NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2626 | 1c98 | 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 1H GLY 1 -8.988 -0.761 -6.070 2 2H GLY 1 2H GLY 1 -9.516 -0.339 -4.511 3 3H GLY 1 3H GLY 1 -8.547 -1.716 -4.739 4 1HA GLY 1 2HA GLY 1 -6.739 -0.248 -5.554 5 2HA GLY 1 1HA GLY 1 -7.742 1.120 -5.067 6 H ASN 2 H ASN 2 -5.316 -0.891 -4.009 7 HA ASN 2 HA ASN 2 -6.074 -0.606 -1.150 8 1HB ASN 2 2HB ASN 2 -4.363 -2.487 -2.739 9 2HB ASN 2 1HB ASN 2 -3.972 -2.220 -1.037 10 1HD2 ASN 2 1HD2 ASN 2 -5.537 -2.894 0.570 11 2HD2 ASN 2 2HD2 ASN 2 -6.820 -3.938 0.182 12 H LEU 3 H LEU 3 -5.466 1.640 -1.215 13 HA LEU 3 HA LEU 3 -2.963 2.776 -1.930 14 1HB LEU 3 2HB LEU 3 -5.210 3.331 -0.078 15 2HB LEU 3 1HB LEU 3 -3.674 4.019 0.448 16 HG LEU 3 HG LEU 3 -3.936 4.470 -2.365 17 1HD1 LEU 3 1HD1 LEU 3 -6.041 6.135 -1.480 18 2HD1 LEU 3 2HD1 LEU 3 -6.453 4.505 -0.947 19 3HD1 LEU 3 3HD1 LEU 3 -6.141 4.823 -2.654 20 1HD2 LEU 3 1HD2 LEU 3 -2.802 5.748 -0.341 21 2HD2 LEU 3 2HD2 LEU 3 -4.347 6.597 -0.289 22 3HD2 LEU 3 3HD2 LEU 3 -3.364 6.642 -1.753 23 H TRP 4 H TRP 4 -4.105 0.765 0.571 24 HA TRP 4 HA TRP 4 -2.470 0.500 2.664 25 1HB TRP 4 2HB TRP 4 -3.956 -1.083 0.768 26 2HB TRP 4 1HB TRP 4 -2.633 -2.004 1.389 27 HD1 TRP 4 HD1 TRP 4 -2.721 -2.632 3.931 28 HE1 TRP 4 HE1 TRP 4 -4.671 -2.488 5.655 29 HE3 TRP 4 HE3 TRP 4 -5.756 0.200 1.279 30 HZ2 TRP 4 HZ2 TRP 4 -7.307 -1.226 5.793 31 HZ3 TRP 4 HZ3 TRP 4 -8.022 0.928 2.123 32 HH2 TRP 4 HH2 TRP 4 -8.787 0.204 4.382 33 H ALA 5 H ALA 5 -1.824 -1.365 -0.203 34 HA ALA 5 HA ALA 5 0.777 -2.164 0.217 35 1HB ALA 5 1HB ALA 5 0.661 -2.630 -2.163 36 2HB ALA 5 2HB ALA 5 -0.534 -1.352 -2.390 37 3HB ALA 5 3HB ALA 5 -0.960 -2.809 -1.493 38 H THR 6 H THR 6 -0.324 1.023 -0.662 39 HA THR 6 HA THR 6 2.184 1.945 -1.815 40 HB THR 6 HB THR 6 -0.055 3.566 -0.595 41 HG1 THR 6 1HG THR 6 -1.146 2.194 -1.870 42 1HG2 THR 6 1HG2 THR 6 2.129 3.979 -2.565 43 2HG2 THR 6 2HG2 THR 6 1.440 5.103 -1.393 44 3HG2 THR 6 3HG2 THR 6 0.592 4.774 -2.904 45 H GLY 7 H GLY 7 1.136 1.204 1.315 46 1HA GLY 7 2HA GLY 7 3.153 3.065 2.485 47 2HA GLY 7 1HA GLY 7 1.698 2.569 3.349 48 H HIS 8 H HIS 8 2.271 -0.165 1.902 49 HA HIS 8 HA HIS 8 3.805 -1.279 4.173 50 1HB HIS 8 2HB HIS 8 1.725 -2.334 3.459 51 2HB HIS 8 1HB HIS 8 2.331 -2.479 1.809 52 HD1 HIS 8 HD1 HIS 8 2.137 -4.307 4.934 53 HD2 HIS 8 HD2 HIS 8 4.786 -4.217 1.717 54 HE1 HIS 8 HE1 HIS 8 3.510 -6.430 5.078 55 H PHE 9 H PHE 9 4.059 -0.986 0.645 56 HA PHE 9 HA PHE 9 6.730 -2.282 0.676 57 1HB PHE 9 2HB PHE 9 4.705 -1.421 -1.378 58 2HB PHE 9 1HB PHE 9 6.358 -1.787 -1.872 59 HD1 PHE 9 HD1 PHE 9 7.346 -4.042 -0.877 60 HD2 PHE 9 HD2 PHE 9 3.160 -3.167 -1.279 61 HE1 PHE 9 HE1 PHE 9 6.832 -6.467 -0.805 62 HE2 PHE 9 HE2 PHE 9 2.646 -5.592 -1.207 63 HZ PHE 9 HZ PHE 9 4.482 -7.242 -0.971 64 H MET 10 H MET 10 5.214 0.864 0.111 65 HA MET 10 HA MET 10 7.910 2.077 -0.337 66 1HB MET 10 2HB MET 10 5.087 2.652 -1.138 67 2HB MET 10 1HB MET 10 6.161 4.034 -0.919 68 1HG MET 10 2HG MET 10 6.755 1.639 -2.681 69 2HG MET 10 1HG MET 10 6.185 3.204 -3.261 70 1HE MET 10 1HE MET 10 8.809 0.958 -2.296 71 2HE MET 10 2HE MET 10 10.313 1.812 -2.633 72 3HE MET 10 3HE MET 10 9.156 1.532 -3.933 73 1HN NH2 11 1HN NH2 11 5.187 1.910 1.860 74 2HN NH2 11 2HN NH2 11 5.748 3.052 2.974 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -7.084 3.565 -4.911 2 2H GLY 1 2H GLY 1 -8.177 2.830 -3.839 3 3H GLY 1 3H GLY 1 -8.423 2.720 -5.516 4 1HA GLY 1 2HA GLY 1 -7.480 0.705 -5.253 5 2HA GLY 1 1HA GLY 1 -6.002 1.660 -5.373 6 H ASN 2 H ASN 2 -4.901 0.132 -3.984 7 HA ASN 2 HA ASN 2 -5.805 0.117 -1.153 8 1HB ASN 2 2HB ASN 2 -4.225 -1.730 -2.912 9 2HB ASN 2 1HB ASN 2 -3.925 -1.754 -1.171 10 1HD2 ASN 2 1HD2 ASN 2 -5.673 -2.432 0.237 11 2HD2 ASN 2 2HD2 ASN 2 -7.038 -3.242 -0.367 12 H LEU 3 H LEU 3 -4.924 2.259 -0.868 13 HA LEU 3 HA LEU 3 -2.261 3.147 -1.286 14 1HB LEU 3 2HB LEU 3 -4.438 3.635 0.741 15 2HB LEU 3 1HB LEU 3 -2.835 4.295 1.068 16 HG LEU 3 HG LEU 3 -3.707 4.760 -1.688 17 1HD1 LEU 3 1HD1 LEU 3 -5.695 5.046 0.307 18 2HD1 LEU 3 2HD1 LEU 3 -5.752 5.638 -1.353 19 3HD1 LEU 3 3HD1 LEU 3 -5.133 6.675 -0.069 20 1HD2 LEU 3 1HD2 LEU 3 -1.776 5.801 -0.351 21 2HD2 LEU 3 2HD2 LEU 3 -3.007 6.754 0.477 22 3HD2 LEU 3 3HD2 LEU 3 -2.787 6.921 -1.265 23 H TRP 4 H TRP 4 -3.802 0.974 0.840 24 HA TRP 4 HA TRP 4 -2.349 0.204 2.941 25 1HB TRP 4 2HB TRP 4 -3.910 -0.883 0.791 26 2HB TRP 4 1HB TRP 4 -2.722 -2.043 1.270 27 HD1 TRP 4 HD1 TRP 4 -2.933 -3.005 3.719 28 HE1 TRP 4 HE1 TRP 4 -4.932 -2.942 5.388 29 HE3 TRP 4 HE3 TRP 4 -5.617 0.416 1.420 30 HZ2 TRP 4 HZ2 TRP 4 -7.463 -1.495 5.632 31 HZ3 TRP 4 HZ3 TRP 4 -7.851 1.209 2.292 32 HH2 TRP 4 HH2 TRP 4 -8.765 0.241 4.399 33 H ALA 5 H ALA 5 -1.759 -1.203 -0.187 34 HA ALA 5 HA ALA 5 0.832 -2.243 0.360 35 1HB ALA 5 1HB ALA 5 0.633 -2.791 -2.046 36 2HB ALA 5 2HB ALA 5 -0.693 -1.636 -2.189 37 3HB ALA 5 3HB ALA 5 -0.888 -3.085 -1.203 38 H THR 6 H THR 6 -0.242 0.893 -0.673 39 HA THR 6 HA THR 6 2.258 1.650 -1.998 40 HB THR 6 HB THR 6 -0.294 2.996 -1.106 41 HG1 THR 6 1HG THR 6 0.732 3.069 -3.688 42 1HG2 THR 6 1HG2 THR 6 2.259 4.236 -2.095 43 2HG2 THR 6 2HG2 THR 6 1.206 4.765 -0.783 44 3HG2 THR 6 3HG2 THR 6 0.704 4.983 -2.459 45 H GLY 7 H GLY 7 1.257 1.215 1.196 46 1HA GLY 7 2HA GLY 7 3.335 3.130 2.163 47 2HA GLY 7 1HA GLY 7 1.871 2.776 3.081 48 H HIS 8 H HIS 8 2.315 -0.111 1.929 49 HA HIS 8 HA HIS 8 3.850 -1.042 4.283 50 1HB HIS 8 2HB HIS 8 1.791 -2.164 3.837 51 2HB HIS 8 1HB HIS 8 2.161 -2.312 2.119 52 HD1 HIS 8 HD1 HIS 8 2.347 -4.159 5.229 53 HD2 HIS 8 HD2 HIS 8 4.558 -4.090 1.695 54 HE1 HIS 8 HE1 HIS 8 3.686 -6.309 5.179 55 H PHE 9 H PHE 9 4.209 -0.719 0.812 56 HA PHE 9 HA PHE 9 6.638 -2.424 0.773 57 1HB PHE 9 2HB PHE 9 4.866 -1.035 -1.228 58 2HB PHE 9 1HB PHE 9 6.447 -1.644 -1.717 59 HD1 PHE 9 HD1 PHE 9 3.131 -2.481 -1.775 60 HD2 PHE 9 HD2 PHE 9 6.886 -4.118 -0.484 61 HE1 PHE 9 HE1 PHE 9 2.194 -4.770 -1.952 62 HE2 PHE 9 HE2 PHE 9 5.950 -6.407 -0.660 63 HZ PHE 9 HZ PHE 9 3.602 -6.733 -1.394 64 H MET 10 H MET 10 5.668 0.965 0.499 65 HA MET 10 HA MET 10 8.536 1.765 0.229 66 1HB MET 10 2HB MET 10 6.345 2.473 -1.218 67 2HB MET 10 1HB MET 10 6.311 3.728 0.021 68 1HG MET 10 2HG MET 10 8.932 3.801 -0.570 69 2HG MET 10 1HG MET 10 8.317 3.236 -2.124 70 1HE MET 10 1HE MET 10 9.309 6.000 -0.113 71 2HE MET 10 2HE MET 10 7.760 5.937 0.724 72 3HE MET 10 3HE MET 10 8.156 7.330 -0.280 73 1HN NH2 11 1HN NH2 11 5.774 1.777 2.368 74 2HN NH2 11 2HN NH2 11 6.458 2.716 3.595 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -9.074 -1.818 -4.409 2 2H GLY 1 2H GLY 1 -9.250 -1.149 -5.961 3 3H GLY 1 3H GLY 1 -9.660 -0.236 -4.588 4 1HA GLY 1 2HA GLY 1 -6.961 -1.046 -5.501 5 2HA GLY 1 1HA GLY 1 -7.586 0.589 -5.282 6 H ASN 2 H ASN 2 -5.444 -1.347 -3.922 7 HA ASN 2 HA ASN 2 -6.227 -0.764 -1.115 8 1HB ASN 2 2HB ASN 2 -4.534 -2.824 -2.486 9 2HB ASN 2 1HB ASN 2 -4.160 -2.396 -0.813 10 1HD2 ASN 2 1HD2 ASN 2 -5.748 -2.895 0.830 11 2HD2 ASN 2 2HD2 ASN 2 -7.050 -3.943 0.528 12 H LEU 3 H LEU 3 -5.573 1.456 -1.401 13 HA LEU 3 HA LEU 3 -3.035 2.460 -2.185 14 1HB LEU 3 2HB LEU 3 -5.292 3.247 -0.425 15 2HB LEU 3 1HB LEU 3 -3.746 3.969 0.026 16 HG LEU 3 HG LEU 3 -3.962 4.120 -2.810 17 1HD1 LEU 3 1HD1 LEU 3 -6.099 4.674 -3.278 18 2HD1 LEU 3 2HD1 LEU 3 -6.180 5.775 -1.904 19 3HD1 LEU 3 3HD1 LEU 3 -6.520 4.059 -1.679 20 1HD2 LEU 3 1HD2 LEU 3 -4.159 6.175 -0.587 21 2HD2 LEU 3 2HD2 LEU 3 -3.957 6.582 -2.291 22 3HD2 LEU 3 3HD2 LEU 3 -2.698 5.683 -1.444 23 H TRP 4 H TRP 4 -4.261 0.739 0.486 24 HA TRP 4 HA TRP 4 -2.669 0.654 2.628 25 1HB TRP 4 2HB TRP 4 -4.153 -1.082 0.869 26 2HB TRP 4 1HB TRP 4 -2.862 -1.961 1.608 27 HD1 TRP 4 HD1 TRP 4 -3.014 -2.332 4.195 28 HE1 TRP 4 HE1 TRP 4 -4.991 -1.973 5.856 29 HE3 TRP 4 HE3 TRP 4 -5.931 0.288 1.213 30 HZ2 TRP 4 HZ2 TRP 4 -7.598 -0.645 5.814 31 HZ3 TRP 4 HZ3 TRP 4 -8.194 1.147 1.934 32 HH2 TRP 4 HH2 TRP 4 -9.017 0.670 4.238 33 H ALA 5 H ALA 5 -2.013 -1.497 -0.030 34 HA ALA 5 HA ALA 5 0.541 -2.334 0.496 35 1HB ALA 5 1HB ALA 5 0.292 -3.217 -1.628 36 2HB ALA 5 2HB ALA 5 -0.255 -1.683 -2.304 37 3HB ALA 5 3HB ALA 5 -1.363 -2.675 -1.357 38 H THR 6 H THR 6 -0.418 0.823 -0.656 39 HA THR 6 HA THR 6 2.146 1.602 -1.764 40 HB THR 6 HB THR 6 0.066 3.456 -0.634 41 HG1 THR 6 1HG THR 6 -0.219 1.562 -2.664 42 1HG2 THR 6 1HG2 THR 6 0.557 4.518 -2.930 43 2HG2 THR 6 2HG2 THR 6 1.913 3.393 -3.013 44 3HG2 THR 6 3HG2 THR 6 1.834 4.586 -1.715 45 H GLY 7 H GLY 7 0.970 1.089 1.381 46 1HA GLY 7 2HA GLY 7 3.005 2.940 2.523 47 2HA GLY 7 1HA GLY 7 1.572 2.400 3.395 48 H HIS 8 H HIS 8 2.294 -0.306 1.898 49 HA HIS 8 HA HIS 8 3.811 -1.385 4.198 50 1HB HIS 8 2HB HIS 8 1.881 -2.613 3.504 51 2HB HIS 8 1HB HIS 8 2.350 -2.524 1.807 52 HD1 HIS 8 HD1 HIS 8 2.329 -4.855 4.473 53 HD2 HIS 8 HD2 HIS 8 5.138 -3.876 1.553 54 HE1 HIS 8 HE1 HIS 8 3.919 -6.821 4.321 55 H PHE 9 H PHE 9 4.176 -0.951 0.698 56 HA PHE 9 HA PHE 9 6.888 -2.159 0.769 57 1HB PHE 9 2HB PHE 9 4.903 -1.276 -1.313 58 2HB PHE 9 1HB PHE 9 6.585 -1.548 -1.766 59 HD1 PHE 9 HD1 PHE 9 7.439 -3.791 -0.169 60 HD2 PHE 9 HD2 PHE 9 3.630 -3.102 -2.033 61 HE1 PHE 9 HE1 PHE 9 7.028 -6.236 -0.233 62 HE2 PHE 9 HE2 PHE 9 3.219 -5.547 -2.097 63 HZ PHE 9 HZ PHE 9 4.917 -7.114 -1.197 64 H MET 10 H MET 10 5.280 0.955 0.313 65 HA MET 10 HA MET 10 7.940 2.285 0.006 66 1HB MET 10 2HB MET 10 5.278 2.593 -1.111 67 2HB MET 10 1HB MET 10 5.811 4.101 -0.367 68 1HG MET 10 2HG MET 10 7.135 4.494 -2.141 69 2HG MET 10 1HG MET 10 8.035 3.021 -1.780 70 1HE MET 10 1HE MET 10 7.816 3.163 -5.294 71 2HE MET 10 2HE MET 10 8.093 1.531 -4.692 72 3HE MET 10 3HE MET 10 8.723 2.912 -3.796 73 1HN NH2 11 1HN NH2 11 5.180 1.889 2.121 74 2HN NH2 11 2HN NH2 11 5.663 2.996 3.306 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -7.664 -0.257 -6.171 2 2H GLY 1 2H GLY 1 -7.140 0.497 -4.742 3 3H GLY 1 3H GLY 1 -8.801 0.325 -5.055 4 1HA GLY 1 2HA GLY 1 -8.872 -1.808 -4.390 5 2HA GLY 1 1HA GLY 1 -7.260 -2.137 -5.028 6 H ASN 2 H ASN 2 -5.597 -2.204 -3.571 7 HA ASN 2 HA ASN 2 -6.175 -1.335 -0.788 8 1HB ASN 2 2HB ASN 2 -4.531 -3.494 -2.063 9 2HB ASN 2 1HB ASN 2 -4.044 -2.880 -0.480 10 1HD2 ASN 2 1HD2 ASN 2 -5.495 -3.222 1.326 11 2HD2 ASN 2 2HD2 ASN 2 -6.781 -4.329 1.241 12 H LEU 3 H LEU 3 -5.615 0.856 -1.374 13 HA LEU 3 HA LEU 3 -3.168 1.817 -2.452 14 1HB LEU 3 2HB LEU 3 -5.257 2.755 -0.523 15 2HB LEU 3 1HB LEU 3 -3.718 3.618 -0.488 16 HG LEU 3 HG LEU 3 -4.149 3.463 -3.175 17 1HD1 LEU 3 1HD1 LEU 3 -6.291 2.792 -3.503 18 2HD1 LEU 3 2HD1 LEU 3 -6.731 4.409 -2.955 19 3HD1 LEU 3 3HD1 LEU 3 -6.725 3.064 -1.816 20 1HD2 LEU 3 1HD2 LEU 3 -5.110 5.830 -2.874 21 2HD2 LEU 3 2HD2 LEU 3 -3.537 5.520 -2.139 22 3HD2 LEU 3 3HD2 LEU 3 -4.990 5.536 -1.139 23 H TRP 4 H TRP 4 -4.151 0.384 0.476 24 HA TRP 4 HA TRP 4 -2.418 0.580 2.496 25 1HB TRP 4 2HB TRP 4 -3.954 -1.381 1.045 26 2HB TRP 4 1HB TRP 4 -2.582 -2.136 1.776 27 HD1 TRP 4 HD1 TRP 4 -2.541 -2.236 4.390 28 HE1 TRP 4 HE1 TRP 4 -4.407 -1.757 6.146 29 HE3 TRP 4 HE3 TRP 4 -5.751 -0.029 1.375 30 HZ2 TRP 4 HZ2 TRP 4 -7.056 -0.515 6.157 31 HZ3 TRP 4 HZ3 TRP 4 -7.986 0.838 2.167 32 HH2 TRP 4 HH2 TRP 4 -8.629 0.584 4.562 33 H ALA 5 H ALA 5 -1.863 -1.821 0.037 34 HA ALA 5 HA ALA 5 0.737 -2.548 0.463 35 1HB ALA 5 1HB ALA 5 0.386 -2.600 -2.283 36 2HB ALA 5 2HB ALA 5 -1.264 -2.458 -1.679 37 3HB ALA 5 3HB ALA 5 -0.248 -3.801 -1.158 38 H THR 6 H THR 6 -0.366 0.477 -0.910 39 HA THR 6 HA THR 6 2.123 1.198 -2.215 40 HB THR 6 HB THR 6 0.048 3.109 -1.168 41 HG1 THR 6 1HG THR 6 -1.031 2.457 -3.256 42 1HG2 THR 6 1HG2 THR 6 1.726 4.175 -2.432 43 2HG2 THR 6 2HG2 THR 6 0.410 3.947 -3.583 44 3HG2 THR 6 3HG2 THR 6 1.799 2.859 -3.604 45 H GLY 7 H GLY 7 1.110 0.952 1.015 46 1HA GLY 7 2HA GLY 7 3.284 2.807 1.863 47 2HA GLY 7 1HA GLY 7 1.792 2.635 2.783 48 H HIS 8 H HIS 8 2.156 -0.375 1.792 49 HA HIS 8 HA HIS 8 3.326 -1.280 4.320 50 1HB HIS 8 2HB HIS 8 1.458 -2.480 3.448 51 2HB HIS 8 1HB HIS 8 2.176 -2.572 1.839 52 HD1 HIS 8 HD1 HIS 8 1.878 -4.432 4.960 53 HD2 HIS 8 HD2 HIS 8 4.617 -4.292 1.820 54 HE1 HIS 8 HE1 HIS 8 3.276 -6.536 5.134 55 H PHE 9 H PHE 9 4.389 -0.897 0.999 56 HA PHE 9 HA PHE 9 6.690 -2.649 1.153 57 1HB PHE 9 2HB PHE 9 5.794 -0.368 -0.616 58 2HB PHE 9 1HB PHE 9 7.317 -1.212 -0.895 59 HD1 PHE 9 HD1 PHE 9 4.338 -1.070 -2.326 60 HD2 PHE 9 HD2 PHE 9 6.665 -3.982 -0.191 61 HE1 PHE 9 HE1 PHE 9 3.117 -2.893 -3.482 62 HE2 PHE 9 HE2 PHE 9 5.444 -5.805 -1.349 63 HZ PHE 9 HZ PHE 9 3.671 -5.260 -2.994 64 H MET 10 H MET 10 6.163 0.815 1.720 65 HA MET 10 HA MET 10 9.011 1.087 2.586 66 1HB MET 10 2HB MET 10 7.468 2.565 0.861 67 2HB MET 10 1HB MET 10 7.252 3.457 2.367 68 1HG MET 10 2HG MET 10 9.200 4.311 1.120 69 2HG MET 10 1HG MET 10 9.703 3.583 2.644 70 1HE MET 10 1HE MET 10 12.417 2.037 1.961 71 2HE MET 10 2HE MET 10 11.339 0.687 2.303 72 3HE MET 10 3HE MET 10 11.047 2.250 3.060 73 1HN NH2 11 1HN NH2 11 5.677 1.154 3.669 74 2HN NH2 11 2HN NH2 11 5.991 1.562 5.279 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -5.712 3.256 -4.505 2 2H GLY 1 2H GLY 1 -7.287 3.829 -4.221 3 3H GLY 1 3H GLY 1 -6.806 3.400 -5.794 4 1HA GLY 1 2HA GLY 1 -8.252 1.737 -4.616 5 2HA GLY 1 1HA GLY 1 -6.742 1.118 -5.284 6 H ASN 2 H ASN 2 -5.139 0.396 -3.860 7 HA ASN 2 HA ASN 2 -5.935 0.267 -1.000 8 1HB ASN 2 2HB ASN 2 -4.419 -1.503 -2.887 9 2HB ASN 2 1HB ASN 2 -4.051 -1.591 -1.160 10 1HD2 ASN 2 1HD2 ASN 2 -5.729 -2.346 0.284 11 2HD2 ASN 2 2HD2 ASN 2 -7.119 -3.132 -0.294 12 H LEU 3 H LEU 3 -5.055 2.400 -0.662 13 HA LEU 3 HA LEU 3 -2.413 3.318 -1.145 14 1HB LEU 3 2HB LEU 3 -4.539 3.730 0.941 15 2HB LEU 3 1HB LEU 3 -2.924 4.345 1.296 16 HG LEU 3 HG LEU 3 -4.373 4.954 -1.289 17 1HD1 LEU 3 1HD1 LEU 3 -5.680 5.825 0.616 18 2HD1 LEU 3 2HD1 LEU 3 -4.925 7.140 -0.284 19 3HD1 LEU 3 3HD1 LEU 3 -4.234 6.611 1.250 20 1HD2 LEU 3 1HD2 LEU 3 -2.682 6.989 -0.914 21 2HD2 LEU 3 2HD2 LEU 3 -2.152 5.484 -1.666 22 3HD2 LEU 3 3HD2 LEU 3 -1.825 5.779 0.042 23 H TRP 4 H TRP 4 -3.865 1.056 0.949 24 HA TRP 4 HA TRP 4 -2.335 0.216 2.968 25 1HB TRP 4 2HB TRP 4 -3.962 -0.798 0.832 26 2HB TRP 4 1HB TRP 4 -2.751 -1.968 1.224 27 HD1 TRP 4 HD1 TRP 4 -2.874 -3.028 3.638 28 HE1 TRP 4 HE1 TRP 4 -4.815 -3.046 5.374 29 HE3 TRP 4 HE3 TRP 4 -5.652 0.466 1.570 30 HZ2 TRP 4 HZ2 TRP 4 -7.345 -1.625 5.761 31 HZ3 TRP 4 HZ3 TRP 4 -7.860 1.208 2.548 32 HH2 TRP 4 HH2 TRP 4 -8.697 0.150 4.645 33 H ALA 5 H ALA 5 -1.844 -1.059 -0.232 34 HA ALA 5 HA ALA 5 0.767 -2.109 0.187 35 1HB ALA 5 1HB ALA 5 -0.671 -3.101 -1.384 36 2HB ALA 5 2HB ALA 5 0.458 -2.218 -2.414 37 3HB ALA 5 3HB ALA 5 -1.137 -1.545 -2.070 38 H THR 6 H THR 6 -0.342 1.064 -0.671 39 HA THR 6 HA THR 6 2.107 1.882 -2.053 40 HB THR 6 HB THR 6 -0.415 3.181 -1.020 41 HG1 THR 6 1HG THR 6 -0.633 2.140 -2.955 42 1HG2 THR 6 1HG2 THR 6 1.994 4.525 -2.262 43 2HG2 THR 6 2HG2 THR 6 1.319 4.831 -0.663 44 3HG2 THR 6 3HG2 THR 6 0.409 5.284 -2.105 45 H GLY 7 H GLY 7 1.229 1.305 1.151 46 1HA GLY 7 2HA GLY 7 3.384 3.132 2.111 47 2HA GLY 7 1HA GLY 7 1.916 2.861 3.048 48 H HIS 8 H HIS 8 2.326 -0.047 1.755 49 HA HIS 8 HA HIS 8 3.691 -1.095 4.161 50 1HB HIS 8 2HB HIS 8 1.620 -2.123 3.476 51 2HB HIS 8 1HB HIS 8 2.196 -2.303 1.818 52 HD1 HIS 8 HD1 HIS 8 1.969 -4.103 4.959 53 HD2 HIS 8 HD2 HIS 8 4.574 -4.145 1.705 54 HE1 HIS 8 HE1 HIS 8 3.250 -6.283 5.095 55 H PHE 9 H PHE 9 4.185 -0.872 0.668 56 HA PHE 9 HA PHE 9 6.707 -2.427 0.851 57 1HB PHE 9 2HB PHE 9 4.884 -1.385 -1.295 58 2HB PHE 9 1HB PHE 9 6.540 -1.822 -1.716 59 HD1 PHE 9 HD1 PHE 9 3.232 -3.049 -1.072 60 HD2 PHE 9 HD2 PHE 9 7.381 -4.156 -1.001 61 HE1 PHE 9 HE1 PHE 9 2.593 -5.445 -1.103 62 HE2 PHE 9 HE2 PHE 9 6.743 -6.552 -1.032 63 HZ PHE 9 HZ PHE 9 4.348 -7.197 -1.083 64 H MET 10 H MET 10 5.569 0.832 -0.012 65 HA MET 10 HA MET 10 8.398 1.784 -0.049 66 1HB MET 10 2HB MET 10 7.268 3.761 -1.181 67 2HB MET 10 1HB MET 10 7.142 2.243 -2.064 68 1HG MET 10 2HG MET 10 4.971 2.596 -0.139 69 2HG MET 10 1HG MET 10 5.018 3.885 -1.341 70 1HE MET 10 1HE MET 10 3.268 2.652 -4.128 71 2HE MET 10 2HE MET 10 4.930 3.234 -4.207 72 3HE MET 10 3HE MET 10 3.821 3.917 -3.021 73 1HN NH2 11 1HN NH2 11 5.321 2.021 1.630 74 2HN NH2 11 2HN NH2 11 5.805 3.162 2.781 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -9.180 0.751 -5.239 2 2H GLY 1 2H GLY 1 -9.460 -0.387 -4.008 3 3H GLY 1 3H GLY 1 -9.498 -0.866 -5.638 4 1HA GLY 1 2HA GLY 1 -7.398 -1.514 -5.318 5 2HA GLY 1 1HA GLY 1 -7.038 0.207 -5.454 6 H ASN 2 H ASN 2 -5.440 -1.482 -3.877 7 HA ASN 2 HA ASN 2 -6.226 -0.813 -1.090 8 1HB ASN 2 2HB ASN 2 -4.567 -2.940 -2.400 9 2HB ASN 2 1HB ASN 2 -4.191 -2.478 -0.736 10 1HD2 ASN 2 1HD2 ASN 2 -5.801 -2.897 0.910 11 2HD2 ASN 2 2HD2 ASN 2 -7.120 -3.930 0.628 12 H LEU 3 H LEU 3 -5.528 1.385 -1.427 13 HA LEU 3 HA LEU 3 -2.968 2.323 -2.225 14 1HB LEU 3 2HB LEU 3 -5.234 3.202 -0.540 15 2HB LEU 3 1HB LEU 3 -3.686 3.871 -0.022 16 HG LEU 3 HG LEU 3 -4.089 3.927 -2.936 17 1HD1 LEU 3 1HD1 LEU 3 -6.074 4.985 -3.034 18 2HD1 LEU 3 2HD1 LEU 3 -5.546 6.161 -1.831 19 3HD1 LEU 3 3HD1 LEU 3 -6.294 4.649 -1.317 20 1HD2 LEU 3 1HD2 LEU 3 -2.885 5.905 -2.746 21 2HD2 LEU 3 2HD2 LEU 3 -2.346 5.073 -1.288 22 3HD2 LEU 3 3HD2 LEU 3 -3.598 6.310 -1.185 23 H TRP 4 H TRP 4 -4.235 0.692 0.482 24 HA TRP 4 HA TRP 4 -2.653 0.630 2.631 25 1HB TRP 4 2HB TRP 4 -4.163 -1.122 0.911 26 2HB TRP 4 1HB TRP 4 -2.892 -2.006 1.677 27 HD1 TRP 4 HD1 TRP 4 -3.059 -2.308 4.273 28 HE1 TRP 4 HE1 TRP 4 -5.036 -1.869 5.915 29 HE3 TRP 4 HE3 TRP 4 -5.917 0.287 1.212 30 HZ2 TRP 4 HZ2 TRP 4 -7.618 -0.498 5.827 31 HZ3 TRP 4 HZ3 TRP 4 -8.166 1.204 1.901 32 HH2 TRP 4 HH2 TRP 4 -9.007 0.801 4.212 33 H ALA 5 H ALA 5 -2.027 -1.604 0.036 34 HA ALA 5 HA ALA 5 0.521 -2.456 0.605 35 1HB ALA 5 1HB ALA 5 0.468 -2.694 -2.020 36 2HB ALA 5 2HB ALA 5 -1.150 -2.011 -1.849 37 3HB ALA 5 3HB ALA 5 -0.745 -3.529 -1.046 38 H THR 6 H THR 6 -0.409 0.658 -0.665 39 HA THR 6 HA THR 6 2.154 1.356 -1.836 40 HB THR 6 HB THR 6 0.110 3.288 -0.777 41 HG1 THR 6 1HG THR 6 -0.197 1.730 -3.123 42 1HG2 THR 6 1HG2 THR 6 1.430 3.175 -3.484 43 2HG2 THR 6 2HG2 THR 6 2.234 3.893 -2.088 44 3HG2 THR 6 3HG2 THR 6 0.713 4.568 -2.674 45 H GLY 7 H GLY 7 1.000 0.998 1.338 46 1HA GLY 7 2HA GLY 7 3.065 2.877 2.378 47 2HA GLY 7 1HA GLY 7 1.631 2.399 3.284 48 H HIS 8 H HIS 8 2.333 -0.380 1.891 49 HA HIS 8 HA HIS 8 3.824 -1.380 4.244 50 1HB HIS 8 2HB HIS 8 1.882 -2.610 3.570 51 2HB HIS 8 1HB HIS 8 2.387 -2.609 1.879 52 HD1 HIS 8 HD1 HIS 8 2.311 -4.789 4.683 53 HD2 HIS 8 HD2 HIS 8 5.140 -4.015 1.720 54 HE1 HIS 8 HE1 HIS 8 3.878 -6.779 4.651 55 H PHE 9 H PHE 9 4.341 -0.719 0.842 56 HA PHE 9 HA PHE 9 6.906 -2.215 0.815 57 1HB PHE 9 2HB PHE 9 5.120 -0.832 -1.174 58 2HB PHE 9 1HB PHE 9 6.779 -1.235 -1.616 59 HD1 PHE 9 HD1 PHE 9 3.544 -2.399 -1.852 60 HD2 PHE 9 HD2 PHE 9 7.445 -3.742 -0.654 61 HE1 PHE 9 HE1 PHE 9 2.865 -4.747 -2.271 62 HE2 PHE 9 HE2 PHE 9 6.764 -6.090 -1.073 63 HZ PHE 9 HZ PHE 9 4.474 -6.592 -1.881 64 H MET 10 H MET 10 5.664 1.096 0.749 65 HA MET 10 HA MET 10 8.466 2.142 0.716 66 1HB MET 10 2HB MET 10 6.444 2.800 -0.883 67 2HB MET 10 1HB MET 10 5.993 3.827 0.480 68 1HG MET 10 2HG MET 10 8.151 4.934 0.433 69 2HG MET 10 1HG MET 10 8.738 3.822 -0.804 70 1HE MET 10 1HE MET 10 8.728 7.259 -1.652 71 2HE MET 10 2HE MET 10 8.818 6.389 -3.182 72 3HE MET 10 3HE MET 10 9.574 5.707 -1.744 73 1HN NH2 11 1HN NH2 11 5.584 1.781 2.666 74 2HN NH2 11 2HN NH2 11 6.126 2.659 4.006 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -9.288 0.355 -5.624 2 2H GLY 1 2H GLY 1 -9.289 -0.134 -3.997 3 3H GLY 1 3H GLY 1 -9.169 -1.292 -5.233 4 1HA GLY 1 2HA GLY 1 -6.979 -1.014 -5.484 5 2HA GLY 1 1HA GLY 1 -7.120 0.736 -5.322 6 H ASN 2 H ASN 2 -5.219 -1.131 -3.992 7 HA ASN 2 HA ASN 2 -6.011 -0.769 -1.151 8 1HB ASN 2 2HB ASN 2 -4.257 -2.673 -2.664 9 2HB ASN 2 1HB ASN 2 -3.885 -2.345 -0.968 10 1HD2 ASN 2 1HD2 ASN 2 -5.441 -3.007 0.647 11 2HD2 ASN 2 2HD2 ASN 2 -6.711 -4.076 0.281 12 H LEU 3 H LEU 3 -5.435 1.488 -1.288 13 HA LEU 3 HA LEU 3 -2.951 2.646 -2.006 14 1HB LEU 3 2HB LEU 3 -5.027 3.149 0.142 15 2HB LEU 3 1HB LEU 3 -3.581 4.152 0.059 16 HG LEU 3 HG LEU 3 -5.632 5.015 -1.209 17 1HD1 LEU 3 1HD1 LEU 3 -3.447 5.944 -1.659 18 2HD1 LEU 3 2HD1 LEU 3 -4.229 5.646 -3.212 19 3HD1 LEU 3 3HD1 LEU 3 -2.993 4.536 -2.619 20 1HD2 LEU 3 1HD2 LEU 3 -6.348 2.870 -2.161 21 2HD2 LEU 3 2HD2 LEU 3 -4.821 2.727 -3.032 22 3HD2 LEU 3 3HD2 LEU 3 -5.962 4.003 -3.457 23 H TRP 4 H TRP 4 -4.080 0.696 0.546 24 HA TRP 4 HA TRP 4 -2.458 0.511 2.655 25 1HB TRP 4 2HB TRP 4 -3.913 -1.146 0.800 26 2HB TRP 4 1HB TRP 4 -2.584 -2.033 1.460 27 HD1 TRP 4 HD1 TRP 4 -2.682 -2.574 4.023 28 HE1 TRP 4 HE1 TRP 4 -4.648 -2.398 5.725 29 HE3 TRP 4 HE3 TRP 4 -5.733 0.123 1.253 30 HZ2 TRP 4 HZ2 TRP 4 -7.303 -1.170 5.800 31 HZ3 TRP 4 HZ3 TRP 4 -8.016 0.847 2.052 32 HH2 TRP 4 HH2 TRP 4 -8.790 0.190 4.329 33 H ALA 5 H ALA 5 -1.772 -1.436 -0.149 34 HA ALA 5 HA ALA 5 0.840 -2.187 0.322 35 1HB ALA 5 1HB ALA 5 0.745 -2.348 -2.273 36 2HB ALA 5 2HB ALA 5 -0.866 -1.649 -2.103 37 3HB ALA 5 3HB ALA 5 -0.493 -3.199 -1.348 38 H THR 6 H THR 6 -0.301 0.948 -0.669 39 HA THR 6 HA THR 6 2.172 1.866 -1.891 40 HB THR 6 HB THR 6 0.054 3.595 -0.638 41 HG1 THR 6 1HG THR 6 -1.031 3.173 -2.763 42 1HG2 THR 6 1HG2 THR 6 0.866 5.149 -2.053 43 2HG2 THR 6 2HG2 THR 6 0.839 4.027 -3.416 44 3HG2 THR 6 3HG2 THR 6 2.216 4.044 -2.313 45 H GLY 7 H GLY 7 1.170 1.223 1.286 46 1HA GLY 7 2HA GLY 7 3.263 3.060 2.354 47 2HA GLY 7 1HA GLY 7 1.800 2.666 3.255 48 H HIS 8 H HIS 8 2.298 -0.150 1.885 49 HA HIS 8 HA HIS 8 3.758 -1.233 4.218 50 1HB HIS 8 2HB HIS 8 1.691 -2.290 3.541 51 2HB HIS 8 1HB HIS 8 2.252 -2.426 1.874 52 HD1 HIS 8 HD1 HIS 8 1.925 -4.411 4.813 53 HD2 HIS 8 HD2 HIS 8 4.860 -4.075 1.872 54 HE1 HIS 8 HE1 HIS 8 3.315 -6.523 4.944 55 H PHE 9 H PHE 9 4.166 -0.846 0.732 56 HA PHE 9 HA PHE 9 6.718 -2.365 0.779 57 1HB PHE 9 2HB PHE 9 4.859 -1.209 -1.286 58 2HB PHE 9 1HB PHE 9 6.499 -1.667 -1.743 59 HD1 PHE 9 HD1 PHE 9 3.199 -2.831 -1.463 60 HD2 PHE 9 HD2 PHE 9 7.260 -4.055 -0.779 61 HE1 PHE 9 HE1 PHE 9 2.503 -5.209 -1.582 62 HE2 PHE 9 HE2 PHE 9 6.563 -6.433 -0.898 63 HZ PHE 9 HZ PHE 9 4.184 -7.009 -1.300 64 H MET 10 H MET 10 5.490 0.927 0.386 65 HA MET 10 HA MET 10 8.292 1.937 0.115 66 1HB MET 10 2HB MET 10 5.805 2.500 -1.147 67 2HB MET 10 1HB MET 10 6.216 3.920 -0.184 68 1HG MET 10 2HG MET 10 8.317 4.182 -1.282 69 2HG MET 10 1HG MET 10 8.214 2.581 -2.015 70 1HE MET 10 1HE MET 10 6.935 6.549 -3.323 71 2HE MET 10 2HE MET 10 7.399 5.993 -1.716 72 3HE MET 10 3HE MET 10 5.696 6.044 -2.165 73 1HN NH2 11 1HN NH2 11 5.491 1.832 2.211 74 2HN NH2 11 2HN NH2 11 6.096 2.848 3.420 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -8.957 0.367 -4.000 2 2H GLY 1 2H GLY 1 -8.820 0.738 -5.651 3 3H GLY 1 3H GLY 1 -9.427 1.895 -4.566 4 1HA GLY 1 2HA GLY 1 -6.700 1.210 -5.200 5 2HA GLY 1 1HA GLY 1 -7.359 2.704 -4.534 6 H ASN 2 H ASN 2 -5.337 0.232 -3.782 7 HA ASN 2 HA ASN 2 -6.046 0.230 -0.896 8 1HB ASN 2 2HB ASN 2 -4.624 -1.642 -2.759 9 2HB ASN 2 1HB ASN 2 -4.203 -1.672 -1.043 10 1HD2 ASN 2 1HD2 ASN 2 -5.843 -2.349 0.480 11 2HD2 ASN 2 2HD2 ASN 2 -7.268 -3.124 -0.025 12 H LEU 3 H LEU 3 -5.114 2.356 -0.672 13 HA LEU 3 HA LEU 3 -2.469 3.197 -1.270 14 1HB LEU 3 2HB LEU 3 -4.505 3.730 0.886 15 2HB LEU 3 1HB LEU 3 -2.870 4.353 1.121 16 HG LEU 3 HG LEU 3 -3.379 5.048 -1.495 17 1HD1 LEU 3 1HD1 LEU 3 -5.939 5.058 0.097 18 2HD1 LEU 3 2HD1 LEU 3 -5.674 4.537 -1.568 19 3HD1 LEU 3 3HD1 LEU 3 -5.666 6.255 -1.170 20 1HD2 LEU 3 1HD2 LEU 3 -4.046 6.728 0.942 21 2HD2 LEU 3 2HD2 LEU 3 -3.524 7.312 -0.638 22 3HD2 LEU 3 3HD2 LEU 3 -2.402 6.415 0.386 23 H TRP 4 H TRP 4 -3.903 1.053 0.957 24 HA TRP 4 HA TRP 4 -2.332 0.262 2.962 25 1HB TRP 4 2HB TRP 4 -4.041 -0.803 0.913 26 2HB TRP 4 1HB TRP 4 -2.847 -1.983 1.329 27 HD1 TRP 4 HD1 TRP 4 -2.941 -2.942 3.781 28 HE1 TRP 4 HE1 TRP 4 -4.833 -2.830 5.568 29 HE3 TRP 4 HE3 TRP 4 -5.674 0.546 1.644 30 HZ2 TRP 4 HZ2 TRP 4 -7.309 -1.320 5.962 31 HZ3 TRP 4 HZ3 TRP 4 -7.831 1.394 2.648 32 HH2 TRP 4 HH2 TRP 4 -8.639 0.447 4.808 33 H ALA 5 H ALA 5 -1.962 -1.173 -0.186 34 HA ALA 5 HA ALA 5 0.621 -2.274 0.186 35 1HB ALA 5 1HB ALA 5 -1.288 -1.662 -2.056 36 2HB ALA 5 2HB ALA 5 -0.887 -3.227 -1.350 37 3HB ALA 5 3HB ALA 5 0.270 -2.412 -2.403 38 H THR 6 H THR 6 -0.416 0.908 -0.777 39 HA THR 6 HA THR 6 2.077 1.624 -2.136 40 HB THR 6 HB THR 6 -0.432 3.015 -1.199 41 HG1 THR 6 1HG THR 6 -0.922 2.935 -3.273 42 1HG2 THR 6 1HG2 THR 6 1.231 4.692 -0.883 43 2HG2 THR 6 2HG2 THR 6 0.507 5.025 -2.457 44 3HG2 THR 6 3HG2 THR 6 2.078 4.228 -2.359 45 H GLY 7 H GLY 7 1.138 1.165 1.063 46 1HA GLY 7 2HA GLY 7 3.287 3.010 2.008 47 2HA GLY 7 1HA GLY 7 1.804 2.761 2.929 48 H HIS 8 H HIS 8 2.252 -0.172 1.691 49 HA HIS 8 HA HIS 8 3.499 -1.198 4.157 50 1HB HIS 8 2HB HIS 8 1.535 -2.301 3.322 51 2HB HIS 8 1HB HIS 8 2.211 -2.408 1.698 52 HD1 HIS 8 HD1 HIS 8 1.767 -4.387 4.658 53 HD2 HIS 8 HD2 HIS 8 4.767 -4.079 1.779 54 HE1 HIS 8 HE1 HIS 8 3.152 -6.500 4.837 55 H PHE 9 H PHE 9 4.316 -0.773 0.763 56 HA PHE 9 HA PHE 9 6.809 -2.359 1.060 57 1HB PHE 9 2HB PHE 9 5.236 -1.089 -1.170 58 2HB PHE 9 1HB PHE 9 6.909 -1.576 -1.444 59 HD1 PHE 9 HD1 PHE 9 3.724 -2.662 -1.978 60 HD2 PHE 9 HD2 PHE 9 7.344 -4.011 -0.102 61 HE1 PHE 9 HE1 PHE 9 2.994 -5.015 -2.262 62 HE2 PHE 9 HE2 PHE 9 6.615 -6.364 -0.385 63 HZ PHE 9 HZ PHE 9 4.439 -6.866 -1.464 64 H MET 10 H MET 10 5.709 0.973 0.639 65 HA MET 10 HA MET 10 8.543 1.922 0.740 66 1HB MET 10 2HB MET 10 7.236 2.687 -1.168 67 2HB MET 10 1HB MET 10 5.919 3.195 -0.109 68 1HG MET 10 2HG MET 10 7.241 4.950 0.843 69 2HG MET 10 1HG MET 10 8.717 4.328 0.104 70 1HE MET 10 1HE MET 10 6.003 7.355 -0.877 71 2HE MET 10 2HE MET 10 7.714 7.768 -0.950 72 3HE MET 10 3HE MET 10 7.091 6.869 0.431 73 1HN NH2 11 1HN NH2 11 5.508 1.817 2.482 74 2HN NH2 11 2HN NH2 11 5.984 2.778 3.790 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -6.474 0.863 -6.393 2 2H GLY 1 2H GLY 1 -6.821 1.564 -4.886 3 3H GLY 1 3H GLY 1 -8.071 1.279 -6.001 4 1HA GLY 1 2HA GLY 1 -8.425 -0.705 -5.122 5 2HA GLY 1 1HA GLY 1 -6.781 -1.156 -5.577 6 H ASN 2 H ASN 2 -5.294 -1.417 -3.947 7 HA ASN 2 HA ASN 2 -6.178 -0.748 -1.190 8 1HB ASN 2 2HB ASN 2 -4.499 -2.894 -2.445 9 2HB ASN 2 1HB ASN 2 -4.183 -2.444 -0.766 10 1HD2 ASN 2 1HD2 ASN 2 -5.852 -2.861 0.816 11 2HD2 ASN 2 2HD2 ASN 2 -7.177 -3.868 0.476 12 H LEU 3 H LEU 3 -5.435 1.441 -1.489 13 HA LEU 3 HA LEU 3 -2.832 2.344 -2.179 14 1HB LEU 3 2HB LEU 3 -5.041 3.221 -0.330 15 2HB LEU 3 1HB LEU 3 -3.480 4.028 -0.186 16 HG LEU 3 HG LEU 3 -3.869 3.979 -2.917 17 1HD1 LEU 3 1HD1 LEU 3 -6.113 4.527 -3.417 18 2HD1 LEU 3 2HD1 LEU 3 -6.509 4.823 -1.724 19 3HD1 LEU 3 3HD1 LEU 3 -6.250 3.173 -2.295 20 1HD2 LEU 3 1HD2 LEU 3 -4.572 6.420 -2.525 21 2HD2 LEU 3 2HD2 LEU 3 -3.040 5.921 -1.808 22 3HD2 LEU 3 3HD2 LEU 3 -4.483 6.053 -0.803 23 H TRP 4 H TRP 4 -4.229 0.719 0.467 24 HA TRP 4 HA TRP 4 -2.731 0.620 2.674 25 1HB TRP 4 2HB TRP 4 -4.206 -1.098 0.891 26 2HB TRP 4 1HB TRP 4 -2.978 -2.007 1.698 27 HD1 TRP 4 HD1 TRP 4 -3.239 -2.310 4.287 28 HE1 TRP 4 HE1 TRP 4 -5.268 -1.851 5.858 29 HE3 TRP 4 HE3 TRP 4 -5.951 0.327 1.133 30 HZ2 TRP 4 HZ2 TRP 4 -7.829 -0.447 5.681 31 HZ3 TRP 4 HZ3 TRP 4 -8.213 1.271 1.742 32 HH2 TRP 4 HH2 TRP 4 -9.142 0.873 4.020 33 H ALA 5 H ALA 5 -2.047 -1.607 0.088 34 HA ALA 5 HA ALA 5 0.486 -2.472 0.776 35 1HB ALA 5 1HB ALA 5 -0.968 -3.497 -0.849 36 2HB ALA 5 2HB ALA 5 0.503 -3.031 -1.705 37 3HB ALA 5 3HB ALA 5 -0.954 -2.047 -1.851 38 H THR 6 H THR 6 -0.398 0.611 -0.559 39 HA THR 6 HA THR 6 2.160 1.243 -1.782 40 HB THR 6 HB THR 6 0.170 3.237 -0.743 41 HG1 THR 6 1HG THR 6 -0.247 1.734 -3.095 42 1HG2 THR 6 1HG2 THR 6 2.027 2.936 -3.071 43 2HG2 THR 6 2HG2 THR 6 1.817 4.305 -1.980 44 3HG2 THR 6 3HG2 THR 6 0.616 3.981 -3.229 45 H GLY 7 H GLY 7 1.029 0.990 1.415 46 1HA GLY 7 2HA GLY 7 3.116 2.877 2.391 47 2HA GLY 7 1HA GLY 7 1.709 2.384 3.333 48 H HIS 8 H HIS 8 2.404 -0.398 1.960 49 HA HIS 8 HA HIS 8 3.981 -1.350 4.276 50 1HB HIS 8 2HB HIS 8 2.033 -2.610 3.685 51 2HB HIS 8 1HB HIS 8 2.478 -2.625 1.978 52 HD1 HIS 8 HD1 HIS 8 2.622 -4.695 4.906 53 HD2 HIS 8 HD2 HIS 8 5.141 -4.078 1.643 54 HE1 HIS 8 HE1 HIS 8 4.182 -6.689 4.819 55 H PHE 9 H PHE 9 4.371 -0.759 0.840 56 HA PHE 9 HA PHE 9 6.917 -2.258 0.708 57 1HB PHE 9 2HB PHE 9 5.119 -0.745 -1.175 58 2HB PHE 9 1HB PHE 9 6.755 -1.176 -1.675 59 HD1 PHE 9 HD1 PHE 9 3.599 -2.212 -2.171 60 HD2 PHE 9 HD2 PHE 9 7.254 -3.765 -0.536 61 HE1 PHE 9 HE1 PHE 9 2.840 -4.521 -2.667 62 HE2 PHE 9 HE2 PHE 9 6.496 -6.073 -1.033 63 HZ PHE 9 HZ PHE 9 4.289 -6.451 -2.098 64 H MET 10 H MET 10 5.763 1.084 0.811 65 HA MET 10 HA MET 10 8.590 2.057 0.747 66 1HB MET 10 2HB MET 10 6.017 2.935 -0.291 67 2HB MET 10 1HB MET 10 6.760 4.199 0.691 68 1HG MET 10 2HG MET 10 8.931 3.512 -0.675 69 2HG MET 10 1HG MET 10 7.740 2.946 -1.845 70 1HE MET 10 1HE MET 10 9.022 6.086 -3.390 71 2HE MET 10 2HE MET 10 9.578 4.538 -2.763 72 3HE MET 10 3HE MET 10 9.926 6.017 -1.871 73 1HN NH2 11 1HN NH2 11 5.743 1.699 2.754 74 2HN NH2 11 2HN NH2 11 6.346 2.501 4.115 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -7.596 1.229 -4.643 2 2H GLY 1 2H GLY 1 -8.799 0.675 -5.707 3 3H GLY 1 3H GLY 1 -7.164 0.636 -6.172 4 1HA GLY 1 2HA GLY 1 -8.660 -1.334 -4.830 5 2HA GLY 1 1HA GLY 1 -6.989 -1.414 -5.393 6 H ASN 2 H ASN 2 -5.550 -1.764 -3.780 7 HA ASN 2 HA ASN 2 -6.281 -0.945 -1.018 8 1HB ASN 2 2HB ASN 2 -4.669 -3.156 -2.245 9 2HB ASN 2 1HB ASN 2 -4.261 -2.615 -0.612 10 1HD2 ASN 2 1HD2 ASN 2 -5.837 -2.945 1.081 11 2HD2 ASN 2 2HD2 ASN 2 -7.176 -3.968 0.871 12 H LEU 3 H LEU 3 -5.564 1.225 -1.483 13 HA LEU 3 HA LEU 3 -3.003 2.086 -2.363 14 1HB LEU 3 2HB LEU 3 -5.119 3.071 -0.462 15 2HB LEU 3 1HB LEU 3 -3.553 3.883 -0.438 16 HG LEU 3 HG LEU 3 -3.979 3.766 -3.113 17 1HD1 LEU 3 1HD1 LEU 3 -6.719 4.369 -2.003 18 2HD1 LEU 3 2HD1 LEU 3 -6.280 2.736 -2.506 19 3HD1 LEU 3 3HD1 LEU 3 -6.254 4.056 -3.676 20 1HD2 LEU 3 1HD2 LEU 3 -5.316 5.960 -1.553 21 2HD2 LEU 3 2HD2 LEU 3 -4.282 6.081 -2.976 22 3HD2 LEU 3 3HD2 LEU 3 -3.575 5.725 -1.400 23 H TRP 4 H TRP 4 -4.253 0.616 0.443 24 HA TRP 4 HA TRP 4 -2.645 0.648 2.573 25 1HB TRP 4 2HB TRP 4 -4.192 -1.175 0.963 26 2HB TRP 4 1HB TRP 4 -2.920 -2.031 1.759 27 HD1 TRP 4 HD1 TRP 4 -3.061 -2.202 4.367 28 HE1 TRP 4 HE1 TRP 4 -5.012 -1.660 6.008 29 HE3 TRP 4 HE3 TRP 4 -5.927 0.271 1.214 30 HZ2 TRP 4 HZ2 TRP 4 -7.580 -0.263 5.883 31 HZ3 TRP 4 HZ3 TRP 4 -8.158 1.247 1.882 32 HH2 TRP 4 HH2 TRP 4 -8.974 0.969 4.221 33 H ALA 5 H ALA 5 -2.070 -1.726 0.091 34 HA ALA 5 HA ALA 5 0.462 -2.591 0.660 35 1HB ALA 5 1HB ALA 5 -0.548 -3.764 -1.017 36 2HB ALA 5 2HB ALA 5 0.302 -2.641 -2.082 37 3HB ALA 5 3HB ALA 5 -1.375 -2.334 -1.631 38 H THR 6 H THR 6 -0.419 0.493 -0.737 39 HA THR 6 HA THR 6 2.178 1.117 -1.877 40 HB THR 6 HB THR 6 0.127 3.108 -0.947 41 HG1 THR 6 1HG THR 6 -1.036 2.568 -2.881 42 1HG2 THR 6 1HG2 THR 6 0.894 3.384 -3.664 43 2HG2 THR 6 2HG2 THR 6 2.358 3.033 -2.744 44 3HG2 THR 6 3HG2 THR 6 1.349 4.410 -2.303 45 H GLY 7 H GLY 7 0.957 0.890 1.280 46 1HA GLY 7 2HA GLY 7 2.998 2.808 2.294 47 2HA GLY 7 1HA GLY 7 1.550 2.350 3.189 48 H HIS 8 H HIS 8 2.329 -0.462 1.872 49 HA HIS 8 HA HIS 8 3.747 -1.389 4.298 50 1HB HIS 8 2HB HIS 8 1.863 -2.677 3.596 51 2HB HIS 8 1HB HIS 8 2.395 -2.673 1.915 52 HD1 HIS 8 HD1 HIS 8 2.378 -4.791 4.799 53 HD2 HIS 8 HD2 HIS 8 5.117 -4.077 1.737 54 HE1 HIS 8 HE1 HIS 8 3.969 -6.762 4.785 55 H PHE 9 H PHE 9 4.396 -0.748 0.920 56 HA PHE 9 HA PHE 9 6.897 -2.305 0.886 57 1HB PHE 9 2HB PHE 9 5.338 -0.544 -0.998 58 2HB PHE 9 1HB PHE 9 6.984 -1.034 -1.401 59 HD1 PHE 9 HD1 PHE 9 7.271 -3.725 -0.495 60 HD2 PHE 9 HD2 PHE 9 3.802 -1.837 -2.185 61 HE1 PHE 9 HE1 PHE 9 6.431 -5.936 -1.243 62 HE2 PHE 9 HE2 PHE 9 2.963 -4.047 -2.934 63 HZ PHE 9 HZ PHE 9 4.277 -6.097 -2.463 64 H MET 10 H MET 10 5.880 1.072 1.171 65 HA MET 10 HA MET 10 8.739 1.905 1.434 66 1HB MET 10 2HB MET 10 7.217 2.976 -0.271 67 2HB MET 10 1HB MET 10 6.214 3.551 1.062 68 1HG MET 10 2HG MET 10 8.949 4.207 1.624 69 2HG MET 10 1HG MET 10 8.557 4.764 -0.003 70 1HE MET 10 1HE MET 10 7.185 4.925 3.858 71 2HE MET 10 2HE MET 10 7.677 6.617 3.878 72 3HE MET 10 3HE MET 10 8.821 5.381 3.363 73 1HN NH2 11 1HN NH2 11 5.720 1.513 3.153 74 2HN NH2 11 2HN NH2 11 6.223 2.184 4.621 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -9.532 1.149 -4.571 2 2H GLY 1 2H GLY 1 -9.379 -0.480 -4.110 3 3H GLY 1 3H GLY 1 -9.385 -0.057 -5.756 4 1HA GLY 1 2HA GLY 1 -7.154 -0.362 -5.409 5 2HA GLY 1 1HA GLY 1 -7.331 1.370 -5.119 6 H ASN 2 H ASN 2 -5.450 -0.699 -3.937 7 HA ASN 2 HA ASN 2 -6.180 -0.420 -1.069 8 1HB ASN 2 2HB ASN 2 -4.562 -2.353 -2.693 9 2HB ASN 2 1HB ASN 2 -4.147 -2.123 -0.990 10 1HD2 ASN 2 1HD2 ASN 2 -5.721 -2.757 0.619 11 2HD2 ASN 2 2HD2 ASN 2 -7.054 -3.735 0.231 12 H LEU 3 H LEU 3 -5.479 1.807 -1.128 13 HA LEU 3 HA LEU 3 -2.938 2.848 -1.829 14 1HB LEU 3 2HB LEU 3 -4.960 3.384 0.363 15 2HB LEU 3 1HB LEU 3 -3.460 4.307 0.298 16 HG LEU 3 HG LEU 3 -5.473 5.332 -0.908 17 1HD1 LEU 3 1HD1 LEU 3 -3.442 6.326 -1.471 18 2HD1 LEU 3 2HD1 LEU 3 -3.977 5.724 -3.040 19 3HD1 LEU 3 3HD1 LEU 3 -2.772 4.827 -2.117 20 1HD2 LEU 3 1HD2 LEU 3 -4.814 3.076 -2.828 21 2HD2 LEU 3 2HD2 LEU 3 -5.887 4.429 -3.188 22 3HD2 LEU 3 3HD2 LEU 3 -6.321 3.270 -1.932 23 H TRP 4 H TRP 4 -4.155 0.864 0.656 24 HA TRP 4 HA TRP 4 -2.531 0.502 2.739 25 1HB TRP 4 2HB TRP 4 -4.085 -0.994 0.828 26 2HB TRP 4 1HB TRP 4 -2.804 -1.979 1.441 27 HD1 TRP 4 HD1 TRP 4 -2.920 -2.622 3.980 28 HE1 TRP 4 HE1 TRP 4 -4.868 -2.416 5.699 29 HE3 TRP 4 HE3 TRP 4 -5.832 0.352 1.346 30 HZ2 TRP 4 HZ2 TRP 4 -7.453 -1.052 5.841 31 HZ3 TRP 4 HZ3 TRP 4 -8.071 1.162 2.190 32 HH2 TRP 4 HH2 TRP 4 -8.871 0.448 4.441 33 H ALA 5 H ALA 5 -1.968 -1.366 -0.144 34 HA ALA 5 HA ALA 5 0.619 -2.247 0.298 35 1HB ALA 5 1HB ALA 5 -0.492 -3.300 -1.408 36 2HB ALA 5 2HB ALA 5 0.365 -2.125 -2.407 37 3HB ALA 5 3HB ALA 5 -1.301 -1.819 -1.917 38 H THR 6 H THR 6 -0.404 0.940 -0.618 39 HA THR 6 HA THR 6 2.088 1.747 -1.898 40 HB THR 6 HB THR 6 -0.067 3.472 -0.671 41 HG1 THR 6 1HG THR 6 -1.229 2.076 -1.862 42 1HG2 THR 6 1HG2 THR 6 0.595 5.074 -2.234 43 2HG2 THR 6 2HG2 THR 6 1.323 3.872 -3.301 44 3HG2 THR 6 3HG2 THR 6 2.128 4.321 -1.796 45 H GLY 7 H GLY 7 1.133 1.136 1.285 46 1HA GLY 7 2HA GLY 7 3.237 2.982 2.320 47 2HA GLY 7 1HA GLY 7 1.790 2.580 3.243 48 H HIS 8 H HIS 8 2.311 -0.230 1.838 49 HA HIS 8 HA HIS 8 3.741 -1.330 4.175 50 1HB HIS 8 2HB HIS 8 1.730 -2.420 3.369 51 2HB HIS 8 1HB HIS 8 2.388 -2.517 1.735 52 HD1 HIS 8 HD1 HIS 8 2.130 -4.422 4.811 53 HD2 HIS 8 HD2 HIS 8 4.871 -4.213 1.677 54 HE1 HIS 8 HE1 HIS 8 3.538 -6.523 4.950 55 H PHE 9 H PHE 9 4.252 -0.902 0.701 56 HA PHE 9 HA PHE 9 6.870 -2.293 0.837 57 1HB PHE 9 2HB PHE 9 5.031 -1.220 -1.292 58 2HB PHE 9 1HB PHE 9 6.704 -1.614 -1.690 59 HD1 PHE 9 HD1 PHE 9 3.422 -2.943 -0.759 60 HD2 PHE 9 HD2 PHE 9 7.544 -3.933 -1.452 61 HE1 PHE 9 HE1 PHE 9 2.823 -5.345 -0.891 62 HE2 PHE 9 HE2 PHE 9 6.945 -6.336 -1.585 63 HZ PHE 9 HZ PHE 9 4.584 -7.042 -1.304 64 H MET 10 H MET 10 5.499 0.933 0.419 65 HA MET 10 HA MET 10 8.251 2.085 0.216 66 1HB MET 10 2HB MET 10 5.629 2.619 -0.933 67 2HB MET 10 1HB MET 10 6.283 4.063 -0.159 68 1HG MET 10 2HG MET 10 7.727 2.354 -2.209 69 2HG MET 10 1HG MET 10 7.001 3.931 -2.516 70 1HE MET 10 1HE MET 10 9.739 6.187 -2.152 71 2HE MET 10 2HE MET 10 8.076 5.826 -2.609 72 3HE MET 10 3HE MET 10 9.403 4.976 -3.398 73 1HN NH2 11 1HN NH2 11 5.488 1.731 2.299 74 2HN NH2 11 2HN NH2 11 5.984 2.805 3.508 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -7.896 3.419 -4.931 2 2H GLY 1 2H GLY 1 -8.655 2.524 -3.703 3 3H GLY 1 3H GLY 1 -8.998 2.195 -5.334 4 1HA GLY 1 2HA GLY 1 -7.470 0.603 -5.221 5 2HA GLY 1 1HA GLY 1 -6.295 1.919 -5.206 6 H ASN 2 H ASN 2 -5.175 0.089 -3.882 7 HA ASN 2 HA ASN 2 -6.012 0.198 -1.033 8 1HB ASN 2 2HB ASN 2 -4.542 -1.760 -2.765 9 2HB ASN 2 1HB ASN 2 -4.198 -1.735 -1.031 10 1HD2 ASN 2 1HD2 ASN 2 -5.916 -2.331 0.439 11 2HD2 ASN 2 2HD2 ASN 2 -7.330 -3.101 -0.102 12 H LEU 3 H LEU 3 -5.055 2.315 -0.836 13 HA LEU 3 HA LEU 3 -2.373 3.097 -1.343 14 1HB LEU 3 2HB LEU 3 -4.477 3.721 0.727 15 2HB LEU 3 1HB LEU 3 -2.847 4.352 0.970 16 HG LEU 3 HG LEU 3 -4.557 4.784 -1.498 17 1HD1 LEU 3 1HD1 LEU 3 -4.224 7.233 -0.609 18 2HD1 LEU 3 2HD1 LEU 3 -3.924 6.434 0.934 19 3HD1 LEU 3 3HD1 LEU 3 -5.469 6.213 0.113 20 1HD2 LEU 3 1HD2 LEU 3 -2.412 4.918 -2.357 21 2HD2 LEU 3 2HD2 LEU 3 -1.704 5.356 -0.802 22 3HD2 LEU 3 3HD2 LEU 3 -2.580 6.563 -1.745 23 H TRP 4 H TRP 4 -3.935 1.047 0.885 24 HA TRP 4 HA TRP 4 -2.462 0.298 2.980 25 1HB TRP 4 2HB TRP 4 -4.104 -0.806 0.899 26 2HB TRP 4 1HB TRP 4 -2.944 -1.989 1.393 27 HD1 TRP 4 HD1 TRP 4 -3.138 -2.866 3.874 28 HE1 TRP 4 HE1 TRP 4 -5.098 -2.680 5.580 29 HE3 TRP 4 HE3 TRP 4 -5.751 0.575 1.521 30 HZ2 TRP 4 HZ2 TRP 4 -7.571 -1.137 5.829 31 HZ3 TRP 4 HZ3 TRP 4 -7.938 1.473 2.412 32 HH2 TRP 4 HH2 TRP 4 -8.839 0.604 4.568 33 H ALA 5 H ALA 5 -1.987 -1.226 -0.112 34 HA ALA 5 HA ALA 5 0.575 -2.342 0.413 35 1HB ALA 5 1HB ALA 5 0.220 -2.422 -2.269 36 2HB ALA 5 2HB ALA 5 -1.410 -1.973 -1.765 37 3HB ALA 5 3HB ALA 5 -0.677 -3.459 -1.158 38 H THR 6 H THR 6 -0.399 0.805 -0.681 39 HA THR 6 HA THR 6 2.103 1.430 -2.073 40 HB THR 6 HB THR 6 -0.382 2.894 -1.184 41 HG1 THR 6 1HG THR 6 0.799 2.305 -3.693 42 1HG2 THR 6 1HG2 THR 6 0.715 4.767 -2.682 43 2HG2 THR 6 2HG2 THR 6 2.219 4.000 -2.171 44 3HG2 THR 6 3HG2 THR 6 1.109 4.657 -0.967 45 H GLY 7 H GLY 7 1.166 1.108 1.144 46 1HA GLY 7 2HA GLY 7 3.314 2.988 2.020 47 2HA GLY 7 1HA GLY 7 1.857 2.708 2.974 48 H HIS 8 H HIS 8 2.304 -0.221 1.787 49 HA HIS 8 HA HIS 8 3.670 -1.188 4.217 50 1HB HIS 8 2HB HIS 8 1.702 -2.349 3.524 51 2HB HIS 8 1HB HIS 8 2.253 -2.430 1.850 52 HD1 HIS 8 HD1 HIS 8 2.029 -4.476 4.768 53 HD2 HIS 8 HD2 HIS 8 4.882 -4.020 1.763 54 HE1 HIS 8 HE1 HIS 8 3.473 -6.557 4.830 55 H PHE 9 H PHE 9 4.389 -0.690 0.828 56 HA PHE 9 HA PHE 9 6.849 -2.347 0.975 57 1HB PHE 9 2HB PHE 9 5.248 -0.928 -1.142 58 2HB PHE 9 1HB PHE 9 6.899 -1.442 -1.489 59 HD1 PHE 9 HD1 PHE 9 3.643 -2.711 -0.149 60 HD2 PHE 9 HD2 PHE 9 7.339 -3.663 -2.117 61 HE1 PHE 9 HE1 PHE 9 2.844 -5.027 -0.527 62 HE2 PHE 9 HE2 PHE 9 6.540 -5.979 -2.497 63 HZ PHE 9 HZ PHE 9 4.293 -6.662 -1.701 64 H MET 10 H MET 10 5.824 1.028 0.753 65 HA MET 10 HA MET 10 8.682 1.901 0.814 66 1HB MET 10 2HB MET 10 6.300 2.726 -0.556 67 2HB MET 10 1HB MET 10 6.811 4.044 0.499 68 1HG MET 10 2HG MET 10 8.460 4.562 -0.939 69 2HG MET 10 1HG MET 10 9.145 2.949 -0.734 70 1HE MET 10 1HE MET 10 10.071 3.013 -3.247 71 2HE MET 10 2HE MET 10 9.152 1.807 -4.146 72 3HE MET 10 3HE MET 10 9.554 1.518 -2.455 73 1HN NH2 11 1HN NH2 11 5.697 1.788 2.639 74 2HN NH2 11 2HN NH2 11 6.238 2.667 3.978 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -8.454 1.114 -4.051 2 2H GLY 1 2H GLY 1 -9.714 0.175 -4.698 3 3H GLY 1 3H GLY 1 -8.476 0.752 -5.709 4 1HA GLY 1 2HA GLY 1 -8.555 -1.708 -4.590 5 2HA GLY 1 1HA GLY 1 -7.106 -0.919 -5.215 6 H ASN 2 H ASN 2 -5.655 -1.687 -3.653 7 HA ASN 2 HA ASN 2 -6.242 -1.029 -0.815 8 1HB ASN 2 2HB ASN 2 -4.605 -3.094 -2.246 9 2HB ASN 2 1HB ASN 2 -4.114 -2.602 -0.621 10 1HD2 ASN 2 1HD2 ASN 2 -5.557 -3.080 1.157 11 2HD2 ASN 2 2HD2 ASN 2 -6.851 -4.167 0.990 12 H LEU 3 H LEU 3 -5.670 1.197 -1.226 13 HA LEU 3 HA LEU 3 -3.236 2.247 -2.228 14 1HB LEU 3 2HB LEU 3 -5.159 2.994 -0.009 15 2HB LEU 3 1HB LEU 3 -3.718 3.967 -0.294 16 HG LEU 3 HG LEU 3 -5.846 4.716 -1.504 17 1HD1 LEU 3 1HD1 LEU 3 -3.150 4.247 -2.675 18 2HD1 LEU 3 2HD1 LEU 3 -4.015 5.762 -2.415 19 3HD1 LEU 3 3HD1 LEU 3 -4.425 4.737 -3.791 20 1HD2 LEU 3 1HD2 LEU 3 -6.335 3.477 -3.606 21 2HD2 LEU 3 2HD2 LEU 3 -6.635 2.490 -2.175 22 3HD2 LEU 3 3HD2 LEU 3 -5.172 2.241 -3.128 23 H TRP 4 H TRP 4 -4.195 0.583 0.584 24 HA TRP 4 HA TRP 4 -2.435 0.599 2.588 25 1HB TRP 4 2HB TRP 4 -4.012 -1.226 1.009 26 2HB TRP 4 1HB TRP 4 -2.644 -2.052 1.668 27 HD1 TRP 4 HD1 TRP 4 -2.579 -2.341 4.270 28 HE1 TRP 4 HE1 TRP 4 -4.426 -1.974 6.072 29 HE3 TRP 4 HE3 TRP 4 -5.791 0.112 1.452 30 HZ2 TRP 4 HZ2 TRP 4 -7.060 -0.708 6.199 31 HZ3 TRP 4 HZ3 TRP 4 -8.010 0.941 2.326 32 HH2 TRP 4 HH2 TRP 4 -8.634 0.520 4.702 33 H ALA 5 H ALA 5 -1.940 -1.618 -0.050 34 HA ALA 5 HA ALA 5 0.663 -2.390 0.294 35 1HB ALA 5 1HB ALA 5 -0.511 -1.789 -2.410 36 2HB ALA 5 2HB ALA 5 -1.302 -2.949 -1.343 37 3HB ALA 5 3HB ALA 5 0.353 -3.233 -1.880 38 H THR 6 H THR 6 -0.445 0.720 -0.857 39 HA THR 6 HA THR 6 2.027 1.510 -2.161 40 HB THR 6 HB THR 6 -0.035 3.353 -0.975 41 HG1 THR 6 1HG THR 6 -1.276 2.870 -2.896 42 1HG2 THR 6 1HG2 THR 6 0.467 3.913 -3.669 43 2HG2 THR 6 2HG2 THR 6 2.031 3.430 -3.009 44 3HG2 THR 6 3HG2 THR 6 1.137 4.762 -2.275 45 H GLY 7 H GLY 7 1.066 1.069 1.062 46 1HA GLY 7 2HA GLY 7 3.255 2.868 1.985 47 2HA GLY 7 1HA GLY 7 1.771 2.659 2.912 48 H HIS 8 H HIS 8 2.154 -0.297 1.717 49 HA HIS 8 HA HIS 8 3.309 -1.347 4.200 50 1HB HIS 8 2HB HIS 8 1.427 -2.468 3.226 51 2HB HIS 8 1HB HIS 8 2.198 -2.521 1.640 52 HD1 HIS 8 HD1 HIS 8 1.474 -4.714 4.289 53 HD2 HIS 8 HD2 HIS 8 4.923 -4.023 2.053 54 HE1 HIS 8 HE1 HIS 8 2.924 -6.773 4.555 55 H PHE 9 H PHE 9 4.382 -0.759 0.913 56 HA PHE 9 HA PHE 9 6.797 -2.434 1.223 57 1HB PHE 9 2HB PHE 9 5.505 -0.754 -0.915 58 2HB PHE 9 1HB PHE 9 7.172 -1.296 -1.110 59 HD1 PHE 9 HD1 PHE 9 3.887 -2.117 -1.878 60 HD2 PHE 9 HD2 PHE 9 7.478 -3.904 -0.339 61 HE1 PHE 9 HE1 PHE 9 3.078 -4.351 -2.586 62 HE2 PHE 9 HE2 PHE 9 6.668 -6.139 -1.047 63 HZ PHE 9 HZ PHE 9 4.469 -6.363 -2.170 64 H MET 10 H MET 10 5.879 0.981 1.220 65 HA MET 10 HA MET 10 8.725 1.744 1.729 66 1HB MET 10 2HB MET 10 6.678 2.736 0.065 67 2HB MET 10 1HB MET 10 6.815 3.909 1.377 68 1HG MET 10 2HG MET 10 8.414 4.670 -0.167 69 2HG MET 10 1HG MET 10 9.380 3.724 0.964 70 1HE MET 10 1HE MET 10 11.404 1.839 -1.081 71 2HE MET 10 2HE MET 10 11.111 3.093 0.121 72 3HE MET 10 3HE MET 10 11.295 3.534 -1.574 73 1HN NH2 11 1HN NH2 11 5.529 1.554 3.143 74 2HN NH2 11 2HN NH2 11 5.910 2.281 4.621 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -9.643 -1.642 -4.416 2 2H GLY 1 2H GLY 1 -8.348 -2.724 -4.217 3 3H GLY 1 3H GLY 1 -8.778 -2.188 -5.771 4 1HA GLY 1 2HA GLY 1 -6.954 -0.880 -5.339 5 2HA GLY 1 1HA GLY 1 -8.290 0.153 -4.831 6 H ASN 2 H ASN 2 -5.534 -1.644 -3.756 7 HA ASN 2 HA ASN 2 -6.164 -1.003 -0.923 8 1HB ASN 2 2HB ASN 2 -4.522 -3.073 -2.341 9 2HB ASN 2 1HB ASN 2 -4.060 -2.602 -0.702 10 1HD2 ASN 2 1HD2 ASN 2 -5.551 -3.073 1.039 11 2HD2 ASN 2 2HD2 ASN 2 -6.850 -4.148 0.835 12 H LEU 3 H LEU 3 -5.559 1.218 -1.304 13 HA LEU 3 HA LEU 3 -3.081 2.234 -2.251 14 1HB LEU 3 2HB LEU 3 -5.269 3.044 -0.431 15 2HB LEU 3 1HB LEU 3 -3.715 3.769 -0.016 16 HG LEU 3 HG LEU 3 -4.091 3.855 -2.875 17 1HD1 LEU 3 1HD1 LEU 3 -5.992 5.685 -2.522 18 2HD1 LEU 3 2HD1 LEU 3 -6.403 4.656 -1.150 19 3HD1 LEU 3 3HD1 LEU 3 -6.401 3.989 -2.783 20 1HD2 LEU 3 1HD2 LEU 3 -2.576 5.352 -1.800 21 2HD2 LEU 3 2HD2 LEU 3 -3.797 5.871 -0.638 22 3HD2 LEU 3 3HD2 LEU 3 -3.924 6.359 -2.328 23 H TRP 4 H TRP 4 -4.136 0.568 0.525 24 HA TRP 4 HA TRP 4 -2.432 0.561 2.579 25 1HB TRP 4 2HB TRP 4 -3.979 -1.243 0.945 26 2HB TRP 4 1HB TRP 4 -2.637 -2.082 1.638 27 HD1 TRP 4 HD1 TRP 4 -2.651 -2.391 4.236 28 HE1 TRP 4 HE1 TRP 4 -4.545 -2.018 5.988 29 HE3 TRP 4 HE3 TRP 4 -5.757 0.114 1.347 30 HZ2 TRP 4 HZ2 TRP 4 -7.170 -0.727 6.049 31 HZ3 TRP 4 HZ3 TRP 4 -7.992 0.958 2.163 32 HH2 TRP 4 HH2 TRP 4 -8.689 0.527 4.517 33 H ALA 5 H ALA 5 -1.879 -1.656 -0.047 34 HA ALA 5 HA ALA 5 0.713 -2.435 0.363 35 1HB ALA 5 1HB ALA 5 -0.365 -1.839 -2.377 36 2HB ALA 5 2HB ALA 5 -1.225 -2.968 -1.330 37 3HB ALA 5 3HB ALA 5 0.443 -3.297 -1.801 38 H THR 6 H THR 6 -0.362 0.671 -0.831 39 HA THR 6 HA THR 6 2.165 1.449 -2.044 40 HB THR 6 HB THR 6 -0.052 3.221 -1.012 41 HG1 THR 6 1HG THR 6 -1.190 1.755 -2.115 42 1HG2 THR 6 1HG2 THR 6 0.540 4.264 -3.341 43 2HG2 THR 6 2HG2 THR 6 2.027 3.330 -3.169 44 3HG2 THR 6 3HG2 THR 6 1.607 4.548 -1.964 45 H GLY 7 H GLY 7 1.096 1.023 1.131 46 1HA GLY 7 2HA GLY 7 3.154 2.940 2.125 47 2HA GLY 7 1HA GLY 7 1.659 2.627 3.006 48 H HIS 8 H HIS 8 2.246 -0.286 1.813 49 HA HIS 8 HA HIS 8 3.547 -1.218 4.303 50 1HB HIS 8 2HB HIS 8 1.580 -2.383 3.599 51 2HB HIS 8 1HB HIS 8 2.163 -2.505 1.938 52 HD1 HIS 8 HD1 HIS 8 1.842 -4.507 4.860 53 HD2 HIS 8 HD2 HIS 8 4.824 -4.076 1.980 54 HE1 HIS 8 HE1 HIS 8 3.288 -6.580 5.012 55 H PHE 9 H PHE 9 4.294 -0.788 0.908 56 HA PHE 9 HA PHE 9 6.665 -2.522 0.971 57 1HB PHE 9 2HB PHE 9 5.240 -0.731 -0.966 58 2HB PHE 9 1HB PHE 9 6.896 -1.222 -1.326 59 HD1 PHE 9 HD1 PHE 9 3.774 -2.816 0.034 60 HD2 PHE 9 HD2 PHE 9 7.119 -3.120 -2.644 61 HE1 PHE 9 HE1 PHE 9 2.954 -5.026 -0.738 62 HE2 PHE 9 HE2 PHE 9 6.299 -5.330 -3.416 63 HZ PHE 9 HZ PHE 9 4.218 -6.283 -2.463 64 H MET 10 H MET 10 6.233 0.960 0.289 65 HA MET 10 HA MET 10 8.967 1.447 1.383 66 1HB MET 10 2HB MET 10 8.634 3.608 0.070 67 2HB MET 10 1HB MET 10 8.670 2.143 -0.908 68 1HG MET 10 2HG MET 10 6.326 2.150 -1.210 69 2HG MET 10 1HG MET 10 6.070 3.267 0.132 70 1HE MET 10 1HE MET 10 7.187 5.404 0.311 71 2HE MET 10 2HE MET 10 5.666 5.940 -0.397 72 3HE MET 10 3HE MET 10 7.186 6.617 -0.977 73 1HN NH2 11 1HN NH2 11 5.558 2.080 1.854 74 2HN NH2 11 2HN NH2 11 5.719 3.140 3.161 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -8.027 1.068 -5.980 2 2H GLY 1 2H GLY 1 -7.579 1.616 -4.435 3 3H GLY 1 3H GLY 1 -9.199 1.223 -4.764 4 1HA GLY 1 2HA GLY 1 -8.882 -0.985 -4.550 5 2HA GLY 1 1HA GLY 1 -7.248 -0.889 -5.212 6 H ASN 2 H ASN 2 -5.740 -1.388 -3.703 7 HA ASN 2 HA ASN 2 -6.316 -0.782 -0.851 8 1HB ASN 2 2HB ASN 2 -4.754 -2.873 -2.327 9 2HB ASN 2 1HB ASN 2 -4.258 -2.446 -0.685 10 1HD2 ASN 2 1HD2 ASN 2 -5.742 -2.906 1.066 11 2HD2 ASN 2 2HD2 ASN 2 -7.076 -3.938 0.860 12 H LEU 3 H LEU 3 -5.652 1.426 -1.194 13 HA LEU 3 HA LEU 3 -3.159 2.389 -2.157 14 1HB LEU 3 2HB LEU 3 -5.167 3.198 -0.065 15 2HB LEU 3 1HB LEU 3 -3.611 4.030 -0.073 16 HG LEU 3 HG LEU 3 -4.717 3.771 -2.759 17 1HD1 LEU 3 1HD1 LEU 3 -6.629 5.197 -2.523 18 2HD1 LEU 3 2HD1 LEU 3 -6.269 5.508 -0.825 19 3HD1 LEU 3 3HD1 LEU 3 -6.823 3.912 -1.330 20 1HD2 LEU 3 1HD2 LEU 3 -2.893 5.334 -1.619 21 2HD2 LEU 3 2HD2 LEU 3 -4.293 6.362 -1.314 22 3HD2 LEU 3 3HD2 LEU 3 -3.866 5.922 -2.968 23 H TRP 4 H TRP 4 -4.223 0.699 0.601 24 HA TRP 4 HA TRP 4 -2.488 0.600 2.628 25 1HB TRP 4 2HB TRP 4 -4.114 -1.124 0.984 26 2HB TRP 4 1HB TRP 4 -2.789 -2.018 1.640 27 HD1 TRP 4 HD1 TRP 4 -2.772 -2.374 4.234 28 HE1 TRP 4 HE1 TRP 4 -4.626 -1.976 6.022 29 HE3 TRP 4 HE3 TRP 4 -5.844 0.277 1.439 30 HZ2 TRP 4 HZ2 TRP 4 -7.209 -0.608 6.148 31 HZ3 TRP 4 HZ3 TRP 4 -8.039 1.173 2.307 32 HH2 TRP 4 HH2 TRP 4 -8.712 0.720 4.664 33 H ALA 5 H ALA 5 -2.043 -1.587 -0.045 34 HA ALA 5 HA ALA 5 0.532 -2.447 0.310 35 1HB ALA 5 1HB ALA 5 -0.979 -1.769 -2.230 36 2HB ALA 5 2HB ALA 5 -1.185 -3.236 -1.274 37 3HB ALA 5 3HB ALA 5 0.337 -2.939 -2.116 38 H THR 6 H THR 6 -0.476 0.705 -0.821 39 HA THR 6 HA THR 6 2.051 1.431 -2.066 40 HB THR 6 HB THR 6 -0.097 3.249 -0.972 41 HG1 THR 6 1HG THR 6 -1.298 1.832 -2.073 42 1HG2 THR 6 1HG2 THR 6 1.042 4.780 -2.146 43 2HG2 THR 6 2HG2 THR 6 0.766 3.849 -3.619 44 3HG2 THR 6 3HG2 THR 6 2.201 3.545 -2.638 45 H GLY 7 H GLY 7 1.025 0.987 1.121 46 1HA GLY 7 2HA GLY 7 3.136 2.846 2.109 47 2HA GLY 7 1HA GLY 7 1.657 2.534 3.015 48 H HIS 8 H HIS 8 2.160 -0.360 1.760 49 HA HIS 8 HA HIS 8 3.400 -1.413 4.204 50 1HB HIS 8 2HB HIS 8 1.538 -2.595 3.286 51 2HB HIS 8 1HB HIS 8 2.229 -2.565 1.664 52 HD1 HIS 8 HD1 HIS 8 1.894 -4.731 4.512 53 HD2 HIS 8 HD2 HIS 8 4.856 -4.109 1.646 54 HE1 HIS 8 HE1 HIS 8 3.388 -6.776 4.570 55 H PHE 9 H PHE 9 4.371 -0.721 0.911 56 HA PHE 9 HA PHE 9 6.868 -2.301 1.176 57 1HB PHE 9 2HB PHE 9 5.403 -0.801 -0.982 58 2HB PHE 9 1HB PHE 9 7.093 -1.244 -1.217 59 HD1 PHE 9 HD1 PHE 9 3.691 -2.385 -1.323 60 HD2 PHE 9 HD2 PHE 9 7.750 -3.708 -0.850 61 HE1 PHE 9 HE1 PHE 9 3.005 -4.696 -1.905 62 HE2 PHE 9 HE2 PHE 9 7.064 -6.020 -1.432 63 HZ PHE 9 HZ PHE 9 4.692 -6.513 -1.959 64 H MET 10 H MET 10 5.754 1.052 1.066 65 HA MET 10 HA MET 10 8.567 1.998 1.425 66 1HB MET 10 2HB MET 10 6.033 3.054 0.250 67 2HB MET 10 1HB MET 10 7.115 4.228 0.999 68 1HG MET 10 2HG MET 10 8.344 4.204 -0.886 69 2HG MET 10 1HG MET 10 8.773 2.531 -0.523 70 1HE MET 10 1HE MET 10 8.801 1.575 -3.267 71 2HE MET 10 2HE MET 10 7.441 0.482 -3.023 72 3HE MET 10 3HE MET 10 8.511 0.857 -1.676 73 1HN NH2 11 1HN NH2 11 5.446 1.687 2.977 74 2HN NH2 11 2HN NH2 11 5.842 2.497 4.408 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -6.174 -2.083 -5.882 2 2H GLY 1 2H GLY 1 -5.552 -0.580 -5.393 3 3H GLY 1 3H GLY 1 -6.559 -0.683 -6.757 4 1HA GLY 1 2HA GLY 1 -8.068 0.057 -5.238 5 2HA GLY 1 1HA GLY 1 -8.243 -1.689 -5.049 6 H ASN 2 H ASN 2 -5.481 -1.792 -3.812 7 HA ASN 2 HA ASN 2 -6.303 -0.901 -1.099 8 1HB ASN 2 2HB ASN 2 -4.690 -3.169 -2.215 9 2HB ASN 2 1HB ASN 2 -4.335 -2.601 -0.579 10 1HD2 ASN 2 1HD2 ASN 2 -5.988 -2.854 1.055 11 2HD2 ASN 2 2HD2 ASN 2 -7.337 -3.858 0.815 12 H LEU 3 H LEU 3 -5.523 1.243 -1.570 13 HA LEU 3 HA LEU 3 -2.917 2.038 -2.372 14 1HB LEU 3 2HB LEU 3 -5.094 3.097 -0.593 15 2HB LEU 3 1HB LEU 3 -3.510 3.864 -0.469 16 HG LEU 3 HG LEU 3 -3.902 3.631 -3.211 17 1HD1 LEU 3 1HD1 LEU 3 -6.496 4.230 -1.780 18 2HD1 LEU 3 2HD1 LEU 3 -6.212 3.085 -3.091 19 3HD1 LEU 3 3HD1 LEU 3 -6.178 4.819 -3.411 20 1HD2 LEU 3 1HD2 LEU 3 -2.907 5.568 -2.207 21 2HD2 LEU 3 2HD2 LEU 3 -4.358 5.903 -1.261 22 3HD2 LEU 3 3HD2 LEU 3 -4.373 6.132 -3.010 23 H TRP 4 H TRP 4 -4.296 0.643 0.412 24 HA TRP 4 HA TRP 4 -2.758 0.682 2.594 25 1HB TRP 4 2HB TRP 4 -4.295 -1.137 0.969 26 2HB TRP 4 1HB TRP 4 -3.071 -2.006 1.825 27 HD1 TRP 4 HD1 TRP 4 -3.301 -2.116 4.430 28 HE1 TRP 4 HE1 TRP 4 -5.293 -1.493 5.993 29 HE3 TRP 4 HE3 TRP 4 -6.002 0.351 1.131 30 HZ2 TRP 4 HZ2 TRP 4 -7.821 -0.042 5.751 31 HZ3 TRP 4 HZ3 TRP 4 -8.230 1.393 1.702 32 HH2 TRP 4 HH2 TRP 4 -9.131 1.184 4.017 33 H ALA 5 H ALA 5 -2.159 -1.759 0.185 34 HA ALA 5 HA ALA 5 0.341 -2.655 0.857 35 1HB ALA 5 1HB ALA 5 -0.556 -3.882 -0.830 36 2HB ALA 5 2HB ALA 5 0.208 -2.720 -1.917 37 3HB ALA 5 3HB ALA 5 -1.473 -2.502 -1.433 38 H THR 6 H THR 6 -0.449 0.399 -0.651 39 HA THR 6 HA THR 6 2.173 0.946 -1.764 40 HB THR 6 HB THR 6 0.171 3.009 -0.887 41 HG1 THR 6 1HG THR 6 -0.186 0.925 -2.714 42 1HG2 THR 6 1HG2 THR 6 0.839 3.398 -3.533 43 2HG2 THR 6 2HG2 THR 6 2.317 2.710 -2.859 44 3HG2 THR 6 3HG2 THR 6 1.628 4.175 -2.160 45 H GLY 7 H GLY 7 0.903 0.823 1.385 46 1HA GLY 7 2HA GLY 7 2.928 2.749 2.397 47 2HA GLY 7 1HA GLY 7 1.521 2.208 3.309 48 H HIS 8 H HIS 8 2.384 -0.541 1.931 49 HA HIS 8 HA HIS 8 3.905 -1.449 4.300 50 1HB HIS 8 2HB HIS 8 2.064 -2.809 3.644 51 2HB HIS 8 1HB HIS 8 2.521 -2.738 1.942 52 HD1 HIS 8 HD1 HIS 8 2.927 -4.770 4.945 53 HD2 HIS 8 HD2 HIS 8 5.078 -4.180 1.422 54 HE1 HIS 8 HE1 HIS 8 4.539 -6.715 4.756 55 H PHE 9 H PHE 9 4.411 -0.783 0.894 56 HA PHE 9 HA PHE 9 6.981 -2.209 0.776 57 1HB PHE 9 2HB PHE 9 5.306 -0.488 -1.047 58 2HB PHE 9 1HB PHE 9 6.948 -0.942 -1.503 59 HD1 PHE 9 HD1 PHE 9 3.809 -1.797 -2.281 60 HD2 PHE 9 HD2 PHE 9 7.269 -3.641 -0.524 61 HE1 PHE 9 HE1 PHE 9 2.994 -4.024 -3.009 62 HE2 PHE 9 HE2 PHE 9 6.453 -5.866 -1.252 63 HZ PHE 9 HZ PHE 9 4.315 -6.058 -2.496 64 H MET 10 H MET 10 5.826 1.124 1.091 65 HA MET 10 HA MET 10 8.652 2.075 1.303 66 1HB MET 10 2HB MET 10 6.005 3.231 0.496 67 2HB MET 10 1HB MET 10 7.217 4.321 1.170 68 1HG MET 10 2HG MET 10 8.001 4.427 -0.961 69 2HG MET 10 1HG MET 10 8.720 2.858 -0.598 70 1HE MET 10 1HE MET 10 8.418 3.889 -3.131 71 2HE MET 10 2HE MET 10 7.169 3.284 -4.217 72 3HE MET 10 3HE MET 10 8.413 2.188 -3.619 73 1HN NH2 11 1HN NH2 11 5.672 1.582 3.069 74 2HN NH2 11 2HN NH2 11 6.177 2.268 4.530 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -9.525 0.809 -3.922 2 2H GLY 1 2H GLY 1 -9.298 0.671 -5.600 3 3H GLY 1 3H GLY 1 -8.195 1.558 -4.659 4 1HA GLY 1 2HA GLY 1 -8.635 -1.377 -4.592 5 2HA GLY 1 1HA GLY 1 -7.202 -0.536 -5.188 6 H ASN 2 H ASN 2 -5.781 -1.443 -3.639 7 HA ASN 2 HA ASN 2 -6.345 -0.811 -0.791 8 1HB ASN 2 2HB ASN 2 -4.780 -2.909 -2.254 9 2HB ASN 2 1HB ASN 2 -4.275 -2.462 -0.621 10 1HD2 ASN 2 1HD2 ASN 2 -5.744 -2.912 1.145 11 2HD2 ASN 2 2HD2 ASN 2 -7.073 -3.953 0.959 12 H LEU 3 H LEU 3 -5.695 1.398 -1.164 13 HA LEU 3 HA LEU 3 -3.213 2.365 -2.149 14 1HB LEU 3 2HB LEU 3 -5.346 3.208 -0.280 15 2HB LEU 3 1HB LEU 3 -3.768 3.888 0.117 16 HG LEU 3 HG LEU 3 -4.853 3.960 -2.699 17 1HD1 LEU 3 1HD1 LEU 3 -5.366 6.432 -1.992 18 2HD1 LEU 3 2HD1 LEU 3 -5.437 5.763 -0.362 19 3HD1 LEU 3 3HD1 LEU 3 -6.536 5.169 -1.607 20 1HD2 LEU 3 1HD2 LEU 3 -2.429 4.745 -1.386 21 2HD2 LEU 3 2HD2 LEU 3 -3.255 6.202 -1.940 22 3HD2 LEU 3 3HD2 LEU 3 -2.855 4.926 -3.089 23 H TRP 4 H TRP 4 -4.252 0.698 0.633 24 HA TRP 4 HA TRP 4 -2.504 0.629 2.650 25 1HB TRP 4 2HB TRP 4 -4.131 -1.119 1.035 26 2HB TRP 4 1HB TRP 4 -2.796 -1.999 1.689 27 HD1 TRP 4 HD1 TRP 4 -2.755 -2.328 4.287 28 HE1 TRP 4 HE1 TRP 4 -4.601 -1.928 6.083 29 HE3 TRP 4 HE3 TRP 4 -5.869 0.269 1.489 30 HZ2 TRP 4 HZ2 TRP 4 -7.194 -0.582 6.215 31 HZ3 TRP 4 HZ3 TRP 4 -8.067 1.155 2.362 32 HH2 TRP 4 HH2 TRP 4 -8.719 0.719 4.728 33 H ALA 5 H ALA 5 -2.066 -1.568 -0.014 34 HA ALA 5 HA ALA 5 0.522 -2.410 0.344 35 1HB ALA 5 1HB ALA 5 -1.418 -2.014 -1.883 36 2HB ALA 5 2HB ALA 5 -0.732 -3.511 -1.252 37 3HB ALA 5 3HB ALA 5 0.221 -2.487 -2.328 38 H THR 6 H THR 6 -0.519 0.717 -0.805 39 HA THR 6 HA THR 6 1.959 1.443 -2.141 40 HB THR 6 HB THR 6 -0.066 3.330 -0.959 41 HG1 THR 6 1HG THR 6 -0.546 2.134 -3.431 42 1HG2 THR 6 1HG2 THR 6 0.641 4.754 -2.597 43 2HG2 THR 6 2HG2 THR 6 0.854 3.456 -3.772 44 3HG2 THR 6 3HG2 THR 6 2.084 3.742 -2.541 45 H GLY 7 H GLY 7 1.026 1.036 1.090 46 1HA GLY 7 2HA GLY 7 3.232 2.831 1.986 47 2HA GLY 7 1HA GLY 7 1.764 2.607 2.935 48 H HIS 8 H HIS 8 2.150 -0.335 1.702 49 HA HIS 8 HA HIS 8 3.325 -1.412 4.160 50 1HB HIS 8 2HB HIS 8 1.469 -2.556 3.179 51 2HB HIS 8 1HB HIS 8 2.214 -2.541 1.580 52 HD1 HIS 8 HD1 HIS 8 1.695 -4.735 4.353 53 HD2 HIS 8 HD2 HIS 8 4.858 -4.095 1.715 54 HE1 HIS 8 HE1 HIS 8 3.159 -6.798 4.477 55 H PHE 9 H PHE 9 4.410 -0.717 0.904 56 HA PHE 9 HA PHE 9 6.860 -2.355 1.221 57 1HB PHE 9 2HB PHE 9 5.458 -0.828 -0.946 58 2HB PHE 9 1HB PHE 9 7.172 -1.195 -1.142 59 HD1 PHE 9 HD1 PHE 9 3.858 -2.441 -1.523 60 HD2 PHE 9 HD2 PHE 9 7.888 -3.671 -0.685 61 HE1 PHE 9 HE1 PHE 9 3.289 -4.760 -2.192 62 HE2 PHE 9 HE2 PHE 9 7.319 -5.990 -1.353 63 HZ PHE 9 HZ PHE 9 5.020 -6.535 -2.107 64 H MET 10 H MET 10 5.990 1.061 0.655 65 HA MET 10 HA MET 10 8.729 1.855 1.553 66 1HB MET 10 2HB MET 10 6.677 2.858 -0.350 67 2HB MET 10 1HB MET 10 7.569 4.096 0.534 68 1HG MET 10 2HG MET 10 8.990 1.812 -0.835 69 2HG MET 10 1HG MET 10 8.577 3.291 -1.702 70 1HE MET 10 1HE MET 10 10.491 1.470 0.848 71 2HE MET 10 2HE MET 10 11.943 2.435 1.106 72 3HE MET 10 3HE MET 10 11.605 1.775 -0.493 73 1HN NH2 11 1HN NH2 11 5.326 1.969 2.354 74 2HN NH2 11 2HN NH2 11 5.465 2.949 3.725 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -7.046 1.177 -4.945 2 2H GLY 1 2H GLY 1 -8.160 0.777 -6.164 3 3H GLY 1 3H GLY 1 -6.546 0.265 -6.286 4 1HA GLY 1 2HA GLY 1 -8.744 -0.964 -4.941 5 2HA GLY 1 1HA GLY 1 -7.172 -1.642 -5.368 6 H ASN 2 H ASN 2 -5.598 -1.772 -3.775 7 HA ASN 2 HA ASN 2 -6.393 -0.848 -1.065 8 1HB ASN 2 2HB ASN 2 -4.821 -3.148 -2.174 9 2HB ASN 2 1HB ASN 2 -4.449 -2.575 -0.544 10 1HD2 ASN 2 1HD2 ASN 2 -6.101 -2.786 1.100 11 2HD2 ASN 2 2HD2 ASN 2 -7.466 -3.771 0.874 12 H LEU 3 H LEU 3 -5.581 1.281 -1.560 13 HA LEU 3 HA LEU 3 -2.965 2.028 -2.378 14 1HB LEU 3 2HB LEU 3 -5.145 3.135 -0.649 15 2HB LEU 3 1HB LEU 3 -3.547 3.855 -0.443 16 HG LEU 3 HG LEU 3 -4.084 3.536 -3.251 17 1HD1 LEU 3 1HD1 LEU 3 -5.948 5.410 -3.116 18 2HD1 LEU 3 2HD1 LEU 3 -6.289 4.657 -1.558 19 3HD1 LEU 3 3HD1 LEU 3 -6.392 3.705 -3.038 20 1HD2 LEU 3 1HD2 LEU 3 -3.010 5.425 -1.385 21 2HD2 LEU 3 2HD2 LEU 3 -4.184 6.263 -2.400 22 3HD2 LEU 3 3HD2 LEU 3 -2.832 5.406 -3.140 23 H TRP 4 H TRP 4 -4.355 0.679 0.424 24 HA TRP 4 HA TRP 4 -2.811 0.711 2.600 25 1HB TRP 4 2HB TRP 4 -4.378 -1.097 0.994 26 2HB TRP 4 1HB TRP 4 -3.164 -1.978 1.851 27 HD1 TRP 4 HD1 TRP 4 -3.388 -2.066 4.458 28 HE1 TRP 4 HE1 TRP 4 -5.365 -1.405 6.023 29 HE3 TRP 4 HE3 TRP 4 -6.064 0.416 1.150 30 HZ2 TRP 4 HZ2 TRP 4 -7.874 0.079 5.779 31 HZ3 TRP 4 HZ3 TRP 4 -8.276 1.492 1.722 32 HH2 TRP 4 HH2 TRP 4 -9.171 1.313 4.041 33 H ALA 5 H ALA 5 -2.254 -1.753 0.206 34 HA ALA 5 HA ALA 5 0.231 -2.687 0.879 35 1HB ALA 5 1HB ALA 5 -1.018 -2.210 -1.842 36 2HB ALA 5 2HB ALA 5 -1.381 -3.560 -0.768 37 3HB ALA 5 3HB ALA 5 0.220 -3.417 -1.495 38 H THR 6 H THR 6 -0.505 0.374 -0.639 39 HA THR 6 HA THR 6 2.127 0.865 -1.757 40 HB THR 6 HB THR 6 0.161 2.970 -0.907 41 HG1 THR 6 1HG THR 6 -1.086 2.421 -2.732 42 1HG2 THR 6 1HG2 THR 6 1.212 2.810 -3.656 43 2HG2 THR 6 2HG2 THR 6 2.438 3.019 -2.406 44 3HG2 THR 6 3HG2 THR 6 1.126 4.189 -2.559 45 H GLY 7 H GLY 7 0.864 0.782 1.392 46 1HA GLY 7 2HA GLY 7 2.900 2.708 2.385 47 2HA GLY 7 1HA GLY 7 1.494 2.175 3.305 48 H HIS 8 H HIS 8 2.402 -0.575 1.908 49 HA HIS 8 HA HIS 8 3.883 -1.478 4.304 50 1HB HIS 8 2HB HIS 8 2.078 -2.861 3.604 51 2HB HIS 8 1HB HIS 8 2.562 -2.768 1.910 52 HD1 HIS 8 HD1 HIS 8 3.157 -4.662 5.039 53 HD2 HIS 8 HD2 HIS 8 4.940 -4.329 1.286 54 HE1 HIS 8 HE1 HIS 8 4.745 -6.623 4.824 55 H PHE 9 H PHE 9 4.429 -0.886 0.877 56 HA PHE 9 HA PHE 9 7.012 -2.255 0.795 57 1HB PHE 9 2HB PHE 9 5.360 -0.488 -0.997 58 2HB PHE 9 1HB PHE 9 7.027 -0.864 -1.431 59 HD1 PHE 9 HD1 PHE 9 3.780 -1.861 -2.006 60 HD2 PHE 9 HD2 PHE 9 7.581 -3.521 -0.890 61 HE1 PHE 9 HE1 PHE 9 3.062 -4.077 -2.857 62 HE2 PHE 9 HE2 PHE 9 6.863 -5.737 -1.741 63 HZ PHE 9 HZ PHE 9 4.603 -6.015 -2.723 64 H MET 10 H MET 10 5.869 1.060 1.257 65 HA MET 10 HA MET 10 8.691 1.999 1.517 66 1HB MET 10 2HB MET 10 7.497 4.248 1.347 67 2HB MET 10 1HB MET 10 7.380 3.232 -0.087 68 1HG MET 10 2HG MET 10 5.147 2.668 0.339 69 2HG MET 10 1HG MET 10 5.273 3.064 2.052 70 1HE MET 10 1HE MET 10 6.897 5.303 -0.681 71 2HE MET 10 2HE MET 10 5.510 6.187 -1.314 72 3HE MET 10 3HE MET 10 5.602 4.440 -1.521 73 1HN NH2 11 1HN NH2 11 5.714 1.405 3.260 74 2HN NH2 11 2HN NH2 11 6.220 2.014 4.753 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -7.316 1.365 -4.916 2 2H GLY 1 2H GLY 1 -8.848 0.631 -4.959 3 3H GLY 1 3H GLY 1 -7.907 0.721 -6.371 4 1HA GLY 1 2HA GLY 1 -7.986 -1.503 -5.159 5 2HA GLY 1 1HA GLY 1 -6.408 -0.884 -5.650 6 H ASN 2 H ASN 2 -5.070 -1.556 -4.004 7 HA ASN 2 HA ASN 2 -5.916 -1.030 -1.204 8 1HB ASN 2 2HB ASN 2 -4.117 -3.003 -2.568 9 2HB ASN 2 1HB ASN 2 -3.782 -2.572 -0.886 10 1HD2 ASN 2 1HD2 ASN 2 -5.365 -3.155 0.733 11 2HD2 ASN 2 2HD2 ASN 2 -6.617 -4.255 0.407 12 H LEU 3 H LEU 3 -5.357 1.218 -1.462 13 HA LEU 3 HA LEU 3 -2.857 2.342 -2.206 14 1HB LEU 3 2HB LEU 3 -5.071 2.994 -0.274 15 2HB LEU 3 1HB LEU 3 -3.571 3.913 -0.140 16 HG LEU 3 HG LEU 3 -3.873 4.101 -2.782 17 1HD1 LEU 3 1HD1 LEU 3 -5.829 3.136 -3.413 18 2HD1 LEU 3 2HD1 LEU 3 -6.587 4.577 -2.735 19 3HD1 LEU 3 3HD1 LEU 3 -6.451 3.112 -1.762 20 1HD2 LEU 3 1HD2 LEU 3 -5.444 5.740 -0.765 21 2HD2 LEU 3 2HD2 LEU 3 -5.016 6.261 -2.394 22 3HD2 LEU 3 3HD2 LEU 3 -3.752 5.989 -1.196 23 H TRP 4 H TRP 4 -4.034 0.542 0.435 24 HA TRP 4 HA TRP 4 -2.461 0.507 2.591 25 1HB TRP 4 2HB TRP 4 -3.854 -1.275 0.806 26 2HB TRP 4 1HB TRP 4 -2.532 -2.105 1.546 27 HD1 TRP 4 HD1 TRP 4 -2.682 -2.497 4.133 28 HE1 TRP 4 HE1 TRP 4 -4.688 -2.245 5.779 29 HE3 TRP 4 HE3 TRP 4 -5.698 0.000 1.145 30 HZ2 TRP 4 HZ2 TRP 4 -7.354 -1.044 5.724 31 HZ3 TRP 4 HZ3 TRP 4 -8.005 0.743 1.850 32 HH2 TRP 4 HH2 TRP 4 -8.823 0.211 4.144 33 H ALA 5 H ALA 5 -1.690 -1.580 -0.085 34 HA ALA 5 HA ALA 5 0.915 -2.282 0.489 35 1HB ALA 5 1HB ALA 5 0.079 -1.803 -2.331 36 2HB ALA 5 2HB ALA 5 -0.989 -2.793 -1.336 37 3HB ALA 5 3HB ALA 5 0.689 -3.279 -1.582 38 H THR 6 H THR 6 -0.221 0.789 -0.683 39 HA THR 6 HA THR 6 2.258 1.660 -1.918 40 HB THR 6 HB THR 6 0.133 3.443 -0.758 41 HG1 THR 6 1HG THR 6 -0.297 2.299 -3.251 42 1HG2 THR 6 1HG2 THR 6 1.864 3.397 -3.225 43 2HG2 THR 6 2HG2 THR 6 1.825 4.604 -1.940 44 3HG2 THR 6 3HG2 THR 6 0.482 4.482 -3.077 45 H GLY 7 H GLY 7 1.223 1.171 1.280 46 1HA GLY 7 2HA GLY 7 3.299 3.063 2.280 47 2HA GLY 7 1HA GLY 7 1.841 2.679 3.194 48 H HIS 8 H HIS 8 2.314 -0.180 1.986 49 HA HIS 8 HA HIS 8 3.856 -1.142 4.322 50 1HB HIS 8 2HB HIS 8 1.797 -2.260 3.833 51 2HB HIS 8 1HB HIS 8 2.201 -2.402 2.123 52 HD1 HIS 8 HD1 HIS 8 2.239 -4.319 5.158 53 HD2 HIS 8 HD2 HIS 8 4.722 -4.096 1.818 54 HE1 HIS 8 HE1 HIS 8 3.621 -6.441 5.151 55 H PHE 9 H PHE 9 4.213 -0.771 0.851 56 HA PHE 9 HA PHE 9 6.616 -2.484 0.742 57 1HB PHE 9 2HB PHE 9 4.938 -0.880 -1.176 58 2HB PHE 9 1HB PHE 9 6.507 -1.507 -1.680 59 HD1 PHE 9 HD1 PHE 9 6.779 -4.083 -0.499 60 HD2 PHE 9 HD2 PHE 9 3.218 -2.216 -2.010 61 HE1 PHE 9 HE1 PHE 9 5.769 -6.316 -0.877 62 HE2 PHE 9 HE2 PHE 9 2.208 -4.449 -2.388 63 HZ PHE 9 HZ PHE 9 3.483 -6.499 -1.820 64 H MET 10 H MET 10 5.883 0.929 -0.029 65 HA MET 10 HA MET 10 8.754 1.593 0.482 66 1HB MET 10 2HB MET 10 6.659 2.405 -1.405 67 2HB MET 10 1HB MET 10 7.468 3.785 -0.662 68 1HG MET 10 2HG MET 10 8.577 2.966 -2.772 69 2HG MET 10 1HG MET 10 9.636 2.978 -1.362 70 1HE MET 10 1HE MET 10 10.514 1.134 -0.147 71 2HE MET 10 2HE MET 10 11.388 1.191 -1.676 72 3HE MET 10 3HE MET 10 10.923 -0.365 -0.994 73 1HN NH2 11 1HN NH2 11 5.473 2.087 1.597 74 2HN NH2 11 2HN NH2 11 5.833 3.200 2.818 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -9.341 -0.115 -4.698 2 2H GLY 1 2H GLY 1 -9.144 -1.793 -4.514 3 3H GLY 1 3H GLY 1 -9.161 -1.102 -6.065 4 1HA GLY 1 2HA GLY 1 -6.908 -1.614 -5.503 5 2HA GLY 1 1HA GLY 1 -7.119 0.137 -5.506 6 H ASN 2 H ASN 2 -5.288 -1.728 -3.923 7 HA ASN 2 HA ASN 2 -6.114 -0.953 -1.176 8 1HB ASN 2 2HB ASN 2 -4.468 -3.151 -2.382 9 2HB ASN 2 1HB ASN 2 -4.118 -2.639 -0.726 10 1HD2 ASN 2 1HD2 ASN 2 -5.759 -2.989 0.901 11 2HD2 ASN 2 2HD2 ASN 2 -7.094 -4.002 0.625 12 H LEU 3 H LEU 3 -5.371 1.220 -1.570 13 HA LEU 3 HA LEU 3 -2.779 2.084 -2.346 14 1HB LEU 3 2HB LEU 3 -4.971 3.043 -0.531 15 2HB LEU 3 1HB LEU 3 -3.400 3.830 -0.376 16 HG LEU 3 HG LEU 3 -4.157 3.499 -3.168 17 1HD1 LEU 3 1HD1 LEU 3 -5.837 5.626 -2.436 18 2HD1 LEU 3 2HD1 LEU 3 -6.232 4.326 -1.310 19 3HD1 LEU 3 3HD1 LEU 3 -6.340 4.051 -3.049 20 1HD2 LEU 3 1HD2 LEU 3 -2.572 5.153 -1.657 21 2HD2 LEU 3 2HD2 LEU 3 -3.963 6.191 -1.970 22 3HD2 LEU 3 3HD2 LEU 3 -3.063 5.491 -3.316 23 H TRP 4 H TRP 4 -4.131 0.566 0.386 24 HA TRP 4 HA TRP 4 -2.593 0.552 2.568 25 1HB TRP 4 2HB TRP 4 -4.101 -1.232 0.878 26 2HB TRP 4 1HB TRP 4 -2.861 -2.112 1.701 27 HD1 TRP 4 HD1 TRP 4 -3.087 -2.319 4.302 28 HE1 TRP 4 HE1 TRP 4 -5.089 -1.792 5.885 29 HE3 TRP 4 HE3 TRP 4 -5.834 0.216 1.094 30 HZ2 TRP 4 HZ2 TRP 4 -7.644 -0.378 5.696 31 HZ3 TRP 4 HZ3 TRP 4 -8.081 1.195 1.702 32 HH2 TRP 4 HH2 TRP 4 -8.977 0.886 4.008 33 H ALA 5 H ALA 5 -1.954 -1.792 0.075 34 HA ALA 5 HA ALA 5 0.579 -2.641 0.735 35 1HB ALA 5 1HB ALA 5 -1.134 -3.459 -0.932 36 2HB ALA 5 2HB ALA 5 0.523 -3.488 -1.538 37 3HB ALA 5 3HB ALA 5 -0.576 -2.198 -2.030 38 H THR 6 H THR 6 -0.312 0.404 -0.707 39 HA THR 6 HA THR 6 2.273 1.016 -1.886 40 HB THR 6 HB THR 6 0.218 3.013 -0.982 41 HG1 THR 6 1HG THR 6 -0.900 2.417 -2.971 42 1HG2 THR 6 1HG2 THR 6 0.752 3.976 -3.212 43 2HG2 THR 6 2HG2 THR 6 1.890 2.655 -3.479 44 3HG2 THR 6 3HG2 THR 6 2.177 3.819 -2.185 45 H GLY 7 H GLY 7 1.073 0.849 1.284 46 1HA GLY 7 2HA GLY 7 3.110 2.802 2.244 47 2HA GLY 7 1HA GLY 7 1.674 2.346 3.160 48 H HIS 8 H HIS 8 2.448 -0.485 1.906 49 HA HIS 8 HA HIS 8 3.921 -1.343 4.325 50 1HB HIS 8 2HB HIS 8 2.018 -2.648 3.687 51 2HB HIS 8 1HB HIS 8 2.539 -2.707 2.003 52 HD1 HIS 8 HD1 HIS 8 2.584 -4.683 5.002 53 HD2 HIS 8 HD2 HIS 8 5.224 -4.143 1.822 54 HE1 HIS 8 HE1 HIS 8 4.167 -6.659 5.044 55 H PHE 9 H PHE 9 4.473 -0.852 0.896 56 HA PHE 9 HA PHE 9 6.939 -2.410 0.783 57 1HB PHE 9 2HB PHE 9 5.653 -0.332 -1.014 58 2HB PHE 9 1HB PHE 9 7.057 -1.298 -1.465 59 HD1 PHE 9 HD1 PHE 9 6.365 -3.909 -0.219 60 HD2 PHE 9 HD2 PHE 9 3.940 -1.142 -2.437 61 HE1 PHE 9 HE1 PHE 9 4.870 -5.766 -0.902 62 HE2 PHE 9 HE2 PHE 9 2.445 -2.999 -3.119 63 HZ PHE 9 HZ PHE 9 2.910 -5.312 -2.351 64 H MET 10 H MET 10 6.116 1.050 0.962 65 HA MET 10 HA MET 10 8.993 1.672 1.486 66 1HB MET 10 2HB MET 10 6.615 3.107 0.342 67 2HB MET 10 1HB MET 10 7.900 4.060 1.085 68 1HG MET 10 2HG MET 10 9.500 2.623 -0.385 69 2HG MET 10 1HG MET 10 8.049 2.247 -1.315 70 1HE MET 10 1HE MET 10 7.172 3.551 -3.101 71 2HE MET 10 2HE MET 10 8.864 3.246 -3.488 72 3HE MET 10 3HE MET 10 8.159 4.825 -3.832 73 1HN NH2 11 1HN NH2 11 5.784 1.626 2.887 74 2HN NH2 11 2HN NH2 11 6.195 2.320 4.373
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