NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570630 | 2m7c | 19180 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H1 ARG 1 32.611 7.521 1.297 2 H2 ARG 1 H2 ARG 1 32.408 8.434 2.472 3 H3 ARG 1 H3 ARG 1 32.746 6.989 2.693 4 HA ARG 1 HA ARG 1 30.108 8.047 2.552 5 HB2 ARG 1 HB2 ARG 1 29.171 6.538 0.793 6 HB3 ARG 1 HB3 ARG 1 30.197 7.867 0.206 7 HG2 ARG 1 HG2 ARG 1 31.876 6.453 -0.498 8 HG3 ARG 1 HG3 ARG 1 31.476 5.207 0.709 9 HD2 ARG 1 HD2 ARG 1 30.076 4.143 -0.700 10 HD3 ARG 1 HD3 ARG 1 29.319 5.664 -1.228 11 HE ARG 1 HE ARG 1 31.447 4.224 -2.535 12 HH11 ARG 1 HH11 ARG 1 29.891 7.338 -2.153 13 HH12 ARG 1 HH12 ARG 1 30.442 7.938 -3.706 14 HH21 ARG 1 HH21 ARG 1 32.161 5.000 -4.556 15 HH22 ARG 1 HH22 ARG 1 31.721 6.620 -5.059 16 HA PRO 2 HA PRO 2 29.988 4.698 5.533 17 HB2 PRO 2 HB2 PRO 2 27.079 5.337 5.707 18 HB3 PRO 2 HB3 PRO 2 28.303 5.363 6.984 19 HG2 PRO 2 HG2 PRO 2 27.284 7.642 5.941 20 HG3 PRO 2 HG3 PRO 2 28.957 7.548 6.505 21 HD2 PRO 2 HD2 PRO 2 27.902 7.518 3.668 22 HD3 PRO 2 HD3 PRO 2 29.385 8.244 4.301 23 HA PRO 3 HA PRO 3 28.464 1.072 3.532 24 HB2 PRO 3 HB2 PRO 3 26.918 -0.089 5.593 25 HB3 PRO 3 HB3 PRO 3 28.655 -0.327 5.358 26 HG2 PRO 3 HG2 PRO 3 27.220 1.539 7.230 27 HG3 PRO 3 HG3 PRO 3 28.732 0.653 7.465 28 HD2 PRO 3 HD2 PRO 3 28.741 3.317 6.930 29 HD3 PRO 3 HD3 PRO 3 30.014 2.266 6.299 30 HA PRO 4 HA PRO 4 24.332 2.448 2.373 31 HB2 PRO 4 HB2 PRO 4 24.326 1.434 -0.143 32 HB3 PRO 4 HB3 PRO 4 25.271 2.873 0.265 33 HG2 PRO 4 HG2 PRO 4 26.194 0.003 -0.029 34 HG3 PRO 4 HG3 PRO 4 26.981 1.490 -0.576 35 HD2 PRO 4 HD2 PRO 4 27.691 0.139 1.756 36 HD3 PRO 4 HD3 PRO 4 27.987 1.864 1.504 37 H SER 5 H SER 5 22.387 1.492 2.580 38 HA SER 5 HA SER 5 22.049 -1.107 3.501 39 HB2 SER 5 HB2 SER 5 19.658 -0.791 3.148 40 HB3 SER 5 HB3 SER 5 20.390 0.689 3.810 41 HG SER 5 HG SER 5 19.362 1.550 2.149 42 H ASP 6 H ASP 6 21.404 0.131 0.210 43 HA ASP 6 HA ASP 6 20.421 -2.118 -0.994 44 HB2 ASP 6 HB2 ASP 6 22.288 -0.009 -2.215 45 HB3 ASP 6 HB3 ASP 6 21.508 -1.396 -3.017 46 H AIB 7 H AIB 7 21.176 -4.009 -1.793 47 HB11 AIB 7 HB11 AIB 7 24.498 -6.115 -0.461 48 HB12 AIB 7 HB12 AIB 7 24.354 -4.415 0.042 49 HB13 AIB 7 HB13 AIB 7 23.069 -5.577 0.450 50 HB21 AIB 7 HB21 AIB 7 21.853 -6.665 -1.271 51 HB22 AIB 7 HB22 AIB 7 22.720 -6.755 -2.749 52 HB23 AIB 7 HB23 AIB 7 21.337 -5.749 -2.625 53 H ALA 8 H ALA 8 22.895 -3.844 -3.953 54 HA ALA 8 HA ALA 8 25.237 -4.755 -5.175 55 HB1 ALA 8 HB1 ALA 8 24.880 -2.974 -6.836 56 HB2 ALA 8 HB2 ALA 8 23.659 -2.244 -5.767 57 HB3 ALA 8 HB3 ALA 8 23.381 -3.858 -6.462 58 H ALA 9 H ALA 9 24.609 -1.570 -3.673 59 HA ALA 9 HA ALA 9 27.202 -0.581 -4.258 60 HB1 ALA 9 HB1 ALA 9 26.608 1.310 -2.804 61 HB2 ALA 9 HB2 ALA 9 25.158 0.426 -2.274 62 HB3 ALA 9 HB3 ALA 9 25.321 0.930 -3.972 63 H TYR 10 H TYR 10 25.861 -2.349 -1.544 64 HA TYR 10 HA TYR 10 27.773 -1.729 0.402 65 HB2 TYR 10 HB2 TYR 10 25.572 -2.977 0.667 66 HB3 TYR 10 HB3 TYR 10 26.464 -4.419 0.126 67 HD1 TYR 10 HD1 TYR 10 26.650 -1.690 2.695 68 HD2 TYR 10 HD2 TYR 10 27.552 -5.735 1.739 69 HE1 TYR 10 HE1 TYR 10 27.467 -2.044 4.986 70 HE2 TYR 10 HE2 TYR 10 28.368 -6.101 4.030 71 HH TYR 10 HH TYR 10 29.333 -3.990 5.994 72 H ALA 11 H ALA 11 27.860 -3.984 -2.288 73 HA ALA 11 HA ALA 11 30.130 -5.464 -1.425 74 HB1 ALA 11 HB1 ALA 11 30.201 -6.315 -3.734 75 HB2 ALA 11 HB2 ALA 11 28.976 -5.114 -4.200 76 HB3 ALA 11 HB3 ALA 11 28.565 -6.398 -3.040 77 H GLN 12 H GLN 12 29.735 -2.881 -3.873 78 HA GLN 12 HA GLN 12 32.463 -2.608 -4.492 79 HB2 GLN 12 HB2 GLN 12 30.288 -1.628 -5.586 80 HB3 GLN 12 HB3 GLN 12 30.644 -0.246 -4.522 81 HG2 GLN 12 HG2 GLN 12 31.896 0.285 -6.736 82 HG3 GLN 12 HG3 GLN 12 32.826 -0.272 -5.325 83 HE21 GLN 12 HE22 GLN 12 34.541 -1.302 -6.179 84 HE22 GLN 12 HE21 GLN 12 34.455 -2.586 -7.340 85 H TRP 13 H TRP 13 30.480 -1.242 -1.943 86 HA TRP 13 HA TRP 13 32.169 0.766 -0.985 87 HB2 TRP 13 HB2 TRP 13 29.847 0.523 -0.200 88 HB3 TRP 13 HB3 TRP 13 30.249 -1.039 0.550 89 HD1 TRP 13 HD1 TRP 13 31.080 2.719 0.958 90 HE1 TRP 13 HE1 TRP 13 31.583 3.124 3.446 91 HE3 TRP 13 HE3 TRP 13 30.849 -2.100 2.626 92 HZ2 TRP 13 HZ2 TRP 13 31.851 1.603 5.808 93 HZ3 TRP 13 HZ3 TRP 13 31.244 -2.546 5.016 94 HH2 TRP 13 HH2 TRP 13 31.735 -0.729 6.572 95 H LEU 14 H LEU 14 31.977 -2.682 -0.121 96 HA LEU 14 HA LEU 14 34.038 -2.704 1.799 97 HB2 LEU 14 HB2 LEU 14 32.987 -4.708 -0.071 98 HB3 LEU 14 HB3 LEU 14 34.156 -5.235 1.160 99 HG LEU 14 HG LEU 14 31.389 -4.088 1.708 100 HD11 LEU 14 HD11 LEU 14 30.831 -6.338 2.500 101 HD12 LEU 14 HD12 LEU 14 31.277 -6.337 0.777 102 HD13 LEU 14 HD13 LEU 14 32.440 -6.905 1.999 103 HD21 LEU 14 HD21 LEU 14 31.821 -4.688 4.048 104 HD22 LEU 14 HD22 LEU 14 33.468 -5.202 3.607 105 HD23 LEU 14 HD23 LEU 14 33.000 -3.493 3.457 106 H ALA 15 H ALA 15 34.046 -3.200 -1.703 107 HA ALA 15 HA ALA 15 36.712 -3.986 -2.028 108 HB1 ALA 15 HB1 ALA 15 36.437 -3.303 -4.378 109 HB2 ALA 15 HB2 ALA 15 34.915 -2.490 -3.946 110 HB3 ALA 15 HB3 ALA 15 35.058 -4.257 -3.785 111 H ASP 16 H ASP 16 35.304 -0.792 -1.619 112 HA ASP 16 HA ASP 16 37.798 0.534 -2.318 113 HB2 ASP 16 HB2 ASP 16 35.111 1.347 -2.524 114 HB3 ASP 16 HB3 ASP 16 35.763 2.054 -1.024 115 H DAL 17 H DAL 17 37.343 -1.224 0.199 116 HA DAL 17 HA DAL 17 38.862 0.483 1.969 117 HB1 DAL 17 HB1 DAL 17 39.100 -1.533 3.358 118 HB2 DAL 17 HB2 DAL 17 39.567 -1.818 1.666 119 HB3 DAL 17 HB3 DAL 17 37.995 -2.398 2.264 120 H GLY 18 H GLY 18 35.558 -0.278 1.567 121 HA2 GLY 18 HA2 GLY 18 33.678 0.219 2.788 122 HA3 GLY 18 HA3 GLY 18 34.602 -0.329 4.205 123 H TRP 19 H TRP 19 35.222 1.133 5.681 124 HA TRP 19 HA TRP 19 34.190 3.775 5.554 125 HB2 TRP 19 HB2 TRP 19 35.989 2.335 7.516 126 HB3 TRP 19 HB3 TRP 19 35.597 4.061 7.706 127 HD1 TRP 19 HD1 TRP 19 34.396 0.747 8.690 128 HE1 TRP 19 HE1 TRP 19 32.001 0.884 9.621 129 HE3 TRP 19 HE3 TRP 19 33.179 5.454 7.105 130 HZ2 TRP 19 HZ2 TRP 19 29.875 2.744 9.675 131 HZ3 TRP 19 HZ3 TRP 19 30.946 6.337 7.638 132 HH2 TRP 19 HH2 TRP 19 29.329 5.009 8.895 133 H ALA 20 H ALA 20 37.325 2.373 4.854 134 HA ALA 20 HA ALA 20 38.815 4.789 4.843 135 HB1 ALA 20 HB1 ALA 20 40.517 3.502 3.611 136 HB2 ALA 20 HB2 ALA 20 39.351 2.173 3.418 137 HB3 ALA 20 HB3 ALA 20 39.918 2.630 5.042 138 H SER 21 H SER 21 36.493 3.525 2.664 139 HA SER 21 HA SER 21 37.381 4.403 0.182 140 HB2 SER 21 HB2 SER 21 35.375 3.006 0.500 141 HB3 SER 21 HB3 SER 21 34.532 4.398 1.217 142 HG SER 21 HG SER 21 34.087 4.087 -1.057 Start of MODEL 2 1 H1 ARG 1 H1 ARG 1 32.686 7.988 0.620 2 H2 ARG 1 H2 ARG 1 31.900 9.003 1.396 3 H3 ARG 1 H3 ARG 1 32.584 7.876 2.113 4 HA ARG 1 HA ARG 1 29.896 7.828 1.172 5 HB2 ARG 1 HB2 ARG 1 30.086 5.603 -0.088 6 HB3 ARG 1 HB3 ARG 1 30.513 7.110 -0.930 7 HG2 ARG 1 HG2 ARG 1 32.854 6.664 -0.736 8 HG3 ARG 1 HG3 ARG 1 32.570 5.326 0.404 9 HD2 ARG 1 HD2 ARG 1 33.159 4.564 -1.902 10 HD3 ARG 1 HD3 ARG 1 31.575 3.977 -1.345 11 HE ARG 1 HE ARG 1 30.656 5.034 -3.123 12 HH11 ARG 1 HH11 ARG 1 33.714 6.609 -2.450 13 HH12 ARG 1 HH12 ARG 1 33.578 7.712 -3.806 14 HH21 ARG 1 HH21 ARG 1 30.479 6.464 -4.881 15 HH22 ARG 1 HH22 ARG 1 31.755 7.630 -5.176 16 HA PRO 2 HA PRO 2 30.108 5.108 4.730 17 HB2 PRO 2 HB2 PRO 2 27.549 5.470 5.584 18 HB3 PRO 2 HB3 PRO 2 28.768 6.738 5.767 19 HG2 PRO 2 HG2 PRO 2 26.512 6.540 3.802 20 HG3 PRO 2 HG3 PRO 2 27.277 7.978 4.491 21 HD2 PRO 2 HD2 PRO 2 27.790 6.849 1.906 22 HD3 PRO 2 HD3 PRO 2 28.692 8.160 2.676 23 HA PRO 3 HA PRO 3 28.441 1.172 3.611 24 HB2 PRO 3 HB2 PRO 3 26.958 0.431 5.879 25 HB3 PRO 3 HB3 PRO 3 28.704 0.213 5.699 26 HG2 PRO 3 HG2 PRO 3 27.189 2.385 7.132 27 HG3 PRO 3 HG3 PRO 3 28.718 1.610 7.563 28 HD2 PRO 3 HD2 PRO 3 28.650 4.104 6.465 29 HD3 PRO 3 HD3 PRO 3 29.980 2.991 6.124 30 HA PRO 4 HA PRO 4 24.287 2.477 2.332 31 HB2 PRO 4 HB2 PRO 4 24.336 1.417 -0.157 32 HB3 PRO 4 HB3 PRO 4 25.234 2.894 0.221 33 HG2 PRO 4 HG2 PRO 4 26.246 0.046 0.000 34 HG3 PRO 4 HG3 PRO 4 26.985 1.540 -0.590 35 HD2 PRO 4 HD2 PRO 4 27.731 0.279 1.784 36 HD3 PRO 4 HD3 PRO 4 27.986 2.001 1.473 37 H SER 5 H SER 5 22.422 1.426 2.685 38 HA SER 5 HA SER 5 22.248 -1.170 3.633 39 HB2 SER 5 HB2 SER 5 20.126 0.555 2.340 40 HB3 SER 5 HB3 SER 5 19.784 -0.980 3.169 41 HG SER 5 HG SER 5 19.539 0.853 4.559 42 H ASP 6 H ASP 6 21.205 -0.063 0.388 43 HA ASP 6 HA ASP 6 20.441 -2.363 -0.795 44 HB2 ASP 6 HB2 ASP 6 20.651 -0.051 -1.953 45 HB3 ASP 6 HB3 ASP 6 22.374 -0.500 -2.004 46 H AIB 7 H AIB 7 21.282 -4.264 -1.419 47 HB11 AIB 7 HB11 AIB 7 24.643 -5.865 0.169 48 HB12 AIB 7 HB12 AIB 7 24.281 -4.135 0.368 49 HB13 AIB 7 HB13 AIB 7 23.080 -5.357 0.849 50 HB21 AIB 7 HB21 AIB 7 22.298 -6.948 -0.935 51 HB22 AIB 7 HB22 AIB 7 23.366 -6.982 -2.275 52 HB23 AIB 7 HB23 AIB 7 21.827 -6.243 -2.425 53 H ALA 8 H ALA 8 22.940 -4.026 -3.639 54 HA ALA 8 HA ALA 8 25.237 -4.905 -4.950 55 HB1 ALA 8 HB1 ALA 8 24.782 -3.146 -6.610 56 HB2 ALA 8 HB2 ALA 8 23.609 -2.415 -5.491 57 HB3 ALA 8 HB3 ALA 8 23.311 -4.039 -6.156 58 H ALA 9 H ALA 9 24.640 -1.677 -3.534 59 HA ALA 9 HA ALA 9 27.249 -0.740 -4.160 60 HB1 ALA 9 HB1 ALA 9 26.659 1.229 -2.810 61 HB2 ALA 9 HB2 ALA 9 25.193 0.389 -2.253 62 HB3 ALA 9 HB3 ALA 9 25.382 0.803 -3.973 63 H TYR 10 H TYR 10 25.863 -2.355 -1.371 64 HA TYR 10 HA TYR 10 27.778 -1.638 0.548 65 HB2 TYR 10 HB2 TYR 10 25.560 -2.795 0.919 66 HB3 TYR 10 HB3 TYR 10 26.379 -4.299 0.431 67 HD1 TYR 10 HD1 TYR 10 26.816 -1.448 2.842 68 HD2 TYR 10 HD2 TYR 10 27.351 -5.603 2.113 69 HE1 TYR 10 HE1 TYR 10 27.668 -1.731 5.130 70 HE2 TYR 10 HE2 TYR 10 28.204 -5.899 4.402 71 HH TYR 10 HH TYR 10 29.397 -3.763 6.211 72 H ALA 11 H ALA 11 27.822 -4.056 -1.995 73 HA ALA 11 HA ALA 11 30.048 -5.540 -1.034 74 HB1 ALA 11 HB1 ALA 11 30.121 -6.513 -3.294 75 HB2 ALA 11 HB2 ALA 11 28.933 -5.306 -3.836 76 HB3 ALA 11 HB3 ALA 11 28.476 -6.517 -2.615 77 H GLN 12 H GLN 12 29.749 -3.104 -3.636 78 HA GLN 12 HA GLN 12 32.488 -2.924 -4.232 79 HB2 GLN 12 HB2 GLN 12 30.353 -1.965 -5.412 80 HB3 GLN 12 HB3 GLN 12 30.712 -0.532 -4.420 81 HG2 GLN 12 HG2 GLN 12 32.026 -0.116 -6.611 82 HG3 GLN 12 HG3 GLN 12 32.926 -0.680 -5.184 83 HE21 GLN 12 HE22 GLN 12 34.598 -1.799 -6.019 84 HE22 GLN 12 HE21 GLN 12 34.454 -3.107 -7.144 85 H TRP 13 H TRP 13 30.508 -1.335 -1.806 86 HA TRP 13 HA TRP 13 32.266 0.667 -0.957 87 HB2 TRP 13 HB2 TRP 13 29.895 0.546 -0.242 88 HB3 TRP 13 HB3 TRP 13 30.252 -0.931 0.684 89 HD1 TRP 13 HD1 TRP 13 31.046 2.850 0.720 90 HE1 TRP 13 HE1 TRP 13 31.521 3.505 3.167 91 HE3 TRP 13 HE3 TRP 13 30.904 -1.790 2.844 92 HZ2 TRP 13 HZ2 TRP 13 31.795 2.222 5.669 93 HZ3 TRP 13 HZ3 TRP 13 31.285 -1.999 5.267 94 HH2 TRP 13 HH2 TRP 13 31.721 -0.032 6.650 95 H LEU 14 H LEU 14 31.901 -2.704 0.147 96 HA LEU 14 HA LEU 14 33.921 -2.664 2.114 97 HB2 LEU 14 HB2 LEU 14 32.816 -4.759 0.382 98 HB3 LEU 14 HB3 LEU 14 33.948 -5.240 1.667 99 HG LEU 14 HG LEU 14 31.228 -3.941 2.097 100 HD11 LEU 14 HD11 LEU 14 30.564 -6.114 3.016 101 HD12 LEU 14 HD12 LEU 14 31.031 -6.239 1.304 102 HD13 LEU 14 HD13 LEU 14 32.154 -6.780 2.574 103 HD21 LEU 14 HD21 LEU 14 31.605 -4.418 4.473 104 HD22 LEU 14 HD22 LEU 14 33.230 -5.037 4.090 105 HD23 LEU 14 HD23 LEU 14 32.847 -3.317 3.831 106 H ALA 15 H ALA 15 33.981 -3.373 -1.347 107 HA ALA 15 HA ALA 15 36.569 -4.364 -1.600 108 HB1 ALA 15 HB1 ALA 15 36.423 -3.687 -3.963 109 HB2 ALA 15 HB2 ALA 15 34.975 -2.727 -3.581 110 HB3 ALA 15 HB3 ALA 15 34.941 -4.497 -3.401 111 H ASP 16 H ASP 16 35.442 -1.022 -1.424 112 HA ASP 16 HA ASP 16 38.094 0.027 -1.974 113 HB2 ASP 16 HB2 ASP 16 35.461 1.090 -2.277 114 HB3 ASP 16 HB3 ASP 16 36.254 1.856 -0.878 115 H DAL 17 H DAL 17 37.108 -1.495 0.634 116 HA DAL 17 HA DAL 17 38.765 0.095 2.408 117 HB1 DAL 17 HB1 DAL 17 38.623 -1.837 3.926 118 HB2 DAL 17 HB2 DAL 17 39.171 -2.296 2.297 119 HB3 DAL 17 HB3 DAL 17 37.495 -2.622 2.796 120 H GLY 18 H GLY 18 35.507 0.045 1.675 121 HA2 GLY 18 HA2 GLY 18 33.622 0.864 2.701 122 HA3 GLY 18 HA3 GLY 18 34.256 0.154 4.204 123 H TRP 19 H TRP 19 35.015 1.472 5.753 124 HA TRP 19 HA TRP 19 34.547 4.268 5.543 125 HB2 TRP 19 HB2 TRP 19 35.845 2.551 7.682 126 HB3 TRP 19 HB3 TRP 19 35.687 4.317 7.841 127 HD1 TRP 19 HD1 TRP 19 33.949 1.255 8.743 128 HE1 TRP 19 HE1 TRP 19 31.493 1.727 9.357 129 HE3 TRP 19 HE3 TRP 19 33.536 5.990 6.858 130 HZ2 TRP 19 HZ2 TRP 19 29.630 3.831 9.079 131 HZ3 TRP 19 HZ3 TRP 19 31.383 7.161 7.071 132 HH2 TRP 19 HH2 TRP 19 29.471 6.103 8.160 133 H ALA 20 H ALA 20 37.370 2.247 5.132 134 HA ALA 20 HA ALA 20 39.158 4.553 5.039 135 HB1 ALA 20 HB1 ALA 20 40.953 2.887 4.785 136 HB2 ALA 20 HB2 ALA 20 39.730 1.594 4.755 137 HB3 ALA 20 HB3 ALA 20 39.948 2.579 6.222 138 H SER 21 H SER 21 37.212 4.626 3.047 139 HA SER 21 HA SER 21 38.514 3.692 0.599 140 HB2 SER 21 HB2 SER 21 36.179 3.147 0.713 141 HB3 SER 21 HB3 SER 21 35.756 4.820 1.141 142 HG SER 21 HG SER 21 35.799 5.331 -0.911 Start of MODEL 3 1 H1 ARG 1 H1 ARG 1 32.019 7.567 1.096 2 H2 ARG 1 H2 ARG 1 31.866 8.460 2.292 3 H3 ARG 1 H3 ARG 1 32.328 7.044 2.467 4 HA ARG 1 HA ARG 1 29.619 7.909 2.590 5 HB2 ARG 1 HB2 ARG 1 28.618 6.357 0.918 6 HB3 ARG 1 HB3 ARG 1 29.513 7.734 0.236 7 HG2 ARG 1 HG2 ARG 1 31.372 6.340 -0.355 8 HG3 ARG 1 HG3 ARG 1 30.711 4.967 0.565 9 HD2 ARG 1 HD2 ARG 1 28.851 4.765 -0.995 10 HD3 ARG 1 HD3 ARG 1 29.385 6.221 -1.868 11 HE ARG 1 HE ARG 1 31.253 4.977 -2.689 12 HH11 ARG 1 HH11 ARG 1 28.867 3.022 -1.014 13 HH12 ARG 1 HH12 ARG 1 29.401 1.529 -1.761 14 HH21 ARG 1 HH21 ARG 1 31.939 3.041 -3.653 15 HH22 ARG 1 HH22 ARG 1 31.130 1.540 -3.246 16 HA PRO 2 HA PRO 2 30.031 4.539 5.530 17 HB2 PRO 2 HB2 PRO 2 27.126 4.991 6.027 18 HB3 PRO 2 HB3 PRO 2 28.479 5.097 7.162 19 HG2 PRO 2 HG2 PRO 2 27.202 7.307 6.254 20 HG3 PRO 2 HG3 PRO 2 28.929 7.322 6.635 21 HD2 PRO 2 HD2 PRO 2 27.579 7.225 3.928 22 HD3 PRO 2 HD3 PRO 2 29.066 8.054 4.407 23 HA PRO 3 HA PRO 3 28.487 0.834 3.689 24 HB2 PRO 3 HB2 PRO 3 27.089 -0.354 5.844 25 HB3 PRO 3 HB3 PRO 3 28.815 -0.550 5.508 26 HG2 PRO 3 HG2 PRO 3 27.445 1.294 7.448 27 HG3 PRO 3 HG3 PRO 3 28.991 0.447 7.600 28 HD2 PRO 3 HD2 PRO 3 28.906 3.105 7.051 29 HD3 PRO 3 HD3 PRO 3 30.161 2.080 6.343 30 HA PRO 4 HA PRO 4 24.269 2.194 2.779 31 HB2 PRO 4 HB2 PRO 4 24.218 1.416 0.182 32 HB3 PRO 4 HB3 PRO 4 25.104 2.860 0.692 33 HG2 PRO 4 HG2 PRO 4 26.156 0.090 0.083 34 HG3 PRO 4 HG3 PRO 4 26.855 1.664 -0.321 35 HD2 PRO 4 HD2 PRO 4 27.669 0.099 1.855 36 HD3 PRO 4 HD3 PRO 4 27.927 1.845 1.747 37 H SER 5 H SER 5 22.400 1.124 3.014 38 HA SER 5 HA SER 5 22.234 -1.551 3.715 39 HB2 SER 5 HB2 SER 5 20.099 0.296 2.623 40 HB3 SER 5 HB3 SER 5 19.762 -1.311 3.306 41 HG SER 5 HG SER 5 19.544 0.383 4.869 42 H ASP 6 H ASP 6 21.276 -0.102 0.585 43 HA ASP 6 HA ASP 6 20.480 -2.329 -0.784 44 HB2 ASP 6 HB2 ASP 6 20.542 0.103 -1.695 45 HB3 ASP 6 HB3 ASP 6 22.277 -0.264 -1.864 46 H AIB 7 H AIB 7 21.336 -4.066 -1.639 47 HB11 AIB 7 HB11 AIB 7 24.797 -5.921 -0.546 48 HB12 AIB 7 HB12 AIB 7 24.478 -4.264 0.019 49 HB13 AIB 7 HB13 AIB 7 23.297 -5.556 0.336 50 HB21 AIB 7 HB21 AIB 7 22.336 -6.740 -1.547 51 HB22 AIB 7 HB22 AIB 7 23.271 -6.586 -2.976 52 HB23 AIB 7 HB23 AIB 7 21.753 -5.800 -2.856 53 H ALA 8 H ALA 8 22.900 -3.543 -3.865 54 HA ALA 8 HA ALA 8 25.140 -4.164 -5.406 55 HB1 ALA 8 HB1 ALA 8 24.524 -2.237 -6.806 56 HB2 ALA 8 HB2 ALA 8 23.395 -1.698 -5.541 57 HB3 ALA 8 HB3 ALA 8 23.116 -3.240 -6.384 58 H ALA 9 H ALA 9 24.527 -1.166 -3.550 59 HA ALA 9 HA ALA 9 27.111 -0.101 -4.100 60 HB1 ALA 9 HB1 ALA 9 26.521 1.656 -2.483 61 HB2 ALA 9 HB2 ALA 9 25.074 0.727 -2.027 62 HB3 ALA 9 HB3 ALA 9 25.230 1.377 -3.676 63 H TYR 10 H TYR 10 25.827 -2.137 -1.491 64 HA TYR 10 HA TYR 10 27.869 -1.598 0.376 65 HB2 TYR 10 HB2 TYR 10 25.664 -2.791 0.764 66 HB3 TYR 10 HB3 TYR 10 26.453 -4.235 0.083 67 HD1 TYR 10 HD1 TYR 10 26.827 -1.690 2.809 68 HD2 TYR 10 HD2 TYR 10 27.734 -5.632 1.490 69 HE1 TYR 10 HE1 TYR 10 27.798 -2.195 5.008 70 HE2 TYR 10 HE2 TYR 10 28.711 -6.146 3.687 71 HH TYR 10 HH TYR 10 28.173 -4.796 6.304 72 H ALA 11 H ALA 11 27.684 -3.809 -2.387 73 HA ALA 11 HA ALA 11 29.982 -5.319 -1.710 74 HB1 ALA 11 HB1 ALA 11 29.957 -6.050 -4.060 75 HB2 ALA 11 HB2 ALA 11 28.731 -4.811 -4.418 76 HB3 ALA 11 HB3 ALA 11 28.345 -6.150 -3.311 77 H GLN 12 H GLN 12 29.523 -2.613 -4.005 78 HA GLN 12 HA GLN 12 32.230 -2.333 -4.707 79 HB2 GLN 12 HB2 GLN 12 30.015 -1.286 -5.669 80 HB3 GLN 12 HB3 GLN 12 30.437 0.047 -4.569 81 HG2 GLN 12 HG2 GLN 12 32.651 -0.799 -6.586 82 HG3 GLN 12 HG3 GLN 12 31.056 -0.121 -6.987 83 HE21 GLN 12 HE22 GLN 12 33.934 0.373 -4.918 84 HE22 GLN 12 HE21 GLN 12 33.848 2.103 -4.914 85 H TRP 13 H TRP 13 30.341 -1.075 -2.030 86 HA TRP 13 HA TRP 13 32.073 0.873 -1.033 87 HB2 TRP 13 HB2 TRP 13 29.767 0.555 -0.185 88 HB3 TRP 13 HB3 TRP 13 30.242 -1.010 0.516 89 HD1 TRP 13 HD1 TRP 13 30.971 2.762 0.963 90 HE1 TRP 13 HE1 TRP 13 31.597 3.133 3.436 91 HE3 TRP 13 HE3 TRP 13 30.990 -2.096 2.528 92 HZ2 TRP 13 HZ2 TRP 13 32.035 1.567 5.748 93 HZ3 TRP 13 HZ3 TRP 13 31.521 -2.582 4.883 94 HH2 TRP 13 HH2 TRP 13 32.033 -0.785 6.459 95 H LEU 14 H LEU 14 31.900 -2.614 -0.324 96 HA LEU 14 HA LEU 14 34.041 -2.721 1.505 97 HB2 LEU 14 HB2 LEU 14 32.913 -4.648 -0.403 98 HB3 LEU 14 HB3 LEU 14 34.115 -5.223 0.774 99 HG LEU 14 HG LEU 14 31.380 -4.076 1.463 100 HD11 LEU 14 HD11 LEU 14 30.804 -6.362 2.130 101 HD12 LEU 14 HD12 LEU 14 31.196 -6.260 0.398 102 HD13 LEU 14 HD13 LEU 14 32.386 -6.925 1.542 103 HD21 LEU 14 HD21 LEU 14 31.874 -4.833 3.744 104 HD22 LEU 14 HD22 LEU 14 33.494 -5.351 3.219 105 HD23 LEU 14 HD23 LEU 14 33.059 -3.626 3.191 106 H ALA 15 H ALA 15 33.897 -3.135 -2.009 107 HA ALA 15 HA ALA 15 36.567 -3.874 -2.449 108 HB1 ALA 15 HB1 ALA 15 36.176 -3.199 -4.785 109 HB2 ALA 15 HB2 ALA 15 34.656 -2.422 -4.288 110 HB3 ALA 15 HB3 ALA 15 34.845 -4.185 -4.136 111 H ASP 16 H ASP 16 35.080 -0.709 -2.054 112 HA ASP 16 HA ASP 16 37.417 0.733 -2.919 113 HB2 ASP 16 HB2 ASP 16 34.683 1.444 -2.546 114 HB3 ASP 16 HB3 ASP 16 35.656 2.168 -1.242 115 H DAL 17 H DAL 17 36.738 -0.940 -0.100 116 HA DAL 17 HA DAL 17 38.679 0.687 1.400 117 HB1 DAL 17 HB1 DAL 17 39.250 -1.377 2.612 118 HB2 DAL 17 HB2 DAL 17 39.504 -1.529 0.858 119 HB3 DAL 17 HB3 DAL 17 38.074 -2.267 1.616 120 H GLY 18 H GLY 18 35.440 0.310 1.297 121 HA2 GLY 18 HA2 GLY 18 33.712 0.564 2.787 122 HA3 GLY 18 HA3 GLY 18 34.725 -0.283 3.979 123 H TRP 19 H TRP 19 35.331 0.849 5.702 124 HA TRP 19 HA TRP 19 34.650 3.607 5.954 125 HB2 TRP 19 HB2 TRP 19 36.123 1.664 7.762 126 HB3 TRP 19 HB3 TRP 19 35.883 3.372 8.200 127 HD1 TRP 19 HD1 TRP 19 34.349 0.118 8.679 128 HE1 TRP 19 HE1 TRP 19 31.905 0.348 9.449 129 HE3 TRP 19 HE3 TRP 19 33.598 5.049 7.548 130 HZ2 TRP 19 HZ2 TRP 19 29.921 2.352 9.563 131 HZ3 TRP 19 HZ3 TRP 19 31.399 6.044 8.018 132 HH2 TRP 19 HH2 TRP 19 29.598 4.722 9.004 133 H ALA 20 H ALA 20 37.638 1.847 5.334 134 HA ALA 20 HA ALA 20 39.210 4.306 5.433 135 HB1 ALA 20 HB1 ALA 20 41.152 2.834 5.078 136 HB2 ALA 20 HB2 ALA 20 40.054 1.443 4.936 137 HB3 ALA 20 HB3 ALA 20 40.173 2.328 6.475 138 H SER 21 H SER 21 37.270 4.336 3.432 139 HA SER 21 HA SER 21 38.648 3.697 0.936 140 HB2 SER 21 HB2 SER 21 36.344 2.991 1.029 141 HB3 SER 21 HB3 SER 21 35.820 4.618 1.519 142 HG SER 21 HG SER 21 37.058 3.970 -0.970 Start of MODEL 4 1 H1 ARG 1 H1 ARG 1 32.550 8.037 1.632 2 H2 ARG 1 H2 ARG 1 32.078 8.953 2.722 3 H3 ARG 1 H3 ARG 1 32.615 7.594 3.063 4 HA ARG 1 HA ARG 1 29.874 8.200 2.592 5 HB2 ARG 1 HB2 ARG 1 29.385 6.490 0.839 6 HB3 ARG 1 HB3 ARG 1 30.258 7.936 0.280 7 HG2 ARG 1 HG2 ARG 1 32.307 6.750 0.083 8 HG3 ARG 1 HG3 ARG 1 31.680 5.364 1.007 9 HD2 ARG 1 HD2 ARG 1 30.536 4.506 -0.788 10 HD3 ARG 1 HD3 ARG 1 30.235 6.109 -1.500 11 HE ARG 1 HE ARG 1 32.545 4.401 -1.922 12 HH11 ARG 1 HH11 ARG 1 31.157 7.596 -2.280 13 HH12 ARG 1 HH12 ARG 1 32.268 8.067 -3.551 14 HH21 ARG 1 HH21 ARG 1 33.993 5.010 -3.572 15 HH22 ARG 1 HH22 ARG 1 33.867 6.609 -4.279 16 HA PRO 2 HA PRO 2 29.841 4.768 5.440 17 HB2 PRO 2 HB2 PRO 2 27.266 4.967 6.272 18 HB3 PRO 2 HB3 PRO 2 28.458 6.203 6.700 19 HG2 PRO 2 HG2 PRO 2 26.317 6.270 4.570 20 HG3 PRO 2 HG3 PRO 2 26.890 7.571 5.622 21 HD2 PRO 2 HD2 PRO 2 27.692 7.192 2.946 22 HD3 PRO 2 HD3 PRO 2 28.562 8.179 4.127 23 HA PRO 3 HA PRO 3 28.390 1.047 3.533 24 HB2 PRO 3 HB2 PRO 3 26.705 0.483 5.949 25 HB3 PRO 3 HB3 PRO 3 27.951 -0.523 5.199 26 HG2 PRO 3 HG2 PRO 3 28.365 0.862 7.512 27 HG3 PRO 3 HG3 PRO 3 29.668 0.487 6.376 28 HD2 PRO 3 HD2 PRO 3 28.374 3.114 6.946 29 HD3 PRO 3 HD3 PRO 3 29.958 2.780 6.234 30 HA PRO 4 HA PRO 4 24.361 2.558 2.139 31 HB2 PRO 4 HB2 PRO 4 24.402 1.408 -0.327 32 HB3 PRO 4 HB3 PRO 4 25.359 2.850 0.041 33 HG2 PRO 4 HG2 PRO 4 26.237 -0.046 -0.073 34 HG3 PRO 4 HG3 PRO 4 27.067 1.396 -0.673 35 HD2 PRO 4 HD2 PRO 4 27.693 0.175 1.744 36 HD3 PRO 4 HD3 PRO 4 27.990 1.889 1.426 37 H SER 5 H SER 5 22.322 1.677 1.989 38 HA SER 5 HA SER 5 21.841 -0.828 3.171 39 HB2 SER 5 HB2 SER 5 20.028 0.979 1.552 40 HB3 SER 5 HB3 SER 5 19.466 -0.470 2.416 41 HG SER 5 HG SER 5 19.227 1.460 3.670 42 H ASP 6 H ASP 6 21.266 0.178 -0.214 43 HA ASP 6 HA ASP 6 20.434 -2.150 -1.332 44 HB2 ASP 6 HB2 ASP 6 20.805 0.073 -2.590 45 HB3 ASP 6 HB3 ASP 6 22.516 -0.405 -2.467 46 H AIB 7 H AIB 7 21.239 -4.087 -1.923 47 HB11 AIB 7 HB11 AIB 7 24.401 -5.970 -0.116 48 HB12 AIB 7 HB12 AIB 7 24.149 -4.232 0.171 49 HB13 AIB 7 HB13 AIB 7 22.844 -5.390 0.518 50 HB21 AIB 7 HB21 AIB 7 22.130 -6.843 -1.267 51 HB22 AIB 7 HB22 AIB 7 23.071 -6.841 -2.701 52 HB23 AIB 7 HB23 AIB 7 21.567 -6.020 -2.662 53 H ALA 8 H ALA 8 23.052 -4.015 -3.988 54 HA ALA 8 HA ALA 8 25.427 -5.001 -5.078 55 HB1 ALA 8 HB1 ALA 8 25.148 -3.294 -6.831 56 HB2 ALA 8 HB2 ALA 8 23.904 -2.500 -5.839 57 HB3 ALA 8 HB3 ALA 8 23.625 -4.141 -6.468 58 H ALA 9 H ALA 9 24.785 -1.751 -3.723 59 HA ALA 9 HA ALA 9 27.416 -0.814 -4.249 60 HB1 ALA 9 HB1 ALA 9 26.777 1.151 -2.916 61 HB2 ALA 9 HB2 ALA 9 25.293 0.309 -2.415 62 HB3 ALA 9 HB3 ALA 9 25.542 0.729 -4.126 63 H TYR 10 H TYR 10 25.925 -2.434 -1.529 64 HA TYR 10 HA TYR 10 27.756 -1.758 0.484 65 HB2 TYR 10 HB2 TYR 10 25.602 -2.812 0.926 66 HB3 TYR 10 HB3 TYR 10 26.160 -4.295 0.112 67 HD1 TYR 10 HD1 TYR 10 26.870 -2.085 3.039 68 HD2 TYR 10 HD2 TYR 10 27.290 -5.963 1.349 69 HE1 TYR 10 HE1 TYR 10 27.764 -2.914 5.175 70 HE2 TYR 10 HE2 TYR 10 28.190 -6.802 3.475 71 HH TYR 10 HH TYR 10 28.558 -4.660 6.288 72 H ALA 11 H ALA 11 27.929 -4.119 -2.105 73 HA ALA 11 HA ALA 11 30.122 -5.603 -1.051 74 HB1 ALA 11 HB1 ALA 11 30.265 -6.598 -3.300 75 HB2 ALA 11 HB2 ALA 11 29.082 -5.406 -3.887 76 HB3 ALA 11 HB3 ALA 11 28.601 -6.609 -2.667 77 H GLN 12 H GLN 12 29.875 -3.150 -3.648 78 HA GLN 12 HA GLN 12 32.637 -2.977 -4.166 79 HB2 GLN 12 HB2 GLN 12 30.528 -2.018 -5.414 80 HB3 GLN 12 HB3 GLN 12 30.883 -0.579 -4.429 81 HG2 GLN 12 HG2 GLN 12 32.953 -1.757 -6.495 82 HG3 GLN 12 HG3 GLN 12 31.691 -0.504 -6.554 83 HE21 GLN 12 HE22 GLN 12 34.903 -1.340 -5.554 84 HE22 GLN 12 HE21 GLN 12 35.329 0.194 -4.871 85 H TRP 13 H TRP 13 30.560 -1.392 -1.811 86 HA TRP 13 HA TRP 13 32.246 0.633 -0.911 87 HB2 TRP 13 HB2 TRP 13 29.883 0.443 -0.202 88 HB3 TRP 13 HB3 TRP 13 30.270 -1.043 0.699 89 HD1 TRP 13 HD1 TRP 13 30.853 2.760 0.829 90 HE1 TRP 13 HE1 TRP 13 31.367 3.381 3.273 91 HE3 TRP 13 HE3 TRP 13 31.110 -1.929 2.811 92 HZ2 TRP 13 HZ2 TRP 13 31.817 2.050 5.727 93 HZ3 TRP 13 HZ3 TRP 13 31.592 -2.182 5.211 94 HH2 TRP 13 HH2 TRP 13 31.941 -0.229 6.638 95 H LEU 14 H LEU 14 32.029 -2.777 0.085 96 HA LEU 14 HA LEU 14 34.026 -2.697 2.084 97 HB2 LEU 14 HB2 LEU 14 33.014 -4.790 0.293 98 HB3 LEU 14 HB3 LEU 14 34.157 -5.258 1.573 99 HG LEU 14 HG LEU 14 31.381 -4.076 2.016 100 HD11 LEU 14 HD11 LEU 14 30.801 -6.291 2.889 101 HD12 LEU 14 HD12 LEU 14 31.281 -6.366 1.177 102 HD13 LEU 14 HD13 LEU 14 32.418 -6.885 2.445 103 HD21 LEU 14 HD21 LEU 14 31.771 -4.587 4.385 104 HD22 LEU 14 HD22 LEU 14 33.420 -5.134 3.995 105 HD23 LEU 14 HD23 LEU 14 32.971 -3.426 3.769 106 H ALA 15 H ALA 15 34.122 -3.488 -1.370 107 HA ALA 15 HA ALA 15 36.797 -4.251 -1.581 108 HB1 ALA 15 HB1 ALA 15 36.573 -3.749 -3.981 109 HB2 ALA 15 HB2 ALA 15 35.038 -2.916 -3.646 110 HB3 ALA 15 HB3 ALA 15 35.184 -4.664 -3.350 111 H ASP 16 H ASP 16 35.365 -1.052 -1.425 112 HA ASP 16 HA ASP 16 37.846 0.254 -2.192 113 HB2 ASP 16 HB2 ASP 16 35.100 1.019 -2.345 114 HB3 ASP 16 HB3 ASP 16 35.889 1.904 -1.016 115 H DAL 17 H DAL 17 37.408 -1.346 0.434 116 HA DAL 17 HA DAL 17 38.910 0.478 2.093 117 HB1 DAL 17 HB1 DAL 17 39.125 -1.432 3.628 118 HB2 DAL 17 HB2 DAL 17 39.601 -1.845 1.964 119 HB3 DAL 17 HB3 DAL 17 38.020 -2.368 2.593 120 H GLY 18 H GLY 18 35.607 -0.311 1.724 121 HA2 GLY 18 HA2 GLY 18 33.717 0.290 2.882 122 HA3 GLY 18 HA3 GLY 18 34.625 -0.157 4.346 123 H TRP 19 H TRP 19 35.263 1.406 5.708 124 HA TRP 19 HA TRP 19 34.228 4.029 5.403 125 HB2 TRP 19 HB2 TRP 19 36.004 2.696 7.447 126 HB3 TRP 19 HB3 TRP 19 35.730 4.453 7.502 127 HD1 TRP 19 HD1 TRP 19 34.351 1.346 8.819 128 HE1 TRP 19 HE1 TRP 19 31.971 1.704 9.729 129 HE3 TRP 19 HE3 TRP 19 33.368 5.908 6.736 130 HZ2 TRP 19 HZ2 TRP 19 29.943 3.666 9.582 131 HZ3 TRP 19 HZ3 TRP 19 31.187 6.958 7.168 132 HH2 TRP 19 HH2 TRP 19 29.510 5.858 8.562 133 H ALA 20 H ALA 20 37.300 2.587 4.619 134 HA ALA 20 HA ALA 20 38.571 5.187 4.227 135 HB1 ALA 20 HB1 ALA 20 40.589 3.882 3.690 136 HB2 ALA 20 HB2 ALA 20 39.648 2.382 3.858 137 HB3 ALA 20 HB3 ALA 20 39.903 3.434 5.270 138 H SER 21 H SER 21 36.336 4.764 2.593 139 HA SER 21 HA SER 21 37.380 4.039 -0.041 140 HB2 SER 21 HB2 SER 21 35.270 3.027 0.424 141 HB3 SER 21 HB3 SER 21 34.584 4.567 0.992 142 HG SER 21 HG SER 21 35.507 4.208 -1.673 Start of MODEL 5 1 H1 ARG 1 H1 ARG 1 32.385 7.852 1.706 2 H2 ARG 1 H2 ARG 1 32.153 8.691 2.927 3 H3 ARG 1 H3 ARG 1 32.645 7.281 3.068 4 HA ARG 1 HA ARG 1 29.910 8.069 3.098 5 HB2 ARG 1 HB2 ARG 1 28.985 6.684 1.310 6 HB3 ARG 1 HB3 ARG 1 30.044 7.975 0.696 7 HG2 ARG 1 HG2 ARG 1 31.878 6.310 0.463 8 HG3 ARG 1 HG3 ARG 1 30.752 5.034 0.984 9 HD2 ARG 1 HD2 ARG 1 30.280 6.821 -1.424 10 HD3 ARG 1 HD3 ARG 1 31.067 5.228 -1.517 11 HE ARG 1 HE ARG 1 29.016 4.211 -1.001 12 HH11 ARG 1 HH11 ARG 1 28.716 7.702 -1.157 13 HH12 ARG 1 HH12 ARG 1 26.968 7.661 -1.283 14 HH21 ARG 1 HH21 ARG 1 26.750 4.161 -1.166 15 HH22 ARG 1 HH22 ARG 1 25.862 5.667 -1.287 16 HA PRO 2 HA PRO 2 30.024 4.429 5.647 17 HB2 PRO 2 HB2 PRO 2 27.506 4.532 6.657 18 HB3 PRO 2 HB3 PRO 2 28.714 5.748 7.094 19 HG2 PRO 2 HG2 PRO 2 26.454 5.935 5.093 20 HG3 PRO 2 HG3 PRO 2 27.047 7.156 6.227 21 HD2 PRO 2 HD2 PRO 2 27.726 7.067 3.508 22 HD3 PRO 2 HD3 PRO 2 28.679 7.905 4.739 23 HA PRO 3 HA PRO 3 28.476 0.826 3.610 24 HB2 PRO 3 HB2 PRO 3 26.955 0.033 6.061 25 HB3 PRO 3 HB3 PRO 3 28.214 -0.856 5.193 26 HG2 PRO 3 HG2 PRO 3 28.638 0.410 7.586 27 HG3 PRO 3 HG3 PRO 3 29.918 0.119 6.402 28 HD2 PRO 3 HD2 PRO 3 28.606 2.684 7.146 29 HD3 PRO 3 HD3 PRO 3 30.162 2.415 6.350 30 HA PRO 4 HA PRO 4 24.320 2.299 2.610 31 HB2 PRO 4 HB2 PRO 4 24.217 1.340 0.067 32 HB3 PRO 4 HB3 PRO 4 25.173 2.770 0.477 33 HG2 PRO 4 HG2 PRO 4 26.087 -0.084 0.070 34 HG3 PRO 4 HG3 PRO 4 26.858 1.420 -0.449 35 HD2 PRO 4 HD2 PRO 4 27.626 -0.011 1.820 36 HD3 PRO 4 HD3 PRO 4 27.931 1.718 1.607 37 H SER 5 H SER 5 22.287 1.355 2.459 38 HA SER 5 HA SER 5 21.973 -1.245 3.509 39 HB2 SER 5 HB2 SER 5 19.992 0.609 2.164 40 HB3 SER 5 HB3 SER 5 19.540 -0.920 2.952 41 HG SER 5 HG SER 5 19.336 0.902 4.364 42 H ASP 6 H ASP 6 21.127 -0.029 0.243 43 HA ASP 6 HA ASP 6 20.283 -2.342 -0.932 44 HB2 ASP 6 HB2 ASP 6 20.686 0.142 -1.958 45 HB3 ASP 6 HB3 ASP 6 22.194 -0.703 -2.389 46 H AIB 7 H AIB 7 21.164 -4.122 -1.912 47 HB11 AIB 7 HB11 AIB 7 24.531 -5.971 -0.479 48 HB12 AIB 7 HB12 AIB 7 24.196 -4.287 -0.013 49 HB13 AIB 7 HB13 AIB 7 22.988 -5.554 0.299 50 HB21 AIB 7 HB21 AIB 7 22.185 -6.854 -1.575 51 HB22 AIB 7 HB22 AIB 7 23.133 -6.720 -2.998 52 HB23 AIB 7 HB23 AIB 7 21.596 -5.964 -2.917 53 H ALA 8 H ALA 8 22.809 -3.709 -4.020 54 HA ALA 8 HA ALA 8 25.119 -4.454 -5.396 55 HB1 ALA 8 HB1 ALA 8 24.642 -2.569 -6.907 56 HB2 ALA 8 HB2 ALA 8 23.459 -1.948 -5.734 57 HB3 ALA 8 HB3 ALA 8 23.182 -3.514 -6.531 58 H ALA 9 H ALA 9 24.485 -1.394 -3.650 59 HA ALA 9 HA ALA 9 27.054 -0.327 -4.230 60 HB1 ALA 9 HB1 ALA 9 26.463 1.460 -2.650 61 HB2 ALA 9 HB2 ALA 9 25.034 0.526 -2.152 62 HB3 ALA 9 HB3 ALA 9 25.161 1.137 -3.819 63 H TYR 10 H TYR 10 25.785 -2.288 -1.625 64 HA TYR 10 HA TYR 10 27.724 -1.769 0.336 65 HB2 TYR 10 HB2 TYR 10 25.555 -2.987 0.640 66 HB3 TYR 10 HB3 TYR 10 26.316 -4.394 -0.142 67 HD1 TYR 10 HD1 TYR 10 28.206 -5.557 1.001 68 HD2 TYR 10 HD2 TYR 10 26.037 -2.456 2.938 69 HE1 TYR 10 HE1 TYR 10 29.126 -6.274 3.167 70 HE2 TYR 10 HE2 TYR 10 26.945 -3.167 5.110 71 HH TYR 10 HH TYR 10 28.021 -5.810 5.880 72 H ALA 11 H ALA 11 27.778 -3.857 -2.488 73 HA ALA 11 HA ALA 11 30.080 -5.362 -1.745 74 HB1 ALA 11 HB1 ALA 11 30.099 -6.106 -4.093 75 HB2 ALA 11 HB2 ALA 11 28.850 -4.897 -4.471 76 HB3 ALA 11 HB3 ALA 11 28.482 -6.239 -3.361 77 H GLN 12 H GLN 12 29.594 -2.667 -4.047 78 HA GLN 12 HA GLN 12 32.306 -2.339 -4.721 79 HB2 GLN 12 HB2 GLN 12 30.085 -1.340 -5.718 80 HB3 GLN 12 HB3 GLN 12 30.466 0.005 -4.617 81 HG2 GLN 12 HG2 GLN 12 31.673 0.652 -6.805 82 HG3 GLN 12 HG3 GLN 12 32.650 -0.045 -5.492 83 HE21 GLN 12 HE22 GLN 12 34.279 -1.060 -6.517 84 HE22 GLN 12 HE21 GLN 12 34.084 -2.249 -7.762 85 H TRP 13 H TRP 13 30.364 -1.113 -2.067 86 HA TRP 13 HA TRP 13 32.053 0.883 -1.080 87 HB2 TRP 13 HB2 TRP 13 29.744 0.563 -0.261 88 HB3 TRP 13 HB3 TRP 13 30.209 -0.998 0.456 89 HD1 TRP 13 HD1 TRP 13 30.788 2.784 0.939 90 HE1 TRP 13 HE1 TRP 13 31.407 3.161 3.410 91 HE3 TRP 13 HE3 TRP 13 31.106 -2.082 2.439 92 HZ2 TRP 13 HZ2 TRP 13 31.953 1.595 5.698 93 HZ3 TRP 13 HZ3 TRP 13 31.686 -2.567 4.782 94 HH2 TRP 13 HH2 TRP 13 32.102 -0.762 6.377 95 H LEU 14 H LEU 14 31.969 -2.612 -0.422 96 HA LEU 14 HA LEU 14 34.073 -2.677 1.465 97 HB2 LEU 14 HB2 LEU 14 33.003 -4.612 -0.464 98 HB3 LEU 14 HB3 LEU 14 34.222 -5.172 0.704 99 HG LEU 14 HG LEU 14 31.452 -4.110 1.401 100 HD11 LEU 14 HD11 LEU 14 30.967 -6.416 2.076 101 HD12 LEU 14 HD12 LEU 14 31.357 -6.307 0.343 102 HD13 LEU 14 HD13 LEU 14 32.570 -6.919 1.492 103 HD21 LEU 14 HD21 LEU 14 31.975 -4.839 3.685 104 HD22 LEU 14 HD22 LEU 14 33.613 -5.302 3.162 105 HD23 LEU 14 HD23 LEU 14 33.117 -3.593 3.128 106 H ALA 15 H ALA 15 33.983 -3.038 -2.052 107 HA ALA 15 HA ALA 15 36.632 -3.777 -2.510 108 HB1 ALA 15 HB1 ALA 15 36.284 -2.958 -4.807 109 HB2 ALA 15 HB2 ALA 15 34.779 -2.170 -4.279 110 HB3 ALA 15 HB3 ALA 15 34.920 -3.943 -4.225 111 H ASP 16 H ASP 16 35.241 -0.584 -1.957 112 HA ASP 16 HA ASP 16 37.692 0.777 -2.675 113 HB2 ASP 16 HB2 ASP 16 34.961 1.594 -2.489 114 HB3 ASP 16 HB3 ASP 16 35.885 2.284 -1.132 115 H DAL 17 H DAL 17 36.980 -1.028 -0.052 116 HA DAL 17 HA DAL 17 38.744 0.571 1.664 117 HB1 DAL 17 HB1 DAL 17 39.200 -1.536 2.852 118 HB2 DAL 17 HB2 DAL 17 39.575 -1.645 1.116 119 HB3 DAL 17 HB3 DAL 17 38.084 -2.380 1.752 120 H GLY 18 H GLY 18 35.532 0.282 1.307 121 HA2 GLY 18 HA2 GLY 18 33.691 0.494 2.669 122 HA3 GLY 18 HA3 GLY 18 34.608 -0.377 3.919 123 H TRP 19 H TRP 19 35.262 0.725 5.658 124 HA TRP 19 HA TRP 19 34.490 3.453 5.975 125 HB2 TRP 19 HB2 TRP 19 35.942 1.464 7.733 126 HB3 TRP 19 HB3 TRP 19 35.776 3.168 8.218 127 HD1 TRP 19 HD1 TRP 19 34.110 -0.029 8.635 128 HE1 TRP 19 HE1 TRP 19 31.676 0.284 9.410 129 HE3 TRP 19 HE3 TRP 19 33.559 4.948 7.599 130 HZ2 TRP 19 HZ2 TRP 19 29.774 2.366 9.562 131 HZ3 TRP 19 HZ3 TRP 19 31.402 6.022 8.087 132 HH2 TRP 19 HH2 TRP 19 29.548 4.757 9.048 133 H ALA 20 H ALA 20 37.497 1.821 5.205 134 HA ALA 20 HA ALA 20 39.022 4.302 5.454 135 HB1 ALA 20 HB1 ALA 20 40.988 2.901 4.974 136 HB2 ALA 20 HB2 ALA 20 39.918 1.496 4.760 137 HB3 ALA 20 HB3 ALA 20 40.046 2.283 6.351 138 H SER 21 H SER 21 37.036 4.389 3.488 139 HA SER 21 HA SER 21 38.398 3.967 0.937 140 HB2 SER 21 HB2 SER 21 36.124 3.153 1.032 141 HB3 SER 21 HB3 SER 21 35.543 4.735 1.600 142 HG SER 21 HG SER 21 35.186 4.532 -0.634 Start of MODEL 6 1 H1 ARG 1 H1 ARG 1 32.166 8.071 1.840 2 H2 ARG 1 H2 ARG 1 31.737 8.876 3.030 3 H3 ARG 1 H3 ARG 1 32.387 7.538 3.225 4 HA ARG 1 HA ARG 1 29.580 7.981 3.038 5 HB2 ARG 1 HB2 ARG 1 28.922 6.587 1.189 6 HB3 ARG 1 HB3 ARG 1 29.994 7.891 0.630 7 HG2 ARG 1 HG2 ARG 1 31.873 6.332 0.515 8 HG3 ARG 1 HG3 ARG 1 30.847 5.022 1.148 9 HD2 ARG 1 HD2 ARG 1 29.623 4.847 -0.829 10 HD3 ARG 1 HD3 ARG 1 30.030 6.500 -1.345 11 HE ARG 1 HE ARG 1 31.565 4.100 -1.791 12 HH11 ARG 1 HH11 ARG 1 31.667 7.596 -1.623 13 HH12 ARG 1 HH12 ARG 1 33.098 7.722 -2.628 14 HH21 ARG 1 HH21 ARG 1 33.425 4.259 -3.097 15 HH22 ARG 1 HH22 ARG 1 34.088 5.840 -3.459 16 HA PRO 2 HA PRO 2 30.027 4.363 5.607 17 HB2 PRO 2 HB2 PRO 2 27.560 4.376 6.732 18 HB3 PRO 2 HB3 PRO 2 28.737 5.642 7.111 19 HG2 PRO 2 HG2 PRO 2 26.363 5.739 5.247 20 HG3 PRO 2 HG3 PRO 2 26.999 6.997 6.316 21 HD2 PRO 2 HD2 PRO 2 27.502 6.822 3.541 22 HD3 PRO 2 HD3 PRO 2 28.450 7.787 4.680 23 HA PRO 3 HA PRO 3 28.473 0.715 3.654 24 HB2 PRO 3 HB2 PRO 3 27.006 -0.083 6.138 25 HB3 PRO 3 HB3 PRO 3 28.258 -0.963 5.250 26 HG2 PRO 3 HG2 PRO 3 28.724 0.313 7.625 27 HG3 PRO 3 HG3 PRO 3 29.979 0.055 6.406 28 HD2 PRO 3 HD2 PRO 3 28.608 2.587 7.179 29 HD3 PRO 3 HD3 PRO 3 30.167 2.361 6.377 30 HA PRO 4 HA PRO 4 24.290 2.158 2.715 31 HB2 PRO 4 HB2 PRO 4 24.168 1.213 0.169 32 HB3 PRO 4 HB3 PRO 4 25.105 2.657 0.576 33 HG2 PRO 4 HG2 PRO 4 26.064 -0.187 0.164 34 HG3 PRO 4 HG3 PRO 4 26.787 1.325 -0.400 35 HD2 PRO 4 HD2 PRO 4 27.688 -0.031 1.842 36 HD3 PRO 4 HD3 PRO 4 27.870 1.717 1.645 37 H SER 5 H SER 5 22.273 1.183 2.627 38 HA SER 5 HA SER 5 22.024 -1.448 3.612 39 HB2 SER 5 HB2 SER 5 19.987 0.414 2.364 40 HB3 SER 5 HB3 SER 5 19.574 -1.143 3.118 41 HG SER 5 HG SER 5 19.373 0.636 4.585 42 H ASP 6 H ASP 6 21.140 -0.130 0.403 43 HA ASP 6 HA ASP 6 20.281 -2.358 -0.884 44 HB2 ASP 6 HB2 ASP 6 20.506 -0.004 -1.923 45 HB3 ASP 6 HB3 ASP 6 22.230 -0.447 -1.985 46 H AIB 7 H AIB 7 21.093 -4.188 -1.761 47 HB11 AIB 7 HB11 AIB 7 24.520 -6.239 -0.592 48 HB12 AIB 7 HB12 AIB 7 24.320 -4.578 0.016 49 HB13 AIB 7 HB13 AIB 7 23.085 -5.810 0.369 50 HB21 AIB 7 HB21 AIB 7 21.856 -6.812 -1.364 51 HB22 AIB 7 HB22 AIB 7 22.741 -6.848 -2.833 52 HB23 AIB 7 HB23 AIB 7 21.328 -5.885 -2.706 53 H ALA 8 H ALA 8 22.736 -3.837 -3.922 54 HA ALA 8 HA ALA 8 25.048 -4.604 -5.287 55 HB1 ALA 8 HB1 ALA 8 24.582 -2.730 -6.814 56 HB2 ALA 8 HB2 ALA 8 23.394 -2.097 -5.651 57 HB3 ALA 8 HB3 ALA 8 23.118 -3.669 -6.437 58 H ALA 9 H ALA 9 24.410 -1.540 -3.555 59 HA ALA 9 HA ALA 9 26.947 -0.440 -4.195 60 HB1 ALA 9 HB1 ALA 9 26.362 1.350 -2.616 61 HB2 ALA 9 HB2 ALA 9 24.962 0.396 -2.075 62 HB3 ALA 9 HB3 ALA 9 25.037 0.995 -3.749 63 H TYR 10 H TYR 10 25.772 -2.390 -1.536 64 HA TYR 10 HA TYR 10 27.738 -1.816 0.375 65 HB2 TYR 10 HB2 TYR 10 25.682 -3.018 0.887 66 HB3 TYR 10 HB3 TYR 10 26.230 -4.387 -0.111 67 HD1 TYR 10 HD1 TYR 10 27.087 -2.428 2.951 68 HD2 TYR 10 HD2 TYR 10 27.550 -6.101 0.858 69 HE1 TYR 10 HE1 TYR 10 28.202 -3.400 4.914 70 HE2 TYR 10 HE2 TYR 10 28.672 -7.081 2.812 71 HH TYR 10 HH TYR 10 29.371 -6.758 4.891 72 H ALA 11 H ALA 11 27.792 -3.921 -2.435 73 HA ALA 11 HA ALA 11 30.132 -5.380 -1.719 74 HB1 ALA 11 HB1 ALA 11 30.131 -6.131 -4.063 75 HB2 ALA 11 HB2 ALA 11 28.857 -4.946 -4.428 76 HB3 ALA 11 HB3 ALA 11 28.527 -6.289 -3.310 77 H GLN 12 H GLN 12 29.566 -2.723 -4.048 78 HA GLN 12 HA GLN 12 32.259 -2.342 -4.755 79 HB2 GLN 12 HB2 GLN 12 30.008 -1.395 -5.727 80 HB3 GLN 12 HB3 GLN 12 30.374 -0.035 -4.639 81 HG2 GLN 12 HG2 GLN 12 31.539 0.626 -6.847 82 HG3 GLN 12 HG3 GLN 12 32.548 -0.045 -5.544 83 HE21 GLN 12 HE22 GLN 12 34.190 -0.991 -6.636 84 HE22 GLN 12 HE21 GLN 12 33.994 -2.208 -7.853 85 H TRP 13 H TRP 13 30.332 -1.125 -2.084 86 HA TRP 13 HA TRP 13 31.993 0.909 -1.135 87 HB2 TRP 13 HB2 TRP 13 29.704 0.541 -0.278 88 HB3 TRP 13 HB3 TRP 13 30.216 -1.005 0.440 89 HD1 TRP 13 HD1 TRP 13 30.713 2.789 0.887 90 HE1 TRP 13 HE1 TRP 13 31.353 3.202 3.347 91 HE3 TRP 13 HE3 TRP 13 31.169 -2.055 2.418 92 HZ2 TRP 13 HZ2 TRP 13 31.966 1.667 5.640 93 HZ3 TRP 13 HZ3 TRP 13 31.791 -2.507 4.757 94 HH2 TRP 13 HH2 TRP 13 32.183 -0.682 6.334 95 H LEU 14 H LEU 14 31.995 -2.584 -0.456 96 HA LEU 14 HA LEU 14 34.134 -2.586 1.394 97 HB2 LEU 14 HB2 LEU 14 33.074 -4.560 -0.503 98 HB3 LEU 14 HB3 LEU 14 34.328 -5.084 0.645 99 HG LEU 14 HG LEU 14 31.547 -4.083 1.387 100 HD11 LEU 14 HD11 LEU 14 31.130 -6.395 2.086 101 HD12 LEU 14 HD12 LEU 14 31.487 -6.290 0.346 102 HD13 LEU 14 HD13 LEU 14 32.735 -6.862 1.478 103 HD21 LEU 14 HD21 LEU 14 32.130 -4.781 3.667 104 HD22 LEU 14 HD22 LEU 14 33.768 -5.208 3.115 105 HD23 LEU 14 HD23 LEU 14 33.231 -3.512 3.079 106 H ALA 15 H ALA 15 33.987 -2.988 -2.119 107 HA ALA 15 HA ALA 15 36.665 -3.636 -2.599 108 HB1 ALA 15 HB1 ALA 15 36.240 -2.911 -4.915 109 HB2 ALA 15 HB2 ALA 15 34.707 -2.181 -4.387 110 HB3 ALA 15 HB3 ALA 15 34.937 -3.942 -4.279 111 H ASP 16 H ASP 16 35.131 -0.521 -2.063 112 HA ASP 16 HA ASP 16 37.462 0.973 -2.901 113 HB2 ASP 16 HB2 ASP 16 34.668 1.642 -2.369 114 HB3 ASP 16 HB3 ASP 16 35.814 2.517 -1.325 115 H DAL 17 H DAL 17 36.830 -0.798 -0.173 116 HA DAL 17 HA DAL 17 38.666 0.854 1.422 117 HB1 DAL 17 HB1 DAL 17 39.251 -1.224 2.604 118 HB2 DAL 17 HB2 DAL 17 39.550 -1.337 0.854 119 HB3 DAL 17 HB3 DAL 17 38.117 -2.117 1.564 120 H GLY 18 H GLY 18 35.460 0.476 1.207 121 HA2 GLY 18 HA2 GLY 18 33.678 0.704 2.636 122 HA3 GLY 18 HA3 GLY 18 34.621 -0.234 3.817 123 H TRP 19 H TRP 19 35.341 0.783 5.579 124 HA TRP 19 HA TRP 19 34.635 3.517 6.022 125 HB2 TRP 19 HB2 TRP 19 36.121 1.464 7.693 126 HB3 TRP 19 HB3 TRP 19 35.862 3.136 8.245 127 HD1 TRP 19 HD1 TRP 19 34.350 -0.163 8.476 128 HE1 TRP 19 HE1 TRP 19 31.902 -0.005 9.255 129 HE3 TRP 19 HE3 TRP 19 33.579 4.835 7.722 130 HZ2 TRP 19 HZ2 TRP 19 29.907 1.978 9.513 131 HZ3 TRP 19 HZ3 TRP 19 31.373 5.783 8.259 132 HH2 TRP 19 HH2 TRP 19 29.575 4.382 9.135 133 H ALA 20 H ALA 20 37.598 1.823 5.185 134 HA ALA 20 HA ALA 20 39.182 4.260 5.489 135 HB1 ALA 20 HB1 ALA 20 41.114 2.822 4.985 136 HB2 ALA 20 HB2 ALA 20 40.011 1.448 4.743 137 HB3 ALA 20 HB3 ALA 20 40.153 2.202 6.348 138 H SER 21 H SER 21 37.205 4.434 3.512 139 HA SER 21 HA SER 21 38.589 4.041 0.966 140 HB2 SER 21 HB2 SER 21 36.284 3.255 1.074 141 HB3 SER 21 HB3 SER 21 35.739 4.871 1.577 142 HG SER 21 HG SER 21 35.692 5.408 -0.458 Start of MODEL 7 1 H1 ARG 1 H1 ARG 1 33.090 7.576 1.122 2 H2 ARG 1 H2 ARG 1 32.937 8.579 2.228 3 H3 ARG 1 H3 ARG 1 33.236 7.145 2.553 4 HA ARG 1 HA ARG 1 30.626 8.272 2.374 5 HB2 ARG 1 HB2 ARG 1 29.578 6.818 0.716 6 HB3 ARG 1 HB3 ARG 1 30.819 7.878 0.007 7 HG2 ARG 1 HG2 ARG 1 32.406 6.013 -0.047 8 HG3 ARG 1 HG3 ARG 1 31.198 4.947 0.709 9 HD2 ARG 1 HD2 ARG 1 29.740 5.146 -1.222 10 HD3 ARG 1 HD3 ARG 1 30.819 6.354 -1.958 11 HE ARG 1 HE ARG 1 32.381 4.632 -2.401 12 HH11 ARG 1 HH11 ARG 1 29.377 3.417 -1.060 13 HH12 ARG 1 HH12 ARG 1 29.654 1.780 -1.625 14 HH21 ARG 1 HH21 ARG 1 32.732 2.511 -3.139 15 HH22 ARG 1 HH22 ARG 1 31.543 1.272 -2.795 16 HA PRO 2 HA PRO 2 30.111 5.001 5.326 17 HB2 PRO 2 HB2 PRO 2 27.500 5.373 5.987 18 HB3 PRO 2 HB3 PRO 2 28.736 6.562 6.422 19 HG2 PRO 2 HG2 PRO 2 26.751 6.620 4.143 20 HG3 PRO 2 HG3 PRO 2 27.293 7.940 5.185 21 HD2 PRO 2 HD2 PRO 2 28.282 7.472 2.609 22 HD3 PRO 2 HD3 PRO 2 29.154 8.385 3.847 23 HA PRO 3 HA PRO 3 28.516 1.266 3.573 24 HB2 PRO 3 HB2 PRO 3 26.780 0.778 5.947 25 HB3 PRO 3 HB3 PRO 3 28.107 -0.207 5.317 26 HG2 PRO 3 HG2 PRO 3 28.293 1.328 7.588 27 HG3 PRO 3 HG3 PRO 3 29.687 0.871 6.598 28 HD2 PRO 3 HD2 PRO 3 28.370 3.528 6.871 29 HD3 PRO 3 HD3 PRO 3 30.005 3.142 6.320 30 HA PRO 4 HA PRO 4 24.528 2.793 2.101 31 HB2 PRO 4 HB2 PRO 4 24.541 1.561 -0.314 32 HB3 PRO 4 HB3 PRO 4 25.581 2.956 0.008 33 HG2 PRO 4 HG2 PRO 4 26.284 0.006 0.038 34 HG3 PRO 4 HG3 PRO 4 27.183 1.359 -0.664 35 HD2 PRO 4 HD2 PRO 4 27.805 0.257 1.799 36 HD3 PRO 4 HD3 PRO 4 28.161 1.940 1.388 37 H SER 5 H SER 5 22.473 1.977 2.116 38 HA SER 5 HA SER 5 21.926 -0.436 3.408 39 HB2 SER 5 HB2 SER 5 20.144 1.300 1.682 40 HB3 SER 5 HB3 SER 5 19.556 -0.062 2.664 41 HG SER 5 HG SER 5 19.393 1.966 3.768 42 H ASP 6 H ASP 6 21.619 0.343 -0.062 43 HA ASP 6 HA ASP 6 20.423 -1.985 -0.934 44 HB2 ASP 6 HB2 ASP 6 22.427 -0.215 -2.452 45 HB3 ASP 6 HB3 ASP 6 21.517 -1.628 -3.041 46 H AIB 7 H AIB 7 21.197 -3.908 -1.925 47 HB11 AIB 7 HB11 AIB 7 24.254 -6.088 -0.083 48 HB12 AIB 7 HB12 AIB 7 24.196 -4.336 0.222 49 HB13 AIB 7 HB13 AIB 7 22.823 -5.366 0.688 50 HB21 AIB 7 HB21 AIB 7 21.692 -6.635 -0.973 51 HB22 AIB 7 HB22 AIB 7 22.559 -6.843 -2.439 52 HB23 AIB 7 HB23 AIB 7 21.209 -5.788 -2.383 53 H ALA 8 H ALA 8 22.949 -4.121 -3.854 54 HA ALA 8 HA ALA 8 25.329 -5.227 -4.838 55 HB1 ALA 8 HB1 ALA 8 25.087 -3.652 -6.718 56 HB2 ALA 8 HB2 ALA 8 23.829 -2.784 -5.809 57 HB3 ALA 8 HB3 ALA 8 23.556 -4.466 -6.320 58 H ALA 9 H ALA 9 24.697 -1.859 -3.790 59 HA ALA 9 HA ALA 9 27.329 -0.978 -4.303 60 HB1 ALA 9 HB1 ALA 9 26.718 1.041 -3.039 61 HB2 ALA 9 HB2 ALA 9 25.227 0.234 -2.502 62 HB3 ALA 9 HB3 ALA 9 25.477 0.587 -4.229 63 H TYR 10 H TYR 10 25.858 -2.487 -1.503 64 HA TYR 10 HA TYR 10 27.704 -1.729 0.461 65 HB2 TYR 10 HB2 TYR 10 25.506 -2.859 0.834 66 HB3 TYR 10 HB3 TYR 10 26.266 -4.373 0.287 67 HD1 TYR 10 HD2 TYR 10 26.274 -1.804 2.966 68 HD2 TYR 10 HD1 TYR 10 27.703 -5.621 1.755 69 HE1 TYR 10 HE2 TYR 10 27.070 -2.223 5.252 70 HE2 TYR 10 HE1 TYR 10 28.506 -6.051 4.040 71 HH TYR 10 HH TYR 10 27.575 -4.767 6.591 72 H ALA 11 H ALA 11 27.859 -4.197 -2.030 73 HA ALA 11 HA ALA 11 30.068 -5.638 -0.975 74 HB1 ALA 11 HB1 ALA 11 30.227 -6.641 -3.220 75 HB2 ALA 11 HB2 ALA 11 29.047 -5.454 -3.819 76 HB3 ALA 11 HB3 ALA 11 28.559 -6.653 -2.600 77 H GLN 12 H GLN 12 29.831 -3.239 -3.623 78 HA GLN 12 HA GLN 12 32.585 -3.034 -4.124 79 HB2 GLN 12 HB2 GLN 12 30.486 -2.096 -5.384 80 HB3 GLN 12 HB3 GLN 12 30.798 -0.658 -4.385 81 HG2 GLN 12 HG2 GLN 12 33.114 -1.734 -6.203 82 HG3 GLN 12 HG3 GLN 12 31.623 -0.876 -6.656 83 HE21 GLN 12 HE22 GLN 12 34.641 -0.719 -4.819 84 HE22 GLN 12 HE21 GLN 12 34.669 1.005 -4.644 85 H TRP 13 H TRP 13 30.502 -1.430 -1.788 86 HA TRP 13 HA TRP 13 32.178 0.597 -0.886 87 HB2 TRP 13 HB2 TRP 13 29.813 0.390 -0.187 88 HB3 TRP 13 HB3 TRP 13 30.210 -1.085 0.726 89 HD1 TRP 13 HD1 TRP 13 30.830 2.721 0.810 90 HE1 TRP 13 HE1 TRP 13 31.314 3.369 3.254 91 HE3 TRP 13 HE3 TRP 13 30.969 -1.943 2.867 92 HZ2 TRP 13 HZ2 TRP 13 31.699 2.068 5.735 93 HZ3 TRP 13 HZ3 TRP 13 31.407 -2.166 5.278 94 HH2 TRP 13 HH2 TRP 13 31.767 -0.199 6.681 95 H LEU 14 H LEU 14 31.958 -2.801 0.152 96 HA LEU 14 HA LEU 14 33.948 -2.699 2.151 97 HB2 LEU 14 HB2 LEU 14 32.945 -4.814 0.380 98 HB3 LEU 14 HB3 LEU 14 34.081 -5.266 1.672 99 HG LEU 14 HG LEU 14 31.306 -4.074 2.087 100 HD11 LEU 14 HD11 LEU 14 30.712 -6.275 2.980 101 HD12 LEU 14 HD12 LEU 14 31.199 -6.371 1.272 102 HD13 LEU 14 HD13 LEU 14 32.329 -6.882 2.550 103 HD21 LEU 14 HD21 LEU 14 31.684 -4.559 4.464 104 HD22 LEU 14 HD22 LEU 14 33.334 -5.112 4.087 105 HD23 LEU 14 HD23 LEU 14 32.888 -3.407 3.839 106 H ALA 15 H ALA 15 34.056 -3.473 -1.302 107 HA ALA 15 HA ALA 15 36.749 -4.232 -1.483 108 HB1 ALA 15 HB1 ALA 15 36.525 -3.781 -3.895 109 HB2 ALA 15 HB2 ALA 15 34.974 -2.968 -3.582 110 HB3 ALA 15 HB3 ALA 15 35.149 -4.707 -3.251 111 H ASP 16 H ASP 16 35.257 -1.056 -1.397 112 HA ASP 16 HA ASP 16 37.686 0.295 -2.217 113 HB2 ASP 16 HB2 ASP 16 34.947 1.010 -2.306 114 HB3 ASP 16 HB3 ASP 16 35.700 1.859 -0.933 115 H DAL 17 H DAL 17 37.161 -1.277 0.503 116 HA DAL 17 HA DAL 17 38.796 0.536 2.074 117 HB1 DAL 17 HB1 DAL 17 39.063 -1.372 3.606 118 HB2 DAL 17 HB2 DAL 17 39.485 -1.788 1.929 119 HB3 DAL 17 HB3 DAL 17 37.925 -2.310 2.610 120 H GLY 18 H GLY 18 35.483 -0.375 1.867 121 HA2 GLY 18 HA2 GLY 18 33.630 0.217 3.090 122 HA3 GLY 18 HA3 GLY 18 34.622 -0.141 4.523 123 H TRP 19 H TRP 19 35.229 1.496 5.806 124 HA TRP 19 HA TRP 19 34.094 4.067 5.434 125 HB2 TRP 19 HB2 TRP 19 35.912 2.832 7.484 126 HB3 TRP 19 HB3 TRP 19 35.743 4.603 7.444 127 HD1 TRP 19 HD1 TRP 19 34.220 1.648 8.958 128 HE1 TRP 19 HE1 TRP 19 31.904 2.206 9.932 129 HE3 TRP 19 HE3 TRP 19 33.461 6.176 6.707 130 HZ2 TRP 19 HZ2 TRP 19 30.007 4.290 9.768 131 HZ3 TRP 19 HZ3 TRP 19 31.373 7.387 7.170 132 HH2 TRP 19 HH2 TRP 19 29.679 6.462 8.666 133 H ALA 20 H ALA 20 37.192 2.714 4.595 134 HA ALA 20 HA ALA 20 38.352 5.340 4.076 135 HB1 ALA 20 HB1 ALA 20 40.388 4.090 3.479 136 HB2 ALA 20 HB2 ALA 20 39.505 2.565 3.722 137 HB3 ALA 20 HB3 ALA 20 39.786 3.659 5.097 138 H SER 21 H SER 21 36.056 4.762 2.549 139 HA SER 21 HA SER 21 37.048 4.070 -0.113 140 HB2 SER 21 HB2 SER 21 35.037 2.905 0.549 141 HB3 SER 21 HB3 SER 21 34.239 4.439 0.963 142 HG SER 21 HG SER 21 33.900 3.339 -1.246 Start of MODEL 8 1 H1 ARG 1 H1 ARG 1 32.270 7.743 1.153 2 H2 ARG 1 H2 ARG 1 32.074 8.633 2.345 3 H3 ARG 1 H3 ARG 1 32.621 7.248 2.525 4 HA ARG 1 HA ARG 1 29.866 7.949 2.668 5 HB2 ARG 1 HB2 ARG 1 28.919 6.387 1.007 6 HB3 ARG 1 HB3 ARG 1 29.812 7.750 0.292 7 HG2 ARG 1 HG2 ARG 1 31.616 6.382 -0.361 8 HG3 ARG 1 HG3 ARG 1 31.131 5.069 0.739 9 HD2 ARG 1 HD2 ARG 1 29.552 4.254 -0.708 10 HD3 ARG 1 HD3 ARG 1 29.186 5.859 -1.383 11 HE ARG 1 HE ARG 1 31.158 3.973 -2.322 12 HH11 ARG 1 HH11 ARG 1 30.158 7.329 -2.296 13 HH12 ARG 1 HH12 ARG 1 31.009 7.718 -3.778 14 HH21 ARG 1 HH21 ARG 1 32.270 4.475 -4.245 15 HH22 ARG 1 HH22 ARG 1 32.200 6.109 -4.876 16 HA PRO 2 HA PRO 2 30.252 4.441 5.377 17 HB2 PRO 2 HB2 PRO 2 27.782 4.515 6.518 18 HB3 PRO 2 HB3 PRO 2 28.988 5.765 6.854 19 HG2 PRO 2 HG2 PRO 2 26.608 5.857 5.001 20 HG3 PRO 2 HG3 PRO 2 27.269 7.127 6.039 21 HD2 PRO 2 HD2 PRO 2 27.750 6.917 3.279 22 HD3 PRO 2 HD3 PRO 2 28.761 7.838 4.400 23 HA PRO 3 HA PRO 3 28.543 0.749 3.661 24 HB2 PRO 3 HB2 PRO 3 27.211 -0.440 5.828 25 HB3 PRO 3 HB3 PRO 3 28.945 -0.583 5.507 26 HG2 PRO 3 HG2 PRO 3 27.499 1.249 7.409 27 HG3 PRO 3 HG3 PRO 3 29.055 0.430 7.601 28 HD2 PRO 3 HD2 PRO 3 28.922 3.084 7.002 29 HD3 PRO 3 HD3 PRO 3 30.225 2.072 6.366 30 HA PRO 4 HA PRO 4 24.311 2.136 2.861 31 HB2 PRO 4 HB2 PRO 4 24.192 1.377 0.260 32 HB3 PRO 4 HB3 PRO 4 25.098 2.813 0.754 33 HG2 PRO 4 HG2 PRO 4 26.122 0.031 0.127 34 HG3 PRO 4 HG3 PRO 4 26.805 1.599 -0.325 35 HD2 PRO 4 HD2 PRO 4 27.732 0.084 1.818 36 HD3 PRO 4 HD3 PRO 4 27.921 1.839 1.720 37 H SER 5 H SER 5 22.459 1.058 3.164 38 HA SER 5 HA SER 5 22.303 -1.622 3.833 39 HB2 SER 5 HB2 SER 5 20.149 0.240 2.804 40 HB3 SER 5 HB3 SER 5 19.822 -1.373 3.478 41 HG SER 5 HG SER 5 19.638 0.305 5.060 42 H ASP 6 H ASP 6 21.119 -0.173 0.779 43 HA ASP 6 HA ASP 6 20.337 -2.333 -0.632 44 HB2 ASP 6 HB2 ASP 6 20.455 0.099 -1.514 45 HB3 ASP 6 HB3 ASP 6 22.182 -0.301 -1.688 46 H AIB 7 H AIB 7 21.171 -4.117 -1.548 47 HB11 AIB 7 HB11 AIB 7 24.679 -5.990 -0.535 48 HB12 AIB 7 HB12 AIB 7 24.389 -4.338 0.060 49 HB13 AIB 7 HB13 AIB 7 23.221 -5.631 0.418 50 HB21 AIB 7 HB21 AIB 7 22.101 -6.750 -1.379 51 HB22 AIB 7 HB22 AIB 7 23.024 -6.679 -2.823 52 HB23 AIB 7 HB23 AIB 7 21.537 -5.832 -2.713 53 H ALA 8 H ALA 8 22.694 -3.611 -3.803 54 HA ALA 8 HA ALA 8 24.940 -4.288 -5.316 55 HB1 ALA 8 HB1 ALA 8 24.358 -2.378 -6.757 56 HB2 ALA 8 HB2 ALA 8 23.223 -1.804 -5.513 57 HB3 ALA 8 HB3 ALA 8 22.936 -3.359 -6.330 58 H ALA 9 H ALA 9 24.345 -1.247 -3.523 59 HA ALA 9 HA ALA 9 26.883 -0.155 -4.172 60 HB1 ALA 9 HB1 ALA 9 26.343 1.598 -2.535 61 HB2 ALA 9 HB2 ALA 9 24.942 0.643 -1.997 62 HB3 ALA 9 HB3 ALA 9 24.996 1.286 -3.655 63 H TYR 10 H TYR 10 25.735 -2.175 -1.553 64 HA TYR 10 HA TYR 10 27.749 -1.669 0.332 65 HB2 TYR 10 HB2 TYR 10 25.582 -2.963 0.630 66 HB3 TYR 10 HB3 TYR 10 26.446 -4.346 -0.084 67 HD1 TYR 10 HD1 TYR 10 26.823 -1.825 2.674 68 HD2 TYR 10 HD2 TYR 10 27.587 -5.798 1.359 69 HE1 TYR 10 HE1 TYR 10 27.775 -2.365 4.875 70 HE2 TYR 10 HE2 TYR 10 28.547 -6.345 3.556 71 HH TYR 10 HH TYR 10 28.063 -5.013 6.160 72 H ALA 11 H ALA 11 27.694 -3.707 -2.528 73 HA ALA 11 HA ALA 11 30.026 -5.217 -1.933 74 HB1 ALA 11 HB1 ALA 11 29.979 -5.855 -4.310 75 HB2 ALA 11 HB2 ALA 11 28.719 -4.632 -4.598 76 HB3 ALA 11 HB3 ALA 11 28.383 -6.022 -3.540 77 H GLN 12 H GLN 12 29.471 -2.419 -4.095 78 HA GLN 12 HA GLN 12 32.157 -2.052 -4.842 79 HB2 GLN 12 HB2 GLN 12 29.912 -0.990 -5.701 80 HB3 GLN 12 HB3 GLN 12 30.326 0.283 -4.528 81 HG2 GLN 12 HG2 GLN 12 32.212 -0.447 -6.944 82 HG3 GLN 12 HG3 GLN 12 30.904 0.731 -6.685 83 HE21 GLN 12 HE22 GLN 12 34.229 -0.070 -6.149 84 HE22 GLN 12 HE21 GLN 12 34.663 1.357 -5.267 85 H TRP 13 H TRP 13 30.290 -0.874 -2.099 86 HA TRP 13 HA TRP 13 32.038 1.014 -1.043 87 HB2 TRP 13 HB2 TRP 13 29.739 0.673 -0.189 88 HB3 TRP 13 HB3 TRP 13 30.213 -0.919 0.450 89 HD1 TRP 13 HD1 TRP 13 30.934 2.833 1.042 90 HE1 TRP 13 HE1 TRP 13 31.571 3.110 3.522 91 HE3 TRP 13 HE3 TRP 13 31.004 -2.086 2.410 92 HZ2 TRP 13 HZ2 TRP 13 32.037 1.456 5.764 93 HZ3 TRP 13 HZ3 TRP 13 31.557 -2.660 4.740 94 HH2 TRP 13 HH2 TRP 13 32.063 -0.921 6.381 95 H LEU 14 H LEU 14 31.888 -2.501 -0.485 96 HA LEU 14 HA LEU 14 34.040 -2.669 1.332 97 HB2 LEU 14 HB2 LEU 14 32.883 -4.519 -0.629 98 HB3 LEU 14 HB3 LEU 14 34.122 -5.142 0.486 99 HG LEU 14 HG LEU 14 31.395 -4.048 1.292 100 HD11 LEU 14 HD11 LEU 14 30.876 -6.363 1.904 101 HD12 LEU 14 HD12 LEU 14 31.222 -6.204 0.166 102 HD13 LEU 14 HD13 LEU 14 32.452 -6.881 1.260 103 HD21 LEU 14 HD21 LEU 14 31.957 -4.863 3.536 104 HD22 LEU 14 HD22 LEU 14 33.572 -5.339 2.956 105 HD23 LEU 14 HD23 LEU 14 33.110 -3.621 2.991 106 H ALA 15 H ALA 15 33.872 -2.952 -2.194 107 HA ALA 15 HA ALA 15 36.532 -3.673 -2.689 108 HB1 ALA 15 HB1 ALA 15 36.131 -2.885 -4.987 109 HB2 ALA 15 HB2 ALA 15 34.619 -2.123 -4.443 110 HB3 ALA 15 HB3 ALA 15 34.797 -3.892 -4.376 111 H ASP 16 H ASP 16 35.077 -0.529 -2.103 112 HA ASP 16 HA ASP 16 37.432 0.933 -2.911 113 HB2 ASP 16 HB2 ASP 16 34.676 1.642 -2.443 114 HB3 ASP 16 HB3 ASP 16 35.743 2.383 -1.225 115 H DAL 17 H DAL 17 36.778 -0.888 -0.210 116 HA DAL 17 HA DAL 17 38.663 0.690 1.404 117 HB1 DAL 17 HB1 DAL 17 39.248 -1.430 2.511 118 HB2 DAL 17 HB2 DAL 17 39.525 -1.484 0.755 119 HB3 DAL 17 HB3 DAL 17 38.096 -2.280 1.454 120 H GLY 18 H GLY 18 35.451 0.346 1.224 121 HA2 GLY 18 HA2 GLY 18 33.687 0.502 2.686 122 HA3 GLY 18 HA3 GLY 18 34.665 -0.434 3.840 123 H TRP 19 H TRP 19 35.222 0.573 5.652 124 HA TRP 19 HA TRP 19 34.565 3.313 6.072 125 HB2 TRP 19 HB2 TRP 19 35.900 1.189 7.764 126 HB3 TRP 19 HB3 TRP 19 35.812 2.878 8.318 127 HD1 TRP 19 HD1 TRP 19 33.993 -0.241 8.605 128 HE1 TRP 19 HE1 TRP 19 31.564 0.156 9.359 129 HE3 TRP 19 HE3 TRP 19 33.680 4.786 7.725 130 HZ2 TRP 19 HZ2 TRP 19 29.757 2.314 9.555 131 HZ3 TRP 19 HZ3 TRP 19 31.566 5.940 8.221 132 HH2 TRP 19 HH2 TRP 19 29.645 4.729 9.117 133 H ALA 20 H ALA 20 37.517 1.593 5.287 134 HA ALA 20 HA ALA 20 39.128 4.005 5.654 135 HB1 ALA 20 HB1 ALA 20 41.052 2.544 5.175 136 HB2 ALA 20 HB2 ALA 20 39.936 1.188 4.895 137 HB3 ALA 20 HB3 ALA 20 40.056 1.922 6.512 138 H SER 21 H SER 21 37.184 4.203 3.640 139 HA SER 21 HA SER 21 38.611 3.824 1.117 140 HB2 SER 21 HB2 SER 21 36.300 3.064 1.157 141 HB3 SER 21 HB3 SER 21 35.757 4.670 1.696 142 HG SER 21 HG SER 21 37.024 4.074 -0.792 Start of MODEL 9 1 H1 ARG 1 H1 ARG 1 32.520 8.033 1.242 2 H2 ARG 1 H2 ARG 1 32.097 9.012 2.297 3 H3 ARG 1 H3 ARG 1 32.607 7.658 2.692 4 HA ARG 1 HA ARG 1 29.872 8.311 2.256 5 HB2 ARG 1 HB2 ARG 1 29.273 6.577 0.588 6 HB3 ARG 1 HB3 ARG 1 30.236 7.926 -0.059 7 HG2 ARG 1 HG2 ARG 1 32.223 6.573 -0.128 8 HG3 ARG 1 HG3 ARG 1 31.422 5.257 0.765 9 HD2 ARG 1 HD2 ARG 1 30.204 4.565 -1.075 10 HD3 ARG 1 HD3 ARG 1 30.224 6.176 -1.829 11 HE ARG 1 HE ARG 1 32.168 4.078 -2.142 12 HH11 ARG 1 HH11 ARG 1 31.629 7.533 -2.328 13 HH12 ARG 1 HH12 ARG 1 32.942 7.798 -3.458 14 HH21 ARG 1 HH21 ARG 1 33.874 4.417 -3.613 15 HH22 ARG 1 HH22 ARG 1 34.207 6.041 -4.182 16 HA PRO 2 HA PRO 2 29.803 5.018 5.253 17 HB2 PRO 2 HB2 PRO 2 27.239 5.284 6.089 18 HB3 PRO 2 HB3 PRO 2 28.439 6.537 6.436 19 HG2 PRO 2 HG2 PRO 2 26.292 6.486 4.310 20 HG3 PRO 2 HG3 PRO 2 26.860 7.842 5.293 21 HD2 PRO 2 HD2 PRO 2 27.669 7.332 2.643 22 HD3 PRO 2 HD3 PRO 2 28.547 8.366 3.777 23 HA PRO 3 HA PRO 3 28.341 1.220 3.519 24 HB2 PRO 3 HB2 PRO 3 26.694 0.759 5.985 25 HB3 PRO 3 HB3 PRO 3 27.934 -0.275 5.262 26 HG2 PRO 3 HG2 PRO 3 28.366 1.228 7.505 27 HG3 PRO 3 HG3 PRO 3 29.657 0.781 6.383 28 HD2 PRO 3 HD2 PRO 3 28.410 3.444 6.834 29 HD3 PRO 3 HD3 PRO 3 29.968 3.052 6.096 30 HA PRO 4 HA PRO 4 24.288 2.676 2.132 31 HB2 PRO 4 HB2 PRO 4 24.317 1.497 -0.312 32 HB3 PRO 4 HB3 PRO 4 25.297 2.929 0.030 33 HG2 PRO 4 HG2 PRO 4 26.131 0.016 -0.032 34 HG3 PRO 4 HG3 PRO 4 26.967 1.429 -0.689 35 HD2 PRO 4 HD2 PRO 4 27.634 0.270 1.741 36 HD3 PRO 4 HD3 PRO 4 27.934 1.974 1.377 37 H SER 5 H SER 5 22.251 1.784 2.056 38 HA SER 5 HA SER 5 21.783 -0.679 3.302 39 HB2 SER 5 HB2 SER 5 19.954 1.031 1.598 40 HB3 SER 5 HB3 SER 5 19.409 -0.375 2.541 41 HG SER 5 HG SER 5 19.152 1.617 3.688 42 H ASP 6 H ASP 6 21.438 0.191 -0.143 43 HA ASP 6 HA ASP 6 20.417 -2.146 -1.144 44 HB2 ASP 6 HB2 ASP 6 22.430 -0.263 -2.503 45 HB3 ASP 6 HB3 ASP 6 21.608 -1.691 -3.179 46 H AIB 7 H AIB 7 21.294 -4.025 -2.118 47 HB11 AIB 7 HB11 AIB 7 24.378 -6.089 -0.165 48 HB12 AIB 7 HB12 AIB 7 24.251 -4.337 0.114 49 HB13 AIB 7 HB13 AIB 7 22.905 -5.410 0.564 50 HB21 AIB 7 HB21 AIB 7 21.878 -6.761 -1.138 51 HB22 AIB 7 HB22 AIB 7 22.762 -6.912 -2.599 52 HB23 AIB 7 HB23 AIB 7 21.365 -5.921 -2.541 53 H ALA 8 H ALA 8 23.098 -4.119 -3.965 54 HA ALA 8 HA ALA 8 25.498 -5.195 -4.936 55 HB1 ALA 8 HB1 ALA 8 25.277 -3.586 -6.786 56 HB2 ALA 8 HB2 ALA 8 24.002 -2.741 -5.878 57 HB3 ALA 8 HB3 ALA 8 23.743 -4.414 -6.428 58 H ALA 9 H ALA 9 24.832 -1.858 -3.828 59 HA ALA 9 HA ALA 9 27.478 -0.968 -4.279 60 HB1 ALA 9 HB1 ALA 9 26.818 1.054 -3.044 61 HB2 ALA 9 HB2 ALA 9 25.311 0.243 -2.558 62 HB3 ALA 9 HB3 ALA 9 25.620 0.590 -4.275 63 H TYR 10 H TYR 10 25.918 -2.460 -1.515 64 HA TYR 10 HA TYR 10 27.709 -1.686 0.501 65 HB2 TYR 10 HB2 TYR 10 25.474 -2.812 0.773 66 HB3 TYR 10 HB3 TYR 10 26.279 -4.336 0.326 67 HD1 TYR 10 HD2 TYR 10 26.290 -1.604 2.868 68 HD2 TYR 10 HD1 TYR 10 27.435 -5.598 1.967 69 HE1 TYR 10 HE2 TYR 10 26.926 -1.943 5.217 70 HE2 TYR 10 HE1 TYR 10 28.083 -5.946 4.315 71 HH TYR 10 HH TYR 10 28.808 -3.853 6.355 72 H ALA 11 H ALA 11 27.901 -4.244 -1.916 73 HA ALA 11 HA ALA 11 30.092 -5.638 -0.758 74 HB1 ALA 11 HB1 ALA 11 30.271 -6.762 -2.941 75 HB2 ALA 11 HB2 ALA 11 29.100 -5.608 -3.617 76 HB3 ALA 11 HB3 ALA 11 28.597 -6.738 -2.338 77 H GLN 12 H GLN 12 29.884 -3.371 -3.517 78 HA GLN 12 HA GLN 12 32.639 -3.211 -4.022 79 HB2 GLN 12 HB2 GLN 12 30.541 -2.327 -5.330 80 HB3 GLN 12 HB3 GLN 12 30.873 -0.837 -4.416 81 HG2 GLN 12 HG2 GLN 12 32.259 -0.556 -6.579 82 HG3 GLN 12 HG3 GLN 12 33.111 -1.043 -5.095 83 HE21 GLN 12 HE22 GLN 12 34.816 -2.169 -5.879 84 HE22 GLN 12 HE21 GLN 12 34.690 -3.559 -6.906 85 H TRP 13 H TRP 13 30.561 -1.499 -1.762 86 HA TRP 13 HA TRP 13 32.253 0.569 -0.971 87 HB2 TRP 13 HB2 TRP 13 29.888 0.447 -0.269 88 HB3 TRP 13 HB3 TRP 13 30.244 -0.998 0.706 89 HD1 TRP 13 HD1 TRP 13 30.882 2.799 0.658 90 HE1 TRP 13 HE1 TRP 13 31.395 3.531 3.073 91 HE3 TRP 13 HE3 TRP 13 31.058 -1.790 2.870 92 HZ2 TRP 13 HZ2 TRP 13 31.819 2.317 5.588 93 HZ3 TRP 13 HZ3 TRP 13 31.530 -1.930 5.283 94 HH2 TRP 13 HH2 TRP 13 31.903 0.084 6.612 95 H LEU 14 H LEU 14 32.024 -2.784 0.198 96 HA LEU 14 HA LEU 14 34.003 -2.591 2.213 97 HB2 LEU 14 HB2 LEU 14 33.005 -4.788 0.541 98 HB3 LEU 14 HB3 LEU 14 34.128 -5.176 1.865 99 HG LEU 14 HG LEU 14 31.347 -3.974 2.190 100 HD11 LEU 14 HD11 LEU 14 30.755 -6.137 3.180 101 HD12 LEU 14 HD12 LEU 14 31.264 -6.308 1.483 102 HD13 LEU 14 HD13 LEU 14 32.381 -6.751 2.797 103 HD21 LEU 14 HD21 LEU 14 31.698 -4.344 4.592 104 HD22 LEU 14 HD22 LEU 14 33.354 -4.908 4.262 105 HD23 LEU 14 HD23 LEU 14 32.906 -3.218 3.928 106 H ALA 15 H ALA 15 34.116 -3.537 -1.197 107 HA ALA 15 HA ALA 15 36.766 -4.377 -1.361 108 HB1 ALA 15 HB1 ALA 15 36.588 -3.927 -3.775 109 HB2 ALA 15 HB2 ALA 15 35.076 -3.037 -3.480 110 HB3 ALA 15 HB3 ALA 15 35.163 -4.781 -3.138 111 H ASP 16 H ASP 16 35.443 -1.117 -1.354 112 HA ASP 16 HA ASP 16 37.994 0.056 -2.098 113 HB2 ASP 16 HB2 ASP 16 35.287 0.929 -2.350 114 HB3 ASP 16 HB3 ASP 16 36.085 1.837 -1.043 115 H DAL 17 H DAL 17 37.344 -1.398 0.595 116 HA DAL 17 HA DAL 17 38.945 0.384 2.208 117 HB1 DAL 17 HB1 DAL 17 38.964 -1.455 3.841 118 HB2 DAL 17 HB2 DAL 17 39.451 -1.990 2.216 119 HB3 DAL 17 HB3 DAL 17 37.817 -2.354 2.820 120 H GLY 18 H GLY 18 35.584 -0.333 1.862 121 HA2 GLY 18 HA2 GLY 18 33.710 0.441 2.943 122 HA3 GLY 18 HA3 GLY 18 34.612 0.148 4.448 123 H TRP 19 H TRP 19 35.340 1.843 5.603 124 HA TRP 19 HA TRP 19 34.348 4.440 4.985 125 HB2 TRP 19 HB2 TRP 19 36.149 3.379 7.186 126 HB3 TRP 19 HB3 TRP 19 35.716 5.100 7.060 127 HD1 TRP 19 HD1 TRP 19 34.527 1.904 8.491 128 HE1 TRP 19 HE1 TRP 19 32.143 2.180 9.423 129 HE3 TRP 19 HE3 TRP 19 33.354 6.417 6.396 130 HZ2 TRP 19 HZ2 TRP 19 30.043 4.064 9.287 131 HZ3 TRP 19 HZ3 TRP 19 31.140 7.388 6.846 132 HH2 TRP 19 HH2 TRP 19 29.519 6.234 8.261 133 H ALA 20 H ALA 20 37.464 2.860 4.629 134 HA ALA 20 HA ALA 20 39.025 5.173 4.163 135 HB1 ALA 20 HB1 ALA 20 40.674 3.629 3.185 136 HB2 ALA 20 HB2 ALA 20 39.460 2.331 3.226 137 HB3 ALA 20 HB3 ALA 20 40.049 3.045 4.745 138 H SER 21 H SER 21 36.647 3.634 2.243 139 HA SER 21 HA SER 21 37.494 3.944 -0.355 140 HB2 SER 21 HB2 SER 21 35.364 2.882 0.276 141 HB3 SER 21 HB3 SER 21 34.708 4.477 0.711 142 HG SER 21 HG SER 21 34.326 3.521 -1.537 Start of MODEL 10 1 H1 ARG 1 H1 ARG 1 32.635 7.490 1.382 2 H2 ARG 1 H2 ARG 1 32.409 8.454 2.509 3 H3 ARG 1 H3 ARG 1 32.741 7.021 2.803 4 HA ARG 1 HA ARG 1 30.106 8.073 2.549 5 HB2 ARG 1 HB2 ARG 1 29.162 6.660 0.818 6 HB3 ARG 1 HB3 ARG 1 30.436 7.723 0.177 7 HG2 ARG 1 HG2 ARG 1 31.696 5.296 0.944 8 HG3 ARG 1 HG3 ARG 1 30.224 4.845 0.050 9 HD2 ARG 1 HD2 ARG 1 32.195 6.901 -0.981 10 HD3 ARG 1 HD3 ARG 1 32.355 5.163 -1.328 11 HE ARG 1 HE ARG 1 30.356 5.269 -2.593 12 HH11 ARG 1 HH11 ARG 1 31.392 8.417 -1.444 13 HH12 ARG 1 HH12 ARG 1 30.412 9.291 -2.604 14 HH21 ARG 1 HH21 ARG 1 29.090 6.404 -4.098 15 HH22 ARG 1 HH22 ARG 1 29.116 8.157 -4.099 16 HA PRO 2 HA PRO 2 29.839 4.809 5.608 17 HB2 PRO 2 HB2 PRO 2 26.928 5.384 5.707 18 HB3 PRO 2 HB3 PRO 2 28.137 5.569 6.984 19 HG2 PRO 2 HG2 PRO 2 27.008 7.701 5.728 20 HG3 PRO 2 HG3 PRO 2 28.656 7.747 6.368 21 HD2 PRO 2 HD2 PRO 2 27.736 7.435 3.501 22 HD3 PRO 2 HD3 PRO 2 29.139 8.304 4.137 23 HA PRO 3 HA PRO 3 28.462 1.134 3.571 24 HB2 PRO 3 HB2 PRO 3 26.950 -0.060 5.649 25 HB3 PRO 3 HB3 PRO 3 28.687 -0.270 5.388 26 HG2 PRO 3 HG2 PRO 3 27.251 1.568 7.282 27 HG3 PRO 3 HG3 PRO 3 28.784 0.712 7.490 28 HD2 PRO 3 HD2 PRO 3 28.738 3.374 6.964 29 HD3 PRO 3 HD3 PRO 3 30.013 2.348 6.295 30 HA PRO 4 HA PRO 4 24.295 2.406 2.421 31 HB2 PRO 4 HB2 PRO 4 24.316 1.419 -0.104 32 HB3 PRO 4 HB3 PRO 4 25.231 2.873 0.318 33 HG2 PRO 4 HG2 PRO 4 26.212 0.023 0.004 34 HG3 PRO 4 HG3 PRO 4 26.967 1.528 -0.538 35 HD2 PRO 4 HD2 PRO 4 27.713 0.186 1.786 36 HD3 PRO 4 HD3 PRO 4 27.966 1.919 1.543 37 H SER 5 H SER 5 22.376 1.397 2.614 38 HA SER 5 HA SER 5 22.125 -1.223 3.515 39 HB2 SER 5 HB2 SER 5 20.076 0.597 2.228 40 HB3 SER 5 HB3 SER 5 19.676 -0.953 3.003 41 HG SER 5 HG SER 5 19.445 0.845 4.441 42 H ASP 6 H ASP 6 21.353 0.046 0.259 43 HA ASP 6 HA ASP 6 20.467 -2.196 -1.000 44 HB2 ASP 6 HB2 ASP 6 20.769 0.126 -2.093 45 HB3 ASP 6 HB3 ASP 6 22.481 -0.363 -2.105 46 H AIB 7 H AIB 7 21.254 -4.083 -1.756 47 HB11 AIB 7 HB11 AIB 7 24.585 -6.098 -0.383 48 HB12 AIB 7 HB12 AIB 7 24.367 -4.403 0.113 49 HB13 AIB 7 HB13 AIB 7 23.103 -5.604 0.467 50 HB21 AIB 7 HB21 AIB 7 22.061 -6.770 -1.302 51 HB22 AIB 7 HB22 AIB 7 22.968 -6.787 -2.758 52 HB23 AIB 7 HB23 AIB 7 21.520 -5.874 -2.660 53 H ALA 8 H ALA 8 22.927 -3.879 -3.929 54 HA ALA 8 HA ALA 8 25.261 -4.725 -5.207 55 HB1 ALA 8 HB1 ALA 8 24.832 -2.931 -6.839 56 HB2 ALA 8 HB2 ALA 8 23.627 -2.234 -5.733 57 HB3 ALA 8 HB3 ALA 8 23.358 -3.845 -6.440 58 H ALA 9 H ALA 9 24.610 -1.560 -3.671 59 HA ALA 9 HA ALA 9 27.192 -0.535 -4.261 60 HB1 ALA 9 HB1 ALA 9 26.585 1.334 -2.782 61 HB2 ALA 9 HB2 ALA 9 25.145 0.432 -2.256 62 HB3 ALA 9 HB3 ALA 9 25.297 0.955 -3.950 63 H TYR 10 H TYR 10 25.868 -2.320 -1.544 64 HA TYR 10 HA TYR 10 27.801 -1.705 0.385 65 HB2 TYR 10 HB2 TYR 10 25.598 -2.931 0.682 66 HB3 TYR 10 HB3 TYR 10 26.462 -4.383 0.121 67 HD1 TYR 10 HD1 TYR 10 26.649 -1.692 2.726 68 HD2 TYR 10 HD2 TYR 10 27.627 -5.700 1.685 69 HE1 TYR 10 HE1 TYR 10 27.488 -2.072 5.004 70 HE2 TYR 10 HE2 TYR 10 28.472 -6.089 3.964 71 HH TYR 10 HH TYR 10 27.794 -4.655 6.448 72 H ALA 11 H ALA 11 27.856 -3.959 -2.307 73 HA ALA 11 HA ALA 11 30.123 -5.456 -1.459 74 HB1 ALA 11 HB1 ALA 11 30.183 -6.297 -3.771 75 HB2 ALA 11 HB2 ALA 11 28.963 -5.086 -4.229 76 HB3 ALA 11 HB3 ALA 11 28.548 -6.373 -3.072 77 H GLN 12 H GLN 12 29.737 -2.862 -3.895 78 HA GLN 12 HA GLN 12 32.463 -2.605 -4.525 79 HB2 GLN 12 HB2 GLN 12 30.286 -1.605 -5.603 80 HB3 GLN 12 HB3 GLN 12 30.658 -0.229 -4.538 81 HG2 GLN 12 HG2 GLN 12 31.942 0.357 -6.685 82 HG3 GLN 12 HG3 GLN 12 32.880 -0.383 -5.367 83 HE21 GLN 12 HE22 GLN 12 34.399 -1.663 -6.204 84 HE22 GLN 12 HE21 GLN 12 34.180 -2.769 -7.519 85 H TRP 13 H TRP 13 30.500 -1.222 -1.965 86 HA TRP 13 HA TRP 13 32.222 0.763 -1.014 87 HB2 TRP 13 HB2 TRP 13 29.892 0.560 -0.240 88 HB3 TRP 13 HB3 TRP 13 30.269 -1.003 0.522 89 HD1 TRP 13 HD1 TRP 13 31.138 2.750 0.914 90 HE1 TRP 13 HE1 TRP 13 31.625 3.157 3.410 91 HE3 TRP 13 HE3 TRP 13 30.854 -2.063 2.601 92 HZ2 TRP 13 HZ2 TRP 13 31.854 1.644 5.781 93 HZ3 TRP 13 HZ3 TRP 13 31.225 -2.506 4.994 94 HH2 TRP 13 HH2 TRP 13 31.714 -0.686 6.550 95 H LEU 14 H LEU 14 31.964 -2.681 -0.129 96 HA LEU 14 HA LEU 14 34.022 -2.731 1.792 97 HB2 LEU 14 HB2 LEU 14 32.942 -4.719 -0.077 98 HB3 LEU 14 HB3 LEU 14 34.106 -5.265 1.152 99 HG LEU 14 HG LEU 14 31.354 -4.084 1.702 100 HD11 LEU 14 HD11 LEU 14 30.778 -6.329 2.497 101 HD12 LEU 14 HD12 LEU 14 31.224 -6.335 0.775 102 HD13 LEU 14 HD13 LEU 14 32.383 -6.911 1.996 103 HD21 LEU 14 HD21 LEU 14 31.779 -4.686 4.042 104 HD22 LEU 14 HD22 LEU 14 33.422 -5.216 3.604 105 HD23 LEU 14 HD23 LEU 14 32.969 -3.502 3.450 106 H ALA 15 H ALA 15 34.035 -3.271 -1.705 107 HA ALA 15 HA ALA 15 36.690 -4.092 -2.013 108 HB1 ALA 15 HB1 ALA 15 36.432 -3.441 -4.373 109 HB2 ALA 15 HB2 ALA 15 34.920 -2.601 -3.958 110 HB3 ALA 15 HB3 ALA 15 35.036 -4.367 -3.771 111 H ASP 16 H ASP 16 35.333 -0.866 -1.666 112 HA ASP 16 HA ASP 16 37.851 0.399 -2.380 113 HB2 ASP 16 HB2 ASP 16 35.153 1.264 -2.537 114 HB3 ASP 16 HB3 ASP 16 35.910 2.029 -1.118 115 H DAL 17 H DAL 17 37.250 -1.276 0.212 116 HA DAL 17 HA DAL 17 38.832 0.447 1.937 117 HB1 DAL 17 HB1 DAL 17 39.081 -1.550 3.351 118 HB2 DAL 17 HB2 DAL 17 39.549 -1.852 1.662 119 HB3 DAL 17 HB3 DAL 17 37.981 -2.435 2.268 120 H GLY 18 H GLY 18 35.541 -0.171 1.501 121 HA2 GLY 18 HA2 GLY 18 33.662 0.344 2.719 122 HA3 GLY 18 HA3 GLY 18 34.544 -0.294 4.126 123 H TRP 19 H TRP 19 35.039 1.086 5.701 124 HA TRP 19 HA TRP 19 34.179 3.773 5.626 125 HB2 TRP 19 HB2 TRP 19 35.824 2.165 7.589 126 HB3 TRP 19 HB3 TRP 19 35.557 3.908 7.829 127 HD1 TRP 19 HD1 TRP 19 34.097 0.677 8.695 128 HE1 TRP 19 HE1 TRP 19 31.686 0.959 9.550 129 HE3 TRP 19 HE3 TRP 19 33.248 5.478 7.160 130 HZ2 TRP 19 HZ2 TRP 19 29.690 2.953 9.571 131 HZ3 TRP 19 HZ3 TRP 19 31.060 6.499 7.636 132 HH2 TRP 19 HH2 TRP 19 29.319 5.261 8.816 133 H ALA 20 H ALA 20 37.268 2.260 4.970 134 HA ALA 20 HA ALA 20 38.643 4.829 4.838 135 HB1 ALA 20 HB1 ALA 20 40.657 3.488 4.381 136 HB2 ALA 20 HB2 ALA 20 39.659 2.016 4.376 137 HB3 ALA 20 HB3 ALA 20 39.829 2.969 5.868 138 H SER 21 H SER 21 36.566 4.668 3.000 139 HA SER 21 HA SER 21 37.791 4.027 0.422 140 HB2 SER 21 HB2 SER 21 35.593 3.129 0.638 141 HB3 SER 21 HB3 SER 21 34.952 4.674 1.245 142 HG SER 21 HG SER 21 36.094 4.430 -1.344 Start of MODEL 11 1 H1 ARG 1 H1 ARG 1 31.978 7.617 1.428 2 H2 ARG 1 H2 ARG 1 31.822 8.453 2.664 3 H3 ARG 1 H3 ARG 1 32.246 7.018 2.777 4 HA ARG 1 HA ARG 1 29.556 7.942 2.889 5 HB2 ARG 1 HB2 ARG 1 28.572 6.451 1.127 6 HB3 ARG 1 HB3 ARG 1 29.444 7.889 0.546 7 HG2 ARG 1 HG2 ARG 1 31.107 6.661 -0.435 8 HG3 ARG 1 HG3 ARG 1 31.008 5.362 0.778 9 HD2 ARG 1 HD2 ARG 1 29.531 4.171 -0.450 10 HD3 ARG 1 HD3 ARG 1 28.595 5.619 -0.892 11 HE ARG 1 HE ARG 1 30.691 4.359 -2.417 12 HH11 ARG 1 HH11 ARG 1 28.924 7.333 -1.873 13 HH12 ARG 1 HH12 ARG 1 29.264 7.967 -3.472 14 HH21 ARG 1 HH21 ARG 1 31.135 5.179 -4.495 15 HH22 ARG 1 HH22 ARG 1 30.511 6.753 -4.949 16 HA PRO 2 HA PRO 2 29.874 4.434 5.678 17 HB2 PRO 2 HB2 PRO 2 26.986 4.985 6.191 18 HB3 PRO 2 HB3 PRO 2 28.335 4.958 7.335 19 HG2 PRO 2 HG2 PRO 2 27.178 7.278 6.559 20 HG3 PRO 2 HG3 PRO 2 28.905 7.184 6.932 21 HD2 PRO 2 HD2 PRO 2 27.547 7.309 4.228 22 HD3 PRO 2 HD3 PRO 2 29.077 8.029 4.744 23 HA PRO 3 HA PRO 3 28.398 0.835 3.603 24 HB2 PRO 3 HB2 PRO 3 26.939 0.077 6.116 25 HB3 PRO 3 HB3 PRO 3 28.111 -0.859 5.178 26 HG2 PRO 3 HG2 PRO 3 28.733 0.393 7.533 27 HG3 PRO 3 HG3 PRO 3 29.924 0.072 6.265 28 HD2 PRO 3 HD2 PRO 3 28.770 2.667 7.119 29 HD3 PRO 3 HD3 PRO 3 30.221 2.356 6.156 30 HA PRO 4 HA PRO 4 24.232 2.306 2.632 31 HB2 PRO 4 HB2 PRO 4 24.145 1.379 0.074 32 HB3 PRO 4 HB3 PRO 4 25.072 2.823 0.507 33 HG2 PRO 4 HG2 PRO 4 26.045 -0.016 0.087 34 HG3 PRO 4 HG3 PRO 4 26.772 1.503 -0.453 35 HD2 PRO 4 HD2 PRO 4 27.646 0.134 1.787 36 HD3 PRO 4 HD3 PRO 4 27.818 1.885 1.613 37 H SER 5 H SER 5 22.226 1.352 2.577 38 HA SER 5 HA SER 5 21.919 -1.274 3.520 39 HB2 SER 5 HB2 SER 5 19.933 0.604 2.220 40 HB3 SER 5 HB3 SER 5 19.487 -0.945 2.970 41 HG SER 5 HG SER 5 19.274 0.842 4.428 42 H ASP 6 H ASP 6 20.986 0.013 0.310 43 HA ASP 6 HA ASP 6 20.216 -2.215 -0.997 44 HB2 ASP 6 HB2 ASP 6 20.422 0.131 -2.042 45 HB3 ASP 6 HB3 ASP 6 22.156 -0.274 -2.058 46 H AIB 7 H AIB 7 21.056 -4.044 -1.844 47 HB11 AIB 7 HB11 AIB 7 24.455 -5.968 -0.521 48 HB12 AIB 7 HB12 AIB 7 24.189 -4.281 -0.021 49 HB13 AIB 7 HB13 AIB 7 22.967 -5.521 0.346 50 HB21 AIB 7 HB21 AIB 7 21.935 -6.722 -1.447 51 HB22 AIB 7 HB22 AIB 7 22.855 -6.692 -2.895 52 HB23 AIB 7 HB23 AIB 7 21.380 -5.823 -2.798 53 H ALA 8 H ALA 8 22.727 -3.677 -3.978 54 HA ALA 8 HA ALA 8 25.063 -4.465 -5.314 55 HB1 ALA 8 HB1 ALA 8 24.600 -2.592 -6.860 56 HB2 ALA 8 HB2 ALA 8 23.408 -1.947 -5.709 57 HB3 ALA 8 HB3 ALA 8 23.129 -3.522 -6.488 58 H ALA 9 H ALA 9 24.414 -1.392 -3.596 59 HA ALA 9 HA ALA 9 26.974 -0.316 -4.199 60 HB1 ALA 9 HB1 ALA 9 26.374 1.483 -2.635 61 HB2 ALA 9 HB2 ALA 9 24.952 0.543 -2.125 62 HB3 ALA 9 HB3 ALA 9 25.072 1.137 -3.798 63 H TYR 10 H TYR 10 25.735 -2.260 -1.569 64 HA TYR 10 HA TYR 10 27.679 -1.702 0.381 65 HB2 TYR 10 HB2 TYR 10 25.586 -2.858 0.862 66 HB3 TYR 10 HB3 TYR 10 26.125 -4.244 -0.118 67 HD1 TYR 10 HD1 TYR 10 26.968 -2.285 2.947 68 HD2 TYR 10 HD2 TYR 10 27.379 -5.983 0.889 69 HE1 TYR 10 HE1 TYR 10 28.025 -3.270 4.938 70 HE2 TYR 10 HE2 TYR 10 28.442 -6.975 2.870 71 HH TYR 10 HH TYR 10 29.115 -6.653 4.958 72 H ALA 11 H ALA 11 27.726 -3.821 -2.417 73 HA ALA 11 HA ALA 11 30.024 -5.324 -1.662 74 HB1 ALA 11 HB1 ALA 11 30.035 -6.095 -4.001 75 HB2 ALA 11 HB2 ALA 11 28.789 -4.887 -4.389 76 HB3 ALA 11 HB3 ALA 11 28.420 -6.215 -3.263 77 H GLN 12 H GLN 12 29.530 -2.639 -3.972 78 HA GLN 12 HA GLN 12 32.235 -2.325 -4.681 79 HB2 GLN 12 HB2 GLN 12 30.013 -1.316 -5.655 80 HB3 GLN 12 HB3 GLN 12 30.403 0.025 -4.552 81 HG2 GLN 12 HG2 GLN 12 31.608 0.696 -6.726 82 HG3 GLN 12 HG3 GLN 12 32.594 -0.057 -5.450 83 HE21 GLN 12 HE22 GLN 12 34.181 -1.075 -6.542 84 HE22 GLN 12 HE21 GLN 12 33.931 -2.231 -7.808 85 H TRP 13 H TRP 13 30.332 -1.078 -2.003 86 HA TRP 13 HA TRP 13 32.055 0.898 -1.041 87 HB2 TRP 13 HB2 TRP 13 29.762 0.619 -0.176 88 HB3 TRP 13 HB3 TRP 13 30.205 -0.957 0.521 89 HD1 TRP 13 HD1 TRP 13 30.871 2.809 1.021 90 HE1 TRP 13 HE1 TRP 13 31.555 3.154 3.479 91 HE3 TRP 13 HE3 TRP 13 31.126 -2.074 2.482 92 HZ2 TRP 13 HZ2 TRP 13 32.124 1.564 5.742 93 HZ3 TRP 13 HZ3 TRP 13 31.751 -2.584 4.808 94 HH2 TRP 13 HH2 TRP 13 32.241 -0.801 6.403 95 H LEU 14 H LEU 14 31.963 -2.598 -0.404 96 HA LEU 14 HA LEU 14 34.097 -2.674 1.456 97 HB2 LEU 14 HB2 LEU 14 32.981 -4.605 -0.453 98 HB3 LEU 14 HB3 LEU 14 34.214 -5.170 0.698 99 HG LEU 14 HG LEU 14 31.461 -4.090 1.430 100 HD11 LEU 14 HD11 LEU 14 30.971 -6.393 2.117 101 HD12 LEU 14 HD12 LEU 14 31.337 -6.289 0.379 102 HD13 LEU 14 HD13 LEU 14 32.563 -6.907 1.512 103 HD21 LEU 14 HD21 LEU 14 32.015 -4.817 3.709 104 HD22 LEU 14 HD22 LEU 14 33.642 -5.290 3.161 105 HD23 LEU 14 HD23 LEU 14 33.154 -3.578 3.131 106 H ALA 15 H ALA 15 33.943 -3.070 -2.060 107 HA ALA 15 HA ALA 15 36.588 -3.807 -2.550 108 HB1 ALA 15 HB1 ALA 15 36.196 -3.029 -4.854 109 HB2 ALA 15 HB2 ALA 15 34.696 -2.241 -4.314 110 HB3 ALA 15 HB3 ALA 15 34.849 -4.012 -4.232 111 H ASP 16 H ASP 16 35.198 -0.624 -1.985 112 HA ASP 16 HA ASP 16 37.622 0.747 -2.784 113 HB2 ASP 16 HB2 ASP 16 34.846 1.566 -2.303 114 HB3 ASP 16 HB3 ASP 16 36.049 2.420 -1.305 115 H DAL 17 H DAL 17 36.930 -1.017 -0.113 116 HA DAL 17 HA DAL 17 38.790 0.548 1.523 117 HB1 DAL 17 HB1 DAL 17 39.150 -1.539 2.776 118 HB2 DAL 17 HB2 DAL 17 39.481 -1.728 1.038 119 HB3 DAL 17 HB3 DAL 17 37.965 -2.355 1.728 120 H GLY 18 H GLY 18 35.537 0.335 1.241 121 HA2 GLY 18 HA2 GLY 18 33.759 0.806 2.613 122 HA3 GLY 18 HA3 GLY 18 34.586 -0.180 3.841 123 H TRP 19 H TRP 19 35.327 0.813 5.606 124 HA TRP 19 HA TRP 19 34.840 3.597 5.986 125 HB2 TRP 19 HB2 TRP 19 36.204 1.507 7.721 126 HB3 TRP 19 HB3 TRP 19 35.958 3.193 8.236 127 HD1 TRP 19 HD1 TRP 19 34.385 -0.077 8.479 128 HE1 TRP 19 HE1 TRP 19 31.919 0.133 9.187 129 HE3 TRP 19 HE3 TRP 19 33.716 4.921 7.629 130 HZ2 TRP 19 HZ2 TRP 19 29.952 2.149 9.361 131 HZ3 TRP 19 HZ3 TRP 19 31.512 5.911 8.091 132 HH2 TRP 19 HH2 TRP 19 29.669 4.551 8.938 133 H ALA 20 H ALA 20 37.673 1.682 5.196 134 HA ALA 20 HA ALA 20 39.446 3.982 5.511 135 HB1 ALA 20 HB1 ALA 20 41.254 2.397 4.984 136 HB2 ALA 20 HB2 ALA 20 40.042 1.122 4.725 137 HB3 ALA 20 HB3 ALA 20 40.246 1.839 6.341 138 H SER 21 H SER 21 37.494 4.356 3.543 139 HA SER 21 HA SER 21 38.877 3.924 0.996 140 HB2 SER 21 HB2 SER 21 36.539 3.206 1.093 141 HB3 SER 21 HB3 SER 21 36.048 4.846 1.573 142 HG SER 21 HG SER 21 36.221 5.483 -0.446 Start of MODEL 12 1 H1 ARG 1 H1 ARG 1 32.923 7.774 2.027 2 H2 ARG 1 H2 ARG 1 32.549 8.656 3.181 3 H3 ARG 1 H3 ARG 1 32.991 7.245 3.429 4 HA ARG 1 HA ARG 1 30.292 8.075 3.080 5 HB2 ARG 1 HB2 ARG 1 29.565 6.691 1.220 6 HB3 ARG 1 HB3 ARG 1 30.768 7.900 0.714 7 HG2 ARG 1 HG2 ARG 1 32.514 6.055 0.926 8 HG3 ARG 1 HG3 ARG 1 31.155 4.916 1.085 9 HD2 ARG 1 HD2 ARG 1 31.553 6.808 -1.259 10 HD3 ARG 1 HD3 ARG 1 32.054 5.101 -1.247 11 HE ARG 1 HE ARG 1 29.791 4.463 -1.284 12 HH11 ARG 1 HH11 ARG 1 30.155 7.950 -1.363 13 HH12 ARG 1 HH12 ARG 1 28.521 8.223 -1.933 14 HH21 ARG 1 HH21 ARG 1 27.672 4.818 -2.025 15 HH22 ARG 1 HH22 ARG 1 27.123 6.459 -2.306 16 HA PRO 2 HA PRO 2 30.039 4.509 5.730 17 HB2 PRO 2 HB2 PRO 2 27.459 4.766 6.526 18 HB3 PRO 2 HB3 PRO 2 28.685 5.940 7.023 19 HG2 PRO 2 HG2 PRO 2 26.600 6.163 4.845 20 HG3 PRO 2 HG3 PRO 2 27.166 7.395 5.981 21 HD2 PRO 2 HD2 PRO 2 28.049 7.159 3.323 22 HD3 PRO 2 HD3 PRO 2 28.932 8.018 4.592 23 HA PRO 3 HA PRO 3 28.475 0.954 3.607 24 HB2 PRO 3 HB2 PRO 3 26.816 0.212 5.981 25 HB3 PRO 3 HB3 PRO 3 28.098 -0.711 5.184 26 HG2 PRO 3 HG2 PRO 3 28.422 0.553 7.594 27 HG3 PRO 3 HG3 PRO 3 29.757 0.225 6.482 28 HD2 PRO 3 HD2 PRO 3 28.461 2.824 7.141 29 HD3 PRO 3 HD3 PRO 3 30.060 2.515 6.454 30 HA PRO 4 HA PRO 4 24.430 2.545 2.396 31 HB2 PRO 4 HB2 PRO 4 24.377 1.515 -0.112 32 HB3 PRO 4 HB3 PRO 4 25.411 2.892 0.294 33 HG2 PRO 4 HG2 PRO 4 26.146 -0.036 0.035 34 HG3 PRO 4 HG3 PRO 4 27.022 1.388 -0.541 35 HD2 PRO 4 HD2 PRO 4 27.672 0.040 1.802 36 HD3 PRO 4 HD3 PRO 4 28.051 1.746 1.533 37 H SER 5 H SER 5 22.359 1.710 2.240 38 HA SER 5 HA SER 5 21.845 -0.804 3.385 39 HB2 SER 5 HB2 SER 5 20.040 1.059 1.823 40 HB3 SER 5 HB3 SER 5 19.467 -0.388 2.683 41 HG SER 5 HG SER 5 19.288 1.533 3.960 42 H ASP 6 H ASP 6 21.384 0.268 0.008 43 HA ASP 6 HA ASP 6 20.305 -2.002 -1.079 44 HB2 ASP 6 HB2 ASP 6 22.277 -0.065 -2.424 45 HB3 ASP 6 HB3 ASP 6 21.391 -1.435 -3.137 46 H AIB 7 H AIB 7 21.118 -3.820 -2.205 47 HB11 AIB 7 HB11 AIB 7 24.253 -6.092 -0.593 48 HB12 AIB 7 HB12 AIB 7 24.180 -4.376 -0.130 49 HB13 AIB 7 HB13 AIB 7 22.835 -5.466 0.279 50 HB21 AIB 7 HB21 AIB 7 21.631 -6.559 -1.427 51 HB22 AIB 7 HB22 AIB 7 22.476 -6.682 -2.915 52 HB23 AIB 7 HB23 AIB 7 21.134 -5.624 -2.776 53 H ALA 8 H ALA 8 22.854 -3.838 -4.146 54 HA ALA 8 HA ALA 8 25.223 -4.848 -5.248 55 HB1 ALA 8 HB1 ALA 8 24.948 -3.131 -6.990 56 HB2 ALA 8 HB2 ALA 8 23.702 -2.343 -5.996 57 HB3 ALA 8 HB3 ALA 8 23.425 -3.981 -6.635 58 H ALA 9 H ALA 9 24.588 -1.609 -3.864 59 HA ALA 9 HA ALA 9 27.200 -0.646 -4.379 60 HB1 ALA 9 HB1 ALA 9 26.591 1.253 -2.940 61 HB2 ALA 9 HB2 ALA 9 25.122 0.382 -2.441 62 HB3 ALA 9 HB3 ALA 9 25.328 0.880 -4.137 63 H TYR 10 H TYR 10 25.805 -2.403 -1.690 64 HA TYR 10 HA TYR 10 27.676 -1.778 0.302 65 HB2 TYR 10 HB2 TYR 10 25.555 -2.893 0.754 66 HB3 TYR 10 HB3 TYR 10 26.122 -4.331 -0.130 67 HD1 TYR 10 HD1 TYR 10 26.861 -2.220 2.863 68 HD2 TYR 10 HD2 TYR 10 27.310 -6.023 1.013 69 HE1 TYR 10 HE1 TYR 10 27.828 -3.110 4.941 70 HE2 TYR 10 HE2 TYR 10 28.281 -6.923 3.084 71 HH TYR 10 HH TYR 10 28.684 -4.880 5.965 72 H ALA 11 H ALA 11 27.818 -4.031 -2.385 73 HA ALA 11 HA ALA 11 30.057 -5.527 -1.471 74 HB1 ALA 11 HB1 ALA 11 30.175 -6.377 -3.779 75 HB2 ALA 11 HB2 ALA 11 28.968 -5.168 -4.272 76 HB3 ALA 11 HB3 ALA 11 28.523 -6.451 -3.123 77 H GLN 12 H GLN 12 29.731 -2.927 -3.911 78 HA GLN 12 HA GLN 12 32.475 -2.673 -4.470 79 HB2 GLN 12 HB2 GLN 12 30.324 -1.659 -5.597 80 HB3 GLN 12 HB3 GLN 12 30.689 -0.286 -4.525 81 HG2 GLN 12 HG2 GLN 12 32.703 -1.291 -6.731 82 HG3 GLN 12 HG3 GLN 12 31.444 -0.037 -6.644 83 HE21 GLN 12 HE22 GLN 12 34.674 -0.982 -5.765 84 HE22 GLN 12 HE21 GLN 12 35.130 0.499 -4.991 85 H TRP 13 H TRP 13 30.427 -1.251 -1.982 86 HA TRP 13 HA TRP 13 32.114 0.715 -0.973 87 HB2 TRP 13 HB2 TRP 13 29.767 0.448 -0.230 88 HB3 TRP 13 HB3 TRP 13 30.191 -1.089 0.561 89 HD1 TRP 13 HD1 TRP 13 30.774 2.702 0.924 90 HE1 TRP 13 HE1 TRP 13 31.331 3.168 3.396 91 HE3 TRP 13 HE3 TRP 13 31.044 -2.102 2.606 92 HZ2 TRP 13 HZ2 TRP 13 31.817 1.689 5.751 93 HZ3 TRP 13 HZ3 TRP 13 31.566 -2.503 4.978 94 HH2 TRP 13 HH2 TRP 13 31.946 -0.643 6.518 95 H LEU 14 H LEU 14 31.946 -2.753 -0.194 96 HA LEU 14 HA LEU 14 33.986 -2.781 1.761 97 HB2 LEU 14 HB2 LEU 14 32.948 -4.768 -0.133 98 HB3 LEU 14 HB3 LEU 14 34.124 -5.304 1.090 99 HG LEU 14 HG LEU 14 31.350 -4.176 1.662 100 HD11 LEU 14 HD11 LEU 14 30.806 -6.445 2.412 101 HD12 LEU 14 HD12 LEU 14 31.249 -6.410 0.689 102 HD13 LEU 14 HD13 LEU 14 32.417 -6.996 1.897 103 HD21 LEU 14 HD21 LEU 14 31.795 -4.824 3.988 104 HD22 LEU 14 HD22 LEU 14 33.441 -5.328 3.531 105 HD23 LEU 14 HD23 LEU 14 32.970 -3.616 3.417 106 H ALA 15 H ALA 15 34.017 -3.335 -1.739 107 HA ALA 15 HA ALA 15 36.702 -4.061 -2.035 108 HB1 ALA 15 HB1 ALA 15 36.425 -3.445 -4.403 109 HB2 ALA 15 HB2 ALA 15 34.882 -2.659 -4.001 110 HB3 ALA 15 HB3 ALA 15 35.064 -4.416 -3.793 111 H ASP 16 H ASP 16 35.222 -0.895 -1.707 112 HA ASP 16 HA ASP 16 37.653 0.490 -2.473 113 HB2 ASP 16 HB2 ASP 16 34.868 1.232 -2.378 114 HB3 ASP 16 HB3 ASP 16 35.802 2.097 -1.132 115 H DAL 17 H DAL 17 37.084 -1.209 0.177 116 HA DAL 17 HA DAL 17 38.716 0.541 1.842 117 HB1 DAL 17 HB1 DAL 17 39.073 -1.456 3.233 118 HB2 DAL 17 HB2 DAL 17 39.498 -1.735 1.529 119 HB3 DAL 17 HB3 DAL 17 37.967 -2.369 2.179 120 H GLY 18 H GLY 18 35.474 0.140 1.430 121 HA2 GLY 18 HA2 GLY 18 33.611 0.567 2.704 122 HA3 GLY 18 HA3 GLY 18 34.480 -0.188 4.060 123 H TRP 19 H TRP 19 35.210 1.068 5.670 124 HA TRP 19 HA TRP 19 34.400 3.797 5.771 125 HB2 TRP 19 HB2 TRP 19 35.953 1.998 7.643 126 HB3 TRP 19 HB3 TRP 19 35.763 3.734 7.985 127 HD1 TRP 19 HD1 TRP 19 34.159 0.537 8.679 128 HE1 TRP 19 HE1 TRP 19 31.748 0.876 9.516 129 HE3 TRP 19 HE3 TRP 19 33.522 5.432 7.354 130 HZ2 TRP 19 HZ2 TRP 19 29.830 2.948 9.603 131 HZ3 TRP 19 HZ3 TRP 19 31.371 6.518 7.848 132 HH2 TRP 19 HH2 TRP 19 29.564 5.300 8.949 133 H ALA 20 H ALA 20 37.392 2.169 4.985 134 HA ALA 20 HA ALA 20 38.895 4.674 5.011 135 HB1 ALA 20 HB1 ALA 20 40.850 3.264 4.514 136 HB2 ALA 20 HB2 ALA 20 39.786 1.841 4.435 137 HB3 ALA 20 HB3 ALA 20 39.984 2.719 5.970 138 H SER 21 H SER 21 36.818 4.650 3.147 139 HA SER 21 HA SER 21 38.067 4.100 0.559 140 HB2 SER 21 HB2 SER 21 35.829 3.239 0.774 141 HB3 SER 21 HB3 SER 21 35.226 4.818 1.326 142 HG SER 21 HG SER 21 36.390 4.363 -1.236 Start of MODEL 13 1 H1 ARG 1 H1 ARG 1 32.470 7.750 1.121 2 H2 ARG 1 H2 ARG 1 32.223 8.703 2.252 3 H3 ARG 1 H3 ARG 1 32.715 7.315 2.535 4 HA ARG 1 HA ARG 1 29.980 8.096 2.462 5 HB2 ARG 1 HB2 ARG 1 29.068 6.550 0.808 6 HB3 ARG 1 HB3 ARG 1 30.140 7.769 0.079 7 HG2 ARG 1 HG2 ARG 1 31.967 6.088 0.022 8 HG3 ARG 1 HG3 ARG 1 30.842 4.873 0.677 9 HD2 ARG 1 HD2 ARG 1 30.236 6.382 -1.872 10 HD3 ARG 1 HD3 ARG 1 31.235 4.909 -1.877 11 HE ARG 1 HE ARG 1 29.352 3.656 -1.333 12 HH11 ARG 1 HH11 ARG 1 28.557 7.067 -1.442 13 HH12 ARG 1 HH12 ARG 1 26.828 6.779 -1.470 14 HH21 ARG 1 HH21 ARG 1 27.117 3.283 -1.374 15 HH22 ARG 1 HH22 ARG 1 26.017 4.647 -1.432 16 HA PRO 2 HA PRO 2 30.082 4.713 5.350 17 HB2 PRO 2 HB2 PRO 2 27.562 4.923 6.340 18 HB3 PRO 2 HB3 PRO 2 28.777 6.167 6.668 19 HG2 PRO 2 HG2 PRO 2 26.518 6.186 4.660 20 HG3 PRO 2 HG3 PRO 2 27.124 7.503 5.674 21 HD2 PRO 2 HD2 PRO 2 27.798 7.149 2.971 22 HD3 PRO 2 HD3 PRO 2 28.755 8.099 4.115 23 HA PRO 3 HA PRO 3 28.455 0.959 3.692 24 HB2 PRO 3 HB2 PRO 3 26.825 0.423 6.130 25 HB3 PRO 3 HB3 PRO 3 28.139 -0.536 5.433 26 HG2 PRO 3 HG2 PRO 3 28.385 1.002 7.709 27 HG3 PRO 3 HG3 PRO 3 29.745 0.534 6.680 28 HD2 PRO 3 HD2 PRO 3 28.487 3.201 7.010 29 HD3 PRO 3 HD3 PRO 3 30.071 2.790 6.340 30 HA PRO 4 HA PRO 4 24.392 2.491 2.407 31 HB2 PRO 4 HB2 PRO 4 24.372 1.370 -0.069 32 HB3 PRO 4 HB3 PRO 4 25.342 2.805 0.289 33 HG2 PRO 4 HG2 PRO 4 26.207 -0.095 0.134 34 HG3 PRO 4 HG3 PRO 4 27.019 1.345 -0.493 35 HD2 PRO 4 HD2 PRO 4 27.738 0.124 1.890 36 HD3 PRO 4 HD3 PRO 4 28.008 1.843 1.576 37 H SER 5 H SER 5 22.349 1.592 2.269 38 HA SER 5 HA SER 5 21.939 -0.968 3.393 39 HB2 SER 5 HB2 SER 5 20.041 0.910 1.966 40 HB3 SER 5 HB3 SER 5 19.528 -0.586 2.780 41 HG SER 5 HG SER 5 19.346 1.275 4.142 42 H ASP 6 H ASP 6 21.789 0.206 0.043 43 HA ASP 6 HA ASP 6 20.510 -2.018 -1.076 44 HB2 ASP 6 HB2 ASP 6 20.999 0.320 -2.201 45 HB3 ASP 6 HB3 ASP 6 22.595 -0.443 -2.410 46 H AIB 7 H AIB 7 21.213 -3.897 -2.019 47 HB11 AIB 7 HB11 AIB 7 24.435 -6.135 -0.648 48 HB12 AIB 7 HB12 AIB 7 24.350 -4.428 -0.150 49 HB13 AIB 7 HB13 AIB 7 23.022 -5.541 0.255 50 HB21 AIB 7 HB21 AIB 7 21.801 -6.620 -1.517 51 HB22 AIB 7 HB22 AIB 7 22.648 -6.671 -3.008 52 HB23 AIB 7 HB23 AIB 7 21.295 -5.634 -2.825 53 H ALA 8 H ALA 8 23.005 -3.724 -4.099 54 HA ALA 8 HA ALA 8 25.377 -4.657 -5.263 55 HB1 ALA 8 HB1 ALA 8 25.116 -2.818 -6.879 56 HB2 ALA 8 HB2 ALA 8 23.868 -2.100 -5.835 57 HB3 ALA 8 HB3 ALA 8 23.588 -3.685 -6.594 58 H ALA 9 H ALA 9 24.737 -1.518 -3.673 59 HA ALA 9 HA ALA 9 27.352 -0.534 -4.163 60 HB1 ALA 9 HB1 ALA 9 26.730 1.328 -2.684 61 HB2 ALA 9 HB2 ALA 9 25.258 0.445 -2.218 62 HB3 ALA 9 HB3 ALA 9 25.476 0.985 -3.899 63 H TYR 10 H TYR 10 25.908 -2.319 -1.510 64 HA TYR 10 HA TYR 10 27.794 -1.778 0.490 65 HB2 TYR 10 HB2 TYR 10 25.541 -2.965 0.663 66 HB3 TYR 10 HB3 TYR 10 26.415 -4.427 0.145 67 HD1 TYR 10 HD2 TYR 10 26.552 -1.735 2.758 68 HD2 TYR 10 HD1 TYR 10 27.394 -5.786 1.779 69 HE1 TYR 10 HE2 TYR 10 27.224 -2.152 5.084 70 HE2 TYR 10 HE1 TYR 10 28.079 -6.211 4.102 71 HH TYR 10 HH TYR 10 28.982 -4.150 6.161 72 H ALA 11 H ALA 11 27.877 -4.022 -2.218 73 HA ALA 11 HA ALA 11 30.102 -5.550 -1.306 74 HB1 ALA 11 HB1 ALA 11 30.184 -6.425 -3.605 75 HB2 ALA 11 HB2 ALA 11 28.990 -5.203 -4.099 76 HB3 ALA 11 HB3 ALA 11 28.537 -6.467 -2.932 77 H GLN 12 H GLN 12 29.796 -3.015 -3.814 78 HA GLN 12 HA GLN 12 32.533 -2.790 -4.390 79 HB2 GLN 12 HB2 GLN 12 30.387 -1.791 -5.528 80 HB3 GLN 12 HB3 GLN 12 30.750 -0.399 -4.481 81 HG2 GLN 12 HG2 GLN 12 32.087 0.144 -6.605 82 HG3 GLN 12 HG3 GLN 12 32.991 -0.600 -5.265 83 HE21 GLN 12 HE22 GLN 12 34.617 -1.531 -6.453 84 HE22 GLN 12 HE21 GLN 12 34.358 -2.790 -7.615 85 H TRP 13 H TRP 13 30.535 -1.349 -1.890 86 HA TRP 13 HA TRP 13 32.246 0.649 -0.949 87 HB2 TRP 13 HB2 TRP 13 29.893 0.427 -0.208 88 HB3 TRP 13 HB3 TRP 13 30.296 -1.094 0.622 89 HD1 TRP 13 HD1 TRP 13 31.056 2.687 0.864 90 HE1 TRP 13 HE1 TRP 13 31.523 3.217 3.340 91 HE3 TRP 13 HE3 TRP 13 30.926 -2.059 2.735 92 HZ2 TRP 13 HZ2 TRP 13 31.798 1.801 5.771 93 HZ3 TRP 13 HZ3 TRP 13 31.307 -2.392 5.146 94 HH2 TRP 13 HH2 TRP 13 31.736 -0.501 6.629 95 H LEU 14 H LEU 14 31.978 -2.777 0.001 96 HA LEU 14 HA LEU 14 34.020 -2.787 1.940 97 HB2 LEU 14 HB2 LEU 14 32.961 -4.818 0.106 98 HB3 LEU 14 HB3 LEU 14 34.104 -5.332 1.368 99 HG LEU 14 HG LEU 14 31.344 -4.139 1.849 100 HD11 LEU 14 HD11 LEU 14 30.755 -6.373 2.669 101 HD12 LEU 14 HD12 LEU 14 31.230 -6.407 0.955 102 HD13 LEU 14 HD13 LEU 14 32.369 -6.962 2.205 103 HD21 LEU 14 HD21 LEU 14 31.732 -4.706 4.204 104 HD22 LEU 14 HD22 LEU 14 33.378 -5.250 3.800 105 HD23 LEU 14 HD23 LEU 14 32.936 -3.536 3.613 106 H ALA 15 H ALA 15 34.064 -3.457 -1.539 107 HA ALA 15 HA ALA 15 36.702 -4.298 -1.815 108 HB1 ALA 15 HB1 ALA 15 36.482 -3.665 -4.185 109 HB2 ALA 15 HB2 ALA 15 34.984 -2.789 -3.794 110 HB3 ALA 15 HB3 ALA 15 35.061 -4.555 -3.586 111 H ASP 16 H ASP 16 35.390 -1.015 -1.704 112 HA ASP 16 HA ASP 16 37.932 0.187 -2.367 113 HB2 ASP 16 HB2 ASP 16 35.280 1.081 -2.595 114 HB3 ASP 16 HB3 ASP 16 35.950 1.812 -1.116 115 H DAL 17 H DAL 17 36.854 -1.222 0.430 116 HA DAL 17 HA DAL 17 38.664 0.430 2.046 117 HB1 DAL 17 HB1 DAL 17 38.801 -1.512 3.553 118 HB2 DAL 17 HB2 DAL 17 39.275 -1.915 1.887 119 HB3 DAL 17 HB3 DAL 17 37.672 -2.392 2.495 120 H GLY 18 H GLY 18 35.414 0.206 1.516 121 HA2 GLY 18 HA2 GLY 18 33.536 0.853 2.660 122 HA3 GLY 18 HA3 GLY 18 34.278 0.109 4.095 123 H TRP 19 H TRP 19 35.114 1.390 5.659 124 HA TRP 19 HA TRP 19 34.366 4.111 5.705 125 HB2 TRP 19 HB2 TRP 19 36.080 2.404 7.522 126 HB3 TRP 19 HB3 TRP 19 35.889 4.150 7.809 127 HD1 TRP 19 HD1 TRP 19 34.420 0.992 8.817 128 HE1 TRP 19 HE1 TRP 19 32.050 1.316 9.770 129 HE3 TRP 19 HE3 TRP 19 33.524 5.755 7.180 130 HZ2 TRP 19 HZ2 TRP 19 30.066 3.323 9.821 131 HZ3 TRP 19 HZ3 TRP 19 31.368 6.801 7.720 132 HH2 TRP 19 HH2 TRP 19 29.673 5.611 9.014 133 H ALA 20 H ALA 20 37.312 2.477 4.774 134 HA ALA 20 HA ALA 20 38.715 5.032 4.471 135 HB1 ALA 20 HB1 ALA 20 40.711 3.657 4.032 136 HB2 ALA 20 HB2 ALA 20 39.718 2.189 4.185 137 HB3 ALA 20 HB3 ALA 20 39.954 3.255 5.591 138 H SER 21 H SER 21 36.472 4.431 2.770 139 HA SER 21 HA SER 21 37.614 3.729 0.185 140 HB2 SER 21 HB2 SER 21 34.778 4.338 1.049 141 HB3 SER 21 HB3 SER 21 35.251 3.933 -0.617 142 HG SER 21 HG SER 21 34.527 2.093 0.597 Start of MODEL 14 1 H1 ARG 1 H1 ARG 1 32.437 7.627 0.426 2 H2 ARG 1 H2 ARG 1 32.276 8.692 1.470 3 H3 ARG 1 H3 ARG 1 32.719 7.315 1.866 4 HA ARG 1 HA ARG 1 30.018 8.213 1.812 5 HB2 ARG 1 HB2 ARG 1 28.951 6.698 0.300 6 HB3 ARG 1 HB3 ARG 1 30.211 7.605 -0.569 7 HG2 ARG 1 HG2 ARG 1 31.351 5.178 0.465 8 HG3 ARG 1 HG3 ARG 1 29.853 4.779 -0.411 9 HD2 ARG 1 HD2 ARG 1 31.606 6.730 -1.775 10 HD3 ARG 1 HD3 ARG 1 32.308 5.107 -1.580 11 HE ARG 1 HE ARG 1 30.617 4.237 -2.945 12 HH11 ARG 1 HH11 ARG 1 30.240 7.695 -2.519 13 HH12 ARG 1 HH12 ARG 1 29.153 7.862 -3.883 14 HH21 ARG 1 HH21 ARG 1 29.208 4.451 -4.711 15 HH22 ARG 1 HH22 ARG 1 28.571 6.032 -5.119 16 HA PRO 2 HA PRO 2 30.000 5.091 4.973 17 HB2 PRO 2 HB2 PRO 2 27.436 5.351 5.850 18 HB3 PRO 2 HB3 PRO 2 28.635 6.624 6.120 19 HG2 PRO 2 HG2 PRO 2 26.426 6.486 4.075 20 HG3 PRO 2 HG3 PRO 2 27.055 7.886 4.953 21 HD2 PRO 2 HD2 PRO 2 27.735 7.201 2.301 22 HD3 PRO 2 HD3 PRO 2 28.656 8.310 3.324 23 HA PRO 3 HA PRO 3 28.393 1.196 3.649 24 HB2 PRO 3 HB2 PRO 3 26.841 0.365 5.848 25 HB3 PRO 3 HB3 PRO 3 28.587 0.130 5.691 26 HG2 PRO 3 HG2 PRO 3 27.075 2.250 7.198 27 HG3 PRO 3 HG3 PRO 3 28.590 1.439 7.615 28 HD2 PRO 3 HD2 PRO 3 28.571 3.983 6.640 29 HD3 PRO 3 HD3 PRO 3 29.887 2.869 6.250 30 HA PRO 4 HA PRO 4 24.275 2.518 2.298 31 HB2 PRO 4 HB2 PRO 4 24.354 1.445 -0.184 32 HB3 PRO 4 HB3 PRO 4 25.275 2.904 0.207 33 HG2 PRO 4 HG2 PRO 4 26.231 0.032 0.036 34 HG3 PRO 4 HG3 PRO 4 27.003 1.502 -0.575 35 HD2 PRO 4 HD2 PRO 4 27.728 0.287 1.817 36 HD3 PRO 4 HD3 PRO 4 27.964 2.011 1.504 37 H SER 5 H SER 5 22.379 1.516 2.596 38 HA SER 5 HA SER 5 22.107 -1.084 3.522 39 HB2 SER 5 HB2 SER 5 20.068 0.714 2.189 40 HB3 SER 5 HB3 SER 5 19.661 -0.819 2.994 41 HG SER 5 HG SER 5 19.429 1.009 4.395 42 H ASP 6 H ASP 6 21.223 0.103 0.263 43 HA ASP 6 HA ASP 6 20.428 -2.124 -1.016 44 HB2 ASP 6 HB2 ASP 6 20.800 0.177 -2.124 45 HB3 ASP 6 HB3 ASP 6 22.512 -0.306 -2.036 46 H AIB 7 H AIB 7 21.201 -4.058 -1.635 47 HB11 AIB 7 HB11 AIB 7 24.526 -6.060 -0.176 48 HB12 AIB 7 HB12 AIB 7 24.369 -4.333 0.222 49 HB13 AIB 7 HB13 AIB 7 23.090 -5.476 0.696 50 HB21 AIB 7 HB21 AIB 7 21.884 -6.681 -0.983 51 HB22 AIB 7 HB22 AIB 7 22.760 -6.832 -2.450 52 HB23 AIB 7 HB23 AIB 7 21.375 -5.824 -2.378 53 H ALA 8 H ALA 8 22.961 -4.072 -3.812 54 HA ALA 8 HA ALA 8 25.334 -5.014 -4.920 55 HB1 ALA 8 HB1 ALA 8 25.006 -3.329 -6.688 56 HB2 ALA 8 HB2 ALA 8 23.766 -2.542 -5.685 57 HB3 ALA 8 HB3 ALA 8 23.501 -4.194 -6.292 58 H ALA 9 H ALA 9 24.680 -1.781 -3.542 59 HA ALA 9 HA ALA 9 27.281 -0.800 -4.148 60 HB1 ALA 9 HB1 ALA 9 26.648 1.161 -2.806 61 HB2 ALA 9 HB2 ALA 9 25.189 0.299 -2.264 62 HB3 ALA 9 HB3 ALA 9 25.388 0.716 -3.982 63 H TYR 10 H TYR 10 25.876 -2.402 -1.363 64 HA TYR 10 HA TYR 10 27.762 -1.662 0.576 65 HB2 TYR 10 HB2 TYR 10 25.638 -2.717 1.124 66 HB3 TYR 10 HB3 TYR 10 26.182 -4.219 0.340 67 HD1 TYR 10 HD1 TYR 10 26.984 -1.899 3.164 68 HD2 TYR 10 HD2 TYR 10 27.385 -5.828 1.586 69 HE1 TYR 10 HE1 TYR 10 27.988 -2.642 5.280 70 HE2 TYR 10 HE2 TYR 10 28.395 -6.579 3.699 71 HH TYR 10 HH TYR 10 29.037 -6.005 5.741 72 H ALA 11 H ALA 11 27.852 -4.103 -1.944 73 HA ALA 11 HA ALA 11 30.076 -5.564 -0.937 74 HB1 ALA 11 HB1 ALA 11 30.173 -6.572 -3.181 75 HB2 ALA 11 HB2 ALA 11 28.986 -5.378 -3.754 76 HB3 ALA 11 HB3 ALA 11 28.521 -6.573 -2.520 77 H GLN 12 H GLN 12 29.786 -3.149 -3.567 78 HA GLN 12 HA GLN 12 32.529 -2.973 -4.148 79 HB2 GLN 12 HB2 GLN 12 30.405 -2.013 -5.347 80 HB3 GLN 12 HB3 GLN 12 30.756 -0.579 -4.353 81 HG2 GLN 12 HG2 GLN 12 32.839 -1.708 -6.431 82 HG3 GLN 12 HG3 GLN 12 31.520 -0.517 -6.515 83 HE21 GLN 12 HE22 GLN 12 34.771 -1.169 -5.528 84 HE22 GLN 12 HE21 GLN 12 35.125 0.395 -4.873 85 H TRP 13 H TRP 13 30.515 -1.326 -1.776 86 HA TRP 13 HA TRP 13 32.252 0.666 -0.903 87 HB2 TRP 13 HB2 TRP 13 29.883 0.518 -0.193 88 HB3 TRP 13 HB3 TRP 13 30.255 -0.955 0.735 89 HD1 TRP 13 HD1 TRP 13 31.033 2.829 0.760 90 HE1 TRP 13 HE1 TRP 13 31.497 3.500 3.203 91 HE3 TRP 13 HE3 TRP 13 30.884 -1.797 2.910 92 HZ2 TRP 13 HZ2 TRP 13 31.760 2.234 5.713 93 HZ3 TRP 13 HZ3 TRP 13 31.256 -1.990 5.336 94 HH2 TRP 13 HH2 TRP 13 31.685 -0.012 6.708 95 H LEU 14 H LEU 14 31.920 -2.704 0.212 96 HA LEU 14 HA LEU 14 33.932 -2.632 2.188 97 HB2 LEU 14 HB2 LEU 14 32.854 -4.750 0.464 98 HB3 LEU 14 HB3 LEU 14 33.982 -5.211 1.760 99 HG LEU 14 HG LEU 14 31.246 -3.935 2.162 100 HD11 LEU 14 HD11 LEU 14 30.597 -6.108 3.090 101 HD12 LEU 14 HD12 LEU 14 31.077 -6.239 1.382 102 HD13 LEU 14 HD13 LEU 14 32.196 -6.761 2.664 103 HD21 LEU 14 HD21 LEU 14 31.608 -4.392 4.544 104 HD22 LEU 14 HD22 LEU 14 33.242 -4.998 4.178 105 HD23 LEU 14 HD23 LEU 14 32.845 -3.285 3.904 106 H ALA 15 H ALA 15 34.005 -3.535 -1.241 107 HA ALA 15 HA ALA 15 36.662 -4.383 -1.414 108 HB1 ALA 15 HB1 ALA 15 36.454 -3.970 -3.833 109 HB2 ALA 15 HB2 ALA 15 34.940 -3.086 -3.535 110 HB3 ALA 15 HB3 ALA 15 35.041 -4.824 -3.169 111 H ASP 16 H ASP 16 35.312 -1.141 -1.408 112 HA ASP 16 HA ASP 16 37.827 0.064 -2.219 113 HB2 ASP 16 HB2 ASP 16 35.121 0.894 -2.437 114 HB3 ASP 16 HB3 ASP 16 35.875 1.781 -1.089 115 H DAL 17 H DAL 17 37.318 -1.412 0.482 116 HA DAL 17 HA DAL 17 38.887 0.435 2.059 117 HB1 DAL 17 HB1 DAL 17 39.070 -1.425 3.661 118 HB2 DAL 17 HB2 DAL 17 39.529 -1.906 2.012 119 HB3 DAL 17 HB3 DAL 17 37.941 -2.374 2.665 120 H GLY 18 H GLY 18 35.566 -0.270 1.724 121 HA2 GLY 18 HA2 GLY 18 33.695 0.400 2.879 122 HA3 GLY 18 HA3 GLY 18 34.607 -0.008 4.351 123 H TRP 19 H TRP 19 35.354 1.592 5.622 124 HA TRP 19 HA TRP 19 34.344 4.218 5.244 125 HB2 TRP 19 HB2 TRP 19 36.156 2.943 7.299 126 HB3 TRP 19 HB3 TRP 19 35.866 4.699 7.304 127 HD1 TRP 19 HD1 TRP 19 34.540 1.622 8.744 128 HE1 TRP 19 HE1 TRP 19 32.172 1.993 9.684 129 HE3 TRP 19 HE3 TRP 19 33.485 6.107 6.530 130 HZ2 TRP 19 HZ2 TRP 19 30.127 3.932 9.506 131 HZ3 TRP 19 HZ3 TRP 19 31.303 7.153 6.966 132 HH2 TRP 19 HH2 TRP 19 29.658 6.087 8.423 133 H ALA 20 H ALA 20 37.404 2.696 4.519 134 HA ALA 20 HA ALA 20 38.696 5.256 3.978 135 HB1 ALA 20 HB1 ALA 20 40.702 3.907 3.511 136 HB2 ALA 20 HB2 ALA 20 39.747 2.427 3.763 137 HB3 ALA 20 HB3 ALA 20 40.013 3.554 5.114 138 H SER 21 H SER 21 36.461 4.778 2.360 139 HA SER 21 HA SER 21 37.513 3.902 -0.224 140 HB2 SER 21 HB2 SER 21 35.385 2.938 0.340 141 HB3 SER 21 HB3 SER 21 34.707 4.537 0.724 142 HG SER 21 HG SER 21 34.060 3.887 -1.358 Start of MODEL 15 1 H1 ARG 1 H1 ARG 1 32.867 7.496 0.929 2 H2 ARG 1 H2 ARG 1 32.732 8.478 2.054 3 H3 ARG 1 H3 ARG 1 32.996 7.032 2.350 4 HA ARG 1 HA ARG 1 30.415 8.222 2.179 5 HB2 ARG 1 HB2 ARG 1 29.369 6.688 0.519 6 HB3 ARG 1 HB3 ARG 1 30.482 7.899 -0.160 7 HG2 ARG 1 HG2 ARG 1 32.186 6.263 -0.522 8 HG3 ARG 1 HG3 ARG 1 31.312 5.046 0.441 9 HD2 ARG 1 HD2 ARG 1 29.502 5.028 -1.246 10 HD3 ARG 1 HD3 ARG 1 30.401 6.222 -2.212 11 HE ARG 1 HE ARG 1 32.046 4.542 -2.654 12 HH11 ARG 1 HH11 ARG 1 29.171 3.321 -1.054 13 HH12 ARG 1 HH12 ARG 1 29.444 1.671 -1.578 14 HH21 ARG 1 HH21 ARG 1 32.391 2.406 -3.331 15 HH22 ARG 1 HH22 ARG 1 31.256 1.157 -2.859 16 HA PRO 2 HA PRO 2 30.049 5.060 5.327 17 HB2 PRO 2 HB2 PRO 2 27.138 5.707 5.304 18 HB3 PRO 2 HB3 PRO 2 28.295 5.826 6.637 19 HG2 PRO 2 HG2 PRO 2 27.334 8.026 5.385 20 HG3 PRO 2 HG3 PRO 2 28.976 7.974 6.040 21 HD2 PRO 2 HD2 PRO 2 28.068 7.738 3.161 22 HD3 PRO 2 HD3 PRO 2 29.513 8.518 3.816 23 HA PRO 3 HA PRO 3 28.590 1.343 3.443 24 HB2 PRO 3 HB2 PRO 3 27.082 0.200 5.517 25 HB3 PRO 3 HB3 PRO 3 28.838 0.058 5.352 26 HG2 PRO 3 HG2 PRO 3 27.227 1.941 7.067 27 HG3 PRO 3 HG3 PRO 3 28.753 1.122 7.426 28 HD2 PRO 3 HD2 PRO 3 28.704 3.755 6.751 29 HD3 PRO 3 HD3 PRO 3 30.043 2.717 6.243 30 HA PRO 4 HA PRO 4 24.460 2.625 2.182 31 HB2 PRO 4 HB2 PRO 4 24.459 1.452 -0.260 32 HB3 PRO 4 HB3 PRO 4 25.426 2.899 0.056 33 HG2 PRO 4 HG2 PRO 4 26.302 -0.007 0.005 34 HG3 PRO 4 HG3 PRO 4 27.089 1.405 -0.714 35 HD2 PRO 4 HD2 PRO 4 27.883 0.320 1.703 36 HD3 PRO 4 HD3 PRO 4 28.105 2.029 1.311 37 H SER 5 H SER 5 22.539 1.701 2.549 38 HA SER 5 HA SER 5 22.189 -0.791 3.679 39 HB2 SER 5 HB2 SER 5 20.201 0.921 2.172 40 HB3 SER 5 HB3 SER 5 19.755 -0.509 3.131 41 HG SER 5 HG SER 5 19.578 1.458 4.335 42 H ASP 6 H ASP 6 21.607 0.105 0.273 43 HA ASP 6 HA ASP 6 20.452 -2.224 -0.633 44 HB2 ASP 6 HB2 ASP 6 22.335 -0.347 -2.176 45 HB3 ASP 6 HB3 ASP 6 21.433 -1.763 -2.772 46 H AIB 7 H AIB 7 21.253 -4.072 -1.778 47 HB11 AIB 7 HB11 AIB 7 24.474 -6.258 -0.155 48 HB12 AIB 7 HB12 AIB 7 24.398 -4.525 0.240 49 HB13 AIB 7 HB13 AIB 7 23.081 -5.611 0.742 50 HB21 AIB 7 HB21 AIB 7 21.775 -6.752 -0.911 51 HB22 AIB 7 HB22 AIB 7 22.624 -6.971 -2.385 52 HB23 AIB 7 HB23 AIB 7 21.287 -5.900 -2.316 53 H ALA 8 H ALA 8 22.931 -4.163 -3.765 54 HA ALA 8 HA ALA 8 25.302 -5.181 -4.870 55 HB1 ALA 8 HB1 ALA 8 24.934 -3.581 -6.704 56 HB2 ALA 8 HB2 ALA 8 23.683 -2.777 -5.730 57 HB3 ALA 8 HB3 ALA 8 23.450 -4.458 -6.264 58 H ALA 9 H ALA 9 24.615 -1.840 -3.765 59 HA ALA 9 HA ALA 9 27.215 -0.900 -4.338 60 HB1 ALA 9 HB1 ALA 9 26.597 1.097 -3.043 61 HB2 ALA 9 HB2 ALA 9 25.137 0.256 -2.475 62 HB3 ALA 9 HB3 ALA 9 25.333 0.626 -4.204 63 H TYR 10 H TYR 10 25.851 -2.454 -1.498 64 HA TYR 10 HA TYR 10 27.762 -1.663 0.395 65 HB2 TYR 10 HB2 TYR 10 25.583 -2.850 0.823 66 HB3 TYR 10 HB3 TYR 10 26.407 -4.348 0.325 67 HD1 TYR 10 HD1 TYR 10 26.666 -1.533 2.781 68 HD2 TYR 10 HD2 TYR 10 27.612 -5.592 1.928 69 HE1 TYR 10 HE1 TYR 10 27.542 -1.804 5.062 70 HE2 TYR 10 HE2 TYR 10 28.490 -5.870 4.208 71 HH TYR 10 HH TYR 10 29.466 -3.683 6.084 72 H ALA 11 H ALA 11 27.837 -4.147 -2.088 73 HA ALA 11 HA ALA 11 30.086 -5.577 -1.130 74 HB1 ALA 11 HB1 ALA 11 30.204 -6.533 -3.395 75 HB2 ALA 11 HB2 ALA 11 29.006 -5.340 -3.947 76 HB3 ALA 11 HB3 ALA 11 28.549 -6.566 -2.741 77 H GLN 12 H GLN 12 29.772 -3.083 -3.678 78 HA GLN 12 HA GLN 12 32.513 -2.866 -4.260 79 HB2 GLN 12 HB2 GLN 12 30.401 -1.892 -5.442 80 HB3 GLN 12 HB3 GLN 12 30.694 -0.496 -4.378 81 HG2 GLN 12 HG2 GLN 12 33.072 -1.395 -6.185 82 HG3 GLN 12 HG3 GLN 12 31.515 -0.713 -6.709 83 HE21 GLN 12 HE22 GLN 12 34.361 -0.189 -4.631 84 HE22 GLN 12 HE21 GLN 12 34.240 1.539 -4.594 85 H TRP 13 H TRP 13 30.493 -1.331 -1.823 86 HA TRP 13 HA TRP 13 32.209 0.646 -0.882 87 HB2 TRP 13 HB2 TRP 13 29.851 0.439 -0.149 88 HB3 TRP 13 HB3 TRP 13 30.252 -1.068 0.709 89 HD1 TRP 13 HD1 TRP 13 30.984 2.725 0.894 90 HE1 TRP 13 HE1 TRP 13 31.486 3.285 3.357 91 HE3 TRP 13 HE3 TRP 13 30.921 -1.996 2.834 92 HZ2 TRP 13 HZ2 TRP 13 31.813 1.909 5.803 93 HZ3 TRP 13 HZ3 TRP 13 31.338 -2.296 5.241 94 HH2 TRP 13 HH2 TRP 13 31.774 -0.381 6.695 95 H LEU 14 H LEU 14 31.921 -2.764 0.108 96 HA LEU 14 HA LEU 14 33.946 -2.763 2.061 97 HB2 LEU 14 HB2 LEU 14 32.888 -4.808 0.242 98 HB3 LEU 14 HB3 LEU 14 34.026 -5.317 1.511 99 HG LEU 14 HG LEU 14 31.280 -4.086 1.987 100 HD11 LEU 14 HD11 LEU 14 30.646 -6.304 2.811 101 HD12 LEU 14 HD12 LEU 14 31.117 -6.350 1.096 102 HD13 LEU 14 HD13 LEU 14 32.246 -6.928 2.345 103 HD21 LEU 14 HD21 LEU 14 31.662 -4.659 4.342 104 HD22 LEU 14 HD22 LEU 14 33.297 -5.233 3.935 105 HD23 LEU 14 HD23 LEU 14 32.886 -3.512 3.748 106 H ALA 15 H ALA 15 34.019 -3.417 -1.419 107 HA ALA 15 HA ALA 15 36.665 -4.269 -1.666 108 HB1 ALA 15 HB1 ALA 15 36.465 -3.642 -4.040 109 HB2 ALA 15 HB2 ALA 15 34.962 -2.769 -3.665 110 HB3 ALA 15 HB3 ALA 15 35.041 -4.534 -3.455 111 H ASP 16 H ASP 16 35.346 -1.014 -1.429 112 HA ASP 16 HA ASP 16 37.913 0.199 -2.066 113 HB2 ASP 16 HB2 ASP 16 35.213 1.082 -2.339 114 HB3 ASP 16 HB3 ASP 16 35.968 1.910 -0.955 115 H DAL 17 H DAL 17 37.282 -1.421 0.509 116 HA DAL 17 HA DAL 17 38.808 0.279 2.261 117 HB1 DAL 17 HB1 DAL 17 38.768 -1.639 3.804 118 HB2 DAL 17 HB2 DAL 17 39.294 -2.099 2.168 119 HB3 DAL 17 HB3 DAL 17 37.641 -2.476 2.710 120 H GLY 18 H GLY 18 35.470 -0.252 1.726 121 HA2 GLY 18 HA2 GLY 18 33.575 0.497 2.783 122 HA3 GLY 18 HA3 GLY 18 34.381 0.022 4.296 123 H TRP 19 H TRP 19 35.045 1.566 5.661 124 HA TRP 19 HA TRP 19 34.175 4.223 5.321 125 HB2 TRP 19 HB2 TRP 19 36.015 2.919 7.348 126 HB3 TRP 19 HB3 TRP 19 35.587 4.645 7.420 127 HD1 TRP 19 HD1 TRP 19 34.468 1.371 8.637 128 HE1 TRP 19 HE1 TRP 19 32.089 1.531 9.608 129 HE3 TRP 19 HE3 TRP 19 33.147 5.955 6.800 130 HZ2 TRP 19 HZ2 TRP 19 29.936 3.360 9.596 131 HZ3 TRP 19 HZ3 TRP 19 30.911 6.838 7.324 132 HH2 TRP 19 HH2 TRP 19 29.340 5.565 8.693 133 H ALA 20 H ALA 20 37.233 2.656 4.641 134 HA ALA 20 HA ALA 20 38.572 5.204 4.164 135 HB1 ALA 20 HB1 ALA 20 40.570 3.831 3.727 136 HB2 ALA 20 HB2 ALA 20 39.588 2.363 3.933 137 HB3 ALA 20 HB3 ALA 20 39.837 3.465 5.307 138 H SER 21 H SER 21 36.375 4.790 2.478 139 HA SER 21 HA SER 21 37.467 3.909 -0.083 140 HB2 SER 21 HB2 SER 21 35.274 3.055 0.415 141 HB3 SER 21 HB3 SER 21 34.668 4.688 0.774 142 HG SER 21 HG SER 21 34.317 4.955 -1.288 Start of MODEL 16 1 H1 ARG 1 H1 ARG 1 32.354 7.612 1.211 2 H2 ARG 1 H2 ARG 1 32.131 8.539 2.370 3 H3 ARG 1 H3 ARG 1 32.503 7.106 2.616 4 HA ARG 1 HA ARG 1 29.842 8.102 2.459 5 HB2 ARG 1 HB2 ARG 1 28.949 6.511 0.731 6 HB3 ARG 1 HB3 ARG 1 29.896 7.890 0.126 7 HG2 ARG 1 HG2 ARG 1 31.655 6.562 -0.568 8 HG3 ARG 1 HG3 ARG 1 31.307 5.293 0.631 9 HD2 ARG 1 HD2 ARG 1 30.249 4.129 -0.962 10 HD3 ARG 1 HD3 ARG 1 29.047 5.435 -1.077 11 HE ARG 1 HE ARG 1 31.248 4.906 -2.888 12 HH11 ARG 1 HH11 ARG 1 28.834 7.213 -1.819 13 HH12 ARG 1 HH12 ARG 1 28.881 8.130 -3.312 14 HH21 ARG 1 HH21 ARG 1 31.307 6.098 -4.827 15 HH22 ARG 1 HH22 ARG 1 30.273 7.502 -5.005 16 HA PRO 2 HA PRO 2 29.849 4.802 5.509 17 HB2 PRO 2 HB2 PRO 2 26.945 5.456 5.749 18 HB3 PRO 2 HB3 PRO 2 28.199 5.478 6.997 19 HG2 PRO 2 HG2 PRO 2 27.180 7.763 5.972 20 HG3 PRO 2 HG3 PRO 2 28.869 7.653 6.484 21 HD2 PRO 2 HD2 PRO 2 27.726 7.620 3.681 22 HD3 PRO 2 HD3 PRO 2 29.234 8.334 4.264 23 HA PRO 3 HA PRO 3 28.441 1.100 3.562 24 HB2 PRO 3 HB2 PRO 3 26.844 0.502 6.031 25 HB3 PRO 3 HB3 PRO 3 28.065 -0.491 5.223 26 HG2 PRO 3 HG2 PRO 3 28.545 0.911 7.533 27 HG3 PRO 3 HG3 PRO 3 29.811 0.490 6.371 28 HD2 PRO 3 HD2 PRO 3 28.656 3.149 6.976 29 HD3 PRO 3 HD3 PRO 3 30.152 2.754 6.120 30 HA PRO 4 HA PRO 4 24.341 2.523 2.304 31 HB2 PRO 4 HB2 PRO 4 24.330 1.395 -0.168 32 HB3 PRO 4 HB3 PRO 4 25.284 2.843 0.183 33 HG2 PRO 4 HG2 PRO 4 26.185 -0.048 0.035 34 HG3 PRO 4 HG3 PRO 4 26.979 1.401 -0.596 35 HD2 PRO 4 HD2 PRO 4 27.714 0.191 1.787 36 HD3 PRO 4 HD3 PRO 4 27.966 1.912 1.469 37 H SER 5 H SER 5 22.315 1.597 2.220 38 HA SER 5 HA SER 5 21.942 -0.971 3.330 39 HB2 SER 5 HB2 SER 5 20.013 0.879 1.906 40 HB3 SER 5 HB3 SER 5 19.525 -0.620 2.729 41 HG SER 5 HG SER 5 19.325 1.243 4.086 42 H ASP 6 H ASP 6 21.545 0.217 -0.008 43 HA ASP 6 HA ASP 6 20.445 -2.020 -1.179 44 HB2 ASP 6 HB2 ASP 6 22.429 -0.033 -2.419 45 HB3 ASP 6 HB3 ASP 6 21.569 -1.385 -3.195 46 H AIB 7 H AIB 7 21.153 -3.947 -1.957 47 HB11 AIB 7 HB11 AIB 7 24.362 -6.166 -0.508 48 HB12 AIB 7 HB12 AIB 7 24.270 -4.456 -0.021 49 HB13 AIB 7 HB13 AIB 7 22.933 -5.566 0.364 50 HB21 AIB 7 HB21 AIB 7 21.748 -6.646 -1.390 51 HB22 AIB 7 HB22 AIB 7 22.598 -6.725 -2.878 52 HB23 AIB 7 HB23 AIB 7 21.244 -5.685 -2.717 53 H ALA 8 H ALA 8 22.957 -3.854 -4.047 54 HA ALA 8 HA ALA 8 25.337 -4.815 -5.164 55 HB1 ALA 8 HB1 ALA 8 25.070 -3.037 -6.848 56 HB2 ALA 8 HB2 ALA 8 23.818 -2.285 -5.833 57 HB3 ALA 8 HB3 ALA 8 23.545 -3.898 -6.533 58 H ALA 9 H ALA 9 24.684 -1.638 -3.658 59 HA ALA 9 HA ALA 9 27.289 -0.646 -4.197 60 HB1 ALA 9 HB1 ALA 9 26.654 1.256 -2.773 61 HB2 ALA 9 HB2 ALA 9 25.193 0.374 -2.274 62 HB3 ALA 9 HB3 ALA 9 25.398 0.864 -3.972 63 H TYR 10 H TYR 10 25.871 -2.369 -1.494 64 HA TYR 10 HA TYR 10 27.752 -1.763 0.491 65 HB2 TYR 10 HB2 TYR 10 25.621 -2.846 0.954 66 HB3 TYR 10 HB3 TYR 10 26.158 -4.291 0.063 67 HD1 TYR 10 HD1 TYR 10 26.944 -2.201 3.059 68 HD2 TYR 10 HD2 TYR 10 27.334 -6.006 1.197 69 HE1 TYR 10 HE1 TYR 10 27.907 -3.112 5.132 70 HE2 TYR 10 HE2 TYR 10 28.304 -6.924 3.261 71 HH TYR 10 HH TYR 10 28.913 -6.513 5.352 72 H ALA 11 H ALA 11 27.858 -4.051 -2.173 73 HA ALA 11 HA ALA 11 30.088 -5.554 -1.238 74 HB1 ALA 11 HB1 ALA 11 30.177 -6.460 -3.526 75 HB2 ALA 11 HB2 ALA 11 28.979 -5.250 -4.038 76 HB3 ALA 11 HB3 ALA 11 28.529 -6.500 -2.855 77 H GLN 12 H GLN 12 29.766 -3.031 -3.754 78 HA GLN 12 HA GLN 12 32.505 -2.811 -4.339 79 HB2 GLN 12 HB2 GLN 12 30.360 -1.827 -5.491 80 HB3 GLN 12 HB3 GLN 12 30.718 -0.424 -4.456 81 HG2 GLN 12 HG2 GLN 12 32.008 0.031 -6.667 82 HG3 GLN 12 HG3 GLN 12 32.909 -0.494 -5.225 83 HE21 GLN 12 HE22 GLN 12 34.641 -1.516 -6.081 84 HE22 GLN 12 HE21 GLN 12 34.555 -2.850 -7.184 85 H TRP 13 H TRP 13 30.504 -1.334 -1.856 86 HA TRP 13 HA TRP 13 32.224 0.667 -0.947 87 HB2 TRP 13 HB2 TRP 13 29.884 0.482 -0.176 88 HB3 TRP 13 HB3 TRP 13 30.271 -1.044 0.655 89 HD1 TRP 13 HD1 TRP 13 30.976 2.740 0.904 90 HE1 TRP 13 HE1 TRP 13 31.557 3.261 3.358 91 HE3 TRP 13 HE3 TRP 13 31.081 -2.020 2.735 92 HZ2 TRP 13 HZ2 TRP 13 31.997 1.837 5.757 93 HZ3 TRP 13 HZ3 TRP 13 31.594 -2.365 5.118 94 HH2 TRP 13 HH2 TRP 13 32.045 -0.473 6.597 95 H LEU 14 H LEU 14 31.994 -2.763 -0.016 96 HA LEU 14 HA LEU 14 34.038 -2.754 1.929 97 HB2 LEU 14 HB2 LEU 14 32.991 -4.791 0.095 98 HB3 LEU 14 HB3 LEU 14 34.151 -5.297 1.345 99 HG LEU 14 HG LEU 14 31.386 -4.126 1.861 100 HD11 LEU 14 HD11 LEU 14 30.809 -6.367 2.666 101 HD12 LEU 14 HD12 LEU 14 31.265 -6.383 0.946 102 HD13 LEU 14 HD13 LEU 14 32.417 -6.951 2.178 103 HD21 LEU 14 HD21 LEU 14 31.802 -4.718 4.206 104 HD22 LEU 14 HD22 LEU 14 33.446 -5.252 3.779 105 HD23 LEU 14 HD23 LEU 14 32.996 -3.538 3.615 106 H ALA 15 H ALA 15 34.066 -3.364 -1.556 107 HA ALA 15 HA ALA 15 36.710 -4.184 -1.864 108 HB1 ALA 15 HB1 ALA 15 36.463 -3.521 -4.222 109 HB2 ALA 15 HB2 ALA 15 34.959 -2.668 -3.807 110 HB3 ALA 15 HB3 ALA 15 35.058 -4.435 -3.624 111 H ASP 16 H ASP 16 35.388 -0.937 -1.534 112 HA ASP 16 HA ASP 16 37.940 0.291 -2.213 113 HB2 ASP 16 HB2 ASP 16 35.269 1.181 -2.477 114 HB3 ASP 16 HB3 ASP 16 35.957 1.936 -1.018 115 H DAL 17 H DAL 17 37.391 -1.379 0.342 116 HA DAL 17 HA DAL 17 38.924 0.327 2.092 117 HB1 DAL 17 HB1 DAL 17 39.015 -1.634 3.575 118 HB2 DAL 17 HB2 DAL 17 39.510 -2.022 1.911 119 HB3 DAL 17 HB3 DAL 17 37.893 -2.488 2.489 120 H GLY 18 H GLY 18 35.607 -0.218 1.602 121 HA2 GLY 18 HA2 GLY 18 33.720 0.421 2.741 122 HA3 GLY 18 HA3 GLY 18 34.560 -0.132 4.208 123 H TRP 19 H TRP 19 35.120 1.342 5.676 124 HA TRP 19 HA TRP 19 34.280 4.023 5.432 125 HB2 TRP 19 HB2 TRP 19 35.997 2.586 7.475 126 HB3 TRP 19 HB3 TRP 19 35.615 4.319 7.611 127 HD1 TRP 19 HD1 TRP 19 34.346 1.022 8.608 128 HE1 TRP 19 HE1 TRP 19 31.934 1.208 9.485 129 HE3 TRP 19 HE3 TRP 19 33.247 5.733 6.962 130 HZ2 TRP 19 HZ2 TRP 19 29.841 3.104 9.479 131 HZ3 TRP 19 HZ3 TRP 19 31.017 6.659 7.437 132 HH2 TRP 19 HH2 TRP 19 29.350 5.369 8.669 133 H ALA 20 H ALA 20 37.348 2.453 4.819 134 HA ALA 20 HA ALA 20 38.744 4.997 4.529 135 HB1 ALA 20 HB1 ALA 20 40.734 3.612 4.102 136 HB2 ALA 20 HB2 ALA 20 39.720 2.153 4.186 137 HB3 ALA 20 HB3 ALA 20 39.928 3.176 5.627 138 H SER 21 H SER 21 36.627 4.755 2.737 139 HA SER 21 HA SER 21 37.813 3.999 0.170 140 HB2 SER 21 HB2 SER 21 35.622 3.090 0.502 141 HB3 SER 21 HB3 SER 21 34.979 4.675 0.991 142 HG SER 21 HG SER 21 34.504 4.070 -1.227 Start of MODEL 17 1 H1 ARG 1 H1 ARG 1 32.771 7.211 0.361 2 H2 ARG 1 H2 ARG 1 32.675 8.341 1.342 3 H3 ARG 1 H3 ARG 1 32.923 6.944 1.829 4 HA ARG 1 HA ARG 1 30.357 8.146 1.543 5 HB2 ARG 1 HB2 ARG 1 29.216 6.690 0.038 6 HB3 ARG 1 HB3 ARG 1 30.640 7.371 -0.784 7 HG2 ARG 1 HG2 ARG 1 31.705 5.076 0.187 8 HG3 ARG 1 HG3 ARG 1 30.017 4.559 -0.038 9 HD2 ARG 1 HD2 ARG 1 30.891 6.062 -2.340 10 HD3 ARG 1 HD3 ARG 1 32.055 4.761 -1.996 11 HE ARG 1 HE ARG 1 29.226 4.443 -2.699 12 HH11 ARG 1 HH11 ARG 1 32.317 2.974 -1.939 13 HH12 ARG 1 HH12 ARG 1 31.850 1.399 -2.549 14 HH21 ARG 1 HH21 ARG 1 28.619 2.398 -3.487 15 HH22 ARG 1 HH22 ARG 1 29.766 1.075 -3.420 16 HA PRO 2 HA PRO 2 29.910 5.382 5.029 17 HB2 PRO 2 HB2 PRO 2 27.005 5.976 4.985 18 HB3 PRO 2 HB3 PRO 2 28.198 6.379 6.228 19 HG2 PRO 2 HG2 PRO 2 27.086 8.261 4.607 20 HG3 PRO 2 HG3 PRO 2 28.723 8.420 5.259 21 HD2 PRO 2 HD2 PRO 2 27.855 7.615 2.471 22 HD3 PRO 2 HD3 PRO 2 29.240 8.594 2.971 23 HA PRO 3 HA PRO 3 28.490 1.445 3.598 24 HB2 PRO 3 HB2 PRO 3 26.922 0.611 5.794 25 HB3 PRO 3 HB3 PRO 3 28.669 0.378 5.641 26 HG2 PRO 3 HG2 PRO 3 27.152 2.518 7.123 27 HG3 PRO 3 HG3 PRO 3 28.655 1.697 7.564 28 HD2 PRO 3 HD2 PRO 3 28.700 4.223 6.583 29 HD3 PRO 3 HD3 PRO 3 29.978 3.078 6.159 30 HA PRO 4 HA PRO 4 24.388 2.704 2.168 31 HB2 PRO 4 HB2 PRO 4 24.468 1.466 -0.244 32 HB3 PRO 4 HB3 PRO 4 25.383 2.950 0.057 33 HG2 PRO 4 HG2 PRO 4 26.348 0.075 0.074 34 HG3 PRO 4 HG3 PRO 4 27.123 1.506 -0.619 35 HD2 PRO 4 HD2 PRO 4 27.824 0.438 1.849 36 HD3 PRO 4 HD3 PRO 4 28.069 2.138 1.430 37 H SER 5 H SER 5 22.463 1.747 2.464 38 HA SER 5 HA SER 5 22.168 -0.729 3.676 39 HB2 SER 5 HB2 SER 5 20.159 0.920 2.127 40 HB3 SER 5 HB3 SER 5 19.731 -0.508 3.097 41 HG SER 5 HG SER 5 19.504 1.469 4.278 42 H ASP 6 H ASP 6 21.441 0.090 0.274 43 HA ASP 6 HA ASP 6 20.410 -2.287 -0.601 44 HB2 ASP 6 HB2 ASP 6 22.235 -0.382 -2.181 45 HB3 ASP 6 HB3 ASP 6 21.370 -1.832 -2.750 46 H AIB 7 H AIB 7 21.290 -4.110 -1.761 47 HB11 AIB 7 HB11 AIB 7 24.525 -6.200 -0.055 48 HB12 AIB 7 HB12 AIB 7 24.410 -4.463 0.316 49 HB13 AIB 7 HB13 AIB 7 23.111 -5.569 0.820 50 HB21 AIB 7 HB21 AIB 7 21.845 -6.749 -0.795 51 HB22 AIB 7 HB22 AIB 7 22.707 -6.989 -2.258 52 HB23 AIB 7 HB23 AIB 7 21.354 -5.937 -2.223 53 H ALA 8 H ALA 8 23.018 -4.089 -3.655 54 HA ALA 8 HA ALA 8 25.340 -5.206 -4.772 55 HB1 ALA 8 HB1 ALA 8 25.024 -3.596 -6.607 56 HB2 ALA 8 HB2 ALA 8 23.810 -2.742 -5.627 57 HB3 ALA 8 HB3 ALA 8 23.510 -4.414 -6.156 58 H ALA 9 H ALA 9 24.797 -1.822 -3.710 59 HA ALA 9 HA ALA 9 27.464 -1.040 -4.244 60 HB1 ALA 9 HB1 ALA 9 26.911 1.037 -3.049 61 HB2 ALA 9 HB2 ALA 9 25.385 0.300 -2.510 62 HB3 ALA 9 HB3 ALA 9 25.669 0.589 -4.242 63 H TYR 10 H TYR 10 25.926 -2.411 -1.393 64 HA TYR 10 HA TYR 10 27.808 -1.622 0.531 65 HB2 TYR 10 HB2 TYR 10 25.562 -2.714 0.913 66 HB3 TYR 10 HB3 TYR 10 26.365 -4.259 0.543 67 HD1 TYR 10 HD1 TYR 10 26.839 -1.263 2.761 68 HD2 TYR 10 HD2 TYR 10 27.216 -5.480 2.349 69 HE1 TYR 10 HE1 TYR 10 27.600 -1.415 5.091 70 HE2 TYR 10 HE2 TYR 10 27.980 -5.643 4.681 71 HH TYR 10 HH TYR 10 27.507 -3.691 6.915 72 H ALA 11 H ALA 11 27.869 -4.214 -1.840 73 HA ALA 11 HA ALA 11 30.049 -5.664 -0.745 74 HB1 ALA 11 HB1 ALA 11 30.179 -6.750 -2.951 75 HB2 ALA 11 HB2 ALA 11 29.026 -5.557 -3.591 76 HB3 ALA 11 HB3 ALA 11 28.513 -6.699 -2.327 77 H GLN 12 H GLN 12 29.874 -3.366 -3.486 78 HA GLN 12 HA GLN 12 32.628 -3.243 -3.998 79 HB2 GLN 12 HB2 GLN 12 30.557 -2.311 -5.293 80 HB3 GLN 12 HB3 GLN 12 30.879 -0.845 -4.338 81 HG2 GLN 12 HG2 GLN 12 32.259 -0.545 -6.525 82 HG3 GLN 12 HG3 GLN 12 33.095 -0.959 -5.010 83 HE21 GLN 12 HE22 GLN 12 34.812 -2.165 -5.528 84 HE22 GLN 12 HE21 GLN 12 34.800 -3.524 -6.602 85 H TRP 13 H TRP 13 30.597 -1.547 -1.700 86 HA TRP 13 HA TRP 13 32.321 0.483 -0.866 87 HB2 TRP 13 HB2 TRP 13 29.946 0.370 -0.186 88 HB3 TRP 13 HB3 TRP 13 30.287 -1.091 0.772 89 HD1 TRP 13 HD1 TRP 13 31.168 2.677 0.738 90 HE1 TRP 13 HE1 TRP 13 31.574 3.382 3.179 91 HE3 TRP 13 HE3 TRP 13 30.785 -1.891 2.984 92 HZ2 TRP 13 HZ2 TRP 13 31.715 2.169 5.724 93 HZ3 TRP 13 HZ3 TRP 13 31.072 -2.041 5.425 94 HH2 TRP 13 HH2 TRP 13 31.526 -0.050 6.766 95 H LEU 14 H LEU 14 31.935 -2.837 0.372 96 HA LEU 14 HA LEU 14 33.914 -2.729 2.366 97 HB2 LEU 14 HB2 LEU 14 32.862 -4.884 0.673 98 HB3 LEU 14 HB3 LEU 14 33.952 -5.317 2.010 99 HG LEU 14 HG LEU 14 31.218 -4.007 2.304 100 HD11 LEU 14 HD11 LEU 14 30.517 -6.140 3.282 101 HD12 LEU 14 HD12 LEU 14 31.037 -6.329 1.591 102 HD13 LEU 14 HD13 LEU 14 32.117 -6.826 2.915 103 HD21 LEU 14 HD21 LEU 14 31.518 -4.392 4.708 104 HD22 LEU 14 HD22 LEU 14 33.155 -5.022 4.400 105 HD23 LEU 14 HD23 LEU 14 32.779 -3.315 4.062 106 H ALA 15 H ALA 15 34.051 -3.675 -1.043 107 HA ALA 15 HA ALA 15 36.725 -4.526 -1.122 108 HB1 ALA 15 HB1 ALA 15 36.547 -4.235 -3.563 109 HB2 ALA 15 HB2 ALA 15 35.013 -3.365 -3.330 110 HB3 ALA 15 HB3 ALA 15 35.139 -5.081 -2.878 111 H ASP 16 H ASP 16 35.328 -1.312 -1.238 112 HA ASP 16 HA ASP 16 37.835 -0.104 -2.083 113 HB2 ASP 16 HB2 ASP 16 35.112 0.672 -2.376 114 HB3 ASP 16 HB3 ASP 16 35.858 1.651 -1.088 115 H DAL 17 H DAL 17 37.287 -1.449 0.679 116 HA DAL 17 HA DAL 17 38.829 0.470 2.183 117 HB1 DAL 17 HB1 DAL 17 38.930 -1.284 3.907 118 HB2 DAL 17 HB2 DAL 17 39.418 -1.881 2.304 119 HB3 DAL 17 HB3 DAL 17 37.804 -2.271 2.944 120 H GLY 18 H GLY 18 35.496 -0.239 1.846 121 HA2 GLY 18 HA2 GLY 18 33.615 0.546 2.908 122 HA3 GLY 18 HA3 GLY 18 34.497 0.242 4.423 123 H TRP 19 H TRP 19 35.164 1.930 5.610 124 HA TRP 19 HA TRP 19 34.186 4.518 5.046 125 HB2 TRP 19 HB2 TRP 19 36.087 3.450 7.148 126 HB3 TRP 19 HB3 TRP 19 35.659 5.175 7.055 127 HD1 TRP 19 HD1 TRP 19 34.603 2.088 8.687 128 HE1 TRP 19 HE1 TRP 19 32.233 2.327 9.662 129 HE3 TRP 19 HE3 TRP 19 33.155 6.355 6.270 130 HZ2 TRP 19 HZ2 TRP 19 30.039 4.092 9.437 131 HZ3 TRP 19 HZ3 TRP 19 30.907 7.252 6.706 132 HH2 TRP 19 HH2 TRP 19 29.382 6.142 8.255 133 H ALA 20 H ALA 20 37.251 2.978 4.384 134 HA ALA 20 HA ALA 20 38.503 5.512 3.655 135 HB1 ALA 20 HB1 ALA 20 40.527 4.164 3.271 136 HB2 ALA 20 HB2 ALA 20 39.598 2.692 3.637 137 HB3 ALA 20 HB3 ALA 20 39.856 3.918 4.901 138 H SER 21 H SER 21 36.262 4.868 2.093 139 HA SER 21 HA SER 21 37.308 3.822 -0.426 140 HB2 SER 21 HB2 SER 21 35.180 2.905 0.249 141 HB3 SER 21 HB3 SER 21 34.499 4.534 0.459 142 HG SER 21 HG SER 21 34.157 4.644 -1.630 Start of MODEL 18 1 H1 ARG 1 H1 ARG 1 32.662 7.712 1.095 2 H2 ARG 1 H2 ARG 1 32.467 8.709 2.199 3 H3 ARG 1 H3 ARG 1 32.845 7.295 2.524 4 HA ARG 1 HA ARG 1 30.179 8.281 2.371 5 HB2 ARG 1 HB2 ARG 1 29.200 6.716 0.743 6 HB3 ARG 1 HB3 ARG 1 30.312 7.899 0.016 7 HG2 ARG 1 HG2 ARG 1 32.090 6.161 -0.013 8 HG3 ARG 1 HG3 ARG 1 30.917 4.984 0.626 9 HD2 ARG 1 HD2 ARG 1 30.516 6.516 -1.964 10 HD3 ARG 1 HD3 ARG 1 31.274 4.908 -1.883 11 HE ARG 1 HE ARG 1 29.203 3.984 -1.313 12 HH11 ARG 1 HH11 ARG 1 28.961 7.454 -1.748 13 HH12 ARG 1 HH12 ARG 1 27.213 7.433 -1.871 14 HH21 ARG 1 HH21 ARG 1 26.938 3.956 -1.469 15 HH22 ARG 1 HH22 ARG 1 26.073 5.461 -1.713 16 HA PRO 2 HA PRO 2 29.863 4.969 5.308 17 HB2 PRO 2 HB2 PRO 2 27.269 5.263 6.051 18 HB3 PRO 2 HB3 PRO 2 28.473 6.499 6.442 19 HG2 PRO 2 HG2 PRO 2 26.411 6.471 4.231 20 HG3 PRO 2 HG3 PRO 2 26.945 7.819 5.244 21 HD2 PRO 2 HD2 PRO 2 27.861 7.341 2.634 22 HD3 PRO 2 HD3 PRO 2 28.722 8.326 3.823 23 HA PRO 3 HA PRO 3 28.409 1.180 3.545 24 HB2 PRO 3 HB2 PRO 3 26.712 0.692 5.963 25 HB3 PRO 3 HB3 PRO 3 27.998 -0.314 5.281 26 HG2 PRO 3 HG2 PRO 3 28.307 1.207 7.544 27 HG3 PRO 3 HG3 PRO 3 29.650 0.755 6.485 28 HD2 PRO 3 HD2 PRO 3 28.378 3.416 6.859 29 HD3 PRO 3 HD3 PRO 3 29.965 3.023 6.188 30 HA PRO 4 HA PRO 4 24.376 2.624 2.098 31 HB2 PRO 4 HB2 PRO 4 24.399 1.350 -0.307 32 HB3 PRO 4 HB3 PRO 4 25.360 2.806 -0.018 33 HG2 PRO 4 HG2 PRO 4 26.231 -0.094 0.007 34 HG3 PRO 4 HG3 PRO 4 27.060 1.315 -0.669 35 HD2 PRO 4 HD2 PRO 4 27.708 0.212 1.795 36 HD3 PRO 4 HD3 PRO 4 27.998 1.911 1.398 37 H SER 5 H SER 5 22.328 1.737 1.957 38 HA SER 5 HA SER 5 21.852 -0.733 3.240 39 HB2 SER 5 HB2 SER 5 20.023 1.050 1.616 40 HB3 SER 5 HB3 SER 5 19.469 -0.375 2.526 41 HG SER 5 HG SER 5 19.266 1.587 3.738 42 H ASP 6 H ASP 6 21.594 0.208 -0.192 43 HA ASP 6 HA ASP 6 20.470 -2.119 -1.183 44 HB2 ASP 6 HB2 ASP 6 22.422 -0.207 -2.584 45 HB3 ASP 6 HB3 ASP 6 21.581 -1.629 -3.250 46 H AIB 7 H AIB 7 21.231 -4.058 -1.959 47 HB11 AIB 7 HB11 AIB 7 24.392 -6.251 -0.365 48 HB12 AIB 7 HB12 AIB 7 24.286 -4.541 0.116 49 HB13 AIB 7 HB13 AIB 7 22.939 -5.650 0.465 50 HB21 AIB 7 HB21 AIB 7 21.806 -6.717 -1.226 51 HB22 AIB 7 HB22 AIB 7 22.654 -6.845 -2.711 52 HB23 AIB 7 HB23 AIB 7 21.309 -5.791 -2.580 53 H ALA 8 H ALA 8 23.066 -4.050 -3.983 54 HA ALA 8 HA ALA 8 25.459 -5.067 -5.017 55 HB1 ALA 8 HB1 ALA 8 25.225 -3.367 -6.784 56 HB2 ALA 8 HB2 ALA 8 23.960 -2.566 -5.824 57 HB3 ALA 8 HB3 ALA 8 23.693 -4.209 -6.454 58 H ALA 9 H ALA 9 24.798 -1.818 -3.666 59 HA ALA 9 HA ALA 9 27.427 -0.877 -4.195 60 HB1 ALA 9 HB1 ALA 9 26.785 1.098 -2.878 61 HB2 ALA 9 HB2 ALA 9 25.301 0.258 -2.372 62 HB3 ALA 9 HB3 ALA 9 25.551 0.665 -4.086 63 H TYR 10 H TYR 10 25.933 -2.472 -1.460 64 HA TYR 10 HA TYR 10 27.766 -1.785 0.543 65 HB2 TYR 10 HB2 TYR 10 25.618 -2.841 0.998 66 HB3 TYR 10 HB3 TYR 10 26.176 -4.326 0.191 67 HD1 TYR 10 HD1 TYR 10 26.897 -2.095 3.098 68 HD2 TYR 10 HD2 TYR 10 27.314 -5.986 1.437 69 HE1 TYR 10 HE1 TYR 10 27.802 -2.905 5.237 70 HE2 TYR 10 HE2 TYR 10 28.227 -6.806 3.566 71 HH TYR 10 HH TYR 10 28.607 -4.642 6.358 72 H ALA 11 H ALA 11 27.935 -4.174 -2.022 73 HA ALA 11 HA ALA 11 30.135 -5.642 -0.963 74 HB1 ALA 11 HB1 ALA 11 30.274 -6.655 -3.203 75 HB2 ALA 11 HB2 ALA 11 29.089 -5.469 -3.797 76 HB3 ALA 11 HB3 ALA 11 28.612 -6.663 -2.567 77 H GLN 12 H GLN 12 29.879 -3.230 -3.599 78 HA GLN 12 HA GLN 12 32.638 -3.046 -4.119 79 HB2 GLN 12 HB2 GLN 12 30.534 -2.114 -5.380 80 HB3 GLN 12 HB3 GLN 12 30.858 -0.666 -4.397 81 HG2 GLN 12 HG2 GLN 12 33.066 -1.809 -6.329 82 HG3 GLN 12 HG3 GLN 12 31.667 -0.745 -6.602 83 HE21 GLN 12 HE22 GLN 12 34.872 -1.056 -5.285 84 HE22 GLN 12 HE21 GLN 12 35.068 0.596 -4.803 85 H TRP 13 H TRP 13 30.565 -1.447 -1.774 86 HA TRP 13 HA TRP 13 32.251 0.590 -0.898 87 HB2 TRP 13 HB2 TRP 13 29.883 0.404 -0.196 88 HB3 TRP 13 HB3 TRP 13 30.272 -1.065 0.731 89 HD1 TRP 13 HD1 TRP 13 30.907 2.739 0.782 90 HE1 TRP 13 HE1 TRP 13 31.387 3.406 3.220 91 HE3 TRP 13 HE3 TRP 13 31.028 -1.909 2.879 92 HZ2 TRP 13 HZ2 TRP 13 31.767 2.128 5.711 93 HZ3 TRP 13 HZ3 TRP 13 31.461 -2.112 5.293 94 HH2 TRP 13 HH2 TRP 13 31.825 -0.131 6.679 95 H LEU 14 H LEU 14 32.007 -2.796 0.178 96 HA LEU 14 HA LEU 14 34.004 -2.690 2.171 97 HB2 LEU 14 HB2 LEU 14 32.987 -4.815 0.422 98 HB3 LEU 14 HB3 LEU 14 34.121 -5.261 1.718 99 HG LEU 14 HG LEU 14 31.350 -4.058 2.118 100 HD11 LEU 14 HD11 LEU 14 30.756 -6.254 3.030 101 HD12 LEU 14 HD12 LEU 14 31.247 -6.363 1.324 102 HD13 LEU 14 HD13 LEU 14 32.374 -6.861 2.609 103 HD21 LEU 14 HD21 LEU 14 31.720 -4.522 4.499 104 HD22 LEU 14 HD22 LEU 14 33.370 -5.083 4.133 105 HD23 LEU 14 HD23 LEU 14 32.930 -3.379 3.869 106 H ALA 15 H ALA 15 34.110 -3.542 -1.267 107 HA ALA 15 HA ALA 15 36.763 -4.357 -1.465 108 HB1 ALA 15 HB1 ALA 15 36.567 -3.845 -3.866 109 HB2 ALA 15 HB2 ALA 15 35.053 -2.971 -3.538 110 HB3 ALA 15 HB3 ALA 15 35.150 -4.723 -3.242 111 H ASP 16 H ASP 16 35.420 -1.107 -1.367 112 HA ASP 16 HA ASP 16 37.976 0.095 -2.071 113 HB2 ASP 16 HB2 ASP 16 35.273 0.946 -2.383 114 HB3 ASP 16 HB3 ASP 16 36.014 1.836 -1.030 115 H DAL 17 H DAL 17 37.378 -1.414 0.576 116 HA DAL 17 HA DAL 17 38.881 0.393 2.244 117 HB1 DAL 17 HB1 DAL 17 38.921 -1.468 3.854 118 HB2 DAL 17 HB2 DAL 17 39.446 -1.968 2.230 119 HB3 DAL 17 HB3 DAL 17 37.813 -2.380 2.802 120 H GLY 18 H GLY 18 35.551 -0.347 1.806 121 HA2 GLY 18 HA2 GLY 18 33.643 0.383 2.856 122 HA3 GLY 18 HA3 GLY 18 34.499 0.023 4.374 123 H TRP 19 H TRP 19 35.065 1.666 5.659 124 HA TRP 19 HA TRP 19 34.094 4.266 5.152 125 HB2 TRP 19 HB2 TRP 19 35.829 3.063 7.309 126 HB3 TRP 19 HB3 TRP 19 35.553 4.820 7.247 127 HD1 TRP 19 HD1 TRP 19 34.095 1.728 8.611 128 HE1 TRP 19 HE1 TRP 19 31.723 2.170 9.504 129 HE3 TRP 19 HE3 TRP 19 33.285 6.319 6.518 130 HZ2 TRP 19 HZ2 TRP 19 29.765 4.201 9.342 131 HZ3 TRP 19 HZ3 TRP 19 31.138 7.445 6.935 132 HH2 TRP 19 HH2 TRP 19 29.415 6.405 8.317 133 H ALA 20 H ALA 20 37.211 2.776 4.608 134 HA ALA 20 HA ALA 20 38.486 5.337 4.048 135 HB1 ALA 20 HB1 ALA 20 40.522 4.003 3.675 136 HB2 ALA 20 HB2 ALA 20 39.575 2.517 3.920 137 HB3 ALA 20 HB3 ALA 20 39.782 3.670 5.259 138 H SER 21 H SER 21 36.319 4.819 2.361 139 HA SER 21 HA SER 21 37.470 3.907 -0.168 140 HB2 SER 21 HB2 SER 21 35.338 2.925 0.325 141 HB3 SER 21 HB3 SER 21 34.628 4.517 0.676 142 HG SER 21 HG SER 21 34.182 3.595 -1.482 Start of MODEL 19 1 H1 ARG 1 H1 ARG 1 32.822 7.665 2.052 2 H2 ARG 1 H2 ARG 1 32.602 8.517 3.267 3 H3 ARG 1 H3 ARG 1 32.976 7.072 3.421 4 HA ARG 1 HA ARG 1 30.313 8.071 3.339 5 HB2 ARG 1 HB2 ARG 1 29.357 6.774 1.503 6 HB3 ARG 1 HB3 ARG 1 30.540 7.980 0.945 7 HG2 ARG 1 HG2 ARG 1 32.250 6.127 0.850 8 HG3 ARG 1 HG3 ARG 1 30.930 4.978 1.181 9 HD2 ARG 1 HD2 ARG 1 30.990 6.905 -1.168 10 HD3 ARG 1 HD3 ARG 1 31.493 5.201 -1.251 11 HE ARG 1 HE ARG 1 29.252 4.553 -0.989 12 HH11 ARG 1 HH11 ARG 1 29.584 8.043 -1.030 13 HH12 ARG 1 HH12 ARG 1 27.883 8.317 -1.352 14 HH21 ARG 1 HH21 ARG 1 27.047 4.909 -1.409 15 HH22 ARG 1 HH22 ARG 1 26.454 6.551 -1.565 16 HA PRO 2 HA PRO 2 29.952 4.411 5.823 17 HB2 PRO 2 HB2 PRO 2 27.358 4.630 6.581 18 HB3 PRO 2 HB3 PRO 2 28.566 5.802 7.127 19 HG2 PRO 2 HG2 PRO 2 26.514 6.060 4.920 20 HG3 PRO 2 HG3 PRO 2 27.055 7.271 6.091 21 HD2 PRO 2 HD2 PRO 2 27.980 7.093 3.442 22 HD3 PRO 2 HD3 PRO 2 28.833 7.936 4.741 23 HA PRO 3 HA PRO 3 28.480 0.913 3.543 24 HB2 PRO 3 HB2 PRO 3 26.861 0.016 5.883 25 HB3 PRO 3 HB3 PRO 3 28.181 -0.821 5.054 26 HG2 PRO 3 HG2 PRO 3 28.430 0.373 7.521 27 HG3 PRO 3 HG3 PRO 3 29.788 0.093 6.422 28 HD2 PRO 3 HD2 PRO 3 28.472 2.655 7.148 29 HD3 PRO 3 HD3 PRO 3 30.063 2.383 6.425 30 HA PRO 4 HA PRO 4 24.380 2.425 2.422 31 HB2 PRO 4 HB2 PRO 4 24.307 1.417 -0.097 32 HB3 PRO 4 HB3 PRO 4 25.306 2.820 0.305 33 HG2 PRO 4 HG2 PRO 4 26.123 -0.085 0.015 34 HG3 PRO 4 HG3 PRO 4 26.945 1.367 -0.571 35 HD2 PRO 4 HD2 PRO 4 27.690 0.043 1.748 36 HD3 PRO 4 HD3 PRO 4 27.978 1.769 1.498 37 H SER 5 H SER 5 22.320 1.539 2.239 38 HA SER 5 HA SER 5 21.898 -1.049 3.290 39 HB2 SER 5 HB2 SER 5 20.011 0.869 1.904 40 HB3 SER 5 HB3 SER 5 19.492 -0.643 2.683 41 HG SER 5 HG SER 5 19.314 1.186 4.089 42 H ASP 6 H ASP 6 21.605 0.228 -0.020 43 HA ASP 6 HA ASP 6 20.421 -1.969 -1.224 44 HB2 ASP 6 HB2 ASP 6 22.362 0.070 -2.446 45 HB3 ASP 6 HB3 ASP 6 21.509 -1.272 -3.249 46 H AIB 7 H AIB 7 21.115 -3.850 -2.138 47 HB11 AIB 7 HB11 AIB 7 24.321 -6.141 -0.817 48 HB12 AIB 7 HB12 AIB 7 24.237 -4.454 -0.257 49 HB13 AIB 7 HB13 AIB 7 22.899 -5.575 0.089 50 HB21 AIB 7 HB21 AIB 7 21.710 -6.585 -1.705 51 HB22 AIB 7 HB22 AIB 7 22.555 -6.596 -3.197 52 HB23 AIB 7 HB23 AIB 7 21.200 -5.567 -2.987 53 H ALA 8 H ALA 8 22.886 -3.697 -4.250 54 HA ALA 8 HA ALA 8 25.266 -4.588 -5.423 55 HB1 ALA 8 HB1 ALA 8 24.981 -2.738 -7.023 56 HB2 ALA 8 HB2 ALA 8 23.730 -2.039 -5.969 57 HB3 ALA 8 HB3 ALA 8 23.461 -3.620 -6.739 58 H ALA 9 H ALA 9 24.597 -1.480 -3.787 59 HA ALA 9 HA ALA 9 27.188 -0.442 -4.281 60 HB1 ALA 9 HB1 ALA 9 26.553 1.372 -2.748 61 HB2 ALA 9 HB2 ALA 9 25.105 0.450 -2.282 62 HB3 ALA 9 HB3 ALA 9 25.287 1.035 -3.953 63 H TYR 10 H TYR 10 25.810 -2.317 -1.657 64 HA TYR 10 HA TYR 10 27.706 -1.802 0.337 65 HB2 TYR 10 HB2 TYR 10 25.594 -2.938 0.760 66 HB3 TYR 10 HB3 TYR 10 26.143 -4.326 -0.211 67 HD1 TYR 10 HD1 TYR 10 26.938 -2.381 2.878 68 HD2 TYR 10 HD2 TYR 10 27.359 -6.078 0.819 69 HE1 TYR 10 HE1 TYR 10 27.940 -3.380 4.889 70 HE2 TYR 10 HE2 TYR 10 28.368 -7.087 2.821 71 HH TYR 10 HH TYR 10 28.996 -6.775 4.925 72 H ALA 11 H ALA 11 27.823 -3.923 -2.457 73 HA ALA 11 HA ALA 11 30.083 -5.446 -1.620 74 HB1 ALA 11 HB1 ALA 11 30.156 -6.235 -3.952 75 HB2 ALA 11 HB2 ALA 11 28.932 -5.021 -4.387 76 HB3 ALA 11 HB3 ALA 11 28.519 -6.336 -3.262 77 H GLN 12 H GLN 12 29.692 -2.794 -3.993 78 HA GLN 12 HA GLN 12 32.425 -2.509 -4.595 79 HB2 GLN 12 HB2 GLN 12 30.255 -1.505 -5.680 80 HB3 GLN 12 HB3 GLN 12 30.601 -0.148 -4.582 81 HG2 GLN 12 HG2 GLN 12 31.877 0.447 -6.761 82 HG3 GLN 12 HG3 GLN 12 32.799 -0.175 -5.373 83 HE21 GLN 12 HE22 GLN 12 34.529 -1.049 -6.428 84 HE22 GLN 12 HE21 GLN 12 34.413 -2.341 -7.576 85 H TRP 13 H TRP 13 30.422 -1.205 -2.023 86 HA TRP 13 HA TRP 13 32.102 0.787 -1.020 87 HB2 TRP 13 HB2 TRP 13 29.766 0.489 -0.256 88 HB3 TRP 13 HB3 TRP 13 30.210 -1.058 0.504 89 HD1 TRP 13 HD1 TRP 13 30.759 2.735 0.932 90 HE1 TRP 13 HE1 TRP 13 31.329 3.155 3.408 91 HE3 TRP 13 HE3 TRP 13 31.090 -2.102 2.518 92 HZ2 TRP 13 HZ2 TRP 13 31.847 1.632 5.731 93 HZ3 TRP 13 HZ3 TRP 13 31.633 -2.545 4.878 94 HH2 TRP 13 HH2 TRP 13 32.005 -0.712 6.450 95 H LEU 14 H LEU 14 31.963 -2.694 -0.290 96 HA LEU 14 HA LEU 14 34.026 -2.746 1.640 97 HB2 LEU 14 HB2 LEU 14 32.990 -4.708 -0.281 98 HB3 LEU 14 HB3 LEU 14 34.174 -5.255 0.929 99 HG LEU 14 HG LEU 14 31.398 -4.154 1.538 100 HD11 LEU 14 HD11 LEU 14 30.862 -6.440 2.235 101 HD12 LEU 14 HD12 LEU 14 31.296 -6.366 0.512 102 HD13 LEU 14 HD13 LEU 14 32.472 -6.976 1.700 103 HD21 LEU 14 HD21 LEU 14 31.857 -4.857 3.844 104 HD22 LEU 14 HD22 LEU 14 33.501 -5.348 3.366 105 HD23 LEU 14 HD23 LEU 14 33.028 -3.633 3.296 106 H ALA 15 H ALA 15 34.017 -3.237 -1.867 107 HA ALA 15 HA ALA 15 36.700 -3.944 -2.211 108 HB1 ALA 15 HB1 ALA 15 36.388 -3.290 -4.564 109 HB2 ALA 15 HB2 ALA 15 34.848 -2.515 -4.126 110 HB3 ALA 15 HB3 ALA 15 35.039 -4.276 -3.952 111 H ASP 16 H ASP 16 35.222 -0.789 -1.787 112 HA ASP 16 HA ASP 16 37.634 0.615 -2.582 113 HB2 ASP 16 HB2 ASP 16 34.861 1.351 -2.436 114 HB3 ASP 16 HB3 ASP 16 35.791 2.172 -1.157 115 H DAL 17 H DAL 17 37.083 -1.122 0.066 116 HA DAL 17 HA DAL 17 38.739 0.621 1.729 117 HB1 DAL 17 HB1 DAL 17 39.214 -1.408 3.037 118 HB2 DAL 17 HB2 DAL 17 39.602 -1.610 1.313 119 HB3 DAL 17 HB3 DAL 17 38.117 -2.328 1.980 120 H GLY 18 H GLY 18 35.500 0.066 1.393 121 HA2 GLY 18 HA2 GLY 18 33.659 0.375 2.732 122 HA3 GLY 18 HA3 GLY 18 34.603 -0.378 4.038 123 H TRP 19 H TRP 19 35.181 0.859 5.708 124 HA TRP 19 HA TRP 19 34.318 3.568 5.849 125 HB2 TRP 19 HB2 TRP 19 35.824 1.736 7.719 126 HB3 TRP 19 HB3 TRP 19 35.672 3.470 8.088 127 HD1 TRP 19 HD1 TRP 19 34.005 0.323 8.768 128 HE1 TRP 19 HE1 TRP 19 31.583 0.702 9.556 129 HE3 TRP 19 HE3 TRP 19 33.450 5.208 7.369 130 HZ2 TRP 19 HZ2 TRP 19 29.689 2.796 9.582 131 HZ3 TRP 19 HZ3 TRP 19 31.305 6.326 7.811 132 HH2 TRP 19 HH2 TRP 19 29.462 5.143 8.893 133 H ALA 20 H ALA 20 37.366 2.022 5.114 134 HA ALA 20 HA ALA 20 38.812 4.559 5.232 135 HB1 ALA 20 HB1 ALA 20 40.808 3.202 4.740 136 HB2 ALA 20 HB2 ALA 20 39.777 1.760 4.598 137 HB3 ALA 20 HB3 ALA 20 39.923 2.599 6.160 138 H SER 21 H SER 21 36.765 4.511 3.322 139 HA SER 21 HA SER 21 38.083 4.078 0.747 140 HB2 SER 21 HB2 SER 21 35.868 3.137 0.903 141 HB3 SER 21 HB3 SER 21 35.205 4.686 1.472 142 HG SER 21 HG SER 21 36.442 4.328 -1.070 Start of MODEL 20 1 H1 ARG 1 H1 ARG 1 32.285 7.784 1.306 2 H2 ARG 1 H2 ARG 1 32.121 8.649 2.521 3 H3 ARG 1 H3 ARG 1 32.629 7.245 2.663 4 HA ARG 1 HA ARG 1 29.895 8.020 2.840 5 HB2 ARG 1 HB2 ARG 1 28.884 6.559 1.144 6 HB3 ARG 1 HB3 ARG 1 29.856 7.876 0.447 7 HG2 ARG 1 HG2 ARG 1 31.698 6.325 0.019 8 HG3 ARG 1 HG3 ARG 1 30.783 5.002 0.782 9 HD2 ARG 1 HD2 ARG 1 29.831 6.532 -1.661 10 HD3 ARG 1 HD3 ARG 1 30.738 5.004 -1.741 11 HE ARG 1 HE ARG 1 28.871 3.877 -0.888 12 HH11 ARG 1 HH11 ARG 1 28.247 7.311 -1.209 13 HH12 ARG 1 HH12 ARG 1 26.508 7.124 -1.097 14 HH21 ARG 1 HH21 ARG 1 26.618 3.634 -0.748 15 HH22 ARG 1 HH22 ARG 1 25.590 5.051 -0.837 16 HA PRO 2 HA PRO 2 30.168 4.442 5.462 17 HB2 PRO 2 HB2 PRO 2 27.675 4.509 6.547 18 HB3 PRO 2 HB3 PRO 2 28.881 5.742 6.939 19 HG2 PRO 2 HG2 PRO 2 26.551 5.890 5.023 20 HG3 PRO 2 HG3 PRO 2 27.181 7.130 6.116 21 HD2 PRO 2 HD2 PRO 2 27.747 7.009 3.372 22 HD3 PRO 2 HD3 PRO 2 28.742 7.872 4.552 23 HA PRO 3 HA PRO 3 28.479 0.793 3.637 24 HB2 PRO 3 HB2 PRO 3 27.046 -0.398 5.745 25 HB3 PRO 3 HB3 PRO 3 28.783 -0.581 5.469 26 HG2 PRO 3 HG2 PRO 3 27.335 1.252 7.366 27 HG3 PRO 3 HG3 PRO 3 28.871 0.401 7.577 28 HD2 PRO 3 HD2 PRO 3 28.797 3.067 7.023 29 HD3 PRO 3 HD3 PRO 3 30.097 2.043 6.400 30 HA PRO 4 HA PRO 4 24.301 2.240 2.692 31 HB2 PRO 4 HB2 PRO 4 24.231 1.400 0.112 32 HB3 PRO 4 HB3 PRO 4 25.153 2.832 0.588 33 HG2 PRO 4 HG2 PRO 4 26.135 0.015 0.068 34 HG3 PRO 4 HG3 PRO 4 26.864 1.556 -0.404 35 HD2 PRO 4 HD2 PRO 4 27.694 0.078 1.805 36 HD3 PRO 4 HD3 PRO 4 27.927 1.825 1.665 37 H SER 5 H SER 5 22.403 1.225 2.947 38 HA SER 5 HA SER 5 22.143 -1.442 3.658 39 HB2 SER 5 HB2 SER 5 20.079 0.476 2.551 40 HB3 SER 5 HB3 SER 5 19.685 -1.118 3.235 41 HG SER 5 HG SER 5 19.516 0.584 4.795 42 H ASP 6 H ASP 6 21.406 0.055 0.500 43 HA ASP 6 HA ASP 6 20.379 -2.092 -0.855 44 HB2 ASP 6 HB2 ASP 6 20.674 0.290 -1.808 45 HB3 ASP 6 HB3 ASP 6 22.382 -0.204 -1.903 46 H AIB 7 H AIB 7 21.102 -3.946 -1.737 47 HB11 AIB 7 HB11 AIB 7 24.477 -6.089 -0.668 48 HB12 AIB 7 HB12 AIB 7 24.332 -4.421 -0.067 49 HB13 AIB 7 HB13 AIB 7 23.068 -5.616 0.309 50 HB21 AIB 7 HB21 AIB 7 21.801 -6.611 -1.447 51 HB22 AIB 7 HB22 AIB 7 22.669 -6.631 -2.926 52 HB23 AIB 7 HB23 AIB 7 21.280 -5.640 -2.760 53 H ALA 8 H ALA 8 22.738 -3.614 -3.960 54 HA ALA 8 HA ALA 8 25.040 -4.417 -5.331 55 HB1 ALA 8 HB1 ALA 8 24.597 -2.533 -6.855 56 HB2 ALA 8 HB2 ALA 8 23.411 -1.893 -5.693 57 HB3 ALA 8 HB3 ALA 8 23.124 -3.461 -6.484 58 H ALA 9 H ALA 9 24.436 -1.339 -3.606 59 HA ALA 9 HA ALA 9 26.999 -0.288 -4.223 60 HB1 ALA 9 HB1 ALA 9 26.437 1.513 -2.647 61 HB2 ALA 9 HB2 ALA 9 25.012 0.588 -2.121 62 HB3 ALA 9 HB3 ALA 9 25.116 1.185 -3.794 63 H TYR 10 H TYR 10 25.767 -2.225 -1.576 64 HA TYR 10 HA TYR 10 27.744 -1.695 0.338 65 HB2 TYR 10 HB2 TYR 10 25.557 -2.964 0.615 66 HB3 TYR 10 HB3 TYR 10 26.429 -4.372 -0.039 67 HD1 TYR 10 HD1 TYR 10 26.740 -1.782 2.664 68 HD2 TYR 10 HD2 TYR 10 27.539 -5.783 1.463 69 HE1 TYR 10 HE1 TYR 10 27.634 -2.272 4.902 70 HE2 TYR 10 HE2 TYR 10 28.438 -6.283 3.699 71 HH TYR 10 HH TYR 10 29.529 -4.376 5.709 72 H ALA 11 H ALA 11 27.740 -3.803 -2.471 73 HA ALA 11 HA ALA 11 30.044 -5.318 -1.773 74 HB1 ALA 11 HB1 ALA 11 30.036 -6.039 -4.127 75 HB2 ALA 11 HB2 ALA 11 28.794 -4.817 -4.483 76 HB3 ALA 11 HB3 ALA 11 28.424 -6.166 -3.383 77 H GLN 12 H GLN 12 29.556 -2.601 -4.051 78 HA GLN 12 HA GLN 12 32.262 -2.284 -4.748 79 HB2 GLN 12 HB2 GLN 12 30.041 -1.257 -5.709 80 HB3 GLN 12 HB3 GLN 12 30.440 0.071 -4.594 81 HG2 GLN 12 HG2 GLN 12 31.653 0.767 -6.750 82 HG3 GLN 12 HG3 GLN 12 32.637 -0.034 -5.503 83 HE21 GLN 12 HE22 GLN 12 34.149 -1.209 -6.502 84 HE22 GLN 12 HE21 GLN 12 33.879 -2.271 -7.844 85 H TRP 13 H TRP 13 30.360 -1.062 -2.065 86 HA TRP 13 HA TRP 13 32.083 0.898 -1.064 87 HB2 TRP 13 HB2 TRP 13 29.772 0.592 -0.237 88 HB3 TRP 13 HB3 TRP 13 30.228 -0.980 0.462 89 HD1 TRP 13 HD1 TRP 13 30.953 2.786 0.945 90 HE1 TRP 13 HE1 TRP 13 31.544 3.144 3.425 91 HE3 TRP 13 HE3 TRP 13 30.982 -2.084 2.475 92 HZ2 TRP 13 HZ2 TRP 13 31.967 1.566 5.730 93 HZ3 TRP 13 HZ3 TRP 13 31.493 -2.581 4.832 94 HH2 TRP 13 HH2 TRP 13 31.975 -0.792 6.424 95 H LEU 14 H LEU 14 31.915 -2.591 -0.382 96 HA LEU 14 HA LEU 14 34.031 -2.707 1.478 97 HB2 LEU 14 HB2 LEU 14 32.914 -4.614 -0.452 98 HB3 LEU 14 HB3 LEU 14 34.123 -5.205 0.711 99 HG LEU 14 HG LEU 14 31.381 -4.080 1.419 100 HD11 LEU 14 HD11 LEU 14 30.837 -6.375 2.088 101 HD12 LEU 14 HD12 LEU 14 31.224 -6.270 0.354 102 HD13 LEU 14 HD13 LEU 14 32.425 -6.917 1.497 103 HD21 LEU 14 HD21 LEU 14 31.888 -4.829 3.699 104 HD22 LEU 14 HD22 LEU 14 33.514 -5.327 3.171 105 HD23 LEU 14 HD23 LEU 14 33.058 -3.607 3.143 106 H ALA 15 H ALA 15 33.932 -3.031 -2.041 107 HA ALA 15 HA ALA 15 36.577 -3.819 -2.491 108 HB1 ALA 15 HB1 ALA 15 36.241 -3.009 -4.791 109 HB2 ALA 15 HB2 ALA 15 34.743 -2.205 -4.272 110 HB3 ALA 15 HB3 ALA 15 34.867 -3.979 -4.210 111 H ASP 16 H ASP 16 35.199 -0.607 -1.994 112 HA ASP 16 HA ASP 16 37.659 0.736 -2.693 113 HB2 ASP 16 HB2 ASP 16 34.936 1.570 -2.526 114 HB3 ASP 16 HB3 ASP 16 35.845 2.246 -1.152 115 H DAL 17 H DAL 17 36.913 -1.054 -0.060 116 HA DAL 17 HA DAL 17 38.707 0.519 1.647 117 HB1 DAL 17 HB1 DAL 17 39.113 -1.586 2.854 118 HB2 DAL 17 HB2 DAL 17 39.489 -1.717 1.120 119 HB3 DAL 17 HB3 DAL 17 37.981 -2.414 1.758 120 H GLY 18 H GLY 18 35.485 0.275 1.288 121 HA2 GLY 18 HA2 GLY 18 33.655 0.582 2.641 122 HA3 GLY 18 HA3 GLY 18 34.528 -0.342 3.886 123 H TRP 19 H TRP 19 35.249 0.712 5.632 124 HA TRP 19 HA TRP 19 34.574 3.458 5.995 125 HB2 TRP 19 HB2 TRP 19 36.013 1.421 7.715 126 HB3 TRP 19 HB3 TRP 19 35.836 3.117 8.223 127 HD1 TRP 19 HD1 TRP 19 34.179 -0.101 8.571 128 HE1 TRP 19 HE1 TRP 19 31.743 0.189 9.351 129 HE3 TRP 19 HE3 TRP 19 33.622 4.898 7.656 130 HZ2 TRP 19 HZ2 TRP 19 29.838 2.263 9.552 131 HZ3 TRP 19 HZ3 TRP 19 31.462 5.958 8.169 132 HH2 TRP 19 HH2 TRP 19 29.609 4.665 9.096 133 H ALA 20 H ALA 20 37.478 1.760 5.063 134 HA ALA 20 HA ALA 20 39.115 4.163 5.384 135 HB1 ALA 20 HB1 ALA 20 41.010 2.705 4.795 136 HB2 ALA 20 HB2 ALA 20 39.878 1.353 4.559 137 HB3 ALA 20 HB3 ALA 20 40.080 2.072 6.174 138 H SER 21 H SER 21 37.070 4.378 3.471 139 HA SER 21 HA SER 21 38.406 4.074 0.881 140 HB2 SER 21 HB2 SER 21 36.159 3.176 0.969 141 HB3 SER 21 HB3 SER 21 35.532 4.718 1.595 142 HG SER 21 HG SER 21 35.179 4.540 -0.657 Start of MODEL 21 1 H1 ARG 1 H1 ARG 1 32.642 7.300 0.388 2 H2 ARG 1 H2 ARG 1 32.600 8.334 1.474 3 H3 ARG 1 H3 ARG 1 32.879 6.900 1.814 4 HA ARG 1 HA ARG 1 30.301 8.106 1.794 5 HB2 ARG 1 HB2 ARG 1 29.116 6.505 0.293 6 HB3 ARG 1 HB3 ARG 1 30.171 7.683 -0.523 7 HG2 ARG 1 HG2 ARG 1 31.773 6.058 -1.071 8 HG3 ARG 1 HG3 ARG 1 31.165 4.915 0.151 9 HD2 ARG 1 HD2 ARG 1 29.592 4.073 -1.243 10 HD3 ARG 1 HD3 ARG 1 29.187 5.673 -1.907 11 HE ARG 1 HE ARG 1 31.044 3.755 -2.984 12 HH11 ARG 1 HH11 ARG 1 30.160 7.143 -2.879 13 HH12 ARG 1 HH12 ARG 1 30.915 7.510 -4.417 14 HH21 ARG 1 HH21 ARG 1 32.029 4.229 -4.978 15 HH22 ARG 1 HH22 ARG 1 31.969 5.867 -5.600 16 HA PRO 2 HA PRO 2 30.144 5.093 5.097 17 HB2 PRO 2 HB2 PRO 2 27.237 5.737 5.246 18 HB3 PRO 2 HB3 PRO 2 28.484 5.927 6.486 19 HG2 PRO 2 HG2 PRO 2 27.423 8.056 5.192 20 HG3 PRO 2 HG3 PRO 2 29.105 8.044 5.738 21 HD2 PRO 2 HD2 PRO 2 28.010 7.659 2.941 22 HD3 PRO 2 HD3 PRO 2 29.491 8.474 3.459 23 HA PRO 3 HA PRO 3 28.561 1.276 3.539 24 HB2 PRO 3 HB2 PRO 3 27.104 0.304 5.738 25 HB3 PRO 3 HB3 PRO 3 28.849 0.113 5.518 26 HG2 PRO 3 HG2 PRO 3 27.342 2.148 7.156 27 HG3 PRO 3 HG3 PRO 3 28.859 1.315 7.520 28 HD2 PRO 3 HD2 PRO 3 28.866 3.892 6.671 29 HD3 PRO 3 HD3 PRO 3 30.145 2.780 6.167 30 HA PRO 4 HA PRO 4 24.404 2.611 2.376 31 HB2 PRO 4 HB2 PRO 4 24.363 1.484 -0.091 32 HB3 PRO 4 HB3 PRO 4 25.293 2.954 0.233 33 HG2 PRO 4 HG2 PRO 4 26.255 0.087 0.052 34 HG3 PRO 4 HG3 PRO 4 27.003 1.557 -0.587 35 HD2 PRO 4 HD2 PRO 4 27.796 0.337 1.787 36 HD3 PRO 4 HD3 PRO 4 28.050 2.053 1.447 37 H SER 5 H SER 5 22.498 1.649 2.736 38 HA SER 5 HA SER 5 22.223 -0.880 3.821 39 HB2 SER 5 HB2 SER 5 20.170 0.850 2.424 40 HB3 SER 5 HB3 SER 5 19.767 -0.622 3.338 41 HG SER 5 HG SER 5 19.594 1.296 4.622 42 H ASP 6 H ASP 6 21.586 0.106 0.451 43 HA ASP 6 HA ASP 6 20.404 -2.206 -0.485 44 HB2 ASP 6 HB2 ASP 6 22.230 -0.272 -2.027 45 HB3 ASP 6 HB3 ASP 6 21.317 -1.675 -2.637 46 H AIB 7 H AIB 7 21.191 -4.008 -1.721 47 HB11 AIB 7 HB11 AIB 7 24.434 -6.190 -0.176 48 HB12 AIB 7 HB12 AIB 7 24.357 -4.456 0.214 49 HB13 AIB 7 HB13 AIB 7 23.053 -5.546 0.741 50 HB21 AIB 7 HB21 AIB 7 21.725 -6.709 -0.918 51 HB22 AIB 7 HB22 AIB 7 22.577 -6.908 -2.393 52 HB23 AIB 7 HB23 AIB 7 21.234 -5.846 -2.315 53 H ALA 8 H ALA 8 22.865 -3.995 -3.701 54 HA ALA 8 HA ALA 8 25.202 -5.021 -4.877 55 HB1 ALA 8 HB1 ALA 8 24.829 -3.361 -6.655 56 HB2 ALA 8 HB2 ALA 8 23.604 -2.570 -5.637 57 HB3 ALA 8 HB3 ALA 8 23.339 -4.231 -6.219 58 H ALA 9 H ALA 9 24.577 -1.692 -3.702 59 HA ALA 9 HA ALA 9 27.194 -0.792 -4.257 60 HB1 ALA 9 HB1 ALA 9 26.611 1.200 -2.938 61 HB2 ALA 9 HB2 ALA 9 25.132 0.380 -2.387 62 HB3 ALA 9 HB3 ALA 9 25.345 0.767 -4.111 63 H TYR 10 H TYR 10 25.799 -2.339 -1.419 64 HA TYR 10 HA TYR 10 27.732 -1.591 0.470 65 HB2 TYR 10 HB2 TYR 10 25.532 -2.740 0.899 66 HB3 TYR 10 HB3 TYR 10 26.328 -4.251 0.396 67 HD1 TYR 10 HD1 TYR 10 26.842 -1.403 2.789 68 HD2 TYR 10 HD2 TYR 10 27.309 -5.569 2.065 69 HE1 TYR 10 HE1 TYR 10 27.709 -1.697 5.071 70 HE2 TYR 10 HE2 TYR 10 28.177 -5.873 4.344 71 HH TYR 10 HH TYR 10 27.754 -4.114 6.728 72 H ALA 11 H ALA 11 27.753 -4.090 -2.004 73 HA ALA 11 HA ALA 11 29.995 -5.538 -1.048 74 HB1 ALA 11 HB1 ALA 11 30.073 -6.526 -3.302 75 HB2 ALA 11 HB2 ALA 11 28.883 -5.325 -3.855 76 HB3 ALA 11 HB3 ALA 11 28.426 -6.529 -2.627 77 H GLN 12 H GLN 12 29.682 -3.087 -3.635 78 HA GLN 12 HA GLN 12 32.415 -2.907 -4.253 79 HB2 GLN 12 HB2 GLN 12 30.269 -1.924 -5.401 80 HB3 GLN 12 HB3 GLN 12 30.649 -0.505 -4.396 81 HG2 GLN 12 HG2 GLN 12 31.957 -0.051 -6.570 82 HG3 GLN 12 HG3 GLN 12 32.869 -0.701 -5.187 83 HE21 GLN 12 HE22 GLN 12 34.447 -1.940 -5.998 84 HE22 GLN 12 HE21 GLN 12 34.243 -3.161 -7.209 85 H TRP 13 H TRP 13 30.457 -1.348 -1.788 86 HA TRP 13 HA TRP 13 32.206 0.645 -0.921 87 HB2 TRP 13 HB2 TRP 13 29.869 0.505 -0.139 88 HB3 TRP 13 HB3 TRP 13 30.232 -1.018 0.706 89 HD1 TRP 13 HD1 TRP 13 31.110 2.745 0.896 90 HE1 TRP 13 HE1 TRP 13 31.631 3.285 3.358 91 HE3 TRP 13 HE3 TRP 13 30.853 -1.971 2.831 92 HZ2 TRP 13 HZ2 TRP 13 31.900 1.894 5.800 93 HZ3 TRP 13 HZ3 TRP 13 31.259 -2.289 5.238 94 HH2 TRP 13 HH2 TRP 13 31.771 -0.393 6.692 95 H LEU 14 H LEU 14 31.898 -2.747 0.125 96 HA LEU 14 HA LEU 14 33.951 -2.741 2.050 97 HB2 LEU 14 HB2 LEU 14 32.852 -4.800 0.270 98 HB3 LEU 14 HB3 LEU 14 33.997 -5.301 1.536 99 HG LEU 14 HG LEU 14 31.263 -4.044 2.011 100 HD11 LEU 14 HD11 LEU 14 30.625 -6.242 2.888 101 HD12 LEU 14 HD12 LEU 14 31.082 -6.326 1.170 102 HD13 LEU 14 HD13 LEU 14 32.218 -6.883 2.422 103 HD21 LEU 14 HD21 LEU 14 31.661 -4.567 4.375 104 HD22 LEU 14 HD22 LEU 14 33.291 -5.156 3.967 105 HD23 LEU 14 HD23 LEU 14 32.884 -3.438 3.747 106 H ALA 15 H ALA 15 33.968 -3.432 -1.419 107 HA ALA 15 HA ALA 15 36.598 -4.324 -1.693 108 HB1 ALA 15 HB1 ALA 15 36.369 -3.728 -4.072 109 HB2 ALA 15 HB2 ALA 15 34.882 -2.832 -3.686 110 HB3 ALA 15 HB3 ALA 15 34.944 -4.594 -3.451 111 H ASP 16 H ASP 16 35.332 -1.043 -1.488 112 HA ASP 16 HA ASP 16 37.914 0.112 -2.180 113 HB2 ASP 16 HB2 ASP 16 35.255 1.040 -2.500 114 HB3 ASP 16 HB3 ASP 16 35.960 1.849 -1.078 115 H DAL 17 H DAL 17 37.289 -1.443 0.433 116 HA DAL 17 HA DAL 17 38.843 0.293 2.134 117 HB1 DAL 17 HB1 DAL 17 38.861 -1.607 3.695 118 HB2 DAL 17 HB2 DAL 17 39.367 -2.075 2.055 119 HB3 DAL 17 HB3 DAL 17 37.731 -2.475 2.628 120 H GLY 18 H GLY 18 35.518 -0.167 1.617 121 HA2 GLY 18 HA2 GLY 18 33.636 0.563 2.710 122 HA3 GLY 18 HA3 GLY 18 34.447 0.051 4.209 123 H TRP 19 H TRP 19 35.133 1.563 5.597 124 HA TRP 19 HA TRP 19 34.317 4.249 5.274 125 HB2 TRP 19 HB2 TRP 19 36.066 2.869 7.333 126 HB3 TRP 19 HB3 TRP 19 35.686 4.606 7.415 127 HD1 TRP 19 HD1 TRP 19 34.445 1.351 8.562 128 HE1 TRP 19 HE1 TRP 19 32.052 1.568 9.485 129 HE3 TRP 19 HE3 TRP 19 33.300 5.996 6.760 130 HZ2 TRP 19 HZ2 TRP 19 29.956 3.460 9.452 131 HZ3 TRP 19 HZ3 TRP 19 31.080 6.937 7.250 132 HH2 TRP 19 HH2 TRP 19 29.443 5.694 8.567 133 H ALA 20 H ALA 20 37.350 2.605 4.665 134 HA ALA 20 HA ALA 20 38.767 5.120 4.242 135 HB1 ALA 20 HB1 ALA 20 40.741 3.698 3.856 136 HB2 ALA 20 HB2 ALA 20 39.716 2.254 4.025 137 HB3 ALA 20 HB3 ALA 20 39.952 3.344 5.412 138 H SER 21 H SER 21 36.627 4.819 2.489 139 HA SER 21 HA SER 21 37.769 3.910 -0.045 140 HB2 SER 21 HB2 SER 21 35.554 3.085 0.347 141 HB3 SER 21 HB3 SER 21 34.963 4.710 0.761 142 HG SER 21 HG SER 21 34.483 3.947 -1.437 Start of MODEL 22 1 H1 ARG 1 H1 ARG 1 32.070 7.681 1.201 2 H2 ARG 1 H2 ARG 1 31.977 8.587 2.393 3 H3 ARG 1 H3 ARG 1 32.492 7.187 2.553 4 HA ARG 1 HA ARG 1 29.770 7.974 2.858 5 HB2 ARG 1 HB2 ARG 1 28.605 6.699 1.240 6 HB3 ARG 1 HB3 ARG 1 29.827 7.671 0.386 7 HG2 ARG 1 HG2 ARG 1 31.130 5.265 0.939 8 HG3 ARG 1 HG3 ARG 1 29.479 4.769 0.495 9 HD2 ARG 1 HD2 ARG 1 30.106 4.976 -1.648 10 HD3 ARG 1 HD3 ARG 1 30.143 6.735 -1.378 11 HE ARG 1 HE ARG 1 32.487 6.595 -1.058 12 HH11 ARG 1 HH11 ARG 1 31.082 3.526 -2.007 13 HH12 ARG 1 HH12 ARG 1 32.613 2.861 -2.542 14 HH21 ARG 1 HH21 ARG 1 34.464 5.738 -1.750 15 HH22 ARG 1 HH22 ARG 1 34.520 4.109 -2.396 16 HA PRO 2 HA PRO 2 30.090 4.393 5.475 17 HB2 PRO 2 HB2 PRO 2 27.621 4.471 6.626 18 HB3 PRO 2 HB3 PRO 2 28.835 5.711 6.967 19 HG2 PRO 2 HG2 PRO 2 26.401 5.862 5.223 20 HG3 PRO 2 HG3 PRO 2 27.204 7.140 6.144 21 HD2 PRO 2 HD2 PRO 2 27.480 6.644 3.339 22 HD3 PRO 2 HD3 PRO 2 28.449 7.767 4.301 23 HA PRO 3 HA PRO 3 28.362 0.686 3.797 24 HB2 PRO 3 HB2 PRO 3 26.856 -0.374 5.937 25 HB3 PRO 3 HB3 PRO 3 28.585 -0.639 5.676 26 HG2 PRO 3 HG2 PRO 3 27.207 1.321 7.495 27 HG3 PRO 3 HG3 PRO 3 28.710 0.422 7.742 28 HD2 PRO 3 HD2 PRO 3 28.751 3.060 7.095 29 HD3 PRO 3 HD3 PRO 3 29.996 1.963 6.486 30 HA PRO 4 HA PRO 4 24.235 2.223 2.731 31 HB2 PRO 4 HB2 PRO 4 24.230 1.431 0.142 32 HB3 PRO 4 HB3 PRO 4 25.178 2.830 0.667 33 HG2 PRO 4 HG2 PRO 4 26.096 -0.010 0.143 34 HG3 PRO 4 HG3 PRO 4 26.870 1.514 -0.312 35 HD2 PRO 4 HD2 PRO 4 27.631 0.013 1.903 36 HD3 PRO 4 HD3 PRO 4 27.898 1.757 1.780 37 H SER 5 H SER 5 22.318 1.228 2.916 38 HA SER 5 HA SER 5 21.993 -1.442 3.577 39 HB2 SER 5 HB2 SER 5 19.998 0.510 2.406 40 HB3 SER 5 HB3 SER 5 19.559 -1.080 3.069 41 HG SER 5 HG SER 5 19.353 0.619 4.628 42 H ASP 6 H ASP 6 21.653 0.098 0.390 43 HA ASP 6 HA ASP 6 20.433 -1.998 -0.966 44 HB2 ASP 6 HB2 ASP 6 22.340 0.146 -2.056 45 HB3 ASP 6 HB3 ASP 6 21.480 -1.133 -2.949 46 H AIB 7 H AIB 7 21.092 -3.865 -1.877 47 HB11 AIB 7 HB11 AIB 7 24.382 -6.126 -0.793 48 HB12 AIB 7 HB12 AIB 7 24.292 -4.453 -0.193 49 HB13 AIB 7 HB13 AIB 7 22.986 -5.603 0.177 50 HB21 AIB 7 HB21 AIB 7 21.714 -6.576 -1.621 51 HB22 AIB 7 HB22 AIB 7 22.561 -6.568 -3.112 52 HB23 AIB 7 HB23 AIB 7 21.201 -5.547 -2.893 53 H ALA 8 H ALA 8 22.784 -3.595 -4.094 54 HA ALA 8 HA ALA 8 25.139 -4.398 -5.381 55 HB1 ALA 8 HB1 ALA 8 24.758 -2.505 -6.907 56 HB2 ALA 8 HB2 ALA 8 23.529 -1.869 -5.788 57 HB3 ALA 8 HB3 ALA 8 23.269 -3.430 -6.601 58 H ALA 9 H ALA 9 24.458 -1.349 -3.644 59 HA ALA 9 HA ALA 9 27.014 -0.250 -4.191 60 HB1 ALA 9 HB1 ALA 9 26.387 1.521 -2.605 61 HB2 ALA 9 HB2 ALA 9 24.969 0.562 -2.119 62 HB3 ALA 9 HB3 ALA 9 25.096 1.182 -3.782 63 H TYR 10 H TYR 10 25.750 -2.198 -1.558 64 HA TYR 10 HA TYR 10 27.719 -1.672 0.366 65 HB2 TYR 10 HB2 TYR 10 25.634 -2.820 0.874 66 HB3 TYR 10 HB3 TYR 10 26.155 -4.206 -0.115 67 HD1 TYR 10 HD1 TYR 10 27.069 -2.238 2.926 68 HD2 TYR 10 HD2 TYR 10 27.427 -5.944 0.876 69 HE1 TYR 10 HE1 TYR 10 28.160 -3.219 4.901 70 HE2 TYR 10 HE2 TYR 10 28.525 -6.931 2.838 71 HH TYR 10 HH TYR 10 29.241 -6.604 4.910 72 H ALA 11 H ALA 11 27.739 -3.780 -2.443 73 HA ALA 11 HA ALA 11 30.016 -5.314 -1.680 74 HB1 ALA 11 HB1 ALA 11 30.031 -6.082 -4.019 75 HB2 ALA 11 HB2 ALA 11 28.804 -4.857 -4.415 76 HB3 ALA 11 HB3 ALA 11 28.410 -6.181 -3.294 77 H GLN 12 H GLN 12 29.581 -2.636 -4.008 78 HA GLN 12 HA GLN 12 32.292 -2.358 -4.686 79 HB2 GLN 12 HB2 GLN 12 30.107 -1.330 -5.700 80 HB3 GLN 12 HB3 GLN 12 30.472 0.007 -4.583 81 HG2 GLN 12 HG2 GLN 12 31.702 0.654 -6.770 82 HG3 GLN 12 HG3 GLN 12 32.658 -0.008 -5.423 83 HE21 GLN 12 HE22 GLN 12 34.335 -0.991 -6.404 84 HE22 GLN 12 HE21 GLN 12 34.194 -2.202 -7.635 85 H TRP 13 H TRP 13 30.366 -1.003 -2.066 86 HA TRP 13 HA TRP 13 32.130 0.927 -1.095 87 HB2 TRP 13 HB2 TRP 13 29.815 0.742 -0.281 88 HB3 TRP 13 HB3 TRP 13 30.180 -0.844 0.439 89 HD1 TRP 13 HD1 TRP 13 31.048 2.894 0.919 90 HE1 TRP 13 HE1 TRP 13 31.614 3.228 3.408 91 HE3 TRP 13 HE3 TRP 13 30.882 -1.975 2.456 92 HZ2 TRP 13 HZ2 TRP 13 31.940 1.643 5.721 93 HZ3 TRP 13 HZ3 TRP 13 31.337 -2.487 4.822 94 HH2 TRP 13 HH2 TRP 13 31.856 -0.712 6.418 95 H LEU 14 H LEU 14 31.896 -2.550 -0.340 96 HA LEU 14 HA LEU 14 33.988 -2.635 1.559 97 HB2 LEU 14 HB2 LEU 14 32.881 -4.590 -0.331 98 HB3 LEU 14 HB3 LEU 14 34.067 -5.153 0.870 99 HG LEU 14 HG LEU 14 31.317 -4.000 1.491 100 HD11 LEU 14 HD11 LEU 14 30.763 -6.272 2.228 101 HD12 LEU 14 HD12 LEU 14 31.182 -6.225 0.499 102 HD13 LEU 14 HD13 LEU 14 32.362 -6.831 1.686 103 HD21 LEU 14 HD21 LEU 14 31.780 -4.671 3.804 104 HD22 LEU 14 HD22 LEU 14 33.416 -5.187 3.326 105 HD23 LEU 14 HD23 LEU 14 32.960 -3.469 3.231 106 H ALA 15 H ALA 15 33.916 -3.241 -1.936 107 HA ALA 15 HA ALA 15 36.600 -3.942 -2.298 108 HB1 ALA 15 HB1 ALA 15 36.246 -3.366 -4.667 109 HB2 ALA 15 HB2 ALA 15 34.710 -2.583 -4.231 110 HB3 ALA 15 HB3 ALA 15 34.910 -4.336 -4.004 111 H ASP 16 H ASP 16 35.050 -0.790 -2.105 112 HA ASP 16 HA ASP 16 37.342 0.691 -2.978 113 HB2 ASP 16 HB2 ASP 16 34.652 1.483 -1.780 114 HB3 ASP 16 HB3 ASP 16 36.090 2.533 -1.818 115 H DAL 17 H DAL 17 36.697 -0.921 -0.093 116 HA DAL 17 HA DAL 17 38.620 0.783 1.351 117 HB1 DAL 17 HB1 DAL 17 39.284 -1.242 2.582 118 HB2 DAL 17 HB2 DAL 17 39.526 -1.408 0.828 119 HB3 DAL 17 HB3 DAL 17 38.133 -2.191 1.611 120 H GLY 18 H GLY 18 35.417 0.386 1.275 121 HA2 GLY 18 HA2 GLY 18 33.691 0.621 2.770 122 HA3 GLY 18 HA3 GLY 18 34.692 -0.278 3.934 123 H TRP 19 H TRP 19 35.358 0.787 5.678 124 HA TRP 19 HA TRP 19 34.703 3.543 6.031 125 HB2 TRP 19 HB2 TRP 19 36.167 1.530 7.768 126 HB3 TRP 19 HB3 TRP 19 35.911 3.219 8.267 127 HD1 TRP 19 HD1 TRP 19 34.386 -0.067 8.594 128 HE1 TRP 19 HE1 TRP 19 31.934 0.122 9.354 129 HE3 TRP 19 HE3 TRP 19 33.635 4.908 7.687 130 HZ2 TRP 19 HZ2 TRP 19 29.945 2.117 9.544 131 HZ3 TRP 19 HZ3 TRP 19 31.430 5.878 8.184 132 HH2 TRP 19 HH2 TRP 19 29.624 4.510 9.094 133 H ALA 20 H ALA 20 37.647 1.778 5.269 134 HA ALA 20 HA ALA 20 39.255 4.212 5.479 135 HB1 ALA 20 HB1 ALA 20 41.179 2.733 5.074 136 HB2 ALA 20 HB2 ALA 20 40.066 1.359 4.888 137 HB3 ALA 20 HB3 ALA 20 40.196 2.191 6.455 138 H SER 21 H SER 21 37.300 4.290 3.467 139 HA SER 21 HA SER 21 38.721 3.770 0.965 140 HB2 SER 21 HB2 SER 21 36.402 2.994 1.108 141 HB3 SER 21 HB3 SER 21 35.864 4.651 1.465 142 HG SER 21 HG SER 21 36.283 5.244 -0.590 Start of MODEL 23 1 H1 ARG 1 H1 ARG 1 32.222 7.340 0.332 2 H2 ARG 1 H2 ARG 1 32.138 8.407 1.383 3 H3 ARG 1 H3 ARG 1 32.509 7.006 1.766 4 HA ARG 1 HA ARG 1 29.863 8.055 1.753 5 HB2 ARG 1 HB2 ARG 1 28.692 6.574 0.273 6 HB3 ARG 1 HB3 ARG 1 29.957 7.450 -0.620 7 HG2 ARG 1 HG2 ARG 1 31.368 5.268 -0.036 8 HG3 ARG 1 HG3 ARG 1 29.747 4.537 0.055 9 HD2 ARG 1 HD2 ARG 1 30.454 6.235 -2.319 10 HD3 ARG 1 HD3 ARG 1 31.092 4.577 -2.221 11 HE ARG 1 HE ARG 1 28.903 3.750 -2.388 12 HH11 ARG 1 HH11 ARG 1 28.959 7.256 -2.492 13 HH12 ARG 1 HH12 ARG 1 27.333 7.378 -3.134 14 HH21 ARG 1 HH21 ARG 1 26.795 3.911 -3.226 15 HH22 ARG 1 HH22 ARG 1 26.114 5.494 -3.547 16 HA PRO 2 HA PRO 2 29.923 5.094 5.110 17 HB2 PRO 2 HB2 PRO 2 27.013 5.593 5.398 18 HB3 PRO 2 HB3 PRO 2 28.315 5.941 6.544 19 HG2 PRO 2 HG2 PRO 2 27.006 7.901 5.186 20 HG3 PRO 2 HG3 PRO 2 28.698 8.060 5.678 21 HD2 PRO 2 HD2 PRO 2 27.563 7.438 2.940 22 HD3 PRO 2 HD3 PRO 2 28.980 8.405 3.370 23 HA PRO 3 HA PRO 3 28.462 1.185 3.652 24 HB2 PRO 3 HB2 PRO 3 26.988 0.271 5.889 25 HB3 PRO 3 HB3 PRO 3 28.722 0.033 5.636 26 HG2 PRO 3 HG2 PRO 3 27.301 2.110 7.286 27 HG3 PRO 3 HG3 PRO 3 28.832 1.281 7.598 28 HD2 PRO 3 HD2 PRO 3 28.804 3.847 6.721 29 HD3 PRO 3 HD3 PRO 3 30.061 2.730 6.175 30 HA PRO 4 HA PRO 4 24.281 2.448 2.457 31 HB2 PRO 4 HB2 PRO 4 24.308 1.407 -0.045 32 HB3 PRO 4 HB3 PRO 4 25.194 2.889 0.341 33 HG2 PRO 4 HG2 PRO 4 26.234 0.055 0.083 34 HG3 PRO 4 HG3 PRO 4 26.949 1.562 -0.504 35 HD2 PRO 4 HD2 PRO 4 27.754 0.298 1.840 36 HD3 PRO 4 HD3 PRO 4 27.955 2.031 1.558 37 H SER 5 H SER 5 22.406 1.409 2.756 38 HA SER 5 HA SER 5 22.189 -1.214 3.640 39 HB2 SER 5 HB2 SER 5 20.107 0.592 2.387 40 HB3 SER 5 HB3 SER 5 19.730 -0.964 3.161 41 HG SER 5 HG SER 5 19.507 0.826 4.611 42 H ASP 6 H ASP 6 21.542 0.078 0.380 43 HA ASP 6 HA ASP 6 20.500 -2.127 -0.862 44 HB2 ASP 6 HB2 ASP 6 20.890 0.192 -1.944 45 HB3 ASP 6 HB3 ASP 6 22.577 -0.375 -1.989 46 H AIB 7 H AIB 7 21.194 -4.061 -1.575 47 HB11 AIB 7 HB11 AIB 7 24.516 -6.201 -0.312 48 HB12 AIB 7 HB12 AIB 7 24.410 -4.492 0.174 49 HB13 AIB 7 HB13 AIB 7 23.117 -5.628 0.624 50 HB21 AIB 7 HB21 AIB 7 21.826 -6.710 -1.088 51 HB22 AIB 7 HB22 AIB 7 22.682 -6.828 -2.570 52 HB23 AIB 7 HB23 AIB 7 21.324 -5.790 -2.444 53 H ALA 8 H ALA 8 22.915 -3.920 -3.784 54 HA ALA 8 HA ALA 8 25.268 -4.828 -4.996 55 HB1 ALA 8 HB1 ALA 8 24.906 -3.049 -6.660 56 HB2 ALA 8 HB2 ALA 8 23.678 -2.325 -5.597 57 HB3 ALA 8 HB3 ALA 8 23.410 -3.941 -6.293 58 H ALA 9 H ALA 9 24.610 -1.631 -3.533 59 HA ALA 9 HA ALA 9 27.194 -0.630 -4.130 60 HB1 ALA 9 HB1 ALA 9 26.577 1.285 -2.718 61 HB2 ALA 9 HB2 ALA 9 25.135 0.399 -2.172 62 HB3 ALA 9 HB3 ALA 9 25.298 0.866 -3.881 63 H TYR 10 H TYR 10 25.862 -2.324 -1.360 64 HA TYR 10 HA TYR 10 27.798 -1.642 0.549 65 HB2 TYR 10 HB2 TYR 10 25.696 -2.730 1.120 66 HB3 TYR 10 HB3 TYR 10 26.228 -4.202 0.270 67 HD1 TYR 10 HD1 TYR 10 27.098 -1.967 3.142 68 HD2 TYR 10 HD2 TYR 10 27.483 -5.840 1.427 69 HE1 TYR 10 HE1 TYR 10 28.173 -2.766 5.202 70 HE2 TYR 10 HE2 TYR 10 28.566 -6.649 3.484 71 HH TYR 10 HH TYR 10 29.262 -6.134 5.524 72 H ALA 11 H ALA 11 27.834 -3.997 -2.054 73 HA ALA 11 HA ALA 11 30.079 -5.486 -1.145 74 HB1 ALA 11 HB1 ALA 11 30.130 -6.421 -3.420 75 HB2 ALA 11 HB2 ALA 11 28.931 -5.211 -3.930 76 HB3 ALA 11 HB3 ALA 11 28.492 -6.445 -2.725 77 H GLN 12 H GLN 12 29.734 -2.995 -3.692 78 HA GLN 12 HA GLN 12 32.463 -2.793 -4.326 79 HB2 GLN 12 HB2 GLN 12 30.342 -1.820 -5.479 80 HB3 GLN 12 HB3 GLN 12 30.636 -0.424 -4.415 81 HG2 GLN 12 HG2 GLN 12 32.986 -1.316 -6.272 82 HG3 GLN 12 HG3 GLN 12 31.430 -0.594 -6.744 83 HE21 GLN 12 HE22 GLN 12 34.382 -0.164 -4.822 84 HE22 GLN 12 HE21 GLN 12 34.270 1.560 -4.692 85 H TRP 13 H TRP 13 30.501 -1.231 -1.857 86 HA TRP 13 HA TRP 13 32.254 0.740 -0.963 87 HB2 TRP 13 HB2 TRP 13 29.909 0.579 -0.195 88 HB3 TRP 13 HB3 TRP 13 30.287 -0.938 0.655 89 HD1 TRP 13 HD1 TRP 13 31.136 2.832 0.833 90 HE1 TRP 13 HE1 TRP 13 31.644 3.385 3.299 91 HE3 TRP 13 HE3 TRP 13 30.906 -1.880 2.783 92 HZ2 TRP 13 HZ2 TRP 13 31.909 2.002 5.747 93 HZ3 TRP 13 HZ3 TRP 13 31.302 -2.187 5.193 94 HH2 TRP 13 HH2 TRP 13 31.792 -0.284 6.643 95 H LEU 14 H LEU 14 31.954 -2.664 0.047 96 HA LEU 14 HA LEU 14 34.009 -2.655 1.978 97 HB2 LEU 14 HB2 LEU 14 32.896 -4.709 0.202 98 HB3 LEU 14 HB3 LEU 14 34.059 -5.217 1.449 99 HG LEU 14 HG LEU 14 31.329 -3.969 1.964 100 HD11 LEU 14 HD11 LEU 14 30.720 -6.171 2.850 101 HD12 LEU 14 HD12 LEU 14 31.156 -6.252 1.127 102 HD13 LEU 14 HD13 LEU 14 32.312 -6.799 2.365 103 HD21 LEU 14 HD21 LEU 14 31.760 -4.484 4.323 104 HD22 LEU 14 HD22 LEU 14 33.389 -5.063 3.896 105 HD23 LEU 14 HD23 LEU 14 32.968 -3.348 3.677 106 H ALA 15 H ALA 15 34.016 -3.355 -1.493 107 HA ALA 15 HA ALA 15 36.658 -4.220 -1.769 108 HB1 ALA 15 HB1 ALA 15 36.415 -3.645 -4.152 109 HB2 ALA 15 HB2 ALA 15 34.917 -2.766 -3.770 110 HB3 ALA 15 HB3 ALA 15 35.002 -4.526 -3.522 111 H ASP 16 H ASP 16 35.343 -0.970 -1.539 112 HA ASP 16 HA ASP 16 37.872 0.253 -2.285 113 HB2 ASP 16 HB2 ASP 16 35.186 1.126 -2.479 114 HB3 ASP 16 HB3 ASP 16 35.922 1.912 -1.061 115 H DAL 17 H DAL 17 37.340 -1.371 0.324 116 HA DAL 17 HA DAL 17 38.929 0.363 2.007 117 HB1 DAL 17 HB1 DAL 17 39.094 -1.587 3.498 118 HB2 DAL 17 HB2 DAL 17 39.549 -1.976 1.823 119 HB3 DAL 17 HB3 DAL 17 37.957 -2.466 2.447 120 H GLY 18 H GLY 18 35.600 -0.321 1.644 121 HA2 GLY 18 HA2 GLY 18 33.738 0.304 2.834 122 HA3 GLY 18 HA3 GLY 18 34.648 -0.196 4.279 123 H TRP 19 H TRP 19 35.293 1.320 5.678 124 HA TRP 19 HA TRP 19 34.341 3.973 5.440 125 HB2 TRP 19 HB2 TRP 19 36.202 2.617 7.411 126 HB3 TRP 19 HB3 TRP 19 35.782 4.342 7.539 127 HD1 TRP 19 HD1 TRP 19 34.694 1.083 8.754 128 HE1 TRP 19 HE1 TRP 19 32.307 1.206 9.709 129 HE3 TRP 19 HE3 TRP 19 33.293 5.617 6.852 130 HZ2 TRP 19 HZ2 TRP 19 30.116 2.994 9.660 131 HZ3 TRP 19 HZ3 TRP 19 31.039 6.461 7.351 132 HH2 TRP 19 HH2 TRP 19 29.483 5.177 8.725 133 H ALA 20 H ALA 20 37.408 2.478 4.665 134 HA ALA 20 HA ALA 20 38.712 5.057 4.275 135 HB1 ALA 20 HB1 ALA 20 40.715 3.724 3.749 136 HB2 ALA 20 HB2 ALA 20 39.750 2.238 3.906 137 HB3 ALA 20 HB3 ALA 20 40.010 3.283 5.322 138 H SER 21 H SER 21 36.495 4.705 2.609 139 HA SER 21 HA SER 21 37.570 3.976 -0.013 140 HB2 SER 21 HB2 SER 21 35.438 2.982 0.457 141 HB3 SER 21 HB3 SER 21 34.757 4.550 0.948 142 HG SER 21 HG SER 21 34.354 4.965 -1.080 Start of MODEL 24 1 H1 ARG 1 H1 ARG 1 32.961 7.437 1.371 2 H2 ARG 1 H2 ARG 1 32.748 8.370 2.526 3 H3 ARG 1 H3 ARG 1 33.043 6.921 2.777 4 HA ARG 1 HA ARG 1 30.438 8.043 2.539 5 HB2 ARG 1 HB2 ARG 1 29.512 6.547 0.773 6 HB3 ARG 1 HB3 ARG 1 30.612 7.820 0.195 7 HG2 ARG 1 HG2 ARG 1 32.377 6.264 -0.179 8 HG3 ARG 1 HG3 ARG 1 31.537 4.984 0.730 9 HD2 ARG 1 HD2 ARG 1 29.864 4.765 -0.990 10 HD3 ARG 1 HD3 ARG 1 30.478 6.201 -1.842 11 HE ARG 1 HE ARG 1 31.533 3.520 -1.951 12 HH11 ARG 1 HH11 ARG 1 32.249 6.913 -2.429 13 HH12 ARG 1 HH12 ARG 1 33.559 6.603 -3.551 14 HH21 ARG 1 HH21 ARG 1 33.240 3.110 -3.403 15 HH22 ARG 1 HH22 ARG 1 34.118 4.457 -4.101 16 HA PRO 2 HA PRO 2 30.130 4.733 5.550 17 HB2 PRO 2 HB2 PRO 2 27.237 5.452 5.637 18 HB3 PRO 2 HB3 PRO 2 28.428 5.466 6.945 19 HG2 PRO 2 HG2 PRO 2 27.496 7.756 5.848 20 HG3 PRO 2 HG3 PRO 2 29.154 7.625 6.450 21 HD2 PRO 2 HD2 PRO 2 28.159 7.568 3.589 22 HD3 PRO 2 HD3 PRO 2 29.637 8.285 4.243 23 HA PRO 3 HA PRO 3 28.563 1.146 3.511 24 HB2 PRO 3 HB2 PRO 3 27.025 -0.033 5.552 25 HB3 PRO 3 HB3 PRO 3 28.770 -0.238 5.351 26 HG2 PRO 3 HG2 PRO 3 27.263 1.627 7.177 27 HG3 PRO 3 HG3 PRO 3 28.762 0.735 7.471 28 HD2 PRO 3 HD2 PRO 3 28.812 3.392 6.922 29 HD3 PRO 3 HD3 PRO 3 30.093 2.328 6.327 30 HA PRO 4 HA PRO 4 24.453 2.575 2.341 31 HB2 PRO 4 HB2 PRO 4 24.423 1.544 -0.160 32 HB3 PRO 4 HB3 PRO 4 25.428 2.945 0.236 33 HG2 PRO 4 HG2 PRO 4 26.225 0.028 0.001 34 HG3 PRO 4 HG3 PRO 4 27.064 1.463 -0.602 35 HD2 PRO 4 HD2 PRO 4 27.754 0.168 1.762 36 HD3 PRO 4 HD3 PRO 4 28.096 1.876 1.461 37 H SER 5 H SER 5 22.505 1.680 2.630 38 HA SER 5 HA SER 5 22.079 -0.844 3.648 39 HB2 SER 5 HB2 SER 5 20.165 0.977 2.174 40 HB3 SER 5 HB3 SER 5 19.661 -0.484 3.053 41 HG SER 5 HG SER 5 19.504 1.429 4.347 42 H ASP 6 H ASP 6 21.440 0.189 0.284 43 HA ASP 6 HA ASP 6 20.315 -2.127 -0.683 44 HB2 ASP 6 HB2 ASP 6 22.116 -0.155 -2.203 45 HB3 ASP 6 HB3 ASP 6 21.220 -1.562 -2.828 46 H AIB 7 H AIB 7 21.113 -3.901 -1.931 47 HB11 AIB 7 HB11 AIB 7 24.360 -6.134 -0.453 48 HB12 AIB 7 HB12 AIB 7 24.281 -4.421 0.024 49 HB13 AIB 7 HB13 AIB 7 22.973 -5.536 0.487 50 HB21 AIB 7 HB21 AIB 7 21.652 -6.601 -1.200 51 HB22 AIB 7 HB22 AIB 7 22.497 -6.754 -2.685 52 HB23 AIB 7 HB23 AIB 7 21.159 -5.690 -2.566 53 H ALA 8 H ALA 8 22.804 -3.847 -3.929 54 HA ALA 8 HA ALA 8 25.129 -4.850 -5.117 55 HB1 ALA 8 HB1 ALA 8 24.808 -3.121 -6.838 56 HB2 ALA 8 HB2 ALA 8 23.598 -2.335 -5.797 57 HB3 ALA 8 HB3 ALA 8 23.293 -3.966 -6.440 58 H ALA 9 H ALA 9 24.572 -1.544 -3.860 59 HA ALA 9 HA ALA 9 27.205 -0.684 -4.370 60 HB1 ALA 9 HB1 ALA 9 26.655 1.278 -2.994 61 HB2 ALA 9 HB2 ALA 9 25.160 0.469 -2.472 62 HB3 ALA 9 HB3 ALA 9 25.385 0.903 -4.183 63 H TYR 10 H TYR 10 25.789 -2.325 -1.611 64 HA TYR 10 HA TYR 10 27.708 -1.664 0.326 65 HB2 TYR 10 HB2 TYR 10 25.496 -2.814 0.690 66 HB3 TYR 10 HB3 TYR 10 26.282 -4.308 0.125 67 HD1 TYR 10 HD1 TYR 10 26.604 -1.620 2.716 68 HD2 TYR 10 HD2 TYR 10 27.438 -5.662 1.677 69 HE1 TYR 10 HE1 TYR 10 27.451 -2.027 4.986 70 HE2 TYR 10 HE2 TYR 10 28.287 -6.075 3.945 71 HH TYR 10 HH TYR 10 27.669 -4.533 6.455 72 H ALA 11 H ALA 11 27.741 -4.028 -2.269 73 HA ALA 11 HA ALA 11 29.965 -5.538 -1.364 74 HB1 ALA 11 HB1 ALA 11 30.047 -6.426 -3.659 75 HB2 ALA 11 HB2 ALA 11 28.862 -5.198 -4.161 76 HB3 ALA 11 HB3 ALA 11 28.399 -6.453 -2.988 77 H GLN 12 H GLN 12 29.667 -2.922 -3.782 78 HA GLN 12 HA GLN 12 32.414 -2.750 -4.395 79 HB2 GLN 12 HB2 GLN 12 30.244 -1.685 -5.478 80 HB3 GLN 12 HB3 GLN 12 30.708 -0.309 -4.449 81 HG2 GLN 12 HG2 GLN 12 32.526 -1.432 -6.764 82 HG3 GLN 12 HG3 GLN 12 31.424 -0.053 -6.535 83 HE21 GLN 12 HE22 GLN 12 34.577 -1.379 -5.956 84 HE22 GLN 12 HE21 GLN 12 35.250 -0.004 -5.145 85 H TRP 13 H TRP 13 30.430 -1.288 -1.885 86 HA TRP 13 HA TRP 13 32.174 0.655 -0.905 87 HB2 TRP 13 HB2 TRP 13 29.838 0.482 -0.134 88 HB3 TRP 13 HB3 TRP 13 30.191 -1.090 0.622 89 HD1 TRP 13 HD1 TRP 13 31.102 2.648 1.031 90 HE1 TRP 13 HE1 TRP 13 31.620 3.044 3.522 91 HE3 TRP 13 HE3 TRP 13 30.791 -2.167 2.701 92 HZ2 TRP 13 HZ2 TRP 13 31.865 1.516 5.882 93 HZ3 TRP 13 HZ3 TRP 13 31.188 -2.623 5.088 94 HH2 TRP 13 HH2 TRP 13 31.712 -0.814 6.644 95 H LEU 14 H LEU 14 31.873 -2.789 -0.061 96 HA LEU 14 HA LEU 14 33.912 -2.877 1.882 97 HB2 LEU 14 HB2 LEU 14 32.814 -4.836 -0.008 98 HB3 LEU 14 HB3 LEU 14 33.962 -5.408 1.226 99 HG LEU 14 HG LEU 14 31.227 -4.181 1.771 100 HD11 LEU 14 HD11 LEU 14 30.601 -6.419 2.544 101 HD12 LEU 14 HD12 LEU 14 31.055 -6.420 0.824 102 HD13 LEU 14 HD13 LEU 14 32.196 -7.030 2.046 103 HD21 LEU 14 HD21 LEU 14 31.632 -4.812 4.108 104 HD22 LEU 14 HD22 LEU 14 33.264 -5.373 3.670 105 HD23 LEU 14 HD23 LEU 14 32.848 -3.648 3.530 106 H ALA 15 H ALA 15 33.941 -3.373 -1.622 107 HA ALA 15 HA ALA 15 36.618 -4.190 -1.889 108 HB1 ALA 15 HB1 ALA 15 36.360 -3.600 -4.266 109 HB2 ALA 15 HB2 ALA 15 34.827 -2.784 -3.880 110 HB3 ALA 15 HB3 ALA 15 34.982 -4.542 -3.651 111 H ASP 16 H ASP 16 35.196 -1.012 -1.533 112 HA ASP 16 HA ASP 16 37.658 0.331 -2.310 113 HB2 ASP 16 HB2 ASP 16 34.848 1.132 -2.165 114 HB3 ASP 16 HB3 ASP 16 35.917 2.072 -1.095 115 H DAL 17 H DAL 17 37.150 -1.357 0.296 116 HA DAL 17 HA DAL 17 38.759 0.360 1.977 117 HB1 DAL 17 HB1 DAL 17 38.916 -1.598 3.461 118 HB2 DAL 17 HB2 DAL 17 39.358 -1.985 1.782 119 HB3 DAL 17 HB3 DAL 17 37.765 -2.463 2.415 120 H GLY 18 H GLY 18 35.459 -0.016 1.541 121 HA2 GLY 18 HA2 GLY 18 33.607 0.623 2.737 122 HA3 GLY 18 HA3 GLY 18 34.435 -0.042 4.165 123 H TRP 19 H TRP 19 35.200 1.322 5.669 124 HA TRP 19 HA TRP 19 34.438 4.056 5.576 125 HB2 TRP 19 HB2 TRP 19 36.121 2.459 7.534 126 HB3 TRP 19 HB3 TRP 19 35.767 4.189 7.759 127 HD1 TRP 19 HD1 TRP 19 34.506 0.913 8.717 128 HE1 TRP 19 HE1 TRP 19 32.092 1.072 9.592 129 HE3 TRP 19 HE3 TRP 19 33.345 5.610 7.054 130 HZ2 TRP 19 HZ2 TRP 19 29.975 2.940 9.579 131 HZ3 TRP 19 HZ3 TRP 19 31.104 6.507 7.527 132 HH2 TRP 19 HH2 TRP 19 29.455 5.198 8.763 133 H ALA 20 H ALA 20 37.407 2.353 4.850 134 HA ALA 20 HA ALA 20 38.933 4.833 4.657 135 HB1 ALA 20 HB1 ALA 20 40.850 3.366 4.170 136 HB2 ALA 20 HB2 ALA 20 39.765 1.957 4.209 137 HB3 ALA 20 HB3 ALA 20 40.030 2.917 5.684 138 H SER 21 H SER 21 36.801 4.765 2.871 139 HA SER 21 HA SER 21 37.946 4.048 0.272 140 HB2 SER 21 HB2 SER 21 35.710 3.216 0.635 141 HB3 SER 21 HB3 SER 21 35.139 4.835 1.100 142 HG SER 21 HG SER 21 34.588 4.750 -0.991 Start of MODEL 25 1 H1 ARG 1 H1 ARG 1 33.194 7.563 1.566 2 H2 ARG 1 H2 ARG 1 32.981 8.531 2.692 3 H3 ARG 1 H3 ARG 1 33.280 7.091 2.987 4 HA ARG 1 HA ARG 1 30.671 8.199 2.730 5 HB2 ARG 1 HB2 ARG 1 29.710 6.779 0.986 6 HB3 ARG 1 HB3 ARG 1 30.959 7.882 0.363 7 HG2 ARG 1 HG2 ARG 1 32.587 5.942 0.520 8 HG3 ARG 1 HG3 ARG 1 31.184 4.896 0.846 9 HD2 ARG 1 HD2 ARG 1 31.417 6.666 -1.609 10 HD3 ARG 1 HD3 ARG 1 31.951 4.969 -1.572 11 HE ARG 1 HE ARG 1 29.712 4.293 -1.413 12 HH11 ARG 1 HH11 ARG 1 29.980 7.785 -1.582 13 HH12 ARG 1 HH12 ARG 1 28.291 8.011 -1.994 14 HH21 ARG 1 HH21 ARG 1 27.525 4.585 -1.948 15 HH22 ARG 1 HH22 ARG 1 26.908 6.207 -2.200 16 HA PRO 2 HA PRO 2 30.066 4.817 5.538 17 HB2 PRO 2 HB2 PRO 2 27.450 5.193 6.156 18 HB3 PRO 2 HB3 PRO 2 28.682 6.364 6.649 19 HG2 PRO 2 HG2 PRO 2 26.740 6.494 4.334 20 HG3 PRO 2 HG3 PRO 2 27.274 7.785 5.419 21 HD2 PRO 2 HD2 PRO 2 28.305 7.354 2.846 22 HD3 PRO 2 HD3 PRO 2 29.144 8.259 4.112 23 HA PRO 3 HA PRO 3 28.508 1.168 3.577 24 HB2 PRO 3 HB2 PRO 3 26.762 0.575 5.923 25 HB3 PRO 3 HB3 PRO 3 28.082 -0.389 5.246 26 HG2 PRO 3 HG2 PRO 3 28.283 1.032 7.586 27 HG3 PRO 3 HG3 PRO 3 29.672 0.622 6.571 28 HD2 PRO 3 HD2 PRO 3 28.365 3.266 6.983 29 HD3 PRO 3 HD3 PRO 3 29.997 2.902 6.407 30 HA PRO 4 HA PRO 4 24.519 2.715 2.148 31 HB2 PRO 4 HB2 PRO 4 24.517 1.526 -0.286 32 HB3 PRO 4 HB3 PRO 4 25.577 2.900 0.057 33 HG2 PRO 4 HG2 PRO 4 26.237 -0.060 0.034 34 HG3 PRO 4 HG3 PRO 4 27.158 1.291 -0.640 35 HD2 PRO 4 HD2 PRO 4 27.750 0.129 1.808 36 HD3 PRO 4 HD3 PRO 4 28.150 1.808 1.421 37 H SER 5 H SER 5 22.437 1.888 1.951 38 HA SER 5 HA SER 5 21.862 -0.536 3.262 39 HB2 SER 5 HB2 SER 5 20.124 1.240 1.534 40 HB3 SER 5 HB3 SER 5 19.508 -0.141 2.471 41 HG SER 5 HG SER 5 19.323 1.861 3.614 42 H ASP 6 H ASP 6 21.347 0.308 -0.172 43 HA ASP 6 HA ASP 6 20.363 -2.017 -1.157 44 HB2 ASP 6 HB2 ASP 6 22.402 -0.182 -2.544 45 HB3 ASP 6 HB3 ASP 6 21.539 -1.594 -3.204 46 H AIB 7 H AIB 7 21.200 -3.912 -2.133 47 HB11 AIB 7 HB11 AIB 7 24.320 -6.099 -0.311 48 HB12 AIB 7 HB12 AIB 7 24.276 -4.352 0.029 49 HB13 AIB 7 HB13 AIB 7 22.923 -5.392 0.532 50 HB21 AIB 7 HB21 AIB 7 21.646 -6.564 -1.098 51 HB22 AIB 7 HB22 AIB 7 22.480 -6.822 -2.574 52 HB23 AIB 7 HB23 AIB 7 21.170 -5.718 -2.511 53 H ALA 8 H ALA 8 22.981 -4.071 -4.009 54 HA ALA 8 HA ALA 8 25.358 -5.181 -4.989 55 HB1 ALA 8 HB1 ALA 8 25.149 -3.576 -6.843 56 HB2 ALA 8 HB2 ALA 8 23.895 -2.707 -5.929 57 HB3 ALA 8 HB3 ALA 8 23.605 -4.377 -6.469 58 H ALA 9 H ALA 9 24.744 -1.853 -3.825 59 HA ALA 9 HA ALA 9 27.377 -0.956 -4.343 60 HB1 ALA 9 HB1 ALA 9 26.770 1.032 -3.032 61 HB2 ALA 9 HB2 ALA 9 25.281 0.213 -2.509 62 HB3 ALA 9 HB3 ALA 9 25.523 0.606 -4.228 63 H TYR 10 H TYR 10 25.912 -2.539 -1.585 64 HA TYR 10 HA TYR 10 27.743 -1.814 0.405 65 HB2 TYR 10 HB2 TYR 10 25.613 -2.895 0.880 66 HB3 TYR 10 HB3 TYR 10 26.190 -4.382 0.088 67 HD1 TYR 10 HD1 TYR 10 26.884 -2.108 2.969 68 HD2 TYR 10 HD2 TYR 10 27.360 -6.009 1.344 69 HE1 TYR 10 HE1 TYR 10 27.813 -2.880 5.111 70 HE2 TYR 10 HE2 TYR 10 28.294 -6.790 3.478 71 HH TYR 10 HH TYR 10 28.651 -4.592 6.247 72 H ALA 11 H ALA 11 27.935 -4.227 -2.140 73 HA ALA 11 HA ALA 11 30.149 -5.670 -1.090 74 HB1 ALA 11 HB1 ALA 11 30.318 -6.653 -3.341 75 HB2 ALA 11 HB2 ALA 11 29.128 -5.471 -3.932 76 HB3 ALA 11 HB3 ALA 11 28.651 -6.684 -2.721 77 H GLN 12 H GLN 12 29.894 -3.235 -3.702 78 HA GLN 12 HA GLN 12 32.648 -3.012 -4.203 79 HB2 GLN 12 HB2 GLN 12 30.528 -2.086 -5.451 80 HB3 GLN 12 HB3 GLN 12 30.856 -0.643 -4.463 81 HG2 GLN 12 HG2 GLN 12 32.253 -0.199 -6.572 82 HG3 GLN 12 HG3 GLN 12 33.119 -0.870 -5.171 83 HE21 GLN 12 HE22 GLN 12 34.706 -2.112 -5.962 84 HE22 GLN 12 HE21 GLN 12 34.515 -3.329 -7.180 85 H TRP 13 H TRP 13 30.556 -1.487 -1.833 86 HA TRP 13 HA TRP 13 32.215 0.570 -0.930 87 HB2 TRP 13 HB2 TRP 13 29.852 0.360 -0.232 88 HB3 TRP 13 HB3 TRP 13 30.242 -1.130 0.659 89 HD1 TRP 13 HD1 TRP 13 30.865 2.671 0.810 90 HE1 TRP 13 HE1 TRP 13 31.338 3.282 3.266 91 HE3 TRP 13 HE3 TRP 13 30.991 -2.024 2.797 92 HZ2 TRP 13 HZ2 TRP 13 31.710 1.943 5.726 93 HZ3 TRP 13 HZ3 TRP 13 31.417 -2.283 5.207 94 HH2 TRP 13 HH2 TRP 13 31.771 -0.338 6.640 95 H LEU 14 H LEU 14 31.998 -2.833 0.092 96 HA LEU 14 HA LEU 14 33.977 -2.742 2.101 97 HB2 LEU 14 HB2 LEU 14 33.009 -4.846 0.298 98 HB3 LEU 14 HB3 LEU 14 34.135 -5.301 1.598 99 HG LEU 14 HG LEU 14 31.345 -4.140 1.997 100 HD11 LEU 14 HD11 LEU 14 30.759 -6.362 2.849 101 HD12 LEU 14 HD12 LEU 14 31.267 -6.426 1.145 102 HD13 LEU 14 HD13 LEU 14 32.385 -6.947 2.427 103 HD21 LEU 14 HD21 LEU 14 31.699 -4.659 4.370 104 HD22 LEU 14 HD22 LEU 14 33.358 -5.193 4.004 105 HD23 LEU 14 HD23 LEU 14 32.902 -3.488 3.777 106 H ALA 15 H ALA 15 34.119 -3.489 -1.357 107 HA ALA 15 HA ALA 15 36.810 -4.233 -1.532 108 HB1 ALA 15 HB1 ALA 15 36.601 -3.742 -3.936 109 HB2 ALA 15 HB2 ALA 15 35.050 -2.931 -3.619 110 HB3 ALA 15 HB3 ALA 15 35.220 -4.676 -3.316 111 H ASP 16 H ASP 16 35.330 -1.055 -1.379 112 HA ASP 16 HA ASP 16 37.800 0.284 -2.135 113 HB2 ASP 16 HB2 ASP 16 35.068 1.015 -2.361 114 HB3 ASP 16 HB3 ASP 16 35.765 1.875 -0.966 115 H DAL 17 H DAL 17 37.362 -1.321 0.487 116 HA DAL 17 HA DAL 17 38.838 0.513 2.154 117 HB1 DAL 17 HB1 DAL 17 39.047 -1.392 3.696 118 HB2 DAL 17 HB2 DAL 17 39.535 -1.810 2.038 119 HB3 DAL 17 HB3 DAL 17 37.951 -2.334 2.658 120 H GLY 18 H GLY 18 35.536 -0.364 1.801 121 HA2 GLY 18 HA2 GLY 18 33.637 0.228 2.952 122 HA3 GLY 18 HA3 GLY 18 34.564 -0.158 4.421 123 H TRP 19 H TRP 19 35.126 1.454 5.750 124 HA TRP 19 HA TRP 19 34.029 4.034 5.390 125 HB2 TRP 19 HB2 TRP 19 35.839 2.781 7.444 126 HB3 TRP 19 HB3 TRP 19 35.601 4.545 7.445 127 HD1 TRP 19 HD1 TRP 19 34.101 1.429 8.731 128 HE1 TRP 19 HE1 TRP 19 31.771 1.900 9.720 129 HE3 TRP 19 HE3 TRP 19 33.370 6.135 6.877 130 HZ2 TRP 19 HZ2 TRP 19 29.874 3.993 9.713 131 HZ3 TRP 19 HZ3 TRP 19 31.274 7.304 7.414 132 HH2 TRP 19 HH2 TRP 19 29.562 6.253 8.802 133 H ALA 20 H ALA 20 37.166 2.691 4.645 134 HA ALA 20 HA ALA 20 38.330 5.320 4.168 135 HB1 ALA 20 HB1 ALA 20 40.385 4.074 3.627 136 HB2 ALA 20 HB2 ALA 20 39.497 2.548 3.834 137 HB3 ALA 20 HB3 ALA 20 39.733 3.633 5.223 138 H SER 21 H SER 21 36.090 4.791 2.558 139 HA SER 21 HA SER 21 37.168 4.105 -0.076 140 HB2 SER 21 HB2 SER 21 35.131 2.945 0.491 141 HB3 SER 21 HB3 SER 21 34.328 4.475 0.914 142 HG SER 21 HG SER 21 33.827 3.637 -1.234 Start of MODEL 26 1 H1 ARG 1 H1 ARG 1 32.534 7.660 1.163 2 H2 ARG 1 H2 ARG 1 32.303 8.580 2.325 3 H3 ARG 1 H3 ARG 1 32.723 7.160 2.565 4 HA ARG 1 HA ARG 1 30.030 8.075 2.453 5 HB2 ARG 1 HB2 ARG 1 29.116 6.567 0.725 6 HB3 ARG 1 HB3 ARG 1 30.170 7.850 0.086 7 HG2 ARG 1 HG2 ARG 1 31.994 6.277 -0.206 8 HG3 ARG 1 HG3 ARG 1 31.052 4.985 0.578 9 HD2 ARG 1 HD2 ARG 1 29.446 4.980 -1.238 10 HD3 ARG 1 HD3 ARG 1 30.223 6.396 -1.983 11 HE ARG 1 HE ARG 1 32.045 5.014 -2.614 12 HH11 ARG 1 HH11 ARG 1 29.405 3.210 -1.171 13 HH12 ARG 1 HH12 ARG 1 29.931 1.680 -1.845 14 HH21 ARG 1 HH21 ARG 1 32.724 3.030 -3.486 15 HH22 ARG 1 HH22 ARG 1 31.800 1.579 -3.149 16 HA PRO 2 HA PRO 2 30.140 4.748 5.466 17 HB2 PRO 2 HB2 PRO 2 27.226 5.268 5.771 18 HB3 PRO 2 HB3 PRO 2 28.510 5.391 6.981 19 HG2 PRO 2 HG2 PRO 2 27.316 7.587 5.930 20 HG3 PRO 2 HG3 PRO 2 29.013 7.596 6.427 21 HD2 PRO 2 HD2 PRO 2 27.850 7.427 3.635 22 HD3 PRO 2 HD3 PRO 2 29.306 8.263 4.190 23 HA PRO 3 HA PRO 3 28.620 1.084 3.534 24 HB2 PRO 3 HB2 PRO 3 27.300 -0.200 5.652 25 HB3 PRO 3 HB3 PRO 3 29.043 -0.276 5.357 26 HG2 PRO 3 HG2 PRO 3 27.504 1.477 7.267 27 HG3 PRO 3 HG3 PRO 3 29.070 0.684 7.484 28 HD2 PRO 3 HD2 PRO 3 28.916 3.342 6.937 29 HD3 PRO 3 HD3 PRO 3 30.237 2.364 6.285 30 HA PRO 4 HA PRO 4 24.370 2.337 2.667 31 HB2 PRO 4 HB2 PRO 4 24.266 1.402 0.116 32 HB3 PRO 4 HB3 PRO 4 25.143 2.883 0.522 33 HG2 PRO 4 HG2 PRO 4 26.217 0.097 0.048 34 HG3 PRO 4 HG3 PRO 4 26.890 1.654 -0.451 35 HD2 PRO 4 HD2 PRO 4 27.766 0.215 1.782 36 HD3 PRO 4 HD3 PRO 4 27.998 1.956 1.581 37 H SER 5 H SER 5 22.525 1.281 3.059 38 HA SER 5 HA SER 5 22.381 -1.335 3.936 39 HB2 SER 5 HB2 SER 5 20.208 0.435 2.795 40 HB3 SER 5 HB3 SER 5 19.896 -1.119 3.601 41 HG SER 5 HG SER 5 19.736 0.680 5.048 42 H ASP 6 H ASP 6 21.473 -0.104 0.710 43 HA ASP 6 HA ASP 6 20.380 -2.370 -0.391 44 HB2 ASP 6 HB2 ASP 6 22.091 -0.250 -1.815 45 HB3 ASP 6 HB3 ASP 6 21.211 -1.630 -2.516 46 H AIB 7 H AIB 7 21.183 -4.050 -1.766 47 HB11 AIB 7 HB11 AIB 7 24.523 -6.251 -0.514 48 HB12 AIB 7 HB12 AIB 7 24.399 -4.570 0.055 49 HB13 AIB 7 HB13 AIB 7 23.138 -5.750 0.483 50 HB21 AIB 7 HB21 AIB 7 21.807 -6.754 -1.195 51 HB22 AIB 7 HB22 AIB 7 22.670 -6.856 -2.674 52 HB23 AIB 7 HB23 AIB 7 21.299 -5.834 -2.550 53 H ALA 8 H ALA 8 22.768 -3.814 -3.795 54 HA ALA 8 HA ALA 8 25.057 -4.721 -5.154 55 HB1 ALA 8 HB1 ALA 8 24.558 -2.969 -6.807 56 HB2 ALA 8 HB2 ALA 8 23.372 -2.268 -5.681 57 HB3 ALA 8 HB3 ALA 8 23.111 -3.897 -6.346 58 H ALA 9 H ALA 9 24.434 -1.462 -3.787 59 HA ALA 9 HA ALA 9 27.017 -0.503 -4.396 60 HB1 ALA 9 HB1 ALA 9 26.465 1.417 -2.963 61 HB2 ALA 9 HB2 ALA 9 25.016 0.554 -2.396 62 HB3 ALA 9 HB3 ALA 9 25.158 1.025 -4.106 63 H TYR 10 H TYR 10 25.749 -2.198 -1.585 64 HA TYR 10 HA TYR 10 27.754 -1.535 0.260 65 HB2 TYR 10 HB2 TYR 10 25.632 -2.672 0.816 66 HB3 TYR 10 HB3 TYR 10 26.267 -4.148 0.048 67 HD1 TYR 10 HD1 TYR 10 26.672 -1.842 2.925 68 HD2 TYR 10 HD2 TYR 10 27.858 -5.546 1.202 69 HE1 TYR 10 HE1 TYR 10 27.744 -2.478 5.044 70 HE2 TYR 10 HE2 TYR 10 28.935 -6.190 3.319 71 HH TYR 10 HH TYR 10 29.888 -4.349 5.532 72 H ALA 11 H ALA 11 27.695 -3.878 -2.357 73 HA ALA 11 HA ALA 11 30.002 -5.345 -1.626 74 HB1 ALA 11 HB1 ALA 11 30.013 -6.122 -3.963 75 HB2 ALA 11 HB2 ALA 11 28.782 -4.901 -4.361 76 HB3 ALA 11 HB3 ALA 11 28.393 -6.222 -3.234 77 H GLN 12 H GLN 12 29.541 -2.673 -3.959 78 HA GLN 12 HA GLN 12 32.244 -2.371 -4.660 79 HB2 GLN 12 HB2 GLN 12 30.051 -1.346 -5.646 80 HB3 GLN 12 HB3 GLN 12 30.404 -0.022 -4.510 81 HG2 GLN 12 HG2 GLN 12 31.599 0.654 -6.717 82 HG3 GLN 12 HG3 GLN 12 32.566 0.045 -5.353 83 HE21 GLN 12 HE22 GLN 12 34.293 -0.875 -6.314 84 HE22 GLN 12 HE21 GLN 12 34.213 -2.105 -7.532 85 H TRP 13 H TRP 13 30.344 -1.081 -1.999 86 HA TRP 13 HA TRP 13 32.080 0.862 -1.009 87 HB2 TRP 13 HB2 TRP 13 29.768 0.560 -0.171 88 HB3 TRP 13 HB3 TRP 13 30.232 -1.001 0.546 89 HD1 TRP 13 HD1 TRP 13 30.928 2.774 0.984 90 HE1 TRP 13 HE1 TRP 13 31.545 3.159 3.455 91 HE3 TRP 13 HE3 TRP 13 31.024 -2.079 2.552 92 HZ2 TRP 13 HZ2 TRP 13 32.011 1.602 5.768 93 HZ3 TRP 13 HZ3 TRP 13 31.566 -2.557 4.905 94 HH2 TRP 13 HH2 TRP 13 32.049 -0.751 6.480 95 H LEU 14 H LEU 14 31.897 -2.620 -0.279 96 HA LEU 14 HA LEU 14 34.025 -2.729 1.563 97 HB2 LEU 14 HB2 LEU 14 32.903 -4.653 -0.349 98 HB3 LEU 14 HB3 LEU 14 34.107 -5.231 0.825 99 HG LEU 14 HG LEU 14 31.371 -4.084 1.519 100 HD11 LEU 14 HD11 LEU 14 30.799 -6.370 2.194 101 HD12 LEU 14 HD12 LEU 14 31.189 -6.273 0.460 102 HD13 LEU 14 HD13 LEU 14 32.381 -6.933 1.605 103 HD21 LEU 14 HD21 LEU 14 31.869 -4.835 3.801 104 HD22 LEU 14 HD22 LEU 14 33.490 -5.351 3.275 105 HD23 LEU 14 HD23 LEU 14 33.051 -3.627 3.243 106 H ALA 15 H ALA 15 33.909 -3.106 -1.953 107 HA ALA 15 HA ALA 15 36.558 -3.884 -2.400 108 HB1 ALA 15 HB1 ALA 15 36.207 -3.124 -4.715 109 HB2 ALA 15 HB2 ALA 15 34.704 -2.321 -4.205 110 HB3 ALA 15 HB3 ALA 15 34.843 -4.092 -4.107 111 H ASP 16 H ASP 16 35.169 -0.689 -1.891 112 HA ASP 16 HA ASP 16 37.630 0.657 -2.632 113 HB2 ASP 16 HB2 ASP 16 34.886 1.475 -2.505 114 HB3 ASP 16 HB3 ASP 16 35.806 2.221 -1.176 115 H DAL 17 H DAL 17 37.034 -1.138 -0.045 116 HA DAL 17 HA DAL 17 38.724 0.508 1.678 117 HB1 DAL 17 HB1 DAL 17 39.103 -1.566 2.947 118 HB2 DAL 17 HB2 DAL 17 39.500 -1.746 1.223 119 HB3 DAL 17 HB3 DAL 17 37.981 -2.418 1.860 120 H GLY 18 H GLY 18 35.498 0.242 1.290 121 HA2 GLY 18 HA2 GLY 18 33.654 0.599 2.615 122 HA3 GLY 18 HA3 GLY 18 34.512 -0.291 3.894 123 H TRP 19 H TRP 19 35.266 0.808 5.602 124 HA TRP 19 HA TRP 19 34.551 3.545 5.930 125 HB2 TRP 19 HB2 TRP 19 36.120 1.599 7.651 126 HB3 TRP 19 HB3 TRP 19 35.841 3.289 8.134 127 HD1 TRP 19 HD1 TRP 19 34.402 -0.027 8.549 128 HE1 TRP 19 HE1 TRP 19 31.973 0.118 9.387 129 HE3 TRP 19 HE3 TRP 19 33.510 4.918 7.607 130 HZ2 TRP 19 HZ2 TRP 19 29.947 2.070 9.620 131 HZ3 TRP 19 HZ3 TRP 19 31.302 5.846 8.165 132 HH2 TRP 19 HH2 TRP 19 29.557 4.450 9.149 133 H ALA 20 H ALA 20 37.485 1.884 4.998 134 HA ALA 20 HA ALA 20 39.075 4.327 5.221 135 HB1 ALA 20 HB1 ALA 20 40.982 2.894 4.614 136 HB2 ALA 20 HB2 ALA 20 39.870 1.518 4.425 137 HB3 ALA 20 HB3 ALA 20 40.094 2.268 6.023 138 H SER 21 H SER 21 37.000 4.511 3.354 139 HA SER 21 HA SER 21 38.279 4.167 0.740 140 HB2 SER 21 HB2 SER 21 36.050 3.253 0.857 141 HB3 SER 21 HB3 SER 21 35.416 4.774 1.526 142 HG SER 21 HG SER 21 36.577 4.477 -1.063 Start of MODEL 27 1 H1 ARG 1 H1 ARG 1 32.622 7.404 0.683 2 H2 ARG 1 H2 ARG 1 32.493 8.457 1.742 3 H3 ARG 1 H3 ARG 1 32.798 7.040 2.127 4 HA ARG 1 HA ARG 1 30.187 8.162 1.947 5 HB2 ARG 1 HB2 ARG 1 29.091 6.697 0.370 6 HB3 ARG 1 HB3 ARG 1 30.397 7.614 -0.416 7 HG2 ARG 1 HG2 ARG 1 31.455 5.121 0.546 8 HG3 ARG 1 HG3 ARG 1 29.979 4.792 -0.393 9 HD2 ARG 1 HD2 ARG 1 31.893 6.744 -1.567 10 HD3 ARG 1 HD3 ARG 1 32.428 5.049 -1.507 11 HE ARG 1 HE ARG 1 30.681 4.471 -2.965 12 HH11 ARG 1 HH11 ARG 1 30.710 7.914 -2.296 13 HH12 ARG 1 HH12 ARG 1 29.689 8.305 -3.666 14 HH21 ARG 1 HH21 ARG 1 29.362 4.980 -4.740 15 HH22 ARG 1 HH22 ARG 1 28.930 6.652 -5.042 16 HA PRO 2 HA PRO 2 29.930 5.138 5.233 17 HB2 PRO 2 HB2 PRO 2 27.024 5.701 5.361 18 HB3 PRO 2 HB3 PRO 2 28.267 6.021 6.578 19 HG2 PRO 2 HG2 PRO 2 27.068 8.009 5.155 20 HG3 PRO 2 HG3 PRO 2 28.729 8.138 5.748 21 HD2 PRO 2 HD2 PRO 2 27.751 7.537 2.946 22 HD3 PRO 2 HD3 PRO 2 29.147 8.492 3.461 23 HA PRO 3 HA PRO 3 28.499 1.309 3.558 24 HB2 PRO 3 HB2 PRO 3 27.048 0.278 5.749 25 HB3 PRO 3 HB3 PRO 3 28.789 0.090 5.499 26 HG2 PRO 3 HG2 PRO 3 27.309 2.074 7.214 27 HG3 PRO 3 HG3 PRO 3 28.845 1.252 7.517 28 HD2 PRO 3 HD2 PRO 3 28.796 3.849 6.740 29 HD3 PRO 3 HD3 PRO 3 30.076 2.769 6.171 30 HA PRO 4 HA PRO 4 24.315 2.555 2.396 31 HB2 PRO 4 HB2 PRO 4 24.314 1.441 -0.081 32 HB3 PRO 4 HB3 PRO 4 25.203 2.932 0.260 33 HG2 PRO 4 HG2 PRO 4 26.239 0.098 0.044 34 HG3 PRO 4 HG3 PRO 4 26.964 1.600 -0.543 35 HD2 PRO 4 HD2 PRO 4 27.713 0.327 1.833 36 HD3 PRO 4 HD3 PRO 4 27.984 2.044 1.511 37 H SER 5 H SER 5 22.426 1.552 2.745 38 HA SER 5 HA SER 5 22.220 -1.004 3.801 39 HB2 SER 5 HB2 SER 5 20.112 0.714 2.473 40 HB3 SER 5 HB3 SER 5 19.751 -0.782 3.365 41 HG SER 5 HG SER 5 19.561 1.108 4.685 42 H ASP 6 H ASP 6 21.446 0.034 0.474 43 HA ASP 6 HA ASP 6 20.373 -2.272 -0.546 44 HB2 ASP 6 HB2 ASP 6 22.216 -0.286 -1.998 45 HB3 ASP 6 HB3 ASP 6 21.339 -1.687 -2.662 46 H AIB 7 H AIB 7 21.204 -4.051 -1.769 47 HB11 AIB 7 HB11 AIB 7 24.453 -6.249 -0.235 48 HB12 AIB 7 HB12 AIB 7 24.368 -4.528 0.212 49 HB13 AIB 7 HB13 AIB 7 23.067 -5.640 0.698 50 HB21 AIB 7 HB21 AIB 7 21.737 -6.724 -0.933 51 HB22 AIB 7 HB22 AIB 7 22.586 -6.934 -2.409 52 HB23 AIB 7 HB23 AIB 7 21.249 -5.863 -2.333 53 H ALA 8 H ALA 8 22.877 -3.989 -3.713 54 HA ALA 8 HA ALA 8 25.184 -5.060 -4.912 55 HB1 ALA 8 HB1 ALA 8 24.807 -3.413 -6.702 56 HB2 ALA 8 HB2 ALA 8 23.603 -2.599 -5.677 57 HB3 ALA 8 HB3 ALA 8 23.314 -4.262 -6.239 58 H ALA 9 H ALA 9 24.617 -1.709 -3.763 59 HA ALA 9 HA ALA 9 27.256 -0.871 -4.345 60 HB1 ALA 9 HB1 ALA 9 26.705 1.166 -3.082 61 HB2 ALA 9 HB2 ALA 9 25.205 0.392 -2.521 62 HB3 ALA 9 HB3 ALA 9 25.437 0.728 -4.252 63 H TYR 10 H TYR 10 25.812 -2.310 -1.471 64 HA TYR 10 HA TYR 10 27.756 -1.566 0.405 65 HB2 TYR 10 HB2 TYR 10 25.575 -2.626 0.930 66 HB3 TYR 10 HB3 TYR 10 26.237 -4.167 0.333 67 HD1 TYR 10 HD1 TYR 10 26.483 -1.624 3.017 68 HD2 TYR 10 HD2 TYR 10 27.772 -5.454 1.688 69 HE1 TYR 10 HE1 TYR 10 27.428 -2.072 5.241 70 HE2 TYR 10 HE2 TYR 10 28.725 -5.910 3.909 71 HH TYR 10 HH TYR 10 27.991 -4.641 6.524 72 H ALA 11 H ALA 11 27.757 -4.083 -2.046 73 HA ALA 11 HA ALA 11 29.989 -5.544 -1.086 74 HB1 ALA 11 HB1 ALA 11 30.073 -6.524 -3.344 75 HB2 ALA 11 HB2 ALA 11 28.888 -5.317 -3.896 76 HB3 ALA 11 HB3 ALA 11 28.424 -6.524 -2.674 77 H GLN 12 H GLN 12 29.698 -3.086 -3.670 78 HA GLN 12 HA GLN 12 32.441 -2.917 -4.263 79 HB2 GLN 12 HB2 GLN 12 30.322 -1.954 -5.453 80 HB3 GLN 12 HB3 GLN 12 30.677 -0.525 -4.454 81 HG2 GLN 12 HG2 GLN 12 31.907 -0.504 -6.917 82 HG3 GLN 12 HG3 GLN 12 32.589 -0.187 -5.304 83 HE21 GLN 12 HE22 GLN 12 32.031 -2.932 -7.556 84 HE22 GLN 12 HE21 GLN 12 33.584 -3.661 -7.314 85 H TRP 13 H TRP 13 30.458 -1.327 -1.838 86 HA TRP 13 HA TRP 13 32.204 0.669 -0.973 87 HB2 TRP 13 HB2 TRP 13 29.865 0.535 -0.196 88 HB3 TRP 13 HB3 TRP 13 30.226 -0.984 0.657 89 HD1 TRP 13 HD1 TRP 13 31.104 2.780 0.834 90 HE1 TRP 13 HE1 TRP 13 31.619 3.327 3.297 91 HE3 TRP 13 HE3 TRP 13 30.845 -1.931 2.786 92 HZ2 TRP 13 HZ2 TRP 13 31.876 1.946 5.746 93 HZ3 TRP 13 HZ3 TRP 13 31.243 -2.240 5.196 94 HH2 TRP 13 HH2 TRP 13 31.748 -0.337 6.644 95 H LEU 14 H LEU 14 31.901 -2.722 0.071 96 HA LEU 14 HA LEU 14 33.948 -2.706 2.009 97 HB2 LEU 14 HB2 LEU 14 32.851 -4.773 0.238 98 HB3 LEU 14 HB3 LEU 14 33.993 -5.267 1.509 99 HG LEU 14 HG LEU 14 31.258 -4.010 1.972 100 HD11 LEU 14 HD11 LEU 14 30.619 -6.203 2.856 101 HD12 LEU 14 HD12 LEU 14 31.079 -6.294 1.140 102 HD13 LEU 14 HD13 LEU 14 32.212 -6.846 2.396 103 HD21 LEU 14 HD21 LEU 14 31.650 -4.524 4.339 104 HD22 LEU 14 HD22 LEU 14 33.282 -5.113 3.938 105 HD23 LEU 14 HD23 LEU 14 32.874 -3.396 3.710 106 H ALA 15 H ALA 15 33.962 -3.453 -1.454 107 HA ALA 15 HA ALA 15 36.608 -4.314 -1.707 108 HB1 ALA 15 HB1 ALA 15 36.368 -3.789 -4.101 109 HB2 ALA 15 HB2 ALA 15 34.866 -2.908 -3.740 110 HB3 ALA 15 HB3 ALA 15 34.958 -4.662 -3.456 111 H ASP 16 H ASP 16 35.290 -1.063 -1.515 112 HA ASP 16 HA ASP 16 37.827 0.140 -2.286 113 HB2 ASP 16 HB2 ASP 16 35.112 1.016 -2.479 114 HB3 ASP 16 HB3 ASP 16 35.932 1.892 -1.162 115 H DAL 17 H DAL 17 37.265 -1.402 0.358 116 HA DAL 17 HA DAL 17 38.831 0.378 2.009 117 HB1 DAL 17 HB1 DAL 17 38.949 -1.522 3.569 118 HB2 DAL 17 HB2 DAL 17 39.428 -1.970 1.915 119 HB3 DAL 17 HB3 DAL 17 37.821 -2.424 2.529 120 H GLY 18 H GLY 18 35.523 -0.068 1.546 121 HA2 GLY 18 HA2 GLY 18 33.655 0.631 2.683 122 HA3 GLY 18 HA3 GLY 18 34.469 0.039 4.150 123 H TRP 19 H TRP 19 35.217 1.479 5.598 124 HA TRP 19 HA TRP 19 34.432 4.197 5.378 125 HB2 TRP 19 HB2 TRP 19 36.120 2.702 7.408 126 HB3 TRP 19 HB3 TRP 19 35.782 4.443 7.548 127 HD1 TRP 19 HD1 TRP 19 34.496 1.232 8.673 128 HE1 TRP 19 HE1 TRP 19 32.085 1.454 9.542 129 HE3 TRP 19 HE3 TRP 19 33.366 5.845 6.775 130 HZ2 TRP 19 HZ2 TRP 19 29.982 3.333 9.438 131 HZ3 TRP 19 HZ3 TRP 19 31.132 6.781 7.205 132 HH2 TRP 19 HH2 TRP 19 29.475 5.549 8.509 133 H ALA 20 H ALA 20 37.415 2.496 4.719 134 HA ALA 20 HA ALA 20 38.922 4.977 4.421 135 HB1 ALA 20 HB1 ALA 20 40.847 3.506 3.984 136 HB2 ALA 20 HB2 ALA 20 39.772 2.092 4.081 137 HB3 ALA 20 HB3 ALA 20 40.036 3.109 5.517 138 H SER 21 H SER 21 36.789 4.836 2.652 139 HA SER 21 HA SER 21 37.908 4.002 0.081 140 HB2 SER 21 HB2 SER 21 35.684 3.207 0.399 141 HB3 SER 21 HB3 SER 21 35.122 4.804 0.945 142 HG SER 21 HG SER 21 36.145 4.324 -1.669 Start of MODEL 28 1 H1 ARG 1 H1 ARG 1 32.779 7.316 0.580 2 H2 ARG 1 H2 ARG 1 32.676 8.375 1.637 3 H3 ARG 1 H3 ARG 1 32.966 6.956 2.024 4 HA ARG 1 HA ARG 1 30.370 8.112 1.869 5 HB2 ARG 1 HB2 ARG 1 29.235 6.671 0.308 6 HB3 ARG 1 HB3 ARG 1 30.557 7.547 -0.497 7 HG2 ARG 1 HG2 ARG 1 31.789 5.209 0.288 8 HG3 ARG 1 HG3 ARG 1 30.149 4.651 -0.122 9 HD2 ARG 1 HD2 ARG 1 31.797 6.406 -1.961 10 HD3 ARG 1 HD3 ARG 1 31.859 4.629 -2.014 11 HE ARG 1 HE ARG 1 29.617 4.606 -2.764 12 HH11 ARG 1 HH11 ARG 1 30.884 7.862 -2.445 13 HH12 ARG 1 HH12 ARG 1 29.653 8.566 -3.475 14 HH21 ARG 1 HH21 ARG 1 28.027 5.520 -4.103 15 HH22 ARG 1 HH22 ARG 1 28.044 7.245 -4.409 16 HA PRO 2 HA PRO 2 30.103 5.111 5.176 17 HB2 PRO 2 HB2 PRO 2 27.204 5.715 5.315 18 HB3 PRO 2 HB3 PRO 2 28.458 6.023 6.524 19 HG2 PRO 2 HG2 PRO 2 27.280 8.021 5.101 20 HG3 PRO 2 HG3 PRO 2 28.947 8.129 5.682 21 HD2 PRO 2 HD2 PRO 2 27.942 7.529 2.888 22 HD3 PRO 2 HD3 PRO 2 29.356 8.464 3.390 23 HA PRO 3 HA PRO 3 28.556 1.285 3.593 24 HB2 PRO 3 HB2 PRO 3 27.040 0.335 5.768 25 HB3 PRO 3 HB3 PRO 3 28.785 0.116 5.576 26 HG2 PRO 3 HG2 PRO 3 27.285 2.169 7.192 27 HG3 PRO 3 HG3 PRO 3 28.791 1.323 7.571 28 HD2 PRO 3 HD2 PRO 3 28.825 3.901 6.724 29 HD3 PRO 3 HD3 PRO 3 30.103 2.780 6.235 30 HA PRO 4 HA PRO 4 24.428 2.633 2.336 31 HB2 PRO 4 HB2 PRO 4 24.425 1.458 -0.115 32 HB3 PRO 4 HB3 PRO 4 25.353 2.931 0.202 33 HG2 PRO 4 HG2 PRO 4 26.307 0.061 0.076 34 HG3 PRO 4 HG3 PRO 4 27.081 1.524 -0.548 35 HD2 PRO 4 HD2 PRO 4 27.779 0.306 1.867 36 HD3 PRO 4 HD3 PRO 4 28.087 2.009 1.506 37 H SER 5 H SER 5 22.502 1.690 2.664 38 HA SER 5 HA SER 5 22.211 -0.810 3.814 39 HB2 SER 5 HB2 SER 5 20.540 0.943 4.062 40 HB3 SER 5 HB3 SER 5 20.136 0.827 2.334 41 HG SER 5 HG SER 5 18.669 -0.361 3.671 42 H ASP 6 H ASP 6 21.471 0.096 0.437 43 HA ASP 6 HA ASP 6 20.362 -2.273 -0.429 44 HB2 ASP 6 HB2 ASP 6 22.090 -0.310 -2.046 45 HB3 ASP 6 HB3 ASP 6 21.210 -1.753 -2.610 46 H AIB 7 H AIB 7 21.185 -4.063 -1.659 47 HB11 AIB 7 HB11 AIB 7 24.458 -6.236 -0.126 48 HB12 AIB 7 HB12 AIB 7 24.366 -4.518 0.332 49 HB13 AIB 7 HB13 AIB 7 23.067 -5.638 0.808 50 HB21 AIB 7 HB21 AIB 7 21.731 -6.695 -0.806 51 HB22 AIB 7 HB22 AIB 7 22.580 -6.930 -2.277 52 HB23 AIB 7 HB23 AIB 7 21.246 -5.856 -2.219 53 H ALA 8 H ALA 8 22.857 -4.018 -3.632 54 HA ALA 8 HA ALA 8 25.136 -5.122 -4.839 55 HB1 ALA 8 HB1 ALA 8 24.769 -3.484 -6.639 56 HB2 ALA 8 HB2 ALA 8 23.594 -2.638 -5.607 57 HB3 ALA 8 HB3 ALA 8 23.266 -4.301 -6.150 58 H ALA 9 H ALA 9 24.650 -1.740 -3.736 59 HA ALA 9 HA ALA 9 27.308 -0.982 -4.344 60 HB1 ALA 9 HB1 ALA 9 26.812 1.097 -3.127 61 HB2 ALA 9 HB2 ALA 9 25.295 0.373 -2.545 62 HB3 ALA 9 HB3 ALA 9 25.531 0.666 -4.284 63 H TYR 10 H TYR 10 25.851 -2.365 -1.460 64 HA TYR 10 HA TYR 10 27.791 -1.611 0.415 65 HB2 TYR 10 HB2 TYR 10 25.598 -2.663 0.931 66 HB3 TYR 10 HB3 TYR 10 26.274 -4.212 0.371 67 HD1 TYR 10 HD1 TYR 10 26.509 -1.601 2.997 68 HD2 TYR 10 HD2 TYR 10 27.776 -5.476 1.777 69 HE1 TYR 10 HE1 TYR 10 27.440 -1.998 5.238 70 HE2 TYR 10 HE2 TYR 10 28.709 -5.882 4.015 71 HH TYR 10 HH TYR 10 27.967 -4.517 6.597 72 H ALA 11 H ALA 11 27.795 -4.129 -2.028 73 HA ALA 11 HA ALA 11 30.022 -5.594 -1.057 74 HB1 ALA 11 HB1 ALA 11 30.108 -6.581 -3.309 75 HB2 ALA 11 HB2 ALA 11 28.925 -5.375 -3.867 76 HB3 ALA 11 HB3 ALA 11 28.458 -6.579 -2.642 77 H GLN 12 H GLN 12 29.743 -3.151 -3.659 78 HA GLN 12 HA GLN 12 32.486 -2.992 -4.244 79 HB2 GLN 12 HB2 GLN 12 30.373 -2.010 -5.440 80 HB3 GLN 12 HB3 GLN 12 30.724 -0.587 -4.431 81 HG2 GLN 12 HG2 GLN 12 32.983 -1.667 -6.319 82 HG3 GLN 12 HG3 GLN 12 31.492 -0.783 -6.722 83 HE21 GLN 12 HE22 GLN 12 34.570 -0.688 -4.985 84 HE22 GLN 12 HE21 GLN 12 34.620 1.031 -4.779 85 H TRP 13 H TRP 13 30.493 -1.368 -1.843 86 HA TRP 13 HA TRP 13 32.235 0.614 -0.957 87 HB2 TRP 13 HB2 TRP 13 29.891 0.478 -0.203 88 HB3 TRP 13 HB3 TRP 13 30.244 -1.041 0.654 89 HD1 TRP 13 HD1 TRP 13 31.134 2.719 0.836 90 HE1 TRP 13 HE1 TRP 13 31.615 3.269 3.304 91 HE3 TRP 13 HE3 TRP 13 30.817 -1.985 2.797 92 HZ2 TRP 13 HZ2 TRP 13 31.834 1.894 5.759 93 HZ3 TRP 13 HZ3 TRP 13 31.181 -2.290 5.212 94 HH2 TRP 13 HH2 TRP 13 31.677 -0.387 6.662 95 H LEU 14 H LEU 14 31.918 -2.771 0.112 96 HA LEU 14 HA LEU 14 33.949 -2.743 2.061 97 HB2 LEU 14 HB2 LEU 14 32.871 -4.817 0.287 98 HB3 LEU 14 HB3 LEU 14 34.008 -5.308 1.563 99 HG LEU 14 HG LEU 14 31.269 -4.053 2.012 100 HD11 LEU 14 HD11 LEU 14 30.629 -6.240 2.908 101 HD12 LEU 14 HD12 LEU 14 31.096 -6.342 1.194 102 HD13 LEU 14 HD13 LEU 14 32.225 -6.885 2.458 103 HD21 LEU 14 HD21 LEU 14 31.655 -4.548 4.383 104 HD22 LEU 14 HD22 LEU 14 33.291 -5.133 3.991 105 HD23 LEU 14 HD23 LEU 14 32.875 -3.420 3.747 106 H ALA 15 H ALA 15 34.006 -3.429 -1.408 107 HA ALA 15 HA ALA 15 36.647 -4.311 -1.645 108 HB1 ALA 15 HB1 ALA 15 36.442 -3.728 -4.030 109 HB2 ALA 15 HB2 ALA 15 34.941 -2.845 -3.667 110 HB3 ALA 15 HB3 ALA 15 35.018 -4.606 -3.422 111 H ASP 16 H ASP 16 35.338 -1.049 -1.466 112 HA ASP 16 HA ASP 16 37.908 0.148 -2.128 113 HB2 ASP 16 HB2 ASP 16 35.234 1.032 -2.461 114 HB3 ASP 16 HB3 ASP 16 35.924 1.851 -1.038 115 H DAL 17 H DAL 17 37.323 -1.439 0.458 116 HA DAL 17 HA DAL 17 38.825 0.297 2.190 117 HB1 DAL 17 HB1 DAL 17 38.824 -1.610 3.745 118 HB2 DAL 17 HB2 DAL 17 39.350 -2.072 2.110 119 HB3 DAL 17 HB3 DAL 17 37.706 -2.473 2.662 120 H GLY 18 H GLY 18 35.501 -0.219 1.648 121 HA2 GLY 18 HA2 GLY 18 33.602 0.517 2.707 122 HA3 GLY 18 HA3 GLY 18 34.397 0.014 4.218 123 H TRP 19 H TRP 19 35.102 1.534 5.601 124 HA TRP 19 HA TRP 19 34.254 4.215 5.262 125 HB2 TRP 19 HB2 TRP 19 35.976 2.847 7.348 126 HB3 TRP 19 HB3 TRP 19 35.610 4.587 7.414 127 HD1 TRP 19 HD1 TRP 19 34.304 1.318 8.503 128 HE1 TRP 19 HE1 TRP 19 31.917 1.574 9.432 129 HE3 TRP 19 HE3 TRP 19 33.275 6.038 6.822 130 HZ2 TRP 19 HZ2 TRP 19 29.871 3.516 9.451 131 HZ3 TRP 19 HZ3 TRP 19 31.078 7.019 7.339 132 HH2 TRP 19 HH2 TRP 19 29.413 5.783 8.625 133 H ALA 20 H ALA 20 37.245 2.579 4.554 134 HA ALA 20 HA ALA 20 38.704 5.084 4.225 135 HB1 ALA 20 HB1 ALA 20 40.641 3.647 3.728 136 HB2 ALA 20 HB2 ALA 20 39.592 2.215 3.853 137 HB3 ALA 20 HB3 ALA 20 39.880 3.234 5.283 138 H SER 21 H SER 21 36.498 4.838 2.509 139 HA SER 21 HA SER 21 37.629 4.127 -0.099 140 HB2 SER 21 HB2 SER 21 35.475 3.125 0.361 141 HB3 SER 21 HB3 SER 21 34.785 4.712 0.772 142 HG SER 21 HG SER 21 34.374 4.949 -1.279 Start of MODEL 29 1 H1 ARG 1 H1 ARG 1 32.546 7.353 0.514 2 H2 ARG 1 H2 ARG 1 32.367 8.432 1.541 3 H3 ARG 1 H3 ARG 1 32.684 7.031 1.972 4 HA ARG 1 HA ARG 1 30.062 8.101 1.683 5 HB2 ARG 1 HB2 ARG 1 29.038 6.566 0.124 6 HB3 ARG 1 HB3 ARG 1 30.340 7.496 -0.654 7 HG2 ARG 1 HG2 ARG 1 31.742 5.318 0.091 8 HG3 ARG 1 HG3 ARG 1 30.136 4.573 -0.094 9 HD2 ARG 1 HD2 ARG 1 31.368 6.324 -2.233 10 HD3 ARG 1 HD3 ARG 1 31.664 4.572 -2.152 11 HE ARG 1 HE ARG 1 29.396 4.194 -2.666 12 HH11 ARG 1 HH11 ARG 1 30.194 7.609 -2.675 13 HH12 ARG 1 HH12 ARG 1 28.767 8.058 -3.588 14 HH21 ARG 1 HH21 ARG 1 27.549 4.777 -3.854 15 HH22 ARG 1 HH22 ARG 1 27.277 6.462 -4.252 16 HA PRO 2 HA PRO 2 29.829 5.198 5.088 17 HB2 PRO 2 HB2 PRO 2 26.923 5.822 5.151 18 HB3 PRO 2 HB3 PRO 2 28.145 6.104 6.399 19 HG2 PRO 2 HG2 PRO 2 27.051 8.130 4.958 20 HG3 PRO 2 HG3 PRO 2 28.710 8.198 5.568 21 HD2 PRO 2 HD2 PRO 2 27.739 7.642 2.756 22 HD3 PRO 2 HD3 PRO 2 29.176 8.524 3.289 23 HA PRO 3 HA PRO 3 28.361 1.324 3.556 24 HB2 PRO 3 HB2 PRO 3 26.770 0.460 5.735 25 HB3 PRO 3 HB3 PRO 3 28.505 0.171 5.549 26 HG2 PRO 3 HG2 PRO 3 27.085 2.290 7.141 27 HG3 PRO 3 HG3 PRO 3 28.583 1.424 7.506 28 HD2 PRO 3 HD2 PRO 3 28.647 3.988 6.624 29 HD3 PRO 3 HD3 PRO 3 29.895 2.839 6.126 30 HA PRO 4 HA PRO 4 24.263 2.614 2.162 31 HB2 PRO 4 HB2 PRO 4 24.346 1.432 -0.279 32 HB3 PRO 4 HB3 PRO 4 25.258 2.910 0.057 33 HG2 PRO 4 HG2 PRO 4 26.228 0.045 -0.033 34 HG3 PRO 4 HG3 PRO 4 27.021 1.512 -0.624 35 HD2 PRO 4 HD2 PRO 4 27.617 0.281 1.820 36 HD3 PRO 4 HD3 PRO 4 27.962 1.978 1.460 37 H SER 5 H SER 5 22.331 1.648 2.406 38 HA SER 5 HA SER 5 22.025 -0.901 3.473 39 HB2 SER 5 HB2 SER 5 20.021 0.856 2.039 40 HB3 SER 5 HB3 SER 5 19.588 -0.631 2.913 41 HG SER 5 HG SER 5 19.366 1.265 4.221 42 H ASP 6 H ASP 6 21.205 0.141 0.143 43 HA ASP 6 HA ASP 6 20.339 -2.162 -0.972 44 HB2 ASP 6 HB2 ASP 6 20.693 0.069 -2.228 45 HB3 ASP 6 HB3 ASP 6 22.401 -0.434 -2.171 46 H AIB 7 H AIB 7 21.113 -4.102 -1.623 47 HB11 AIB 7 HB11 AIB 7 24.460 -6.079 -0.108 48 HB12 AIB 7 HB12 AIB 7 24.323 -4.340 0.242 49 HB13 AIB 7 HB13 AIB 7 23.049 -5.460 0.779 50 HB21 AIB 7 HB21 AIB 7 21.758 -6.677 -0.839 51 HB22 AIB 7 HB22 AIB 7 22.629 -6.921 -2.296 52 HB23 AIB 7 HB23 AIB 7 21.263 -5.885 -2.276 53 H ALA 8 H ALA 8 22.883 -4.021 -3.724 54 HA ALA 8 HA ALA 8 25.215 -5.062 -4.867 55 HB1 ALA 8 HB1 ALA 8 24.916 -3.371 -6.631 56 HB2 ALA 8 HB2 ALA 8 23.703 -2.553 -5.620 57 HB3 ALA 8 HB3 ALA 8 23.393 -4.197 -6.226 58 H ALA 9 H ALA 9 24.656 -1.779 -3.546 59 HA ALA 9 HA ALA 9 27.292 -0.917 -4.181 60 HB1 ALA 9 HB1 ALA 9 26.732 1.115 -2.916 61 HB2 ALA 9 HB2 ALA 9 25.240 0.332 -2.349 62 HB3 ALA 9 HB3 ALA 9 25.461 0.674 -4.081 63 H TYR 10 H TYR 10 25.846 -2.412 -1.364 64 HA TYR 10 HA TYR 10 27.738 -1.650 0.563 65 HB2 TYR 10 HB2 TYR 10 25.513 -2.734 0.975 66 HB3 TYR 10 HB3 TYR 10 26.262 -4.274 0.486 67 HD1 TYR 10 HD1 TYR 10 26.233 -1.625 3.077 68 HD2 TYR 10 HD2 TYR 10 27.789 -5.428 1.975 69 HE1 TYR 10 HE1 TYR 10 27.065 -1.943 5.366 70 HE2 TYR 10 HE2 TYR 10 28.630 -5.753 4.262 71 HH TYR 10 HH TYR 10 27.678 -4.432 6.778 72 H ALA 11 H ALA 11 27.800 -4.144 -1.904 73 HA ALA 11 HA ALA 11 29.976 -5.639 -0.845 74 HB1 ALA 11 HB1 ALA 11 30.081 -6.681 -3.073 75 HB2 ALA 11 HB2 ALA 11 28.927 -5.470 -3.678 76 HB3 ALA 11 HB3 ALA 11 28.421 -6.635 -2.433 77 H GLN 12 H GLN 12 29.778 -3.272 -3.524 78 HA GLN 12 HA GLN 12 32.532 -3.163 -4.058 79 HB2 GLN 12 HB2 GLN 12 30.446 -2.197 -5.317 80 HB3 GLN 12 HB3 GLN 12 30.812 -0.743 -4.359 81 HG2 GLN 12 HG2 GLN 12 32.167 -0.449 -6.559 82 HG3 GLN 12 HG3 GLN 12 33.019 -0.908 -5.066 83 HE21 GLN 12 HE22 GLN 12 34.697 -2.141 -5.650 84 HE22 GLN 12 HE21 GLN 12 34.625 -3.488 -6.738 85 H TRP 13 H TRP 13 30.529 -1.482 -1.716 86 HA TRP 13 HA TRP 13 32.291 0.518 -0.879 87 HB2 TRP 13 HB2 TRP 13 29.923 0.454 -0.176 88 HB3 TRP 13 HB3 TRP 13 30.233 -1.032 0.754 89 HD1 TRP 13 HD1 TRP 13 31.184 2.720 0.791 90 HE1 TRP 13 HE1 TRP 13 31.626 3.369 3.243 91 HE3 TRP 13 HE3 TRP 13 30.751 -1.891 2.944 92 HZ2 TRP 13 HZ2 TRP 13 31.767 2.098 5.759 93 HZ3 TRP 13 HZ3 TRP 13 31.057 -2.094 5.378 94 HH2 TRP 13 HH2 TRP 13 31.555 -0.138 6.756 95 H LEU 14 H LEU 14 31.867 -2.816 0.312 96 HA LEU 14 HA LEU 14 33.858 -2.762 2.300 97 HB2 LEU 14 HB2 LEU 14 32.776 -4.880 0.580 98 HB3 LEU 14 HB3 LEU 14 33.867 -5.343 1.906 99 HG LEU 14 HG LEU 14 31.146 -4.016 2.232 100 HD11 LEU 14 HD11 LEU 14 30.434 -6.164 3.173 101 HD12 LEU 14 HD12 LEU 14 30.947 -6.325 1.477 102 HD13 LEU 14 HD13 LEU 14 32.028 -6.853 2.788 103 HD21 LEU 14 HD21 LEU 14 31.449 -4.451 4.627 104 HD22 LEU 14 HD22 LEU 14 33.080 -5.088 4.303 105 HD23 LEU 14 HD23 LEU 14 32.717 -3.372 3.999 106 H ALA 15 H ALA 15 33.967 -3.631 -1.129 107 HA ALA 15 HA ALA 15 36.596 -4.567 -1.266 108 HB1 ALA 15 HB1 ALA 15 36.438 -4.129 -3.684 109 HB2 ALA 15 HB2 ALA 15 34.947 -3.202 -3.400 110 HB3 ALA 15 HB3 ALA 15 34.991 -4.945 -3.048 111 H ASP 16 H ASP 16 35.348 -1.274 -1.308 112 HA ASP 16 HA ASP 16 37.955 -0.180 -2.007 113 HB2 ASP 16 HB2 ASP 16 35.291 0.746 -2.414 114 HB3 ASP 16 HB3 ASP 16 36.030 1.663 -1.077 115 H DAL 17 H DAL 17 37.235 -1.553 0.689 116 HA DAL 17 HA DAL 17 38.792 0.244 2.308 117 HB1 DAL 17 HB1 DAL 17 38.669 -1.528 4.012 118 HB2 DAL 17 HB2 DAL 17 39.201 -2.145 2.431 119 HB3 DAL 17 HB3 DAL 17 37.530 -2.422 2.977 120 H GLY 18 H GLY 18 35.471 -0.060 1.704 121 HA2 GLY 18 HA2 GLY 18 33.597 0.841 2.678 122 HA3 GLY 18 HA3 GLY 18 34.329 0.398 4.237 123 H TRP 19 H TRP 19 35.197 1.950 5.501 124 HA TRP 19 HA TRP 19 34.486 4.650 5.008 125 HB2 TRP 19 HB2 TRP 19 36.283 3.419 7.132 126 HB3 TRP 19 HB3 TRP 19 35.766 5.122 7.121 127 HD1 TRP 19 HD1 TRP 19 34.832 1.898 8.541 128 HE1 TRP 19 HE1 TRP 19 32.425 1.954 9.449 129 HE3 TRP 19 HE3 TRP 19 33.223 6.211 6.316 130 HZ2 TRP 19 HZ2 TRP 19 30.147 3.606 9.249 131 HZ3 TRP 19 HZ3 TRP 19 30.915 6.959 6.726 132 HH2 TRP 19 HH2 TRP 19 29.410 5.682 8.162 133 H ALA 20 H ALA 20 37.416 2.812 4.473 134 HA ALA 20 HA ALA 20 38.965 5.213 3.883 135 HB1 ALA 20 HB1 ALA 20 40.853 3.663 3.571 136 HB2 ALA 20 HB2 ALA 20 39.753 2.291 3.839 137 HB3 ALA 20 HB3 ALA 20 40.065 3.451 5.152 138 H SER 21 H SER 21 36.782 4.897 2.172 139 HA SER 21 HA SER 21 37.860 3.789 -0.311 140 HB2 SER 21 HB2 SER 21 35.612 3.087 0.187 141 HB3 SER 21 HB3 SER 21 35.095 4.770 0.440 142 HG SER 21 HG SER 21 34.673 3.675 -1.711 Start of MODEL 30 1 H1 ARG 1 H1 ARG 1 32.927 7.551 1.964 2 H2 ARG 1 H2 ARG 1 32.499 8.557 2.990 3 H3 ARG 1 H3 ARG 1 32.732 7.131 3.391 4 HA ARG 1 HA ARG 1 30.227 8.215 2.582 5 HB2 ARG 1 HB2 ARG 1 29.627 6.689 0.751 6 HB3 ARG 1 HB3 ARG 1 30.936 7.818 0.331 7 HG2 ARG 1 HG2 ARG 1 32.417 5.727 1.161 8 HG3 ARG 1 HG3 ARG 1 30.974 4.847 0.604 9 HD2 ARG 1 HD2 ARG 1 32.500 6.873 -1.065 10 HD3 ARG 1 HD3 ARG 1 32.748 5.114 -1.149 11 HE ARG 1 HE ARG 1 30.604 4.891 -2.111 12 HH11 ARG 1 HH11 ARG 1 31.469 8.246 -1.568 13 HH12 ARG 1 HH12 ARG 1 30.278 8.856 -2.700 14 HH21 ARG 1 HH21 ARG 1 29.067 5.682 -3.585 15 HH22 ARG 1 HH22 ARG 1 28.925 7.411 -3.836 16 HA PRO 2 HA PRO 2 29.393 5.104 5.709 17 HB2 PRO 2 HB2 PRO 2 26.547 5.921 5.288 18 HB3 PRO 2 HB3 PRO 2 27.499 5.928 6.779 19 HG2 PRO 2 HG2 PRO 2 26.880 8.221 5.491 20 HG3 PRO 2 HG3 PRO 2 28.412 8.034 6.353 21 HD2 PRO 2 HD2 PRO 2 27.884 7.953 3.376 22 HD3 PRO 2 HD3 PRO 2 29.284 8.594 4.246 23 HA PRO 3 HA PRO 3 28.289 1.429 3.553 24 HB2 PRO 3 HB2 PRO 3 26.362 0.694 5.700 25 HB3 PRO 3 HB3 PRO 3 27.815 -0.161 5.166 26 HG2 PRO 3 HG2 PRO 3 27.568 1.375 7.504 27 HG3 PRO 3 HG3 PRO 3 29.084 0.808 6.790 28 HD2 PRO 3 HD2 PRO 3 28.107 3.535 6.970 29 HD3 PRO 3 HD3 PRO 3 29.647 2.972 6.308 30 HA PRO 4 HA PRO 4 24.413 2.743 1.685 31 HB2 PRO 4 HB2 PRO 4 24.644 1.349 -0.637 32 HB3 PRO 4 HB3 PRO 4 25.625 2.787 -0.322 33 HG2 PRO 4 HG2 PRO 4 26.378 -0.135 -0.055 34 HG3 PRO 4 HG3 PRO 4 27.322 1.204 -0.722 35 HD2 PRO 4 HD2 PRO 4 27.677 0.229 1.855 36 HD3 PRO 4 HD3 PRO 4 28.077 1.887 1.390 37 H SER 5 H SER 5 22.395 1.794 1.074 38 HA SER 5 HA SER 5 21.743 -0.541 2.605 39 HB2 SER 5 HB2 SER 5 20.179 1.326 2.483 40 HB3 SER 5 HB3 SER 5 20.053 1.126 0.720 41 HG SER 5 HG SER 5 18.311 0.111 1.855 42 H ASP 6 H ASP 6 21.452 0.223 -0.879 43 HA ASP 6 HA ASP 6 20.568 -2.146 -1.874 44 HB2 ASP 6 HB2 ASP 6 22.693 -0.328 -3.143 45 HB3 ASP 6 HB3 ASP 6 21.878 -1.756 -3.828 46 H AIB 7 H AIB 7 21.341 -4.143 -2.356 47 HB11 AIB 7 HB11 AIB 7 24.373 -6.191 -0.357 48 HB12 AIB 7 HB12 AIB 7 24.265 -4.438 -0.067 49 HB13 AIB 7 HB13 AIB 7 22.884 -5.491 0.321 50 HB21 AIB 7 HB21 AIB 7 21.898 -6.791 -1.368 51 HB22 AIB 7 HB22 AIB 7 22.760 -6.958 -2.841 52 HB23 AIB 7 HB23 AIB 7 21.398 -5.921 -2.757 53 H ALA 8 H ALA 8 23.331 -4.332 -4.243 54 HA ALA 8 HA ALA 8 25.811 -5.390 -4.986 55 HB1 ALA 8 HB1 ALA 8 25.724 -3.833 -6.892 56 HB2 ALA 8 HB2 ALA 8 24.375 -2.976 -6.109 57 HB3 ALA 8 HB3 ALA 8 24.172 -4.665 -6.632 58 H ALA 9 H ALA 9 24.997 -2.088 -3.895 59 HA ALA 9 HA ALA 9 27.607 -1.071 -4.317 60 HB1 ALA 9 HB1 ALA 9 26.834 0.911 -3.084 61 HB2 ALA 9 HB2 ALA 9 25.367 0.026 -2.609 62 HB3 ALA 9 HB3 ALA 9 25.668 0.394 -4.324 63 H TYR 10 H TYR 10 26.029 -2.553 -1.543 64 HA TYR 10 HA TYR 10 27.840 -1.793 0.454 65 HB2 TYR 10 HB2 TYR 10 25.663 -2.796 0.913 66 HB3 TYR 10 HB3 TYR 10 26.229 -4.334 0.216 67 HD1 TYR 10 HD1 TYR 10 26.916 -1.921 2.987 68 HD2 TYR 10 HD2 TYR 10 27.317 -5.918 1.596 69 HE1 TYR 10 HE1 TYR 10 27.770 -2.596 5.192 70 HE2 TYR 10 HE2 TYR 10 28.177 -6.605 3.796 71 HH TYR 10 HH TYR 10 28.702 -5.962 5.850 72 H ALA 11 H ALA 11 28.037 -4.279 -2.011 73 HA ALA 11 HA ALA 11 30.192 -5.737 -0.845 74 HB1 ALA 11 HB1 ALA 11 30.389 -6.814 -3.049 75 HB2 ALA 11 HB2 ALA 11 29.235 -5.634 -3.713 76 HB3 ALA 11 HB3 ALA 11 28.708 -6.788 -2.465 77 H GLN 12 H GLN 12 30.043 -3.419 -3.568 78 HA GLN 12 HA GLN 12 32.811 -3.268 -4.016 79 HB2 GLN 12 HB2 GLN 12 30.745 -2.358 -5.353 80 HB3 GLN 12 HB3 GLN 12 31.064 -0.883 -4.411 81 HG2 GLN 12 HG2 GLN 12 32.501 -0.565 -6.532 82 HG3 GLN 12 HG3 GLN 12 33.323 -1.104 -5.049 83 HE21 GLN 12 HE22 GLN 12 35.019 -2.246 -5.825 84 HE22 GLN 12 HE21 GLN 12 34.889 -3.602 -6.896 85 H TRP 13 H TRP 13 30.699 -1.595 -1.765 86 HA TRP 13 HA TRP 13 32.380 0.461 -0.907 87 HB2 TRP 13 HB2 TRP 13 30.006 0.356 -0.268 88 HB3 TRP 13 HB3 TRP 13 30.306 -1.131 0.664 89 HD1 TRP 13 HD1 TRP 13 31.253 2.623 0.749 90 HE1 TRP 13 HE1 TRP 13 31.574 3.267 3.221 91 HE3 TRP 13 HE3 TRP 13 30.660 -1.982 2.871 92 HZ2 TRP 13 HZ2 TRP 13 31.571 1.992 5.741 93 HZ3 TRP 13 HZ3 TRP 13 30.835 -2.191 5.318 94 HH2 TRP 13 HH2 TRP 13 31.282 -0.243 6.721 95 H LEU 14 H LEU 14 32.030 -2.873 0.312 96 HA LEU 14 HA LEU 14 33.967 -2.719 2.352 97 HB2 LEU 14 HB2 LEU 14 32.973 -4.899 0.658 98 HB3 LEU 14 HB3 LEU 14 34.043 -5.308 2.018 99 HG LEU 14 HG LEU 14 31.273 -4.066 2.230 100 HD11 LEU 14 HD11 LEU 14 30.637 -6.195 3.260 101 HD12 LEU 14 HD12 LEU 14 31.203 -6.415 1.588 102 HD13 LEU 14 HD13 LEU 14 32.272 -6.825 2.950 103 HD21 LEU 14 HD21 LEU 14 31.531 -4.362 4.652 104 HD22 LEU 14 HD22 LEU 14 33.198 -4.937 4.402 105 HD23 LEU 14 HD23 LEU 14 32.766 -3.258 4.000 106 H ALA 15 H ALA 15 34.186 -3.644 -1.056 107 HA ALA 15 HA ALA 15 36.809 -4.576 -1.116 108 HB1 ALA 15 HB1 ALA 15 36.735 -4.126 -3.536 109 HB2 ALA 15 HB2 ALA 15 35.242 -3.189 -3.298 110 HB3 ALA 15 HB3 ALA 15 35.262 -4.934 -2.949 111 H ASP 16 H ASP 16 35.604 -1.255 -1.290 112 HA ASP 16 HA ASP 16 38.246 -0.216 -1.887 113 HB2 ASP 16 HB2 ASP 16 35.575 0.789 -2.264 114 HB3 ASP 16 HB3 ASP 16 36.443 1.730 -1.026 115 H DAL 17 H DAL 17 36.928 -1.327 0.914 116 HA DAL 17 HA DAL 17 38.624 0.456 2.515 117 HB1 DAL 17 HB1 DAL 17 38.628 -1.347 4.189 118 HB2 DAL 17 HB2 DAL 17 39.226 -1.891 2.605 119 HB3 DAL 17 HB3 DAL 17 37.578 -2.314 3.127 120 H GLY 18 H GLY 18 35.419 0.223 1.759 121 HA2 GLY 18 HA2 GLY 18 33.450 0.867 2.757 122 HA3 GLY 18 HA3 GLY 18 34.179 0.432 4.321 123 H TRP 19 H TRP 19 35.060 2.012 5.603 124 HA TRP 19 HA TRP 19 34.113 4.650 5.210 125 HB2 TRP 19 HB2 TRP 19 36.064 3.477 7.219 126 HB3 TRP 19 HB3 TRP 19 35.566 5.185 7.241 127 HD1 TRP 19 HD1 TRP 19 34.691 1.994 8.740 128 HE1 TRP 19 HE1 TRP 19 32.327 2.057 9.755 129 HE3 TRP 19 HE3 TRP 19 32.962 6.268 6.521 130 HZ2 TRP 19 HZ2 TRP 19 30.032 3.697 9.631 131 HZ3 TRP 19 HZ3 TRP 19 30.672 7.013 7.022 132 HH2 TRP 19 HH2 TRP 19 29.239 5.753 8.544 133 H ALA 20 H ALA 20 37.120 3.064 4.430 134 HA ALA 20 HA ALA 20 38.366 5.612 3.693 135 HB1 ALA 20 HB1 ALA 20 40.423 4.293 3.385 136 HB2 ALA 20 HB2 ALA 20 39.522 2.816 3.796 137 HB3 ALA 20 HB3 ALA 20 39.740 4.093 5.016 138 H SER 21 H SER 21 36.103 4.584 2.200 139 HA SER 21 HA SER 21 37.222 3.592 -0.296 140 HB2 SER 21 HB2 SER 21 34.367 4.124 0.567 141 HB3 SER 21 HB3 SER 21 34.835 3.479 -1.023 142 HG SER 21 HG SER 21 36.021 2.040 0.917 Start of MODEL 31 1 H1 ARG 1 H1 ARG 1 33.028 7.670 1.616 2 H2 ARG 1 H2 ARG 1 32.694 8.675 2.677 3 H3 ARG 1 H3 ARG 1 33.019 7.261 3.059 4 HA ARG 1 HA ARG 1 30.401 8.256 2.550 5 HB2 ARG 1 HB2 ARG 1 29.609 6.864 0.768 6 HB3 ARG 1 HB3 ARG 1 31.019 7.797 0.215 7 HG2 ARG 1 HG2 ARG 1 32.159 5.454 1.134 8 HG3 ARG 1 HG3 ARG 1 30.632 4.887 0.415 9 HD2 ARG 1 HD2 ARG 1 32.468 6.781 -1.060 10 HD3 ARG 1 HD3 ARG 1 32.719 5.020 -1.104 11 HE ARG 1 HE ARG 1 30.674 4.791 -2.263 12 HH11 ARG 1 HH11 ARG 1 31.500 8.149 -1.684 13 HH12 ARG 1 HH12 ARG 1 30.423 8.748 -2.931 14 HH21 ARG 1 HH21 ARG 1 29.279 5.567 -3.877 15 HH22 ARG 1 HH22 ARG 1 29.171 7.293 -4.166 16 HA PRO 2 HA PRO 2 29.739 4.972 5.467 17 HB2 PRO 2 HB2 PRO 2 27.095 5.350 5.963 18 HB3 PRO 2 HB3 PRO 2 28.302 6.535 6.481 19 HG2 PRO 2 HG2 PRO 2 26.450 6.613 4.096 20 HG3 PRO 2 HG3 PRO 2 26.957 7.930 5.162 21 HD2 PRO 2 HD2 PRO 2 28.070 7.410 2.632 22 HD3 PRO 2 HD3 PRO 2 28.861 8.366 3.892 23 HA PRO 3 HA PRO 3 28.401 1.243 3.487 24 HB2 PRO 3 HB2 PRO 3 26.625 0.688 5.831 25 HB3 PRO 3 HB3 PRO 3 27.932 -0.299 5.163 26 HG2 PRO 3 HG2 PRO 3 28.160 1.160 7.478 27 HG3 PRO 3 HG3 PRO 3 29.539 0.721 6.461 28 HD2 PRO 3 HD2 PRO 3 28.291 3.385 6.862 29 HD3 PRO 3 HD3 PRO 3 29.887 2.988 6.213 30 HA PRO 4 HA PRO 4 24.421 2.702 1.930 31 HB2 PRO 4 HB2 PRO 4 24.482 1.407 -0.461 32 HB3 PRO 4 HB3 PRO 4 25.473 2.841 -0.158 33 HG2 PRO 4 HG2 PRO 4 26.268 -0.079 -0.089 34 HG3 PRO 4 HG3 PRO 4 27.153 1.304 -0.747 35 HD2 PRO 4 HD2 PRO 4 27.684 0.196 1.751 36 HD3 PRO 4 HD3 PRO 4 28.055 1.875 1.340 37 H SER 5 H SER 5 22.359 1.845 1.723 38 HA SER 5 HA SER 5 21.806 -0.590 3.042 39 HB2 SER 5 HB2 SER 5 20.055 1.194 1.337 40 HB3 SER 5 HB3 SER 5 19.449 -0.205 2.253 41 HG SER 5 HG SER 5 19.246 1.780 3.426 42 H ASP 6 H ASP 6 21.530 0.301 -0.406 43 HA ASP 6 HA ASP 6 20.483 -2.026 -1.417 44 HB2 ASP 6 HB2 ASP 6 22.550 -0.186 -2.751 45 HB3 ASP 6 HB3 ASP 6 21.688 -1.586 -3.434 46 H AIB 7 H AIB 7 21.208 -4.014 -2.018 47 HB11 AIB 7 HB11 AIB 7 24.326 -6.151 -0.255 48 HB12 AIB 7 HB12 AIB 7 24.251 -4.408 0.094 49 HB13 AIB 7 HB13 AIB 7 22.883 -5.462 0.524 50 HB21 AIB 7 HB21 AIB 7 21.746 -6.663 -1.147 51 HB22 AIB 7 HB22 AIB 7 22.593 -6.860 -2.624 52 HB23 AIB 7 HB23 AIB 7 21.256 -5.791 -2.539 53 H ALA 8 H ALA 8 23.088 -4.117 -4.006 54 HA ALA 8 HA ALA 8 25.478 -5.226 -4.953 55 HB1 ALA 8 HB1 ALA 8 25.320 -3.589 -6.786 56 HB2 ALA 8 HB2 ALA 8 24.054 -2.723 -5.884 57 HB3 ALA 8 HB3 ALA 8 23.761 -4.382 -6.458 58 H ALA 9 H ALA 9 24.856 -1.907 -3.767 59 HA ALA 9 HA ALA 9 27.498 -1.020 -4.275 60 HB1 ALA 9 HB1 ALA 9 26.871 0.990 -3.006 61 HB2 ALA 9 HB2 ALA 9 25.377 0.178 -2.487 62 HB3 ALA 9 HB3 ALA 9 25.638 0.542 -4.209 63 H TYR 10 H TYR 10 25.959 -2.502 -1.496 64 HA TYR 10 HA TYR 10 27.785 -1.788 0.499 65 HB2 TYR 10 HB2 TYR 10 25.616 -2.800 0.957 66 HB3 TYR 10 HB3 TYR 10 26.166 -4.319 0.208 67 HD1 TYR 10 HD1 TYR 10 26.874 -2.000 3.048 68 HD2 TYR 10 HD2 TYR 10 27.263 -5.950 1.526 69 HE1 TYR 10 HE1 TYR 10 27.738 -2.748 5.227 70 HE2 TYR 10 HE2 TYR 10 28.134 -6.709 3.695 71 HH TYR 10 HH TYR 10 28.669 -6.135 5.770 72 H ALA 11 H ALA 11 27.966 -4.230 -2.011 73 HA ALA 11 HA ALA 11 30.119 -5.719 -0.883 74 HB1 ALA 11 HB1 ALA 11 30.296 -6.760 -3.108 75 HB2 ALA 11 HB2 ALA 11 29.146 -5.563 -3.745 76 HB3 ALA 11 HB3 ALA 11 28.619 -6.734 -2.513 77 H GLN 12 H GLN 12 29.965 -3.343 -3.556 78 HA GLN 12 HA GLN 12 32.733 -3.203 -4.018 79 HB2 GLN 12 HB2 GLN 12 30.659 -2.256 -5.325 80 HB3 GLN 12 HB3 GLN 12 31.003 -0.798 -4.366 81 HG2 GLN 12 HG2 GLN 12 32.457 -0.420 -6.439 82 HG3 GLN 12 HG3 GLN 12 33.282 -1.127 -5.030 83 HE21 GLN 12 HE22 GLN 12 34.818 -2.438 -5.808 84 HE22 GLN 12 HE21 GLN 12 34.584 -3.648 -7.026 85 H TRP 13 H TRP 13 30.640 -1.546 -1.732 86 HA TRP 13 HA TRP 13 32.344 0.482 -0.847 87 HB2 TRP 13 HB2 TRP 13 29.955 0.352 -0.208 88 HB3 TRP 13 HB3 TRP 13 30.286 -1.116 0.743 89 HD1 TRP 13 HD1 TRP 13 30.965 2.679 0.793 90 HE1 TRP 13 HE1 TRP 13 31.385 3.351 3.242 91 HE3 TRP 13 HE3 TRP 13 30.986 -1.960 2.915 92 HZ2 TRP 13 HZ2 TRP 13 31.686 2.083 5.746 93 HZ3 TRP 13 HZ3 TRP 13 31.351 -2.155 5.341 94 HH2 TRP 13 HH2 TRP 13 31.695 -0.170 6.726 95 H LEU 14 H LEU 14 32.000 -2.886 0.270 96 HA LEU 14 HA LEU 14 33.945 -2.794 2.313 97 HB2 LEU 14 HB2 LEU 14 32.950 -4.920 0.550 98 HB3 LEU 14 HB3 LEU 14 34.041 -5.371 1.881 99 HG LEU 14 HG LEU 14 31.278 -4.126 2.195 100 HD11 LEU 14 HD11 LEU 14 30.622 -6.303 3.106 101 HD12 LEU 14 HD12 LEU 14 31.157 -6.434 1.415 102 HD13 LEU 14 HD13 LEU 14 32.240 -6.942 2.733 103 HD21 LEU 14 HD21 LEU 14 31.572 -4.580 4.589 104 HD22 LEU 14 HD22 LEU 14 33.224 -5.167 4.273 105 HD23 LEU 14 HD23 LEU 14 32.815 -3.458 3.986 106 H ALA 15 H ALA 15 34.130 -3.708 -1.109 107 HA ALA 15 HA ALA 15 36.824 -4.473 -1.190 108 HB1 ALA 15 HB1 ALA 15 36.657 -4.134 -3.624 109 HB2 ALA 15 HB2 ALA 15 35.103 -3.304 -3.385 110 HB3 ALA 15 HB3 ALA 15 35.263 -5.027 -2.971 111 H ASP 16 H ASP 16 35.349 -1.314 -1.170 112 HA ASP 16 HA ASP 16 37.806 0.012 -1.999 113 HB2 ASP 16 HB2 ASP 16 34.954 0.964 -1.513 114 HB3 ASP 16 HB3 ASP 16 36.392 2.006 -1.383 115 H DAL 17 H DAL 17 37.359 -1.465 0.698 116 HA DAL 17 HA DAL 17 38.856 0.403 2.279 117 HB1 DAL 17 HB1 DAL 17 38.903 -1.390 3.965 118 HB2 DAL 17 HB2 DAL 17 39.395 -1.965 2.356 119 HB3 DAL 17 HB3 DAL 17 37.767 -2.333 2.972 120 H GLY 18 H GLY 18 35.508 -0.382 1.956 121 HA2 GLY 18 HA2 GLY 18 33.620 0.394 3.007 122 HA3 GLY 18 HA3 GLY 18 34.524 0.164 4.522 123 H TRP 19 H TRP 19 35.164 1.907 5.641 124 HA TRP 19 HA TRP 19 34.130 4.456 4.965 125 HB2 TRP 19 HB2 TRP 19 35.996 3.495 7.149 126 HB3 TRP 19 HB3 TRP 19 35.549 5.209 6.979 127 HD1 TRP 19 HD1 TRP 19 34.396 2.039 8.511 128 HE1 TRP 19 HE1 TRP 19 32.037 2.336 9.493 129 HE3 TRP 19 HE3 TRP 19 33.183 6.511 6.357 130 HZ2 TRP 19 HZ2 TRP 19 29.937 4.222 9.370 131 HZ3 TRP 19 HZ3 TRP 19 30.982 7.495 6.840 132 HH2 TRP 19 HH2 TRP 19 29.392 6.372 8.316 133 H ALA 20 H ALA 20 37.245 2.939 4.479 134 HA ALA 20 HA ALA 20 38.752 5.278 3.960 135 HB1 ALA 20 HB1 ALA 20 40.380 3.768 2.899 136 HB2 ALA 20 HB2 ALA 20 39.191 2.448 2.989 137 HB3 ALA 20 HB3 ALA 20 39.837 3.166 4.483 138 H SER 21 H SER 21 36.329 3.683 2.124 139 HA SER 21 HA SER 21 37.158 4.202 -0.499 140 HB2 SER 21 HB2 SER 21 35.217 2.753 0.194 141 HB3 SER 21 HB3 SER 21 34.294 4.247 0.476 142 HG SER 21 HG SER 21 34.589 4.764 -1.734 Start of MODEL 32 1 H1 ARG 1 H1 ARG 1 32.464 7.814 1.491 2 H2 ARG 1 H2 ARG 1 32.119 8.736 2.624 3 H3 ARG 1 H3 ARG 1 32.527 7.320 2.906 4 HA ARG 1 HA ARG 1 29.849 8.208 2.542 5 HB2 ARG 1 HB2 ARG 1 29.141 6.601 0.761 6 HB3 ARG 1 HB3 ARG 1 30.119 7.984 0.216 7 HG2 ARG 1 HG2 ARG 1 32.033 6.639 -0.130 8 HG3 ARG 1 HG3 ARG 1 31.359 5.293 0.821 9 HD2 ARG 1 HD2 ARG 1 29.806 4.730 -0.887 10 HD3 ARG 1 HD3 ARG 1 30.084 6.262 -1.749 11 HE ARG 1 HE ARG 1 31.658 3.855 -1.912 12 HH11 ARG 1 HH11 ARG 1 31.670 7.329 -2.357 13 HH12 ARG 1 HH12 ARG 1 32.997 7.298 -3.502 14 HH21 ARG 1 HH21 ARG 1 33.382 3.810 -3.401 15 HH22 ARG 1 HH22 ARG 1 33.962 5.313 -4.091 16 HA PRO 2 HA PRO 2 29.768 4.888 5.572 17 HB2 PRO 2 HB2 PRO 2 26.858 5.478 5.746 18 HB3 PRO 2 HB3 PRO 2 28.090 5.579 7.011 19 HG2 PRO 2 HG2 PRO 2 26.989 7.793 5.895 20 HG3 PRO 2 HG3 PRO 2 28.660 7.771 6.475 21 HD2 PRO 2 HD2 PRO 2 27.630 7.613 3.631 22 HD3 PRO 2 HD3 PRO 2 29.073 8.423 4.254 23 HA PRO 3 HA PRO 3 28.453 1.190 3.552 24 HB2 PRO 3 HB2 PRO 3 26.802 0.545 5.973 25 HB3 PRO 3 HB3 PRO 3 28.064 -0.419 5.194 26 HG2 PRO 3 HG2 PRO 3 28.443 0.979 7.528 27 HG3 PRO 3 HG3 PRO 3 29.752 0.572 6.410 28 HD2 PRO 3 HD2 PRO 3 28.559 3.219 6.984 29 HD3 PRO 3 HD3 PRO 3 30.080 2.838 6.167 30 HA PRO 4 HA PRO 4 24.382 2.595 2.194 31 HB2 PRO 4 HB2 PRO 4 24.437 1.446 -0.272 32 HB3 PRO 4 HB3 PRO 4 25.375 2.900 0.096 33 HG2 PRO 4 HG2 PRO 4 26.289 0.019 -0.039 34 HG3 PRO 4 HG3 PRO 4 27.107 1.479 -0.613 35 HD2 PRO 4 HD2 PRO 4 27.708 0.215 1.800 36 HD3 PRO 4 HD3 PRO 4 28.042 1.922 1.483 37 H SER 5 H SER 5 22.384 1.700 2.302 38 HA SER 5 HA SER 5 21.961 -0.795 3.454 39 HB2 SER 5 HB2 SER 5 20.067 0.957 1.870 40 HB3 SER 5 HB3 SER 5 19.557 -0.475 2.793 41 HG SER 5 HG SER 5 19.352 1.483 4.007 42 H ASP 6 H ASP 6 21.369 0.136 0.051 43 HA ASP 6 HA ASP 6 20.346 -2.216 -0.911 44 HB2 ASP 6 HB2 ASP 6 22.196 -0.262 -2.397 45 HB3 ASP 6 HB3 ASP 6 21.343 -1.694 -3.025 46 H AIB 7 H AIB 7 21.209 -4.042 -2.011 47 HB11 AIB 7 HB11 AIB 7 24.401 -6.170 -0.290 48 HB12 AIB 7 HB12 AIB 7 24.284 -4.440 0.112 49 HB13 AIB 7 HB13 AIB 7 22.964 -5.549 0.553 50 HB21 AIB 7 HB21 AIB 7 21.777 -6.712 -1.113 51 HB22 AIB 7 HB22 AIB 7 22.640 -6.895 -2.584 52 HB23 AIB 7 HB23 AIB 7 21.279 -5.855 -2.511 53 H ALA 8 H ALA 8 22.973 -4.027 -3.919 54 HA ALA 8 HA ALA 8 25.317 -5.117 -5.008 55 HB1 ALA 8 HB1 ALA 8 25.035 -3.477 -6.821 56 HB2 ALA 8 HB2 ALA 8 23.806 -2.636 -5.848 57 HB3 ALA 8 HB3 ALA 8 23.511 -4.299 -6.410 58 H ALA 9 H ALA 9 24.742 -1.774 -3.843 59 HA ALA 9 HA ALA 9 27.386 -0.928 -4.388 60 HB1 ALA 9 HB1 ALA 9 26.813 1.096 -3.117 61 HB2 ALA 9 HB2 ALA 9 25.310 0.312 -2.579 62 HB3 ALA 9 HB3 ALA 9 25.561 0.664 -4.305 63 H TYR 10 H TYR 10 25.912 -2.422 -1.578 64 HA TYR 10 HA TYR 10 27.774 -1.700 0.382 65 HB2 TYR 10 HB2 TYR 10 25.636 -2.754 0.886 66 HB3 TYR 10 HB3 TYR 10 26.192 -4.256 0.108 67 HD1 TYR 10 HD1 TYR 10 26.911 -1.962 2.969 68 HD2 TYR 10 HD2 TYR 10 27.361 -5.878 1.371 69 HE1 TYR 10 HE1 TYR 10 27.848 -2.725 5.110 70 HE2 TYR 10 HE2 TYR 10 28.304 -6.649 3.505 71 HH TYR 10 HH TYR 10 28.683 -4.431 6.256 72 H ALA 11 H ALA 11 27.912 -4.152 -2.132 73 HA ALA 11 HA ALA 11 30.144 -5.586 -1.112 74 HB1 ALA 11 HB1 ALA 11 30.289 -6.570 -3.363 75 HB2 ALA 11 HB2 ALA 11 29.091 -5.389 -3.942 76 HB3 ALA 11 HB3 ALA 11 28.628 -6.602 -2.726 77 H GLN 12 H GLN 12 29.856 -3.156 -3.727 78 HA GLN 12 HA GLN 12 32.602 -2.934 -4.268 79 HB2 GLN 12 HB2 GLN 12 30.479 -2.004 -5.491 80 HB3 GLN 12 HB3 GLN 12 30.795 -0.569 -4.489 81 HG2 GLN 12 HG2 GLN 12 32.123 -0.171 -6.694 82 HG3 GLN 12 HG3 GLN 12 32.994 -0.609 -5.205 83 HE21 GLN 12 HE22 GLN 12 34.800 -1.510 -6.107 84 HE22 GLN 12 HE21 GLN 12 34.778 -2.930 -7.099 85 H TRP 13 H TRP 13 30.548 -1.381 -1.875 86 HA TRP 13 HA TRP 13 32.228 0.654 -0.983 87 HB2 TRP 13 HB2 TRP 13 29.888 0.451 -0.227 88 HB3 TRP 13 HB3 TRP 13 30.284 -1.059 0.627 89 HD1 TRP 13 HD1 TRP 13 30.974 2.734 0.827 90 HE1 TRP 13 HE1 TRP 13 31.506 3.295 3.283 91 HE3 TRP 13 HE3 TRP 13 31.034 -1.995 2.742 92 HZ2 TRP 13 HZ2 TRP 13 31.893 1.912 5.715 93 HZ3 TRP 13 HZ3 TRP 13 31.499 -2.298 5.141 94 HH2 TRP 13 HH2 TRP 13 31.921 -0.382 6.594 95 H LEU 14 H LEU 14 32.042 -2.758 0.013 96 HA LEU 14 HA LEU 14 34.067 -2.683 1.977 97 HB2 LEU 14 HB2 LEU 14 33.045 -4.765 0.181 98 HB3 LEU 14 HB3 LEU 14 34.213 -5.238 1.436 99 HG LEU 14 HG LEU 14 31.434 -4.090 1.929 100 HD11 LEU 14 HD11 LEU 14 30.896 -6.315 2.802 101 HD12 LEU 14 HD12 LEU 14 31.351 -6.375 1.083 102 HD13 LEU 14 HD13 LEU 14 32.514 -6.886 2.330 103 HD21 LEU 14 HD21 LEU 14 31.868 -4.600 4.293 104 HD22 LEU 14 HD22 LEU 14 33.520 -5.118 3.876 105 HD23 LEU 14 HD23 LEU 14 33.039 -3.418 3.660 106 H ALA 15 H ALA 15 34.134 -3.355 -1.497 107 HA ALA 15 HA ALA 15 36.788 -4.157 -1.768 108 HB1 ALA 15 HB1 ALA 15 36.563 -3.524 -4.136 109 HB2 ALA 15 HB2 ALA 15 35.049 -2.675 -3.748 110 HB3 ALA 15 HB3 ALA 15 35.157 -4.439 -3.544 111 H ASP 16 H ASP 16 35.432 -0.921 -1.486 112 HA ASP 16 HA ASP 16 37.974 0.329 -2.154 113 HB2 ASP 16 HB2 ASP 16 35.289 1.189 -2.428 114 HB3 ASP 16 HB3 ASP 16 35.976 1.967 -0.980 115 H DAL 17 H DAL 17 37.406 -1.329 0.411 116 HA DAL 17 HA DAL 17 38.915 0.398 2.164 117 HB1 DAL 17 HB1 DAL 17 39.020 -1.560 3.650 118 HB2 DAL 17 HB2 DAL 17 39.533 -1.944 1.991 119 HB3 DAL 17 HB3 DAL 17 37.918 -2.430 2.558 120 H GLY 18 H GLY 18 35.604 -0.240 1.664 121 HA2 GLY 18 HA2 GLY 18 33.698 0.379 2.785 122 HA3 GLY 18 HA3 GLY 18 34.545 -0.140 4.261 123 H TRP 19 H TRP 19 35.182 1.360 5.689 124 HA TRP 19 HA TRP 19 34.227 4.012 5.455 125 HB2 TRP 19 HB2 TRP 19 36.071 2.677 7.464 126 HB3 TRP 19 HB3 TRP 19 35.563 4.377 7.603 127 HD1 TRP 19 HD1 TRP 19 34.567 0.992 8.626 128 HE1 TRP 19 HE1 TRP 19 32.174 1.003 9.573 129 HE3 TRP 19 HE3 TRP 19 33.085 5.619 7.033 130 HZ2 TRP 19 HZ2 TRP 19 29.951 2.744 9.637 131 HZ3 TRP 19 HZ3 TRP 19 30.811 6.381 7.578 132 HH2 TRP 19 HH2 TRP 19 29.277 4.972 8.853 133 H ALA 20 H ALA 20 37.317 2.533 4.742 134 HA ALA 20 HA ALA 20 38.620 5.123 4.413 135 HB1 ALA 20 HB1 ALA 20 40.648 3.807 3.941 136 HB2 ALA 20 HB2 ALA 20 39.689 2.314 4.061 137 HB3 ALA 20 HB3 ALA 20 39.900 3.352 5.490 138 H SER 21 H SER 21 36.455 4.762 2.685 139 HA SER 21 HA SER 21 37.593 4.035 0.093 140 HB2 SER 21 HB2 SER 21 35.430 3.074 0.530 141 HB3 SER 21 HB3 SER 21 34.762 4.662 0.968 142 HG SER 21 HG SER 21 34.362 3.809 -1.264
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