NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636369 | 6d37 | 30453 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 HA2 ALA 1 19.652 0.773 -6.477 2 H2 ACE 1 HA3 ALA 1 20.588 1.583 -7.742 3 H3 ACE 1 HA1 ALA 1 20.333 2.379 -6.182 4 H ALA 2 HN ALA 1 22.802 1.532 -7.685 5 HA ALA 2 HA ALA 1 24.005 -0.609 -6.250 6 HB1 ALA 2 HB2 ALA 1 26.076 0.074 -7.317 7 HB2 ALA 2 HB3 ALA 1 25.344 1.603 -7.805 8 HB3 ALA 2 HB1 ALA 1 24.754 0.086 -8.485 9 H TYR 3 HN TYR 2 24.370 2.936 -6.024 10 HA TYR 3 HA TYR 2 26.152 2.874 -3.821 11 HB2 TYR 3 HB2 TYR 2 25.800 4.810 -5.408 12 HB3 TYR 3 HB1 TYR 2 24.295 5.143 -4.558 13 HD1 TYR 3 HD1 TYR 2 27.910 5.425 -4.477 14 HD2 TYR 3 HD2 TYR 2 24.352 5.870 -2.184 15 HE1 TYR 3 HE1 TYR 2 29.143 6.779 -2.836 16 HE2 TYR 3 HE2 TYR 2 25.581 7.223 -0.536 17 HH TYR 3 HH TYR 2 28.684 7.268 -0.134 18 H ALA 4 HN ALA 3 22.628 3.200 -4.067 19 HA ALA 4 HA ALA 3 22.090 3.726 -1.364 20 HB1 ALA 4 HB1 ALA 3 20.333 2.235 -3.310 21 HB2 ALA 4 HB2 ALA 3 20.455 3.991 -3.197 22 HB3 ALA 4 HB3 ALA 3 19.819 3.061 -1.839 23 H GLN 5 HN GLN 4 22.450 0.666 -3.121 24 HA GLN 5 HA GLN 4 21.724 -1.039 -0.984 25 HB2 GLN 5 HB2 GLN 4 21.840 -1.737 -3.374 26 HB3 GLN 5 HB1 GLN 4 23.593 -1.639 -3.287 27 HG2 GLN 5 HG2 GLN 4 23.781 -3.588 -2.186 28 HG3 GLN 5 HG1 GLN 4 22.327 -3.311 -1.228 29 HE21 GLN 5 HE21 GLN 4 20.295 -3.847 -2.128 30 HE22 GLN 5 HE22 GLN 4 20.165 -4.979 -3.426 31 H TRP 6 HN TRP 5 24.806 0.339 -2.036 32 HA TRP 6 HA TRP 5 26.576 -1.060 -0.427 33 HB2 TRP 6 HB2 TRP 5 27.421 0.431 -2.103 34 HB3 TRP 6 HB1 TRP 5 26.623 1.813 -1.365 35 HD1 TRP 6 HD1 TRP 5 29.451 -0.696 -0.478 36 HE1 TRP 6 HE1 TRP 5 31.199 0.554 0.933 37 HE3 TRP 6 HE3 TRP 5 27.106 3.831 -0.104 38 HZ2 TRP 6 HZ2 TRP 5 31.543 3.118 2.056 39 HZ3 TRP 6 HZ3 TRP 5 28.214 5.632 1.157 40 HH2 TRP 6 HH2 TRP 5 30.387 5.278 2.214 41 H LEU 7 HN LEU 6 24.638 1.813 0.357 42 HA LEU 7 HA LEU 6 25.661 2.193 2.969 43 HB2 LEU 7 HB2 LEU 6 23.050 3.010 1.699 44 HB3 LEU 7 HB1 LEU 6 23.518 3.485 3.321 45 HG LEU 7 HG LEU 6 25.112 4.160 0.851 46 HD11 LEU 7 HD11 LEU 6 22.799 5.491 2.133 47 HD12 LEU 7 HD12 LEU 6 23.313 5.479 0.446 48 HD13 LEU 7 HD13 LEU 6 24.137 6.516 1.612 49 HD21 LEU 7 HD21 LEU 6 25.242 5.181 3.688 50 HD22 LEU 7 HD22 LEU 6 26.202 5.780 2.336 51 HD23 LEU 7 HD23 LEU 6 26.419 4.125 2.906 52 H ALA 8 HN ALA 7 22.934 0.338 1.693 53 HA ALA 8 HA ALA 7 21.742 -0.380 4.130 54 HB1 ALA 8 HB1 ALA 7 20.307 -1.524 2.850 55 HB2 ALA 8 HB2 ALA 7 21.593 -2.428 2.049 56 HB3 ALA 8 HB3 ALA 7 21.174 -0.809 1.491 57 H ASP 9 HN ASP 8 24.461 -1.774 2.368 58 HA ASP 9 HA ASP 8 24.633 -4.148 3.944 59 HB2 ASP 9 HB2 ASP 8 26.880 -2.903 2.351 60 HB3 ASP 9 HB1 ASP 8 26.689 -4.592 2.803 61 H DAL 10 HN DAL 9 25.495 -0.900 4.562 62 HA DAL 10 HA DAL 9 27.345 -1.722 6.702 63 HB1 DAL 10 HB1 DAL 9 25.407 0.532 7.062 64 HB2 DAL 10 HB2 DAL 9 26.271 -0.400 8.284 65 HB3 DAL 10 HB3 DAL 9 24.938 -1.135 7.394 66 H GLY 11 HN GLY 10 27.504 -0.304 3.895 67 HA2 GLY 11 HA2 GLY 10 28.698 1.407 2.936 68 HA3 GLY 11 HA1 GLY 10 28.454 2.322 4.416 69 HA PRO 12 HA PRO 11 32.954 1.855 4.498 70 HB2 PRO 12 HB2 PRO 11 32.663 3.499 6.938 71 HB3 PRO 12 HB1 PRO 11 33.628 3.795 5.489 72 HG2 PRO 12 HG2 PRO 11 31.407 5.203 5.998 73 HG3 PRO 12 HG1 PRO 11 31.861 4.748 4.344 74 HD2 PRO 12 HD2 PRO 11 29.807 3.530 6.150 75 HD3 PRO 12 HD1 PRO 11 29.727 3.853 4.406 76 H ALA 13 HN ALA 12 30.662 1.220 7.084 77 HA ALA 13 HA ALA 12 32.496 0.058 8.914 78 HB1 ALA 13 HB1 ALA 12 30.689 -0.367 10.257 79 HB2 ALA 13 HB2 ALA 12 29.624 -0.738 8.901 80 HB3 ALA 13 HB3 ALA 12 30.050 0.936 9.255 81 H SER 14 HN SER 13 30.524 -1.274 6.292 82 HA SER 14 HA SER 13 30.914 -4.002 6.922 83 HB2 SER 14 HB2 SER 13 30.099 -4.475 4.689 84 HB3 SER 14 HB1 SER 13 29.152 -3.158 5.374 85 HG SER 14 HG SER 13 30.040 -1.773 3.993 86 H DAL 15 HN DAL 14 32.917 -1.665 5.277 87 HA DAL 15 HA DAL 14 35.071 -3.621 5.138 88 HB1 DAL 15 HB1 DAL 14 35.101 -0.650 4.616 89 HB2 DAL 15 HB2 DAL 14 36.515 -1.702 4.687 90 HB3 DAL 15 HB3 DAL 14 35.537 -1.440 6.131 91 H NVA 16 HN NVA 15 33.058 -1.674 3.010 92 HA NVA 16 HA NVA 15 34.364 -2.900 0.673 93 HB2 NVA 16 HB1 NVA 15 31.398 -2.511 1.125 94 HB3 NVA 16 HB2 NVA 15 32.249 -4.047 1.142 95 HG2 NVA 16 HG1 NVA 15 32.809 -3.761 -1.227 96 HG3 NVA 16 HG2 NVA 15 31.928 -2.229 -1.239 97 HD1 NVA 16 HD1 NVA 15 30.783 -4.966 -0.721 98 HD2 NVA 16 HD2 NVA 15 30.528 -3.962 -2.148 99 HD3 NVA 16 HD3 NVA 15 29.882 -3.456 -0.588 100 HA PRO 17 HA PRO 16 34.604 1.317 -0.703 101 HB2 PRO 17 HB2 PRO 16 35.273 0.885 -3.288 102 HB3 PRO 17 HB1 PRO 16 36.408 0.629 -1.958 103 HG2 PRO 17 HG2 PRO 16 34.767 -1.372 -3.460 104 HG3 PRO 17 HG1 PRO 16 36.459 -1.477 -2.942 105 HD2 PRO 17 HD2 PRO 16 34.417 -2.676 -1.602 106 HD3 PRO 17 HD1 PRO 16 35.895 -2.102 -0.804 107 HA PRO 18 HA PRO 17 30.406 2.001 -2.135 108 HB2 PRO 18 HB2 PRO 17 30.867 4.654 -2.838 109 HB3 PRO 18 HB1 PRO 17 30.373 4.092 -1.239 110 HG2 PRO 18 HG2 PRO 17 33.096 4.781 -2.249 111 HG3 PRO 18 HG1 PRO 17 32.371 5.100 -0.662 112 HD2 PRO 18 HD2 PRO 17 34.138 3.126 -0.997 113 HD3 PRO 18 HD1 PRO 17 32.736 2.923 0.076 114 HA PRO 19 HA PRO 18 31.059 1.449 -6.515 115 HB2 PRO 19 HB2 PRO 18 28.473 1.363 -7.290 116 HB3 PRO 19 HB1 PRO 18 29.248 0.033 -6.422 117 HG2 PRO 19 HG2 PRO 18 27.440 2.175 -5.383 118 HG3 PRO 19 HG1 PRO 18 27.467 0.447 -4.994 119 HD2 PRO 19 HD2 PRO 18 28.568 2.370 -3.402 120 HD3 PRO 19 HD1 PRO 18 29.146 0.695 -3.455 121 H SER 20 HN SER 19 31.513 2.871 -8.072 122 HA SER 20 HA SER 19 30.089 5.453 -8.081 123 HB2 SER 20 HB2 SER 19 32.917 4.864 -8.992 124 HB3 SER 20 HB1 SER 19 32.130 6.441 -9.038 125 HG SER 20 HG SER 19 32.158 6.528 -6.847 126 HN1 NH2 21 H2 SER 19 31.886 3.292 -10.281 127 HN2 NH2 21 H1 SER 19 30.867 3.564 -11.650 Start of MODEL 2 1 H1 ACE 1 HA2 ALA 1 20.191 1.883 -6.886 2 H2 ACE 1 HA3 ALA 1 19.693 0.338 -7.570 3 H3 ACE 1 HA1 ALA 1 20.208 1.672 -8.635 4 H ALA 2 HN ALA 1 22.214 2.114 -6.238 5 HA ALA 2 HA ALA 1 24.058 -0.074 -6.546 6 HB1 ALA 2 HB2 ALA 1 24.543 2.529 -7.962 7 HB2 ALA 2 HB3 ALA 1 24.659 0.886 -8.593 8 HB3 ALA 2 HB1 ALA 1 25.874 1.485 -7.462 9 H TYR 3 HN TYR 2 24.296 3.438 -5.882 10 HA TYR 3 HA TYR 2 26.061 3.133 -3.702 11 HB2 TYR 3 HB2 TYR 2 25.733 5.230 -5.047 12 HB3 TYR 3 HB1 TYR 2 24.207 5.469 -4.202 13 HD1 TYR 3 HD1 TYR 2 27.844 5.622 -3.948 14 HD2 TYR 3 HD2 TYR 2 24.182 6.056 -1.822 15 HE1 TYR 3 HE1 TYR 2 29.040 6.779 -2.137 16 HE2 TYR 3 HE2 TYR 2 25.372 7.217 -0.007 17 HH TYR 3 HH TYR 2 27.910 8.662 -0.094 18 H ALA 4 HN ALA 3 22.535 3.418 -3.877 19 HA ALA 4 HA ALA 3 22.017 3.704 -1.135 20 HB1 ALA 4 HB1 ALA 3 20.294 4.136 -2.747 21 HB2 ALA 4 HB2 ALA 3 19.755 2.837 -1.683 22 HB3 ALA 4 HB3 ALA 3 20.334 2.464 -3.306 23 H GLN 5 HN GLN 4 22.399 0.799 -3.140 24 HA GLN 5 HA GLN 4 21.754 -1.080 -1.126 25 HB2 GLN 5 HB2 GLN 4 22.625 -1.142 -3.849 26 HB3 GLN 5 HB1 GLN 4 23.656 -2.218 -2.916 27 HG2 GLN 5 HG2 GLN 4 20.694 -2.364 -2.598 28 HG3 GLN 5 HG1 GLN 4 21.467 -3.107 -3.997 29 HE21 GLN 5 HE21 GLN 4 21.217 -5.220 -3.530 30 HE22 GLN 5 HE22 GLN 4 21.860 -5.995 -2.126 31 H TRP 6 HN TRP 5 24.759 0.497 -2.076 32 HA TRP 6 HA TRP 5 26.602 -1.015 -0.638 33 HB2 TRP 6 HB2 TRP 5 27.382 0.620 -2.206 34 HB3 TRP 6 HB1 TRP 5 26.567 1.921 -1.349 35 HD1 TRP 6 HD1 TRP 5 29.455 -0.591 -0.689 36 HE1 TRP 6 HE1 TRP 5 31.211 0.596 0.766 37 HE3 TRP 6 HE3 TRP 5 27.050 3.865 0.022 38 HZ2 TRP 6 HZ2 TRP 5 31.540 3.084 2.045 39 HZ3 TRP 6 HZ3 TRP 5 28.158 5.597 1.377 40 HH2 TRP 6 HH2 TRP 5 30.358 5.210 2.366 41 H LEU 7 HN LEU 6 24.628 1.749 0.399 42 HA LEU 7 HA LEU 6 25.688 1.955 3.012 43 HB2 LEU 7 HB2 LEU 6 23.066 2.819 1.810 44 HB3 LEU 7 HB1 LEU 6 23.476 3.128 3.486 45 HG LEU 7 HG LEU 6 25.031 4.141 1.104 46 HD11 LEU 7 HD11 LEU 6 24.128 6.357 2.211 47 HD12 LEU 7 HD12 LEU 6 22.833 5.285 2.746 48 HD13 LEU 7 HD13 LEU 6 23.174 5.465 1.024 49 HD21 LEU 7 HD21 LEU 6 25.328 4.662 4.061 50 HD22 LEU 7 HD22 LEU 6 26.176 5.541 2.789 51 HD23 LEU 7 HD23 LEU 6 26.472 3.817 3.017 52 H ALA 8 HN ALA 7 23.057 0.056 1.630 53 HA ALA 8 HA ALA 7 21.844 -0.823 3.997 54 HB1 ALA 8 HB1 ALA 7 20.727 -2.419 2.693 55 HB2 ALA 8 HB2 ALA 7 22.040 -2.508 1.519 56 HB3 ALA 8 HB3 ALA 7 21.021 -1.070 1.595 57 H ASP 9 HN ASP 8 24.685 -2.023 2.276 58 HA ASP 9 HA ASP 8 24.928 -4.422 3.810 59 HB2 ASP 9 HB2 ASP 8 27.200 -3.101 2.334 60 HB3 ASP 9 HB1 ASP 8 26.953 -4.812 2.653 61 H DAL 10 HN DAL 9 25.638 -1.157 4.496 62 HA DAL 10 HA DAL 9 27.470 -1.937 6.664 63 HB1 DAL 10 HB1 DAL 9 24.889 -1.167 7.052 64 HB2 DAL 10 HB2 DAL 9 25.750 0.363 7.229 65 HB3 DAL 10 HB3 DAL 9 26.180 -1.014 8.244 66 H GLY 11 HN GLY 10 27.640 -0.478 3.870 67 HA2 GLY 11 HA2 GLY 10 28.798 1.282 2.958 68 HA3 GLY 11 HA1 GLY 10 28.525 2.159 4.453 69 HA PRO 12 HA PRO 11 33.036 1.778 4.527 70 HB2 PRO 12 HB2 PRO 11 32.724 3.440 6.949 71 HB3 PRO 12 HB1 PRO 11 33.672 3.742 5.490 72 HG2 PRO 12 HG2 PRO 11 31.425 5.107 6.007 73 HG3 PRO 12 HG1 PRO 11 31.882 4.658 4.354 74 HD2 PRO 12 HD2 PRO 11 29.860 3.404 6.171 75 HD3 PRO 12 HD1 PRO 11 29.767 3.717 4.425 76 H ALA 13 HN ALA 12 30.765 1.125 7.130 77 HA ALA 13 HA ALA 12 32.619 0.045 8.979 78 HB1 ALA 13 HB1 ALA 12 30.437 -1.103 9.851 79 HB2 ALA 13 HB2 ALA 12 29.653 -0.015 8.704 80 HB3 ALA 13 HB3 ALA 12 30.654 0.641 9.999 81 H SER 14 HN SER 13 30.640 -1.446 6.434 82 HA SER 14 HA SER 13 31.263 -4.125 7.118 83 HB2 SER 14 HB2 SER 13 30.408 -4.680 4.858 84 HB3 SER 14 HB1 SER 13 29.323 -3.613 5.745 85 HG SER 14 HG SER 13 29.693 -2.058 4.353 86 H DAL 15 HN DAL 14 33.001 -1.697 5.336 87 HA DAL 15 HA DAL 14 35.243 -3.528 5.036 88 HB1 DAL 15 HB1 DAL 14 36.528 -1.527 4.447 89 HB2 DAL 15 HB2 DAL 14 35.667 -1.320 5.972 90 HB3 DAL 15 HB3 DAL 14 35.051 -0.565 4.502 91 H NVA 16 HN NVA 15 33.029 -1.648 3.037 92 HA NVA 16 HA NVA 15 34.149 -2.942 0.638 93 HB2 NVA 16 HB1 NVA 15 31.248 -2.423 1.327 94 HB3 NVA 16 HB2 NVA 15 32.034 -3.990 1.210 95 HG2 NVA 16 HG1 NVA 15 32.521 -3.021 -1.263 96 HG3 NVA 16 HG2 NVA 15 30.975 -2.246 -0.904 97 HD1 NVA 16 HD1 NVA 15 30.280 -4.642 -0.145 98 HD2 NVA 16 HD2 NVA 15 31.630 -5.144 -1.163 99 HD3 NVA 16 HD3 NVA 15 30.294 -4.226 -1.858 100 HA PRO 17 HA PRO 16 34.576 1.254 -0.779 101 HB2 PRO 17 HB2 PRO 16 35.104 0.744 -3.391 102 HB3 PRO 17 HB1 PRO 16 36.289 0.492 -2.104 103 HG2 PRO 17 HG2 PRO 16 34.529 -1.501 -3.478 104 HG3 PRO 17 HG1 PRO 16 36.237 -1.640 -3.024 105 HD2 PRO 17 HD2 PRO 16 34.234 -2.751 -1.572 106 HD3 PRO 17 HD1 PRO 16 35.743 -2.172 -0.841 107 HA PRO 18 HA PRO 17 30.363 2.094 -2.100 108 HB2 PRO 18 HB2 PRO 17 30.842 4.758 -2.685 109 HB3 PRO 18 HB1 PRO 17 30.430 4.135 -1.085 110 HG2 PRO 18 HG2 PRO 17 33.110 4.810 -2.225 111 HG3 PRO 18 HG1 PRO 17 32.476 5.108 -0.596 112 HD2 PRO 18 HD2 PRO 17 34.175 3.100 -1.072 113 HD3 PRO 18 HD1 PRO 17 32.833 2.911 0.078 114 HA PRO 19 HA PRO 18 30.915 1.710 -6.511 115 HB2 PRO 19 HB2 PRO 18 28.317 1.772 -7.240 116 HB3 PRO 19 HB1 PRO 18 29.043 0.373 -6.442 117 HG2 PRO 19 HG2 PRO 18 27.365 2.558 -5.275 118 HG3 PRO 19 HG1 PRO 18 27.299 0.813 -4.972 119 HD2 PRO 19 HD2 PRO 18 28.528 2.577 -3.299 120 HD3 PRO 19 HD1 PRO 18 29.034 0.885 -3.469 121 H SER 20 HN SER 19 30.911 2.989 -8.347 122 HA SER 20 HA SER 19 29.942 5.753 -8.001 123 HB2 SER 20 HB2 SER 19 32.427 4.772 -9.425 124 HB3 SER 20 HB1 SER 19 31.833 6.432 -9.498 125 HG SER 20 HG SER 19 33.016 5.047 -7.379 126 HN1 NH2 21 H2 SER 19 28.539 6.465 -9.471 127 HN2 NH2 21 H1 SER 19 28.207 5.725 -10.996 Start of MODEL 3 1 H1 ACE 1 HA2 ALA 1 20.503 3.273 -7.907 2 H2 ACE 1 HA3 ALA 1 20.273 2.721 -6.242 3 H3 ACE 1 HA1 ALA 1 20.321 1.547 -7.566 4 H ALA 2 HN ALA 1 22.025 0.407 -6.619 5 HA ALA 2 HA ALA 1 24.202 -0.217 -6.477 6 HB1 ALA 2 HB2 ALA 1 25.580 2.141 -7.388 7 HB2 ALA 2 HB3 ALA 1 24.254 1.736 -8.476 8 HB3 ALA 2 HB1 ALA 1 25.495 0.537 -8.114 9 H TYR 3 HN TYR 2 24.387 3.321 -5.916 10 HA TYR 3 HA TYR 2 26.122 3.078 -3.705 11 HB2 TYR 3 HB2 TYR 2 25.804 5.134 -5.126 12 HB3 TYR 3 HB1 TYR 2 24.281 5.404 -4.284 13 HD1 TYR 3 HD1 TYR 2 27.914 5.587 -4.060 14 HD2 TYR 3 HD2 TYR 2 24.272 6.028 -1.903 15 HE1 TYR 3 HE1 TYR 2 29.118 6.799 -2.292 16 HE2 TYR 3 HE2 TYR 2 25.469 7.245 -0.130 17 HH TYR 3 HH TYR 2 28.039 8.713 -0.310 18 H ALA 4 HN ALA 3 22.601 3.389 -3.934 19 HA ALA 4 HA ALA 3 22.056 3.729 -1.201 20 HB1 ALA 4 HB1 ALA 3 20.384 2.499 -3.387 21 HB2 ALA 4 HB2 ALA 3 20.358 4.172 -2.830 22 HB3 ALA 4 HB3 ALA 3 19.785 2.883 -1.773 23 H GLN 5 HN GLN 4 22.409 0.794 -3.166 24 HA GLN 5 HA GLN 4 21.713 -1.059 -1.146 25 HB2 GLN 5 HB2 GLN 4 22.443 -1.181 -3.848 26 HB3 GLN 5 HB1 GLN 4 23.688 -2.094 -3.005 27 HG2 GLN 5 HG2 GLN 4 22.077 -3.678 -3.558 28 HG3 GLN 5 HG1 GLN 4 21.775 -3.325 -1.858 29 HE21 GLN 5 HE21 GLN 4 19.660 -3.512 -1.558 30 HE22 GLN 5 HE22 GLN 4 18.436 -2.781 -2.532 31 H TRP 6 HN TRP 5 24.738 0.485 -2.064 32 HA TRP 6 HA TRP 5 26.547 -1.043 -0.585 33 HB2 TRP 6 HB2 TRP 5 27.368 0.535 -2.189 34 HB3 TRP 6 HB1 TRP 5 26.573 1.874 -1.374 35 HD1 TRP 6 HD1 TRP 5 29.434 -0.651 -0.672 36 HE1 TRP 6 HE1 TRP 5 31.197 0.542 0.772 37 HE3 TRP 6 HE3 TRP 5 27.049 3.823 0.006 38 HZ2 TRP 6 HZ2 TRP 5 31.539 3.039 2.031 39 HZ3 TRP 6 HZ3 TRP 5 28.165 5.561 1.344 40 HH2 TRP 6 HH2 TRP 5 30.366 5.173 2.334 41 H LEU 7 HN LEU 6 24.573 1.743 0.371 42 HA LEU 7 HA LEU 6 25.634 2.020 2.982 43 HB2 LEU 7 HB2 LEU 6 23.023 2.874 1.746 44 HB3 LEU 7 HB1 LEU 6 23.435 3.231 3.412 45 HG LEU 7 HG LEU 6 25.036 4.138 1.017 46 HD11 LEU 7 HD11 LEU 6 22.769 5.344 2.500 47 HD12 LEU 7 HD12 LEU 6 23.215 5.480 0.798 48 HD13 LEU 7 HD13 LEU 6 24.093 6.404 2.018 49 HD21 LEU 7 HD21 LEU 6 26.160 5.595 2.638 50 HD22 LEU 7 HD22 LEU 6 26.387 3.891 3.028 51 HD23 LEU 7 HD23 LEU 6 25.230 4.857 3.942 52 H ALA 8 HN ALA 7 23.013 0.086 1.637 53 HA ALA 8 HA ALA 7 21.760 -0.708 4.011 54 HB1 ALA 8 HB1 ALA 7 20.692 -2.384 2.744 55 HB2 ALA 8 HB2 ALA 7 22.014 -2.457 1.578 56 HB3 ALA 8 HB3 ALA 7 20.959 -1.044 1.628 57 H ASP 9 HN ASP 8 24.626 -1.988 2.383 58 HA ASP 9 HA ASP 8 24.840 -4.314 4.036 59 HB2 ASP 9 HB2 ASP 8 27.127 -3.073 2.514 60 HB3 ASP 9 HB1 ASP 8 26.883 -4.764 2.930 61 H DAL 10 HN DAL 9 25.548 -1.025 4.575 62 HA DAL 10 HA DAL 9 27.355 -1.722 6.795 63 HB1 DAL 10 HB1 DAL 9 26.265 0.220 8.010 64 HB2 DAL 10 HB2 DAL 9 25.292 -1.238 7.814 65 HB3 DAL 10 HB3 DAL 9 25.010 0.156 6.772 66 H GLY 11 HN GLY 10 27.488 -0.349 3.904 67 HA2 GLY 11 HA2 GLY 10 28.743 1.285 2.906 68 HA3 GLY 11 HA1 GLY 10 28.506 2.250 4.355 69 HA PRO 12 HA PRO 11 32.991 1.709 4.511 70 HB2 PRO 12 HB2 PRO 11 32.707 3.353 6.950 71 HB3 PRO 12 HB1 PRO 11 33.689 3.635 5.508 72 HG2 PRO 12 HG2 PRO 11 31.489 5.079 5.999 73 HG3 PRO 12 HG1 PRO 11 31.950 4.619 4.350 74 HD2 PRO 12 HD2 PRO 11 29.859 3.434 6.136 75 HD3 PRO 12 HD1 PRO 11 29.799 3.761 4.391 76 H ALA 13 HN ALA 12 30.672 1.117 7.088 77 HA ALA 13 HA ALA 12 32.451 -0.053 8.948 78 HB1 ALA 13 HB1 ALA 12 29.472 -0.338 8.601 79 HB2 ALA 13 HB2 ALA 12 30.331 0.729 9.712 80 HB3 ALA 13 HB3 ALA 12 30.377 -1.017 9.954 81 H SER 14 HN SER 13 30.582 -1.419 6.264 82 HA SER 14 HA SER 13 31.083 -4.137 6.932 83 HB2 SER 14 HB2 SER 13 30.254 -4.648 4.683 84 HB3 SER 14 HB1 SER 13 29.212 -3.471 5.481 85 HG SER 14 HG SER 13 29.680 -2.077 3.983 86 H DAL 15 HN DAL 14 32.943 -1.714 5.275 87 HA DAL 15 HA DAL 14 35.164 -3.574 5.042 88 HB1 DAL 15 HB1 DAL 14 35.602 -1.388 6.001 89 HB2 DAL 15 HB2 DAL 14 35.019 -0.603 4.532 90 HB3 DAL 15 HB3 DAL 14 36.490 -1.577 4.489 91 H NVA 16 HN NVA 15 33.032 -1.693 2.962 92 HA NVA 16 HA NVA 15 34.274 -2.942 0.601 93 HB2 NVA 16 HB1 NVA 15 31.324 -2.498 1.118 94 HB3 NVA 16 HB2 NVA 15 32.152 -4.047 1.139 95 HG2 NVA 16 HG1 NVA 15 32.316 -2.420 -1.342 96 HG3 NVA 16 HG2 NVA 15 30.792 -3.230 -0.965 97 HD1 NVA 16 HD1 NVA 15 33.492 -4.542 -1.215 98 HD2 NVA 16 HD2 NVA 15 32.171 -4.635 -2.379 99 HD3 NVA 16 HD3 NVA 15 31.993 -5.364 -0.783 100 HA PRO 17 HA PRO 16 34.618 1.258 -0.806 101 HB2 PRO 17 HB2 PRO 16 35.180 0.776 -3.416 102 HB3 PRO 17 HB1 PRO 16 36.355 0.530 -2.119 103 HG2 PRO 17 HG2 PRO 16 34.631 -1.477 -3.519 104 HG3 PRO 17 HG1 PRO 16 36.340 -1.595 -3.063 105 HD2 PRO 17 HD2 PRO 16 34.358 -2.749 -1.620 106 HD3 PRO 17 HD1 PRO 16 35.851 -2.139 -0.880 107 HA PRO 18 HA PRO 17 30.388 2.036 -2.114 108 HB2 PRO 18 HB2 PRO 17 30.864 4.704 -2.736 109 HB3 PRO 18 HB1 PRO 17 30.409 4.092 -1.144 110 HG2 PRO 18 HG2 PRO 17 33.115 4.774 -2.211 111 HG3 PRO 18 HG1 PRO 17 32.439 5.066 -0.597 112 HD2 PRO 18 HD2 PRO 17 34.162 3.071 -1.021 113 HD3 PRO 18 HD1 PRO 17 32.781 2.863 0.077 114 HA PRO 19 HA PRO 18 30.951 1.664 -6.527 115 HB2 PRO 19 HB2 PRO 18 28.360 1.469 -7.228 116 HB3 PRO 19 HB1 PRO 18 29.204 0.162 -6.390 117 HG2 PRO 19 HG2 PRO 18 27.331 2.216 -5.293 118 HG3 PRO 19 HG1 PRO 18 27.443 0.488 -4.918 119 HD2 PRO 19 HD2 PRO 18 28.511 2.475 -3.352 120 HD3 PRO 19 HD1 PRO 18 29.113 0.808 -3.389 121 H SER 20 HN SER 19 31.358 3.214 -7.970 122 HA SER 20 HA SER 19 29.487 5.419 -8.339 123 HB2 SER 20 HB2 SER 19 32.378 5.793 -7.536 124 HB3 SER 20 HB1 SER 19 31.421 7.066 -8.295 125 HG SER 20 HG SER 19 30.109 7.138 -6.538 126 HN1 NH2 21 H2 SER 19 29.186 5.737 -10.440 127 HN2 NH2 21 H1 SER 19 30.292 5.329 -11.702 Start of MODEL 4 1 H1 ACE 1 HA2 ALA 1 19.802 1.074 -7.132 2 H2 ACE 1 HA3 ALA 1 20.710 2.575 -7.370 3 H3 ACE 1 HA1 ALA 1 19.908 2.261 -5.824 4 H ALA 2 HN ALA 1 22.751 1.890 -7.663 5 HA ALA 2 HA ALA 1 23.905 -0.319 -6.296 6 HB1 ALA 2 HB2 ALA 1 24.747 0.317 -8.458 7 HB2 ALA 2 HB3 ALA 1 26.040 0.487 -7.271 8 HB3 ALA 2 HB1 ALA 1 25.190 1.915 -7.861 9 H TYR 3 HN TYR 2 24.303 3.207 -5.922 10 HA TYR 3 HA TYR 2 26.095 3.048 -3.737 11 HB2 TYR 3 HB2 TYR 2 25.728 5.057 -5.229 12 HB3 TYR 3 HB1 TYR 2 24.232 5.347 -4.346 13 HD1 TYR 3 HD1 TYR 2 27.859 5.581 -4.268 14 HD2 TYR 3 HD2 TYR 2 24.304 5.992 -1.964 15 HE1 TYR 3 HE1 TYR 2 29.112 6.841 -2.569 16 HE2 TYR 3 HE2 TYR 2 25.552 7.252 -0.258 17 HH TYR 3 HH TYR 2 28.709 7.235 0.101 18 H ALA 4 HN ALA 3 22.568 3.361 -3.937 19 HA ALA 4 HA ALA 3 22.060 3.759 -1.203 20 HB1 ALA 4 HB1 ALA 3 19.776 2.990 -1.710 21 HB2 ALA 4 HB2 ALA 3 20.325 2.456 -3.299 22 HB3 ALA 4 HB3 ALA 3 20.363 4.170 -2.881 23 H GLN 5 HN GLN 4 22.392 0.800 -3.125 24 HA GLN 5 HA GLN 4 21.698 -1.020 -1.072 25 HB2 GLN 5 HB2 GLN 4 21.833 -1.498 -3.563 26 HB3 GLN 5 HB1 GLN 4 23.579 -1.573 -3.371 27 HG2 GLN 5 HG2 GLN 4 22.357 -3.240 -1.406 28 HG3 GLN 5 HG1 GLN 4 21.686 -3.622 -2.991 29 HE21 GLN 5 HE21 GLN 4 22.748 -5.119 -4.073 30 HE22 GLN 5 HE22 GLN 4 24.429 -5.485 -3.924 31 H TRP 6 HN TRP 5 24.741 0.471 -2.056 32 HA TRP 6 HA TRP 5 26.546 -1.042 -0.571 33 HB2 TRP 6 HB2 TRP 5 27.373 0.528 -2.179 34 HB3 TRP 6 HB1 TRP 5 26.582 1.873 -1.368 35 HD1 TRP 6 HD1 TRP 5 29.425 -0.669 -0.635 36 HE1 TRP 6 HE1 TRP 5 31.191 0.519 0.804 37 HE3 TRP 6 HE3 TRP 5 27.083 3.835 -0.020 38 HZ2 TRP 6 HZ2 TRP 5 31.551 3.027 2.037 39 HZ3 TRP 6 HZ3 TRP 5 28.212 5.576 1.305 40 HH2 TRP 6 HH2 TRP 5 30.399 5.176 2.312 41 H LEU 7 HN LEU 6 24.627 1.789 0.386 42 HA LEU 7 HA LEU 6 25.692 2.047 2.994 43 HB2 LEU 7 HB2 LEU 6 23.067 2.918 1.793 44 HB3 LEU 7 HB1 LEU 6 23.534 3.300 3.440 45 HG LEU 7 HG LEU 6 25.096 4.136 0.997 46 HD11 LEU 7 HD11 LEU 6 22.867 5.424 2.486 47 HD12 LEU 7 HD12 LEU 6 23.234 5.441 0.761 48 HD13 LEU 7 HD13 LEU 6 24.173 6.437 1.873 49 HD21 LEU 7 HD21 LEU 6 26.465 3.955 2.995 50 HD22 LEU 7 HD22 LEU 6 25.307 4.929 3.900 51 HD23 LEU 7 HD23 LEU 6 26.220 5.650 2.576 52 H ALA 8 HN ALA 7 23.022 0.167 1.664 53 HA ALA 8 HA ALA 7 21.795 -0.621 4.056 54 HB1 ALA 8 HB1 ALA 7 20.576 -2.131 2.792 55 HB2 ALA 8 HB2 ALA 7 21.912 -2.440 1.684 56 HB3 ALA 8 HB3 ALA 7 21.030 -0.915 1.599 57 H ASP 9 HN ASP 8 24.606 -1.928 2.365 58 HA ASP 9 HA ASP 8 24.780 -4.300 3.955 59 HB2 ASP 9 HB2 ASP 8 27.135 -3.122 2.502 60 HB3 ASP 9 HB1 ASP 8 26.740 -4.813 2.777 61 H DAL 10 HN DAL 9 25.599 -1.037 4.544 62 HA DAL 10 HA DAL 9 27.418 -1.813 6.725 63 HB1 DAL 10 HB1 DAL 9 26.357 -0.082 8.127 64 HB2 DAL 10 HB2 DAL 9 25.247 -1.376 7.677 65 HB3 DAL 10 HB3 DAL 9 25.163 0.183 6.856 66 H GLY 11 HN GLY 10 27.586 -0.416 3.896 67 HA2 GLY 11 HA2 GLY 10 28.774 1.296 2.933 68 HA3 GLY 11 HA1 GLY 10 28.540 2.212 4.412 69 HA PRO 12 HA PRO 11 33.038 1.727 4.475 70 HB2 PRO 12 HB2 PRO 11 32.768 3.372 6.918 71 HB3 PRO 12 HB1 PRO 11 33.725 3.664 5.463 72 HG2 PRO 12 HG2 PRO 11 31.514 5.081 5.985 73 HG3 PRO 12 HG1 PRO 11 31.958 4.627 4.329 74 HD2 PRO 12 HD2 PRO 11 29.908 3.415 6.143 75 HD3 PRO 12 HD1 PRO 11 29.820 3.739 4.399 76 H ALA 13 HN ALA 12 30.764 1.108 7.086 77 HA ALA 13 HA ALA 12 32.603 -0.062 8.901 78 HB1 ALA 13 HB1 ALA 12 30.581 0.703 9.821 79 HB2 ALA 13 HB2 ALA 12 30.497 -1.056 9.917 80 HB3 ALA 13 HB3 ALA 12 29.611 -0.198 8.655 81 H SER 14 HN SER 13 30.603 -1.402 6.301 82 HA SER 14 HA SER 13 31.039 -4.128 6.924 83 HB2 SER 14 HB2 SER 13 30.161 -4.607 4.715 84 HB3 SER 14 HB1 SER 13 29.216 -3.309 5.438 85 HG SER 14 HG SER 13 30.031 -1.906 4.032 86 H DAL 15 HN DAL 14 32.966 -1.763 5.239 87 HA DAL 15 HA DAL 14 35.131 -3.697 5.012 88 HB1 DAL 15 HB1 DAL 14 36.541 -1.762 4.527 89 HB2 DAL 15 HB2 DAL 14 35.606 -1.514 6.002 90 HB3 DAL 15 HB3 DAL 14 35.117 -0.723 4.503 91 H NVA 16 HN NVA 15 33.032 -1.757 2.962 92 HA NVA 16 HA NVA 15 34.259 -2.981 0.580 93 HB2 NVA 16 HB1 NVA 15 31.312 -2.530 1.111 94 HB3 NVA 16 HB2 NVA 15 32.131 -4.084 1.115 95 HG2 NVA 16 HG1 NVA 15 32.287 -2.424 -1.348 96 HG3 NVA 16 HG2 NVA 15 30.772 -3.254 -0.977 97 HD1 NVA 16 HD1 NVA 15 33.485 -4.525 -1.279 98 HD2 NVA 16 HD2 NVA 15 32.135 -4.640 -2.407 99 HD3 NVA 16 HD3 NVA 15 32.015 -5.377 -0.809 100 HA PRO 17 HA PRO 16 34.589 1.241 -0.761 101 HB2 PRO 17 HB2 PRO 16 35.177 0.803 -3.370 102 HB3 PRO 17 HB1 PRO 16 36.341 0.534 -2.068 103 HG2 PRO 17 HG2 PRO 16 34.633 -1.447 -3.523 104 HG3 PRO 17 HG1 PRO 16 36.337 -1.574 -3.048 105 HD2 PRO 17 HD2 PRO 16 34.326 -2.749 -1.653 106 HD3 PRO 17 HD1 PRO 16 35.820 -2.173 -0.888 107 HA PRO 18 HA PRO 17 30.379 2.012 -2.121 108 HB2 PRO 18 HB2 PRO 17 30.817 4.691 -2.676 109 HB3 PRO 18 HB1 PRO 17 30.381 4.044 -1.092 110 HG2 PRO 18 HG2 PRO 17 33.068 4.793 -2.163 111 HG3 PRO 18 HG1 PRO 17 32.394 5.040 -0.540 112 HD2 PRO 18 HD2 PRO 17 34.151 3.084 -1.030 113 HD3 PRO 18 HD1 PRO 17 32.800 2.844 0.098 114 HA PRO 19 HA PRO 18 30.995 1.715 -6.530 115 HB2 PRO 19 HB2 PRO 18 28.409 1.661 -7.289 116 HB3 PRO 19 HB1 PRO 18 29.183 0.292 -6.483 117 HG2 PRO 19 HG2 PRO 18 27.388 2.395 -5.343 118 HG3 PRO 19 HG1 PRO 18 27.403 0.649 -5.036 119 HD2 PRO 19 HD2 PRO 18 28.525 2.493 -3.359 120 HD3 PRO 19 HD1 PRO 18 29.086 0.815 -3.488 121 H SER 20 HN SER 19 31.338 3.180 -8.094 122 HA SER 20 HA SER 19 30.150 5.847 -7.774 123 HB2 SER 20 HB2 SER 19 32.708 4.859 -8.993 124 HB3 SER 20 HB1 SER 19 32.037 6.410 -9.498 125 HG SER 20 HG SER 19 33.576 6.234 -7.575 126 HN1 NH2 21 H2 SER 19 28.524 6.353 -9.068 127 HN2 NH2 21 H1 SER 19 28.254 5.743 -10.661 Start of MODEL 5 1 H1 ACE 1 HA2 ALA 1 19.730 1.021 -7.291 2 H2 ACE 1 HA3 ALA 1 20.629 2.543 -7.367 3 H3 ACE 1 HA1 ALA 1 19.749 2.107 -5.894 4 H ALA 2 HN ALA 1 22.671 1.813 -7.662 5 HA ALA 2 HA ALA 1 23.752 -0.429 -6.257 6 HB1 ALA 2 HB2 ALA 1 25.954 0.818 -7.182 7 HB2 ALA 2 HB3 ALA 1 24.731 1.525 -8.237 8 HB3 ALA 2 HB1 ALA 1 24.931 -0.226 -8.171 9 H TYR 3 HN TYR 2 24.245 3.099 -5.992 10 HA TYR 3 HA TYR 2 26.051 2.983 -3.828 11 HB2 TYR 3 HB2 TYR 2 25.640 4.971 -5.334 12 HB3 TYR 3 HB1 TYR 2 24.158 5.261 -4.429 13 HD1 TYR 3 HD1 TYR 2 27.777 5.554 -4.433 14 HD2 TYR 3 HD2 TYR 2 24.275 5.911 -2.041 15 HE1 TYR 3 HE1 TYR 2 29.050 6.844 -2.773 16 HE2 TYR 3 HE2 TYR 2 25.543 7.203 -0.373 17 HH TYR 3 HH TYR 2 28.657 7.233 -0.046 18 H ALA 4 HN ALA 3 22.519 3.277 -3.959 19 HA ALA 4 HA ALA 3 22.064 3.693 -1.218 20 HB1 ALA 4 HB1 ALA 3 19.786 3.102 -1.645 21 HB2 ALA 4 HB2 ALA 3 20.230 2.244 -3.120 22 HB3 ALA 4 HB3 ALA 3 20.386 3.998 -3.040 23 H GLN 5 HN GLN 4 22.414 0.727 -3.122 24 HA GLN 5 HA GLN 4 21.753 -1.101 -1.072 25 HB2 GLN 5 HB2 GLN 4 22.419 -1.279 -3.757 26 HB3 GLN 5 HB1 GLN 4 23.768 -2.070 -2.954 27 HG2 GLN 5 HG2 GLN 4 22.504 -3.800 -2.219 28 HG3 GLN 5 HG1 GLN 4 21.043 -2.823 -2.081 29 HE21 GLN 5 HE21 GLN 4 19.850 -2.354 -3.997 30 HE22 GLN 5 HE22 GLN 4 19.959 -3.393 -5.374 31 H TRP 6 HN TRP 5 24.783 0.416 -2.059 32 HA TRP 6 HA TRP 5 26.600 -1.025 -0.526 33 HB2 TRP 6 HB2 TRP 5 27.392 0.540 -2.166 34 HB3 TRP 6 HB1 TRP 5 26.590 1.881 -1.359 35 HD1 TRP 6 HD1 TRP 5 29.470 -0.621 -0.635 36 HE1 TRP 6 HE1 TRP 5 31.229 0.596 0.790 37 HE3 TRP 6 HE3 TRP 5 27.071 3.853 -0.020 38 HZ2 TRP 6 HZ2 TRP 5 31.563 3.110 2.013 39 HZ3 TRP 6 HZ3 TRP 5 28.185 5.613 1.294 40 HH2 TRP 6 HH2 TRP 5 30.386 5.244 2.288 41 H LEU 7 HN LEU 6 24.623 1.789 0.372 42 HA LEU 7 HA LEU 6 25.668 2.097 2.984 43 HB2 LEU 7 HB2 LEU 6 23.048 2.923 1.744 44 HB3 LEU 7 HB1 LEU 6 23.477 3.315 3.397 45 HG LEU 7 HG LEU 6 25.063 4.173 0.977 46 HD11 LEU 7 HD11 LEU 6 23.071 5.369 0.803 47 HD12 LEU 7 HD12 LEU 6 24.138 6.453 1.695 48 HD13 LEU 7 HD13 LEU 6 22.905 5.529 2.551 49 HD21 LEU 7 HD21 LEU 6 26.135 5.709 2.592 50 HD22 LEU 7 HD22 LEU 6 26.438 4.011 2.956 51 HD23 LEU 7 HD23 LEU 6 25.251 4.915 3.895 52 H ALA 8 HN ALA 7 22.977 0.214 1.673 53 HA ALA 8 HA ALA 7 21.814 -0.592 4.098 54 HB1 ALA 8 HB1 ALA 7 20.530 -0.937 2.170 55 HB2 ALA 8 HB2 ALA 7 20.981 -2.559 2.697 56 HB3 ALA 8 HB3 ALA 7 21.830 -1.801 1.351 57 H ASP 9 HN ASP 8 24.556 -1.877 2.287 58 HA ASP 9 HA ASP 8 24.792 -4.282 3.811 59 HB2 ASP 9 HB2 ASP 8 27.001 -2.961 2.228 60 HB3 ASP 9 HB1 ASP 8 26.840 -4.662 2.642 61 H DAL 10 HN DAL 9 25.589 -1.029 4.486 62 HA DAL 10 HA DAL 9 27.457 -1.857 6.606 63 HB1 DAL 10 HB1 DAL 9 25.074 -1.321 7.340 64 HB2 DAL 10 HB2 DAL 9 25.467 0.357 6.968 65 HB3 DAL 10 HB3 DAL 9 26.389 -0.514 8.193 66 H GLY 11 HN GLY 10 27.592 -0.391 3.814 67 HA2 GLY 11 HA2 GLY 10 28.817 1.304 2.876 68 HA3 GLY 11 HA1 GLY 10 28.507 2.232 4.333 69 HA PRO 12 HA PRO 11 33.009 1.845 4.568 70 HB2 PRO 12 HB2 PRO 11 32.630 3.542 6.956 71 HB3 PRO 12 HB1 PRO 11 33.618 3.825 5.519 72 HG2 PRO 12 HG2 PRO 11 31.358 5.197 5.955 73 HG3 PRO 12 HG1 PRO 11 31.859 4.722 4.321 74 HD2 PRO 12 HD2 PRO 11 29.791 3.492 6.104 75 HD3 PRO 12 HD1 PRO 11 29.742 3.785 4.353 76 H ALA 13 HN ALA 12 30.648 1.215 7.090 77 HA ALA 13 HA ALA 12 32.440 0.157 9.017 78 HB1 ALA 13 HB1 ALA 12 30.097 0.999 9.435 79 HB2 ALA 13 HB2 ALA 12 30.535 -0.509 10.236 80 HB3 ALA 13 HB3 ALA 12 29.524 -0.540 8.793 81 H SER 14 HN SER 13 30.633 -1.319 6.351 82 HA SER 14 HA SER 13 31.186 -4.008 7.129 83 HB2 SER 14 HB2 SER 13 30.412 -4.591 4.838 84 HB3 SER 14 HB1 SER 13 29.286 -3.545 5.698 85 HG SER 14 HG SER 13 30.214 -3.115 3.346 86 H DAL 15 HN DAL 14 32.994 -1.597 5.414 87 HA DAL 15 HA DAL 14 35.229 -3.443 5.173 88 HB1 DAL 15 HB1 DAL 14 35.076 -0.475 4.649 89 HB2 DAL 15 HB2 DAL 14 36.547 -1.448 4.641 90 HB3 DAL 15 HB3 DAL 14 35.634 -1.242 6.135 91 H NVA 16 HN NVA 15 33.016 -1.644 3.121 92 HA NVA 16 HA NVA 15 34.264 -2.865 0.747 93 HB2 NVA 16 HB1 NVA 15 31.320 -2.425 1.294 94 HB3 NVA 16 HB2 NVA 15 32.150 -3.974 1.308 95 HG2 NVA 16 HG1 NVA 15 32.609 -3.775 -1.073 96 HG3 NVA 16 HG2 NVA 15 31.824 -2.192 -1.102 97 HD1 NVA 16 HD1 NVA 15 29.838 -3.615 -0.043 98 HD2 NVA 16 HD2 NVA 15 30.641 -4.898 -0.950 99 HD3 NVA 16 HD3 NVA 15 30.069 -3.453 -1.783 100 HA PRO 17 HA PRO 16 34.495 1.334 -0.681 101 HB2 PRO 17 HB2 PRO 16 35.145 0.880 -3.258 102 HB3 PRO 17 HB1 PRO 16 36.283 0.601 -1.936 103 HG2 PRO 17 HG2 PRO 16 34.599 -1.367 -3.432 104 HG3 PRO 17 HG1 PRO 16 36.289 -1.504 -2.915 105 HD2 PRO 17 HD2 PRO 16 34.206 -2.652 -1.575 106 HD3 PRO 17 HD1 PRO 16 35.715 -2.147 -0.789 107 HA PRO 18 HA PRO 17 30.318 2.061 -2.141 108 HB2 PRO 18 HB2 PRO 17 30.769 4.700 -2.857 109 HB3 PRO 18 HB1 PRO 17 30.338 4.153 -1.234 110 HG2 PRO 18 HG2 PRO 17 33.026 4.810 -2.363 111 HG3 PRO 18 HG1 PRO 17 32.359 5.179 -0.761 112 HD2 PRO 18 HD2 PRO 17 34.095 3.176 -1.103 113 HD3 PRO 18 HD1 PRO 17 32.734 3.024 0.029 114 HA PRO 19 HA PRO 18 30.939 1.473 -6.519 115 HB2 PRO 19 HB2 PRO 18 28.354 1.490 -7.302 116 HB3 PRO 19 HB1 PRO 18 29.068 0.136 -6.419 117 HG2 PRO 19 HG2 PRO 18 27.351 2.364 -5.407 118 HG3 PRO 19 HG1 PRO 18 27.300 0.638 -5.003 119 HD2 PRO 19 HD2 PRO 18 28.480 2.525 -3.422 120 HD3 PRO 19 HD1 PRO 18 28.986 0.826 -3.459 121 H SER 20 HN SER 19 31.270 2.771 -8.240 122 HA SER 20 HA SER 19 29.850 5.338 -8.392 123 HB2 SER 20 HB2 SER 19 32.840 4.925 -8.441 124 HB3 SER 20 HB1 SER 19 32.079 6.367 -9.112 125 HG SER 20 HG SER 19 32.286 5.531 -6.451 126 HN1 NH2 21 H2 SER 19 28.855 5.396 -10.286 127 HN2 NH2 21 H1 SER 19 29.451 4.756 -11.776 Start of MODEL 6 1 H1 ACE 1 HA2 ALA 1 19.556 1.069 -6.440 2 H2 ACE 1 HA3 ALA 1 20.454 1.953 -7.682 3 H3 ACE 1 HA1 ALA 1 20.240 2.659 -6.073 4 H ALA 2 HN ALA 1 22.702 2.050 -7.581 5 HA ALA 2 HA ALA 1 23.952 -0.214 -6.368 6 HB1 ALA 2 HB2 ALA 1 25.371 2.120 -7.632 7 HB2 ALA 2 HB3 ALA 1 24.598 0.842 -8.571 8 HB3 ALA 2 HB1 ALA 1 25.930 0.454 -7.482 9 H TYR 3 HN TYR 2 24.326 3.308 -5.885 10 HA TYR 3 HA TYR 2 26.101 3.088 -3.693 11 HB2 TYR 3 HB2 TYR 2 25.745 5.139 -5.118 12 HB3 TYR 3 HB1 TYR 2 24.230 5.395 -4.259 13 HD1 TYR 3 HD1 TYR 2 27.869 5.582 -4.063 14 HD2 TYR 3 HD2 TYR 2 24.236 6.050 -1.895 15 HE1 TYR 3 HE1 TYR 2 29.079 6.808 -2.309 16 HE2 TYR 3 HE2 TYR 2 25.441 7.278 -0.137 17 HH TYR 3 HH TYR 2 27.977 8.744 -0.320 18 H ALA 4 HN ALA 3 22.576 3.379 -3.901 19 HA ALA 4 HA ALA 3 22.046 3.712 -1.162 20 HB1 ALA 4 HB1 ALA 3 20.357 2.477 -3.333 21 HB2 ALA 4 HB2 ALA 3 20.341 4.155 -2.793 22 HB3 ALA 4 HB3 ALA 3 19.772 2.878 -1.717 23 H GLN 5 HN GLN 4 22.444 0.794 -3.135 24 HA GLN 5 HA GLN 4 21.743 -1.069 -1.117 25 HB2 GLN 5 HB2 GLN 4 22.928 -1.161 -3.802 26 HB3 GLN 5 HB1 GLN 4 23.507 -2.429 -2.732 27 HG2 GLN 5 HG2 GLN 4 21.142 -3.030 -2.263 28 HG3 GLN 5 HG1 GLN 4 20.652 -1.854 -3.481 29 HE21 GLN 5 HE21 GLN 4 21.742 -5.020 -2.888 30 HE22 GLN 5 HE22 GLN 4 21.879 -5.535 -4.532 31 H TRP 6 HN TRP 5 24.774 0.458 -2.069 32 HA TRP 6 HA TRP 5 26.581 -1.050 -0.580 33 HB2 TRP 6 HB2 TRP 5 27.409 0.523 -2.182 34 HB3 TRP 6 HB1 TRP 5 26.599 1.863 -1.382 35 HD1 TRP 6 HD1 TRP 5 29.468 -0.645 -0.629 36 HE1 TRP 6 HE1 TRP 5 31.210 0.569 0.823 37 HE3 TRP 6 HE3 TRP 5 27.061 3.826 -0.028 38 HZ2 TRP 6 HZ2 TRP 5 31.526 3.080 2.058 39 HZ3 TRP 6 HZ3 TRP 5 28.157 5.584 1.304 40 HH2 TRP 6 HH2 TRP 5 30.343 5.213 2.325 41 H LEU 7 HN LEU 6 24.606 1.740 0.375 42 HA LEU 7 HA LEU 6 25.666 2.011 2.988 43 HB2 LEU 7 HB2 LEU 6 23.044 2.862 1.770 44 HB3 LEU 7 HB1 LEU 6 23.483 3.230 3.426 45 HG LEU 7 HG LEU 6 25.045 4.121 1.003 46 HD11 LEU 7 HD11 LEU 6 22.776 5.309 2.477 47 HD12 LEU 7 HD12 LEU 6 23.255 5.486 0.789 48 HD13 LEU 7 HD13 LEU 6 24.101 6.389 2.045 49 HD21 LEU 7 HD21 LEU 6 26.184 5.594 2.608 50 HD22 LEU 7 HD22 LEU 6 26.432 3.890 2.986 51 HD23 LEU 7 HD23 LEU 6 25.281 4.843 3.924 52 H ALA 8 HN ALA 7 22.985 0.142 1.649 53 HA ALA 8 HA ALA 7 21.785 -0.683 4.038 54 HB1 ALA 8 HB1 ALA 7 20.404 -1.305 2.384 55 HB2 ALA 8 HB2 ALA 7 21.342 -2.798 2.384 56 HB3 ALA 8 HB3 ALA 7 21.719 -1.520 1.231 57 H ASP 9 HN ASP 8 24.583 -1.965 2.306 58 HA ASP 9 HA ASP 8 24.795 -4.348 3.868 59 HB2 ASP 9 HB2 ASP 8 27.063 -3.064 2.346 60 HB3 ASP 9 HB1 ASP 8 26.835 -4.765 2.728 61 H DAL 10 HN DAL 9 25.567 -1.086 4.511 62 HA DAL 10 HA DAL 9 27.402 -1.877 6.675 63 HB1 DAL 10 HB1 DAL 9 25.033 -0.034 6.799 64 HB2 DAL 10 HB2 DAL 9 26.307 -0.031 8.018 65 HB3 DAL 10 HB3 DAL 9 25.345 -1.485 7.751 66 H GLY 11 HN GLY 10 27.549 -0.432 3.865 67 HA2 GLY 11 HA2 GLY 10 28.742 1.287 2.925 68 HA3 GLY 11 HA1 GLY 10 28.476 2.195 4.404 69 HA PRO 12 HA PRO 11 32.980 1.775 4.522 70 HB2 PRO 12 HB2 PRO 11 32.657 3.415 6.960 71 HB3 PRO 12 HB1 PRO 11 33.623 3.724 5.514 72 HG2 PRO 12 HG2 PRO 11 31.383 5.102 6.019 73 HG3 PRO 12 HG1 PRO 11 31.851 4.661 4.367 74 HD2 PRO 12 HD2 PRO 11 29.803 3.411 6.157 75 HD3 PRO 12 HD1 PRO 11 29.728 3.738 4.413 76 H ALA 13 HN ALA 12 30.680 1.109 7.093 77 HA ALA 13 HA ALA 12 32.515 -0.014 8.943 78 HB1 ALA 13 HB1 ALA 12 29.533 -0.154 8.658 79 HB2 ALA 13 HB2 ALA 12 30.496 0.692 9.870 80 HB3 ALA 13 HB3 ALA 12 30.387 -1.068 9.901 81 H SER 14 HN SER 13 30.546 -1.428 6.348 82 HA SER 14 HA SER 13 31.067 -4.131 7.011 83 HB2 SER 14 HB2 SER 13 30.260 -4.641 4.737 84 HB3 SER 14 HB1 SER 13 29.197 -3.505 5.564 85 HG SER 14 HG SER 13 30.902 -3.102 3.390 86 H DAL 15 HN DAL 14 32.921 -1.737 5.291 87 HA DAL 15 HA DAL 14 35.129 -3.621 5.068 88 HB1 DAL 15 HB1 DAL 14 35.570 -1.426 6.035 89 HB2 DAL 15 HB2 DAL 14 35.036 -0.650 4.544 90 HB3 DAL 15 HB3 DAL 14 36.486 -1.651 4.546 91 H NVA 16 HN NVA 15 33.027 -1.682 3.004 92 HA NVA 16 HA NVA 15 34.238 -2.945 0.634 93 HB2 NVA 16 HB1 NVA 15 31.293 -2.473 1.155 94 HB3 NVA 16 HB2 NVA 15 32.103 -4.031 1.182 95 HG2 NVA 16 HG1 NVA 15 32.241 -2.384 -1.299 96 HG3 NVA 16 HG2 NVA 15 30.756 -3.264 -0.921 97 HD1 NVA 16 HD1 NVA 15 32.764 -4.331 -2.322 98 HD2 NVA 16 HD2 NVA 15 31.702 -5.286 -1.287 99 HD3 NVA 16 HD3 NVA 15 33.284 -4.776 -0.697 100 HA PRO 17 HA PRO 16 34.591 1.255 -0.756 101 HB2 PRO 17 HB2 PRO 16 35.171 0.785 -3.360 102 HB3 PRO 17 HB1 PRO 16 36.334 0.513 -2.058 103 HG2 PRO 17 HG2 PRO 16 34.601 -1.462 -3.492 104 HG3 PRO 17 HG1 PRO 16 36.304 -1.603 -3.017 105 HD2 PRO 17 HD2 PRO 16 34.281 -2.740 -1.608 106 HD3 PRO 17 HD1 PRO 16 35.784 -2.178 -0.853 107 HA PRO 18 HA PRO 17 30.383 2.050 -2.117 108 HB2 PRO 18 HB2 PRO 17 30.835 4.725 -2.673 109 HB3 PRO 18 HB1 PRO 17 30.414 4.083 -1.083 110 HG2 PRO 18 HG2 PRO 17 33.098 4.796 -2.191 111 HG3 PRO 18 HG1 PRO 17 32.442 5.081 -0.567 112 HD2 PRO 18 HD2 PRO 17 34.167 3.094 -1.025 113 HD3 PRO 18 HD1 PRO 17 32.807 2.882 0.100 114 HA PRO 19 HA PRO 18 30.993 1.672 -6.525 115 HB2 PRO 19 HB2 PRO 18 28.396 1.814 -7.287 116 HB3 PRO 19 HB1 PRO 18 29.095 0.377 -6.533 117 HG2 PRO 19 HG2 PRO 18 27.444 2.549 -5.304 118 HG3 PRO 19 HG1 PRO 18 27.349 0.796 -5.058 119 HD2 PRO 19 HD2 PRO 18 28.580 2.465 -3.309 120 HD3 PRO 19 HD1 PRO 18 29.096 0.785 -3.562 121 H SER 20 HN SER 19 31.301 3.043 -8.203 122 HA SER 20 HA SER 19 30.247 5.783 -7.925 123 HB2 SER 20 HB2 SER 19 32.824 4.850 -9.218 124 HB3 SER 20 HB1 SER 19 32.245 6.516 -9.205 125 HG SER 20 HG SER 19 33.531 5.117 -7.265 126 HN1 NH2 21 H2 SER 19 28.402 4.478 -9.051 127 HN2 NH2 21 H1 SER 19 28.402 4.555 -10.778 Start of MODEL 7 1 H1 ACE 1 HA2 ALA 1 19.707 1.579 -7.049 2 H2 ACE 1 HA3 ALA 1 20.622 3.083 -7.223 3 H3 ACE 1 HA1 ALA 1 19.850 2.691 -5.680 4 H ALA 2 HN ALA 1 22.656 2.407 -7.589 5 HA ALA 2 HA ALA 1 23.826 0.111 -6.408 6 HB1 ALA 2 HB2 ALA 1 24.587 1.065 -8.542 7 HB2 ALA 2 HB3 ALA 1 25.908 0.877 -7.389 8 HB3 ALA 2 HB1 ALA 1 25.212 2.471 -7.678 9 H TYR 3 HN TYR 2 24.263 3.595 -5.749 10 HA TYR 3 HA TYR 2 26.054 3.263 -3.589 11 HB2 TYR 3 HB2 TYR 2 25.665 5.391 -4.888 12 HB3 TYR 3 HB1 TYR 2 24.158 5.581 -4.000 13 HD1 TYR 3 HD1 TYR 2 27.791 5.810 -3.839 14 HD2 TYR 3 HD2 TYR 2 24.185 6.082 -1.595 15 HE1 TYR 3 HE1 TYR 2 29.011 6.940 -2.028 16 HE2 TYR 3 HE2 TYR 2 25.398 7.215 0.221 17 HH TYR 3 HH TYR 2 28.143 8.685 -0.033 18 H ALA 4 HN ALA 3 22.524 3.529 -3.742 19 HA ALA 4 HA ALA 3 22.022 3.711 -0.986 20 HB1 ALA 4 HB1 ALA 3 20.320 2.557 -3.192 21 HB2 ALA 4 HB2 ALA 3 20.294 4.211 -2.582 22 HB3 ALA 4 HB3 ALA 3 19.752 2.884 -1.554 23 H GLN 5 HN GLN 4 22.388 0.895 -3.118 24 HA GLN 5 HA GLN 4 21.756 -1.074 -1.193 25 HB2 GLN 5 HB2 GLN 4 22.364 -1.074 -3.892 26 HB3 GLN 5 HB1 GLN 4 23.742 -1.900 -3.177 27 HG2 GLN 5 HG2 GLN 4 21.062 -2.748 -2.266 28 HG3 GLN 5 HG1 GLN 4 21.508 -3.151 -3.922 29 HE21 GLN 5 HE21 GLN 4 22.483 -5.031 -4.175 30 HE22 GLN 5 HE22 GLN 4 23.402 -5.871 -2.977 31 H TRP 6 HN TRP 5 24.766 0.535 -2.088 32 HA TRP 6 HA TRP 5 26.602 -1.019 -0.687 33 HB2 TRP 6 HB2 TRP 5 27.406 0.655 -2.194 34 HB3 TRP 6 HB1 TRP 5 26.563 1.934 -1.331 35 HD1 TRP 6 HD1 TRP 5 29.459 -0.567 -0.645 36 HE1 TRP 6 HE1 TRP 5 31.178 0.617 0.856 37 HE3 TRP 6 HE3 TRP 5 27.009 3.864 0.066 38 HZ2 TRP 6 HZ2 TRP 5 31.463 3.095 2.166 39 HZ3 TRP 6 HZ3 TRP 5 28.077 5.590 1.457 40 HH2 TRP 6 HH2 TRP 5 30.259 5.211 2.485 41 H LEU 7 HN LEU 6 24.629 1.720 0.424 42 HA LEU 7 HA LEU 6 25.671 1.854 3.046 43 HB2 LEU 7 HB2 LEU 6 23.028 2.711 1.881 44 HB3 LEU 7 HB1 LEU 6 23.468 3.006 3.552 45 HG LEU 7 HG LEU 6 24.989 4.050 1.162 46 HD11 LEU 7 HD11 LEU 6 23.139 5.368 1.067 47 HD12 LEU 7 HD12 LEU 6 24.040 6.248 2.303 48 HD13 LEU 7 HD13 LEU 6 22.750 5.141 2.772 49 HD21 LEU 7 HD21 LEU 6 26.434 3.752 3.070 50 HD22 LEU 7 HD22 LEU 6 25.272 4.562 4.120 51 HD23 LEU 7 HD23 LEU 6 26.100 5.471 2.857 52 H ALA 8 HN ALA 7 23.068 -0.036 1.603 53 HA ALA 8 HA ALA 7 21.862 -0.992 3.944 54 HB1 ALA 8 HB1 ALA 7 20.677 -2.432 2.599 55 HB2 ALA 8 HB2 ALA 7 22.042 -2.724 1.521 56 HB3 ALA 8 HB3 ALA 7 21.162 -1.198 1.436 57 H ASP 9 HN ASP 8 24.696 -2.137 2.170 58 HA ASP 9 HA ASP 8 24.983 -4.564 3.644 59 HB2 ASP 9 HB2 ASP 8 27.173 -3.117 2.146 60 HB3 ASP 9 HB1 ASP 8 27.080 -4.833 2.521 61 H DAL 10 HN DAL 9 25.635 -1.310 4.430 62 HA DAL 10 HA DAL 9 27.490 -2.122 6.571 63 HB1 DAL 10 HB1 DAL 9 24.918 -0.670 6.722 64 HB2 DAL 10 HB2 DAL 9 26.220 -0.101 7.766 65 HB3 DAL 10 HB3 DAL 9 25.671 -1.773 7.873 66 H GLY 11 HN GLY 10 27.590 -0.556 3.814 67 HA2 GLY 11 HA2 GLY 10 28.744 1.226 2.946 68 HA3 GLY 11 HA1 GLY 10 28.428 2.072 4.452 69 HA PRO 12 HA PRO 11 32.944 1.804 4.596 70 HB2 PRO 12 HB2 PRO 11 32.554 3.391 7.058 71 HB3 PRO 12 HB1 PRO 11 33.513 3.759 5.622 72 HG2 PRO 12 HG2 PRO 11 31.224 5.048 6.145 73 HG3 PRO 12 HG1 PRO 11 31.715 4.660 4.486 74 HD2 PRO 12 HD2 PRO 11 29.703 3.300 6.237 75 HD3 PRO 12 HD1 PRO 11 29.626 3.661 4.500 76 H ALA 13 HN ALA 12 30.643 1.008 7.130 77 HA ALA 13 HA ALA 12 32.500 -0.089 8.970 78 HB1 ALA 13 HB1 ALA 12 30.716 -0.540 10.292 79 HB2 ALA 13 HB2 ALA 12 29.729 -1.126 8.954 80 HB3 ALA 13 HB3 ALA 12 29.940 0.607 9.200 81 H SER 14 HN SER 13 30.635 -1.511 6.310 82 HA SER 14 HA SER 13 31.348 -4.200 6.954 83 HB2 SER 14 HB2 SER 13 30.469 -4.727 4.675 84 HB3 SER 14 HB1 SER 13 29.343 -3.813 5.672 85 HG SER 14 HG SER 13 29.442 -2.220 4.302 86 H DAL 15 HN DAL 14 32.935 -1.644 5.223 87 HA DAL 15 HA DAL 14 35.141 -3.486 4.613 88 HB1 DAL 15 HB1 DAL 14 35.212 -0.476 4.731 89 HB2 DAL 15 HB2 DAL 14 36.589 -1.572 4.632 90 HB3 DAL 15 HB3 DAL 14 35.590 -1.539 6.085 91 H NVA 16 HN NVA 15 32.727 -3.155 2.902 92 HA NVA 16 HA NVA 15 33.964 -3.176 0.390 93 HB2 NVA 16 HB1 NVA 15 31.055 -2.790 1.120 94 HB3 NVA 16 HB2 NVA 15 31.856 -4.319 0.784 95 HG2 NVA 16 HG1 NVA 15 32.221 -3.627 -1.532 96 HG3 NVA 16 HG2 NVA 15 31.414 -2.091 -1.196 97 HD1 NVA 16 HD1 NVA 15 29.334 -3.123 -0.905 98 HD2 NVA 16 HD2 NVA 15 30.055 -4.723 -0.727 99 HD3 NVA 16 HD3 NVA 15 30.038 -3.932 -2.304 100 HA PRO 17 HA PRO 16 34.240 1.197 -0.387 101 HB2 PRO 17 HB2 PRO 16 35.034 1.111 -2.953 102 HB3 PRO 17 HB1 PRO 16 36.099 0.624 -1.630 103 HG2 PRO 17 HG2 PRO 16 34.486 -1.079 -3.489 104 HG3 PRO 17 HG1 PRO 16 36.146 -1.311 -2.915 105 HD2 PRO 17 HD2 PRO 16 33.978 -2.611 -1.863 106 HD3 PRO 17 HD1 PRO 16 35.463 -2.273 -0.953 107 HA PRO 18 HA PRO 17 30.229 2.221 -2.046 108 HB2 PRO 18 HB2 PRO 17 30.742 4.872 -2.573 109 HB3 PRO 18 HB1 PRO 17 30.321 4.239 -0.978 110 HG2 PRO 18 HG2 PRO 17 33.012 4.892 -2.109 111 HG3 PRO 18 HG1 PRO 17 32.371 5.210 -0.486 112 HD2 PRO 18 HD2 PRO 17 34.049 3.172 -0.953 113 HD3 PRO 18 HD1 PRO 17 32.718 3.026 0.215 114 HA PRO 19 HA PRO 18 30.969 1.822 -6.428 115 HB2 PRO 19 HB2 PRO 18 28.406 2.073 -7.277 116 HB3 PRO 19 HB1 PRO 18 29.017 0.610 -6.497 117 HG2 PRO 19 HG2 PRO 18 27.424 2.856 -5.326 118 HG3 PRO 19 HG1 PRO 18 27.241 1.108 -5.085 119 HD2 PRO 19 HD2 PRO 18 28.488 2.721 -3.293 120 HD3 PRO 19 HD1 PRO 18 28.937 1.021 -3.531 121 H SER 20 HN SER 19 31.347 3.167 -8.124 122 HA SER 20 HA SER 19 30.187 5.869 -8.066 123 HB2 SER 20 HB2 SER 19 33.111 5.162 -8.355 124 HB3 SER 20 HB1 SER 19 32.453 6.733 -8.806 125 HG SER 20 HG SER 19 32.816 7.174 -6.778 126 HN1 NH2 21 H2 SER 19 30.012 6.890 -10.095 127 HN2 NH2 21 H1 SER 19 30.119 6.004 -11.573 Start of MODEL 8 1 H1 ACE 1 HA2 ALA 1 19.373 1.504 -6.406 2 H2 ACE 1 HA3 ALA 1 20.344 2.288 -7.659 3 H3 ACE 1 HA1 ALA 1 20.165 3.049 -6.071 4 H ALA 2 HN ALA 1 22.557 2.110 -7.621 5 HA ALA 2 HA ALA 1 23.636 -0.164 -6.303 6 HB1 ALA 2 HB2 ALA 1 24.851 0.090 -8.174 7 HB2 ALA 2 HB3 ALA 1 25.836 1.169 -7.185 8 HB3 ALA 2 HB1 ALA 1 24.582 1.832 -8.234 9 H TYR 3 HN TYR 2 24.180 3.338 -5.878 10 HA TYR 3 HA TYR 2 26.001 3.099 -3.734 11 HB2 TYR 3 HB2 TYR 2 25.626 5.150 -5.154 12 HB3 TYR 3 HB1 TYR 2 24.144 5.429 -4.245 13 HD1 TYR 3 HD1 TYR 2 27.774 5.637 -4.208 14 HD2 TYR 3 HD2 TYR 2 24.250 6.023 -1.852 15 HE1 TYR 3 HE1 TYR 2 29.057 6.855 -2.501 16 HE2 TYR 3 HE2 TYR 2 25.526 7.243 -0.139 17 HH TYR 3 HH TYR 2 28.722 7.214 0.148 18 H ALA 4 HN ALA 3 22.473 3.414 -3.834 19 HA ALA 4 HA ALA 3 22.032 3.767 -1.081 20 HB1 ALA 4 HB1 ALA 3 20.277 2.559 -3.213 21 HB2 ALA 4 HB2 ALA 3 20.268 4.222 -2.625 22 HB3 ALA 4 HB3 ALA 3 19.737 2.912 -1.571 23 H GLN 5 HN GLN 4 22.315 0.834 -3.058 24 HA GLN 5 HA GLN 4 21.672 -1.021 -1.026 25 HB2 GLN 5 HB2 GLN 4 22.506 -1.115 -3.753 26 HB3 GLN 5 HB1 GLN 4 23.559 -2.177 -2.830 27 HG2 GLN 5 HG2 GLN 4 21.786 -3.519 -3.567 28 HG3 GLN 5 HG1 GLN 4 21.464 -3.203 -1.862 29 HE21 GLN 5 HE21 GLN 4 19.682 -2.018 -1.282 30 HE22 GLN 5 HE22 GLN 4 18.462 -1.531 -2.404 31 H TRP 6 HN TRP 5 24.691 0.495 -2.031 32 HA TRP 6 HA TRP 5 26.524 -1.018 -0.583 33 HB2 TRP 6 HB2 TRP 5 27.311 0.580 -2.189 34 HB3 TRP 6 HB1 TRP 5 26.533 1.910 -1.341 35 HD1 TRP 6 HD1 TRP 5 29.395 -0.638 -0.710 36 HE1 TRP 6 HE1 TRP 5 31.186 0.528 0.718 37 HE3 TRP 6 HE3 TRP 5 27.054 3.848 0.035 38 HZ2 TRP 6 HZ2 TRP 5 31.564 3.012 1.991 39 HZ3 TRP 6 HZ3 TRP 5 28.204 5.566 1.371 40 HH2 TRP 6 HH2 TRP 5 30.412 5.152 2.328 41 H LEU 7 HN LEU 6 24.587 1.781 0.429 42 HA LEU 7 HA LEU 6 25.689 2.015 3.027 43 HB2 LEU 7 HB2 LEU 6 23.054 2.899 1.860 44 HB3 LEU 7 HB1 LEU 6 23.523 3.250 3.512 45 HG LEU 7 HG LEU 6 25.069 4.141 1.079 46 HD11 LEU 7 HD11 LEU 6 24.169 6.422 1.972 47 HD12 LEU 7 HD12 LEU 6 22.887 5.424 2.657 48 HD13 LEU 7 HD13 LEU 6 23.170 5.425 0.916 49 HD21 LEU 7 HD21 LEU 6 26.461 3.908 3.054 50 HD22 LEU 7 HD22 LEU 6 25.314 4.857 4.000 51 HD23 LEU 7 HD23 LEU 6 26.212 5.616 2.685 52 H ALA 8 HN ALA 7 22.969 0.181 1.713 53 HA ALA 8 HA ALA 7 21.818 -0.664 4.127 54 HB1 ALA 8 HB1 ALA 7 20.600 -0.926 2.093 55 HB2 ALA 8 HB2 ALA 7 20.877 -2.534 2.761 56 HB3 ALA 8 HB3 ALA 7 21.852 -1.961 1.409 57 H ASP 9 HN ASP 8 24.551 -1.936 2.291 58 HA ASP 9 HA ASP 8 24.781 -4.360 3.787 59 HB2 ASP 9 HB2 ASP 8 27.012 -3.051 2.229 60 HB3 ASP 9 HB1 ASP 8 26.798 -4.759 2.589 61 H DAL 10 HN DAL 9 25.598 -1.120 4.491 62 HA DAL 10 HA DAL 9 27.476 -1.981 6.590 63 HB1 DAL 10 HB1 DAL 9 25.382 -1.570 7.657 64 HB2 DAL 10 HB2 DAL 9 25.200 -0.025 6.826 65 HB3 DAL 10 HB3 DAL 9 26.460 -0.229 8.044 66 H GLY 11 HN GLY 10 27.573 -0.474 3.808 67 HA2 GLY 11 HA2 GLY 10 28.796 1.222 2.871 68 HA3 GLY 11 HA1 GLY 10 28.537 2.127 4.354 69 HA PRO 12 HA PRO 11 33.039 1.676 4.465 70 HB2 PRO 12 HB2 PRO 11 32.734 3.318 6.902 71 HB3 PRO 12 HB1 PRO 11 33.696 3.621 5.453 72 HG2 PRO 12 HG2 PRO 11 31.468 5.013 5.968 73 HG3 PRO 12 HG1 PRO 11 31.928 4.572 4.314 74 HD2 PRO 12 HD2 PRO 11 29.878 3.333 6.108 75 HD3 PRO 12 HD1 PRO 11 29.799 3.664 4.366 76 H ALA 13 HN ALA 12 30.731 1.015 7.031 77 HA ALA 13 HA ALA 12 32.561 -0.115 8.881 78 HB1 ALA 13 HB1 ALA 12 30.655 -0.847 10.108 79 HB2 ALA 13 HB2 ALA 12 29.614 -0.705 8.692 80 HB3 ALA 13 HB3 ALA 12 30.284 0.744 9.443 81 H SER 14 HN SER 13 30.657 -1.497 6.233 82 HA SER 14 HA SER 13 31.178 -4.213 6.919 83 HB2 SER 14 HB2 SER 13 30.344 -4.723 4.643 84 HB3 SER 14 HB1 SER 13 29.269 -3.640 5.522 85 HG SER 14 HG SER 13 29.665 -2.107 4.123 86 H DAL 15 HN DAL 14 32.984 -1.789 5.205 87 HA DAL 15 HA DAL 14 35.202 -3.649 4.911 88 HB1 DAL 15 HB1 DAL 14 35.662 -1.474 5.883 89 HB2 DAL 15 HB2 DAL 14 35.049 -0.673 4.436 90 HB3 DAL 15 HB3 DAL 14 36.516 -1.647 4.350 91 H NVA 16 HN NVA 15 33.002 -1.771 2.906 92 HA NVA 16 HA NVA 15 34.181 -3.007 0.505 93 HB2 NVA 16 HB1 NVA 15 31.254 -2.509 1.091 94 HB3 NVA 16 HB2 NVA 15 32.051 -4.074 1.098 95 HG2 NVA 16 HG1 NVA 15 32.522 -3.836 -1.300 96 HG3 NVA 16 HG2 NVA 15 31.678 -2.284 -1.298 97 HD1 NVA 16 HD1 NVA 15 29.624 -3.249 -1.135 98 HD2 NVA 16 HD2 NVA 15 30.226 -4.638 -0.231 99 HD3 NVA 16 HD3 NVA 15 30.474 -4.547 -1.974 100 HA PRO 17 HA PRO 16 34.530 1.187 -0.904 101 HB2 PRO 17 HB2 PRO 16 35.026 0.715 -3.525 102 HB3 PRO 17 HB1 PRO 16 36.224 0.424 -2.258 103 HG2 PRO 17 HG2 PRO 16 34.426 -1.521 -3.649 104 HG3 PRO 17 HG1 PRO 16 36.138 -1.688 -3.219 105 HD2 PRO 17 HD2 PRO 16 34.129 -2.798 -1.763 106 HD3 PRO 17 HD1 PRO 16 35.665 -2.274 -1.048 107 HA PRO 18 HA PRO 17 30.299 2.042 -2.148 108 HB2 PRO 18 HB2 PRO 17 30.773 4.709 -2.726 109 HB3 PRO 18 HB1 PRO 17 30.384 4.076 -1.125 110 HG2 PRO 18 HG2 PRO 17 33.047 4.753 -2.301 111 HG3 PRO 18 HG1 PRO 17 32.437 5.043 -0.660 112 HD2 PRO 18 HD2 PRO 17 34.126 3.035 -1.172 113 HD3 PRO 18 HD1 PRO 17 32.800 2.841 -0.005 114 HA PRO 19 HA PRO 18 30.792 1.704 -6.571 115 HB2 PRO 19 HB2 PRO 18 28.183 1.706 -7.258 116 HB3 PRO 19 HB1 PRO 18 28.952 0.322 -6.473 117 HG2 PRO 19 HG2 PRO 18 27.231 2.458 -5.286 118 HG3 PRO 19 HG1 PRO 18 27.227 0.715 -4.971 119 HD2 PRO 19 HD2 PRO 18 28.430 2.551 -3.340 120 HD3 PRO 19 HD1 PRO 18 28.954 0.861 -3.473 121 H SER 20 HN SER 19 31.671 3.528 -7.410 122 HA SER 20 HA SER 19 29.837 5.636 -8.250 123 HB2 SER 20 HB2 SER 19 32.319 6.132 -6.593 124 HB3 SER 20 HB1 SER 19 31.488 7.393 -7.503 125 HG SER 20 HG SER 19 30.635 7.462 -5.483 126 HN1 NH2 21 H2 SER 19 30.086 5.295 -10.389 127 HN2 NH2 21 H1 SER 19 31.594 5.343 -11.231 Start of MODEL 9 1 H1 ACE 1 HA2 ALA 1 19.359 1.741 -6.297 2 H2 ACE 1 HA3 ALA 1 20.262 2.727 -7.457 3 H3 ACE 1 HA1 ALA 1 20.074 3.277 -5.786 4 H ALA 2 HN ALA 1 22.491 2.690 -7.451 5 HA ALA 2 HA ALA 1 23.709 0.328 -6.431 6 HB1 ALA 2 HB2 ALA 1 25.807 1.307 -7.346 7 HB2 ALA 2 HB3 ALA 1 24.900 2.765 -7.745 8 HB3 ALA 2 HB1 ALA 1 24.486 1.232 -8.511 9 H TYR 3 HN TYR 2 24.177 3.786 -5.663 10 HA TYR 3 HA TYR 2 25.991 3.357 -3.541 11 HB2 TYR 3 HB2 TYR 2 25.632 5.527 -4.764 12 HB3 TYR 3 HB1 TYR 2 24.130 5.718 -3.866 13 HD1 TYR 3 HD1 TYR 2 27.791 5.756 -3.652 14 HD2 TYR 3 HD2 TYR 2 24.151 6.269 -1.507 15 HE1 TYR 3 HE1 TYR 2 29.033 6.809 -1.811 16 HE2 TYR 3 HE2 TYR 2 25.385 7.328 0.340 17 HH TYR 3 HH TYR 2 27.694 7.353 1.245 18 H ALA 4 HN ALA 3 22.464 3.669 -3.636 19 HA ALA 4 HA ALA 3 22.006 3.764 -0.864 20 HB1 ALA 4 HB1 ALA 3 20.293 4.346 -2.492 21 HB2 ALA 4 HB2 ALA 3 19.715 3.088 -1.399 22 HB3 ALA 4 HB3 ALA 3 20.221 2.669 -3.037 23 H GLN 5 HN GLN 4 22.295 1.026 -3.106 24 HA GLN 5 HA GLN 4 21.644 -1.005 -1.245 25 HB2 GLN 5 HB2 GLN 4 21.814 -1.138 -3.823 26 HB3 GLN 5 HB1 GLN 4 23.532 -1.401 -3.555 27 HG2 GLN 5 HG2 GLN 4 23.080 -3.556 -3.359 28 HG3 GLN 5 HG1 GLN 4 22.278 -3.184 -1.834 29 HE21 GLN 5 HE21 GLN 4 19.984 -2.784 -1.880 30 HE22 GLN 5 HE22 GLN 4 19.010 -3.508 -3.110 31 H TRP 6 HN TRP 5 24.655 0.601 -2.116 32 HA TRP 6 HA TRP 5 26.493 -1.052 -0.820 33 HB2 TRP 6 HB2 TRP 5 27.301 0.647 -2.295 34 HB3 TRP 6 HB1 TRP 5 26.501 1.917 -1.381 35 HD1 TRP 6 HD1 TRP 5 29.375 -0.643 -0.832 36 HE1 TRP 6 HE1 TRP 5 31.142 0.476 0.663 37 HE3 TRP 6 HE3 TRP 5 27.000 3.793 0.060 38 HZ2 TRP 6 HZ2 TRP 5 31.490 2.910 2.037 39 HZ3 TRP 6 HZ3 TRP 5 28.121 5.464 1.475 40 HH2 TRP 6 HH2 TRP 5 30.320 5.030 2.441 41 H LEU 7 HN LEU 6 24.583 1.674 0.417 42 HA LEU 7 HA LEU 6 25.697 1.734 3.011 43 HB2 LEU 7 HB2 LEU 6 23.039 2.651 1.930 44 HB3 LEU 7 HB1 LEU 6 23.511 2.889 3.602 45 HG LEU 7 HG LEU 6 24.981 4.002 1.209 46 HD11 LEU 7 HD11 LEU 6 24.128 6.181 2.341 47 HD12 LEU 7 HD12 LEU 6 22.899 5.123 3.033 48 HD13 LEU 7 HD13 LEU 6 23.054 5.268 1.282 49 HD21 LEU 7 HD21 LEU 6 26.178 5.336 2.916 50 HD22 LEU 7 HD22 LEU 6 26.491 3.605 3.050 51 HD23 LEU 7 HD23 LEU 6 25.382 4.390 4.173 52 H ALA 8 HN ALA 7 23.092 -0.151 1.578 53 HA ALA 8 HA ALA 7 21.881 -1.122 3.907 54 HB1 ALA 8 HB1 ALA 7 20.665 -2.465 2.540 55 HB2 ALA 8 HB2 ALA 7 22.062 -2.943 1.577 56 HB3 ALA 8 HB3 ALA 7 21.310 -1.370 1.318 57 H ASP 9 HN ASP 8 24.738 -2.254 2.154 58 HA ASP 9 HA ASP 8 25.034 -4.670 3.643 59 HB2 ASP 9 HB2 ASP 8 27.157 -3.175 2.086 60 HB3 ASP 9 HB1 ASP 8 27.207 -4.863 2.577 61 H DAL 10 HN DAL 9 25.649 -1.410 4.426 62 HA DAL 10 HA DAL 9 27.493 -2.199 6.581 63 HB1 DAL 10 HB1 DAL 9 25.343 -1.905 7.571 64 HB2 DAL 10 HB2 DAL 9 25.109 -0.367 6.742 65 HB3 DAL 10 HB3 DAL 9 26.330 -0.510 8.007 66 H GLY 11 HN GLY 10 27.640 -0.676 3.819 67 HA2 GLY 11 HA2 GLY 10 28.775 1.119 2.944 68 HA3 GLY 11 HA1 GLY 10 28.466 1.967 4.451 69 HA PRO 12 HA PRO 11 32.986 1.669 4.580 70 HB2 PRO 12 HB2 PRO 11 32.613 3.290 7.021 71 HB3 PRO 12 HB1 PRO 11 33.572 3.632 5.579 72 HG2 PRO 12 HG2 PRO 11 31.295 4.948 6.086 73 HG3 PRO 12 HG1 PRO 11 31.776 4.525 4.432 74 HD2 PRO 12 HD2 PRO 11 29.764 3.208 6.218 75 HD3 PRO 12 HD1 PRO 11 29.676 3.549 4.476 76 H ALA 13 HN ALA 12 30.686 0.922 7.131 77 HA ALA 13 HA ALA 12 32.535 -0.153 8.990 78 HB1 ALA 13 HB1 ALA 12 30.737 -0.640 10.299 79 HB2 ALA 13 HB2 ALA 12 29.739 -1.155 8.939 80 HB3 ALA 13 HB3 ALA 12 30.004 0.563 9.238 81 H SER 14 HN SER 13 30.685 -1.599 6.334 82 HA SER 14 HA SER 13 31.373 -4.291 6.991 83 HB2 SER 14 HB2 SER 13 30.502 -4.831 4.732 84 HB3 SER 14 HB1 SER 13 29.387 -3.837 5.666 85 HG SER 14 HG SER 13 29.675 -2.223 4.313 86 H DAL 15 HN DAL 14 32.999 -1.750 5.285 87 HA DAL 15 HA DAL 14 35.306 -3.465 4.902 88 HB1 DAL 15 HB1 DAL 14 35.643 -1.246 5.838 89 HB2 DAL 15 HB2 DAL 14 34.949 -0.512 4.391 90 HB3 DAL 15 HB3 DAL 14 36.473 -1.394 4.289 91 H NVA 16 HN NVA 15 32.947 -1.726 2.942 92 HA NVA 16 HA NVA 15 34.074 -3.004 0.538 93 HB2 NVA 16 HB1 NVA 15 31.196 -2.513 1.314 94 HB3 NVA 16 HB2 NVA 15 31.986 -4.059 1.052 95 HG2 NVA 16 HG1 NVA 15 32.305 -3.340 -1.356 96 HG3 NVA 16 HG2 NVA 15 31.192 -2.015 -1.000 97 HD1 NVA 16 HD1 NVA 15 29.855 -3.711 -1.912 98 HD2 NVA 16 HD2 NVA 15 29.587 -3.809 -0.171 99 HD3 NVA 16 HD3 NVA 15 30.655 -4.966 -0.967 100 HA PRO 17 HA PRO 16 34.539 1.144 -0.969 101 HB2 PRO 17 HB2 PRO 16 34.949 0.592 -3.592 102 HB3 PRO 17 HB1 PRO 16 36.170 0.303 -2.349 103 HG2 PRO 17 HG2 PRO 16 34.278 -1.628 -3.632 104 HG3 PRO 17 HG1 PRO 16 35.999 -1.832 -3.253 105 HD2 PRO 17 HD2 PRO 16 34.024 -2.854 -1.702 106 HD3 PRO 17 HD1 PRO 16 35.584 -2.323 -1.043 107 HA PRO 18 HA PRO 17 30.284 2.048 -2.131 108 HB2 PRO 18 HB2 PRO 17 30.744 4.736 -2.563 109 HB3 PRO 18 HB1 PRO 17 30.389 4.020 -0.989 110 HG2 PRO 18 HG2 PRO 17 33.027 4.769 -2.180 111 HG3 PRO 18 HG1 PRO 17 32.446 4.976 -0.517 112 HD2 PRO 18 HD2 PRO 17 34.132 3.000 -1.167 113 HD3 PRO 18 HD1 PRO 17 32.842 2.755 0.031 114 HA PRO 19 HA PRO 18 30.759 1.969 -6.567 115 HB2 PRO 19 HB2 PRO 18 28.153 2.054 -7.253 116 HB3 PRO 19 HB1 PRO 18 28.891 0.617 -6.535 117 HG2 PRO 19 HG2 PRO 18 27.208 2.726 -5.249 118 HG3 PRO 19 HG1 PRO 18 27.173 0.970 -5.019 119 HD2 PRO 19 HD2 PRO 18 28.408 2.706 -3.301 120 HD3 PRO 19 HD1 PRO 18 28.891 1.012 -3.506 121 H SER 20 HN SER 19 31.432 3.646 -7.742 122 HA SER 20 HA SER 19 29.693 5.911 -8.219 123 HB2 SER 20 HB2 SER 19 31.971 6.075 -6.382 124 HB3 SER 20 HB1 SER 19 32.029 7.275 -7.674 125 HG SER 20 HG SER 19 30.163 8.140 -6.978 126 HN1 NH2 21 H2 SER 19 30.295 7.141 -10.041 127 HN2 NH2 21 H1 SER 19 31.472 6.574 -11.170 Start of MODEL 10 1 H1 ACE 1 HA2 ALA 1 20.196 2.098 -6.988 2 H2 ACE 1 HA3 ALA 1 19.608 0.592 -7.686 3 H3 ACE 1 HA1 ALA 1 20.260 1.878 -8.735 4 H ALA 2 HN ALA 1 22.164 2.101 -6.181 5 HA ALA 2 HA ALA 1 23.848 -0.191 -6.388 6 HB1 ALA 2 HB2 ALA 1 24.790 0.441 -8.352 7 HB2 ALA 2 HB3 ALA 1 25.786 1.422 -7.276 8 HB3 ALA 2 HB1 ALA 1 24.413 2.147 -8.113 9 H TYR 3 HN TYR 2 24.312 3.325 -5.893 10 HA TYR 3 HA TYR 2 26.061 3.061 -3.712 11 HB2 TYR 3 HB2 TYR 2 25.725 5.116 -5.136 12 HB3 TYR 3 HB1 TYR 2 24.239 5.413 -4.241 13 HD1 TYR 3 HD1 TYR 2 27.873 5.565 -4.167 14 HD2 TYR 3 HD2 TYR 2 24.329 6.018 -1.851 15 HE1 TYR 3 HE1 TYR 2 29.156 6.770 -2.449 16 HE2 TYR 3 HE2 TYR 2 25.606 7.223 -0.127 17 HH TYR 3 HH TYR 2 28.857 7.171 0.134 18 H ALA 4 HN ALA 3 22.537 3.433 -3.846 19 HA ALA 4 HA ALA 3 22.074 3.787 -1.099 20 HB1 ALA 4 HB1 ALA 3 20.302 2.555 -3.204 21 HB2 ALA 4 HB2 ALA 3 20.352 4.250 -2.720 22 HB3 ALA 4 HB3 ALA 3 19.773 3.027 -1.589 23 H GLN 5 HN GLN 4 22.327 0.844 -3.066 24 HA GLN 5 HA GLN 4 21.642 -0.993 -1.029 25 HB2 GLN 5 HB2 GLN 4 22.688 -1.102 -3.745 26 HB3 GLN 5 HB1 GLN 4 23.412 -2.330 -2.716 27 HG2 GLN 5 HG2 GLN 4 20.868 -2.697 -2.036 28 HG3 GLN 5 HG1 GLN 4 20.621 -2.035 -3.652 29 HE21 GLN 5 HE21 GLN 4 21.524 -4.763 -1.815 30 HE22 GLN 5 HE22 GLN 4 21.887 -5.819 -3.132 31 H TRP 6 HN TRP 5 24.695 0.455 -2.039 32 HA TRP 6 HA TRP 5 26.498 -1.080 -0.576 33 HB2 TRP 6 HB2 TRP 5 27.331 0.487 -2.182 34 HB3 TRP 6 HB1 TRP 5 26.553 1.837 -1.369 35 HD1 TRP 6 HD1 TRP 5 29.394 -0.716 -0.654 36 HE1 TRP 6 HE1 TRP 5 31.174 0.468 0.772 37 HE3 TRP 6 HE3 TRP 5 27.066 3.792 -0.021 38 HZ2 TRP 6 HZ2 TRP 5 31.549 2.977 2.003 39 HZ3 TRP 6 HZ3 TRP 5 28.208 5.532 1.295 40 HH2 TRP 6 HH2 TRP 5 30.402 5.128 2.285 41 H LEU 7 HN LEU 6 24.604 1.755 0.418 42 HA LEU 7 HA LEU 6 25.703 1.990 3.017 43 HB2 LEU 7 HB2 LEU 6 23.062 2.883 1.865 44 HB3 LEU 7 HB1 LEU 6 23.573 3.265 3.498 45 HG LEU 7 HG LEU 6 25.095 4.078 1.022 46 HD11 LEU 7 HD11 LEU 6 23.300 5.437 0.764 47 HD12 LEU 7 HD12 LEU 6 24.164 6.388 1.973 48 HD13 LEU 7 HD13 LEU 6 22.836 5.335 2.462 49 HD21 LEU 7 HD21 LEU 6 25.338 4.906 3.914 50 HD22 LEU 7 HD22 LEU 6 26.242 5.605 2.571 51 HD23 LEU 7 HD23 LEU 6 26.483 3.914 3.011 52 H ALA 8 HN ALA 7 22.950 0.193 1.714 53 HA ALA 8 HA ALA 7 21.801 -0.637 4.134 54 HB1 ALA 8 HB1 ALA 7 20.611 -0.855 2.047 55 HB2 ALA 8 HB2 ALA 7 20.772 -2.444 2.796 56 HB3 ALA 8 HB3 ALA 7 21.811 -1.997 1.442 57 H ASP 9 HN ASP 8 24.499 -1.950 2.273 58 HA ASP 9 HA ASP 8 24.705 -4.375 3.770 59 HB2 ASP 9 HB2 ASP 8 26.926 -3.089 2.175 60 HB3 ASP 9 HB1 ASP 8 26.721 -4.793 2.561 61 H DAL 10 HN DAL 9 25.578 -1.148 4.465 62 HA DAL 10 HA DAL 9 27.499 -2.027 6.516 63 HB1 DAL 10 HB1 DAL 9 26.433 -0.153 7.932 64 HB2 DAL 10 HB2 DAL 9 25.588 -1.694 7.788 65 HB3 DAL 10 HB3 DAL 9 25.067 -0.310 6.828 66 H GLY 11 HN GLY 10 27.607 -0.543 3.776 67 HA2 GLY 11 HA2 GLY 10 28.778 1.195 2.843 68 HA3 GLY 11 HA1 GLY 10 28.448 2.108 4.306 69 HA PRO 12 HA PRO 11 32.954 1.860 4.563 70 HB2 PRO 12 HB2 PRO 11 32.494 3.425 7.027 71 HB3 PRO 12 HB1 PRO 11 33.490 3.807 5.619 72 HG2 PRO 12 HG2 PRO 11 31.184 5.085 6.084 73 HG3 PRO 12 HG1 PRO 11 31.716 4.697 4.437 74 HD2 PRO 12 HD2 PRO 11 29.669 3.329 6.140 75 HD3 PRO 12 HD1 PRO 11 29.632 3.691 4.402 76 H ALA 13 HN ALA 12 30.611 1.039 7.049 77 HA ALA 13 HA ALA 12 32.438 -0.067 8.917 78 HB1 ALA 13 HB1 ALA 12 30.391 0.515 9.837 79 HB2 ALA 13 HB2 ALA 12 30.304 -1.244 9.755 80 HB3 ALA 13 HB3 ALA 12 29.474 -0.262 8.547 81 H SER 14 HN SER 13 30.583 -1.474 6.234 82 HA SER 14 HA SER 13 31.195 -4.176 6.823 83 HB2 SER 14 HB2 SER 13 30.454 -4.649 4.524 84 HB3 SER 14 HB1 SER 13 29.334 -3.568 5.349 85 HG SER 14 HG SER 13 31.090 -3.049 3.238 86 H DAL 15 HN DAL 14 32.992 -1.654 5.231 87 HA DAL 15 HA DAL 14 35.302 -3.397 5.052 88 HB1 DAL 15 HB1 DAL 14 36.533 -1.356 4.491 89 HB2 DAL 15 HB2 DAL 14 35.577 -1.153 5.959 90 HB3 DAL 15 HB3 DAL 14 35.016 -0.457 4.439 91 H NVA 16 HN NVA 15 33.174 -1.597 2.874 92 HA NVA 16 HA NVA 15 34.505 -2.868 0.577 93 HB2 NVA 16 HB1 NVA 15 31.526 -2.566 1.005 94 HB3 NVA 16 HB2 NVA 15 32.429 -4.070 1.086 95 HG2 NVA 16 HG1 NVA 15 33.069 -3.688 -1.320 96 HG3 NVA 16 HG2 NVA 15 31.884 -2.375 -1.336 97 HD1 NVA 16 HD1 NVA 15 31.038 -4.561 -2.198 98 HD2 NVA 16 HD2 NVA 15 30.103 -3.888 -0.863 99 HD3 NVA 16 HD3 NVA 15 31.232 -5.212 -0.570 100 HA PRO 17 HA PRO 16 34.701 1.294 -0.937 101 HB2 PRO 17 HB2 PRO 16 35.203 0.757 -3.560 102 HB3 PRO 17 HB1 PRO 16 36.422 0.621 -2.289 103 HG2 PRO 17 HG2 PRO 16 34.783 -1.521 -3.579 104 HG3 PRO 17 HG1 PRO 16 36.499 -1.537 -3.135 105 HD2 PRO 17 HD2 PRO 16 34.593 -2.738 -1.635 106 HD3 PRO 17 HD1 PRO 16 36.056 -2.025 -0.930 107 HA PRO 18 HA PRO 17 30.406 1.912 -2.119 108 HB2 PRO 18 HB2 PRO 17 30.806 4.595 -2.766 109 HB3 PRO 18 HB1 PRO 17 30.373 3.977 -1.170 110 HG2 PRO 18 HG2 PRO 17 33.050 4.738 -2.246 111 HG3 PRO 18 HG1 PRO 17 32.376 4.990 -0.625 112 HD2 PRO 18 HD2 PRO 17 34.158 3.057 -1.087 113 HD3 PRO 18 HD1 PRO 17 32.794 2.794 0.022 114 HA PRO 19 HA PRO 18 30.847 1.612 -6.547 115 HB2 PRO 19 HB2 PRO 18 28.257 1.312 -7.180 116 HB3 PRO 19 HB1 PRO 18 29.158 0.048 -6.336 117 HG2 PRO 19 HG2 PRO 18 27.220 2.044 -5.250 118 HG3 PRO 19 HG1 PRO 18 27.428 0.336 -4.825 119 HD2 PRO 19 HD2 PRO 18 28.441 2.463 -3.374 120 HD3 PRO 19 HD1 PRO 18 29.058 0.803 -3.303 121 H SER 20 HN SER 19 31.475 3.460 -7.522 122 HA SER 20 HA SER 19 29.418 5.362 -8.307 123 HB2 SER 20 HB2 SER 19 31.851 6.128 -6.687 124 HB3 SER 20 HB1 SER 19 30.953 7.292 -7.661 125 HG SER 20 HG SER 19 29.282 7.158 -6.317 126 HN1 NH2 21 H2 SER 19 30.161 3.871 -10.172 127 HN2 NH2 21 H1 SER 19 31.420 4.498 -11.173 Start of MODEL 11 1 H1 ACE 1 HA2 ALA 1 20.103 3.288 -7.358 2 H2 ACE 1 HA3 ALA 1 20.051 2.620 -5.721 3 H3 ACE 1 HA1 ALA 1 20.092 1.535 -7.119 4 H ALA 2 HN ALA 1 21.955 0.497 -6.373 5 HA ALA 2 HA ALA 1 24.183 0.060 -6.431 6 HB1 ALA 2 HB2 ALA 1 23.915 2.200 -8.256 7 HB2 ALA 2 HB3 ALA 1 25.201 0.998 -8.160 8 HB3 ALA 2 HB1 ALA 1 25.349 2.519 -7.280 9 H TYR 3 HN TYR 2 24.142 3.563 -5.688 10 HA TYR 3 HA TYR 2 26.003 3.291 -3.560 11 HB2 TYR 3 HB2 TYR 2 25.595 5.377 -4.933 12 HB3 TYR 3 HB1 TYR 2 24.118 5.610 -4.003 13 HD1 TYR 3 HD1 TYR 2 27.760 5.792 -3.961 14 HD2 TYR 3 HD2 TYR 2 24.227 6.190 -1.622 15 HE1 TYR 3 HE1 TYR 2 29.049 6.962 -2.225 16 HE2 TYR 3 HE2 TYR 2 25.509 7.362 0.120 17 HH TYR 3 HH TYR 2 28.739 7.295 0.390 18 H ALA 4 HN ALA 3 22.471 3.614 -3.685 19 HA ALA 4 HA ALA 3 22.017 3.829 -0.918 20 HB1 ALA 4 HB1 ALA 3 20.288 4.369 -2.521 21 HB2 ALA 4 HB2 ALA 3 19.718 3.102 -1.434 22 HB3 ALA 4 HB3 ALA 3 20.235 2.694 -3.070 23 H GLN 5 HN GLN 4 22.287 1.014 -3.056 24 HA GLN 5 HA GLN 4 21.630 -0.952 -1.131 25 HB2 GLN 5 HB2 GLN 4 21.834 -1.148 -3.716 26 HB3 GLN 5 HB1 GLN 4 23.538 -1.444 -3.402 27 HG2 GLN 5 HG2 GLN 4 22.728 -3.577 -3.479 28 HG3 GLN 5 HG1 GLN 4 22.631 -3.245 -1.751 29 HE21 GLN 5 HE21 GLN 4 20.594 -2.835 -0.816 30 HE22 GLN 5 HE22 GLN 4 19.134 -3.323 -1.597 31 H TRP 6 HN TRP 5 24.662 0.592 -2.071 32 HA TRP 6 HA TRP 5 26.482 -1.014 -0.702 33 HB2 TRP 6 HB2 TRP 5 27.313 0.625 -2.231 34 HB3 TRP 6 HB1 TRP 5 26.519 1.933 -1.367 35 HD1 TRP 6 HD1 TRP 5 29.356 -0.638 -0.712 36 HE1 TRP 6 HE1 TRP 5 31.124 0.500 0.766 37 HE3 TRP 6 HE3 TRP 5 27.033 3.858 0.023 38 HZ2 TRP 6 HZ2 TRP 5 31.491 2.971 2.072 39 HZ3 TRP 6 HZ3 TRP 5 28.166 5.556 1.401 40 HH2 TRP 6 HH2 TRP 5 30.347 5.118 2.403 41 H LEU 7 HN LEU 6 24.605 1.783 0.425 42 HA LEU 7 HA LEU 6 25.709 1.909 3.023 43 HB2 LEU 7 HB2 LEU 6 23.058 2.832 1.921 44 HB3 LEU 7 HB1 LEU 6 23.569 3.146 3.569 45 HG LEU 7 HG LEU 6 25.060 4.086 1.118 46 HD11 LEU 7 HD11 LEU 6 23.227 5.429 0.988 47 HD12 LEU 7 HD12 LEU 6 24.163 6.345 2.169 48 HD13 LEU 7 HD13 LEU 6 22.860 5.286 2.707 49 HD21 LEU 7 HD21 LEU 6 26.501 3.824 3.048 50 HD22 LEU 7 HD22 LEU 6 25.368 4.732 4.049 51 HD23 LEU 7 HD23 LEU 6 26.226 5.538 2.736 52 H ALA 8 HN ALA 7 23.007 0.101 1.651 53 HA ALA 8 HA ALA 7 21.833 -0.805 4.030 54 HB1 ALA 8 HB1 ALA 7 20.421 -1.336 2.367 55 HB2 ALA 8 HB2 ALA 7 21.329 -2.846 2.314 56 HB3 ALA 8 HB3 ALA 7 21.718 -1.545 1.191 57 H ASP 9 HN ASP 8 24.581 -2.041 2.184 58 HA ASP 9 HA ASP 8 24.806 -4.483 3.652 59 HB2 ASP 9 HB2 ASP 8 27.066 -3.176 2.140 60 HB3 ASP 9 HB1 ASP 8 26.796 -4.888 2.436 61 H DAL 10 HN DAL 9 25.629 -1.252 4.392 62 HA DAL 10 HA DAL 9 27.515 -2.129 6.476 63 HB1 DAL 10 HB1 DAL 9 25.008 -0.558 6.726 64 HB2 DAL 10 HB2 DAL 9 26.362 -0.133 7.771 65 HB3 DAL 10 HB3 DAL 9 25.701 -1.767 7.806 66 H GLY 11 HN GLY 10 27.644 -0.613 3.736 67 HA2 GLY 11 HA2 GLY 10 28.810 1.145 2.834 68 HA3 GLY 11 HA1 GLY 10 28.516 2.020 4.327 69 HA PRO 12 HA PRO 11 33.027 1.695 4.478 70 HB2 PRO 12 HB2 PRO 11 32.641 3.256 6.958 71 HB3 PRO 12 HB1 PRO 11 33.617 3.628 5.534 72 HG2 PRO 12 HG2 PRO 11 31.343 4.943 6.050 73 HG3 PRO 12 HG1 PRO 11 31.839 4.559 4.391 74 HD2 PRO 12 HD2 PRO 11 29.796 3.218 6.118 75 HD3 PRO 12 HD1 PRO 11 29.738 3.590 4.383 76 H ALA 13 HN ALA 12 30.716 0.915 7.005 77 HA ALA 13 HA ALA 12 32.547 -0.227 8.840 78 HB1 ALA 13 HB1 ALA 12 29.587 -0.268 8.518 79 HB2 ALA 13 HB2 ALA 12 30.570 0.312 9.862 80 HB3 ALA 13 HB3 ALA 12 30.345 -1.420 9.618 81 H SER 14 HN SER 13 30.607 -1.621 6.208 82 HA SER 14 HA SER 13 31.301 -4.317 6.802 83 HB2 SER 14 HB2 SER 13 30.405 -4.802 4.522 84 HB3 SER 14 HB1 SER 13 29.301 -3.870 5.530 85 HG SER 14 HG SER 13 30.407 -3.218 3.156 86 H DAL 15 HN DAL 14 32.915 -1.769 5.078 87 HA DAL 15 HA DAL 14 35.100 -3.632 4.457 88 HB1 DAL 15 HB1 DAL 14 36.566 -1.730 4.479 89 HB2 DAL 15 HB2 DAL 14 35.573 -1.697 5.936 90 HB3 DAL 15 HB3 DAL 14 35.198 -0.623 4.589 91 H NVA 16 HN NVA 15 32.683 -3.258 2.748 92 HA NVA 16 HA NVA 15 33.927 -3.274 0.233 93 HB2 NVA 16 HB1 NVA 15 31.016 -2.893 0.965 94 HB3 NVA 16 HB2 NVA 15 31.816 -4.420 0.617 95 HG2 NVA 16 HG1 NVA 15 32.232 -3.611 -1.697 96 HG3 NVA 16 HG2 NVA 15 31.265 -2.181 -1.320 97 HD1 NVA 16 HD1 NVA 15 29.414 -3.803 -0.679 98 HD2 NVA 16 HD2 NVA 15 30.382 -5.046 -1.474 99 HD3 NVA 16 HD3 NVA 15 29.794 -3.661 -2.396 100 HA PRO 17 HA PRO 16 34.207 1.107 -0.511 101 HB2 PRO 17 HB2 PRO 16 34.996 1.042 -3.080 102 HB3 PRO 17 HB1 PRO 16 36.063 0.540 -1.764 103 HG2 PRO 17 HG2 PRO 16 34.437 -1.144 -3.628 104 HG3 PRO 17 HG1 PRO 16 36.102 -1.383 -3.069 105 HD2 PRO 17 HD2 PRO 16 33.947 -2.693 -2.011 106 HD3 PRO 17 HD1 PRO 16 35.433 -2.352 -1.104 107 HA PRO 18 HA PRO 17 30.185 2.134 -2.138 108 HB2 PRO 18 HB2 PRO 17 30.692 4.793 -2.640 109 HB3 PRO 18 HB1 PRO 17 30.264 4.141 -1.056 110 HG2 PRO 18 HG2 PRO 17 32.956 4.821 -2.162 111 HG3 PRO 18 HG1 PRO 17 32.308 5.106 -0.535 112 HD2 PRO 18 HD2 PRO 17 34.000 3.085 -1.036 113 HD3 PRO 18 HD1 PRO 17 32.668 2.913 0.127 114 HA PRO 19 HA PRO 18 30.925 1.848 -6.526 115 HB2 PRO 19 HB2 PRO 18 28.356 1.890 -7.351 116 HB3 PRO 19 HB1 PRO 18 29.066 0.487 -6.544 117 HG2 PRO 19 HG2 PRO 18 27.312 2.634 -5.419 118 HG3 PRO 19 HG1 PRO 18 27.263 0.885 -5.135 119 HD2 PRO 19 HD2 PRO 18 28.406 2.665 -3.405 120 HD3 PRO 19 HD1 PRO 18 28.918 0.973 -3.551 121 H SER 20 HN SER 19 31.908 3.739 -7.145 122 HA SER 20 HA SER 19 30.213 5.752 -8.334 123 HB2 SER 20 HB2 SER 19 31.427 7.632 -7.126 124 HB3 SER 20 HB1 SER 19 30.273 6.721 -6.153 125 HG SER 20 HG SER 19 32.432 7.145 -5.216 126 HN1 NH2 21 H2 SER 19 31.563 4.301 -9.902 127 HN2 NH2 21 H1 SER 19 33.055 4.992 -10.432 Start of MODEL 12 1 H1 ACE 1 HA2 ALA 1 19.475 1.257 -6.459 2 H2 ACE 1 HA3 ALA 1 20.394 2.178 -7.658 3 H3 ACE 1 HA1 ALA 1 20.158 2.832 -6.031 4 H ALA 2 HN ALA 1 22.607 2.123 -7.639 5 HA ALA 2 HA ALA 1 23.833 -0.133 -6.422 6 HB1 ALA 2 HB2 ALA 1 25.903 0.689 -7.418 7 HB2 ALA 2 HB3 ALA 1 25.121 2.226 -7.792 8 HB3 ALA 2 HB1 ALA 1 24.576 0.743 -8.577 9 H TYR 3 HN TYR 2 24.274 3.375 -5.892 10 HA TYR 3 HA TYR 2 26.043 3.102 -3.709 11 HB2 TYR 3 HB2 TYR 2 25.713 5.182 -5.085 12 HB3 TYR 3 HB1 TYR 2 24.191 5.433 -4.236 13 HD1 TYR 3 HD1 TYR 2 27.826 5.610 -4.007 14 HD2 TYR 3 HD2 TYR 2 24.179 6.023 -1.852 15 HE1 TYR 3 HE1 TYR 2 29.025 6.788 -2.214 16 HE2 TYR 3 HE2 TYR 2 25.373 7.206 -0.056 17 HH TYR 3 HH TYR 2 27.941 8.670 -0.199 18 H ALA 4 HN ALA 3 22.517 3.374 -3.891 19 HA ALA 4 HA ALA 3 22.000 3.702 -1.151 20 HB1 ALA 4 HB1 ALA 3 20.269 4.130 -2.739 21 HB2 ALA 4 HB2 ALA 3 19.735 2.805 -1.706 22 HB3 ALA 4 HB3 ALA 3 20.326 2.471 -3.334 23 H GLN 5 HN GLN 4 22.366 0.780 -3.130 24 HA GLN 5 HA GLN 4 21.724 -1.087 -1.105 25 HB2 GLN 5 HB2 GLN 4 22.274 -1.239 -3.793 26 HB3 GLN 5 HB1 GLN 4 23.702 -1.981 -3.086 27 HG2 GLN 5 HG2 GLN 4 21.227 -2.934 -1.893 28 HG3 GLN 5 HG1 GLN 4 21.316 -3.229 -3.628 29 HE21 GLN 5 HE21 GLN 4 22.954 -3.748 -0.560 30 HE22 GLN 5 HE22 GLN 4 23.830 -5.152 -1.055 31 H TRP 6 HN TRP 5 24.728 0.484 -2.067 32 HA TRP 6 HA TRP 5 26.577 -1.028 -0.635 33 HB2 TRP 6 HB2 TRP 5 27.359 0.605 -2.204 34 HB3 TRP 6 HB1 TRP 5 26.542 1.909 -1.355 35 HD1 TRP 6 HD1 TRP 5 29.441 -0.591 -0.691 36 HE1 TRP 6 HE1 TRP 5 31.192 0.604 0.761 37 HE3 TRP 6 HE3 TRP 5 27.018 3.858 0.024 38 HZ2 TRP 6 HZ2 TRP 5 31.513 3.087 2.042 39 HZ3 TRP 6 HZ3 TRP 5 28.124 5.592 1.378 40 HH2 TRP 6 HH2 TRP 5 30.324 5.210 2.365 41 H LEU 7 HN LEU 6 24.609 1.739 0.407 42 HA LEU 7 HA LEU 6 25.681 1.948 3.015 43 HB2 LEU 7 HB2 LEU 6 23.043 2.799 1.835 44 HB3 LEU 7 HB1 LEU 6 23.480 3.127 3.500 45 HG LEU 7 HG LEU 6 25.014 4.110 1.093 46 HD11 LEU 7 HD11 LEU 6 22.824 5.294 2.731 47 HD12 LEU 7 HD12 LEU 6 23.107 5.382 0.992 48 HD13 LEU 7 HD13 LEU 6 24.090 6.344 2.097 49 HD21 LEU 7 HD21 LEU 6 26.158 5.542 2.735 50 HD22 LEU 7 HD22 LEU 6 26.434 3.828 3.043 51 HD23 LEU 7 HD23 LEU 6 25.286 4.728 4.035 52 H ALA 8 HN ALA 7 23.067 0.023 1.641 53 HA ALA 8 HA ALA 7 21.872 -0.850 4.026 54 HB1 ALA 8 HB1 ALA 7 20.720 -2.416 2.734 55 HB2 ALA 8 HB2 ALA 7 22.030 -2.555 1.563 56 HB3 ALA 8 HB3 ALA 7 21.043 -1.094 1.612 57 H ASP 9 HN ASP 8 24.688 -2.049 2.259 58 HA ASP 9 HA ASP 8 24.960 -4.448 3.786 59 HB2 ASP 9 HB2 ASP 8 27.103 -3.032 2.186 60 HB3 ASP 9 HB1 ASP 8 27.097 -4.717 2.685 61 H DAL 10 HN DAL 9 25.656 -1.178 4.479 62 HA DAL 10 HA DAL 9 27.508 -1.959 6.632 63 HB1 DAL 10 HB1 DAL 9 25.185 -0.049 6.793 64 HB2 DAL 10 HB2 DAL 9 26.404 -0.248 8.052 65 HB3 DAL 10 HB3 DAL 9 25.354 -1.598 7.619 66 H GLY 11 HN GLY 10 27.637 -0.489 3.835 67 HA2 GLY 11 HA2 GLY 10 28.821 1.241 2.909 68 HA3 GLY 11 HA1 GLY 10 28.505 2.149 4.378 69 HA PRO 12 HA PRO 11 33.012 1.824 4.578 70 HB2 PRO 12 HB2 PRO 11 32.631 3.514 6.969 71 HB3 PRO 12 HB1 PRO 11 33.599 3.813 5.521 72 HG2 PRO 12 HG2 PRO 11 31.322 5.149 5.988 73 HG3 PRO 12 HG1 PRO 11 31.816 4.692 4.348 74 HD2 PRO 12 HD2 PRO 11 29.783 3.423 6.142 75 HD3 PRO 12 HD1 PRO 11 29.715 3.721 4.392 76 H ALA 13 HN ALA 12 30.672 1.150 7.106 77 HA ALA 13 HA ALA 12 32.494 0.115 9.022 78 HB1 ALA 13 HB1 ALA 12 30.148 0.931 9.466 79 HB2 ALA 13 HB2 ALA 12 30.603 -0.580 10.254 80 HB3 ALA 13 HB3 ALA 12 29.582 -0.607 8.817 81 H SER 14 HN SER 13 30.681 -1.374 6.369 82 HA SER 14 HA SER 13 31.293 -4.057 7.140 83 HB2 SER 14 HB2 SER 13 30.487 -4.633 4.838 84 HB3 SER 14 HB1 SER 13 29.347 -3.675 5.780 85 HG SER 14 HG SER 13 30.916 -2.922 3.578 86 H DAL 15 HN DAL 14 33.014 -1.611 5.397 87 HA DAL 15 HA DAL 14 35.276 -3.406 5.093 88 HB1 DAL 15 HB1 DAL 14 36.547 -1.408 4.548 89 HB2 DAL 15 HB2 DAL 14 35.607 -1.156 6.018 90 HB3 DAL 15 HB3 DAL 14 35.063 -0.456 4.493 91 H NVA 16 HN NVA 15 33.040 -1.577 3.067 92 HA NVA 16 HA NVA 15 34.202 -2.866 0.688 93 HB2 NVA 16 HB1 NVA 15 31.284 -2.398 1.334 94 HB3 NVA 16 HB2 NVA 15 32.102 -3.950 1.259 95 HG2 NVA 16 HG1 NVA 15 32.375 -2.463 -1.217 96 HG3 NVA 16 HG2 NVA 15 30.688 -2.745 -0.779 97 HD1 NVA 16 HD1 NVA 15 31.040 -5.103 -0.670 98 HD2 NVA 16 HD2 NVA 15 32.783 -4.904 -0.854 99 HD3 NVA 16 HD3 NVA 15 31.706 -4.527 -2.198 100 HA PRO 17 HA PRO 16 34.556 1.314 -0.772 101 HB2 PRO 17 HB2 PRO 16 35.118 0.795 -3.370 102 HB3 PRO 17 HB1 PRO 16 36.290 0.546 -2.072 103 HG2 PRO 17 HG2 PRO 16 34.541 -1.452 -3.451 104 HG3 PRO 17 HG1 PRO 16 36.251 -1.586 -2.998 105 HD2 PRO 17 HD2 PRO 16 34.251 -2.700 -1.540 106 HD3 PRO 17 HD1 PRO 16 35.759 -2.112 -0.812 107 HA PRO 18 HA PRO 17 30.336 2.082 -2.102 108 HB2 PRO 18 HB2 PRO 17 30.793 4.739 -2.746 109 HB3 PRO 18 HB1 PRO 17 30.379 4.143 -1.135 110 HG2 PRO 18 HG2 PRO 17 33.061 4.811 -2.277 111 HG3 PRO 18 HG1 PRO 17 32.415 5.144 -0.658 112 HD2 PRO 18 HD2 PRO 17 34.126 3.138 -1.064 113 HD3 PRO 18 HD1 PRO 17 32.765 2.959 0.064 114 HA PRO 19 HA PRO 18 30.887 1.631 -6.508 115 HB2 PRO 19 HB2 PRO 18 28.290 1.590 -7.227 116 HB3 PRO 19 HB1 PRO 18 29.055 0.237 -6.386 117 HG2 PRO 19 HG2 PRO 18 27.308 2.404 -5.293 118 HG3 PRO 19 HG1 PRO 18 27.304 0.670 -4.925 119 HD2 PRO 19 HD2 PRO 18 28.478 2.554 -3.331 120 HD3 PRO 19 HD1 PRO 18 29.012 0.863 -3.412 121 H SER 20 HN SER 19 31.008 2.933 -8.279 122 HA SER 20 HA SER 19 29.551 5.473 -8.288 123 HB2 SER 20 HB2 SER 19 32.533 5.141 -8.288 124 HB3 SER 20 HB1 SER 19 31.805 6.501 -9.142 125 HG SER 20 HG SER 19 31.809 5.914 -6.395 126 HN1 NH2 21 H2 SER 19 32.002 3.680 -10.167 127 HN2 NH2 21 H1 SER 19 31.190 3.831 -11.685 Start of MODEL 13 1 H1 ACE 1 HA2 ALA 1 19.155 1.404 -6.539 2 H2 ACE 1 HA3 ALA 1 20.177 2.125 -7.790 3 H3 ACE 1 HA1 ALA 1 19.965 2.947 -6.235 4 H ALA 2 HN ALA 1 22.319 1.716 -7.796 5 HA ALA 2 HA ALA 1 23.327 -0.455 -6.308 6 HB1 ALA 2 HB2 ALA 1 25.549 0.263 -7.267 7 HB2 ALA 2 HB3 ALA 1 24.693 1.611 -8.016 8 HB3 ALA 2 HB1 ALA 1 24.270 -0.047 -8.440 9 H TYR 3 HN TYR 2 23.902 3.048 -6.017 10 HA TYR 3 HA TYR 2 25.743 2.907 -3.893 11 HB2 TYR 3 HB2 TYR 2 25.301 4.913 -5.355 12 HB3 TYR 3 HB1 TYR 2 23.827 5.181 -4.431 13 HD1 TYR 3 HD1 TYR 2 27.448 5.487 -4.465 14 HD2 TYR 3 HD2 TYR 2 23.963 5.820 -2.045 15 HE1 TYR 3 HE1 TYR 2 28.731 6.768 -2.805 16 HE2 TYR 3 HE2 TYR 2 25.239 7.103 -0.379 17 HH TYR 3 HH TYR 2 28.475 7.183 -0.195 18 H ALA 4 HN ALA 3 22.209 3.169 -3.928 19 HA ALA 4 HA ALA 3 21.808 3.584 -1.184 20 HB1 ALA 4 HB1 ALA 3 20.036 3.897 -2.816 21 HB2 ALA 4 HB2 ALA 3 19.532 2.755 -1.571 22 HB3 ALA 4 HB3 ALA 3 20.022 2.166 -3.159 23 H GLN 5 HN GLN 4 22.205 0.605 -3.056 24 HA GLN 5 HA GLN 4 21.627 -1.202 -0.959 25 HB2 GLN 5 HB2 GLN 4 22.701 -1.345 -3.674 26 HB3 GLN 5 HB1 GLN 4 23.422 -2.532 -2.597 27 HG2 GLN 5 HG2 GLN 4 21.547 -3.750 -2.473 28 HG3 GLN 5 HG1 GLN 4 20.505 -2.332 -2.404 29 HE21 GLN 5 HE21 GLN 4 20.048 -4.721 -3.904 30 HE22 GLN 5 HE22 GLN 4 19.999 -4.278 -5.573 31 H TRP 6 HN TRP 5 24.602 0.375 -2.030 32 HA TRP 6 HA TRP 5 26.482 -1.031 -0.539 33 HB2 TRP 6 HB2 TRP 5 27.205 0.557 -2.193 34 HB3 TRP 6 HB1 TRP 5 26.398 1.879 -1.362 35 HD1 TRP 6 HD1 TRP 5 29.327 -0.583 -0.687 36 HE1 TRP 6 HE1 TRP 5 31.099 0.664 0.694 37 HE3 TRP 6 HE3 TRP 5 26.889 3.868 -0.062 38 HZ2 TRP 6 HZ2 TRP 5 31.427 3.195 1.891 39 HZ3 TRP 6 HZ3 TRP 5 28.006 5.652 1.214 40 HH2 TRP 6 HH2 TRP 5 30.226 5.318 2.170 41 H LEU 7 HN LEU 6 24.488 1.761 0.400 42 HA LEU 7 HA LEU 6 25.574 2.077 2.992 43 HB2 LEU 7 HB2 LEU 6 22.924 2.874 1.799 44 HB3 LEU 7 HB1 LEU 6 23.377 3.270 3.446 45 HG LEU 7 HG LEU 6 24.903 4.148 0.995 46 HD11 LEU 7 HD11 LEU 6 22.989 5.402 0.823 47 HD12 LEU 7 HD12 LEU 6 23.970 6.426 1.874 48 HD13 LEU 7 HD13 LEU 6 22.706 5.409 2.564 49 HD21 LEU 7 HD21 LEU 6 25.158 4.910 3.903 50 HD22 LEU 7 HD22 LEU 6 26.036 5.660 2.569 51 HD23 LEU 7 HD23 LEU 6 26.311 3.963 2.963 52 H ALA 8 HN ALA 7 22.895 0.149 1.729 53 HA ALA 8 HA ALA 7 21.763 -0.659 4.163 54 HB1 ALA 8 HB1 ALA 7 20.593 -0.988 2.083 55 HB2 ALA 8 HB2 ALA 7 20.825 -2.550 2.868 56 HB3 ALA 8 HB3 ALA 7 21.847 -2.087 1.509 57 H ASP 9 HN ASP 8 24.526 -1.918 2.362 58 HA ASP 9 HA ASP 8 24.814 -4.289 3.927 59 HB2 ASP 9 HB2 ASP 8 26.997 -2.964 2.313 60 HB3 ASP 9 HB1 ASP 8 26.853 -4.662 2.746 61 H DAL 10 HN DAL 9 25.558 -1.013 4.539 62 HA DAL 10 HA DAL 9 27.467 -1.770 6.649 63 HB1 DAL 10 HB1 DAL 9 26.343 -0.587 8.262 64 HB2 DAL 10 HB2 DAL 9 24.998 -1.197 7.298 65 HB3 DAL 10 HB3 DAL 9 25.546 0.466 7.092 66 H GLY 11 HN GLY 10 27.554 -0.356 3.841 67 HA2 GLY 11 HA2 GLY 10 28.707 1.370 2.864 68 HA3 GLY 11 HA1 GLY 10 28.401 2.304 4.319 69 HA PRO 12 HA PRO 11 32.914 2.052 4.479 70 HB2 PRO 12 HB2 PRO 11 32.507 3.707 6.895 71 HB3 PRO 12 HB1 PRO 11 33.477 4.034 5.456 72 HG2 PRO 12 HG2 PRO 11 31.182 5.333 5.922 73 HG3 PRO 12 HG1 PRO 11 31.683 4.891 4.279 74 HD2 PRO 12 HD2 PRO 11 29.663 3.588 6.064 75 HD3 PRO 12 HD1 PRO 11 29.598 3.890 4.314 76 H ALA 13 HN ALA 12 30.622 1.335 7.045 77 HA ALA 13 HA ALA 12 32.478 0.294 8.918 78 HB1 ALA 13 HB1 ALA 12 30.424 0.920 9.822 79 HB2 ALA 13 HB2 ALA 12 30.377 -0.843 9.851 80 HB3 ALA 13 HB3 ALA 12 29.508 0.042 8.598 81 H SER 14 HN SER 13 30.608 -1.200 6.301 82 HA SER 14 HA SER 13 31.218 -3.884 6.970 83 HB2 SER 14 HB2 SER 13 30.420 -4.442 4.733 84 HB3 SER 14 HB1 SER 13 29.350 -3.254 5.474 85 HG SER 14 HG SER 13 30.011 -1.763 4.083 86 H DAL 15 HN DAL 14 33.001 -1.414 5.280 87 HA DAL 15 HA DAL 14 35.295 -3.194 5.100 88 HB1 DAL 15 HB1 DAL 14 36.571 -1.183 4.587 89 HB2 DAL 15 HB2 DAL 14 35.584 -0.944 6.030 90 HB3 DAL 15 HB3 DAL 14 35.079 -0.246 4.491 91 H NVA 16 HN NVA 15 33.109 -1.416 2.984 92 HA NVA 16 HA NVA 15 34.418 -2.627 0.641 93 HB2 NVA 16 HB1 NVA 15 31.443 -2.372 1.140 94 HB3 NVA 16 HB2 NVA 15 32.369 -3.865 1.203 95 HG2 NVA 16 HG1 NVA 15 32.447 -2.284 -1.312 96 HG3 NVA 16 HG2 NVA 15 30.977 -3.184 -0.929 97 HD1 NVA 16 HD1 NVA 15 32.000 -4.912 -1.907 98 HD2 NVA 16 HD2 NVA 15 32.944 -5.019 -0.421 99 HD3 NVA 16 HD3 NVA 15 33.584 -4.144 -1.812 100 HA PRO 17 HA PRO 16 34.433 1.579 -0.797 101 HB2 PRO 17 HB2 PRO 16 35.076 1.121 -3.393 102 HB3 PRO 17 HB1 PRO 16 36.248 0.988 -2.076 103 HG2 PRO 17 HG2 PRO 16 34.732 -1.170 -3.490 104 HG3 PRO 17 HG1 PRO 16 36.433 -1.139 -2.989 105 HD2 PRO 17 HD2 PRO 16 34.502 -2.440 -1.589 106 HD3 PRO 17 HD1 PRO 16 35.935 -1.727 -0.823 107 HA PRO 18 HA PRO 17 30.196 2.034 -2.182 108 HB2 PRO 18 HB2 PRO 17 30.527 4.680 -2.994 109 HB3 PRO 18 HB1 PRO 17 30.077 4.153 -1.372 110 HG2 PRO 18 HG2 PRO 17 32.751 4.938 -2.438 111 HG3 PRO 18 HG1 PRO 17 32.034 5.261 -0.848 112 HD2 PRO 18 HD2 PRO 17 33.893 3.366 -1.169 113 HD3 PRO 18 HD1 PRO 17 32.527 3.133 -0.056 114 HA PRO 19 HA PRO 18 30.353 1.070 -6.505 115 HB2 PRO 19 HB2 PRO 18 27.854 2.701 -6.616 116 HB3 PRO 19 HB1 PRO 18 28.165 1.074 -7.231 117 HG2 PRO 19 HG2 PRO 18 26.773 1.430 -4.993 118 HG3 PRO 19 HG1 PRO 18 27.930 0.095 -5.142 119 HD2 PRO 19 HD2 PRO 18 28.178 2.657 -3.643 120 HD3 PRO 19 HD1 PRO 18 28.814 1.050 -3.247 121 H SER 20 HN SER 19 31.934 2.147 -7.549 122 HA SER 20 HA SER 19 31.290 4.626 -8.870 123 HB2 SER 20 HB2 SER 19 32.328 5.050 -6.444 124 HB3 SER 20 HB1 SER 19 33.834 4.798 -7.326 125 HG SER 20 HG SER 19 33.440 6.554 -8.537 126 HN1 NH2 21 H2 SER 19 32.303 4.749 -10.789 127 HN2 NH2 21 H1 SER 19 33.605 3.732 -11.295 Start of MODEL 14 1 H1 ACE 1 HA2 ALA 1 20.269 1.279 -6.749 2 H2 ACE 1 HA3 ALA 1 19.830 -0.344 -7.274 3 H3 ACE 1 HA1 ALA 1 20.255 0.909 -8.470 4 H ALA 2 HN ALA 1 22.307 1.700 -6.239 5 HA ALA 2 HA ALA 1 24.248 -0.433 -6.418 6 HB1 ALA 2 HB2 ALA 1 25.937 1.279 -7.430 7 HB2 ALA 2 HB3 ALA 1 24.483 2.052 -8.061 8 HB3 ALA 2 HB1 ALA 1 24.852 0.381 -8.490 9 H TYR 3 HN TYR 2 24.342 3.120 -5.972 10 HA TYR 3 HA TYR 2 26.126 2.982 -3.772 11 HB2 TYR 3 HB2 TYR 2 25.794 4.962 -5.306 12 HB3 TYR 3 HB1 TYR 2 24.291 5.285 -4.449 13 HD1 TYR 3 HD1 TYR 2 27.913 5.517 -4.346 14 HD2 TYR 3 HD2 TYR 2 24.346 5.966 -2.066 15 HE1 TYR 3 HE1 TYR 2 29.155 6.817 -2.670 16 HE2 TYR 3 HE2 TYR 2 25.584 7.266 -0.382 17 HH TYR 3 HH TYR 2 28.229 7.334 0.319 18 H ALA 4 HN ALA 3 22.604 3.329 -4.009 19 HA ALA 4 HA ALA 3 22.076 3.787 -1.290 20 HB1 ALA 4 HB1 ALA 3 20.339 2.440 -3.356 21 HB2 ALA 4 HB2 ALA 3 20.404 4.168 -3.009 22 HB3 ALA 4 HB3 ALA 3 19.790 3.047 -1.793 23 H GLN 5 HN GLN 4 22.399 0.782 -3.143 24 HA GLN 5 HA GLN 4 21.669 -0.982 -1.052 25 HB2 GLN 5 HB2 GLN 4 22.016 -1.366 -3.651 26 HB3 GLN 5 HB1 GLN 4 23.637 -1.816 -3.140 27 HG2 GLN 5 HG2 GLN 4 22.501 -3.831 -3.181 28 HG3 GLN 5 HG1 GLN 4 22.468 -3.378 -1.478 29 HE21 GLN 5 HE21 GLN 4 20.698 -5.210 -2.628 30 HE22 GLN 5 HE22 GLN 4 19.104 -4.546 -2.570 31 H TRP 6 HN TRP 5 24.739 0.443 -2.053 32 HA TRP 6 HA TRP 5 26.514 -1.053 -0.518 33 HB2 TRP 6 HB2 TRP 5 27.373 0.477 -2.149 34 HB3 TRP 6 HB1 TRP 5 26.585 1.845 -1.375 35 HD1 TRP 6 HD1 TRP 5 29.390 -0.712 -0.552 36 HE1 TRP 6 HE1 TRP 5 31.155 0.490 0.881 37 HE3 TRP 6 HE3 TRP 5 27.094 3.833 -0.070 38 HZ2 TRP 6 HZ2 TRP 5 31.530 3.023 2.058 39 HZ3 TRP 6 HZ3 TRP 5 28.227 5.593 1.227 40 HH2 TRP 6 HH2 TRP 5 30.398 5.192 2.269 41 H LEU 7 HN LEU 6 24.612 1.814 0.365 42 HA LEU 7 HA LEU 6 25.660 2.119 2.976 43 HB2 LEU 7 HB2 LEU 6 23.055 2.985 1.731 44 HB3 LEU 7 HB1 LEU 6 23.502 3.393 3.376 45 HG LEU 7 HG LEU 6 25.093 4.178 0.935 46 HD11 LEU 7 HD11 LEU 6 23.219 5.480 0.688 47 HD12 LEU 7 HD12 LEU 6 24.199 6.500 1.742 48 HD13 LEU 7 HD13 LEU 6 22.892 5.530 2.420 49 HD21 LEU 7 HD21 LEU 6 26.458 4.014 2.933 50 HD22 LEU 7 HD22 LEU 6 25.303 4.997 3.831 51 HD23 LEU 7 HD23 LEU 6 26.219 5.708 2.503 52 H ALA 8 HN ALA 7 22.976 0.243 1.663 53 HA ALA 8 HA ALA 7 21.738 -0.498 4.068 54 HB1 ALA 8 HB1 ALA 7 20.490 -1.990 2.823 55 HB2 ALA 8 HB2 ALA 7 21.823 -2.359 1.730 56 HB3 ALA 8 HB3 ALA 7 20.981 -0.815 1.603 57 H ASP 9 HN ASP 8 24.527 -1.855 2.383 58 HA ASP 9 HA ASP 8 24.688 -4.213 3.992 59 HB2 ASP 9 HB2 ASP 8 26.989 -3.009 2.454 60 HB3 ASP 9 HB1 ASP 8 26.712 -4.698 2.858 61 H DAL 10 HN DAL 9 25.522 -0.950 4.567 62 HA DAL 10 HA DAL 9 27.345 -1.735 6.744 63 HB1 DAL 10 HB1 DAL 9 25.034 -1.208 7.532 64 HB2 DAL 10 HB2 DAL 9 25.270 0.439 6.944 65 HB3 DAL 10 HB3 DAL 9 26.296 -0.193 8.233 66 H GLY 11 HN GLY 10 27.508 -0.340 3.907 67 HA2 GLY 11 HA2 GLY 10 28.721 1.349 2.938 68 HA3 GLY 11 HA1 GLY 10 28.498 2.273 4.415 69 HA PRO 12 HA PRO 11 32.989 1.733 4.480 70 HB2 PRO 12 HB2 PRO 11 32.739 3.377 6.925 71 HB3 PRO 12 HB1 PRO 11 33.701 3.659 5.470 72 HG2 PRO 12 HG2 PRO 11 31.508 5.102 5.994 73 HG3 PRO 12 HG1 PRO 11 31.944 4.644 4.337 74 HD2 PRO 12 HD2 PRO 11 29.880 3.456 6.152 75 HD3 PRO 12 HD1 PRO 11 29.795 3.785 4.410 76 H ALA 13 HN ALA 12 30.706 1.137 7.089 77 HA ALA 13 HA ALA 12 32.524 -0.057 8.906 78 HB1 ALA 13 HB1 ALA 12 30.513 0.708 9.834 79 HB2 ALA 13 HB2 ALA 12 30.394 -1.050 9.891 80 HB3 ALA 13 HB3 ALA 12 29.535 -0.148 8.643 81 H SER 14 HN SER 13 30.524 -1.368 6.291 82 HA SER 14 HA SER 13 30.936 -4.099 6.905 83 HB2 SER 14 HB2 SER 13 30.061 -4.560 4.689 84 HB3 SER 14 HB1 SER 13 29.122 -3.261 5.422 85 HG SER 14 HG SER 13 29.679 -2.788 3.258 86 H DAL 15 HN DAL 14 32.896 -1.743 5.242 87 HA DAL 15 HA DAL 14 35.049 -3.688 5.029 88 HB1 DAL 15 HB1 DAL 14 35.033 -0.712 4.529 89 HB2 DAL 15 HB2 DAL 14 36.461 -1.746 4.507 90 HB3 DAL 15 HB3 DAL 14 35.558 -1.522 6.006 91 H NVA 16 HN NVA 15 32.980 -1.743 2.950 92 HA NVA 16 HA NVA 15 34.209 -3.002 0.587 93 HB2 NVA 16 HB1 NVA 15 31.273 -2.571 1.174 94 HB3 NVA 16 HB2 NVA 15 32.106 -4.113 1.043 95 HG2 NVA 16 HG1 NVA 15 32.515 -2.656 -1.373 96 HG3 NVA 16 HG2 NVA 15 30.792 -2.660 -0.986 97 HD1 NVA 16 HD1 NVA 15 32.574 -5.082 -1.178 98 HD2 NVA 16 HD2 NVA 15 31.375 -4.571 -2.367 99 HD3 NVA 16 HD3 NVA 15 30.860 -5.097 -0.764 100 HA PRO 17 HA PRO 16 34.600 1.210 -0.782 101 HB2 PRO 17 HB2 PRO 16 35.179 0.731 -3.393 102 HB3 PRO 17 HB1 PRO 16 36.347 0.498 -2.088 103 HG2 PRO 17 HG2 PRO 16 34.662 -1.525 -3.507 104 HG3 PRO 17 HG1 PRO 16 36.360 -1.632 -3.011 105 HD2 PRO 17 HD2 PRO 16 34.344 -2.793 -1.616 106 HD3 PRO 17 HD1 PRO 16 35.824 -2.190 -0.846 107 HA PRO 18 HA PRO 17 30.383 1.993 -2.135 108 HB2 PRO 18 HB2 PRO 17 30.864 4.665 -2.733 109 HB3 PRO 18 HB1 PRO 17 30.392 4.045 -1.149 110 HG2 PRO 18 HG2 PRO 17 33.106 4.742 -2.180 111 HG3 PRO 18 HG1 PRO 17 32.411 5.014 -0.572 112 HD2 PRO 18 HD2 PRO 17 34.147 3.031 -1.006 113 HD3 PRO 18 HD1 PRO 17 32.764 2.812 0.088 114 HA PRO 19 HA PRO 18 31.014 1.615 -6.537 115 HB2 PRO 19 HB2 PRO 18 28.426 1.539 -7.296 116 HB3 PRO 19 HB1 PRO 18 29.208 0.185 -6.474 117 HG2 PRO 19 HG2 PRO 18 27.397 2.286 -5.362 118 HG3 PRO 19 HG1 PRO 18 27.433 0.546 -5.026 119 HD2 PRO 19 HD2 PRO 18 28.537 2.434 -3.385 120 HD3 PRO 19 HD1 PRO 18 29.110 0.759 -3.480 121 H SER 20 HN SER 19 31.552 3.170 -7.924 122 HA SER 20 HA SER 19 29.765 5.391 -8.449 123 HB2 SER 20 HB2 SER 19 31.597 7.081 -8.083 124 HB3 SER 20 HB1 SER 19 30.986 6.338 -6.606 125 HG SER 20 HG SER 19 32.834 5.279 -6.347 126 HN1 NH2 21 H2 SER 19 30.107 6.349 -10.445 127 HN2 NH2 21 H1 SER 19 31.247 5.747 -11.595 Start of MODEL 15 1 H1 ACE 1 HA2 ALA 1 19.440 1.419 -6.390 2 H2 ACE 1 HA3 ALA 1 20.385 2.276 -7.616 3 H3 ACE 1 HA1 ALA 1 20.189 2.974 -6.001 4 H ALA 2 HN ALA 1 22.610 2.189 -7.570 5 HA ALA 2 HA ALA 1 23.753 -0.109 -6.334 6 HB1 ALA 2 HB2 ALA 1 24.395 1.278 -8.528 7 HB2 ALA 2 HB3 ALA 1 25.543 0.243 -7.679 8 HB3 ALA 2 HB1 ALA 1 25.553 1.984 -7.400 9 H TYR 3 HN TYR 2 24.246 3.393 -5.832 10 HA TYR 3 HA TYR 2 26.052 3.119 -3.677 11 HB2 TYR 3 HB2 TYR 2 25.690 5.192 -5.073 12 HB3 TYR 3 HB1 TYR 2 24.201 5.458 -4.173 13 HD1 TYR 3 HD1 TYR 2 27.841 5.618 -4.081 14 HD2 TYR 3 HD2 TYR 2 24.280 6.064 -1.792 15 HE1 TYR 3 HE1 TYR 2 29.112 6.808 -2.345 16 HE2 TYR 3 HE2 TYR 2 25.547 7.258 -0.051 17 HH TYR 3 HH TYR 2 28.790 7.191 0.241 18 H ALA 4 HN ALA 3 22.527 3.439 -3.814 19 HA ALA 4 HA ALA 3 22.059 3.754 -1.059 20 HB1 ALA 4 HB1 ALA 3 20.328 4.241 -2.646 21 HB2 ALA 4 HB2 ALA 3 19.764 2.953 -1.578 22 HB3 ALA 4 HB3 ALA 3 20.312 2.570 -3.212 23 H GLN 5 HN GLN 4 22.338 0.848 -3.077 24 HA GLN 5 HA GLN 4 21.661 -1.034 -1.082 25 HB2 GLN 5 HB2 GLN 4 22.282 -1.146 -3.775 26 HB3 GLN 5 HB1 GLN 4 23.642 -1.967 -3.025 27 HG2 GLN 5 HG2 GLN 4 22.215 -3.714 -3.374 28 HG3 GLN 5 HG1 GLN 4 21.783 -3.255 -1.728 29 HE21 GLN 5 HE21 GLN 4 19.678 -3.307 -1.405 30 HE22 GLN 5 HE22 GLN 4 18.458 -2.880 -2.552 31 H TRP 6 HN TRP 5 24.700 0.480 -2.023 32 HA TRP 6 HA TRP 5 26.501 -1.061 -0.554 33 HB2 TRP 6 HB2 TRP 5 27.316 0.520 -2.169 34 HB3 TRP 6 HB1 TRP 5 26.552 1.861 -1.326 35 HD1 TRP 6 HD1 TRP 5 29.379 -0.723 -0.663 36 HE1 TRP 6 HE1 TRP 5 31.181 0.437 0.759 37 HE3 TRP 6 HE3 TRP 5 27.093 3.798 0.024 38 HZ2 TRP 6 HZ2 TRP 5 31.584 2.931 2.007 39 HZ3 TRP 6 HZ3 TRP 5 28.258 5.518 1.346 40 HH2 TRP 6 HH2 TRP 5 30.457 5.090 2.316 41 H LEU 7 HN LEU 6 24.600 1.780 0.418 42 HA LEU 7 HA LEU 6 25.675 2.022 3.024 43 HB2 LEU 7 HB2 LEU 6 23.083 2.940 1.797 44 HB3 LEU 7 HB1 LEU 6 23.486 3.262 3.472 45 HG LEU 7 HG LEU 6 25.082 4.196 1.085 46 HD11 LEU 7 HD11 LEU 6 23.267 5.580 1.003 47 HD12 LEU 7 HD12 LEU 6 24.266 6.452 2.165 48 HD13 LEU 7 HD13 LEU 6 22.939 5.437 2.730 49 HD21 LEU 7 HD21 LEU 6 26.508 3.828 3.009 50 HD22 LEU 7 HD22 LEU 6 25.403 4.743 4.035 51 HD23 LEU 7 HD23 LEU 6 26.290 5.559 2.748 52 H ALA 8 HN ALA 7 22.977 0.172 1.702 53 HA ALA 8 HA ALA 7 21.753 -0.613 4.095 54 HB1 ALA 8 HB1 ALA 7 20.388 -1.214 2.412 55 HB2 ALA 8 HB2 ALA 7 21.268 -2.739 2.496 56 HB3 ALA 8 HB3 ALA 7 21.720 -1.525 1.299 57 H ASP 9 HN ASP 8 24.534 -1.958 2.379 58 HA ASP 9 HA ASP 8 24.721 -4.312 3.994 59 HB2 ASP 9 HB2 ASP 8 27.017 -3.125 2.444 60 HB3 ASP 9 HB1 ASP 8 26.704 -4.815 2.816 61 H DAL 10 HN DAL 9 25.551 -1.052 4.559 62 HA DAL 10 HA DAL 9 27.397 -1.831 6.719 63 HB1 DAL 10 HB1 DAL 9 25.937 0.572 7.344 64 HB2 DAL 10 HB2 DAL 9 26.071 -0.932 8.256 65 HB3 DAL 10 HB3 DAL 9 24.834 -0.763 7.010 66 H GLY 11 HN GLY 10 27.512 -0.435 3.854 67 HA2 GLY 11 HA2 GLY 10 28.771 1.199 2.854 68 HA3 GLY 11 HA1 GLY 10 28.563 2.152 4.314 69 HA PRO 12 HA PRO 11 33.045 1.579 4.422 70 HB2 PRO 12 HB2 PRO 11 32.782 3.171 6.900 71 HB3 PRO 12 HB1 PRO 11 33.758 3.480 5.462 72 HG2 PRO 12 HG2 PRO 11 31.568 4.923 5.995 73 HG3 PRO 12 HG1 PRO 11 32.017 4.496 4.333 74 HD2 PRO 12 HD2 PRO 11 29.930 3.284 6.104 75 HD3 PRO 12 HD1 PRO 11 29.865 3.647 4.366 76 H ALA 13 HN ALA 12 30.738 0.934 6.994 77 HA ALA 13 HA ALA 12 32.531 -0.305 8.805 78 HB1 ALA 13 HB1 ALA 12 29.544 -0.413 8.501 79 HB2 ALA 13 HB2 ALA 12 30.497 0.447 9.709 80 HB3 ALA 13 HB3 ALA 12 30.402 -1.313 9.752 81 H SER 14 HN SER 13 30.570 -1.553 6.132 82 HA SER 14 HA SER 13 31.000 -4.299 6.687 83 HB2 SER 14 HB2 SER 13 30.127 -4.715 4.457 84 HB3 SER 14 HB1 SER 13 29.168 -3.458 5.236 85 HG SER 14 HG SER 13 29.900 -2.017 3.848 86 H DAL 15 HN DAL 14 32.933 -1.880 5.092 87 HA DAL 15 HA DAL 14 35.109 -3.787 4.828 88 HB1 DAL 15 HB1 DAL 14 35.578 -1.620 5.830 89 HB2 DAL 15 HB2 DAL 14 35.045 -0.807 4.359 90 HB3 DAL 15 HB3 DAL 14 36.488 -1.820 4.333 91 H NVA 16 HN NVA 15 33.014 -1.835 2.778 92 HA NVA 16 HA NVA 15 34.251 -3.052 0.397 93 HB2 NVA 16 HB1 NVA 15 31.307 -2.620 0.947 94 HB3 NVA 16 HB2 NVA 15 32.134 -4.168 0.885 95 HG2 NVA 16 HG1 NVA 15 32.231 -2.408 -1.515 96 HG3 NVA 16 HG2 NVA 15 30.745 -3.294 -1.157 97 HD1 NVA 16 HD1 NVA 15 31.858 -5.382 -1.284 98 HD2 NVA 16 HD2 NVA 15 33.443 -4.609 -1.316 99 HD3 NVA 16 HD3 NVA 15 32.358 -4.453 -2.697 100 HA PRO 17 HA PRO 16 34.612 1.168 -0.948 101 HB2 PRO 17 HB2 PRO 16 35.103 0.723 -3.583 102 HB3 PRO 17 HB1 PRO 16 36.310 0.456 -2.320 103 HG2 PRO 17 HG2 PRO 16 34.545 -1.527 -3.703 104 HG3 PRO 17 HG1 PRO 16 36.265 -1.657 -3.288 105 HD2 PRO 17 HD2 PRO 16 34.317 -2.826 -1.816 106 HD3 PRO 17 HD1 PRO 16 35.823 -2.222 -1.098 107 HA PRO 18 HA PRO 17 30.358 1.979 -2.151 108 HB2 PRO 18 HB2 PRO 17 30.805 4.671 -2.659 109 HB3 PRO 18 HB1 PRO 17 30.390 3.988 -1.085 110 HG2 PRO 18 HG2 PRO 17 33.062 4.747 -2.179 111 HG3 PRO 18 HG1 PRO 17 32.420 4.951 -0.538 112 HD2 PRO 18 HD2 PRO 17 34.157 2.999 -1.118 113 HD3 PRO 18 HD1 PRO 17 32.823 2.733 0.026 114 HA PRO 19 HA PRO 18 30.838 1.803 -6.585 115 HB2 PRO 19 HB2 PRO 18 28.230 1.702 -7.254 116 HB3 PRO 19 HB1 PRO 18 29.060 0.337 -6.498 117 HG2 PRO 19 HG2 PRO 18 27.249 2.370 -5.267 118 HG3 PRO 19 HG1 PRO 18 27.332 0.623 -4.980 119 HD2 PRO 19 HD2 PRO 18 28.460 2.507 -3.336 120 HD3 PRO 19 HD1 PRO 18 29.036 0.835 -3.469 121 H SER 20 HN SER 19 31.680 3.757 -7.210 122 HA SER 20 HA SER 19 29.819 5.688 -8.280 123 HB2 SER 20 HB2 SER 19 31.082 7.598 -7.091 124 HB3 SER 20 HB1 SER 19 29.893 6.695 -6.153 125 HG SER 20 HG SER 19 31.453 5.819 -4.982 126 HN1 NH2 21 H2 SER 19 30.571 6.164 -10.225 127 HN2 NH2 21 H1 SER 19 32.233 6.242 -10.690 Start of MODEL 16 1 H1 ACE 1 HA2 ALA 1 19.721 0.097 -6.484 2 H2 ACE 1 HA3 ALA 1 20.461 1.111 -7.731 3 H3 ACE 1 HA1 ALA 1 20.270 1.732 -6.086 4 H ALA 2 HN ALA 1 22.727 1.855 -7.217 5 HA ALA 2 HA ALA 1 24.248 -0.465 -6.301 6 HB1 ALA 2 HB2 ALA 1 24.851 0.378 -8.471 7 HB2 ALA 2 HB3 ALA 1 26.180 0.682 -7.352 8 HB3 ALA 2 HB1 ALA 1 25.101 1.997 -7.818 9 H TYR 3 HN TYR 2 24.474 3.088 -5.913 10 HA TYR 3 HA TYR 2 26.211 2.939 -3.669 11 HB2 TYR 3 HB2 TYR 2 25.948 4.920 -5.216 12 HB3 TYR 3 HB1 TYR 2 24.421 5.261 -4.409 13 HD1 TYR 3 HD1 TYR 2 28.059 5.353 -4.129 14 HD2 TYR 3 HD2 TYR 2 24.389 6.057 -2.090 15 HE1 TYR 3 HE1 TYR 2 29.263 6.642 -2.416 16 HE2 TYR 3 HE2 TYR 2 25.589 7.348 -0.372 17 HH TYR 3 HH TYR 2 28.219 8.713 -0.589 18 H ALA 4 HN ALA 3 22.703 3.359 -4.005 19 HA ALA 4 HA ALA 3 22.106 3.831 -1.306 20 HB1 ALA 4 HB1 ALA 3 20.450 4.275 -2.960 21 HB2 ALA 4 HB2 ALA 3 19.818 3.010 -1.905 22 HB3 ALA 4 HB3 ALA 3 20.450 2.595 -3.499 23 H GLN 5 HN GLN 4 22.403 0.796 -3.128 24 HA GLN 5 HA GLN 4 21.595 -0.918 -1.021 25 HB2 GLN 5 HB2 GLN 4 21.689 -1.578 -3.426 26 HB3 GLN 5 HB1 GLN 4 23.444 -1.560 -3.329 27 HG2 GLN 5 HG2 GLN 4 22.610 -3.819 -3.162 28 HG3 GLN 5 HG1 GLN 4 23.370 -3.334 -1.647 29 HE21 GLN 5 HE21 GLN 4 22.191 -3.336 0.196 30 HE22 GLN 5 HE22 GLN 4 20.527 -3.788 0.286 31 H TRP 6 HN TRP 5 24.715 0.400 -2.017 32 HA TRP 6 HA TRP 5 26.429 -1.115 -0.438 33 HB2 TRP 6 HB2 TRP 5 27.371 0.349 -2.069 34 HB3 TRP 6 HB1 TRP 5 26.584 1.755 -1.366 35 HD1 TRP 6 HD1 TRP 5 29.310 -0.820 -0.348 36 HE1 TRP 6 HE1 TRP 5 31.049 0.403 1.094 37 HE3 TRP 6 HE3 TRP 5 27.102 3.787 -0.147 38 HZ2 TRP 6 HZ2 TRP 5 31.439 2.977 2.176 39 HZ3 TRP 6 HZ3 TRP 5 28.228 5.578 1.113 40 HH2 TRP 6 HH2 TRP 5 30.354 5.176 2.248 41 H LEU 7 HN LEU 6 24.583 1.802 0.385 42 HA LEU 7 HA LEU 6 25.624 2.134 2.993 43 HB2 LEU 7 HB2 LEU 6 23.024 3.019 1.747 44 HB3 LEU 7 HB1 LEU 6 23.515 3.474 3.367 45 HG LEU 7 HG LEU 6 25.086 4.136 0.875 46 HD11 LEU 7 HD11 LEU 6 24.181 6.504 1.759 47 HD12 LEU 7 HD12 LEU 6 22.817 5.476 2.198 48 HD13 LEU 7 HD13 LEU 6 23.363 5.547 0.522 49 HD21 LEU 7 HD21 LEU 6 26.240 5.716 2.371 50 HD22 LEU 7 HD22 LEU 6 26.461 4.039 2.871 51 HD23 LEU 7 HD23 LEU 6 25.324 5.074 3.734 52 H ALA 8 HN ALA 7 22.855 0.333 1.724 53 HA ALA 8 HA ALA 7 21.651 -0.359 4.161 54 HB1 ALA 8 HB1 ALA 7 20.257 -0.847 2.431 55 HB2 ALA 8 HB2 ALA 7 20.947 -2.451 2.681 56 HB3 ALA 8 HB3 ALA 7 21.562 -1.417 1.391 57 H ASP 9 HN ASP 8 24.357 -1.801 2.421 58 HA ASP 9 HA ASP 8 24.485 -4.164 4.025 59 HB2 ASP 9 HB2 ASP 8 26.774 -3.014 2.428 60 HB3 ASP 9 HB1 ASP 8 26.483 -4.694 2.854 61 H DAL 10 HN DAL 9 25.428 -0.928 4.591 62 HA DAL 10 HA DAL 9 27.295 -1.769 6.708 63 HB1 DAL 10 HB1 DAL 9 25.149 0.334 6.963 64 HB2 DAL 10 HB2 DAL 9 26.319 -0.114 8.204 65 HB3 DAL 10 HB3 DAL 9 25.104 -1.277 7.677 66 H GLY 11 HN GLY 10 27.449 -0.383 3.899 67 HA2 GLY 11 HA2 GLY 10 28.656 1.302 2.912 68 HA3 GLY 11 HA1 GLY 10 28.428 2.240 4.379 69 HA PRO 12 HA PRO 11 32.919 1.748 4.506 70 HB2 PRO 12 HB2 PRO 11 32.608 3.284 7.014 71 HB3 PRO 12 HB1 PRO 11 33.591 3.639 5.591 72 HG2 PRO 12 HG2 PRO 11 31.370 5.032 6.133 73 HG3 PRO 12 HG1 PRO 11 31.843 4.647 4.467 74 HD2 PRO 12 HD2 PRO 11 29.760 3.365 6.193 75 HD3 PRO 12 HD1 PRO 11 29.706 3.757 4.461 76 H ALA 13 HN ALA 12 30.606 1.008 7.044 77 HA ALA 13 HA ALA 12 32.400 -0.231 8.852 78 HB1 ALA 13 HB1 ALA 12 30.374 0.388 9.802 79 HB2 ALA 13 HB2 ALA 12 30.230 -1.364 9.665 80 HB3 ALA 13 HB3 ALA 12 29.428 -0.320 8.492 81 H SER 14 HN SER 13 30.499 -1.473 6.128 82 HA SER 14 HA SER 13 31.021 -4.216 6.623 83 HB2 SER 14 HB2 SER 13 30.160 -4.618 4.393 84 HB3 SER 14 HB1 SER 13 29.167 -3.391 5.180 85 HG SER 14 HG SER 13 29.563 -2.350 3.383 86 H DAL 15 HN DAL 14 32.870 -1.692 5.092 87 HA DAL 15 HA DAL 14 35.153 -3.451 4.881 88 HB1 DAL 15 HB1 DAL 14 34.822 -0.513 4.291 89 HB2 DAL 15 HB2 DAL 14 36.349 -1.386 4.171 90 HB3 DAL 15 HB3 DAL 14 35.537 -1.240 5.730 91 H NVA 16 HN NVA 15 32.997 -1.719 2.673 92 HA NVA 16 HA NVA 15 34.286 -3.088 0.407 93 HB2 NVA 16 HB1 NVA 15 31.353 -2.769 1.023 94 HB3 NVA 16 HB2 NVA 15 32.256 -4.261 0.813 95 HG2 NVA 16 HG1 NVA 15 32.645 -3.477 -1.592 96 HG3 NVA 16 HG2 NVA 15 31.357 -2.310 -1.275 97 HD1 NVA 16 HD1 NVA 15 29.810 -4.087 -0.778 98 HD2 NVA 16 HD2 NVA 15 31.090 -5.290 -0.929 99 HD3 NVA 16 HD3 NVA 15 30.554 -4.391 -2.347 100 HA PRO 17 HA PRO 16 34.918 1.151 -0.991 101 HB2 PRO 17 HB2 PRO 16 35.072 -0.311 -3.590 102 HB3 PRO 17 HB1 PRO 16 36.159 0.911 -2.921 103 HG2 PRO 17 HG2 PRO 16 36.820 -1.674 -2.903 104 HG3 PRO 17 HG1 PRO 16 37.238 -0.607 -1.550 105 HD2 PRO 17 HD2 PRO 16 35.146 -2.713 -1.723 106 HD3 PRO 17 HD1 PRO 16 36.079 -2.150 -0.323 107 HA PRO 18 HA PRO 17 30.555 1.833 -2.040 108 HB2 PRO 18 HB2 PRO 17 31.001 4.544 -2.537 109 HB3 PRO 18 HB1 PRO 17 30.540 3.846 -0.982 110 HG2 PRO 18 HG2 PRO 17 33.246 4.602 -1.996 111 HG3 PRO 18 HG1 PRO 17 32.562 4.799 -0.372 112 HD2 PRO 18 HD2 PRO 17 34.297 2.849 -0.873 113 HD3 PRO 18 HD1 PRO 17 32.883 2.546 0.166 114 HA PRO 19 HA PRO 18 31.035 1.671 -6.479 115 HB2 PRO 19 HB2 PRO 18 28.417 1.578 -7.141 116 HB3 PRO 19 HB1 PRO 18 29.266 0.198 -6.438 117 HG2 PRO 19 HG2 PRO 18 27.456 2.179 -5.122 118 HG3 PRO 19 HG1 PRO 18 27.547 0.424 -4.897 119 HD2 PRO 19 HD2 PRO 18 28.671 2.226 -3.185 120 HD3 PRO 19 HD1 PRO 18 29.292 0.582 -3.421 121 H SER 20 HN SER 19 31.714 3.463 -7.475 122 HA SER 20 HA SER 19 29.830 5.707 -7.753 123 HB2 SER 20 HB2 SER 19 32.763 5.817 -7.051 124 HB3 SER 20 HB1 SER 19 31.914 7.201 -7.741 125 HG SER 20 HG SER 19 31.909 7.261 -5.460 126 HN1 NH2 21 H2 SER 19 32.958 4.542 -9.022 127 HN2 NH2 21 H1 SER 19 32.573 4.813 -10.684 Start of MODEL 17 1 H1 ACE 1 HA2 ALA 1 19.945 2.265 -6.644 2 H2 ACE 1 HA3 ALA 1 19.355 0.762 -7.347 3 H3 ACE 1 HA1 ALA 1 19.905 2.095 -8.398 4 H ALA 2 HN ALA 1 21.978 2.353 -6.014 5 HA ALA 2 HA ALA 1 23.708 0.101 -6.403 6 HB1 ALA 2 HB2 ALA 1 25.573 1.521 -7.397 7 HB2 ALA 2 HB3 ALA 1 24.317 2.686 -7.816 8 HB3 ALA 2 HB1 ALA 1 24.265 1.054 -8.483 9 H TYR 3 HN TYR 2 24.106 3.602 -5.737 10 HA TYR 3 HA TYR 2 25.948 3.236 -3.636 11 HB2 TYR 3 HB2 TYR 2 25.581 5.361 -4.943 12 HB3 TYR 3 HB1 TYR 2 24.114 5.613 -4.003 13 HD1 TYR 3 HD1 TYR 2 27.766 5.682 -3.957 14 HD2 TYR 3 HD2 TYR 2 24.239 6.181 -1.628 15 HE1 TYR 3 HE1 TYR 2 29.086 6.792 -2.205 16 HE2 TYR 3 HE2 TYR 2 25.552 7.294 0.128 17 HH TYR 3 HH TYR 2 28.162 8.675 -0.119 18 H ALA 4 HN ALA 3 22.422 3.633 -3.642 19 HA ALA 4 HA ALA 3 22.051 3.841 -0.866 20 HB1 ALA 4 HB1 ALA 3 20.258 4.411 -2.340 21 HB2 ALA 4 HB2 ALA 3 19.727 3.059 -1.341 22 HB3 ALA 4 HB3 ALA 3 20.218 2.780 -3.011 23 H GLN 5 HN GLN 4 22.249 1.016 -2.999 24 HA GLN 5 HA GLN 4 21.603 -0.939 -1.062 25 HB2 GLN 5 HB2 GLN 4 21.849 -1.084 -3.685 26 HB3 GLN 5 HB1 GLN 4 23.502 -1.535 -3.298 27 HG2 GLN 5 HG2 GLN 4 21.716 -3.039 -1.659 28 HG3 GLN 5 HG1 GLN 4 21.211 -3.166 -3.343 29 HE21 GLN 5 HE21 GLN 4 23.241 -4.388 -0.998 30 HE22 GLN 5 HE22 GLN 4 24.335 -5.254 -2.016 31 H TRP 6 HN TRP 5 24.630 0.585 -2.030 32 HA TRP 6 HA TRP 5 26.457 -1.033 -0.683 33 HB2 TRP 6 HB2 TRP 5 27.263 0.599 -2.237 34 HB3 TRP 6 HB1 TRP 5 26.505 1.913 -1.350 35 HD1 TRP 6 HD1 TRP 5 29.331 -0.690 -0.768 36 HE1 TRP 6 HE1 TRP 5 31.150 0.434 0.661 37 HE3 TRP 6 HE3 TRP 5 27.072 3.827 0.025 38 HZ2 TRP 6 HZ2 TRP 5 31.574 2.900 1.955 39 HZ3 TRP 6 HZ3 TRP 5 28.255 5.514 1.372 40 HH2 TRP 6 HH2 TRP 5 30.459 5.057 2.316 41 H LEU 7 HN LEU 6 24.629 1.792 0.460 42 HA LEU 7 HA LEU 6 25.764 1.917 3.043 43 HB2 LEU 7 HB2 LEU 6 23.111 2.860 1.963 44 HB3 LEU 7 HB1 LEU 6 23.632 3.167 3.609 45 HG LEU 7 HG LEU 6 25.106 4.105 1.148 46 HD11 LEU 7 HD11 LEU 6 24.245 6.359 2.285 47 HD12 LEU 7 HD12 LEU 6 22.920 5.291 2.748 48 HD13 LEU 7 HD13 LEU 6 23.328 5.502 1.045 49 HD21 LEU 7 HD21 LEU 6 25.473 4.725 4.078 50 HD22 LEU 7 HD22 LEU 6 26.322 5.524 2.754 51 HD23 LEU 7 HD23 LEU 6 26.575 3.805 3.053 52 H ALA 8 HN ALA 7 23.019 0.131 1.724 53 HA ALA 8 HA ALA 7 21.878 -0.756 4.125 54 HB1 ALA 8 HB1 ALA 7 20.422 -1.331 2.529 55 HB2 ALA 8 HB2 ALA 7 21.376 -2.807 2.381 56 HB3 ALA 8 HB3 ALA 7 21.677 -1.451 1.296 57 H ASP 9 HN ASP 8 24.587 -2.023 2.245 58 HA ASP 9 HA ASP 8 24.817 -4.460 3.720 59 HB2 ASP 9 HB2 ASP 8 27.001 -3.127 2.108 60 HB3 ASP 9 HB1 ASP 8 26.853 -4.833 2.513 61 H DAL 10 HN DAL 9 25.658 -1.233 4.447 62 HA DAL 10 HA DAL 9 27.571 -2.124 6.501 63 HB1 DAL 10 HB1 DAL 9 26.569 -0.710 8.124 64 HB2 DAL 10 HB2 DAL 9 25.272 -1.651 7.386 65 HB3 DAL 10 HB3 DAL 9 25.516 0.033 6.920 66 H GLY 11 HN GLY 10 27.680 -0.621 3.749 67 HA2 GLY 11 HA2 GLY 10 28.867 1.112 2.822 68 HA3 GLY 11 HA1 GLY 10 28.615 1.996 4.319 69 HA PRO 12 HA PRO 11 33.118 1.573 4.399 70 HB2 PRO 12 HB2 PRO 11 32.809 3.149 6.881 71 HB3 PRO 12 HB1 PRO 11 33.771 3.493 5.439 72 HG2 PRO 12 HG2 PRO 11 31.536 4.864 5.984 73 HG3 PRO 12 HG1 PRO 11 31.993 4.457 4.319 74 HD2 PRO 12 HD2 PRO 11 29.954 3.170 6.094 75 HD3 PRO 12 HD1 PRO 11 29.869 3.539 4.359 76 H ALA 13 HN ALA 12 30.836 0.843 6.971 77 HA ALA 13 HA ALA 12 32.681 -0.329 8.776 78 HB1 ALA 13 HB1 ALA 12 30.507 -1.459 9.643 79 HB2 ALA 13 HB2 ALA 12 29.707 -0.373 8.506 80 HB3 ALA 13 HB3 ALA 12 30.709 0.286 9.797 81 H SER 14 HN SER 13 30.683 -1.680 6.171 82 HA SER 14 HA SER 13 31.263 -4.397 6.750 83 HB2 SER 14 HB2 SER 13 30.395 -4.843 4.466 84 HB3 SER 14 HB1 SER 13 29.325 -3.809 5.409 85 HG SER 14 HG SER 13 30.926 -3.181 3.203 86 H DAL 15 HN DAL 14 33.015 -1.920 5.046 87 HA DAL 15 HA DAL 14 35.255 -3.736 4.699 88 HB1 DAL 15 HB1 DAL 14 35.022 -0.768 4.207 89 HB2 DAL 15 HB2 DAL 14 36.509 -1.707 4.082 90 HB3 DAL 15 HB3 DAL 14 35.696 -1.546 5.639 91 H NVA 16 HN NVA 15 33.052 -1.821 2.703 92 HA NVA 16 HA NVA 15 34.167 -3.114 0.304 93 HB2 NVA 16 HB1 NVA 15 31.255 -2.609 0.956 94 HB3 NVA 16 HB2 NVA 15 32.050 -4.174 0.899 95 HG2 NVA 16 HG1 NVA 15 32.154 -2.519 -1.557 96 HG3 NVA 16 HG2 NVA 15 30.603 -3.240 -1.117 97 HD1 NVA 16 HD1 NVA 15 31.700 -4.769 -2.562 98 HD2 NVA 16 HD2 NVA 15 31.799 -5.441 -0.934 99 HD3 NVA 16 HD3 NVA 15 33.205 -4.651 -1.649 100 HA PRO 17 HA PRO 16 34.597 1.059 -1.142 101 HB2 PRO 17 HB2 PRO 16 34.935 0.543 -3.793 102 HB3 PRO 17 HB1 PRO 16 36.199 0.287 -2.586 103 HG2 PRO 17 HG2 PRO 16 34.340 -1.696 -3.834 104 HG3 PRO 17 HG1 PRO 16 36.071 -1.851 -3.481 105 HD2 PRO 17 HD2 PRO 16 34.154 -2.939 -1.906 106 HD3 PRO 17 HD1 PRO 16 35.701 -2.353 -1.263 107 HA PRO 18 HA PRO 17 30.309 1.972 -2.167 108 HB2 PRO 18 HB2 PRO 17 30.786 4.662 -2.617 109 HB3 PRO 18 HB1 PRO 17 30.439 3.949 -1.040 110 HG2 PRO 18 HG2 PRO 17 33.071 4.670 -2.258 111 HG3 PRO 18 HG1 PRO 17 32.513 4.878 -0.587 112 HD2 PRO 18 HD2 PRO 17 34.170 2.890 -1.251 113 HD3 PRO 18 HD1 PRO 17 32.876 2.643 -0.058 114 HA PRO 19 HA PRO 18 30.663 1.960 -6.613 115 HB2 PRO 19 HB2 PRO 18 28.048 1.892 -7.222 116 HB3 PRO 19 HB1 PRO 18 28.869 0.506 -6.493 117 HG2 PRO 19 HG2 PRO 18 27.109 2.554 -5.213 118 HG3 PRO 19 HG1 PRO 18 27.173 0.805 -4.941 119 HD2 PRO 19 HD2 PRO 18 28.369 2.681 -3.316 120 HD3 PRO 19 HD1 PRO 18 28.883 0.988 -3.438 121 H SER 20 HN SER 19 31.578 4.144 -6.613 122 HA SER 20 HA SER 19 29.690 6.078 -7.748 123 HB2 SER 20 HB2 SER 19 31.688 6.694 -5.556 124 HB3 SER 20 HB1 SER 19 30.792 7.913 -6.463 125 HG SER 20 HG SER 19 29.665 7.504 -4.593 126 HN1 NH2 21 H2 SER 19 31.006 4.801 -9.511 127 HN2 NH2 21 H1 SER 19 32.418 5.615 -10.083 Start of MODEL 18 1 H1 ACE 1 HA2 ALA 1 19.648 -0.291 -7.401 2 H2 ACE 1 HA3 ALA 1 20.158 1.226 -8.154 3 H3 ACE 1 HA1 ALA 1 19.992 1.126 -6.397 4 H ALA 2 HN ALA 1 22.211 1.925 -6.388 5 HA ALA 2 HA ALA 1 24.097 -0.311 -6.445 6 HB1 ALA 2 HB2 ALA 1 24.414 2.248 -7.976 7 HB2 ALA 2 HB3 ALA 1 24.625 0.588 -8.531 8 HB3 ALA 2 HB1 ALA 1 25.815 1.313 -7.451 9 H TYR 3 HN TYR 2 24.270 3.231 -5.935 10 HA TYR 3 HA TYR 2 26.042 3.023 -3.746 11 HB2 TYR 3 HB2 TYR 2 25.723 5.055 -5.202 12 HB3 TYR 3 HB1 TYR 2 24.210 5.351 -4.350 13 HD1 TYR 3 HD1 TYR 2 27.844 5.521 -4.175 14 HD2 TYR 3 HD2 TYR 2 24.232 6.000 -1.975 15 HE1 TYR 3 HE1 TYR 2 29.071 6.753 -2.436 16 HE2 TYR 3 HE2 TYR 2 25.454 7.231 -0.231 17 HH TYR 3 HH TYR 2 27.989 8.694 -0.442 18 H ALA 4 HN ALA 3 22.521 3.371 -3.943 19 HA ALA 4 HA ALA 3 22.004 3.775 -1.217 20 HB1 ALA 4 HB1 ALA 3 19.723 2.975 -1.730 21 HB2 ALA 4 HB2 ALA 3 20.287 2.465 -3.321 22 HB3 ALA 4 HB3 ALA 3 20.307 4.173 -2.884 23 H GLN 5 HN GLN 4 22.343 0.791 -3.106 24 HA GLN 5 HA GLN 4 21.646 -0.994 -1.022 25 HB2 GLN 5 HB2 GLN 4 22.202 -1.249 -3.705 26 HB3 GLN 5 HB1 GLN 4 23.598 -2.014 -2.960 27 HG2 GLN 5 HG2 GLN 4 20.882 -2.751 -1.998 28 HG3 GLN 5 HG1 GLN 4 21.442 -3.383 -3.546 29 HE21 GLN 5 HE21 GLN 4 22.907 -5.009 -3.580 30 HE22 GLN 5 HE22 GLN 4 23.569 -5.749 -2.165 31 H TRP 6 HN TRP 5 24.697 0.446 -2.052 32 HA TRP 6 HA TRP 5 26.501 -1.047 -0.554 33 HB2 TRP 6 HB2 TRP 5 27.321 0.509 -2.181 34 HB3 TRP 6 HB1 TRP 5 26.535 1.862 -1.378 35 HD1 TRP 6 HD1 TRP 5 29.389 -0.669 -0.642 36 HE1 TRP 6 HE1 TRP 5 31.163 0.536 0.775 37 HE3 TRP 6 HE3 TRP 5 27.041 3.834 -0.050 38 HZ2 TRP 6 HZ2 TRP 5 31.525 3.055 1.984 39 HZ3 TRP 6 HZ3 TRP 5 28.173 5.590 1.252 40 HH2 TRP 6 HH2 TRP 5 30.370 5.204 2.247 41 H LEU 7 HN LEU 6 24.586 1.791 0.394 42 HA LEU 7 HA LEU 6 25.668 2.064 2.994 43 HB2 LEU 7 HB2 LEU 6 23.040 2.928 1.800 44 HB3 LEU 7 HB1 LEU 6 23.499 3.305 3.448 45 HG LEU 7 HG LEU 6 25.039 4.168 1.000 46 HD11 LEU 7 HD11 LEU 6 23.219 5.519 0.821 47 HD12 LEU 7 HD12 LEU 6 24.145 6.454 1.994 48 HD13 LEU 7 HD13 LEU 6 22.830 5.413 2.538 49 HD21 LEU 7 HD21 LEU 6 26.455 3.936 2.961 50 HD22 LEU 7 HD22 LEU 6 25.327 4.899 3.913 51 HD23 LEU 7 HD23 LEU 6 26.213 5.640 2.582 52 H ALA 8 HN ALA 7 22.954 0.213 1.697 53 HA ALA 8 HA ALA 7 21.778 -0.597 4.108 54 HB1 ALA 8 HB1 ALA 7 20.519 -2.077 2.857 55 HB2 ALA 8 HB2 ALA 7 21.835 -2.409 1.729 56 HB3 ALA 8 HB3 ALA 7 20.973 -0.872 1.652 57 H ASP 9 HN ASP 8 24.519 -1.920 2.308 58 HA ASP 9 HA ASP 8 24.754 -4.296 3.870 59 HB2 ASP 9 HB2 ASP 8 26.873 -2.947 2.182 60 HB3 ASP 9 HB1 ASP 8 26.893 -4.612 2.751 61 H DAL 10 HN DAL 9 25.553 -1.038 4.509 62 HA DAL 10 HA DAL 9 27.428 -1.844 6.632 63 HB1 DAL 10 HB1 DAL 9 25.110 -1.351 7.449 64 HB2 DAL 10 HB2 DAL 9 25.357 0.316 6.928 65 HB3 DAL 10 HB3 DAL 9 26.387 -0.379 8.180 66 H GLY 11 HN GLY 10 27.576 -0.430 3.829 67 HA2 GLY 11 HA2 GLY 10 28.775 1.277 2.868 68 HA3 GLY 11 HA1 GLY 10 28.499 2.205 4.334 69 HA PRO 12 HA PRO 11 32.998 1.801 4.504 70 HB2 PRO 12 HB2 PRO 11 32.637 3.425 6.950 71 HB3 PRO 12 HB1 PRO 11 33.627 3.743 5.521 72 HG2 PRO 12 HG2 PRO 11 31.378 5.116 5.990 73 HG3 PRO 12 HG1 PRO 11 31.869 4.675 4.343 74 HD2 PRO 12 HD2 PRO 11 29.798 3.420 6.107 75 HD3 PRO 12 HD1 PRO 11 29.746 3.750 4.363 76 H ALA 13 HN ALA 12 30.681 1.121 7.063 77 HA ALA 13 HA ALA 12 32.508 -0.016 8.911 78 HB1 ALA 13 HB1 ALA 12 29.536 -0.064 8.610 79 HB2 ALA 13 HB2 ALA 12 30.526 0.617 9.901 80 HB3 ALA 13 HB3 ALA 12 30.323 -1.130 9.775 81 H SER 14 HN SER 13 30.530 -1.419 6.313 82 HA SER 14 HA SER 13 31.061 -4.122 6.941 83 HB2 SER 14 HB2 SER 13 30.250 -4.621 4.678 84 HB3 SER 14 HB1 SER 13 29.201 -3.457 5.482 85 HG SER 14 HG SER 13 29.805 -1.938 4.113 86 H DAL 15 HN DAL 14 32.923 -1.711 5.251 87 HA DAL 15 HA DAL 14 35.141 -3.583 5.039 88 HB1 DAL 15 HB1 DAL 14 35.530 -1.354 5.990 89 HB2 DAL 15 HB2 DAL 14 35.056 -0.623 4.457 90 HB3 DAL 15 HB3 DAL 14 36.502 -1.629 4.544 91 H NVA 16 HN NVA 15 33.032 -1.678 2.953 92 HA NVA 16 HA NVA 15 34.258 -2.947 0.594 93 HB2 NVA 16 HB1 NVA 15 31.311 -2.517 1.130 94 HB3 NVA 16 HB2 NVA 15 32.148 -4.063 1.136 95 HG2 NVA 16 HG1 NVA 15 32.302 -2.435 -1.340 96 HG3 NVA 16 HG2 NVA 15 30.766 -3.218 -0.956 97 HD1 NVA 16 HD1 NVA 15 32.269 -5.319 -0.579 98 HD2 NVA 16 HD2 NVA 15 33.408 -4.439 -1.597 99 HD3 NVA 16 HD3 NVA 15 31.803 -4.839 -2.211 100 HA PRO 17 HA PRO 16 34.571 1.250 -0.824 101 HB2 PRO 17 HB2 PRO 16 35.121 0.759 -3.438 102 HB3 PRO 17 HB1 PRO 16 36.308 0.544 -2.147 103 HG2 PRO 17 HG2 PRO 16 34.625 -1.502 -3.534 104 HG3 PRO 17 HG1 PRO 16 36.330 -1.591 -3.056 105 HD2 PRO 17 HD2 PRO 16 34.332 -2.758 -1.633 106 HD3 PRO 17 HD1 PRO 16 35.822 -2.146 -0.885 107 HA PRO 18 HA PRO 17 30.343 2.001 -2.144 108 HB2 PRO 18 HB2 PRO 17 30.800 4.666 -2.772 109 HB3 PRO 18 HB1 PRO 17 30.363 4.062 -1.172 110 HG2 PRO 18 HG2 PRO 17 33.052 4.762 -2.268 111 HG3 PRO 18 HG1 PRO 17 32.387 5.051 -0.648 112 HD2 PRO 18 HD2 PRO 17 34.125 3.070 -1.095 113 HD3 PRO 18 HD1 PRO 17 32.768 2.862 0.035 114 HA PRO 19 HA PRO 18 30.911 1.554 -6.548 115 HB2 PRO 19 HB2 PRO 18 28.309 1.613 -7.290 116 HB3 PRO 19 HB1 PRO 18 29.042 0.215 -6.496 117 HG2 PRO 19 HG2 PRO 18 27.348 2.384 -5.326 118 HG3 PRO 19 HG1 PRO 18 27.299 0.638 -5.022 119 HD2 PRO 19 HD2 PRO 18 28.506 2.406 -3.345 120 HD3 PRO 19 HD1 PRO 18 29.038 0.725 -3.524 121 H SER 20 HN SER 19 31.727 3.216 -7.658 122 HA SER 20 HA SER 19 30.013 5.552 -8.155 123 HB2 SER 20 HB2 SER 19 32.965 5.670 -7.492 124 HB3 SER 20 HB1 SER 19 31.956 7.044 -7.939 125 HG SER 20 HG SER 19 32.032 5.581 -5.563 126 HN1 NH2 21 H2 SER 19 29.989 6.251 -10.221 127 HN2 NH2 21 H1 SER 19 30.981 5.626 -11.489 Start of MODEL 19 1 H1 ACE 1 HA2 ALA 1 20.195 1.343 -6.640 2 H2 ACE 1 HA3 ALA 1 19.736 -0.276 -7.160 3 H3 ACE 1 HA1 ALA 1 20.162 0.973 -8.361 4 H ALA 2 HN ALA 1 22.241 1.749 -6.151 5 HA ALA 2 HA ALA 1 24.160 -0.405 -6.339 6 HB1 ALA 2 HB2 ALA 1 24.491 2.127 -7.917 7 HB2 ALA 2 HB3 ALA 1 24.650 0.457 -8.461 8 HB3 ALA 2 HB1 ALA 1 25.876 1.162 -7.408 9 H TYR 3 HN TYR 2 24.290 3.148 -5.905 10 HA TYR 3 HA TYR 2 26.094 3.007 -3.725 11 HB2 TYR 3 HB2 TYR 2 25.734 4.993 -5.252 12 HB3 TYR 3 HB1 TYR 2 24.248 5.313 -4.363 13 HD1 TYR 3 HD1 TYR 2 27.882 5.499 -4.306 14 HD2 TYR 3 HD2 TYR 2 24.341 6.020 -2.003 15 HE1 TYR 3 HE1 TYR 2 29.160 6.782 -2.642 16 HE2 TYR 3 HE2 TYR 2 25.612 7.303 -0.332 17 HH TYR 3 HH TYR 2 28.793 7.256 -0.003 18 H ALA 4 HN ALA 3 22.570 3.384 -3.917 19 HA ALA 4 HA ALA 3 22.078 3.818 -1.187 20 HB1 ALA 4 HB1 ALA 3 19.778 3.021 -1.690 21 HB2 ALA 4 HB2 ALA 3 20.334 2.554 -3.297 22 HB3 ALA 4 HB3 ALA 3 20.364 4.249 -2.811 23 H GLN 5 HN GLN 4 22.346 0.819 -3.067 24 HA GLN 5 HA GLN 4 21.632 -0.953 -0.983 25 HB2 GLN 5 HB2 GLN 4 21.699 -1.559 -3.404 26 HB3 GLN 5 HB1 GLN 4 23.455 -1.500 -3.336 27 HG2 GLN 5 HG2 GLN 4 22.948 -3.760 -3.149 28 HG3 GLN 5 HG1 GLN 4 23.271 -3.255 -1.493 29 HE21 GLN 5 HE21 GLN 4 21.883 -5.560 -2.019 30 HE22 GLN 5 HE22 GLN 4 20.234 -5.368 -1.544 31 H TRP 6 HN TRP 5 24.711 0.433 -2.021 32 HA TRP 6 HA TRP 5 26.480 -1.063 -0.487 33 HB2 TRP 6 HB2 TRP 5 27.340 0.451 -2.134 34 HB3 TRP 6 HB1 TRP 5 26.573 1.829 -1.359 35 HD1 TRP 6 HD1 TRP 5 29.347 -0.759 -0.517 36 HE1 TRP 6 HE1 TRP 5 31.134 0.436 0.893 37 HE3 TRP 6 HE3 TRP 5 27.126 3.828 -0.108 38 HZ2 TRP 6 HZ2 TRP 5 31.554 2.985 2.025 39 HZ3 TRP 6 HZ3 TRP 5 28.291 5.591 1.156 40 HH2 TRP 6 HH2 TRP 5 30.457 5.175 2.200 41 H LEU 7 HN LEU 6 24.626 1.839 0.393 42 HA LEU 7 HA LEU 6 25.692 2.135 2.996 43 HB2 LEU 7 HB2 LEU 6 23.094 3.038 1.766 44 HB3 LEU 7 HB1 LEU 6 23.556 3.442 3.408 45 HG LEU 7 HG LEU 6 25.128 4.207 0.945 46 HD11 LEU 7 HD11 LEU 6 24.287 6.539 1.877 47 HD12 LEU 7 HD12 LEU 6 22.945 5.545 2.444 48 HD13 LEU 7 HD13 LEU 6 23.339 5.597 0.727 49 HD21 LEU 7 HD21 LEU 6 26.549 4.003 2.886 50 HD22 LEU 7 HD22 LEU 6 25.427 4.963 3.851 51 HD23 LEU 7 HD23 LEU 6 26.306 5.711 2.518 52 H ALA 8 HN ALA 7 22.911 0.355 1.725 53 HA ALA 8 HA ALA 7 21.738 -0.388 4.163 54 HB1 ALA 8 HB1 ALA 7 20.380 -0.755 2.331 55 HB2 ALA 8 HB2 ALA 7 20.905 -2.390 2.730 56 HB3 ALA 8 HB3 ALA 7 21.664 -1.521 1.397 57 H ASP 9 HN ASP 8 24.420 -1.794 2.355 58 HA ASP 9 HA ASP 8 24.570 -4.188 3.908 59 HB2 ASP 9 HB2 ASP 8 26.830 -2.992 2.301 60 HB3 ASP 9 HB1 ASP 8 26.574 -4.681 2.718 61 H DAL 10 HN DAL 9 25.513 -0.961 4.524 62 HA DAL 10 HA DAL 9 27.394 -1.833 6.615 63 HB1 DAL 10 HB1 DAL 9 26.351 -0.594 8.254 64 HB2 DAL 10 HB2 DAL 9 24.976 -1.196 7.328 65 HB3 DAL 10 HB3 DAL 9 25.541 0.459 7.094 66 H GLY 11 HN GLY 10 27.536 -0.402 3.831 67 HA2 GLY 11 HA2 GLY 10 28.724 1.315 2.870 68 HA3 GLY 11 HA1 GLY 10 28.508 2.218 4.360 69 HA PRO 12 HA PRO 11 33.004 1.713 4.390 70 HB2 PRO 12 HB2 PRO 11 32.749 3.303 6.871 71 HB3 PRO 12 HB1 PRO 11 33.704 3.623 5.421 72 HG2 PRO 12 HG2 PRO 11 31.502 5.039 5.977 73 HG3 PRO 12 HG1 PRO 11 31.937 4.615 4.311 74 HD2 PRO 12 HD2 PRO 11 29.888 3.377 6.111 75 HD3 PRO 12 HD1 PRO 11 29.794 3.738 4.375 76 H ALA 13 HN ALA 12 30.736 1.036 6.989 77 HA ALA 13 HA ALA 12 32.582 -0.188 8.766 78 HB1 ALA 13 HB1 ALA 12 30.635 0.509 9.805 79 HB2 ALA 13 HB2 ALA 12 30.405 -1.236 9.693 80 HB3 ALA 13 HB3 ALA 12 29.599 -0.165 8.547 81 H SER 14 HN SER 13 30.506 -1.454 6.179 82 HA SER 14 HA SER 13 30.899 -4.191 6.722 83 HB2 SER 14 HB2 SER 13 30.075 -4.595 4.463 84 HB3 SER 14 HB1 SER 13 29.114 -3.337 5.235 85 HG SER 14 HG SER 13 30.898 -3.168 3.103 86 H DAL 15 HN DAL 14 32.893 -1.841 5.078 87 HA DAL 15 HA DAL 14 35.033 -3.806 4.887 88 HB1 DAL 15 HB1 DAL 14 35.070 -0.834 4.365 89 HB2 DAL 15 HB2 DAL 14 36.478 -1.895 4.415 90 HB3 DAL 15 HB3 DAL 14 35.525 -1.626 5.874 91 H NVA 16 HN NVA 15 33.037 -1.792 2.790 92 HA NVA 16 HA NVA 15 34.282 -3.041 0.434 93 HB2 NVA 16 HB1 NVA 15 31.328 -2.649 0.962 94 HB3 NVA 16 HB2 NVA 15 32.179 -4.185 0.889 95 HG2 NVA 16 HG1 NVA 15 32.767 -3.108 -1.551 96 HG3 NVA 16 HG2 NVA 15 31.127 -2.515 -1.266 97 HD1 NVA 16 HD1 NVA 15 32.096 -5.248 -1.759 98 HD2 NVA 16 HD2 NVA 15 30.549 -4.500 -2.157 99 HD3 NVA 16 HD3 NVA 15 30.850 -5.091 -0.521 100 HA PRO 17 HA PRO 16 34.615 1.197 -0.878 101 HB2 PRO 17 HB2 PRO 16 35.194 0.762 -3.500 102 HB3 PRO 17 HB1 PRO 16 36.371 0.543 -2.200 103 HG2 PRO 17 HG2 PRO 16 34.720 -1.505 -3.626 104 HG3 PRO 17 HG1 PRO 16 36.427 -1.575 -3.152 105 HD2 PRO 17 HD2 PRO 16 34.477 -2.805 -1.741 106 HD3 PRO 17 HD1 PRO 16 35.931 -2.138 -0.974 107 HA PRO 18 HA PRO 17 30.378 1.936 -2.175 108 HB2 PRO 18 HB2 PRO 17 30.842 4.615 -2.788 109 HB3 PRO 18 HB1 PRO 17 30.362 3.992 -1.208 110 HG2 PRO 18 HG2 PRO 17 33.074 4.720 -2.217 111 HG3 PRO 18 HG1 PRO 17 32.370 4.959 -0.607 112 HD2 PRO 18 HD2 PRO 17 34.133 3.004 -1.068 113 HD3 PRO 18 HD1 PRO 17 32.753 2.755 0.024 114 HA PRO 19 HA PRO 18 30.933 1.597 -6.590 115 HB2 PRO 19 HB2 PRO 18 28.340 1.448 -7.304 116 HB3 PRO 19 HB1 PRO 18 29.166 0.119 -6.483 117 HG2 PRO 19 HG2 PRO 18 27.315 2.181 -5.363 118 HG3 PRO 19 HG1 PRO 18 27.407 0.447 -5.009 119 HD2 PRO 19 HD2 PRO 18 28.486 2.401 -3.416 120 HD3 PRO 19 HD1 PRO 18 29.078 0.731 -3.474 121 H SER 20 HN SER 19 31.811 3.645 -7.039 122 HA SER 20 HA SER 19 29.926 5.503 -8.257 123 HB2 SER 20 HB2 SER 19 31.884 6.320 -6.097 124 HB3 SER 20 HB1 SER 19 31.036 7.458 -7.144 125 HG SER 20 HG SER 19 29.148 6.951 -6.190 126 HN1 NH2 21 H2 SER 19 30.710 5.257 -10.279 127 HN2 NH2 21 H1 SER 19 32.343 5.564 -10.750 Start of MODEL 20 1 H1 ACE 1 HA2 ALA 1 19.455 1.129 -7.037 2 H2 ACE 1 HA3 ALA 1 20.337 2.651 -7.238 3 H3 ACE 1 HA1 ALA 1 19.582 2.264 -5.685 4 H ALA 2 HN ALA 1 22.378 2.014 -7.609 5 HA ALA 2 HA ALA 1 23.604 -0.232 -6.381 6 HB1 ALA 2 HB2 ALA 1 25.708 1.280 -7.232 7 HB2 ALA 2 HB3 ALA 1 24.400 1.874 -8.255 8 HB3 ALA 2 HB1 ALA 1 24.796 0.156 -8.240 9 H TYR 3 HN TYR 2 24.051 3.276 -5.885 10 HA TYR 3 HA TYR 2 25.845 3.038 -3.725 11 HB2 TYR 3 HB2 TYR 2 25.470 5.104 -5.110 12 HB3 TYR 3 HB1 TYR 2 23.957 5.343 -4.243 13 HD1 TYR 3 HD1 TYR 2 27.603 5.510 -4.039 14 HD2 TYR 3 HD2 TYR 2 23.959 6.014 -1.898 15 HE1 TYR 3 HE1 TYR 2 28.814 6.723 -2.277 16 HE2 TYR 3 HE2 TYR 2 25.164 7.230 -0.130 17 HH TYR 3 HH TYR 2 27.716 8.671 -0.297 18 H ALA 4 HN ALA 3 22.315 3.300 -3.853 19 HA ALA 4 HA ALA 3 21.836 3.611 -1.104 20 HB1 ALA 4 HB1 ALA 3 20.134 3.977 -2.835 21 HB2 ALA 4 HB2 ALA 3 19.570 2.878 -1.577 22 HB3 ALA 4 HB3 ALA 3 20.081 2.241 -3.140 23 H GLN 5 HN GLN 4 22.250 0.708 -3.095 24 HA GLN 5 HA GLN 4 21.633 -1.177 -1.076 25 HB2 GLN 5 HB2 GLN 4 22.457 -1.238 -3.801 26 HB3 GLN 5 HB1 GLN 4 23.561 -2.260 -2.890 27 HG2 GLN 5 HG2 GLN 4 21.985 -3.806 -3.332 28 HG3 GLN 5 HG1 GLN 4 21.267 -3.138 -1.868 29 HE21 GLN 5 HE21 GLN 4 20.576 -4.109 -4.895 30 HE22 GLN 5 HE22 GLN 4 19.178 -3.144 -5.213 31 H TRP 6 HN TRP 5 24.627 0.404 -2.077 32 HA TRP 6 HA TRP 5 26.477 -1.070 -0.608 33 HB2 TRP 6 HB2 TRP 5 27.259 0.520 -2.218 34 HB3 TRP 6 HB1 TRP 5 26.434 1.844 -1.408 35 HD1 TRP 6 HD1 TRP 5 29.348 -0.618 -0.673 36 HE1 TRP 6 HE1 TRP 5 31.083 0.625 0.760 37 HE3 TRP 6 HE3 TRP 5 26.876 3.816 -0.071 38 HZ2 TRP 6 HZ2 TRP 5 31.368 3.150 1.987 39 HZ3 TRP 6 HZ3 TRP 5 27.952 5.595 1.248 40 HH2 TRP 6 HH2 TRP 5 30.151 5.264 2.254 41 H LEU 7 HN LEU 6 24.470 1.688 0.371 42 HA LEU 7 HA LEU 6 25.558 1.985 2.967 43 HB2 LEU 7 HB2 LEU 6 22.911 2.784 1.770 44 HB3 LEU 7 HB1 LEU 6 23.336 3.144 3.431 45 HG LEU 7 HG LEU 6 24.855 4.107 1.007 46 HD11 LEU 7 HD11 LEU 6 22.621 5.240 2.589 47 HD12 LEU 7 HD12 LEU 6 23.018 5.435 0.882 48 HD13 LEU 7 HD13 LEU 6 23.913 6.338 2.104 49 HD21 LEU 7 HD21 LEU 6 26.001 5.566 2.631 50 HD22 LEU 7 HD22 LEU 6 26.304 3.855 2.935 51 HD23 LEU 7 HD23 LEU 6 25.158 4.740 3.943 52 H ALA 8 HN ALA 7 22.899 0.050 1.674 53 HA ALA 8 HA ALA 7 21.753 -0.789 4.086 54 HB1 ALA 8 HB1 ALA 7 20.355 -1.471 2.477 55 HB2 ALA 8 HB2 ALA 7 21.351 -2.926 2.433 56 HB3 ALA 8 HB3 ALA 7 21.646 -1.621 1.285 57 H ASP 9 HN ASP 8 24.534 -2.044 2.297 58 HA ASP 9 HA ASP 8 24.835 -4.399 3.878 59 HB2 ASP 9 HB2 ASP 8 26.870 -2.976 2.142 60 HB3 ASP 9 HB1 ASP 8 27.039 -4.602 2.797 61 H DAL 10 HN DAL 9 25.530 -1.113 4.489 62 HA DAL 10 HA DAL 9 27.417 -1.835 6.631 63 HB1 DAL 10 HB1 DAL 9 24.961 -1.309 7.277 64 HB2 DAL 10 HB2 DAL 9 25.429 0.367 6.991 65 HB3 DAL 10 HB3 DAL 9 26.276 -0.591 8.207 66 H GLY 11 HN GLY 10 27.539 -0.458 3.811 67 HA2 GLY 11 HA2 GLY 10 28.687 1.273 2.832 68 HA3 GLY 11 HA1 GLY 10 28.360 2.216 4.274 69 HA PRO 12 HA PRO 11 32.870 1.991 4.509 70 HB2 PRO 12 HB2 PRO 11 32.413 3.630 6.927 71 HB3 PRO 12 HB1 PRO 11 33.404 3.972 5.506 72 HG2 PRO 12 HG2 PRO 11 31.095 5.257 5.937 73 HG3 PRO 12 HG1 PRO 11 31.624 4.820 4.301 74 HD2 PRO 12 HD2 PRO 11 29.584 3.500 6.050 75 HD3 PRO 12 HD1 PRO 11 29.543 3.807 4.302 76 H ALA 13 HN ALA 12 30.537 1.248 7.027 77 HA ALA 13 HA ALA 12 32.376 0.202 8.920 78 HB1 ALA 13 HB1 ALA 12 29.872 0.954 9.173 79 HB2 ALA 13 HB2 ALA 12 30.560 -0.285 10.222 80 HB3 ALA 13 HB3 ALA 12 29.556 -0.750 8.850 81 H SER 14 HN SER 13 30.529 -1.270 6.276 82 HA SER 14 HA SER 13 31.105 -3.960 6.965 83 HB2 SER 14 HB2 SER 13 30.359 -4.504 4.682 84 HB3 SER 14 HB1 SER 13 29.252 -3.380 5.467 85 HG SER 14 HG SER 13 31.007 -2.963 3.336 86 H DAL 15 HN DAL 14 32.923 -1.510 5.288 87 HA DAL 15 HA DAL 14 35.202 -3.310 5.135 88 HB1 DAL 15 HB1 DAL 14 35.025 -0.357 4.536 89 HB2 DAL 15 HB2 DAL 14 36.504 -1.310 4.648 90 HB3 DAL 15 HB3 DAL 14 35.502 -1.067 6.078 91 H NVA 16 HN NVA 15 33.082 -1.479 2.989 92 HA NVA 16 HA NVA 15 34.418 -2.702 0.668 93 HB2 NVA 16 HB1 NVA 15 31.437 -2.409 1.101 94 HB3 NVA 16 HB2 NVA 15 32.341 -3.914 1.178 95 HG2 NVA 16 HG1 NVA 15 32.881 -3.749 -1.179 96 HG3 NVA 16 HG2 NVA 15 32.059 -2.187 -1.276 97 HD1 NVA 16 HD1 NVA 15 30.744 -4.798 -0.546 98 HD2 NVA 16 HD2 NVA 15 30.681 -4.034 -2.134 99 HD3 NVA 16 HD3 NVA 15 29.944 -3.238 -0.742 100 HA PRO 17 HA PRO 16 34.539 1.493 -0.779 101 HB2 PRO 17 HB2 PRO 16 35.163 1.016 -3.375 102 HB3 PRO 17 HB1 PRO 16 36.333 0.845 -2.063 103 HG2 PRO 17 HG2 PRO 16 34.736 -1.264 -3.464 104 HG3 PRO 17 HG1 PRO 16 36.443 -1.285 -2.987 105 HD2 PRO 17 HD2 PRO 16 34.507 -2.531 -1.556 106 HD3 PRO 17 HD1 PRO 16 35.957 -1.837 -0.805 107 HA PRO 18 HA PRO 17 30.284 2.003 -2.130 108 HB2 PRO 18 HB2 PRO 17 30.618 4.685 -2.791 109 HB3 PRO 18 HB1 PRO 17 30.171 4.072 -1.196 110 HG2 PRO 18 HG2 PRO 17 32.847 4.902 -2.228 111 HG3 PRO 18 HG1 PRO 17 32.129 5.158 -0.626 112 HD2 PRO 18 HD2 PRO 17 33.979 3.272 -1.023 113 HD3 PRO 18 HD1 PRO 17 32.605 2.990 0.069 114 HA PRO 19 HA PRO 18 30.444 1.295 -6.506 115 HB2 PRO 19 HB2 PRO 18 27.984 2.991 -6.511 116 HB3 PRO 19 HB1 PRO 18 28.260 1.407 -7.245 117 HG2 PRO 19 HG2 PRO 18 26.869 1.623 -4.991 118 HG3 PRO 19 HG1 PRO 18 28.003 0.281 -5.232 119 HD2 PRO 19 HD2 PRO 18 28.285 2.722 -3.550 120 HD3 PRO 19 HD1 PRO 18 28.899 1.082 -3.273 121 H SER 20 HN SER 19 31.897 2.348 -7.705 122 HA SER 20 HA SER 19 31.484 5.214 -8.229 123 HB2 SER 20 HB2 SER 19 34.101 3.831 -7.607 124 HB3 SER 20 HB1 SER 19 33.991 5.457 -8.282 125 HG SER 20 HG SER 19 33.983 4.882 -5.782 126 HN1 NH2 21 H2 SER 19 33.457 2.448 -9.324 127 HN2 NH2 21 H1 SER 19 33.218 2.730 -11.011 Start of MODEL 21 1 H1 ACE 1 HA2 ALA 1 20.138 2.163 -6.783 2 H2 ACE 1 HA3 ALA 1 19.623 0.654 -7.531 3 H3 ACE 1 HA1 ALA 1 20.165 2.022 -8.538 4 H ALA 2 HN ALA 1 22.142 2.292 -6.065 5 HA ALA 2 HA ALA 1 23.955 0.107 -6.432 6 HB1 ALA 2 HB2 ALA 1 24.264 2.518 -8.082 7 HB2 ALA 2 HB3 ALA 1 24.888 0.887 -8.322 8 HB3 ALA 2 HB1 ALA 1 25.724 2.000 -7.240 9 H TYR 3 HN TYR 2 24.223 3.607 -5.724 10 HA TYR 3 HA TYR 2 26.010 3.266 -3.566 11 HB2 TYR 3 HB2 TYR 2 25.650 5.384 -4.889 12 HB3 TYR 3 HB1 TYR 2 24.151 5.611 -3.993 13 HD1 TYR 3 HD1 TYR 2 27.806 5.692 -3.818 14 HD2 TYR 3 HD2 TYR 2 24.189 6.219 -1.637 15 HE1 TYR 3 HE1 TYR 2 29.057 6.820 -2.027 16 HE2 TYR 3 HE2 TYR 2 25.433 7.350 0.159 17 HH TYR 3 HH TYR 2 28.736 7.221 0.477 18 H ALA 4 HN ALA 3 22.483 3.596 -3.707 19 HA ALA 4 HA ALA 3 22.002 3.794 -0.946 20 HB1 ALA 4 HB1 ALA 3 20.305 4.329 -2.605 21 HB2 ALA 4 HB2 ALA 3 19.711 3.112 -1.474 22 HB3 ALA 4 HB3 ALA 3 20.227 2.636 -3.092 23 H GLN 5 HN GLN 4 22.284 0.970 -3.080 24 HA GLN 5 HA GLN 4 21.610 -0.982 -1.143 25 HB2 GLN 5 HB2 GLN 4 22.100 -1.023 -3.836 26 HB3 GLN 5 HB1 GLN 4 23.548 -1.795 -3.208 27 HG2 GLN 5 HG2 GLN 4 20.851 -2.691 -2.294 28 HG3 GLN 5 HG1 GLN 4 21.494 -3.230 -3.844 29 HE21 GLN 5 HE21 GLN 4 20.908 -5.037 -1.885 30 HE22 GLN 5 HE22 GLN 4 22.365 -5.721 -1.260 31 H TRP 6 HN TRP 5 24.639 0.550 -2.087 32 HA TRP 6 HA TRP 5 26.461 -1.055 -0.717 33 HB2 TRP 6 HB2 TRP 5 27.281 0.571 -2.263 34 HB3 TRP 6 HB1 TRP 5 26.497 1.887 -1.401 35 HD1 TRP 6 HD1 TRP 5 29.363 -0.665 -0.790 36 HE1 TRP 6 HE1 TRP 5 31.141 0.487 0.666 37 HE3 TRP 6 HE3 TRP 5 26.997 3.797 0.012 38 HZ2 TRP 6 HZ2 TRP 5 31.500 2.954 1.979 39 HZ3 TRP 6 HZ3 TRP 5 28.129 5.501 1.381 40 HH2 TRP 6 HH2 TRP 5 30.335 5.085 2.343 41 H LEU 7 HN LEU 6 24.550 1.716 0.404 42 HA LEU 7 HA LEU 6 25.671 1.877 2.997 43 HB2 LEU 7 HB2 LEU 6 23.017 2.775 1.887 44 HB3 LEU 7 HB1 LEU 6 23.514 3.092 3.537 45 HG LEU 7 HG LEU 6 25.009 4.046 1.095 46 HD11 LEU 7 HD11 LEU 6 24.088 6.288 2.218 47 HD12 LEU 7 HD12 LEU 6 22.770 5.198 2.642 48 HD13 LEU 7 HD13 LEU 6 23.219 5.421 0.952 49 HD21 LEU 7 HD21 LEU 6 26.176 5.489 2.714 50 HD22 LEU 7 HD22 LEU 6 26.445 3.775 3.032 51 HD23 LEU 7 HD23 LEU 6 25.313 4.689 4.028 52 H ALA 8 HN ALA 7 22.991 0.027 1.641 53 HA ALA 8 HA ALA 7 21.811 -0.868 4.018 54 HB1 ALA 8 HB1 ALA 7 20.642 -2.420 2.717 55 HB2 ALA 8 HB2 ALA 7 21.938 -2.536 1.527 56 HB3 ALA 8 HB3 ALA 7 20.953 -1.077 1.619 57 H ASP 9 HN ASP 8 24.595 -2.091 2.219 58 HA ASP 9 HA ASP 8 24.841 -4.506 3.726 59 HB2 ASP 9 HB2 ASP 8 27.106 -3.200 2.227 60 HB3 ASP 9 HB1 ASP 8 26.832 -4.911 2.523 61 H DAL 10 HN DAL 9 25.602 -1.257 4.435 62 HA DAL 10 HA DAL 9 27.471 -2.085 6.555 63 HB1 DAL 10 HB1 DAL 9 26.388 -0.737 8.143 64 HB2 DAL 10 HB2 DAL 9 25.093 -1.589 7.302 65 HB3 DAL 10 HB3 DAL 9 25.439 0.096 6.912 66 H GLY 11 HN GLY 10 27.591 -0.591 3.775 67 HA2 GLY 11 HA2 GLY 10 28.780 1.137 2.853 68 HA3 GLY 11 HA1 GLY 10 28.503 2.031 4.340 69 HA PRO 12 HA PRO 11 33.011 1.637 4.456 70 HB2 PRO 12 HB2 PRO 11 32.686 3.281 6.889 71 HB3 PRO 12 HB1 PRO 11 33.644 3.592 5.438 72 HG2 PRO 12 HG2 PRO 11 31.398 4.958 5.953 73 HG3 PRO 12 HG1 PRO 11 31.862 4.521 4.299 74 HD2 PRO 12 HD2 PRO 11 29.829 3.256 6.096 75 HD3 PRO 12 HD1 PRO 11 29.745 3.584 4.353 76 H ALA 13 HN ALA 12 30.715 0.961 7.030 77 HA ALA 13 HA ALA 12 32.557 -0.144 8.880 78 HB1 ALA 13 HB1 ALA 12 30.462 0.604 9.706 79 HB2 ALA 13 HB2 ALA 12 30.510 -1.145 9.924 80 HB3 ALA 13 HB3 ALA 12 29.576 -0.446 8.601 81 H SER 14 HN SER 13 30.642 -1.567 6.257 82 HA SER 14 HA SER 13 31.223 -4.270 6.939 83 HB2 SER 14 HB2 SER 13 30.385 -4.790 4.658 84 HB3 SER 14 HB1 SER 13 29.289 -3.753 5.567 85 HG SER 14 HG SER 13 30.893 -3.152 3.356 86 H DAL 15 HN DAL 14 32.969 -1.822 5.199 87 HA DAL 15 HA DAL 14 35.214 -3.644 4.888 88 HB1 DAL 15 HB1 DAL 14 36.494 -1.631 4.320 89 HB2 DAL 15 HB2 DAL 14 35.632 -1.450 5.848 90 HB3 DAL 15 HB3 DAL 14 35.013 -0.676 4.389 91 H NVA 16 HN NVA 15 33.009 -1.752 2.883 92 HA NVA 16 HA NVA 15 34.168 -3.012 0.486 93 HB2 NVA 16 HB1 NVA 15 31.249 -2.535 1.122 94 HB3 NVA 16 HB2 NVA 15 32.057 -4.092 1.036 95 HG2 NVA 16 HG1 NVA 15 32.405 -3.829 -1.341 96 HG3 NVA 16 HG2 NVA 15 31.707 -2.207 -1.288 97 HD1 NVA 16 HD1 NVA 15 30.072 -3.778 -2.117 98 HD2 NVA 16 HD2 NVA 15 29.576 -3.190 -0.530 99 HD3 NVA 16 HD3 NVA 15 30.286 -4.796 -0.693 100 HA PRO 17 HA PRO 16 34.541 1.176 -0.935 101 HB2 PRO 17 HB2 PRO 16 35.028 0.696 -3.554 102 HB3 PRO 17 HB1 PRO 16 36.226 0.391 -2.290 103 HG2 PRO 17 HG2 PRO 16 34.388 -1.534 -3.663 104 HG3 PRO 17 HG1 PRO 16 36.106 -1.719 -3.263 105 HD2 PRO 17 HD2 PRO 16 34.125 -2.814 -1.770 106 HD3 PRO 17 HD1 PRO 16 35.666 -2.277 -1.074 107 HA PRO 18 HA PRO 17 30.295 2.013 -2.161 108 HB2 PRO 18 HB2 PRO 17 30.728 4.705 -2.622 109 HB3 PRO 18 HB1 PRO 17 30.358 4.001 -1.045 110 HG2 PRO 18 HG2 PRO 17 33.006 4.761 -2.207 111 HG3 PRO 18 HG1 PRO 17 32.399 4.988 -0.555 112 HD2 PRO 18 HD2 PRO 17 34.112 3.020 -1.141 113 HD3 PRO 18 HD1 PRO 17 32.794 2.772 0.026 114 HA PRO 19 HA PRO 18 30.810 1.846 -6.589 115 HB2 PRO 19 HB2 PRO 18 28.200 1.905 -7.286 116 HB3 PRO 19 HB1 PRO 18 28.959 0.479 -6.570 117 HG2 PRO 19 HG2 PRO 18 27.254 2.569 -5.277 118 HG3 PRO 19 HG1 PRO 18 27.232 0.811 -5.053 119 HD2 PRO 19 HD2 PRO 18 28.445 2.533 -3.320 120 HD3 PRO 19 HD1 PRO 18 28.974 0.857 -3.562 121 H SER 20 HN SER 19 31.720 3.700 -7.330 122 HA SER 20 HA SER 19 29.917 5.838 -8.146 123 HB2 SER 20 HB2 SER 19 32.254 6.228 -6.279 124 HB3 SER 20 HB1 SER 19 31.634 7.542 -7.281 125 HG SER 20 HG SER 19 30.596 7.624 -5.311 126 HN1 NH2 21 H2 SER 19 30.360 6.416 -10.167 127 HN2 NH2 21 H1 SER 19 31.866 6.190 -10.983 Start of MODEL 22 1 H1 ACE 1 HA2 ALA 1 20.172 3.699 -7.540 2 H2 ACE 1 HA3 ALA 1 20.014 3.109 -5.879 3 H3 ACE 1 HA1 ALA 1 19.960 1.970 -7.232 4 H ALA 2 HN ALA 1 21.683 0.761 -6.417 5 HA ALA 2 HA ALA 1 23.852 0.080 -6.417 6 HB1 ALA 2 HB2 ALA 1 23.851 2.120 -8.333 7 HB2 ALA 2 HB3 ALA 1 25.071 0.871 -8.093 8 HB3 ALA 2 HB1 ALA 1 25.244 2.436 -7.300 9 H TYR 3 HN TYR 2 24.129 3.587 -5.726 10 HA TYR 3 HA TYR 2 25.971 3.231 -3.616 11 HB2 TYR 3 HB2 TYR 2 25.619 5.346 -4.940 12 HB3 TYR 3 HB1 TYR 2 24.141 5.605 -4.019 13 HD1 TYR 3 HD1 TYR 2 27.799 5.629 -3.910 14 HD2 TYR 3 HD2 TYR 2 24.231 6.231 -1.668 15 HE1 TYR 3 HE1 TYR 2 29.101 6.748 -2.151 16 HE2 TYR 3 HE2 TYR 2 25.528 7.354 0.097 17 HH TYR 3 HH TYR 2 28.267 8.660 -0.177 18 H ALA 4 HN ALA 3 22.447 3.611 -3.666 19 HA ALA 4 HA ALA 3 22.043 3.848 -0.896 20 HB1 ALA 4 HB1 ALA 3 20.283 4.391 -2.447 21 HB2 ALA 4 HB2 ALA 3 19.728 3.106 -1.374 22 HB3 ALA 4 HB3 ALA 3 20.225 2.726 -3.024 23 H GLN 5 HN GLN 4 22.249 1.000 -3.001 24 HA GLN 5 HA GLN 4 21.601 -0.928 -1.036 25 HB2 GLN 5 HB2 GLN 4 21.617 -1.328 -3.509 26 HB3 GLN 5 HB1 GLN 4 23.373 -1.304 -3.458 27 HG2 GLN 5 HG2 GLN 4 23.440 -3.435 -2.876 28 HG3 GLN 5 HG1 GLN 4 22.378 -3.142 -1.501 29 HE21 GLN 5 HE21 GLN 4 20.558 -4.249 -1.514 30 HE22 GLN 5 HE22 GLN 4 19.739 -4.848 -2.913 31 H TRP 6 HN TRP 5 24.637 0.563 -2.043 32 HA TRP 6 HA TRP 5 26.458 -1.035 -0.672 33 HB2 TRP 6 HB2 TRP 5 27.270 0.580 -2.240 34 HB3 TRP 6 HB1 TRP 5 26.510 1.904 -1.369 35 HD1 TRP 6 HD1 TRP 5 29.345 -0.687 -0.774 36 HE1 TRP 6 HE1 TRP 5 31.155 0.449 0.658 37 HE3 TRP 6 HE3 TRP 5 27.060 3.819 0.015 38 HZ2 TRP 6 HZ2 TRP 5 31.565 2.917 1.950 39 HZ3 TRP 6 HZ3 TRP 5 28.232 5.514 1.362 40 HH2 TRP 6 HH2 TRP 5 30.438 5.068 2.308 41 H LEU 7 HN LEU 6 24.601 1.775 0.450 42 HA LEU 7 HA LEU 6 25.747 1.926 3.032 43 HB2 LEU 7 HB2 LEU 6 23.087 2.860 1.961 44 HB3 LEU 7 HB1 LEU 6 23.634 3.192 3.592 45 HG LEU 7 HG LEU 6 25.101 4.077 1.108 46 HD11 LEU 7 HD11 LEU 6 23.356 5.490 0.926 47 HD12 LEU 7 HD12 LEU 6 24.195 6.353 2.216 48 HD13 LEU 7 HD13 LEU 6 22.858 5.269 2.603 49 HD21 LEU 7 HD21 LEU 6 25.418 4.858 4.005 50 HD22 LEU 7 HD22 LEU 6 26.329 5.517 2.647 51 HD23 LEU 7 HD23 LEU 6 26.513 3.820 3.092 52 H ALA 8 HN ALA 7 22.983 0.160 1.722 53 HA ALA 8 HA ALA 7 21.847 -0.725 4.124 54 HB1 ALA 8 HB1 ALA 7 20.645 -0.921 2.052 55 HB2 ALA 8 HB2 ALA 7 20.843 -2.529 2.749 56 HB3 ALA 8 HB3 ALA 7 21.861 -2.020 1.402 57 H ASP 9 HN ASP 8 24.548 -1.997 2.240 58 HA ASP 9 HA ASP 8 24.763 -4.444 3.703 59 HB2 ASP 9 HB2 ASP 8 27.004 -3.162 2.141 60 HB3 ASP 9 HB1 ASP 8 26.733 -4.871 2.456 61 H DAL 10 HN DAL 9 25.642 -1.225 4.432 62 HA DAL 10 HA DAL 9 27.552 -2.136 6.480 63 HB1 DAL 10 HB1 DAL 9 25.521 -1.762 7.638 64 HB2 DAL 10 HB2 DAL 9 25.246 -0.234 6.801 65 HB3 DAL 10 HB3 DAL 9 26.557 -0.375 7.972 66 H GLY 11 HN GLY 10 27.654 -0.612 3.735 67 HA2 GLY 11 HA2 GLY 10 28.853 1.114 2.816 68 HA3 GLY 11 HA1 GLY 10 28.582 2.001 4.306 69 HA PRO 12 HA PRO 11 33.085 1.610 4.440 70 HB2 PRO 12 HB2 PRO 11 32.740 3.172 6.925 71 HB3 PRO 12 HB1 PRO 11 33.710 3.532 5.494 72 HG2 PRO 12 HG2 PRO 11 31.458 4.878 6.031 73 HG3 PRO 12 HG1 PRO 11 31.934 4.488 4.367 74 HD2 PRO 12 HD2 PRO 11 29.890 3.170 6.113 75 HD3 PRO 12 HD1 PRO 11 29.818 3.549 4.379 76 H ALA 13 HN ALA 12 30.779 0.844 6.977 77 HA ALA 13 HA ALA 12 32.615 -0.329 8.795 78 HB1 ALA 13 HB1 ALA 12 30.447 -1.468 9.645 79 HB2 ALA 13 HB2 ALA 12 29.642 -0.403 8.493 80 HB3 ALA 13 HB3 ALA 12 30.622 0.281 9.789 81 H SER 14 HN SER 13 30.654 -1.668 6.153 82 HA SER 14 HA SER 13 31.252 -4.388 6.718 83 HB2 SER 14 HB2 SER 13 30.377 -4.836 4.448 84 HB3 SER 14 HB1 SER 13 29.307 -3.791 5.378 85 HG SER 14 HG SER 13 29.643 -3.043 3.226 86 H DAL 15 HN DAL 14 32.998 -1.878 5.074 87 HA DAL 15 HA DAL 14 35.250 -3.665 4.703 88 HB1 DAL 15 HB1 DAL 14 34.985 -0.699 4.212 89 HB2 DAL 15 HB2 DAL 14 36.482 -1.623 4.101 90 HB3 DAL 15 HB3 DAL 14 35.655 -1.468 5.651 91 H NVA 16 HN NVA 15 32.963 -1.854 2.728 92 HA NVA 16 HA NVA 15 34.101 -3.122 0.325 93 HB2 NVA 16 HB1 NVA 15 31.203 -2.591 1.012 94 HB3 NVA 16 HB2 NVA 15 31.981 -4.159 0.885 95 HG2 NVA 16 HG1 NVA 15 32.149 -2.501 -1.535 96 HG3 NVA 16 HG2 NVA 15 30.522 -3.018 -1.080 97 HD1 NVA 16 HD1 NVA 15 32.857 -4.631 -1.950 98 HD2 NVA 16 HD2 NVA 15 31.151 -4.791 -2.368 99 HD3 NVA 16 HD3 NVA 15 31.731 -5.348 -0.798 100 HA PRO 17 HA PRO 16 34.593 1.038 -1.138 101 HB2 PRO 17 HB2 PRO 16 34.943 0.506 -3.781 102 HB3 PRO 17 HB1 PRO 16 36.194 0.228 -2.565 103 HG2 PRO 17 HG2 PRO 16 34.301 -1.722 -3.819 104 HG3 PRO 17 HG1 PRO 16 36.028 -1.908 -3.459 105 HD2 PRO 17 HD2 PRO 16 34.085 -2.956 -1.888 106 HD3 PRO 17 HD1 PRO 16 35.642 -2.400 -1.242 107 HA PRO 18 HA PRO 17 30.318 1.985 -2.184 108 HB2 PRO 18 HB2 PRO 17 30.824 4.668 -2.654 109 HB3 PRO 18 HB1 PRO 17 30.453 3.970 -1.075 110 HG2 PRO 18 HG2 PRO 17 33.102 4.670 -2.266 111 HG3 PRO 18 HG1 PRO 17 32.529 4.874 -0.599 112 HD2 PRO 18 HD2 PRO 17 34.182 2.879 -1.264 113 HD3 PRO 18 HD1 PRO 17 32.888 2.642 -0.070 114 HA PRO 19 HA PRO 18 30.694 1.894 -6.631 115 HB2 PRO 19 HB2 PRO 18 28.075 1.904 -7.251 116 HB3 PRO 19 HB1 PRO 18 28.860 0.495 -6.530 117 HG2 PRO 19 HG2 PRO 18 27.163 2.588 -5.233 118 HG3 PRO 19 HG1 PRO 18 27.164 0.834 -4.981 119 HD2 PRO 19 HD2 PRO 18 28.410 2.619 -3.317 120 HD3 PRO 19 HD1 PRO 18 28.910 0.927 -3.504 121 H SER 20 HN SER 19 31.667 4.063 -6.609 122 HA SER 20 HA SER 19 29.931 5.982 -7.945 123 HB2 SER 20 HB2 SER 19 31.442 6.597 -5.399 124 HB3 SER 20 HB1 SER 19 30.859 7.848 -6.497 125 HG SER 20 HG SER 19 29.449 7.200 -4.668 126 HN1 NH2 21 H2 SER 19 30.948 6.904 -9.611 127 HN2 NH2 21 H1 SER 19 32.656 6.919 -9.866 Start of MODEL 23 1 H1 ACE 1 HA2 ALA 1 19.517 1.227 -6.994 2 H2 ACE 1 HA3 ALA 1 20.410 2.729 -7.269 3 H3 ACE 1 HA1 ALA 1 19.691 2.405 -5.686 4 H ALA 2 HN ALA 1 22.454 2.135 -7.614 5 HA ALA 2 HA ALA 1 23.697 -0.120 -6.426 6 HB1 ALA 2 HB2 ALA 1 25.258 2.182 -7.535 7 HB2 ALA 2 HB3 ALA 1 24.306 1.148 -8.602 8 HB3 ALA 2 HB1 ALA 1 25.600 0.454 -7.622 9 H TYR 3 HN TYR 2 24.122 3.379 -5.850 10 HA TYR 3 HA TYR 2 25.905 3.097 -3.685 11 HB2 TYR 3 HB2 TYR 2 25.534 5.187 -5.035 12 HB3 TYR 3 HB1 TYR 2 24.022 5.411 -4.162 13 HD1 TYR 3 HD1 TYR 2 27.673 5.531 -3.938 14 HD2 TYR 3 HD2 TYR 2 24.021 6.075 -1.820 15 HE1 TYR 3 HE1 TYR 2 28.890 6.708 -2.156 16 HE2 TYR 3 HE2 TYR 2 25.232 7.256 -0.031 17 HH TYR 3 HH TYR 2 27.804 8.658 -0.163 18 H ALA 4 HN ALA 3 22.379 3.365 -3.827 19 HA ALA 4 HA ALA 3 21.892 3.623 -1.074 20 HB1 ALA 4 HB1 ALA 3 20.165 4.071 -2.696 21 HB2 ALA 4 HB2 ALA 3 19.623 2.802 -1.599 22 HB3 ALA 4 HB3 ALA 3 20.174 2.388 -3.223 23 H GLN 5 HN GLN 4 22.301 0.756 -3.122 24 HA GLN 5 HA GLN 4 21.657 -1.170 -1.152 25 HB2 GLN 5 HB2 GLN 4 22.679 -1.161 -3.857 26 HB3 GLN 5 HB1 GLN 4 23.560 -2.322 -2.875 27 HG2 GLN 5 HG2 GLN 4 21.842 -3.604 -3.689 28 HG3 GLN 5 HG1 GLN 4 21.196 -3.093 -2.130 29 HE21 GLN 5 HE21 GLN 4 19.608 -1.453 -2.078 30 HE22 GLN 5 HE22 GLN 4 18.633 -1.113 -3.463 31 H TRP 6 HN TRP 5 24.665 0.426 -2.085 32 HA TRP 6 HA TRP 5 26.498 -1.065 -0.611 33 HB2 TRP 6 HB2 TRP 5 27.285 0.544 -2.206 34 HB3 TRP 6 HB1 TRP 5 26.464 1.859 -1.376 35 HD1 TRP 6 HD1 TRP 5 29.366 -0.626 -0.675 36 HE1 TRP 6 HE1 TRP 5 31.104 0.590 0.779 37 HE3 TRP 6 HE3 TRP 5 26.920 3.818 -0.024 38 HZ2 TRP 6 HZ2 TRP 5 31.403 3.097 2.036 39 HZ3 TRP 6 HZ3 TRP 5 28.005 5.574 1.320 40 HH2 TRP 6 HH2 TRP 5 30.201 5.216 2.326 41 H LEU 7 HN LEU 6 24.505 1.708 0.372 42 HA LEU 7 HA LEU 6 25.562 1.967 2.983 43 HB2 LEU 7 HB2 LEU 6 22.942 2.804 1.755 44 HB3 LEU 7 HB1 LEU 6 23.330 3.129 3.433 45 HG LEU 7 HG LEU 6 24.887 4.140 1.052 46 HD11 LEU 7 HD11 LEU 6 23.988 6.348 2.226 47 HD12 LEU 7 HD12 LEU 6 22.677 5.259 2.677 48 HD13 LEU 7 HD13 LEU 6 23.074 5.504 0.976 49 HD21 LEU 7 HD21 LEU 6 26.339 3.802 2.959 50 HD22 LEU 7 HD22 LEU 6 25.207 4.657 4.007 51 HD23 LEU 7 HD23 LEU 6 26.054 5.527 2.727 52 H ALA 8 HN ALA 7 22.961 0.014 1.629 53 HA ALA 8 HA ALA 7 21.718 -0.811 3.994 54 HB1 ALA 8 HB1 ALA 7 20.593 -2.381 2.717 55 HB2 ALA 8 HB2 ALA 7 21.967 -2.642 1.642 56 HB3 ALA 8 HB3 ALA 7 21.026 -1.156 1.525 57 H ASP 9 HN ASP 8 24.600 -2.062 2.367 58 HA ASP 9 HA ASP 8 24.824 -4.386 4.025 59 HB2 ASP 9 HB2 ASP 8 27.128 -3.164 2.519 60 HB3 ASP 9 HB1 ASP 8 26.835 -4.856 2.893 61 H DAL 10 HN DAL 9 25.529 -1.092 4.536 62 HA DAL 10 HA DAL 9 27.348 -1.756 6.754 63 HB1 DAL 10 HB1 DAL 9 25.700 -1.138 8.119 64 HB2 DAL 10 HB2 DAL 9 24.754 -0.445 6.801 65 HB3 DAL 10 HB3 DAL 9 26.015 0.511 7.581 66 H GLY 11 HN GLY 10 27.470 -0.409 3.862 67 HA2 GLY 11 HA2 GLY 10 28.682 1.257 2.858 68 HA3 GLY 11 HA1 GLY 10 28.409 2.225 4.298 69 HA PRO 12 HA PRO 11 32.903 1.822 4.506 70 HB2 PRO 12 HB2 PRO 11 32.538 3.445 6.949 71 HB3 PRO 12 HB1 PRO 11 33.525 3.768 5.520 72 HG2 PRO 12 HG2 PRO 11 31.271 5.132 6.000 73 HG3 PRO 12 HG1 PRO 11 31.767 4.702 4.352 74 HD2 PRO 12 HD2 PRO 11 29.697 3.434 6.104 75 HD3 PRO 12 HD1 PRO 11 29.648 3.769 4.360 76 H ALA 13 HN ALA 12 30.573 1.141 7.048 77 HA ALA 13 HA ALA 12 32.370 0.002 8.920 78 HB1 ALA 13 HB1 ALA 12 30.333 0.640 9.834 79 HB2 ALA 13 HB2 ALA 12 30.196 -1.117 9.760 80 HB3 ALA 13 HB3 ALA 12 29.401 -0.118 8.543 81 H SER 14 HN SER 13 30.505 -1.375 6.240 82 HA SER 14 HA SER 13 31.031 -4.092 6.852 83 HB2 SER 14 HB2 SER 13 30.220 -4.578 4.610 84 HB3 SER 14 HB1 SER 13 29.198 -3.347 5.350 85 HG SER 14 HG SER 13 29.893 -1.905 3.950 86 H DAL 15 HN DAL 14 32.880 -1.630 5.221 87 HA DAL 15 HA DAL 14 35.142 -3.448 5.032 88 HB1 DAL 15 HB1 DAL 14 34.952 -0.484 4.500 89 HB2 DAL 15 HB2 DAL 14 36.439 -1.432 4.504 90 HB3 DAL 15 HB3 DAL 14 35.509 -1.244 5.991 91 H NVA 16 HN NVA 15 33.012 -1.600 2.912 92 HA NVA 16 HA NVA 15 34.303 -2.842 0.572 93 HB2 NVA 16 HB1 NVA 15 31.342 -2.457 1.069 94 HB3 NVA 16 HB2 NVA 15 32.199 -3.990 1.059 95 HG2 NVA 16 HG1 NVA 15 32.331 -2.307 -1.389 96 HG3 NVA 16 HG2 NVA 15 30.824 -3.156 -1.030 97 HD1 NVA 16 HD1 NVA 15 33.549 -4.417 -1.293 98 HD2 NVA 16 HD2 NVA 15 32.246 -4.492 -2.479 99 HD3 NVA 16 HD3 NVA 15 32.054 -5.269 -0.908 100 HA PRO 17 HA PRO 16 34.601 1.364 -0.826 101 HB2 PRO 17 HB2 PRO 16 35.171 0.896 -3.439 102 HB3 PRO 17 HB1 PRO 16 36.350 0.667 -2.143 103 HG2 PRO 17 HG2 PRO 16 34.654 -1.367 -3.540 104 HG3 PRO 17 HG1 PRO 16 36.367 -1.458 -3.091 105 HD2 PRO 17 HD2 PRO 16 34.417 -2.648 -1.640 106 HD3 PRO 17 HD1 PRO 16 35.894 -2.000 -0.901 107 HA PRO 18 HA PRO 17 30.343 2.030 -2.101 108 HB2 PRO 18 HB2 PRO 17 30.731 4.725 -2.662 109 HB3 PRO 18 HB1 PRO 17 30.292 4.061 -1.086 110 HG2 PRO 18 HG2 PRO 17 32.972 4.868 -2.126 111 HG3 PRO 18 HG1 PRO 17 32.285 5.084 -0.506 112 HD2 PRO 18 HD2 PRO 17 34.082 3.170 -0.998 113 HD3 PRO 18 HD1 PRO 17 32.720 2.883 0.106 114 HA PRO 19 HA PRO 18 30.579 1.469 -6.502 115 HB2 PRO 19 HB2 PRO 18 27.947 2.868 -6.459 116 HB3 PRO 19 HB1 PRO 18 28.390 1.321 -7.189 117 HG2 PRO 19 HG2 PRO 18 26.988 1.406 -4.927 118 HG3 PRO 19 HG1 PRO 18 28.244 0.179 -5.178 119 HD2 PRO 19 HD2 PRO 18 28.315 2.652 -3.511 120 HD3 PRO 19 HD1 PRO 18 29.049 1.066 -3.212 121 H SER 20 HN SER 19 31.837 2.719 -7.729 122 HA SER 20 HA SER 19 31.012 5.464 -8.287 123 HB2 SER 20 HB2 SER 19 33.624 4.662 -7.043 124 HB3 SER 20 HB1 SER 19 33.552 6.070 -8.102 125 HG SER 20 HG SER 19 32.550 7.142 -6.591 126 HN1 NH2 21 H2 SER 19 30.455 3.882 -10.153 127 HN2 NH2 21 H1 SER 19 31.635 3.774 -11.410 Start of MODEL 24 1 H1 ACE 1 HA2 ALA 1 19.790 1.045 -7.254 2 H2 ACE 1 HA3 ALA 1 20.529 2.645 -7.097 3 H3 ACE 1 HA1 ALA 1 19.718 1.904 -5.709 4 H ALA 2 HN ALA 1 22.629 2.179 -7.498 5 HA ALA 2 HA ALA 1 23.945 -0.118 -6.399 6 HB1 ALA 2 HB2 ALA 1 24.878 0.506 -8.412 7 HB2 ALA 2 HB3 ALA 1 26.019 1.206 -7.263 8 HB3 ALA 2 HB1 ALA 1 24.806 2.227 -8.035 9 H TYR 3 HN TYR 2 24.306 3.397 -5.848 10 HA TYR 3 HA TYR 2 26.070 3.134 -3.654 11 HB2 TYR 3 HB2 TYR 2 25.743 5.206 -5.052 12 HB3 TYR 3 HB1 TYR 2 24.221 5.463 -4.206 13 HD1 TYR 3 HD1 TYR 2 27.862 5.602 -3.958 14 HD2 TYR 3 HD2 TYR 2 24.201 6.109 -1.846 15 HE1 TYR 3 HE1 TYR 2 29.063 6.795 -2.174 16 HE2 TYR 3 HE2 TYR 2 25.396 7.304 -0.058 17 HH TYR 3 HH TYR 2 27.976 8.728 -0.196 18 H ALA 4 HN ALA 3 22.548 3.431 -3.872 19 HA ALA 4 HA ALA 3 22.011 3.749 -1.132 20 HB1 ALA 4 HB1 ALA 3 20.332 4.195 -2.820 21 HB2 ALA 4 HB2 ALA 3 19.737 2.987 -1.681 22 HB3 ALA 4 HB3 ALA 3 20.302 2.492 -3.277 23 H GLN 5 HN GLN 4 22.382 0.842 -3.129 24 HA GLN 5 HA GLN 4 21.682 -1.030 -1.116 25 HB2 GLN 5 HB2 GLN 4 22.854 -1.114 -3.810 26 HB3 GLN 5 HB1 GLN 4 23.413 -2.400 -2.752 27 HG2 GLN 5 HG2 GLN 4 21.105 -3.061 -2.324 28 HG3 GLN 5 HG1 GLN 4 20.537 -1.764 -3.374 29 HE21 GLN 5 HE21 GLN 4 21.355 -4.989 -3.212 30 HE22 GLN 5 HE22 GLN 4 21.513 -5.312 -4.901 31 H TRP 6 HN TRP 5 24.723 0.472 -2.086 32 HA TRP 6 HA TRP 5 26.532 -1.061 -0.632 33 HB2 TRP 6 HB2 TRP 5 27.363 0.529 -2.209 34 HB3 TRP 6 HB1 TRP 5 26.552 1.861 -1.399 35 HD1 TRP 6 HD1 TRP 5 29.432 -0.641 -0.677 36 HE1 TRP 6 HE1 TRP 5 31.173 0.564 0.782 37 HE3 TRP 6 HE3 TRP 5 27.007 3.812 -0.019 38 HZ2 TRP 6 HZ2 TRP 5 31.484 3.062 2.042 39 HZ3 TRP 6 HZ3 TRP 5 28.100 5.559 1.329 40 HH2 TRP 6 HH2 TRP 5 30.292 5.187 2.337 41 H LEU 7 HN LEU 6 24.573 1.715 0.384 42 HA LEU 7 HA LEU 6 25.651 1.951 2.991 43 HB2 LEU 7 HB2 LEU 6 23.004 2.801 1.824 44 HB3 LEU 7 HB1 LEU 6 23.487 3.172 3.467 45 HG LEU 7 HG LEU 6 25.009 4.053 1.016 46 HD11 LEU 7 HD11 LEU 6 24.031 6.326 2.043 47 HD12 LEU 7 HD12 LEU 6 22.714 5.227 2.457 48 HD13 LEU 7 HD13 LEU 6 23.216 5.407 0.776 49 HD21 LEU 7 HD21 LEU 6 25.224 4.943 3.890 50 HD22 LEU 7 HD22 LEU 6 26.210 5.494 2.535 51 HD23 LEU 7 HD23 LEU 6 26.333 3.826 3.096 52 H ALA 8 HN ALA 7 22.997 0.062 1.639 53 HA ALA 8 HA ALA 7 21.779 -0.780 4.012 54 HB1 ALA 8 HB1 ALA 7 20.544 -2.200 2.717 55 HB2 ALA 8 HB2 ALA 7 21.915 -2.651 1.703 56 HB3 ALA 8 HB3 ALA 7 21.127 -1.089 1.478 57 H ASP 9 HN ASP 8 24.603 -2.050 2.304 58 HA ASP 9 HA ASP 8 24.825 -4.418 3.890 59 HB2 ASP 9 HB2 ASP 8 27.107 -3.135 2.391 60 HB3 ASP 9 HB1 ASP 8 26.861 -4.837 2.758 61 H DAL 10 HN DAL 9 25.559 -1.144 4.509 62 HA DAL 10 HA DAL 9 27.375 -1.894 6.703 63 HB1 DAL 10 HB1 DAL 9 25.054 -1.413 7.463 64 HB2 DAL 10 HB2 DAL 9 25.248 0.232 6.858 65 HB3 DAL 10 HB3 DAL 9 26.277 -0.354 8.164 66 H GLY 11 HN GLY 10 27.500 -0.444 3.858 67 HA2 GLY 11 HA2 GLY 10 28.717 1.250 2.911 68 HA3 GLY 11 HA1 GLY 10 28.449 2.168 4.383 69 HA PRO 12 HA PRO 11 32.950 1.749 4.516 70 HB2 PRO 12 HB2 PRO 11 32.617 3.383 6.957 71 HB3 PRO 12 HB1 PRO 11 33.593 3.694 5.517 72 HG2 PRO 12 HG2 PRO 11 31.353 5.075 6.008 73 HG3 PRO 12 HG1 PRO 11 31.827 4.630 4.359 74 HD2 PRO 12 HD2 PRO 11 29.771 3.383 6.145 75 HD3 PRO 12 HD1 PRO 11 29.701 3.711 4.401 76 H ALA 13 HN ALA 12 30.643 1.072 7.075 77 HA ALA 13 HA ALA 12 32.479 -0.063 8.919 78 HB1 ALA 13 HB1 ALA 12 30.124 0.808 9.379 79 HB2 ALA 13 HB2 ALA 12 30.625 -0.666 10.207 80 HB3 ALA 13 HB3 ALA 12 29.564 -0.761 8.803 81 H SER 14 HN SER 13 30.552 -1.427 6.280 82 HA SER 14 HA SER 13 31.024 -4.148 6.943 83 HB2 SER 14 HB2 SER 13 30.177 -4.654 4.708 84 HB3 SER 14 HB1 SER 13 29.168 -3.433 5.478 85 HG SER 14 HG SER 13 29.832 -1.971 4.074 86 H DAL 15 HN DAL 14 32.901 -1.753 5.252 87 HA DAL 15 HA DAL 14 35.101 -3.646 5.020 88 HB1 DAL 15 HB1 DAL 14 35.507 -1.430 6.001 89 HB2 DAL 15 HB2 DAL 14 35.048 -0.679 4.474 90 HB3 DAL 15 HB3 DAL 14 36.482 -1.701 4.557 91 H NVA 16 HN NVA 15 32.975 -1.729 2.972 92 HA NVA 16 HA NVA 15 34.195 -2.965 0.593 93 HB2 NVA 16 HB1 NVA 15 31.254 -2.483 1.121 94 HB3 NVA 16 HB2 NVA 15 32.057 -4.045 1.145 95 HG2 NVA 16 HG1 NVA 15 32.205 -2.399 -1.333 96 HG3 NVA 16 HG2 NVA 15 30.708 -3.259 -0.955 97 HD1 NVA 16 HD1 NVA 15 31.616 -5.282 -1.360 98 HD2 NVA 16 HD2 NVA 15 33.190 -4.826 -0.708 99 HD3 NVA 16 HD3 NVA 15 32.738 -4.342 -2.342 100 HA PRO 17 HA PRO 16 34.557 1.243 -0.778 101 HB2 PRO 17 HB2 PRO 16 35.112 0.782 -3.392 102 HB3 PRO 17 HB1 PRO 16 36.288 0.517 -2.099 103 HG2 PRO 17 HG2 PRO 16 34.561 -1.464 -3.529 104 HG3 PRO 17 HG1 PRO 16 36.264 -1.599 -3.053 105 HD2 PRO 17 HD2 PRO 16 34.238 -2.746 -1.652 106 HD3 PRO 17 HD1 PRO 16 35.742 -2.190 -0.894 107 HA PRO 18 HA PRO 17 30.352 2.056 -2.126 108 HB2 PRO 18 HB2 PRO 17 30.804 4.734 -2.658 109 HB3 PRO 18 HB1 PRO 17 30.384 4.079 -1.073 110 HG2 PRO 18 HG2 PRO 17 33.064 4.809 -2.174 111 HG3 PRO 18 HG1 PRO 17 32.411 5.066 -0.545 112 HD2 PRO 18 HD2 PRO 17 34.142 3.090 -1.047 113 HD3 PRO 18 HD1 PRO 17 32.796 2.866 0.092 114 HA PRO 19 HA PRO 18 30.965 1.706 -6.533 115 HB2 PRO 19 HB2 PRO 18 28.368 1.884 -7.299 116 HB3 PRO 19 HB1 PRO 18 29.055 0.432 -6.566 117 HG2 PRO 19 HG2 PRO 18 27.425 2.600 -5.303 118 HG3 PRO 19 HG1 PRO 18 27.312 0.843 -5.086 119 HD2 PRO 19 HD2 PRO 18 28.557 2.461 -3.307 120 HD3 PRO 19 HD1 PRO 18 29.070 0.788 -3.599 121 H SER 20 HN SER 19 31.607 3.221 -7.921 122 HA SER 20 HA SER 19 30.106 5.737 -8.110 123 HB2 SER 20 HB2 SER 19 33.125 5.548 -7.924 124 HB3 SER 20 HB1 SER 19 32.198 7.025 -8.180 125 HG SER 20 HG SER 19 32.547 5.516 -5.870 126 HN1 NH2 21 H2 SER 19 29.547 3.966 -9.919 127 HN2 NH2 21 H1 SER 19 30.362 4.236 -11.419 Start of MODEL 25 1 H1 ACE 1 HA2 ALA 1 19.207 0.461 -6.297 2 H2 ACE 1 HA3 ALA 1 19.835 1.593 -7.501 3 H3 ACE 1 HA1 ALA 1 19.745 2.071 -5.800 4 H ALA 2 HN ALA 1 22.111 2.304 -7.180 5 HA ALA 2 HA ALA 1 23.745 -0.022 -6.549 6 HB1 ALA 2 HB2 ALA 1 25.463 1.964 -7.407 7 HB2 ALA 2 HB3 ALA 1 23.981 2.278 -8.309 8 HB3 ALA 2 HB1 ALA 1 24.752 0.696 -8.405 9 H TYR 3 HN TYR 2 23.933 3.479 -5.829 10 HA TYR 3 HA TYR 2 25.812 3.156 -3.729 11 HB2 TYR 3 HB2 TYR 2 25.436 5.271 -5.043 12 HB3 TYR 3 HB1 TYR 2 23.942 5.496 -4.139 13 HD1 TYR 3 HD1 TYR 2 27.587 5.648 -4.015 14 HD2 TYR 3 HD2 TYR 2 24.004 6.055 -1.754 15 HE1 TYR 3 HE1 TYR 2 28.847 6.781 -2.234 16 HE2 TYR 3 HE2 TYR 2 25.258 7.193 0.031 17 HH TYR 3 HH TYR 2 27.810 8.639 -0.141 18 H ALA 4 HN ALA 3 22.284 3.472 -3.791 19 HA ALA 4 HA ALA 3 21.850 3.713 -1.034 20 HB1 ALA 4 HB1 ALA 3 20.057 2.421 -3.088 21 HB2 ALA 4 HB2 ALA 3 20.120 4.143 -2.709 22 HB3 ALA 4 HB3 ALA 3 19.568 2.993 -1.492 23 H GLN 5 HN GLN 4 22.201 0.841 -3.086 24 HA GLN 5 HA GLN 4 21.589 -1.068 -1.084 25 HB2 GLN 5 HB2 GLN 4 21.645 -1.472 -3.580 26 HB3 GLN 5 HB1 GLN 4 23.399 -1.494 -3.466 27 HG2 GLN 5 HG2 GLN 4 22.619 -3.743 -3.473 28 HG3 GLN 5 HG1 GLN 4 23.215 -3.374 -1.856 29 HE21 GLN 5 HE21 GLN 4 20.377 -3.939 -3.811 30 HE22 GLN 5 HE22 GLN 4 19.293 -4.237 -2.498 31 H TRP 6 HN TRP 5 24.571 0.528 -2.078 32 HA TRP 6 HA TRP 5 26.439 -1.020 -0.704 33 HB2 TRP 6 HB2 TRP 5 27.203 0.618 -2.272 34 HB3 TRP 6 HB1 TRP 5 26.412 1.921 -1.396 35 HD1 TRP 6 HD1 TRP 5 29.314 -0.593 -0.837 36 HE1 TRP 6 HE1 TRP 5 31.094 0.569 0.609 37 HE3 TRP 6 HE3 TRP 5 26.901 3.830 0.031 38 HZ2 TRP 6 HZ2 TRP 5 31.436 3.024 1.942 39 HZ3 TRP 6 HZ3 TRP 5 28.028 5.536 1.403 40 HH2 TRP 6 HH2 TRP 5 30.250 5.136 2.337 41 H LEU 7 HN LEU 6 24.480 1.720 0.408 42 HA LEU 7 HA LEU 6 25.616 1.920 2.993 43 HB2 LEU 7 HB2 LEU 6 22.951 2.772 1.873 44 HB3 LEU 7 HB1 LEU 6 23.415 3.081 3.535 45 HG LEU 7 HG LEU 6 24.906 4.097 1.116 46 HD11 LEU 7 HD11 LEU 6 22.707 5.224 2.761 47 HD12 LEU 7 HD12 LEU 6 23.046 5.409 1.041 48 HD13 LEU 7 HD13 LEU 6 23.989 6.312 2.228 49 HD21 LEU 7 HD21 LEU 6 26.353 3.787 3.049 50 HD22 LEU 7 HD22 LEU 6 25.226 4.694 4.057 51 HD23 LEU 7 HD23 LEU 6 26.084 5.504 2.748 52 H ALA 8 HN ALA 7 22.967 0.002 1.674 53 HA ALA 8 HA ALA 7 21.813 -0.891 4.061 54 HB1 ALA 8 HB1 ALA 7 20.421 -1.680 2.518 55 HB2 ALA 8 HB2 ALA 7 21.555 -3.006 2.268 56 HB3 ALA 8 HB3 ALA 7 21.648 -1.564 1.258 57 H ASP 9 HN ASP 8 24.643 -2.058 2.301 58 HA ASP 9 HA ASP 8 24.940 -4.452 3.834 59 HB2 ASP 9 HB2 ASP 8 27.171 -3.092 2.328 60 HB3 ASP 9 HB1 ASP 8 26.964 -4.806 2.660 61 H DAL 10 HN DAL 9 25.615 -1.174 4.511 62 HA DAL 10 HA DAL 9 27.463 -1.941 6.674 63 HB1 DAL 10 HB1 DAL 9 25.417 0.241 6.933 64 HB2 DAL 10 HB2 DAL 9 26.350 -0.551 8.203 65 HB3 DAL 10 HB3 DAL 9 25.074 -1.435 7.367 66 H GLY 11 HN GLY 10 27.550 -0.441 3.853 67 HA2 GLY 11 HA2 GLY 10 28.741 1.285 2.926 68 HA3 GLY 11 HA1 GLY 10 28.507 2.163 4.429 69 HA PRO 12 HA PRO 11 33.013 1.713 4.406 70 HB2 PRO 12 HB2 PRO 11 32.785 3.404 6.816 71 HB3 PRO 12 HB1 PRO 11 33.704 3.675 5.332 72 HG2 PRO 12 HG2 PRO 11 31.492 5.084 5.885 73 HG3 PRO 12 HG1 PRO 11 31.902 4.608 4.227 74 HD2 PRO 12 HD2 PRO 11 29.905 3.405 6.108 75 HD3 PRO 12 HD1 PRO 11 29.773 3.705 4.363 76 H ALA 13 HN ALA 12 30.786 1.117 7.058 77 HA ALA 13 HA ALA 12 32.654 0.032 8.886 78 HB1 ALA 13 HB1 ALA 12 30.491 -1.074 9.820 79 HB2 ALA 13 HB2 ALA 12 29.680 -0.033 8.651 80 HB3 ALA 13 HB3 ALA 12 30.695 0.675 9.907 81 H SER 14 HN SER 13 30.642 -1.450 6.365 82 HA SER 14 HA SER 13 31.233 -4.135 7.065 83 HB2 SER 14 HB2 SER 13 30.353 -4.695 4.820 84 HB3 SER 14 HB1 SER 13 29.291 -3.599 5.699 85 HG SER 14 HG SER 13 29.753 -3.067 3.429 86 H DAL 15 HN DAL 14 32.979 -1.738 5.249 87 HA DAL 15 HA DAL 14 35.189 -3.610 4.926 88 HB1 DAL 15 HB1 DAL 14 36.530 -1.646 4.398 89 HB2 DAL 15 HB2 DAL 14 35.635 -1.405 5.899 90 HB3 DAL 15 HB3 DAL 14 35.081 -0.639 4.410 91 H NVA 16 HN NVA 15 32.977 -1.684 2.973 92 HA NVA 16 HA NVA 15 34.090 -2.928 0.546 93 HB2 NVA 16 HB1 NVA 15 31.183 -2.430 1.224 94 HB3 NVA 16 HB2 NVA 15 31.976 -3.994 1.136 95 HG2 NVA 16 HG1 NVA 15 32.071 -2.300 -1.293 96 HG3 NVA 16 HG2 NVA 15 30.517 -3.018 -0.856 97 HD1 NVA 16 HD1 NVA 15 31.954 -5.196 -0.604 98 HD2 NVA 16 HD2 NVA 15 33.054 -4.338 -1.683 99 HD3 NVA 16 HD3 NVA 15 31.396 -4.661 -2.189 100 HA PRO 17 HA PRO 16 34.458 1.292 -0.801 101 HB2 PRO 17 HB2 PRO 16 35.048 0.836 -3.402 102 HB3 PRO 17 HB1 PRO 16 36.206 0.546 -2.098 103 HG2 PRO 17 HG2 PRO 16 34.463 -1.405 -3.552 104 HG3 PRO 17 HG1 PRO 16 36.165 -1.561 -3.081 105 HD2 PRO 17 HD2 PRO 16 34.135 -2.697 -1.678 106 HD3 PRO 17 HD1 PRO 16 35.644 -2.153 -0.922 107 HA PRO 18 HA PRO 17 30.246 2.056 -2.166 108 HB2 PRO 18 HB2 PRO 17 30.657 4.743 -2.677 109 HB3 PRO 18 HB1 PRO 17 30.244 4.068 -1.099 110 HG2 PRO 18 HG2 PRO 17 32.918 4.842 -2.190 111 HG3 PRO 18 HG1 PRO 17 32.257 5.089 -0.562 112 HD2 PRO 18 HD2 PRO 17 34.014 3.136 -1.059 113 HD3 PRO 18 HD1 PRO 17 32.664 2.887 0.069 114 HA PRO 19 HA PRO 18 30.530 1.589 -6.573 115 HB2 PRO 19 HB2 PRO 18 27.968 3.112 -6.567 116 HB3 PRO 19 HB1 PRO 18 28.350 1.553 -7.306 117 HG2 PRO 19 HG2 PRO 18 26.903 1.683 -5.075 118 HG3 PRO 19 HG1 PRO 18 28.098 0.396 -5.315 119 HD2 PRO 19 HD2 PRO 18 28.259 2.841 -3.612 120 HD3 PRO 19 HD1 PRO 18 28.902 1.213 -3.318 121 H SER 20 HN SER 19 31.930 2.815 -7.670 122 HA SER 20 HA SER 19 31.727 5.729 -7.566 123 HB2 SER 20 HB2 SER 19 33.876 3.933 -8.720 124 HB3 SER 20 HB1 SER 19 33.946 5.696 -8.676 125 HG SER 20 HG SER 19 34.917 4.263 -6.877 126 HN1 NH2 21 H2 SER 19 31.157 6.975 -9.261 127 HN2 NH2 21 H1 SER 19 30.737 6.383 -10.829 Start of MODEL 26 1 H1 ACE 1 HA2 ALA 1 19.653 1.172 -6.914 2 H2 ACE 1 HA3 ALA 1 20.571 2.636 -7.293 3 H3 ACE 1 HA1 ALA 1 19.858 2.431 -5.688 4 H ALA 2 HN ALA 1 22.612 2.006 -7.594 5 HA ALA 2 HA ALA 1 23.815 -0.200 -6.279 6 HB1 ALA 2 HB2 ALA 1 24.962 2.051 -7.912 7 HB2 ALA 2 HB3 ALA 1 24.664 0.385 -8.409 8 HB3 ALA 2 HB1 ALA 1 25.946 0.745 -7.251 9 H TYR 3 HN TYR 2 24.270 3.322 -5.890 10 HA TYR 3 HA TYR 2 26.081 3.129 -3.729 11 HB2 TYR 3 HB2 TYR 2 25.696 5.152 -5.200 12 HB3 TYR 3 HB1 TYR 2 24.223 5.447 -4.283 13 HD1 TYR 3 HD1 TYR 2 27.867 5.600 -4.251 14 HD2 TYR 3 HD2 TYR 2 24.338 6.134 -1.929 15 HE1 TYR 3 HE1 TYR 2 29.165 6.844 -2.575 16 HE2 TYR 3 HE2 TYR 2 25.634 7.381 -0.247 17 HH TYR 3 HH TYR 2 28.721 7.267 0.156 18 H ALA 4 HN ALA 3 22.555 3.447 -3.866 19 HA ALA 4 HA ALA 3 22.105 3.831 -1.115 20 HB1 ALA 4 HB1 ALA 3 20.326 2.623 -3.228 21 HB2 ALA 4 HB2 ALA 3 20.375 4.309 -2.710 22 HB3 ALA 4 HB3 ALA 3 19.798 3.062 -1.603 23 H GLN 5 HN GLN 4 22.322 0.881 -3.080 24 HA GLN 5 HA GLN 4 21.637 -0.946 -1.036 25 HB2 GLN 5 HB2 GLN 4 21.683 -1.466 -3.486 26 HB3 GLN 5 HB1 GLN 4 23.439 -1.448 -3.413 27 HG2 GLN 5 HG2 GLN 4 23.347 -3.613 -2.962 28 HG3 GLN 5 HG1 GLN 4 22.685 -3.186 -1.385 29 HE21 GLN 5 HE21 GLN 4 22.176 -4.938 -4.160 30 HE22 GLN 5 HE22 GLN 4 20.480 -5.219 -3.997 31 H TRP 6 HN TRP 5 24.687 0.501 -2.045 32 HA TRP 6 HA TRP 5 26.496 -1.047 -0.611 33 HB2 TRP 6 HB2 TRP 5 27.320 0.545 -2.193 34 HB3 TRP 6 HB1 TRP 5 26.535 1.880 -1.360 35 HD1 TRP 6 HD1 TRP 5 29.383 -0.672 -0.669 36 HE1 TRP 6 HE1 TRP 5 31.158 0.507 0.770 37 HE3 TRP 6 HE3 TRP 5 27.045 3.826 -0.008 38 HZ2 TRP 6 HZ2 TRP 5 31.524 3.005 2.019 39 HZ3 TRP 6 HZ3 TRP 5 28.178 5.558 1.324 40 HH2 TRP 6 HH2 TRP 5 30.373 5.151 2.316 41 H LEU 7 HN LEU 6 24.601 1.769 0.439 42 HA LEU 7 HA LEU 6 25.705 1.966 3.036 43 HB2 LEU 7 HB2 LEU 6 23.066 2.863 1.892 44 HB3 LEU 7 HB1 LEU 6 23.544 3.196 3.545 45 HG LEU 7 HG LEU 6 25.045 4.126 1.097 46 HD11 LEU 7 HD11 LEU 6 22.675 5.091 1.769 47 HD12 LEU 7 HD12 LEU 6 23.982 6.135 1.215 48 HD13 LEU 7 HD13 LEU 6 23.646 5.986 2.939 49 HD21 LEU 7 HD21 LEU 6 25.407 4.747 4.028 50 HD22 LEU 7 HD22 LEU 6 26.259 5.543 2.705 51 HD23 LEU 7 HD23 LEU 6 26.509 3.824 3.006 52 H ALA 8 HN ALA 7 22.990 0.143 1.709 53 HA ALA 8 HA ALA 7 21.825 -0.724 4.105 54 HB1 ALA 8 HB1 ALA 7 20.516 -2.089 2.819 55 HB2 ALA 8 HB2 ALA 7 21.843 -2.541 1.749 56 HB3 ALA 8 HB3 ALA 7 21.080 -0.959 1.588 57 H ASP 9 HN ASP 8 24.561 -1.999 2.268 58 HA ASP 9 HA ASP 8 24.799 -4.413 3.776 59 HB2 ASP 9 HB2 ASP 8 27.031 -3.105 2.219 60 HB3 ASP 9 HB1 ASP 8 26.810 -4.814 2.575 61 H DAL 10 HN DAL 9 25.610 -1.170 4.467 62 HA DAL 10 HA DAL 9 27.489 -2.015 6.571 63 HB1 DAL 10 HB1 DAL 9 24.899 -0.839 6.860 64 HB2 DAL 10 HB2 DAL 9 26.121 0.261 7.496 65 HB3 DAL 10 HB3 DAL 9 26.018 -1.391 8.107 66 H GLY 11 HN GLY 10 27.575 -0.504 3.785 67 HA2 GLY 11 HA2 GLY 10 28.809 1.190 2.854 68 HA3 GLY 11 HA1 GLY 10 28.503 2.107 4.321 69 HA PRO 12 HA PRO 11 33.007 1.741 4.544 70 HB2 PRO 12 HB2 PRO 11 32.609 3.373 6.976 71 HB3 PRO 12 HB1 PRO 11 33.604 3.696 5.552 72 HG2 PRO 12 HG2 PRO 11 31.337 5.046 6.008 73 HG3 PRO 12 HG1 PRO 11 31.846 4.613 4.366 74 HD2 PRO 12 HD2 PRO 11 29.775 3.334 6.111 75 HD3 PRO 12 HD1 PRO 11 29.734 3.665 4.367 76 H ALA 13 HN ALA 12 30.649 1.031 7.048 77 HA ALA 13 HA ALA 12 32.454 -0.072 8.942 78 HB1 ALA 13 HB1 ALA 12 30.254 0.723 9.597 79 HB2 ALA 13 HB2 ALA 12 30.460 -0.973 10.034 80 HB3 ALA 13 HB3 ALA 12 29.492 -0.536 8.625 81 H SER 14 HN SER 13 30.617 -1.483 6.258 82 HA SER 14 HA SER 13 31.200 -4.187 6.953 83 HB2 SER 14 HB2 SER 13 30.397 -4.705 4.649 84 HB3 SER 14 HB1 SER 13 29.273 -3.714 5.574 85 HG SER 14 HG SER 13 30.890 -3.012 3.395 86 H DAL 15 HN DAL 14 32.958 -1.717 5.274 87 HA DAL 15 HA DAL 14 35.224 -3.503 4.988 88 HB1 DAL 15 HB1 DAL 14 36.457 -1.463 4.358 89 HB2 DAL 15 HB2 DAL 14 35.617 -1.296 5.899 90 HB3 DAL 15 HB3 DAL 14 34.952 -0.547 4.447 91 H NVA 16 HN NVA 15 33.030 -1.665 2.914 92 HA NVA 16 HA NVA 15 34.221 -2.978 0.561 93 HB2 NVA 16 HB1 NVA 15 31.294 -2.523 1.172 94 HB3 NVA 16 HB2 NVA 15 32.121 -4.070 1.086 95 HG2 NVA 16 HG1 NVA 15 32.622 -3.465 -1.349 96 HG3 NVA 16 HG2 NVA 15 31.391 -2.212 -1.151 97 HD1 NVA 16 HD1 NVA 15 30.553 -4.838 -0.192 98 HD2 NVA 16 HD2 NVA 15 30.922 -4.795 -1.916 99 HD3 NVA 16 HD3 NVA 15 29.721 -3.693 -1.244 100 HA PRO 17 HA PRO 16 34.624 1.183 -0.933 101 HB2 PRO 17 HB2 PRO 16 35.083 0.632 -3.556 102 HB3 PRO 17 HB1 PRO 16 36.300 0.413 -2.295 103 HG2 PRO 17 HG2 PRO 16 34.521 -1.617 -3.586 104 HG3 PRO 17 HG1 PRO 16 36.240 -1.739 -3.166 105 HD2 PRO 17 HD2 PRO 16 34.285 -2.836 -1.647 106 HD3 PRO 17 HD1 PRO 16 35.798 -2.217 -0.958 107 HA PRO 18 HA PRO 17 30.361 1.991 -2.127 108 HB2 PRO 18 HB2 PRO 17 30.832 4.666 -2.697 109 HB3 PRO 18 HB1 PRO 17 30.409 4.023 -1.108 110 HG2 PRO 18 HG2 PRO 17 33.089 4.734 -2.219 111 HG3 PRO 18 HG1 PRO 17 32.449 4.980 -0.583 112 HD2 PRO 18 HD2 PRO 17 34.167 3.000 -1.113 113 HD3 PRO 18 HD1 PRO 17 32.828 2.771 0.032 114 HA PRO 19 HA PRO 18 30.854 1.738 -6.555 115 HB2 PRO 19 HB2 PRO 18 28.256 1.575 -7.226 116 HB3 PRO 19 HB1 PRO 18 29.099 0.244 -6.424 117 HG2 PRO 19 HG2 PRO 18 27.252 2.287 -5.265 118 HG3 PRO 19 HG1 PRO 18 27.359 0.552 -4.924 119 HD2 PRO 19 HD2 PRO 18 28.459 2.512 -3.339 120 HD3 PRO 19 HD1 PRO 18 29.041 0.838 -3.402 121 H SER 20 HN SER 19 31.475 3.479 -7.672 122 HA SER 20 HA SER 19 29.535 5.568 -8.256 123 HB2 SER 20 HB2 SER 19 32.121 6.051 -6.792 124 HB3 SER 20 HB1 SER 19 31.387 7.313 -7.781 125 HG SER 20 HG SER 19 30.478 6.152 -5.399 126 HN1 NH2 21 H2 SER 19 33.015 4.868 -8.650 127 HN2 NH2 21 H1 SER 19 33.035 5.083 -10.364 Start of MODEL 27 1 H1 ACE 1 HA2 ALA 1 20.205 2.433 -7.946 2 H2 ACE 1 HA3 ALA 1 20.151 3.264 -6.386 3 H3 ACE 1 HA1 ALA 1 20.101 1.496 -6.449 4 H ALA 2 HN ALA 1 21.962 0.376 -6.456 5 HA ALA 2 HA ALA 1 24.179 -0.123 -6.463 6 HB1 ALA 2 HB2 ALA 1 24.005 1.936 -8.373 7 HB2 ALA 2 HB3 ALA 1 25.288 0.744 -8.174 8 HB3 ALA 2 HB1 ALA 1 25.402 2.304 -7.361 9 H TYR 3 HN TYR 2 24.198 3.399 -5.811 10 HA TYR 3 HA TYR 2 26.018 3.139 -3.644 11 HB2 TYR 3 HB2 TYR 2 25.710 5.197 -5.069 12 HB3 TYR 3 HB1 TYR 2 24.203 5.489 -4.207 13 HD1 TYR 3 HD1 TYR 2 27.838 5.628 -4.038 14 HD2 TYR 3 HD2 TYR 2 24.235 6.100 -1.823 15 HE1 TYR 3 HE1 TYR 2 29.081 6.816 -2.280 16 HE2 TYR 3 HE2 TYR 2 25.471 7.290 -0.061 17 HH TYR 3 HH TYR 2 28.048 8.731 -0.269 18 H ALA 4 HN ALA 3 22.498 3.508 -3.845 19 HA ALA 4 HA ALA 3 21.984 3.847 -1.104 20 HB1 ALA 4 HB1 ALA 3 19.695 3.139 -1.631 21 HB2 ALA 4 HB2 ALA 3 20.235 2.589 -3.218 22 HB3 ALA 4 HB3 ALA 3 20.307 4.303 -2.806 23 H GLN 5 HN GLN 4 22.313 0.931 -3.090 24 HA GLN 5 HA GLN 4 21.602 -0.918 -1.057 25 HB2 GLN 5 HB2 GLN 4 22.632 -1.026 -3.788 26 HB3 GLN 5 HB1 GLN 4 23.310 -2.285 -2.765 27 HG2 GLN 5 HG2 GLN 4 21.339 -3.088 -3.906 28 HG3 GLN 5 HG1 GLN 4 21.056 -3.015 -2.168 29 HE21 GLN 5 HE21 GLN 4 19.503 -1.663 -1.368 30 HE22 GLN 5 HE22 GLN 4 18.430 -0.746 -2.364 31 H TRP 6 HN TRP 5 24.640 0.564 -2.058 32 HA TRP 6 HA TRP 5 26.448 -1.020 -0.646 33 HB2 TRP 6 HB2 TRP 5 27.289 0.561 -2.227 34 HB3 TRP 6 HB1 TRP 5 26.515 1.905 -1.399 35 HD1 TRP 6 HD1 TRP 5 29.343 -0.666 -0.721 36 HE1 TRP 6 HE1 TRP 5 31.124 0.488 0.729 37 HE3 TRP 6 HE3 TRP 5 27.031 3.842 -0.016 38 HZ2 TRP 6 HZ2 TRP 5 31.507 2.970 2.001 39 HZ3 TRP 6 HZ3 TRP 5 28.179 5.553 1.332 40 HH2 TRP 6 HH2 TRP 5 30.371 5.122 2.318 41 H LEU 7 HN LEU 6 24.548 1.783 0.407 42 HA LEU 7 HA LEU 6 25.670 1.989 2.999 43 HB2 LEU 7 HB2 LEU 6 23.034 2.899 1.858 44 HB3 LEU 7 HB1 LEU 6 23.517 3.232 3.510 45 HG LEU 7 HG LEU 6 25.037 4.144 1.066 46 HD11 LEU 7 HD11 LEU 6 24.163 6.412 2.109 47 HD12 LEU 7 HD12 LEU 6 22.849 5.369 2.652 48 HD13 LEU 7 HD13 LEU 6 23.217 5.502 0.932 49 HD21 LEU 7 HD21 LEU 6 26.474 3.869 2.999 50 HD22 LEU 7 HD22 LEU 6 25.352 4.792 3.997 51 HD23 LEU 7 HD23 LEU 6 26.220 5.584 2.681 52 H ALA 8 HN ALA 7 22.948 0.164 1.684 53 HA ALA 8 HA ALA 7 21.783 -0.681 4.087 54 HB1 ALA 8 HB1 ALA 7 20.391 -1.191 2.381 55 HB2 ALA 8 HB2 ALA 7 21.208 -2.751 2.483 56 HB3 ALA 8 HB3 ALA 7 21.708 -1.571 1.271 57 H ASP 9 HN ASP 8 24.542 -1.948 2.289 58 HA ASP 9 HA ASP 8 24.764 -4.366 3.798 59 HB2 ASP 9 HB2 ASP 8 27.011 -3.052 2.268 60 HB3 ASP 9 HB1 ASP 8 26.794 -4.759 2.625 61 H DAL 10 HN DAL 9 25.553 -1.121 4.507 62 HA DAL 10 HA DAL 9 27.407 -1.965 6.632 63 HB1 DAL 10 HB1 DAL 9 26.359 -0.484 8.179 64 HB2 DAL 10 HB2 DAL 9 25.102 -1.486 7.455 65 HB3 DAL 10 HB3 DAL 9 25.317 0.182 6.921 66 H GLY 11 HN GLY 10 27.529 -0.462 3.843 67 HA2 GLY 11 HA2 GLY 10 28.724 1.264 2.921 68 HA3 GLY 11 HA1 GLY 10 28.508 2.136 4.430 69 HA PRO 12 HA PRO 11 33.009 1.626 4.405 70 HB2 PRO 12 HB2 PRO 11 32.797 3.259 6.859 71 HB3 PRO 12 HB1 PRO 11 33.723 3.555 5.383 72 HG2 PRO 12 HG2 PRO 11 31.529 4.977 5.969 73 HG3 PRO 12 HG1 PRO 11 31.937 4.541 4.300 74 HD2 PRO 12 HD2 PRO 11 29.917 3.318 6.140 75 HD3 PRO 12 HD1 PRO 11 29.798 3.660 4.402 76 H ALA 13 HN ALA 12 30.776 1.004 7.051 77 HA ALA 13 HA ALA 12 32.631 -0.162 8.843 78 HB1 ALA 13 HB1 ALA 12 30.692 0.482 9.896 79 HB2 ALA 13 HB2 ALA 12 30.444 -1.257 9.748 80 HB3 ALA 13 HB3 ALA 12 29.655 -0.156 8.619 81 H SER 14 HN SER 13 30.571 -1.551 6.303 82 HA SER 14 HA SER 13 31.104 -4.259 6.926 83 HB2 SER 14 HB2 SER 13 30.209 -4.755 4.687 84 HB3 SER 14 HB1 SER 13 29.190 -3.605 5.547 85 HG SER 14 HG SER 13 29.710 -2.079 4.158 86 H DAL 15 HN DAL 14 32.917 -1.862 5.170 87 HA DAL 15 HA DAL 14 35.107 -3.751 4.858 88 HB1 DAL 15 HB1 DAL 14 36.453 -1.790 4.296 89 HB2 DAL 15 HB2 DAL 14 35.576 -1.550 5.807 90 HB3 DAL 15 HB3 DAL 14 35.005 -0.783 4.326 91 H NVA 16 HN NVA 15 32.933 -1.814 2.870 92 HA NVA 16 HA NVA 15 34.038 -3.107 0.464 93 HB2 NVA 16 HB1 NVA 15 31.140 -2.549 1.128 94 HB3 NVA 16 HB2 NVA 15 31.904 -4.128 1.029 95 HG2 NVA 16 HG1 NVA 15 32.404 -3.527 -1.411 96 HG3 NVA 16 HG2 NVA 15 31.214 -2.239 -1.192 97 HD1 NVA 16 HD1 NVA 15 30.169 -4.205 -2.147 98 HD2 NVA 16 HD2 NVA 15 29.553 -3.918 -0.520 99 HD3 NVA 16 HD3 NVA 15 30.744 -5.189 -0.801 100 HA PRO 17 HA PRO 16 34.543 1.077 -0.934 101 HB2 PRO 17 HB2 PRO 16 35.005 0.575 -3.562 102 HB3 PRO 17 HB1 PRO 16 36.206 0.281 -2.300 103 HG2 PRO 17 HG2 PRO 16 34.370 -1.652 -3.658 104 HG3 PRO 17 HG1 PRO 16 36.080 -1.842 -3.231 105 HD2 PRO 17 HD2 PRO 16 34.068 -2.908 -1.756 106 HD3 PRO 17 HD1 PRO 16 35.605 -2.379 -1.044 107 HA PRO 18 HA PRO 17 30.322 2.016 -2.166 108 HB2 PRO 18 HB2 PRO 17 30.815 4.700 -2.609 109 HB3 PRO 18 HB1 PRO 17 30.424 3.996 -1.037 110 HG2 PRO 18 HG2 PRO 17 33.090 4.713 -2.186 111 HG3 PRO 18 HG1 PRO 17 32.485 4.933 -0.533 112 HD2 PRO 18 HD2 PRO 17 34.160 2.939 -1.146 113 HD3 PRO 18 HD1 PRO 17 32.847 2.709 0.029 114 HA PRO 19 HA PRO 18 30.868 1.817 -6.596 115 HB2 PRO 19 HB2 PRO 18 28.260 2.046 -7.312 116 HB3 PRO 19 HB1 PRO 18 28.943 0.562 -6.640 117 HG2 PRO 19 HG2 PRO 18 27.358 2.703 -5.277 118 HG3 PRO 19 HG1 PRO 18 27.225 0.942 -5.121 119 HD2 PRO 19 HD2 PRO 18 28.517 2.481 -3.304 120 HD3 PRO 19 HD1 PRO 18 29.003 0.812 -3.664 121 H SER 20 HN SER 19 31.864 3.600 -7.371 122 HA SER 20 HA SER 19 30.187 5.885 -8.076 123 HB2 SER 20 HB2 SER 19 32.743 6.085 -6.471 124 HB3 SER 20 HB1 SER 19 32.010 7.457 -7.304 125 HG SER 20 HG SER 19 30.405 7.485 -5.887 126 HN1 NH2 21 H2 SER 19 30.350 5.711 -10.233 127 HN2 NH2 21 H1 SER 19 31.831 5.644 -11.120 Start of MODEL 28 1 H1 ACE 1 HA2 ALA 1 19.836 1.985 -6.238 2 H2 ACE 1 HA3 ALA 1 19.289 0.361 -6.639 3 H3 ACE 1 HA1 ALA 1 19.673 1.534 -7.931 4 H ALA 2 HN ALA 1 21.964 2.467 -6.169 5 HA ALA 2 HA ALA 1 23.796 0.194 -6.449 6 HB1 ALA 2 HB2 ALA 1 24.392 1.148 -8.432 7 HB2 ALA 2 HB3 ALA 1 25.448 2.061 -7.354 8 HB3 ALA 2 HB1 ALA 1 23.936 2.773 -7.918 9 H TYR 3 HN TYR 2 24.091 3.683 -5.698 10 HA TYR 3 HA TYR 2 25.962 3.292 -3.624 11 HB2 TYR 3 HB2 TYR 2 25.577 5.433 -4.906 12 HB3 TYR 3 HB1 TYR 2 24.126 5.674 -3.938 13 HD1 TYR 3 HD1 TYR 2 27.774 5.758 -3.960 14 HD2 TYR 3 HD2 TYR 2 24.293 6.190 -1.550 15 HE1 TYR 3 HE1 TYR 2 29.125 6.842 -2.215 16 HE2 TYR 3 HE2 TYR 2 25.637 7.276 0.202 17 HH TYR 3 HH TYR 2 28.218 8.681 -0.060 18 H ALA 4 HN ALA 3 22.438 3.686 -3.600 19 HA ALA 4 HA ALA 3 22.090 3.842 -0.815 20 HB1 ALA 4 HB1 ALA 3 20.313 4.442 -2.344 21 HB2 ALA 4 HB2 ALA 3 19.763 3.162 -1.262 22 HB3 ALA 4 HB3 ALA 3 20.214 2.779 -2.924 23 H GLN 5 HN GLN 4 22.255 1.074 -3.019 24 HA GLN 5 HA GLN 4 21.614 -0.926 -1.129 25 HB2 GLN 5 HB2 GLN 4 21.714 -1.104 -3.693 26 HB3 GLN 5 HB1 GLN 4 23.444 -1.340 -3.487 27 HG2 GLN 5 HG2 GLN 4 21.884 -3.069 -1.759 28 HG3 GLN 5 HG1 GLN 4 21.502 -3.296 -3.465 29 HE21 GLN 5 HE21 GLN 4 23.309 -3.724 -4.919 30 HE22 GLN 5 HE22 GLN 4 24.680 -4.588 -4.319 31 H TRP 6 HN TRP 5 24.625 0.650 -2.038 32 HA TRP 6 HA TRP 5 26.459 -1.027 -0.752 33 HB2 TRP 6 HB2 TRP 5 27.280 0.632 -2.265 34 HB3 TRP 6 HB1 TRP 5 26.516 1.932 -1.361 35 HD1 TRP 6 HD1 TRP 5 29.327 -0.692 -0.773 36 HE1 TRP 6 HE1 TRP 5 31.140 0.418 0.675 37 HE3 TRP 6 HE3 TRP 5 27.096 3.846 0.002 38 HZ2 TRP 6 HZ2 TRP 5 31.573 2.881 1.972 39 HZ3 TRP 6 HZ3 TRP 5 28.283 5.523 1.358 40 HH2 TRP 6 HH2 TRP 5 30.473 5.048 2.321 41 H LEU 7 HN LEU 6 24.647 1.780 0.458 42 HA LEU 7 HA LEU 6 25.794 1.844 3.037 43 HB2 LEU 7 HB2 LEU 6 23.157 2.835 1.970 44 HB3 LEU 7 HB1 LEU 6 23.650 3.080 3.635 45 HG LEU 7 HG LEU 6 25.123 4.115 1.210 46 HD11 LEU 7 HD11 LEU 6 24.387 6.334 2.312 47 HD12 LEU 7 HD12 LEU 6 23.152 5.347 3.093 48 HD13 LEU 7 HD13 LEU 6 23.226 5.437 1.333 49 HD21 LEU 7 HD21 LEU 6 26.409 5.408 2.885 50 HD22 LEU 7 HD22 LEU 6 26.657 3.666 3.018 51 HD23 LEU 7 HD23 LEU 6 25.605 4.498 4.164 52 H ALA 8 HN ALA 7 23.092 0.044 1.674 53 HA ALA 8 HA ALA 7 21.892 -0.855 4.036 54 HB1 ALA 8 HB1 ALA 7 20.487 -1.583 2.478 55 HB2 ALA 8 HB2 ALA 7 21.593 -2.925 2.191 56 HB3 ALA 8 HB3 ALA 7 21.718 -1.457 1.223 57 H ASP 9 HN ASP 8 24.675 -2.109 2.250 58 HA ASP 9 HA ASP 8 24.891 -4.522 3.767 59 HB2 ASP 9 HB2 ASP 8 27.192 -3.260 2.290 60 HB3 ASP 9 HB1 ASP 8 26.862 -4.967 2.559 61 H DAL 10 HN DAL 9 25.693 -1.281 4.461 62 HA DAL 10 HA DAL 9 27.561 -2.116 6.580 63 HB1 DAL 10 HB1 DAL 9 25.460 -1.730 7.638 64 HB2 DAL 10 HB2 DAL 9 25.251 -0.196 6.794 65 HB3 DAL 10 HB3 DAL 9 26.508 -0.364 8.017 66 H GLY 11 HN GLY 10 27.644 -0.600 3.791 67 HA2 GLY 11 HA2 GLY 10 28.817 1.142 2.868 68 HA3 GLY 11 HA1 GLY 10 28.597 2.006 4.380 69 HA PRO 12 HA PRO 11 33.101 1.555 4.352 70 HB2 PRO 12 HB2 PRO 11 32.860 3.148 6.830 71 HB3 PRO 12 HB1 PRO 11 33.788 3.479 5.364 72 HG2 PRO 12 HG2 PRO 11 31.575 4.864 5.959 73 HG3 PRO 12 HG1 PRO 11 31.992 4.452 4.285 74 HD2 PRO 12 HD2 PRO 11 29.986 3.181 6.109 75 HD3 PRO 12 HD1 PRO 11 29.864 3.545 4.375 76 H ALA 13 HN ALA 12 30.863 0.846 6.966 77 HA ALA 13 HA ALA 12 32.742 -0.338 8.734 78 HB1 ALA 13 HB1 ALA 12 30.710 -1.321 9.822 79 HB2 ALA 13 HB2 ALA 12 29.747 -0.577 8.544 80 HB3 ALA 13 HB3 ALA 12 30.686 0.433 9.643 81 H SER 14 HN SER 13 30.715 -1.649 6.136 82 HA SER 14 HA SER 13 31.219 -4.380 6.721 83 HB2 SER 14 HB2 SER 13 30.340 -4.822 4.458 84 HB3 SER 14 HB1 SER 13 29.310 -3.707 5.350 85 HG SER 14 HG SER 13 30.952 -3.245 3.139 86 H DAL 15 HN DAL 14 33.036 -1.947 5.018 87 HA DAL 15 HA DAL 14 35.235 -3.821 4.689 88 HB1 DAL 15 HB1 DAL 14 36.553 -1.823 4.110 89 HB2 DAL 15 HB2 DAL 14 35.726 -1.654 5.659 90 HB3 DAL 15 HB3 DAL 14 35.091 -0.843 4.228 91 H NVA 16 HN NVA 15 33.078 -1.855 2.700 92 HA NVA 16 HA NVA 15 34.220 -3.102 0.291 93 HB2 NVA 16 HB1 NVA 15 31.291 -2.629 0.887 94 HB3 NVA 16 HB2 NVA 15 32.100 -4.189 0.879 95 HG2 NVA 16 HG1 NVA 15 32.608 -3.848 -1.532 96 HG3 NVA 16 HG2 NVA 15 31.626 -2.380 -1.481 97 HD1 NVA 16 HD1 NVA 15 29.725 -3.537 -1.594 98 HD2 NVA 16 HD2 NVA 15 30.256 -4.688 -0.368 99 HD3 NVA 16 HD3 NVA 15 30.724 -4.915 -2.053 100 HA PRO 17 HA PRO 16 34.591 1.097 -1.090 101 HB2 PRO 17 HB2 PRO 16 34.983 0.626 -3.738 102 HB3 PRO 17 HB1 PRO 16 36.229 0.360 -2.514 103 HG2 PRO 17 HG2 PRO 16 34.404 -1.619 -3.821 104 HG3 PRO 17 HG1 PRO 16 36.134 -1.762 -3.454 105 HD2 PRO 17 HD2 PRO 16 34.217 -2.898 -1.916 106 HD3 PRO 17 HD1 PRO 16 35.749 -2.301 -1.247 107 HA PRO 18 HA PRO 17 30.314 1.967 -2.172 108 HB2 PRO 18 HB2 PRO 17 30.764 4.663 -2.616 109 HB3 PRO 18 HB1 PRO 17 30.407 3.944 -1.044 110 HG2 PRO 18 HG2 PRO 17 33.043 4.703 -2.229 111 HG3 PRO 18 HG1 PRO 17 32.464 4.894 -0.563 112 HD2 PRO 18 HD2 PRO 17 34.154 2.931 -1.224 113 HD3 PRO 18 HD1 PRO 17 32.856 2.665 -0.040 114 HA PRO 19 HA PRO 18 30.686 2.008 -6.617 115 HB2 PRO 19 HB2 PRO 18 28.083 1.846 -7.232 116 HB3 PRO 19 HB1 PRO 18 28.940 0.492 -6.485 117 HG2 PRO 19 HG2 PRO 18 27.100 2.491 -5.240 118 HG3 PRO 19 HG1 PRO 18 27.232 0.749 -4.941 119 HD2 PRO 19 HD2 PRO 18 28.358 2.717 -3.354 120 HD3 PRO 19 HD1 PRO 18 28.897 1.030 -3.410 121 H SER 20 HN SER 19 31.509 4.275 -6.458 122 HA SER 20 HA SER 19 29.474 6.245 -7.274 123 HB2 SER 20 HB2 SER 19 32.061 6.553 -5.763 124 HB3 SER 20 HB1 SER 19 31.314 7.924 -6.583 125 HG SER 20 HG SER 19 30.224 8.075 -4.787 126 HN1 NH2 21 H2 SER 19 32.927 5.496 -7.772 127 HN2 NH2 21 H1 SER 19 32.960 5.959 -9.436 Start of MODEL 29 1 H1 ACE 1 HA2 ALA 1 19.986 0.355 -7.340 2 H2 ACE 1 HA3 ALA 1 20.536 2.002 -7.002 3 H3 ACE 1 HA1 ALA 1 19.805 1.032 -5.715 4 H ALA 2 HN ALA 1 22.679 1.830 -7.403 5 HA ALA 2 HA ALA 1 24.214 -0.408 -6.397 6 HB1 ALA 2 HB2 ALA 1 24.929 2.045 -7.979 7 HB2 ALA 2 HB3 ALA 1 24.921 0.362 -8.504 8 HB3 ALA 2 HB1 ALA 1 26.150 0.928 -7.372 9 H TYR 3 HN TYR 2 24.410 3.135 -5.954 10 HA TYR 3 HA TYR 2 26.167 2.984 -3.736 11 HB2 TYR 3 HB2 TYR 2 25.849 4.977 -5.250 12 HB3 TYR 3 HB1 TYR 2 24.327 5.281 -4.419 13 HD1 TYR 3 HD1 TYR 2 27.951 5.508 -4.225 14 HD2 TYR 3 HD2 TYR 2 24.322 5.967 -2.048 15 HE1 TYR 3 HE1 TYR 2 29.150 6.797 -2.508 16 HE2 TYR 3 HE2 TYR 2 25.515 7.257 -0.326 17 HH TYR 3 HH TYR 2 27.944 7.423 0.508 18 H ALA 4 HN ALA 3 22.646 3.277 -4.012 19 HA ALA 4 HA ALA 3 22.076 3.733 -1.301 20 HB1 ALA 4 HB1 ALA 3 20.406 2.386 -3.421 21 HB2 ALA 4 HB2 ALA 3 20.406 4.099 -2.998 22 HB3 ALA 4 HB3 ALA 3 19.809 2.907 -1.845 23 H GLN 5 HN GLN 4 22.444 0.714 -3.136 24 HA GLN 5 HA GLN 4 21.722 -1.041 -1.040 25 HB2 GLN 5 HB2 GLN 4 21.801 -1.745 -3.395 26 HB3 GLN 5 HB1 GLN 4 23.546 -1.527 -3.407 27 HG2 GLN 5 HG2 GLN 4 22.988 -3.866 -3.204 28 HG3 GLN 5 HG1 GLN 4 23.773 -3.297 -1.731 29 HE21 GLN 5 HE21 GLN 4 22.773 -3.602 0.160 30 HE22 GLN 5 HE22 GLN 4 21.153 -4.174 0.346 31 H TRP 6 HN TRP 5 24.804 0.360 -2.058 32 HA TRP 6 HA TRP 5 26.575 -1.066 -0.478 33 HB2 TRP 6 HB2 TRP 5 27.414 0.459 -2.125 34 HB3 TRP 6 HB1 TRP 5 26.613 1.824 -1.359 35 HD1 TRP 6 HD1 TRP 5 29.450 -0.693 -0.526 36 HE1 TRP 6 HE1 TRP 5 31.200 0.540 0.898 37 HE3 TRP 6 HE3 TRP 5 27.095 3.822 -0.066 38 HZ2 TRP 6 HZ2 TRP 5 31.542 3.081 2.065 39 HZ3 TRP 6 HZ3 TRP 5 28.204 5.603 1.223 40 HH2 TRP 6 HH2 TRP 5 30.381 5.236 2.266 41 H LEU 7 HN LEU 6 24.640 1.794 0.366 42 HA LEU 7 HA LEU 6 25.663 2.123 2.983 43 HB2 LEU 7 HB2 LEU 6 23.065 2.961 1.704 44 HB3 LEU 7 HB1 LEU 6 23.475 3.368 3.359 45 HG LEU 7 HG LEU 6 25.073 4.194 0.935 46 HD11 LEU 7 HD11 LEU 6 22.837 5.462 2.415 47 HD12 LEU 7 HD12 LEU 6 23.264 5.550 0.705 48 HD13 LEU 7 HD13 LEU 6 24.167 6.495 1.889 49 HD21 LEU 7 HD21 LEU 6 26.457 3.985 2.917 50 HD22 LEU 7 HD22 LEU 6 25.311 4.950 3.846 51 HD23 LEU 7 HD23 LEU 6 26.215 5.688 2.525 52 H ALA 8 HN ALA 7 22.949 0.269 1.679 53 HA ALA 8 HA ALA 7 21.758 -0.495 4.102 54 HB1 ALA 8 HB1 ALA 7 20.494 -2.007 2.865 55 HB2 ALA 8 HB2 ALA 7 21.785 -2.278 1.694 56 HB3 ALA 8 HB3 ALA 7 20.896 -0.756 1.690 57 H ASP 9 HN ASP 8 24.500 -1.841 2.334 58 HA ASP 9 HA ASP 8 24.681 -4.230 3.890 59 HB2 ASP 9 HB2 ASP 8 26.905 -2.948 2.290 60 HB3 ASP 9 HB1 ASP 8 26.761 -4.637 2.760 61 H DAL 10 HN DAL 9 25.521 -0.980 4.526 62 HA DAL 10 HA DAL 9 27.365 -1.803 6.670 63 HB1 DAL 10 HB1 DAL 9 24.893 -1.165 7.268 64 HB2 DAL 10 HB2 DAL 9 25.503 0.482 7.100 65 HB3 DAL 10 HB3 DAL 9 26.235 -0.615 8.271 66 H GLY 11 HN GLY 10 27.541 -0.377 3.874 67 HA2 GLY 11 HA2 GLY 10 28.728 1.349 2.931 68 HA3 GLY 11 HA1 GLY 10 28.471 2.255 4.415 69 HA PRO 12 HA PRO 11 32.972 1.799 4.516 70 HB2 PRO 12 HB2 PRO 11 32.675 3.442 6.955 71 HB3 PRO 12 HB1 PRO 11 33.638 3.742 5.507 72 HG2 PRO 12 HG2 PRO 11 31.414 5.142 6.017 73 HG3 PRO 12 HG1 PRO 11 31.870 4.693 4.364 74 HD2 PRO 12 HD2 PRO 11 29.819 3.463 6.165 75 HD3 PRO 12 HD1 PRO 11 29.738 3.792 4.422 76 H ALA 13 HN ALA 12 30.678 1.160 7.103 77 HA ALA 13 HA ALA 12 32.514 0.005 8.933 78 HB1 ALA 13 HB1 ALA 12 30.201 0.895 9.450 79 HB2 ALA 13 HB2 ALA 12 30.642 -0.635 10.209 80 HB3 ALA 13 HB3 ALA 12 29.577 -0.624 8.804 81 H SER 14 HN SER 13 30.573 -1.340 6.294 82 HA SER 14 HA SER 13 31.003 -4.067 6.953 83 HB2 SER 14 HB2 SER 13 30.174 -4.561 4.715 84 HB3 SER 14 HB1 SER 13 29.185 -3.304 5.453 85 HG SER 14 HG SER 13 29.938 -1.865 4.059 86 H DAL 15 HN DAL 14 32.942 -1.702 5.283 87 HA DAL 15 HA DAL 14 35.119 -3.624 5.094 88 HB1 DAL 15 HB1 DAL 14 35.591 -1.440 6.061 89 HB2 DAL 15 HB2 DAL 14 35.075 -0.652 4.568 90 HB3 DAL 15 HB3 DAL 14 36.513 -1.674 4.575 91 H NVA 16 HN NVA 15 33.045 -1.701 2.999 92 HA NVA 16 HA NVA 15 34.288 -2.960 0.644 93 HB2 NVA 16 HB1 NVA 15 31.342 -2.520 1.180 94 HB3 NVA 16 HB2 NVA 15 32.172 -4.068 1.134 95 HG2 NVA 16 HG1 NVA 15 32.396 -2.419 -1.302 96 HG3 NVA 16 HG2 NVA 15 30.793 -3.060 -0.933 97 HD1 NVA 16 HD1 NVA 15 31.976 -4.597 -2.365 98 HD2 NVA 16 HD2 NVA 15 31.775 -5.317 -0.767 99 HD3 NVA 16 HD3 NVA 15 33.335 -4.646 -1.241 100 HA PRO 17 HA PRO 16 34.644 1.245 -0.746 101 HB2 PRO 17 HB2 PRO 16 35.238 0.770 -3.347 102 HB3 PRO 17 HB1 PRO 16 36.398 0.519 -2.038 103 HG2 PRO 17 HG2 PRO 16 34.692 -1.483 -3.468 104 HG3 PRO 17 HG1 PRO 16 36.395 -1.604 -2.988 105 HD2 PRO 17 HD2 PRO 16 34.386 -2.758 -1.579 106 HD3 PRO 17 HD1 PRO 16 35.873 -2.162 -0.817 107 HA PRO 18 HA PRO 17 30.429 2.001 -2.106 108 HB2 PRO 18 HB2 PRO 17 30.893 4.676 -2.703 109 HB3 PRO 18 HB1 PRO 17 30.414 4.051 -1.123 110 HG2 PRO 18 HG2 PRO 17 33.124 4.786 -2.134 111 HG3 PRO 18 HG1 PRO 17 32.420 5.027 -0.524 112 HD2 PRO 18 HD2 PRO 17 34.189 3.072 -0.993 113 HD3 PRO 18 HD1 PRO 17 32.821 2.832 0.117 114 HA PRO 19 HA PRO 18 31.058 1.655 -6.513 115 HB2 PRO 19 HB2 PRO 18 28.479 1.463 -7.255 116 HB3 PRO 19 HB1 PRO 18 29.313 0.149 -6.416 117 HG2 PRO 19 HG2 PRO 18 27.428 2.199 -5.324 118 HG3 PRO 19 HG1 PRO 18 27.523 0.464 -4.972 119 HD2 PRO 19 HD2 PRO 18 28.571 2.412 -3.355 120 HD3 PRO 19 HD1 PRO 18 29.188 0.750 -3.425 121 H SER 20 HN SER 19 31.182 3.042 -8.207 122 HA SER 20 HA SER 19 29.520 5.452 -8.220 123 HB2 SER 20 HB2 SER 19 32.542 5.479 -8.413 124 HB3 SER 20 HB1 SER 19 31.496 6.873 -8.682 125 HG SER 20 HG SER 19 30.916 6.846 -6.551 126 HN1 NH2 21 H2 SER 19 29.156 6.328 -10.254 127 HN2 NH2 21 H1 SER 19 29.619 5.530 -11.714 Start of MODEL 30 1 H1 ACE 1 HA2 ALA 1 19.403 1.436 -7.057 2 H2 ACE 1 HA3 ALA 1 20.323 2.940 -7.201 3 H3 ACE 1 HA1 ALA 1 19.536 2.526 -5.670 4 H ALA 2 HN ALA 1 22.336 2.201 -7.611 5 HA ALA 2 HA ALA 1 23.484 -0.085 -6.378 6 HB1 ALA 2 HB2 ALA 1 24.232 0.740 -8.557 7 HB2 ALA 2 HB3 ALA 1 25.573 0.628 -7.416 8 HB3 ALA 2 HB1 ALA 1 24.862 2.199 -7.790 9 H TYR 3 HN TYR 2 23.981 3.411 -5.852 10 HA TYR 3 HA TYR 2 25.827 3.135 -3.737 11 HB2 TYR 3 HB2 TYR 2 25.400 5.226 -5.086 12 HB3 TYR 3 HB1 TYR 2 23.927 5.449 -4.150 13 HD1 TYR 3 HD1 TYR 2 27.576 5.627 -4.106 14 HD2 TYR 3 HD2 TYR 2 24.033 6.053 -1.784 15 HE1 TYR 3 HE1 TYR 2 28.862 6.798 -2.369 16 HE2 TYR 3 HE2 TYR 2 25.313 7.230 -0.042 17 HH TYR 3 HH TYR 2 28.614 7.189 0.163 18 H ALA 4 HN ALA 3 22.294 3.430 -3.777 19 HA ALA 4 HA ALA 3 21.889 3.671 -1.010 20 HB1 ALA 4 HB1 ALA 3 19.600 2.944 -1.452 21 HB2 ALA 4 HB2 ALA 3 20.074 2.407 -3.064 22 HB3 ALA 4 HB3 ALA 3 20.138 4.121 -2.650 23 H GLN 5 HN GLN 4 22.235 0.822 -3.087 24 HA GLN 5 HA GLN 4 21.623 -1.119 -1.120 25 HB2 GLN 5 HB2 GLN 4 22.401 -1.104 -3.852 26 HB3 GLN 5 HB1 GLN 4 23.534 -2.143 -2.998 27 HG2 GLN 5 HG2 GLN 4 20.961 -2.796 -2.056 28 HG3 GLN 5 HG1 GLN 4 20.854 -2.679 -3.811 29 HE21 GLN 5 HE21 GLN 4 21.197 -4.839 -1.485 30 HE22 GLN 5 HE22 GLN 4 22.227 -5.995 -2.250 31 H TRP 6 HN TRP 5 24.613 0.493 -2.077 32 HA TRP 6 HA TRP 5 26.472 -1.045 -0.680 33 HB2 TRP 6 HB2 TRP 5 27.241 0.601 -2.244 34 HB3 TRP 6 HB1 TRP 5 26.433 1.896 -1.373 35 HD1 TRP 6 HD1 TRP 5 29.330 -0.618 -0.737 36 HE1 TRP 6 HE1 TRP 5 31.094 0.573 0.705 37 HE3 TRP 6 HE3 TRP 5 26.925 3.836 -0.016 38 HZ2 TRP 6 HZ2 TRP 5 31.429 3.064 1.979 39 HZ3 TRP 6 HZ3 TRP 5 28.040 5.571 1.325 40 HH2 TRP 6 HH2 TRP 5 30.245 5.190 2.302 41 H LEU 7 HN LEU 6 24.513 1.713 0.404 42 HA LEU 7 HA LEU 6 25.615 1.909 3.000 43 HB2 LEU 7 HB2 LEU 6 22.956 2.759 1.863 44 HB3 LEU 7 HB1 LEU 6 23.423 3.084 3.522 45 HG LEU 7 HG LEU 6 24.917 4.071 1.090 46 HD11 LEU 7 HD11 LEU 6 24.016 6.307 2.046 47 HD12 LEU 7 HD12 LEU 6 22.788 5.289 2.799 48 HD13 LEU 7 HD13 LEU 6 22.965 5.307 1.043 49 HD21 LEU 7 HD21 LEU 6 25.240 4.650 4.032 50 HD22 LEU 7 HD22 LEU 6 26.060 5.520 2.737 51 HD23 LEU 7 HD23 LEU 6 26.383 3.804 2.989 52 H ALA 8 HN ALA 7 22.949 0.015 1.666 53 HA ALA 8 HA ALA 7 21.798 -0.875 4.060 54 HB1 ALA 8 HB1 ALA 7 20.428 -1.419 2.345 55 HB2 ALA 8 HB2 ALA 7 21.289 -2.955 2.448 56 HB3 ALA 8 HB3 ALA 7 21.761 -1.759 1.242 57 H ASP 9 HN ASP 8 24.587 -2.081 2.257 58 HA ASP 9 HA ASP 8 24.869 -4.481 3.783 59 HB2 ASP 9 HB2 ASP 8 27.099 -3.152 2.249 60 HB3 ASP 9 HB1 ASP 8 26.876 -4.862 2.586 61 H DAL 10 HN DAL 9 25.597 -1.215 4.455 62 HA DAL 10 HA DAL 9 27.492 -1.996 6.571 63 HB1 DAL 10 HB1 DAL 9 25.116 -1.556 7.344 64 HB2 DAL 10 HB2 DAL 9 25.403 0.133 6.928 65 HB3 DAL 10 HB3 DAL 9 26.392 -0.653 8.158 66 H GLY 11 HN GLY 10 27.603 -0.539 3.787 67 HA2 GLY 11 HA2 GLY 10 28.762 1.205 2.850 68 HA3 GLY 11 HA1 GLY 10 28.423 2.119 4.310 69 HA PRO 12 HA PRO 11 32.933 1.884 4.556 70 HB2 PRO 12 HB2 PRO 11 32.485 3.535 6.964 71 HB3 PRO 12 HB1 PRO 11 33.470 3.870 5.536 72 HG2 PRO 12 HG2 PRO 11 31.163 5.158 5.977 73 HG3 PRO 12 HG1 PRO 11 31.686 4.720 4.340 74 HD2 PRO 12 HD2 PRO 11 29.654 3.400 6.098 75 HD3 PRO 12 HD1 PRO 11 29.603 3.710 4.351 76 H ALA 13 HN ALA 12 30.594 1.143 7.072 77 HA ALA 13 HA ALA 12 32.419 0.122 8.985 78 HB1 ALA 13 HB1 ALA 12 30.248 -1.097 9.782 79 HB2 ALA 13 HB2 ALA 12 29.467 -0.037 8.608 80 HB3 ALA 13 HB3 ALA 12 30.400 0.654 9.936 81 H SER 14 HN SER 13 30.575 -1.419 6.369 82 HA SER 14 HA SER 13 31.286 -4.078 7.066 83 HB2 SER 14 HB2 SER 13 30.512 -4.639 4.758 84 HB3 SER 14 HB1 SER 13 29.348 -3.696 5.683 85 HG SER 14 HG SER 13 30.940 -2.924 3.506 86 H DAL 15 HN DAL 14 32.943 -1.568 5.327 87 HA DAL 15 HA DAL 14 35.273 -3.285 5.066 88 HB1 DAL 15 HB1 DAL 14 36.459 -1.228 4.464 89 HB2 DAL 15 HB2 DAL 14 35.565 -1.045 5.973 90 HB3 DAL 15 HB3 DAL 14 34.932 -0.345 4.482 91 H NVA 16 HN NVA 15 33.029 -1.511 2.987 92 HA NVA 16 HA NVA 15 34.253 -2.804 0.639 93 HB2 NVA 16 HB1 NVA 15 31.315 -2.424 1.252 94 HB3 NVA 16 HB2 NVA 15 32.182 -3.949 1.175 95 HG2 NVA 16 HG1 NVA 15 32.169 -2.225 -1.249 96 HG3 NVA 16 HG2 NVA 15 30.697 -3.107 -0.828 97 HD1 NVA 16 HD1 NVA 15 31.706 -5.173 -1.104 98 HD2 NVA 16 HD2 NVA 15 33.333 -4.517 -0.916 99 HD3 NVA 16 HD3 NVA 15 32.425 -4.215 -2.398 100 HA PRO 17 HA PRO 16 34.533 1.364 -0.872 101 HB2 PRO 17 HB2 PRO 16 35.054 0.817 -3.481 102 HB3 PRO 17 HB1 PRO 16 36.256 0.627 -2.199 103 HG2 PRO 17 HG2 PRO 16 34.543 -1.446 -3.511 104 HG3 PRO 17 HG1 PRO 16 36.260 -1.525 -3.076 105 HD2 PRO 17 HD2 PRO 16 34.315 -2.667 -1.574 106 HD3 PRO 17 HD1 PRO 16 35.808 -2.012 -0.871 107 HA PRO 18 HA PRO 17 30.268 2.014 -2.141 108 HB2 PRO 18 HB2 PRO 17 30.637 4.704 -2.703 109 HB3 PRO 18 HB1 PRO 17 30.229 4.044 -1.117 110 HG2 PRO 18 HG2 PRO 17 32.889 4.856 -2.208 111 HG3 PRO 18 HG1 PRO 17 32.225 5.087 -0.579 112 HD2 PRO 18 HD2 PRO 17 34.021 3.171 -1.085 113 HD3 PRO 18 HD1 PRO 17 32.684 2.897 0.051 114 HA PRO 19 HA PRO 18 30.473 1.485 -6.544 115 HB2 PRO 19 HB2 PRO 18 27.890 2.968 -6.513 116 HB3 PRO 19 HB1 PRO 18 28.282 1.403 -7.234 117 HG2 PRO 19 HG2 PRO 18 26.876 1.549 -4.977 118 HG3 PRO 19 HG1 PRO 18 28.088 0.277 -5.219 119 HD2 PRO 19 HD2 PRO 18 28.245 2.755 -3.563 120 HD3 PRO 19 HD1 PRO 18 28.916 1.143 -3.251 121 H SER 20 HN SER 19 31.724 2.687 -7.822 122 HA SER 20 HA SER 19 30.999 5.444 -8.398 123 HB2 SER 20 HB2 SER 19 33.355 6.222 -8.018 124 HB3 SER 20 HB1 SER 19 32.501 5.776 -6.541 125 HG SER 20 HG SER 19 34.804 4.912 -7.202 126 HN1 NH2 21 H2 SER 19 31.793 6.200 -10.370 127 HN2 NH2 21 H1 SER 19 32.545 5.159 -11.526 Start of MODEL 31 1 H1 ACE 1 HA2 ALA 1 19.818 1.379 -6.596 2 H2 ACE 1 HA3 ALA 1 20.821 2.311 -7.714 3 H3 ACE 1 HA1 ALA 1 20.463 2.950 -6.103 4 H ALA 2 HN ALA 1 22.976 2.034 -7.684 5 HA ALA 2 HA ALA 1 24.105 -0.151 -6.304 6 HB1 ALA 2 HB2 ALA 1 24.963 0.680 -8.450 7 HB2 ALA 2 HB3 ALA 1 26.231 0.575 -7.229 8 HB3 ALA 2 HB1 ALA 1 25.536 2.141 -7.646 9 H TYR 3 HN TYR 2 24.471 3.362 -5.798 10 HA TYR 3 HA TYR 2 26.181 3.143 -3.553 11 HB2 TYR 3 HB2 TYR 2 25.862 5.192 -4.993 12 HB3 TYR 3 HB1 TYR 2 24.324 5.445 -4.176 13 HD1 TYR 3 HD1 TYR 2 27.955 5.646 -3.884 14 HD2 TYR 3 HD2 TYR 2 24.263 6.099 -1.813 15 HE1 TYR 3 HE1 TYR 2 29.113 6.880 -2.100 16 HE2 TYR 3 HE2 TYR 2 25.417 7.335 -0.024 17 HH TYR 3 HH TYR 2 27.832 7.441 0.888 18 H ALA 4 HN ALA 3 22.662 3.420 -3.877 19 HA ALA 4 HA ALA 3 22.051 3.750 -1.155 20 HB1 ALA 4 HB1 ALA 3 20.422 2.528 -3.378 21 HB2 ALA 4 HB2 ALA 3 20.396 4.206 -2.832 22 HB3 ALA 4 HB3 ALA 3 19.793 2.926 -1.778 23 H GLN 5 HN GLN 4 22.442 0.828 -3.131 24 HA GLN 5 HA GLN 4 21.706 -1.025 -1.121 25 HB2 GLN 5 HB2 GLN 4 22.913 -1.129 -3.797 26 HB3 GLN 5 HB1 GLN 4 23.457 -2.412 -2.725 27 HG2 GLN 5 HG2 GLN 4 21.631 -3.354 -3.767 28 HG3 GLN 5 HG1 GLN 4 20.951 -2.773 -2.249 29 HE21 GLN 5 HE21 GLN 4 19.760 -0.768 -2.288 30 HE22 GLN 5 HE22 GLN 4 18.948 -0.282 -3.732 31 H TRP 6 HN TRP 5 24.772 0.453 -2.048 32 HA TRP 6 HA TRP 5 26.546 -1.079 -0.547 33 HB2 TRP 6 HB2 TRP 5 27.415 0.497 -2.122 34 HB3 TRP 6 HB1 TRP 5 26.594 1.838 -1.336 35 HD1 TRP 6 HD1 TRP 5 29.436 -0.682 -0.518 36 HE1 TRP 6 HE1 TRP 5 31.157 0.526 0.961 37 HE3 TRP 6 HE3 TRP 5 27.044 3.805 0.008 38 HZ2 TRP 6 HZ2 TRP 5 31.463 3.048 2.190 39 HZ3 TRP 6 HZ3 TRP 5 28.121 5.563 1.352 40 HH2 TRP 6 HH2 TRP 5 30.285 5.190 2.420 41 H LEU 7 HN LEU 6 24.604 1.734 0.404 42 HA LEU 7 HA LEU 6 25.628 1.991 3.027 43 HB2 LEU 7 HB2 LEU 6 23.015 2.834 1.784 44 HB3 LEU 7 HB1 LEU 6 23.432 3.199 3.447 45 HG LEU 7 HG LEU 6 25.004 4.112 1.037 46 HD11 LEU 7 HD11 LEU 6 23.185 5.460 0.856 47 HD12 LEU 7 HD12 LEU 6 24.074 6.371 2.076 48 HD13 LEU 7 HD13 LEU 6 22.758 5.303 2.559 49 HD21 LEU 7 HD21 LEU 6 26.405 3.863 3.000 50 HD22 LEU 7 HD22 LEU 6 25.254 4.785 3.967 51 HD23 LEU 7 HD23 LEU 6 26.139 5.574 2.662 52 H ALA 8 HN ALA 7 22.974 0.101 1.660 53 HA ALA 8 HA ALA 7 21.748 -0.724 4.040 54 HB1 ALA 8 HB1 ALA 7 20.564 -2.261 2.761 55 HB2 ALA 8 HB2 ALA 7 21.897 -2.497 1.631 56 HB3 ALA 8 HB3 ALA 7 20.968 -0.998 1.599 57 H ASP 9 HN ASP 8 24.552 -2.011 2.321 58 HA ASP 9 HA ASP 8 24.765 -4.385 3.899 59 HB2 ASP 9 HB2 ASP 8 27.020 -3.105 2.354 60 HB3 ASP 9 HB1 ASP 8 26.807 -4.805 2.756 61 H DAL 10 HN DAL 9 25.527 -1.123 4.527 62 HA DAL 10 HA DAL 9 27.389 -1.895 6.674 63 HB1 DAL 10 HB1 DAL 9 26.152 -0.909 8.269 64 HB2 DAL 10 HB2 DAL 9 24.830 -1.133 7.124 65 HB3 DAL 10 HB3 DAL 9 25.662 0.419 7.217 66 H GLY 11 HN GLY 10 27.481 -0.446 3.856 67 HA2 GLY 11 HA2 GLY 10 28.665 1.267 2.899 68 HA3 GLY 11 HA1 GLY 10 28.402 2.183 4.374 69 HA PRO 12 HA PRO 11 32.904 1.804 4.521 70 HB2 PRO 12 HB2 PRO 11 32.546 3.326 7.031 71 HB3 PRO 12 HB1 PRO 11 33.522 3.711 5.610 72 HG2 PRO 12 HG2 PRO 11 31.265 5.045 6.153 73 HG3 PRO 12 HG1 PRO 11 31.748 4.676 4.487 74 HD2 PRO 12 HD2 PRO 11 29.700 3.333 6.209 75 HD3 PRO 12 HD1 PRO 11 29.635 3.733 4.480 76 H ALA 13 HN ALA 12 30.596 0.998 7.045 77 HA ALA 13 HA ALA 12 32.429 -0.206 8.845 78 HB1 ALA 13 HB1 ALA 12 29.525 -0.943 8.658 79 HB2 ALA 13 HB2 ALA 12 30.054 0.603 9.322 80 HB3 ALA 13 HB3 ALA 12 30.569 -0.904 10.079 81 H SER 14 HN SER 13 30.559 -1.458 6.113 82 HA SER 14 HA SER 13 31.089 -4.200 6.652 83 HB2 SER 14 HB2 SER 13 30.296 -4.593 4.341 84 HB3 SER 14 HB1 SER 13 29.201 -3.558 5.255 85 HG SER 14 HG SER 13 30.171 -3.022 2.940 86 H DAL 15 HN DAL 14 32.902 -1.677 5.075 87 HA DAL 15 HA DAL 14 35.072 -3.600 4.597 88 HB1 DAL 15 HB1 DAL 14 35.245 -0.593 4.738 89 HB2 DAL 15 HB2 DAL 14 36.584 -1.740 4.725 90 HB3 DAL 15 HB3 DAL 14 35.492 -1.675 6.109 91 H NVA 16 HN NVA 15 32.820 -3.242 2.716 92 HA NVA 16 HA NVA 15 34.267 -3.186 0.301 93 HB2 NVA 16 HB1 NVA 15 31.298 -2.999 0.837 94 HB3 NVA 16 HB2 NVA 15 32.217 -4.455 0.488 95 HG2 NVA 16 HG1 NVA 15 32.759 -3.401 -1.758 96 HG3 NVA 16 HG2 NVA 15 31.506 -2.214 -1.377 97 HD1 NVA 16 HD1 NVA 15 29.851 -3.957 -1.208 98 HD2 NVA 16 HD2 NVA 15 31.086 -5.196 -1.443 99 HD3 NVA 16 HD3 NVA 15 30.684 -4.091 -2.757 100 HA PRO 17 HA PRO 16 34.435 1.206 -0.379 101 HB2 PRO 17 HB2 PRO 16 35.238 1.181 -2.966 102 HB3 PRO 17 HB1 PRO 16 36.321 0.783 -1.628 103 HG2 PRO 17 HG2 PRO 16 34.849 -1.046 -3.483 104 HG3 PRO 17 HG1 PRO 16 36.517 -1.157 -2.891 105 HD2 PRO 17 HD2 PRO 16 34.475 -2.618 -1.850 106 HD3 PRO 17 HD1 PRO 16 35.877 -2.101 -0.895 107 HA PRO 18 HA PRO 17 30.371 2.112 -1.977 108 HB2 PRO 18 HB2 PRO 17 30.857 4.792 -2.504 109 HB3 PRO 18 HB1 PRO 17 30.353 4.137 -0.944 110 HG2 PRO 18 HG2 PRO 17 33.086 4.870 -1.901 111 HG3 PRO 18 HG1 PRO 17 32.355 5.105 -0.303 112 HD2 PRO 18 HD2 PRO 17 34.112 3.137 -0.752 113 HD3 PRO 18 HD1 PRO 17 32.720 2.898 0.326 114 HA PRO 19 HA PRO 18 31.142 1.838 -6.368 115 HB2 PRO 19 HB2 PRO 18 28.584 1.662 -7.187 116 HB3 PRO 19 HB1 PRO 18 29.394 0.329 -6.354 117 HG2 PRO 19 HG2 PRO 18 27.482 2.358 -5.269 118 HG3 PRO 19 HG1 PRO 18 27.561 0.615 -4.957 119 HD2 PRO 19 HD2 PRO 18 28.568 2.511 -3.259 120 HD3 PRO 19 HD1 PRO 18 29.191 0.855 -3.364 121 H SER 20 HN SER 19 31.363 3.293 -7.987 122 HA SER 20 HA SER 19 29.692 5.704 -7.975 123 HB2 SER 20 HB2 SER 19 32.713 5.737 -8.194 124 HB3 SER 20 HB1 SER 19 31.652 7.140 -8.326 125 HG SER 20 HG SER 19 31.125 6.934 -6.186 126 HN1 NH2 21 H2 SER 19 29.015 6.285 -9.948 127 HN2 NH2 21 H1 SER 19 29.622 5.662 -11.441 Start of MODEL 32 1 H1 ACE 1 HA2 ALA 1 20.058 2.102 -7.130 2 H2 ACE 1 HA3 ALA 1 19.472 0.608 -7.855 3 H3 ACE 1 HA1 ALA 1 20.152 1.899 -8.877 4 H ALA 2 HN ALA 1 22.005 2.068 -6.275 5 HA ALA 2 HA ALA 1 23.675 -0.231 -6.469 6 HB1 ALA 2 HB2 ALA 1 25.639 1.375 -7.325 7 HB2 ALA 2 HB3 ALA 1 24.283 2.097 -8.191 8 HB3 ALA 2 HB1 ALA 1 24.661 0.389 -8.412 9 H TYR 3 HN TYR 2 24.147 3.283 -5.953 10 HA TYR 3 HA TYR 2 25.874 3.007 -3.761 11 HB2 TYR 3 HB2 TYR 2 25.568 5.077 -5.147 12 HB3 TYR 3 HB1 TYR 2 24.048 5.353 -4.302 13 HD1 TYR 3 HD1 TYR 2 27.683 5.502 -4.078 14 HD2 TYR 3 HD2 TYR 2 24.043 5.960 -1.921 15 HE1 TYR 3 HE1 TYR 2 28.894 6.687 -2.295 16 HE2 TYR 3 HE2 TYR 2 25.246 7.147 -0.135 17 HH TYR 3 HH TYR 2 27.780 8.598 -0.268 18 H ALA 4 HN ALA 3 22.352 3.368 -3.906 19 HA ALA 4 HA ALA 3 21.855 3.719 -1.176 20 HB1 ALA 4 HB1 ALA 3 19.595 3.146 -1.637 21 HB2 ALA 4 HB2 ALA 3 20.051 2.241 -3.081 22 HB3 ALA 4 HB3 ALA 3 20.212 3.997 -3.053 23 H GLN 5 HN GLN 4 22.261 0.757 -3.084 24 HA GLN 5 HA GLN 4 21.593 -1.055 -1.007 25 HB2 GLN 5 HB2 GLN 4 22.045 -1.317 -3.674 26 HB3 GLN 5 HB1 GLN 4 23.549 -1.961 -3.029 27 HG2 GLN 5 HG2 GLN 4 22.089 -3.791 -3.319 28 HG3 GLN 5 HG1 GLN 4 22.170 -3.477 -1.586 29 HE21 GLN 5 HE21 GLN 4 20.352 -2.810 -0.504 30 HE22 GLN 5 HE22 GLN 4 18.786 -2.751 -1.230 31 H TRP 6 HN TRP 5 24.619 0.446 -2.033 32 HA TRP 6 HA TRP 5 26.448 -1.049 -0.568 33 HB2 TRP 6 HB2 TRP 5 27.248 0.539 -2.167 34 HB3 TRP 6 HB1 TRP 5 26.442 1.870 -1.348 35 HD1 TRP 6 HD1 TRP 5 29.315 -0.643 -0.620 36 HE1 TRP 6 HE1 TRP 5 31.075 0.569 0.811 37 HE3 TRP 6 HE3 TRP 5 26.932 3.841 -0.021 38 HZ2 TRP 6 HZ2 TRP 5 31.412 3.085 2.032 39 HZ3 TRP 6 HZ3 TRP 5 28.046 5.599 1.292 40 HH2 TRP 6 HH2 TRP 5 30.240 5.227 2.295 41 H LEU 7 HN LEU 6 24.504 1.751 0.434 42 HA LEU 7 HA LEU 6 25.595 2.002 3.030 43 HB2 LEU 7 HB2 LEU 6 22.960 2.852 1.844 44 HB3 LEU 7 HB1 LEU 6 23.390 3.192 3.509 45 HG LEU 7 HG LEU 6 24.910 4.160 1.086 46 HD11 LEU 7 HD11 LEU 6 22.767 5.349 2.772 47 HD12 LEU 7 HD12 LEU 6 23.040 5.476 1.035 48 HD13 LEU 7 HD13 LEU 6 24.044 6.396 2.155 49 HD21 LEU 7 HD21 LEU 6 26.390 3.857 2.971 50 HD22 LEU 7 HD22 LEU 6 25.271 4.714 4.029 51 HD23 LEU 7 HD23 LEU 6 26.094 5.578 2.730 52 H ALA 8 HN ALA 7 22.897 0.124 1.734 53 HA ALA 8 HA ALA 7 21.759 -0.722 4.152 54 HB1 ALA 8 HB1 ALA 7 20.335 -1.307 2.517 55 HB2 ALA 8 HB2 ALA 7 21.246 -2.816 2.509 56 HB3 ALA 8 HB3 ALA 7 21.624 -1.554 1.338 57 H ASP 9 HN ASP 8 24.513 -1.969 2.333 58 HA ASP 9 HA ASP 8 24.771 -4.377 3.854 59 HB2 ASP 9 HB2 ASP 8 26.981 -3.058 2.274 60 HB3 ASP 9 HB1 ASP 8 26.792 -4.764 2.657 61 H DAL 10 HN DAL 9 25.549 -1.120 4.521 62 HA DAL 10 HA DAL 9 27.457 -1.927 6.616 63 HB1 DAL 10 HB1 DAL 9 24.871 -1.094 7.067 64 HB2 DAL 10 HB2 DAL 9 25.824 0.367 7.333 65 HB3 DAL 10 HB3 DAL 9 26.182 -1.099 8.245 66 H GLY 11 HN GLY 10 27.539 -0.461 3.834 67 HA2 GLY 11 HA2 GLY 10 28.693 1.281 2.885 68 HA3 GLY 11 HA1 GLY 10 28.407 2.186 4.362 69 HA PRO 12 HA PRO 11 32.921 1.879 4.475 70 HB2 PRO 12 HB2 PRO 11 32.560 3.525 6.903 71 HB3 PRO 12 HB1 PRO 11 33.517 3.850 5.454 72 HG2 PRO 12 HG2 PRO 11 31.244 5.176 5.953 73 HG3 PRO 12 HG1 PRO 11 31.720 4.735 4.303 74 HD2 PRO 12 HD2 PRO 11 29.707 3.445 6.104 75 HD3 PRO 12 HD1 PRO 11 29.620 3.762 4.359 76 H ALA 13 HN ALA 12 30.638 1.174 7.054 77 HA ALA 13 HA ALA 12 32.501 0.100 8.903 78 HB1 ALA 13 HB1 ALA 12 29.560 -0.529 8.701 79 HB2 ALA 13 HB2 ALA 12 30.230 0.891 9.504 80 HB3 ALA 13 HB3 ALA 12 30.599 -0.722 10.113 81 H SER 14 HN SER 13 30.637 -1.342 6.259 82 HA SER 14 HA SER 13 31.219 -4.042 6.946 83 HB2 SER 14 HB2 SER 13 30.412 -4.584 4.681 84 HB3 SER 14 HB1 SER 13 29.316 -3.483 5.511 85 HG SER 14 HG SER 13 30.992 -3.026 3.326 86 H DAL 15 HN DAL 14 32.986 -1.579 5.239 87 HA DAL 15 HA DAL 14 35.266 -3.364 5.014 88 HB1 DAL 15 HB1 DAL 14 35.005 -0.413 4.440 89 HB2 DAL 15 HB2 DAL 14 36.510 -1.333 4.396 90 HB3 DAL 15 HB3 DAL 14 35.635 -1.144 5.917 91 H NVA 16 HN NVA 15 33.083 -1.558 2.905 92 HA NVA 16 HA NVA 15 34.321 -2.859 0.570 93 HB2 NVA 16 HB1 NVA 15 31.377 -2.467 1.144 94 HB3 NVA 16 HB2 NVA 15 32.238 -3.997 1.098 95 HG2 NVA 16 HG1 NVA 15 32.754 -2.954 -1.385 96 HG3 NVA 16 HG2 NVA 15 31.098 -2.429 -1.073 97 HD1 NVA 16 HD1 NVA 15 31.548 -5.197 -0.322 98 HD2 NVA 16 HD2 NVA 15 31.876 -4.894 -2.027 99 HD3 NVA 16 HD3 NVA 15 30.299 -4.490 -1.348 100 HA PRO 17 HA PRO 16 34.635 1.320 -0.913 101 HB2 PRO 17 HB2 PRO 16 35.121 0.776 -3.539 102 HB3 PRO 17 HB1 PRO 16 36.342 0.623 -2.271 103 HG2 PRO 17 HG2 PRO 16 34.663 -1.495 -3.553 104 HG3 PRO 17 HG1 PRO 16 36.383 -1.536 -3.121 105 HD2 PRO 17 HD2 PRO 16 34.476 -2.712 -1.608 106 HD3 PRO 17 HD1 PRO 16 35.945 -2.004 -0.906 107 HA PRO 18 HA PRO 17 30.341 1.974 -2.087 108 HB2 PRO 18 HB2 PRO 17 30.731 4.667 -2.660 109 HB3 PRO 18 HB1 PRO 17 30.312 4.008 -1.078 110 HG2 PRO 18 HG2 PRO 17 32.984 4.794 -2.159 111 HG3 PRO 18 HG1 PRO 17 32.320 5.024 -0.531 112 HD2 PRO 18 HD2 PRO 17 34.096 3.095 -1.028 113 HD3 PRO 18 HD1 PRO 17 32.735 2.814 0.080 114 HA PRO 19 HA PRO 18 30.418 1.451 -6.490 115 HB2 PRO 19 HB2 PRO 18 27.876 3.006 -6.386 116 HB3 PRO 19 HB1 PRO 18 28.207 1.436 -7.128 117 HG2 PRO 19 HG2 PRO 18 26.866 1.602 -4.832 118 HG3 PRO 19 HG1 PRO 18 28.037 0.300 -5.114 119 HD2 PRO 19 HD2 PRO 18 28.300 2.757 -3.442 120 HD3 PRO 19 HD1 PRO 18 28.947 1.128 -3.168 121 H SER 20 HN SER 19 31.790 2.641 -7.659 122 HA SER 20 HA SER 19 31.213 5.507 -8.013 123 HB2 SER 20 HB2 SER 19 33.794 5.686 -8.327 124 HB3 SER 20 HB1 SER 19 33.138 5.604 -6.693 125 HG SER 20 HG SER 19 34.753 3.843 -8.019 126 HN1 NH2 21 H2 SER 19 33.164 2.862 -9.405 127 HN2 NH2 21 H1 SER 19 32.810 3.244 -11.052
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