6.818 6 1HB CYS 2 2HB CYS 2 3.238 0.783 8.564 7 2HB CYS 2 1HB CYS 2 2.200 0.453 7.182 8 H CYS 3 H CYS 3 2.879 2.480 5.272 9 HA CYS 3 HA CYS 3 1.919 0.836 3.246 10 1HB CYS 3 2HB CYS 3 2.434 3.812 3.188 11 2HB CYS 3 1HB CYS 3 1.470 2.935 2.004 12 H SER 4 H SER 4 5.045 2.267 3.606 13 HA SER 4 HA SER 4 5.858 2.252 0.897 14 1HB SER 4 2HB SER 4 7.596 1.901 3.350 15 2HB SER 4 1HB SER 4 8.113 2.467 1.760 16 HG SER 4 HG SER 4 7.794 4.313 2.809 17 H ASN 5 H ASN 5 5.466 -0.199 3.264 18 HA ASN 5 HA ASN 5 7.099 -2.140 1.846 19 1HB ASN 5 2HB ASN 5 5.542 -2.171 4.421 20 2HB ASN 5 1HB ASN 5 6.099 -3.678 3.691 21 1HD2 ASN 5 1HD2 ASN 5 6.839 -1.389 5.898 22 2HD2 ASN 5 2HD2 ASN 5 8.554 -1.582 5.958 23 HA PRO 6 HA PRO 6 3.745 -3.322 -0.817 24 1HB PRO 6 2HB PRO 6 4.805 -5.808 -1.448 25 2HB PRO 6 1HB PRO 6 5.187 -4.297 -2.277 26 1HG PRO 6 2HG PRO 6 6.706 -5.729 -0.142 27 2HG PRO 6 1HG PRO 6 7.315 -4.860 -1.564 28 1HD PRO 6 2HD PRO 6 7.410 -3.778 0.887 29 2HD PRO 6 1HD PRO 6 7.080 -2.787 -0.551 30 H VAL 7 H VAL 7 5.068 -5.648 1.517 31 HA VAL 7 HA VAL 7 2.846 -7.373 1.589 32 HB VAL 7 HB VAL 7 4.832 -6.829 3.805 33 1HG1 VAL 7 1HG1 VAL 7 2.677 -8.082 4.349 34 2HG1 VAL 7 2HG1 VAL 7 4.197 -8.871 4.769 35 3HG1 VAL 7 3HG1 VAL 7 3.311 -9.375 3.331 36 1HG2 VAL 7 1HG2 VAL 7 6.270 -8.395 2.887 37 2HG2 VAL 7 2HG2 VAL 7 5.683 -7.537 1.463 38 3HG2 VAL 7 3HG2 VAL 7 5.013 -9.113 1.881 39 H CYS 8 H CYS 8 3.742 -4.599 3.603 40 HA CYS 8 HA CYS 8 1.486 -4.762 5.314 41 1HB CYS 8 2HB CYS 8 3.672 -3.465 5.696 42 2HB CYS 8 1HB CYS 8 2.958 -2.219 4.687 43 H HIS 9 H HIS 9 2.202 -2.975 2.369 44 HA HIS 9 HA HIS 9 -0.102 -1.381 2.285 45 1HB HIS 9 2HB HIS 9 1.989 -1.248 0.804 46 2HB HIS 9 1HB HIS 9 1.227 -2.490 -0.178 47 HD1 HIS 9 1HD HIS 9 -1.457 -1.710 -0.783 48 HD2 HIS 9 2HD HIS 9 1.432 1.214 -0.163 49 HE1 HIS 9 1HE HIS 9 -2.355 0.366 -1.872 50 HE2 HIS 9 2HE HIS 9 -0.712 2.169 -1.253 51 H LEU 10 H LEU 10 0.513 -4.629 1.057 52 HA LEU 10 HA LEU 10 -1.894 -4.997 -0.335 53 1HB LEU 10 2HB LEU 10 0.045 -6.496 -0.528 54 2HB LEU 10 1HB LEU 10 -0.216 -7.047 1.116 55 HG LEU 10 HG LEU 10 -2.422 -7.965 0.413 56 1HD1 LEU 10 1HD1 LEU 10 -3.216 -7.876 -1.717 57 2HD1 LEU 10 2HD1 LEU 10 -1.607 -7.766 -2.434 58 3HD1 LEU 10 3HD1 LEU 10 -2.337 -6.348 -1.681 59 1HD2 LEU 10 1HD2 LEU 10 -0.795 -9.597 0.541 60 2HD2 LEU 10 2HD2 LEU 10 0.157 -8.900 -0.769 61 3HD2 LEU 10 3HD2 LEU 10 -1.341 -9.760 -1.127 62 H GLU 11 H GLU 11 -1.035 -5.845 2.998 63 HA GLU 11 HA GLU 11 -3.609 -6.799 3.711 64 1HB GLU 11 2HB GLU 11 -1.676 -7.524 4.949 65 2HB GLU 11 1HB GLU 11 -1.242 -5.868 5.340 66 1HG GLU 11 2HG GLU 11 -2.159 -6.876 7.284 67 2HG GLU 11 1HG GLU 11 -3.320 -5.696 6.682 68 H HIS 12 H HIS 12 -1.923 -3.739 4.237 69 HA HIS 12 HA HIS 12 -4.333 -2.548 5.365 70 1HB HIS 12 2HB HIS 12 -1.623 -1.271 4.928 71 2HB HIS 12 1HB HIS 12 -2.955 -0.590 5.848 72 HD1 HIS 12 1HD HIS 12 -1.496 -0.433 7.968 73 HD2 HIS 12 2HD HIS 12 -1.899 -4.299 6.507 74 HE1 HIS 12 1HE HIS 12 -0.630 -1.935 9.789 75 HE2 HIS 12 2HE HIS 12 -1.017 -4.275 8.936 76 H SER 13 H SER 13 -4.682 -3.269 2.713 77 HA SER 13 HA SER 13 -4.073 -1.277 0.839 78 1HB SER 13 2HB SER 13 -6.290 -3.322 0.933 79 2HB SER 13 1HB SER 13 -6.062 -2.233 -0.435 80 HG SER 13 HG SER 13 -4.450 -4.351 0.462 81 H ASN 14 H ASN 14 -6.708 -1.553 3.128 82 HA ASN 14 HA ASN 14 -8.299 0.540 2.071 83 1HB ASN 14 2HB ASN 14 -9.280 -1.118 3.540 84 2HB ASN 14 1HB ASN 14 -8.180 -0.674 4.838 85 1HD2 ASN 14 1HD2 ASN 14 -11.195 -0.151 3.445 86 2HD2 ASN 14 2HD2 ASN 14 -11.664 1.227 4.373 87 H LEU 15 H LEU 15 -5.941 0.426 4.696 88 HA LEU 15 HA LEU 15 -6.146 3.171 5.370 89 1HB LEU 15 2HB LEU 15 -3.903 1.222 5.897 90 2HB LEU 15 1HB LEU 15 -4.075 2.794 6.653 91 HG LEU 15 HG LEU 15 -5.990 0.481 6.974 92 1HD1 LEU 15 1HD1 LEU 15 -5.141 0.509 9.319 93 2HD1 LEU 15 2HD1 LEU 15 -3.882 1.627 8.794 94 3HD1 LEU 15 3HD1 LEU 15 -3.951 -0.003 8.123 95 1HD2 LEU 15 1HD2 LEU 15 -7.062 2.703 7.096 96 2HD2 LEU 15 2HD2 LEU 15 -5.934 3.151 8.374 97 3HD2 LEU 15 3HD2 LEU 15 -7.089 1.845 8.636 98 H CYS 16 H CYS 16 -3.858 1.336 3.418 99 HA CYS 16 HA CYS 16 -2.480 3.771 2.618 100 1HB CYS 16 2HB CYS 16 -1.992 0.917 1.762 101 2HB CYS 16 1HB CYS 16 -0.925 2.285 1.480 102 H GLY 17 H GLY 17 -5.178 3.614 1.845 103 1HA GLY 17 2HA GLY 17 -4.912 3.318 -1.081 104 2HA GLY 17 1HA GLY 17 -6.394 2.944 -0.211 105 H ALA 18 H ALA 18 -5.331 5.033 -2.286 106 HA ALA 18 HA ALA 18 -5.784 7.166 -2.910 107 1HB ALA 18 1HB ALA 18 -8.010 7.142 -2.965 108 2HB ALA 18 2HB ALA 18 -7.957 7.988 -1.419 109 3HB ALA 18 3HB ALA 18 -8.117 6.232 -1.459 110 H GLY 19 H GLY 19 -3.894 6.822 -0.771 111 1HA GLY 19 2HA GLY 19 -3.444 9.468 -0.055 112 2HA GLY 19 1HA GLY 19 -4.293 8.719 1.289 113 H GLY 20 H GLY 20 -3.287 6.322 1.635 114 1HA GLY 20 2HA GLY 20 -0.628 6.861 2.569 115 2HA GLY 20 1HA GLY 20 -1.493 5.345 2.727 116 H ALA 21 H ALA 21 1.053 6.856 1.311 117 HA ALA 21 HA ALA 21 1.795 4.563 -0.216 118 1HB ALA 21 1HB ALA 21 0.271 5.497 -1.847 119 2HB ALA 21 2HB ALA 21 1.929 5.702 -2.412 120 3HB ALA 21 3HB ALA 21 1.056 7.072 -1.726 121 H ALA 22 H ALA 22 3.956 4.472 -0.409 122 HA ALA 22 HA ALA 22 6.144 4.953 -0.048 123 1HB ALA 22 1HB ALA 22 5.096 6.978 -1.765 124 2HB ALA 22 2HB ALA 22 6.716 6.284 -1.724 125 3HB ALA 22 3HB ALA 22 6.331 7.684 -0.723 126 H GLY 23 H GLY 23 4.611 5.114 2.245 127 1HA GLY 23 2HA GLY 23 6.298 6.776 3.867 128 2HA GLY 23 1HA GLY 23 4.635 7.341 3.801 Start of MODEL 10 1 1H GLY 1 H GLY 1 7.094 3.491 5.222 2 1HA GLY 1 2HA GLY 1 7.002 2.769 7.620 3 2HA GLY 1 1HA GLY 1 5.431 3.556 7.662 4 H CYS 2 H CYS 2 3.768 2.288 7.414 5 HA CYS 2 HA CYS 2 4.038 -0.461 6.724 6 1HB CYS 2 2HB CYS 2 2.338 0.224 8.302 7 2HB CYS 2 1HB CYS 2 1.603 1.288 7.114 8 H CYS 3 H CYS 3 2.476 2.294 5.142 9 HA CYS 3 HA CYS 3 1.603 0.934 2.876 10 1HB CYS 3 2HB CYS 3 2.291 3.854 3.173 11 2HB CYS 3 1HB CYS 3 1.342 3.159 1.862 12 H SER 4 H SER 4 4.738 2.447 3.485 13 HA SER 4 HA SER 4 5.622 2.329 0.797 14 1HB SER 4 2HB SER 4 7.920 2.537 1.816 15 2HB SER 4 1HB SER 4 6.780 3.789 2.308 16 HG SER 4 HG SER 4 7.555 1.491 3.783 17 H ASN 5 H ASN 5 5.206 -0.036 3.213 18 HA ASN 5 HA ASN 5 7.029 -1.939 1.961 19 1HB ASN 5 2HB ASN 5 5.466 -1.859 4.502 20 2HB ASN 5 1HB ASN 5 5.856 -3.437 3.823 21 1HD2 ASN 5 1HD2 ASN 5 6.932 -0.930 5.752 22 2HD2 ASN 5 2HD2 ASN 5 8.596 -1.388 5.853 23 HA PRO 6 HA PRO 6 3.859 -3.297 -0.837 24 1HB PRO 6 2HB PRO 6 5.012 -5.779 -1.333 25 2HB PRO 6 1HB PRO 6 5.384 -4.284 -2.195 26 1HG PRO 6 2HG PRO 6 6.851 -5.594 0.052 27 2HG PRO 6 1HG PRO 6 7.494 -4.749 -1.369 28 1HD PRO 6 2HD PRO 6 7.448 -3.583 1.042 29 2HD PRO 6 1HD PRO 6 7.135 -2.652 -0.439 30 H VAL 7 H VAL 7 5.078 -5.606 1.593 31 HA VAL 7 HA VAL 7 2.815 -7.295 1.538 32 HB VAL 7 HB VAL 7 4.772 -6.864 3.804 33 1HG1 VAL 7 1HG1 VAL 7 3.094 -9.305 3.276 34 2HG1 VAL 7 2HG1 VAL 7 2.577 -8.003 4.349 35 3HG1 VAL 7 3HG1 VAL 7 4.042 -8.918 4.714 36 1HG2 VAL 7 1HG2 VAL 7 4.937 -9.224 2.025 37 2HG2 VAL 7 2HG2 VAL 7 6.217 -8.315 2.828 38 3HG2 VAL 7 3HG2 VAL 7 5.471 -7.679 1.362 39 H CYS 8 H CYS 8 3.755 -4.696 3.760 40 HA CYS 8 HA CYS 8 1.453 -4.829 5.381 41 1HB CYS 8 2HB CYS 8 3.750 -3.603 5.720 42 2HB CYS 8 1HB CYS 8 2.926 -2.256 4.951 43 H HIS 9 H HIS 9 2.237 -3.001 2.477 44 HA HIS 9 HA HIS 9 -0.023 -1.324 2.406 45 1HB HIS 9 2HB HIS 9 2.084 -1.205 0.949 46 2HB HIS 9 1HB HIS 9 1.338 -2.449 -0.040 47 HD1 HIS 9 1HD HIS 9 -1.412 -1.589 -0.560 48 HD2 HIS 9 2HD HIS 9 1.671 1.185 -0.241 49 HE1 HIS 9 1HE HIS 9 -2.217 0.461 -1.776 50 HE2 HIS 9 2HE HIS 9 -0.398 2.176 -1.440 51 H LEU 10 H LEU 10 0.567 -4.549 1.117 52 HA LEU 10 HA LEU 10 -1.865 -4.826 -0.282 53 1HB LEU 10 2HB LEU 10 0.281 -6.234 -0.420 54 2HB LEU 10 1HB LEU 10 -0.333 -7.095 0.976 55 HG LEU 10 HG LEU 10 -0.714 -8.174 -1.288 56 1HD1 LEU 10 1HD1 LEU 10 -1.983 -9.210 0.286 57 2HD1 LEU 10 2HD1 LEU 10 -3.270 -8.520 -0.703 58 3HD1 LEU 10 3HD1 LEU 10 -2.780 -7.719 0.791 59 1HD2 LEU 10 1HD2 LEU 10 -1.797 -5.652 -1.874 60 2HD2 LEU 10 2HD2 LEU 10 -3.149 -6.784 -1.858 61 3HD2 LEU 10 3HD2 LEU 10 -1.762 -7.082 -2.904 62 H GLU 11 H GLU 11 -0.895 -5.961 2.948 63 HA GLU 11 HA GLU 11 -3.377 -7.073 3.672 64 1HB GLU 11 2HB GLU 11 -1.231 -7.505 4.853 65 2HB GLU 11 1HB GLU 11 -1.268 -5.863 5.471 66 1HG GLU 11 2HG GLU 11 -3.588 -6.558 6.418 67 2HG GLU 11 1HG GLU 11 -2.971 -8.196 6.202 68 H HIS 12 H HIS 12 -1.945 -3.926 4.344 69 HA HIS 12 HA HIS 12 -4.506 -2.957 5.374 70 1HB HIS 12 2HB HIS 12 -1.761 -1.688 5.485 71 2HB HIS 12 1HB HIS 12 -3.207 -1.101 6.305 72 HD1 HIS 12 1HD HIS 12 -4.202 -2.836 8.154 73 HD2 HIS 12 2HD HIS 12 -0.316 -3.518 6.887 74 HE1 HIS 12 1HE HIS 12 -3.204 -4.377 9.864 75 HE2 HIS 12 2HE HIS 12 -0.994 -5.039 8.856 76 H SER 13 H SER 13 -4.689 -3.319 2.742 77 HA SER 13 HA SER 13 -3.857 -1.190 1.104 78 1HB SER 13 2HB SER 13 -6.141 -3.146 0.828 79 2HB SER 13 1HB SER 13 -5.727 -1.966 -0.416 80 HG SER 13 HG SER 13 -4.261 -4.196 0.494 81 H ASN 14 H ASN 14 -6.413 -1.437 3.400 82 HA ASN 14 HA ASN 14 -8.068 0.619 2.348 83 1HB ASN 14 2HB ASN 14 -9.186 0.581 4.523 84 2HB ASN 14 1HB ASN 14 -8.925 -1.054 3.925 85 1HD2 ASN 14 1HD2 ASN 14 -8.865 0.757 6.600 86 2HD2 ASN 14 2HD2 ASN 14 -7.701 -0.109 7.536 87 H LEU 15 H LEU 15 -5.090 0.679 4.067 88 HA LEU 15 HA LEU 15 -5.472 3.283 5.217 89 1HB LEU 15 2HB LEU 15 -3.183 1.382 5.055 90 2HB LEU 15 1HB LEU 15 -2.868 3.053 5.464 91 HG LEU 15 HG LEU 15 -3.011 1.820 7.496 92 1HD1 LEU 15 1HD1 LEU 15 -5.691 3.146 7.312 93 2HD1 LEU 15 2HD1 LEU 15 -4.191 4.074 7.271 94 3HD1 LEU 15 3HD1 LEU 15 -4.576 3.080 8.676 95 1HD2 LEU 15 1HD2 LEU 15 -5.595 0.746 6.402 96 2HD2 LEU 15 2HD2 LEU 15 -5.146 0.632 8.104 97 3HD2 LEU 15 3HD2 LEU 15 -4.152 -0.151 6.875 98 H CYS 16 H CYS 16 -3.581 2.043 2.482 99 HA CYS 16 HA CYS 16 -3.507 4.803 1.454 100 1HB CYS 16 2HB CYS 16 -1.243 2.815 1.486 101 2HB CYS 16 1HB CYS 16 -1.217 4.315 0.569 102 H GLY 17 H GLY 17 -5.338 2.739 0.696 103 1HA GLY 17 2HA GLY 17 -4.487 1.504 -1.726 104 2HA GLY 17 1HA GLY 17 -6.147 1.662 -1.182 105 H ALA 18 H ALA 18 -6.585 4.236 -1.078 106 HA ALA 18 HA ALA 18 -6.227 5.135 -3.849 107 1HB ALA 18 1HB ALA 18 -8.297 6.177 -3.757 108 2HB ALA 18 2HB ALA 18 -8.289 6.263 -1.995 109 3HB ALA 18 3HB ALA 18 -8.562 4.719 -2.801 110 H GLY 19 H GLY 19 -4.022 5.660 -2.604 111 1HA GLY 19 2HA GLY 19 -4.028 8.534 -2.344 112 2HA GLY 19 1HA GLY 19 -3.656 7.694 -0.847 113 H GLY 20 H GLY 20 -2.049 5.646 -1.599 114 1HA GLY 20 2HA GLY 20 -0.150 5.829 -3.485 115 2HA GLY 20 1HA GLY 20 0.340 7.096 -2.372 116 H ALA 21 H ALA 21 2.022 6.405 -1.275 117 HA ALA 21 HA ALA 21 1.805 3.975 0.297 118 1HB ALA 21 1HB ALA 21 4.400 4.100 -1.041 119 2HB ALA 21 2HB ALA 21 3.051 3.789 -2.134 120 3HB ALA 21 3HB ALA 21 3.334 2.724 -0.758 121 H ALA 22 H ALA 22 1.677 5.784 1.845 122 HA ALA 22 HA ALA 22 3.778 7.567 2.347 123 1HB ALA 22 1HB ALA 22 1.674 8.003 3.344 124 2HB ALA 22 2HB ALA 22 2.791 7.666 4.668 125 3HB ALA 22 3HB ALA 22 1.647 6.430 4.143 126 H GLY 23 H GLY 23 5.517 7.508 3.753 127 1HA GLY 23 2HA GLY 23 7.013 5.187 3.927 128 2HA GLY 23 1HA GLY 23 7.271 6.611 4.922 Start of MODEL 11 1 1H GLY 1 H GLY 1 6.757 5.468 5.023 2 1HA GLY 1 2HA GLY 1 6.988 4.241 6.944 3 2HA GLY 1 1HA GLY 1 5.253 4.433 7.135 4 H CYS 2 H CYS 2 4.440 2.511 7.594 5 HA CYS 2 HA CYS 2 5.561 0.035 6.821 6 1HB CYS 2 2HB CYS 2 3.946 0.548 8.760 7 2HB CYS 2 1HB CYS 2 2.665 0.451 7.560 8 H CYS 3 H CYS 3 2.964 2.023 5.483 9 HA CYS 3 HA CYS 3 2.068 0.183 3.557 10 1HB CYS 3 2HB CYS 3 1.868 3.171 3.768 11 2HB CYS 3 1HB CYS 3 1.223 2.301 2.379 12 H SER 4 H SER 4 4.955 1.994 3.692 13 HA SER 4 HA SER 4 5.433 2.247 0.896 14 1HB SER 4 2HB SER 4 6.656 3.548 2.667 15 2HB SER 4 1HB SER 4 7.492 2.062 3.114 16 HG SER 4 HG SER 4 7.887 2.160 0.603 17 H ASN 5 H ASN 5 5.571 -0.297 3.174 18 HA ASN 5 HA ASN 5 7.226 -2.018 1.511 19 1HB ASN 5 2HB ASN 5 5.945 -2.319 4.225 20 2HB ASN 5 1HB ASN 5 6.609 -3.711 3.373 21 1HD2 ASN 5 1HD2 ASN 5 8.399 -1.070 2.497 22 2HD2 ASN 5 2HD2 ASN 5 9.674 -1.208 3.654 23 HA PRO 6 HA PRO 6 3.822 -3.447 -0.931 24 1HB PRO 6 2HB PRO 6 4.891 -5.993 -1.386 25 2HB PRO 6 1HB PRO 6 5.159 -4.556 -2.374 26 1HG PRO 6 2HG PRO 6 6.874 -5.739 -0.242 27 2HG PRO 6 1HG PRO 6 7.346 -4.947 -1.756 28 1HD PRO 6 2HD PRO 6 7.559 -3.684 0.590 29 2HD PRO 6 1HD PRO 6 7.050 -2.816 -0.875 30 H VAL 7 H VAL 7 5.124 -5.682 1.522 31 HA VAL 7 HA VAL 7 2.875 -7.367 1.643 32 HB VAL 7 HB VAL 7 4.873 -6.775 3.834 33 1HG1 VAL 7 1HG1 VAL 7 2.602 -8.619 3.629 34 2HG1 VAL 7 2HG1 VAL 7 3.437 -7.998 5.053 35 3HG1 VAL 7 3HG1 VAL 7 4.109 -9.364 4.161 36 1HG2 VAL 7 1HG2 VAL 7 5.303 -9.281 2.556 37 2HG2 VAL 7 2HG2 VAL 7 6.382 -7.890 2.649 38 3HG2 VAL 7 3HG2 VAL 7 5.230 -8.025 1.320 39 H CYS 8 H CYS 8 3.837 -4.645 3.700 40 HA CYS 8 HA CYS 8 1.543 -4.701 5.352 41 1HB CYS 8 2HB CYS 8 3.782 -3.517 5.755 42 2HB CYS 8 1HB CYS 8 3.142 -2.236 4.742 43 H HIS 9 H HIS 9 2.354 -2.949 2.405 44 HA HIS 9 HA HIS 9 0.126 -1.244 2.317 45 1HB HIS 9 2HB HIS 9 2.208 -1.235 0.804 46 2HB HIS 9 1HB HIS 9 1.360 -2.439 -0.156 47 HD1 HIS 9 1HD HIS 9 -1.350 -1.461 -0.577 48 HD2 HIS 9 2HD HIS 9 1.837 1.196 -0.310 49 HE1 HIS 9 1HE HIS 9 -2.135 0.650 -1.692 50 HE2 HIS 9 2HE HIS 9 -0.284 2.313 -1.282 51 H LEU 10 H LEU 10 0.593 -4.525 1.126 52 HA LEU 10 HA LEU 10 -1.853 -4.808 -0.225 53 1HB LEU 10 2HB LEU 10 0.044 -6.364 -0.456 54 2HB LEU 10 1HB LEU 10 -0.215 -6.920 1.185 55 HG LEU 10 HG LEU 10 -2.448 -7.770 0.511 56 1HD1 LEU 10 1HD1 LEU 10 -1.596 -7.309 -2.329 57 2HD1 LEU 10 2HD1 LEU 10 -2.601 -6.154 -1.454 58 3HD1 LEU 10 3HD1 LEU 10 -3.175 -7.800 -1.715 59 1HD2 LEU 10 1HD2 LEU 10 -1.485 -9.579 -1.055 60 2HD2 LEU 10 2HD2 LEU 10 -0.821 -9.425 0.571 61 3HD2 LEU 10 3HD2 LEU 10 0.054 -8.754 -0.806 62 H GLU 11 H GLU 11 -0.934 -5.547 3.113 63 HA GLU 11 HA GLU 11 -3.480 -6.516 3.908 64 1HB GLU 11 2HB GLU 11 -1.411 -7.051 5.126 65 2HB GLU 11 1HB GLU 11 -1.223 -5.359 5.557 66 1HG GLU 11 2HG GLU 11 -3.592 -5.680 6.620 67 2HG GLU 11 1HG GLU 11 -3.136 -7.383 6.605 68 H HIS 12 H HIS 12 -1.846 -3.402 4.265 69 HA HIS 12 HA HIS 12 -4.247 -2.191 5.381 70 1HB HIS 12 2HB HIS 12 -1.575 -0.887 4.806 71 2HB HIS 12 1HB HIS 12 -2.884 -0.207 5.760 72 HD1 HIS 12 1HD HIS 12 -1.179 0.003 7.764 73 HD2 HIS 12 2HD HIS 12 -1.917 -3.881 6.515 74 HE1 HIS 12 1HE HIS 12 -0.299 -1.479 9.601 75 HE2 HIS 12 2HE HIS 12 -0.674 -3.835 8.765 76 H SER 13 H SER 13 -4.523 -3.068 2.708 77 HA SER 13 HA SER 13 -4.122 -0.993 0.835 78 1HB SER 13 2HB SER 13 -6.005 -3.354 0.834 79 2HB SER 13 1HB SER 13 -5.853 -2.242 -0.527 80 HG SER 13 HG SER 13 -4.099 -4.187 0.399 81 H ASN 14 H ASN 14 -6.697 -1.666 3.097 82 HA ASN 14 HA ASN 14 -8.578 0.142 1.949 83 1HB ASN 14 2HB ASN 14 -8.393 -1.162 4.660 84 2HB ASN 14 1HB ASN 14 -9.690 -0.051 4.237 85 1HD2 ASN 14 1HD2 ASN 14 -9.035 -1.454 1.409 86 2HD2 ASN 14 2HD2 ASN 14 -10.108 -2.805 1.474 87 H LEU 15 H LEU 15 -6.134 0.386 4.444 88 HA LEU 15 HA LEU 15 -6.866 3.018 5.270 89 1HB LEU 15 2HB LEU 15 -4.359 1.407 5.729 90 2HB LEU 15 1HB LEU 15 -4.632 2.991 6.423 91 HG LEU 15 HG LEU 15 -5.119 1.465 8.138 92 1HD1 LEU 15 1HD1 LEU 15 -7.733 1.560 8.216 93 2HD1 LEU 15 2HD1 LEU 15 -7.523 2.613 6.816 94 3HD1 LEU 15 3HD1 LEU 15 -6.768 3.030 8.355 95 1HD2 LEU 15 1HD2 LEU 15 -7.202 -0.178 7.166 96 2HD2 LEU 15 2HD2 LEU 15 -5.593 -0.654 7.709 97 3HD2 LEU 15 3HD2 LEU 15 -5.873 -0.270 6.011 98 H CYS 16 H CYS 16 -4.220 1.709 3.332 99 HA CYS 16 HA CYS 16 -3.590 4.418 2.407 100 1HB CYS 16 2HB CYS 16 -2.063 1.830 2.275 101 2HB CYS 16 1HB CYS 16 -1.519 3.311 1.496 102 H GLY 17 H GLY 17 -5.898 3.507 1.429 103 1HA GLY 17 2HA GLY 17 -5.779 2.043 -0.975 104 2HA GLY 17 1HA GLY 17 -7.080 3.121 -0.497 105 H ALA 18 H ALA 18 -5.054 2.541 -2.889 106 HA ALA 18 HA ALA 18 -4.208 3.662 -4.666 107 1HB ALA 18 1HB ALA 18 -6.514 5.331 -3.816 108 2HB ALA 18 2HB ALA 18 -6.253 4.433 -5.311 109 3HB ALA 18 3HB ALA 18 -5.426 5.969 -5.050 110 H GLY 19 H GLY 19 -2.852 4.040 -2.121 111 1HA GLY 19 2HA GLY 19 -0.959 5.940 -2.873 112 2HA GLY 19 1HA GLY 19 -2.081 6.737 -1.781 113 H GLY 20 H GLY 20 -0.981 6.970 0.053 114 1HA GLY 20 2HA GLY 20 -0.506 4.762 1.737 115 2HA GLY 20 1HA GLY 20 1.018 5.285 1.031 116 H ALA 21 H ALA 21 -0.258 5.402 3.807 117 HA ALA 21 HA ALA 21 -0.566 8.171 4.418 118 1HB ALA 21 1HB ALA 21 -1.302 7.434 6.395 119 2HB ALA 21 2HB ALA 21 0.136 6.449 6.663 120 3HB ALA 21 3HB ALA 21 -1.192 5.820 5.688 121 H ALA 22 H ALA 22 1.430 8.871 3.352 122 HA ALA 22 HA ALA 22 3.538 9.705 3.367 123 1HB ALA 22 1HB ALA 22 3.339 10.960 5.234 124 2HB ALA 22 2HB ALA 22 4.513 9.806 5.864 125 3HB ALA 22 3HB ALA 22 2.798 9.603 6.224 126 H GLY 23 H GLY 23 3.313 6.998 2.783 127 1HA GLY 23 2HA GLY 23 4.729 5.229 2.378 128 2HA GLY 23 1HA GLY 23 6.010 6.161 3.140 Start of MODEL 12 1 1H GLY 1 H GLY 1 5.653 3.751 8.400 2 1HA GLY 1 2HA GLY 1 6.653 3.372 5.716 3 2HA GLY 1 1HA GLY 1 7.202 2.551 7.166 4 H CYS 2 H CYS 2 3.911 2.340 7.044 5 HA CYS 2 HA CYS 2 3.954 -0.452 6.532 6 1HB CYS 2 2HB CYS 2 2.297 0.495 8.030 7 2HB CYS 2 1HB CYS 2 1.639 1.481 6.733 8 H CYS 3 H CYS 3 2.561 2.271 4.722 9 HA CYS 3 HA CYS 3 1.780 0.713 2.509 10 1HB CYS 3 2HB CYS 3 2.403 3.666 2.457 11 2HB CYS 3 1HB CYS 3 1.295 2.778 1.411 12 H SER 4 H SER 4 4.765 2.232 3.366 13 HA SER 4 HA SER 4 6.004 2.189 0.827 14 1HB SER 4 2HB SER 4 7.416 1.922 3.484 15 2HB SER 4 1HB SER 4 8.026 2.658 2.001 16 HG SER 4 HG SER 4 6.916 4.435 2.400 17 H ASN 5 H ASN 5 5.380 -0.186 3.240 18 HA ASN 5 HA ASN 5 7.215 -2.128 2.059 19 1HB ASN 5 2HB ASN 5 5.629 -1.975 4.581 20 2HB ASN 5 1HB ASN 5 6.000 -3.573 3.942 21 1HD2 ASN 5 1HD2 ASN 5 7.117 -0.987 5.769 22 2HD2 ASN 5 2HD2 ASN 5 8.765 -1.486 5.917 23 HA PRO 6 HA PRO 6 4.110 -3.545 -0.779 24 1HB PRO 6 2HB PRO 6 5.686 -6.065 -0.558 25 2HB PRO 6 1HB PRO 6 5.178 -5.176 -1.999 26 1HG PRO 6 2HG PRO 6 7.699 -5.059 -1.159 27 2HG PRO 6 1HG PRO 6 6.889 -3.619 -1.803 28 1HD PRO 6 2HD PRO 6 7.506 -4.344 1.028 29 2HD PRO 6 1HD PRO 6 7.524 -2.754 0.239 30 H VAL 7 H VAL 7 5.129 -5.726 1.854 31 HA VAL 7 HA VAL 7 2.823 -7.354 1.771 32 HB VAL 7 HB VAL 7 4.643 -6.858 4.133 33 1HG1 VAL 7 1HG1 VAL 7 2.371 -8.022 4.453 34 2HG1 VAL 7 2HG1 VAL 7 3.813 -8.812 5.094 35 3HG1 VAL 7 3HG1 VAL 7 3.102 -9.369 3.579 36 1HG2 VAL 7 1HG2 VAL 7 4.963 -9.278 2.476 37 2HG2 VAL 7 2HG2 VAL 7 6.176 -8.285 3.283 38 3HG2 VAL 7 3HG2 VAL 7 5.489 -7.761 1.746 39 H CYS 8 H CYS 8 3.731 -4.724 3.981 40 HA CYS 8 HA CYS 8 1.308 -4.709 5.427 41 1HB CYS 8 2HB CYS 8 3.611 -3.593 5.949 42 2HB CYS 8 1HB CYS 8 2.957 -2.237 5.049 43 H HIS 9 H HIS 9 2.386 -3.003 2.555 44 HA HIS 9 HA HIS 9 0.315 -1.145 2.301 45 1HB HIS 9 2HB HIS 9 2.470 -1.317 0.944 46 2HB HIS 9 1HB HIS 9 1.648 -2.527 -0.025 47 HD1 HIS 9 1HD HIS 9 2.501 -0.242 -1.611 48 HD2 HIS 9 2HD HIS 9 -1.073 -0.135 0.505 49 HE1 HIS 9 1HE HIS 9 1.100 1.509 -2.746 50 HE2 HIS 9 2HE HIS 9 -1.114 1.437 -1.546 51 H LEU 10 H LEU 10 0.577 -4.429 0.957 52 HA LEU 10 HA LEU 10 -1.965 -4.377 -0.296 53 1HB LEU 10 2HB LEU 10 0.070 -6.444 0.305 54 2HB LEU 10 1HB LEU 10 -1.565 -7.016 0.038 55 HG LEU 10 HG LEU 10 -0.265 -7.117 -2.018 56 1HD1 LEU 10 1HD1 LEU 10 -2.584 -5.267 -1.810 57 2HD1 LEU 10 2HD1 LEU 10 -2.460 -6.844 -2.590 58 3HD1 LEU 10 3HD1 LEU 10 -1.755 -5.422 -3.360 59 1HD2 LEU 10 1HD2 LEU 10 0.655 -4.543 -1.166 60 2HD2 LEU 10 2HD2 LEU 10 -0.046 -4.422 -2.780 61 3HD2 LEU 10 3HD2 LEU 10 1.257 -5.569 -2.468 62 H GLU 11 H GLU 11 -0.853 -5.632 2.819 63 HA GLU 11 HA GLU 11 -3.303 -6.748 3.638 64 1HB GLU 11 2HB GLU 11 -1.123 -7.247 4.691 65 2HB GLU 11 1HB GLU 11 -1.068 -5.612 5.330 66 1HG GLU 11 2HG GLU 11 -3.210 -6.150 6.552 67 2HG GLU 11 1HG GLU 11 -2.948 -7.830 6.082 68 H HIS 12 H HIS 12 -1.883 -3.547 4.116 69 HA HIS 12 HA HIS 12 -4.399 -2.636 5.331 70 1HB HIS 12 2HB HIS 12 -1.742 -1.183 5.250 71 2HB HIS 12 1HB HIS 12 -3.172 -0.697 6.149 72 HD1 HIS 12 1HD HIS 12 -1.830 -0.753 8.378 73 HD2 HIS 12 2HD HIS 12 -1.981 -4.394 6.403 74 HE1 HIS 12 1HE HIS 12 -1.029 -2.461 10.044 75 HE2 HIS 12 2HE HIS 12 -1.318 -4.687 8.873 76 H SER 13 H SER 13 -4.430 -3.087 2.567 77 HA SER 13 HA SER 13 -3.838 -0.878 0.969 78 1HB SER 13 2HB SER 13 -6.023 -2.950 0.689 79 2HB SER 13 1HB SER 13 -5.635 -1.764 -0.558 80 HG SER 13 HG SER 13 -4.146 -3.964 0.350 81 H ASN 14 H ASN 14 -6.701 -1.590 2.891 82 HA ASN 14 HA ASN 14 -8.267 0.586 2.022 83 1HB ASN 14 2HB ASN 14 -9.238 -1.337 3.182 84 2HB ASN 14 1HB ASN 14 -8.335 -0.937 4.636 85 1HD2 ASN 14 1HD2 ASN 14 -11.236 -0.601 3.031 86 2HD2 ASN 14 2HD2 ASN 14 -11.916 0.671 3.981 87 H LEU 15 H LEU 15 -6.040 0.195 4.718 88 HA LEU 15 HA LEU 15 -6.453 2.699 5.911 89 1HB LEU 15 2HB LEU 15 -4.107 0.820 5.982 90 2HB LEU 15 1HB LEU 15 -4.139 2.315 6.892 91 HG LEU 15 HG LEU 15 -4.727 0.597 8.404 92 1HD1 LEU 15 1HD1 LEU 15 -7.316 1.087 8.657 93 2HD1 LEU 15 2HD1 LEU 15 -6.928 2.357 7.497 94 3HD1 LEU 15 3HD1 LEU 15 -6.087 2.291 9.046 95 1HD2 LEU 15 1HD2 LEU 15 -5.393 -1.322 7.453 96 2HD2 LEU 15 2HD2 LEU 15 -6.188 -0.501 6.110 97 3HD2 LEU 15 3HD2 LEU 15 -7.015 -0.659 7.660 98 H CYS 16 H CYS 16 -4.038 1.638 3.549 99 HA CYS 16 HA CYS 16 -2.771 4.179 3.398 100 1HB CYS 16 2HB CYS 16 -2.712 1.892 1.417 101 2HB CYS 16 1HB CYS 16 -1.656 3.296 1.381 102 H GLY 17 H GLY 17 -5.467 2.701 1.721 103 1HA GLY 17 2HA GLY 17 -5.620 4.626 -0.371 104 2HA GLY 17 1HA GLY 17 -6.893 3.519 0.105 105 H ALA 18 H ALA 18 -7.378 4.214 2.644 106 HA ALA 18 HA ALA 18 -8.537 6.887 2.345 107 1HB ALA 18 1HB ALA 18 -9.273 4.454 3.886 108 2HB ALA 18 2HB ALA 18 -10.284 5.539 2.933 109 3HB ALA 18 3HB ALA 18 -9.741 6.024 4.539 110 H GLY 19 H GLY 19 -5.868 7.000 2.801 111 1HA GLY 19 2HA GLY 19 -5.734 8.515 5.208 112 2HA GLY 19 1HA GLY 19 -4.919 6.970 5.397 113 H GLY 20 H GLY 20 -3.925 6.751 2.738 114 1HA GLY 20 2HA GLY 20 -2.422 7.819 1.256 115 2HA GLY 20 1HA GLY 20 -2.230 9.116 2.424 116 H ALA 21 H ALA 21 -0.239 9.186 3.122 117 HA ALA 21 HA ALA 21 1.498 6.909 3.090 118 1HB ALA 21 1HB ALA 21 3.175 8.397 3.248 119 2HB ALA 21 2HB ALA 21 2.393 9.299 4.545 120 3HB ALA 21 3HB ALA 21 1.917 9.574 2.870 121 H ALA 22 H ALA 22 0.191 5.577 4.555 122 HA ALA 22 HA ALA 22 -0.031 6.280 7.323 123 1HB ALA 22 1HB ALA 22 -1.692 4.816 6.783 124 2HB ALA 22 2HB ALA 22 -0.503 3.678 7.415 125 3HB ALA 22 3HB ALA 22 -0.677 3.897 5.673 126 H GLY 23 H GLY 23 2.450 6.805 7.064 127 1HA GLY 23 2HA GLY 23 4.513 6.418 7.989 128 2HA GLY 23 1HA GLY 23 3.827 5.004 8.775 Start of MODEL 13 1 1H GLY 1 H GLY 1 7.187 4.563 5.344 2 1HA GLY 1 2HA GLY 1 7.388 2.912 6.928 3 2HA GLY 1 1HA GLY 1 5.860 3.479 7.573 4 H CYS 2 H CYS 2 4.196 2.204 7.446 5 HA CYS 2 HA CYS 2 4.327 -0.457 6.630 6 1HB CYS 2 2HB CYS 2 2.700 0.201 8.246 7 2HB CYS 2 1HB CYS 2 1.988 1.376 7.156 8 H CYS 3 H CYS 3 2.776 2.304 5.053 9 HA CYS 3 HA CYS 3 1.805 0.899 2.835 10 1HB CYS 3 2HB CYS 3 2.540 3.824 2.978 11 2HB CYS 3 1HB CYS 3 1.432 3.077 1.830 12 H SER 4 H SER 4 4.953 2.248 3.465 13 HA SER 4 HA SER 4 5.882 2.183 0.777 14 1HB SER 4 2HB SER 4 7.484 2.063 3.345 15 2HB SER 4 1HB SER 4 8.106 2.476 1.748 16 HG SER 4 HG SER 4 6.454 4.218 1.831 17 H ASN 5 H ASN 5 5.411 -0.162 3.227 18 HA ASN 5 HA ASN 5 7.170 -2.124 1.976 19 1HB ASN 5 2HB ASN 5 5.558 -2.040 4.503 20 2HB ASN 5 1HB ASN 5 6.059 -3.597 3.848 21 1HD2 ASN 5 1HD2 ASN 5 6.938 -1.000 5.766 22 2HD2 ASN 5 2HD2 ASN 5 8.619 -1.361 5.925 23 HA PRO 6 HA PRO 6 3.990 -3.442 -0.829 24 1HB PRO 6 2HB PRO 6 5.559 -5.971 -0.714 25 2HB PRO 6 1HB PRO 6 5.023 -5.040 -2.117 26 1HG PRO 6 2HG PRO 6 7.563 -4.959 -1.333 27 2HG PRO 6 1HG PRO 6 6.746 -3.498 -1.918 28 1HD PRO 6 2HD PRO 6 7.423 -4.302 0.876 29 2HD PRO 6 1HD PRO 6 7.433 -2.690 0.130 30 H VAL 7 H VAL 7 5.090 -5.760 1.651 31 HA VAL 7 HA VAL 7 2.766 -7.350 1.622 32 HB VAL 7 HB VAL 7 4.715 -6.941 3.898 33 1HG1 VAL 7 1HG1 VAL 7 3.942 -9.035 4.767 34 2HG1 VAL 7 2HG1 VAL 7 2.892 -9.283 3.373 35 3HG1 VAL 7 3HG1 VAL 7 2.542 -7.991 4.521 36 1HG2 VAL 7 1HG2 VAL 7 4.825 -9.328 2.146 37 2HG2 VAL 7 2HG2 VAL 7 6.124 -8.458 2.964 38 3HG2 VAL 7 3HG2 VAL 7 5.424 -7.808 1.482 39 H CYS 8 H CYS 8 3.766 -4.736 3.801 40 HA CYS 8 HA CYS 8 1.428 -4.778 5.391 41 1HB CYS 8 2HB CYS 8 3.760 -3.639 5.782 42 2HB CYS 8 1HB CYS 8 3.009 -2.275 4.971 43 H HIS 9 H HIS 9 2.344 -3.024 2.491 44 HA HIS 9 HA HIS 9 0.201 -1.212 2.371 45 1HB HIS 9 2HB HIS 9 2.354 -1.282 0.972 46 2HB HIS 9 1HB HIS 9 1.515 -2.437 -0.047 47 HD1 HIS 9 1HD HIS 9 2.369 0.056 -1.405 48 HD2 HIS 9 2HD HIS 9 -1.271 -0.212 0.583 49 HE1 HIS 9 1HE HIS 9 0.908 1.824 -2.433 50 HE2 HIS 9 2HE HIS 9 -1.319 1.588 -1.278 51 H LEU 10 H LEU 10 0.558 -4.486 1.071 52 HA LEU 10 HA LEU 10 -1.908 -4.562 -0.299 53 1HB LEU 10 2HB LEU 10 -0.253 -6.795 0.875 54 2HB LEU 10 1HB LEU 10 -1.653 -7.050 -0.148 55 HG LEU 10 HG LEU 10 0.886 -5.639 -0.974 56 1HD1 LEU 10 1HD1 LEU 10 0.442 -8.348 -0.687 57 2HD1 LEU 10 2HD1 LEU 10 1.686 -7.592 -1.682 58 3HD1 LEU 10 3HD1 LEU 10 0.143 -8.053 -2.400 59 1HD2 LEU 10 1HD2 LEU 10 -1.720 -6.148 -2.357 60 2HD2 LEU 10 2HD2 LEU 10 -0.222 -6.014 -3.277 61 3HD2 LEU 10 3HD2 LEU 10 -0.768 -4.666 -2.280 62 H GLU 11 H GLU 11 -0.993 -5.707 2.928 63 HA GLU 11 HA GLU 11 -3.542 -6.635 3.688 64 1HB GLU 11 2HB GLU 11 -1.505 -7.313 4.849 65 2HB GLU 11 1HB GLU 11 -1.219 -5.658 5.362 66 1HG GLU 11 2HG GLU 11 -2.077 -6.812 7.227 67 2HG GLU 11 1HG GLU 11 -3.378 -5.783 6.632 68 H HIS 12 H HIS 12 -1.869 -3.576 4.302 69 HA HIS 12 HA HIS 12 -4.309 -2.440 5.431 70 1HB HIS 12 2HB HIS 12 -1.576 -1.172 5.131 71 2HB HIS 12 1HB HIS 12 -2.939 -0.487 6.002 72 HD1 HIS 12 1HD HIS 12 -1.604 -0.414 8.203 73 HD2 HIS 12 2HD HIS 12 -1.962 -4.227 6.604 74 HE1 HIS 12 1HE HIS 12 -0.871 -1.980 10.028 75 HE2 HIS 12 2HE HIS 12 -1.210 -4.289 9.076 76 H SER 13 H SER 13 -4.411 -3.112 2.698 77 HA SER 13 HA SER 13 -3.873 -0.965 0.965 78 1HB SER 13 2HB SER 13 -4.408 -3.317 0.268 79 2HB SER 13 1HB SER 13 -6.091 -3.010 0.691 80 HG SER 13 HG SER 13 -5.387 -2.691 -1.593 81 H ASN 14 H ASN 14 -6.572 -1.713 3.036 82 HA ASN 14 HA ASN 14 -8.365 0.243 2.066 83 1HB ASN 14 2HB ASN 14 -9.386 -0.087 4.439 84 2HB ASN 14 1HB ASN 14 -9.414 -1.426 3.297 85 1HD2 ASN 14 1HD2 ASN 14 -8.965 -3.280 4.221 86 2HD2 ASN 14 2HD2 ASN 14 -7.843 -3.543 5.508 87 H LEU 15 H LEU 15 -5.814 0.325 4.454 88 HA LEU 15 HA LEU 15 -6.550 2.949 5.404 89 1HB LEU 15 2HB LEU 15 -4.121 1.259 5.983 90 2HB LEU 15 1HB LEU 15 -4.519 2.763 6.792 91 HG LEU 15 HG LEU 15 -6.176 0.240 6.893 92 1HD1 LEU 15 1HD1 LEU 15 -4.929 1.334 9.322 93 2HD1 LEU 15 2HD1 LEU 15 -3.820 0.623 8.150 94 3HD1 LEU 15 3HD1 LEU 15 -5.145 -0.339 8.806 95 1HD2 LEU 15 1HD2 LEU 15 -7.823 1.592 7.534 96 2HD2 LEU 15 2HD2 LEU 15 -6.751 2.991 7.565 97 3HD2 LEU 15 3HD2 LEU 15 -6.872 1.942 8.977 98 H CYS 16 H CYS 16 -3.878 1.556 3.556 99 HA CYS 16 HA CYS 16 -2.596 4.074 3.132 100 1HB CYS 16 2HB CYS 16 -2.207 1.416 1.752 101 2HB CYS 16 1HB CYS 16 -1.162 2.816 1.549 102 H GLY 17 H GLY 17 -5.045 2.280 1.440 103 1HA GLY 17 2HA GLY 17 -6.477 3.224 -0.170 104 2HA GLY 17 1HA GLY 17 -5.294 4.495 -0.446 105 H ALA 18 H ALA 18 -6.671 2.909 -2.410 106 HA ALA 18 HA ALA 18 -4.899 0.938 -3.477 107 1HB ALA 18 1HB ALA 18 -6.819 0.383 -4.447 108 2HB ALA 18 2HB ALA 18 -6.603 1.760 -5.527 109 3HB ALA 18 3HB ALA 18 -7.541 1.941 -4.044 110 H GLY 19 H GLY 19 -3.215 2.887 -3.128 111 1HA GLY 19 2HA GLY 19 -2.178 3.439 -5.704 112 2HA GLY 19 1HA GLY 19 -2.910 4.891 -5.029 113 H GLY 20 H GLY 20 -1.165 6.113 -4.517 114 1HA GLY 20 2HA GLY 20 0.782 4.880 -2.670 115 2HA GLY 20 1HA GLY 20 1.253 6.048 -3.893 116 H ALA 21 H ALA 21 0.767 5.712 -0.739 117 HA ALA 21 HA ALA 21 0.779 8.479 -0.170 118 1HB ALA 21 1HB ALA 21 -1.730 7.148 0.804 119 2HB ALA 21 2HB ALA 21 -1.687 7.991 -0.745 120 3HB ALA 21 3HB ALA 21 -1.337 8.866 0.744 121 H ALA 22 H ALA 22 1.511 8.831 1.867 122 HA ALA 22 HA ALA 22 2.360 8.469 3.931 123 1HB ALA 22 1HB ALA 22 1.416 6.287 5.106 124 2HB ALA 22 2HB ALA 22 0.211 6.434 3.827 125 3HB ALA 22 3HB ALA 22 0.465 7.765 4.956 126 H GLY 23 H GLY 23 4.018 7.359 4.997 127 1HA GLY 23 2HA GLY 23 5.389 5.414 3.271 128 2HA GLY 23 1HA GLY 23 6.167 6.437 4.471 Start of MODEL 14 1 1H GLY 1 H GLY 1 7.471 4.724 6.039 2 1HA GLY 1 2HA GLY 1 6.836 3.273 7.691 3 2HA GLY 1 1HA GLY 1 5.250 4.011 7.547 4 H CYS 2 H CYS 2 3.843 2.419 7.554 5 HA CYS 2 HA CYS 2 4.239 -0.218 6.728 6 1HB CYS 2 2HB CYS 2 2.436 0.320 8.208 7 2HB CYS 2 1HB CYS 2 1.731 1.431 7.050 8 H CYS 3 H CYS 3 2.692 2.476 5.068 9 HA CYS 3 HA CYS 3 1.883 1.150 2.770 10 1HB CYS 3 2HB CYS 3 2.778 4.025 2.949 11 2HB CYS 3 1HB CYS 3 1.684 3.331 1.759 12 H SER 4 H SER 4 5.054 2.231 3.651 13 HA SER 4 HA SER 4 6.158 2.238 1.024 14 1HB SER 4 2HB SER 4 7.152 3.420 3.019 15 2HB SER 4 1HB SER 4 7.647 1.842 3.627 16 HG SER 4 HG SER 4 8.712 1.636 1.475 17 H ASN 5 H ASN 5 5.355 -0.209 3.279 18 HA ASN 5 HA ASN 5 7.125 -2.174 2.037 19 1HB ASN 5 2HB ASN 5 5.370 -2.191 4.473 20 2HB ASN 5 1HB ASN 5 5.948 -3.703 3.781 21 1HD2 ASN 5 1HD2 ASN 5 6.603 -1.311 5.967 22 2HD2 ASN 5 2HD2 ASN 5 8.292 -1.594 6.183 23 HA PRO 6 HA PRO 6 4.043 -3.399 -0.908 24 1HB PRO 6 2HB PRO 6 5.488 -5.992 -0.783 25 2HB PRO 6 1HB PRO 6 5.112 -4.979 -2.180 26 1HG PRO 6 2HG PRO 6 7.589 -5.091 -1.205 27 2HG PRO 6 1HG PRO 6 6.913 -3.568 -1.809 28 1HD PRO 6 2HD PRO 6 7.299 -4.488 1.009 29 2HD PRO 6 1HD PRO 6 7.506 -2.868 0.312 30 H VAL 7 H VAL 7 4.993 -5.831 1.524 31 HA VAL 7 HA VAL 7 2.593 -7.299 1.432 32 HB VAL 7 HB VAL 7 4.511 -7.046 3.757 33 1HG1 VAL 7 1HG1 VAL 7 2.729 -8.132 4.700 34 2HG1 VAL 7 2HG1 VAL 7 3.609 -9.505 4.029 35 3HG1 VAL 7 3HG1 VAL 7 2.214 -8.848 3.172 36 1HG2 VAL 7 1HG2 VAL 7 5.809 -7.756 1.929 37 2HG2 VAL 7 2HG2 VAL 7 4.532 -8.812 1.326 38 3HG2 VAL 7 3HG2 VAL 7 5.398 -9.231 2.804 39 H CYS 8 H CYS 8 3.704 -4.755 3.626 40 HA CYS 8 HA CYS 8 1.421 -4.674 5.268 41 1HB CYS 8 2HB CYS 8 3.807 -3.558 5.483 42 2HB CYS 8 1HB CYS 8 3.005 -2.197 4.714 43 H HIS 9 H HIS 9 2.250 -3.061 2.260 44 HA HIS 9 HA HIS 9 0.157 -1.202 2.124 45 1HB HIS 9 2HB HIS 9 2.176 -1.340 0.607 46 2HB HIS 9 1HB HIS 9 1.372 -2.657 -0.228 47 HD1 HIS 9 1HD HIS 9 0.615 0.970 0.657 48 HD2 HIS 9 2HD HIS 9 -0.125 -1.830 -2.321 49 HE1 HIS 9 1HE HIS 9 -0.673 2.200 -1.117 50 HE2 HIS 9 2HE HIS 9 -1.254 0.444 -2.825 51 H LEU 10 H LEU 10 0.363 -4.546 1.014 52 HA LEU 10 HA LEU 10 -2.255 -4.585 -0.120 53 1HB LEU 10 2HB LEU 10 -0.144 -6.596 0.432 54 2HB LEU 10 1HB LEU 10 -1.781 -7.194 0.253 55 HG LEU 10 HG LEU 10 -0.582 -7.342 -1.855 56 1HD1 LEU 10 1HD1 LEU 10 -2.694 -7.084 -2.547 57 2HD1 LEU 10 2HD1 LEU 10 -2.156 -5.482 -3.055 58 3HD1 LEU 10 3HD1 LEU 10 -2.972 -5.688 -1.506 59 1HD2 LEU 10 1HD2 LEU 10 0.996 -5.800 -2.218 60 2HD2 LEU 10 2HD2 LEU 10 0.214 -4.619 -1.166 61 3HD2 LEU 10 3HD2 LEU 10 -0.320 -4.801 -2.837 62 H GLU 11 H GLU 11 -0.898 -5.773 2.934 63 HA GLU 11 HA GLU 11 -3.230 -6.921 3.981 64 1HB GLU 11 2HB GLU 11 -0.945 -7.245 4.902 65 2HB GLU 11 1HB GLU 11 -0.968 -5.590 5.486 66 1HG GLU 11 2HG GLU 11 -2.893 -6.149 6.916 67 2HG GLU 11 1HG GLU 11 -2.781 -7.822 6.371 68 H HIS 12 H HIS 12 -1.949 -3.657 4.184 69 HA HIS 12 HA HIS 12 -4.466 -2.775 5.434 70 1HB HIS 12 2HB HIS 12 -1.776 -1.379 5.436 71 2HB HIS 12 1HB HIS 12 -3.219 -0.871 6.312 72 HD1 HIS 12 1HD HIS 12 -4.020 -2.585 8.248 73 HD2 HIS 12 2HD HIS 12 -0.194 -3.162 6.756 74 HE1 HIS 12 1HE HIS 12 -2.881 -4.102 9.890 75 HE2 HIS 12 2HE HIS 12 -0.716 -4.712 8.749 76 H SER 13 H SER 13 -4.566 -3.275 2.806 77 HA SER 13 HA SER 13 -3.874 -1.262 1.019 78 1HB SER 13 2HB SER 13 -6.017 -2.237 -0.196 79 2HB SER 13 1HB SER 13 -4.547 -3.197 -0.028 80 HG SER 13 HG SER 13 -5.565 -4.521 1.247 81 H ASN 14 H ASN 14 -6.775 -1.638 2.990 82 HA ASN 14 HA ASN 14 -8.230 0.516 1.920 83 1HB ASN 14 2HB ASN 14 -9.253 -1.223 3.333 84 2HB ASN 14 1HB ASN 14 -8.339 -0.633 4.717 85 1HD2 ASN 14 1HD2 ASN 14 -9.467 0.597 6.033 86 2HD2 ASN 14 2HD2 ASN 14 -10.781 1.625 5.594 87 H LEU 15 H LEU 15 -5.845 0.331 4.480 88 HA LEU 15 HA LEU 15 -6.177 3.013 5.376 89 1HB LEU 15 2HB LEU 15 -3.956 1.017 5.778 90 2HB LEU 15 1HB LEU 15 -3.936 2.619 6.486 91 HG LEU 15 HG LEU 15 -4.657 1.163 8.192 92 1HD1 LEU 15 1HD1 LEU 15 -6.967 2.626 6.956 93 2HD1 LEU 15 2HD1 LEU 15 -5.927 3.134 8.287 94 3HD1 LEU 15 3HD1 LEU 15 -7.076 1.817 8.519 95 1HD2 LEU 15 1HD2 LEU 15 -6.240 -0.127 6.034 96 2HD2 LEU 15 2HD2 LEU 15 -6.870 -0.189 7.680 97 3HD2 LEU 15 3HD2 LEU 15 -5.275 -0.850 7.322 98 H CYS 16 H CYS 16 -3.649 1.420 3.472 99 HA CYS 16 HA CYS 16 -2.554 3.994 2.686 100 1HB CYS 16 2HB CYS 16 -1.731 1.198 1.883 101 2HB CYS 16 1HB CYS 16 -0.846 2.672 1.516 102 H GLY 17 H GLY 17 -5.237 3.387 1.832 103 1HA GLY 17 2HA GLY 17 -5.132 2.661 -0.950 104 2HA GLY 17 1HA GLY 17 -6.549 3.201 -0.071 105 H ALA 18 H ALA 18 -5.624 5.602 0.873 106 HA ALA 18 HA ALA 18 -4.629 7.196 -1.317 107 1HB ALA 18 1HB ALA 18 -6.917 7.064 -2.017 108 2HB ALA 18 2HB ALA 18 -6.644 8.675 -1.353 109 3HB ALA 18 3HB ALA 18 -7.488 7.459 -0.396 110 H GLY 19 H GLY 19 -3.627 6.704 1.231 111 1HA GLY 19 2HA GLY 19 -3.395 9.404 2.204 112 2HA GLY 19 1HA GLY 19 -4.240 8.337 3.316 113 H GLY 20 H GLY 20 -1.588 7.449 1.180 114 1HA GLY 20 2HA GLY 20 0.575 7.751 2.845 115 2HA GLY 20 1HA GLY 20 -0.157 6.227 3.326 116 H ALA 21 H ALA 21 2.319 7.297 1.695 117 HA ALA 21 HA ALA 21 2.572 4.940 0.093 118 1HB ALA 21 1HB ALA 21 1.967 5.691 -1.913 119 2HB ALA 21 2HB ALA 21 3.064 7.062 -1.764 120 3HB ALA 21 3HB ALA 21 1.411 7.186 -1.162 121 H ALA 22 H ALA 22 4.686 4.470 -0.256 122 HA ALA 22 HA ALA 22 6.933 4.509 0.040 123 1HB ALA 22 1HB ALA 22 6.267 7.096 -1.184 124 2HB ALA 22 2HB ALA 22 7.429 5.866 -1.681 125 3HB ALA 22 3HB ALA 22 7.849 7.014 -0.410 126 H GLY 23 H GLY 23 5.501 4.708 2.406 127 1HA GLY 23 2HA GLY 23 7.516 5.732 4.142 128 2HA GLY 23 1HA GLY 23 6.082 6.748 4.152 Start of MODEL 15 1 1H GLY 1 H GLY 1 7.806 3.865 5.556 2 1HA GLY 1 2HA GLY 1 7.300 2.652 7.502 3 2HA GLY 1 1HA GLY 1 5.785 3.527 7.627 4 H CYS 2 H CYS 2 4.202 2.139 7.580 5 HA CYS 2 HA CYS 2 4.251 -0.457 6.607 6 1HB CYS 2 2HB CYS 2 2.627 0.236 8.234 7 2HB CYS 2 1HB CYS 2 1.927 1.396 7.119 8 H CYS 3 H CYS 3 2.736 2.383 5.097 9 HA CYS 3 HA CYS 3 1.772 1.053 2.852 10 1HB CYS 3 2HB CYS 3 2.584 3.952 3.029 11 2HB CYS 3 1HB CYS 3 1.477 3.248 1.854 12 H SER 4 H SER 4 4.971 2.313 3.462 13 HA SER 4 HA SER 4 5.840 2.212 0.751 14 1HB SER 4 2HB SER 4 7.437 2.171 3.322 15 2HB SER 4 1HB SER 4 8.114 2.408 1.709 16 HG SER 4 HG SER 4 7.104 4.342 1.556 17 H ASN 5 H ASN 5 5.356 -0.117 3.205 18 HA ASN 5 HA ASN 5 7.089 -2.096 1.939 19 1HB ASN 5 2HB ASN 5 5.530 -1.978 4.493 20 2HB ASN 5 1HB ASN 5 5.955 -3.552 3.827 21 1HD2 ASN 5 1HD2 ASN 5 6.967 -1.027 5.756 22 2HD2 ASN 5 2HD2 ASN 5 8.640 -1.441 5.863 23 HA PRO 6 HA PRO 6 3.812 -3.344 -0.802 24 1HB PRO 6 2HB PRO 6 5.420 -5.847 -0.869 25 2HB PRO 6 1HB PRO 6 4.832 -4.850 -2.203 26 1HG PRO 6 2HG PRO 6 7.397 -4.790 -1.494 27 2HG PRO 6 1HG PRO 6 6.554 -3.310 -1.987 28 1HD PRO 6 2HD PRO 6 7.310 -4.242 0.749 29 2HD PRO 6 1HD PRO 6 7.307 -2.599 0.076 30 H VAL 7 H VAL 7 5.067 -5.650 1.603 31 HA VAL 7 HA VAL 7 2.806 -7.337 1.613 32 HB VAL 7 HB VAL 7 4.792 -6.882 3.849 33 1HG1 VAL 7 1HG1 VAL 7 3.096 -9.313 3.309 34 2HG1 VAL 7 2HG1 VAL 7 2.667 -8.051 4.465 35 3HG1 VAL 7 3HG1 VAL 7 4.130 -9.007 4.706 36 1HG2 VAL 7 1HG2 VAL 7 6.238 -8.352 2.874 37 2HG2 VAL 7 2HG2 VAL 7 5.528 -7.641 1.424 38 3HG2 VAL 7 3HG2 VAL 7 4.962 -9.206 2.005 39 H CYS 8 H CYS 8 3.772 -4.689 3.769 40 HA CYS 8 HA CYS 8 1.481 -4.822 5.424 41 1HB CYS 8 2HB CYS 8 3.764 -3.614 5.800 42 2HB CYS 8 1HB CYS 8 2.992 -2.278 4.961 43 H HIS 9 H HIS 9 2.290 -2.980 2.542 44 HA HIS 9 HA HIS 9 0.050 -1.282 2.490 45 1HB HIS 9 2HB HIS 9 2.211 -1.200 1.081 46 2HB HIS 9 1HB HIS 9 1.397 -2.327 0.011 47 HD1 HIS 9 1HD HIS 9 2.240 0.640 -0.730 48 HD2 HIS 9 2HD HIS 9 -1.572 -0.628 0.330 49 HE1 HIS 9 1HE HIS 9 0.664 2.312 -1.752 50 HE2 HIS 9 2HE HIS 9 -1.607 1.661 -0.867 51 H LEU 10 H LEU 10 0.584 -4.498 1.131 52 HA LEU 10 HA LEU 10 -1.830 -4.699 -0.298 53 1HB LEU 10 2HB LEU 10 0.076 -6.233 -0.589 54 2HB LEU 10 1HB LEU 10 -0.216 -6.894 1.007 55 HG LEU 10 HG LEU 10 -2.431 -7.705 0.233 56 1HD1 LEU 10 1HD1 LEU 10 -1.467 -6.777 -2.468 57 2HD1 LEU 10 2HD1 LEU 10 -2.808 -6.090 -1.551 58 3HD1 LEU 10 3HD1 LEU 10 -2.911 -7.742 -2.161 59 1HD2 LEU 10 1HD2 LEU 10 -1.599 -9.602 -0.891 60 2HD2 LEU 10 2HD2 LEU 10 -0.289 -9.054 0.156 61 3HD2 LEU 10 3HD2 LEU 10 -0.243 -8.700 -1.571 62 H GLU 11 H GLU 11 -0.978 -5.803 2.963 63 HA GLU 11 HA GLU 11 -3.536 -6.776 3.657 64 1HB GLU 11 2HB GLU 11 -1.490 -7.429 4.841 65 2HB GLU 11 1HB GLU 11 -1.275 -5.778 5.403 66 1HG GLU 11 2HG GLU 11 -2.150 -6.974 7.219 67 2HG GLU 11 1HG GLU 11 -3.488 -6.020 6.584 68 H HIS 12 H HIS 12 -1.892 -3.721 4.349 69 HA HIS 12 HA HIS 12 -4.354 -2.591 5.438 70 1HB HIS 12 2HB HIS 12 -1.635 -1.281 5.162 71 2HB HIS 12 1HB HIS 12 -3.003 -0.659 6.070 72 HD1 HIS 12 1HD HIS 12 -1.624 -0.609 8.251 73 HD2 HIS 12 2HD HIS 12 -1.929 -4.389 6.563 74 HE1 HIS 12 1HE HIS 12 -0.822 -2.204 10.022 75 HE2 HIS 12 2HE HIS 12 -1.127 -4.495 9.017 76 H SER 13 H SER 13 -4.566 -3.240 2.778 77 HA SER 13 HA SER 13 -3.896 -1.263 0.933 78 1HB SER 13 2HB SER 13 -4.746 -3.551 0.390 79 2HB SER 13 1HB SER 13 -6.360 -3.021 0.864 80 HG SER 13 HG SER 13 -5.849 -2.895 -1.438 81 H ASN 14 H ASN 14 -6.785 -1.590 2.951 82 HA ASN 14 HA ASN 14 -8.198 0.603 1.891 83 1HB ASN 14 2HB ASN 14 -9.253 -1.152 3.269 84 2HB ASN 14 1HB ASN 14 -8.362 -0.574 4.673 85 1HD2 ASN 14 1HD2 ASN 14 -9.502 0.669 5.970 86 2HD2 ASN 14 2HD2 ASN 14 -10.801 1.706 5.507 87 H LEU 15 H LEU 15 -5.938 0.333 4.572 88 HA LEU 15 HA LEU 15 -6.216 3.012 5.465 89 1HB LEU 15 2HB LEU 15 -3.945 1.068 5.873 90 2HB LEU 15 1HB LEU 15 -4.152 2.575 6.744 91 HG LEU 15 HG LEU 15 -6.023 0.207 6.864 92 1HD1 LEU 15 1HD1 LEU 15 -3.584 0.748 8.212 93 2HD1 LEU 15 2HD1 LEU 15 -4.707 -0.590 8.456 94 3HD1 LEU 15 3HD1 LEU 15 -4.904 0.904 9.371 95 1HD2 LEU 15 1HD2 LEU 15 -6.075 2.879 8.258 96 2HD2 LEU 15 2HD2 LEU 15 -7.045 1.488 8.746 97 3HD2 LEU 15 3HD2 LEU 15 -7.286 2.218 7.158 98 H CYS 16 H CYS 16 -3.864 1.373 3.418 99 HA CYS 16 HA CYS 16 -2.588 3.916 2.776 100 1HB CYS 16 2HB CYS 16 -1.905 1.106 1.925 101 2HB CYS 16 1HB CYS 16 -0.942 2.535 1.581 102 H GLY 17 H GLY 17 -5.202 3.718 1.920 103 1HA GLY 17 2HA GLY 17 -5.527 2.795 -0.728 104 2HA GLY 17 1HA GLY 17 -6.543 3.985 0.077 105 H ALA 18 H ALA 18 -5.006 3.632 -2.634 106 HA ALA 18 HA ALA 18 -4.037 4.957 -4.206 107 1HB ALA 18 1HB ALA 18 -5.669 6.831 -2.588 108 2HB ALA 18 2HB ALA 18 -5.755 6.443 -4.307 109 3HB ALA 18 3HB ALA 18 -4.504 7.534 -3.712 110 H GLY 19 H GLY 19 -2.417 4.114 -2.058 111 1HA GLY 19 2HA GLY 19 -0.036 4.581 -1.991 112 2HA GLY 19 1HA GLY 19 -0.434 6.295 -2.018 113 H GLY 20 H GLY 20 -2.281 6.618 -0.138 114 1HA GLY 20 2HA GLY 20 -2.740 6.634 2.117 115 2HA GLY 20 1HA GLY 20 -1.703 5.228 2.298 116 H ALA 21 H ALA 21 -0.560 5.864 4.054 117 HA ALA 21 HA ALA 21 0.588 8.484 4.270 118 1HB ALA 21 1HB ALA 21 1.274 7.868 6.399 119 2HB ALA 21 2HB ALA 21 1.408 6.163 5.972 120 3HB ALA 21 3HB ALA 21 -0.182 6.900 6.167 121 H ALA 22 H ALA 22 2.548 9.135 3.641 122 HA ALA 22 HA ALA 22 4.184 7.388 2.076 123 1HB ALA 22 1HB ALA 22 5.695 9.399 1.952 124 2HB ALA 22 2HB ALA 22 4.523 10.247 2.960 125 3HB ALA 22 3HB ALA 22 4.051 9.653 1.368 126 H GLY 23 H GLY 23 5.582 5.991 2.900 127 1HA GLY 23 2HA GLY 23 7.561 5.460 4.072 128 2HA GLY 23 1HA GLY 23 7.255 6.812 5.151 Start of MODEL 16 1 1H GLY 1 H GLY 1 8.258 3.517 5.824 2 1HA GLY 1 2HA GLY 1 6.105 4.236 7.432 3 2HA GLY 1 1HA GLY 1 5.672 4.654 5.778 4 H CYS 2 H CYS 2 4.493 2.627 7.529 5 HA CYS 2 HA CYS 2 5.357 0.048 6.788 6 1HB CYS 2 2HB CYS 2 3.733 0.763 8.684 7 2HB CYS 2 1HB CYS 2 2.489 0.690 7.441 8 H CYS 3 H CYS 3 2.994 2.266 5.403 9 HA CYS 3 HA CYS 3 1.867 0.588 3.483 10 1HB CYS 3 2HB CYS 3 2.317 3.571 3.307 11 2HB CYS 3 1HB CYS 3 1.164 2.641 2.357 12 H SER 4 H SER 4 4.937 2.208 3.514 13 HA SER 4 HA SER 4 5.458 2.145 0.736 14 1HB SER 4 2HB SER 4 7.492 2.065 2.971 15 2HB SER 4 1HB SER 4 7.723 2.676 1.331 16 HG SER 4 HG SER 4 7.365 4.372 2.823 17 H ASN 5 H ASN 5 5.445 -0.262 3.168 18 HA ASN 5 HA ASN 5 7.161 -2.091 1.688 19 1HB ASN 5 2HB ASN 5 5.660 -2.326 4.300 20 2HB ASN 5 1HB ASN 5 6.483 -3.694 3.558 21 1HD2 ASN 5 1HD2 ASN 5 6.787 -1.282 5.757 22 2HD2 ASN 5 2HD2 ASN 5 8.509 -1.182 5.837 23 HA PRO 6 HA PRO 6 3.902 -3.589 -0.900 24 1HB PRO 6 2HB PRO 6 4.981 -6.164 -1.155 25 2HB PRO 6 1HB PRO 6 5.302 -4.784 -2.207 26 1HG PRO 6 2HG PRO 6 6.905 -5.849 0.067 27 2HG PRO 6 1HG PRO 6 7.454 -5.124 -1.455 28 1HD PRO 6 2HD PRO 6 7.539 -3.754 0.840 29 2HD PRO 6 1HD PRO 6 7.108 -2.956 -0.688 30 H VAL 7 H VAL 7 5.042 -5.769 1.686 31 HA VAL 7 HA VAL 7 2.740 -7.382 1.757 32 HB VAL 7 HB VAL 7 4.635 -6.801 4.040 33 1HG1 VAL 7 1HG1 VAL 7 2.277 -8.132 4.176 34 2HG1 VAL 7 2HG1 VAL 7 3.665 -8.456 5.215 35 3HG1 VAL 7 3HG1 VAL 7 3.384 -9.447 3.783 36 1HG2 VAL 7 1HG2 VAL 7 5.951 -8.653 3.309 37 2HG2 VAL 7 2HG2 VAL 7 5.735 -7.577 1.929 38 3HG2 VAL 7 3HG2 VAL 7 4.785 -9.057 2.049 39 H CYS 8 H CYS 8 3.704 -4.650 3.806 40 HA CYS 8 HA CYS 8 1.340 -4.589 5.354 41 1HB CYS 8 2HB CYS 8 3.556 -3.469 5.878 42 2HB CYS 8 1HB CYS 8 3.093 -2.224 4.736 43 H HIS 9 H HIS 9 2.327 -2.947 2.411 44 HA HIS 9 HA HIS 9 0.185 -1.161 2.171 45 1HB HIS 9 2HB HIS 9 2.366 -1.358 0.776 46 2HB HIS 9 1HB HIS 9 1.443 -2.466 -0.227 47 HD1 HIS 9 1HD HIS 9 2.361 -0.048 -1.652 48 HD2 HIS 9 2HD HIS 9 -1.172 -0.062 0.536 49 HE1 HIS 9 1HE HIS 9 0.972 1.824 -2.598 50 HE2 HIS 9 2HE HIS 9 -1.210 1.722 -1.334 51 H LEU 10 H LEU 10 0.528 -4.496 1.015 52 HA LEU 10 HA LEU 10 -2.009 -4.575 -0.271 53 1HB LEU 10 2HB LEU 10 -0.228 -6.798 0.725 54 2HB LEU 10 1HB LEU 10 -1.676 -7.052 -0.229 55 HG LEU 10 HG LEU 10 0.781 -5.551 -1.138 56 1HD1 LEU 10 1HD1 LEU 10 1.482 -7.718 -1.264 57 2HD1 LEU 10 2HD1 LEU 10 0.654 -7.583 -2.814 58 3HD1 LEU 10 3HD1 LEU 10 -0.152 -8.355 -1.449 59 1HD2 LEU 10 1HD2 LEU 10 -0.587 -6.044 -3.383 60 2HD2 LEU 10 2HD2 LEU 10 -0.777 -4.559 -2.450 61 3HD2 LEU 10 3HD2 LEU 10 -1.936 -5.874 -2.261 62 H GLU 11 H GLU 11 -0.855 -5.670 2.895 63 HA GLU 11 HA GLU 11 -3.300 -6.768 3.763 64 1HB GLU 11 2HB GLU 11 -1.106 -7.261 4.789 65 2HB GLU 11 1HB GLU 11 -1.038 -5.619 5.409 66 1HG GLU 11 2HG GLU 11 -3.102 -6.094 6.713 67 2HG GLU 11 1HG GLU 11 -2.995 -7.771 6.179 68 H HIS 12 H HIS 12 -1.895 -3.545 4.102 69 HA HIS 12 HA HIS 12 -4.389 -2.619 5.364 70 1HB HIS 12 2HB HIS 12 -1.790 -1.077 5.164 71 2HB HIS 12 1HB HIS 12 -3.184 -0.683 6.155 72 HD1 HIS 12 1HD HIS 12 -1.605 -0.636 8.248 73 HD2 HIS 12 2HD HIS 12 -1.835 -4.318 6.353 74 HE1 HIS 12 1HE HIS 12 -0.593 -2.292 9.855 75 HE2 HIS 12 2HE HIS 12 -0.740 -4.525 8.670 76 H SER 13 H SER 13 -4.371 -3.137 2.557 77 HA SER 13 HA SER 13 -3.849 -0.877 0.989 78 1HB SER 13 2HB SER 13 -5.821 -3.128 0.605 79 2HB SER 13 1HB SER 13 -5.530 -1.883 -0.609 80 HG SER 13 HG SER 13 -3.233 -3.008 0.368 81 H ASN 14 H ASN 14 -6.646 -1.698 2.926 82 HA ASN 14 HA ASN 14 -8.423 0.215 1.894 83 1HB ASN 14 2HB ASN 14 -9.206 -1.636 3.252 84 2HB ASN 14 1HB ASN 14 -8.284 -1.056 4.632 85 1HD2 ASN 14 1HD2 ASN 14 -11.243 -0.991 3.037 86 2HD2 ASN 14 2HD2 ASN 14 -11.994 0.264 3.953 87 H LEU 15 H LEU 15 -6.129 0.391 4.567 88 HA LEU 15 HA LEU 15 -6.850 3.113 5.171 89 1HB LEU 15 2HB LEU 15 -4.714 1.304 6.275 90 2HB LEU 15 1HB LEU 15 -4.934 2.958 6.802 91 HG LEU 15 HG LEU 15 -5.983 1.637 8.434 92 1HD1 LEU 15 1HD1 LEU 15 -7.835 2.972 6.540 93 2HD1 LEU 15 2HD1 LEU 15 -7.443 3.365 8.214 94 3HD1 LEU 15 3HD1 LEU 15 -8.524 2.018 7.855 95 1HD2 LEU 15 1HD2 LEU 15 -7.274 0.112 6.181 96 2HD2 LEU 15 2HD2 LEU 15 -7.702 -0.073 7.882 97 3HD2 LEU 15 3HD2 LEU 15 -6.076 -0.483 7.331 98 H CYS 16 H CYS 16 -4.012 1.483 3.838 99 HA CYS 16 HA CYS 16 -2.508 3.865 3.501 100 1HB CYS 16 2HB CYS 16 -2.193 1.134 2.255 101 2HB CYS 16 1HB CYS 16 -1.031 2.443 2.070 102 H GLY 17 H GLY 17 -4.608 2.019 1.327 103 1HA GLY 17 2HA GLY 17 -5.484 2.559 -0.727 104 2HA GLY 17 1HA GLY 17 -5.177 4.240 -0.306 105 H ALA 18 H ALA 18 -4.121 5.138 -1.964 106 HA ALA 18 HA ALA 18 -2.107 3.590 -3.402 107 1HB ALA 18 1HB ALA 18 -2.217 6.164 -4.486 108 2HB ALA 18 2HB ALA 18 -3.882 5.758 -4.073 109 3HB ALA 18 3HB ALA 18 -2.955 4.699 -5.136 110 H GLY 19 H GLY 19 -2.027 5.032 -0.617 111 1HA GLY 19 2HA GLY 19 0.169 6.876 -0.961 112 2HA GLY 19 1HA GLY 19 -0.571 6.399 0.557 113 H GLY 20 H GLY 20 2.261 6.556 -0.626 114 1HA GLY 20 2HA GLY 20 3.495 4.689 0.991 115 2HA GLY 20 1HA GLY 20 3.330 3.925 -0.579 116 H ALA 21 H ALA 21 5.311 5.714 1.302 117 HA ALA 21 HA ALA 21 7.300 6.090 -0.634 118 1HB ALA 21 1HB ALA 21 7.076 8.180 -1.428 119 2HB ALA 21 2HB ALA 21 6.552 8.815 0.131 120 3HB ALA 21 3HB ALA 21 5.389 8.028 -0.935 121 H ALA 22 H ALA 22 9.235 6.662 0.299 122 HA ALA 22 HA ALA 22 10.789 6.880 1.944 123 1HB ALA 22 1HB ALA 22 8.719 8.667 3.208 124 2HB ALA 22 2HB ALA 22 9.896 9.160 1.991 125 3HB ALA 22 3HB ALA 22 10.442 8.634 3.583 126 H GLY 23 H GLY 23 10.231 7.361 4.758 127 1HA GLY 23 2HA GLY 23 10.052 4.646 5.603 128 2HA GLY 23 1HA GLY 23 10.162 6.054 6.651 Start of MODEL 17 1 1H GLY 1 H GLY 1 6.460 4.562 4.449 2 1HA GLY 1 2HA GLY 1 7.213 4.146 6.895 3 2HA GLY 1 1HA GLY 1 5.515 4.456 7.233 4 H CYS 2 H CYS 2 4.459 2.635 7.590 5 HA CYS 2 HA CYS 2 5.383 0.085 6.806 6 1HB CYS 2 2HB CYS 2 3.744 0.728 8.710 7 2HB CYS 2 1HB CYS 2 2.503 0.673 7.464 8 H CYS 3 H CYS 3 3.036 2.322 5.441 9 HA CYS 3 HA CYS 3 1.922 0.669 3.486 10 1HB CYS 3 2HB CYS 3 2.324 3.661 3.510 11 2HB CYS 3 1HB CYS 3 1.329 2.803 2.336 12 H SER 4 H SER 4 5.005 2.237 3.601 13 HA SER 4 HA SER 4 5.560 2.271 0.827 14 1HB SER 4 2HB SER 4 7.533 2.074 3.115 15 2HB SER 4 1HB SER 4 7.857 2.669 1.485 16 HG SER 4 HG SER 4 6.486 4.411 1.888 17 H ASN 5 H ASN 5 5.471 -0.203 3.186 18 HA ASN 5 HA ASN 5 7.114 -2.049 1.648 19 1HB ASN 5 2HB ASN 5 5.648 -2.280 4.280 20 2HB ASN 5 1HB ASN 5 6.407 -3.665 3.499 21 1HD2 ASN 5 1HD2 ASN 5 6.837 -1.307 5.736 22 2HD2 ASN 5 2HD2 ASN 5 8.563 -1.268 5.783 23 HA PRO 6 HA PRO 6 3.728 -3.370 -0.890 24 1HB PRO 6 2HB PRO 6 4.786 -5.905 -1.387 25 2HB PRO 6 1HB PRO 6 5.103 -4.447 -2.329 26 1HG PRO 6 2HG PRO 6 6.738 -5.708 -0.177 27 2HG PRO 6 1HG PRO 6 7.266 -4.898 -1.663 28 1HD PRO 6 2HD PRO 6 7.433 -3.684 0.716 29 2HD PRO 6 1HD PRO 6 6.992 -2.779 -0.750 30 H VAL 7 H VAL 7 5.012 -5.615 1.554 31 HA VAL 7 HA VAL 7 2.766 -7.311 1.650 32 HB VAL 7 HB VAL 7 4.722 -6.735 3.885 33 1HG1 VAL 7 1HG1 VAL 7 2.668 -7.928 4.566 34 2HG1 VAL 7 2HG1 VAL 7 4.122 -8.911 4.739 35 3HG1 VAL 7 3HG1 VAL 7 3.031 -9.180 3.379 36 1HG2 VAL 7 1HG2 VAL 7 5.975 -8.666 3.051 37 2HG2 VAL 7 2HG2 VAL 7 5.892 -7.380 1.846 38 3HG2 VAL 7 3HG2 VAL 7 4.860 -8.802 1.691 39 H CYS 8 H CYS 8 3.704 -4.564 3.690 40 HA CYS 8 HA CYS 8 1.422 -4.625 5.357 41 1HB CYS 8 2HB CYS 8 3.595 -3.410 5.801 42 2HB CYS 8 1HB CYS 8 3.054 -2.189 4.666 43 H HIS 9 H HIS 9 2.212 -2.867 2.413 44 HA HIS 9 HA HIS 9 -0.070 -1.240 2.271 45 1HB HIS 9 2HB HIS 9 2.066 -1.183 0.829 46 2HB HIS 9 1HB HIS 9 1.269 -2.389 -0.167 47 HD1 HIS 9 1HD HIS 9 -1.441 -1.449 -0.659 48 HD2 HIS 9 2HD HIS 9 1.698 1.251 -0.288 49 HE1 HIS 9 1HE HIS 9 -2.215 0.645 -1.811 50 HE2 HIS 9 2HE HIS 9 -0.394 2.325 -1.370 51 H LEU 10 H LEU 10 0.511 -4.531 1.211 52 HA LEU 10 HA LEU 10 -1.890 -4.866 -0.250 53 1HB LEU 10 2HB LEU 10 0.063 -6.347 -0.479 54 2HB LEU 10 1HB LEU 10 -0.196 -6.939 1.149 55 HG LEU 10 HG LEU 10 -2.389 -7.858 0.431 56 1HD1 LEU 10 1HD1 LEU 10 -2.759 -8.081 -2.029 57 2HD1 LEU 10 2HD1 LEU 10 -1.470 -6.901 -2.272 58 3HD1 LEU 10 3HD1 LEU 10 -2.936 -6.441 -1.407 59 1HD2 LEU 10 1HD2 LEU 10 -0.748 -9.196 -1.514 60 2HD2 LEU 10 2HD2 LEU 10 -1.312 -9.763 0.058 61 3HD2 LEU 10 3HD2 LEU 10 0.183 -8.835 -0.062 62 H GLU 11 H GLU 11 -1.000 -5.807 3.064 63 HA GLU 11 HA GLU 11 -3.555 -6.801 3.768 64 1HB GLU 11 2HB GLU 11 -1.539 -7.431 4.995 65 2HB GLU 11 1HB GLU 11 -1.303 -5.765 5.500 66 1HG GLU 11 2HG GLU 11 -3.693 -6.065 6.531 67 2HG GLU 11 1HG GLU 11 -3.278 -7.776 6.451 68 H HIS 12 H HIS 12 -1.940 -3.720 4.416 69 HA HIS 12 HA HIS 12 -4.421 -2.580 5.457 70 1HB HIS 12 2HB HIS 12 -1.762 -1.162 5.140 71 2HB HIS 12 1HB HIS 12 -3.123 -0.663 6.132 72 HD1 HIS 12 1HD HIS 12 -1.658 -0.590 8.266 73 HD2 HIS 12 2HD HIS 12 -1.770 -4.311 6.440 74 HE1 HIS 12 1HE HIS 12 -0.642 -2.190 9.925 75 HE2 HIS 12 2HE HIS 12 -0.849 -4.463 8.838 76 H SER 13 H SER 13 -4.635 -3.297 2.837 77 HA SER 13 HA SER 13 -3.937 -1.427 0.907 78 1HB SER 13 2HB SER 13 -6.222 -2.414 -0.112 79 2HB SER 13 1HB SER 13 -4.715 -3.331 -0.071 80 HG SER 13 HG SER 13 -5.580 -4.654 1.310 81 H ASN 14 H ASN 14 -6.909 -1.620 2.829 82 HA ASN 14 HA ASN 14 -8.188 0.597 1.657 83 1HB ASN 14 2HB ASN 14 -8.545 -0.643 4.390 84 2HB ASN 14 1HB ASN 14 -9.616 0.578 3.710 85 1HD2 ASN 14 1HD2 ASN 14 -9.316 -2.613 4.230 86 2HD2 ASN 14 2HD2 ASN 14 -10.297 -3.223 2.947 87 H LEU 15 H LEU 15 -6.056 0.316 4.429 88 HA LEU 15 HA LEU 15 -6.338 3.022 5.266 89 1HB LEU 15 2HB LEU 15 -4.151 1.035 5.874 90 2HB LEU 15 1HB LEU 15 -4.405 2.555 6.711 91 HG LEU 15 HG LEU 15 -6.335 0.232 6.697 92 1HD1 LEU 15 1HD1 LEU 15 -5.668 -0.128 8.981 93 2HD1 LEU 15 2HD1 LEU 15 -4.571 1.251 8.918 94 3HD1 LEU 15 3HD1 LEU 15 -4.239 -0.184 7.948 95 1HD2 LEU 15 1HD2 LEU 15 -7.687 2.078 7.020 96 2HD2 LEU 15 2HD2 LEU 15 -6.429 2.984 7.860 97 3HD2 LEU 15 3HD2 LEU 15 -7.248 1.651 8.674 98 H CYS 16 H CYS 16 -3.833 1.264 3.513 99 HA CYS 16 HA CYS 16 -2.320 3.663 2.983 100 1HB CYS 16 2HB CYS 16 -1.979 0.853 1.931 101 2HB CYS 16 1HB CYS 16 -0.813 2.160 1.762 102 H GLY 17 H GLY 17 -4.976 3.733 1.982 103 1HA GLY 17 2HA GLY 17 -4.376 4.260 -0.828 104 2HA GLY 17 1HA GLY 17 -5.689 3.144 -0.484 105 H ALA 18 H ALA 18 -5.030 5.722 1.673 106 HA ALA 18 HA ALA 18 -6.973 7.524 0.511 107 1HB ALA 18 1HB ALA 18 -7.476 6.254 3.205 108 2HB ALA 18 2HB ALA 18 -8.404 5.963 1.735 109 3HB ALA 18 3HB ALA 18 -8.420 7.559 2.487 110 H GLY 19 H GLY 19 -4.243 7.791 0.930 111 1HA GLY 19 2HA GLY 19 -4.189 10.189 2.495 112 2HA GLY 19 1HA GLY 19 -3.305 8.875 3.257 113 H GLY 20 H GLY 20 -2.696 11.527 1.719 114 1HA GLY 20 2HA GLY 20 -0.976 10.602 -0.409 115 2HA GLY 20 1HA GLY 20 -1.175 12.264 0.130 116 H ALA 21 H ALA 21 1.176 10.368 -0.396 117 HA ALA 21 HA ALA 21 3.281 10.035 0.370 118 1HB ALA 21 1HB ALA 21 2.462 12.599 1.553 119 2HB ALA 21 2HB ALA 21 3.887 12.187 0.600 120 3HB ALA 21 3HB ALA 21 3.842 11.817 2.324 121 H ALA 22 H ALA 22 1.529 8.270 1.410 122 HA ALA 22 HA ALA 22 1.650 8.110 4.262 123 1HB ALA 22 1HB ALA 22 0.519 6.016 4.029 124 2HB ALA 22 2HB ALA 22 0.956 5.910 2.324 125 3HB ALA 22 3HB ALA 22 -0.180 7.144 2.868 126 H GLY 23 H GLY 23 4.148 8.483 3.920 127 1HA GLY 23 2HA GLY 23 5.743 6.217 3.247 128 2HA GLY 23 1HA GLY 23 6.291 7.660 4.089 Start of MODEL 18 1 1H GLY 1 H GLY 1 7.041 3.769 5.041 2 1HA GLY 1 2HA GLY 1 6.977 3.155 7.629 3 2HA GLY 1 1HA GLY 1 5.410 3.933 7.450 4 H CYS 2 H CYS 2 3.941 2.399 7.490 5 HA CYS 2 HA CYS 2 4.295 -0.281 6.735 6 1HB CYS 2 2HB CYS 2 2.542 0.278 8.252 7 2HB CYS 2 1HB CYS 2 1.837 1.422 7.127 8 H CYS 3 H CYS 3 2.725 2.406 5.079 9 HA CYS 3 HA CYS 3 1.871 1.038 2.819 10 1HB CYS 3 2HB CYS 3 2.690 3.939 2.967 11 2HB CYS 3 1HB CYS 3 1.593 3.211 1.796 12 H SER 4 H SER 4 5.034 2.286 3.569 13 HA SER 4 HA SER 4 6.075 2.261 0.934 14 1HB SER 4 2HB SER 4 7.706 1.795 3.424 15 2HB SER 4 1HB SER 4 8.187 2.609 1.935 16 HG SER 4 HG SER 4 6.526 4.208 2.501 17 H ASN 5 H ASN 5 5.414 -0.174 3.258 18 HA ASN 5 HA ASN 5 7.122 -2.146 1.950 19 1HB ASN 5 2HB ASN 5 5.458 -2.153 4.453 20 2HB ASN 5 1HB ASN 5 6.033 -3.662 3.753 21 1HD2 ASN 5 1HD2 ASN 5 6.745 -1.175 5.848 22 2HD2 ASN 5 2HD2 ASN 5 8.438 -1.460 6.026 23 HA PRO 6 HA PRO 6 3.892 -3.304 -0.869 24 1HB PRO 6 2HB PRO 6 5.403 -5.865 -0.895 25 2HB PRO 6 1HB PRO 6 4.906 -4.837 -2.244 26 1HG PRO 6 2HG PRO 6 7.445 -4.894 -1.438 27 2HG PRO 6 1HG PRO 6 6.685 -3.378 -1.959 28 1HD PRO 6 2HD PRO 6 7.295 -4.344 0.802 29 2HD PRO 6 1HD PRO 6 7.395 -2.702 0.132 30 H VAL 7 H VAL 7 5.026 -5.705 1.505 31 HA VAL 7 HA VAL 7 2.694 -7.285 1.495 32 HB VAL 7 HB VAL 7 4.702 -6.933 3.730 33 1HG1 VAL 7 1HG1 VAL 7 2.568 -7.975 4.426 34 2HG1 VAL 7 2HG1 VAL 7 3.944 -9.072 4.548 35 3HG1 VAL 7 3HG1 VAL 7 2.811 -9.223 3.204 36 1HG2 VAL 7 1HG2 VAL 7 4.651 -9.129 1.680 37 2HG2 VAL 7 2HG2 VAL 7 5.939 -8.712 2.810 38 3HG2 VAL 7 3HG2 VAL 7 5.576 -7.645 1.453 39 H CYS 8 H CYS 8 3.753 -4.689 3.667 40 HA CYS 8 HA CYS 8 1.486 -4.752 5.347 41 1HB CYS 8 2HB CYS 8 3.807 -3.556 5.632 42 2HB CYS 8 1HB CYS 8 2.992 -2.218 4.840 43 H HIS 9 H HIS 9 2.251 -2.987 2.401 44 HA HIS 9 HA HIS 9 0.027 -1.259 2.367 45 1HB HIS 9 2HB HIS 9 2.131 -1.220 0.885 46 2HB HIS 9 1HB HIS 9 1.293 -2.394 -0.116 47 HD1 HIS 9 1HD HIS 9 -1.414 -1.378 -0.528 48 HD2 HIS 9 2HD HIS 9 1.812 1.226 -0.221 49 HE1 HIS 9 1HE HIS 9 -2.152 0.744 -1.654 50 HE2 HIS 9 2HE HIS 9 -0.263 2.362 -1.271 51 H LEU 10 H LEU 10 0.494 -4.531 1.151 52 HA LEU 10 HA LEU 10 -1.977 -4.731 -0.218 53 1HB LEU 10 2HB LEU 10 -0.205 -6.865 0.973 54 2HB LEU 10 1HB LEU 10 -1.612 -7.206 -0.017 55 HG LEU 10 HG LEU 10 0.842 -5.697 -0.925 56 1HD1 LEU 10 1HD1 LEU 10 1.694 -7.615 -1.705 57 2HD1 LEU 10 2HD1 LEU 10 0.118 -8.219 -2.221 58 3HD1 LEU 10 3HD1 LEU 10 0.618 -8.385 -0.538 59 1HD2 LEU 10 1HD2 LEU 10 -0.179 -5.261 -2.890 60 2HD2 LEU 10 2HD2 LEU 10 -1.639 -5.354 -1.905 61 3HD2 LEU 10 3HD2 LEU 10 -1.125 -6.749 -2.855 62 H GLU 11 H GLU 11 -0.972 -5.812 3.008 63 HA GLU 11 HA GLU 11 -3.480 -6.805 3.826 64 1HB GLU 11 2HB GLU 11 -1.358 -7.362 4.949 65 2HB GLU 11 1HB GLU 11 -1.204 -5.696 5.486 66 1HG GLU 11 2HG GLU 11 -1.985 -6.902 7.337 67 2HG GLU 11 1HG GLU 11 -3.380 -6.019 6.717 68 H HIS 12 H HIS 12 -1.876 -3.704 4.377 69 HA HIS 12 HA HIS 12 -4.334 -2.574 5.482 70 1HB HIS 12 2HB HIS 12 -1.627 -1.254 5.130 71 2HB HIS 12 1HB HIS 12 -2.991 -0.605 6.025 72 HD1 HIS 12 1HD HIS 12 -1.625 -0.470 8.201 73 HD2 HIS 12 2HD HIS 12 -1.868 -4.307 6.635 74 HE1 HIS 12 1HE HIS 12 -0.795 -1.993 10.020 75 HE2 HIS 12 2HE HIS 12 -1.048 -4.319 9.085 76 H SER 13 H SER 13 -4.702 -3.299 2.944 77 HA SER 13 HA SER 13 -4.032 -1.514 0.921 78 1HB SER 13 2HB SER 13 -6.277 -2.460 -0.074 79 2HB SER 13 1HB SER 13 -4.884 -3.519 0.154 80 HG SER 13 HG SER 13 -5.924 -4.572 1.659 81 H ASN 14 H ASN 14 -6.927 -1.551 2.989 82 HA ASN 14 HA ASN 14 -8.074 0.739 1.753 83 1HB ASN 14 2HB ASN 14 -9.689 0.721 3.584 84 2HB ASN 14 1HB ASN 14 -9.457 -0.902 2.945 85 1HD2 ASN 14 1HD2 ASN 14 -9.881 0.754 5.688 86 2HD2 ASN 14 2HD2 ASN 14 -9.076 -0.287 6.805 87 H LEU 15 H LEU 15 -5.875 0.290 4.429 88 HA LEU 15 HA LEU 15 -6.135 2.936 5.461 89 1HB LEU 15 2HB LEU 15 -3.988 0.852 5.801 90 2HB LEU 15 1HB LEU 15 -3.894 2.429 6.551 91 HG LEU 15 HG LEU 15 -4.689 1.077 8.255 92 1HD1 LEU 15 1HD1 LEU 15 -7.401 1.769 7.321 93 2HD1 LEU 15 2HD1 LEU 15 -6.238 3.088 7.446 94 3HD1 LEU 15 3HD1 LEU 15 -6.604 2.099 8.859 95 1HD2 LEU 15 1HD2 LEU 15 -5.074 -0.950 7.047 96 2HD2 LEU 15 2HD2 LEU 15 -6.473 -0.255 6.229 97 3HD2 LEU 15 3HD2 LEU 15 -6.529 -0.563 7.965 98 H CYS 16 H CYS 16 -3.750 1.345 3.402 99 HA CYS 16 HA CYS 16 -2.476 3.892 2.815 100 1HB CYS 16 2HB CYS 16 -1.835 1.090 1.905 101 2HB CYS 16 1HB CYS 16 -0.872 2.512 1.529 102 H GLY 17 H GLY 17 -5.127 3.683 1.939 103 1HA GLY 17 2HA GLY 17 -4.709 3.812 -0.976 104 2HA GLY 17 1HA GLY 17 -6.128 3.022 -0.300 105 H ALA 18 H ALA 18 -5.213 5.707 -1.785 106 HA ALA 18 HA ALA 18 -6.006 7.816 -2.037 107 1HB ALA 18 1HB ALA 18 -8.498 7.860 -0.824 108 2HB ALA 18 2HB ALA 18 -8.276 6.178 -1.303 109 3HB ALA 18 3HB ALA 18 -8.151 7.462 -2.506 110 H GLY 19 H GLY 19 -4.410 7.312 0.291 111 1HA GLY 19 2HA GLY 19 -4.585 9.740 1.605 112 2HA GLY 19 1HA GLY 19 -5.498 8.595 2.578 113 H GLY 20 H GLY 20 -4.132 6.332 2.548 114 1HA GLY 20 2HA GLY 20 -1.894 6.892 4.214 115 2HA GLY 20 1HA GLY 20 -2.392 5.304 3.648 116 H ALA 21 H ALA 21 0.155 7.182 3.731 117 HA ALA 21 HA ALA 21 1.478 5.912 1.544 118 1HB ALA 21 1HB ALA 21 1.861 7.697 0.101 119 2HB ALA 21 2HB ALA 21 1.378 8.894 1.301 120 3HB ALA 21 3HB ALA 21 0.159 7.885 0.525 121 H ALA 22 H ALA 22 3.353 8.179 1.355 122 HA ALA 22 HA ALA 22 5.292 8.920 2.264 123 1HB ALA 22 1HB ALA 22 4.235 10.205 3.852 124 2HB ALA 22 2HB ALA 22 5.251 9.169 4.854 125 3HB ALA 22 3HB ALA 22 3.534 8.810 4.672 126 H GLY 23 H GLY 23 6.499 8.210 4.740 127 1HA GLY 23 2HA GLY 23 7.485 5.571 3.981 128 2HA GLY 23 1HA GLY 23 8.268 6.697 5.080 Start of MODEL 19 1 1H GLY 1 H GLY 1 6.170 5.781 5.066 2 1HA GLY 1 2HA GLY 1 6.485 4.601 7.007 3 2HA GLY 1 1HA GLY 1 4.745 4.686 7.230 4 H CYS 2 H CYS 2 3.860 2.775 7.467 5 HA CYS 2 HA CYS 2 5.152 0.339 6.818 6 1HB CYS 2 2HB CYS 2 3.286 0.846 8.570 7 2HB CYS 2 1HB CYS 2 2.184 0.562 7.230 8 H CYS 3 H CYS 3 2.837 2.373 5.182 9 HA CYS 3 HA CYS 3 1.923 0.591 3.230 10 1HB CYS 3 2HB CYS 3 2.274 3.587 3.072 11 2HB CYS 3 1HB CYS 3 1.352 2.617 1.925 12 H SER 4 H SER 4 4.960 2.231 3.521 13 HA SER 4 HA SER 4 5.758 2.153 0.815 14 1HB SER 4 2HB SER 4 7.486 2.054 3.301 15 2HB SER 4 1HB SER 4 8.025 2.486 1.678 16 HG SER 4 HG SER 4 7.397 4.435 2.091 17 H ASN 5 H ASN 5 5.481 -0.238 3.250 18 HA ASN 5 HA ASN 5 7.196 -2.152 1.886 19 1HB ASN 5 2HB ASN 5 5.614 -2.196 4.450 20 2HB ASN 5 1HB ASN 5 6.244 -3.688 3.754 21 1HD2 ASN 5 1HD2 ASN 5 6.853 -1.327 5.923 22 2HD2 ASN 5 2HD2 ASN 5 8.573 -1.442 6.008 23 HA PRO 6 HA PRO 6 3.955 -3.445 -0.856 24 1HB PRO 6 2HB PRO 6 5.009 -6.013 -1.218 25 2HB PRO 6 1HB PRO 6 5.377 -4.587 -2.190 26 1HG PRO 6 2HG PRO 6 6.905 -5.788 0.070 27 2HG PRO 6 1HG PRO 6 7.504 -5.006 -1.404 28 1HD PRO 6 2HD PRO 6 7.556 -3.743 0.952 29 2HD PRO 6 1HD PRO 6 7.178 -2.870 -0.549 30 H VAL 7 H VAL 7 5.043 -5.743 1.645 31 HA VAL 7 HA VAL 7 2.732 -7.343 1.624 32 HB VAL 7 HB VAL 7 4.593 -6.857 3.957 33 1HG1 VAL 7 1HG1 VAL 7 3.541 -8.486 5.069 34 2HG1 VAL 7 2HG1 VAL 7 3.408 -9.503 3.635 35 3HG1 VAL 7 3HG1 VAL 7 2.219 -8.234 3.929 36 1HG2 VAL 7 1HG2 VAL 7 5.760 -7.545 1.875 37 2HG2 VAL 7 2HG2 VAL 7 4.765 -9.001 1.845 38 3HG2 VAL 7 3HG2 VAL 7 5.887 -8.727 3.178 39 H CYS 8 H CYS 8 3.670 -4.646 3.726 40 HA CYS 8 HA CYS 8 1.304 -4.637 5.275 41 1HB CYS 8 2HB CYS 8 3.544 -3.482 5.768 42 2HB CYS 8 1HB CYS 8 2.968 -2.201 4.719 43 H HIS 9 H HIS 9 2.269 -2.979 2.336 44 HA HIS 9 HA HIS 9 0.128 -1.190 2.106 45 1HB HIS 9 2HB HIS 9 2.273 -1.379 0.677 46 2HB HIS 9 1HB HIS 9 1.363 -2.535 -0.284 47 HD1 HIS 9 1HD HIS 9 -1.286 -1.307 -0.706 48 HD2 HIS 9 2HD HIS 9 2.178 0.989 -0.614 49 HE1 HIS 9 1HE HIS 9 -1.845 0.810 -1.943 50 HE2 HIS 9 2HE HIS 9 0.190 2.271 -1.660 51 H LEU 10 H LEU 10 0.450 -4.543 1.061 52 HA LEU 10 HA LEU 10 -2.067 -4.643 -0.274 53 1HB LEU 10 2HB LEU 10 -0.322 -6.859 0.803 54 2HB LEU 10 1HB LEU 10 -1.735 -7.109 -0.203 55 HG LEU 10 HG LEU 10 0.767 -5.637 -1.034 56 1HD1 LEU 10 1HD1 LEU 10 0.737 -7.669 -2.683 57 2HD1 LEU 10 2HD1 LEU 10 -0.193 -8.434 -1.393 58 3HD1 LEU 10 3HD1 LEU 10 1.433 -7.831 -1.071 59 1HD2 LEU 10 1HD2 LEU 10 -1.915 -5.857 -2.199 60 2HD2 LEU 10 2HD2 LEU 10 -0.597 -6.230 -3.309 61 3HD2 LEU 10 3HD2 LEU 10 -0.643 -4.670 -2.488 62 H GLU 11 H GLU 11 -0.945 -5.728 2.908 63 HA GLU 11 HA GLU 11 -3.403 -6.780 3.795 64 1HB GLU 11 2HB GLU 11 -1.207 -7.271 4.832 65 2HB GLU 11 1HB GLU 11 -1.136 -5.620 5.428 66 1HG GLU 11 2HG GLU 11 -3.205 -6.067 6.731 67 2HG GLU 11 1HG GLU 11 -3.105 -7.752 6.222 68 H HIS 12 H HIS 12 -1.897 -3.616 4.233 69 HA HIS 12 HA HIS 12 -4.366 -2.587 5.436 70 1HB HIS 12 2HB HIS 12 -1.719 -1.143 5.123 71 2HB HIS 12 1HB HIS 12 -3.088 -0.635 6.101 72 HD1 HIS 12 1HD HIS 12 -1.512 -0.566 8.197 73 HD2 HIS 12 2HD HIS 12 -1.902 -4.314 6.462 74 HE1 HIS 12 1HE HIS 12 -0.577 -2.194 9.876 75 HE2 HIS 12 2HE HIS 12 -0.775 -4.461 8.767 76 H SER 13 H SER 13 -4.576 -3.245 2.782 77 HA SER 13 HA SER 13 -3.986 -1.301 0.899 78 1HB SER 13 2HB SER 13 -6.225 -2.291 -0.144 79 2HB SER 13 1HB SER 13 -4.740 -3.242 -0.063 80 HG SER 13 HG SER 13 -5.687 -4.554 1.269 81 H ASN 14 H ASN 14 -6.899 -1.623 2.892 82 HA ASN 14 HA ASN 14 -8.246 0.622 1.841 83 1HB ASN 14 2HB ASN 14 -8.534 -0.771 4.509 84 2HB ASN 14 1HB ASN 14 -9.634 0.472 3.920 85 1HD2 ASN 14 1HD2 ASN 14 -9.295 -2.736 4.261 86 2HD2 ASN 14 2HD2 ASN 14 -10.288 -3.288 2.962 87 H LEU 15 H LEU 15 -5.981 0.236 4.478 88 HA LEU 15 HA LEU 15 -6.309 2.861 5.535 89 1HB LEU 15 2HB LEU 15 -4.134 0.805 5.889 90 2HB LEU 15 1HB LEU 15 -4.117 2.356 6.700 91 HG LEU 15 HG LEU 15 -4.924 0.811 8.281 92 1HD1 LEU 15 1HD1 LEU 15 -6.213 2.961 8.004 93 2HD1 LEU 15 2HD1 LEU 15 -7.037 1.660 8.865 94 3HD1 LEU 15 3HD1 LEU 15 -7.450 2.006 7.186 95 1HD2 LEU 15 1HD2 LEU 15 -6.808 -0.710 7.863 96 2HD2 LEU 15 2HD2 LEU 15 -5.430 -1.046 6.816 97 3HD2 LEU 15 3HD2 LEU 15 -6.836 -0.192 6.177 98 H CYS 16 H CYS 16 -4.032 1.347 3.334 99 HA CYS 16 HA CYS 16 -2.522 3.780 2.959 100 1HB CYS 16 2HB CYS 16 -2.382 1.134 1.521 101 2HB CYS 16 1HB CYS 16 -1.223 2.446 1.352 102 H GLY 17 H GLY 17 -5.166 4.178 2.371 103 1HA GLY 17 2HA GLY 17 -5.819 3.910 -0.373 104 2HA GLY 17 1HA GLY 17 -6.586 5.006 0.769 105 H ALA 18 H ALA 18 -5.865 5.472 -2.008 106 HA ALA 18 HA ALA 18 -5.018 7.102 -3.334 107 1HB ALA 18 1HB ALA 18 -4.125 9.053 -1.466 108 2HB ALA 18 2HB ALA 18 -5.638 8.363 -0.875 109 3HB ALA 18 3HB ALA 18 -5.564 9.076 -2.486 110 H GLY 19 H GLY 19 -3.301 5.084 -2.882 111 1HA GLY 19 2HA GLY 19 -1.073 4.805 -3.586 112 2HA GLY 19 1HA GLY 19 -0.730 6.449 -3.072 113 H GLY 20 H GLY 20 -1.433 6.537 -0.479 114 1HA GLY 20 2HA GLY 20 -0.867 4.364 1.147 115 2HA GLY 20 1HA GLY 20 0.683 5.104 0.769 116 H ALA 21 H ALA 21 -0.825 4.869 3.311 117 HA ALA 21 HA ALA 21 -1.741 7.483 4.011 118 1HB ALA 21 1HB ALA 21 -2.138 6.620 6.154 119 2HB ALA 21 2HB ALA 21 -0.919 5.360 5.968 120 3HB ALA 21 3HB ALA 21 -2.431 5.263 5.066 121 H ALA 22 H ALA 22 0.270 8.483 3.109 122 HA ALA 22 HA ALA 22 2.162 9.697 3.391 123 1HB ALA 22 1HB ALA 22 0.936 9.616 5.978 124 2HB ALA 22 2HB ALA 22 1.889 10.900 5.233 125 3HB ALA 22 3HB ALA 22 2.691 9.625 6.149 126 H GLY 23 H GLY 23 2.478 6.998 2.776 127 1HA GLY 23 2HA GLY 23 4.204 5.500 2.522 128 2HA GLY 23 1HA GLY 23 5.233 6.654 3.358 Start of MODEL 20 1 1H GLY 1 H GLY 1 7.439 4.687 5.553 2 1HA GLY 1 2HA GLY 1 7.665 2.735 6.736 3 2HA GLY 1 1HA GLY 1 6.241 3.266 7.609 4 H CYS 2 H CYS 2 4.648 1.929 7.611 5 HA CYS 2 HA CYS 2 4.485 -0.538 6.440 6 1HB CYS 2 2HB CYS 2 3.082 0.057 8.286 7 2HB CYS 2 1HB CYS 2 2.300 1.326 7.366 8 H CYS 3 H CYS 3 2.976 2.443 5.287 9 HA CYS 3 HA CYS 3 1.605 1.347 3.129 10 1HB CYS 3 2HB CYS 3 2.723 4.140 3.388 11 2HB CYS 3 1HB CYS 3 1.456 3.635 2.270 12 H SER 4 H SER 4 4.979 2.227 3.374 13 HA SER 4 HA SER 4 5.321 1.942 0.500 14 1HB SER 4 2HB SER 4 7.312 2.570 2.685 15 2HB SER 4 1HB SER 4 7.688 2.520 0.959 16 HG SER 4 HG SER 4 5.518 4.029 1.353 17 H ASN 5 H ASN 5 5.055 -0.123 3.042 18 HA ASN 5 HA ASN 5 7.062 -2.032 2.081 19 1HB ASN 5 2HB ASN 5 5.145 -2.091 4.421 20 2HB ASN 5 1HB ASN 5 6.136 -3.469 3.963 21 1HD2 ASN 5 1HD2 ASN 5 8.004 -0.941 3.191 22 2HD2 ASN 5 2HD2 ASN 5 8.864 -0.734 4.674 23 HA PRO 6 HA PRO 6 4.136 -3.653 -0.849 24 1HB PRO 6 2HB PRO 6 5.731 -6.139 -0.425 25 2HB PRO 6 1HB PRO 6 5.265 -5.344 -1.933 26 1HG PRO 6 2HG PRO 6 7.747 -5.126 -1.002 27 2HG PRO 6 1HG PRO 6 6.936 -3.743 -1.760 28 1HD PRO 6 2HD PRO 6 7.474 -4.279 1.126 29 2HD PRO 6 1HD PRO 6 7.457 -2.737 0.245 30 H VAL 7 H VAL 7 5.062 -5.924 1.764 31 HA VAL 7 HA VAL 7 2.656 -7.396 1.668 32 HB VAL 7 HB VAL 7 4.605 -7.079 3.960 33 1HG1 VAL 7 1HG1 VAL 7 3.629 -9.013 4.952 34 2HG1 VAL 7 2HG1 VAL 7 2.586 -9.279 3.556 35 3HG1 VAL 7 3HG1 VAL 7 2.316 -7.887 4.604 36 1HG2 VAL 7 1HG2 VAL 7 5.963 -8.438 2.849 37 2HG2 VAL 7 2HG2 VAL 7 4.874 -8.359 1.464 38 3HG2 VAL 7 3HG2 VAL 7 4.675 -9.630 2.671 39 H CYS 8 H CYS 8 3.737 -4.803 3.817 40 HA CYS 8 HA CYS 8 1.414 -4.695 5.398 41 1HB CYS 8 2HB CYS 8 3.826 -3.597 5.637 42 2HB CYS 8 1HB CYS 8 3.004 -2.218 4.919 43 H HIS 9 H HIS 9 2.327 -3.081 2.409 44 HA HIS 9 HA HIS 9 0.187 -1.244 2.278 45 1HB HIS 9 2HB HIS 9 2.383 -1.399 0.857 46 2HB HIS 9 1HB HIS 9 1.424 -2.444 -0.178 47 HD1 HIS 9 1HD HIS 9 2.279 -0.073 -1.611 48 HD2 HIS 9 2HD HIS 9 -1.079 0.044 0.833 49 HE1 HIS 9 1HE HIS 9 0.921 1.879 -2.426 50 HE2 HIS 9 2HE HIS 9 -1.178 1.842 -1.030 51 H LEU 10 H LEU 10 0.577 -4.545 1.109 52 HA LEU 10 HA LEU 10 -1.839 -4.664 -0.352 53 1HB LEU 10 2HB LEU 10 0.029 -6.239 -0.660 54 2HB LEU 10 1HB LEU 10 -0.270 -6.900 0.936 55 HG LEU 10 HG LEU 10 -2.509 -7.653 0.171 56 1HD1 LEU 10 1HD1 LEU 10 -1.759 -7.303 -2.662 57 2HD1 LEU 10 2HD1 LEU 10 -2.292 -5.856 -1.805 58 3HD1 LEU 10 3HD1 LEU 10 -3.345 -7.268 -1.891 59 1HD2 LEU 10 1HD2 LEU 10 -0.399 -8.711 -1.682 60 2HD2 LEU 10 2HD2 LEU 10 -1.728 -9.576 -0.911 61 3HD2 LEU 10 3HD2 LEU 10 -0.357 -9.025 0.053 62 H GLU 11 H GLU 11 -1.006 -5.739 2.926 63 HA GLU 11 HA GLU 11 -3.591 -6.686 3.583 64 1HB GLU 11 2HB GLU 11 -1.308 -7.179 4.691 65 2HB GLU 11 1HB GLU 11 -1.567 -5.685 5.576 66 1HG GLU 11 2HG GLU 11 -3.701 -7.745 5.615 67 2HG GLU 11 1HG GLU 11 -2.249 -8.022 6.567 68 H HIS 12 H HIS 12 -1.877 -3.730 4.506 69 HA HIS 12 HA HIS 12 -4.337 -2.531 5.494 70 1HB HIS 12 2HB HIS 12 -1.497 -1.478 5.423 71 2HB HIS 12 1HB HIS 12 -2.855 -0.673 6.200 72 HD1 HIS 12 1HD HIS 12 -3.852 -1.907 8.336 73 HD2 HIS 12 2HD HIS 12 -0.303 -3.480 6.892 74 HE1 HIS 12 1HE HIS 12 -2.959 -3.336 10.191 75 HE2 HIS 12 2HE HIS 12 -0.979 -4.495 9.163 76 H SER 13 H SER 13 -4.312 -3.068 2.735 77 HA SER 13 HA SER 13 -3.552 -0.884 1.142 78 1HB SER 13 2HB SER 13 -4.132 -3.184 0.319 79 2HB SER 13 1HB SER 13 -5.829 -2.798 0.597 80 HG SER 13 HG SER 13 -5.154 -2.418 -1.575 81 H ASN 14 H ASN 14 -6.623 -1.654 2.719 82 HA ASN 14 HA ASN 14 -8.100 0.504 1.688 83 1HB ASN 14 2HB ASN 14 -9.103 -1.485 2.779 84 2HB ASN 14 1HB ASN 14 -8.485 -0.921 4.329 85 1HD2 ASN 14 1HD2 ASN 14 -9.912 0.108 5.525 86 2HD2 ASN 14 2HD2 ASN 14 -11.262 1.013 4.947 87 H LEU 15 H LEU 15 -5.926 0.257 4.405 88 HA LEU 15 HA LEU 15 -6.686 2.806 5.501 89 1HB LEU 15 2HB LEU 15 -4.383 0.991 6.187 90 2HB LEU 15 1HB LEU 15 -4.849 2.417 7.095 91 HG LEU 15 HG LEU 15 -6.531 -0.068 6.740 92 1HD1 LEU 15 1HD1 LEU 15 -5.716 0.740 9.423 93 2HD1 LEU 15 2HD1 LEU 15 -4.370 0.273 8.384 94 3HD1 LEU 15 3HD1 LEU 15 -5.702 -0.850 8.661 95 1HD2 LEU 15 1HD2 LEU 15 -7.392 1.626 8.859 96 2HD2 LEU 15 2HD2 LEU 15 -8.275 1.122 7.417 97 3HD2 LEU 15 3HD2 LEU 15 -7.287 2.583 7.381 98 H CYS 16 H CYS 16 -3.806 1.528 3.882 99 HA CYS 16 HA CYS 16 -2.516 4.081 3.859 100 1HB CYS 16 2HB CYS 16 -1.870 1.418 2.645 101 2HB CYS 16 1HB CYS 16 -0.932 2.849 2.235 102 H GLY 17 H GLY 17 -4.329 2.215 1.452 103 1HA GLY 17 2HA GLY 17 -5.184 2.853 -0.584 104 2HA GLY 17 1HA GLY 17 -5.025 4.516 -0.027 105 H ALA 18 H ALA 18 -3.909 5.667 -1.458 106 HA ALA 18 HA ALA 18 -1.811 4.393 -3.038 107 1HB ALA 18 1HB ALA 18 -3.413 5.774 -4.233 108 2HB ALA 18 2HB ALA 18 -1.805 6.492 -4.322 109 3HB ALA 18 3HB ALA 18 -3.008 7.158 -3.218 110 H GLY 19 H GLY 19 -1.629 5.090 -0.108 111 1HA GLY 19 2HA GLY 19 0.183 7.257 0.185 112 2HA GLY 19 1HA GLY 19 -0.139 6.007 1.374 113 H GLY 20 H GLY 20 2.357 7.340 0.333 114 1HA GLY 20 2HA GLY 20 4.004 4.988 0.377 115 2HA GLY 20 1HA GLY 20 3.996 5.787 -1.191 116 H ALA 21 H ALA 21 5.933 6.751 -1.322 117 HA ALA 21 HA ALA 21 7.702 8.108 -0.897 118 1HB ALA 21 1HB ALA 21 5.333 9.540 -0.121 119 2HB ALA 21 2HB ALA 21 6.798 10.132 -0.906 120 3HB ALA 21 3HB ALA 21 6.712 10.046 0.854 121 H ALA 22 H ALA 22 7.848 5.902 0.615 122 HA ALA 22 HA ALA 22 8.879 4.964 2.394 123 1HB ALA 22 1HB ALA 22 10.228 6.794 3.824 124 2HB ALA 22 2HB ALA 22 10.008 7.689 2.321 125 3HB ALA 22 3HB ALA 22 10.815 6.122 2.302 126 H GLY 23 H GLY 23 6.195 5.787 2.668 127 1HA GLY 23 2HA GLY 23 5.833 6.905 5.305 128 2HA GLY 23 1HA GLY 23 4.570 6.310 4.239
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