NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617921 | 5tbq | 30178 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 2.913 3.719 1.637 2 H2 GLY 1 HT2 GLY 1 1.268 4.133 1.548 3 H3 GLY 1 HT3 GLY 1 2.271 4.331 0.186 4 HA2 GLY 1 HA1 GLY 1 0.866 1.997 1.106 5 HA3 GLY 1 HA2 GLY 1 1.567 2.331 -0.478 6 H GLU 2 HN GLU 2 1.786 -0.206 0.851 7 HA GLU 2 HA GLU 2 4.123 -0.670 2.338 8 HB2 GLU 2 HB2 GLU 2 2.398 -2.383 1.757 9 HB3 GLU 2 HB1 GLU 2 3.040 -2.428 0.115 10 HG2 GLU 2 HG2 GLU 2 5.286 -3.031 1.083 11 HG3 GLU 2 HG1 GLU 2 4.511 -3.160 2.663 12 H CGU 3 HN GLA 3 3.841 -0.796 -1.230 13 HA CGU 3 HA GLA 3 6.513 -1.291 -1.888 14 HB2 CGU 3 HB1 GLA 3 4.593 0.614 -3.309 15 HB3 CGU 3 HB2 GLA 3 4.677 -1.127 -3.607 16 HG CGU 3 HG GLA 3 6.959 0.846 -4.012 17 H CGU 4 HN GLA 4 5.032 1.824 -1.025 18 HA CGU 4 HA GLA 4 7.276 3.487 -1.572 19 HB2 CGU 4 HB1 GLA 4 6.206 4.808 0.478 20 HB3 CGU 4 HB2 GLA 4 4.895 3.656 0.236 21 HG CGU 4 HG GLA 4 4.949 4.311 -2.232 22 H LEU 5 HN LEU 5 6.411 1.573 1.284 23 HA LEU 5 HA LEU 5 8.783 2.431 2.769 24 HB2 LEU 5 HB2 LEU 5 6.583 0.410 3.234 25 HB3 LEU 5 HB1 LEU 5 8.008 0.460 4.271 26 HG LEU 5 HG LEU 5 7.433 3.064 4.333 27 HD11 LEU 5 HD11 LEU 5 5.344 2.263 2.800 28 HD12 LEU 5 HD12 LEU 5 5.283 3.663 3.866 29 HD13 LEU 5 HD13 LEU 5 4.627 2.117 4.403 30 HD21 LEU 5 HD21 LEU 5 7.412 2.236 6.450 31 HD22 LEU 5 HD22 LEU 5 6.625 0.737 5.955 32 HD23 LEU 5 HD23 LEU 5 5.663 2.186 6.240 33 H ALA 6 HN ALA 6 7.680 -0.466 1.015 34 HA ALA 6 HA ALA 6 9.871 -2.172 1.517 35 HB1 ALA 6 HB1 ALA 6 7.917 -2.950 0.287 36 HB2 ALA 6 HB2 ALA 6 9.348 -3.182 -0.717 37 HB3 ALA 6 HB3 ALA 6 8.260 -1.831 -1.031 38 H CGU 7 HN GLA 7 9.505 0.209 -1.141 39 HA CGU 7 HA GLA 7 12.044 -0.133 -2.338 40 HB2 CGU 7 HB1 GLA 7 11.762 2.289 -3.017 41 HB3 CGU 7 HB2 GLA 7 10.328 2.354 -1.995 42 HG CGU 7 HG GLA 7 9.574 0.230 -3.392 43 H LYS 8 HN LYS 8 11.077 2.205 0.194 44 HA LYS 8 HA LYS 8 13.689 3.225 0.711 45 HB2 LYS 8 HB2 LYS 8 11.261 2.975 2.512 46 HB3 LYS 8 HB1 LYS 8 12.713 3.884 2.937 47 HG2 LYS 8 HG2 LYS 8 12.372 5.479 1.248 48 HG3 LYS 8 HG1 LYS 8 11.305 4.416 0.328 49 HD2 LYS 8 HD2 LYS 8 9.699 4.561 2.333 50 HD3 LYS 8 HD1 LYS 8 10.697 5.902 2.892 51 HE2 LYS 8 HE2 LYS 8 8.756 6.687 1.551 52 HE3 LYS 8 HE1 LYS 8 10.295 7.112 0.797 53 HZ1 LYS 8 HZ1 LYS 8 9.096 4.531 0.083 54 HZ2 LYS 8 HZ2 LYS 8 10.004 5.616 -0.872 55 HZ3 LYS 8 HZ3 LYS 8 8.356 5.939 -0.554 56 H ALA 9 HN ALA 9 11.851 0.599 2.298 57 HA ALA 9 HA ALA 9 13.871 -0.139 4.170 58 HB1 ALA 9 HB1 ALA 9 12.111 -2.215 2.899 59 HB2 ALA 9 HB2 ALA 9 11.375 -0.941 3.871 60 HB3 ALA 9 HB3 ALA 9 12.564 -2.024 4.593 61 H CGU 10 HN GLA 10 13.386 -1.132 0.771 62 HA CGU 10 HA GLA 10 15.560 -3.047 0.904 63 HB2 CGU 10 HB1 GLA 10 13.922 -1.904 -1.373 64 HB3 CGU 10 HB2 GLA 10 13.880 -3.537 -0.710 65 HG CGU 10 HG GLA 10 16.377 -2.379 -1.886 66 H PHE 11 HN PHE 11 15.205 0.272 -0.428 67 HA PHE 11 HA PHE 11 17.927 0.465 -1.360 68 HB2 PHE 11 HB2 PHE 11 16.803 2.226 -2.253 69 HB3 PHE 11 HB1 PHE 11 15.630 2.258 -0.951 70 HD1 PHE 11 HD1 PHE 11 18.273 4.011 -2.467 71 HD2 PHE 11 HD2 PHE 11 16.633 3.104 1.394 72 HE1 PHE 11 HE1 PHE 11 19.317 6.060 -1.531 73 HE2 PHE 11 HE2 PHE 11 17.695 5.134 2.333 74 HZ PHE 11 HZ PHE 11 19.036 6.616 0.867 75 H ALA 12 HN ALA 12 16.343 1.050 1.740 76 HA ALA 12 HA ALA 12 18.528 2.265 3.098 77 HB1 ALA 12 HB1 ALA 12 16.347 0.417 4.117 78 HB2 ALA 12 HB2 ALA 12 16.325 2.180 4.123 79 HB3 ALA 12 HB3 ALA 12 17.452 1.309 5.164 80 H ARG 13 HN ARG 13 17.888 -1.088 2.223 81 HA ARG 13 HA ARG 13 20.009 -2.144 3.942 82 HB2 ARG 13 HB2 ARG 13 18.280 -3.291 1.752 83 HB3 ARG 13 HB1 ARG 13 19.616 -4.218 2.436 84 HG2 ARG 13 HG2 ARG 13 18.646 -4.268 4.584 85 HG3 ARG 13 HG1 ARG 13 17.571 -2.914 4.229 86 HD2 ARG 13 HD2 ARG 13 17.295 -5.358 2.537 87 HD3 ARG 13 HD1 ARG 13 16.703 -5.449 4.197 88 HE ARG 13 HE ARG 13 15.744 -3.018 2.974 89 HH11 ARG 13 HH11 ARG 13 15.236 -5.069 0.822 90 HH12 ARG 13 HH12 ARG 13 13.654 -5.637 1.264 91 HH21 ARG 13 HH21 ARG 13 13.795 -4.334 4.450 92 HH22 ARG 13 HH22 ARG 13 12.841 -5.217 3.311 93 H CGU 14 HN GLA 14 19.697 -2.139 0.361 94 HA CGU 14 HA GLA 14 22.389 -2.769 -0.180 95 HB2 CGU 14 HB1 GLA 14 21.911 -1.651 -2.421 96 HB3 CGU 14 HB2 GLA 14 20.334 -1.217 -1.773 97 HG CGU 14 HG GLA 14 21.186 -4.067 -1.493 98 H LEU 15 HN LEU 15 20.931 0.452 0.334 99 HA LEU 15 HA LEU 15 23.507 1.727 -0.253 100 HB2 LEU 15 HB2 LEU 15 20.776 2.750 0.547 101 HB3 LEU 15 HB1 LEU 15 22.177 3.821 0.480 102 HG LEU 15 HG LEU 15 22.513 2.733 -1.910 103 HD11 LEU 15 HD11 LEU 15 20.804 1.067 -1.842 104 HD12 LEU 15 HD12 LEU 15 20.221 2.327 -2.927 105 HD13 LEU 15 HD13 LEU 15 19.604 2.227 -1.280 106 HD21 LEU 15 HD21 LEU 15 21.022 5.017 -0.906 107 HD22 LEU 15 HD22 LEU 15 20.393 4.465 -2.459 108 HD23 LEU 15 HD23 LEU 15 22.091 4.909 -2.302 109 H ALA 16 HN ALA 16 22.063 0.340 2.526 110 HA ALA 16 HA ALA 16 23.284 2.099 4.494 111 HB1 ALA 16 HB1 ALA 16 22.015 -0.622 4.579 112 HB2 ALA 16 HB2 ALA 16 21.546 0.854 5.423 113 HB3 ALA 16 HB3 ALA 16 22.952 -0.061 5.964 114 H ASN 17 HN ASN 17 24.301 -0.908 2.878 115 HA ASN 17 HA ASN 17 26.636 -1.296 4.528 116 HB2 ASN 17 HB2 ASN 17 27.203 -3.038 3.077 117 HB3 ASN 17 HB1 ASN 17 25.456 -2.943 2.866 118 HD21 ASN 17 HD21 ASN 17 28.430 -1.456 1.446 119 HD22 ASN 17 HD22 ASN 17 27.840 -1.483 -0.156 120 H TYR 18 HN TYR 18 25.974 1.135 2.292 121 HA TYR 18 HA TYR 18 28.667 1.423 1.200 122 HB2 TYR 18 HB2 TYR 18 26.157 3.106 1.189 123 HB3 TYR 18 HB1 TYR 18 27.679 3.768 0.607 124 HD1 TYR 18 HD1 TYR 18 25.862 0.478 0.272 125 HD2 TYR 18 HD2 TYR 18 27.910 3.695 -1.711 126 HE1 TYR 18 HE1 TYR 18 25.533 -0.653 -1.907 127 HE2 TYR 18 HE2 TYR 18 27.577 2.557 -3.887 128 HH TYR 18 HH TYR 18 27.205 -0.086 -4.536 129 HN1 NH2 19 H1 NH2 19 28.621 1.280 4.127 130 HN2 NH2 19 H2 NH2 19 29.225 2.776 4.703 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 1.953 3.943 -0.328 2 H2 GLY 1 HT2 GLY 1 2.414 3.502 1.251 3 H3 GLY 1 HT3 GLY 1 0.773 3.758 0.884 4 HA2 GLY 1 HA1 GLY 1 0.663 1.539 0.656 5 HA3 GLY 1 HA2 GLY 1 1.428 1.847 -0.904 6 H GLU 2 HN GLU 2 1.883 -0.580 0.459 7 HA GLU 2 HA GLU 2 4.157 -0.630 2.164 8 HB2 GLU 2 HB2 GLU 2 2.803 -2.615 1.864 9 HB3 GLU 2 HB1 GLU 2 3.164 -2.660 0.139 10 HG2 GLU 2 HG2 GLU 2 4.518 -4.274 1.571 11 HG3 GLU 2 HG1 GLU 2 5.472 -3.203 0.549 12 H CGU 3 HN GLA 3 4.047 -1.038 -1.398 13 HA CGU 3 HA GLA 3 6.765 -1.334 -1.943 14 HB2 CGU 3 HB1 GLA 3 4.799 0.420 -3.494 15 HB3 CGU 3 HB2 GLA 3 4.986 -1.321 -3.738 16 HG CGU 3 HG GLA 3 7.183 0.753 -4.089 17 H CGU 4 HN GLA 4 5.058 1.672 -1.132 18 HA CGU 4 HA GLA 4 7.217 3.474 -1.642 19 HB2 CGU 4 HB1 GLA 4 5.978 4.755 0.336 20 HB3 CGU 4 HB2 GLA 4 4.753 3.517 0.066 21 HG CGU 4 HG GLA 4 4.882 4.133 -2.417 22 H LEU 5 HN LEU 5 6.377 1.463 1.137 23 HA LEU 5 HA LEU 5 8.616 2.473 2.749 24 HB2 LEU 5 HB2 LEU 5 6.545 0.290 3.121 25 HB3 LEU 5 HB1 LEU 5 7.877 0.527 4.251 26 HG LEU 5 HG LEU 5 7.058 3.039 4.223 27 HD11 LEU 5 HD11 LEU 5 4.466 2.927 4.131 28 HD12 LEU 5 HD12 LEU 5 4.712 1.468 3.171 29 HD13 LEU 5 HD13 LEU 5 5.347 3.013 2.606 30 HD21 LEU 5 HD21 LEU 5 5.752 0.725 5.670 31 HD22 LEU 5 HD22 LEU 5 5.417 2.410 6.076 32 HD23 LEU 5 HD23 LEU 5 7.051 1.768 6.250 33 H ALA 6 HN ALA 6 7.690 -0.544 1.077 34 HA ALA 6 HA ALA 6 9.943 -2.117 1.623 35 HB1 ALA 6 HB1 ALA 6 7.781 -2.366 -0.034 36 HB2 ALA 6 HB2 ALA 6 9.147 -3.480 -0.023 37 HB3 ALA 6 HB3 ALA 6 9.082 -2.174 -1.209 38 H CGU 7 HN GLA 7 9.572 0.305 -0.990 39 HA CGU 7 HA GLA 7 12.182 0.057 -2.103 40 HB2 CGU 7 HB1 GLA 7 11.786 2.461 -2.821 41 HB3 CGU 7 HB2 GLA 7 10.291 2.429 -1.888 42 HG CGU 7 HG GLA 7 9.777 0.250 -3.312 43 H LYS 8 HN LYS 8 10.951 2.320 0.380 44 HA LYS 8 HA LYS 8 13.483 3.531 0.968 45 HB2 LYS 8 HB2 LYS 8 10.971 3.225 2.633 46 HB3 LYS 8 HB1 LYS 8 12.350 4.220 3.105 47 HG2 LYS 8 HG2 LYS 8 12.060 5.701 1.281 48 HG3 LYS 8 HG1 LYS 8 11.015 4.570 0.421 49 HD2 LYS 8 HD2 LYS 8 9.380 4.815 2.377 50 HD3 LYS 8 HD1 LYS 8 10.364 6.183 2.898 51 HE2 LYS 8 HE2 LYS 8 8.441 6.897 1.485 52 HE3 LYS 8 HE1 LYS 8 9.995 7.308 0.755 53 HZ1 LYS 8 HZ1 LYS 8 8.067 6.025 -0.565 54 HZ2 LYS 8 HZ2 LYS 8 8.902 4.678 0.099 55 HZ3 LYS 8 HZ3 LYS 8 9.727 5.798 -0.890 56 H ALA 9 HN ALA 9 11.761 0.769 2.406 57 HA ALA 9 HA ALA 9 13.714 0.286 4.475 58 HB1 ALA 9 HB1 ALA 9 12.068 -1.930 3.292 59 HB2 ALA 9 HB2 ALA 9 11.252 -0.618 4.144 60 HB3 ALA 9 HB3 ALA 9 12.449 -1.603 4.984 61 H CGU 10 HN GLA 10 13.416 -0.835 1.114 62 HA CGU 10 HA GLA 10 15.621 -2.714 1.435 63 HB2 CGU 10 HB1 GLA 10 13.994 -1.782 -0.937 64 HB3 CGU 10 HB2 GLA 10 13.885 -3.329 -0.096 65 HG CGU 10 HG GLA 10 16.363 -2.349 -1.499 66 H PHE 11 HN PHE 11 15.171 0.542 0.024 67 HA PHE 11 HA PHE 11 17.714 0.776 -1.236 68 HB2 PHE 11 HB2 PHE 11 16.665 2.692 -1.766 69 HB3 PHE 11 HB1 PHE 11 15.579 2.549 -0.401 70 HD1 PHE 11 HD1 PHE 11 18.233 4.419 -1.816 71 HD2 PHE 11 HD2 PHE 11 16.634 3.135 1.953 72 HE1 PHE 11 HE1 PHE 11 19.337 6.335 -0.684 73 HE2 PHE 11 HE2 PHE 11 17.757 5.031 3.086 74 HZ PHE 11 HZ PHE 11 19.108 6.635 1.765 75 H ALA 12 HN ALA 12 16.714 1.278 2.112 76 HA ALA 12 HA ALA 12 19.242 2.145 3.122 77 HB1 ALA 12 HB1 ALA 12 18.381 1.435 5.308 78 HB2 ALA 12 HB2 ALA 12 17.122 0.477 4.525 79 HB3 ALA 12 HB3 ALA 12 17.096 2.237 4.405 80 H ARG 13 HN ARG 13 17.808 -1.089 2.695 81 HA ARG 13 HA ARG 13 19.996 -2.558 3.819 82 HB2 ARG 13 HB2 ARG 13 17.744 -3.193 1.939 83 HB3 ARG 13 HB1 ARG 13 19.043 -4.366 2.142 84 HG2 ARG 13 HG2 ARG 13 18.497 -4.804 4.341 85 HG3 ARG 13 HG1 ARG 13 17.884 -3.175 4.622 86 HD2 ARG 13 HD2 ARG 13 16.092 -4.951 4.589 87 HD3 ARG 13 HD1 ARG 13 15.845 -3.653 3.421 88 HE ARG 13 HE ARG 13 16.126 -5.233 1.679 89 HH11 ARG 13 HH11 ARG 13 18.783 -6.245 2.372 90 HH12 ARG 13 HH12 ARG 13 18.476 -7.894 2.784 91 HH21 ARG 13 HH21 ARG 13 15.095 -7.409 3.214 92 HH22 ARG 13 HH22 ARG 13 16.388 -8.554 3.266 93 H CGU 14 HN GLA 14 19.304 -1.611 0.429 94 HA CGU 14 HA GLA 14 21.770 -2.804 -0.534 95 HB2 CGU 14 HB1 GLA 14 21.198 -1.763 -2.660 96 HB3 CGU 14 HB2 GLA 14 19.984 -0.750 -1.898 97 HG CGU 14 HG GLA 14 19.001 -3.076 -1.076 98 H LEU 15 HN LEU 15 20.755 0.581 0.183 99 HA LEU 15 HA LEU 15 23.327 1.630 -0.598 100 HB2 LEU 15 HB2 LEU 15 20.862 2.711 0.750 101 HB3 LEU 15 HB1 LEU 15 22.342 3.670 0.769 102 HG LEU 15 HG LEU 15 22.412 3.151 -1.797 103 HD11 LEU 15 HD11 LEU 15 20.656 1.511 -1.905 104 HD12 LEU 15 HD12 LEU 15 20.087 2.961 -2.729 105 HD13 LEU 15 HD13 LEU 15 19.528 2.597 -1.099 106 HD21 LEU 15 HD21 LEU 15 20.345 4.984 -1.849 107 HD22 LEU 15 HD22 LEU 15 22.048 5.368 -1.615 108 HD23 LEU 15 HD23 LEU 15 20.996 5.158 -0.219 109 H ALA 16 HN ALA 16 21.932 0.611 2.522 110 HA ALA 16 HA ALA 16 24.228 1.574 4.042 111 HB1 ALA 16 HB1 ALA 16 21.953 1.060 5.034 112 HB2 ALA 16 HB2 ALA 16 23.304 0.324 5.894 113 HB3 ALA 16 HB3 ALA 16 22.313 -0.651 4.809 114 H ASN 17 HN ASN 17 23.454 -1.273 2.195 115 HA ASN 17 HA ASN 17 25.709 -2.838 3.266 116 HB2 ASN 17 HB2 ASN 17 23.624 -3.968 2.509 117 HB3 ASN 17 HB1 ASN 17 23.911 -3.384 0.873 118 HD21 ASN 17 HD21 ASN 17 26.989 -3.913 1.654 119 HD22 ASN 17 HD22 ASN 17 27.123 -5.582 1.323 120 H TYR 18 HN TYR 18 24.983 -0.894 0.373 121 HA TYR 18 HA TYR 18 27.416 -1.591 -1.026 122 HB2 TYR 18 HB2 TYR 18 25.576 0.810 -1.257 123 HB3 TYR 18 HB1 TYR 18 26.888 0.457 -2.370 124 HD1 TYR 18 HD1 TYR 18 24.388 0.702 -3.641 125 HD2 TYR 18 HD2 TYR 18 25.904 -2.713 -1.513 126 HE1 TYR 18 HE1 TYR 18 22.873 -0.780 -4.925 127 HE2 TYR 18 HE2 TYR 18 24.388 -4.183 -2.803 128 HH TYR 18 HH TYR 18 22.085 -3.812 -4.012 129 HN1 NH2 19 H1 NH2 19 26.544 1.271 1.017 130 HN2 NH2 19 H2 NH2 19 28.171 1.734 1.289 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 1.595 4.411 2.128 2 H2 GLY 1 HT2 GLY 1 2.791 4.713 0.951 3 H3 GLY 1 HT3 GLY 1 3.128 3.696 2.276 4 HA2 GLY 1 HA1 GLY 1 0.894 2.599 1.076 5 HA3 GLY 1 HA2 GLY 1 1.993 3.029 -0.235 6 H GLU 2 HN GLU 2 1.659 0.395 0.079 7 HA GLU 2 HA GLU 2 3.571 -0.766 1.966 8 HB2 GLU 2 HB2 GLU 2 3.017 -2.781 0.196 9 HB3 GLU 2 HB1 GLU 2 2.033 -2.409 1.608 10 HG2 GLU 2 HG2 GLU 2 0.614 -2.588 -0.389 11 HG3 GLU 2 HG1 GLU 2 0.602 -0.933 0.208 12 H CGU 3 HN GLA 3 3.475 -0.023 -1.498 13 HA CGU 3 HA GLA 3 5.964 -1.338 -2.145 14 HB2 CGU 3 HB1 GLA 3 4.639 1.066 -3.481 15 HB3 CGU 3 HB2 GLA 3 4.289 -0.617 -3.894 16 HG CGU 3 HG GLA 3 7.000 0.749 -4.099 17 H CGU 4 HN GLA 4 5.206 1.896 -0.916 18 HA CGU 4 HA GLA 4 7.679 3.169 -1.373 19 HB2 CGU 4 HB1 GLA 4 7.069 4.390 0.839 20 HB3 CGU 4 HB2 GLA 4 5.587 3.439 0.771 21 HG CGU 4 HG GLA 4 6.125 4.565 -1.833 22 H LEU 5 HN LEU 5 6.679 1.559 1.683 23 HA LEU 5 HA LEU 5 9.207 1.667 2.924 24 HB2 LEU 5 HB2 LEU 5 8.388 0.012 4.437 25 HB3 LEU 5 HB1 LEU 5 7.044 1.071 4.034 26 HG LEU 5 HG LEU 5 6.590 -0.711 2.162 27 HD11 LEU 5 HD11 LEU 5 7.463 -2.794 3.978 28 HD12 LEU 5 HD12 LEU 5 8.833 -1.836 3.423 29 HD13 LEU 5 HD13 LEU 5 7.776 -2.625 2.252 30 HD21 LEU 5 HD21 LEU 5 5.004 -0.302 3.927 31 HD22 LEU 5 HD22 LEU 5 6.041 -1.092 5.114 32 HD23 LEU 5 HD23 LEU 5 5.257 -2.046 3.855 33 H ALA 6 HN ALA 6 7.829 -0.922 0.935 34 HA ALA 6 HA ALA 6 9.928 -2.775 1.036 35 HB1 ALA 6 HB1 ALA 6 8.313 -3.656 -0.316 36 HB2 ALA 6 HB2 ALA 6 9.223 -2.888 -1.616 37 HB3 ALA 6 HB3 ALA 6 7.823 -2.074 -0.919 38 H CGU 7 HN GLA 7 9.630 0.109 -1.028 39 HA CGU 7 HA GLA 7 12.223 -0.258 -2.282 40 HB2 CGU 7 HB1 GLA 7 11.819 2.011 -3.161 41 HB3 CGU 7 HB2 GLA 7 10.437 2.193 -2.082 42 HG CGU 7 HG GLA 7 9.588 -0.030 -3.238 43 H LYS 8 HN LYS 8 10.954 2.123 0.077 44 HA LYS 8 HA LYS 8 13.429 3.386 0.658 45 HB2 LYS 8 HB2 LYS 8 10.886 3.047 2.251 46 HB3 LYS 8 HB1 LYS 8 12.247 4.001 2.845 47 HG2 LYS 8 HG2 LYS 8 12.098 5.546 1.049 48 HG3 LYS 8 HG1 LYS 8 11.071 4.469 0.101 49 HD2 LYS 8 HD2 LYS 8 9.237 4.757 1.691 50 HD3 LYS 8 HD1 LYS 8 10.258 5.752 2.729 51 HE2 LYS 8 HE2 LYS 8 10.516 7.379 0.846 52 HE3 LYS 8 HE1 LYS 8 9.385 6.412 -0.103 53 HZ1 LYS 8 HZ1 LYS 8 7.614 7.011 1.189 54 HZ2 LYS 8 HZ2 LYS 8 8.567 8.420 1.352 55 HZ3 LYS 8 HZ3 LYS 8 8.565 7.251 2.584 56 H ALA 9 HN ALA 9 11.878 0.574 2.238 57 HA ALA 9 HA ALA 9 13.955 0.317 4.249 58 HB1 ALA 9 HB1 ALA 9 11.672 -0.651 4.504 59 HB2 ALA 9 HB2 ALA 9 12.936 -1.862 4.717 60 HB3 ALA 9 HB3 ALA 9 12.032 -1.787 3.204 61 H CGU 10 HN GLA 10 13.378 -1.231 1.083 62 HA CGU 10 HA GLA 10 15.634 -2.980 1.273 63 HB2 CGU 10 HB1 GLA 10 13.968 -1.968 -1.044 64 HB3 CGU 10 HB2 GLA 10 13.936 -3.566 -0.299 65 HG CGU 10 HG GLA 10 16.416 -2.464 -1.552 66 H PHE 11 HN PHE 11 15.188 0.288 -0.115 67 HA PHE 11 HA PHE 11 17.865 0.526 -1.178 68 HB2 PHE 11 HB2 PHE 11 16.653 2.235 -2.060 69 HB3 PHE 11 HB1 PHE 11 15.538 2.263 -0.708 70 HD1 PHE 11 HD1 PHE 11 16.639 3.171 1.579 71 HD2 PHE 11 HD2 PHE 11 18.031 4.077 -2.378 72 HE1 PHE 11 HE1 PHE 11 17.672 5.253 2.429 73 HE2 PHE 11 HE2 PHE 11 19.061 6.169 -1.527 74 HZ PHE 11 HZ PHE 11 18.887 6.754 0.875 75 H ALA 12 HN ALA 12 16.405 1.089 1.969 76 HA ALA 12 HA ALA 12 18.593 2.438 3.201 77 HB1 ALA 12 HB1 ALA 12 17.604 1.476 5.338 78 HB2 ALA 12 HB2 ALA 12 16.445 0.620 4.322 79 HB3 ALA 12 HB3 ALA 12 16.472 2.382 4.333 80 H ARG 13 HN ARG 13 18.093 -0.941 2.391 81 HA ARG 13 HA ARG 13 20.292 -1.842 4.128 82 HB2 ARG 13 HB2 ARG 13 18.595 -3.203 2.022 83 HB3 ARG 13 HB1 ARG 13 19.920 -4.023 2.849 84 HG2 ARG 13 HG2 ARG 13 18.851 -3.931 4.934 85 HG3 ARG 13 HG1 ARG 13 17.811 -2.592 4.450 86 HD2 ARG 13 HD2 ARG 13 16.672 -4.870 4.608 87 HD3 ARG 13 HD1 ARG 13 16.458 -4.011 3.080 88 HE ARG 13 HE ARG 13 18.726 -5.609 2.708 89 HH11 ARG 13 HH11 ARG 13 17.664 -7.676 4.355 90 HH12 ARG 13 HH12 ARG 13 16.565 -8.529 3.329 91 HH21 ARG 13 HH21 ARG 13 16.352 -5.953 1.026 92 HH22 ARG 13 HH22 ARG 13 15.821 -7.555 1.442 93 H CGU 14 HN GLA 14 19.820 -2.065 0.579 94 HA CGU 14 HA GLA 14 22.479 -2.619 -0.080 95 HB2 CGU 14 HB1 GLA 14 21.823 -1.565 -2.331 96 HB3 CGU 14 HB2 GLA 14 20.252 -1.262 -1.595 97 HG CGU 14 HG GLA 14 21.426 -3.995 -1.315 98 H LEU 15 HN LEU 15 20.954 0.637 0.160 99 HA LEU 15 HA LEU 15 23.454 1.931 -0.548 100 HB2 LEU 15 HB2 LEU 15 20.770 2.890 0.466 101 HB3 LEU 15 HB1 LEU 15 22.136 4.001 0.353 102 HG LEU 15 HG LEU 15 22.368 3.011 -2.086 103 HD11 LEU 15 HD11 LEU 15 19.526 2.350 -1.301 104 HD12 LEU 15 HD12 LEU 15 20.739 1.268 -1.983 105 HD13 LEU 15 HD13 LEU 15 20.033 2.541 -2.978 106 HD21 LEU 15 HD21 LEU 15 21.837 5.180 -2.360 107 HD22 LEU 15 HD22 LEU 15 20.825 5.183 -0.917 108 HD23 LEU 15 HD23 LEU 15 20.157 4.660 -2.464 109 H ALA 16 HN ALA 16 22.024 0.836 2.467 110 HA ALA 16 HA ALA 16 23.865 2.435 4.104 111 HB1 ALA 16 HB1 ALA 16 23.043 1.020 5.977 112 HB2 ALA 16 HB2 ALA 16 22.136 0.046 4.821 113 HB3 ALA 16 HB3 ALA 16 21.718 1.743 5.065 114 H ASN 17 HN ASN 17 23.644 -0.943 2.969 115 HA ASN 17 HA ASN 17 26.180 -1.651 4.263 116 HB2 ASN 17 HB2 ASN 17 25.733 -3.817 3.601 117 HB3 ASN 17 HB1 ASN 17 24.099 -3.167 3.512 118 HD21 ASN 17 HD21 ASN 17 27.015 -3.386 1.384 119 HD22 ASN 17 HD22 ASN 17 26.122 -3.744 -0.026 120 H TYR 18 HN TYR 18 25.278 -0.039 1.416 121 HA TYR 18 HA TYR 18 27.453 -0.857 -0.303 122 HB2 TYR 18 HB2 TYR 18 25.476 0.178 -1.263 123 HB3 TYR 18 HB1 TYR 18 25.720 1.634 -0.295 124 HD1 TYR 18 HD1 TYR 18 27.615 -0.550 -2.695 125 HD2 TYR 18 HD2 TYR 18 26.802 3.436 -1.319 126 HE1 TYR 18 HE1 TYR 18 29.093 0.362 -4.466 127 HE2 TYR 18 HE2 TYR 18 28.280 4.345 -3.093 128 HH TYR 18 HH TYR 18 29.118 2.880 -5.705 129 HN1 NH2 19 H1 NH2 19 27.044 2.015 1.862 130 HN2 NH2 19 H2 NH2 19 28.710 2.403 1.888 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 1.541 3.200 -0.249 2 H2 GLY 1 HT2 GLY 1 3.132 3.192 -0.865 3 H3 GLY 1 HT3 GLY 1 2.463 4.628 -0.237 4 HA2 GLY 1 HA1 GLY 1 3.741 3.993 1.529 5 HA3 GLY 1 HA2 GLY 1 2.207 3.224 1.930 6 H GLU 2 HN GLU 2 1.994 0.940 0.795 7 HA GLU 2 HA GLU 2 3.841 -0.826 1.939 8 HB2 GLU 2 HB2 GLU 2 1.579 -1.426 1.048 9 HB3 GLU 2 HB1 GLU 2 2.247 -1.356 -0.583 10 HG2 GLU 2 HG2 GLU 2 3.910 -3.094 0.038 11 HG3 GLU 2 HG1 GLU 2 3.192 -3.189 1.646 12 H CGU 3 HN GLA 3 3.746 0.006 -1.569 13 HA CGU 3 HA GLA 3 6.251 -1.335 -2.092 14 HB2 CGU 3 HB1 GLA 3 4.861 0.897 -3.654 15 HB3 CGU 3 HB2 GLA 3 4.615 -0.831 -3.941 16 HG CGU 3 HG GLA 3 7.238 0.682 -4.211 17 H CGU 4 HN GLA 4 5.368 1.983 -1.305 18 HA CGU 4 HA GLA 4 7.877 3.241 -1.706 19 HB2 CGU 4 HB1 GLA 4 6.988 4.855 0.064 20 HB3 CGU 4 HB2 GLA 4 5.605 3.771 0.217 21 HG CGU 4 HG GLA 4 6.464 5.151 -2.381 22 H LEU 5 HN LEU 5 6.490 2.006 1.378 23 HA LEU 5 HA LEU 5 8.883 2.354 2.878 24 HB2 LEU 5 HB2 LEU 5 7.866 0.963 4.533 25 HB3 LEU 5 HB1 LEU 5 6.598 1.953 3.829 26 HG LEU 5 HG LEU 5 6.278 -0.092 2.231 27 HD11 LEU 5 HD11 LEU 5 8.387 -1.018 3.840 28 HD12 LEU 5 HD12 LEU 5 7.429 -1.968 2.705 29 HD13 LEU 5 HD13 LEU 5 6.960 -1.884 4.400 30 HD21 LEU 5 HD21 LEU 5 4.528 0.531 3.723 31 HD22 LEU 5 HD22 LEU 5 5.467 0.054 5.137 32 HD23 LEU 5 HD23 LEU 5 4.828 -1.176 4.047 33 H ALA 6 HN ALA 6 7.658 -0.480 1.136 34 HA ALA 6 HA ALA 6 9.753 -2.287 1.725 35 HB1 ALA 6 HB1 ALA 6 8.080 -3.321 0.499 36 HB2 ALA 6 HB2 ALA 6 9.235 -3.022 -0.797 37 HB3 ALA 6 HB3 ALA 6 7.864 -1.938 -0.571 38 H CGU 7 HN GLA 7 9.522 0.029 -1.009 39 HA CGU 7 HA GLA 7 12.126 -0.449 -2.063 40 HB2 CGU 7 HB1 GLA 7 11.900 1.902 -2.957 41 HB3 CGU 7 HB2 GLA 7 10.414 2.068 -2.026 42 HG CGU 7 HG GLA 7 9.693 -0.147 -3.277 43 H LYS 8 HN LYS 8 10.971 2.016 0.253 44 HA LYS 8 HA LYS 8 13.452 3.230 0.867 45 HB2 LYS 8 HB2 LYS 8 11.137 3.946 1.629 46 HB3 LYS 8 HB1 LYS 8 11.244 2.693 2.863 47 HG2 LYS 8 HG2 LYS 8 12.072 4.514 4.047 48 HG3 LYS 8 HG1 LYS 8 13.571 3.852 3.393 49 HD2 LYS 8 HD2 LYS 8 12.258 5.705 1.532 50 HD3 LYS 8 HD1 LYS 8 12.658 6.468 3.066 51 HE2 LYS 8 HE2 LYS 8 14.737 6.729 2.194 52 HE3 LYS 8 HE1 LYS 8 14.946 5.009 2.525 53 HZ1 LYS 8 HZ1 LYS 8 14.869 6.297 0.031 54 HZ2 LYS 8 HZ2 LYS 8 13.524 5.267 0.126 55 HZ3 LYS 8 HZ3 LYS 8 15.092 4.645 0.350 56 H ALA 9 HN ALA 9 11.831 0.478 2.436 57 HA ALA 9 HA ALA 9 13.836 -0.092 4.368 58 HB1 ALA 9 HB1 ALA 9 11.423 -1.082 3.989 59 HB2 ALA 9 HB2 ALA 9 12.662 -2.071 4.758 60 HB3 ALA 9 HB3 ALA 9 12.284 -2.301 3.051 61 H CGU 10 HN GLA 10 13.421 -1.496 1.079 62 HA CGU 10 HA GLA 10 15.793 -3.091 1.288 63 HB2 CGU 10 HB1 GLA 10 14.074 -2.195 -1.033 64 HB3 CGU 10 HB2 GLA 10 14.161 -3.794 -0.294 65 HG CGU 10 HG GLA 10 16.432 -2.442 -1.747 66 H PHE 11 HN PHE 11 15.156 0.165 -0.020 67 HA PHE 11 HA PHE 11 17.786 0.557 -1.131 68 HB2 PHE 11 HB2 PHE 11 16.543 2.259 -1.923 69 HB3 PHE 11 HB1 PHE 11 15.414 2.163 -0.592 70 HD1 PHE 11 HD1 PHE 11 16.478 3.026 1.763 71 HD2 PHE 11 HD2 PHE 11 17.788 4.194 -2.155 72 HE1 PHE 11 HE1 PHE 11 17.369 5.136 2.700 73 HE2 PHE 11 HE2 PHE 11 18.672 6.315 -1.214 74 HZ PHE 11 HZ PHE 11 18.468 6.782 1.209 75 H ALA 12 HN ALA 12 16.382 1.080 2.071 76 HA ALA 12 HA ALA 12 18.663 2.311 3.273 77 HB1 ALA 12 HB1 ALA 12 16.206 1.782 4.193 78 HB2 ALA 12 HB2 ALA 12 17.568 1.973 5.293 79 HB3 ALA 12 HB3 ALA 12 17.018 0.361 4.844 80 H ARG 13 HN ARG 13 17.972 -0.926 2.252 81 HA ARG 13 HA ARG 13 20.162 -2.123 3.808 82 HB2 ARG 13 HB2 ARG 13 17.883 -3.178 2.853 83 HB3 ARG 13 HB1 ARG 13 18.919 -3.523 1.471 84 HG2 ARG 13 HG2 ARG 13 19.919 -4.190 4.223 85 HG3 ARG 13 HG1 ARG 13 18.722 -5.246 3.478 86 HD2 ARG 13 HD2 ARG 13 20.739 -6.204 2.764 87 HD3 ARG 13 HD1 ARG 13 20.306 -5.179 1.398 88 HE ARG 13 HE ARG 13 22.415 -4.174 1.792 89 HH11 ARG 13 HH11 ARG 13 22.245 -5.942 4.493 90 HH12 ARG 13 HH12 ARG 13 22.781 -4.724 5.596 91 HH21 ARG 13 HH21 ARG 13 22.449 -2.175 3.276 92 HH22 ARG 13 HH22 ARG 13 22.907 -2.577 4.907 93 H CGU 14 HN GLA 14 19.482 -1.921 0.287 94 HA CGU 14 HA GLA 14 22.083 -2.535 -0.598 95 HB2 CGU 14 HB1 GLA 14 21.446 -1.570 -2.721 96 HB3 CGU 14 HB2 GLA 14 20.161 -0.629 -1.980 97 HG CGU 14 HG GLA 14 19.340 -3.049 -1.172 98 H LEU 15 HN LEU 15 20.717 0.663 0.268 99 HA LEU 15 HA LEU 15 23.198 1.997 -0.470 100 HB2 LEU 15 HB2 LEU 15 20.571 2.848 0.739 101 HB3 LEU 15 HB1 LEU 15 21.945 3.950 0.767 102 HG LEU 15 HG LEU 15 22.134 3.314 -1.785 103 HD11 LEU 15 HD11 LEU 15 20.509 1.609 -1.972 104 HD12 LEU 15 HD12 LEU 15 19.749 3.032 -2.681 105 HD13 LEU 15 HD13 LEU 15 19.324 2.527 -1.047 106 HD21 LEU 15 HD21 LEU 15 21.691 5.535 -1.567 107 HD22 LEU 15 HD22 LEU 15 20.463 5.266 -0.334 108 HD23 LEU 15 HD23 LEU 15 20.063 5.054 -2.039 109 H ALA 16 HN ALA 16 21.972 0.450 2.390 110 HA ALA 16 HA ALA 16 23.796 1.853 4.207 111 HB1 ALA 16 HB1 ALA 16 23.225 -0.152 5.730 112 HB2 ALA 16 HB2 ALA 16 22.085 -0.625 4.472 113 HB3 ALA 16 HB3 ALA 16 21.899 0.923 5.292 114 H ASN 17 HN ASN 17 23.815 -1.109 2.274 115 HA ASN 17 HA ASN 17 26.506 -1.812 3.320 116 HB2 ASN 17 HB2 ASN 17 26.289 -3.856 1.964 117 HB3 ASN 17 HB1 ASN 17 24.877 -3.650 2.997 118 HD21 ASN 17 HD21 ASN 17 25.918 -2.618 -0.309 119 HD22 ASN 17 HD22 ASN 17 24.403 -2.927 -1.027 120 H TYR 18 HN TYR 18 25.386 0.331 1.159 121 HA TYR 18 HA TYR 18 27.030 -0.226 -1.164 122 HB2 TYR 18 HB2 TYR 18 24.963 1.214 -1.157 123 HB3 TYR 18 HB1 TYR 18 25.878 2.439 -0.282 124 HD1 TYR 18 HD1 TYR 18 27.691 3.690 -1.373 125 HD2 TYR 18 HD2 TYR 18 25.472 0.674 -3.497 126 HE1 TYR 18 HE1 TYR 18 28.622 4.509 -3.522 127 HE2 TYR 18 HE2 TYR 18 26.408 1.501 -5.640 128 HH TYR 18 HH TYR 18 28.909 3.031 -6.078 129 HN1 NH2 19 H1 NH2 19 27.439 2.101 1.588 130 HN2 NH2 19 H2 NH2 19 29.113 2.323 1.326 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 1.210 4.330 -0.435 2 H2 GLY 1 HT2 GLY 1 1.511 2.653 -0.559 3 H3 GLY 1 HT3 GLY 1 2.608 3.781 -1.223 4 HA2 GLY 1 HA1 GLY 1 3.380 4.485 0.859 5 HA3 GLY 1 HA2 GLY 1 2.002 3.749 1.676 6 H GLU 2 HN GLU 2 1.828 1.273 1.072 7 HA GLU 2 HA GLU 2 3.833 -0.195 2.296 8 HB2 GLU 2 HB2 GLU 2 2.939 -1.886 0.228 9 HB3 GLU 2 HB1 GLU 2 2.277 -1.770 1.856 10 HG2 GLU 2 HG2 GLU 2 0.573 -1.468 0.011 11 HG3 GLU 2 HG1 GLU 2 0.640 -0.135 1.156 12 H CGU 3 HN GLA 3 3.527 0.118 -1.272 13 HA CGU 3 HA GLA 3 5.981 -1.147 -1.911 14 HB2 CGU 3 HB1 GLA 3 4.605 1.157 -3.373 15 HB3 CGU 3 HB2 GLA 3 4.270 -0.555 -3.656 16 HG CGU 3 HG GLA 3 6.935 0.854 -4.076 17 H CGU 4 HN GLA 4 5.363 2.267 -1.077 18 HA CGU 4 HA GLA 4 8.005 3.203 -1.617 19 HB2 CGU 4 HB1 GLA 4 7.163 4.677 0.592 20 HB3 CGU 4 HB2 GLA 4 5.652 4.188 -0.175 21 HG CGU 4 HG GLA 4 6.265 5.209 -2.249 22 H LEU 5 HN LEU 5 6.534 2.110 1.462 23 HA LEU 5 HA LEU 5 8.883 2.189 3.038 24 HB2 LEU 5 HB2 LEU 5 6.356 0.560 3.111 25 HB3 LEU 5 HB1 LEU 5 7.685 0.126 4.185 26 HG LEU 5 HG LEU 5 7.697 2.704 4.740 27 HD11 LEU 5 HD11 LEU 5 5.018 2.229 3.457 28 HD12 LEU 5 HD12 LEU 5 6.108 3.603 3.272 29 HD13 LEU 5 HD13 LEU 5 5.180 3.407 4.758 30 HD21 LEU 5 HD21 LEU 5 5.467 0.920 5.761 31 HD22 LEU 5 HD22 LEU 5 6.212 2.270 6.615 32 HD23 LEU 5 HD23 LEU 5 7.145 0.809 6.291 33 H ALA 6 HN ALA 6 7.547 -0.480 1.079 34 HA ALA 6 HA ALA 6 9.579 -2.396 1.540 35 HB1 ALA 6 HB1 ALA 6 8.846 -3.438 -0.522 36 HB2 ALA 6 HB2 ALA 6 8.148 -1.922 -1.093 37 HB3 ALA 6 HB3 ALA 6 7.425 -2.766 0.276 38 H CGU 7 HN GLA 7 9.388 0.060 -1.067 39 HA CGU 7 HA GLA 7 11.911 -0.515 -2.251 40 HB2 CGU 7 HB1 GLA 7 11.775 1.866 -3.058 41 HB3 CGU 7 HB2 GLA 7 10.354 2.086 -2.038 42 HG CGU 7 HG GLA 7 9.426 -0.033 -3.301 43 H LYS 8 HN LYS 8 11.042 1.946 0.193 44 HA LYS 8 HA LYS 8 13.667 2.908 0.689 45 HB2 LYS 8 HB2 LYS 8 11.304 2.669 2.567 46 HB3 LYS 8 HB1 LYS 8 12.755 3.618 2.891 47 HG2 LYS 8 HG2 LYS 8 12.190 4.647 0.494 48 HG3 LYS 8 HG1 LYS 8 10.559 4.130 0.919 49 HD2 LYS 8 HD2 LYS 8 10.768 5.374 3.078 50 HD3 LYS 8 HD1 LYS 8 12.344 5.962 2.549 51 HE2 LYS 8 HE2 LYS 8 10.612 7.642 2.078 52 HE3 LYS 8 HE1 LYS 8 11.279 7.007 0.570 53 HZ1 LYS 8 HZ1 LYS 8 8.916 5.737 1.780 54 HZ2 LYS 8 HZ2 LYS 8 9.402 5.758 0.144 55 HZ3 LYS 8 HZ3 LYS 8 8.720 7.152 0.857 56 H ALA 9 HN ALA 9 11.832 0.265 2.205 57 HA ALA 9 HA ALA 9 13.741 -0.490 4.155 58 HB1 ALA 9 HB1 ALA 9 11.296 -1.359 3.615 59 HB2 ALA 9 HB2 ALA 9 12.451 -2.391 4.454 60 HB3 ALA 9 HB3 ALA 9 12.171 -2.604 2.725 61 H CGU 10 HN GLA 10 13.492 -1.590 0.728 62 HA CGU 10 HA GLA 10 15.828 -3.290 1.083 63 HB2 CGU 10 HB1 GLA 10 14.160 -2.523 -1.320 64 HB3 CGU 10 HB2 GLA 10 14.340 -4.109 -0.565 65 HG CGU 10 HG GLA 10 16.676 -2.642 -1.758 66 H PHE 11 HN PHE 11 15.197 -0.132 -0.495 67 HA PHE 11 HA PHE 11 17.860 0.260 -1.483 68 HB2 PHE 11 HB2 PHE 11 16.517 1.868 -2.365 69 HB3 PHE 11 HB1 PHE 11 15.471 1.908 -0.966 70 HD1 PHE 11 HD1 PHE 11 16.753 2.939 1.256 71 HD2 PHE 11 HD2 PHE 11 17.723 3.771 -2.849 72 HE1 PHE 11 HE1 PHE 11 17.713 5.115 1.925 73 HE2 PHE 11 HE2 PHE 11 18.678 5.954 -2.172 74 HZ PHE 11 HZ PHE 11 18.678 6.624 0.214 75 H ALA 12 HN ALA 12 16.379 0.863 1.678 76 HA ALA 12 HA ALA 12 18.547 2.222 2.888 77 HB1 ALA 12 HB1 ALA 12 17.686 1.240 5.030 78 HB2 ALA 12 HB2 ALA 12 16.616 0.206 4.082 79 HB3 ALA 12 HB3 ALA 12 16.411 1.956 4.043 80 H ARG 13 HN ARG 13 17.980 -1.283 2.437 81 HA ARG 13 HA ARG 13 20.284 -2.164 3.897 82 HB2 ARG 13 HB2 ARG 13 18.650 -3.354 1.665 83 HB3 ARG 13 HB1 ARG 13 20.099 -4.174 2.248 84 HG2 ARG 13 HG2 ARG 13 19.174 -4.125 4.553 85 HG3 ARG 13 HG1 ARG 13 17.706 -3.367 3.930 86 HD2 ARG 13 HD2 ARG 13 18.743 -5.999 2.861 87 HD3 ARG 13 HD1 ARG 13 17.621 -5.910 4.221 88 HE ARG 13 HE ARG 13 16.999 -5.111 1.408 89 HH11 ARG 13 HH11 ARG 13 15.409 -7.222 2.502 90 HH12 ARG 13 HH12 ARG 13 14.024 -6.420 3.156 91 HH21 ARG 13 HH21 ARG 13 15.532 -3.311 3.204 92 HH22 ARG 13 HH22 ARG 13 14.098 -4.220 3.563 93 H CGU 14 HN GLA 14 19.968 -2.037 0.318 94 HA CGU 14 HA GLA 14 22.739 -2.315 -0.187 95 HB2 CGU 14 HB1 GLA 14 22.150 -1.270 -2.422 96 HB3 CGU 14 HB2 GLA 14 20.523 -1.024 -1.804 97 HG CGU 14 HG GLA 14 21.749 -3.742 -1.533 98 H LEU 15 HN LEU 15 20.773 0.602 0.356 99 HA LEU 15 HA LEU 15 22.915 2.450 -0.202 100 HB2 LEU 15 HB2 LEU 15 20.345 2.665 1.370 101 HB3 LEU 15 HB1 LEU 15 21.438 4.026 1.144 102 HG LEU 15 HG LEU 15 19.419 3.437 -0.531 103 HD11 LEU 15 HD11 LEU 15 22.074 4.651 -1.243 104 HD12 LEU 15 HD12 LEU 15 20.675 5.487 -0.571 105 HD13 LEU 15 HD13 LEU 15 20.607 4.826 -2.204 106 HD21 LEU 15 HD21 LEU 15 20.359 2.514 -2.627 107 HD22 LEU 15 HD22 LEU 15 20.346 1.322 -1.334 108 HD23 LEU 15 HD23 LEU 15 21.848 2.131 -1.771 109 H ALA 16 HN ALA 16 21.632 1.041 2.832 110 HA ALA 16 HA ALA 16 23.619 2.283 4.523 111 HB1 ALA 16 HB1 ALA 16 22.102 -0.318 4.945 112 HB2 ALA 16 HB2 ALA 16 21.506 1.279 5.395 113 HB3 ALA 16 HB3 ALA 16 22.930 0.611 6.193 114 H ASN 17 HN ASN 17 23.450 -0.745 2.694 115 HA ASN 17 HA ASN 17 25.970 -1.790 3.698 116 HB2 ASN 17 HB2 ASN 17 24.367 -3.336 2.741 117 HB3 ASN 17 HB1 ASN 17 24.315 -2.438 1.231 118 HD21 ASN 17 HD21 ASN 17 27.540 -2.405 2.179 119 HD22 ASN 17 HD22 ASN 17 28.060 -3.795 1.339 120 H TYR 18 HN TYR 18 24.997 0.183 0.891 121 HA TYR 18 HA TYR 18 27.689 0.279 -0.223 122 HB2 TYR 18 HB2 TYR 18 25.212 1.961 -0.697 123 HB3 TYR 18 HB1 TYR 18 26.709 2.159 -1.592 124 HD1 TYR 18 HD1 TYR 18 27.079 -1.117 -1.272 125 HD2 TYR 18 HD2 TYR 18 24.167 1.556 -2.966 126 HE1 TYR 18 HE1 TYR 18 26.361 -2.888 -2.846 127 HE2 TYR 18 HE2 TYR 18 23.455 -0.225 -4.536 128 HH TYR 18 HH TYR 18 23.510 -2.797 -4.532 129 HN1 NH2 19 H1 NH2 19 25.681 2.686 1.622 130 HN2 NH2 19 H2 NH2 19 27.038 3.599 2.137 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 1.112 4.677 1.109 2 H2 GLY 1 HT2 GLY 1 2.327 4.719 -0.086 3 H3 GLY 1 HT3 GLY 1 2.694 4.193 1.493 4 HA2 GLY 1 HA1 GLY 1 0.659 2.535 0.754 5 HA3 GLY 1 HA2 GLY 1 1.630 2.705 -0.710 6 H GLU 2 HN GLU 2 1.811 0.257 0.165 7 HA GLU 2 HA GLU 2 3.836 -0.099 2.255 8 HB2 GLU 2 HB2 GLU 2 3.696 -2.524 1.004 9 HB3 GLU 2 HB1 GLU 2 2.607 -2.019 2.291 10 HG2 GLU 2 HG2 GLU 2 1.354 -2.910 0.352 11 HG3 GLU 2 HG1 GLU 2 0.984 -1.209 0.616 12 H CGU 3 HN GLA 3 3.704 -0.367 -1.292 13 HA CGU 3 HA GLA 3 6.345 -1.293 -1.754 14 HB2 CGU 3 HB1 GLA 3 4.637 0.658 -3.374 15 HB3 CGU 3 HB2 GLA 3 4.656 -1.095 -3.593 16 HG CGU 3 HG GLA 3 7.037 0.760 -3.981 17 H CGU 4 HN GLA 4 5.129 1.905 -0.964 18 HA CGU 4 HA GLA 4 7.477 3.417 -1.540 19 HB2 CGU 4 HB1 GLA 4 6.473 4.813 0.501 20 HB3 CGU 4 HB2 GLA 4 5.093 3.743 0.243 21 HG CGU 4 HG GLA 4 5.226 4.386 -2.228 22 H LEU 5 HN LEU 5 6.488 1.554 1.321 23 HA LEU 5 HA LEU 5 8.896 2.283 2.815 24 HB2 LEU 5 HB2 LEU 5 6.637 0.318 3.262 25 HB3 LEU 5 HB1 LEU 5 8.048 0.370 4.318 26 HG LEU 5 HG LEU 5 7.520 2.964 4.378 27 HD11 LEU 5 HD11 LEU 5 5.713 3.227 2.930 28 HD12 LEU 5 HD12 LEU 5 4.894 3.060 4.483 29 HD13 LEU 5 HD13 LEU 5 4.992 1.683 3.386 30 HD21 LEU 5 HD21 LEU 5 6.565 0.657 5.938 31 HD22 LEU 5 HD22 LEU 5 5.600 2.117 6.164 32 HD23 LEU 5 HD23 LEU 5 7.333 2.146 6.487 33 H ALA 6 HN ALA 6 7.657 -0.598 1.117 34 HA ALA 6 HA ALA 6 9.771 -2.387 1.578 35 HB1 ALA 6 HB1 ALA 6 7.638 -2.819 0.257 36 HB2 ALA 6 HB2 ALA 6 9.100 -3.512 -0.442 37 HB3 ALA 6 HB3 ALA 6 8.419 -2.029 -1.113 38 H CGU 7 HN GLA 7 9.526 0.053 -1.029 39 HA CGU 7 HA GLA 7 12.058 -0.411 -2.216 40 HB2 CGU 7 HB1 GLA 7 11.874 2.022 -2.902 41 HB3 CGU 7 HB2 GLA 7 10.424 2.135 -1.903 42 HG CGU 7 HG GLA 7 9.609 0.045 -3.293 43 H LYS 8 HN LYS 8 11.133 1.926 0.326 44 HA LYS 8 HA LYS 8 13.756 2.893 0.882 45 HB2 LYS 8 HB2 LYS 8 11.295 2.646 2.630 46 HB3 LYS 8 HB1 LYS 8 12.765 3.481 3.135 47 HG2 LYS 8 HG2 LYS 8 12.528 5.163 1.515 48 HG3 LYS 8 HG1 LYS 8 11.459 4.179 0.514 49 HD2 LYS 8 HD2 LYS 8 9.796 4.289 2.483 50 HD3 LYS 8 HD1 LYS 8 10.815 5.582 3.114 51 HE2 LYS 8 HE2 LYS 8 8.927 6.455 1.742 52 HE3 LYS 8 HE1 LYS 8 10.501 6.878 1.063 53 HZ1 LYS 8 HZ1 LYS 8 9.258 4.358 0.204 54 HZ2 LYS 8 HZ2 LYS 8 10.256 5.433 -0.666 55 HZ3 LYS 8 HZ3 LYS 8 8.607 5.815 -0.420 56 H ALA 9 HN ALA 9 11.889 0.213 2.315 57 HA ALA 9 HA ALA 9 13.796 -0.592 4.257 58 HB1 ALA 9 HB1 ALA 9 11.378 -1.632 3.141 59 HB2 ALA 9 HB2 ALA 9 12.174 -2.104 4.641 60 HB3 ALA 9 HB3 ALA 9 12.576 -2.926 3.134 61 H CGU 10 HN GLA 10 13.514 -1.581 0.815 62 HA CGU 10 HA GLA 10 15.856 -3.283 1.016 63 HB2 CGU 10 HB1 GLA 10 14.154 -2.323 -1.296 64 HB3 CGU 10 HB2 GLA 10 14.311 -3.956 -0.648 65 HG CGU 10 HG GLA 10 16.722 -2.547 -1.694 66 H PHE 11 HN PHE 11 15.250 -0.019 -0.399 67 HA PHE 11 HA PHE 11 17.910 0.377 -1.369 68 HB2 PHE 11 HB2 PHE 11 16.773 2.133 -2.180 69 HB3 PHE 11 HB1 PHE 11 15.522 1.974 -0.964 70 HD1 PHE 11 HD1 PHE 11 18.024 4.084 -2.210 71 HD2 PHE 11 HD2 PHE 11 16.331 2.740 1.495 72 HE1 PHE 11 HE1 PHE 11 18.785 6.170 -1.095 73 HE2 PHE 11 HE2 PHE 11 17.109 4.807 2.615 74 HZ PHE 11 HZ PHE 11 18.336 6.526 1.315 75 H ALA 12 HN ALA 12 16.488 0.758 1.825 76 HA ALA 12 HA ALA 12 18.668 2.120 3.059 77 HB1 ALA 12 HB1 ALA 12 17.824 1.003 5.165 78 HB2 ALA 12 HB2 ALA 12 16.696 0.091 4.160 79 HB3 ALA 12 HB3 ALA 12 16.573 1.848 4.252 80 H ARG 13 HN ARG 13 18.050 -1.363 2.540 81 HA ARG 13 HA ARG 13 20.368 -2.322 3.907 82 HB2 ARG 13 HB2 ARG 13 18.986 -3.508 1.482 83 HB3 ARG 13 HB1 ARG 13 20.070 -4.370 2.573 84 HG2 ARG 13 HG2 ARG 13 18.527 -4.070 4.425 85 HG3 ARG 13 HG1 ARG 13 17.490 -3.037 3.443 86 HD2 ARG 13 HD2 ARG 13 16.446 -5.173 3.383 87 HD3 ARG 13 HD1 ARG 13 17.285 -5.030 1.836 88 HE ARG 13 HE ARG 13 18.574 -6.891 2.494 89 HH11 ARG 13 HH11 ARG 13 16.718 -7.758 4.552 90 HH12 ARG 13 HH12 ARG 13 17.665 -7.720 5.996 91 HH21 ARG 13 HH21 ARG 13 20.109 -5.713 4.621 92 HH22 ARG 13 HH22 ARG 13 19.592 -6.565 6.036 93 H CGU 14 HN GLA 14 19.975 -2.055 0.347 94 HA CGU 14 HA GLA 14 22.708 -2.432 -0.244 95 HB2 CGU 14 HB1 GLA 14 22.094 -1.279 -2.436 96 HB3 CGU 14 HB2 GLA 14 20.484 -1.055 -1.764 97 HG CGU 14 HG GLA 14 21.663 -3.787 -1.578 98 H LEU 15 HN LEU 15 20.943 0.683 0.219 99 HA LEU 15 HA LEU 15 23.375 2.181 -0.284 100 HB2 LEU 15 HB2 LEU 15 20.598 2.881 0.663 101 HB3 LEU 15 HB1 LEU 15 21.887 4.085 0.722 102 HG LEU 15 HG LEU 15 22.327 3.328 -1.765 103 HD11 LEU 15 HD11 LEU 15 20.829 1.453 -1.860 104 HD12 LEU 15 HD12 LEU 15 20.139 2.727 -2.864 105 HD13 LEU 15 HD13 LEU 15 19.490 2.426 -1.255 106 HD21 LEU 15 HD21 LEU 15 20.010 4.832 -2.147 107 HD22 LEU 15 HD22 LEU 15 21.639 5.462 -1.918 108 HD23 LEU 15 HD23 LEU 15 20.566 5.282 -0.533 109 H ALA 16 HN ALA 16 21.675 1.180 2.720 110 HA ALA 16 HA ALA 16 23.463 2.629 4.459 111 HB1 ALA 16 HB1 ALA 16 22.656 1.168 6.238 112 HB2 ALA 16 HB2 ALA 16 22.029 0.017 5.056 113 HB3 ALA 16 HB3 ALA 16 21.293 1.614 5.210 114 H ASN 17 HN ASN 17 23.676 -0.437 2.770 115 HA ASN 17 HA ASN 17 26.201 -1.140 4.167 116 HB2 ASN 17 HB2 ASN 17 24.445 -2.886 3.536 117 HB3 ASN 17 HB1 ASN 17 24.916 -2.622 1.857 118 HD21 ASN 17 HD21 ASN 17 27.817 -2.167 2.656 119 HD22 ASN 17 HD22 ASN 17 28.403 -3.729 3.028 120 H TYR 18 HN TYR 18 25.070 0.173 1.105 121 HA TYR 18 HA TYR 18 27.505 -0.167 -0.384 122 HB2 TYR 18 HB2 TYR 18 25.445 0.447 -1.529 123 HB3 TYR 18 HB1 TYR 18 25.321 1.931 -0.580 124 HD1 TYR 18 HD1 TYR 18 27.752 0.150 -2.828 125 HD2 TYR 18 HD2 TYR 18 26.162 3.905 -1.486 126 HE1 TYR 18 HE1 TYR 18 29.159 1.341 -4.492 127 HE2 TYR 18 HE2 TYR 18 27.565 5.091 -3.151 128 HH TYR 18 HH TYR 18 30.055 4.183 -4.422 129 HN1 NH2 19 H1 NH2 19 26.332 2.575 1.641 130 HN2 NH2 19 H2 NH2 19 27.869 3.313 1.794 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 3.444 5.308 -0.153 2 H2 GLY 1 HT2 GLY 1 2.065 4.394 -0.556 3 H3 GLY 1 HT3 GLY 1 3.619 3.720 -0.742 4 HA2 GLY 1 HA1 GLY 1 3.410 4.550 1.912 5 HA3 GLY 1 HA2 GLY 1 1.930 3.675 1.523 6 H GLU 2 HN GLU 2 2.041 1.447 1.213 7 HA GLU 2 HA GLU 2 4.042 -0.065 2.446 8 HB2 GLU 2 HB2 GLU 2 1.768 -0.877 1.796 9 HB3 GLU 2 HB1 GLU 2 2.320 -0.980 0.125 10 HG2 GLU 2 HG2 GLU 2 4.106 -2.560 0.830 11 HG3 GLU 2 HG1 GLU 2 3.495 -2.488 2.483 12 H CGU 3 HN GLA 3 3.677 0.236 -1.124 13 HA CGU 3 HA GLA 3 6.071 -1.123 -1.785 14 HB2 CGU 3 HB1 GLA 3 4.758 1.213 -3.254 15 HB3 CGU 3 HB2 GLA 3 4.364 -0.489 -3.522 16 HG CGU 3 HG GLA 3 7.056 0.846 -3.987 17 H CGU 4 HN GLA 4 5.555 2.368 -1.304 18 HA CGU 4 HA GLA 4 8.159 3.303 -1.747 19 HB2 CGU 4 HB1 GLA 4 7.513 5.056 0.017 20 HB3 CGU 4 HB2 GLA 4 6.015 4.143 0.213 21 HG CGU 4 HG GLA 4 6.996 5.388 -2.412 22 H LEU 5 HN LEU 5 6.731 2.105 1.303 23 HA LEU 5 HA LEU 5 9.162 2.267 2.823 24 HB2 LEU 5 HB2 LEU 5 6.531 0.874 3.114 25 HB3 LEU 5 HB1 LEU 5 7.878 0.291 4.094 26 HG LEU 5 HG LEU 5 8.024 3.094 4.276 27 HD11 LEU 5 HD11 LEU 5 5.172 2.096 4.483 28 HD12 LEU 5 HD12 LEU 5 5.779 3.404 3.470 29 HD13 LEU 5 HD13 LEU 5 5.729 3.597 5.222 30 HD21 LEU 5 HD21 LEU 5 7.502 2.682 6.625 31 HD22 LEU 5 HD22 LEU 5 8.526 1.382 6.018 32 HD23 LEU 5 HD23 LEU 5 6.795 1.121 6.218 33 H ALA 6 HN ALA 6 7.621 -0.436 1.055 34 HA ALA 6 HA ALA 6 9.579 -2.418 1.555 35 HB1 ALA 6 HB1 ALA 6 7.704 -1.861 -0.726 36 HB2 ALA 6 HB2 ALA 6 7.733 -3.233 0.379 37 HB3 ALA 6 HB3 ALA 6 8.924 -3.118 -0.916 38 H CGU 7 HN GLA 7 9.457 0.004 -1.078 39 HA CGU 7 HA GLA 7 11.985 -0.642 -2.243 40 HB2 CGU 7 HB1 GLA 7 11.884 1.727 -3.089 41 HB3 CGU 7 HB2 GLA 7 10.463 1.988 -2.078 42 HG CGU 7 HG GLA 7 9.506 -0.133 -3.312 43 H LYS 8 HN LYS 8 11.051 1.807 0.177 44 HA LYS 8 HA LYS 8 13.593 2.875 0.784 45 HB2 LYS 8 HB2 LYS 8 10.968 2.852 1.957 46 HB3 LYS 8 HB1 LYS 8 12.163 2.589 3.222 47 HG2 LYS 8 HG2 LYS 8 12.224 4.883 3.198 48 HG3 LYS 8 HG1 LYS 8 13.390 4.591 1.911 49 HD2 LYS 8 HD2 LYS 8 10.436 4.850 1.318 50 HD3 LYS 8 HD1 LYS 8 11.469 6.274 1.436 51 HE2 LYS 8 HE2 LYS 8 11.883 3.932 -0.450 52 HE3 LYS 8 HE1 LYS 8 11.296 5.535 -0.901 53 HZ1 LYS 8 HZ1 LYS 8 13.356 6.351 -0.896 54 HZ2 LYS 8 HZ2 LYS 8 13.912 4.748 -0.820 55 HZ3 LYS 8 HZ3 LYS 8 13.723 5.656 0.605 56 H ALA 9 HN ALA 9 11.909 0.093 2.199 57 HA ALA 9 HA ALA 9 13.851 -0.696 4.084 58 HB1 ALA 9 HB1 ALA 9 12.333 -2.318 4.446 59 HB2 ALA 9 HB2 ALA 9 12.632 -3.012 2.854 60 HB3 ALA 9 HB3 ALA 9 11.436 -1.733 3.048 61 H CGU 10 HN GLA 10 13.525 -1.890 0.689 62 HA CGU 10 HA GLA 10 15.951 -3.425 0.895 63 HB2 CGU 10 HB1 GLA 10 14.274 -2.536 -1.470 64 HB3 CGU 10 HB2 GLA 10 14.414 -4.153 -0.776 65 HG CGU 10 HG GLA 10 16.822 -2.716 -1.816 66 H PHE 11 HN PHE 11 15.214 -0.190 -0.481 67 HA PHE 11 HA PHE 11 17.867 0.313 -1.464 68 HB2 PHE 11 HB2 PHE 11 16.434 1.875 -2.309 69 HB3 PHE 11 HB1 PHE 11 15.430 1.884 -0.878 70 HD1 PHE 11 HD1 PHE 11 16.669 2.959 1.302 71 HD2 PHE 11 HD2 PHE 11 17.681 3.762 -2.799 72 HE1 PHE 11 HE1 PHE 11 17.615 5.144 1.964 73 HE2 PHE 11 HE2 PHE 11 18.624 5.953 -2.130 74 HZ PHE 11 HZ PHE 11 18.595 6.642 0.251 75 H ALA 12 HN ALA 12 16.325 0.895 1.694 76 HA ALA 12 HA ALA 12 18.526 2.206 2.917 77 HB1 ALA 12 HB1 ALA 12 16.308 1.990 3.992 78 HB2 ALA 12 HB2 ALA 12 17.583 1.387 5.052 79 HB3 ALA 12 HB3 ALA 12 16.563 0.254 4.167 80 H ARG 13 HN ARG 13 17.858 -1.265 2.428 81 HA ARG 13 HA ARG 13 20.055 -2.256 3.976 82 HB2 ARG 13 HB2 ARG 13 18.193 -3.667 3.103 83 HB3 ARG 13 HB1 ARG 13 18.842 -3.470 1.475 84 HG2 ARG 13 HG2 ARG 13 20.941 -4.531 2.144 85 HG3 ARG 13 HG1 ARG 13 20.375 -4.654 3.809 86 HD2 ARG 13 HD2 ARG 13 19.993 -6.802 2.843 87 HD3 ARG 13 HD1 ARG 13 18.414 -6.016 2.903 88 HE ARG 13 HE ARG 13 19.437 -5.363 0.376 89 HH11 ARG 13 HH11 ARG 13 20.620 -8.176 0.962 90 HH12 ARG 13 HH12 ARG 13 19.472 -9.160 0.126 91 HH21 ARG 13 HH21 ARG 13 17.157 -6.605 -0.171 92 HH22 ARG 13 HH22 ARG 13 17.507 -8.273 -0.516 93 H CGU 14 HN GLA 14 19.901 -2.020 0.391 94 HA CGU 14 HA GLA 14 22.700 -2.319 0.023 95 HB2 CGU 14 HB1 GLA 14 22.176 -1.196 -2.224 96 HB3 CGU 14 HB2 GLA 14 20.509 -1.093 -1.665 97 HG CGU 14 HG GLA 14 21.928 -3.711 -1.419 98 H LEU 15 HN LEU 15 20.678 0.578 0.487 99 HA LEU 15 HA LEU 15 22.807 2.459 0.018 100 HB2 LEU 15 HB2 LEU 15 20.182 2.626 1.497 101 HB3 LEU 15 HB1 LEU 15 21.275 3.997 1.359 102 HG LEU 15 HG LEU 15 19.336 3.451 -0.422 103 HD11 LEU 15 HD11 LEU 15 20.546 4.926 -1.972 104 HD12 LEU 15 HD12 LEU 15 22.013 4.680 -1.026 105 HD13 LEU 15 HD13 LEU 15 20.628 5.500 -0.308 106 HD21 LEU 15 HD21 LEU 15 20.363 1.354 -1.219 107 HD22 LEU 15 HD22 LEU 15 21.828 2.239 -1.636 108 HD23 LEU 15 HD23 LEU 15 20.325 2.571 -2.488 109 H ALA 16 HN ALA 16 21.527 0.920 2.982 110 HA ALA 16 HA ALA 16 23.196 2.257 4.852 111 HB1 ALA 16 HB1 ALA 16 22.956 0.158 6.227 112 HB2 ALA 16 HB2 ALA 16 22.172 -0.602 4.842 113 HB3 ALA 16 HB3 ALA 16 21.423 0.788 5.628 114 H ASN 17 HN ASN 17 23.832 -0.603 2.817 115 HA ASN 17 HA ASN 17 26.600 -0.759 3.846 116 HB2 ASN 17 HB2 ASN 17 25.304 -2.839 3.163 117 HB3 ASN 17 HB1 ASN 17 25.445 -2.291 1.492 118 HD21 ASN 17 HD21 ASN 17 28.225 -1.114 2.135 119 HD22 ASN 17 HD22 ASN 17 29.242 -2.484 2.175 120 H TYR 18 HN TYR 18 24.886 0.341 0.936 121 HA TYR 18 HA TYR 18 27.270 0.920 -0.585 122 HB2 TYR 18 HB2 TYR 18 25.036 0.740 -1.637 123 HB3 TYR 18 HB1 TYR 18 24.513 2.179 -0.764 124 HD1 TYR 18 HD1 TYR 18 25.745 4.374 -1.162 125 HD2 TYR 18 HD2 TYR 18 26.267 0.925 -3.667 126 HE1 TYR 18 HE1 TYR 18 26.732 5.805 -2.931 127 HE2 TYR 18 HE2 TYR 18 27.249 2.362 -5.434 128 HH TYR 18 HH TYR 18 28.549 4.778 -5.303 129 HN1 NH2 19 H1 NH2 19 25.267 2.950 1.640 130 HN2 NH2 19 H2 NH2 19 26.435 4.199 1.756 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 1.272 3.480 0.013 2 H2 GLY 1 HT2 GLY 1 2.769 3.353 -0.796 3 H3 GLY 1 HT3 GLY 1 2.158 4.881 -0.363 4 HA2 GLY 1 HA1 GLY 1 3.636 4.615 1.326 5 HA3 GLY 1 HA2 GLY 1 2.217 3.850 2.042 6 H GLU 2 HN GLU 2 2.013 1.419 1.297 7 HA GLU 2 HA GLU 2 4.030 -0.109 2.445 8 HB2 GLU 2 HB2 GLU 2 1.749 -0.910 1.773 9 HB3 GLU 2 HB1 GLU 2 2.316 -0.993 0.106 10 HG2 GLU 2 HG2 GLU 2 4.113 -2.566 0.828 11 HG3 GLU 2 HG1 GLU 2 3.449 -2.533 2.463 12 H CGU 3 HN GLA 3 3.642 0.314 -1.110 13 HA CGU 3 HA GLA 3 6.048 -1.006 -1.821 14 HB2 CGU 3 HB1 GLA 3 4.717 1.347 -3.246 15 HB3 CGU 3 HB2 GLA 3 4.309 -0.350 -3.526 16 HG CGU 3 HG GLA 3 7.030 0.935 -3.970 17 H CGU 4 HN GLA 4 5.503 2.457 -1.101 18 HA CGU 4 HA GLA 4 8.149 3.340 -1.611 19 HB2 CGU 4 HB1 GLA 4 7.604 5.201 -0.071 20 HB3 CGU 4 HB2 GLA 4 6.178 4.321 0.480 21 HG CGU 4 HG GLA 4 6.439 4.673 -2.474 22 H LEU 5 HN LEU 5 6.668 2.166 1.436 23 HA LEU 5 HA LEU 5 9.070 2.267 2.988 24 HB2 LEU 5 HB2 LEU 5 6.471 0.763 3.175 25 HB3 LEU 5 HB1 LEU 5 7.809 0.295 4.225 26 HG LEU 5 HG LEU 5 7.945 2.912 4.663 27 HD11 LEU 5 HD11 LEU 5 6.219 3.597 3.115 28 HD12 LEU 5 HD12 LEU 5 5.609 3.840 4.752 29 HD13 LEU 5 HD13 LEU 5 5.077 2.447 3.811 30 HD21 LEU 5 HD21 LEU 5 7.580 1.392 6.470 31 HD22 LEU 5 HD22 LEU 5 5.988 0.941 5.862 32 HD23 LEU 5 HD23 LEU 5 6.249 2.545 6.546 33 H ALA 6 HN ALA 6 7.585 -0.334 1.053 34 HA ALA 6 HA ALA 6 9.509 -2.366 1.536 35 HB1 ALA 6 HB1 ALA 6 7.353 -2.690 0.300 36 HB2 ALA 6 HB2 ALA 6 8.735 -3.358 -0.567 37 HB3 ALA 6 HB3 ALA 6 8.041 -1.815 -1.067 38 H CGU 7 HN GLA 7 9.415 0.016 -1.152 39 HA CGU 7 HA GLA 7 11.937 -0.664 -2.273 40 HB2 CGU 7 HB1 GLA 7 11.900 1.680 -3.157 41 HB3 CGU 7 HB2 GLA 7 10.502 2.015 -2.135 42 HG CGU 7 HG GLA 7 9.458 -0.098 -3.326 43 H LYS 8 HN LYS 8 11.061 1.745 0.201 44 HA LYS 8 HA LYS 8 13.655 2.763 0.731 45 HB2 LYS 8 HB2 LYS 8 11.438 3.617 1.614 46 HB3 LYS 8 HB1 LYS 8 11.492 2.308 2.794 47 HG2 LYS 8 HG2 LYS 8 13.028 3.378 4.067 48 HG3 LYS 8 HG1 LYS 8 14.010 3.794 2.661 49 HD2 LYS 8 HD2 LYS 8 11.482 5.288 2.762 50 HD3 LYS 8 HD1 LYS 8 12.509 5.585 4.165 51 HE2 LYS 8 HE2 LYS 8 13.505 5.734 1.305 52 HE3 LYS 8 HE1 LYS 8 12.942 7.137 2.217 53 HZ1 LYS 8 HZ1 LYS 8 15.413 6.669 2.289 54 HZ2 LYS 8 HZ2 LYS 8 15.044 5.318 3.250 55 HZ3 LYS 8 HZ3 LYS 8 14.654 6.877 3.789 56 H ALA 9 HN ALA 9 11.909 0.028 2.186 57 HA ALA 9 HA ALA 9 13.868 -0.794 4.052 58 HB1 ALA 9 HB1 ALA 9 12.310 -2.853 2.530 59 HB2 ALA 9 HB2 ALA 9 11.426 -1.674 3.499 60 HB3 ALA 9 HB3 ALA 9 12.610 -2.735 4.265 61 H CGU 10 HN GLA 10 13.500 -1.834 0.619 62 HA CGU 10 HA GLA 10 15.877 -3.469 0.755 63 HB2 CGU 10 HB1 GLA 10 14.178 -2.466 -1.549 64 HB3 CGU 10 HB2 GLA 10 14.295 -4.107 -0.914 65 HG CGU 10 HG GLA 10 16.694 -2.680 -1.991 66 H PHE 11 HN PHE 11 15.195 -0.170 -0.508 67 HA PHE 11 HA PHE 11 17.880 0.302 -1.451 68 HB2 PHE 11 HB2 PHE 11 16.636 1.977 -2.313 69 HB3 PHE 11 HB1 PHE 11 15.426 1.844 -1.056 70 HD1 PHE 11 HD1 PHE 11 17.855 3.941 -2.450 71 HD2 PHE 11 HD2 PHE 11 16.300 2.716 1.356 72 HE1 PHE 11 HE1 PHE 11 18.642 6.067 -1.434 73 HE2 PHE 11 HE2 PHE 11 17.110 4.820 2.377 74 HZ PHE 11 HZ PHE 11 18.278 6.502 0.978 75 H ALA 12 HN ALA 12 16.287 0.762 1.679 76 HA ALA 12 HA ALA 12 18.437 2.105 2.985 77 HB1 ALA 12 HB1 ALA 12 17.449 1.086 5.080 78 HB2 ALA 12 HB2 ALA 12 16.339 0.188 4.045 79 HB3 ALA 12 HB3 ALA 12 16.284 1.950 4.077 80 H ARG 13 HN ARG 13 17.899 -1.295 2.203 81 HA ARG 13 HA ARG 13 20.059 -2.277 3.874 82 HB2 ARG 13 HB2 ARG 13 18.199 -3.719 3.067 83 HB3 ARG 13 HB1 ARG 13 18.800 -3.541 1.419 84 HG2 ARG 13 HG2 ARG 13 20.953 -4.548 2.088 85 HG3 ARG 13 HG1 ARG 13 20.360 -4.724 3.739 86 HD2 ARG 13 HD2 ARG 13 20.054 -6.852 2.675 87 HD3 ARG 13 HD1 ARG 13 18.456 -6.114 2.794 88 HE ARG 13 HE ARG 13 19.433 -5.327 0.281 89 HH11 ARG 13 HH11 ARG 13 17.175 -6.539 -0.330 90 HH12 ARG 13 HH12 ARG 13 17.518 -8.194 -0.730 91 HH21 ARG 13 HH21 ARG 13 20.614 -8.185 0.776 92 HH22 ARG 13 HH22 ARG 13 19.461 -9.123 -0.106 93 H CGU 14 HN GLA 14 19.857 -2.112 0.288 94 HA CGU 14 HA GLA 14 22.624 -2.477 -0.152 95 HB2 CGU 14 HB1 GLA 14 22.092 -1.335 -2.387 96 HB3 CGU 14 HB2 GLA 14 20.447 -1.157 -1.784 97 HG CGU 14 HG GLA 14 21.722 -3.850 -1.566 98 H LEU 15 HN LEU 15 20.797 0.566 0.349 99 HA LEU 15 HA LEU 15 23.235 2.115 -0.111 100 HB2 LEU 15 HB2 LEU 15 20.397 2.828 0.633 101 HB3 LEU 15 HB1 LEU 15 21.681 4.036 0.682 102 HG LEU 15 HG LEU 15 22.229 3.123 -1.737 103 HD11 LEU 15 HD11 LEU 15 19.349 2.315 -1.317 104 HD12 LEU 15 HD12 LEU 15 20.690 1.272 -1.779 105 HD13 LEU 15 HD13 LEU 15 20.094 2.491 -2.903 106 HD21 LEU 15 HD21 LEU 15 19.960 4.643 -2.306 107 HD22 LEU 15 HD22 LEU 15 21.588 5.260 -2.039 108 HD23 LEU 15 HD23 LEU 15 20.450 5.173 -0.696 109 H ALA 16 HN ALA 16 21.828 0.544 2.618 110 HA ALA 16 HA ALA 16 22.859 2.294 4.674 111 HB1 ALA 16 HB1 ALA 16 22.010 -0.591 4.596 112 HB2 ALA 16 HB2 ALA 16 21.331 0.742 5.529 113 HB3 ALA 16 HB3 ALA 16 22.867 0.023 6.009 114 H ASN 17 HN ASN 17 24.169 -0.652 3.117 115 HA ASN 17 HA ASN 17 26.718 -0.486 4.493 116 HB2 ASN 17 HB2 ASN 17 27.478 -2.074 2.688 117 HB3 ASN 17 HB1 ASN 17 26.021 -2.611 3.523 118 HD21 ASN 17 HD21 ASN 17 27.083 -0.903 0.549 119 HD22 ASN 17 HD22 ASN 17 25.722 -1.358 -0.373 120 H TYR 18 HN TYR 18 25.327 0.939 1.646 121 HA TYR 18 HA TYR 18 27.845 1.907 0.531 122 HB2 TYR 18 HB2 TYR 18 25.784 1.476 -0.839 123 HB3 TYR 18 HB1 TYR 18 25.013 2.839 -0.027 124 HD1 TYR 18 HD1 TYR 18 28.146 1.996 -1.922 125 HD2 TYR 18 HD2 TYR 18 25.207 4.974 -0.959 126 HE1 TYR 18 HE1 TYR 18 29.206 3.565 -3.524 127 HE2 TYR 18 HE2 TYR 18 26.268 6.536 -2.565 128 HH TYR 18 HH TYR 18 29.005 6.572 -3.536 129 HN1 NH2 19 H1 NH2 19 25.074 3.580 2.196 130 HN2 NH2 19 H2 NH2 19 26.032 4.895 2.734 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 0.319 1.779 -0.306 2 H2 GLY 1 HT2 GLY 1 1.721 1.267 -1.127 3 H3 GLY 1 HT3 GLY 1 1.135 2.857 -1.333 4 HA2 GLY 1 HA1 GLY 1 2.574 3.476 0.249 5 HA3 GLY 1 HA2 GLY 1 1.475 2.673 1.375 6 H GLU 2 HN GLU 2 1.753 0.096 0.958 7 HA GLU 2 HA GLU 2 3.969 -0.870 2.260 8 HB2 GLU 2 HB2 GLU 2 3.560 -3.006 1.065 9 HB3 GLU 2 HB1 GLU 2 2.047 -2.250 1.560 10 HG2 GLU 2 HG2 GLU 2 3.264 -2.303 -1.221 11 HG3 GLU 2 HG1 GLU 2 1.718 -2.967 -0.709 12 H CGU 3 HN GLA 3 3.727 -0.443 -1.285 13 HA CGU 3 HA GLA 3 6.409 -1.273 -1.876 14 HB2 CGU 3 HB1 GLA 3 4.594 0.680 -3.372 15 HB3 CGU 3 HB2 GLA 3 4.596 -1.069 -3.623 16 HG CGU 3 HG GLA 3 6.963 0.787 -4.060 17 H CGU 4 HN GLA 4 5.016 1.894 -1.094 18 HA CGU 4 HA GLA 4 7.360 3.456 -1.581 19 HB2 CGU 4 HB1 GLA 4 6.190 4.855 0.387 20 HB3 CGU 4 HB2 GLA 4 4.852 3.771 0.011 21 HG CGU 4 HG GLA 4 5.221 4.412 -2.444 22 H LEU 5 HN LEU 5 6.321 1.486 1.143 23 HA LEU 5 HA LEU 5 8.554 2.367 2.836 24 HB2 LEU 5 HB2 LEU 5 6.335 0.333 3.104 25 HB3 LEU 5 HB1 LEU 5 7.676 0.374 4.248 26 HG LEU 5 HG LEU 5 7.084 2.979 4.282 27 HD11 LEU 5 HD11 LEU 5 5.286 2.841 2.634 28 HD12 LEU 5 HD12 LEU 5 4.618 3.268 4.208 29 HD13 LEU 5 HD13 LEU 5 4.464 1.618 3.602 30 HD21 LEU 5 HD21 LEU 5 5.631 0.776 5.769 31 HD22 LEU 5 HD22 LEU 5 5.582 2.474 6.242 32 HD23 LEU 5 HD23 LEU 5 7.111 1.595 6.267 33 H ALA 6 HN ALA 6 7.571 -0.581 1.070 34 HA ALA 6 HA ALA 6 9.800 -2.205 1.675 35 HB1 ALA 6 HB1 ALA 6 9.003 -2.442 -1.126 36 HB2 ALA 6 HB2 ALA 6 7.607 -2.362 -0.050 37 HB3 ALA 6 HB3 ALA 6 8.831 -3.607 0.187 38 H CGU 7 HN GLA 7 9.409 0.105 -1.038 39 HA CGU 7 HA GLA 7 11.964 -0.217 -2.211 40 HB2 CGU 7 HB1 GLA 7 11.638 2.186 -2.946 41 HB3 CGU 7 HB2 GLA 7 10.186 2.236 -1.946 42 HG CGU 7 HG GLA 7 9.493 0.074 -3.300 43 H LYS 8 HN LYS 8 10.939 2.207 0.220 44 HA LYS 8 HA LYS 8 13.519 3.281 0.744 45 HB2 LYS 8 HB2 LYS 8 11.115 2.978 2.558 46 HB3 LYS 8 HB1 LYS 8 12.539 3.938 2.956 47 HG2 LYS 8 HG2 LYS 8 12.177 5.333 0.958 48 HG3 LYS 8 HG1 LYS 8 10.760 4.370 0.535 49 HD2 LYS 8 HD2 LYS 8 9.918 4.969 2.923 50 HD3 LYS 8 HD1 LYS 8 11.134 6.243 2.870 51 HE2 LYS 8 HE2 LYS 8 9.206 7.307 2.036 52 HE3 LYS 8 HE1 LYS 8 10.079 6.850 0.571 53 HZ1 LYS 8 HZ1 LYS 8 8.021 6.011 0.081 54 HZ2 LYS 8 HZ2 LYS 8 7.638 5.703 1.720 55 HZ3 LYS 8 HZ3 LYS 8 8.690 4.652 0.881 56 H ALA 9 HN ALA 9 11.775 0.554 2.225 57 HA ALA 9 HA ALA 9 13.752 -0.066 4.203 58 HB1 ALA 9 HB1 ALA 9 11.312 -0.944 3.910 59 HB2 ALA 9 HB2 ALA 9 12.527 -2.032 4.580 60 HB3 ALA 9 HB3 ALA 9 12.052 -2.175 2.888 61 H CGU 10 HN GLA 10 13.338 -1.277 0.851 62 HA CGU 10 HA GLA 10 15.593 -3.072 1.078 63 HB2 CGU 10 HB1 GLA 10 13.917 -2.071 -1.229 64 HB3 CGU 10 HB2 GLA 10 14.002 -3.698 -0.554 65 HG CGU 10 HG GLA 10 16.436 -2.405 -1.714 66 H PHE 11 HN PHE 11 15.156 0.201 -0.335 67 HA PHE 11 HA PHE 11 17.793 0.464 -1.410 68 HB2 PHE 11 HB2 PHE 11 16.619 2.265 -2.118 69 HB3 PHE 11 HB1 PHE 11 15.544 2.220 -0.734 70 HD1 PHE 11 HD1 PHE 11 16.709 2.957 1.573 71 HD2 PHE 11 HD2 PHE 11 18.059 4.072 -2.346 72 HE1 PHE 11 HE1 PHE 11 17.819 4.952 2.531 73 HE2 PHE 11 HE2 PHE 11 19.167 6.074 -1.386 74 HZ PHE 11 HZ PHE 11 19.052 6.512 1.050 75 H ALA 12 HN ALA 12 16.521 0.884 1.841 76 HA ALA 12 HA ALA 12 18.816 2.065 3.031 77 HB1 ALA 12 HB1 ALA 12 16.656 1.859 4.201 78 HB2 ALA 12 HB2 ALA 12 17.944 1.114 5.148 79 HB3 ALA 12 HB3 ALA 12 16.830 0.104 4.227 80 H ARG 13 HN ARG 13 17.976 -1.371 2.488 81 HA ARG 13 HA ARG 13 20.271 -2.459 3.804 82 HB2 ARG 13 HB2 ARG 13 18.693 -3.540 1.451 83 HB3 ARG 13 HB1 ARG 13 19.851 -4.475 2.397 84 HG2 ARG 13 HG2 ARG 13 18.500 -4.047 4.438 85 HG3 ARG 13 HG1 ARG 13 17.329 -3.160 3.460 86 HD2 ARG 13 HD2 ARG 13 16.547 -5.456 3.781 87 HD3 ARG 13 HD1 ARG 13 16.966 -5.205 2.085 88 HE ARG 13 HE ARG 13 18.710 -6.784 2.342 89 HH11 ARG 13 HH11 ARG 13 20.264 -5.625 4.477 90 HH12 ARG 13 HH12 ARG 13 20.042 -6.723 5.796 91 HH21 ARG 13 HH21 ARG 13 17.253 -8.197 4.403 92 HH22 ARG 13 HH22 ARG 13 18.334 -8.180 5.752 93 H CGU 14 HN GLA 14 19.817 -2.146 0.260 94 HA CGU 14 HA GLA 14 22.495 -2.683 -0.438 95 HB2 CGU 14 HB1 GLA 14 21.876 -1.411 -2.568 96 HB3 CGU 14 HB2 GLA 14 20.316 -1.103 -1.814 97 HG CGU 14 HG GLA 14 21.308 -3.916 -1.765 98 H LEU 15 HN LEU 15 20.984 0.465 0.346 99 HA LEU 15 HA LEU 15 23.512 1.833 -0.252 100 HB2 LEU 15 HB2 LEU 15 20.768 2.739 0.630 101 HB3 LEU 15 HB1 LEU 15 22.132 3.857 0.590 102 HG LEU 15 HG LEU 15 22.483 2.880 -1.841 103 HD11 LEU 15 HD11 LEU 15 19.558 2.328 -1.305 104 HD12 LEU 15 HD12 LEU 15 20.793 1.136 -1.700 105 HD13 LEU 15 HD13 LEU 15 20.304 2.331 -2.900 106 HD21 LEU 15 HD21 LEU 15 20.277 4.539 -2.294 107 HD22 LEU 15 HD22 LEU 15 21.961 5.041 -2.168 108 HD23 LEU 15 HD23 LEU 15 20.927 5.065 -0.741 109 H ALA 16 HN ALA 16 21.701 0.934 2.703 110 HA ALA 16 HA ALA 16 23.578 2.356 4.435 111 HB1 ALA 16 HB1 ALA 16 21.189 1.683 5.055 112 HB2 ALA 16 HB2 ALA 16 22.424 1.335 6.266 113 HB3 ALA 16 HB3 ALA 16 21.803 0.040 5.243 114 H ASN 17 HN ASN 17 23.389 -0.829 2.998 115 HA ASN 17 HA ASN 17 25.696 -1.783 4.625 116 HB2 ASN 17 HB2 ASN 17 23.658 -3.261 4.032 117 HB3 ASN 17 HB1 ASN 17 24.318 -3.309 2.396 118 HD21 ASN 17 HD21 ASN 17 27.084 -3.512 2.926 119 HD22 ASN 17 HD22 ASN 17 27.378 -4.974 3.768 120 H TYR 18 HN TYR 18 25.304 0.146 2.034 121 HA TYR 18 HA TYR 18 27.119 -0.916 0.082 122 HB2 TYR 18 HB2 TYR 18 25.427 1.042 -0.126 123 HB3 TYR 18 HB1 TYR 18 26.687 2.035 0.597 124 HD1 TYR 18 HD1 TYR 18 29.022 2.007 -0.528 125 HD2 TYR 18 HD2 TYR 18 25.455 0.574 -2.444 126 HE1 TYR 18 HE1 TYR 18 30.122 2.214 -2.737 127 HE2 TYR 18 HE2 TYR 18 26.562 0.784 -4.651 128 HH TYR 18 HH TYR 18 29.174 2.559 -5.233 129 HN1 NH2 19 H1 NH2 19 27.669 1.343 2.841 130 HN2 NH2 19 H2 NH2 19 29.374 1.203 2.803 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 1.716 4.766 -0.706 2 H2 GLY 1 HT2 GLY 1 3.164 3.876 -0.822 3 H3 GLY 1 HT3 GLY 1 2.901 4.918 0.500 4 HA2 GLY 1 HA1 GLY 1 1.323 3.524 1.472 5 HA3 GLY 1 HA2 GLY 1 1.088 2.641 -0.036 6 H GLU 2 HN GLU 2 1.696 0.586 0.642 7 HA GLU 2 HA GLU 2 3.899 -0.002 2.373 8 HB2 GLU 2 HB2 GLU 2 2.045 -1.569 1.964 9 HB3 GLU 2 HB1 GLU 2 2.555 -1.746 0.285 10 HG2 GLU 2 HG2 GLU 2 4.791 -2.562 1.130 11 HG3 GLU 2 HG1 GLU 2 4.112 -2.556 2.758 12 H CGU 3 HN GLA 3 3.660 -0.248 -1.195 13 HA CGU 3 HA GLA 3 6.179 -1.233 -1.823 14 HB2 CGU 3 HB1 GLA 3 4.738 1.059 -3.243 15 HB3 CGU 3 HB2 GLA 3 4.457 -0.656 -3.570 16 HG CGU 3 HG GLA 3 7.076 0.848 -3.942 17 H CGU 4 HN GLA 4 5.414 2.172 -1.073 18 HA CGU 4 HA GLA 4 7.981 3.271 -1.513 19 HB2 CGU 4 HB1 GLA 4 7.233 4.913 0.329 20 HB3 CGU 4 HB2 GLA 4 5.765 3.938 0.427 21 HG CGU 4 HG GLA 4 6.784 5.276 -2.133 22 H LEU 5 HN LEU 5 6.619 1.775 1.428 23 HA LEU 5 HA LEU 5 9.019 2.074 2.998 24 HB2 LEU 5 HB2 LEU 5 6.552 0.339 3.200 25 HB3 LEU 5 HB1 LEU 5 7.911 0.103 4.297 26 HG LEU 5 HG LEU 5 7.724 2.703 4.650 27 HD11 LEU 5 HD11 LEU 5 5.030 1.941 3.509 28 HD12 LEU 5 HD12 LEU 5 6.085 3.262 3.009 29 HD13 LEU 5 HD13 LEU 5 5.250 3.341 4.560 30 HD21 LEU 5 HD21 LEU 5 5.985 2.268 6.441 31 HD22 LEU 5 HD22 LEU 5 7.348 1.148 6.453 32 HD23 LEU 5 HD23 LEU 5 5.801 0.647 5.770 33 H ALA 6 HN ALA 6 7.638 -0.576 1.064 34 HA ALA 6 HA ALA 6 9.643 -2.529 1.492 35 HB1 ALA 6 HB1 ALA 6 8.799 -3.610 -0.442 36 HB2 ALA 6 HB2 ALA 6 8.350 -2.083 -1.203 37 HB3 ALA 6 HB3 ALA 6 7.419 -2.693 0.164 38 H CGU 7 HN GLA 7 9.475 -0.034 -1.079 39 HA CGU 7 HA GLA 7 12.001 -0.615 -2.260 40 HB2 CGU 7 HB1 GLA 7 11.889 1.795 -3.016 41 HB3 CGU 7 HB2 GLA 7 10.448 1.989 -2.018 42 HG CGU 7 HG GLA 7 9.551 -0.105 -3.340 43 H LYS 8 HN LYS 8 11.128 1.838 0.200 44 HA LYS 8 HA LYS 8 13.743 2.751 0.781 45 HB2 LYS 8 HB2 LYS 8 11.218 2.555 2.401 46 HB3 LYS 8 HB1 LYS 8 12.712 3.139 3.136 47 HG2 LYS 8 HG2 LYS 8 12.906 4.874 1.398 48 HG3 LYS 8 HG1 LYS 8 11.423 4.287 0.639 49 HD2 LYS 8 HD2 LYS 8 10.140 4.825 2.647 50 HD3 LYS 8 HD1 LYS 8 11.609 5.330 3.483 51 HE2 LYS 8 HE2 LYS 8 11.951 7.113 1.798 52 HE3 LYS 8 HE1 LYS 8 10.466 6.618 0.981 53 HZ1 LYS 8 HZ1 LYS 8 10.577 8.482 2.910 54 HZ2 LYS 8 HZ2 LYS 8 10.189 7.104 3.825 55 HZ3 LYS 8 HZ3 LYS 8 9.189 7.580 2.538 56 H ALA 9 HN ALA 9 11.885 0.059 2.187 57 HA ALA 9 HA ALA 9 13.758 -0.808 4.117 58 HB1 ALA 9 HB1 ALA 9 12.596 -2.886 4.112 59 HB2 ALA 9 HB2 ALA 9 12.124 -2.707 2.422 60 HB3 ALA 9 HB3 ALA 9 11.386 -1.686 3.657 61 H CGU 10 HN GLA 10 13.522 -1.867 0.676 62 HA CGU 10 HA GLA 10 15.920 -3.470 0.910 63 HB2 CGU 10 HB1 GLA 10 14.214 -2.579 -1.424 64 HB3 CGU 10 HB2 GLA 10 14.428 -4.204 -0.773 65 HG CGU 10 HG GLA 10 16.778 -2.688 -1.830 66 H PHE 11 HN PHE 11 15.233 -0.234 -0.495 67 HA PHE 11 HA PHE 11 17.879 0.244 -1.465 68 HB2 PHE 11 HB2 PHE 11 16.690 1.961 -2.279 69 HB3 PHE 11 HB1 PHE 11 15.434 1.748 -1.078 70 HD1 PHE 11 HD1 PHE 11 16.223 2.534 1.402 71 HD2 PHE 11 HD2 PHE 11 17.817 3.971 -2.311 72 HE1 PHE 11 HE1 PHE 11 16.912 4.633 2.524 73 HE2 PHE 11 HE2 PHE 11 18.504 6.079 -1.190 74 HZ PHE 11 HZ PHE 11 18.057 6.406 1.225 75 H ALA 12 HN ALA 12 16.440 0.583 1.730 76 HA ALA 12 HA ALA 12 18.584 2.002 2.965 77 HB1 ALA 12 HB1 ALA 12 17.768 0.885 5.073 78 HB2 ALA 12 HB2 ALA 12 16.676 -0.081 4.078 79 HB3 ALA 12 HB3 ALA 12 16.486 1.671 4.149 80 H ARG 13 HN ARG 13 18.063 -1.482 2.405 81 HA ARG 13 HA ARG 13 20.388 -2.401 3.788 82 HB2 ARG 13 HB2 ARG 13 19.016 -3.581 1.352 83 HB3 ARG 13 HB1 ARG 13 20.160 -4.435 2.388 84 HG2 ARG 13 HG2 ARG 13 18.655 -4.169 4.307 85 HG3 ARG 13 HG1 ARG 13 17.534 -3.234 3.323 86 HD2 ARG 13 HD2 ARG 13 16.672 -5.474 3.389 87 HD3 ARG 13 HD1 ARG 13 17.367 -5.246 1.783 88 HE ARG 13 HE ARG 13 18.915 -6.945 2.308 89 HH11 ARG 13 HH11 ARG 13 17.494 -8.404 4.185 90 HH12 ARG 13 HH12 ARG 13 18.348 -8.230 5.678 91 HH21 ARG 13 HH21 ARG 13 20.091 -5.448 4.625 92 HH22 ARG 13 HH22 ARG 13 19.821 -6.552 5.930 93 H CGU 14 HN GLA 14 20.024 -2.059 0.231 94 HA CGU 14 HA GLA 14 22.784 -2.331 -0.342 95 HB2 CGU 14 HB1 GLA 14 22.138 -1.169 -2.516 96 HB3 CGU 14 HB2 GLA 14 20.520 -0.998 -1.845 97 HG CGU 14 HG GLA 14 21.772 -3.704 -1.710 98 H LEU 15 HN LEU 15 20.885 0.638 0.332 99 HA LEU 15 HA LEU 15 23.253 2.285 -0.178 100 HB2 LEU 15 HB2 LEU 15 20.408 2.863 0.652 101 HB3 LEU 15 HB1 LEU 15 21.637 4.127 0.684 102 HG LEU 15 HG LEU 15 22.163 3.265 -1.759 103 HD11 LEU 15 HD11 LEU 15 20.674 1.342 -1.714 104 HD12 LEU 15 HD12 LEU 15 20.092 2.507 -2.900 105 HD13 LEU 15 HD13 LEU 15 19.305 2.381 -1.330 106 HD21 LEU 15 HD21 LEU 15 20.346 5.234 -0.649 107 HD22 LEU 15 HD22 LEU 15 19.806 4.690 -2.239 108 HD23 LEU 15 HD23 LEU 15 21.420 5.368 -2.039 109 H ALA 16 HN ALA 16 21.473 1.230 2.766 110 HA ALA 16 HA ALA 16 23.068 2.835 4.561 111 HB1 ALA 16 HB1 ALA 16 20.928 1.642 5.193 112 HB2 ALA 16 HB2 ALA 16 22.254 1.392 6.328 113 HB3 ALA 16 HB3 ALA 16 21.835 0.129 5.171 114 H ASN 17 HN ASN 17 23.614 -0.168 2.888 115 HA ASN 17 HA ASN 17 26.071 -0.741 4.461 116 HB2 ASN 17 HB2 ASN 17 24.466 -2.574 3.626 117 HB3 ASN 17 HB1 ASN 17 25.090 -2.237 2.011 118 HD21 ASN 17 HD21 ASN 17 27.869 -1.756 2.788 119 HD22 ASN 17 HD22 ASN 17 28.494 -3.256 3.322 120 H TYR 18 HN TYR 18 25.130 1.055 1.747 121 HA TYR 18 HA TYR 18 27.562 0.750 0.174 122 HB2 TYR 18 HB2 TYR 18 25.593 1.455 -0.999 123 HB3 TYR 18 HB1 TYR 18 25.305 2.771 0.141 124 HD1 TYR 18 HD1 TYR 18 28.011 1.518 -2.157 125 HD2 TYR 18 HD2 TYR 18 25.992 4.916 -0.467 126 HE1 TYR 18 HE1 TYR 18 29.396 3.036 -3.548 127 HE2 TYR 18 HE2 TYR 18 27.382 6.428 -1.860 128 HH TYR 18 HH TYR 18 28.770 5.833 -4.384 129 HN1 NH2 19 H1 NH2 19 26.340 3.476 2.236 130 HN2 NH2 19 H2 NH2 19 27.898 4.102 2.562 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 2.532 4.243 1.909 2 H2 GLY 1 HT2 GLY 1 1.157 4.926 1.177 3 H3 GLY 1 HT3 GLY 1 2.659 4.954 0.369 4 HA2 GLY 1 HA1 GLY 1 0.705 2.808 0.600 5 HA3 GLY 1 HA2 GLY 1 1.849 3.158 -0.696 6 H GLU 2 HN GLU 2 1.522 0.564 0.226 7 HA GLU 2 HA GLU 2 3.585 -0.076 2.210 8 HB2 GLU 2 HB2 GLU 2 3.057 -2.463 1.507 9 HB3 GLU 2 HB1 GLU 2 1.695 -1.548 2.152 10 HG2 GLU 2 HG2 GLU 2 2.251 -1.679 -0.821 11 HG3 GLU 2 HG1 GLU 2 1.274 -2.897 -0.004 12 H CGU 3 HN GLA 3 3.508 0.417 -1.202 13 HA CGU 3 HA GLA 3 5.802 -1.264 -1.837 14 HB2 CGU 3 HB1 GLA 3 4.627 1.144 -3.313 15 HB3 CGU 3 HB2 GLA 3 4.205 -0.541 -3.640 16 HG CGU 3 HG GLA 3 6.977 0.688 -3.916 17 H CGU 4 HN GLA 4 5.343 2.114 -0.865 18 HA CGU 4 HA GLA 4 7.926 3.109 -1.392 19 HB2 CGU 4 HB1 GLA 4 7.460 4.636 0.569 20 HB3 CGU 4 HB2 GLA 4 5.975 3.723 0.836 21 HG CGU 4 HG GLA 4 6.393 4.607 -1.961 22 H LEU 5 HN LEU 5 6.749 1.854 1.763 23 HA LEU 5 HA LEU 5 9.222 1.830 3.080 24 HB2 LEU 5 HB2 LEU 5 8.245 0.288 4.626 25 HB3 LEU 5 HB1 LEU 5 6.992 1.416 4.130 26 HG LEU 5 HG LEU 5 6.493 -0.409 2.304 27 HD11 LEU 5 HD11 LEU 5 8.600 -1.624 3.706 28 HD12 LEU 5 HD12 LEU 5 7.537 -2.393 2.528 29 HD13 LEU 5 HD13 LEU 5 7.147 -2.462 4.245 30 HD21 LEU 5 HD21 LEU 5 4.871 -1.425 3.813 31 HD22 LEU 5 HD22 LEU 5 5.002 0.293 4.191 32 HD23 LEU 5 HD23 LEU 5 5.802 -0.899 5.216 33 H ALA 6 HN ALA 6 7.775 -0.751 1.137 34 HA ALA 6 HA ALA 6 9.802 -2.693 1.422 35 HB1 ALA 6 HB1 ALA 6 8.479 -2.186 -1.243 36 HB2 ALA 6 HB2 ALA 6 7.535 -2.785 0.122 37 HB3 ALA 6 HB3 ALA 6 8.894 -3.728 -0.491 38 H CGU 7 HN GLA 7 9.554 -0.104 -1.039 39 HA CGU 7 HA GLA 7 12.105 -0.636 -2.244 40 HB2 CGU 7 HB1 GLA 7 11.843 1.649 -3.184 41 HB3 CGU 7 HB2 GLA 7 10.468 1.923 -2.114 42 HG CGU 7 HG GLA 7 9.516 -0.286 -3.201 43 H LYS 8 HN LYS 8 11.055 1.811 0.137 44 HA LYS 8 HA LYS 8 13.581 3.005 0.627 45 HB2 LYS 8 HB2 LYS 8 11.160 2.603 2.393 46 HB3 LYS 8 HB1 LYS 8 12.562 3.552 2.891 47 HG2 LYS 8 HG2 LYS 8 12.205 5.191 1.248 48 HG3 LYS 8 HG1 LYS 8 11.231 4.112 0.247 49 HD2 LYS 8 HD2 LYS 8 9.424 4.170 1.927 50 HD3 LYS 8 HD1 LYS 8 10.396 5.238 2.941 51 HE2 LYS 8 HE2 LYS 8 10.436 6.913 1.097 52 HE3 LYS 8 HE1 LYS 8 9.392 5.856 0.143 53 HZ1 LYS 8 HZ1 LYS 8 8.257 6.163 2.690 54 HZ2 LYS 8 HZ2 LYS 8 7.628 6.687 1.189 55 HZ3 LYS 8 HZ3 LYS 8 8.645 7.707 2.107 56 H ALA 9 HN ALA 9 11.996 0.222 2.194 57 HA ALA 9 HA ALA 9 14.052 -0.314 4.103 58 HB1 ALA 9 HB1 ALA 9 12.291 -2.388 2.769 59 HB2 ALA 9 HB2 ALA 9 11.718 -1.313 4.045 60 HB3 ALA 9 HB3 ALA 9 13.013 -2.464 4.376 61 H CGU 10 HN GLA 10 13.569 -1.705 0.802 62 HA CGU 10 HA GLA 10 15.954 -3.291 0.969 63 HB2 CGU 10 HB1 GLA 10 14.259 -2.370 -1.370 64 HB3 CGU 10 HB2 GLA 10 14.382 -3.988 -0.678 65 HG CGU 10 HG GLA 10 16.815 -2.627 -1.734 66 H PHE 11 HN PHE 11 15.308 -0.049 -0.442 67 HA PHE 11 HA PHE 11 17.952 0.378 -1.464 68 HB2 PHE 11 HB2 PHE 11 16.510 1.970 -2.257 69 HB3 PHE 11 HB1 PHE 11 15.587 2.022 -0.776 70 HD1 PHE 11 HD1 PHE 11 16.957 3.082 1.326 71 HD2 PHE 11 HD2 PHE 11 17.793 3.806 -2.828 72 HE1 PHE 11 HE1 PHE 11 17.998 5.247 1.913 73 HE2 PHE 11 HE2 PHE 11 18.835 5.975 -2.235 74 HZ PHE 11 HZ PHE 11 18.939 6.694 0.136 75 H ALA 12 HN ALA 12 16.515 1.014 1.728 76 HA ALA 12 HA ALA 12 18.783 2.256 2.895 77 HB1 ALA 12 HB1 ALA 12 17.851 1.423 5.060 78 HB2 ALA 12 HB2 ALA 12 16.722 0.412 4.155 79 HB3 ALA 12 HB3 ALA 12 16.620 2.170 4.041 80 H ARG 13 HN ARG 13 17.978 -1.196 2.487 81 HA ARG 13 HA ARG 13 20.163 -2.260 3.995 82 HB2 ARG 13 HB2 ARG 13 18.117 -3.487 3.016 83 HB3 ARG 13 HB1 ARG 13 19.026 -3.553 1.511 84 HG2 ARG 13 HG2 ARG 13 20.164 -4.539 4.135 85 HG3 ARG 13 HG1 ARG 13 19.255 -5.586 3.049 86 HD2 ARG 13 HD2 ARG 13 21.288 -5.998 2.108 87 HD3 ARG 13 HD1 ARG 13 21.038 -4.446 1.307 88 HE ARG 13 HE ARG 13 22.570 -3.420 2.867 89 HH11 ARG 13 HH11 ARG 13 24.712 -5.016 2.696 90 HH12 ARG 13 HH12 ARG 13 24.798 -5.970 4.144 91 HH21 ARG 13 HH21 ARG 13 21.523 -5.423 5.043 92 HH22 ARG 13 HH22 ARG 13 23.008 -6.205 5.456 93 H CGU 14 HN GLA 14 19.911 -1.757 0.446 94 HA CGU 14 HA GLA 14 22.707 -2.323 0.009 95 HB2 CGU 14 HB1 GLA 14 22.206 -1.280 -2.258 96 HB3 CGU 14 HB2 GLA 14 20.569 -0.996 -1.679 97 HG CGU 14 HG GLA 14 21.650 -3.732 -1.271 98 H LEU 15 HN LEU 15 20.821 0.651 0.491 99 HA LEU 15 HA LEU 15 23.011 2.441 -0.111 100 HB2 LEU 15 HB2 LEU 15 20.416 2.758 1.400 101 HB3 LEU 15 HB1 LEU 15 21.545 4.087 1.171 102 HG LEU 15 HG LEU 15 19.550 3.499 -0.537 103 HD11 LEU 15 HD11 LEU 15 20.757 4.867 -2.188 104 HD12 LEU 15 HD12 LEU 15 22.235 4.647 -1.251 105 HD13 LEU 15 HD13 LEU 15 20.873 5.526 -0.557 106 HD21 LEU 15 HD21 LEU 15 20.461 1.358 -1.283 107 HD22 LEU 15 HD22 LEU 15 21.983 2.137 -1.705 108 HD23 LEU 15 HD23 LEU 15 20.517 2.529 -2.595 109 H ALA 16 HN ALA 16 21.623 1.284 3.001 110 HA ALA 16 HA ALA 16 23.601 2.575 4.640 111 HB1 ALA 16 HB1 ALA 16 22.883 1.023 6.394 112 HB2 ALA 16 HB2 ALA 16 22.103 -0.010 5.195 113 HB3 ALA 16 HB3 ALA 16 21.467 1.604 5.516 114 H ASN 17 HN ASN 17 23.571 -0.335 2.740 115 HA ASN 17 HA ASN 17 26.091 -1.350 3.901 116 HB2 ASN 17 HB2 ASN 17 24.326 -2.919 3.124 117 HB3 ASN 17 HB1 ASN 17 24.499 -2.296 1.487 118 HD21 ASN 17 HD21 ASN 17 27.596 -2.108 2.138 119 HD22 ASN 17 HD22 ASN 17 28.098 -3.722 1.899 120 H TYR 18 HN TYR 18 24.926 0.380 1.062 121 HA TYR 18 HA TYR 18 27.487 0.338 -0.327 122 HB2 TYR 18 HB2 TYR 18 25.603 0.623 -1.735 123 HB3 TYR 18 HB1 TYR 18 24.893 1.845 -0.682 124 HD1 TYR 18 HD1 TYR 18 28.040 1.249 -2.652 125 HD2 TYR 18 HD2 TYR 18 25.114 4.085 -1.292 126 HE1 TYR 18 HE1 TYR 18 29.165 3.038 -3.952 127 HE2 TYR 18 HE2 TYR 18 26.243 5.868 -2.593 128 HH TYR 18 HH TYR 18 28.060 5.525 -4.975 129 HN1 NH2 19 H1 NH2 19 25.699 2.932 1.490 130 HN2 NH2 19 H2 NH2 19 27.111 3.850 1.810 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 1.197 1.090 -1.373 2 H2 GLY 1 HT2 GLY 1 -0.138 2.032 -0.901 3 H3 GLY 1 HT3 GLY 1 0.364 0.719 0.058 4 HA2 GLY 1 HA1 GLY 1 1.912 3.228 -0.430 5 HA3 GLY 1 HA2 GLY 1 1.092 2.795 1.072 6 H GLU 2 HN GLU 2 1.668 0.151 1.294 7 HA GLU 2 HA GLU 2 4.041 -0.153 2.616 8 HB2 GLU 2 HB2 GLU 2 3.921 -2.555 2.003 9 HB3 GLU 2 HB1 GLU 2 2.333 -1.912 2.416 10 HG2 GLU 2 HG2 GLU 2 3.429 -2.542 -0.339 11 HG3 GLU 2 HG1 GLU 2 1.984 -3.190 0.427 12 H CGU 3 HN GLA 3 3.646 -0.484 -0.922 13 HA CGU 3 HA GLA 3 6.258 -1.309 -1.592 14 HB2 CGU 3 HB1 GLA 3 4.440 0.642 -3.084 15 HB3 CGU 3 HB2 GLA 3 4.434 -1.113 -3.300 16 HG CGU 3 HG GLA 3 6.801 0.727 -3.838 17 H CGU 4 HN GLA 4 5.113 1.946 -0.750 18 HA CGU 4 HA GLA 4 7.517 3.315 -1.527 19 HB2 CGU 4 HB1 GLA 4 6.633 4.918 0.416 20 HB3 CGU 4 HB2 GLA 4 5.187 3.920 0.254 21 HG CGU 4 HG GLA 4 5.231 4.378 -2.222 22 H LEU 5 HN LEU 5 6.563 1.560 1.376 23 HA LEU 5 HA LEU 5 8.955 2.362 2.861 24 HB2 LEU 5 HB2 LEU 5 6.718 0.382 3.343 25 HB3 LEU 5 HB1 LEU 5 8.128 0.464 4.400 26 HG LEU 5 HG LEU 5 7.580 3.054 4.410 27 HD11 LEU 5 HD11 LEU 5 4.905 1.772 3.782 28 HD12 LEU 5 HD12 LEU 5 5.758 2.952 2.784 29 HD13 LEU 5 HD13 LEU 5 5.122 3.425 4.358 30 HD21 LEU 5 HD21 LEU 5 6.480 2.747 6.490 31 HD22 LEU 5 HD22 LEU 5 7.486 1.311 6.303 32 HD23 LEU 5 HD23 LEU 5 5.755 1.226 5.974 33 H ALA 6 HN ALA 6 7.767 -0.550 1.179 34 HA ALA 6 HA ALA 6 9.968 -2.262 1.669 35 HB1 ALA 6 HB1 ALA 6 7.906 -2.026 -0.471 36 HB2 ALA 6 HB2 ALA 6 8.325 -3.410 0.537 37 HB3 ALA 6 HB3 ALA 6 9.332 -2.995 -0.849 38 H CGU 7 HN GLA 7 9.500 0.073 -1.005 39 HA CGU 7 HA GLA 7 11.967 -0.315 -2.330 40 HB2 CGU 7 HB1 GLA 7 11.681 2.117 -2.998 41 HB3 CGU 7 HB2 GLA 7 10.296 2.193 -1.911 42 HG CGU 7 HG GLA 7 9.439 0.090 -3.257 43 H LYS 8 HN LYS 8 11.154 2.016 0.254 44 HA LYS 8 HA LYS 8 13.795 3.007 0.680 45 HB2 LYS 8 HB2 LYS 8 11.385 2.777 2.493 46 HB3 LYS 8 HB1 LYS 8 12.884 3.565 2.992 47 HG2 LYS 8 HG2 LYS 8 12.646 5.304 1.457 48 HG3 LYS 8 HG1 LYS 8 11.614 4.354 0.389 49 HD2 LYS 8 HD2 LYS 8 9.918 4.389 2.372 50 HD3 LYS 8 HD1 LYS 8 10.891 5.731 2.973 51 HE2 LYS 8 HE2 LYS 8 8.981 6.501 1.570 52 HE3 LYS 8 HE1 LYS 8 10.543 6.964 0.888 53 HZ1 LYS 8 HZ1 LYS 8 8.756 5.852 -0.626 54 HZ2 LYS 8 HZ2 LYS 8 9.309 4.398 0.105 55 HZ3 LYS 8 HZ3 LYS 8 10.391 5.387 -0.764 56 H ALA 9 HN ALA 9 11.970 0.381 2.258 57 HA ALA 9 HA ALA 9 13.950 -0.453 4.100 58 HB1 ALA 9 HB1 ALA 9 12.650 -2.358 4.397 59 HB2 ALA 9 HB2 ALA 9 12.291 -2.507 2.677 60 HB3 ALA 9 HB3 ALA 9 11.472 -1.282 3.644 61 H CGU 10 HN GLA 10 13.519 -1.433 0.669 62 HA CGU 10 HA GLA 10 15.822 -3.196 0.815 63 HB2 CGU 10 HB1 GLA 10 14.105 -2.224 -1.484 64 HB3 CGU 10 HB2 GLA 10 14.173 -3.840 -0.780 65 HG CGU 10 HG GLA 10 16.614 -2.560 -1.936 66 H PHE 11 HN PHE 11 15.240 0.057 -0.620 67 HA PHE 11 HA PHE 11 17.914 0.380 -1.613 68 HB2 PHE 11 HB2 PHE 11 16.562 2.002 -2.493 69 HB3 PHE 11 HB1 PHE 11 15.589 2.127 -1.047 70 HD1 PHE 11 HD1 PHE 11 17.961 3.764 -3.051 71 HD2 PHE 11 HD2 PHE 11 16.923 3.177 1.078 72 HE1 PHE 11 HE1 PHE 11 19.069 5.900 -2.463 73 HE2 PHE 11 HE2 PHE 11 18.049 5.297 1.664 74 HZ PHE 11 HZ PHE 11 19.119 6.664 -0.105 75 H ALA 12 HN ALA 12 16.403 1.095 1.523 76 HA ALA 12 HA ALA 12 18.597 2.368 2.756 77 HB1 ALA 12 HB1 ALA 12 17.689 1.398 4.891 78 HB2 ALA 12 HB2 ALA 12 16.586 0.418 3.924 79 HB3 ALA 12 HB3 ALA 12 16.456 2.177 3.898 80 H ARG 13 HN ARG 13 17.994 -1.098 2.193 81 HA ARG 13 HA ARG 13 20.265 -2.004 3.734 82 HB2 ARG 13 HB2 ARG 13 18.547 -3.244 1.589 83 HB3 ARG 13 HB1 ARG 13 19.963 -4.090 2.215 84 HG2 ARG 13 HG2 ARG 13 19.077 -4.228 4.392 85 HG3 ARG 13 HG1 ARG 13 17.917 -2.930 4.102 86 HD2 ARG 13 HD2 ARG 13 17.715 -5.373 2.393 87 HD3 ARG 13 HD1 ARG 13 17.176 -5.498 4.069 88 HE ARG 13 HE ARG 13 16.067 -3.116 2.863 89 HH11 ARG 13 HH11 ARG 13 15.584 -5.263 0.781 90 HH12 ARG 13 HH12 ARG 13 14.040 -5.871 1.290 91 HH21 ARG 13 HH21 ARG 13 14.221 -4.454 4.424 92 HH22 ARG 13 HH22 ARG 13 13.273 -5.420 3.348 93 H CGU 14 HN GLA 14 19.878 -1.995 0.153 94 HA CGU 14 HA GLA 14 22.626 -2.393 -0.416 95 HB2 CGU 14 HB1 GLA 14 22.034 -1.338 -2.647 96 HB3 CGU 14 HB2 GLA 14 20.433 -1.014 -1.990 97 HG CGU 14 HG GLA 14 21.488 -3.798 -1.707 98 H LEU 15 HN LEU 15 20.907 0.426 0.623 99 HA LEU 15 HA LEU 15 23.062 2.277 -0.157 100 HB2 LEU 15 HB2 LEU 15 20.430 2.609 1.283 101 HB3 LEU 15 HB1 LEU 15 21.573 3.929 1.088 102 HG LEU 15 HG LEU 15 19.623 3.389 -0.671 103 HD11 LEU 15 HD11 LEU 15 20.896 4.721 -2.288 104 HD12 LEU 15 HD12 LEU 15 22.362 4.428 -1.353 105 HD13 LEU 15 HD13 LEU 15 21.042 5.366 -0.654 106 HD21 LEU 15 HD21 LEU 15 20.566 2.346 -2.680 107 HD22 LEU 15 HD22 LEU 15 20.534 1.205 -1.343 108 HD23 LEU 15 HD23 LEU 15 22.046 1.984 -1.801 109 H ALA 16 HN ALA 16 21.641 1.006 2.877 110 HA ALA 16 HA ALA 16 23.396 2.412 4.640 111 HB1 ALA 16 HB1 ALA 16 21.349 1.360 5.447 112 HB2 ALA 16 HB2 ALA 16 22.735 0.699 6.317 113 HB3 ALA 16 HB3 ALA 16 21.977 -0.235 5.028 114 H ASN 17 HN ASN 17 23.819 -0.733 3.008 115 HA ASN 17 HA ASN 17 26.103 -1.555 4.517 116 HB2 ASN 17 HB2 ASN 17 26.676 -2.938 2.477 117 HB3 ASN 17 HB1 ASN 17 25.056 -3.184 3.113 118 HD21 ASN 17 HD21 ASN 17 26.034 -0.353 1.157 119 HD22 ASN 17 HD22 ASN 17 25.012 -0.728 -0.157 120 H TYR 18 HN TYR 18 25.833 1.128 2.467 121 HA TYR 18 HA TYR 18 28.591 1.056 1.487 122 HB2 TYR 18 HB2 TYR 18 26.366 3.105 1.421 123 HB3 TYR 18 HB1 TYR 18 27.997 3.513 0.902 124 HD1 TYR 18 HD1 TYR 18 28.963 1.144 -0.453 125 HD2 TYR 18 HD2 TYR 18 25.021 2.857 -0.509 126 HE1 TYR 18 HE1 TYR 18 28.541 0.106 -2.659 127 HE2 TYR 18 HE2 TYR 18 24.608 1.807 -2.721 128 HH TYR 18 HH TYR 18 26.921 0.737 -4.691 129 HN1 NH2 19 H1 NH2 19 28.448 0.778 4.354 130 HN2 NH2 19 H2 NH2 19 29.196 2.158 5.041 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 3.201 4.447 1.586 2 H2 GLY 1 HT2 GLY 1 1.631 5.104 1.544 3 H3 GLY 1 HT3 GLY 1 2.611 5.130 0.146 4 HA2 GLY 1 HA1 GLY 1 0.852 3.088 1.065 5 HA3 GLY 1 HA2 GLY 1 1.706 3.207 -0.474 6 H GLU 2 HN GLU 2 1.569 0.702 0.509 7 HA GLU 2 HA GLU 2 3.631 -0.018 2.379 8 HB2 GLU 2 HB2 GLU 2 1.697 -1.463 1.841 9 HB3 GLU 2 HB1 GLU 2 2.329 -1.687 0.208 10 HG2 GLU 2 HG2 GLU 2 4.429 -2.632 1.215 11 HG3 GLU 2 HG1 GLU 2 3.656 -2.540 2.798 12 H CGU 3 HN GLA 3 3.538 -0.429 -1.183 13 HA CGU 3 HA GLA 3 6.133 -1.372 -1.607 14 HB2 CGU 3 HB1 GLA 3 4.586 0.656 -3.292 15 HB3 CGU 3 HB2 GLA 3 4.454 -1.097 -3.457 16 HG CGU 3 HG GLA 3 6.970 0.556 -3.918 17 H CGU 4 HN GLA 4 5.122 1.908 -0.844 18 HA CGU 4 HA GLA 4 7.554 3.263 -1.465 19 HB2 CGU 4 HB1 GLA 4 6.585 4.633 0.703 20 HB3 CGU 4 HB2 GLA 4 5.139 3.781 0.153 21 HG CGU 4 HG GLA 4 5.729 4.615 -2.201 22 H LEU 5 HN LEU 5 6.609 1.258 1.257 23 HA LEU 5 HA LEU 5 8.980 2.010 2.825 24 HB2 LEU 5 HB2 LEU 5 6.700 0.062 3.209 25 HB3 LEU 5 HB1 LEU 5 8.108 0.063 4.273 26 HG LEU 5 HG LEU 5 7.613 2.672 4.363 27 HD11 LEU 5 HD11 LEU 5 5.778 2.898 2.910 28 HD12 LEU 5 HD12 LEU 5 5.025 2.851 4.505 29 HD13 LEU 5 HD13 LEU 5 5.021 1.408 3.487 30 HD21 LEU 5 HD21 LEU 5 6.293 0.426 5.878 31 HD22 LEU 5 HD22 LEU 5 5.998 2.108 6.318 32 HD23 LEU 5 HD23 LEU 5 7.635 1.455 6.382 33 H ALA 6 HN ALA 6 7.766 -0.808 1.017 34 HA ALA 6 HA ALA 6 9.907 -2.588 1.488 35 HB1 ALA 6 HB1 ALA 6 8.360 -2.229 -1.101 36 HB2 ALA 6 HB2 ALA 6 7.830 -3.205 0.269 37 HB3 ALA 6 HB3 ALA 6 9.274 -3.662 -0.633 38 H CGU 7 HN GLA 7 9.561 -0.188 -1.143 39 HA CGU 7 HA GLA 7 12.090 -0.629 -2.356 40 HB2 CGU 7 HB1 GLA 7 11.815 1.741 -3.165 41 HB3 CGU 7 HB2 GLA 7 10.402 1.890 -2.117 42 HG CGU 7 HG GLA 7 9.552 -0.271 -3.346 43 H LYS 8 HN LYS 8 11.109 1.706 0.159 44 HA LYS 8 HA LYS 8 13.696 2.811 0.650 45 HB2 LYS 8 HB2 LYS 8 11.069 2.805 1.938 46 HB3 LYS 8 HB1 LYS 8 12.393 2.851 3.099 47 HG2 LYS 8 HG2 LYS 8 11.739 5.136 2.457 48 HG3 LYS 8 HG1 LYS 8 13.375 4.784 1.906 49 HD2 LYS 8 HD2 LYS 8 12.773 5.224 -0.222 50 HD3 LYS 8 HD1 LYS 8 11.538 3.966 -0.148 51 HE2 LYS 8 HE2 LYS 8 11.146 6.772 0.924 52 HE3 LYS 8 HE1 LYS 8 10.656 6.265 -0.694 53 HZ1 LYS 8 HZ1 LYS 8 9.563 4.321 0.769 54 HZ2 LYS 8 HZ2 LYS 8 8.745 5.772 0.355 55 HZ3 LYS 8 HZ3 LYS 8 9.487 5.608 1.887 56 H ALA 9 HN ALA 9 11.953 0.103 2.159 57 HA ALA 9 HA ALA 9 13.897 -0.640 4.074 58 HB1 ALA 9 HB1 ALA 9 11.578 -1.592 3.862 59 HB2 ALA 9 HB2 ALA 9 12.826 -2.819 4.079 60 HB3 ALA 9 HB3 ALA 9 12.141 -2.531 2.480 61 H CGU 10 HN GLA 10 13.573 -1.784 0.675 62 HA CGU 10 HA GLA 10 15.966 -3.386 0.868 63 HB2 CGU 10 HB1 GLA 10 14.253 -2.469 -1.453 64 HB3 CGU 10 HB2 GLA 10 14.431 -4.096 -0.795 65 HG CGU 10 HG GLA 10 16.806 -2.632 -1.863 66 H PHE 11 HN PHE 11 15.298 -0.139 -0.566 67 HA PHE 11 HA PHE 11 17.982 0.292 -1.493 68 HB2 PHE 11 HB2 PHE 11 16.594 1.867 -2.393 69 HB3 PHE 11 HB1 PHE 11 15.588 1.954 -0.967 70 HD1 PHE 11 HD1 PHE 11 16.900 3.027 1.199 71 HD2 PHE 11 HD2 PHE 11 17.885 3.710 -2.931 72 HE1 PHE 11 HE1 PHE 11 17.925 5.193 1.802 73 HE2 PHE 11 HE2 PHE 11 18.907 5.881 -2.321 74 HZ PHE 11 HZ PHE 11 18.931 6.622 0.045 75 H ALA 12 HN ALA 12 16.395 0.886 1.620 76 HA ALA 12 HA ALA 12 18.492 2.274 2.893 77 HB1 ALA 12 HB1 ALA 12 16.515 0.248 3.976 78 HB2 ALA 12 HB2 ALA 12 16.391 2.006 4.035 79 HB3 ALA 12 HB3 ALA 12 17.603 1.175 5.008 80 H ARG 13 HN ARG 13 18.120 -1.232 2.310 81 HA ARG 13 HA ARG 13 20.436 -1.961 3.893 82 HB2 ARG 13 HB2 ARG 13 18.549 -3.509 3.164 83 HB3 ARG 13 HB1 ARG 13 19.302 -3.537 1.572 84 HG2 ARG 13 HG2 ARG 13 21.149 -4.027 3.834 85 HG3 ARG 13 HG1 ARG 13 19.932 -5.277 3.583 86 HD2 ARG 13 HD2 ARG 13 20.601 -5.466 1.216 87 HD3 ARG 13 HD1 ARG 13 21.813 -4.206 1.454 88 HE ARG 13 HE ARG 13 22.014 -6.991 2.390 89 HH11 ARG 13 HH11 ARG 13 24.366 -5.991 1.192 90 HH12 ARG 13 HH12 ARG 13 25.335 -5.406 2.517 91 HH21 ARG 13 HH21 ARG 13 22.702 -5.278 4.710 92 HH22 ARG 13 HH22 ARG 13 24.398 -5.017 4.479 93 H CGU 14 HN GLA 14 20.084 -2.022 0.297 94 HA CGU 14 HA GLA 14 22.837 -2.289 -0.270 95 HB2 CGU 14 HB1 GLA 14 22.223 -1.142 -2.460 96 HB3 CGU 14 HB2 GLA 14 20.607 -0.919 -1.800 97 HG CGU 14 HG GLA 14 21.786 -3.663 -1.659 98 H LEU 15 HN LEU 15 20.935 0.538 0.579 99 HA LEU 15 HA LEU 15 23.070 2.440 -0.027 100 HB2 LEU 15 HB2 LEU 15 20.423 2.657 1.413 101 HB3 LEU 15 HB1 LEU 15 21.522 4.017 1.228 102 HG LEU 15 HG LEU 15 19.582 3.429 -0.526 103 HD11 LEU 15 HD11 LEU 15 20.791 4.828 -2.132 104 HD12 LEU 15 HD12 LEU 15 22.275 4.578 -1.215 105 HD13 LEU 15 HD13 LEU 15 20.929 5.457 -0.491 106 HD21 LEU 15 HD21 LEU 15 22.046 2.114 -1.679 107 HD22 LEU 15 HD22 LEU 15 20.557 2.450 -2.556 108 HD23 LEU 15 HD23 LEU 15 20.552 1.288 -1.236 109 H ALA 16 HN ALA 16 21.528 1.318 3.028 110 HA ALA 16 HA ALA 16 23.394 2.577 4.771 111 HB1 ALA 16 HB1 ALA 16 22.641 0.942 6.455 112 HB2 ALA 16 HB2 ALA 16 21.926 -0.052 5.185 113 HB3 ALA 16 HB3 ALA 16 21.264 1.546 5.532 114 H ASN 17 HN ASN 17 23.598 -0.369 2.886 115 HA ASN 17 HA ASN 17 26.144 -1.152 4.215 116 HB2 ASN 17 HB2 ASN 17 24.324 -2.831 3.479 117 HB3 ASN 17 HB1 ASN 17 24.858 -2.511 1.829 118 HD21 ASN 17 HD21 ASN 17 27.722 -2.243 2.481 119 HD22 ASN 17 HD22 ASN 17 28.261 -3.804 2.930 120 H TYR 18 HN TYR 18 25.201 0.970 1.851 121 HA TYR 18 HA TYR 18 27.091 0.506 -0.240 122 HB2 TYR 18 HB2 TYR 18 25.073 2.112 -0.201 123 HB3 TYR 18 HB1 TYR 18 26.140 3.244 0.624 124 HD1 TYR 18 HD1 TYR 18 25.803 1.175 -2.466 125 HD2 TYR 18 HD2 TYR 18 27.738 4.525 -0.595 126 HE1 TYR 18 HE1 TYR 18 26.806 1.813 -4.639 127 HE2 TYR 18 HE2 TYR 18 28.740 5.153 -2.774 128 HH TYR 18 HH TYR 18 27.986 4.698 -5.326 129 HN1 NH2 19 H1 NH2 19 27.382 2.436 2.779 130 HN2 NH2 19 H2 NH2 19 29.075 2.665 2.647 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 0.841 0.870 -0.482 2 H2 GLY 1 HT2 GLY 1 1.729 1.718 -1.666 3 H3 GLY 1 HT3 GLY 1 0.390 2.455 -0.919 4 HA2 GLY 1 HA1 GLY 1 2.544 3.292 -0.059 5 HA3 GLY 1 HA2 GLY 1 1.530 2.556 1.186 6 H GLU 2 HN GLU 2 1.853 -0.078 0.820 7 HA GLU 2 HA GLU 2 4.100 -0.928 2.137 8 HB2 GLU 2 HB2 GLU 2 3.762 -3.118 1.003 9 HB3 GLU 2 HB1 GLU 2 2.241 -2.405 1.530 10 HG2 GLU 2 HG2 GLU 2 3.341 -2.622 -1.279 11 HG3 GLU 2 HG1 GLU 2 1.776 -3.144 -0.672 12 H CGU 3 HN GLA 3 3.875 -0.654 -1.430 13 HA CGU 3 HA GLA 3 6.548 -1.470 -1.986 14 HB2 CGU 3 HB1 GLA 3 4.771 0.513 -3.488 15 HB3 CGU 3 HB2 GLA 3 4.825 -1.227 -3.794 16 HG CGU 3 HG GLA 3 7.150 0.709 -4.097 17 H CGU 4 HN GLA 4 5.223 1.744 -1.225 18 HA CGU 4 HA GLA 4 7.643 3.208 -1.631 19 HB2 CGU 4 HB1 GLA 4 6.188 4.300 0.600 20 HB3 CGU 4 HB2 GLA 4 5.029 3.740 -0.611 21 HG CGU 4 HG GLA 4 6.259 5.021 -2.351 22 H LEU 5 HN LEU 5 6.292 1.628 1.272 23 HA LEU 5 HA LEU 5 8.544 2.227 2.964 24 HB2 LEU 5 HB2 LEU 5 6.321 0.185 3.035 25 HB3 LEU 5 HB1 LEU 5 7.638 0.114 4.205 26 HG LEU 5 HG LEU 5 7.096 2.685 4.515 27 HD11 LEU 5 HD11 LEU 5 5.413 3.201 3.025 28 HD12 LEU 5 HD12 LEU 5 4.426 2.697 4.396 29 HD13 LEU 5 HD13 LEU 5 4.728 1.577 3.069 30 HD21 LEU 5 HD21 LEU 5 6.890 0.925 6.249 31 HD22 LEU 5 HD22 LEU 5 5.302 0.498 5.611 32 HD23 LEU 5 HD23 LEU 5 5.562 2.083 6.341 33 H ALA 6 HN ALA 6 7.635 -0.622 1.016 34 HA ALA 6 HA ALA 6 9.870 -2.260 1.568 35 HB1 ALA 6 HB1 ALA 6 9.423 -3.312 -0.612 36 HB2 ALA 6 HB2 ALA 6 8.439 -1.927 -1.090 37 HB3 ALA 6 HB3 ALA 6 7.906 -2.975 0.224 38 H CGU 7 HN GLA 7 9.506 0.191 -1.026 39 HA CGU 7 HA GLA 7 12.124 -0.044 -2.105 40 HB2 CGU 7 HB1 GLA 7 11.749 2.353 -2.824 41 HB3 CGU 7 HB2 GLA 7 10.255 2.343 -1.888 42 HG CGU 7 HG GLA 7 9.700 0.174 -3.300 43 H LYS 8 HN LYS 8 10.922 2.373 0.261 44 HA LYS 8 HA LYS 8 13.432 3.502 0.929 45 HB2 LYS 8 HB2 LYS 8 11.026 3.130 2.736 46 HB3 LYS 8 HB1 LYS 8 12.331 4.294 2.969 47 HG2 LYS 8 HG2 LYS 8 10.596 4.239 0.486 48 HG3 LYS 8 HG1 LYS 8 10.232 5.238 1.893 49 HD2 LYS 8 HD2 LYS 8 12.064 6.617 1.558 50 HD3 LYS 8 HD1 LYS 8 12.984 5.380 0.711 51 HE2 LYS 8 HE2 LYS 8 12.241 7.118 -0.860 52 HE3 LYS 8 HE1 LYS 8 11.461 5.579 -1.229 53 HZ1 LYS 8 HZ1 LYS 8 9.556 6.354 0.174 54 HZ2 LYS 8 HZ2 LYS 8 9.784 7.227 -1.269 55 HZ3 LYS 8 HZ3 LYS 8 10.289 7.892 0.216 56 H ALA 9 HN ALA 9 11.690 0.765 2.413 57 HA ALA 9 HA ALA 9 13.635 0.261 4.460 58 HB1 ALA 9 HB1 ALA 9 12.434 -1.716 4.884 59 HB2 ALA 9 HB2 ALA 9 11.980 -1.914 3.190 60 HB3 ALA 9 HB3 ALA 9 11.216 -0.662 4.168 61 H CGU 10 HN GLA 10 13.374 -0.932 1.104 62 HA CGU 10 HA GLA 10 15.643 -2.722 1.472 63 HB2 CGU 10 HB1 GLA 10 13.960 -1.906 -0.897 64 HB3 CGU 10 HB2 GLA 10 13.985 -3.459 -0.062 65 HG CGU 10 HG GLA 10 16.342 -2.292 -1.534 66 H PHE 11 HN PHE 11 15.113 0.482 -0.026 67 HA PHE 11 HA PHE 11 17.658 0.770 -1.262 68 HB2 PHE 11 HB2 PHE 11 16.504 2.622 -1.830 69 HB3 PHE 11 HB1 PHE 11 15.493 2.521 -0.407 70 HD1 PHE 11 HD1 PHE 11 16.706 3.201 1.876 71 HD2 PHE 11 HD2 PHE 11 18.000 4.391 -2.040 72 HE1 PHE 11 HE1 PHE 11 17.856 5.161 2.860 73 HE2 PHE 11 HE2 PHE 11 19.145 6.359 -1.054 74 HZ PHE 11 HZ PHE 11 19.081 6.740 1.393 75 H ALA 12 HN ALA 12 16.606 1.276 2.062 76 HA ALA 12 HA ALA 12 19.081 2.227 3.108 77 HB1 ALA 12 HB1 ALA 12 18.121 0.893 5.222 78 HB2 ALA 12 HB2 ALA 12 16.666 0.854 4.226 79 HB3 ALA 12 HB3 ALA 12 17.383 2.399 4.679 80 H ARG 13 HN ARG 13 17.798 -1.081 2.674 81 HA ARG 13 HA ARG 13 20.069 -2.421 3.798 82 HB2 ARG 13 HB2 ARG 13 17.872 -3.208 1.904 83 HB3 ARG 13 HB1 ARG 13 19.232 -4.302 2.153 84 HG2 ARG 13 HG2 ARG 13 18.823 -4.352 4.550 85 HG3 ARG 13 HG1 ARG 13 17.560 -3.130 4.396 86 HD2 ARG 13 HD2 ARG 13 17.170 -5.471 2.648 87 HD3 ARG 13 HD1 ARG 13 17.120 -5.849 4.372 88 HE ARG 13 HE ARG 13 15.087 -4.399 2.915 89 HH11 ARG 13 HH11 ARG 13 15.328 -2.154 4.418 90 HH12 ARG 13 HH12 ARG 13 14.690 -2.525 5.995 91 HH21 ARG 13 HH21 ARG 13 14.883 -5.938 5.542 92 HH22 ARG 13 HH22 ARG 13 14.437 -4.666 6.625 93 H CGU 14 HN GLA 14 19.283 -1.718 0.362 94 HA CGU 14 HA GLA 14 21.793 -2.710 -0.612 95 HB2 CGU 14 HB1 GLA 14 21.196 -1.621 -2.710 96 HB3 CGU 14 HB2 GLA 14 19.954 -0.665 -1.916 97 HG CGU 14 HG GLA 14 19.063 -3.063 -1.159 98 H LEU 15 HN LEU 15 20.704 0.631 0.197 99 HA LEU 15 HA LEU 15 23.290 1.721 -0.535 100 HB2 LEU 15 HB2 LEU 15 20.770 2.796 0.723 101 HB3 LEU 15 HB1 LEU 15 22.236 3.774 0.725 102 HG LEU 15 HG LEU 15 22.338 3.155 -1.824 103 HD11 LEU 15 HD11 LEU 15 20.026 2.929 -2.772 104 HD12 LEU 15 HD12 LEU 15 19.442 2.645 -1.134 105 HD13 LEU 15 HD13 LEU 15 20.572 1.514 -1.874 106 HD21 LEU 15 HD21 LEU 15 20.877 5.213 -0.336 107 HD22 LEU 15 HD22 LEU 15 20.298 4.990 -1.988 108 HD23 LEU 15 HD23 LEU 15 21.989 5.382 -1.693 109 H ALA 16 HN ALA 16 21.850 0.545 2.476 110 HA ALA 16 HA ALA 16 24.061 1.622 4.088 111 HB1 ALA 16 HB1 ALA 16 21.753 1.151 5.020 112 HB2 ALA 16 HB2 ALA 16 23.070 0.420 5.938 113 HB3 ALA 16 HB3 ALA 16 22.103 -0.570 4.845 114 H ASN 17 HN ASN 17 23.303 -1.310 2.326 115 HA ASN 17 HA ASN 17 25.371 -2.950 3.527 116 HB2 ASN 17 HB2 ASN 17 23.512 -4.003 2.328 117 HB3 ASN 17 HB1 ASN 17 23.973 -3.184 0.838 118 HD21 ASN 17 HD21 ASN 17 26.894 -3.941 2.234 119 HD22 ASN 17 HD22 ASN 17 27.135 -5.480 1.539 120 H TYR 18 HN TYR 18 25.292 -0.735 0.734 121 HA TYR 18 HA TYR 18 27.995 -1.416 -0.110 122 HB2 TYR 18 HB2 TYR 18 26.419 1.096 -0.744 123 HB3 TYR 18 HB1 TYR 18 27.763 0.426 -1.654 124 HD1 TYR 18 HD1 TYR 18 26.830 -2.546 -1.393 125 HD2 TYR 18 HD2 TYR 18 24.823 1.074 -2.561 126 HE1 TYR 18 HE1 TYR 18 25.226 -3.864 -2.752 127 HE2 TYR 18 HE2 TYR 18 23.225 -0.253 -3.914 128 HH TYR 18 HH TYR 18 22.564 -3.250 -3.570 129 HN1 NH2 19 H1 NH2 19 27.587 -0.557 2.777 130 HN2 NH2 19 H2 NH2 19 28.622 0.788 2.987 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 2.899 3.562 -0.332 2 H2 GLY 1 HT2 GLY 1 3.048 4.013 1.303 3 H3 GLY 1 HT3 GLY 1 1.595 4.298 0.471 4 HA2 GLY 1 HA1 GLY 1 1.319 2.395 1.905 5 HA3 GLY 1 HA2 GLY 1 1.272 1.890 0.216 6 H GLU 2 HN GLU 2 2.050 -0.236 0.689 7 HA GLU 2 HA GLU 2 4.420 -0.741 2.239 8 HB2 GLU 2 HB2 GLU 2 2.677 -2.449 1.774 9 HB3 GLU 2 HB1 GLU 2 3.164 -2.457 0.079 10 HG2 GLU 2 HG2 GLU 2 5.468 -3.117 0.779 11 HG3 GLU 2 HG1 GLU 2 4.907 -3.202 2.449 12 H CGU 3 HN GLA 3 3.954 -0.883 -1.326 13 HA CGU 3 HA GLA 3 6.588 -1.366 -2.091 14 HB2 CGU 3 HB1 GLA 3 4.674 0.609 -3.425 15 HB3 CGU 3 HB2 GLA 3 4.696 -1.129 -3.749 16 HG CGU 3 HG GLA 3 7.006 0.798 -4.192 17 H CGU 4 HN GLA 4 5.179 1.820 -1.301 18 HA CGU 4 HA GLA 4 7.482 3.384 -1.796 19 HB2 CGU 4 HB1 GLA 4 6.466 4.921 -0.030 20 HB3 CGU 4 HB2 GLA 4 5.224 3.685 0.191 21 HG CGU 4 HG GLA 4 5.869 4.914 -2.532 22 H LEU 5 HN LEU 5 6.399 2.073 1.387 23 HA LEU 5 HA LEU 5 8.890 2.721 2.658 24 HB2 LEU 5 HB2 LEU 5 8.097 1.495 4.517 25 HB3 LEU 5 HB1 LEU 5 6.696 2.306 3.839 26 HG LEU 5 HG LEU 5 6.375 0.071 2.539 27 HD11 LEU 5 HD11 LEU 5 7.437 -1.429 4.766 28 HD12 LEU 5 HD12 LEU 5 8.723 -0.511 3.988 29 HD13 LEU 5 HD13 LEU 5 7.749 -1.640 3.045 30 HD21 LEU 5 HD21 LEU 5 4.791 0.783 4.203 31 HD22 LEU 5 HD22 LEU 5 5.916 0.406 5.507 32 HD23 LEU 5 HD23 LEU 5 5.196 -0.895 4.560 33 H ALA 6 HN ALA 6 7.642 -0.221 1.159 34 HA ALA 6 HA ALA 6 9.801 -1.962 1.745 35 HB1 ALA 6 HB1 ALA 6 7.540 -2.078 0.099 36 HB2 ALA 6 HB2 ALA 6 8.703 -3.372 0.355 37 HB3 ALA 6 HB3 ALA 6 8.892 -2.277 -1.013 38 H CGU 7 HN GLA 7 9.412 0.209 -1.100 39 HA CGU 7 HA GLA 7 11.920 -0.258 -2.320 40 HB2 CGU 7 HB1 GLA 7 11.697 2.198 -3.043 41 HB3 CGU 7 HB2 GLA 7 10.224 2.253 -2.080 42 HG CGU 7 HG GLA 7 9.545 0.114 -3.494 43 H LYS 8 HN LYS 8 11.038 2.120 0.190 44 HA LYS 8 HA LYS 8 13.678 3.143 0.612 45 HB2 LYS 8 HB2 LYS 8 11.443 4.097 1.423 46 HB3 LYS 8 HB1 LYS 8 11.544 2.922 2.732 47 HG2 LYS 8 HG2 LYS 8 12.776 4.461 3.844 48 HG3 LYS 8 HG1 LYS 8 14.074 4.084 2.711 49 HD2 LYS 8 HD2 LYS 8 11.932 6.117 2.045 50 HD3 LYS 8 HD1 LYS 8 13.389 6.569 2.931 51 HE2 LYS 8 HE2 LYS 8 13.498 5.094 0.291 52 HE3 LYS 8 HE1 LYS 8 13.471 6.856 0.384 53 HZ1 LYS 8 HZ1 LYS 8 15.708 5.369 0.497 54 HZ2 LYS 8 HZ2 LYS 8 15.372 5.575 2.151 55 HZ3 LYS 8 HZ3 LYS 8 15.567 6.931 1.146 56 H ALA 9 HN ALA 9 11.823 0.567 2.216 57 HA ALA 9 HA ALA 9 13.786 -0.191 4.132 58 HB1 ALA 9 HB1 ALA 9 12.036 -2.243 2.801 59 HB2 ALA 9 HB2 ALA 9 11.296 -0.976 3.777 60 HB3 ALA 9 HB3 ALA 9 12.460 -2.080 4.506 61 H CGU 10 HN GLA 10 13.354 -1.202 0.728 62 HA CGU 10 HA GLA 10 15.560 -3.089 0.921 63 HB2 CGU 10 HB1 GLA 10 13.889 -2.062 -1.381 64 HB3 CGU 10 HB2 GLA 10 13.948 -3.690 -0.705 65 HG CGU 10 HG GLA 10 16.385 -2.400 -1.872 66 H PHE 11 HN PHE 11 15.143 0.178 -0.520 67 HA PHE 11 HA PHE 11 17.838 0.396 -1.492 68 HB2 PHE 11 HB2 PHE 11 16.606 2.098 -2.370 69 HB3 PHE 11 HB1 PHE 11 15.559 2.198 -0.976 70 HD1 PHE 11 HD1 PHE 11 17.968 3.903 -2.823 71 HD2 PHE 11 HD2 PHE 11 16.873 3.125 1.260 72 HE1 PHE 11 HE1 PHE 11 19.076 6.006 -2.118 73 HE2 PHE 11 HE2 PHE 11 18.001 5.208 1.963 74 HZ PHE 11 HZ PHE 11 19.099 6.654 0.276 75 H ALA 12 HN ALA 12 16.346 1.107 1.648 76 HA ALA 12 HA ALA 12 18.592 2.288 2.899 77 HB1 ALA 12 HB1 ALA 12 16.412 2.199 3.999 78 HB2 ALA 12 HB2 ALA 12 17.608 1.405 5.024 79 HB3 ALA 12 HB3 ALA 12 16.487 0.438 4.065 80 H ARG 13 HN ARG 13 17.811 -1.148 2.340 81 HA ARG 13 HA ARG 13 20.015 -2.172 3.899 82 HB2 ARG 13 HB2 ARG 13 18.310 -3.314 1.685 83 HB3 ARG 13 HB1 ARG 13 19.650 -4.230 2.376 84 HG2 ARG 13 HG2 ARG 13 18.655 -4.321 4.507 85 HG3 ARG 13 HG1 ARG 13 17.580 -2.965 4.165 86 HD2 ARG 13 HD2 ARG 13 17.313 -5.357 2.411 87 HD3 ARG 13 HD1 ARG 13 16.743 -5.522 4.075 88 HE ARG 13 HE ARG 13 15.737 -3.056 2.971 89 HH11 ARG 13 HH11 ARG 13 13.766 -4.366 4.352 90 HH12 ARG 13 HH12 ARG 13 12.840 -5.253 3.193 91 HH21 ARG 13 HH21 ARG 13 15.300 -5.111 0.766 92 HH22 ARG 13 HH22 ARG 13 13.708 -5.679 1.168 93 H CGU 14 HN GLA 14 19.697 -2.106 0.312 94 HA CGU 14 HA GLA 14 22.435 -2.606 -0.198 95 HB2 CGU 14 HB1 GLA 14 21.950 -1.514 -2.431 96 HB3 CGU 14 HB2 GLA 14 20.354 -1.104 -1.817 97 HG CGU 14 HG GLA 14 21.268 -3.943 -1.550 98 H LEU 15 HN LEU 15 20.705 0.422 0.438 99 HA LEU 15 HA LEU 15 22.978 2.125 -0.110 100 HB2 LEU 15 HB2 LEU 15 20.413 2.523 1.432 101 HB3 LEU 15 HB1 LEU 15 21.617 3.793 1.245 102 HG LEU 15 HG LEU 15 19.585 3.404 -0.470 103 HD11 LEU 15 HD11 LEU 15 20.917 4.713 -2.103 104 HD12 LEU 15 HD12 LEU 15 22.345 4.402 -1.118 105 HD13 LEU 15 HD13 LEU 15 21.009 5.343 -0.459 106 HD21 LEU 15 HD21 LEU 15 20.462 2.428 -2.563 107 HD22 LEU 15 HD22 LEU 15 20.357 1.225 -1.286 108 HD23 LEU 15 HD23 LEU 15 21.916 1.927 -1.708 109 H ALA 16 HN ALA 16 21.569 0.753 2.886 110 HA ALA 16 HA ALA 16 23.450 1.877 4.703 111 HB1 ALA 16 HB1 ALA 16 21.452 0.680 5.489 112 HB2 ALA 16 HB2 ALA 16 22.899 -0.071 6.162 113 HB3 ALA 16 HB3 ALA 16 22.064 -0.826 4.804 114 H ASN 17 HN ASN 17 23.605 -1.048 2.676 115 HA ASN 17 HA ASN 17 26.300 -1.702 3.680 116 HB2 ASN 17 HB2 ASN 17 24.696 -3.480 2.824 117 HB3 ASN 17 HB1 ASN 17 24.950 -2.833 1.203 118 HD21 ASN 17 HD21 ASN 17 27.881 -2.199 1.952 119 HD22 ASN 17 HD22 ASN 17 28.649 -3.723 1.877 120 H TYR 18 HN TYR 18 24.853 -0.097 0.870 121 HA TYR 18 HA TYR 18 27.301 0.201 -0.622 122 HB2 TYR 18 HB2 TYR 18 25.087 0.547 -1.658 123 HB3 TYR 18 HB1 TYR 18 24.809 1.934 -0.605 124 HD1 TYR 18 HD1 TYR 18 26.031 4.035 -0.917 125 HD2 TYR 18 HD2 TYR 18 26.701 0.673 -3.503 126 HE1 TYR 18 HE1 TYR 18 27.229 5.502 -2.518 127 HE2 TYR 18 HE2 TYR 18 27.896 2.144 -5.102 128 HH TYR 18 HH TYR 18 29.245 4.706 -4.569 129 HN1 NH2 19 H1 NH2 19 25.637 2.390 1.728 130 HN2 NH2 19 H2 NH2 19 27.018 3.372 1.999 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 0.985 4.406 0.588 2 H2 GLY 1 HT2 GLY 1 2.370 4.142 -0.365 3 H3 GLY 1 HT3 GLY 1 2.442 3.937 1.324 4 HA2 GLY 1 HA1 GLY 1 0.595 2.182 0.928 5 HA3 GLY 1 HA2 GLY 1 1.228 2.201 -0.718 6 H GLU 2 HN GLU 2 1.466 -0.108 0.727 7 HA GLU 2 HA GLU 2 3.707 -0.532 2.353 8 HB2 GLU 2 HB2 GLU 2 2.122 -2.305 1.927 9 HB3 GLU 2 HB1 GLU 2 2.496 -2.293 0.205 10 HG2 GLU 2 HG2 GLU 2 4.681 -2.809 2.216 11 HG3 GLU 2 HG1 GLU 2 3.601 -4.114 1.730 12 H CGU 3 HN GLA 3 3.602 -0.626 -1.213 13 HA CGU 3 HA GLA 3 6.194 -1.372 -1.838 14 HB2 CGU 3 HB1 GLA 3 4.593 0.889 -3.123 15 HB3 CGU 3 HB2 GLA 3 4.471 -0.815 -3.573 16 HG CGU 3 HG GLA 3 6.991 0.885 -3.765 17 H CGU 4 HN GLA 4 5.197 1.815 -0.595 18 HA CGU 4 HA GLA 4 7.626 3.204 -1.050 19 HB2 CGU 4 HB1 GLA 4 6.929 4.370 1.192 20 HB3 CGU 4 HB2 GLA 4 5.464 3.397 1.029 21 HG CGU 4 HG GLA 4 5.944 4.460 -1.536 22 H LEU 5 HN LEU 5 6.678 0.967 1.532 23 HA LEU 5 HA LEU 5 9.136 1.318 3.033 24 HB2 LEU 5 HB2 LEU 5 6.886 -0.697 3.081 25 HB3 LEU 5 HB1 LEU 5 8.332 -0.916 4.068 26 HG LEU 5 HG LEU 5 7.870 1.586 4.772 27 HD11 LEU 5 HD11 LEU 5 5.105 1.361 4.920 28 HD12 LEU 5 HD12 LEU 5 5.470 0.833 3.278 29 HD13 LEU 5 HD13 LEU 5 5.994 2.423 3.830 30 HD21 LEU 5 HD21 LEU 5 6.354 -0.846 5.738 31 HD22 LEU 5 HD22 LEU 5 6.366 0.692 6.604 32 HD23 LEU 5 HD23 LEU 5 7.869 -0.204 6.372 33 H ALA 6 HN ALA 6 7.907 -1.257 0.860 34 HA ALA 6 HA ALA 6 10.125 -2.957 0.857 35 HB1 ALA 6 HB1 ALA 6 8.368 -3.724 -0.479 36 HB2 ALA 6 HB2 ALA 6 9.524 -3.198 -1.704 37 HB3 ALA 6 HB3 ALA 6 8.161 -2.164 -1.277 38 H CGU 7 HN GLA 7 9.668 -0.020 -1.127 39 HA CGU 7 HA GLA 7 12.259 -0.154 -2.376 40 HB2 CGU 7 HB1 GLA 7 11.799 2.200 -2.987 41 HB3 CGU 7 HB2 GLA 7 10.414 2.211 -1.897 42 HG CGU 7 HG GLA 7 9.639 0.106 -3.302 43 H LYS 8 HN LYS 8 11.026 2.077 0.150 44 HA LYS 8 HA LYS 8 13.519 3.240 0.824 45 HB2 LYS 8 HB2 LYS 8 10.959 2.834 2.373 46 HB3 LYS 8 HB1 LYS 8 12.343 3.666 3.084 47 HG2 LYS 8 HG2 LYS 8 12.278 5.402 1.475 48 HG3 LYS 8 HG1 LYS 8 11.250 4.471 0.385 49 HD2 LYS 8 HD2 LYS 8 9.385 4.627 1.990 50 HD3 LYS 8 HD1 LYS 8 10.411 5.529 3.105 51 HE2 LYS 8 HE2 LYS 8 10.682 7.311 1.411 52 HE3 LYS 8 HE1 LYS 8 9.646 6.411 0.302 53 HZ1 LYS 8 HZ1 LYS 8 8.679 8.262 1.877 54 HZ2 LYS 8 HZ2 LYS 8 8.613 6.977 2.984 55 HZ3 LYS 8 HZ3 LYS 8 7.775 6.870 1.495 56 H ALA 9 HN ALA 9 11.920 0.358 2.213 57 HA ALA 9 HA ALA 9 14.000 -0.110 4.177 58 HB1 ALA 9 HB1 ALA 9 12.852 -2.109 4.678 59 HB2 ALA 9 HB2 ALA 9 12.231 -2.272 3.034 60 HB3 ALA 9 HB3 ALA 9 11.572 -1.039 4.108 61 H CGU 10 HN GLA 10 13.483 -1.183 0.831 62 HA CGU 10 HA GLA 10 15.687 -3.058 0.916 63 HB2 CGU 10 HB1 GLA 10 14.025 -1.882 -1.326 64 HB3 CGU 10 HB2 GLA 10 13.990 -3.530 -0.698 65 HG CGU 10 HG GLA 10 16.471 -2.333 -1.869 66 H PHE 11 HN PHE 11 15.257 0.293 -0.254 67 HA PHE 11 HA PHE 11 17.935 0.585 -1.296 68 HB2 PHE 11 HB2 PHE 11 16.758 2.384 -2.031 69 HB3 PHE 11 HB1 PHE 11 15.618 2.293 -0.700 70 HD1 PHE 11 HD1 PHE 11 18.254 4.169 -2.133 71 HD2 PHE 11 HD2 PHE 11 16.573 3.049 1.653 72 HE1 PHE 11 HE1 PHE 11 19.257 6.183 -1.080 73 HE2 PHE 11 HE2 PHE 11 17.595 5.043 2.708 74 HZ PHE 11 HZ PHE 11 18.936 6.614 1.339 75 H ALA 12 HN ALA 12 16.467 1.054 1.881 76 HA ALA 12 HA ALA 12 18.706 2.197 3.205 77 HB1 ALA 12 HB1 ALA 12 17.640 0.899 5.235 78 HB2 ALA 12 HB2 ALA 12 16.353 0.542 4.082 79 HB3 ALA 12 HB3 ALA 12 16.743 2.216 4.477 80 H ARG 13 HN ARG 13 17.999 -1.132 2.269 81 HA ARG 13 HA ARG 13 20.152 -2.246 3.900 82 HB2 ARG 13 HB2 ARG 13 18.348 -3.301 1.735 83 HB3 ARG 13 HB1 ARG 13 19.742 -4.245 2.262 84 HG2 ARG 13 HG2 ARG 13 18.914 -4.507 4.437 85 HG3 ARG 13 HG1 ARG 13 17.856 -3.100 4.308 86 HD2 ARG 13 HD2 ARG 13 17.397 -5.415 2.459 87 HD3 ARG 13 HD1 ARG 13 16.857 -5.546 4.136 88 HE ARG 13 HE ARG 13 15.979 -3.021 3.060 89 HH11 ARG 13 HH11 ARG 13 13.989 -4.288 4.501 90 HH12 ARG 13 HH12 ARG 13 12.978 -5.078 3.344 91 HH21 ARG 13 HH21 ARG 13 15.346 -4.967 0.831 92 HH22 ARG 13 HH22 ARG 13 13.741 -5.464 1.274 93 H CGU 14 HN GLA 14 19.782 -2.097 0.332 94 HA CGU 14 HA GLA 14 22.467 -2.699 -0.264 95 HB2 CGU 14 HB1 GLA 14 21.937 -1.502 -2.461 96 HB3 CGU 14 HB2 GLA 14 20.355 -1.150 -1.776 97 HG CGU 14 HG GLA 14 21.308 -3.963 -1.564 98 H LEU 15 HN LEU 15 20.980 0.547 0.190 99 HA LEU 15 HA LEU 15 23.510 1.851 -0.349 100 HB2 LEU 15 HB2 LEU 15 20.818 2.767 0.664 101 HB3 LEU 15 HB1 LEU 15 22.199 3.864 0.675 102 HG LEU 15 HG LEU 15 22.497 3.056 -1.821 103 HD11 LEU 15 HD11 LEU 15 19.629 2.366 -1.182 104 HD12 LEU 15 HD12 LEU 15 20.855 1.330 -1.908 105 HD13 LEU 15 HD13 LEU 15 20.188 2.682 -2.823 106 HD21 LEU 15 HD21 LEU 15 20.960 5.165 -0.551 107 HD22 LEU 15 HD22 LEU 15 20.303 4.752 -2.136 108 HD23 LEU 15 HD23 LEU 15 21.988 5.237 -1.979 109 H ALA 16 HN ALA 16 21.945 0.638 2.568 110 HA ALA 16 HA ALA 16 23.913 1.994 4.291 111 HB1 ALA 16 HB1 ALA 16 21.586 1.451 5.097 112 HB2 ALA 16 HB2 ALA 16 22.863 0.814 6.134 113 HB3 ALA 16 HB3 ALA 16 22.015 -0.259 5.020 114 H ASN 17 HN ASN 17 23.409 -1.172 2.791 115 HA ASN 17 HA ASN 17 25.514 -2.521 4.236 116 HB2 ASN 17 HB2 ASN 17 23.883 -3.859 3.046 117 HB3 ASN 17 HB1 ASN 17 24.275 -3.074 1.519 118 HD21 ASN 17 HD21 ASN 17 26.982 -3.765 3.618 119 HD22 ASN 17 HD22 ASN 17 27.556 -5.116 2.754 120 H TYR 18 HN TYR 18 25.467 -0.605 1.234 121 HA TYR 18 HA TYR 18 28.208 -1.130 0.524 122 HB2 TYR 18 HB2 TYR 18 26.411 1.226 -0.141 123 HB3 TYR 18 HB1 TYR 18 27.953 0.884 -0.910 124 HD1 TYR 18 HD1 TYR 18 27.398 -2.284 -0.736 125 HD2 TYR 18 HD2 TYR 18 25.247 1.093 -2.324 126 HE1 TYR 18 HE1 TYR 18 26.255 -3.768 -2.361 127 HE2 TYR 18 HE2 TYR 18 24.107 -0.403 -3.943 128 HH TYR 18 HH TYR 18 23.528 -2.983 -3.994 129 HN1 NH2 19 H1 NH2 19 28.424 -0.711 3.229 130 HN2 NH2 19 H2 NH2 19 29.130 0.820 3.555 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 2.704 4.857 0.814 2 H2 GLY 1 HT2 GLY 1 2.649 3.954 2.258 3 H3 GLY 1 HT3 GLY 1 1.241 4.707 1.671 4 HA2 GLY 1 HA1 GLY 1 0.789 2.664 0.861 5 HA3 GLY 1 HA2 GLY 1 1.857 3.201 -0.434 6 H GLU 2 HN GLU 2 1.415 0.484 0.621 7 HA GLU 2 HA GLU 2 3.581 -0.423 2.246 8 HB2 GLU 2 HB2 GLU 2 3.003 -2.640 1.422 9 HB3 GLU 2 HB1 GLU 2 1.521 -1.728 1.696 10 HG2 GLU 2 HG2 GLU 2 2.868 -2.315 -0.958 11 HG3 GLU 2 HG1 GLU 2 1.256 -2.797 -0.437 12 H CGU 3 HN GLA 3 3.365 0.067 -1.271 13 HA CGU 3 HA GLA 3 5.796 -1.276 -1.957 14 HB2 CGU 3 HB1 GLA 3 4.545 1.169 -3.290 15 HB3 CGU 3 HB2 GLA 3 4.076 -0.499 -3.646 16 HG CGU 3 HG GLA 3 6.858 0.687 -3.990 17 H CGU 4 HN GLA 4 5.237 1.981 -0.693 18 HA CGU 4 HA GLA 4 7.744 3.132 -1.324 19 HB2 CGU 4 HB1 GLA 4 7.297 4.481 0.827 20 HB3 CGU 4 HB2 GLA 4 5.795 3.563 0.933 21 HG CGU 4 HG GLA 4 6.282 4.631 -1.759 22 H LEU 5 HN LEU 5 6.827 1.612 1.808 23 HA LEU 5 HA LEU 5 9.402 1.697 2.941 24 HB2 LEU 5 HB2 LEU 5 8.632 0.061 4.507 25 HB3 LEU 5 HB1 LEU 5 7.309 1.168 4.172 26 HG LEU 5 HG LEU 5 6.672 -0.604 2.349 27 HD11 LEU 5 HD11 LEU 5 8.943 -1.808 3.536 28 HD12 LEU 5 HD12 LEU 5 7.857 -2.510 2.337 29 HD13 LEU 5 HD13 LEU 5 7.543 -2.746 4.053 30 HD21 LEU 5 HD21 LEU 5 6.008 -0.228 5.115 31 HD22 LEU 5 HD22 LEU 5 5.961 -1.953 4.756 32 HD23 LEU 5 HD23 LEU 5 4.978 -0.831 3.818 33 H ALA 6 HN ALA 6 7.944 -0.907 1.020 34 HA ALA 6 HA ALA 6 10.032 -2.779 1.130 35 HB1 ALA 6 HB1 ALA 6 9.337 -3.389 -1.238 36 HB2 ALA 6 HB2 ALA 6 8.252 -1.999 -1.200 37 HB3 ALA 6 HB3 ALA 6 8.015 -3.334 -0.072 38 H CGU 7 HN GLA 7 9.685 -0.062 -1.162 39 HA CGU 7 HA GLA 7 12.258 -0.422 -2.395 40 HB2 CGU 7 HB1 GLA 7 11.851 1.794 -3.345 41 HB3 CGU 7 HB2 GLA 7 10.563 2.091 -2.177 42 HG CGU 7 HG GLA 7 9.534 -0.142 -3.172 43 H LYS 8 HN LYS 8 11.081 1.984 -0.013 44 HA LYS 8 HA LYS 8 13.561 3.246 0.520 45 HB2 LYS 8 HB2 LYS 8 11.125 2.793 2.257 46 HB3 LYS 8 HB1 LYS 8 12.488 3.794 2.761 47 HG2 LYS 8 HG2 LYS 8 12.127 5.367 1.027 48 HG3 LYS 8 HG1 LYS 8 11.100 4.255 0.117 49 HD2 LYS 8 HD2 LYS 8 9.383 4.381 1.873 50 HD3 LYS 8 HD1 LYS 8 10.408 5.462 2.816 51 HE2 LYS 8 HE2 LYS 8 10.376 7.076 0.892 52 HE3 LYS 8 HE1 LYS 8 9.216 6.020 0.080 53 HZ1 LYS 8 HZ1 LYS 8 7.559 6.803 1.330 54 HZ2 LYS 8 HZ2 LYS 8 8.639 7.996 1.904 55 HZ3 LYS 8 HZ3 LYS 8 8.437 6.547 2.769 56 H ALA 9 HN ALA 9 12.028 0.499 2.215 57 HA ALA 9 HA ALA 9 14.165 0.073 4.077 58 HB1 ALA 9 HB1 ALA 9 11.781 -0.890 4.135 59 HB2 ALA 9 HB2 ALA 9 13.084 -1.986 4.594 60 HB3 ALA 9 HB3 ALA 9 12.360 -2.097 2.988 61 H CGU 10 HN GLA 10 13.504 -1.332 0.851 62 HA CGU 10 HA GLA 10 15.763 -3.083 0.905 63 HB2 CGU 10 HB1 GLA 10 14.025 -1.963 -1.306 64 HB3 CGU 10 HB2 GLA 10 14.104 -3.616 -0.699 65 HG CGU 10 HG GLA 10 16.452 -2.258 -1.975 66 H PHE 11 HN PHE 11 15.313 0.236 -0.394 67 HA PHE 11 HA PHE 11 18.028 0.532 -1.337 68 HB2 PHE 11 HB2 PHE 11 16.812 2.248 -2.211 69 HB3 PHE 11 HB1 PHE 11 15.666 2.238 -0.886 70 HD1 PHE 11 HD1 PHE 11 16.675 3.138 1.440 71 HD2 PHE 11 HD2 PHE 11 18.223 4.076 -2.452 72 HE1 PHE 11 HE1 PHE 11 17.673 5.212 2.346 73 HE2 PHE 11 HE2 PHE 11 19.216 6.161 -1.544 74 HZ PHE 11 HZ PHE 11 18.948 6.725 0.854 75 H ALA 12 HN ALA 12 16.392 1.152 1.744 76 HA ALA 12 HA ALA 12 18.601 2.324 3.115 77 HB1 ALA 12 HB1 ALA 12 16.536 2.463 4.245 78 HB2 ALA 12 HB2 ALA 12 17.408 1.240 5.169 79 HB3 ALA 12 HB3 ALA 12 16.182 0.755 3.998 80 H ARG 13 HN ARG 13 18.028 -0.907 2.027 81 HA ARG 13 HA ARG 13 19.952 -2.109 3.909 82 HB2 ARG 13 HB2 ARG 13 18.345 -3.163 1.574 83 HB3 ARG 13 HB1 ARG 13 19.604 -4.132 2.332 84 HG2 ARG 13 HG2 ARG 13 17.357 -2.859 3.910 85 HG3 ARG 13 HG1 ARG 13 17.240 -4.480 3.230 86 HD2 ARG 13 HD2 ARG 13 18.419 -5.323 4.946 87 HD3 ARG 13 HD1 ARG 13 19.757 -4.228 4.597 88 HE ARG 13 HE ARG 13 17.731 -3.851 6.673 89 HH11 ARG 13 HH11 ARG 13 17.703 -1.382 4.985 90 HH12 ARG 13 HH12 ARG 13 18.918 -0.413 5.749 91 HH21 ARG 13 HH21 ARG 13 20.268 -3.062 7.497 92 HH22 ARG 13 HH22 ARG 13 20.358 -1.363 7.186 93 H CGU 14 HN GLA 14 19.802 -1.969 0.325 94 HA CGU 14 HA GLA 14 22.530 -2.559 -0.114 95 HB2 CGU 14 HB1 GLA 14 22.131 -1.390 -2.337 96 HB3 CGU 14 HB2 GLA 14 20.535 -0.954 -1.742 97 HG CGU 14 HG GLA 14 21.396 -3.822 -1.581 98 H LEU 15 HN LEU 15 20.956 0.577 0.500 99 HA LEU 15 HA LEU 15 23.508 1.959 0.092 100 HB2 LEU 15 HB2 LEU 15 20.708 2.856 0.782 101 HB3 LEU 15 HB1 LEU 15 22.072 3.971 0.873 102 HG LEU 15 HG LEU 15 22.594 3.026 -1.552 103 HD11 LEU 15 HD11 LEU 15 19.660 2.455 -1.142 104 HD12 LEU 15 HD12 LEU 15 20.908 1.336 -1.682 105 HD13 LEU 15 HD13 LEU 15 20.384 2.648 -2.736 106 HD21 LEU 15 HD21 LEU 15 22.184 5.237 -1.766 107 HD22 LEU 15 HD22 LEU 15 20.931 5.205 -0.528 108 HD23 LEU 15 HD23 LEU 15 20.542 4.759 -2.191 109 H ALA 16 HN ALA 16 21.934 0.400 2.716 110 HA ALA 16 HA ALA 16 22.978 2.022 4.867 111 HB1 ALA 16 HB1 ALA 16 21.415 0.557 5.720 112 HB2 ALA 16 HB2 ALA 16 22.865 -0.396 6.034 113 HB3 ALA 16 HB3 ALA 16 21.873 -0.742 4.618 114 H ASN 17 HN ASN 17 24.206 -0.932 3.239 115 HA ASN 17 HA ASN 17 26.697 -0.942 4.732 116 HB2 ASN 17 HB2 ASN 17 27.468 -2.429 2.791 117 HB3 ASN 17 HB1 ASN 17 26.064 -3.008 3.686 118 HD21 ASN 17 HD21 ASN 17 27.146 -1.765 0.586 119 HD22 ASN 17 HD22 ASN 17 25.651 -1.949 -0.213 120 H TYR 18 HN TYR 18 25.588 0.487 1.721 121 HA TYR 18 HA TYR 18 28.197 1.444 0.872 122 HB2 TYR 18 HB2 TYR 18 26.433 1.123 -0.778 123 HB3 TYR 18 HB1 TYR 18 25.382 2.249 0.079 124 HD1 TYR 18 HD1 TYR 18 28.825 2.116 -1.430 125 HD2 TYR 18 HD2 TYR 18 25.324 4.474 -0.619 126 HE1 TYR 18 HE1 TYR 18 29.808 4.015 -2.690 127 HE2 TYR 18 HE2 TYR 18 26.311 6.366 -1.882 128 HH TYR 18 HH TYR 18 29.174 6.892 -2.441 129 HN1 NH2 19 H1 NH2 19 25.360 3.108 2.424 130 HN2 NH2 19 H2 NH2 19 26.294 4.424 3.002 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 3.816 5.805 0.657 2 H2 GLY 1 HT2 GLY 1 4.194 4.725 1.922 3 H3 GLY 1 HT3 GLY 1 2.837 5.740 2.047 4 HA2 GLY 1 HA1 GLY 1 1.564 4.189 1.128 5 HA3 GLY 1 HA2 GLY 1 2.574 4.258 -0.318 6 H GLU 2 HN GLU 2 1.756 1.816 0.023 7 HA GLU 2 HA GLU 2 3.339 0.244 1.910 8 HB2 GLU 2 HB2 GLU 2 2.406 -1.584 0.094 9 HB3 GLU 2 HB1 GLU 2 1.491 -1.024 1.491 10 HG2 GLU 2 HG2 GLU 2 0.117 -0.872 -0.539 11 HG3 GLU 2 HG1 GLU 2 0.446 0.741 0.084 12 H CGU 3 HN GLA 3 3.442 0.938 -1.571 13 HA CGU 3 HA GLA 3 5.738 -0.793 -2.060 14 HB2 CGU 3 HB1 GLA 3 4.585 1.556 -3.645 15 HB3 CGU 3 HB2 GLA 3 4.194 -0.144 -3.927 16 HG CGU 3 HG GLA 3 6.933 1.147 -4.222 17 H CGU 4 HN GLA 4 5.275 2.510 -1.019 18 HA CGU 4 HA GLA 4 7.897 3.516 -1.573 19 HB2 CGU 4 HB1 GLA 4 7.134 4.887 0.674 20 HB3 CGU 4 HB2 GLA 4 5.578 4.310 0.070 21 HG CGU 4 HG GLA 4 6.311 5.197 -2.223 22 H LEU 5 HN LEU 5 6.557 2.331 1.552 23 HA LEU 5 HA LEU 5 8.964 2.378 2.993 24 HB2 LEU 5 HB2 LEU 5 7.935 0.841 4.514 25 HB3 LEU 5 HB1 LEU 5 6.697 1.952 3.947 26 HG LEU 5 HG LEU 5 6.302 0.099 2.123 27 HD11 LEU 5 HD11 LEU 5 7.347 -1.872 2.429 28 HD12 LEU 5 HD12 LEU 5 6.867 -1.922 4.124 29 HD13 LEU 5 HD13 LEU 5 8.341 -1.080 3.652 30 HD21 LEU 5 HD21 LEU 5 4.662 -0.975 3.640 31 HD22 LEU 5 HD22 LEU 5 4.658 0.779 3.825 32 HD23 LEU 5 HD23 LEU 5 5.468 -0.231 5.021 33 H ALA 6 HN ALA 6 7.652 -0.257 1.026 34 HA ALA 6 HA ALA 6 9.710 -2.152 1.443 35 HB1 ALA 6 HB1 ALA 6 7.663 -2.707 0.214 36 HB2 ALA 6 HB2 ALA 6 9.068 -3.051 -0.794 37 HB3 ALA 6 HB3 ALA 6 8.112 -1.596 -1.079 38 H CGU 7 HN GLA 7 9.451 0.272 -1.190 39 HA CGU 7 HA GLA 7 12.001 -0.186 -2.342 40 HB2 CGU 7 HB1 GLA 7 11.777 2.168 -3.170 41 HB3 CGU 7 HB2 GLA 7 10.369 2.370 -2.129 42 HG CGU 7 HG GLA 7 9.452 0.231 -3.353 43 H LYS 8 HN LYS 8 11.014 2.213 0.120 44 HA LYS 8 HA LYS 8 13.611 3.274 0.620 45 HB2 LYS 8 HB2 LYS 8 11.265 2.956 2.516 46 HB3 LYS 8 HB1 LYS 8 12.666 3.989 2.801 47 HG2 LYS 8 HG2 LYS 8 10.833 4.263 0.396 48 HG3 LYS 8 HG1 LYS 8 10.665 5.215 1.871 49 HD2 LYS 8 HD2 LYS 8 13.138 5.864 1.525 50 HD3 LYS 8 HD1 LYS 8 12.950 5.228 -0.109 51 HE2 LYS 8 HE2 LYS 8 11.142 7.345 1.094 52 HE3 LYS 8 HE1 LYS 8 12.540 7.710 0.079 53 HZ1 LYS 8 HZ1 LYS 8 11.202 5.825 -1.345 54 HZ2 LYS 8 HZ2 LYS 8 11.117 7.499 -1.617 55 HZ3 LYS 8 HZ3 LYS 8 9.928 6.727 -0.665 56 H ALA 9 HN ALA 9 11.841 0.604 2.187 57 HA ALA 9 HA ALA 9 13.840 -0.084 4.096 58 HB1 ALA 9 HB1 ALA 9 11.816 -1.139 4.507 59 HB2 ALA 9 HB2 ALA 9 12.712 -2.458 3.757 60 HB3 ALA 9 HB3 ALA 9 11.552 -1.527 2.809 61 H CGU 10 HN GLA 10 13.334 -1.396 0.770 62 HA CGU 10 HA GLA 10 15.592 -3.160 0.971 63 HB2 CGU 10 HB1 GLA 10 13.967 -2.113 -1.359 64 HB3 CGU 10 HB2 GLA 10 14.012 -3.748 -0.697 65 HG CGU 10 HG GLA 10 16.470 -2.458 -1.824 66 H PHE 11 HN PHE 11 15.190 0.128 -0.393 67 HA PHE 11 HA PHE 11 17.888 0.389 -1.358 68 HB2 PHE 11 HB2 PHE 11 16.707 2.127 -2.207 69 HB3 PHE 11 HB1 PHE 11 15.561 2.114 -0.884 70 HD1 PHE 11 HD1 PHE 11 16.605 2.975 1.451 71 HD2 PHE 11 HD2 PHE 11 18.078 3.972 -2.453 72 HE1 PHE 11 HE1 PHE 11 17.608 5.045 2.369 73 HE2 PHE 11 HE2 PHE 11 19.078 6.052 -1.536 74 HZ PHE 11 HZ PHE 11 18.848 6.585 0.874 75 H ALA 12 HN ALA 12 16.383 0.994 1.785 76 HA ALA 12 HA ALA 12 18.577 2.211 3.093 77 HB1 ALA 12 HB1 ALA 12 16.484 2.123 4.242 78 HB2 ALA 12 HB2 ALA 12 17.580 1.105 5.175 79 HB3 ALA 12 HB3 ALA 12 16.397 0.369 4.094 80 H ARG 13 HN ARG 13 17.993 -1.193 2.291 81 HA ARG 13 HA ARG 13 20.207 -2.135 3.949 82 HB2 ARG 13 HB2 ARG 13 18.270 -3.582 3.328 83 HB3 ARG 13 HB1 ARG 13 18.816 -3.547 1.651 84 HG2 ARG 13 HG2 ARG 13 20.954 -4.565 2.297 85 HG3 ARG 13 HG1 ARG 13 20.472 -4.545 3.992 86 HD2 ARG 13 HD2 ARG 13 18.544 -6.023 3.433 87 HD3 ARG 13 HD1 ARG 13 19.118 -6.096 1.764 88 HE ARG 13 HE ARG 13 21.325 -6.884 3.250 89 HH11 ARG 13 HH11 ARG 13 19.787 -8.023 5.348 90 HH12 ARG 13 HH12 ARG 13 19.325 -9.581 4.757 91 HH21 ARG 13 HH21 ARG 13 19.983 -8.792 1.466 92 HH22 ARG 13 HH22 ARG 13 19.432 -10.017 2.556 93 H CGU 14 HN GLA 14 19.814 -2.180 0.372 94 HA CGU 14 HA GLA 14 22.527 -2.676 -0.214 95 HB2 CGU 14 HB1 GLA 14 21.952 -1.560 -2.444 96 HB3 CGU 14 HB2 GLA 14 20.365 -1.226 -1.765 97 HG CGU 14 HG GLA 14 21.381 -4.024 -1.527 98 H LEU 15 HN LEU 15 20.900 0.435 0.384 99 HA LEU 15 HA LEU 15 23.411 1.851 -0.196 100 HB2 LEU 15 HB2 LEU 15 20.638 2.751 0.605 101 HB3 LEU 15 HB1 LEU 15 21.996 3.874 0.544 102 HG LEU 15 HG LEU 15 22.363 2.787 -1.855 103 HD11 LEU 15 HD11 LEU 15 19.457 2.266 -1.227 104 HD12 LEU 15 HD12 LEU 15 20.663 1.107 -1.777 105 HD13 LEU 15 HD13 LEU 15 20.080 2.360 -2.871 106 HD21 LEU 15 HD21 LEU 15 20.833 5.049 -0.841 107 HD22 LEU 15 HD22 LEU 15 20.247 4.504 -2.413 108 HD23 LEU 15 HD23 LEU 15 21.934 4.969 -2.214 109 H ALA 16 HN ALA 16 21.984 0.339 2.526 110 HA ALA 16 HA ALA 16 22.989 2.031 4.618 111 HB1 ALA 16 HB1 ALA 16 21.638 0.422 5.563 112 HB2 ALA 16 HB2 ALA 16 23.179 -0.410 5.763 113 HB3 ALA 16 HB3 ALA 16 22.128 -0.817 4.409 114 H ASN 17 HN ASN 17 24.415 -0.783 2.923 115 HA ASN 17 HA ASN 17 26.973 -0.552 4.293 116 HB2 ASN 17 HB2 ASN 17 27.755 -1.943 2.247 117 HB3 ASN 17 HB1 ASN 17 26.553 -2.675 3.310 118 HD21 ASN 17 HD21 ASN 17 27.044 -1.244 0.120 119 HD22 ASN 17 HD22 ASN 17 25.513 -1.675 -0.498 120 H TYR 18 HN TYR 18 25.562 0.788 1.373 121 HA TYR 18 HA TYR 18 28.022 1.930 0.338 122 HB2 TYR 18 HB2 TYR 18 25.986 1.440 -1.049 123 HB3 TYR 18 HB1 TYR 18 25.155 2.754 -0.218 124 HD1 TYR 18 HD1 TYR 18 28.357 2.094 -2.075 125 HD2 TYR 18 HD2 TYR 18 25.234 4.896 -1.145 126 HE1 TYR 18 HE1 TYR 18 29.356 3.734 -3.646 127 HE2 TYR 18 HE2 TYR 18 26.237 6.529 -2.719 128 HH TYR 18 HH TYR 18 29.001 6.713 -3.648 129 HN1 NH2 19 H1 NH2 19 25.216 3.391 2.123 130 HN2 NH2 19 H2 NH2 19 26.104 4.764 2.643 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 1.459 4.442 -0.116 2 H2 GLY 1 HT2 GLY 1 1.327 2.739 -0.065 3 H3 GLY 1 HT3 GLY 1 2.613 3.483 -0.915 4 HA2 GLY 1 HA1 GLY 1 3.583 4.306 1.119 5 HA3 GLY 1 HA2 GLY 1 2.211 3.681 2.034 6 H GLU 2 HN GLU 2 1.759 1.283 1.124 7 HA GLU 2 HA GLU 2 3.532 -0.502 2.274 8 HB2 GLU 2 HB2 GLU 2 2.454 -2.210 0.832 9 HB3 GLU 2 HB1 GLU 2 1.279 -1.095 1.521 10 HG2 GLU 2 HG2 GLU 2 2.271 -1.264 -1.328 11 HG3 GLU 2 HG1 GLU 2 0.615 -1.249 -0.742 12 H CGU 3 HN GLA 3 3.486 0.392 -1.211 13 HA CGU 3 HA GLA 3 5.843 -1.182 -1.831 14 HB2 CGU 3 HB1 GLA 3 4.601 1.188 -3.308 15 HB3 CGU 3 HB2 GLA 3 4.178 -0.504 -3.597 16 HG CGU 3 HG GLA 3 6.936 0.730 -3.959 17 H CGU 4 HN GLA 4 5.310 2.255 -1.054 18 HA CGU 4 HA GLA 4 7.896 3.234 -1.552 19 HB2 CGU 4 HB1 GLA 4 7.373 4.838 0.348 20 HB3 CGU 4 HB2 GLA 4 5.873 3.945 0.581 21 HG CGU 4 HG GLA 4 6.346 4.647 -2.229 22 H LEU 5 HN LEU 5 6.599 1.799 1.454 23 HA LEU 5 HA LEU 5 8.974 1.938 2.988 24 HB2 LEU 5 HB2 LEU 5 6.535 0.192 3.021 25 HB3 LEU 5 HB1 LEU 5 7.912 -0.257 4.030 26 HG LEU 5 HG LEU 5 7.838 2.295 4.727 27 HD11 LEU 5 HD11 LEU 5 5.426 3.033 4.857 28 HD12 LEU 5 HD12 LEU 5 5.031 1.724 3.744 29 HD13 LEU 5 HD13 LEU 5 6.098 3.029 3.228 30 HD21 LEU 5 HD21 LEU 5 6.300 1.667 6.586 31 HD22 LEU 5 HD22 LEU 5 7.521 0.433 6.279 32 HD23 LEU 5 HD23 LEU 5 5.870 0.203 5.702 33 H ALA 6 HN ALA 6 7.772 -0.835 1.049 34 HA ALA 6 HA ALA 6 9.946 -2.568 1.408 35 HB1 ALA 6 HB1 ALA 6 9.367 -3.503 -0.828 36 HB2 ALA 6 HB2 ALA 6 8.338 -2.100 -1.124 37 HB3 ALA 6 HB3 ALA 6 7.938 -3.231 0.169 38 H CGU 7 HN GLA 7 9.580 -0.098 -1.157 39 HA CGU 7 HA GLA 7 12.148 -0.455 -2.330 40 HB2 CGU 7 HB1 GLA 7 11.791 1.811 -3.252 41 HB3 CGU 7 HB2 GLA 7 10.439 2.052 -2.146 42 HG CGU 7 HG GLA 7 9.484 -0.155 -3.217 43 H LYS 8 HN LYS 8 11.051 2.024 0.013 44 HA LYS 8 HA LYS 8 13.578 3.207 0.526 45 HB2 LYS 8 HB2 LYS 8 11.117 2.874 2.252 46 HB3 LYS 8 HB1 LYS 8 12.513 3.833 2.746 47 HG2 LYS 8 HG2 LYS 8 12.195 5.418 1.044 48 HG3 LYS 8 HG1 LYS 8 11.231 4.312 0.062 49 HD2 LYS 8 HD2 LYS 8 9.417 4.419 1.760 50 HD3 LYS 8 HD1 LYS 8 10.373 5.575 2.688 51 HE2 LYS 8 HE2 LYS 8 10.384 7.100 0.712 52 HE3 LYS 8 HE1 LYS 8 9.334 5.962 -0.137 53 HZ1 LYS 8 HZ1 LYS 8 8.179 6.399 2.344 54 HZ2 LYS 8 HZ2 LYS 8 7.607 6.949 0.830 55 HZ3 LYS 8 HZ3 LYS 8 8.638 7.929 1.774 56 H ALA 9 HN ALA 9 11.922 0.505 2.146 57 HA ALA 9 HA ALA 9 13.936 0.001 4.115 58 HB1 ALA 9 HB1 ALA 9 12.883 -2.315 4.163 59 HB2 ALA 9 HB2 ALA 9 11.846 -1.780 2.840 60 HB3 ALA 9 HB3 ALA 9 11.762 -0.975 4.407 61 H CGU 10 HN GLA 10 13.460 -1.435 0.850 62 HA CGU 10 HA GLA 10 15.751 -3.158 1.107 63 HB2 CGU 10 HB1 GLA 10 14.049 -2.244 -1.216 64 HB3 CGU 10 HB2 GLA 10 14.209 -3.862 -0.532 65 HG CGU 10 HG GLA 10 16.576 -2.466 -1.717 66 H PHE 11 HN PHE 11 15.259 0.063 -0.378 67 HA PHE 11 HA PHE 11 17.914 0.373 -1.414 68 HB2 PHE 11 HB2 PHE 11 16.538 2.011 -2.231 69 HB3 PHE 11 HB1 PHE 11 15.604 2.103 -0.759 70 HD1 PHE 11 HD1 PHE 11 16.959 3.157 1.343 71 HD2 PHE 11 HD2 PHE 11 17.901 3.788 -2.803 72 HE1 PHE 11 HE1 PHE 11 18.053 5.298 1.918 73 HE2 PHE 11 HE2 PHE 11 18.994 5.935 -2.222 74 HZ PHE 11 HZ PHE 11 19.073 6.689 0.139 75 H ALA 12 HN ALA 12 16.492 1.164 1.754 76 HA ALA 12 HA ALA 12 18.780 2.331 2.928 77 HB1 ALA 12 HB1 ALA 12 17.252 2.455 4.586 78 HB2 ALA 12 HB2 ALA 12 17.590 0.762 4.947 79 HB3 ALA 12 HB3 ALA 12 16.276 1.185 3.849 80 H ARG 13 HN ARG 13 17.961 -1.099 2.443 81 HA ARG 13 HA ARG 13 20.139 -2.148 4.009 82 HB2 ARG 13 HB2 ARG 13 18.133 -3.454 3.171 83 HB3 ARG 13 HB1 ARG 13 18.882 -3.444 1.575 84 HG2 ARG 13 HG2 ARG 13 20.984 -4.375 2.830 85 HG3 ARG 13 HG1 ARG 13 19.828 -4.797 4.094 86 HD2 ARG 13 HD2 ARG 13 19.669 -5.659 1.187 87 HD3 ARG 13 HD1 ARG 13 20.150 -6.682 2.542 88 HE ARG 13 HE ARG 13 17.569 -5.555 3.082 89 HH11 ARG 13 HH11 ARG 13 16.774 -6.226 0.460 90 HH12 ARG 13 HH12 ARG 13 16.455 -7.932 0.521 91 HH21 ARG 13 HH21 ARG 13 18.220 -8.412 3.440 92 HH22 ARG 13 HH22 ARG 13 17.279 -9.171 2.203 93 H CGU 14 HN GLA 14 19.864 -2.001 0.425 94 HA CGU 14 HA GLA 14 22.622 -2.486 -0.056 95 HB2 CGU 14 HB1 GLA 14 22.108 -1.399 -2.301 96 HB3 CGU 14 HB2 GLA 14 20.492 -1.073 -1.691 97 HG CGU 14 HG GLA 14 21.550 -3.853 -1.411 98 H LEU 15 HN LEU 15 20.810 0.508 0.512 99 HA LEU 15 HA LEU 15 23.025 2.278 -0.045 100 HB2 LEU 15 HB2 LEU 15 20.433 2.586 1.470 101 HB3 LEU 15 HB1 LEU 15 21.591 3.901 1.313 102 HG LEU 15 HG LEU 15 19.604 3.458 -0.434 103 HD11 LEU 15 HD11 LEU 15 22.341 4.531 -1.065 104 HD12 LEU 15 HD12 LEU 15 20.991 5.432 -0.376 105 HD13 LEU 15 HD13 LEU 15 20.897 4.828 -2.031 106 HD21 LEU 15 HD21 LEU 15 20.476 1.299 -1.231 107 HD22 LEU 15 HD22 LEU 15 21.995 2.076 -1.667 108 HD23 LEU 15 HD23 LEU 15 20.512 2.505 -2.511 109 H ALA 16 HN ALA 16 21.672 0.932 3.000 110 HA ALA 16 HA ALA 16 23.476 2.184 4.793 111 HB1 ALA 16 HB1 ALA 16 21.620 0.884 5.656 112 HB2 ALA 16 HB2 ALA 16 23.110 0.143 6.237 113 HB3 ALA 16 HB3 ALA 16 22.230 -0.582 4.891 114 H ASN 17 HN ASN 17 23.832 -0.832 2.939 115 HA ASN 17 HA ASN 17 26.571 -1.235 3.892 116 HB2 ASN 17 HB2 ASN 17 25.136 -2.592 1.572 117 HB3 ASN 17 HB1 ASN 17 26.635 -3.102 2.324 118 HD21 ASN 17 HD21 ASN 17 23.152 -2.645 3.035 119 HD22 ASN 17 HD22 ASN 17 23.137 -3.750 4.339 120 H TYR 18 HN TYR 18 25.016 0.037 0.956 121 HA TYR 18 HA TYR 18 27.478 0.392 -0.513 122 HB2 TYR 18 HB2 TYR 18 25.373 0.382 -1.713 123 HB3 TYR 18 HB1 TYR 18 24.776 1.740 -0.759 124 HD1 TYR 18 HD1 TYR 18 27.664 0.819 -2.983 125 HD2 TYR 18 HD2 TYR 18 25.023 3.909 -1.593 126 HE1 TYR 18 HE1 TYR 18 28.689 2.419 -4.579 127 HE2 TYR 18 HE2 TYR 18 26.049 5.501 -3.193 128 HH TYR 18 HH TYR 18 28.786 5.320 -4.447 129 HN1 NH2 19 H1 NH2 19 25.609 2.615 1.640 130 HN2 NH2 19 H2 NH2 19 26.865 3.779 1.743 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 1.310 4.916 1.193 2 H2 GLY 1 HT2 GLY 1 2.549 4.898 0.021 3 H3 GLY 1 HT3 GLY 1 2.848 4.321 1.597 4 HA2 GLY 1 HA1 GLY 1 0.763 2.778 0.868 5 HA3 GLY 1 HA2 GLY 1 1.630 2.980 -0.655 6 H GLU 2 HN GLU 2 1.540 0.470 0.583 7 HA GLU 2 HA GLU 2 3.694 -0.121 2.352 8 HB2 GLU 2 HB2 GLU 2 1.874 -1.702 1.873 9 HB3 GLU 2 HB1 GLU 2 2.430 -1.856 0.206 10 HG2 GLU 2 HG2 GLU 2 4.639 -2.678 1.091 11 HG3 GLU 2 HG1 GLU 2 3.934 -2.680 2.707 12 H CGU 3 HN GLA 3 3.597 -0.544 -1.207 13 HA CGU 3 HA GLA 3 6.226 -1.359 -1.666 14 HB2 CGU 3 HB1 GLA 3 4.560 0.597 -3.320 15 HB3 CGU 3 HB2 GLA 3 4.547 -1.159 -3.513 16 HG CGU 3 HG GLA 3 6.970 0.646 -3.913 17 H CGU 4 HN GLA 4 5.101 1.911 -0.928 18 HA CGU 4 HA GLA 4 7.502 3.302 -1.589 19 HB2 CGU 4 HB1 GLA 4 6.591 4.826 0.398 20 HB3 CGU 4 HB2 GLA 4 5.161 3.810 0.206 21 HG CGU 4 HG GLA 4 5.275 4.332 -2.286 22 H LEU 5 HN LEU 5 6.543 1.461 1.268 23 HA LEU 5 HA LEU 5 8.944 2.234 2.767 24 HB2 LEU 5 HB2 LEU 5 6.664 0.303 3.237 25 HB3 LEU 5 HB1 LEU 5 8.082 0.323 4.285 26 HG LEU 5 HG LEU 5 7.600 2.942 4.307 27 HD11 LEU 5 HD11 LEU 5 5.348 1.929 2.905 28 HD12 LEU 5 HD12 LEU 5 5.615 3.577 3.469 29 HD13 LEU 5 HD13 LEU 5 4.781 2.415 4.503 30 HD21 LEU 5 HD21 LEU 5 6.163 2.537 6.343 31 HD22 LEU 5 HD22 LEU 5 7.657 1.601 6.317 32 HD23 LEU 5 HD23 LEU 5 6.127 0.830 5.903 33 H ALA 6 HN ALA 6 7.721 -0.645 1.060 34 HA ALA 6 HA ALA 6 9.845 -2.428 1.570 35 HB1 ALA 6 HB1 ALA 6 8.325 -2.085 -1.037 36 HB2 ALA 6 HB2 ALA 6 7.777 -3.041 0.340 37 HB3 ALA 6 HB3 ALA 6 9.224 -3.521 -0.548 38 H CGU 7 HN GLA 7 9.559 -0.050 -1.090 39 HA CGU 7 HA GLA 7 12.075 -0.522 -2.298 40 HB2 CGU 7 HB1 GLA 7 11.873 1.891 -3.032 41 HB3 CGU 7 HB2 GLA 7 10.447 2.031 -2.003 42 HG CGU 7 HG GLA 7 9.591 -0.084 -3.325 43 H LYS 8 HN LYS 8 11.183 1.831 0.239 44 HA LYS 8 HA LYS 8 13.815 2.804 0.753 45 HB2 LYS 8 HB2 LYS 8 11.345 2.601 2.482 46 HB3 LYS 8 HB1 LYS 8 12.833 3.376 3.030 47 HG2 LYS 8 HG2 LYS 8 12.693 5.086 1.431 48 HG3 LYS 8 HG1 LYS 8 11.611 4.156 0.393 49 HD2 LYS 8 HD2 LYS 8 9.930 4.299 2.368 50 HD3 LYS 8 HD1 LYS 8 10.970 5.590 2.973 51 HE2 LYS 8 HE2 LYS 8 9.109 6.470 1.573 52 HE3 LYS 8 HE1 LYS 8 10.692 6.836 0.882 53 HZ1 LYS 8 HZ1 LYS 8 9.380 4.324 0.101 54 HZ2 LYS 8 HZ2 LYS 8 10.416 5.338 -0.799 55 HZ3 LYS 8 HZ3 LYS 8 8.779 5.778 -0.574 56 H ALA 9 HN ALA 9 11.937 0.174 2.254 57 HA ALA 9 HA ALA 9 13.821 -0.648 4.193 58 HB1 ALA 9 HB1 ALA 9 12.538 -2.574 4.407 59 HB2 ALA 9 HB2 ALA 9 12.263 -2.710 2.670 60 HB3 ALA 9 HB3 ALA 9 11.387 -1.503 3.609 61 H CGU 10 HN GLA 10 13.630 -1.599 0.730 62 HA CGU 10 HA GLA 10 15.976 -3.309 1.063 63 HB2 CGU 10 HB1 GLA 10 14.292 -2.537 -1.328 64 HB3 CGU 10 HB2 GLA 10 14.494 -4.128 -0.589 65 HG CGU 10 HG GLA 10 16.818 -2.625 -1.750 66 H PHE 11 HN PHE 11 15.302 -0.147 -0.516 67 HA PHE 11 HA PHE 11 17.976 0.278 -1.455 68 HB2 PHE 11 HB2 PHE 11 16.635 1.858 -2.386 69 HB3 PHE 11 HB1 PHE 11 15.552 1.898 -1.017 70 HD1 PHE 11 HD1 PHE 11 16.786 2.955 1.234 71 HD2 PHE 11 HD2 PHE 11 17.803 3.783 -2.860 72 HE1 PHE 11 HE1 PHE 11 17.704 5.149 1.905 73 HE2 PHE 11 HE2 PHE 11 18.718 5.983 -2.183 74 HZ PHE 11 HZ PHE 11 18.672 6.664 0.201 75 H ALA 12 HN ALA 12 16.407 0.847 1.667 76 HA ALA 12 HA ALA 12 18.533 2.248 2.917 77 HB1 ALA 12 HB1 ALA 12 17.641 1.204 5.046 78 HB2 ALA 12 HB2 ALA 12 16.548 0.248 4.045 79 HB3 ALA 12 HB3 ALA 12 16.413 2.006 4.065 80 H ARG 13 HN ARG 13 18.003 -1.264 2.464 81 HA ARG 13 HA ARG 13 20.281 -2.133 3.971 82 HB2 ARG 13 HB2 ARG 13 18.691 -3.319 1.707 83 HB3 ARG 13 HB1 ARG 13 20.157 -4.122 2.269 84 HG2 ARG 13 HG2 ARG 13 19.230 -4.118 4.585 85 HG3 ARG 13 HG1 ARG 13 17.737 -3.415 3.956 86 HD2 ARG 13 HD2 ARG 13 18.894 -6.002 2.893 87 HD3 ARG 13 HD1 ARG 13 17.733 -5.954 4.223 88 HE ARG 13 HE ARG 13 17.157 -5.177 1.395 89 HH11 ARG 13 HH11 ARG 13 15.596 -7.332 2.413 90 HH12 ARG 13 HH12 ARG 13 14.177 -6.580 3.050 91 HH21 ARG 13 HH21 ARG 13 15.607 -3.433 3.192 92 HH22 ARG 13 HH22 ARG 13 14.185 -4.384 3.498 93 H CGU 14 HN GLA 14 20.041 -1.978 0.388 94 HA CGU 14 HA GLA 14 22.824 -2.222 -0.060 95 HB2 CGU 14 HB1 GLA 14 22.283 -1.178 -2.301 96 HB3 CGU 14 HB2 GLA 14 20.637 -0.945 -1.725 97 HG CGU 14 HG GLA 14 21.872 -3.657 -1.439 98 H LEU 15 HN LEU 15 20.807 0.666 0.457 99 HA LEU 15 HA LEU 15 22.950 2.538 -0.040 100 HB2 LEU 15 HB2 LEU 15 20.326 2.741 1.446 101 HB3 LEU 15 HB1 LEU 15 21.419 4.106 1.246 102 HG LEU 15 HG LEU 15 19.456 3.490 -0.491 103 HD11 LEU 15 HD11 LEU 15 22.119 4.731 -1.128 104 HD12 LEU 15 HD12 LEU 15 20.701 5.554 -0.480 105 HD13 LEU 15 HD13 LEU 15 20.671 4.902 -2.117 106 HD21 LEU 15 HD21 LEU 15 21.942 2.212 -1.648 107 HD22 LEU 15 HD22 LEU 15 20.477 2.574 -2.553 108 HD23 LEU 15 HD23 LEU 15 20.435 1.385 -1.257 109 H ALA 16 HN ALA 16 21.638 0.998 2.903 110 HA ALA 16 HA ALA 16 23.393 2.319 4.750 111 HB1 ALA 16 HB1 ALA 16 21.442 1.022 5.513 112 HB2 ALA 16 HB2 ALA 16 22.916 0.384 6.240 113 HB3 ALA 16 HB3 ALA 16 22.166 -0.459 4.886 114 H ASN 17 HN ASN 17 23.695 -0.724 2.897 115 HA ASN 17 HA ASN 17 26.379 -1.236 3.921 116 HB2 ASN 17 HB2 ASN 17 26.150 -3.245 2.889 117 HB3 ASN 17 HB1 ASN 17 24.484 -2.763 2.588 118 HD21 ASN 17 HD21 ASN 17 27.704 -2.063 1.075 119 HD22 ASN 17 HD22 ASN 17 27.147 -2.289 -0.521 120 H TYR 18 HN TYR 18 25.001 0.266 1.014 121 HA TYR 18 HA TYR 18 27.558 0.680 -0.289 122 HB2 TYR 18 HB2 TYR 18 25.601 0.728 -1.673 123 HB3 TYR 18 HB1 TYR 18 24.828 1.938 -0.649 124 HD1 TYR 18 HD1 TYR 18 25.356 4.278 -0.842 125 HD2 TYR 18 HD2 TYR 18 27.552 1.364 -3.106 126 HE1 TYR 18 HE1 TYR 18 26.367 6.091 -2.197 127 HE2 TYR 18 HE2 TYR 18 28.560 3.184 -4.461 128 HH TYR 18 HH TYR 18 28.835 6.112 -3.672 129 HN1 NH2 19 H1 NH2 19 25.468 2.859 1.721 130 HN2 NH2 19 H2 NH2 19 26.727 3.983 2.029
Contact the webmaster for help, if required. Thursday, July 4, 2024 11:06:59 PM GMT (wattos1)