NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9759 | 1onu | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 2H GLY 1 -6.094 11.660 11.660 2 2H GLY 1 1H GLY 1 -5.903 13.063 13.063 3 3H GLY 1 3H GLY 1 -5.000 12.865 12.865 4 1HA GLY 1 1HA GLY 1 -3.847 11.025 11.025 5 2HA GLY 1 2HA GLY 1 -3.698 12.492 12.492 6 H GLU 2 H GLU 2 -6.418 12.231 12.231 7 HA GLU 2 HA GLU 2 -6.063 10.825 10.825 8 1HB GLU 2 2HB GLU 2 -8.635 11.518 11.518 9 2HB GLU 2 1HB GLU 2 -8.563 11.005 11.005 10 1HG GLU 2 2HG GLU 2 -7.077 12.953 12.953 11 2HG GLU 2 1HG GLU 2 -7.180 13.480 13.480 12 1HN CGU 3 HN GLA 3 -7.483 9.708 9.708 13 HA CGU 3 HA GLA 3 -8.367 7.168 7.168 14 1HB CGU 3 1HB GLA 3 -9.589 7.633 7.633 15 2HB CGU 3 2HB GLA 3 -8.346 6.675 6.675 16 HG CGU 3 HG GLA 3 -8.745 8.513 8.513 17 1HN CGU 4 HN GLA 4 -5.402 8.410 8.410 18 HA CGU 4 HA GLA 4 -4.197 5.710 5.710 19 1HB CGU 4 1HB GLA 4 -2.197 7.384 7.384 20 2HB CGU 4 2HB GLA 4 -3.573 8.406 8.406 21 HG CGU 4 HG GLA 4 -4.600 6.443 6.443 22 H LEU 5 H LEU 5 -4.725 7.921 7.921 23 HA LEU 5 HA LEU 5 -2.070 7.815 7.815 24 1HB LEU 5 2HB LEU 5 -4.551 9.453 9.453 25 2HB LEU 5 1HB LEU 5 -3.605 9.259 9.259 26 HG LEU 5 HG LEU 5 -2.294 10.136 10.136 27 1HD1 LEU 5 2HD1 LEU 5 -3.528 11.912 11.912 28 2HD1 LEU 5 1HD1 LEU 5 -2.514 12.481 12.481 29 3HD1 LEU 5 3HD1 LEU 5 -4.083 11.786 11.786 30 1HD2 LEU 5 1HD2 LEU 5 -0.811 9.346 9.346 31 2HD2 LEU 5 3HD2 LEU 5 -0.596 11.058 11.058 32 3HD2 LEU 5 2HD2 LEU 5 -1.542 10.531 10.531 33 H GLN 6 H GLN 6 -5.311 7.461 7.461 34 HA GLN 6 HA GLN 6 -4.266 5.450 5.450 35 1HB GLN 6 2HB GLN 6 -6.981 5.902 5.902 36 2HB GLN 6 1HB GLN 6 -5.605 6.614 6.614 37 1HG GLN 6 2HG GLN 6 -5.750 8.652 8.652 38 2HG GLN 6 1HG GLN 6 -6.729 7.974 7.974 39 1HE2 GLN 6 2HE2 GLN 6 -8.818 9.999 9.999 40 2HE2 GLN 6 1HE2 GLN 6 -7.342 10.329 10.329 41 1HN CGU 7 HN GLA 7 -6.720 5.944 5.944 42 HA CGU 7 HA GLA 7 -8.035 3.431 3.431 43 1HB CGU 7 1HB GLA 7 -8.633 4.151 4.151 44 2HB CGU 7 2HB GLA 7 -7.704 5.582 5.582 45 HG CGU 7 HG GLA 7 -9.849 6.182 6.182 46 H ASN 8 H ASN 8 -5.079 4.413 4.413 47 HA ASN 8 HA ASN 8 -4.849 2.163 2.163 48 1HB ASN 8 2HB ASN 8 -3.460 4.255 4.255 49 2HB ASN 8 1HB ASN 8 -2.570 3.783 3.783 50 1HD2 ASN 8 2HD2 ASN 8 -0.647 1.340 1.340 51 2HD2 ASN 8 1HD2 ASN 8 -1.061 2.017 2.017 52 H GLN 9 H GLN 9 -4.122 2.771 2.771 53 HA GLN 9 HA GLN 9 -2.478 0.466 0.466 54 1HB GLN 9 2HB GLN 9 -2.802 2.646 2.646 55 2HB GLN 9 1HB GLN 9 -4.170 1.807 1.807 56 1HG GLN 9 2HG GLN 9 -2.357 -0.169 -0.169 57 2HG GLN 9 1HG GLN 9 -1.227 1.172 1.172 58 1HE2 GLN 9 2HE2 GLN 9 -3.817 0.979 0.979 59 2HE2 GLN 9 1HE2 GLN 9 -4.181 0.136 0.136 60 1HN CGU 10 HN GLA 10 -5.788 0.753 0.753 61 HA CGU 10 HA GLA 10 -6.470 -1.691 -1.691 62 1HB CGU 10 1HB GLA 10 -8.772 -1.199 -1.199 63 2HB CGU 10 2HB GLA 10 -8.065 0.361 0.361 64 HG CGU 10 HG GLA 10 -9.513 0.355 0.355 65 H LEU 11 H LEU 11 -6.511 -0.546 -0.546 66 HA LEU 11 HA LEU 11 -7.032 -3.157 -3.157 67 1HB LEU 11 2HB LEU 11 -6.383 -2.098 -2.098 68 2HB LEU 11 1HB LEU 11 -7.567 -1.187 -1.187 69 HG LEU 11 HG LEU 11 -5.465 0.113 0.113 70 1HD1 LEU 11 2HD1 LEU 11 -4.284 -1.546 -1.546 71 2HD1 LEU 11 1HD1 LEU 11 -3.926 0.162 0.162 72 3HD1 LEU 11 3HD1 LEU 11 -3.497 -0.681 -0.681 73 1HD2 LEU 11 2HD2 LEU 11 -6.789 0.457 0.457 74 2HD2 LEU 11 1HD2 LEU 11 -7.070 1.337 1.337 75 3HD2 LEU 11 3HD2 LEU 11 -5.605 1.622 1.622 76 H ILE 12 H ILE 12 -4.084 -1.654 -1.654 77 HA ILE 12 HA ILE 12 -2.380 -3.494 -3.494 78 HB ILE 12 HB ILE 12 -1.802 -1.059 -1.059 79 1HG1 ILE 12 2HG1 ILE 12 0.643 -1.726 -1.726 80 2HG1 ILE 12 1HG1 ILE 12 0.129 -3.395 -3.395 81 1HG2 ILE 12 2HG2 ILE 12 -2.396 -1.628 -1.628 82 2HG2 ILE 12 1HG2 ILE 12 -0.853 -2.457 -2.457 83 3HG2 ILE 12 3HG2 ILE 12 -0.906 -0.740 -0.740 84 1HD1 ILE 12 1HD1 ILE 12 -0.622 -1.420 -1.420 85 2HD1 ILE 12 3HD1 ILE 12 0.970 -2.158 -2.158 86 3HD1 ILE 12 2HD1 ILE 12 -0.459 -3.167 -3.167 87 H ARG 13 H ARG 13 -4.151 -3.521 -3.521 88 HA ARG 13 HA ARG 13 -2.544 -5.678 -5.678 89 1HB ARG 13 2HB ARG 13 -4.216 -3.568 -3.568 90 2HB ARG 13 1HB ARG 13 -5.039 -5.049 -5.049 91 1HG ARG 13 2HG ARG 13 -2.122 -4.508 -4.508 92 2HG ARG 13 1HG ARG 13 -3.442 -4.255 -4.255 93 1HD ARG 13 2HD ARG 13 -3.039 -6.444 -6.444 94 2HD ARG 13 1HD ARG 13 -3.930 -6.875 -6.875 95 HE ARG 13 HE ARG 13 -1.269 -6.367 -6.367 96 1HH1 ARG 13 2HH1 ARG 13 -3.028 -8.531 -8.531 97 2HH1 ARG 13 1HH1 ARG 13 -1.898 -9.832 -9.832 98 1HH2 ARG 13 1HH2 ARG 13 0.182 -7.961 -7.961 99 2HH2 ARG 13 2HH2 ARG 13 -0.024 -9.496 -9.496 100 1HN CGU 14 HN GLA 14 -5.686 -5.038 -5.038 101 HA CGU 14 HA GLA 14 -6.539 -7.863 -7.863 102 1HB CGU 14 1HB GLA 14 -8.753 -6.950 -6.950 103 2HB CGU 14 2HB GLA 14 -8.029 -5.373 -5.373 104 HG CGU 14 HG GLA 14 -7.161 -6.290 -6.290 105 H LYS 15 H LYS 15 -6.323 -5.390 -5.390 106 HA LYS 15 HA LYS 15 -6.725 -7.425 -7.425 107 1HB LYS 15 2HB LYS 15 -7.291 -4.711 -4.711 108 2HB LYS 15 1HB LYS 15 -5.868 -4.680 -4.680 109 1HG LYS 15 2HG LYS 15 -6.892 -6.235 -6.235 110 2HG LYS 15 1HG LYS 15 -8.301 -6.418 -6.418 111 1HD LYS 15 2HD LYS 15 -7.421 -3.700 -3.700 112 2HD LYS 15 1HD LYS 15 -8.492 -4.746 -4.746 113 1HE LYS 15 2HE LYS 15 -9.954 -4.813 -4.813 114 2HE LYS 15 1HE LYS 15 -9.004 -3.421 -3.421 115 1HZ LYS 15 1HZ LYS 15 -10.488 -3.596 -3.596 116 2HZ LYS 15 3HZ LYS 15 -11.069 -2.844 -2.844 117 3HZ LYS 15 2HZ LYS 15 -9.689 -2.234 -2.234 118 H SER 16 H SER 16 -4.478 -7.827 -7.827 119 HA SER 16 HA SER 16 -2.389 -8.112 -8.112 120 1HB SER 16 2HB SER 16 -2.245 -5.768 -5.768 121 2HB SER 16 1HB SER 16 -1.292 -6.877 -6.877 122 HG SER 16 HG SER 16 0.058 -6.090 -6.090 123 H ASN 17 H ASN 17 -3.663 -8.576 -8.576 124 HA ASN 17 HA ASN 17 -3.579 -10.299 -10.299 125 1HB ASN 17 2HB ASN 17 -3.298 -11.559 -11.559 126 2HB ASN 17 1HB ASN 17 -2.189 -12.384 -12.384 127 1HD2 ASN 17 2HD2 ASN 17 -6.221 -12.643 -12.643 128 2HD2 ASN 17 1HD2 ASN 17 -5.597 -11.443 -11.443 129 1HN NH2 18 1HT ASN 17 -2.158 -9.828 -9.828 130 2HN NH2 18 2HT ASN 17 -0.477 -10.064 -10.064 Start of MODEL 2 1 1H GLY 1 3H GLY 1 0.529 12.093 12.093 2 2H GLY 1 2H GLY 1 2.139 12.461 12.461 3 3H GLY 1 1H GLY 1 1.300 11.282 11.282 4 1HA GLY 1 1HA GLY 1 2.818 10.259 10.259 5 2HA GLY 1 2HA GLY 1 2.019 11.140 11.140 6 H GLU 2 H GLU 2 1.519 9.166 9.166 7 HA GLU 2 HA GLU 2 -0.357 7.357 7.357 8 1HB GLU 2 2HB GLU 2 1.692 6.676 6.676 9 2HB GLU 2 1HB GLU 2 0.593 6.967 6.967 10 1HG GLU 2 2HG GLU 2 -0.680 5.331 5.331 11 2HG GLU 2 1HG GLU 2 0.801 4.602 4.602 12 1HN CGU 3 HN GLA 3 -0.381 9.871 9.871 13 HA CGU 3 HA GLA 3 -2.699 9.273 9.273 14 1HB CGU 3 1HB GLA 3 -2.653 11.523 11.523 15 2HB CGU 3 2HB GLA 3 -1.949 12.102 12.102 16 HG CGU 3 HG GLA 3 -0.317 10.126 10.126 17 1HN CGU 4 HN GLA 4 -2.254 10.398 10.398 18 HA CGU 4 HA GLA 4 -5.115 11.075 11.075 19 1HB CGU 4 1HB GLA 4 -3.868 12.842 12.842 20 2HB CGU 4 2HB GLA 4 -4.052 11.807 11.807 21 HG CGU 4 HG GLA 4 -1.784 10.730 10.730 22 H LEU 5 H LEU 5 -2.543 8.910 8.910 23 HA LEU 5 HA LEU 5 -4.202 7.409 7.409 24 1HB LEU 5 2HB LEU 5 -1.290 7.141 7.141 25 2HB LEU 5 1HB LEU 5 -2.016 6.124 6.124 26 HG LEU 5 HG LEU 5 -1.714 9.152 9.152 27 1HD1 LEU 5 1HD1 LEU 5 0.387 7.737 7.737 28 2HD1 LEU 5 3HD1 LEU 5 -0.385 7.026 7.026 29 3HD1 LEU 5 2HD1 LEU 5 -0.028 8.745 8.745 30 1HD2 LEU 5 1HD2 LEU 5 -3.025 7.187 7.187 31 2HD2 LEU 5 3HD2 LEU 5 -3.698 8.673 8.673 32 3HD2 LEU 5 2HD2 LEU 5 -2.425 8.745 8.745 33 H GLN 6 H GLN 6 -4.682 7.545 7.545 34 HA GLN 6 HA GLN 6 -4.006 5.061 5.061 35 1HB GLN 6 2HB GLN 6 -4.986 7.340 7.340 36 2HB GLN 6 1HB GLN 6 -6.540 6.597 6.597 37 1HG GLN 6 2HG GLN 6 -6.044 4.735 4.735 38 2HG GLN 6 1HG GLN 6 -4.368 5.245 5.245 39 1HE2 GLN 6 2HE2 GLN 6 -7.303 7.161 7.161 40 2HE2 GLN 6 1HE2 GLN 6 -7.710 6.074 6.074 41 1HN CGU 7 HN GLA 7 -6.250 5.941 5.941 42 HA CGU 7 HA GLA 7 -8.133 3.723 3.723 43 1HB CGU 7 1HB GLA 7 -9.230 4.671 4.671 44 2HB CGU 7 2HB GLA 7 -7.782 5.468 5.468 45 HG CGU 7 HG GLA 7 -8.936 6.206 6.206 46 H ASN 8 H ASN 8 -5.391 4.674 4.674 47 HA ASN 8 HA ASN 8 -5.336 2.399 2.399 48 1HB ASN 8 2HB ASN 8 -4.216 4.711 4.711 49 2HB ASN 8 1HB ASN 8 -2.984 4.177 4.177 50 1HD2 ASN 8 2HD2 ASN 8 -2.836 2.941 2.941 51 2HD2 ASN 8 1HD2 ASN 8 -3.989 4.063 4.063 52 H GLN 9 H GLN 9 -4.197 3.132 3.132 53 HA GLN 9 HA GLN 9 -2.284 1.007 1.007 54 1HB GLN 9 2HB GLN 9 -2.614 3.224 3.224 55 2HB GLN 9 1HB GLN 9 -3.842 2.343 2.343 56 1HG GLN 9 2HG GLN 9 -1.533 0.627 0.627 57 2HG GLN 9 1HG GLN 9 -0.936 2.234 2.234 58 1HE2 GLN 9 2HE2 GLN 9 -3.215 0.226 0.226 59 2HE2 GLN 9 1HE2 GLN 9 -2.999 -0.382 -0.382 60 1HN CGU 10 HN GLA 10 -5.603 0.971 0.971 61 HA CGU 10 HA GLA 10 -5.972 -1.457 -1.457 62 1HB CGU 10 1HB GLA 10 -7.857 0.356 0.356 63 2HB CGU 10 2HB GLA 10 -7.770 0.161 0.161 64 HG CGU 10 HG GLA 10 -8.245 -2.450 -2.450 65 H LEU 11 H LEU 11 -5.900 -0.266 -0.266 66 HA LEU 11 HA LEU 11 -6.731 -2.570 -2.570 67 1HB LEU 11 2HB LEU 11 -6.396 -1.212 -1.212 68 2HB LEU 11 1HB LEU 11 -5.864 -0.001 -0.001 69 HG LEU 11 HG LEU 11 -3.462 -0.903 -0.903 70 1HD1 LEU 11 3HD1 LEU 11 -4.956 -2.785 -2.785 71 2HD1 LEU 11 2HD1 LEU 11 -3.667 -1.974 -1.974 72 3HD1 LEU 11 1HD1 LEU 11 -3.304 -2.885 -2.885 73 1HD2 LEU 11 1HD2 LEU 11 -4.547 1.143 1.143 74 2HD2 LEU 11 3HD2 LEU 11 -3.150 0.470 0.470 75 3HD2 LEU 11 2HD2 LEU 11 -4.768 0.140 0.140 76 H ILE 12 H ILE 12 -3.574 -1.669 -1.669 77 HA ILE 12 HA ILE 12 -2.160 -3.900 -3.900 78 HB ILE 12 HB ILE 12 -0.944 -1.892 -1.892 79 1HG1 ILE 12 2HG1 ILE 12 -0.004 -4.029 -4.029 80 2HG1 ILE 12 1HG1 ILE 12 0.107 -4.297 -4.297 81 1HG2 ILE 12 2HG2 ILE 12 -1.818 -2.556 -2.556 82 2HG2 ILE 12 1HG2 ILE 12 -0.673 -1.297 -1.297 83 3HG2 ILE 12 3HG2 ILE 12 -2.333 -1.187 -1.187 84 1HD1 ILE 12 2HD1 ILE 12 1.406 -2.136 -2.136 85 2HD1 ILE 12 1HD1 ILE 12 1.407 -2.025 -2.025 86 3HD1 ILE 12 3HD1 ILE 12 2.217 -3.363 -3.363 87 H ARG 13 H ARG 13 -3.993 -3.441 -3.441 88 HA ARG 13 HA ARG 13 -3.090 -5.841 -5.841 89 1HB ARG 13 2HB ARG 13 -4.031 -3.936 -3.936 90 2HB ARG 13 1HB ARG 13 -5.573 -4.118 -4.118 91 1HG ARG 13 2HG ARG 13 -6.133 -6.078 -6.078 92 2HG ARG 13 1HG ARG 13 -4.466 -6.529 -6.529 93 1HD ARG 13 2HD ARG 13 -4.872 -4.081 -4.081 94 2HD ARG 13 1HD ARG 13 -6.267 -5.096 -5.096 95 HE ARG 13 HE ARG 13 -3.615 -5.526 -5.526 96 1HH1 ARG 13 1HH2 ARG 13 -6.351 -7.235 -7.235 97 2HH1 ARG 13 2HH2 ARG 13 -5.970 -8.696 -8.696 98 1HH2 ARG 13 2HH1 ARG 13 -3.125 -7.364 -7.364 99 2HH2 ARG 13 1HH1 ARG 13 -4.122 -8.772 -8.772 100 1HN CGU 14 HN GLA 14 -5.368 -5.234 -5.234 101 HA CGU 14 HA GLA 14 -7.222 -7.337 -7.337 102 1HB CGU 14 1HB GLA 14 -7.701 -7.152 -7.152 103 2HB CGU 14 2HB GLA 14 -6.190 -6.295 -6.295 104 HG CGU 14 HG GLA 14 -6.938 -4.465 -4.465 105 H LYS 15 H LYS 15 -3.958 -7.434 -7.434 106 HA LYS 15 HA LYS 15 -3.975 -9.984 -9.984 107 1HB LYS 15 2HB LYS 15 -1.981 -8.037 -8.037 108 2HB LYS 15 1HB LYS 15 -1.445 -9.643 -9.643 109 1HG LYS 15 2HG LYS 15 -2.382 -8.908 -8.908 110 2HG LYS 15 1HG LYS 15 -0.710 -8.789 -8.789 111 1HD LYS 15 2HD LYS 15 -0.774 -11.243 -11.243 112 2HD LYS 15 1HD LYS 15 -2.393 -11.334 -11.334 113 1HE LYS 15 2HE LYS 15 -1.372 -10.403 -10.403 114 2HE LYS 15 1HE LYS 15 0.196 -10.749 -10.749 115 1HZ LYS 15 1HZ LYS 15 -0.708 -13.058 -13.058 116 2HZ LYS 15 3HZ LYS 15 -1.964 -12.637 -12.637 117 3HZ LYS 15 2HZ LYS 15 -0.355 -12.625 -12.625 118 H SER 16 H SER 16 -3.528 -8.898 -8.898 119 HA SER 16 HA SER 16 -3.506 -11.650 -11.650 120 1HB SER 16 2HB SER 16 -1.806 -9.894 -9.894 121 2HB SER 16 1HB SER 16 -3.153 -8.970 -8.970 122 HG SER 16 HG SER 16 -3.673 -10.712 -10.712 123 H ASN 17 H ASN 17 -5.819 -10.822 -10.822 124 HA ASN 17 HA ASN 17 -7.776 -10.906 -10.906 125 1HB ASN 17 2HB ASN 17 -7.328 -8.468 -8.468 126 2HB ASN 17 1HB ASN 17 -8.355 -9.050 -9.050 127 1HD2 ASN 17 2HD2 ASN 17 -10.078 -7.717 -7.717 128 2HD2 ASN 17 1HD2 ASN 17 -8.474 -7.388 -7.388 129 1HN NH2 18 1HT ASN 17 -7.016 -11.389 -11.389 130 2HN NH2 18 2HT ASN 17 -8.293 -12.463 -12.463 Start of MODEL 3 1 1H GLY 1 2H GLY 1 0.777 11.578 11.578 2 2H GLY 1 1H GLY 1 -0.752 12.180 12.180 3 3H GLY 1 3H GLY 1 0.528 13.255 13.255 4 1HA GLY 1 1HA GLY 1 1.722 12.435 12.435 5 2HA GLY 1 2HA GLY 1 0.072 13.054 13.054 6 H GLU 2 H GLU 2 1.765 11.106 11.106 7 HA GLU 2 HA GLU 2 0.808 8.444 8.444 8 1HB GLU 2 2HB GLU 2 1.996 9.871 9.871 9 2HB GLU 2 1HB GLU 2 1.461 8.209 8.209 10 1HG GLU 2 2HG GLU 2 3.319 9.017 9.017 11 2HG GLU 2 1HG GLU 2 3.962 8.681 8.681 12 1HN CGU 3 HN GLA 3 -0.579 11.164 11.164 13 HA CGU 3 HA GLA 3 -2.586 9.956 9.956 14 1HB CGU 3 1HB GLA 3 -3.375 12.143 12.143 15 2HB CGU 3 2HB GLA 3 -2.881 12.705 12.705 16 HG CGU 3 HG GLA 3 -0.824 11.902 11.902 17 1HN CGU 4 HN GLA 4 -2.364 11.126 11.126 18 HA CGU 4 HA GLA 4 -5.158 10.641 10.641 19 1HB CGU 4 1HB GLA 4 -4.517 11.363 11.363 20 2HB CGU 4 2HB GLA 4 -2.826 11.023 11.023 21 HG CGU 4 HG GLA 4 -2.687 12.826 12.826 22 H LEU 5 H LEU 5 -2.087 9.078 9.078 23 HA LEU 5 HA LEU 5 -2.849 6.960 6.960 24 1HB LEU 5 2HB LEU 5 -0.614 7.367 7.367 25 2HB LEU 5 1HB LEU 5 -0.687 5.886 5.886 26 HG LEU 5 HG LEU 5 -0.773 8.615 8.615 27 1HD1 LEU 5 2HD1 LEU 5 1.692 6.912 6.912 28 2HD1 LEU 5 1HD1 LEU 5 1.655 8.356 8.356 29 3HD1 LEU 5 3HD1 LEU 5 1.351 8.477 8.477 30 1HD2 LEU 5 3HD2 LEU 5 -0.215 5.772 5.772 31 2HD2 LEU 5 2HD2 LEU 5 -1.489 6.853 6.853 32 3HD2 LEU 5 1HD2 LEU 5 0.177 7.176 7.176 33 H GLN 6 H GLN 6 -3.716 7.500 7.500 34 HA GLN 6 HA GLN 6 -3.855 4.796 4.796 35 1HB GLN 6 2HB GLN 6 -5.505 7.240 7.240 36 2HB GLN 6 1HB GLN 6 -5.429 5.744 5.744 37 1HG GLN 6 2HG GLN 6 -2.836 6.142 6.142 38 2HG GLN 6 1HG GLN 6 -3.252 7.769 7.769 39 1HE2 GLN 6 2HE2 GLN 6 -4.721 8.742 8.742 40 2HE2 GLN 6 1HE2 GLN 6 -4.762 9.026 9.026 41 1HN CGU 7 HN GLA 7 -5.610 6.438 6.438 42 HA CGU 7 HA GLA 7 -8.135 4.997 4.997 43 1HB CGU 7 1HB GLA 7 -7.680 7.389 7.389 44 2HB CGU 7 2HB GLA 7 -8.937 6.416 6.416 45 HG CGU 7 HG GLA 7 -6.170 6.244 6.244 46 H ASN 8 H ASN 8 -5.198 4.658 4.658 47 HA ASN 8 HA ASN 8 -6.243 2.432 2.432 48 1HB ASN 8 2HB ASN 8 -4.294 2.767 2.767 49 2HB ASN 8 1HB ASN 8 -4.727 4.381 4.381 50 1HD2 ASN 8 2HD2 ASN 8 -1.347 2.675 2.675 51 2HD2 ASN 8 1HD2 ASN 8 -2.572 1.660 1.660 52 H GLN 9 H GLN 9 -4.748 2.948 2.948 53 HA GLN 9 HA GLN 9 -2.866 0.928 0.928 54 1HB GLN 9 2HB GLN 9 -3.358 2.653 2.653 55 2HB GLN 9 1HB GLN 9 -4.958 1.998 1.998 56 1HG GLN 9 2HG GLN 9 -2.495 0.265 0.265 57 2HG GLN 9 1HG GLN 9 -3.036 1.382 1.382 58 1HE2 GLN 9 2HE2 GLN 9 -4.626 -2.099 -2.099 59 2HE2 GLN 9 1HE2 GLN 9 -3.037 -1.648 -1.648 60 1HN CGU 10 HN GLA 10 -6.326 0.744 0.744 61 HA CGU 10 HA GLA 10 -6.658 -1.893 -1.893 62 1HB CGU 10 1HB GLA 10 -8.886 -1.808 -1.808 63 2HB CGU 10 2HB GLA 10 -8.403 -0.380 -0.380 64 HG CGU 10 HG GLA 10 -7.767 -0.044 -0.044 65 H LEU 11 H LEU 11 -6.233 -0.738 -0.738 66 HA LEU 11 HA LEU 11 -6.600 -3.285 -3.285 67 1HB LEU 11 2HB LEU 11 -6.231 -2.098 -2.098 68 2HB LEU 11 1HB LEU 11 -6.458 -0.745 -0.745 69 HG LEU 11 HG LEU 11 -3.787 -0.907 -0.907 70 1HD1 LEU 11 1HD1 LEU 11 -4.355 -2.295 -2.295 71 2HD1 LEU 11 3HD1 LEU 11 -2.828 -1.507 -1.507 72 3HD1 LEU 11 2HD1 LEU 11 -3.334 -2.881 -2.881 73 1HD2 LEU 11 3HD2 LEU 11 -5.256 0.947 0.947 74 2HD2 LEU 11 2HD2 LEU 11 -3.595 0.845 0.845 75 3HD2 LEU 11 1HD2 LEU 11 -4.902 0.211 0.211 76 H ILE 12 H ILE 12 -3.910 -1.833 -1.833 77 HA ILE 12 HA ILE 12 -1.871 -3.610 -3.610 78 HB ILE 12 HB ILE 12 -1.771 -2.026 -2.026 79 1HG1 ILE 12 2HG1 ILE 12 -2.370 -0.414 -0.414 80 2HG1 ILE 12 1HG1 ILE 12 -0.686 -0.188 -0.188 81 1HG2 ILE 12 1HG2 ILE 12 0.351 -3.246 -3.246 82 2HG2 ILE 12 3HG2 ILE 12 0.735 -1.963 -1.963 83 3HG2 ILE 12 2HG2 ILE 12 0.098 -3.489 -3.489 84 1HD1 ILE 12 1HD1 ILE 12 -0.044 -1.545 -1.545 85 2HD1 ILE 12 3HD1 ILE 12 -1.744 -1.660 -1.660 86 3HD1 ILE 12 2HD1 ILE 12 -0.951 -0.097 -0.097 87 H ARG 13 H ARG 13 -3.652 -3.440 -3.440 88 HA ARG 13 HA ARG 13 -2.537 -5.917 -5.917 89 1HB ARG 13 2HB ARG 13 -4.287 -5.662 -5.662 90 2HB ARG 13 1HB ARG 13 -3.354 -4.195 -4.195 91 1HG ARG 13 2HG ARG 13 -5.085 -3.139 -3.139 92 2HG ARG 13 1HG ARG 13 -5.995 -4.622 -4.622 93 1HD ARG 13 2HD ARG 13 -5.651 -4.137 -4.137 94 2HD ARG 13 1HD ARG 13 -6.290 -2.693 -2.693 95 HE ARG 13 HE ARG 13 -7.691 -4.998 -4.998 96 1HH1 ARG 13 1HH2 ARG 13 -7.319 -2.922 -2.922 97 2HH1 ARG 13 2HH2 ARG 13 -8.931 -3.196 -3.196 98 1HH2 ARG 13 2HH1 ARG 13 -9.734 -5.361 -5.361 99 2HH2 ARG 13 1HH1 ARG 13 -10.324 -4.601 -4.601 100 1HN CGU 14 HN GLA 14 -5.086 -5.151 -5.151 101 HA CGU 14 HA GLA 14 -6.811 -7.390 -7.390 102 1HB CGU 14 1HB GLA 14 -7.068 -6.774 -6.774 103 2HB CGU 14 2HB GLA 14 -6.360 -5.309 -5.309 104 HG CGU 14 HG GLA 14 -8.174 -5.428 -5.428 105 H LYS 15 H LYS 15 -3.812 -7.002 -7.002 106 HA LYS 15 HA LYS 15 -3.958 -9.465 -9.465 107 1HB LYS 15 2HB LYS 15 -1.884 -7.360 -7.360 108 2HB LYS 15 1HB LYS 15 -1.288 -8.916 -8.916 109 1HG LYS 15 2HG LYS 15 -3.517 -7.540 -7.540 110 2HG LYS 15 1HG LYS 15 -1.857 -7.060 -7.060 111 1HD LYS 15 2HD LYS 15 -2.476 -10.022 -10.022 112 2HD LYS 15 1HD LYS 15 -3.009 -9.036 -9.036 113 1HE LYS 15 2HE LYS 15 -0.805 -9.846 -9.846 114 2HE LYS 15 1HE LYS 15 -0.616 -8.142 -8.142 115 1HZ LYS 15 1HZ LYS 15 -0.240 -10.249 -10.249 116 2HZ LYS 15 3HZ LYS 15 1.020 -9.739 -9.739 117 3HZ LYS 15 2HZ LYS 15 0.283 -8.634 -8.634 118 H SER 16 H SER 16 -1.436 -8.735 -8.735 119 HA SER 16 HA SER 16 -0.344 -10.043 -10.043 120 1HB SER 16 2HB SER 16 -2.673 -9.504 -9.504 121 2HB SER 16 1HB SER 16 -3.088 -11.190 -11.190 122 HG SER 16 HG SER 16 -1.348 -11.853 -11.853 123 H ASN 17 H ASN 17 -0.977 -11.269 -11.269 124 HA ASN 17 HA ASN 17 -0.646 -13.243 -13.243 125 1HB ASN 17 2HB ASN 17 0.886 -14.027 -14.027 126 2HB ASN 17 1HB ASN 17 1.050 -14.789 -14.789 127 1HD2 ASN 17 2HD2 ASN 17 3.238 -12.337 -12.337 128 2HD2 ASN 17 1HD2 ASN 17 2.459 -13.822 -13.822 129 1HN NH2 18 1HT ASN 17 -0.646 -15.132 -15.132 130 2HN NH2 18 2HT ASN 17 -2.140 -15.883 -15.883 Start of MODEL 4 1 1H GLY 1 2H GLY 1 -1.049 10.334 10.334 2 2H GLY 1 1H GLY 1 -0.159 11.425 11.425 3 3H GLY 1 3H GLY 1 0.645 10.386 10.386 4 1HA GLY 1 1HA GLY 1 0.582 12.555 12.555 5 2HA GLY 1 2HA GLY 1 -1.217 12.541 12.541 6 H GLU 2 H GLU 2 -0.662 13.092 13.092 7 HA GLU 2 HA GLU 2 -0.373 10.597 10.597 8 1HB GLU 2 2HB GLU 2 -0.361 12.274 12.274 9 2HB GLU 2 1HB GLU 2 0.972 12.399 12.399 10 1HG GLU 2 2HG GLU 2 0.137 14.642 14.642 11 2HG GLU 2 1HG GLU 2 -0.105 14.343 14.343 12 1HN CGU 3 HN GLA 3 -2.755 12.478 12.478 13 HA CGU 3 HA GLA 3 -4.807 12.272 12.272 14 1HB CGU 3 1HB GLA 3 -5.019 14.060 14.060 15 2HB CGU 3 2HB GLA 3 -6.262 12.955 12.955 16 HG CGU 3 HG GLA 3 -3.799 12.227 12.227 17 1HN CGU 4 HN GLA 4 -4.391 10.564 10.564 18 HA CGU 4 HA GLA 4 -6.479 8.644 8.644 19 1HB CGU 4 1HB GLA 4 -6.131 9.650 9.650 20 2HB CGU 4 2HB GLA 4 -6.533 7.978 7.978 21 HG CGU 4 HG GLA 4 -4.723 8.777 8.777 22 H LEU 5 H LEU 5 -3.429 8.896 8.896 23 HA LEU 5 HA LEU 5 -2.179 6.425 6.425 24 1HB LEU 5 2HB LEU 5 -0.601 7.097 7.097 25 2HB LEU 5 1HB LEU 5 -1.387 8.611 8.611 26 HG LEU 5 HG LEU 5 -2.902 8.135 8.135 27 1HD1 LEU 5 1HD1 LEU 5 -1.186 5.717 5.717 28 2HD1 LEU 5 3HD1 LEU 5 -1.140 6.589 6.589 29 3HD1 LEU 5 2HD1 LEU 5 -2.672 6.047 6.047 30 1HD2 LEU 5 2HD2 LEU 5 -0.691 9.624 9.624 31 2HD2 LEU 5 1HD2 LEU 5 -1.404 9.289 9.289 32 3HD2 LEU 5 3HD2 LEU 5 -0.010 8.383 8.383 33 H GLN 6 H GLN 6 -4.691 7.236 7.236 34 HA GLN 6 HA GLN 6 -4.615 4.736 4.736 35 1HB GLN 6 2HB GLN 6 -6.154 7.224 7.224 36 2HB GLN 6 1HB GLN 6 -7.267 5.871 5.871 37 1HG GLN 6 2HG GLN 6 -5.958 4.870 4.870 38 2HG GLN 6 1HG GLN 6 -4.940 6.305 6.305 39 1HE2 GLN 6 2HE2 GLN 6 -8.570 6.391 6.391 40 2HE2 GLN 6 1HE2 GLN 6 -7.937 4.976 4.976 41 1HN CGU 7 HN GLA 7 -6.582 6.010 6.010 42 HA CGU 7 HA GLA 7 -8.266 3.740 3.740 43 1HB CGU 7 1HB GLA 7 -8.913 4.755 4.755 44 2HB CGU 7 2HB GLA 7 -7.378 5.573 5.573 45 HG CGU 7 HG GLA 7 -7.864 7.099 7.099 46 H ASN 8 H ASN 8 -5.088 4.520 4.520 47 HA ASN 8 HA ASN 8 -4.925 2.285 2.285 48 1HB ASN 8 2HB ASN 8 -3.455 4.672 4.672 49 2HB ASN 8 1HB ASN 8 -2.327 3.411 3.411 50 1HD2 ASN 8 2HD2 ASN 8 -1.860 2.275 2.275 51 2HD2 ASN 8 1HD2 ASN 8 -1.426 2.146 2.146 52 H GLN 9 H GLN 9 -3.943 2.935 2.935 53 HA GLN 9 HA GLN 9 -2.221 0.693 0.693 54 1HB GLN 9 2HB GLN 9 -2.239 2.524 2.524 55 2HB GLN 9 1HB GLN 9 -3.943 2.286 2.286 56 1HG GLN 9 2HG GLN 9 -3.374 -0.032 -0.032 57 2HG GLN 9 1HG GLN 9 -1.674 0.348 0.348 58 1HE2 GLN 9 2HE2 GLN 9 -1.463 2.231 2.231 59 2HE2 GLN 9 1HE2 GLN 9 -0.659 1.559 1.559 60 1HN CGU 10 HN GLA 10 -5.628 1.114 1.114 61 HA CGU 10 HA GLA 10 -6.117 -1.558 -1.558 62 1HB CGU 10 1HB GLA 10 -8.573 -0.741 -0.741 63 2HB CGU 10 2HB GLA 10 -7.749 0.800 0.800 64 HG CGU 10 HG GLA 10 -8.096 -1.110 -1.110 65 H LEU 11 H LEU 11 -5.943 -0.191 -0.191 66 HA LEU 11 HA LEU 11 -7.273 -2.450 -2.450 67 1HB LEU 11 2HB LEU 11 -7.395 -0.821 -0.821 68 2HB LEU 11 1HB LEU 11 -6.301 0.198 0.198 69 HG LEU 11 HG LEU 11 -4.382 -1.141 -1.141 70 1HD1 LEU 11 2HD1 LEU 11 -6.141 -2.962 -2.962 71 2HD1 LEU 11 1HD1 LEU 11 -6.356 -1.837 -1.837 72 3HD1 LEU 11 3HD1 LEU 11 -4.772 -2.527 -2.527 73 1HD2 LEU 11 3HD2 LEU 11 -6.185 0.613 0.613 74 2HD2 LEU 11 2HD2 LEU 11 -4.801 1.120 1.120 75 3HD2 LEU 11 1HD2 LEU 11 -4.558 0.145 0.145 76 H ILE 12 H ILE 12 -3.985 -1.376 -1.376 77 HA ILE 12 HA ILE 12 -2.662 -3.575 -3.575 78 HB ILE 12 HB ILE 12 -1.930 -1.159 -1.159 79 1HG1 ILE 12 2HG1 ILE 12 0.248 -1.571 -1.571 80 2HG1 ILE 12 1HG1 ILE 12 -0.713 -2.801 -2.801 81 1HG2 ILE 12 2HG2 ILE 12 -0.139 -3.574 -3.574 82 2HG2 ILE 12 1HG2 ILE 12 0.255 -1.916 -1.916 83 3HG2 ILE 12 3HG2 ILE 12 -1.049 -2.736 -2.736 84 1HD1 ILE 12 3HD1 ILE 12 -2.467 -0.660 -0.660 85 2HD1 ILE 12 2HD1 ILE 12 -0.924 0.157 0.157 86 3HD1 ILE 12 1HD1 ILE 12 -1.375 -1.030 -1.030 87 H ARG 13 H ARG 13 -4.073 -3.081 -3.081 88 HA ARG 13 HA ARG 13 -2.815 -5.196 -5.196 89 1HB ARG 13 2HB ARG 13 -4.076 -3.299 -3.299 90 2HB ARG 13 1HB ARG 13 -5.563 -3.924 -3.924 91 1HG ARG 13 2HG ARG 13 -5.402 -5.965 -5.965 92 2HG ARG 13 1HG ARG 13 -3.830 -5.484 -5.484 93 1HD ARG 13 2HD ARG 13 -4.761 -3.701 -3.701 94 2HD ARG 13 1HD ARG 13 -6.260 -3.688 -3.688 95 HE ARG 13 HE ARG 13 -5.900 -6.230 -6.230 96 1HH1 ARG 13 2HH1 ARG 13 -6.747 -2.915 -2.915 97 2HH1 ARG 13 1HH1 ARG 13 -7.749 -3.271 -3.271 98 1HH2 ARG 13 1HH2 ARG 13 -7.160 -6.713 -6.713 99 2HH2 ARG 13 2HH2 ARG 13 -7.980 -5.453 -5.453 100 1HN CGU 14 HN GLA 14 -5.689 -5.042 -5.042 101 HA CGU 14 HA GLA 14 -6.508 -7.786 -7.786 102 1HB CGU 14 1HB GLA 14 -8.233 -7.348 -7.348 103 2HB CGU 14 2HB GLA 14 -7.416 -5.869 -5.869 104 HG CGU 14 HG GLA 14 -7.707 -5.027 -5.027 105 H LYS 15 H LYS 15 -5.452 -6.207 -6.207 106 HA LYS 15 HA LYS 15 -4.956 -8.738 -8.738 107 1HB LYS 15 2HB LYS 15 -4.137 -7.377 -7.377 108 2HB LYS 15 1HB LYS 15 -5.624 -6.708 -6.708 109 1HG LYS 15 2HG LYS 15 -4.539 -4.723 -4.723 110 2HG LYS 15 1HG LYS 15 -3.726 -5.361 -5.361 111 1HD LYS 15 2HD LYS 15 -1.773 -5.895 -5.895 112 2HD LYS 15 1HD LYS 15 -2.570 -5.972 -5.972 113 1HE LYS 15 2HE LYS 15 -2.579 -3.662 -3.662 114 2HE LYS 15 1HE LYS 15 -2.569 -3.325 -3.325 115 1HZ LYS 15 1HZ LYS 15 -0.261 -4.395 -4.395 116 2HZ LYS 15 3HZ LYS 15 -0.339 -4.109 -4.109 117 3HZ LYS 15 2HZ LYS 15 -0.450 -2.810 -2.810 118 H SER 16 H SER 16 -3.186 -7.170 -7.170 119 HA SER 16 HA SER 16 -1.007 -7.315 -7.315 120 1HB SER 16 2HB SER 16 -1.580 -9.747 -9.747 121 2HB SER 16 1HB SER 16 -1.011 -9.931 -9.931 122 HG SER 16 HG SER 16 1.015 -9.359 -9.359 123 H ASN 17 H ASN 17 0.085 -9.014 -9.014 124 HA ASN 17 HA ASN 17 1.958 -6.856 -6.856 125 1HB ASN 17 2HB ASN 17 1.533 -9.542 -9.542 126 2HB ASN 17 1HB ASN 17 2.923 -8.478 -8.478 127 1HD2 ASN 17 2HD2 ASN 17 4.488 -9.581 -9.581 128 2HD2 ASN 17 1HD2 ASN 17 4.532 -8.504 -8.504 129 1HN NH2 18 1HT ASN 17 -0.773 -8.484 -8.484 130 2HN NH2 18 2HT ASN 17 -0.979 -7.275 -7.275 Start of MODEL 5 1 1H GLY 1 2H GLY 1 2.587 7.210 7.210 2 2H GLY 1 1H GLY 1 1.371 8.399 8.399 3 3H GLY 1 3H GLY 1 2.872 8.669 8.669 4 1HA GLY 1 1HA GLY 1 3.974 8.638 8.638 5 2HA GLY 1 2HA GLY 1 2.665 9.885 9.885 6 H GLU 2 H GLU 2 3.637 8.987 8.987 7 HA GLU 2 HA GLU 2 1.933 6.841 6.841 8 1HB GLU 2 2HB GLU 2 4.036 8.660 8.660 9 2HB GLU 2 1HB GLU 2 2.973 7.806 7.806 10 1HG GLU 2 2HG GLU 2 3.852 5.869 5.869 11 2HG GLU 2 1HG GLU 2 5.268 6.793 6.793 12 1HN CGU 3 HN GLA 3 1.774 10.265 10.265 13 HA CGU 3 HA GLA 3 -0.047 10.841 10.841 14 1HB CGU 3 1HB GLA 3 -0.174 12.970 12.970 15 2HB CGU 3 2HB GLA 3 -0.205 12.414 12.414 16 HG CGU 3 HG GLA 3 1.840 13.705 13.705 17 1HN CGU 4 HN GLA 4 -0.487 9.674 9.674 18 HA CGU 4 HA GLA 4 -3.456 9.716 9.716 19 1HB CGU 4 1HB GLA 4 -2.493 10.805 10.805 20 2HB CGU 4 2HB GLA 4 -3.448 9.413 9.413 21 HG CGU 4 HG GLA 4 -0.815 8.430 8.430 22 H LEU 5 H LEU 5 -1.119 7.665 7.665 23 HA LEU 5 HA LEU 5 -1.935 5.230 5.230 24 1HB LEU 5 2HB LEU 5 -0.325 4.149 4.149 25 2HB LEU 5 1HB LEU 5 0.273 5.775 5.775 26 HG LEU 5 HG LEU 5 -1.057 6.077 6.077 27 1HD1 LEU 5 3HD1 LEU 5 -1.290 3.132 3.132 28 2HD1 LEU 5 2HD1 LEU 5 -0.742 3.568 3.568 29 3HD1 LEU 5 1HD1 LEU 5 -2.258 4.188 4.188 30 1HD2 LEU 5 2HD2 LEU 5 1.616 5.000 5.000 31 2HD2 LEU 5 1HD2 LEU 5 1.159 6.229 6.229 32 3HD2 LEU 5 3HD2 LEU 5 1.089 4.542 4.542 33 H GLN 6 H GLN 6 -3.185 6.993 6.993 34 HA GLN 6 HA GLN 6 -4.414 5.031 5.031 35 1HB GLN 6 2HB GLN 6 -5.541 7.755 7.755 36 2HB GLN 6 1HB GLN 6 -6.072 6.823 6.823 37 1HG GLN 6 2HG GLN 6 -3.916 7.028 7.028 38 2HG GLN 6 1HG GLN 6 -3.159 7.691 7.691 39 1HE2 GLN 6 2HE2 GLN 6 -4.289 10.349 10.349 40 2HE2 GLN 6 1HE2 GLN 6 -3.586 8.829 8.829 41 1HN CGU 7 HN GLA 7 -5.806 6.564 6.564 42 HA CGU 7 HA GLA 7 -8.212 4.945 4.945 43 1HB CGU 7 1HB GLA 7 -8.196 7.149 7.149 44 2HB CGU 7 2HB GLA 7 -8.625 5.945 5.945 45 HG CGU 7 HG GLA 7 -5.734 6.220 6.220 46 H ASN 8 H ASN 8 -5.047 4.634 4.634 47 HA ASN 8 HA ASN 8 -5.762 2.296 2.296 48 1HB ASN 8 2HB ASN 8 -3.043 3.602 3.602 49 2HB ASN 8 1HB ASN 8 -3.393 2.372 2.372 50 1HD2 ASN 8 2HD2 ASN 8 -4.961 4.639 4.639 51 2HD2 ASN 8 1HD2 ASN 8 -4.821 3.002 3.002 52 H GLN 9 H GLN 9 -5.144 2.773 2.773 53 HA GLN 9 HA GLN 9 -3.262 0.694 0.694 54 1HB GLN 9 2HB GLN 9 -4.030 2.658 2.658 55 2HB GLN 9 1HB GLN 9 -5.400 1.647 1.647 56 1HG GLN 9 2HG GLN 9 -3.972 -0.058 -0.058 57 2HG GLN 9 1HG GLN 9 -2.527 0.643 0.643 58 1HE2 GLN 9 2HE2 GLN 9 -4.220 2.711 2.711 59 2HE2 GLN 9 1HE2 GLN 9 -5.233 1.944 1.944 60 1HN CGU 10 HN GLA 10 -6.781 0.698 0.698 61 HA CGU 10 HA GLA 10 -6.965 -1.996 -1.996 62 1HB CGU 10 1HB GLA 10 -9.149 -1.076 -1.076 63 2HB CGU 10 2HB GLA 10 -8.827 0.025 0.025 64 HG CGU 10 HG GLA 10 -9.146 -2.936 -2.936 65 H LEU 11 H LEU 11 -7.036 -0.705 -0.705 66 HA LEU 11 HA LEU 11 -7.229 -3.307 -3.307 67 1HB LEU 11 2HB LEU 11 -6.754 -2.177 -2.177 68 2HB LEU 11 1HB LEU 11 -7.874 -1.230 -1.230 69 HG LEU 11 HG LEU 11 -5.702 0.036 0.036 70 1HD1 LEU 11 3HD1 LEU 11 -4.669 -1.623 -1.623 71 2HD1 LEU 11 2HD1 LEU 11 -4.249 0.074 0.074 72 3HD1 LEU 11 1HD1 LEU 11 -3.786 -0.857 -0.857 73 1HD2 LEU 11 3HD2 LEU 11 -6.883 0.401 0.401 74 2HD2 LEU 11 2HD2 LEU 11 -7.503 1.095 1.095 75 3HD2 LEU 11 1HD2 LEU 11 -5.955 1.616 1.616 76 H ILE 12 H ILE 12 -4.463 -1.584 -1.584 77 HA ILE 12 HA ILE 12 -2.601 -3.297 -3.297 78 HB ILE 12 HB ILE 12 -2.183 -0.795 -0.795 79 1HG1 ILE 12 2HG1 ILE 12 0.346 -1.398 -1.398 80 2HG1 ILE 12 1HG1 ILE 12 -0.180 -3.050 -3.050 81 1HG2 ILE 12 2HG2 ILE 12 -2.699 -1.169 -1.169 82 2HG2 ILE 12 1HG2 ILE 12 -1.093 -1.856 -1.856 83 3HG2 ILE 12 3HG2 ILE 12 -1.300 -0.189 -0.189 84 1HD1 ILE 12 2HD1 ILE 12 -0.572 -0.842 -0.842 85 2HD1 ILE 12 1HD1 ILE 12 0.701 -2.049 -2.049 86 3HD1 ILE 12 3HD1 ILE 12 -0.975 -2.538 -2.538 87 H ARG 13 H ARG 13 -3.920 -3.068 -3.068 88 HA ARG 13 HA ARG 13 -2.011 -5.007 -5.007 89 1HB ARG 13 2HB ARG 13 -4.660 -3.950 -3.950 90 2HB ARG 13 1HB ARG 13 -3.560 -4.984 -4.984 91 1HG ARG 13 2HG ARG 13 -2.726 -2.241 -2.241 92 2HG ARG 13 1HG ARG 13 -3.323 -2.493 -2.493 93 1HD ARG 13 2HD ARG 13 -0.913 -3.975 -3.975 94 2HD ARG 13 1HD ARG 13 -0.757 -2.491 -2.491 95 HE ARG 13 HE ARG 13 -1.889 -5.035 -5.035 96 1HH1 ARG 13 1HH2 ARG 13 -0.421 -1.882 -1.882 97 2HH1 ARG 13 2HH2 ARG 13 -0.267 -2.140 -2.140 98 1HH2 ARG 13 2HH1 ARG 13 -1.626 -5.333 -5.333 99 2HH2 ARG 13 1HH1 ARG 13 -0.923 -4.114 -4.114 100 1HN CGU 14 HN GLA 14 -5.170 -4.974 -4.974 101 HA CGU 14 HA GLA 14 -5.713 -7.804 -7.804 102 1HB CGU 14 1HB GLA 14 -7.730 -7.389 -7.389 103 2HB CGU 14 2HB GLA 14 -7.170 -5.747 -5.747 104 HG CGU 14 HG GLA 14 -7.312 -5.433 -5.433 105 H LYS 15 H LYS 15 -4.761 -5.909 -5.909 106 HA LYS 15 HA LYS 15 -4.653 -8.347 -8.347 107 1HB LYS 15 2HB LYS 15 -5.446 -5.949 -5.949 108 2HB LYS 15 1HB LYS 15 -3.735 -5.592 -5.592 109 1HG LYS 15 2HG LYS 15 -3.840 -7.983 -7.983 110 2HG LYS 15 1HG LYS 15 -5.472 -7.416 -7.416 111 1HD LYS 15 2HD LYS 15 -4.398 -6.448 -6.448 112 2HD LYS 15 1HD LYS 15 -4.293 -5.131 -5.131 113 1HE LYS 15 2HE LYS 15 -2.041 -7.157 -7.157 114 2HE LYS 15 1HE LYS 15 -2.129 -6.000 -6.000 115 1HZ LYS 15 1HZ LYS 15 -2.414 -4.300 -4.300 116 2HZ LYS 15 3HZ LYS 15 -1.717 -5.514 -5.514 117 3HZ LYS 15 2HZ LYS 15 -0.871 -4.903 -4.903 118 H SER 16 H SER 16 -2.925 -8.400 -8.400 119 HA SER 16 HA SER 16 -0.202 -7.902 -7.902 120 1HB SER 16 2HB SER 16 0.480 -8.459 -8.459 121 2HB SER 16 1HB SER 16 -0.587 -7.055 -7.055 122 HG SER 16 HG SER 16 -1.134 -9.654 -9.654 123 H ASN 17 H ASN 17 -1.122 -9.734 -9.734 124 HA ASN 17 HA ASN 17 -0.990 -11.930 -11.930 125 1HB ASN 17 2HB ASN 17 1.460 -11.594 -11.594 126 2HB ASN 17 1HB ASN 17 1.167 -13.138 -13.138 127 1HD2 ASN 17 2HD2 ASN 17 1.825 -9.897 -9.897 128 2HD2 ASN 17 1HD2 ASN 17 0.995 -9.663 -9.663 129 1HN NH2 18 1HT ASN 17 -2.895 -11.624 -11.624 130 2HN NH2 18 2HT ASN 17 -2.961 -13.069 -13.069 Start of MODEL 6 1 1H GLY 1 2H GLY 1 -1.754 9.237 9.237 2 2H GLY 1 1H GLY 1 -3.174 10.144 10.144 3 3H GLY 1 3H GLY 1 -2.191 10.420 10.420 4 1HA GLY 1 1HA GLY 1 -0.428 11.187 11.187 5 2HA GLY 1 2HA GLY 1 -1.962 12.121 12.121 6 H GLU 2 H GLU 2 -0.904 12.698 12.698 7 HA GLU 2 HA GLU 2 -0.304 10.801 10.801 8 1HB GLU 2 2HB GLU 2 -1.020 13.744 13.744 9 2HB GLU 2 1HB GLU 2 -0.951 12.930 12.930 10 1HG GLU 2 2HG GLU 2 1.311 13.068 13.068 11 2HG GLU 2 1HG GLU 2 1.237 13.964 13.964 12 1HN CGU 3 HN GLA 3 -3.223 12.298 12.298 13 HA CGU 3 HA GLA 3 -4.968 11.570 11.570 14 1HB CGU 3 1HB GLA 3 -5.733 13.242 13.242 15 2HB CGU 3 2HB GLA 3 -6.733 11.875 11.875 16 HG CGU 3 HG GLA 3 -4.275 11.805 11.805 17 1HN CGU 4 HN GLA 4 -4.407 10.140 10.140 18 HA CGU 4 HA GLA 4 -5.948 7.785 7.785 19 1HB CGU 4 1HB GLA 4 -3.994 7.348 7.348 20 2HB CGU 4 2HB GLA 4 -4.458 9.029 9.029 21 HG CGU 4 HG GLA 4 -6.863 8.312 8.312 22 H LEU 5 H LEU 5 -2.821 8.660 8.660 23 HA LEU 5 HA LEU 5 -1.566 6.088 6.088 24 1HB LEU 5 2HB LEU 5 -0.973 8.777 8.777 25 2HB LEU 5 1HB LEU 5 -0.523 7.643 7.643 26 HG LEU 5 HG LEU 5 0.291 7.245 7.245 27 1HD1 LEU 5 2HD1 LEU 5 1.724 8.800 8.800 28 2HD1 LEU 5 1HD1 LEU 5 2.528 8.218 8.218 29 3HD1 LEU 5 3HD1 LEU 5 1.230 9.387 9.387 30 1HD2 LEU 5 3HD2 LEU 5 0.444 5.277 5.277 31 2HD2 LEU 5 2HD2 LEU 5 2.015 5.786 5.786 32 3HD2 LEU 5 1HD2 LEU 5 1.507 6.219 6.219 33 H GLN 6 H GLN 6 -3.878 7.616 7.616 34 HA GLN 6 HA GLN 6 -3.661 5.588 5.588 35 1HB GLN 6 2HB GLN 6 -4.037 8.187 8.187 36 2HB GLN 6 1HB GLN 6 -5.695 7.842 7.842 37 1HG GLN 6 2HG GLN 6 -5.531 7.735 7.735 38 2HG GLN 6 1HG GLN 6 -5.738 6.087 6.087 39 1HE2 GLN 6 2HE2 GLN 6 -2.023 7.240 7.240 40 2HE2 GLN 6 1HE2 GLN 6 -3.048 8.397 8.397 41 1HN CGU 7 HN GLA 7 -5.720 6.664 6.664 42 HA CGU 7 HA GLA 7 -7.995 4.996 4.996 43 1HB CGU 7 1HB GLA 7 -8.674 5.550 5.550 44 2HB CGU 7 2HB GLA 7 -7.096 6.259 6.259 45 HG CGU 7 HG GLA 7 -7.692 7.709 7.709 46 H ASN 8 H ASN 8 -5.018 4.449 4.449 47 HA ASN 8 HA ASN 8 -5.973 1.959 1.959 48 1HB ASN 8 2HB ASN 8 -3.957 1.966 1.966 49 2HB ASN 8 1HB ASN 8 -4.177 3.683 3.683 50 1HD2 ASN 8 2HD2 ASN 8 -1.098 1.705 1.705 51 2HD2 ASN 8 1HD2 ASN 8 -2.329 0.840 0.840 52 H GLN 9 H GLN 9 -4.809 2.889 2.889 53 HA GLN 9 HA GLN 9 -3.164 0.675 0.675 54 1HB GLN 9 2HB GLN 9 -3.380 2.837 2.837 55 2HB GLN 9 1HB GLN 9 -5.001 2.393 2.393 56 1HG GLN 9 2HG GLN 9 -3.063 0.276 0.276 57 2HG GLN 9 1HG GLN 9 -2.613 1.826 1.826 58 1HE2 GLN 9 2HE2 GLN 9 -5.822 -0.138 -0.138 59 2HE2 GLN 9 1HE2 GLN 9 -4.889 -0.792 -0.792 60 1HN CGU 10 HN GLA 10 -6.368 0.746 0.746 61 HA CGU 10 HA GLA 10 -7.129 -1.619 -1.619 62 1HB CGU 10 1HB GLA 10 -9.404 -1.165 -1.165 63 2HB CGU 10 2HB GLA 10 -8.669 0.233 0.233 64 HG CGU 10 HG GLA 10 -9.051 -0.225 -0.225 65 H LEU 11 H LEU 11 -6.898 -0.567 -0.567 66 HA LEU 11 HA LEU 11 -7.400 -3.237 -3.237 67 1HB LEU 11 2HB LEU 11 -7.122 -2.299 -2.299 68 2HB LEU 11 1HB LEU 11 -7.779 -0.997 -0.997 69 HG LEU 11 HG LEU 11 -5.208 -0.328 -0.328 70 1HD1 LEU 11 3HD1 LEU 11 -5.177 -2.254 -2.254 71 2HD1 LEU 11 2HD1 LEU 11 -4.159 -0.828 -0.828 72 3HD1 LEU 11 1HD1 LEU 11 -3.946 -1.972 -1.972 73 1HD2 LEU 11 1HD2 LEU 11 -6.740 0.132 0.132 74 2HD2 LEU 11 3HD2 LEU 11 -6.931 1.070 1.070 75 3HD2 LEU 11 2HD2 LEU 11 -5.418 1.130 1.130 76 H ILE 12 H ILE 12 -4.647 -1.659 -1.659 77 HA ILE 12 HA ILE 12 -2.658 -3.234 -3.234 78 HB ILE 12 HB ILE 12 -2.379 -0.930 -0.930 79 1HG1 ILE 12 2HG1 ILE 12 -0.236 -3.064 -3.064 80 2HG1 ILE 12 1HG1 ILE 12 -0.589 -2.314 -2.314 81 1HG2 ILE 12 2HG2 ILE 12 -3.190 -2.075 -2.075 82 2HG2 ILE 12 1HG2 ILE 12 -1.580 -2.764 -2.764 83 3HG2 ILE 12 3HG2 ILE 12 -1.789 -1.024 -1.024 84 1HD1 ILE 12 2HD1 ILE 12 -0.166 -0.050 -0.050 85 2HD1 ILE 12 1HD1 ILE 12 0.423 -0.921 -0.921 86 3HD1 ILE 12 3HD1 ILE 12 1.245 -1.087 -1.087 87 H ARG 13 H ARG 13 -4.754 -3.679 -3.679 88 HA ARG 13 HA ARG 13 -3.348 -5.680 -5.680 89 1HB ARG 13 2HB ARG 13 -5.527 -4.563 -4.563 90 2HB ARG 13 1HB ARG 13 -6.369 -5.532 -5.532 91 1HG ARG 13 2HG ARG 13 -4.640 -6.866 -6.866 92 2HG ARG 13 1HG ARG 13 -6.261 -6.346 -6.346 93 1HD ARG 13 2HD ARG 13 -6.995 -8.350 -8.350 94 2HD ARG 13 1HD ARG 13 -6.615 -7.738 -7.738 95 HE ARG 13 HE ARG 13 -4.292 -8.846 -8.846 96 1HH1 ARG 13 1HH2 ARG 13 -7.074 -9.552 -9.552 97 2HH1 ARG 13 2HH2 ARG 13 -6.398 -11.008 -11.008 98 1HH2 ARG 13 2HH1 ARG 13 -3.414 -10.678 -10.678 99 2HH2 ARG 13 1HH1 ARG 13 -4.288 -11.658 -11.658 100 1HN CGU 14 HN GLA 14 -5.675 -5.924 -5.924 101 HA CGU 14 HA GLA 14 -5.618 -8.723 -8.723 102 1HB CGU 14 1HB GLA 14 -6.510 -8.090 -8.090 103 2HB CGU 14 2HB GLA 14 -6.110 -6.425 -6.425 104 HG CGU 14 HG GLA 14 -7.549 -6.817 -6.817 105 H LYS 15 H LYS 15 -3.776 -6.097 -6.097 106 HA LYS 15 HA LYS 15 -2.159 -7.732 -7.732 107 1HB LYS 15 2HB LYS 15 -2.698 -5.055 -5.055 108 2HB LYS 15 1HB LYS 15 -1.146 -5.063 -5.063 109 1HG LYS 15 2HG LYS 15 -0.349 -6.509 -6.509 110 2HG LYS 15 1HG LYS 15 -1.824 -5.945 -5.945 111 1HD LYS 15 2HD LYS 15 -0.369 -4.259 -4.259 112 2HD LYS 15 1HD LYS 15 -0.969 -3.545 -3.545 113 1HE LYS 15 2HE LYS 15 1.037 -4.679 -4.679 114 2HE LYS 15 1HE LYS 15 1.666 -5.000 -5.000 115 1HZ LYS 15 3HZ LYS 15 0.984 -2.386 -2.386 116 2HZ LYS 15 2HZ LYS 15 1.575 -2.555 -2.555 117 3HZ LYS 15 1HZ LYS 15 2.547 -2.996 -2.996 118 H SER 16 H SER 16 -2.148 -7.167 -7.167 119 HA SER 16 HA SER 16 -0.757 -7.602 -7.602 120 1HB SER 16 2HB SER 16 0.308 -9.726 -9.726 121 2HB SER 16 1HB SER 16 0.458 -9.773 -9.773 122 HG SER 16 HG SER 16 -1.895 -9.463 -9.463 123 H ASN 17 H ASN 17 1.866 -8.660 -8.660 124 HA ASN 17 HA ASN 17 3.636 -6.640 -6.640 125 1HB ASN 17 2HB ASN 17 4.191 -8.802 -8.802 126 2HB ASN 17 1HB ASN 17 5.407 -7.887 -7.887 127 1HD2 ASN 17 2HD2 ASN 17 3.257 -10.787 -10.787 128 2HD2 ASN 17 1HD2 ASN 17 2.635 -10.103 -10.103 129 1HN NH2 18 1HT ASN 17 2.340 -7.324 -7.324 130 2HN NH2 18 2HT ASN 17 2.823 -5.841 -5.841 Start of MODEL 7 1 1H GLY 1 2H GLY 1 0.499 11.029 11.029 2 2H GLY 1 1H GLY 1 0.265 9.436 9.436 3 3H GLY 1 3H GLY 1 -0.349 10.743 10.743 4 1HA GLY 1 1HA GLY 1 -1.806 11.328 11.328 5 2HA GLY 1 2HA GLY 1 -2.068 9.625 9.625 6 H GLU 2 H GLU 2 0.591 10.710 10.710 7 HA GLU 2 HA GLU 2 0.335 8.654 8.654 8 1HB GLU 2 2HB GLU 2 2.110 10.003 10.003 9 2HB GLU 2 1HB GLU 2 2.487 9.638 9.638 10 1HG GLU 2 2HG GLU 2 2.925 11.858 11.858 11 2HG GLU 2 1HG GLU 2 1.192 12.089 12.089 12 1HN CGU 3 HN GLA 3 -1.244 11.653 11.653 13 HA CGU 3 HA GLA 3 -1.837 12.238 12.238 14 1HB CGU 3 1HB GLA 3 -3.843 13.443 13.443 15 2HB CGU 3 2HB GLA 3 -3.157 12.866 12.866 16 HG CGU 3 HG GLA 3 -1.629 14.579 14.579 17 1HN CGU 4 HN GLA 4 -3.260 10.382 10.382 18 HA CGU 4 HA GLA 4 -5.540 9.442 9.442 19 1HB CGU 4 1HB GLA 4 -6.218 8.363 8.363 20 2HB CGU 4 2HB GLA 4 -4.723 8.872 8.872 21 HG CGU 4 HG GLA 4 -6.624 10.876 10.876 22 H LEU 5 H LEU 5 -2.414 8.558 8.558 23 HA LEU 5 HA LEU 5 -2.445 5.748 5.748 24 1HB LEU 5 2HB LEU 5 -0.261 5.753 5.753 25 2HB LEU 5 1HB LEU 5 -0.455 7.418 7.418 26 HG LEU 5 HG LEU 5 -1.138 7.848 7.848 27 1HD1 LEU 5 2HD1 LEU 5 -0.322 4.936 4.936 28 2HD1 LEU 5 1HD1 LEU 5 0.200 5.972 5.972 29 3HD1 LEU 5 3HD1 LEU 5 -1.499 5.796 5.796 30 1HD2 LEU 5 2HD2 LEU 5 1.131 8.401 8.401 31 2HD2 LEU 5 1HD2 LEU 5 1.219 8.009 8.009 32 3HD2 LEU 5 3HD2 LEU 5 1.692 6.823 6.823 33 H GLN 6 H GLN 6 -3.637 7.661 7.661 34 HA GLN 6 HA GLN 6 -3.854 5.642 5.642 35 1HB GLN 6 2HB GLN 6 -4.001 8.207 8.207 36 2HB GLN 6 1HB GLN 6 -5.638 8.091 8.091 37 1HG GLN 6 2HG GLN 6 -6.325 6.686 6.686 38 2HG GLN 6 1HG GLN 6 -4.664 6.554 6.554 39 1HE2 GLN 6 2HE2 GLN 6 -6.777 9.986 9.986 40 2HE2 GLN 6 1HE2 GLN 6 -7.362 8.849 8.849 41 1HN CGU 7 HN GLA 7 -5.863 6.779 6.779 42 HA CGU 7 HA GLA 7 -8.201 5.172 5.172 43 1HB CGU 7 1HB GLA 7 -9.080 6.020 6.020 44 2HB CGU 7 2HB GLA 7 -7.473 6.334 6.334 45 HG CGU 7 HG GLA 7 -7.187 8.057 8.057 46 H ASN 8 H ASN 8 -5.260 4.754 4.754 47 HA ASN 8 HA ASN 8 -6.143 2.234 2.234 48 1HB ASN 8 2HB ASN 8 -4.704 4.143 4.143 49 2HB ASN 8 1HB ASN 8 -3.365 3.419 3.419 50 1HD2 ASN 8 2HD2 ASN 8 -5.037 1.477 1.477 51 2HD2 ASN 8 1HD2 ASN 8 -5.786 2.847 2.847 52 H GLN 9 H GLN 9 -4.816 3.109 3.109 53 HA GLN 9 HA GLN 9 -2.850 1.025 1.025 54 1HB GLN 9 2HB GLN 9 -4.040 3.165 3.165 55 2HB GLN 9 1HB GLN 9 -3.937 1.702 1.702 56 1HG GLN 9 2HG GLN 9 -1.491 1.509 1.509 57 2HG GLN 9 1HG GLN 9 -1.650 3.091 3.091 58 1HE2 GLN 9 2HE2 GLN 9 -1.911 4.836 4.836 59 2HE2 GLN 9 1HE2 GLN 9 -2.401 4.897 4.897 60 1HN CGU 10 HN GLA 10 -6.164 0.826 0.826 61 HA CGU 10 HA GLA 10 -6.394 -1.615 -1.615 62 1HB CGU 10 1HB GLA 10 -8.654 -0.562 -0.562 63 2HB CGU 10 2HB GLA 10 -8.201 0.352 0.352 64 HG CGU 10 HG GLA 10 -8.530 -1.579 -1.579 65 H LEU 11 H LEU 11 -6.260 -0.456 -0.456 66 HA LEU 11 HA LEU 11 -7.008 -2.819 -2.819 67 1HB LEU 11 2HB LEU 11 -5.244 -0.458 -0.458 68 2HB LEU 11 1HB LEU 11 -5.491 -1.762 -1.762 69 HG LEU 11 HG LEU 11 -7.009 0.304 0.304 70 1HD1 LEU 11 1HD1 LEU 11 -7.364 -2.029 -2.029 71 2HD1 LEU 11 3HD1 LEU 11 -8.530 -2.322 -2.322 72 3HD1 LEU 11 2HD1 LEU 11 -8.787 -1.012 -1.012 73 1HD2 LEU 11 1HD2 LEU 11 -7.629 0.452 0.452 74 2HD2 LEU 11 3HD2 LEU 11 -8.998 0.452 0.452 75 3HD2 LEU 11 2HD2 LEU 11 -8.594 -1.004 -1.004 76 H ILE 12 H ILE 12 -3.948 -1.767 -1.767 77 HA ILE 12 HA ILE 12 -2.337 -3.805 -3.805 78 HB ILE 12 HB ILE 12 -1.563 -1.645 -1.645 79 1HG1 ILE 12 2HG1 ILE 12 0.546 -2.789 -2.789 80 2HG1 ILE 12 1HG1 ILE 12 -0.206 -4.319 -4.319 81 1HG2 ILE 12 3HG2 ILE 12 -2.919 -2.465 -2.465 82 2HG2 ILE 12 2HG2 ILE 12 -1.358 -3.148 -3.148 83 3HG2 ILE 12 1HG2 ILE 12 -1.514 -1.426 -1.426 84 1HD1 ILE 12 3HD1 ILE 12 0.198 -2.114 -2.114 85 2HD1 ILE 12 2HD1 ILE 12 1.364 -3.399 -3.399 86 3HD1 ILE 12 1HD1 ILE 12 -0.247 -3.783 -3.783 87 H ARG 13 H ARG 13 -4.464 -3.879 -3.879 88 HA ARG 13 HA ARG 13 -3.421 -6.137 -6.137 89 1HB ARG 13 2HB ARG 13 -5.317 -4.627 -4.627 90 2HB ARG 13 1HB ARG 13 -6.353 -5.353 -5.353 91 1HG ARG 13 2HG ARG 13 -6.815 -6.486 -6.486 92 2HG ARG 13 1HG ARG 13 -5.972 -7.626 -7.626 93 1HD ARG 13 2HD ARG 13 -4.035 -6.100 -6.100 94 2HD ARG 13 1HD ARG 13 -5.237 -6.824 -6.824 95 HE ARG 13 HE ARG 13 -3.213 -8.248 -8.248 96 1HH1 ARG 13 2HH1 ARG 13 -6.475 -8.429 -8.429 97 2HH1 ARG 13 1HH1 ARG 13 -6.481 -10.156 -10.156 98 1HH2 ARG 13 1HH2 ARG 13 -3.192 -10.430 -10.430 99 2HH2 ARG 13 2HH2 ARG 13 -4.585 -11.312 -11.312 100 1HN CGU 14 HN GLA 14 -5.246 -5.724 -5.724 101 HA CGU 14 HA GLA 14 -5.791 -8.587 -8.587 102 1HB CGU 14 1HB GLA 14 -7.357 -7.845 -7.845 103 2HB CGU 14 2HB GLA 14 -6.467 -6.377 -6.377 104 HG CGU 14 HG GLA 14 -7.086 -5.496 -5.496 105 H LYS 15 H LYS 15 -3.845 -5.940 -5.940 106 HA LYS 15 HA LYS 15 -2.504 -7.692 -7.692 107 1HB LYS 15 2HB LYS 15 -2.350 -4.656 -4.656 108 2HB LYS 15 1HB LYS 15 -1.675 -5.583 -5.583 109 1HG LYS 15 2HG LYS 15 -3.960 -6.333 -6.333 110 2HG LYS 15 1HG LYS 15 -4.646 -5.377 -5.377 111 1HD LYS 15 2HD LYS 15 -3.927 -3.300 -3.300 112 2HD LYS 15 1HD LYS 15 -2.904 -4.131 -4.131 113 1HE LYS 15 2HE LYS 15 -4.939 -5.183 -5.183 114 2HE LYS 15 1HE LYS 15 -5.947 -4.279 -4.279 115 1HZ LYS 15 1HZ LYS 15 -4.076 -3.090 -3.090 116 2HZ LYS 15 3HZ LYS 15 -5.761 -3.199 -3.199 117 3HZ LYS 15 2HZ LYS 15 -5.099 -2.236 -2.236 118 H SER 16 H SER 16 -2.064 -8.205 -8.205 119 HA SER 16 HA SER 16 0.442 -6.932 -6.932 120 1HB SER 16 2HB SER 16 -1.516 -7.768 -7.768 121 2HB SER 16 1HB SER 16 -0.790 -9.364 -9.364 122 HG SER 16 HG SER 16 1.058 -8.663 -8.663 123 H ASN 17 H ASN 17 2.143 -7.492 -7.492 124 HA ASN 17 HA ASN 17 2.571 -10.015 -10.015 125 1HB ASN 17 2HB ASN 17 4.929 -9.128 -9.128 126 2HB ASN 17 1HB ASN 17 3.694 -7.991 -7.991 127 1HD2 ASN 17 2HD2 ASN 17 4.288 -5.740 -5.740 128 2HD2 ASN 17 1HD2 ASN 17 3.055 -6.313 -6.313 129 1HN NH2 18 1HT ASN 17 4.166 -11.683 -11.683 130 2HN NH2 18 2HT ASN 17 4.599 -11.942 -11.942 Start of MODEL 8 1 1H GLY 1 3H GLY 1 -2.812 13.085 13.085 2 2H GLY 1 2H GLY 1 -3.731 14.277 14.277 3 3H GLY 1 1H GLY 1 -2.334 14.715 14.715 4 1HA GLY 1 1HA GLY 1 -0.928 13.720 13.720 5 2HA GLY 1 2HA GLY 1 -2.141 14.657 14.657 6 H GLU 2 H GLU 2 -1.512 13.339 13.339 7 HA GLU 2 HA GLU 2 -1.620 10.572 10.572 8 1HB GLU 2 2HB GLU 2 -1.966 10.984 10.984 9 2HB GLU 2 1HB GLU 2 -0.666 11.916 11.916 10 1HG GLU 2 2HG GLU 2 -1.787 13.944 13.944 11 2HG GLU 2 1HG GLU 2 -3.376 13.234 13.234 12 1HN CGU 3 HN GLA 3 -4.391 12.677 12.677 13 HA CGU 3 HA GLA 3 -6.280 11.028 11.028 14 1HB CGU 3 1HB GLA 3 -7.902 12.455 12.455 15 2HB CGU 3 2HB GLA 3 -7.138 12.656 12.656 16 HG CGU 3 HG GLA 3 -5.571 13.704 13.704 17 1HN CGU 4 HN GLA 4 -4.876 10.849 10.849 18 HA CGU 4 HA GLA 4 -6.787 8.809 8.809 19 1HB CGU 4 1HB GLA 4 -5.613 9.049 9.049 20 2HB CGU 4 2HB GLA 4 -4.366 10.023 10.023 21 HG CGU 4 HG GLA 4 -7.027 11.084 11.084 22 H LEU 5 H LEU 5 -3.591 9.116 9.116 23 HA LEU 5 HA LEU 5 -2.503 6.628 6.628 24 1HB LEU 5 2HB LEU 5 -0.669 7.427 7.427 25 2HB LEU 5 1HB LEU 5 -1.629 8.816 8.816 26 HG LEU 5 HG LEU 5 -2.341 7.651 7.651 27 1HD1 LEU 5 2HD1 LEU 5 -0.706 5.478 5.478 28 2HD1 LEU 5 1HD1 LEU 5 -0.223 5.856 5.856 29 3HD1 LEU 5 3HD1 LEU 5 -1.873 5.390 5.390 30 1HD2 LEU 5 3HD2 LEU 5 -0.368 9.332 9.332 31 2HD2 LEU 5 2HD2 LEU 5 -0.391 8.332 8.332 32 3HD2 LEU 5 1HD2 LEU 5 0.671 7.927 7.927 33 H GLN 6 H GLN 6 -4.362 7.509 7.509 34 HA GLN 6 HA GLN 6 -4.299 5.043 5.043 35 1HB GLN 6 2HB GLN 6 -5.246 7.394 7.394 36 2HB GLN 6 1HB GLN 6 -6.739 6.858 6.858 37 1HG GLN 6 2HG GLN 6 -6.983 6.210 6.210 38 2HG GLN 6 1HG GLN 6 -6.477 4.714 4.714 39 1HE2 GLN 6 2HE2 GLN 6 -3.998 6.619 6.619 40 2HE2 GLN 6 1HE2 GLN 6 -5.423 7.366 7.366 41 1HN CGU 7 HN GLA 7 -6.609 6.269 6.269 42 HA CGU 7 HA GLA 7 -8.372 4.037 4.037 43 1HB CGU 7 1HB GLA 7 -9.096 5.026 5.026 44 2HB CGU 7 2HB GLA 7 -7.694 6.074 6.074 45 HG CGU 7 HG GLA 7 -8.605 6.804 6.804 46 H ASN 8 H ASN 8 -5.494 4.806 4.806 47 HA ASN 8 HA ASN 8 -5.632 2.443 2.443 48 1HB ASN 8 2HB ASN 8 -4.153 4.908 4.908 49 2HB ASN 8 1HB ASN 8 -2.963 3.624 3.624 50 1HD2 ASN 8 2HD2 ASN 8 -3.594 2.543 2.543 51 2HD2 ASN 8 1HD2 ASN 8 -2.778 2.233 2.233 52 H GLN 9 H GLN 9 -4.415 3.104 3.104 53 HA GLN 9 HA GLN 9 -2.330 1.127 1.127 54 1HB GLN 9 2HB GLN 9 -2.890 3.134 3.134 55 2HB GLN 9 1HB GLN 9 -4.035 2.041 2.041 56 1HG GLN 9 2HG GLN 9 -2.282 0.513 0.513 57 2HG GLN 9 1HG GLN 9 -1.097 1.331 1.331 58 1HE2 GLN 9 2HE2 GLN 9 -2.286 3.123 3.123 59 2HE2 GLN 9 1HE2 GLN 9 -3.307 1.989 1.989 60 1HN CGU 10 HN GLA 10 -5.744 1.072 1.072 61 HA CGU 10 HA GLA 10 -5.920 -1.523 -1.523 62 1HB CGU 10 1HB GLA 10 -8.390 -1.074 -1.074 63 2HB CGU 10 2HB GLA 10 -7.747 0.537 0.537 64 HG CGU 10 HG GLA 10 -9.104 -0.101 -0.101 65 H LEU 11 H LEU 11 -5.742 -0.428 -0.428 66 HA LEU 11 HA LEU 11 -6.595 -2.816 -2.816 67 1HB LEU 11 2HB LEU 11 -4.737 -0.554 -0.554 68 2HB LEU 11 1HB LEU 11 -5.076 -1.879 -1.879 69 HG LEU 11 HG LEU 11 -6.485 0.285 0.285 70 1HD1 LEU 11 3HD1 LEU 11 -7.019 -1.852 -1.852 71 2HD1 LEU 11 2HD1 LEU 11 -7.931 -2.402 -2.402 72 3HD1 LEU 11 1HD1 LEU 11 -8.485 -1.014 -1.014 73 1HD2 LEU 11 2HD2 LEU 11 -7.067 0.440 0.440 74 2HD2 LEU 11 1HD2 LEU 11 -8.441 0.555 0.555 75 3HD2 LEU 11 3HD2 LEU 11 -8.137 -0.940 -0.940 76 H ILE 12 H ILE 12 -3.552 -1.809 -1.809 77 HA ILE 12 HA ILE 12 -1.922 -3.919 -3.919 78 HB ILE 12 HB ILE 12 -1.533 -2.516 -2.516 79 1HG1 ILE 12 2HG1 ILE 12 -1.848 -0.725 -0.725 80 2HG1 ILE 12 1HG1 ILE 12 -0.143 -0.831 -0.831 81 1HG2 ILE 12 3HG2 ILE 12 0.369 -3.940 -3.940 82 2HG2 ILE 12 2HG2 ILE 12 0.935 -2.868 -2.868 83 3HG2 ILE 12 1HG2 ILE 12 0.032 -4.313 -4.313 84 1HD1 ILE 12 2HD1 ILE 12 0.097 -2.260 -2.260 85 2HD1 ILE 12 1HD1 ILE 12 -1.553 -1.788 -1.788 86 3HD1 ILE 12 3HD1 ILE 12 -0.300 -0.569 -0.569 87 H ARG 13 H ARG 13 -3.654 -3.497 -3.497 88 HA ARG 13 HA ARG 13 -3.053 -5.999 -5.999 89 1HB ARG 13 2HB ARG 13 -5.568 -4.297 -4.297 90 2HB ARG 13 1HB ARG 13 -5.017 -5.513 -5.513 91 1HG ARG 13 2HG ARG 13 -3.397 -3.033 -3.033 92 2HG ARG 13 1HG ARG 13 -4.427 -3.124 -3.124 93 1HD ARG 13 2HD ARG 13 -2.664 -5.451 -5.451 94 2HD ARG 13 1HD ARG 13 -1.710 -4.003 -4.003 95 HE ARG 13 HE ARG 13 -2.268 -3.230 -3.230 96 1HH1 ARG 13 2HH1 ARG 13 -4.241 -5.954 -5.954 97 2HH1 ARG 13 1HH1 ARG 13 -4.885 -6.128 -6.128 98 1HH2 ARG 13 1HH2 ARG 13 -3.071 -3.440 -3.440 99 2HH2 ARG 13 2HH2 ARG 13 -4.213 -4.687 -4.687 100 1HN CGU 14 HN GLA 14 -5.508 -5.010 -5.010 101 HA CGU 14 HA GLA 14 -7.066 -7.445 -7.445 102 1HB CGU 14 1HB GLA 14 -7.916 -6.372 -6.372 103 2HB CGU 14 2HB GLA 14 -6.912 -5.020 -5.020 104 HG CGU 14 HG GLA 14 -8.181 -5.428 -5.428 105 H LYS 15 H LYS 15 -4.402 -6.274 -6.274 106 HA LYS 15 HA LYS 15 -4.492 -8.555 -8.555 107 1HB LYS 15 2HB LYS 15 -3.768 -6.052 -6.052 108 2HB LYS 15 1HB LYS 15 -2.212 -6.564 -6.564 109 1HG LYS 15 2HG LYS 15 -1.753 -7.877 -7.877 110 2HG LYS 15 1HG LYS 15 -3.413 -8.406 -8.406 111 1HD LYS 15 2HD LYS 15 -3.939 -6.023 -6.023 112 2HD LYS 15 1HD LYS 15 -2.206 -5.760 -5.760 113 1HE LYS 15 2HE LYS 15 -3.693 -7.981 -7.981 114 2HE LYS 15 1HE LYS 15 -3.110 -6.493 -6.493 115 1HZ LYS 15 2HZ LYS 15 -1.366 -8.447 -8.447 116 2HZ LYS 15 1HZ LYS 15 -1.627 -8.410 -8.410 117 3HZ LYS 15 3HZ LYS 15 -0.881 -7.093 -7.093 118 H SER 16 H SER 16 -3.691 -8.529 -8.529 119 HA SER 16 HA SER 16 -1.015 -9.689 -9.689 120 1HB SER 16 2HB SER 16 -1.996 -8.400 -8.400 121 2HB SER 16 1HB SER 16 -3.107 -9.749 -9.749 122 HG SER 16 HG SER 16 -1.480 -10.606 -10.606 123 H ASN 17 H ASN 17 -1.399 -11.287 -11.287 124 HA ASN 17 HA ASN 17 -1.790 -13.418 -13.418 125 1HB ASN 17 2HB ASN 17 -1.715 -14.017 -14.017 126 2HB ASN 17 1HB ASN 17 -1.663 -15.252 -15.252 127 1HD2 ASN 17 2HD2 ASN 17 1.692 -14.592 -14.592 128 2HD2 ASN 17 1HD2 ASN 17 0.249 -15.371 -15.371 129 1HN NH2 18 1HT ASN 17 -3.895 -13.080 -13.080 130 2HN NH2 18 2HT ASN 17 -5.308 -13.641 -13.641 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -3.328 15.531 15.531 2 2H GLY 1 3H GLY 1 -1.656 15.758 15.758 3 3H GLY 1 2H GLY 1 -2.542 16.644 16.644 4 1HA GLY 1 1HA GLY 1 -2.997 14.773 14.773 5 2HA GLY 1 2HA GLY 1 -1.224 14.761 14.761 6 H GLU 2 H GLU 2 -3.938 14.039 14.039 7 HA GLU 2 HA GLU 2 -2.777 11.384 11.384 8 1HB GLU 2 2HB GLU 2 -4.283 11.447 11.447 9 2HB GLU 2 1HB GLU 2 -3.257 12.860 12.860 10 1HG GLU 2 2HG GLU 2 -5.025 14.311 14.311 11 2HG GLU 2 1HG GLU 2 -5.863 13.221 13.221 12 1HN CGU 3 HN GLA 3 -5.251 12.647 12.647 13 HA CGU 3 HA GLA 3 -7.219 10.575 10.575 14 1HB CGU 3 1HB GLA 3 -7.782 11.660 11.660 15 2HB CGU 3 2HB GLA 3 -6.701 12.885 12.885 16 HG CGU 3 HG GLA 3 -8.436 12.198 12.198 17 1HN CGU 4 HN GLA 4 -4.910 11.168 11.168 18 HA CGU 4 HA GLA 4 -5.523 8.659 8.659 19 1HB CGU 4 1HB GLA 4 -4.554 10.840 10.840 20 2HB CGU 4 2HB GLA 4 -3.966 9.328 9.328 21 HG CGU 4 HG GLA 4 -2.363 11.282 11.282 22 H LEU 5 H LEU 5 -4.152 9.108 9.108 23 HA LEU 5 HA LEU 5 -1.984 7.125 7.125 24 1HB LEU 5 2HB LEU 5 -1.059 8.632 8.632 25 2HB LEU 5 1HB LEU 5 -2.558 9.488 9.488 26 HG LEU 5 HG LEU 5 -3.328 7.933 7.933 27 1HD1 LEU 5 3HD1 LEU 5 -0.876 6.512 6.512 28 2HD1 LEU 5 2HD1 LEU 5 -0.778 7.036 7.036 29 3HD1 LEU 5 1HD1 LEU 5 -2.135 6.073 6.073 30 1HD2 LEU 5 3HD2 LEU 5 -1.191 9.984 9.984 31 2HD2 LEU 5 2HD2 LEU 5 -2.695 9.848 9.848 32 3HD2 LEU 5 1HD2 LEU 5 -1.285 8.964 8.964 33 H GLN 6 H GLN 6 -5.255 7.278 7.278 34 HA GLN 6 HA GLN 6 -4.836 4.872 4.872 35 1HB GLN 6 2HB GLN 6 -7.239 6.639 6.639 36 2HB GLN 6 1HB GLN 6 -7.359 5.192 5.192 37 1HG GLN 6 2HG GLN 6 -5.662 6.079 6.079 38 2HG GLN 6 1HG GLN 6 -5.406 7.480 7.480 39 1HE2 GLN 6 2HE2 GLN 6 -7.818 9.253 9.253 40 2HE2 GLN 6 1HE2 GLN 6 -6.273 9.217 9.217 41 1HN CGU 7 HN GLA 7 -7.287 5.550 5.550 42 HA CGU 7 HA GLA 7 -8.262 3.031 3.031 43 1HB CGU 7 1HB GLA 7 -9.090 5.204 5.204 44 2HB CGU 7 2HB GLA 7 -9.132 3.933 3.933 45 HG CGU 7 HG GLA 7 -8.324 6.328 6.328 46 H ASN 8 H ASN 8 -5.180 4.144 4.144 47 HA ASN 8 HA ASN 8 -4.700 2.130 2.130 48 1HB ASN 8 2HB ASN 8 -3.261 4.475 4.475 49 2HB ASN 8 1HB ASN 8 -2.196 3.128 3.128 50 1HD2 ASN 8 2HD2 ASN 8 -2.918 3.165 3.165 51 2HD2 ASN 8 1HD2 ASN 8 -2.728 2.061 2.061 52 H GLN 9 H GLN 9 -3.603 2.824 2.824 53 HA GLN 9 HA GLN 9 -2.124 0.413 0.413 54 1HB GLN 9 2HB GLN 9 -3.550 2.303 2.303 55 2HB GLN 9 1HB GLN 9 -2.699 0.892 0.892 56 1HG GLN 9 2HG GLN 9 -0.599 1.692 1.692 57 2HG GLN 9 1HG GLN 9 -1.436 3.122 3.122 58 1HE2 GLN 9 2HE2 GLN 9 -1.903 4.138 4.138 59 2HE2 GLN 9 1HE2 GLN 9 -2.998 3.682 3.682 60 1HN CGU 10 HN GLA 10 -5.484 1.016 1.016 61 HA CGU 10 HA GLA 10 -6.200 -1.459 -1.459 62 1HB CGU 10 1HB GLA 10 -8.477 -0.747 -0.747 63 2HB CGU 10 2HB GLA 10 -7.664 0.797 0.797 64 HG CGU 10 HG GLA 10 -7.861 -0.843 -0.843 65 H LEU 11 H LEU 11 -6.629 -0.289 -0.289 66 HA LEU 11 HA LEU 11 -7.314 -2.814 -2.814 67 1HB LEU 11 2HB LEU 11 -7.263 -1.715 -1.715 68 2HB LEU 11 1HB LEU 11 -7.514 -0.405 -0.405 69 HG LEU 11 HG LEU 11 -4.893 -0.117 -0.117 70 1HD1 LEU 11 1HD1 LEU 11 -5.445 -1.975 -1.975 71 2HD1 LEU 11 3HD1 LEU 11 -4.216 -0.744 -0.744 72 3HD1 LEU 11 2HD1 LEU 11 -4.056 -1.945 -1.945 73 1HD2 LEU 11 1HD2 LEU 11 -6.636 1.447 1.447 74 2HD2 LEU 11 3HD2 LEU 11 -5.165 1.438 1.438 75 3HD2 LEU 11 2HD2 LEU 11 -6.581 0.564 0.564 76 H ILE 12 H ILE 12 -4.255 -1.633 -1.633 77 HA ILE 12 HA ILE 12 -2.732 -3.533 -3.533 78 HB ILE 12 HB ILE 12 -2.045 -1.444 -1.444 79 1HG1 ILE 12 2HG1 ILE 12 -2.506 -0.789 -0.789 80 2HG1 ILE 12 1HG1 ILE 12 -0.956 -0.279 -0.279 81 1HG2 ILE 12 2HG2 ILE 12 -0.187 -3.597 -3.597 82 2HG2 ILE 12 1HG2 ILE 12 0.432 -2.033 -2.033 83 3HG2 ILE 12 3HG2 ILE 12 -0.424 -3.036 -3.036 84 1HD1 ILE 12 2HD1 ILE 12 -0.987 -2.935 -2.935 85 2HD1 ILE 12 1HD1 ILE 12 -1.226 -1.503 -1.503 86 3HD1 ILE 12 3HD1 ILE 12 0.222 -1.667 -1.667 87 H ARG 13 H ARG 13 -3.535 -3.035 -3.035 88 HA ARG 13 HA ARG 13 -2.231 -5.392 -5.392 89 1HB ARG 13 2HB ARG 13 -3.113 -3.307 -3.307 90 2HB ARG 13 1HB ARG 13 -4.657 -4.112 -4.112 91 1HG ARG 13 2HG ARG 13 -4.007 -5.398 -5.398 92 2HG ARG 13 1HG ARG 13 -2.644 -6.037 -6.037 93 1HD ARG 13 2HD ARG 13 -2.665 -3.484 -3.484 94 2HD ARG 13 1HD ARG 13 -1.761 -4.959 -4.959 95 HE ARG 13 HE ARG 13 -1.281 -3.424 -3.424 96 1HH1 ARG 13 2HH1 ARG 13 -0.014 -4.756 -4.756 97 2HH1 ARG 13 1HH1 ARG 13 1.607 -4.405 -4.405 98 1HH2 ARG 13 1HH2 ARG 13 0.761 -3.001 -3.001 99 2HH2 ARG 13 2HH2 ARG 13 2.061 -3.404 -3.404 100 1HN CGU 14 HN GLA 14 -5.428 -4.767 -4.767 101 HA CGU 14 HA GLA 14 -6.447 -7.435 -7.435 102 1HB CGU 14 1HB GLA 14 -8.449 -6.485 -6.485 103 2HB CGU 14 2HB GLA 14 -7.582 -4.975 -4.975 104 HG CGU 14 HG GLA 14 -7.664 -6.228 -6.228 105 H LYS 15 H LYS 15 -4.418 -6.399 -6.399 106 HA LYS 15 HA LYS 15 -5.513 -8.048 -8.048 107 1HB LYS 15 2HB LYS 15 -3.840 -5.732 -5.732 108 2HB LYS 15 1HB LYS 15 -2.843 -6.984 -6.984 109 1HG LYS 15 2HG LYS 15 -3.964 -5.844 -5.844 110 2HG LYS 15 1HG LYS 15 -4.584 -7.476 -7.476 111 1HD LYS 15 2HD LYS 15 -6.707 -6.752 -6.752 112 2HD LYS 15 1HD LYS 15 -6.215 -5.731 -5.731 113 1HE LYS 15 2HE LYS 15 -5.348 -4.120 -4.120 114 2HE LYS 15 1HE LYS 15 -6.462 -5.051 -5.051 115 1HZ LYS 15 1HZ LYS 15 -7.257 -3.819 -3.819 116 2HZ LYS 15 3HZ LYS 15 -7.372 -3.008 -3.008 117 3HZ LYS 15 2HZ LYS 15 -8.258 -4.435 -4.435 118 H SER 16 H SER 16 -3.998 -8.941 -8.941 119 HA SER 16 HA SER 16 -1.688 -10.369 -10.369 120 1HB SER 16 2HB SER 16 -2.628 -10.081 -10.081 121 2HB SER 16 1HB SER 16 -3.814 -11.342 -11.342 122 HG SER 16 HG SER 16 -1.471 -11.779 -11.779 123 H ASN 17 H ASN 17 -1.408 -11.765 -11.765 124 HA ASN 17 HA ASN 17 -1.684 -13.477 -13.477 125 1HB ASN 17 2HB ASN 17 -3.643 -14.668 -14.668 126 2HB ASN 17 1HB ASN 17 -2.680 -15.534 -15.534 127 1HD2 ASN 17 2HD2 ASN 17 -1.102 -14.890 -14.890 128 2HD2 ASN 17 1HD2 ASN 17 -2.759 -14.763 -14.763 129 1HN NH2 18 1HT ASN 17 -3.190 -11.303 -11.303 130 2HN NH2 18 2HT ASN 17 -4.688 -11.789 -11.789 Start of MODEL 10 1 1H GLY 1 1H GLY 1 3.917 7.570 7.570 2 2H GLY 1 3H GLY 1 3.692 7.372 7.372 3 3H GLY 1 2H GLY 1 3.013 8.712 8.712 4 1HA GLY 1 1HA GLY 1 1.339 7.146 7.146 5 2HA GLY 1 2HA GLY 1 2.307 5.891 5.891 6 H GLU 2 H GLU 2 2.480 8.994 8.994 7 HA GLU 2 HA GLU 2 1.373 8.234 8.234 8 1HB GLU 2 2HB GLU 2 3.083 9.863 9.863 9 2HB GLU 2 1HB GLU 2 2.313 10.826 10.826 10 1HG GLU 2 2HG GLU 2 0.821 10.482 10.482 11 2HG GLU 2 1HG GLU 2 2.254 11.487 11.487 12 1HN CGU 3 HN GLA 3 0.138 10.134 10.134 13 HA CGU 3 HA GLA 3 -2.254 11.100 11.100 14 1HB CGU 3 1HB GLA 3 -2.768 11.843 11.843 15 2HB CGU 3 2HB GLA 3 -2.475 10.304 10.304 16 HG CGU 3 HG GLA 3 -1.025 12.317 12.317 17 1HN CGU 4 HN GLA 4 -1.590 8.060 8.060 18 HA CGU 4 HA GLA 4 -4.379 7.144 7.144 19 1HB CGU 4 1HB GLA 4 -3.459 6.911 6.911 20 2HB CGU 4 2HB GLA 4 -3.950 5.392 5.392 21 HG CGU 4 HG GLA 4 -1.194 5.915 5.915 22 H LEU 5 H LEU 5 -1.382 6.933 6.933 23 HA LEU 5 HA LEU 5 -1.312 4.221 4.221 24 1HB LEU 5 2HB LEU 5 0.016 6.728 6.728 25 2HB LEU 5 1HB LEU 5 -0.242 5.762 5.762 26 HG LEU 5 HG LEU 5 0.912 4.502 4.502 27 1HD1 LEU 5 3HD1 LEU 5 2.377 6.066 6.066 28 2HD1 LEU 5 2HD1 LEU 5 3.185 4.886 4.886 29 3HD1 LEU 5 1HD1 LEU 5 2.455 6.306 6.306 30 1HD2 LEU 5 2HD2 LEU 5 0.081 3.033 3.033 31 2HD2 LEU 5 1HD2 LEU 5 1.806 2.868 2.868 32 3HD2 LEU 5 3HD2 LEU 5 1.216 3.821 3.821 33 H GLN 6 H GLN 6 -3.353 6.762 6.762 34 HA GLN 6 HA GLN 6 -4.161 5.328 5.328 35 1HB GLN 6 2HB GLN 6 -3.775 7.913 7.913 36 2HB GLN 6 1HB GLN 6 -5.348 7.939 7.939 37 1HG GLN 6 2HG GLN 6 -5.762 8.373 8.373 38 2HG GLN 6 1HG GLN 6 -6.227 6.695 6.695 39 1HE2 GLN 6 2HE2 GLN 6 -4.097 5.784 5.784 40 2HE2 GLN 6 1HE2 GLN 6 -5.620 5.659 5.659 41 1HN CGU 7 HN GLA 7 -5.872 6.777 6.777 42 HA CGU 7 HA GLA 7 -8.350 5.428 5.428 43 1HB CGU 7 1HB GLA 7 -8.429 7.389 7.389 44 2HB CGU 7 2HB GLA 7 -8.805 6.081 6.081 45 HG CGU 7 HG GLA 7 -5.965 6.275 6.275 46 H ASN 8 H ASN 8 -5.568 4.580 4.580 47 HA ASN 8 HA ASN 8 -6.850 2.089 2.089 48 1HB ASN 8 2HB ASN 8 -5.001 3.855 3.855 49 2HB ASN 8 1HB ASN 8 -4.008 2.484 2.484 50 1HD2 ASN 8 2HD2 ASN 8 -7.067 1.942 1.942 51 2HD2 ASN 8 1HD2 ASN 8 -7.191 3.175 3.175 52 H GLN 9 H GLN 9 -5.438 2.952 2.952 53 HA GLN 9 HA GLN 9 -3.371 1.134 1.134 54 1HB GLN 9 2HB GLN 9 -3.846 1.455 1.455 55 2HB GLN 9 1HB GLN 9 -4.311 2.952 2.952 56 1HG GLN 9 2HG GLN 9 -6.732 2.003 2.003 57 2HG GLN 9 1HG GLN 9 -6.150 0.739 0.739 58 1HE2 GLN 9 2HE2 GLN 9 -7.119 2.882 2.882 59 2HE2 GLN 9 1HE2 GLN 9 -7.449 1.447 1.447 60 1HN CGU 10 HN GLA 10 -6.802 0.646 0.646 61 HA CGU 10 HA GLA 10 -6.812 -2.001 -2.001 62 1HB CGU 10 1HB GLA 10 -9.040 -1.712 -1.712 63 2HB CGU 10 2HB GLA 10 -8.741 -0.135 -0.135 64 HG CGU 10 HG GLA 10 -8.567 -1.475 -1.475 65 H LEU 11 H LEU 11 -6.803 -0.832 -0.832 66 HA LEU 11 HA LEU 11 -6.790 -3.413 -3.413 67 1HB LEU 11 2HB LEU 11 -5.919 -0.641 -0.641 68 2HB LEU 11 1HB LEU 11 -5.711 -2.023 -2.023 69 HG LEU 11 HG LEU 11 -8.251 -2.511 -2.511 70 1HD1 LEU 11 1HD1 LEU 11 -8.002 0.364 0.364 71 2HD1 LEU 11 3HD1 LEU 11 -9.521 -0.313 -0.313 72 3HD1 LEU 11 2HD1 LEU 11 -8.728 -0.996 -0.996 73 1HD2 LEU 11 1HD2 LEU 11 -7.266 -1.649 -1.649 74 2HD2 LEU 11 3HD2 LEU 11 -8.901 -1.093 -1.093 75 3HD2 LEU 11 2HD2 LEU 11 -7.542 -0.015 -0.015 76 H ILE 12 H ILE 12 -4.278 -1.359 -1.359 77 HA ILE 12 HA ILE 12 -2.026 -2.804 -2.804 78 HB ILE 12 HB ILE 12 -2.324 -0.910 -0.910 79 1HG1 ILE 12 2HG1 ILE 12 -0.948 -0.319 -0.319 80 2HG1 ILE 12 1HG1 ILE 12 -2.678 -0.136 -0.136 81 1HG2 ILE 12 2HG2 ILE 12 0.183 -2.138 -2.138 82 2HG2 ILE 12 1HG2 ILE 12 0.235 -0.659 -0.659 83 3HG2 ILE 12 3HG2 ILE 12 -0.307 -2.149 -2.149 84 1HD1 ILE 12 3HD1 ILE 12 -1.404 1.181 1.181 85 2HD1 ILE 12 2HD1 ILE 12 -0.694 1.745 1.745 86 3HD1 ILE 12 1HD1 ILE 12 -2.423 1.878 1.878 87 H ARG 13 H ARG 13 -4.205 -3.340 -3.340 88 HA ARG 13 HA ARG 13 -2.481 -5.315 -5.315 89 1HB ARG 13 2HB ARG 13 -3.798 -3.641 -3.641 90 2HB ARG 13 1HB ARG 13 -5.277 -4.287 -4.287 91 1HG ARG 13 2HG ARG 13 -4.933 -5.196 -5.196 92 2HG ARG 13 1HG ARG 13 -4.812 -6.491 -6.491 93 1HD ARG 13 2HD ARG 13 -2.231 -5.109 -5.109 94 2HD ARG 13 1HD ARG 13 -2.957 -6.083 -6.083 95 HE ARG 13 HE ARG 13 -1.733 -7.077 -7.077 96 1HH1 ARG 13 2HH1 ARG 13 -4.139 -7.690 -7.690 97 2HH1 ARG 13 1HH1 ARG 13 -4.106 -9.403 -9.403 98 1HH2 ARG 13 1HH2 ARG 13 -1.677 -9.239 -9.239 99 2HH2 ARG 13 2HH2 ARG 13 -2.693 -10.296 -10.296 100 1HN CGU 14 HN GLA 14 -5.348 -5.144 -5.144 101 HA CGU 14 HA GLA 14 -5.817 -8.066 -8.066 102 1HB CGU 14 1HB GLA 14 -7.925 -7.629 -7.629 103 2HB CGU 14 2HB GLA 14 -7.425 -6.008 -6.008 104 HG CGU 14 HG GLA 14 -7.252 -5.499 -5.499 105 H LYS 15 H LYS 15 -5.769 -5.734 -5.734 106 HA LYS 15 HA LYS 15 -5.348 -7.592 -7.592 107 1HB LYS 15 2HB LYS 15 -5.657 -4.800 -4.800 108 2HB LYS 15 1HB LYS 15 -4.054 -4.957 -4.957 109 1HG LYS 15 2HG LYS 15 -5.356 -4.957 -4.957 110 2HG LYS 15 1HG LYS 15 -5.180 -6.674 -6.674 111 1HD LYS 15 2HD LYS 15 -7.505 -6.458 -6.458 112 2HD LYS 15 1HD LYS 15 -7.414 -6.457 -6.457 113 1HE LYS 15 2HE LYS 15 -7.351 -3.898 -3.898 114 2HE LYS 15 1HE LYS 15 -7.694 -4.032 -4.032 115 1HZ LYS 15 1HZ LYS 15 -9.705 -5.252 -5.252 116 2HZ LYS 15 3HZ LYS 15 -9.373 -5.076 -5.076 117 3HZ LYS 15 2HZ LYS 15 -9.697 -3.706 -3.706 118 H SER 16 H SER 16 -2.988 -5.661 -5.661 119 HA SER 16 HA SER 16 -0.746 -7.229 -7.229 120 1HB SER 16 2HB SER 16 -0.779 -4.643 -4.643 121 2HB SER 16 1HB SER 16 0.682 -5.398 -5.398 122 HG SER 16 HG SER 16 -1.620 -4.625 -4.625 123 H ASN 17 H ASN 17 -1.443 -9.078 -9.078 124 HA ASN 17 HA ASN 17 -0.826 -9.077 -9.077 125 1HB ASN 17 2HB ASN 17 -3.030 -10.106 -10.106 126 2HB ASN 17 1HB ASN 17 -2.025 -11.532 -11.532 127 1HD2 ASN 17 2HD2 ASN 17 -2.079 -11.407 -11.407 128 2HD2 ASN 17 1HD2 ASN 17 -0.985 -11.684 -11.684 129 1HN NH2 18 1HT ASN 17 0.508 -10.869 -10.869 130 2HN NH2 18 2HT ASN 17 1.670 -11.600 -11.600 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -3.950 12.369 12.369 2 2H GLY 1 3H GLY 1 -3.190 13.548 13.548 3 3H GLY 1 2H GLY 1 -2.281 12.284 12.284 4 1HA GLY 1 1HA GLY 1 -1.903 14.264 14.264 5 2HA GLY 1 2HA GLY 1 -3.686 14.387 14.387 6 H GLU 2 H GLU 2 -2.033 14.433 14.433 7 HA GLU 2 HA GLU 2 -1.536 11.778 11.778 8 1HB GLU 2 2HB GLU 2 -1.297 14.607 14.607 9 2HB GLU 2 1HB GLU 2 -1.315 13.335 13.335 10 1HG GLU 2 2HG GLU 2 0.736 12.501 12.501 11 2HG GLU 2 1HG GLU 2 0.472 12.768 12.768 12 1HN CGU 3 HN GLA 3 -4.278 13.785 13.785 13 HA CGU 3 HA GLA 3 -5.631 12.981 12.981 14 1HB CGU 3 1HB GLA 3 -7.704 13.619 13.619 15 2HB CGU 3 2HB GLA 3 -6.395 14.246 14.246 16 HG CGU 3 HG GLA 3 -5.596 15.485 15.485 17 1HN CGU 4 HN GLA 4 -5.352 11.556 11.556 18 HA CGU 4 HA GLA 4 -7.234 9.366 9.366 19 1HB CGU 4 1HB GLA 4 -6.714 8.920 8.920 20 2HB CGU 4 2HB GLA 4 -6.294 10.605 10.605 21 HG CGU 4 HG GLA 4 -8.665 10.535 10.535 22 H LEU 5 H LEU 5 -4.077 9.915 9.915 23 HA LEU 5 HA LEU 5 -2.879 7.577 7.577 24 1HB LEU 5 2HB LEU 5 -0.911 8.317 8.317 25 2HB LEU 5 1HB LEU 5 -1.843 9.778 9.778 26 HG LEU 5 HG LEU 5 -2.567 9.247 9.247 27 1HD1 LEU 5 2HD1 LEU 5 -0.550 7.083 7.083 28 2HD1 LEU 5 1HD1 LEU 5 -0.364 7.924 7.924 29 3HD1 LEU 5 3HD1 LEU 5 -1.868 7.121 7.121 30 1HD2 LEU 5 3HD2 LEU 5 -0.138 10.464 10.464 31 2HD2 LEU 5 2HD2 LEU 5 -1.130 11.013 11.013 32 3HD2 LEU 5 1HD2 LEU 5 0.167 9.874 9.874 33 H GLN 6 H GLN 6 -4.511 8.187 8.187 34 HA GLN 6 HA GLN 6 -3.815 5.622 5.622 35 1HB GLN 6 2HB GLN 6 -5.367 8.077 8.077 36 2HB GLN 6 1HB GLN 6 -6.004 6.618 6.618 37 1HG GLN 6 2HG GLN 6 -3.027 6.882 6.882 38 2HG GLN 6 1HG GLN 6 -3.918 8.137 8.137 39 1HE2 GLN 6 2HE2 GLN 6 -3.408 4.962 4.962 40 2HE2 GLN 6 1HE2 GLN 6 -2.337 5.746 5.746 41 1HN CGU 7 HN GLA 7 -5.959 6.485 6.485 42 HA CGU 7 HA GLA 7 -7.941 4.395 4.395 43 1HB CGU 7 1HB GLA 7 -8.826 5.258 5.258 44 2HB CGU 7 2HB GLA 7 -7.750 6.598 6.598 45 HG CGU 7 HG GLA 7 -8.859 6.923 6.923 46 H ASN 8 H ASN 8 -5.075 4.785 4.785 47 HA ASN 8 HA ASN 8 -5.622 2.441 2.441 48 1HB ASN 8 2HB ASN 8 -3.676 3.104 3.104 49 2HB ASN 8 1HB ASN 8 -4.511 4.589 4.589 50 1HD2 ASN 8 2HD2 ASN 8 -1.513 5.918 5.918 51 2HD2 ASN 8 1HD2 ASN 8 -2.892 6.108 6.108 52 H GLN 9 H GLN 9 -4.558 2.875 2.875 53 HA GLN 9 HA GLN 9 -2.398 0.872 0.872 54 1HB GLN 9 2HB GLN 9 -2.247 1.276 1.276 55 2HB GLN 9 1HB GLN 9 -2.442 2.823 2.823 56 1HG GLN 9 2HG GLN 9 -4.074 3.146 3.146 57 2HG GLN 9 1HG GLN 9 -5.081 2.251 2.251 58 1HE2 GLN 9 2HE2 GLN 9 -3.709 0.355 0.355 59 2HE2 GLN 9 1HE2 GLN 9 -2.846 1.681 1.681 60 1HN CGU 10 HN GLA 10 -5.776 0.960 0.960 61 HA CGU 10 HA GLA 10 -6.127 -1.532 -1.532 62 1HB CGU 10 1HB GLA 10 -8.317 -0.455 -0.455 63 2HB CGU 10 2HB GLA 10 -7.710 0.613 0.613 64 HG CGU 10 HG GLA 10 -8.030 -1.270 -1.270 65 H LEU 11 H LEU 11 -5.934 -0.614 -0.614 66 HA LEU 11 HA LEU 11 -6.871 -3.107 -3.107 67 1HB LEU 11 2HB LEU 11 -6.180 -2.246 -2.246 68 2HB LEU 11 1HB LEU 11 -6.583 -0.833 -0.833 69 HG LEU 11 HG LEU 11 -3.926 -0.920 -0.920 70 1HD1 LEU 11 3HD1 LEU 11 -4.183 -2.278 -2.278 71 2HD1 LEU 11 2HD1 LEU 11 -2.699 -1.564 -1.564 72 3HD1 LEU 11 1HD1 LEU 11 -3.398 -2.946 -2.946 73 1HD2 LEU 11 2HD2 LEU 11 -5.362 0.885 0.885 74 2HD2 LEU 11 1HD2 LEU 11 -3.654 0.829 0.829 75 3HD2 LEU 11 3HD2 LEU 11 -4.836 0.116 0.116 76 H ILE 12 H ILE 12 -3.825 -2.041 -2.041 77 HA ILE 12 HA ILE 12 -2.125 -4.055 -4.055 78 HB ILE 12 HB ILE 12 -1.913 -2.667 -2.667 79 1HG1 ILE 12 2HG1 ILE 12 -2.064 -0.979 -0.979 80 2HG1 ILE 12 1HG1 ILE 12 -0.466 -0.995 -0.995 81 1HG2 ILE 12 1HG2 ILE 12 0.023 -4.361 -4.361 82 2HG2 ILE 12 3HG2 ILE 12 0.649 -3.066 -3.066 83 3HG2 ILE 12 2HG2 ILE 12 -0.313 -4.344 -4.344 84 1HD1 ILE 12 3HD1 ILE 12 0.354 -2.400 -2.400 85 2HD1 ILE 12 2HD1 ILE 12 -1.245 -2.305 -2.305 86 3HD1 ILE 12 1HD1 ILE 12 -0.284 -0.853 -0.853 87 H ARG 13 H ARG 13 -4.252 -4.015 -4.015 88 HA ARG 13 HA ARG 13 -3.392 -6.490 -6.490 89 1HB ARG 13 2HB ARG 13 -4.851 -4.738 -4.738 90 2HB ARG 13 1HB ARG 13 -6.189 -5.282 -5.282 91 1HG ARG 13 2HG ARG 13 -6.569 -7.138 -7.138 92 2HG ARG 13 1HG ARG 13 -4.868 -7.563 -7.563 93 1HD ARG 13 2HD ARG 13 -4.615 -5.756 -5.756 94 2HD ARG 13 1HD ARG 13 -6.376 -5.595 -5.595 95 HE ARG 13 HE ARG 13 -5.134 -8.264 -8.264 96 1HH1 ARG 13 2HH1 ARG 13 -6.997 -5.564 -5.564 97 2HH1 ARG 13 1HH1 ARG 13 -7.455 -6.362 -6.362 98 1HH2 ARG 13 1HH2 ARG 13 -5.774 -9.310 -9.310 99 2HH2 ARG 13 2HH2 ARG 13 -6.781 -8.515 -8.515 100 1HN CGU 14 HN GLA 14 -5.449 -5.746 -5.746 101 HA CGU 14 HA GLA 14 -6.726 -8.360 -8.360 102 1HB CGU 14 1HB GLA 14 -6.990 -7.142 -7.142 103 2HB CGU 14 2HB GLA 14 -6.804 -5.779 -5.779 104 HG CGU 14 HG GLA 14 -8.537 -7.208 -7.208 105 H LYS 15 H LYS 15 -3.738 -7.060 -7.060 106 HA LYS 15 HA LYS 15 -3.191 -8.823 -8.823 107 1HB LYS 15 2HB LYS 15 -2.045 -6.642 -6.642 108 2HB LYS 15 1HB LYS 15 -1.264 -7.297 -7.297 109 1HG LYS 15 2HG LYS 15 -0.850 -9.035 -9.035 110 2HG LYS 15 1HG LYS 15 -0.319 -7.401 -7.401 111 1HD LYS 15 2HD LYS 15 0.545 -9.016 -9.016 112 2HD LYS 15 1HD LYS 15 1.472 -8.898 -8.898 113 1HE LYS 15 2HE LYS 15 1.243 -6.271 -6.271 114 2HE LYS 15 1HE LYS 15 0.934 -6.751 -6.751 115 1HZ LYS 15 2HZ LYS 15 3.229 -7.910 -7.910 116 2HZ LYS 15 1HZ LYS 15 3.327 -6.312 -6.312 117 3HZ LYS 15 3HZ LYS 15 3.014 -7.579 -7.579 118 H SER 16 H SER 16 -1.567 -8.751 -8.751 119 HA SER 16 HA SER 16 -0.594 -10.381 -10.381 120 1HB SER 16 2HB SER 16 -2.850 -11.146 -11.146 121 2HB SER 16 1HB SER 16 -3.013 -11.946 -11.946 122 HG SER 16 HG SER 16 -0.959 -12.578 -12.578 123 H ASN 17 H ASN 17 -1.664 -12.635 -12.635 124 HA ASN 17 HA ASN 17 0.808 -14.009 -14.009 125 1HB ASN 17 2HB ASN 17 -1.844 -14.092 -14.092 126 2HB ASN 17 1HB ASN 17 -0.622 -14.355 -14.355 127 1HD2 ASN 17 2HD2 ASN 17 -1.584 -17.631 -17.631 128 2HD2 ASN 17 1HD2 ASN 17 -2.446 -16.384 -16.384 129 1HN NH2 18 1HT ASN 17 -0.268 -11.094 -11.094 130 2HN NH2 18 2HT ASN 17 1.102 -10.914 -10.914 Start of MODEL 12 1 1H GLY 1 2H GLY 1 -0.429 10.171 10.171 2 2H GLY 1 1H GLY 1 -2.006 10.644 10.644 3 3H GLY 1 3H GLY 1 -0.687 11.224 11.224 4 1HA GLY 1 1HA GLY 1 0.071 12.535 12.535 5 2HA GLY 1 2HA GLY 1 -1.725 12.770 12.770 6 H GLU 2 H GLU 2 -0.629 13.541 13.541 7 HA GLU 2 HA GLU 2 -0.356 11.420 11.420 8 1HB GLU 2 2HB GLU 2 -0.242 13.280 13.280 9 2HB GLU 2 1HB GLU 2 0.811 13.549 13.549 10 1HG GLU 2 2HG GLU 2 -1.733 14.770 14.770 11 2HG GLU 2 1HG GLU 2 -1.373 15.216 15.216 12 1HN CGU 3 HN GLA 3 -2.923 13.530 13.530 13 HA CGU 3 HA GLA 3 -4.792 13.055 13.055 14 1HB CGU 3 1HB GLA 3 -5.071 14.943 14.943 15 2HB CGU 3 2HB GLA 3 -6.425 13.894 13.894 16 HG CGU 3 HG GLA 3 -4.401 12.983 12.983 17 1HN CGU 4 HN GLA 4 -4.076 11.314 11.314 18 HA CGU 4 HA GLA 4 -6.287 9.372 9.372 19 1HB CGU 4 1HB GLA 4 -6.228 10.220 10.220 20 2HB CGU 4 2HB GLA 4 -5.703 8.568 8.568 21 HG CGU 4 HG GLA 4 -3.500 10.541 10.541 22 H LEU 5 H LEU 5 -3.722 9.596 9.596 23 HA LEU 5 HA LEU 5 -2.393 7.034 7.034 24 1HB LEU 5 2HB LEU 5 -0.502 7.933 7.933 25 2HB LEU 5 1HB LEU 5 -1.343 9.430 9.430 26 HG LEU 5 HG LEU 5 -2.195 9.101 9.101 27 1HD1 LEU 5 2HD1 LEU 5 -0.317 6.823 6.823 28 2HD1 LEU 5 1HD1 LEU 5 0.096 7.840 7.840 29 3HD1 LEU 5 3HD1 LEU 5 -1.499 7.140 7.140 30 1HD2 LEU 5 1HD2 LEU 5 0.473 10.050 10.050 31 2HD2 LEU 5 3HD2 LEU 5 -0.785 10.936 10.936 32 3HD2 LEU 5 2HD2 LEU 5 0.297 9.906 9.906 33 H GLN 6 H GLN 6 -4.682 8.102 8.102 34 HA GLN 6 HA GLN 6 -3.808 5.969 5.969 35 1HB GLN 6 2HB GLN 6 -5.744 6.805 6.805 36 2HB GLN 6 1HB GLN 6 -4.458 7.946 7.946 37 1HG GLN 6 2HG GLN 6 -5.865 8.937 8.937 38 2HG GLN 6 1HG GLN 6 -7.175 7.868 7.868 39 1HE2 GLN 6 2HE2 GLN 6 -7.625 9.633 9.633 40 2HE2 GLN 6 1HE2 GLN 6 -7.605 8.048 8.048 41 1HN CGU 7 HN GLA 7 -6.577 6.583 6.583 42 HA CGU 7 HA GLA 7 -8.095 4.266 4.266 43 1HB CGU 7 1HB GLA 7 -9.520 5.786 5.786 44 2HB CGU 7 2HB GLA 7 -9.191 4.774 4.774 45 HG CGU 7 HG GLA 7 -9.026 7.014 7.014 46 H ASN 8 H ASN 8 -5.300 4.581 4.581 47 HA ASN 8 HA ASN 8 -5.523 2.353 2.353 48 1HB ASN 8 2HB ASN 8 -3.552 4.526 4.526 49 2HB ASN 8 1HB ASN 8 -2.862 3.042 3.042 50 1HD2 ASN 8 2HD2 ASN 8 -3.490 4.333 4.333 51 2HD2 ASN 8 1HD2 ASN 8 -2.326 3.824 3.824 52 H GLN 9 H GLN 9 -4.416 2.961 2.961 53 HA GLN 9 HA GLN 9 -2.651 0.703 0.703 54 1HB GLN 9 2HB GLN 9 -4.099 2.519 2.519 55 2HB GLN 9 1HB GLN 9 -3.190 1.137 1.137 56 1HG GLN 9 2HG GLN 9 -1.169 1.974 1.974 57 2HG GLN 9 1HG GLN 9 -2.084 3.413 3.413 58 1HE2 GLN 9 2HE2 GLN 9 -1.736 4.903 4.903 59 2HE2 GLN 9 1HE2 GLN 9 -2.546 4.959 4.959 60 1HN CGU 10 HN GLA 10 -5.837 0.673 0.673 61 HA CGU 10 HA GLA 10 -6.469 -1.714 -1.714 62 1HB CGU 10 1HB GLA 10 -8.269 -0.342 -0.342 63 2HB CGU 10 2HB GLA 10 -8.199 0.196 0.196 64 HG CGU 10 HG GLA 10 -8.553 -2.739 -2.739 65 H LEU 11 H LEU 11 -6.246 -0.610 -0.610 66 HA LEU 11 HA LEU 11 -6.736 -3.072 -3.072 67 1HB LEU 11 2HB LEU 11 -6.195 -1.951 -1.951 68 2HB LEU 11 1HB LEU 11 -6.380 -0.576 -0.576 69 HG LEU 11 HG LEU 11 -3.702 -0.947 -0.947 70 1HD1 LEU 11 1HD1 LEU 11 -3.691 -3.008 -3.008 71 2HD1 LEU 11 3HD1 LEU 11 -4.175 -1.963 -1.963 72 3HD1 LEU 11 2HD1 LEU 11 -2.625 -1.727 -1.727 73 1HD2 LEU 11 2HD2 LEU 11 -4.994 1.055 1.055 74 2HD2 LEU 11 1HD2 LEU 11 -3.346 0.816 0.816 75 3HD2 LEU 11 3HD2 LEU 11 -4.697 0.318 0.318 76 H ILE 12 H ILE 12 -3.831 -1.843 -1.843 77 HA ILE 12 HA ILE 12 -1.980 -3.699 -3.699 78 HB ILE 12 HB ILE 12 -1.464 -1.582 -1.582 79 1HG1 ILE 12 2HG1 ILE 12 0.534 -2.608 -2.608 80 2HG1 ILE 12 1HG1 ILE 12 -0.057 -4.185 -4.185 81 1HG2 ILE 12 3HG2 ILE 12 -3.064 -2.265 -2.265 82 2HG2 ILE 12 2HG2 ILE 12 -1.808 -3.325 -3.325 83 3HG2 ILE 12 1HG2 ILE 12 -1.529 -1.592 -1.592 84 1HD1 ILE 12 3HD1 ILE 12 0.575 -1.913 -1.913 85 2HD1 ILE 12 2HD1 ILE 12 1.675 -3.232 -3.232 86 3HD1 ILE 12 1HD1 ILE 12 0.152 -3.565 -3.565 87 H ARG 13 H ARG 13 -4.239 -3.918 -3.918 88 HA ARG 13 HA ARG 13 -3.305 -6.387 -6.387 89 1HB ARG 13 2HB ARG 13 -4.772 -4.722 -4.722 90 2HB ARG 13 1HB ARG 13 -6.088 -5.120 -5.120 91 1HG ARG 13 2HG ARG 13 -6.171 -7.428 -7.428 92 2HG ARG 13 1HG ARG 13 -4.756 -7.169 -7.169 93 1HD ARG 13 2HD ARG 13 -6.895 -6.987 -6.987 94 2HD ARG 13 1HD ARG 13 -5.994 -5.478 -5.478 95 HE ARG 13 HE ARG 13 -7.701 -4.465 -4.465 96 1HH1 ARG 13 2HH1 ARG 13 -8.070 -7.938 -7.938 97 2HH1 ARG 13 1HH1 ARG 13 -9.611 -7.807 -7.807 98 1HH2 ARG 13 1HH2 ARG 13 -9.693 -4.361 -4.361 99 2HH2 ARG 13 2HH2 ARG 13 -10.516 -5.832 -5.832 100 1HN CGU 14 HN GLA 14 -5.775 -5.572 -5.572 101 HA CGU 14 HA GLA 14 -6.755 -8.248 -8.248 102 1HB CGU 14 1HB GLA 14 -7.609 -7.193 -7.193 103 2HB CGU 14 2HB GLA 14 -6.931 -5.700 -5.700 104 HG CGU 14 HG GLA 14 -8.529 -7.149 -7.149 105 H LYS 15 H LYS 15 -4.426 -6.339 -6.339 106 HA LYS 15 HA LYS 15 -3.963 -8.496 -8.496 107 1HB LYS 15 2HB LYS 15 -2.102 -7.163 -7.163 108 2HB LYS 15 1HB LYS 15 -3.472 -6.118 -6.118 109 1HG LYS 15 2HG LYS 15 -2.491 -5.352 -5.352 110 2HG LYS 15 1HG LYS 15 -1.142 -6.453 -6.453 111 1HD LYS 15 2HD LYS 15 -1.674 -4.573 -4.573 112 2HD LYS 15 1HD LYS 15 -1.002 -3.885 -3.885 113 1HE LYS 15 2HE LYS 15 1.059 -4.773 -4.773 114 2HE LYS 15 1HE LYS 15 0.410 -6.370 -6.370 115 1HZ LYS 15 1HZ LYS 15 -0.288 -5.425 -5.425 116 2HZ LYS 15 3HZ LYS 15 0.714 -4.100 -4.100 117 3HZ LYS 15 2HZ LYS 15 1.376 -5.659 -5.659 118 H SER 16 H SER 16 -2.674 -7.799 -7.799 119 HA SER 16 HA SER 16 -0.340 -9.561 -9.561 120 1HB SER 16 2HB SER 16 0.061 -9.003 -9.003 121 2HB SER 16 1HB SER 16 -0.270 -7.527 -7.527 122 HG SER 16 HG SER 16 -1.539 -8.036 -8.036 123 H ASN 17 H ASN 17 -3.062 -10.620 -10.620 124 HA ASN 17 HA ASN 17 -4.315 -12.510 -12.510 125 1HB ASN 17 2HB ASN 17 -1.897 -13.443 -13.443 126 2HB ASN 17 1HB ASN 17 -1.853 -13.567 -13.567 127 1HD2 ASN 17 2HD2 ASN 17 -2.949 -16.855 -16.855 128 2HD2 ASN 17 1HD2 ASN 17 -1.549 -15.898 -15.898 129 1HN NH2 18 1HT ASN 17 -4.660 -10.375 -10.375 130 2HN NH2 18 2HT ASN 17 -5.073 -11.052 -11.052 Start of MODEL 13 1 1H GLY 1 1H GLY 1 0.565 11.094 11.094 2 2H GLY 1 3H GLY 1 2.189 11.549 11.549 3 3H GLY 1 2H GLY 1 1.792 9.931 9.931 4 1HA GLY 1 1HA GLY 1 2.660 10.945 10.945 5 2HA GLY 1 2HA GLY 1 1.393 12.233 12.233 6 H GLU 2 H GLU 2 1.142 11.281 11.281 7 HA GLU 2 HA GLU 2 -0.239 8.724 8.724 8 1HB GLU 2 2HB GLU 2 -0.119 10.865 10.865 9 2HB GLU 2 1HB GLU 2 -0.336 9.143 9.143 10 1HG GLU 2 2HG GLU 2 2.196 10.592 10.592 11 2HG GLU 2 1HG GLU 2 1.968 9.590 9.590 12 1HN CGU 3 HN GLA 3 -1.271 12.049 12.049 13 HA CGU 3 HA GLA 3 -3.924 11.801 11.801 14 1HB CGU 3 1HB GLA 3 -2.380 13.844 13.844 15 2HB CGU 3 2HB GLA 3 -4.083 13.992 13.992 16 HG CGU 3 HG GLA 3 -3.166 13.099 13.099 17 1HN CGU 4 HN GLA 4 -2.521 10.958 10.958 18 HA CGU 4 HA GLA 4 -5.137 10.126 10.126 19 1HB CGU 4 1HB GLA 4 -3.919 11.632 11.632 20 2HB CGU 4 2HB GLA 4 -3.885 10.050 10.050 21 HG CGU 4 HG GLA 4 -1.656 10.049 10.049 22 H LEU 5 H LEU 5 -2.331 8.801 8.801 23 HA LEU 5 HA LEU 5 -2.575 6.210 6.210 24 1HB LEU 5 2HB LEU 5 -0.629 7.380 7.380 25 2HB LEU 5 1HB LEU 5 -0.689 5.649 5.649 26 HG LEU 5 HG LEU 5 -0.271 7.550 7.550 27 1HD1 LEU 5 2HD1 LEU 5 1.628 7.530 7.530 28 2HD1 LEU 5 1HD1 LEU 5 1.787 5.805 5.805 29 3HD1 LEU 5 3HD1 LEU 5 2.087 6.939 6.939 30 1HD2 LEU 5 3HD2 LEU 5 -0.399 4.535 4.535 31 2HD2 LEU 5 2HD2 LEU 5 -1.088 5.563 5.563 32 3HD2 LEU 5 1HD2 LEU 5 0.633 5.243 5.243 33 H GLN 6 H GLN 6 -3.719 7.660 7.660 34 HA GLN 6 HA GLN 6 -3.976 5.478 5.478 35 1HB GLN 6 2HB GLN 6 -5.978 6.769 6.769 36 2HB GLN 6 1HB GLN 6 -4.515 7.718 7.718 37 1HG GLN 6 2HG GLN 6 -5.431 8.479 8.479 38 2HG GLN 6 1HG GLN 6 -6.960 7.761 7.761 39 1HE2 GLN 6 2HE2 GLN 6 -7.845 10.579 10.579 40 2HE2 GLN 6 1HE2 GLN 6 -8.329 9.187 9.187 41 1HN CGU 7 HN GLA 7 -6.017 6.464 6.464 42 HA CGU 7 HA GLA 7 -8.072 4.460 4.460 43 1HB CGU 7 1HB GLA 7 -8.622 6.436 6.436 44 2HB CGU 7 2HB GLA 7 -8.717 5.106 5.106 45 HG CGU 7 HG GLA 7 -5.983 6.209 6.209 46 H ASN 8 H ASN 8 -5.083 4.672 4.672 47 HA ASN 8 HA ASN 8 -5.411 2.217 2.217 48 1HB ASN 8 2HB ASN 8 -2.890 3.811 3.811 49 2HB ASN 8 1HB ASN 8 -2.967 2.510 2.510 50 1HD2 ASN 8 2HD2 ASN 8 -4.975 4.464 4.464 51 2HD2 ASN 8 1HD2 ASN 8 -4.852 2.881 2.881 52 H GLN 9 H GLN 9 -4.620 2.957 2.957 53 HA GLN 9 HA GLN 9 -2.921 0.726 0.726 54 1HB GLN 9 2HB GLN 9 -3.499 3.003 3.003 55 2HB GLN 9 1HB GLN 9 -4.702 1.993 1.993 56 1HG GLN 9 2HG GLN 9 -2.825 0.336 0.336 57 2HG GLN 9 1HG GLN 9 -1.688 1.540 1.540 58 1HE2 GLN 9 2HE2 GLN 9 -2.481 3.847 3.847 59 2HE2 GLN 9 1HE2 GLN 9 -2.263 3.880 3.880 60 1HN CGU 10 HN GLA 10 -6.221 0.893 0.893 61 HA CGU 10 HA GLA 10 -6.823 -1.553 -1.553 62 1HB CGU 10 1HB GLA 10 -8.955 -0.427 -0.427 63 2HB CGU 10 2HB GLA 10 -8.372 0.722 0.722 64 HG CGU 10 HG GLA 10 -8.840 -0.829 -0.829 65 H LEU 11 H LEU 11 -6.309 -0.526 -0.526 66 HA LEU 11 HA LEU 11 -7.189 -3.191 -3.191 67 1HB LEU 11 2HB LEU 11 -6.591 -2.299 -2.299 68 2HB LEU 11 1HB LEU 11 -7.734 -1.289 -1.289 69 HG LEU 11 HG LEU 11 -5.623 0.093 0.093 70 1HD1 LEU 11 1HD1 LEU 11 -4.507 -1.697 -1.697 71 2HD1 LEU 11 3HD1 LEU 11 -3.968 -0.029 -0.029 72 3HD1 LEU 11 2HD1 LEU 11 -3.711 -1.052 -1.052 73 1HD2 LEU 11 3HD2 LEU 11 -6.924 0.082 0.082 74 2HD2 LEU 11 2HD2 LEU 11 -7.210 1.169 1.169 75 3HD2 LEU 11 1HD2 LEU 11 -5.736 1.300 1.300 76 H ILE 12 H ILE 12 -4.349 -1.665 -1.665 77 HA ILE 12 HA ILE 12 -2.502 -3.355 -3.355 78 HB ILE 12 HB ILE 12 -1.991 -1.029 -1.029 79 1HG1 ILE 12 2HG1 ILE 12 0.004 -3.200 -3.200 80 2HG1 ILE 12 1HG1 ILE 12 -0.290 -2.731 -2.731 81 1HG2 ILE 12 2HG2 ILE 12 -2.919 -1.728 -1.728 82 2HG2 ILE 12 1HG2 ILE 12 -1.392 -2.556 -2.556 83 3HG2 ILE 12 3HG2 ILE 12 -1.420 -0.817 -0.817 84 1HD1 ILE 12 2HD1 ILE 12 0.282 -0.348 -0.348 85 2HD1 ILE 12 1HD1 ILE 12 0.732 -0.919 -0.919 86 3HD1 ILE 12 3HD1 ILE 12 1.620 -1.469 -1.469 87 H ARG 13 H ARG 13 -4.205 -3.513 -3.513 88 HA ARG 13 HA ARG 13 -2.630 -5.670 -5.670 89 1HB ARG 13 2HB ARG 13 -4.525 -5.947 -5.947 90 2HB ARG 13 1HB ARG 13 -4.054 -4.270 -4.270 91 1HG ARG 13 2HG ARG 13 -6.241 -3.820 -3.820 92 2HG ARG 13 1HG ARG 13 -5.934 -4.509 -4.509 93 1HD ARG 13 2HD ARG 13 -6.534 -6.807 -6.807 94 2HD ARG 13 1HD ARG 13 -7.164 -5.884 -5.884 95 HE ARG 13 HE ARG 13 -8.201 -4.799 -4.799 96 1HH1 ARG 13 2HH1 ARG 13 -8.439 -7.572 -7.572 97 2HH1 ARG 13 1HH1 ARG 13 -10.080 -7.900 -7.900 98 1HH2 ARG 13 1HH2 ARG 13 -10.280 -5.194 -5.194 99 2HH2 ARG 13 2HH2 ARG 13 -11.133 -6.542 -6.542 100 1HN CGU 14 HN GLA 14 -5.537 -5.568 -5.568 101 HA CGU 14 HA GLA 14 -5.865 -8.482 -8.482 102 1HB CGU 14 1HB GLA 14 -7.852 -7.116 -7.116 103 2HB CGU 14 2HB GLA 14 -7.693 -8.087 -8.087 104 HG CGU 14 HG GLA 14 -6.695 -5.248 -5.248 105 H LYS 15 H LYS 15 -4.309 -6.108 -6.108 106 HA LYS 15 HA LYS 15 -3.688 -8.122 -8.122 107 1HB LYS 15 2HB LYS 15 -4.385 -5.534 -5.534 108 2HB LYS 15 1HB LYS 15 -2.671 -5.279 -5.279 109 1HG LYS 15 2HG LYS 15 -2.758 -5.585 -5.585 110 2HG LYS 15 1HG LYS 15 -2.493 -7.244 -7.244 111 1HD LYS 15 2HD LYS 15 -5.378 -6.429 -6.429 112 2HD LYS 15 1HD LYS 15 -4.583 -6.337 -6.337 113 1HE LYS 15 2HE LYS 15 -4.149 -8.642 -8.642 114 2HE LYS 15 1HE LYS 15 -4.243 -8.848 -8.848 115 1HZ LYS 15 2HZ LYS 15 -6.614 -8.378 -8.378 116 2HZ LYS 15 1HZ LYS 15 -6.504 -8.262 -8.262 117 3HZ LYS 15 3HZ LYS 15 -6.178 -9.739 -9.739 118 H SER 16 H SER 16 -2.593 -8.090 -8.090 119 HA SER 16 HA SER 16 0.181 -7.340 -7.340 120 1HB SER 16 2HB SER 16 -1.458 -9.206 -9.206 121 2HB SER 16 1HB SER 16 0.280 -8.970 -8.970 122 HG SER 16 HG SER 16 -1.656 -7.374 -7.374 123 H ASN 17 H ASN 17 1.227 -8.119 -8.119 124 HA ASN 17 HA ASN 17 1.717 -11.053 -11.053 125 1HB ASN 17 2HB ASN 17 1.121 -9.286 -9.286 126 2HB ASN 17 1HB ASN 17 1.492 -11.005 -11.005 127 1HD2 ASN 17 2HD2 ASN 17 -1.717 -11.939 -11.939 128 2HD2 ASN 17 1HD2 ASN 17 -0.077 -12.367 -12.367 129 1HN NH2 18 1HT ASN 17 3.846 -11.590 -11.590 130 2HN NH2 18 2HT ASN 17 5.056 -10.414 -10.414 Start of MODEL 14 1 1H GLY 1 3H GLY 1 2.921 10.179 10.179 2 2H GLY 1 2H GLY 1 1.871 9.249 9.249 3 3H GLY 1 1H GLY 1 2.347 10.795 10.795 4 1HA GLY 1 1HA GLY 1 1.240 11.792 11.792 5 2HA GLY 1 2HA GLY 1 0.116 10.786 10.786 6 H GLU 2 H GLU 2 1.660 11.192 11.192 7 HA GLU 2 HA GLU 2 1.119 8.584 8.584 8 1HB GLU 2 2HB GLU 2 1.809 11.301 11.301 9 2HB GLU 2 1HB GLU 2 1.412 9.967 9.967 10 1HG GLU 2 2HG GLU 2 3.883 10.132 10.132 11 2HG GLU 2 1HG GLU 2 3.231 8.597 8.597 12 1HN CGU 3 HN GLA 3 -0.533 11.671 11.671 13 HA CGU 3 HA GLA 3 -2.739 10.758 10.758 14 1HB CGU 3 1HB GLA 3 -3.011 13.014 13.014 15 2HB CGU 3 2HB GLA 3 -3.802 12.911 12.911 16 HG CGU 3 HG GLA 3 -0.810 13.332 13.332 17 1HN CGU 4 HN GLA 4 -1.868 10.306 10.306 18 HA CGU 4 HA GLA 4 -4.612 9.590 9.590 19 1HB CGU 4 1HB GLA 4 -3.557 9.479 9.479 20 2HB CGU 4 2HB GLA 4 -2.009 9.857 9.857 21 HG CGU 4 HG GLA 4 -3.071 11.923 11.923 22 H LEU 5 H LEU 5 -1.817 8.247 8.247 23 HA LEU 5 HA LEU 5 -1.835 5.673 5.673 24 1HB LEU 5 2HB LEU 5 0.120 5.409 5.409 25 2HB LEU 5 1HB LEU 5 -0.102 7.060 7.060 26 HG LEU 5 HG LEU 5 -1.454 6.169 6.169 27 1HD1 LEU 5 1HD1 LEU 5 -1.001 3.666 3.666 28 2HD1 LEU 5 3HD1 LEU 5 0.049 3.656 3.656 29 3HD1 LEU 5 2HD1 LEU 5 -1.673 3.915 3.915 30 1HD2 LEU 5 1HD2 LEU 5 1.533 5.709 5.709 31 2HD2 LEU 5 3HD2 LEU 5 0.733 7.151 7.151 32 3HD2 LEU 5 2HD2 LEU 5 0.686 5.673 5.673 33 H GLN 6 H GLN 6 -3.286 7.066 7.066 34 HA GLN 6 HA GLN 6 -4.372 4.750 4.750 35 1HB GLN 6 2HB GLN 6 -4.123 7.030 7.030 36 2HB GLN 6 1HB GLN 6 -5.439 7.604 7.604 37 1HG GLN 6 2HG GLN 6 -6.241 5.170 5.170 38 2HG GLN 6 1HG GLN 6 -5.601 6.372 6.372 39 1HE2 GLN 6 2HE2 GLN 6 -8.982 7.318 7.318 40 2HE2 GLN 6 1HE2 GLN 6 -7.879 6.211 6.211 41 1HN CGU 7 HN GLA 7 -5.310 6.372 6.372 42 HA CGU 7 HA GLA 7 -8.098 5.416 5.416 43 1HB CGU 7 1HB GLA 7 -8.410 6.695 6.695 44 2HB CGU 7 2HB GLA 7 -6.791 6.403 6.403 45 HG CGU 7 HG GLA 7 -5.904 7.931 7.931 46 H ASN 8 H ASN 8 -5.095 4.799 4.799 47 HA ASN 8 HA ASN 8 -6.174 2.400 2.400 48 1HB ASN 8 2HB ASN 8 -3.439 3.734 3.734 49 2HB ASN 8 1HB ASN 8 -4.003 2.442 2.442 50 1HD2 ASN 8 2HD2 ASN 8 -6.028 4.570 4.570 51 2HD2 ASN 8 1HD2 ASN 8 -5.620 2.964 2.964 52 H GLN 9 H GLN 9 -5.119 2.851 2.851 53 HA GLN 9 HA GLN 9 -3.078 0.865 0.865 54 1HB GLN 9 2HB GLN 9 -3.512 1.045 1.045 55 2HB GLN 9 1HB GLN 9 -3.678 2.647 2.647 56 1HG GLN 9 2HG GLN 9 -6.194 2.273 2.273 57 2HG GLN 9 1HG GLN 9 -5.964 0.750 0.750 58 1HE2 GLN 9 2HE2 GLN 9 -6.815 3.019 3.019 59 2HE2 GLN 9 1HE2 GLN 9 -7.564 2.207 2.207 60 1HN CGU 10 HN GLA 10 -6.573 0.665 0.665 61 HA CGU 10 HA GLA 10 -6.715 -2.020 -2.020 62 1HB CGU 10 1HB GLA 10 -8.907 -1.046 -1.046 63 2HB CGU 10 2HB GLA 10 -8.528 0.012 0.012 64 HG CGU 10 HG GLA 10 -10.256 -1.398 -1.398 65 H LEU 11 H LEU 11 -6.609 -0.728 -0.728 66 HA LEU 11 HA LEU 11 -7.033 -3.277 -3.277 67 1HB LEU 11 2HB LEU 11 -6.813 -2.092 -2.092 68 2HB LEU 11 1HB LEU 11 -7.058 -0.749 -0.749 69 HG LEU 11 HG LEU 11 -4.441 -0.650 -0.650 70 1HD1 LEU 11 3HD1 LEU 11 -4.850 -2.732 -2.732 71 2HD1 LEU 11 2HD1 LEU 11 -3.742 -1.458 -1.458 72 3HD1 LEU 11 1HD1 LEU 11 -3.432 -2.399 -2.399 73 1HD2 LEU 11 2HD2 LEU 11 -5.875 1.040 1.040 74 2HD2 LEU 11 1HD2 LEU 11 -4.372 0.793 0.793 75 3HD2 LEU 11 3HD2 LEU 11 -5.860 0.069 0.069 76 H ILE 12 H ILE 12 -4.190 -1.672 -1.672 77 HA ILE 12 HA ILE 12 -2.294 -3.559 -3.559 78 HB ILE 12 HB ILE 12 -2.014 -1.456 -1.456 79 1HG1 ILE 12 2HG1 ILE 12 -0.765 -1.360 -1.360 80 2HG1 ILE 12 1HG1 ILE 12 -2.423 -0.854 -0.854 81 1HG2 ILE 12 1HG2 ILE 12 0.083 -3.257 -3.257 82 2HG2 ILE 12 3HG2 ILE 12 0.507 -1.775 -1.775 83 3HG2 ILE 12 2HG2 ILE 12 -0.267 -3.082 -3.082 84 1HD1 ILE 12 1HD1 ILE 12 -1.553 0.682 0.682 85 2HD1 ILE 12 3HD1 ILE 12 0.047 0.363 0.363 86 3HD1 ILE 12 2HD1 ILE 12 -1.167 1.145 1.145 87 H ARG 13 H ARG 13 -3.796 -3.067 -3.067 88 HA ARG 13 HA ARG 13 -2.480 -5.041 -5.041 89 1HB ARG 13 2HB ARG 13 -5.188 -3.713 -3.713 90 2HB ARG 13 1HB ARG 13 -4.773 -4.948 -4.948 91 1HG ARG 13 2HG ARG 13 -3.127 -3.658 -3.658 92 2HG ARG 13 1HG ARG 13 -2.769 -2.746 -2.746 93 1HD ARG 13 2HD ARG 13 -4.134 -1.072 -1.072 94 2HD ARG 13 1HD ARG 13 -5.513 -2.161 -2.161 95 HE ARG 13 HE ARG 13 -3.831 -2.448 -2.448 96 1HH1 ARG 13 2HH1 ARG 13 -6.330 -0.581 -0.581 97 2HH1 ARG 13 1HH1 ARG 13 -6.962 0.003 0.003 98 1HH2 ARG 13 1HH2 ARG 13 -4.618 -1.737 -1.737 99 2HH2 ARG 13 2HH2 ARG 13 -5.981 -0.668 -0.668 100 1HN CGU 14 HN GLA 14 -5.468 -5.207 -5.207 101 HA CGU 14 HA GLA 14 -6.014 -7.979 -7.979 102 1HB CGU 14 1HB GLA 14 -7.524 -7.524 -7.524 103 2HB CGU 14 2HB GLA 14 -7.053 -5.869 -5.869 104 HG CGU 14 HG GLA 14 -8.918 -5.885 -5.885 105 H LYS 15 H LYS 15 -3.836 -6.471 -6.471 106 HA LYS 15 HA LYS 15 -3.556 -8.886 -8.886 107 1HB LYS 15 2HB LYS 15 -2.650 -5.998 -5.998 108 2HB LYS 15 1HB LYS 15 -2.078 -7.275 -7.275 109 1HG LYS 15 2HG LYS 15 -4.391 -7.823 -7.823 110 2HG LYS 15 1HG LYS 15 -5.023 -6.623 -6.623 111 1HD LYS 15 2HD LYS 15 -3.496 -4.936 -4.936 112 2HD LYS 15 1HD LYS 15 -3.471 -6.199 -6.199 113 1HE LYS 15 2HE LYS 15 -5.983 -4.909 -4.909 114 2HE LYS 15 1HE LYS 15 -5.315 -4.605 -4.605 115 1HZ LYS 15 2HZ LYS 15 -5.584 -7.025 -7.025 116 2HZ LYS 15 1HZ LYS 15 -6.454 -7.131 -7.131 117 3HZ LYS 15 3HZ LYS 15 -7.034 -6.160 -6.160 118 H SER 16 H SER 16 -2.206 -7.348 -7.348 119 HA SER 16 HA SER 16 0.579 -8.111 -8.111 120 1HB SER 16 2HB SER 16 -1.041 -7.107 -7.107 121 2HB SER 16 1HB SER 16 0.669 -7.538 -7.538 122 HG SER 16 HG SER 16 1.110 -6.113 -6.113 123 H ASN 17 H ASN 17 0.413 -10.249 -10.249 124 HA ASN 17 HA ASN 17 0.556 -12.173 -12.173 125 1HB ASN 17 2HB ASN 17 -1.437 -13.582 -13.582 126 2HB ASN 17 1HB ASN 17 -1.799 -12.401 -12.401 127 1HD2 ASN 17 2HD2 ASN 17 -2.707 -11.505 -11.505 128 2HD2 ASN 17 1HD2 ASN 17 -1.522 -12.674 -12.674 129 1HN NH2 18 1HT ASN 17 0.220 -11.578 -11.578 130 2HN NH2 18 2HT ASN 17 1.275 -12.818 -12.818 Start of MODEL 15 1 1H GLY 1 3H GLY 1 -0.905 13.942 13.942 2 2H GLY 1 2H GLY 1 -0.016 13.965 13.965 3 3H GLY 1 1H GLY 1 -1.555 13.245 13.245 4 1HA GLY 1 1HA GLY 1 0.118 11.585 11.585 5 2HA GLY 1 2HA GLY 1 0.818 12.333 12.333 6 H GLU 2 H GLU 2 -0.829 12.704 12.704 7 HA GLU 2 HA GLU 2 -1.845 10.259 10.259 8 1HB GLU 2 2HB GLU 2 -2.591 13.115 13.115 9 2HB GLU 2 1HB GLU 2 -3.103 11.715 11.715 10 1HG GLU 2 2HG GLU 2 -0.604 11.082 11.082 11 2HG GLU 2 1HG GLU 2 -0.250 12.678 12.678 12 1HN CGU 3 HN GLA 3 -3.212 12.468 12.468 13 HA CGU 3 HA GLA 3 -5.958 12.082 12.082 14 1HB CGU 3 1HB GLA 3 -5.155 12.274 12.274 15 2HB CGU 3 2HB GLA 3 -4.190 13.346 13.346 16 HG CGU 3 HG GLA 3 -6.251 14.211 14.211 17 1HN CGU 4 HN GLA 4 -3.666 10.343 10.343 18 HA CGU 4 HA GLA 4 -5.669 8.189 8.189 19 1HB CGU 4 1HB GLA 4 -4.176 7.520 7.520 20 2HB CGU 4 2HB GLA 4 -3.086 8.826 8.826 21 HG CGU 4 HG GLA 4 -4.813 10.482 10.482 22 H LEU 5 H LEU 5 -2.957 8.730 8.730 23 HA LEU 5 HA LEU 5 -1.813 6.094 6.094 24 1HB LEU 5 2HB LEU 5 -1.774 8.362 8.362 25 2HB LEU 5 1HB LEU 5 -1.109 6.828 6.828 26 HG LEU 5 HG LEU 5 -0.229 8.174 8.174 27 1HD1 LEU 5 1HD1 LEU 5 0.248 9.684 9.684 28 2HD1 LEU 5 3HD1 LEU 5 1.110 8.369 8.369 29 3HD1 LEU 5 2HD1 LEU 5 1.716 9.052 9.052 30 1HD2 LEU 5 3HD2 LEU 5 0.938 5.964 5.964 31 2HD2 LEU 5 2HD2 LEU 5 0.343 5.800 5.800 32 3HD2 LEU 5 1HD2 LEU 5 1.809 6.708 6.708 33 H GLN 6 H GLN 6 -4.400 7.506 7.506 34 HA GLN 6 HA GLN 6 -4.816 5.352 5.352 35 1HB GLN 6 2HB GLN 6 -5.855 7.497 7.497 36 2HB GLN 6 1HB GLN 6 -6.657 7.522 7.522 37 1HG GLN 6 2HG GLN 6 -8.168 6.966 6.966 38 2HG GLN 6 1HG GLN 6 -8.235 5.800 5.800 39 1HE2 GLN 6 2HE2 GLN 6 -6.275 4.726 4.726 40 2HE2 GLN 6 1HE2 GLN 6 -6.293 6.359 6.359 41 1HN CGU 7 HN GLA 7 -6.893 6.110 6.110 42 HA CGU 7 HA GLA 7 -8.284 3.660 3.660 43 1HB CGU 7 1HB GLA 7 -9.155 5.441 5.441 44 2HB CGU 7 2HB GLA 7 -8.677 4.245 4.245 45 HG CGU 7 HG GLA 7 -6.426 6.003 6.003 46 H ASN 8 H ASN 8 -5.187 4.511 4.511 47 HA ASN 8 HA ASN 8 -4.883 2.139 2.139 48 1HB ASN 8 2HB ASN 8 -3.548 4.191 4.191 49 2HB ASN 8 1HB ASN 8 -2.740 3.999 3.999 50 1HD2 ASN 8 2HD2 ASN 8 -1.866 1.387 1.387 51 2HD2 ASN 8 1HD2 ASN 8 -3.364 2.188 2.188 52 H GLN 9 H GLN 9 -4.139 2.944 2.944 53 HA GLN 9 HA GLN 9 -2.506 0.618 0.618 54 1HB GLN 9 2HB GLN 9 -3.851 2.717 2.717 55 2HB GLN 9 1HB GLN 9 -3.253 1.279 1.279 56 1HG GLN 9 2HG GLN 9 -0.998 1.670 1.670 57 2HG GLN 9 1HG GLN 9 -1.511 2.966 2.966 58 1HE2 GLN 9 2HE2 GLN 9 -2.155 5.223 5.223 59 2HE2 GLN 9 1HE2 GLN 9 -2.909 4.732 4.732 60 1HN CGU 10 HN GLA 10 -5.795 0.931 0.931 61 HA CGU 10 HA GLA 10 -6.450 -1.429 -1.429 62 1HB CGU 10 1HB GLA 10 -8.751 -0.872 -0.872 63 2HB CGU 10 2HB GLA 10 -8.400 0.033 0.033 64 HG CGU 10 HG GLA 10 -7.399 1.814 1.814 65 H LEU 11 H LEU 11 -6.676 -0.367 -0.367 66 HA LEU 11 HA LEU 11 -7.352 -2.984 -2.984 67 1HB LEU 11 2HB LEU 11 -6.859 -2.005 -2.005 68 2HB LEU 11 1HB LEU 11 -7.913 -0.999 -0.999 69 HG LEU 11 HG LEU 11 -5.653 0.201 0.201 70 1HD1 LEU 11 2HD1 LEU 11 -4.771 -1.564 -1.564 71 2HD1 LEU 11 1HD1 LEU 11 -4.382 0.119 0.119 72 3HD1 LEU 11 3HD1 LEU 11 -3.813 -0.667 -0.667 73 1HD2 LEU 11 3HD2 LEU 11 -7.072 0.562 0.562 74 2HD2 LEU 11 2HD2 LEU 11 -7.429 1.385 1.385 75 3HD2 LEU 11 1HD2 LEU 11 -5.945 1.740 1.740 76 H ILE 12 H ILE 12 -4.290 -1.470 -1.470 77 HA ILE 12 HA ILE 12 -2.739 -3.344 -3.344 78 HB ILE 12 HB ILE 12 -1.905 -1.023 -1.023 79 1HG1 ILE 12 2HG1 ILE 12 0.440 -1.850 -1.850 80 2HG1 ILE 12 1HG1 ILE 12 -0.189 -3.481 -3.481 81 1HG2 ILE 12 2HG2 ILE 12 -2.675 -1.451 -1.451 82 2HG2 ILE 12 1HG2 ILE 12 -1.224 -2.419 -2.419 83 3HG2 ILE 12 3HG2 ILE 12 -1.093 -0.715 -0.715 84 1HD1 ILE 12 3HD1 ILE 12 -0.761 -1.794 -1.794 85 2HD1 ILE 12 2HD1 ILE 12 0.787 -2.605 -2.605 86 3HD1 ILE 12 1HD1 ILE 12 -0.693 -3.546 -3.546 87 H ARG 13 H ARG 13 -3.996 -3.161 -3.161 88 HA ARG 13 HA ARG 13 -2.506 -5.374 -5.374 89 1HB ARG 13 2HB ARG 13 -3.808 -3.608 -3.608 90 2HB ARG 13 1HB ARG 13 -5.284 -4.431 -4.431 91 1HG ARG 13 2HG ARG 13 -4.654 -6.442 -6.442 92 2HG ARG 13 1HG ARG 13 -2.995 -5.903 -5.903 93 1HD ARG 13 2HD ARG 13 -3.845 -3.994 -3.994 94 2HD ARG 13 1HD ARG 13 -5.453 -4.723 -4.723 95 HE ARG 13 HE ARG 13 -3.696 -6.763 -6.763 96 1HH1 ARG 13 1HH2 ARG 13 -4.789 -3.674 -3.674 97 2HH1 ARG 13 2HH2 ARG 13 -4.593 -4.090 -4.090 98 1HH2 ARG 13 2HH1 ARG 13 -3.436 -7.309 -7.309 99 2HH2 ARG 13 1HH1 ARG 13 -3.818 -6.178 -6.178 100 1HN CGU 14 HN GLA 14 -5.640 -5.015 -5.015 101 HA CGU 14 HA GLA 14 -6.558 -7.698 -7.698 102 1HB CGU 14 1HB GLA 14 -7.972 -7.002 -7.002 103 2HB CGU 14 2HB GLA 14 -7.096 -5.485 -5.485 104 HG CGU 14 HG GLA 14 -7.798 -5.282 -5.282 105 H LYS 15 H LYS 15 -4.653 -6.037 -6.037 106 HA LYS 15 HA LYS 15 -4.413 -8.337 -8.337 107 1HB LYS 15 2HB LYS 15 -3.398 -5.519 -5.519 108 2HB LYS 15 1HB LYS 15 -2.351 -6.643 -6.643 109 1HG LYS 15 2HG LYS 15 -3.819 -5.832 -5.832 110 2HG LYS 15 1HG LYS 15 -4.412 -7.434 -7.434 111 1HD LYS 15 2HD LYS 15 -5.951 -6.071 -6.071 112 2HD LYS 15 1HD LYS 15 -5.609 -4.740 -4.740 113 1HE LYS 15 2HE LYS 15 -6.432 -6.191 -6.191 114 2HE LYS 15 1HE LYS 15 -6.898 -7.401 -7.401 115 1HZ LYS 15 2HZ LYS 15 -8.121 -5.414 -5.414 116 2HZ LYS 15 1HZ LYS 15 -8.018 -4.738 -4.738 117 3HZ LYS 15 3HZ LYS 15 -8.810 -6.223 -6.223 118 H SER 16 H SER 16 -2.729 -7.152 -7.152 119 HA SER 16 HA SER 16 -0.378 -8.907 -8.907 120 1HB SER 16 2HB SER 16 -1.077 -6.851 -6.851 121 2HB SER 16 1HB SER 16 0.425 -7.787 -7.787 122 HG SER 16 HG SER 16 -0.047 -5.620 -5.620 123 H ASN 17 H ASN 17 -3.032 -9.986 -9.986 124 HA ASN 17 HA ASN 17 -2.480 -11.921 -11.921 125 1HB ASN 17 2HB ASN 17 -4.722 -9.903 -9.903 126 2HB ASN 17 1HB ASN 17 -5.140 -11.538 -11.538 127 1HD2 ASN 17 2HD2 ASN 17 -2.719 -9.291 -9.291 128 2HD2 ASN 17 1HD2 ASN 17 -3.065 -8.772 -8.772 129 1HN NH2 18 1HT ASN 17 -4.349 -10.921 -10.921 130 2HN NH2 18 2HT ASN 17 -4.802 -12.488 -12.488 Start of MODEL 16 1 1H GLY 1 2H GLY 1 2.277 13.170 13.170 2 2H GLY 1 1H GLY 1 1.542 14.196 14.196 3 3H GLY 1 3H GLY 1 0.685 13.700 13.700 4 1HA GLY 1 1HA GLY 1 -0.045 12.517 12.517 5 2HA GLY 1 2HA GLY 1 1.661 11.955 11.955 6 H GLU 2 H GLU 2 2.248 11.608 11.608 7 HA GLU 2 HA GLU 2 1.137 8.948 8.948 8 1HB GLU 2 2HB GLU 2 3.567 9.956 9.956 9 2HB GLU 2 1HB GLU 2 2.891 10.401 10.401 10 1HG GLU 2 2HG GLU 2 2.285 7.577 7.577 11 2HG GLU 2 1HG GLU 2 4.003 7.904 7.904 12 1HN CGU 3 HN GLA 3 -0.510 11.485 11.485 13 HA CGU 3 HA GLA 3 -1.446 11.311 11.311 14 1HB CGU 3 1HB GLA 3 -2.193 13.464 13.464 15 2HB CGU 3 2HB GLA 3 -2.767 13.169 13.169 16 HG CGU 3 HG GLA 3 -0.491 13.306 13.306 17 1HN CGU 4 HN GLA 4 -2.696 11.224 11.224 18 HA CGU 4 HA GLA 4 -5.220 10.012 10.012 19 1HB CGU 4 1HB GLA 4 -4.941 11.675 11.675 20 2HB CGU 4 2HB GLA 4 -5.947 10.296 10.296 21 HG CGU 4 HG GLA 4 -3.227 9.566 9.566 22 H LEU 5 H LEU 5 -2.232 8.771 8.771 23 HA LEU 5 HA LEU 5 -2.447 6.472 6.472 24 1HB LEU 5 2HB LEU 5 -0.444 5.815 5.815 25 2HB LEU 5 1HB LEU 5 -0.438 7.539 7.539 26 HG LEU 5 HG LEU 5 0.302 6.900 6.900 27 1HD1 LEU 5 3HD1 LEU 5 -2.043 8.185 8.185 28 2HD1 LEU 5 2HD1 LEU 5 -2.451 6.737 6.737 29 3HD1 LEU 5 1HD1 LEU 5 -1.086 7.713 7.713 30 1HD2 LEU 5 1HD2 LEU 5 -0.178 4.407 4.407 31 2HD2 LEU 5 3HD2 LEU 5 -0.206 4.938 4.938 32 3HD2 LEU 5 2HD2 LEU 5 -1.711 4.667 4.667 33 H GLN 6 H GLN 6 -4.084 7.230 7.230 34 HA GLN 6 HA GLN 6 -4.453 4.711 4.711 35 1HB GLN 6 2HB GLN 6 -5.400 7.355 7.355 36 2HB GLN 6 1HB GLN 6 -6.856 6.419 6.419 37 1HG GLN 6 2HG GLN 6 -6.391 6.335 6.335 38 2HG GLN 6 1HG GLN 6 -5.947 4.753 4.753 39 1HE2 GLN 6 2HE2 GLN 6 -2.497 5.152 5.152 40 2HE2 GLN 6 1HE2 GLN 6 -3.681 4.196 4.196 41 1HN CGU 7 HN GLA 7 -6.534 6.268 6.268 42 HA CGU 7 HA GLA 7 -8.439 4.140 4.140 43 1HB CGU 7 1HB GLA 7 -9.002 6.291 6.291 44 2HB CGU 7 2HB GLA 7 -9.024 5.134 5.134 45 HG CGU 7 HG GLA 7 -6.351 6.259 6.259 46 H ASN 8 H ASN 8 -5.282 4.500 4.500 47 HA ASN 8 HA ASN 8 -5.553 2.236 2.236 48 1HB ASN 8 2HB ASN 8 -4.000 4.623 4.623 49 2HB ASN 8 1HB ASN 8 -2.840 3.338 3.338 50 1HD2 ASN 8 2HD2 ASN 8 -3.797 1.697 1.697 51 2HD2 ASN 8 1HD2 ASN 8 -3.607 1.268 1.268 52 H GLN 9 H GLN 9 -4.513 2.924 2.924 53 HA GLN 9 HA GLN 9 -2.519 0.918 0.918 54 1HB GLN 9 2HB GLN 9 -3.157 2.942 2.942 55 2HB GLN 9 1HB GLN 9 -4.444 1.934 1.934 56 1HG GLN 9 2HG GLN 9 -2.801 0.270 0.270 57 2HG GLN 9 1HG GLN 9 -1.488 1.169 1.169 58 1HE2 GLN 9 2HE2 GLN 9 -3.124 2.529 2.529 59 2HE2 GLN 9 1HE2 GLN 9 -3.922 1.330 1.330 60 1HN CGU 10 HN GLA 10 -6.008 0.896 0.896 61 HA CGU 10 HA GLA 10 -6.148 -1.773 -1.773 62 1HB CGU 10 1HB GLA 10 -8.574 -1.098 -1.098 63 2HB CGU 10 2HB GLA 10 -8.017 0.349 0.349 64 HG CGU 10 HG GLA 10 -9.490 -0.739 -0.739 65 H LEU 11 H LEU 11 -6.259 -0.381 -0.381 66 HA LEU 11 HA LEU 11 -6.951 -2.727 -2.727 67 1HB LEU 11 2HB LEU 11 -5.517 -0.147 -0.147 68 2HB LEU 11 1HB LEU 11 -5.618 -1.397 -1.397 69 HG LEU 11 HG LEU 11 -7.452 0.472 0.472 70 1HD1 LEU 11 3HD1 LEU 11 -7.518 -1.596 -1.596 71 2HD1 LEU 11 2HD1 LEU 11 -8.350 -2.439 -2.439 72 3HD1 LEU 11 1HD1 LEU 11 -9.114 -1.069 -1.069 73 1HD2 LEU 11 1HD2 LEU 11 -8.020 0.223 0.223 74 2HD2 LEU 11 3HD2 LEU 11 -9.413 0.060 0.060 75 3HD2 LEU 11 2HD2 LEU 11 -8.685 -1.366 -1.366 76 H ILE 12 H ILE 12 -3.808 -1.497 -1.497 77 HA ILE 12 HA ILE 12 -2.413 -3.716 -3.716 78 HB ILE 12 HB ILE 12 -1.392 -1.439 -1.439 79 1HG1 ILE 12 2HG1 ILE 12 0.307 -3.515 -3.515 80 2HG1 ILE 12 1HG1 ILE 12 -0.052 -3.626 -3.626 81 1HG2 ILE 12 3HG2 ILE 12 -1.308 -2.177 -2.177 82 2HG2 ILE 12 2HG2 ILE 12 -0.432 -0.832 -0.832 83 3HG2 ILE 12 1HG2 ILE 12 -2.178 -0.850 -0.850 84 1HD1 ILE 12 3HD1 ILE 12 0.920 -1.339 -1.339 85 2HD1 ILE 12 2HD1 ILE 12 1.400 -1.332 -1.332 86 3HD1 ILE 12 1HD1 ILE 12 2.082 -2.514 -2.514 87 H ARG 13 H ARG 13 -4.151 -3.383 -3.383 88 HA ARG 13 HA ARG 13 -2.642 -5.390 -5.390 89 1HB ARG 13 2HB ARG 13 -3.741 -3.301 -3.301 90 2HB ARG 13 1HB ARG 13 -5.289 -4.058 -4.058 91 1HG ARG 13 2HG ARG 13 -4.825 -4.669 -4.669 92 2HG ARG 13 1HG ARG 13 -4.333 -6.096 -6.096 93 1HD ARG 13 2HD ARG 13 -1.938 -5.013 -5.013 94 2HD ARG 13 1HD ARG 13 -2.566 -3.934 -3.934 95 HE ARG 13 HE ARG 13 -3.234 -6.496 -6.496 96 1HH1 ARG 13 2HH1 ARG 13 -0.334 -4.805 -4.805 97 2HH1 ARG 13 1HH1 ARG 13 0.660 -5.724 -5.724 98 1HH2 ARG 13 1HH2 ARG 13 -1.987 -7.666 -7.666 99 2HH2 ARG 13 2HH2 ARG 13 -0.286 -7.365 -7.365 100 1HN CGU 14 HN GLA 14 -5.615 -5.071 -5.071 101 HA CGU 14 HA GLA 14 -6.542 -7.788 -7.788 102 1HB CGU 14 1HB GLA 14 -8.510 -7.215 -7.215 103 2HB CGU 14 2HB GLA 14 -7.692 -5.794 -5.794 104 HG CGU 14 HG GLA 14 -7.519 -4.983 -4.983 105 H LYS 15 H LYS 15 -5.448 -5.986 -5.986 106 HA LYS 15 HA LYS 15 -5.340 -8.373 -8.373 107 1HB LYS 15 2HB LYS 15 -4.283 -5.573 -5.573 108 2HB LYS 15 1HB LYS 15 -4.576 -6.847 -6.847 109 1HG LYS 15 2HG LYS 15 -6.949 -6.744 -6.744 110 2HG LYS 15 1HG LYS 15 -6.852 -5.810 -5.810 111 1HD LYS 15 2HD LYS 15 -7.503 -4.309 -4.309 112 2HD LYS 15 1HD LYS 15 -5.880 -3.885 -3.885 113 1HE LYS 15 2HE LYS 15 -6.204 -5.847 -5.847 114 2HE LYS 15 1HE LYS 15 -6.490 -4.143 -4.143 115 1HZ LYS 15 2HZ LYS 15 -4.288 -3.711 -3.711 116 2HZ LYS 15 1HZ LYS 15 -4.015 -5.387 -5.387 117 3HZ LYS 15 3HZ LYS 15 -4.243 -4.559 -4.559 118 H SER 16 H SER 16 -3.402 -7.175 -7.175 119 HA SER 16 HA SER 16 -1.214 -7.494 -7.494 120 1HB SER 16 2HB SER 16 -1.927 -9.883 -9.883 121 2HB SER 16 1HB SER 16 -1.384 -9.905 -9.905 122 HG SER 16 HG SER 16 0.402 -8.875 -8.875 123 H ASN 17 H ASN 17 -0.163 -8.962 -8.962 124 HA ASN 17 HA ASN 17 0.716 -6.551 -6.551 125 1HB ASN 17 2HB ASN 17 3.214 -7.080 -7.080 126 2HB ASN 17 1HB ASN 17 2.418 -6.483 -6.483 127 1HD2 ASN 17 1HD2 ASN 17 3.750 -9.391 -9.391 128 2HD2 ASN 17 2HD2 ASN 17 3.790 -10.327 -10.327 129 1HN NH2 18 1HT ASN 17 2.335 -7.226 -7.226 130 2HN NH2 18 2HT ASN 17 2.009 -8.717 -8.717 Start of MODEL 17 1 1H GLY 1 2H GLY 1 3.686 5.824 5.824 2 2H GLY 1 1H GLY 1 4.999 4.808 4.808 3 3H GLY 1 3H GLY 1 3.517 4.600 4.600 4 1HA GLY 1 1HA GLY 1 3.806 2.921 2.921 5 2HA GLY 1 2HA GLY 1 4.000 4.221 4.221 6 H GLU 2 H GLU 2 2.113 2.330 2.330 7 HA GLU 2 HA GLU 2 -0.464 2.840 2.840 8 1HB GLU 2 2HB GLU 2 0.606 1.479 1.479 9 2HB GLU 2 1HB GLU 2 -1.119 1.749 1.749 10 1HG GLU 2 2HG GLU 2 -0.438 -0.486 -0.486 11 2HG GLU 2 1HG GLU 2 -1.252 0.520 0.520 12 1HN CGU 3 HN GLA 3 1.287 4.576 4.576 13 HA CGU 3 HA GLA 3 -0.919 5.834 5.834 14 1HB CGU 3 1HB GLA 3 0.685 7.072 7.072 15 2HB CGU 3 2HB GLA 3 1.767 7.176 7.176 16 HG CGU 3 HG GLA 3 1.284 4.452 4.452 17 1HN CGU 4 HN GLA 4 1.160 6.584 6.584 18 HA CGU 4 HA GLA 4 -0.017 9.178 9.178 19 1HB CGU 4 1HB GLA 4 1.400 8.983 8.983 20 2HB CGU 4 2HB GLA 4 1.856 7.365 7.365 21 HG CGU 4 HG GLA 4 2.367 9.826 9.826 22 H LEU 5 H LEU 5 -0.255 5.901 5.901 23 HA LEU 5 HA LEU 5 -2.218 6.387 6.387 24 1HB LEU 5 2HB LEU 5 -0.713 3.920 3.920 25 2HB LEU 5 1HB LEU 5 -1.889 3.853 3.853 26 HG LEU 5 HG LEU 5 0.442 5.808 5.808 27 1HD1 LEU 5 1HD1 LEU 5 0.437 2.901 2.901 28 2HD1 LEU 5 3HD1 LEU 5 1.700 4.075 4.075 29 3HD1 LEU 5 2HD1 LEU 5 1.409 3.546 3.546 30 1HD2 LEU 5 1HD2 LEU 5 -1.267 4.405 4.405 31 2HD2 LEU 5 3HD2 LEU 5 -1.421 6.086 6.086 32 3HD2 LEU 5 2HD2 LEU 5 0.028 5.540 5.540 33 H GLN 6 H GLN 6 -2.762 6.821 6.821 34 HA GLN 6 HA GLN 6 -4.181 4.978 4.978 35 1HB GLN 6 2HB GLN 6 -3.840 7.564 7.564 36 2HB GLN 6 1HB GLN 6 -5.367 7.737 7.737 37 1HG GLN 6 2HG GLN 6 -5.852 7.670 7.670 38 2HG GLN 6 1HG GLN 6 -6.384 6.135 6.135 39 1HE2 GLN 6 2HE2 GLN 6 -2.781 5.416 5.416 40 2HE2 GLN 6 1HE2 GLN 6 -2.930 6.257 6.257 41 1HN CGU 7 HN GLA 7 -5.472 6.540 6.540 42 HA CGU 7 HA GLA 7 -8.127 5.361 5.361 43 1HB CGU 7 1HB GLA 7 -8.621 6.390 6.390 44 2HB CGU 7 2HB GLA 7 -6.928 6.468 6.468 45 HG CGU 7 HG GLA 7 -6.495 8.114 8.114 46 H ASN 8 H ASN 8 -5.249 4.708 4.708 47 HA ASN 8 HA ASN 8 -6.355 2.251 2.251 48 1HB ASN 8 2HB ASN 8 -3.580 3.478 3.478 49 2HB ASN 8 1HB ASN 8 -4.283 2.250 2.250 50 1HD2 ASN 8 1HD2 ASN 8 -4.609 5.654 5.654 51 2HD2 ASN 8 2HD2 ASN 8 -5.440 6.163 6.163 52 H GLN 9 H GLN 9 -5.231 2.848 2.848 53 HA GLN 9 HA GLN 9 -3.221 0.786 0.786 54 1HB GLN 9 2HB GLN 9 -3.165 1.386 1.386 55 2HB GLN 9 1HB GLN 9 -3.732 2.868 2.868 56 1HG GLN 9 2HG GLN 9 -6.135 1.993 1.993 57 2HG GLN 9 1HG GLN 9 -5.355 0.798 0.798 58 1HE2 GLN 9 2HE2 GLN 9 -3.932 3.661 3.661 59 2HE2 GLN 9 1HE2 GLN 9 -3.211 2.502 2.502 60 1HN CGU 10 HN GLA 10 -6.451 0.652 0.652 61 HA CGU 10 HA GLA 10 -6.946 -1.840 -1.840 62 1HB CGU 10 1HB GLA 10 -9.269 -1.547 -1.547 63 2HB CGU 10 2HB GLA 10 -8.750 -0.182 -0.182 64 HG CGU 10 HG GLA 10 -7.791 0.196 0.196 65 H LEU 11 H LEU 11 -6.741 -0.627 -0.627 66 HA LEU 11 HA LEU 11 -7.250 -3.228 -3.228 67 1HB LEU 11 2HB LEU 11 -7.067 -2.110 -2.110 68 2HB LEU 11 1HB LEU 11 -7.654 -0.869 -0.869 69 HG LEU 11 HG LEU 11 -5.099 -0.236 -0.236 70 1HD1 LEU 11 3HD1 LEU 11 -5.025 -2.218 -2.218 71 2HD1 LEU 11 2HD1 LEU 11 -4.178 -0.720 -0.720 72 3HD1 LEU 11 1HD1 LEU 11 -3.738 -1.685 -1.685 73 1HD2 LEU 11 1HD2 LEU 11 -6.699 0.309 0.309 74 2HD2 LEU 11 3HD2 LEU 11 -6.746 1.247 1.247 75 3HD2 LEU 11 2HD2 LEU 11 -5.297 1.240 1.240 76 H ILE 12 H ILE 12 -4.509 -1.704 -1.704 77 HA ILE 12 HA ILE 12 -2.609 -3.485 -3.485 78 HB ILE 12 HB ILE 12 -2.202 -0.953 -0.953 79 1HG1 ILE 12 2HG1 ILE 12 0.264 -1.462 -1.462 80 2HG1 ILE 12 1HG1 ILE 12 -0.207 -3.146 -3.146 81 1HG2 ILE 12 1HG2 ILE 12 -2.949 -1.292 -1.292 82 2HG2 ILE 12 3HG2 ILE 12 -1.297 -1.823 -1.823 83 3HG2 ILE 12 2HG2 ILE 12 -1.614 -0.211 -0.211 84 1HD1 ILE 12 2HD1 ILE 12 -0.486 -1.144 -1.144 85 2HD1 ILE 12 1HD1 ILE 12 0.820 -2.304 -2.304 86 3HD1 ILE 12 3HD1 ILE 12 -0.822 -2.867 -2.867 87 H ARG 13 H ARG 13 -4.292 -3.049 -3.049 88 HA ARG 13 HA ARG 13 -2.738 -4.683 -4.683 89 1HB ARG 13 2HB ARG 13 -4.303 -3.285 -3.285 90 2HB ARG 13 1HB ARG 13 -5.592 -3.669 -3.669 91 1HG ARG 13 2HG ARG 13 -4.537 -5.878 -5.878 92 2HG ARG 13 1HG ARG 13 -5.489 -4.618 -4.618 93 1HD ARG 13 2HD ARG 13 -6.821 -5.537 -5.537 94 2HD ARG 13 1HD ARG 13 -6.482 -6.876 -6.876 95 HE ARG 13 HE ARG 13 -7.892 -5.929 -5.929 96 1HH1 ARG 13 2HH1 ARG 13 -7.578 -3.855 -3.855 97 2HH1 ARG 13 1HH1 ARG 13 -8.914 -2.862 -2.862 98 1HH2 ARG 13 1HH2 ARG 13 -9.584 -4.676 -4.676 99 2HH2 ARG 13 2HH2 ARG 13 -10.059 -3.327 -3.327 100 1HN CGU 14 HN GLA 14 -5.383 -5.378 -5.378 101 HA CGU 14 HA GLA 14 -5.736 -8.131 -8.131 102 1HB CGU 14 1HB GLA 14 -7.371 -6.791 -6.791 103 2HB CGU 14 2HB GLA 14 -7.048 -8.272 -8.272 104 HG CGU 14 HG GLA 14 -5.554 -5.747 -5.747 105 H LYS 15 H LYS 15 -3.372 -6.496 -6.496 106 HA LYS 15 HA LYS 15 -2.376 -8.985 -8.985 107 1HB LYS 15 2HB LYS 15 -2.357 -6.838 -6.838 108 2HB LYS 15 1HB LYS 15 -1.327 -6.101 -6.101 109 1HG LYS 15 2HG LYS 15 -0.025 -6.886 -6.886 110 2HG LYS 15 1HG LYS 15 0.468 -7.738 -7.738 111 1HD LYS 15 2HD LYS 15 0.242 -9.266 -9.266 112 2HD LYS 15 1HD LYS 15 -0.855 -9.722 -9.722 113 1HE LYS 15 2HE LYS 15 -1.904 -7.823 -7.823 114 2HE LYS 15 1HE LYS 15 -1.662 -9.498 -9.498 115 1HZ LYS 15 1HZ LYS 15 -2.997 -10.134 -10.134 116 2HZ LYS 15 3HZ LYS 15 -3.346 -8.494 -8.494 117 3HZ LYS 15 2HZ LYS 15 -3.859 -9.255 -9.255 118 H SER 16 H SER 16 -0.582 -6.370 -6.370 119 HA SER 16 HA SER 16 1.255 -6.360 -6.360 120 1HB SER 16 2HB SER 16 -0.550 -8.401 -8.401 121 2HB SER 16 1HB SER 16 0.781 -7.513 -7.513 122 HG SER 16 HG SER 16 -1.429 -6.375 -6.375 123 H ASN 17 H ASN 17 2.070 -7.553 -7.553 124 HA ASN 17 HA ASN 17 3.607 -9.027 -9.027 125 1HB ASN 17 2HB ASN 17 4.269 -9.756 -9.756 126 2HB ASN 17 1HB ASN 17 5.320 -9.930 -9.930 127 1HD2 ASN 17 2HD2 ASN 17 6.295 -6.532 -6.532 128 2HD2 ASN 17 1HD2 ASN 17 6.307 -8.009 -8.009 129 1HN NH2 18 1HT ASN 17 0.839 -10.022 -10.022 130 2HN NH2 18 2HT ASN 17 0.970 -11.715 -11.715
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