NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637027 | 6d2h | 30451 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 1.544 2.332 4.546 2 H2 SER 1 HT2 SER 1 0.315 2.448 3.380 3 H3 SER 1 HT3 SER 1 1.952 2.521 2.914 4 HA SER 1 HA SER 1 1.716 0.159 4.282 5 HB2 SER 1 HB2 SER 1 -0.139 -0.828 2.706 6 HB3 SER 1 HB1 SER 1 -0.629 0.019 4.174 7 HG SER 1 HG SER 1 -1.709 0.704 2.189 8 H ARG 2 HN ARG 2 0.690 0.969 0.981 9 HA ARG 2 HA ARG 2 2.407 -0.808 -0.316 10 HB2 ARG 2 HB2 ARG 2 0.395 0.366 -1.298 11 HB3 ARG 2 HB1 ARG 2 1.405 1.796 -1.475 12 HG2 ARG 2 HG2 ARG 2 3.054 0.172 -2.703 13 HG3 ARG 2 HG1 ARG 2 1.643 -0.843 -2.865 14 HD2 ARG 2 HD2 ARG 2 1.901 0.605 -4.832 15 HD3 ARG 2 HD1 ARG 2 0.411 0.968 -3.958 16 HE ARG 2 HE ARG 2 1.308 3.009 -3.332 17 HH11 ARG 2 HH11 ARG 2 2.961 4.409 -2.967 18 HH12 ARG 2 HH12 ARG 2 4.553 4.121 -3.584 19 HH21 ARG 2 HH21 ARG 2 3.694 1.002 -4.852 20 HH22 ARG 2 HH22 ARG 2 4.982 2.143 -4.651 21 H PHE 3 HN PHE 3 2.806 2.662 0.306 22 HA PHE 3 HA PHE 3 5.157 3.080 -1.109 23 HB2 PHE 3 HB2 PHE 3 3.774 4.402 1.146 24 HB3 PHE 3 HB1 PHE 3 5.464 4.831 0.896 25 HD1 PHE 3 HD1 PHE 3 6.211 5.368 -1.507 26 HD2 PHE 3 HD2 PHE 3 2.113 5.302 -0.245 27 HE1 PHE 3 HE1 PHE 3 5.579 6.654 -3.521 28 HE2 PHE 3 HE2 PHE 3 1.475 6.595 -2.265 29 HZ PHE 3 HZ PHE 3 3.222 7.239 -3.893 30 H GLU 4 HN GLU 4 4.787 2.154 2.330 31 HA GLU 4 HA GLU 4 7.519 2.200 2.944 32 HB2 GLU 4 HB2 GLU 4 5.418 0.454 4.226 33 HB3 GLU 4 HB1 GLU 4 6.904 1.048 4.951 34 HG2 GLU 4 HG2 GLU 4 5.505 2.667 5.773 35 HG3 GLU 4 HG1 GLU 4 5.841 3.409 4.207 36 H LEU 5 HN LEU 5 5.477 -0.439 1.721 37 HA LEU 5 HA LEU 5 7.299 -2.529 2.068 38 HB2 LEU 5 HB2 LEU 5 4.961 -1.977 0.323 39 HB3 LEU 5 HB1 LEU 5 6.040 -3.257 -0.200 40 HG LEU 5 HG LEU 5 5.660 -3.581 2.600 41 HD11 LEU 5 HD11 LEU 5 3.054 -4.093 2.135 42 HD12 LEU 5 HD12 LEU 5 3.262 -2.682 1.096 43 HD13 LEU 5 HD13 LEU 5 3.625 -2.575 2.819 44 HD21 LEU 5 HD21 LEU 5 6.124 -5.331 0.860 45 HD22 LEU 5 HD22 LEU 5 4.464 -5.155 0.296 46 HD23 LEU 5 HD23 LEU 5 4.785 -5.745 1.927 47 H ILE 6 HN ILE 6 7.106 0.037 -0.261 48 HA ILE 6 HA ILE 6 9.144 -1.079 -1.965 49 HB ILE 6 HB ILE 6 7.973 1.705 -2.044 50 HG12 ILE 6 HG12 ILE 6 6.064 0.352 -2.242 51 HG13 ILE 6 HG11 ILE 6 6.555 0.578 -3.916 52 HG21 ILE 6 HG21 ILE 6 9.926 1.510 -3.439 53 HG22 ILE 6 HG22 ILE 6 8.536 1.383 -4.515 54 HG23 ILE 6 HG23 ILE 6 9.418 -0.068 -4.039 55 HD11 ILE 6 HD11 ILE 6 7.924 -1.597 -3.580 56 HD12 ILE 6 HD12 ILE 6 6.179 -1.739 -3.770 57 HD13 ILE 6 HD13 ILE 6 6.902 -1.851 -2.166 58 H VAL 7 HN VAL 7 8.744 1.779 0.090 59 HA VAL 7 HA VAL 7 11.348 2.795 -0.145 60 HB VAL 7 HB VAL 7 9.583 2.977 2.317 61 HG11 VAL 7 HG11 VAL 7 11.604 4.941 1.184 62 HG12 VAL 7 HG12 VAL 7 11.971 3.803 2.481 63 HG13 VAL 7 HG13 VAL 7 10.757 5.058 2.725 64 HG21 VAL 7 HG21 VAL 7 8.134 4.197 1.095 65 HG22 VAL 7 HG22 VAL 7 9.057 3.821 -0.359 66 HG23 VAL 7 HG23 VAL 7 9.437 5.263 0.581 67 H HIS 8 HN HIS 8 10.154 0.067 1.606 68 HA HIS 8 HA HIS 8 11.957 -0.229 3.677 69 HB2 HIS 8 HB2 HIS 8 10.563 -1.999 3.797 70 HB3 HIS 8 HB1 HIS 8 10.284 -2.012 2.059 71 HD2 HIS 8 HD2 HIS 8 11.987 -4.204 4.609 72 HE1 HIS 8 HE1 HIS 8 13.924 -5.060 0.956 73 HE2 HIS 8 HE2 HIS 8 13.589 -5.842 3.351 74 H GLN 9 HN GLN 9 12.559 -0.489 0.247 75 HA GLN 9 HA GLN 9 15.017 -1.916 0.438 76 HB2 GLN 9 HB2 GLN 9 15.348 -1.279 -1.901 77 HB3 GLN 9 HB1 GLN 9 13.691 -1.816 -1.653 78 HG2 GLN 9 HG2 GLN 9 13.012 0.129 -2.556 79 HG3 GLN 9 HG1 GLN 9 13.611 0.927 -1.104 80 HE21 GLN 9 HE21 GLN 9 16.468 0.026 -1.943 81 HE22 GLN 9 HE22 GLN 9 16.895 1.152 -3.138 82 H ARG 10 HN ARG 10 14.106 1.321 1.096 83 HA ARG 10 HA ARG 10 15.293 3.272 1.430 84 HB2 ARG 10 HB2 ARG 10 16.778 1.090 2.827 85 HB3 ARG 10 HB1 ARG 10 17.519 2.684 2.754 86 HG2 ARG 10 HG2 ARG 10 16.272 2.995 4.667 87 HG3 ARG 10 HG1 ARG 10 15.055 3.459 3.482 88 HD2 ARG 10 HD2 ARG 10 14.478 1.689 5.368 89 HD3 ARG 10 HD1 ARG 10 13.851 1.497 3.735 90 HE ARG 10 HE ARG 10 15.109 -0.431 3.560 91 HH11 ARG 10 HH11 ARG 10 16.770 -1.876 4.149 92 HH12 ARG 10 HH12 ARG 10 17.867 -1.461 5.425 93 HH21 ARG 10 HH21 ARG 10 16.404 1.629 6.032 94 HH22 ARG 10 HH22 ARG 10 17.654 0.528 6.499 95 HN1 NH2 11 H1 ARG 10 15.696 2.745 -1.207 96 HN2 NH2 11 H2 ARG 10 17.321 2.977 -1.640 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 1.283 2.244 4.050 2 H2 SER 1 HT2 SER 1 -0.047 1.189 3.923 3 H3 SER 1 HT3 SER 1 0.776 1.697 2.529 4 HA SER 1 HA SER 1 2.585 0.514 4.334 5 HB2 SER 1 HB2 SER 1 0.865 -1.661 3.455 6 HB3 SER 1 HB1 SER 1 1.513 -1.321 5.053 7 HG SER 1 HG SER 1 -0.688 -1.104 5.194 8 H ARG 2 HN ARG 2 0.691 0.449 1.350 9 HA ARG 2 HA ARG 2 2.256 -1.268 -0.180 10 HB2 ARG 2 HB2 ARG 2 0.013 0.093 -0.661 11 HB3 ARG 2 HB1 ARG 2 1.144 1.174 -1.470 12 HG2 ARG 2 HG2 ARG 2 2.078 -0.983 -2.575 13 HG3 ARG 2 HG1 ARG 2 0.571 -1.707 -2.063 14 HD2 ARG 2 HD2 ARG 2 0.347 -0.835 -4.347 15 HD3 ARG 2 HD1 ARG 2 -0.704 0.040 -3.232 16 HE ARG 2 HE ARG 2 0.663 1.911 -3.443 17 HH11 ARG 2 HH11 ARG 2 2.541 2.913 -3.999 18 HH12 ARG 2 HH12 ARG 2 3.690 2.160 -5.054 19 HH21 ARG 2 HH21 ARG 2 1.888 -0.817 -5.190 20 HH22 ARG 2 HH22 ARG 2 3.331 -0.013 -5.710 21 H PHE 3 HN PHE 3 2.519 2.293 0.076 22 HA PHE 3 HA PHE 3 4.852 2.415 -1.562 23 HB2 PHE 3 HB2 PHE 3 3.231 4.301 0.012 24 HB3 PHE 3 HB1 PHE 3 4.940 4.729 -0.138 25 HD1 PHE 3 HD1 PHE 3 6.008 4.402 -2.479 26 HD2 PHE 3 HD2 PHE 3 1.782 4.752 -1.793 27 HE1 PHE 3 HE1 PHE 3 5.676 4.944 -4.862 28 HE2 PHE 3 HE2 PHE 3 1.448 5.313 -4.192 29 HZ PHE 3 HZ PHE 3 3.407 5.380 -5.709 30 H GLU 4 HN GLU 4 4.268 2.119 1.886 31 HA GLU 4 HA GLU 4 6.805 2.711 2.871 32 HB2 GLU 4 HB2 GLU 4 4.670 0.814 3.874 33 HB3 GLU 4 HB1 GLU 4 6.098 1.265 4.794 34 HG2 GLU 4 HG2 GLU 4 4.682 2.898 5.581 35 HG3 GLU 4 HG1 GLU 4 5.271 3.728 4.144 36 H LEU 5 HN LEU 5 5.496 -0.286 1.502 37 HA LEU 5 HA LEU 5 7.674 -1.941 2.195 38 HB2 LEU 5 HB2 LEU 5 5.607 -2.057 0.001 39 HB3 LEU 5 HB1 LEU 5 6.789 -3.321 0.286 40 HG LEU 5 HG LEU 5 5.401 -2.446 2.727 41 HD11 LEU 5 HD11 LEU 5 3.768 -4.126 0.849 42 HD12 LEU 5 HD12 LEU 5 3.698 -2.369 0.725 43 HD13 LEU 5 HD13 LEU 5 3.247 -3.160 2.231 44 HD21 LEU 5 HD21 LEU 5 6.950 -4.499 2.230 45 HD22 LEU 5 HD22 LEU 5 5.490 -5.222 1.555 46 HD23 LEU 5 HD23 LEU 5 5.532 -4.737 3.249 47 H ILE 6 HN ILE 6 7.094 0.348 -0.365 48 HA ILE 6 HA ILE 6 9.214 -0.491 -2.082 49 HB ILE 6 HB ILE 6 8.103 2.304 -1.958 50 HG12 ILE 6 HG12 ILE 6 6.138 0.926 -1.827 51 HG13 ILE 6 HG11 ILE 6 6.287 1.436 -3.505 52 HG21 ILE 6 HG21 ILE 6 8.559 2.306 -4.311 53 HG22 ILE 6 HG22 ILE 6 8.763 0.556 -4.345 54 HG23 ILE 6 HG23 ILE 6 9.975 1.570 -3.560 55 HD11 ILE 6 HD11 ILE 6 7.512 -0.734 -3.946 56 HD12 ILE 6 HD12 ILE 6 5.807 -0.915 -3.528 57 HD13 ILE 6 HD13 ILE 6 7.047 -1.246 -2.323 58 H VAL 7 HN VAL 7 8.818 2.284 0.113 59 HA VAL 7 HA VAL 7 11.476 3.208 -0.090 60 HB VAL 7 HB VAL 7 11.027 4.381 2.048 61 HG11 VAL 7 HG11 VAL 7 10.191 5.287 -0.120 62 HG12 VAL 7 HG12 VAL 7 9.152 5.726 1.234 63 HG13 VAL 7 HG13 VAL 7 8.668 4.433 0.136 64 HG21 VAL 7 HG21 VAL 7 8.493 2.724 1.973 65 HG22 VAL 7 HG22 VAL 7 8.741 4.103 3.041 66 HG23 VAL 7 HG23 VAL 7 9.746 2.663 3.210 67 H HIS 8 HN HIS 8 10.057 0.573 1.627 68 HA HIS 8 HA HIS 8 11.914 0.101 3.659 69 HB2 HIS 8 HB2 HIS 8 9.696 -1.139 3.070 70 HB3 HIS 8 HB1 HIS 8 10.720 -2.140 2.043 71 HD2 HIS 8 HD2 HIS 8 12.177 -4.078 3.420 72 HE1 HIS 8 HE1 HIS 8 11.405 -2.679 7.332 73 HE2 HIS 8 HE2 HIS 8 12.461 -4.559 5.974 74 H GLN 9 HN GLN 9 12.301 0.042 0.276 75 HA GLN 9 HA GLN 9 14.180 -1.957 -0.155 76 HB2 GLN 9 HB2 GLN 9 14.950 -0.561 -2.061 77 HB3 GLN 9 HB1 GLN 9 13.192 -0.677 -1.982 78 HG2 GLN 9 HG2 GLN 9 13.483 1.521 -0.487 79 HG3 GLN 9 HG1 GLN 9 14.960 1.670 -1.433 80 HE21 GLN 9 HE21 GLN 9 13.758 0.376 -3.845 81 HE22 GLN 9 HE22 GLN 9 12.686 1.523 -4.492 82 H ARG 10 HN ARG 10 14.690 1.366 1.009 83 HA ARG 10 HA ARG 10 16.584 2.417 1.809 84 HB2 ARG 10 HB2 ARG 10 16.470 -0.264 3.133 85 HB3 ARG 10 HB1 ARG 10 17.895 0.738 3.395 86 HG2 ARG 10 HG2 ARG 10 16.523 1.494 5.114 87 HG3 ARG 10 HG1 ARG 10 16.125 2.641 3.833 88 HD2 ARG 10 HD2 ARG 10 14.080 1.745 4.912 89 HD3 ARG 10 HD1 ARG 10 14.166 1.310 3.213 90 HE ARG 10 HE ARG 10 14.344 -0.924 3.820 91 HH11 ARG 10 HH11 ARG 10 14.376 -2.604 5.357 92 HH12 ARG 10 HH12 ARG 10 14.647 -2.246 7.032 93 HH21 ARG 10 HH21 ARG 10 14.958 1.178 6.507 94 HH22 ARG 10 HH22 ARG 10 14.980 -0.089 7.683 95 HN1 NH2 11 H1 ARG 10 17.223 1.942 -0.748 96 HN2 NH2 11 H2 ARG 10 18.760 1.239 -0.915 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 2.471 0.156 5.407 2 H2 SER 1 HT2 SER 1 3.692 0.313 4.239 3 H3 SER 1 HT3 SER 1 3.472 -1.163 5.048 4 HA SER 1 HA SER 1 1.679 -1.749 3.833 5 HB2 SER 1 HB2 SER 1 0.966 0.909 2.786 6 HB3 SER 1 HB1 SER 1 -0.054 -0.356 3.446 7 HG SER 1 HG SER 1 1.407 1.665 4.781 8 H ARG 2 HN ARG 2 0.976 -0.605 1.307 9 HA ARG 2 HA ARG 2 2.920 -1.708 -0.339 10 HB2 ARG 2 HB2 ARG 2 0.449 -1.099 -0.823 11 HB3 ARG 2 HB1 ARG 2 1.093 0.466 -1.303 12 HG2 ARG 2 HG2 ARG 2 2.720 -0.829 -2.812 13 HG3 ARG 2 HG1 ARG 2 1.694 -2.216 -2.516 14 HD2 ARG 2 HD2 ARG 2 0.981 -1.081 -4.569 15 HD3 ARG 2 HD1 ARG 2 -0.270 -0.970 -3.327 16 HE ARG 2 HE ARG 2 0.164 1.300 -3.109 17 HH11 ARG 2 HH11 ARG 2 1.342 3.109 -3.425 18 HH12 ARG 2 HH12 ARG 2 2.636 3.169 -4.579 19 HH21 ARG 2 HH21 ARG 2 2.388 -0.228 -5.298 20 HH22 ARG 2 HH22 ARG 2 3.254 1.230 -5.642 21 H PHE 3 HN PHE 3 2.329 1.772 0.258 22 HA PHE 3 HA PHE 3 4.440 2.620 -1.457 23 HB2 PHE 3 HB2 PHE 3 2.397 3.873 -0.024 24 HB3 PHE 3 HB1 PHE 3 3.900 4.550 0.615 25 HD1 PHE 3 HD1 PHE 3 5.765 5.023 -1.213 26 HD2 PHE 3 HD2 PHE 3 1.554 4.752 -2.014 27 HE1 PHE 3 HE1 PHE 3 6.099 6.214 -3.365 28 HE2 PHE 3 HE2 PHE 3 1.885 5.948 -4.150 29 HZ PHE 3 HZ PHE 3 4.154 6.659 -4.819 30 H GLU 4 HN GLU 4 4.317 2.112 2.071 31 HA GLU 4 HA GLU 4 6.815 3.180 2.682 32 HB2 GLU 4 HB2 GLU 4 5.389 0.862 3.991 33 HB3 GLU 4 HB1 GLU 4 6.702 1.793 4.695 34 HG2 GLU 4 HG2 GLU 4 5.011 3.037 5.588 35 HG3 GLU 4 HG1 GLU 4 5.014 3.812 4.004 36 H LEU 5 HN LEU 5 5.986 0.012 1.316 37 HA LEU 5 HA LEU 5 8.370 -1.343 1.836 38 HB2 LEU 5 HB2 LEU 5 6.315 -1.483 -0.352 39 HB3 LEU 5 HB1 LEU 5 7.742 -2.503 -0.381 40 HG LEU 5 HG LEU 5 6.449 -2.470 2.237 41 HD11 LEU 5 HD11 LEU 5 4.362 -3.248 1.735 42 HD12 LEU 5 HD12 LEU 5 4.899 -4.050 0.261 43 HD13 LEU 5 HD13 LEU 5 4.613 -2.311 0.266 44 HD21 LEU 5 HD21 LEU 5 7.676 -4.383 0.313 45 HD22 LEU 5 HD22 LEU 5 6.458 -5.053 1.397 46 HD23 LEU 5 HD23 LEU 5 7.884 -4.257 2.059 47 H ILE 6 HN ILE 6 7.456 0.825 -0.793 48 HA ILE 6 HA ILE 6 9.646 0.502 -2.464 49 HB ILE 6 HB ILE 6 8.349 3.174 -1.937 50 HG12 ILE 6 HG12 ILE 6 6.475 1.680 -2.020 51 HG13 ILE 6 HG11 ILE 6 6.613 2.390 -3.625 52 HG21 ILE 6 HG21 ILE 6 8.569 3.307 -4.443 53 HG22 ILE 6 HG22 ILE 6 9.450 1.781 -4.393 54 HG23 ILE 6 HG23 ILE 6 10.109 3.206 -3.592 55 HD11 ILE 6 HD11 ILE 6 7.908 0.398 -4.354 56 HD12 ILE 6 HD12 ILE 6 6.262 0.007 -3.854 57 HD13 ILE 6 HD13 ILE 6 7.613 -0.329 -2.775 58 H VAL 7 HN VAL 7 9.214 2.885 0.129 59 HA VAL 7 HA VAL 7 11.955 3.777 -0.042 60 HB VAL 7 HB VAL 7 11.357 5.084 2.027 61 HG11 VAL 7 HG11 VAL 7 9.330 5.338 -0.211 62 HG12 VAL 7 HG12 VAL 7 10.995 5.909 -0.326 63 HG13 VAL 7 HG13 VAL 7 9.898 6.617 0.861 64 HG21 VAL 7 HG21 VAL 7 9.688 3.527 2.952 65 HG22 VAL 7 HG22 VAL 7 8.647 3.797 1.556 66 HG23 VAL 7 HG23 VAL 7 8.967 5.113 2.682 67 H HIS 8 HN HIS 8 10.066 1.672 2.068 68 HA HIS 8 HA HIS 8 12.019 1.263 4.062 69 HB2 HIS 8 HB2 HIS 8 9.672 0.747 4.412 70 HB3 HIS 8 HB1 HIS 8 9.735 -0.502 3.169 71 HD2 HIS 8 HD2 HIS 8 11.728 0.103 6.581 72 HE1 HIS 8 HE1 HIS 8 10.978 -4.029 6.080 73 HE2 HIS 8 HE2 HIS 8 11.955 -2.276 7.647 74 H GLN 9 HN GLN 9 11.363 -0.524 1.046 75 HA GLN 9 HA GLN 9 12.907 -2.780 1.508 76 HB2 GLN 9 HB2 GLN 9 13.134 -2.970 -0.926 77 HB3 GLN 9 HB1 GLN 9 11.494 -2.512 -0.472 78 HG2 GLN 9 HG2 GLN 9 11.635 -0.664 -1.732 79 HG3 GLN 9 HG1 GLN 9 13.033 -0.120 -0.807 80 HE21 GLN 9 HE21 GLN 9 12.024 -1.334 -3.871 81 HE22 GLN 9 HE22 GLN 9 13.572 -1.558 -4.527 82 H ARG 10 HN ARG 10 13.976 0.464 0.749 83 HA ARG 10 HA ARG 10 16.654 -0.257 0.098 84 HB2 ARG 10 HB2 ARG 10 15.231 2.295 0.714 85 HB3 ARG 10 HB1 ARG 10 16.994 2.257 0.667 86 HG2 ARG 10 HG2 ARG 10 15.687 0.836 -1.569 87 HG3 ARG 10 HG1 ARG 10 15.400 2.564 -1.536 88 HD2 ARG 10 HD2 ARG 10 18.195 1.868 -0.982 89 HD3 ARG 10 HD1 ARG 10 17.655 1.334 -2.562 90 HE ARG 10 HE ARG 10 17.359 3.570 -3.215 91 HH11 ARG 10 HH11 ARG 10 17.805 5.786 -2.930 92 HH12 ARG 10 HH12 ARG 10 18.322 6.374 -1.386 93 HH21 ARG 10 HH21 ARG 10 18.342 3.252 0.108 94 HH22 ARG 10 HH22 ARG 10 18.631 4.946 0.323 95 HN1 NH2 11 H1 ARG 10 15.134 -0.674 2.991 96 HN2 NH2 11 H2 ARG 10 16.444 -0.410 4.039 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 2.039 2.381 2.910 2 H2 SER 1 HT2 SER 1 1.373 2.321 4.467 3 H3 SER 1 HT3 SER 1 0.355 2.376 3.099 4 HA SER 1 HA SER 1 1.605 0.131 4.355 5 HB2 SER 1 HB2 SER 1 -0.176 -0.868 2.613 6 HB3 SER 1 HB1 SER 1 -0.693 -0.089 4.106 7 HG SER 1 HG SER 1 -1.814 0.971 2.567 8 H ARG 2 HN ARG 2 0.693 0.367 0.970 9 HA ARG 2 HA ARG 2 2.639 -1.399 0.021 10 HB2 ARG 2 HB2 ARG 2 0.514 -0.634 -1.144 11 HB3 ARG 2 HB1 ARG 2 1.396 0.818 -1.616 12 HG2 ARG 2 HG2 ARG 2 3.196 -0.897 -2.479 13 HG3 ARG 2 HG1 ARG 2 1.851 -2.015 -2.453 14 HD2 ARG 2 HD2 ARG 2 2.081 -0.913 -4.662 15 HD3 ARG 2 HD1 ARG 2 0.535 -0.570 -3.894 16 HE ARG 2 HE ARG 2 1.229 1.619 -3.505 17 HH11 ARG 2 HH11 ARG 2 2.741 3.220 -3.493 18 HH12 ARG 2 HH12 ARG 2 4.285 3.015 -4.247 19 HH21 ARG 2 HH21 ARG 2 3.660 -0.310 -5.049 20 HH22 ARG 2 HH22 ARG 2 4.825 0.970 -5.120 21 H PHE 3 HN PHE 3 2.648 2.146 0.067 22 HA PHE 3 HA PHE 3 5.013 2.545 -1.355 23 HB2 PHE 3 HB2 PHE 3 3.269 4.144 0.322 24 HB3 PHE 3 HB1 PHE 3 4.969 4.606 0.498 25 HD1 PHE 3 HD1 PHE 3 2.079 4.820 -1.608 26 HD2 PHE 3 HD2 PHE 3 6.380 4.752 -1.661 27 HE1 PHE 3 HE1 PHE 3 2.081 5.755 -3.902 28 HE2 PHE 3 HE2 PHE 3 6.370 5.694 -3.945 29 HZ PHE 3 HZ PHE 3 4.223 6.177 -5.057 30 H GLU 4 HN GLU 4 4.541 1.956 2.124 31 HA GLU 4 HA GLU 4 7.137 2.485 2.980 32 HB2 GLU 4 HB2 GLU 4 5.043 0.543 3.962 33 HB3 GLU 4 HB1 GLU 4 6.561 0.830 4.805 34 HG2 GLU 4 HG2 GLU 4 5.320 2.446 5.858 35 HG3 GLU 4 HG1 GLU 4 5.789 3.390 4.445 36 H LEU 5 HN LEU 5 5.738 -0.465 1.557 37 HA LEU 5 HA LEU 5 7.939 -2.154 1.960 38 HB2 LEU 5 HB2 LEU 5 5.732 -2.047 -0.088 39 HB3 LEU 5 HB1 LEU 5 6.991 -3.264 -0.157 40 HG LEU 5 HG LEU 5 5.970 -3.039 2.540 41 HD11 LEU 5 HD11 LEU 5 3.732 -4.114 1.947 42 HD12 LEU 5 HD12 LEU 5 4.002 -3.545 0.300 43 HD13 LEU 5 HD13 LEU 5 3.863 -2.385 1.622 44 HD21 LEU 5 HD21 LEU 5 5.958 -5.283 0.500 45 HD22 LEU 5 HD22 LEU 5 5.677 -5.471 2.232 46 HD23 LEU 5 HD23 LEU 5 7.255 -4.945 1.646 47 H ILE 6 HN ILE 6 7.221 0.314 -0.394 48 HA ILE 6 HA ILE 6 9.373 -0.269 -2.166 49 HB ILE 6 HB ILE 6 8.085 2.434 -1.874 50 HG12 ILE 6 HG12 ILE 6 6.206 0.919 -1.807 51 HG13 ILE 6 HG11 ILE 6 6.299 1.568 -3.444 52 HG21 ILE 6 HG21 ILE 6 9.982 1.831 -3.542 53 HG22 ILE 6 HG22 ILE 6 8.563 2.663 -4.174 54 HG23 ILE 6 HG23 ILE 6 8.738 0.926 -4.404 55 HD11 ILE 6 HD11 ILE 6 7.507 -0.460 -4.171 56 HD12 ILE 6 HD12 ILE 6 5.931 -0.863 -3.497 57 HD13 ILE 6 HD13 ILE 6 7.391 -1.113 -2.539 58 H VAL 7 HN VAL 7 8.781 2.236 0.271 59 HA VAL 7 HA VAL 7 11.337 3.418 0.148 60 HB VAL 7 HB VAL 7 9.708 3.274 2.684 61 HG11 VAL 7 HG11 VAL 7 10.510 5.674 2.779 62 HG12 VAL 7 HG12 VAL 7 11.506 5.326 1.366 63 HG13 VAL 7 HG13 VAL 7 11.789 4.465 2.880 64 HG21 VAL 7 HG21 VAL 7 8.984 4.477 0.058 65 HG22 VAL 7 HG22 VAL 7 8.761 5.511 1.468 66 HG23 VAL 7 HG23 VAL 7 7.944 3.952 1.382 67 H HIS 8 HN HIS 8 10.045 0.797 2.154 68 HA HIS 8 HA HIS 8 12.216 0.407 3.843 69 HB2 HIS 8 HB2 HIS 8 9.974 -0.751 3.953 70 HB3 HIS 8 HB1 HIS 8 10.545 -1.824 2.674 71 HD2 HIS 8 HD2 HIS 8 13.390 -0.990 5.135 72 HE1 HIS 8 HE1 HIS 8 11.800 -4.702 6.378 73 HE2 HIS 8 HE2 HIS 8 13.726 -3.071 6.680 74 H GLN 9 HN GLN 9 12.061 -0.107 0.427 75 HA GLN 9 HA GLN 9 13.946 -2.194 0.191 76 HB2 GLN 9 HB2 GLN 9 14.037 -1.695 -2.093 77 HB3 GLN 9 HB1 GLN 9 12.433 -1.136 -1.632 78 HG2 GLN 9 HG2 GLN 9 12.999 0.853 -2.537 79 HG3 GLN 9 HG1 GLN 9 14.068 1.081 -1.155 80 HE21 GLN 9 HE21 GLN 9 14.272 1.646 -4.251 81 HE22 GLN 9 HE22 GLN 9 15.825 1.069 -4.624 82 H ARG 10 HN ARG 10 14.283 1.043 1.215 83 HA ARG 10 HA ARG 10 16.069 2.356 1.726 84 HB2 ARG 10 HB2 ARG 10 16.846 -0.391 2.350 85 HB3 ARG 10 HB1 ARG 10 18.226 0.647 2.025 86 HG2 ARG 10 HG2 ARG 10 18.010 1.410 4.138 87 HG3 ARG 10 HG1 ARG 10 16.587 2.272 3.543 88 HD2 ARG 10 HD2 ARG 10 16.647 0.274 5.535 89 HD3 ARG 10 HD1 ARG 10 15.243 1.051 4.825 90 HE ARG 10 HE ARG 10 14.981 -0.807 3.357 91 HH11 ARG 10 HH11 ARG 10 15.137 -3.048 3.113 92 HH12 ARG 10 HH12 ARG 10 16.360 -3.933 3.967 93 HH21 ARG 10 HH21 ARG 10 17.653 -1.147 5.561 94 HH22 ARG 10 HH22 ARG 10 17.781 -2.859 5.341 95 HN1 NH2 11 H1 ARG 10 18.091 -0.077 0.084 96 HN2 NH2 11 H2 ARG 10 18.563 0.949 -1.182 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 0.751 2.689 4.065 2 H2 SER 1 HT2 SER 1 -0.161 2.344 2.674 3 H3 SER 1 HT3 SER 1 1.509 2.614 2.545 4 HA SER 1 HA SER 1 1.512 0.618 4.277 5 HB2 SER 1 HB2 SER 1 -0.239 -0.885 2.767 6 HB3 SER 1 HB1 SER 1 -0.573 -0.238 4.370 7 HG SER 1 HG SER 1 -1.875 1.199 3.517 8 H ARG 2 HN ARG 2 0.426 0.595 0.888 9 HA ARG 2 HA ARG 2 2.291 -1.262 -0.031 10 HB2 ARG 2 HB2 ARG 2 0.156 -0.261 -1.149 11 HB3 ARG 2 HB1 ARG 2 1.267 0.943 -1.790 12 HG2 ARG 2 HG2 ARG 2 2.708 -1.129 -2.492 13 HG3 ARG 2 HG1 ARG 2 1.198 -1.994 -2.314 14 HD2 ARG 2 HD2 ARG 2 1.538 -1.163 -4.636 15 HD3 ARG 2 HD1 ARG 2 0.076 -0.531 -3.881 16 HE ARG 2 HE ARG 2 1.022 1.573 -3.881 17 HH11 ARG 2 HH11 ARG 2 2.690 2.979 -3.905 18 HH12 ARG 2 HH12 ARG 2 4.299 2.488 -4.318 19 HH21 ARG 2 HH21 ARG 2 3.396 -0.858 -4.569 20 HH22 ARG 2 HH22 ARG 2 4.706 0.271 -4.680 21 H PHE 3 HN PHE 3 2.455 2.311 -0.181 22 HA PHE 3 HA PHE 3 4.899 2.457 -1.558 23 HB2 PHE 3 HB2 PHE 3 3.109 4.317 -0.473 24 HB3 PHE 3 HB1 PHE 3 4.664 4.649 0.303 25 HD1 PHE 3 HD1 PHE 3 2.759 5.087 -2.665 26 HD2 PHE 3 HD2 PHE 3 6.758 4.532 -1.228 27 HE1 PHE 3 HE1 PHE 3 3.639 5.970 -4.797 28 HE2 PHE 3 HE2 PHE 3 7.648 5.427 -3.366 29 HZ PHE 3 HZ PHE 3 6.082 6.126 -5.140 30 H GLU 4 HN GLU 4 4.252 2.158 1.920 31 HA GLU 4 HA GLU 4 6.807 2.719 2.880 32 HB2 GLU 4 HB2 GLU 4 4.681 0.819 3.897 33 HB3 GLU 4 HB1 GLU 4 6.126 1.254 4.796 34 HG2 GLU 4 HG2 GLU 4 4.784 2.910 5.616 35 HG3 GLU 4 HG1 GLU 4 5.275 3.727 4.132 36 H LEU 5 HN LEU 5 5.469 -0.319 1.585 37 HA LEU 5 HA LEU 5 7.634 -1.989 2.224 38 HB2 LEU 5 HB2 LEU 5 5.619 -1.984 -0.025 39 HB3 LEU 5 HB1 LEU 5 6.807 -3.255 0.183 40 HG LEU 5 HG LEU 5 5.411 -2.624 2.670 41 HD11 LEU 5 HD11 LEU 5 3.875 -3.127 0.174 42 HD12 LEU 5 HD12 LEU 5 3.396 -2.283 1.645 43 HD13 LEU 5 HD13 LEU 5 3.384 -4.044 1.597 44 HD21 LEU 5 HD21 LEU 5 5.876 -4.806 3.028 45 HD22 LEU 5 HD22 LEU 5 6.739 -4.786 1.490 46 HD23 LEU 5 HD23 LEU 5 5.051 -5.292 1.549 47 H ILE 6 HN ILE 6 6.950 0.155 -0.488 48 HA ILE 6 HA ILE 6 9.218 -0.464 -2.045 49 HB ILE 6 HB ILE 6 7.944 2.268 -1.970 50 HG12 ILE 6 HG12 ILE 6 6.050 0.778 -1.913 51 HG13 ILE 6 HG11 ILE 6 6.245 1.275 -3.591 52 HG21 ILE 6 HG21 ILE 6 8.337 2.082 -4.425 53 HG22 ILE 6 HG22 ILE 6 9.040 0.484 -4.174 54 HG23 ILE 6 HG23 ILE 6 9.829 1.910 -3.502 55 HD11 ILE 6 HD11 ILE 6 7.729 -0.850 -3.801 56 HD12 ILE 6 HD12 ILE 6 5.977 -1.049 -3.765 57 HD13 ILE 6 HD13 ILE 6 6.930 -1.355 -2.313 58 H VAL 7 HN VAL 7 8.556 2.114 0.297 59 HA VAL 7 HA VAL 7 11.067 3.364 0.194 60 HB VAL 7 HB VAL 7 9.290 3.147 2.640 61 HG11 VAL 7 HG11 VAL 7 10.679 5.666 1.985 62 HG12 VAL 7 HG12 VAL 7 11.756 4.325 2.375 63 HG13 VAL 7 HG13 VAL 7 10.526 4.836 3.530 64 HG21 VAL 7 HG21 VAL 7 8.943 5.569 1.100 65 HG22 VAL 7 HG22 VAL 7 7.731 4.389 1.597 66 HG23 VAL 7 HG23 VAL 7 8.613 4.159 0.089 67 H HIS 8 HN HIS 8 10.012 0.424 1.694 68 HA HIS 8 HA HIS 8 12.283 0.194 3.448 69 HB2 HIS 8 HB2 HIS 8 10.138 -0.843 4.046 70 HB3 HIS 8 HB1 HIS 8 10.217 -1.849 2.605 71 HD2 HIS 8 HD2 HIS 8 10.645 -4.292 3.960 72 HE1 HIS 8 HE1 HIS 8 14.229 -3.149 5.873 73 HE2 HIS 8 HE2 HIS 8 12.685 -5.106 5.377 74 H GLN 9 HN GLN 9 11.184 -1.628 0.570 75 HA GLN 9 HA GLN 9 13.712 -2.957 0.327 76 HB2 GLN 9 HB2 GLN 9 12.711 -3.977 -1.698 77 HB3 GLN 9 HB1 GLN 9 11.703 -4.147 -0.266 78 HG2 GLN 9 HG2 GLN 9 10.007 -3.095 -1.305 79 HG3 GLN 9 HG1 GLN 9 11.022 -1.678 -1.554 80 HE21 GLN 9 HE21 GLN 9 12.962 -2.774 -3.340 81 HE22 GLN 9 HE22 GLN 9 12.184 -3.202 -4.787 82 H ARG 10 HN ARG 10 12.230 -0.156 -1.194 83 HA ARG 10 HA ARG 10 13.010 1.342 -2.723 84 HB2 ARG 10 HB2 ARG 10 15.469 0.349 -1.370 85 HB3 ARG 10 HB1 ARG 10 15.694 1.245 -2.875 86 HG2 ARG 10 HG2 ARG 10 15.618 3.033 -1.423 87 HG3 ARG 10 HG1 ARG 10 13.888 2.844 -1.721 88 HD2 ARG 10 HD2 ARG 10 14.216 2.999 0.663 89 HD3 ARG 10 HD1 ARG 10 13.751 1.350 0.266 90 HE ARG 10 HE ARG 10 16.541 1.402 0.272 91 HH11 ARG 10 HH11 ARG 10 17.689 0.784 2.137 92 HH12 ARG 10 HH12 ARG 10 16.902 0.798 3.681 93 HH21 ARG 10 HH21 ARG 10 13.862 1.931 2.433 94 HH22 ARG 10 HH22 ARG 10 14.740 1.450 3.855 95 HN1 NH2 11 H1 ARG 10 15.399 -1.305 -3.238 96 HN2 NH2 11 H2 ARG 10 14.995 -1.529 -4.874 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 -0.562 0.234 4.361 2 H2 SER 1 HT2 SER 1 -0.040 -0.985 3.309 3 H3 SER 1 HT3 SER 1 -0.561 0.515 2.699 4 HA SER 1 HA SER 1 1.309 1.628 3.455 5 HB2 SER 1 HB2 SER 1 2.742 -0.453 4.828 6 HB3 SER 1 HB1 SER 1 2.200 1.102 5.439 7 HG SER 1 HG SER 1 1.145 -0.394 6.642 8 H ARG 2 HN ARG 2 0.809 0.459 1.087 9 HA ARG 2 HA ARG 2 2.702 -1.530 0.334 10 HB2 ARG 2 HB2 ARG 2 0.490 -0.945 -0.805 11 HB3 ARG 2 HB1 ARG 2 1.353 0.407 -1.532 12 HG2 ARG 2 HG2 ARG 2 3.121 -1.459 -2.169 13 HG3 ARG 2 HG1 ARG 2 1.739 -2.517 -1.962 14 HD2 ARG 2 HD2 ARG 2 2.031 -1.658 -4.310 15 HD3 ARG 2 HD1 ARG 2 0.455 -1.332 -3.582 16 HE ARG 2 HE ARG 2 1.004 0.920 -3.441 17 HH11 ARG 2 HH11 ARG 2 2.383 2.613 -3.554 18 HH12 ARG 2 HH12 ARG 2 3.988 2.450 -4.187 19 HH21 ARG 2 HH21 ARG 2 3.669 -0.984 -4.617 20 HH22 ARG 2 HH22 ARG 2 4.723 0.378 -4.799 21 H PHE 3 HN PHE 3 2.605 2.021 0.029 22 HA PHE 3 HA PHE 3 4.951 2.340 -1.498 23 HB2 PHE 3 HB2 PHE 3 3.102 4.050 -0.311 24 HB3 PHE 3 HB1 PHE 3 4.636 4.446 0.476 25 HD1 PHE 3 HD1 PHE 3 6.714 4.575 -1.031 26 HD2 PHE 3 HD2 PHE 3 2.698 4.887 -2.517 27 HE1 PHE 3 HE1 PHE 3 7.568 5.597 -3.109 28 HE2 PHE 3 HE2 PHE 3 3.564 5.921 -4.601 29 HZ PHE 3 HZ PHE 3 5.993 6.251 -4.885 30 H GLU 4 HN GLU 4 4.482 1.807 1.957 31 HA GLU 4 HA GLU 4 6.997 2.555 2.889 32 HB2 GLU 4 HB2 GLU 4 4.983 0.502 3.793 33 HB3 GLU 4 HB1 GLU 4 6.506 0.716 4.639 34 HG2 GLU 4 HG2 GLU 4 4.830 2.099 5.720 35 HG3 GLU 4 HG1 GLU 4 5.978 3.148 4.896 36 H LEU 5 HN LEU 5 5.901 -0.464 1.400 37 HA LEU 5 HA LEU 5 8.223 -1.975 1.833 38 HB2 LEU 5 HB2 LEU 5 6.098 -1.998 -0.307 39 HB3 LEU 5 HB1 LEU 5 7.414 -3.154 -0.270 40 HG LEU 5 HG LEU 5 6.196 -2.919 2.355 41 HD11 LEU 5 HD11 LEU 5 4.109 -4.262 1.400 42 HD12 LEU 5 HD12 LEU 5 4.426 -3.277 -0.028 43 HD13 LEU 5 HD13 LEU 5 4.086 -2.505 1.522 44 HD21 LEU 5 HD21 LEU 5 7.635 -4.785 1.184 45 HD22 LEU 5 HD22 LEU 5 6.075 -5.348 0.582 46 HD23 LEU 5 HD23 LEU 5 6.373 -5.252 2.320 47 H ILE 6 HN ILE 6 7.225 0.258 -0.696 48 HA ILE 6 HA ILE 6 9.482 0.015 -2.369 49 HB ILE 6 HB ILE 6 7.946 2.581 -2.037 50 HG12 ILE 6 HG12 ILE 6 6.217 0.887 -1.983 51 HG13 ILE 6 HG11 ILE 6 6.240 1.577 -3.603 52 HG21 ILE 6 HG21 ILE 6 9.837 2.340 -3.685 53 HG22 ILE 6 HG22 ILE 6 8.291 2.727 -4.436 54 HG23 ILE 6 HG23 ILE 6 8.909 1.076 -4.493 55 HD11 ILE 6 HD11 ILE 6 7.752 -0.942 -2.867 56 HD12 ILE 6 HD12 ILE 6 7.432 -0.309 -4.480 57 HD13 ILE 6 HD13 ILE 6 6.113 -0.958 -3.507 58 H VAL 7 HN VAL 7 8.668 2.089 0.351 59 HA VAL 7 HA VAL 7 11.050 3.660 0.263 60 HB VAL 7 HB VAL 7 9.252 3.130 2.651 61 HG11 VAL 7 HG11 VAL 7 11.196 4.227 3.414 62 HG12 VAL 7 HG12 VAL 7 10.054 5.541 3.132 63 HG13 VAL 7 HG13 VAL 7 11.321 5.203 1.954 64 HG21 VAL 7 HG21 VAL 7 8.897 5.648 1.198 65 HG22 VAL 7 HG22 VAL 7 7.674 4.505 1.754 66 HG23 VAL 7 HG23 VAL 7 8.492 4.250 0.211 67 H HIS 8 HN HIS 8 10.035 0.819 2.143 68 HA HIS 8 HA HIS 8 12.334 0.557 3.723 69 HB2 HIS 8 HB2 HIS 8 10.209 -0.766 4.005 70 HB3 HIS 8 HB1 HIS 8 10.699 -1.731 2.609 71 HD2 HIS 8 HD2 HIS 8 12.927 -0.639 5.741 72 HE1 HIS 8 HE1 HIS 8 13.183 -4.824 5.220 73 HE2 HIS 8 HE2 HIS 8 14.017 -2.857 6.596 74 H GLN 9 HN GLN 9 11.527 -0.989 0.623 75 HA GLN 9 HA GLN 9 14.137 -2.094 0.307 76 HB2 GLN 9 HB2 GLN 9 13.417 -2.778 -1.899 77 HB3 GLN 9 HB1 GLN 9 12.118 -3.093 -0.748 78 HG2 GLN 9 HG2 GLN 9 10.784 -1.932 -2.165 79 HG3 GLN 9 HG1 GLN 9 11.610 -0.495 -1.580 80 HE21 GLN 9 HE21 GLN 9 14.209 -1.109 -2.853 81 HE22 GLN 9 HE22 GLN 9 13.971 -0.939 -4.528 82 H ARG 10 HN ARG 10 12.864 1.002 -0.066 83 HA ARG 10 HA ARG 10 13.661 2.950 -0.888 84 HB2 ARG 10 HB2 ARG 10 16.045 1.357 -0.283 85 HB3 ARG 10 HB1 ARG 10 16.322 2.602 -1.497 86 HG2 ARG 10 HG2 ARG 10 16.494 4.031 0.252 87 HG3 ARG 10 HG1 ARG 10 14.737 3.921 0.310 88 HD2 ARG 10 HD2 ARG 10 16.667 3.061 2.270 89 HD3 ARG 10 HD1 ARG 10 14.914 3.139 2.383 90 HE ARG 10 HE ARG 10 14.804 0.850 1.899 91 HH11 ARG 10 HH11 ARG 10 15.784 -1.187 1.961 92 HH12 ARG 10 HH12 ARG 10 17.498 -1.330 1.715 93 HH21 ARG 10 HH21 ARG 10 18.006 2.089 1.368 94 HH22 ARG 10 HH22 ARG 10 18.759 0.529 1.380 95 HN1 NH2 11 H1 ARG 10 12.298 1.617 -2.793 96 HN2 NH2 11 H2 ARG 10 13.076 1.745 -4.299 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 1.278 1.257 2.557 2 H2 SER 1 HT2 SER 1 1.316 1.281 4.255 3 H3 SER 1 HT3 SER 1 0.116 0.390 3.444 4 HA SER 1 HA SER 1 2.735 -0.385 4.192 5 HB2 SER 1 HB2 SER 1 1.254 -2.423 2.861 6 HB3 SER 1 HB1 SER 1 1.472 -2.201 4.595 7 HG SER 1 HG SER 1 -0.762 -2.072 3.488 8 H ARG 2 HN ARG 2 0.952 -0.276 1.102 9 HA ARG 2 HA ARG 2 2.849 -1.540 -0.496 10 HB2 ARG 2 HB2 ARG 2 0.405 -0.510 -0.950 11 HB3 ARG 2 HB1 ARG 2 1.389 0.749 -1.680 12 HG2 ARG 2 HG2 ARG 2 2.634 -1.369 -2.749 13 HG3 ARG 2 HG1 ARG 2 1.076 -2.097 -2.456 14 HD2 ARG 2 HD2 ARG 2 1.282 -1.050 -4.726 15 HD3 ARG 2 HD1 ARG 2 -0.065 -0.448 -3.752 16 HE ARG 2 HE ARG 2 0.927 1.615 -3.832 17 HH11 ARG 2 HH11 ARG 2 2.647 2.973 -3.583 18 HH12 ARG 2 HH12 ARG 2 4.274 2.449 -3.868 19 HH21 ARG 2 HH21 ARG 2 3.314 -0.847 -4.421 20 HH22 ARG 2 HH22 ARG 2 4.655 0.239 -4.301 21 H PHE 3 HN PHE 3 2.511 1.948 0.196 22 HA PHE 3 HA PHE 3 4.764 2.658 -1.415 23 HB2 PHE 3 HB2 PHE 3 2.746 4.041 -0.043 24 HB3 PHE 3 HB1 PHE 3 4.281 4.596 0.644 25 HD1 PHE 3 HD1 PHE 3 2.062 4.875 -2.129 26 HD2 PHE 3 HD2 PHE 3 6.208 5.053 -1.037 27 HE1 PHE 3 HE1 PHE 3 2.559 6.090 -4.224 28 HE2 PHE 3 HE2 PHE 3 6.707 6.275 -3.138 29 HZ PHE 3 HZ PHE 3 4.873 6.770 -4.725 30 H GLU 4 HN GLU 4 4.350 1.935 2.022 31 HA GLU 4 HA GLU 4 6.816 2.835 2.956 32 HB2 GLU 4 HB2 GLU 4 5.119 0.510 3.874 33 HB3 GLU 4 HB1 GLU 4 6.438 1.230 4.790 34 HG2 GLU 4 HG2 GLU 4 4.776 2.535 5.662 35 HG3 GLU 4 HG1 GLU 4 5.023 3.466 4.186 36 H LEU 5 HN LEU 5 5.958 -0.287 1.445 37 HA LEU 5 HA LEU 5 8.378 -1.609 1.939 38 HB2 LEU 5 HB2 LEU 5 6.434 -1.815 -0.368 39 HB3 LEU 5 HB1 LEU 5 7.735 -2.948 -0.058 40 HG LEU 5 HG LEU 5 6.059 -2.418 2.294 41 HD11 LEU 5 HD11 LEU 5 4.494 -2.366 0.220 42 HD12 LEU 5 HD12 LEU 5 4.064 -3.418 1.565 43 HD13 LEU 5 HD13 LEU 5 4.820 -4.095 0.123 44 HD21 LEU 5 HD21 LEU 5 6.666 -5.052 0.922 45 HD22 LEU 5 HD22 LEU 5 6.326 -4.765 2.630 46 HD23 LEU 5 HD23 LEU 5 7.854 -4.227 1.935 47 H ILE 6 HN ILE 6 7.345 0.592 -0.594 48 HA ILE 6 HA ILE 6 9.558 0.381 -2.306 49 HB ILE 6 HB ILE 6 8.072 2.960 -1.838 50 HG12 ILE 6 HG12 ILE 6 6.307 1.337 -1.854 51 HG13 ILE 6 HG11 ILE 6 6.375 2.015 -3.478 52 HG21 ILE 6 HG21 ILE 6 9.823 3.026 -3.515 53 HG22 ILE 6 HG22 ILE 6 8.270 3.020 -4.350 54 HG23 ILE 6 HG23 ILE 6 9.226 1.543 -4.260 55 HD11 ILE 6 HD11 ILE 6 8.145 -0.040 -3.712 56 HD12 ILE 6 HD12 ILE 6 6.436 -0.153 -4.130 57 HD13 ILE 6 HD13 ILE 6 6.995 -0.713 -2.555 58 H VAL 7 HN VAL 7 8.901 2.678 0.311 59 HA VAL 7 HA VAL 7 11.501 3.879 0.102 60 HB VAL 7 HB VAL 7 10.828 5.028 2.238 61 HG11 VAL 7 HG11 VAL 7 8.890 5.072 -0.102 62 HG12 VAL 7 HG12 VAL 7 10.355 6.041 0.055 63 HG13 VAL 7 HG13 VAL 7 8.992 6.322 1.139 64 HG21 VAL 7 HG21 VAL 7 9.341 3.199 3.069 65 HG22 VAL 7 HG22 VAL 7 8.223 3.558 1.753 66 HG23 VAL 7 HG23 VAL 7 8.525 4.761 3.004 67 H HIS 8 HN HIS 8 10.039 1.449 2.208 68 HA HIS 8 HA HIS 8 12.217 1.340 4.038 69 HB2 HIS 8 HB2 HIS 8 9.841 0.627 4.488 70 HB3 HIS 8 HB1 HIS 8 10.183 -0.826 3.546 71 HD2 HIS 8 HD2 HIS 8 11.475 -2.823 4.977 72 HE1 HIS 8 HE1 HIS 8 12.554 -0.501 8.337 73 HE2 HIS 8 HE2 HIS 8 12.559 -2.844 7.355 74 H GLN 9 HN GLN 9 11.431 -0.565 1.131 75 HA GLN 9 HA GLN 9 13.132 -2.714 1.512 76 HB2 GLN 9 HB2 GLN 9 13.204 -2.961 -0.919 77 HB3 GLN 9 HB1 GLN 9 11.578 -2.520 -0.397 78 HG2 GLN 9 HG2 GLN 9 12.211 -0.106 -0.873 79 HG3 GLN 9 HG1 GLN 9 13.673 -0.716 -1.640 80 HE21 GLN 9 HE21 GLN 9 10.219 -1.748 -1.705 81 HE22 GLN 9 HE22 GLN 9 10.111 -1.782 -3.401 82 H ARG 10 HN ARG 10 14.021 0.576 0.619 83 HA ARG 10 HA ARG 10 16.595 0.106 -0.375 84 HB2 ARG 10 HB2 ARG 10 15.348 2.414 1.084 85 HB3 ARG 10 HB1 ARG 10 17.082 2.417 0.756 86 HG2 ARG 10 HG2 ARG 10 16.460 3.317 -1.247 87 HG3 ARG 10 HG1 ARG 10 16.107 1.644 -1.681 88 HD2 ARG 10 HD2 ARG 10 14.240 3.375 -2.086 89 HD3 ARG 10 HD1 ARG 10 13.801 1.895 -1.248 90 HE ARG 10 HE ARG 10 13.606 3.114 0.784 91 HH11 ARG 10 HH11 ARG 10 13.133 5.047 1.793 92 HH12 ARG 10 HH12 ARG 10 13.375 6.556 0.980 93 HH21 ARG 10 HH21 ARG 10 14.584 5.074 -1.918 94 HH22 ARG 10 HH22 ARG 10 14.205 6.569 -1.131 95 HN1 NH2 11 H1 ARG 10 15.404 -0.189 2.899 96 HN2 NH2 11 H2 ARG 10 16.911 -0.492 3.622 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 2.353 2.811 3.033 2 H2 SER 1 HT2 SER 1 1.863 2.856 4.653 3 H3 SER 1 HT3 SER 1 0.708 2.997 3.409 4 HA SER 1 HA SER 1 1.871 0.655 4.575 5 HB2 SER 1 HB2 SER 1 -0.307 0.106 2.859 6 HB3 SER 1 HB1 SER 1 -0.347 0.280 4.609 7 HG SER 1 HG SER 1 -1.760 1.763 3.606 8 H ARG 2 HN ARG 2 0.693 1.242 1.263 9 HA ARG 2 HA ARG 2 2.129 -0.870 0.083 10 HB2 ARG 2 HB2 ARG 2 0.137 0.453 -0.846 11 HB3 ARG 2 HB1 ARG 2 1.323 1.647 -1.362 12 HG2 ARG 2 HG2 ARG 2 2.561 -0.378 -2.433 13 HG3 ARG 2 HG1 ARG 2 1.018 -1.187 -2.281 14 HD2 ARG 2 HD2 ARG 2 1.233 -0.101 -4.486 15 HD3 ARG 2 HD1 ARG 2 -0.094 0.580 -3.542 16 HE ARG 2 HE ARG 2 1.167 2.528 -3.202 17 HH11 ARG 2 HH11 ARG 2 3.007 3.708 -3.406 18 HH12 ARG 2 HH12 ARG 2 4.313 3.201 -4.423 19 HH21 ARG 2 HH21 ARG 2 2.801 0.160 -5.167 20 HH22 ARG 2 HH22 ARG 2 4.202 1.146 -5.417 21 H PHE 3 HN PHE 3 2.841 2.605 0.217 22 HA PHE 3 HA PHE 3 5.150 2.607 -1.348 23 HB2 PHE 3 HB2 PHE 3 3.873 4.420 0.575 24 HB3 PHE 3 HB1 PHE 3 5.623 4.621 0.429 25 HD1 PHE 3 HD1 PHE 3 6.645 4.700 -1.896 26 HD2 PHE 3 HD2 PHE 3 2.446 5.200 -1.142 27 HE1 PHE 3 HE1 PHE 3 6.367 5.690 -4.144 28 HE2 PHE 3 HE2 PHE 3 2.165 6.197 -3.394 29 HZ PHE 3 HZ PHE 3 4.131 6.416 -4.885 30 H GLU 4 HN GLU 4 4.800 2.079 2.161 31 HA GLU 4 HA GLU 4 7.487 2.141 2.857 32 HB2 GLU 4 HB2 GLU 4 5.172 0.568 3.991 33 HB3 GLU 4 HB1 GLU 4 6.759 0.632 4.742 34 HG2 GLU 4 HG2 GLU 4 5.817 2.431 5.824 35 HG3 GLU 4 HG1 GLU 4 6.392 3.263 4.384 36 H LEU 5 HN LEU 5 5.579 -0.534 1.511 37 HA LEU 5 HA LEU 5 7.485 -2.561 1.866 38 HB2 LEU 5 HB2 LEU 5 5.285 -2.071 -0.133 39 HB3 LEU 5 HB1 LEU 5 6.318 -3.485 -0.233 40 HG LEU 5 HG LEU 5 5.373 -3.030 2.488 41 HD11 LEU 5 HD11 LEU 5 3.483 -2.567 0.394 42 HD12 LEU 5 HD12 LEU 5 3.197 -2.632 2.132 43 HD13 LEU 5 HD13 LEU 5 3.082 -4.101 1.165 44 HD21 LEU 5 HD21 LEU 5 4.674 -5.421 0.813 45 HD22 LEU 5 HD22 LEU 5 5.172 -5.344 2.503 46 HD23 LEU 5 HD23 LEU 5 6.366 -5.139 1.223 47 H ILE 6 HN ILE 6 7.123 0.004 -0.478 48 HA ILE 6 HA ILE 6 9.233 -0.922 -2.198 49 HB ILE 6 HB ILE 6 8.085 1.872 -2.121 50 HG12 ILE 6 HG12 ILE 6 6.135 0.450 -2.156 51 HG13 ILE 6 HG11 ILE 6 6.413 0.950 -3.825 52 HG21 ILE 6 HG21 ILE 6 8.792 0.288 -4.576 53 HG22 ILE 6 HG22 ILE 6 10.088 0.998 -3.613 54 HG23 ILE 6 HG23 ILE 6 8.847 2.032 -4.317 55 HD11 ILE 6 HD11 ILE 6 7.886 -1.244 -3.894 56 HD12 ILE 6 HD12 ILE 6 6.137 -1.335 -4.113 57 HD13 ILE 6 HD13 ILE 6 6.853 -1.719 -2.548 58 H VAL 7 HN VAL 7 8.705 1.654 0.147 59 HA VAL 7 HA VAL 7 11.263 2.821 0.082 60 HB VAL 7 HB VAL 7 9.480 2.582 2.524 61 HG11 VAL 7 HG11 VAL 7 10.485 4.860 2.967 62 HG12 VAL 7 HG12 VAL 7 11.584 4.568 1.619 63 HG13 VAL 7 HG13 VAL 7 11.640 3.529 3.045 64 HG21 VAL 7 HG21 VAL 7 7.964 3.953 1.538 65 HG22 VAL 7 HG22 VAL 7 8.792 3.656 0.009 66 HG23 VAL 7 HG23 VAL 7 9.232 5.048 0.995 67 H HIS 8 HN HIS 8 10.156 -0.164 1.349 68 HA HIS 8 HA HIS 8 11.834 -0.746 3.441 69 HB2 HIS 8 HB2 HIS 8 10.041 -2.227 2.447 70 HB3 HIS 8 HB1 HIS 8 11.192 -2.680 1.195 71 HD2 HIS 8 HD2 HIS 8 13.159 -4.523 2.021 72 HE1 HIS 8 HE1 HIS 8 11.899 -4.788 6.043 73 HE2 HIS 8 HE2 HIS 8 13.442 -5.788 4.285 74 H GLN 9 HN GLN 9 12.657 -0.409 0.061 75 HA GLN 9 HA GLN 9 15.175 -1.721 0.205 76 HB2 GLN 9 HB2 GLN 9 15.649 -0.589 -1.932 77 HB3 GLN 9 HB1 GLN 9 14.066 -1.365 -1.935 78 HG2 GLN 9 HG2 GLN 9 13.399 0.678 -2.738 79 HG3 GLN 9 HG1 GLN 9 13.353 1.083 -1.024 80 HE21 GLN 9 HE21 GLN 9 16.022 0.798 -3.451 81 HE22 GLN 9 HE22 GLN 9 16.689 2.318 -3.093 82 H ARG 10 HN ARG 10 14.016 1.386 1.114 83 HA ARG 10 HA ARG 10 14.974 3.246 2.020 84 HB2 ARG 10 HB2 ARG 10 16.658 0.991 2.984 85 HB3 ARG 10 HB1 ARG 10 17.237 2.630 3.265 86 HG2 ARG 10 HG2 ARG 10 15.920 2.430 5.144 87 HG3 ARG 10 HG1 ARG 10 14.673 2.970 4.025 88 HD2 ARG 10 HD2 ARG 10 14.064 0.920 5.398 89 HD3 ARG 10 HD1 ARG 10 13.904 0.734 3.656 90 HE ARG 10 HE ARG 10 15.628 -0.826 3.706 91 HH11 ARG 10 HH11 ARG 10 17.254 -2.053 4.743 92 HH12 ARG 10 HH12 ARG 10 17.717 -1.671 6.369 93 HH21 ARG 10 HH21 ARG 10 15.435 0.940 6.684 94 HH22 ARG 10 HH22 ARG 10 16.680 0.027 7.468 95 HN1 NH2 11 H1 ARG 10 17.813 1.417 0.720 96 HN2 NH2 11 H2 ARG 10 18.420 2.746 -0.152 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 -0.331 -0.117 3.880 2 H2 SER 1 HT2 SER 1 0.647 -1.137 4.824 3 H3 SER 1 HT3 SER 1 0.552 -1.366 3.148 4 HA SER 1 HA SER 1 1.347 1.279 3.687 5 HB2 SER 1 HB2 SER 1 3.522 -0.441 4.615 6 HB3 SER 1 HB1 SER 1 2.895 1.051 5.309 7 HG SER 1 HG SER 1 2.494 -1.460 6.111 8 H ARG 2 HN ARG 2 0.759 0.347 1.382 9 HA ARG 2 HA ARG 2 2.517 -1.305 -0.030 10 HB2 ARG 2 HB2 ARG 2 0.223 -0.397 -0.751 11 HB3 ARG 2 HB1 ARG 2 1.090 1.049 -1.261 12 HG2 ARG 2 HG2 ARG 2 2.641 -0.578 -2.548 13 HG3 ARG 2 HG1 ARG 2 1.354 -1.741 -2.316 14 HD2 ARG 2 HD2 ARG 2 1.109 -0.553 -4.463 15 HD3 ARG 2 HD1 ARG 2 -0.256 -0.250 -3.383 16 HE ARG 2 HE ARG 2 0.445 1.951 -3.156 17 HH11 ARG 2 HH11 ARG 2 1.906 3.572 -3.332 18 HH12 ARG 2 HH12 ARG 2 3.400 3.378 -4.190 19 HH21 ARG 2 HH21 ARG 2 2.787 0.030 -4.837 20 HH22 ARG 2 HH22 ARG 2 3.897 1.340 -5.042 21 H PHE 3 HN PHE 3 2.523 2.284 0.136 22 HA PHE 3 HA PHE 3 4.822 2.596 -1.482 23 HB2 PHE 3 HB2 PHE 3 3.072 4.297 -0.076 24 HB3 PHE 3 HB1 PHE 3 4.711 4.686 0.472 25 HD1 PHE 3 HD1 PHE 3 2.342 5.229 -2.101 26 HD2 PHE 3 HD2 PHE 3 6.547 4.657 -1.413 27 HE1 PHE 3 HE1 PHE 3 2.853 6.228 -4.312 28 HE2 PHE 3 HE2 PHE 3 7.053 5.673 -3.607 29 HZ PHE 3 HZ PHE 3 5.204 6.437 -5.049 30 H GLU 4 HN GLU 4 4.441 2.062 1.979 31 HA GLU 4 HA GLU 4 7.036 2.647 2.812 32 HB2 GLU 4 HB2 GLU 4 4.938 0.733 3.820 33 HB3 GLU 4 HB1 GLU 4 6.487 0.926 4.627 34 HG2 GLU 4 HG2 GLU 4 5.272 2.530 5.754 35 HG3 GLU 4 HG1 GLU 4 5.897 3.511 4.436 36 H LEU 5 HN LEU 5 5.662 -0.344 1.453 37 HA LEU 5 HA LEU 5 7.889 -2.007 1.814 38 HB2 LEU 5 HB2 LEU 5 5.673 -1.897 -0.232 39 HB3 LEU 5 HB1 LEU 5 6.938 -3.107 -0.319 40 HG LEU 5 HG LEU 5 5.841 -2.859 2.378 41 HD11 LEU 5 HD11 LEU 5 4.035 -3.443 0.037 42 HD12 LEU 5 HD12 LEU 5 3.752 -2.362 1.397 43 HD13 LEU 5 HD13 LEU 5 3.703 -4.107 1.637 44 HD21 LEU 5 HD21 LEU 5 6.075 -5.170 2.365 45 HD22 LEU 5 HD22 LEU 5 7.262 -4.730 1.138 46 HD23 LEU 5 HD23 LEU 5 5.669 -5.311 0.656 47 H ILE 6 HN ILE 6 7.037 0.296 -0.728 48 HA ILE 6 HA ILE 6 9.231 -0.224 -2.434 49 HB ILE 6 HB ILE 6 7.858 2.448 -2.125 50 HG12 ILE 6 HG12 ILE 6 6.021 0.940 -2.246 51 HG13 ILE 6 HG11 ILE 6 6.265 1.478 -3.904 52 HG21 ILE 6 HG21 ILE 6 8.141 2.154 -4.738 53 HG22 ILE 6 HG22 ILE 6 9.381 0.990 -4.269 54 HG23 ILE 6 HG23 ILE 6 9.509 2.675 -3.760 55 HD11 ILE 6 HD11 ILE 6 6.144 -0.812 -4.224 56 HD12 ILE 6 HD12 ILE 6 6.874 -1.174 -2.661 57 HD13 ILE 6 HD13 ILE 6 7.882 -0.620 -4.000 58 H VAL 7 HN VAL 7 8.718 2.007 0.233 59 HA VAL 7 HA VAL 7 11.292 3.265 -0.036 60 HB VAL 7 HB VAL 7 9.610 3.261 2.466 61 HG11 VAL 7 HG11 VAL 7 11.694 5.025 1.218 62 HG12 VAL 7 HG12 VAL 7 11.561 4.462 2.884 63 HG13 VAL 7 HG13 VAL 7 10.494 5.738 2.295 64 HG21 VAL 7 HG21 VAL 7 8.860 4.183 -0.194 65 HG22 VAL 7 HG22 VAL 7 8.935 5.526 0.945 66 HG23 VAL 7 HG23 VAL 7 7.900 4.143 1.283 67 H HIS 8 HN HIS 8 9.937 0.665 1.909 68 HA HIS 8 HA HIS 8 11.840 0.272 3.849 69 HB2 HIS 8 HB2 HIS 8 9.654 -0.992 3.394 70 HB3 HIS 8 HB1 HIS 8 10.622 -2.034 2.352 71 HD2 HIS 8 HD2 HIS 8 12.946 -3.210 3.866 72 HE1 HIS 8 HE1 HIS 8 10.793 -3.068 7.500 73 HE2 HIS 8 HE2 HIS 8 12.825 -4.059 6.337 74 H GLN 9 HN GLN 9 12.180 -0.435 0.428 75 HA GLN 9 HA GLN 9 14.209 -2.334 0.460 76 HB2 GLN 9 HB2 GLN 9 14.927 -1.348 -1.727 77 HB3 GLN 9 HB1 GLN 9 13.200 -1.681 -1.630 78 HG2 GLN 9 HG2 GLN 9 13.017 0.460 -2.399 79 HG3 GLN 9 HG1 GLN 9 13.238 0.875 -0.697 80 HE21 GLN 9 HE21 GLN 9 15.497 -0.130 -3.338 81 HE22 GLN 9 HE22 GLN 9 16.573 1.157 -3.095 82 H ARG 10 HN ARG 10 14.452 1.174 0.920 83 HA ARG 10 HA ARG 10 16.253 2.530 1.420 84 HB2 ARG 10 HB2 ARG 10 16.336 0.179 3.237 85 HB3 ARG 10 HB1 ARG 10 17.760 1.219 3.230 86 HG2 ARG 10 HG2 ARG 10 16.504 2.352 4.802 87 HG3 ARG 10 HG1 ARG 10 15.877 3.122 3.348 88 HD2 ARG 10 HD2 ARG 10 14.087 2.332 4.924 89 HD3 ARG 10 HD1 ARG 10 13.968 1.669 3.302 90 HE ARG 10 HE ARG 10 14.418 -0.454 4.168 91 HH11 ARG 10 HH11 ARG 10 14.738 -1.881 5.907 92 HH12 ARG 10 HH12 ARG 10 15.169 -1.274 7.473 93 HH21 ARG 10 HH21 ARG 10 15.179 2.060 6.442 94 HH22 ARG 10 HH22 ARG 10 15.416 0.981 7.777 95 HN1 NH2 11 H1 ARG 10 18.490 -0.043 2.116 96 HN2 NH2 11 H2 ARG 10 19.414 0.110 0.701 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 0.507 0.454 5.253 2 H2 SER 1 HT2 SER 1 2.204 0.534 5.206 3 H3 SER 1 HT3 SER 1 1.384 -0.730 4.421 4 HA SER 1 HA SER 1 0.252 1.112 3.085 5 HB2 SER 1 HB2 SER 1 1.991 2.606 4.772 6 HB3 SER 1 HB1 SER 1 2.605 2.731 3.130 7 HG SER 1 HG SER 1 0.727 4.148 4.070 8 H ARG 2 HN ARG 2 0.721 0.705 0.987 9 HA ARG 2 HA ARG 2 2.588 -1.255 0.275 10 HB2 ARG 2 HB2 ARG 2 0.505 -0.431 -0.991 11 HB3 ARG 2 HB1 ARG 2 1.562 0.815 -1.645 12 HG2 ARG 2 HG2 ARG 2 3.142 -1.257 -2.171 13 HG3 ARG 2 HG1 ARG 2 1.630 -2.131 -2.089 14 HD2 ARG 2 HD2 ARG 2 2.163 -1.355 -4.398 15 HD3 ARG 2 HD1 ARG 2 0.635 -0.720 -3.780 16 HE ARG 2 HE ARG 2 1.637 1.391 -3.510 17 HH11 ARG 2 HH11 ARG 2 3.316 2.765 -3.606 18 HH12 ARG 2 HH12 ARG 2 4.831 2.316 -4.325 19 HH21 ARG 2 HH21 ARG 2 3.795 -0.972 -4.879 20 HH22 ARG 2 HH22 ARG 2 5.106 0.147 -5.051 21 H PHE 3 HN PHE 3 2.757 2.272 0.146 22 HA PHE 3 HA PHE 3 5.132 2.585 -1.307 23 HB2 PHE 3 HB2 PHE 3 3.392 4.243 0.156 24 HB3 PHE 3 HB1 PHE 3 5.001 4.507 0.830 25 HD1 PHE 3 HD1 PHE 3 6.956 4.719 -0.878 26 HD2 PHE 3 HD2 PHE 3 2.812 5.273 -1.857 27 HE1 PHE 3 HE1 PHE 3 7.605 5.954 -2.926 28 HE2 PHE 3 HE2 PHE 3 3.461 6.517 -3.897 29 HZ PHE 3 HZ PHE 3 5.851 6.835 -4.423 30 H GLU 4 HN GLU 4 4.609 1.769 2.105 31 HA GLU 4 HA GLU 4 7.198 2.197 3.066 32 HB2 GLU 4 HB2 GLU 4 5.131 0.147 3.890 33 HB3 GLU 4 HB1 GLU 4 6.570 0.551 4.809 34 HG2 GLU 4 HG2 GLU 4 5.850 2.844 5.090 35 HG3 GLU 4 HG1 GLU 4 4.481 2.584 4.012 36 H LEU 5 HN LEU 5 5.751 -0.665 1.523 37 HA LEU 5 HA LEU 5 7.899 -2.418 1.839 38 HB2 LEU 5 HB2 LEU 5 5.856 -2.169 -0.376 39 HB3 LEU 5 HB1 LEU 5 6.933 -3.537 -0.166 40 HG LEU 5 HG LEU 5 5.508 -2.813 2.298 41 HD11 LEU 5 HD11 LEU 5 3.997 -2.699 -0.066 42 HD12 LEU 5 HD12 LEU 5 3.376 -2.845 1.578 43 HD13 LEU 5 HD13 LEU 5 3.664 -4.293 0.613 44 HD21 LEU 5 HD21 LEU 5 5.640 -5.401 0.727 45 HD22 LEU 5 HD22 LEU 5 5.205 -5.215 2.424 46 HD23 LEU 5 HD23 LEU 5 6.858 -4.897 1.903 47 H ILE 6 HN ILE 6 7.194 0.073 -0.514 48 HA ILE 6 HA ILE 6 9.401 -0.456 -2.232 49 HB ILE 6 HB ILE 6 8.072 2.228 -1.876 50 HG12 ILE 6 HG12 ILE 6 6.208 0.713 -1.977 51 HG13 ILE 6 HG11 ILE 6 6.405 1.384 -3.598 52 HG21 ILE 6 HG21 ILE 6 8.315 1.823 -4.531 53 HG22 ILE 6 HG22 ILE 6 9.646 0.812 -3.972 54 HG23 ILE 6 HG23 ILE 6 9.605 2.528 -3.562 55 HD11 ILE 6 HD11 ILE 6 6.082 -1.045 -3.732 56 HD12 ILE 6 HD12 ILE 6 7.443 -1.305 -2.647 57 HD13 ILE 6 HD13 ILE 6 7.712 -0.620 -4.250 58 H VAL 7 HN VAL 7 8.745 1.961 0.268 59 HA VAL 7 HA VAL 7 11.295 3.168 0.266 60 HB VAL 7 HB VAL 7 9.435 2.878 2.645 61 HG11 VAL 7 HG11 VAL 7 11.497 4.978 1.882 62 HG12 VAL 7 HG12 VAL 7 11.679 3.775 3.159 63 HG13 VAL 7 HG13 VAL 7 10.453 5.031 3.302 64 HG21 VAL 7 HG21 VAL 7 8.912 4.060 0.121 65 HG22 VAL 7 HG22 VAL 7 9.240 5.392 1.228 66 HG23 VAL 7 HG23 VAL 7 7.964 4.231 1.599 67 H HIS 8 HN HIS 8 10.013 0.319 1.860 68 HA HIS 8 HA HIS 8 11.967 -0.221 3.739 69 HB2 HIS 8 HB2 HIS 8 9.794 -1.510 3.110 70 HB3 HIS 8 HB1 HIS 8 10.833 -2.398 2.009 71 HD2 HIS 8 HD2 HIS 8 9.528 -3.497 5.061 72 HE1 HIS 8 HE1 HIS 8 13.644 -3.953 5.876 73 HE2 HIS 8 HE2 HIS 8 11.305 -4.615 6.610 74 H GLN 9 HN GLN 9 12.222 -0.277 0.268 75 HA GLN 9 HA GLN 9 14.458 -2.025 0.110 76 HB2 GLN 9 HB2 GLN 9 14.457 -1.559 -2.136 77 HB3 GLN 9 HB1 GLN 9 12.835 -0.985 -1.754 78 HG2 GLN 9 HG2 GLN 9 13.769 1.318 -1.453 79 HG3 GLN 9 HG1 GLN 9 15.349 0.716 -1.961 80 HE21 GLN 9 HE21 GLN 9 15.581 0.046 -4.228 81 HE22 GLN 9 HE22 GLN 9 14.445 0.528 -5.395 82 H ARG 10 HN ARG 10 14.030 1.253 1.115 83 HA ARG 10 HA ARG 10 15.494 2.950 1.621 84 HB2 ARG 10 HB2 ARG 10 16.509 0.442 2.801 85 HB3 ARG 10 HB1 ARG 10 17.662 1.767 2.751 86 HG2 ARG 10 HG2 ARG 10 16.634 2.358 4.715 87 HG3 ARG 10 HG1 ARG 10 15.501 3.125 3.600 88 HD2 ARG 10 HD2 ARG 10 14.694 1.422 5.521 89 HD3 ARG 10 HD1 ARG 10 13.842 1.614 3.998 90 HE ARG 10 HE ARG 10 14.535 -0.529 3.384 91 HH11 ARG 10 HH11 ARG 10 15.381 -2.575 3.893 92 HH12 ARG 10 HH12 ARG 10 16.477 -2.753 5.226 93 HH21 ARG 10 HH21 ARG 10 16.345 0.626 6.095 94 HH22 ARG 10 HH22 ARG 10 17.017 -0.921 6.489 95 HN1 NH2 11 H1 ARG 10 18.413 1.121 1.282 96 HN2 NH2 11 H2 ARG 10 18.889 1.784 -0.203
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