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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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649981 |
6s2d ![]() ![]() |
34416 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 61.083 -0.427 1.242 2 H2 GLY 1 HT2 GLY 1 61.592 -0.908 -0.306 3 H3 GLY 1 HT3 GLY 1 61.537 -2.036 0.964 4 HA2 GLY 1 HA1 GLY 1 59.581 -1.411 -0.879 5 HA3 GLY 1 HA2 GLY 1 59.508 -2.563 0.468 6 H LYS 2 HN LYS 2 59.172 -1.512 2.683 7 HA LYS 2 HA LYS 2 56.690 -0.026 2.546 8 HB2 LYS 2 HB2 LYS 2 58.543 -0.532 4.915 9 HB3 LYS 2 HB1 LYS 2 56.855 0.024 5.004 10 HG2 LYS 2 HG2 LYS 2 56.023 -2.043 4.106 11 HG3 LYS 2 HG1 LYS 2 57.650 -2.565 3.613 12 HD2 LYS 2 HD2 LYS 2 56.893 -3.719 5.688 13 HD3 LYS 2 HD1 LYS 2 58.347 -2.732 5.965 14 HE2 LYS 2 HE2 LYS 2 56.421 -2.553 7.701 15 HE3 LYS 2 HE1 LYS 2 57.125 -1.037 7.095 16 HZ1 LYS 2 HZ1 LYS 2 54.760 -2.291 5.818 17 HZ2 LYS 2 HZ2 LYS 2 55.312 -0.691 5.679 18 HZ3 LYS 2 HZ3 LYS 2 54.605 -1.225 7.128 19 H GLY 3 HN GLY 3 57.977 1.487 5.093 20 HA2 GLY 3 HA1 GLY 3 58.212 3.895 5.348 21 HA3 GLY 3 HA2 GLY 3 59.683 3.552 4.285 22 H ARG 4 HN ARG 4 56.640 3.655 4.912 23 HA ARG 4 HA ARG 4 56.248 5.783 4.667 24 HB2 ARG 4 HB2 ARG 4 56.204 5.112 1.770 25 HB3 ARG 4 HB1 ARG 4 54.818 6.110 2.265 26 HG2 ARG 4 HG2 ARG 4 56.102 7.993 2.695 27 HG3 ARG 4 HG1 ARG 4 57.514 7.075 3.235 28 HD2 ARG 4 HD2 ARG 4 57.861 8.285 1.053 29 HD3 ARG 4 HD1 ARG 4 58.104 6.528 0.926 30 HE ARG 4 HE ARG 4 56.194 6.418 -0.472 31 HH11 ARG 4 HH11 ARG 4 56.944 9.297 -1.167 32 HH12 ARG 4 HH12 ARG 4 55.410 10.085 -1.012 33 HH21 ARG 4 HH21 ARG 4 53.954 7.482 0.757 34 HH22 ARG 4 HH22 ARG 4 53.717 9.058 0.078 35 H TRP 5 HN TRP 5 55.269 2.778 4.292 36 HA TRP 5 HA TRP 5 52.554 2.547 3.809 37 HB2 TRP 5 HB2 TRP 5 54.013 0.686 4.560 38 HB3 TRP 5 HB1 TRP 5 54.033 1.391 6.195 39 HD1 TRP 5 HD1 TRP 5 51.140 0.659 3.695 40 HE1 TRP 5 HE1 TRP 5 49.253 -0.613 4.950 41 HE3 TRP 5 HE3 TRP 5 53.337 0.296 8.306 42 HZ2 TRP 5 HZ2 TRP 5 48.790 -1.637 7.600 43 HZ3 TRP 5 HZ3 TRP 5 52.153 -0.833 10.183 44 HH2 TRP 5 HH2 TRP 5 49.884 -1.800 9.834 45 H LEU 6 HN LEU 6 54.132 4.366 6.279 46 HA LEU 6 HA LEU 6 51.603 4.789 7.823 47 HB2 LEU 6 HB2 LEU 6 54.382 5.841 8.452 48 HB3 LEU 6 HB1 LEU 6 52.991 5.673 9.550 49 HG LEU 6 HG LEU 6 54.539 3.396 8.233 50 HD11 LEU 6 HD11 LEU 6 54.280 4.237 11.156 51 HD12 LEU 6 HD12 LEU 6 55.692 4.565 10.123 52 HD13 LEU 6 HD13 LEU 6 55.254 2.888 10.526 53 HD21 LEU 6 HD21 LEU 6 52.022 3.477 9.948 54 HD22 LEU 6 HD22 LEU 6 53.066 2.035 9.899 55 HD23 LEU 6 HD23 LEU 6 52.292 2.621 8.410 56 H GLU 7 HN GLU 7 53.773 6.335 5.483 57 HA GLU 7 HA GLU 7 53.036 9.051 6.162 58 HB2 GLU 7 HB2 GLU 7 54.988 8.434 4.736 59 HB3 GLU 7 HB1 GLU 7 53.861 7.926 3.456 60 HG2 GLU 7 HG2 GLU 7 53.005 10.160 3.194 61 HG3 GLU 7 HG1 GLU 7 53.815 10.718 4.677 62 H ARG 8 HN ARG 8 51.308 6.457 4.755 63 HA ARG 8 HA ARG 8 49.577 7.893 2.974 64 HB2 ARG 8 HB2 ARG 8 48.786 5.471 4.633 65 HB3 ARG 8 HB1 ARG 8 48.174 5.957 3.035 66 HG2 ARG 8 HG2 ARG 8 51.015 5.039 3.672 67 HG3 ARG 8 HG1 ARG 8 49.778 4.104 2.803 68 HD2 ARG 8 HD2 ARG 8 49.699 6.117 1.151 69 HD3 ARG 8 HD1 ARG 8 51.241 6.604 1.898 70 HE ARG 8 HE ARG 8 51.551 3.895 1.232 71 HH11 ARG 8 HH11 ARG 8 53.485 5.576 0.028 72 HH12 ARG 8 HH12 ARG 8 53.027 5.680 -1.639 73 HH21 ARG 8 HH21 ARG 8 49.786 4.575 -1.092 74 HH22 ARG 8 HH22 ARG 8 50.933 5.113 -2.273 75 H ILE 9 HN ILE 9 48.858 9.824 3.837 76 HA ILE 9 HA ILE 9 47.821 10.164 6.461 77 HB ILE 9 HB ILE 9 48.390 12.034 4.882 78 HG12 ILE 9 HG12 ILE 9 45.516 12.089 5.919 79 HG13 ILE 9 HG11 ILE 9 46.960 12.350 6.924 80 HG21 ILE 9 HG21 ILE 9 47.185 10.893 2.916 81 HG22 ILE 9 HG22 ILE 9 46.915 12.642 3.093 82 HG23 ILE 9 HG23 ILE 9 45.668 11.490 3.629 83 HD11 ILE 9 HD1 ILE 9 47.575 14.226 5.241 84 HD12 ILE 9 HD2 ILE 9 46.222 14.539 6.353 85 HD13 ILE 9 HD3 ILE 9 45.896 14.082 4.665 86 H GLY 10 HN GLY 10 46.274 9.114 3.436 87 HA2 GLY 10 HA1 GLY 10 44.328 7.866 3.177 88 HA3 GLY 10 HA2 GLY 10 44.148 7.805 4.942 89 H LYS 11 HN LYS 11 44.070 10.522 5.561 90 HA LYS 11 HA LYS 11 41.327 11.148 4.644 91 HB2 LYS 11 HB2 LYS 11 42.103 11.328 7.054 92 HB3 LYS 11 HB1 LYS 11 43.104 12.712 6.554 93 HG2 LYS 11 HG2 LYS 11 41.068 13.854 5.688 94 HG3 LYS 11 HG1 LYS 11 40.077 12.482 6.242 95 HD2 LYS 11 HD2 LYS 11 40.997 12.880 8.577 96 HD3 LYS 11 HD1 LYS 11 41.733 14.379 7.958 97 HE2 LYS 11 HE2 LYS 11 39.605 14.989 8.922 98 HE3 LYS 11 HE1 LYS 11 39.413 15.062 7.154 99 HZ1 LYS 11 HZ1 LYS 11 37.602 13.824 7.710 100 HZ2 LYS 11 HZ2 LYS 11 38.331 13.126 9.076 101 HZ3 LYS 11 HZ3 LYS 11 38.723 12.566 7.521 102 H ALA 12 HN ALA 12 42.021 11.523 2.384 103 HA ALA 12 HA ALA 12 43.716 13.840 1.831 104 HB1 ALA 12 HB1 ALA 12 43.213 13.406 -0.468 105 HB2 ALA 12 HB2 ALA 12 41.770 12.455 -0.041 106 HB3 ALA 12 HB3 ALA 12 43.394 11.825 0.326 107 H GLY 13 HN GLY 13 41.577 14.414 3.651 108 HA2 GLY 13 HA1 GLY 13 40.091 16.156 3.996 109 HA3 GLY 13 HA2 GLY 13 40.560 16.804 2.411 110 H PHE 14 HN PHE 14 38.794 13.956 3.714 111 HA PHE 14 HA PHE 14 36.798 12.998 3.032 112 HB2 PHE 14 HB2 PHE 14 35.968 15.277 3.728 113 HB3 PHE 14 HB1 PHE 14 36.094 15.783 2.026 114 HD1 PHE 14 HD1 PHE 14 34.280 15.371 0.550 115 HD2 PHE 14 HD2 PHE 14 34.599 13.099 4.208 116 HE1 PHE 14 HE1 PHE 14 32.064 14.326 0.095 117 HE2 PHE 14 HE2 PHE 14 32.382 12.056 3.751 118 HZ PHE 14 HZ PHE 14 31.090 12.716 1.727 119 H ILE 15 HN ILE 15 39.035 12.904 1.243 120 HA ILE 15 HA ILE 15 39.511 12.311 -0.928 121 HB ILE 15 HB ILE 15 36.511 11.970 -1.323 122 HG12 ILE 15 HG12 ILE 15 37.035 10.794 0.713 123 HG13 ILE 15 HG11 ILE 15 36.929 9.571 -0.568 124 HG21 ILE 15 HG21 ILE 15 38.993 10.965 -2.752 125 HG22 ILE 15 HG22 ILE 15 37.497 11.642 -3.422 126 HG23 ILE 15 HG23 ILE 15 37.508 9.988 -2.780 127 HD11 ILE 15 HD1 ILE 15 39.507 9.854 -0.784 128 HD12 ILE 15 HD2 ILE 15 38.891 8.997 0.644 129 HD13 ILE 15 HD3 ILE 15 39.410 10.692 0.781 130 H ILE 16 HN ILE 16 39.956 14.694 -0.885 131 HA ILE 16 HA ILE 16 38.501 15.951 -3.197 132 HB ILE 16 HB ILE 16 39.463 17.306 -0.645 133 HG12 ILE 16 HG12 ILE 16 37.208 15.984 -0.643 134 HG13 ILE 16 HG11 ILE 16 37.205 17.646 -0.031 135 HG21 ILE 16 HG21 ILE 16 38.305 18.426 -3.234 136 HG22 ILE 16 HG22 ILE 16 39.873 18.805 -2.489 137 HG23 ILE 16 HG23 ILE 16 38.371 19.357 -1.719 138 HD11 ILE 16 HD1 ILE 16 36.205 18.488 -2.054 139 HD12 ILE 16 HD2 ILE 16 35.281 17.040 -1.598 140 HD13 ILE 16 HD3 ILE 16 36.471 16.955 -2.911 141 H ILE 17 HN ILE 17 41.389 16.117 -1.046 142 HA ILE 17 HA ILE 17 43.018 17.433 -3.042 143 HB ILE 17 HB ILE 17 44.016 15.610 -0.807 144 HG12 ILE 17 HG12 ILE 17 42.543 17.103 0.325 145 HG13 ILE 17 HG11 ILE 17 44.151 17.824 0.524 146 HG21 ILE 17 HG21 ILE 17 45.817 16.207 -2.230 147 HG22 ILE 17 HG22 ILE 17 45.926 17.359 -0.883 148 HG23 ILE 17 HG23 ILE 17 45.235 17.871 -2.438 149 HD11 ILE 17 HD1 ILE 17 42.694 19.627 -0.074 150 HD12 ILE 17 HD2 ILE 17 41.928 18.679 -1.367 151 HD13 ILE 17 HD3 ILE 17 43.599 19.250 -1.555 152 H GLY 18 HN GLY 18 42.522 14.058 -2.034 153 HA2 GLY 18 HA1 GLY 18 44.306 13.054 -4.165 154 HA3 GLY 18 HA2 GLY 18 43.398 12.092 -2.979 155 H GLY 19 HN GLY 19 40.851 13.338 -3.396 156 HA2 GLY 19 HA1 GLY 19 39.903 11.718 -5.562 157 HA3 GLY 19 HA2 GLY 19 38.982 12.966 -4.700 158 H ALA 20 HN ALA 20 40.863 15.125 -5.325 159 HA ALA 20 HA ALA 20 39.667 16.029 -7.749 160 HB1 ALA 20 HB1 ALA 20 40.577 17.623 -6.212 161 HB2 ALA 20 HB2 ALA 20 41.536 17.741 -7.706 162 HB3 ALA 20 HB3 ALA 20 42.190 16.877 -6.293 163 H LEU 21 HN LEU 21 42.380 13.933 -7.168 164 HA LEU 21 HA LEU 21 43.643 14.365 -9.772 165 HB2 LEU 21 HB2 LEU 21 43.963 11.933 -7.981 166 HB3 LEU 21 HB1 LEU 21 45.126 12.609 -9.146 167 HG LEU 21 HG LEU 21 44.209 13.876 -6.526 168 HD11 LEU 21 HD11 LEU 21 46.932 12.901 -7.501 169 HD12 LEU 21 HD12 LEU 21 45.885 12.042 -6.346 170 HD13 LEU 21 HD13 LEU 21 46.586 13.620 -5.910 171 HD21 LEU 21 HD21 LEU 21 45.878 14.950 -8.839 172 HD22 LEU 21 HD22 LEU 21 46.043 15.593 -7.187 173 HD23 LEU 21 HD23 LEU 21 44.485 15.711 -8.034 174 H ASP 22 HN ASP 22 40.888 12.676 -8.644 175 HA ASP 22 HA ASP 22 40.805 10.365 -10.229 176 HB2 ASP 22 HB2 ASP 22 38.557 12.303 -9.554 177 HB3 ASP 22 HB1 ASP 22 38.322 10.663 -10.206 178 H HIS 23 HN HIS 23 40.025 13.734 -11.130 179 HA HIS 23 HA HIS 23 40.717 13.238 -13.896 180 HB2 HIS 23 HB2 HIS 23 38.525 12.095 -13.883 181 HB3 HIS 23 HB1 HIS 23 37.757 13.580 -13.270 182 HD1 HIS 23 HD1 HIS 23 39.283 12.033 -16.356 183 HD2 HIS 23 HD2 HIS 23 37.617 15.715 -15.190 184 HE1 HIS 23 HE1 HIS 23 38.853 13.382 -18.483 185 H LEU 24 HN LEU 24 39.758 15.168 -11.242 186 HA LEU 24 HA LEU 24 39.535 17.668 -12.840 187 HB2 LEU 24 HB2 LEU 24 39.279 16.960 -9.897 188 HB3 LEU 24 HB1 LEU 24 39.390 18.653 -10.430 189 HG LEU 24 HG LEU 24 37.414 18.387 -11.846 190 HD11 LEU 24 HD11 LEU 24 37.641 15.474 -10.994 191 HD12 LEU 24 HD12 LEU 24 37.560 16.143 -12.642 192 HD13 LEU 24 HD13 LEU 24 36.116 16.158 -11.605 193 HD21 LEU 24 HD21 LEU 24 37.089 18.933 -9.442 194 HD22 LEU 24 HD22 LEU 24 36.969 17.197 -9.069 195 HD23 LEU 24 HD23 LEU 24 35.730 17.978 -10.080 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 59.801 0.702 11.413 2 H2 GLY 1 HT2 GLY 1 59.536 -0.155 12.857 3 H3 GLY 1 HT3 GLY 1 59.820 1.520 12.896 4 HA2 GLY 1 HA1 GLY 1 57.425 0.038 12.306 5 HA3 GLY 1 HA2 GLY 1 57.633 1.625 13.072 6 H LYS 2 HN LYS 2 58.442 0.136 9.900 7 HA LYS 2 HA LYS 2 57.879 2.651 8.513 8 HB2 LYS 2 HB2 LYS 2 58.373 -0.170 7.472 9 HB3 LYS 2 HB1 LYS 2 58.293 1.300 6.468 10 HG2 LYS 2 HG2 LYS 2 60.234 2.243 7.537 11 HG3 LYS 2 HG1 LYS 2 60.219 0.996 8.807 12 HD2 LYS 2 HD2 LYS 2 61.956 0.484 7.138 13 HD3 LYS 2 HD1 LYS 2 60.672 -0.746 7.087 14 HE2 LYS 2 HE2 LYS 2 60.522 1.665 5.249 15 HE3 LYS 2 HE1 LYS 2 61.551 0.277 4.824 16 HZ1 LYS 2 HZ1 LYS 2 58.907 -0.443 5.739 17 HZ2 LYS 2 HZ2 LYS 2 59.785 -0.995 4.394 18 HZ3 LYS 2 HZ3 LYS 2 58.911 0.460 4.304 19 H GLY 3 HN GLY 3 55.667 1.827 10.068 20 HA2 GLY 3 HA1 GLY 3 53.588 0.361 8.961 21 HA3 GLY 3 HA2 GLY 3 53.288 2.021 9.653 22 H ARG 4 HN ARG 4 54.204 3.580 8.809 23 HA ARG 4 HA ARG 4 51.981 3.779 7.866 24 HB2 ARG 4 HB2 ARG 4 54.083 5.937 7.322 25 HB3 ARG 4 HB1 ARG 4 52.319 6.194 7.324 26 HG2 ARG 4 HG2 ARG 4 52.252 5.306 9.682 27 HG3 ARG 4 HG1 ARG 4 54.032 5.251 9.666 28 HD2 ARG 4 HD2 ARG 4 52.251 7.705 9.378 29 HD3 ARG 4 HD1 ARG 4 53.399 7.346 10.690 30 HE ARG 4 HE ARG 4 54.981 7.357 8.407 31 HH11 ARG 4 HH11 ARG 4 53.691 9.249 6.870 32 HH12 ARG 4 HH12 ARG 4 54.024 10.791 7.586 33 HH21 ARG 4 HH21 ARG 4 54.996 9.459 10.637 34 HH22 ARG 4 HH22 ARG 4 54.762 10.909 9.720 35 H TRP 5 HN TRP 5 54.516 2.715 6.258 36 HA TRP 5 HA TRP 5 54.647 3.596 3.615 37 HB2 TRP 5 HB2 TRP 5 55.920 1.659 4.608 38 HB3 TRP 5 HB1 TRP 5 54.470 0.655 4.384 39 HD1 TRP 5 HD1 TRP 5 53.704 0.134 1.880 40 HE1 TRP 5 HE1 TRP 5 54.982 0.137 -0.384 41 HE3 TRP 5 HE3 TRP 5 57.823 2.833 3.282 42 HZ2 TRP 5 HZ2 TRP 5 57.461 1.181 -1.414 43 HZ3 TRP 5 HZ3 TRP 5 59.631 3.319 1.642 44 HH2 TRP 5 HH2 TRP 5 59.454 2.498 -0.703 45 H LEU 6 HN LEU 6 51.919 2.246 5.223 46 HA LEU 6 HA LEU 6 50.439 1.954 2.616 47 HB2 LEU 6 HB2 LEU 6 50.534 -0.142 3.867 48 HB3 LEU 6 HB1 LEU 6 49.978 0.673 5.344 49 HG LEU 6 HG LEU 6 47.800 1.149 4.309 50 HD11 LEU 6 HD11 LEU 6 47.383 -0.050 2.011 51 HD12 LEU 6 HD12 LEU 6 49.153 0.004 1.836 52 HD13 LEU 6 HD13 LEU 6 48.226 1.514 2.003 53 HD21 LEU 6 HD21 LEU 6 48.236 -1.068 5.410 54 HD22 LEU 6 HD22 LEU 6 48.614 -1.747 3.808 55 HD23 LEU 6 HD23 LEU 6 46.976 -1.145 4.156 56 H GLU 7 HN GLU 7 50.724 3.660 5.674 57 HA GLU 7 HA GLU 7 48.056 4.989 5.178 58 HB2 GLU 7 HB2 GLU 7 48.565 3.764 7.414 59 HB3 GLU 7 HB1 GLU 7 49.674 5.111 7.752 60 HG2 GLU 7 HG2 GLU 7 47.573 5.727 8.738 61 HG3 GLU 7 HG1 GLU 7 47.701 6.681 7.243 62 H ARG 8 HN ARG 8 50.121 5.721 3.519 63 HA ARG 8 HA ARG 8 51.752 7.851 4.524 64 HB2 ARG 8 HB2 ARG 8 51.958 6.558 2.307 65 HB3 ARG 8 HB1 ARG 8 50.694 7.644 1.682 66 HG2 ARG 8 HG2 ARG 8 52.175 9.592 2.479 67 HG3 ARG 8 HG1 ARG 8 53.462 8.386 2.715 68 HD2 ARG 8 HD2 ARG 8 53.137 7.680 0.307 69 HD3 ARG 8 HD1 ARG 8 52.022 9.053 0.113 70 HE ARG 8 HE ARG 8 54.888 9.233 0.089 71 HH11 ARG 8 HH11 ARG 8 55.914 11.184 0.714 72 HH12 ARG 8 HH12 ARG 8 54.929 12.569 1.042 73 HH21 ARG 8 HH21 ARG 8 51.937 10.836 0.776 74 HH22 ARG 8 HH22 ARG 8 52.677 12.373 1.076 75 H ILE 9 HN ILE 9 51.297 9.871 5.094 76 HA ILE 9 HA ILE 9 48.670 10.874 5.279 77 HB ILE 9 HB ILE 9 50.557 11.821 6.557 78 HG12 ILE 9 HG12 ILE 9 50.064 14.189 6.352 79 HG13 ILE 9 HG11 ILE 9 49.486 13.990 4.688 80 HG21 ILE 9 HG21 ILE 9 52.283 13.160 5.483 81 HG22 ILE 9 HG22 ILE 9 51.492 12.980 3.899 82 HG23 ILE 9 HG23 ILE 9 52.222 11.566 4.696 83 HD11 ILE 9 HD1 ILE 9 47.488 12.915 5.385 84 HD12 ILE 9 HD2 ILE 9 47.724 14.164 6.627 85 HD13 ILE 9 HD3 ILE 9 48.168 12.476 6.970 86 H GLY 10 HN GLY 10 50.544 10.379 2.511 87 HA2 GLY 10 HA1 GLY 10 50.220 12.420 0.746 88 HA3 GLY 10 HA2 GLY 10 49.914 10.734 0.287 89 H LYS 11 HN LYS 11 47.599 10.611 2.205 90 HA LYS 11 HA LYS 11 45.579 11.445 0.295 91 HB2 LYS 11 HB2 LYS 11 44.034 10.865 2.344 92 HB3 LYS 11 HB1 LYS 11 44.950 9.560 1.554 93 HG2 LYS 11 HG2 LYS 11 46.608 9.525 3.272 94 HG3 LYS 11 HG1 LYS 11 46.070 11.084 3.940 95 HD2 LYS 11 HD2 LYS 11 43.976 10.102 4.700 96 HD3 LYS 11 HD1 LYS 11 44.354 8.564 3.887 97 HE2 LYS 11 HE2 LYS 11 44.869 8.349 6.267 98 HE3 LYS 11 HE1 LYS 11 46.390 8.351 5.343 99 HZ1 LYS 11 HZ1 LYS 11 45.193 10.578 6.901 100 HZ2 LYS 11 HZ2 LYS 11 46.444 10.818 5.778 101 HZ3 LYS 11 HZ3 LYS 11 46.696 9.827 7.134 102 H ALA 12 HN ALA 12 45.503 13.598 -0.081 103 HA ALA 12 HA ALA 12 45.900 15.632 1.867 104 HB1 ALA 12 HB1 ALA 12 45.948 16.005 -0.570 105 HB2 ALA 12 HB2 ALA 12 44.825 17.122 0.242 106 HB3 ALA 12 HB3 ALA 12 44.195 15.714 -0.646 107 H GLY 13 HN GLY 13 43.498 13.333 1.815 108 HA2 GLY 13 HA1 GLY 13 41.387 13.199 2.762 109 HA3 GLY 13 HA2 GLY 13 42.065 14.292 3.985 110 H PHE 14 HN PHE 14 41.222 14.743 0.525 111 HA PHE 14 HA PHE 14 38.938 16.441 1.218 112 HB2 PHE 14 HB2 PHE 14 41.062 17.885 1.572 113 HB3 PHE 14 HB1 PHE 14 41.248 17.827 -0.196 114 HD1 PHE 14 HD1 PHE 14 40.165 19.507 -1.472 115 HD2 PHE 14 HD2 PHE 14 38.605 18.481 2.421 116 HE1 PHE 14 HE1 PHE 14 38.464 21.313 -1.679 117 HE2 PHE 14 HE2 PHE 14 36.904 20.289 2.213 118 HZ PHE 14 HZ PHE 14 36.807 21.676 0.146 119 H ILE 15 HN ILE 15 41.383 15.638 -1.294 120 HA ILE 15 HA ILE 15 39.223 14.742 -3.080 121 HB ILE 15 HB ILE 15 40.049 16.233 -4.987 122 HG12 ILE 15 HG12 ILE 15 41.269 17.768 -2.643 123 HG13 ILE 15 HG11 ILE 15 42.187 16.903 -3.894 124 HG21 ILE 15 HG21 ILE 15 38.870 17.832 -2.678 125 HG22 ILE 15 HG22 ILE 15 37.928 16.617 -3.573 126 HG23 ILE 15 HG23 ILE 15 38.577 18.036 -4.420 127 HD11 ILE 15 HD1 ILE 15 42.186 19.151 -4.648 128 HD12 ILE 15 HD2 ILE 15 40.486 19.400 -4.183 129 HD13 ILE 15 HD3 ILE 15 40.886 18.390 -5.596 130 H ILE 16 HN ILE 16 40.925 13.102 -2.030 131 HA ILE 16 HA ILE 16 42.723 12.403 -4.312 132 HB ILE 16 HB ILE 16 43.499 12.763 -1.399 133 HG12 ILE 16 HG12 ILE 16 43.867 14.543 -3.278 134 HG13 ILE 16 HG11 ILE 16 45.217 14.170 -2.195 135 HG21 ILE 16 HG21 ILE 16 45.699 11.565 -2.068 136 HG22 ILE 16 HG22 ILE 16 44.769 10.883 -3.425 137 HG23 ILE 16 HG23 ILE 16 44.278 10.547 -1.750 138 HD11 ILE 16 HD1 ILE 16 44.915 12.733 -4.862 139 HD12 ILE 16 HD2 ILE 16 46.366 12.919 -3.857 140 HD13 ILE 16 HD3 ILE 16 45.713 14.312 -4.742 141 H ILE 17 HN ILE 17 41.382 11.450 -1.126 142 HA ILE 17 HA ILE 17 41.624 8.622 -1.672 143 HB ILE 17 HB ILE 17 40.385 8.233 0.328 144 HG12 ILE 17 HG12 ILE 17 38.408 9.575 0.037 145 HG13 ILE 17 HG11 ILE 17 39.177 10.142 1.527 146 HG21 ILE 17 HG21 ILE 17 42.148 10.702 0.487 147 HG22 ILE 17 HG22 ILE 17 42.542 9.022 0.894 148 HG23 ILE 17 HG23 ILE 17 41.452 9.954 1.941 149 HD11 ILE 17 HD1 ILE 17 40.257 11.996 0.154 150 HD12 ILE 17 HD2 ILE 17 38.489 12.087 0.277 151 HD13 ILE 17 HD3 ILE 17 39.241 11.480 -1.211 152 H GLY 18 HN GLY 18 39.903 10.780 -3.325 153 HA2 GLY 18 HA1 GLY 18 38.171 8.814 -4.492 154 HA3 GLY 18 HA2 GLY 18 37.239 9.845 -3.388 155 H GLY 19 HN GLY 19 39.293 12.055 -4.024 156 HA2 GLY 19 HA1 GLY 19 37.694 13.343 -6.037 157 HA3 GLY 19 HA2 GLY 19 39.248 13.916 -5.400 158 H ALA 20 HN ALA 20 41.111 12.225 -6.130 159 HA ALA 20 HA ALA 20 42.432 11.627 -7.936 160 HB1 ALA 20 HB1 ALA 20 40.589 9.894 -8.084 161 HB2 ALA 20 HB2 ALA 20 41.449 10.225 -9.607 162 HB3 ALA 20 HB3 ALA 20 39.833 10.918 -9.327 163 H LEU 21 HN LEU 21 40.577 14.257 -7.896 164 HA LEU 21 HA LEU 21 40.386 16.140 -9.242 165 HB2 LEU 21 HB2 LEU 21 42.840 15.153 -10.734 166 HB3 LEU 21 HB1 LEU 21 42.351 16.827 -10.378 167 HG LEU 21 HG LEU 21 43.270 14.738 -8.351 168 HD11 LEU 21 HD11 LEU 21 45.091 15.697 -9.710 169 HD12 LEU 21 HD12 LEU 21 45.167 16.323 -8.046 170 HD13 LEU 21 HD13 LEU 21 44.513 17.341 -9.351 171 HD21 LEU 21 HD21 LEU 21 43.196 16.805 -6.803 172 HD22 LEU 21 HD22 LEU 21 41.629 16.089 -7.242 173 HD23 LEU 21 HD23 LEU 21 42.188 17.573 -8.053 174 H ASP 22 HN ASP 22 39.482 13.295 -10.213 175 HA ASP 22 HA ASP 22 39.488 13.560 -13.123 176 HB2 ASP 22 HB2 ASP 22 39.370 11.367 -11.928 177 HB3 ASP 22 HB1 ASP 22 37.748 11.810 -11.340 178 H HIS 23 HN HIS 23 38.501 15.910 -11.767 179 HA HIS 23 HA HIS 23 36.714 17.387 -11.878 180 HB2 HIS 23 HB2 HIS 23 37.062 16.888 -14.321 181 HB3 HIS 23 HB1 HIS 23 35.799 15.641 -14.196 182 HD1 HIS 23 HD1 HIS 23 33.399 16.385 -14.354 183 HD2 HIS 23 HD2 HIS 23 36.058 19.592 -13.796 184 HE1 HIS 23 HE1 HIS 23 32.041 18.541 -14.543 185 H LEU 24 HN LEU 24 36.474 14.712 -10.401 186 HA LEU 24 HA LEU 24 33.819 13.751 -10.545 187 HB2 LEU 24 HB2 LEU 24 35.491 12.568 -9.264 188 HB3 LEU 24 HB1 LEU 24 35.756 13.969 -8.205 189 HG LEU 24 HG LEU 24 33.551 13.732 -7.216 190 HD11 LEU 24 HD11 LEU 24 33.128 11.710 -9.452 191 HD12 LEU 24 HD12 LEU 24 32.132 13.125 -9.031 192 HD13 LEU 24 HD13 LEU 24 32.128 11.692 -7.979 193 HD21 LEU 24 HD21 LEU 24 33.790 11.565 -6.148 194 HD22 LEU 24 HD22 LEU 24 35.421 12.206 -6.457 195 HD23 LEU 24 HD23 LEU 24 34.745 10.942 -7.514 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 63.043 1.217 6.819 2 H2 GLY 1 HT2 GLY 1 62.638 1.720 8.391 3 H3 GLY 1 HT3 GLY 1 63.909 2.474 7.552 4 HA2 GLY 1 HA1 GLY 1 62.005 3.871 7.562 5 HA3 GLY 1 HA2 GLY 1 62.382 3.307 5.922 6 H LYS 2 HN LYS 2 60.465 3.228 4.923 7 HA LYS 2 HA LYS 2 58.298 2.545 4.445 8 HB2 LYS 2 HB2 LYS 2 58.824 0.267 6.393 9 HB3 LYS 2 HB1 LYS 2 57.689 0.288 5.023 10 HG2 LYS 2 HG2 LYS 2 59.587 0.526 3.447 11 HG3 LYS 2 HG1 LYS 2 60.725 0.502 4.816 12 HD2 LYS 2 HD2 LYS 2 59.972 -1.760 5.435 13 HD3 LYS 2 HD1 LYS 2 58.783 -1.740 4.110 14 HE2 LYS 2 HE2 LYS 2 60.566 -1.585 2.447 15 HE3 LYS 2 HE1 LYS 2 61.793 -1.444 3.728 16 HZ1 LYS 2 HZ1 LYS 2 61.625 -3.634 4.255 17 HZ2 LYS 2 HZ2 LYS 2 61.203 -3.744 2.612 18 HZ3 LYS 2 HZ3 LYS 2 59.994 -3.756 3.806 19 H GLY 3 HN GLY 3 56.623 0.949 6.368 20 HA2 GLY 3 HA1 GLY 3 54.754 1.660 7.727 21 HA3 GLY 3 HA2 GLY 3 56.125 2.207 8.832 22 H ARG 4 HN ARG 4 54.494 2.253 6.157 23 HA ARG 4 HA ARG 4 52.759 3.442 6.869 24 HB2 ARG 4 HB2 ARG 4 54.582 5.722 6.251 25 HB3 ARG 4 HB1 ARG 4 52.944 5.947 5.610 26 HG2 ARG 4 HG2 ARG 4 52.732 5.056 8.404 27 HG3 ARG 4 HG1 ARG 4 53.851 6.425 8.324 28 HD2 ARG 4 HD2 ARG 4 51.160 6.569 6.920 29 HD3 ARG 4 HD1 ARG 4 51.310 6.913 8.656 30 HE ARG 4 HE ARG 4 52.098 9.014 7.972 31 HH11 ARG 4 HH11 ARG 4 54.799 7.970 7.319 32 HH12 ARG 4 HH12 ARG 4 54.988 8.423 5.657 33 HH21 ARG 4 HH21 ARG 4 51.605 9.000 5.155 34 HH22 ARG 4 HH22 ARG 4 53.180 9.007 4.433 35 H TRP 5 HN TRP 5 54.769 2.631 4.510 36 HA TRP 5 HA TRP 5 53.849 3.425 2.010 37 HB2 TRP 5 HB2 TRP 5 54.695 0.702 3.048 38 HB3 TRP 5 HB1 TRP 5 54.254 0.928 1.340 39 HD1 TRP 5 HD1 TRP 5 56.036 3.738 3.213 40 HE1 TRP 5 HE1 TRP 5 58.428 4.053 2.253 41 HE3 TRP 5 HE3 TRP 5 56.224 -0.363 0.153 42 HZ2 TRP 5 HZ2 TRP 5 60.165 2.690 0.404 43 HZ3 TRP 5 HZ3 TRP 5 58.260 -0.835 -1.201 44 HH2 TRP 5 HH2 TRP 5 60.229 0.687 -1.078 45 H LEU 6 HN LEU 6 52.118 1.779 4.483 46 HA LEU 6 HA LEU 6 49.853 1.130 2.610 47 HB2 LEU 6 HB2 LEU 6 50.232 0.115 5.448 48 HB3 LEU 6 HB1 LEU 6 49.151 -0.516 4.183 49 HG LEU 6 HG LEU 6 52.203 -0.569 4.125 50 HD11 LEU 6 HD11 LEU 6 50.207 -2.863 4.299 51 HD12 LEU 6 HD12 LEU 6 51.026 -2.158 5.714 52 HD13 LEU 6 HD13 LEU 6 51.978 -2.957 4.441 53 HD21 LEU 6 HD21 LEU 6 51.691 -2.123 2.105 54 HD22 LEU 6 HD22 LEU 6 51.487 -0.376 1.852 55 HD23 LEU 6 HD23 LEU 6 50.062 -1.408 2.126 56 H GLU 7 HN GLU 7 50.953 3.222 5.206 57 HA GLU 7 HA GLU 7 48.086 4.055 5.721 58 HB2 GLU 7 HB2 GLU 7 50.625 4.316 7.374 59 HB3 GLU 7 HB1 GLU 7 49.115 5.176 7.755 60 HG2 GLU 7 HG2 GLU 7 47.916 3.010 7.882 61 HG3 GLU 7 HG1 GLU 7 49.427 2.150 7.498 62 H ARG 8 HN ARG 8 50.309 4.731 3.579 63 HA ARG 8 HA ARG 8 51.113 7.410 3.870 64 HB2 ARG 8 HB2 ARG 8 51.730 5.813 2.009 65 HB3 ARG 8 HB1 ARG 8 50.139 6.146 1.283 66 HG2 ARG 8 HG2 ARG 8 50.682 8.561 1.193 67 HG3 ARG 8 HG1 ARG 8 52.276 8.230 1.912 68 HD2 ARG 8 HD2 ARG 8 52.942 6.899 -0.001 69 HD3 ARG 8 HD1 ARG 8 51.298 6.964 -0.682 70 HE ARG 8 HE ARG 8 53.324 9.017 -0.956 71 HH11 ARG 8 HH11 ARG 8 52.412 11.249 -0.710 72 HH12 ARG 8 HH12 ARG 8 50.849 11.478 -1.421 73 HH21 ARG 8 HH21 ARG 8 50.238 8.086 -1.810 74 HH22 ARG 8 HH22 ARG 8 49.618 9.687 -2.043 75 H ILE 9 HN ILE 9 49.751 8.919 4.683 76 HA ILE 9 HA ILE 9 46.970 9.069 4.174 77 HB ILE 9 HB ILE 9 47.906 10.339 6.006 78 HG12 ILE 9 HG12 ILE 9 46.910 12.531 5.671 79 HG13 ILE 9 HG11 ILE 9 47.036 12.384 3.906 80 HG21 ILE 9 HG21 ILE 9 49.554 12.041 5.812 81 HG22 ILE 9 HG22 ILE 9 49.376 12.144 4.048 82 HG23 ILE 9 HG23 ILE 9 50.145 10.720 4.782 83 HD11 ILE 9 HD1 ILE 9 45.335 10.731 3.803 84 HD12 ILE 9 HD2 ILE 9 44.729 11.890 5.009 85 HD13 ILE 9 HD3 ILE 9 45.464 10.359 5.540 86 H GLY 10 HN GLY 10 46.056 9.127 2.238 87 HA2 GLY 10 HA1 GLY 10 47.362 10.674 0.042 88 HA3 GLY 10 HA2 GLY 10 46.060 9.480 -0.123 89 H LYS 11 HN LYS 11 44.341 10.484 1.921 90 HA LYS 11 HA LYS 11 42.931 12.463 0.382 91 HB2 LYS 11 HB2 LYS 11 42.625 11.609 3.288 92 HB3 LYS 11 HB1 LYS 11 41.458 12.605 2.386 93 HG2 LYS 11 HG2 LYS 11 41.143 10.792 0.747 94 HG3 LYS 11 HG1 LYS 11 42.348 9.796 1.599 95 HD2 LYS 11 HD2 LYS 11 40.928 9.866 3.648 96 HD3 LYS 11 HD1 LYS 11 39.707 10.800 2.750 97 HE2 LYS 11 HE2 LYS 11 39.090 8.422 2.753 98 HE3 LYS 11 HE1 LYS 11 39.527 8.927 1.103 99 HZ1 LYS 11 HZ1 LYS 11 40.531 6.782 1.872 100 HZ2 LYS 11 HZ2 LYS 11 41.452 7.670 2.989 101 HZ3 LYS 11 HZ3 LYS 11 41.649 7.932 1.321 102 H ALA 12 HN ALA 12 43.861 14.393 0.014 103 HA ALA 12 HA ALA 12 45.502 15.750 1.977 104 HB1 ALA 12 HB1 ALA 12 45.500 17.588 0.411 105 HB2 ALA 12 HB2 ALA 12 44.072 16.935 -0.427 106 HB3 ALA 12 HB3 ALA 12 45.628 16.073 -0.512 107 H GLY 13 HN GLY 13 42.312 15.053 2.057 108 HA2 GLY 13 HA1 GLY 13 40.463 16.004 3.081 109 HA3 GLY 13 HA2 GLY 13 41.651 16.660 4.223 110 H PHE 14 HN PHE 14 40.805 17.332 0.789 111 HA PHE 14 HA PHE 14 39.770 19.971 1.483 112 HB2 PHE 14 HB2 PHE 14 42.347 20.185 1.597 113 HB3 PHE 14 HB1 PHE 14 42.325 19.970 -0.169 114 HD1 PHE 14 HD1 PHE 14 40.569 21.953 2.524 115 HD2 PHE 14 HD2 PHE 14 42.117 21.917 -1.507 116 HE1 PHE 14 HE1 PHE 14 39.963 24.356 2.267 117 HE2 PHE 14 HE2 PHE 14 41.509 24.317 -1.761 118 HZ PHE 14 HZ PHE 14 40.465 25.546 0.137 119 H ILE 15 HN ILE 15 41.279 18.011 -1.138 120 HA ILE 15 HA ILE 15 38.791 18.233 -2.695 121 HB ILE 15 HB ILE 15 40.041 19.104 -4.751 122 HG12 ILE 15 HG12 ILE 15 42.084 19.816 -2.592 123 HG13 ILE 15 HG11 ILE 15 42.341 18.719 -3.963 124 HG21 ILE 15 HG21 ILE 15 39.997 21.116 -2.466 125 HG22 ILE 15 HG22 ILE 15 38.507 20.487 -3.208 126 HG23 ILE 15 HG23 ILE 15 39.670 21.403 -4.190 127 HD11 ILE 15 HD1 ILE 15 43.312 20.756 -4.685 128 HD12 ILE 15 HD2 ILE 15 41.999 21.733 -3.991 129 HD13 ILE 15 HD3 ILE 15 41.709 20.764 -5.457 130 H ILE 16 HN ILE 16 39.461 15.985 -1.746 131 HA ILE 16 HA ILE 16 40.671 14.485 -4.050 132 HB ILE 16 HB ILE 16 41.249 14.187 -1.079 133 HG12 ILE 16 HG12 ILE 16 42.674 15.812 -2.236 134 HG13 ILE 16 HG11 ILE 16 43.619 14.383 -1.782 135 HG21 ILE 16 HG21 ILE 16 41.444 12.151 -3.302 136 HG22 ILE 16 HG22 ILE 16 41.094 11.919 -1.576 137 HG23 ILE 16 HG23 ILE 16 42.767 12.190 -2.112 138 HD11 ILE 16 HD1 ILE 16 42.982 13.592 -4.274 139 HD12 ILE 16 HD2 ILE 16 44.352 14.678 -3.981 140 HD13 ILE 16 HD3 ILE 16 42.798 15.340 -4.529 141 H ILE 17 HN ILE 17 39.345 13.644 -0.822 142 HA ILE 17 HA ILE 17 37.732 11.530 -1.985 143 HB ILE 17 HB ILE 17 38.535 11.318 0.326 144 HG12 ILE 17 HG12 ILE 17 36.464 10.698 1.454 145 HG13 ILE 17 HG11 ILE 17 35.507 11.753 0.394 146 HG21 ILE 17 HG21 ILE 17 38.504 13.808 0.772 147 HG22 ILE 17 HG22 ILE 17 37.839 12.820 2.094 148 HG23 ILE 17 HG23 ILE 17 36.744 13.689 0.994 149 HD11 ILE 17 HD1 ILE 17 37.207 9.525 -0.782 150 HD12 ILE 17 HD2 ILE 17 35.775 10.327 -1.475 151 HD13 ILE 17 HD3 ILE 17 35.588 9.182 -0.126 152 H GLY 18 HN GLY 18 37.158 14.850 -0.853 153 HA2 GLY 18 HA1 GLY 18 34.270 14.688 -1.252 154 HA3 GLY 18 HA2 GLY 18 35.223 16.146 -0.914 155 H GLY 19 HN GLY 19 37.027 16.155 -3.003 156 HA2 GLY 19 HA1 GLY 19 35.335 17.184 -5.127 157 HA3 GLY 19 HA2 GLY 19 37.108 17.086 -5.128 158 H ALA 20 HN ALA 20 37.447 14.326 -4.735 159 HA ALA 20 HA ALA 20 37.635 12.416 -6.038 160 HB1 ALA 20 HB1 ALA 20 35.583 11.469 -6.877 161 HB2 ALA 20 HB2 ALA 20 34.794 13.065 -6.888 162 HB3 ALA 20 HB3 ALA 20 35.223 12.294 -5.342 163 H LEU 21 HN LEU 21 38.568 14.870 -7.185 164 HA LEU 21 HA LEU 21 37.699 14.987 -9.972 165 HB2 LEU 21 HB2 LEU 21 40.288 16.090 -8.828 166 HB3 LEU 21 HB1 LEU 21 39.368 16.671 -10.234 167 HG LEU 21 HG LEU 21 38.422 16.750 -7.332 168 HD11 LEU 21 HD11 LEU 21 38.776 19.141 -7.472 169 HD12 LEU 21 HD12 LEU 21 39.173 19.034 -9.204 170 HD13 LEU 21 HD13 LEU 21 40.280 18.346 -7.993 171 HD21 LEU 21 HD21 LEU 21 36.638 18.283 -8.434 172 HD22 LEU 21 HD22 LEU 21 36.471 16.532 -8.699 173 HD23 LEU 21 HD23 LEU 21 37.151 17.566 -9.980 174 H ASP 22 HN ASP 22 38.133 13.483 -11.420 175 HA ASP 22 HA ASP 22 39.275 11.868 -12.617 176 HB2 ASP 22 HB2 ASP 22 41.795 13.148 -11.510 177 HB3 ASP 22 HB1 ASP 22 41.630 12.188 -12.997 178 H HIS 23 HN HIS 23 41.664 12.215 -9.964 179 HA HIS 23 HA HIS 23 42.359 9.596 -9.593 180 HB2 HIS 23 HB2 HIS 23 41.702 11.482 -7.296 181 HB3 HIS 23 HB1 HIS 23 42.832 10.108 -7.261 182 HD1 HIS 23 HD1 HIS 23 44.580 10.370 -9.612 183 HD2 HIS 23 HD2 HIS 23 43.155 13.794 -7.631 184 HE1 HIS 23 HE1 HIS 23 46.176 12.287 -10.162 185 H LEU 24 HN LEU 24 39.309 11.084 -8.649 186 HA LEU 24 HA LEU 24 37.414 10.181 -7.656 187 HB2 LEU 24 HB2 LEU 24 37.199 9.296 -9.892 188 HB3 LEU 24 HB1 LEU 24 38.327 7.973 -9.535 189 HG LEU 24 HG LEU 24 36.747 6.939 -8.004 190 HD11 LEU 24 HD11 LEU 24 35.716 8.760 -6.865 191 HD12 LEU 24 HD12 LEU 24 34.397 8.046 -7.821 192 HD13 LEU 24 HD13 LEU 24 35.200 9.532 -8.383 193 HD21 LEU 24 HD21 LEU 24 36.437 6.546 -10.448 194 HD22 LEU 24 HD22 LEU 24 35.281 7.899 -10.502 195 HD23 LEU 24 HD23 LEU 24 34.902 6.441 -9.553 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 62.447 -0.324 10.841 2 H2 GLY 1 HT2 GLY 1 61.107 -1.296 11.225 3 H3 GLY 1 HT3 GLY 1 60.891 0.160 10.377 4 HA2 GLY 1 HA1 GLY 1 62.730 -1.396 8.995 5 HA3 GLY 1 HA2 GLY 1 61.309 -2.387 9.381 6 H LYS 2 HN LYS 2 59.154 -1.403 8.903 7 HA LYS 2 HA LYS 2 59.179 0.649 6.749 8 HB2 LYS 2 HB2 LYS 2 58.186 -2.203 6.342 9 HB3 LYS 2 HB1 LYS 2 57.818 -0.843 5.254 10 HG2 LYS 2 HG2 LYS 2 60.336 -0.486 5.028 11 HG3 LYS 2 HG1 LYS 2 60.551 -2.032 5.884 12 HD2 LYS 2 HD2 LYS 2 59.212 -3.187 4.154 13 HD3 LYS 2 HD1 LYS 2 58.977 -1.643 3.300 14 HE2 LYS 2 HE2 LYS 2 61.677 -2.943 3.864 15 HE3 LYS 2 HE1 LYS 2 60.827 -2.980 2.301 16 HZ1 LYS 2 HZ1 LYS 2 62.482 -0.961 3.345 17 HZ2 LYS 2 HZ2 LYS 2 60.914 -0.325 3.188 18 HZ3 LYS 2 HZ3 LYS 2 61.695 -1.009 1.842 19 H GLY 3 HN GLY 3 58.242 1.065 9.246 20 HA2 GLY 3 HA1 GLY 3 55.616 0.349 9.961 21 HA3 GLY 3 HA2 GLY 3 56.247 2.046 10.174 22 H ARG 4 HN ARG 4 56.850 3.049 8.568 23 HA ARG 4 HA ARG 4 54.652 4.008 8.908 24 HB2 ARG 4 HB2 ARG 4 56.570 5.094 6.790 25 HB3 ARG 4 HB1 ARG 4 55.223 6.027 7.488 26 HG2 ARG 4 HG2 ARG 4 56.148 5.789 9.734 27 HG3 ARG 4 HG1 ARG 4 57.426 4.704 9.132 28 HD2 ARG 4 HD2 ARG 4 58.311 6.987 9.433 29 HD3 ARG 4 HD1 ARG 4 58.303 6.546 7.708 30 HE ARG 4 HE ARG 4 55.852 7.830 8.151 31 HH11 ARG 4 HH11 ARG 4 58.885 8.525 7.054 32 HH12 ARG 4 HH12 ARG 4 58.855 10.215 7.429 33 HH21 ARG 4 HH21 ARG 4 55.934 10.022 9.288 34 HH22 ARG 4 HH22 ARG 4 57.185 11.063 8.695 35 H TRP 5 HN TRP 5 55.357 1.911 6.612 36 HA TRP 5 HA TRP 5 54.102 2.424 4.171 37 HB2 TRP 5 HB2 TRP 5 55.182 0.262 4.853 38 HB3 TRP 5 HB1 TRP 5 53.713 -0.129 5.780 39 HD1 TRP 5 HD1 TRP 5 51.440 -0.479 4.378 40 HE1 TRP 5 HE1 TRP 5 51.016 -1.242 1.929 41 HE3 TRP 5 HE3 TRP 5 56.116 0.333 2.458 42 HZ2 TRP 5 HZ2 TRP 5 52.527 -1.458 -0.513 43 HZ3 TRP 5 HZ3 TRP 5 56.602 -0.159 0.065 44 HH2 TRP 5 HH2 TRP 5 54.813 -1.053 -1.420 45 H LEU 6 HN LEU 6 52.669 2.352 7.297 46 HA LEU 6 HA LEU 6 49.894 2.352 6.130 47 HB2 LEU 6 HB2 LEU 6 49.112 1.613 8.276 48 HB3 LEU 6 HB1 LEU 6 50.480 0.576 7.820 49 HG LEU 6 HG LEU 6 51.793 2.619 9.205 50 HD11 LEU 6 HD11 LEU 6 49.259 2.044 10.800 51 HD12 LEU 6 HD12 LEU 6 49.482 3.528 9.846 52 HD13 LEU 6 HD13 LEU 6 50.575 3.171 11.203 53 HD21 LEU 6 HD21 LEU 6 52.119 0.171 9.501 54 HD22 LEU 6 HD22 LEU 6 50.594 0.082 10.414 55 HD23 LEU 6 HD23 LEU 6 51.969 1.004 11.066 56 H GLU 7 HN GLU 7 52.353 4.218 7.843 57 HA GLU 7 HA GLU 7 50.350 6.222 8.751 58 HB2 GLU 7 HB2 GLU 7 52.535 5.471 9.988 59 HB3 GLU 7 HB1 GLU 7 53.369 6.549 8.851 60 HG2 GLU 7 HG2 GLU 7 51.917 8.433 9.578 61 HG3 GLU 7 HG1 GLU 7 51.094 7.348 10.724 62 H ARG 8 HN ARG 8 51.672 5.434 5.848 63 HA ARG 8 HA ARG 8 52.696 7.880 4.819 64 HB2 ARG 8 HB2 ARG 8 52.718 5.574 3.722 65 HB3 ARG 8 HB1 ARG 8 51.028 5.879 3.250 66 HG2 ARG 8 HG2 ARG 8 51.765 7.991 2.119 67 HG3 ARG 8 HG1 ARG 8 53.452 7.580 2.511 68 HD2 ARG 8 HD2 ARG 8 53.116 5.389 1.285 69 HD3 ARG 8 HD1 ARG 8 51.528 5.997 0.756 70 HE ARG 8 HE ARG 8 53.291 8.006 0.006 71 HH11 ARG 8 HH11 ARG 8 52.458 7.379 -2.386 72 HH12 ARG 8 HH12 ARG 8 53.500 6.186 -3.087 73 HH21 ARG 8 HH21 ARG 8 54.917 5.262 -0.059 74 HH22 ARG 8 HH22 ARG 8 54.893 4.987 -1.769 75 H ILE 9 HN ILE 9 51.804 9.672 3.897 76 HA ILE 9 HA ILE 9 49.045 10.265 4.647 77 HB ILE 9 HB ILE 9 50.742 12.040 4.715 78 HG12 ILE 9 HG12 ILE 9 49.570 13.793 3.434 79 HG13 ILE 9 HG11 ILE 9 48.732 12.563 2.466 80 HG21 ILE 9 HG21 ILE 9 52.001 12.775 2.856 81 HG22 ILE 9 HG22 ILE 9 50.915 12.001 1.682 82 HG23 ILE 9 HG23 ILE 9 52.009 11.007 2.673 83 HD11 ILE 9 HD1 ILE 9 47.499 13.631 4.538 84 HD12 ILE 9 HD2 ILE 9 48.507 12.522 5.495 85 HD13 ILE 9 HD3 ILE 9 47.379 11.877 4.277 86 H GLY 10 HN GLY 10 47.361 9.509 3.572 87 HA2 GLY 10 HA1 GLY 10 47.506 9.419 0.559 88 HA3 GLY 10 HA2 GLY 10 46.780 8.116 1.521 89 H LYS 11 HN LYS 11 46.308 11.221 2.867 90 HA LYS 11 HA LYS 11 43.433 11.112 2.097 91 HB2 LYS 11 HB2 LYS 11 44.877 13.019 3.981 92 HB3 LYS 11 HB1 LYS 11 43.120 12.767 3.841 93 HG2 LYS 11 HG2 LYS 11 43.519 10.330 4.451 94 HG3 LYS 11 HG1 LYS 11 45.203 10.774 4.821 95 HD2 LYS 11 HD2 LYS 11 44.423 12.428 6.478 96 HD3 LYS 11 HD1 LYS 11 42.730 12.026 6.095 97 HE2 LYS 11 HE2 LYS 11 43.539 10.846 8.143 98 HE3 LYS 11 HE1 LYS 11 43.076 9.713 6.850 99 HZ1 LYS 11 HZ1 LYS 11 45.360 9.435 6.260 100 HZ2 LYS 11 HZ2 LYS 11 45.229 9.193 7.936 101 HZ3 LYS 11 HZ3 LYS 11 45.861 10.651 7.332 102 H ALA 12 HN ALA 12 43.033 11.959 0.128 103 HA ALA 12 HA ALA 12 44.575 14.242 -0.882 104 HB1 ALA 12 HB1 ALA 12 43.810 12.626 -2.481 105 HB2 ALA 12 HB2 ALA 12 42.863 14.108 -2.749 106 HB3 ALA 12 HB3 ALA 12 42.139 12.733 -1.884 107 H GLY 13 HN GLY 13 43.876 15.312 1.332 108 HA2 GLY 13 HA1 GLY 13 42.610 16.950 2.381 109 HA3 GLY 13 HA2 GLY 13 42.311 17.555 0.738 110 H PHE 14 HN PHE 14 41.315 14.642 2.573 111 HA PHE 14 HA PHE 14 39.220 13.734 2.926 112 HB2 PHE 14 HB2 PHE 14 38.878 16.031 3.996 113 HB3 PHE 14 HB1 PHE 14 38.091 16.523 2.477 114 HD1 PHE 14 HD1 PHE 14 37.998 13.853 5.130 115 HD2 PHE 14 HD2 PHE 14 35.788 16.042 2.137 116 HE1 PHE 14 HE1 PHE 14 35.890 12.764 5.889 117 HE2 PHE 14 HE2 PHE 14 33.681 14.954 2.897 118 HZ PHE 14 HZ PHE 14 33.746 13.253 4.716 119 H ILE 15 HN ILE 15 40.331 13.685 0.308 120 HA ILE 15 HA ILE 15 39.702 13.129 -1.840 121 HB ILE 15 HB ILE 15 36.825 12.981 -0.855 122 HG12 ILE 15 HG12 ILE 15 39.045 10.895 -0.623 123 HG13 ILE 15 HG11 ILE 15 38.293 11.764 0.735 124 HG21 ILE 15 HG21 ILE 15 37.435 12.760 -3.334 125 HG22 ILE 15 HG22 ILE 15 36.544 11.394 -2.630 126 HG23 ILE 15 HG23 ILE 15 38.300 11.270 -2.894 127 HD11 ILE 15 HD1 ILE 15 36.038 10.808 -0.175 128 HD12 ILE 15 HD2 ILE 15 37.134 9.698 0.682 129 HD13 ILE 15 HD3 ILE 15 37.061 9.678 -1.095 130 H ILE 16 HN ILE 16 40.285 15.489 -2.106 131 HA ILE 16 HA ILE 16 37.989 16.825 -3.485 132 HB ILE 16 HB ILE 16 38.194 17.851 -1.189 133 HG12 ILE 16 HG12 ILE 16 38.402 20.228 -2.004 134 HG13 ILE 16 HG11 ILE 16 38.976 19.611 -3.566 135 HG21 ILE 16 HG21 ILE 16 40.863 18.972 -2.116 136 HG22 ILE 16 HG22 ILE 16 40.762 17.471 -1.165 137 HG23 ILE 16 HG23 ILE 16 40.147 18.996 -0.488 138 HD11 ILE 16 HD1 ILE 16 36.869 18.759 -4.160 139 HD12 ILE 16 HD2 ILE 16 36.389 20.174 -3.197 140 HD13 ILE 16 HD3 ILE 16 36.355 18.553 -2.467 141 H ILE 17 HN ILE 17 41.515 16.990 -2.744 142 HA ILE 17 HA ILE 17 42.041 18.301 -5.314 143 HB ILE 17 HB ILE 17 43.568 18.726 -3.423 144 HG12 ILE 17 HG12 ILE 17 45.714 18.282 -4.508 145 HG13 ILE 17 HG11 ILE 17 44.999 16.999 -5.505 146 HG21 ILE 17 HG21 ILE 17 44.322 15.781 -3.589 147 HG22 ILE 17 HG22 ILE 17 43.195 16.444 -2.383 148 HG23 ILE 17 HG23 ILE 17 44.890 16.980 -2.404 149 HD11 ILE 17 HD1 ILE 17 45.334 19.389 -6.554 150 HD12 ILE 17 HD2 ILE 17 43.880 19.821 -5.622 151 HD13 ILE 17 HD3 ILE 17 43.803 18.532 -6.850 152 H GLY 18 HN GLY 18 41.885 15.084 -3.971 153 HA2 GLY 18 HA1 GLY 18 43.114 13.824 -6.349 154 HA3 GLY 18 HA2 GLY 18 42.472 13.007 -4.908 155 H GLY 19 HN GLY 19 39.929 13.871 -4.673 156 HA2 GLY 19 HA1 GLY 19 38.539 12.320 -6.597 157 HA3 GLY 19 HA2 GLY 19 37.806 13.532 -5.526 158 H ALA 20 HN ALA 20 39.125 15.842 -6.424 159 HA ALA 20 HA ALA 20 37.562 16.344 -8.857 160 HB1 ALA 20 HB1 ALA 20 37.905 17.984 -6.960 161 HB2 ALA 20 HB2 ALA 20 38.236 18.623 -8.587 162 HB3 ALA 20 HB3 ALA 20 39.583 18.166 -7.519 163 H LEU 21 HN LEU 21 39.190 14.366 -9.594 164 HA LEU 21 HA LEU 21 40.845 15.668 -11.643 165 HB2 LEU 21 HB2 LEU 21 42.201 15.274 -9.360 166 HB3 LEU 21 HB1 LEU 21 42.319 13.613 -9.970 167 HG LEU 21 HG LEU 21 43.151 16.112 -11.525 168 HD11 LEU 21 HD11 LEU 21 44.590 15.656 -9.545 169 HD12 LEU 21 HD12 LEU 21 45.454 15.360 -11.073 170 HD13 LEU 21 HD13 LEU 21 44.835 13.991 -10.121 171 HD21 LEU 21 HD21 LEU 21 42.532 14.336 -13.052 172 HD22 LEU 21 HD22 LEU 21 43.384 13.119 -12.069 173 HD23 LEU 21 HD23 LEU 21 44.308 14.352 -12.959 174 H ASP 22 HN ASP 22 38.713 14.499 -12.368 175 HA ASP 22 HA ASP 22 39.608 12.030 -13.684 176 HB2 ASP 22 HB2 ASP 22 38.862 11.140 -11.501 177 HB3 ASP 22 HB1 ASP 22 37.279 11.923 -11.725 178 H HIS 23 HN HIS 23 37.060 14.383 -12.929 179 HA HIS 23 HA HIS 23 36.393 14.601 -15.756 180 HB2 HIS 23 HB2 HIS 23 34.094 13.823 -15.656 181 HB3 HIS 23 HB1 HIS 23 35.167 12.505 -15.137 182 HD1 HIS 23 HD1 HIS 23 32.021 13.308 -14.294 183 HD2 HIS 23 HD2 HIS 23 35.507 13.521 -11.950 184 HE1 HIS 23 HE1 HIS 23 31.302 13.192 -11.846 185 H LEU 24 HN LEU 24 35.949 15.397 -12.382 186 HA LEU 24 HA LEU 24 34.102 17.600 -12.861 187 HB2 LEU 24 HB2 LEU 24 34.114 16.573 -10.682 188 HB3 LEU 24 HB1 LEU 24 35.866 16.814 -10.509 189 HG LEU 24 HG LEU 24 35.598 19.216 -10.321 190 HD11 LEU 24 HD11 LEU 24 33.180 20.155 -10.345 191 HD12 LEU 24 HD12 LEU 24 32.731 18.642 -11.168 192 HD13 LEU 24 HD13 LEU 24 33.906 19.750 -11.917 193 HD21 LEU 24 HD21 LEU 24 35.061 17.747 -8.318 194 HD22 LEU 24 HD22 LEU 24 33.338 17.945 -8.719 195 HD23 LEU 24 HD23 LEU 24 34.317 19.363 -8.273 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 56.736 3.406 -4.842 2 H2 GLY 1 HT2 GLY 1 58.341 2.866 -4.690 3 H3 GLY 1 HT3 GLY 1 57.578 3.655 -3.392 4 HA2 GLY 1 HA1 GLY 1 56.544 1.156 -4.526 5 HA3 GLY 1 HA2 GLY 1 57.803 1.172 -3.274 6 H LYS 2 HN LYS 2 56.724 0.368 -1.557 7 HA LYS 2 HA LYS 2 54.014 1.287 -0.908 8 HB2 LYS 2 HB2 LYS 2 55.063 -1.038 -0.444 9 HB3 LYS 2 HB1 LYS 2 55.890 -0.254 0.920 10 HG2 LYS 2 HG2 LYS 2 53.767 0.374 1.929 11 HG3 LYS 2 HG1 LYS 2 52.867 -0.177 0.499 12 HD2 LYS 2 HD2 LYS 2 52.768 -1.852 2.325 13 HD3 LYS 2 HD1 LYS 2 53.610 -2.495 0.897 14 HE2 LYS 2 HE2 LYS 2 55.224 -1.164 3.092 15 HE3 LYS 2 HE1 LYS 2 54.666 -2.841 3.300 16 HZ1 LYS 2 HZ1 LYS 2 55.863 -2.205 0.724 17 HZ2 LYS 2 HZ2 LYS 2 56.027 -3.589 1.694 18 HZ3 LYS 2 HZ3 LYS 2 56.920 -2.188 2.050 19 H GLY 3 HN GLY 3 55.542 3.515 -1.140 20 HA2 GLY 3 HA1 GLY 3 56.965 4.651 0.951 21 HA3 GLY 3 HA2 GLY 3 55.622 5.570 0.121 22 H ARG 4 HN ARG 4 53.771 4.752 0.245 23 HA ARG 4 HA ARG 4 53.613 6.563 1.838 24 HB2 ARG 4 HB2 ARG 4 51.076 4.921 1.322 25 HB3 ARG 4 HB1 ARG 4 51.171 6.661 1.672 26 HG2 ARG 4 HG2 ARG 4 51.123 6.835 -0.644 27 HG3 ARG 4 HG1 ARG 4 52.870 6.560 -0.481 28 HD2 ARG 4 HD2 ARG 4 51.866 5.081 -2.204 29 HD3 ARG 4 HD1 ARG 4 52.522 4.130 -0.854 30 HE ARG 4 HE ARG 4 50.334 3.306 -0.615 31 HH11 ARG 4 HH11 ARG 4 50.037 5.814 -2.787 32 HH12 ARG 4 HH12 ARG 4 48.436 6.279 -2.320 33 HH21 ARG 4 HH21 ARG 4 48.370 4.229 0.476 34 HH22 ARG 4 HH22 ARG 4 47.491 5.381 -0.473 35 H TRP 5 HN TRP 5 53.903 3.499 2.647 36 HA TRP 5 HA TRP 5 52.384 2.732 4.848 37 HB2 TRP 5 HB2 TRP 5 54.303 1.428 3.973 38 HB3 TRP 5 HB1 TRP 5 55.424 2.584 4.725 39 HD1 TRP 5 HD1 TRP 5 52.285 0.683 6.024 40 HE1 TRP 5 HE1 TRP 5 52.846 -0.379 8.328 41 HE3 TRP 5 HE3 TRP 5 57.164 2.183 6.440 42 HZ2 TRP 5 HZ2 TRP 5 55.117 -0.540 10.088 43 HZ3 TRP 5 HZ3 TRP 5 58.508 1.560 8.441 44 HH2 TRP 5 HH2 TRP 5 57.491 0.202 10.264 45 H LEU 6 HN LEU 6 54.415 5.512 4.618 46 HA LEU 6 HA LEU 6 54.101 6.054 7.569 47 HB2 LEU 6 HB2 LEU 6 56.138 7.296 5.683 48 HB3 LEU 6 HB1 LEU 6 56.089 7.395 7.458 49 HG LEU 6 HG LEU 6 56.487 4.817 5.870 50 HD11 LEU 6 HD11 LEU 6 58.828 4.970 6.538 51 HD12 LEU 6 HD12 LEU 6 58.507 6.459 7.459 52 HD13 LEU 6 HD13 LEU 6 58.377 6.464 5.683 53 HD21 LEU 6 HD21 LEU 6 55.538 4.249 7.990 54 HD22 LEU 6 HD22 LEU 6 56.465 5.510 8.838 55 HD23 LEU 6 HD23 LEU 6 57.290 4.059 8.222 56 H GLU 7 HN GLU 7 53.359 7.035 4.291 57 HA GLU 7 HA GLU 7 52.559 9.772 5.204 58 HB2 GLU 7 HB2 GLU 7 53.844 9.177 2.991 59 HB3 GLU 7 HB1 GLU 7 52.249 8.674 2.387 60 HG2 GLU 7 HG2 GLU 7 51.381 10.971 3.103 61 HG3 GLU 7 HG1 GLU 7 53.074 11.430 3.402 62 H ARG 8 HN ARG 8 51.186 7.323 6.140 63 HA ARG 8 HA ARG 8 48.732 6.948 4.708 64 HB2 ARG 8 HB2 ARG 8 49.692 5.471 6.546 65 HB3 ARG 8 HB1 ARG 8 49.116 6.684 7.713 66 HG2 ARG 8 HG2 ARG 8 46.808 6.421 6.865 67 HG3 ARG 8 HG1 ARG 8 47.375 5.221 5.679 68 HD2 ARG 8 HD2 ARG 8 46.489 3.998 7.568 69 HD3 ARG 8 HD1 ARG 8 48.262 3.853 7.628 70 HE ARG 8 HE ARG 8 47.502 6.121 9.181 71 HH11 ARG 8 HH11 ARG 8 49.262 3.881 10.140 72 HH12 ARG 8 HH12 ARG 8 48.303 3.188 11.405 73 HH21 ARG 8 HH21 ARG 8 45.366 4.719 10.378 74 HH22 ARG 8 HH22 ARG 8 46.097 3.662 11.539 75 H ILE 9 HN ILE 9 46.669 7.795 4.988 76 HA ILE 9 HA ILE 9 46.141 9.865 6.951 77 HB ILE 9 HB ILE 9 47.425 11.332 5.543 78 HG12 ILE 9 HG12 ILE 9 45.787 12.982 4.848 79 HG13 ILE 9 HG11 ILE 9 44.516 11.748 4.706 80 HG21 ILE 9 HG21 ILE 9 47.300 9.739 3.516 81 HG22 ILE 9 HG22 ILE 9 47.284 11.482 3.176 82 HG23 ILE 9 HG23 ILE 9 45.773 10.554 3.110 83 HD11 ILE 9 HD1 ILE 9 44.384 11.446 7.060 84 HD12 ILE 9 HD2 ILE 9 44.546 13.206 6.856 85 HD13 ILE 9 HD3 ILE 9 45.956 12.234 7.340 86 H GLY 10 HN GLY 10 44.322 8.758 7.477 87 HA2 GLY 10 HA1 GLY 10 42.447 7.852 5.419 88 HA3 GLY 10 HA2 GLY 10 42.232 7.765 7.178 89 H LYS 11 HN LYS 11 43.105 10.805 5.694 90 HA LYS 11 HA LYS 11 40.282 11.715 5.546 91 HB2 LYS 11 HB2 LYS 11 42.288 12.824 7.551 92 HB3 LYS 11 HB1 LYS 11 40.802 13.675 7.067 93 HG2 LYS 11 HG2 LYS 11 39.508 11.586 7.763 94 HG3 LYS 11 HG1 LYS 11 41.025 10.978 8.469 95 HD2 LYS 11 HD2 LYS 11 41.176 13.049 9.860 96 HD3 LYS 11 HD1 LYS 11 39.607 13.576 9.203 97 HE2 LYS 11 HE2 LYS 11 40.041 10.934 10.660 98 HE3 LYS 11 HE1 LYS 11 39.442 12.415 11.443 99 HZ1 LYS 11 HZ1 LYS 11 37.462 11.563 10.834 100 HZ2 LYS 11 HZ2 LYS 11 38.107 10.619 9.578 101 HZ3 LYS 11 HZ3 LYS 11 37.820 12.276 9.338 102 H ALA 12 HN ALA 12 41.218 11.690 3.292 103 HA ALA 12 HA ALA 12 43.167 13.816 2.689 104 HB1 ALA 12 HB1 ALA 12 41.501 11.929 0.994 105 HB2 ALA 12 HB2 ALA 12 43.249 11.853 1.322 106 HB3 ALA 12 HB3 ALA 12 42.589 13.158 0.307 107 H GLY 13 HN GLY 13 41.041 14.893 4.100 108 HA2 GLY 13 HA1 GLY 13 39.459 16.578 3.982 109 HA3 GLY 13 HA2 GLY 13 40.276 17.070 2.484 110 H PHE 14 HN PHE 14 38.729 13.944 3.004 111 HA PHE 14 HA PHE 14 36.843 12.991 2.077 112 HB2 PHE 14 HB2 PHE 14 35.786 15.256 2.834 113 HB3 PHE 14 HB1 PHE 14 35.874 15.708 1.117 114 HD1 PHE 14 HD1 PHE 14 34.342 14.791 -0.494 115 HD2 PHE 14 HD2 PHE 14 34.495 13.185 3.510 116 HE1 PHE 14 HE1 PHE 14 32.272 13.480 -0.940 117 HE2 PHE 14 HE2 PHE 14 32.423 11.876 3.064 118 HZ PHE 14 HZ PHE 14 31.340 11.983 0.821 119 H ILE 15 HN ILE 15 39.045 12.710 0.649 120 HA ILE 15 HA ILE 15 39.793 12.215 -1.453 121 HB ILE 15 HB ILE 15 36.990 12.781 -2.502 122 HG12 ILE 15 HG12 ILE 15 38.105 10.296 -1.120 123 HG13 ILE 15 HG11 ILE 15 36.779 11.326 -0.538 124 HG21 ILE 15 HG21 ILE 15 39.048 10.711 -3.368 125 HG22 ILE 15 HG22 ILE 15 38.950 12.336 -4.081 126 HG23 ILE 15 HG23 ILE 15 37.578 11.220 -4.233 127 HD11 ILE 15 HD1 ILE 15 35.619 10.755 -2.809 128 HD12 ILE 15 HD2 ILE 15 35.659 9.499 -1.549 129 HD13 ILE 15 HD3 ILE 15 36.805 9.430 -2.908 130 H ILE 16 HN ILE 16 40.865 14.300 -0.957 131 HA ILE 16 HA ILE 16 40.412 16.159 -3.272 132 HB ILE 16 HB ILE 16 41.003 16.951 -0.389 133 HG12 ILE 16 HG12 ILE 16 38.555 16.406 -1.087 134 HG13 ILE 16 HG11 ILE 16 38.862 17.951 -0.279 135 HG21 ILE 16 HG21 ILE 16 40.942 18.571 -2.968 136 HG22 ILE 16 HG22 ILE 16 42.289 18.396 -1.821 137 HG23 ILE 16 HG23 ILE 16 40.843 19.318 -1.356 138 HD11 ILE 16 HD1 ILE 16 38.705 19.175 -2.344 139 HD12 ILE 16 HD2 ILE 16 37.323 18.061 -2.311 140 HD13 ILE 16 HD3 ILE 16 38.735 17.690 -3.316 141 H ILE 17 HN ILE 17 42.564 15.272 -0.531 142 HA ILE 17 HA ILE 17 44.959 16.150 -1.939 143 HB ILE 17 HB ILE 17 44.748 14.140 0.350 144 HG12 ILE 17 HG12 ILE 17 43.597 16.126 1.083 145 HG13 ILE 17 HG11 ILE 17 45.207 16.166 1.825 146 HG21 ILE 17 HG21 ILE 17 47.099 15.260 0.818 147 HG22 ILE 17 HG22 ILE 17 47.021 15.722 -0.897 148 HG23 ILE 17 HG23 ILE 17 46.955 14.011 -0.435 149 HD11 ILE 17 HD1 ILE 17 45.891 17.619 -0.233 150 HD12 ILE 17 HD2 ILE 17 44.883 18.373 1.019 151 HD13 ILE 17 HD3 ILE 17 44.145 17.809 -0.495 152 H GLY 18 HN GLY 18 43.276 13.069 -1.381 153 HA2 GLY 18 HA1 GLY 18 45.245 11.509 -2.857 154 HA3 GLY 18 HA2 GLY 18 43.649 10.964 -2.296 155 H GLY 19 HN GLY 19 41.874 12.603 -3.474 156 HA2 GLY 19 HA1 GLY 19 41.820 11.601 -6.169 157 HA3 GLY 19 HA2 GLY 19 40.747 12.839 -5.492 158 H ALA 20 HN ALA 20 42.824 14.692 -4.749 159 HA ALA 20 HA ALA 20 43.868 16.529 -5.697 160 HB1 ALA 20 HB1 ALA 20 45.508 16.065 -7.477 161 HB2 ALA 20 HB2 ALA 20 44.800 14.448 -7.705 162 HB3 ALA 20 HB3 ALA 20 45.601 14.861 -6.171 163 H LEU 21 HN LEU 21 41.230 15.187 -6.986 164 HA LEU 21 HA LEU 21 39.807 15.707 -8.760 165 HB2 LEU 21 HB2 LEU 21 40.938 18.513 -8.514 166 HB3 LEU 21 HB1 LEU 21 39.278 18.017 -8.921 167 HG LEU 21 HG LEU 21 40.665 17.652 -6.228 168 HD11 LEU 21 HD11 LEU 21 38.960 19.258 -5.445 169 HD12 LEU 21 HD12 LEU 21 38.304 19.380 -7.095 170 HD13 LEU 21 HD13 LEU 21 39.945 19.974 -6.743 171 HD21 LEU 21 HD21 LEU 21 39.205 15.773 -6.488 172 HD22 LEU 21 HD22 LEU 21 37.961 16.748 -7.306 173 HD23 LEU 21 HD23 LEU 21 38.256 16.959 -5.564 174 H ASP 22 HN ASP 22 41.119 14.417 -10.254 175 HA ASP 22 HA ASP 22 41.723 15.959 -12.634 176 HB2 ASP 22 HB2 ASP 22 44.112 15.410 -12.816 177 HB3 ASP 22 HB1 ASP 22 43.809 16.398 -11.368 178 H HIS 23 HN HIS 23 39.978 13.837 -11.950 179 HA HIS 23 HA HIS 23 39.314 11.765 -12.747 180 HB2 HIS 23 HB2 HIS 23 41.471 12.112 -14.859 181 HB3 HIS 23 HB1 HIS 23 39.968 11.167 -14.978 182 HD1 HIS 23 HD1 HIS 23 38.365 13.618 -13.408 183 HD2 HIS 23 HD2 HIS 23 40.445 13.734 -17.060 184 HE1 HIS 23 HE1 HIS 23 37.476 15.617 -14.726 185 H LEU 24 HN LEU 24 41.298 11.843 -10.677 186 HA LEU 24 HA LEU 24 42.200 9.083 -10.858 187 HB2 LEU 24 HB2 LEU 24 43.919 10.589 -12.187 188 HB3 LEU 24 HB1 LEU 24 44.472 11.075 -10.571 189 HG LEU 24 HG LEU 24 44.303 8.214 -11.630 190 HD11 LEU 24 HD11 LEU 24 46.719 8.280 -11.658 191 HD12 LEU 24 HD12 LEU 24 46.743 9.874 -10.865 192 HD13 LEU 24 HD13 LEU 24 46.144 9.717 -12.535 193 HD21 LEU 24 HD21 LEU 24 43.913 8.044 -9.291 194 HD22 LEU 24 HD22 LEU 24 45.016 9.391 -8.914 195 HD23 LEU 24 HD23 LEU 24 45.670 7.819 -9.436 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 62.186 5.027 0.188 2 H2 GLY 1 HT2 GLY 1 62.117 6.433 -0.764 3 H3 GLY 1 HT3 GLY 1 62.414 4.925 -1.488 4 HA2 GLY 1 HA1 GLY 1 59.976 6.194 -0.875 5 HA3 GLY 1 HA2 GLY 1 60.297 4.777 -1.895 6 H LYS 2 HN LYS 2 58.124 4.242 -0.878 7 HA LYS 2 HA LYS 2 56.891 3.009 0.658 8 HB2 LYS 2 HB2 LYS 2 59.507 1.639 1.364 9 HB3 LYS 2 HB1 LYS 2 57.865 0.952 1.345 10 HG2 LYS 2 HG2 LYS 2 59.470 1.883 -1.077 11 HG3 LYS 2 HG1 LYS 2 59.095 0.199 -0.638 12 HD2 LYS 2 HD2 LYS 2 56.601 0.918 -0.752 13 HD3 LYS 2 HD1 LYS 2 57.191 2.374 -1.589 14 HE2 LYS 2 HE2 LYS 2 56.644 0.798 -3.313 15 HE3 LYS 2 HE1 LYS 2 58.420 0.797 -3.193 16 HZ1 LYS 2 HZ1 LYS 2 56.705 -1.369 -2.922 17 HZ2 LYS 2 HZ2 LYS 2 57.314 -1.065 -1.366 18 HZ3 LYS 2 HZ3 LYS 2 58.379 -1.341 -2.660 19 H GLY 3 HN GLY 3 56.976 2.073 3.051 20 HA2 GLY 3 HA1 GLY 3 58.071 2.665 5.314 21 HA3 GLY 3 HA2 GLY 3 57.913 4.409 4.804 22 H ARG 4 HN ARG 4 56.364 4.941 3.692 23 HA ARG 4 HA ARG 4 55.632 5.688 5.881 24 HB2 ARG 4 HB2 ARG 4 54.014 6.332 3.368 25 HB3 ARG 4 HB1 ARG 4 53.963 7.279 4.877 26 HG2 ARG 4 HG2 ARG 4 56.388 7.700 4.720 27 HG3 ARG 4 HG1 ARG 4 56.478 6.713 3.240 28 HD2 ARG 4 HD2 ARG 4 55.039 8.265 2.043 29 HD3 ARG 4 HD1 ARG 4 54.730 9.194 3.530 30 HE ARG 4 HE ARG 4 57.515 9.222 3.202 31 HH11 ARG 4 HH11 ARG 4 58.414 11.145 2.389 32 HH12 ARG 4 HH12 ARG 4 57.582 11.999 1.133 33 HH21 ARG 4 HH21 ARG 4 54.834 9.883 1.152 34 HH22 ARG 4 HH22 ARG 4 55.554 11.285 0.434 35 H TRP 5 HN TRP 5 54.516 3.095 4.418 36 HA TRP 5 HA TRP 5 51.780 2.687 4.653 37 HB2 TRP 5 HB2 TRP 5 53.481 0.954 4.015 38 HB3 TRP 5 HB1 TRP 5 53.851 0.743 5.742 39 HD1 TRP 5 HD1 TRP 5 52.229 -0.677 7.163 40 HE1 TRP 5 HE1 TRP 5 50.064 -2.038 6.688 41 HE3 TRP 5 HE3 TRP 5 51.257 0.984 2.420 42 HZ2 TRP 5 HZ2 TRP 5 48.187 -2.340 4.525 43 HZ3 TRP 5 HZ3 TRP 5 49.274 0.146 1.170 44 HH2 TRP 5 HH2 TRP 5 47.739 -1.512 2.217 45 H LEU 6 HN LEU 6 53.979 3.439 7.210 46 HA LEU 6 HA LEU 6 51.903 2.814 9.295 47 HB2 LEU 6 HB2 LEU 6 54.049 1.723 9.698 48 HB3 LEU 6 HB1 LEU 6 54.913 3.258 9.481 49 HG LEU 6 HG LEU 6 53.854 4.189 11.494 50 HD11 LEU 6 HD11 LEU 6 51.672 3.255 11.580 51 HD12 LEU 6 HD12 LEU 6 52.505 2.464 12.936 52 HD13 LEU 6 HD13 LEU 6 52.274 1.590 11.401 53 HD21 LEU 6 HD21 LEU 6 54.937 1.373 11.950 54 HD22 LEU 6 HD22 LEU 6 54.861 2.667 13.170 55 HD23 LEU 6 HD23 LEU 6 55.917 2.845 11.747 56 H GLU 7 HN GLU 7 53.773 5.351 7.682 57 HA GLU 7 HA GLU 7 52.806 7.377 9.678 58 HB2 GLU 7 HB2 GLU 7 54.827 7.496 7.406 59 HB3 GLU 7 HB1 GLU 7 54.325 8.908 8.366 60 HG2 GLU 7 HG2 GLU 7 56.372 8.010 9.334 61 HG3 GLU 7 HG1 GLU 7 55.027 7.658 10.446 62 H ARG 8 HN ARG 8 51.485 5.845 7.177 63 HA ARG 8 HA ARG 8 50.763 7.754 5.245 64 HB2 ARG 8 HB2 ARG 8 50.186 5.310 5.210 65 HB3 ARG 8 HB1 ARG 8 48.927 5.633 6.425 66 HG2 ARG 8 HG2 ARG 8 47.756 7.130 4.916 67 HG3 ARG 8 HG1 ARG 8 49.084 7.050 3.732 68 HD2 ARG 8 HD2 ARG 8 47.295 5.562 2.998 69 HD3 ARG 8 HD1 ARG 8 48.679 4.574 3.527 70 HE ARG 8 HE ARG 8 47.111 4.797 5.807 71 HH11 ARG 8 HH11 ARG 8 46.894 2.232 5.625 72 HH12 ARG 8 HH12 ARG 8 45.526 1.797 4.655 73 HH21 ARG 8 HH21 ARG 8 45.212 4.938 3.217 74 HH22 ARG 8 HH22 ARG 8 44.574 3.329 3.291 75 H ILE 9 HN ILE 9 49.872 9.690 5.416 76 HA ILE 9 HA ILE 9 48.690 10.671 7.826 77 HB ILE 9 HB ILE 9 47.911 12.584 6.425 78 HG12 ILE 9 HG12 ILE 9 48.927 10.813 4.152 79 HG13 ILE 9 HG11 ILE 9 47.253 11.355 4.407 80 HG21 ILE 9 HG21 ILE 9 50.332 12.276 7.239 81 HG22 ILE 9 HG22 ILE 9 50.103 13.385 5.869 82 HG23 ILE 9 HG23 ILE 9 50.714 11.738 5.586 83 HD11 ILE 9 HD1 ILE 9 48.227 13.770 4.286 84 HD12 ILE 9 HD2 ILE 9 48.090 12.851 2.768 85 HD13 ILE 9 HD3 ILE 9 49.667 12.998 3.579 86 H GLY 10 HN GLY 10 47.362 8.976 5.043 87 HA2 GLY 10 HA1 GLY 10 45.198 8.303 4.562 88 HA3 GLY 10 HA2 GLY 10 45.031 8.121 6.321 89 H LYS 11 HN LYS 11 45.366 10.930 4.111 90 HA LYS 11 HA LYS 11 42.631 11.817 4.684 91 HB2 LYS 11 HB2 LYS 11 43.911 12.478 6.760 92 HB3 LYS 11 HB1 LYS 11 44.930 13.512 5.730 93 HG2 LYS 11 HG2 LYS 11 42.968 14.791 5.006 94 HG3 LYS 11 HG1 LYS 11 41.892 13.712 5.929 95 HD2 LYS 11 HD2 LYS 11 43.109 14.370 8.026 96 HD3 LYS 11 HD1 LYS 11 44.053 15.537 7.070 97 HE2 LYS 11 HE2 LYS 11 41.952 16.670 6.385 98 HE3 LYS 11 HE1 LYS 11 41.018 15.515 7.366 99 HZ1 LYS 11 HZ1 LYS 11 41.330 16.903 9.054 100 HZ2 LYS 11 HZ2 LYS 11 42.443 17.847 8.185 101 HZ3 LYS 11 HZ3 LYS 11 42.972 16.478 9.043 102 H ALA 12 HN ALA 12 42.720 11.591 2.342 103 HA ALA 12 HA ALA 12 44.449 13.468 0.860 104 HB1 ALA 12 HB1 ALA 12 43.830 11.176 0.035 105 HB2 ALA 12 HB2 ALA 12 43.455 12.490 -1.104 106 HB3 ALA 12 HB3 ALA 12 42.155 11.750 -0.140 107 H GLY 13 HN GLY 13 43.087 15.003 2.583 108 HA2 GLY 13 HA1 GLY 13 41.567 16.744 2.754 109 HA3 GLY 13 HA2 GLY 13 41.846 16.940 1.011 110 H PHE 14 HN PHE 14 40.252 14.368 2.936 111 HA PHE 14 HA PHE 14 38.127 13.474 2.766 112 HB2 PHE 14 HB2 PHE 14 37.568 15.944 3.246 113 HB3 PHE 14 HB1 PHE 14 37.233 16.094 1.507 114 HD1 PHE 14 HD1 PHE 14 35.109 15.447 0.653 115 HD2 PHE 14 HD2 PHE 14 36.372 14.022 4.529 116 HE1 PHE 14 HE1 PHE 14 32.854 14.452 1.024 117 HE2 PHE 14 HE2 PHE 14 34.117 13.028 4.896 118 HZ PHE 14 HZ PHE 14 32.360 13.242 3.145 119 H ILE 15 HN ILE 15 39.826 12.703 0.802 120 HA ILE 15 HA ILE 15 39.848 11.721 -1.285 121 HB ILE 15 HB ILE 15 36.842 12.182 -1.433 122 HG12 ILE 15 HG12 ILE 15 38.393 9.990 0.023 123 HG13 ILE 15 HG11 ILE 15 37.365 11.230 0.780 124 HG21 ILE 15 HG21 ILE 15 36.849 10.257 -2.860 125 HG22 ILE 15 HG22 ILE 15 38.520 9.836 -2.411 126 HG23 ILE 15 HG23 ILE 15 38.200 11.268 -3.417 127 HD11 ILE 15 HD1 ILE 15 36.536 8.887 -0.964 128 HD12 ILE 15 HD2 ILE 15 35.466 10.295 -0.747 129 HD13 ILE 15 HD3 ILE 15 35.958 9.325 0.659 130 H ILE 16 HN ILE 16 40.961 13.826 -1.771 131 HA ILE 16 HA ILE 16 39.541 15.123 -4.076 132 HB ILE 16 HB ILE 16 41.078 16.535 -1.848 133 HG12 ILE 16 HG12 ILE 16 38.524 15.994 -1.650 134 HG13 ILE 16 HG11 ILE 16 39.065 17.647 -1.311 135 HG21 ILE 16 HG21 ILE 16 40.246 17.530 -4.600 136 HG22 ILE 16 HG22 ILE 16 41.863 17.559 -3.858 137 HG23 ILE 16 HG23 ILE 16 40.586 18.633 -3.245 138 HD11 ILE 16 HD1 ILE 16 36.972 17.399 -2.786 139 HD12 ILE 16 HD2 ILE 16 38.056 16.827 -4.069 140 HD13 ILE 16 HD3 ILE 16 38.251 18.462 -3.406 141 H ILE 17 HN ILE 17 42.714 15.369 -2.389 142 HA ILE 17 HA ILE 17 44.113 15.481 -4.924 143 HB ILE 17 HB ILE 17 45.104 16.499 -2.912 144 HG12 ILE 17 HG12 ILE 17 47.367 15.586 -3.045 145 HG13 ILE 17 HG11 ILE 17 46.764 14.057 -3.716 146 HG21 ILE 17 HG21 ILE 17 45.786 15.196 -0.997 147 HG22 ILE 17 HG22 ILE 17 45.386 13.670 -1.823 148 HG23 ILE 17 HG23 ILE 17 44.089 14.786 -1.339 149 HD11 ILE 17 HD1 ILE 17 47.752 15.863 -5.354 150 HD12 ILE 17 HD2 ILE 17 46.188 16.683 -5.134 151 HD13 ILE 17 HD3 ILE 17 46.244 15.035 -5.807 152 H GLY 18 HN GLY 18 42.976 12.968 -2.809 153 HA2 GLY 18 HA1 GLY 18 44.717 10.886 -3.945 154 HA3 GLY 18 HA2 GLY 18 43.397 10.666 -2.779 155 H GLY 19 HN GLY 19 41.158 11.439 -3.849 156 HA2 GLY 19 HA1 GLY 19 40.679 9.473 -5.914 157 HA3 GLY 19 HA2 GLY 19 39.516 10.659 -5.292 158 H ALA 20 HN ALA 20 41.237 12.965 -5.890 159 HA ALA 20 HA ALA 20 41.371 14.491 -7.636 160 HB1 ALA 20 HB1 ALA 20 42.558 13.683 -9.646 161 HB2 ALA 20 HB2 ALA 20 42.312 12.004 -9.107 162 HB3 ALA 20 HB3 ALA 20 43.328 13.108 -8.149 163 H LEU 21 HN LEU 21 38.792 13.235 -7.233 164 HA LEU 21 HA LEU 21 37.652 12.475 -9.761 165 HB2 LEU 21 HB2 LEU 21 35.553 12.525 -8.664 166 HB3 LEU 21 HB1 LEU 21 36.713 12.067 -7.402 167 HG LEU 21 HG LEU 21 35.476 14.824 -7.852 168 HD11 LEU 21 HD11 LEU 21 34.489 14.447 -5.658 169 HD12 LEU 21 HD12 LEU 21 35.381 12.917 -5.477 170 HD13 LEU 21 HD13 LEU 21 34.100 13.062 -6.704 171 HD21 LEU 21 HD21 LEU 21 36.769 15.389 -5.721 172 HD22 LEU 21 HD22 LEU 21 37.772 15.201 -7.175 173 HD23 LEU 21 HD23 LEU 21 37.692 13.891 -5.973 174 H ASP 22 HN ASP 22 39.045 15.328 -8.991 175 HA ASP 22 HA ASP 22 37.162 17.309 -9.786 176 HB2 ASP 22 HB2 ASP 22 39.366 17.802 -8.759 177 HB3 ASP 22 HB1 ASP 22 40.170 17.267 -10.255 178 H HIS 23 HN HIS 23 39.092 15.020 -11.623 179 HA HIS 23 HA HIS 23 37.487 15.398 -13.991 180 HB2 HIS 23 HB2 HIS 23 38.889 17.475 -14.113 181 HB3 HIS 23 HB1 HIS 23 40.341 16.445 -14.163 182 HD1 HIS 23 HD1 HIS 23 37.197 15.309 -15.904 183 HD2 HIS 23 HD2 HIS 23 40.852 17.144 -16.893 184 HE1 HIS 23 HE1 HIS 23 37.405 15.269 -18.451 185 H LEU 24 HN LEU 24 38.768 13.430 -12.074 186 HA LEU 24 HA LEU 24 39.379 11.417 -14.085 187 HB2 LEU 24 HB2 LEU 24 41.563 12.430 -14.124 188 HB3 LEU 24 HB1 LEU 24 41.615 12.541 -12.353 189 HG LEU 24 HG LEU 24 41.796 10.134 -12.128 190 HD11 LEU 24 HD11 LEU 24 40.315 9.275 -13.792 191 HD12 LEU 24 HD12 LEU 24 41.930 8.736 -14.308 192 HD13 LEU 24 HD13 LEU 24 41.160 10.130 -15.105 193 HD21 LEU 24 HD21 LEU 24 43.561 11.039 -14.446 194 HD22 LEU 24 HD22 LEU 24 43.912 9.724 -13.299 195 HD23 LEU 24 HD23 LEU 24 43.864 11.411 -12.732 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 56.698 -1.977 -1.058 2 H2 GLY 1 HT2 GLY 1 56.361 -1.582 0.560 3 H3 GLY 1 HT3 GLY 1 56.990 -3.111 0.166 4 HA2 GLY 1 HA1 GLY 1 58.970 -2.346 0.560 5 HA3 GLY 1 HA2 GLY 1 58.763 -1.360 -0.901 6 H LYS 2 HN LYS 2 57.639 -1.360 2.515 7 HA LYS 2 HA LYS 2 57.542 0.368 4.049 8 HB2 LYS 2 HB2 LYS 2 60.065 0.366 3.318 9 HB3 LYS 2 HB1 LYS 2 59.653 1.866 2.458 10 HG2 LYS 2 HG2 LYS 2 58.832 2.862 4.571 11 HG3 LYS 2 HG1 LYS 2 59.197 1.351 5.435 12 HD2 LYS 2 HD2 LYS 2 61.572 1.585 4.966 13 HD3 LYS 2 HD1 LYS 2 61.269 2.994 3.921 14 HE2 LYS 2 HE2 LYS 2 60.296 4.192 5.907 15 HE3 LYS 2 HE1 LYS 2 60.775 2.812 6.924 16 HZ1 LYS 2 HZ1 LYS 2 62.491 4.738 5.479 17 HZ2 LYS 2 HZ2 LYS 2 63.081 3.201 5.895 18 HZ3 LYS 2 HZ3 LYS 2 62.551 4.266 7.107 19 H GLY 3 HN GLY 3 56.274 0.491 1.172 20 HA2 GLY 3 HA1 GLY 3 55.854 3.063 0.201 21 HA3 GLY 3 HA2 GLY 3 54.457 1.913 0.429 22 H ARG 4 HN ARG 4 54.052 1.263 2.263 23 HA ARG 4 HA ARG 4 52.357 2.975 1.995 24 HB2 ARG 4 HB2 ARG 4 52.451 1.083 4.391 25 HB3 ARG 4 HB1 ARG 4 50.996 2.009 3.947 26 HG2 ARG 4 HG2 ARG 4 51.101 1.006 1.650 27 HG3 ARG 4 HG1 ARG 4 52.485 0.017 2.175 28 HD2 ARG 4 HD2 ARG 4 49.652 -0.047 3.300 29 HD3 ARG 4 HD1 ARG 4 50.468 -1.328 2.373 30 HE ARG 4 HE ARG 4 50.680 -0.994 5.189 31 HH11 ARG 4 HH11 ARG 4 51.833 -3.009 2.965 32 HH12 ARG 4 HH12 ARG 4 53.460 -3.116 3.548 33 HH21 ARG 4 HH21 ARG 4 53.141 -0.425 5.712 34 HH22 ARG 4 HH22 ARG 4 54.201 -1.652 5.105 35 H TRP 5 HN TRP 5 54.967 3.311 3.786 36 HA TRP 5 HA TRP 5 54.566 4.625 6.201 37 HB2 TRP 5 HB2 TRP 5 56.787 4.306 5.167 38 HB3 TRP 5 HB1 TRP 5 56.421 5.583 3.983 39 HD1 TRP 5 HD1 TRP 5 56.206 8.089 4.905 40 HE1 TRP 5 HE1 TRP 5 57.175 9.264 7.013 41 HE3 TRP 5 HE3 TRP 5 57.441 3.944 7.645 42 HZ2 TRP 5 HZ2 TRP 5 58.324 8.480 9.534 43 HZ3 TRP 5 HZ3 TRP 5 58.472 4.181 9.899 44 HH2 TRP 5 HH2 TRP 5 58.914 6.443 10.845 45 H LEU 6 HN LEU 6 53.439 5.639 3.101 46 HA LEU 6 HA LEU 6 52.639 8.324 4.207 47 HB2 LEU 6 HB2 LEU 6 54.200 8.169 2.139 48 HB3 LEU 6 HB1 LEU 6 52.773 7.565 1.270 49 HG LEU 6 HG LEU 6 51.584 9.721 2.300 50 HD11 LEU 6 HD11 LEU 6 54.542 10.479 2.372 51 HD12 LEU 6 HD12 LEU 6 53.411 10.470 3.745 52 HD13 LEU 6 HD13 LEU 6 53.201 11.643 2.430 53 HD21 LEU 6 HD21 LEU 6 51.928 9.346 -0.109 54 HD22 LEU 6 HD22 LEU 6 53.622 9.874 0.032 55 HD23 LEU 6 HD23 LEU 6 52.301 11.036 0.307 56 H GLU 7 HN GLU 7 51.551 5.220 2.957 57 HA GLU 7 HA GLU 7 48.840 6.268 2.345 58 HB2 GLU 7 HB2 GLU 7 49.903 3.417 2.411 59 HB3 GLU 7 HB1 GLU 7 48.335 3.944 1.759 60 HG2 GLU 7 HG2 GLU 7 51.025 4.976 0.763 61 HG3 GLU 7 HG1 GLU 7 50.132 3.637 0.003 62 H ARG 8 HN ARG 8 50.171 6.288 5.119 63 HA ARG 8 HA ARG 8 48.944 4.414 6.837 64 HB2 ARG 8 HB2 ARG 8 49.388 7.371 7.405 65 HB3 ARG 8 HB1 ARG 8 49.245 6.070 8.607 66 HG2 ARG 8 HG2 ARG 8 51.408 6.190 6.455 67 HG3 ARG 8 HG1 ARG 8 51.629 6.767 8.121 68 HD2 ARG 8 HD2 ARG 8 52.480 4.582 8.263 69 HD3 ARG 8 HD1 ARG 8 50.795 4.322 8.767 70 HE ARG 8 HE ARG 8 51.041 4.031 5.906 71 HH11 ARG 8 HH11 ARG 8 52.832 2.564 8.333 72 HH12 ARG 8 HH12 ARG 8 52.325 0.948 7.976 73 HH21 ARG 8 HH21 ARG 8 49.913 1.926 5.686 74 HH22 ARG 8 HH22 ARG 8 50.672 0.586 6.478 75 H ILE 9 HN ILE 9 47.562 6.985 4.983 76 HA ILE 9 HA ILE 9 44.879 6.175 5.747 77 HB ILE 9 HB ILE 9 45.283 7.589 7.701 78 HG12 ILE 9 HG12 ILE 9 43.517 9.252 7.441 79 HG13 ILE 9 HG11 ILE 9 43.677 9.221 5.674 80 HG21 ILE 9 HG21 ILE 9 46.059 9.869 7.548 81 HG22 ILE 9 HG22 ILE 9 45.964 9.845 5.771 82 HG23 ILE 9 HG23 ILE 9 47.189 8.864 6.613 83 HD11 ILE 9 HD1 ILE 9 41.745 7.839 6.778 84 HD12 ILE 9 HD2 ILE 9 43.025 6.681 7.211 85 HD13 ILE 9 HD3 ILE 9 42.709 7.065 5.502 86 H GLY 10 HN GLY 10 47.001 8.648 4.306 87 HA2 GLY 10 HA1 GLY 10 46.830 9.815 2.321 88 HA3 GLY 10 HA2 GLY 10 46.018 8.368 1.695 89 H LYS 11 HN LYS 11 43.701 8.193 1.916 90 HA LYS 11 HA LYS 11 42.316 10.459 1.046 91 HB2 LYS 11 HB2 LYS 11 41.287 8.052 2.593 92 HB3 LYS 11 HB1 LYS 11 40.249 9.230 1.752 93 HG2 LYS 11 HG2 LYS 11 41.257 8.685 -0.391 94 HG3 LYS 11 HG1 LYS 11 42.477 7.653 0.394 95 HD2 LYS 11 HD2 LYS 11 40.616 6.195 1.255 96 HD3 LYS 11 HD1 LYS 11 39.464 7.181 0.321 97 HE2 LYS 11 HE2 LYS 11 41.711 5.420 -0.725 98 HE3 LYS 11 HE1 LYS 11 39.971 5.315 -1.083 99 HZ1 LYS 11 HZ1 LYS 11 40.141 7.509 -2.152 100 HZ2 LYS 11 HZ2 LYS 11 41.117 6.345 -2.911 101 HZ3 LYS 11 HZ3 LYS 11 41.816 7.508 -1.889 102 H ALA 12 HN ALA 12 42.484 12.361 2.102 103 HA ALA 12 HA ALA 12 42.348 12.542 5.000 104 HB1 ALA 12 HB1 ALA 12 42.074 14.598 2.780 105 HB2 ALA 12 HB2 ALA 12 43.509 14.264 3.781 106 HB3 ALA 12 HB3 ALA 12 42.065 15.005 4.513 107 H GLY 13 HN GLY 13 40.124 11.559 2.861 108 HA2 GLY 13 HA1 GLY 13 37.807 11.591 2.757 109 HA3 GLY 13 HA2 GLY 13 37.924 11.571 4.527 110 H PHE 14 HN PHE 14 38.893 14.184 2.279 111 HA PHE 14 HA PHE 14 36.494 15.729 2.781 112 HB2 PHE 14 HB2 PHE 14 37.760 15.818 5.019 113 HB3 PHE 14 HB1 PHE 14 38.980 16.793 4.168 114 HD1 PHE 14 HD1 PHE 14 35.222 16.598 4.565 115 HD2 PHE 14 HD2 PHE 14 38.692 19.143 4.196 116 HE1 PHE 14 HE1 PHE 14 33.781 18.608 4.844 117 HE2 PHE 14 HE2 PHE 14 37.248 21.150 4.475 118 HZ PHE 14 HZ PHE 14 34.780 20.884 4.694 119 H ILE 15 HN ILE 15 39.696 15.299 1.479 120 HA ILE 15 HA ILE 15 39.032 17.190 -0.674 121 HB ILE 15 HB ILE 15 41.236 18.434 -0.448 122 HG12 ILE 15 HG12 ILE 15 41.148 17.234 2.361 123 HG13 ILE 15 HG11 ILE 15 42.292 16.755 1.085 124 HG21 ILE 15 HG21 ILE 15 38.941 19.301 0.331 125 HG22 ILE 15 HG22 ILE 15 40.364 20.064 1.073 126 HG23 ILE 15 HG23 ILE 15 39.440 18.843 1.976 127 HD11 ILE 15 HD1 ILE 15 43.500 18.338 2.378 128 HD12 ILE 15 HD2 ILE 15 42.091 19.409 2.546 129 HD13 ILE 15 HD3 ILE 15 42.930 19.278 0.981 130 H ILE 16 HN ILE 16 39.170 14.566 -0.924 131 HA ILE 16 HA ILE 16 41.598 14.237 -2.620 132 HB ILE 16 HB ILE 16 40.770 12.515 -0.275 133 HG12 ILE 16 HG12 ILE 16 42.719 14.242 -0.275 134 HG13 ILE 16 HG11 ILE 16 43.035 12.631 0.385 135 HG21 ILE 16 HG21 ILE 16 42.359 10.712 -1.293 136 HG22 ILE 16 HG22 ILE 16 42.070 11.535 -2.843 137 HG23 ILE 16 HG23 ILE 16 40.709 10.831 -1.943 138 HD11 ILE 16 HD1 ILE 16 44.327 11.973 -1.487 139 HD12 ILE 16 HD2 ILE 16 44.794 13.670 -1.246 140 HD13 ILE 16 HD3 ILE 16 43.650 13.240 -2.531 141 H ILE 17 HN ILE 17 38.578 12.725 -1.413 142 HA ILE 17 HA ILE 17 38.151 11.254 -3.881 143 HB ILE 17 HB ILE 17 35.708 11.090 -2.851 144 HG12 ILE 17 HG12 ILE 17 35.587 11.533 -0.461 145 HG13 ILE 17 HG11 ILE 17 37.290 12.030 -0.412 146 HG21 ILE 17 HG21 ILE 17 37.276 9.225 -2.822 147 HG22 ILE 17 HG22 ILE 17 36.537 9.375 -1.209 148 HG23 ILE 17 HG23 ILE 17 38.193 9.964 -1.489 149 HD11 ILE 17 HD1 ILE 17 36.846 14.024 -1.666 150 HD12 ILE 17 HD2 ILE 17 35.547 13.919 -0.457 151 HD13 ILE 17 HD3 ILE 17 35.229 13.451 -2.142 152 H GLY 18 HN GLY 18 38.298 14.427 -3.557 153 HA2 GLY 18 HA1 GLY 18 36.623 14.910 -5.879 154 HA3 GLY 18 HA2 GLY 18 35.915 15.592 -4.401 155 H GLY 19 HN GLY 19 38.538 16.110 -3.167 156 HA2 GLY 19 HA1 GLY 19 38.893 18.785 -4.005 157 HA3 GLY 19 HA2 GLY 19 40.067 17.841 -3.067 158 H ALA 20 HN ALA 20 40.351 15.796 -5.178 159 HA ALA 20 HA ALA 20 42.534 17.032 -6.595 160 HB1 ALA 20 HB1 ALA 20 42.786 14.913 -7.680 161 HB2 ALA 20 HB2 ALA 20 41.096 14.467 -7.341 162 HB3 ALA 20 HB3 ALA 20 42.272 14.580 -6.010 163 H LEU 21 HN LEU 21 39.601 15.496 -8.000 164 HA LEU 21 HA LEU 21 38.475 15.982 -9.966 165 HB2 LEU 21 HB2 LEU 21 37.966 18.010 -8.457 166 HB3 LEU 21 HB1 LEU 21 39.179 18.885 -9.415 167 HG LEU 21 HG LEU 21 37.774 17.973 -11.496 168 HD11 LEU 21 HD11 LEU 21 35.326 17.895 -10.945 169 HD12 LEU 21 HD12 LEU 21 35.740 17.905 -9.215 170 HD13 LEU 21 HD13 LEU 21 36.229 16.537 -10.241 171 HD21 LEU 21 HD21 LEU 21 36.354 20.016 -11.392 172 HD22 LEU 21 HD22 LEU 21 38.037 20.358 -10.925 173 HD23 LEU 21 HD23 LEU 21 36.778 20.212 -9.675 174 H ASP 22 HN ASP 22 40.985 15.106 -10.484 175 HA ASP 22 HA ASP 22 41.496 16.316 -13.074 176 HB2 ASP 22 HB2 ASP 22 43.905 16.923 -12.541 177 HB3 ASP 22 HB1 ASP 22 42.679 18.013 -11.850 178 H HIS 23 HN HIS 23 41.129 14.155 -13.703 179 HA HIS 23 HA HIS 23 41.758 11.974 -14.183 180 HB2 HIS 23 HB2 HIS 23 44.569 13.024 -13.672 181 HB3 HIS 23 HB1 HIS 23 44.121 11.595 -14.635 182 HD1 HIS 23 HD1 HIS 23 43.306 15.361 -14.569 183 HD2 HIS 23 HD2 HIS 23 43.803 12.205 -17.306 184 HE1 HIS 23 HE1 HIS 23 43.078 16.345 -16.915 185 H LEU 24 HN LEU 24 41.283 12.816 -11.335 186 HA LEU 24 HA LEU 24 42.015 10.285 -10.134 187 HB2 LEU 24 HB2 LEU 24 44.212 11.247 -9.885 188 HB3 LEU 24 HB1 LEU 24 43.539 12.784 -9.303 189 HG LEU 24 HG LEU 24 42.804 11.769 -7.228 190 HD11 LEU 24 HD11 LEU 24 43.534 9.163 -8.622 191 HD12 LEU 24 HD12 LEU 24 41.984 9.623 -7.875 192 HD13 LEU 24 HD13 LEU 24 43.394 9.269 -6.850 193 HD21 LEU 24 HD21 LEU 24 45.238 12.370 -7.480 194 HD22 LEU 24 HD22 LEU 24 45.571 10.670 -7.890 195 HD23 LEU 24 HD23 LEU 24 44.944 11.091 -6.278 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 60.064 1.451 6.631 2 H2 GLY 1 HT2 GLY 1 61.438 2.316 6.127 3 H3 GLY 1 HT3 GLY 1 61.505 0.626 6.294 4 HA2 GLY 1 HA1 GLY 1 61.280 1.666 3.989 5 HA3 GLY 1 HA2 GLY 1 60.354 0.217 4.422 6 H LYS 2 HN LYS 2 60.032 2.823 2.671 7 HA LYS 2 HA LYS 2 57.731 4.192 3.685 8 HB2 LYS 2 HB2 LYS 2 58.445 3.715 0.766 9 HB3 LYS 2 HB1 LYS 2 57.470 5.046 1.435 10 HG2 LYS 2 HG2 LYS 2 59.550 5.652 2.844 11 HG3 LYS 2 HG1 LYS 2 60.452 4.543 1.786 12 HD2 LYS 2 HD2 LYS 2 58.859 6.993 0.907 13 HD3 LYS 2 HD1 LYS 2 60.632 6.835 0.927 14 HE2 LYS 2 HE2 LYS 2 58.628 5.416 -0.862 15 HE3 LYS 2 HE1 LYS 2 60.027 6.409 -1.332 16 HZ1 LYS 2 HZ1 LYS 2 60.584 4.119 -1.622 17 HZ2 LYS 2 HZ2 LYS 2 60.087 3.725 -0.045 18 HZ3 LYS 2 HZ3 LYS 2 61.459 4.697 -0.289 19 H GLY 3 HN GLY 3 56.246 3.737 1.016 20 HA2 GLY 3 HA1 GLY 3 54.125 2.643 0.617 21 HA3 GLY 3 HA2 GLY 3 55.178 1.143 0.778 22 H ARG 4 HN ARG 4 53.883 3.789 1.852 23 HA ARG 4 HA ARG 4 51.833 2.975 2.212 24 HB2 ARG 4 HB2 ARG 4 53.081 2.136 4.789 25 HB3 ARG 4 HB1 ARG 4 51.508 2.926 5.007 26 HG2 ARG 4 HG2 ARG 4 51.223 0.937 2.874 27 HG3 ARG 4 HG1 ARG 4 52.010 0.161 4.259 28 HD2 ARG 4 HD2 ARG 4 49.487 1.836 4.559 29 HD3 ARG 4 HD1 ARG 4 49.457 0.090 4.228 30 HE ARG 4 HE ARG 4 51.152 0.764 6.504 31 HH11 ARG 4 HH11 ARG 4 49.922 1.134 8.507 32 HH12 ARG 4 HH12 ARG 4 48.471 0.205 8.689 33 HH21 ARG 4 HH21 ARG 4 48.420 -0.861 5.391 34 HH22 ARG 4 HH22 ARG 4 47.622 -0.924 6.927 35 H TRP 5 HN TRP 5 54.185 4.994 2.987 36 HA TRP 5 HA TRP 5 53.366 6.993 4.717 37 HB2 TRP 5 HB2 TRP 5 55.442 6.980 3.242 38 HB3 TRP 5 HB1 TRP 5 54.414 7.595 1.925 39 HD1 TRP 5 HD1 TRP 5 53.328 10.032 2.255 40 HE1 TRP 5 HE1 TRP 5 54.054 12.084 3.679 41 HE3 TRP 5 HE3 TRP 5 56.580 7.692 5.443 42 HZ2 TRP 5 HZ2 TRP 5 55.815 12.604 5.898 43 HZ3 TRP 5 HZ3 TRP 5 57.771 8.986 7.205 44 HH2 TRP 5 HH2 TRP 5 57.392 11.436 7.435 45 H LEU 6 HN LEU 6 51.799 5.942 1.838 46 HA LEU 6 HA LEU 6 49.980 8.334 1.822 47 HB2 LEU 6 HB2 LEU 6 51.065 7.907 -0.324 48 HB3 LEU 6 HB1 LEU 6 50.567 6.203 -0.278 49 HG LEU 6 HG LEU 6 48.199 6.850 -0.436 50 HD11 LEU 6 HD11 LEU 6 49.343 9.656 -0.164 51 HD12 LEU 6 HD12 LEU 6 47.995 8.909 0.728 52 HD13 LEU 6 HD13 LEU 6 47.781 9.383 -0.970 53 HD21 LEU 6 HD21 LEU 6 49.844 8.405 -2.479 54 HD22 LEU 6 HD22 LEU 6 48.225 7.700 -2.713 55 HD23 LEU 6 HD23 LEU 6 49.638 6.637 -2.502 56 H GLU 7 HN GLU 7 50.249 4.897 2.543 57 HA GLU 7 HA GLU 7 47.234 4.711 2.724 58 HB2 GLU 7 HB2 GLU 7 49.441 2.655 2.352 59 HB3 GLU 7 HB1 GLU 7 47.815 2.190 2.909 60 HG2 GLU 7 HG2 GLU 7 48.293 3.837 0.388 61 HG3 GLU 7 HG1 GLU 7 48.209 2.059 0.379 62 H ARG 8 HN ARG 8 49.547 5.813 4.544 63 HA ARG 8 HA ARG 8 49.352 4.094 6.915 64 HB2 ARG 8 HB2 ARG 8 51.346 5.541 6.288 65 HB3 ARG 8 HB1 ARG 8 50.363 6.956 6.734 66 HG2 ARG 8 HG2 ARG 8 50.013 5.934 9.005 67 HG3 ARG 8 HG1 ARG 8 51.133 4.628 8.546 68 HD2 ARG 8 HD2 ARG 8 52.939 6.248 8.194 69 HD3 ARG 8 HD1 ARG 8 51.829 7.596 8.537 70 HE ARG 8 HE ARG 8 52.109 7.142 10.836 71 HH11 ARG 8 HH11 ARG 8 54.733 6.132 10.784 72 HH12 ARG 8 HH12 ARG 8 54.609 4.479 11.284 73 HH21 ARG 8 HH21 ARG 8 51.202 4.273 10.673 74 HH22 ARG 8 HH22 ARG 8 52.610 3.426 11.222 75 H ILE 9 HN ILE 9 48.585 7.581 6.481 76 HA ILE 9 HA ILE 9 46.770 7.582 8.729 77 HB ILE 9 HB ILE 9 46.123 9.849 7.918 78 HG12 ILE 9 HG12 ILE 9 47.899 9.084 5.553 79 HG13 ILE 9 HG11 ILE 9 46.155 9.426 5.500 80 HG21 ILE 9 HG21 ILE 9 49.133 9.466 7.652 81 HG22 ILE 9 HG22 ILE 9 48.288 9.337 9.214 82 HG23 ILE 9 HG23 ILE 9 48.259 10.869 8.310 83 HD11 ILE 9 HD1 ILE 9 48.444 11.353 6.007 84 HD12 ILE 9 HD2 ILE 9 46.780 11.748 6.501 85 HD13 ILE 9 HD3 ILE 9 47.155 11.454 4.787 86 H GLY 10 HN GLY 10 46.395 7.130 5.241 87 HA2 GLY 10 HA1 GLY 10 44.572 6.405 4.017 88 HA3 GLY 10 HA2 GLY 10 43.875 5.818 5.540 89 H LYS 11 HN LYS 11 44.637 9.039 4.135 90 HA LYS 11 HA LYS 11 41.834 9.758 3.941 91 HB2 LYS 11 HB2 LYS 11 42.242 9.841 6.453 92 HB3 LYS 11 HB1 LYS 11 43.389 11.166 6.143 93 HG2 LYS 11 HG2 LYS 11 41.546 12.405 4.952 94 HG3 LYS 11 HG1 LYS 11 40.420 11.119 5.448 95 HD2 LYS 11 HD2 LYS 11 41.009 11.561 7.836 96 HD3 LYS 11 HD1 LYS 11 42.053 12.904 7.306 97 HE2 LYS 11 HE2 LYS 11 39.052 12.673 6.807 98 HE3 LYS 11 HE1 LYS 11 39.832 13.744 7.994 99 HZ1 LYS 11 HZ1 LYS 11 39.420 14.171 5.236 100 HZ2 LYS 11 HZ2 LYS 11 41.091 14.163 5.544 101 HZ3 LYS 11 HZ3 LYS 11 40.073 15.230 6.388 102 H ALA 12 HN ALA 12 43.210 9.967 1.869 103 HA ALA 12 HA ALA 12 45.014 12.217 1.668 104 HB1 ALA 12 HB1 ALA 12 44.858 10.225 0.100 105 HB2 ALA 12 HB2 ALA 12 44.956 11.819 -0.687 106 HB3 ALA 12 HB3 ALA 12 43.392 10.976 -0.574 107 H GLY 13 HN GLY 13 43.691 13.784 2.870 108 HA2 GLY 13 HA1 GLY 13 42.188 15.550 2.978 109 HA3 GLY 13 HA2 GLY 13 42.625 15.786 1.275 110 H PHE 14 HN PHE 14 40.599 13.565 3.254 111 HA PHE 14 HA PHE 14 38.467 12.742 2.843 112 HB2 PHE 14 HB2 PHE 14 38.039 15.316 1.278 113 HB3 PHE 14 HB1 PHE 14 36.807 14.316 2.086 114 HD1 PHE 14 HD1 PHE 14 36.673 14.227 4.564 115 HD2 PHE 14 HD2 PHE 14 39.469 16.822 2.545 116 HE1 PHE 14 HE1 PHE 14 37.019 15.500 6.678 117 HE2 PHE 14 HE2 PHE 14 39.816 18.094 4.659 118 HZ PHE 14 HZ PHE 14 38.654 17.378 6.745 119 H ILE 15 HN ILE 15 40.601 12.052 1.026 120 HA ILE 15 HA ILE 15 40.882 10.962 -0.990 121 HB ILE 15 HB ILE 15 37.848 10.906 -1.225 122 HG12 ILE 15 HG12 ILE 15 38.249 10.098 0.986 123 HG13 ILE 15 HG11 ILE 15 38.086 8.642 -0.012 124 HG21 ILE 15 HG21 ILE 15 40.126 9.247 -2.368 125 HG22 ILE 15 HG22 ILE 15 38.824 10.095 -3.223 126 HG23 ILE 15 HG23 ILE 15 38.462 8.625 -2.295 127 HD11 ILE 15 HD1 ILE 15 40.633 9.887 1.094 128 HD12 ILE 15 HD2 ILE 15 40.660 8.662 -0.196 129 HD13 ILE 15 HD3 ILE 15 39.983 8.261 1.396 130 H ILE 16 HN ILE 16 41.625 13.215 -1.577 131 HA ILE 16 HA ILE 16 40.133 14.048 -4.034 132 HB ILE 16 HB ILE 16 39.527 15.627 -2.175 133 HG12 ILE 16 HG12 ILE 16 40.219 17.728 -3.407 134 HG13 ILE 16 HG11 ILE 16 41.280 16.733 -4.427 135 HG21 ILE 16 HG21 ILE 16 41.982 15.319 -1.163 136 HG22 ILE 16 HG22 ILE 16 41.099 16.848 -0.955 137 HG23 ILE 16 HG23 ILE 16 42.347 16.710 -2.208 138 HD11 ILE 16 HD1 ILE 16 39.477 15.706 -5.534 139 HD12 ILE 16 HD2 ILE 16 38.802 17.320 -5.226 140 HD13 ILE 16 HD3 ILE 16 38.356 15.958 -4.173 141 H ILE 17 HN ILE 17 43.107 13.914 -2.095 142 HA ILE 17 HA ILE 17 44.744 14.675 -4.491 143 HB ILE 17 HB ILE 17 45.640 13.875 -1.682 144 HG12 ILE 17 HG12 ILE 17 44.418 15.941 -1.473 145 HG13 ILE 17 HG11 ILE 17 46.138 16.358 -1.433 146 HG21 ILE 17 HG21 ILE 17 47.769 15.170 -2.582 147 HG22 ILE 17 HG22 ILE 17 47.088 14.802 -4.183 148 HG23 ILE 17 HG23 ILE 17 47.492 13.483 -3.066 149 HD11 ILE 17 HD1 ILE 17 45.182 17.965 -2.895 150 HD12 ILE 17 HD2 ILE 17 44.149 16.764 -3.695 151 HD13 ILE 17 HD3 ILE 17 45.899 16.771 -3.995 152 H GLY 18 HN GLY 18 44.053 11.982 -2.275 153 HA2 GLY 18 HA1 GLY 18 45.852 10.153 -3.681 154 HA3 GLY 18 HA2 GLY 18 44.688 9.742 -2.403 155 H GLY 19 HN GLY 19 42.314 10.669 -3.464 156 HA2 GLY 19 HA1 GLY 19 41.720 8.536 -5.336 157 HA3 GLY 19 HA2 GLY 19 40.604 9.793 -4.767 158 H ALA 20 HN ALA 20 42.178 12.058 -5.566 159 HA ALA 20 HA ALA 20 42.194 13.455 -7.427 160 HB1 ALA 20 HB1 ALA 20 43.673 12.749 -9.188 161 HB2 ALA 20 HB2 ALA 20 43.424 11.033 -8.781 162 HB3 ALA 20 HB3 ALA 20 44.301 12.099 -7.655 163 H LEU 21 HN LEU 21 39.683 12.556 -7.155 164 HA LEU 21 HA LEU 21 38.629 11.069 -9.351 165 HB2 LEU 21 HB2 LEU 21 37.288 11.429 -7.375 166 HB3 LEU 21 HB1 LEU 21 37.403 13.193 -7.547 167 HG LEU 21 HG LEU 21 36.029 13.164 -9.547 168 HD11 LEU 21 HD11 LEU 21 35.052 10.869 -10.280 169 HD12 LEU 21 HD12 LEU 21 36.393 10.148 -9.358 170 HD13 LEU 21 HD13 LEU 21 36.734 11.221 -10.736 171 HD21 LEU 21 HD21 LEU 21 34.926 12.961 -7.272 172 HD22 LEU 21 HD22 LEU 21 34.793 11.209 -7.562 173 HD23 LEU 21 HD23 LEU 21 33.940 12.356 -8.624 174 H ASP 22 HN ASP 22 38.806 11.544 -11.441 175 HA ASP 22 HA ASP 22 38.937 12.793 -13.394 176 HB2 ASP 22 HB2 ASP 22 37.072 14.613 -11.819 177 HB3 ASP 22 HB1 ASP 22 37.357 14.707 -13.573 178 H HIS 23 HN HIS 23 40.636 13.487 -10.854 179 HA HIS 23 HA HIS 23 42.304 15.013 -10.334 180 HB2 HIS 23 HB2 HIS 23 43.007 14.307 -12.653 181 HB3 HIS 23 HB1 HIS 23 42.165 15.743 -13.284 182 HD1 HIS 23 HD1 HIS 23 43.892 15.993 -9.956 183 HD2 HIS 23 HD2 HIS 23 44.651 16.996 -13.969 184 HE1 HIS 23 HE1 HIS 23 45.957 17.498 -9.988 185 H LEU 24 HN LEU 24 39.417 15.855 -10.327 186 HA LEU 24 HA LEU 24 38.198 17.798 -10.014 187 HB2 LEU 24 HB2 LEU 24 39.720 18.171 -8.184 188 HB3 LEU 24 HB1 LEU 24 40.994 18.748 -9.279 189 HG LEU 24 HG LEU 24 39.749 20.765 -9.788 190 HD11 LEU 24 HD11 LEU 24 37.501 21.126 -8.544 191 HD12 LEU 24 HD12 LEU 24 37.492 19.362 -8.304 192 HD13 LEU 24 HD13 LEU 24 37.482 20.039 -9.951 193 HD21 LEU 24 HD21 LEU 24 39.510 20.196 -6.800 194 HD22 LEU 24 HD22 LEU 24 39.633 21.797 -7.569 195 HD23 LEU 24 HD23 LEU 24 41.012 20.674 -7.625 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 61.048 7.237 9.130 2 H2 GLY 1 HT2 GLY 1 59.872 6.264 8.383 3 H3 GLY 1 HT3 GLY 1 59.547 7.004 9.878 4 HA2 GLY 1 HA1 GLY 1 59.147 8.995 9.012 5 HA3 GLY 1 HA2 GLY 1 60.305 8.734 7.692 6 H LYS 2 HN LYS 2 59.554 6.571 6.388 7 HA LYS 2 HA LYS 2 57.055 7.427 5.117 8 HB2 LYS 2 HB2 LYS 2 58.648 4.896 4.577 9 HB3 LYS 2 HB1 LYS 2 57.541 5.749 3.475 10 HG2 LYS 2 HG2 LYS 2 59.087 7.759 3.629 11 HG3 LYS 2 HG1 LYS 2 60.238 6.721 4.507 12 HD2 LYS 2 HD2 LYS 2 60.103 5.101 2.536 13 HD3 LYS 2 HD1 LYS 2 59.211 6.368 1.660 14 HE2 LYS 2 HE2 LYS 2 61.981 6.721 2.888 15 HE3 LYS 2 HE1 LYS 2 61.664 6.409 1.164 16 HZ1 LYS 2 HZ1 LYS 2 61.894 8.747 1.473 17 HZ2 LYS 2 HZ2 LYS 2 60.787 8.762 2.762 18 HZ3 LYS 2 HZ3 LYS 2 60.252 8.439 1.183 19 H GLY 3 HN GLY 3 56.175 6.986 7.541 20 HA2 GLY 3 HA1 GLY 3 55.511 4.470 8.551 21 HA3 GLY 3 HA2 GLY 3 54.284 5.817 8.497 22 H ARG 4 HN ARG 4 53.769 6.567 6.730 23 HA ARG 4 HA ARG 4 51.890 5.095 7.175 24 HB2 ARG 4 HB2 ARG 4 51.924 7.010 4.794 25 HB3 ARG 4 HB1 ARG 4 50.438 6.312 5.490 26 HG2 ARG 4 HG2 ARG 4 50.906 7.319 7.656 27 HG3 ARG 4 HG1 ARG 4 52.502 7.879 7.100 28 HD2 ARG 4 HD2 ARG 4 49.857 8.740 5.850 29 HD3 ARG 4 HD1 ARG 4 50.738 9.682 7.077 30 HE ARG 4 HE ARG 4 52.477 9.032 4.863 31 HH11 ARG 4 HH11 ARG 4 51.127 11.559 6.499 32 HH12 ARG 4 HH12 ARG 4 50.948 12.612 5.135 33 HH21 ARG 4 HH21 ARG 4 51.702 10.157 2.804 34 HH22 ARG 4 HH22 ARG 4 51.273 11.819 3.044 35 H TRP 5 HN TRP 5 54.205 4.447 5.097 36 HA TRP 5 HA TRP 5 53.329 3.308 2.716 37 HB2 TRP 5 HB2 TRP 5 55.676 3.238 3.396 38 HB3 TRP 5 HB1 TRP 5 55.286 2.102 4.708 39 HD1 TRP 5 HD1 TRP 5 54.145 1.977 0.991 40 HE1 TRP 5 HE1 TRP 5 54.837 -0.311 -0.021 41 HE3 TRP 5 HE3 TRP 5 56.705 0.061 4.993 42 HZ2 TRP 5 HZ2 TRP 5 56.305 -2.640 0.814 43 HZ3 TRP 5 HZ3 TRP 5 57.743 -2.199 4.859 44 HH2 TRP 5 HH2 TRP 5 57.547 -3.548 2.775 45 H LEU 6 HN LEU 6 52.595 2.288 5.952 46 HA LEU 6 HA LEU 6 51.369 -0.280 5.032 47 HB2 LEU 6 HB2 LEU 6 52.040 0.935 7.731 48 HB3 LEU 6 HB1 LEU 6 50.917 -0.432 7.611 49 HG LEU 6 HG LEU 6 53.363 -1.017 8.065 50 HD11 LEU 6 HD11 LEU 6 53.273 -3.028 6.832 51 HD12 LEU 6 HD12 LEU 6 52.442 -2.277 5.454 52 HD13 LEU 6 HD13 LEU 6 51.565 -2.563 6.973 53 HD21 LEU 6 HD21 LEU 6 53.741 -0.372 5.113 54 HD22 LEU 6 HD22 LEU 6 54.972 -0.889 6.287 55 HD23 LEU 6 HD23 LEU 6 54.232 0.724 6.424 56 H GLU 7 HN GLU 7 50.595 2.985 6.200 57 HA GLU 7 HA GLU 7 47.655 2.276 6.087 58 HB2 GLU 7 HB2 GLU 7 49.163 4.447 7.593 59 HB3 GLU 7 HB1 GLU 7 47.389 4.373 7.461 60 HG2 GLU 7 HG2 GLU 7 47.326 2.222 8.576 61 HG3 GLU 7 HG1 GLU 7 49.100 2.085 8.522 62 H ARG 8 HN ARG 8 48.834 2.595 3.654 63 HA ARG 8 HA ARG 8 48.999 5.279 2.699 64 HB2 ARG 8 HB2 ARG 8 49.747 3.166 1.503 65 HB3 ARG 8 HB1 ARG 8 48.037 2.870 1.112 66 HG2 ARG 8 HG2 ARG 8 47.895 5.027 -0.055 67 HG3 ARG 8 HG1 ARG 8 49.576 5.403 0.394 68 HD2 ARG 8 HD2 ARG 8 50.343 3.392 -0.863 69 HD3 ARG 8 HD1 ARG 8 48.660 3.075 -1.353 70 HE ARG 8 HE ARG 8 49.394 5.763 -2.075 71 HH11 ARG 8 HH11 ARG 8 48.755 5.732 -4.374 72 HH12 ARG 8 HH12 ARG 8 49.603 4.605 -5.377 73 HH21 ARG 8 HH21 ARG 8 51.008 2.884 -2.714 74 HH22 ARG 8 HH22 ARG 8 50.879 2.992 -4.439 75 H ILE 9 HN ILE 9 47.531 6.605 1.605 76 HA ILE 9 HA ILE 9 44.679 5.807 1.504 77 HB ILE 9 HB ILE 9 43.947 7.837 2.783 78 HG12 ILE 9 HG12 ILE 9 46.920 7.964 3.479 79 HG13 ILE 9 HG11 ILE 9 46.000 9.175 2.556 80 HG21 ILE 9 HG21 ILE 9 44.213 5.487 3.798 81 HG22 ILE 9 HG22 ILE 9 44.199 6.840 4.950 82 HG23 ILE 9 HG23 ILE 9 45.740 6.071 4.501 83 HD11 ILE 9 HD1 ILE 9 45.795 8.487 5.506 84 HD12 ILE 9 HD2 ILE 9 44.464 9.317 4.661 85 HD13 ILE 9 HD3 ILE 9 46.073 10.071 4.751 86 H GLY 10 HN GLY 10 47.292 8.109 0.939 87 HA2 GLY 10 HA1 GLY 10 47.648 9.472 -0.908 88 HA3 GLY 10 HA2 GLY 10 46.208 8.766 -1.670 89 H LYS 11 HN LYS 11 44.775 9.548 0.993 90 HA LYS 11 HA LYS 11 43.678 12.013 -0.051 91 HB2 LYS 11 HB2 LYS 11 43.403 10.673 2.666 92 HB3 LYS 11 HB1 LYS 11 42.444 12.072 2.121 93 HG2 LYS 11 HG2 LYS 11 41.557 10.768 0.237 94 HG3 LYS 11 HG1 LYS 11 42.570 9.378 0.695 95 HD2 LYS 11 HD2 LYS 11 41.404 9.411 2.963 96 HD3 LYS 11 HD1 LYS 11 40.267 10.595 2.273 97 HE2 LYS 11 HE2 LYS 11 39.241 8.438 1.999 98 HE3 LYS 11 HE1 LYS 11 39.845 8.910 0.393 99 HZ1 LYS 11 HZ1 LYS 11 41.786 7.507 1.996 100 HZ2 LYS 11 HZ2 LYS 11 41.309 7.243 0.387 101 HZ3 LYS 11 HZ3 LYS 11 40.406 6.580 1.664 102 H ALA 12 HN ALA 12 44.928 13.793 -0.151 103 HA ALA 12 HA ALA 12 46.980 14.351 1.828 104 HB1 ALA 12 HB1 ALA 12 47.071 15.175 -0.507 105 HB2 ALA 12 HB2 ALA 12 47.181 16.502 0.675 106 HB3 ALA 12 HB3 ALA 12 45.653 16.201 -0.188 107 H GLY 13 HN GLY 13 43.718 14.303 2.105 108 HA2 GLY 13 HA1 GLY 13 42.260 15.177 3.663 109 HA3 GLY 13 HA2 GLY 13 43.680 15.703 4.592 110 H PHE 14 HN PHE 14 44.067 16.996 1.600 111 HA PHE 14 HA PHE 14 42.883 19.620 2.470 112 HB2 PHE 14 HB2 PHE 14 45.343 19.475 1.945 113 HB3 PHE 14 HB1 PHE 14 44.913 19.041 0.273 114 HD1 PHE 14 HD1 PHE 14 44.145 21.636 2.903 115 HD2 PHE 14 HD2 PHE 14 44.620 20.785 -1.304 116 HE1 PHE 14 HE1 PHE 14 43.837 24.051 2.378 117 HE2 PHE 14 HE2 PHE 14 44.312 23.201 -1.826 118 HZ PHE 14 HZ PHE 14 43.854 24.822 0.009 119 H ILE 15 HN ILE 15 42.920 17.144 -0.023 120 HA ILE 15 HA ILE 15 40.387 18.182 -1.115 121 HB ILE 15 HB ILE 15 41.413 17.991 -3.526 122 HG12 ILE 15 HG12 ILE 15 43.930 18.592 -1.897 123 HG13 ILE 15 HG11 ILE 15 43.597 17.038 -2.687 124 HG21 ILE 15 HG21 ILE 15 40.652 20.126 -2.346 125 HG22 ILE 15 HG22 ILE 15 41.921 20.346 -3.568 126 HG23 ILE 15 HG23 ILE 15 42.343 20.353 -1.840 127 HD11 ILE 15 HD1 ILE 15 43.299 18.461 -4.869 128 HD12 ILE 15 HD2 ILE 15 44.947 18.170 -4.266 129 HD13 ILE 15 HD3 ILE 15 44.154 19.733 -3.964 130 H ILE 16 HN ILE 16 42.077 16.318 -3.392 131 HA ILE 16 HA ILE 16 41.653 14.156 -4.121 132 HB ILE 16 HB ILE 16 42.057 13.469 -1.180 133 HG12 ILE 16 HG12 ILE 16 43.900 14.880 -1.763 134 HG13 ILE 16 HG11 ILE 16 44.514 13.224 -1.894 135 HG21 ILE 16 HG21 ILE 16 41.391 11.491 -2.278 136 HG22 ILE 16 HG22 ILE 16 43.163 11.398 -2.342 137 HG23 ILE 16 HG23 ILE 16 42.247 11.904 -3.779 138 HD11 ILE 16 HD1 ILE 16 43.887 13.406 -4.420 139 HD12 ILE 16 HD2 ILE 16 45.315 14.296 -3.851 140 HD13 ILE 16 HD3 ILE 16 43.782 15.155 -4.119 141 H ILE 17 HN ILE 17 40.312 13.592 -0.842 142 HA ILE 17 HA ILE 17 38.015 12.278 -2.008 143 HB ILE 17 HB ILE 17 38.802 11.606 0.212 144 HG12 ILE 17 HG12 ILE 17 36.703 11.621 1.450 145 HG13 ILE 17 HG11 ILE 17 36.116 13.032 0.548 146 HG21 ILE 17 HG21 ILE 17 37.958 14.357 1.210 147 HG22 ILE 17 HG22 ILE 17 39.639 13.934 0.807 148 HG23 ILE 17 HG23 ILE 17 38.795 13.078 2.119 149 HD11 ILE 17 HD1 ILE 17 35.280 10.651 -0.165 150 HD12 ILE 17 HD2 ILE 17 36.886 10.482 -0.913 151 HD13 ILE 17 HD3 ILE 17 35.791 11.784 -1.438 152 H GLY 18 HN GLY 18 38.594 15.474 -0.527 153 HA2 GLY 18 HA1 GLY 18 35.806 16.292 -0.818 154 HA3 GLY 18 HA2 GLY 18 37.178 17.314 -0.349 155 H GLY 19 HN GLY 19 38.870 16.915 -2.547 156 HA2 GLY 19 HA1 GLY 19 37.618 18.745 -4.432 157 HA3 GLY 19 HA2 GLY 19 39.247 18.051 -4.540 158 H ALA 20 HN ALA 20 38.580 15.308 -4.472 159 HA ALA 20 HA ALA 20 38.156 13.650 -6.046 160 HB1 ALA 20 HB1 ALA 20 35.869 13.494 -6.800 161 HB2 ALA 20 HB2 ALA 20 35.611 15.234 -6.523 162 HB3 ALA 20 HB3 ALA 20 35.869 14.141 -5.142 163 H LEU 21 HN LEU 21 39.939 15.317 -7.107 164 HA LEU 21 HA LEU 21 39.173 16.678 -9.501 165 HB2 LEU 21 HB2 LEU 21 41.760 15.452 -8.495 166 HB3 LEU 21 HB1 LEU 21 41.672 16.159 -10.125 167 HG LEU 21 HG LEU 21 40.987 18.316 -9.209 168 HD11 LEU 21 HD11 LEU 21 41.008 18.568 -6.650 169 HD12 LEU 21 HD12 LEU 21 40.931 16.791 -6.575 170 HD13 LEU 21 HD13 LEU 21 39.612 17.709 -7.342 171 HD21 LEU 21 HD21 LEU 21 43.431 17.689 -9.267 172 HD22 LEU 21 HD22 LEU 21 43.298 17.205 -7.559 173 HD23 LEU 21 HD23 LEU 21 43.036 18.902 -8.026 174 H ASP 22 HN ASP 22 37.677 15.419 -10.638 175 HA ASP 22 HA ASP 22 36.988 13.768 -12.121 176 HB2 ASP 22 HB2 ASP 22 38.781 14.985 -13.426 177 HB3 ASP 22 HB1 ASP 22 39.918 13.707 -12.932 178 H HIS 23 HN HIS 23 37.381 12.743 -9.596 179 HA HIS 23 HA HIS 23 37.756 10.751 -8.468 180 HB2 HIS 23 HB2 HIS 23 36.226 9.935 -10.248 181 HB3 HIS 23 HB1 HIS 23 37.635 9.577 -11.276 182 HD1 HIS 23 HD1 HIS 23 38.193 7.156 -11.209 183 HD2 HIS 23 HD2 HIS 23 36.915 8.576 -7.462 184 HE1 HIS 23 HE1 HIS 23 38.271 5.188 -9.581 185 H LEU 24 HN LEU 24 40.051 12.122 -8.678 186 HA LEU 24 HA LEU 24 42.168 10.687 -10.016 187 HB2 LEU 24 HB2 LEU 24 42.498 13.005 -9.453 188 HB3 LEU 24 HB1 LEU 24 42.138 12.707 -7.740 189 HG LEU 24 HG LEU 24 44.192 11.456 -7.444 190 HD11 LEU 24 HD11 LEU 24 45.787 11.277 -9.482 191 HD12 LEU 24 HD12 LEU 24 44.352 11.619 -10.479 192 HD13 LEU 24 HD13 LEU 24 44.395 10.170 -9.445 193 HD21 LEU 24 HD21 LEU 24 44.314 13.972 -7.488 194 HD22 LEU 24 HD22 LEU 24 44.807 13.876 -9.195 195 HD23 LEU 24 HD23 LEU 24 45.845 13.181 -7.927 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 60.400 -0.284 -1.494 2 H2 GLY 1 HT2 GLY 1 61.873 -0.095 -0.667 3 H3 GLY 1 HT3 GLY 1 61.704 0.486 -2.256 4 HA2 GLY 1 HA1 GLY 1 61.598 2.322 -0.843 5 HA3 GLY 1 HA2 GLY 1 59.972 2.001 -1.475 6 H LYS 2 HN LYS 2 58.460 0.809 -0.123 7 HA LYS 2 HA LYS 2 57.321 0.660 1.895 8 HB2 LYS 2 HB2 LYS 2 60.040 0.075 3.123 9 HB3 LYS 2 HB1 LYS 2 58.444 -0.511 3.653 10 HG2 LYS 2 HG2 LYS 2 58.213 -1.731 1.476 11 HG3 LYS 2 HG1 LYS 2 59.863 -1.218 1.048 12 HD2 LYS 2 HD2 LYS 2 60.735 -2.355 3.079 13 HD3 LYS 2 HD1 LYS 2 59.085 -2.893 3.476 14 HE2 LYS 2 HE2 LYS 2 58.964 -4.126 1.333 15 HE3 LYS 2 HE1 LYS 2 60.610 -3.584 0.926 16 HZ1 LYS 2 HZ1 LYS 2 60.650 -4.695 3.502 17 HZ2 LYS 2 HZ2 LYS 2 61.407 -5.271 2.094 18 HZ3 LYS 2 HZ3 LYS 2 59.835 -5.783 2.487 19 H GLY 3 HN GLY 3 57.367 1.388 4.315 20 HA2 GLY 3 HA1 GLY 3 58.600 3.295 5.681 21 HA3 GLY 3 HA2 GLY 3 58.110 4.341 4.268 22 H ARG 4 HN ARG 4 56.428 3.877 3.299 23 HA ARG 4 HA ARG 4 55.684 5.736 4.669 24 HB2 ARG 4 HB2 ARG 4 53.898 4.471 2.533 25 HB3 ARG 4 HB1 ARG 4 53.662 6.116 3.180 26 HG2 ARG 4 HG2 ARG 4 56.020 6.668 2.521 27 HG3 ARG 4 HG1 ARG 4 56.157 5.057 1.775 28 HD2 ARG 4 HD2 ARG 4 54.322 7.344 0.974 29 HD3 ARG 4 HD1 ARG 4 55.568 6.539 -0.009 30 HE ARG 4 HE ARG 4 53.745 4.522 0.687 31 HH11 ARG 4 HH11 ARG 4 52.525 7.525 0.101 32 HH12 ARG 4 HH12 ARG 4 51.738 7.142 -1.394 33 HH21 ARG 4 HH21 ARG 4 53.238 4.029 -1.691 34 HH22 ARG 4 HH22 ARG 4 52.142 5.163 -2.408 35 H TRP 5 HN TRP 5 54.984 2.692 5.264 36 HA TRP 5 HA TRP 5 52.376 2.235 6.117 37 HB2 TRP 5 HB2 TRP 5 54.220 0.615 6.415 38 HB3 TRP 5 HB1 TRP 5 54.881 1.612 7.734 39 HD1 TRP 5 HD1 TRP 5 53.464 1.756 9.998 40 HE1 TRP 5 HE1 TRP 5 51.686 0.181 11.056 41 HE3 TRP 5 HE3 TRP 5 52.290 -1.028 5.865 42 HZ2 TRP 5 HZ2 TRP 5 49.998 -1.987 10.194 43 HZ3 TRP 5 HZ3 TRP 5 50.592 -2.843 6.006 44 HH2 TRP 5 HH2 TRP 5 49.446 -3.325 8.165 45 H LEU 6 HN LEU 6 54.573 4.619 7.328 46 HA LEU 6 HA LEU 6 52.792 5.215 9.672 47 HB2 LEU 6 HB2 LEU 6 55.212 4.861 10.141 48 HB3 LEU 6 HB1 LEU 6 55.610 6.181 9.020 49 HG LEU 6 HG LEU 6 54.285 7.762 10.443 50 HD11 LEU 6 HD11 LEU 6 53.871 6.778 12.875 51 HD12 LEU 6 HD12 LEU 6 53.816 5.213 12.030 52 HD13 LEU 6 HD13 LEU 6 52.663 6.499 11.603 53 HD21 LEU 6 HD21 LEU 6 56.729 7.470 10.752 54 HD22 LEU 6 HD22 LEU 6 56.425 6.168 11.926 55 HD23 LEU 6 HD23 LEU 6 55.923 7.835 12.296 56 H GLU 7 HN GLU 7 54.002 6.392 6.557 57 HA GLU 7 HA GLU 7 52.890 9.114 7.054 58 HB2 GLU 7 HB2 GLU 7 54.340 7.839 4.701 59 HB3 GLU 7 HB1 GLU 7 53.724 9.509 4.703 60 HG2 GLU 7 HG2 GLU 7 55.118 10.057 6.649 61 HG3 GLU 7 HG1 GLU 7 55.680 8.371 6.751 62 H ARG 8 HN ARG 8 51.503 6.269 6.558 63 HA ARG 8 HA ARG 8 49.930 6.589 4.185 64 HB2 ARG 8 HB2 ARG 8 50.224 4.471 5.523 65 HB3 ARG 8 HB1 ARG 8 49.137 5.161 6.750 66 HG2 ARG 8 HG2 ARG 8 47.357 5.401 5.029 67 HG3 ARG 8 HG1 ARG 8 48.445 4.680 3.817 68 HD2 ARG 8 HD2 ARG 8 48.491 2.576 4.983 69 HD3 ARG 8 HD1 ARG 8 47.696 3.276 6.413 70 HE ARG 8 HE ARG 8 45.964 3.630 4.176 71 HH11 ARG 8 HH11 ARG 8 45.417 2.275 6.889 72 HH12 ARG 8 HH12 ARG 8 44.951 0.691 6.364 73 HH21 ARG 8 HH21 ARG 8 46.200 1.099 3.154 74 HH22 ARG 8 HH22 ARG 8 45.394 0.025 4.250 75 H ILE 9 HN ILE 9 49.358 8.857 4.226 76 HA ILE 9 HA ILE 9 47.738 9.965 6.332 77 HB ILE 9 HB ILE 9 48.982 11.330 4.627 78 HG12 ILE 9 HG12 ILE 9 45.966 11.817 4.695 79 HG13 ILE 9 HG11 ILE 9 47.096 12.253 5.996 80 HG21 ILE 9 HG21 ILE 9 46.687 10.696 2.731 81 HG22 ILE 9 HG22 ILE 9 48.213 9.781 2.697 82 HG23 ILE 9 HG23 ILE 9 48.220 11.530 2.381 83 HD11 ILE 9 HD1 ILE 9 46.961 13.372 3.172 84 HD12 ILE 9 HD2 ILE 9 48.393 13.590 4.207 85 HD13 ILE 9 HD3 ILE 9 46.819 14.248 4.713 86 H GLY 10 HN GLY 10 46.954 8.463 3.178 87 HA2 GLY 10 HA1 GLY 10 44.887 7.851 2.296 88 HA3 GLY 10 HA2 GLY 10 44.686 7.092 3.887 89 H LYS 11 HN LYS 11 44.785 10.546 2.942 90 HA LYS 11 HA LYS 11 41.905 10.862 3.289 91 HB2 LYS 11 HB2 LYS 11 42.774 10.632 5.672 92 HB3 LYS 11 HB1 LYS 11 43.676 12.143 5.403 93 HG2 LYS 11 HG2 LYS 11 41.597 13.346 4.917 94 HG3 LYS 11 HG1 LYS 11 40.661 11.839 5.055 95 HD2 LYS 11 HD2 LYS 11 41.367 11.615 7.422 96 HD3 LYS 11 HD1 LYS 11 42.288 13.133 7.287 97 HE2 LYS 11 HE2 LYS 11 40.239 14.386 6.812 98 HE3 LYS 11 HE1 LYS 11 39.288 12.881 6.799 99 HZ1 LYS 11 HZ1 LYS 11 38.999 13.772 8.927 100 HZ2 LYS 11 HZ2 LYS 11 40.639 14.187 9.093 101 HZ3 LYS 11 HZ3 LYS 11 40.163 12.557 9.147 102 H ALA 12 HN ALA 12 42.691 11.604 1.093 103 HA ALA 12 HA ALA 12 44.199 14.090 0.963 104 HB1 ALA 12 HB1 ALA 12 42.345 12.930 -1.140 105 HB2 ALA 12 HB2 ALA 12 44.006 12.350 -0.867 106 HB3 ALA 12 HB3 ALA 12 43.723 14.030 -1.384 107 H GLY 13 HN GLY 13 42.813 15.109 2.710 108 HA2 GLY 13 HA1 GLY 13 41.185 16.638 3.315 109 HA3 GLY 13 HA2 GLY 13 41.269 17.183 1.628 110 H PHE 14 HN PHE 14 39.941 14.447 3.542 111 HA PHE 14 HA PHE 14 37.891 13.382 3.399 112 HB2 PHE 14 HB2 PHE 14 37.149 15.752 3.936 113 HB3 PHE 14 HB1 PHE 14 36.866 15.982 2.195 114 HD1 PHE 14 HD1 PHE 14 34.842 15.211 1.192 115 HD2 PHE 14 HD2 PHE 14 35.971 13.778 5.105 116 HE1 PHE 14 HE1 PHE 14 32.628 14.093 1.421 117 HE2 PHE 14 HE2 PHE 14 33.756 12.659 5.333 118 HZ PHE 14 HZ PHE 14 32.102 12.780 3.472 119 H ILE 15 HN ILE 15 39.784 13.345 1.100 120 HA ILE 15 HA ILE 15 39.829 12.484 -1.025 121 HB ILE 15 HB ILE 15 36.884 11.770 -0.715 122 HG12 ILE 15 HG12 ILE 15 39.356 10.330 0.354 123 HG13 ILE 15 HG11 ILE 15 38.041 11.035 1.321 124 HG21 ILE 15 HG21 ILE 15 37.386 10.013 -2.270 125 HG22 ILE 15 HG22 ILE 15 39.140 10.265 -2.100 126 HG23 ILE 15 HG23 ILE 15 38.140 11.479 -2.932 127 HD11 ILE 15 HD1 ILE 15 37.967 8.591 -0.477 128 HD12 ILE 15 HD2 ILE 15 36.470 9.447 -0.028 129 HD13 ILE 15 HD3 ILE 15 37.500 8.729 1.233 130 H ILE 16 HN ILE 16 39.949 14.890 -1.276 131 HA ILE 16 HA ILE 16 37.923 15.719 -3.335 132 HB ILE 16 HB ILE 16 39.222 17.448 -1.193 133 HG12 ILE 16 HG12 ILE 16 37.235 15.899 -0.522 134 HG13 ILE 16 HG11 ILE 16 37.133 17.614 -0.096 135 HG21 ILE 16 HG21 ILE 16 39.000 18.751 -3.207 136 HG22 ILE 16 HG22 ILE 16 37.645 19.220 -2.156 137 HG23 ILE 16 HG23 ILE 16 37.371 18.111 -3.521 138 HD11 ILE 16 HD1 ILE 16 35.012 16.599 -1.088 139 HD12 ILE 16 HD2 ILE 16 35.879 16.476 -2.632 140 HD13 ILE 16 HD3 ILE 16 35.599 18.069 -1.896 141 H ILE 17 HN ILE 17 41.120 16.338 -1.830 142 HA ILE 17 HA ILE 17 42.196 17.614 -4.209 143 HB ILE 17 HB ILE 17 43.484 16.423 -1.707 144 HG12 ILE 17 HG12 ILE 17 43.983 18.780 -1.210 145 HG13 ILE 17 HG11 ILE 17 43.292 19.282 -2.770 146 HG21 ILE 17 HG21 ILE 17 45.165 16.098 -3.392 147 HG22 ILE 17 HG22 ILE 17 45.594 17.623 -2.584 148 HG23 ILE 17 HG23 ILE 17 44.788 17.653 -4.172 149 HD11 ILE 17 HD1 ILE 17 41.631 17.712 -0.767 150 HD12 ILE 17 HD2 ILE 17 41.083 18.760 -2.098 151 HD13 ILE 17 HD3 ILE 17 41.796 19.479 -0.638 152 H GLY 18 HN GLY 18 42.345 14.360 -2.753 153 HA2 GLY 18 HA1 GLY 18 43.930 13.279 -4.967 154 HA3 GLY 18 HA2 GLY 18 43.200 12.373 -3.625 155 H GLY 19 HN GLY 19 40.537 13.142 -3.841 156 HA2 GLY 19 HA1 GLY 19 39.607 11.335 -5.839 157 HA3 GLY 19 HA2 GLY 19 38.617 12.529 -4.978 158 H ALA 20 HN ALA 20 39.823 14.905 -5.810 159 HA ALA 20 HA ALA 20 38.618 15.133 -8.465 160 HB1 ALA 20 HB1 ALA 20 39.071 17.477 -8.253 161 HB2 ALA 20 HB2 ALA 20 40.275 17.190 -6.973 162 HB3 ALA 20 HB3 ALA 20 38.548 16.895 -6.656 163 H LEU 21 HN LEU 21 40.744 13.269 -8.499 164 HA LEU 21 HA LEU 21 43.254 14.270 -9.283 165 HB2 LEU 21 HB2 LEU 21 42.557 11.838 -8.949 166 HB3 LEU 21 HB1 LEU 21 41.845 11.908 -10.576 167 HG LEU 21 HG LEU 21 44.235 12.799 -11.306 168 HD11 LEU 21 HD11 LEU 21 46.051 11.720 -9.915 169 HD12 LEU 21 HD12 LEU 21 44.837 11.401 -8.657 170 HD13 LEU 21 HD13 LEU 21 45.240 13.075 -9.102 171 HD21 LEU 21 HD21 LEU 21 44.993 10.467 -11.662 172 HD22 LEU 21 HD22 LEU 21 43.254 10.635 -12.005 173 HD23 LEU 21 HD23 LEU 21 43.793 9.894 -10.479 174 H ASP 22 HN ASP 22 43.239 16.108 -10.527 175 HA ASP 22 HA ASP 22 43.020 17.390 -12.451 176 HB2 ASP 22 HB2 ASP 22 43.039 14.665 -13.811 177 HB3 ASP 22 HB1 ASP 22 43.409 16.229 -14.576 178 H HIS 23 HN HIS 23 40.661 17.238 -11.202 179 HA HIS 23 HA HIS 23 38.369 17.374 -11.520 180 HB2 HIS 23 HB2 HIS 23 39.081 19.083 -13.160 181 HB3 HIS 23 HB1 HIS 23 39.201 17.827 -14.414 182 HD1 HIS 23 HD1 HIS 23 37.307 18.845 -15.865 183 HD2 HIS 23 HD2 HIS 23 36.115 17.951 -11.935 184 HE1 HIS 23 HE1 HIS 23 34.755 18.945 -15.800 185 H LEU 24 HN LEU 24 39.255 14.792 -11.336 186 HA LEU 24 HA LEU 24 37.142 13.387 -12.785 187 HB2 LEU 24 HB2 LEU 24 39.260 13.625 -14.361 188 HB3 LEU 24 HB1 LEU 24 39.932 12.332 -13.345 189 HG LEU 24 HG LEU 24 37.320 12.240 -14.926 190 HD11 LEU 24 HD11 LEU 24 39.949 10.714 -15.194 191 HD12 LEU 24 HD12 LEU 24 39.375 12.000 -16.283 192 HD13 LEU 24 HD13 LEU 24 38.496 10.455 -16.187 193 HD21 LEU 24 HD21 LEU 24 36.910 10.951 -12.958 194 HD22 LEU 24 HD22 LEU 24 38.577 10.322 -12.920 195 HD23 LEU 24 HD23 LEU 24 37.437 9.757 -14.165 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 62.113 4.836 11.939 2 H2 GLY 1 HT2 GLY 1 63.529 5.281 11.111 3 H3 GLY 1 HT3 GLY 1 63.628 4.404 12.563 4 HA2 GLY 1 HA1 GLY 1 64.042 3.050 10.612 5 HA3 GLY 1 HA2 GLY 1 62.666 2.508 11.593 6 H LYS 2 HN LYS 2 61.585 1.457 9.959 7 HA LYS 2 HA LYS 2 61.051 2.763 7.409 8 HB2 LYS 2 HB2 LYS 2 59.855 0.297 8.734 9 HB3 LYS 2 HB1 LYS 2 59.518 0.815 7.064 10 HG2 LYS 2 HG2 LYS 2 61.785 0.480 6.384 11 HG3 LYS 2 HG1 LYS 2 62.359 0.380 8.063 12 HD2 LYS 2 HD2 LYS 2 62.312 -1.872 7.173 13 HD3 LYS 2 HD1 LYS 2 60.980 -1.728 8.337 14 HE2 LYS 2 HE2 LYS 2 60.353 -2.887 6.175 15 HE3 LYS 2 HE1 LYS 2 59.356 -1.464 6.547 16 HZ1 LYS 2 HZ1 LYS 2 60.417 -0.207 4.936 17 HZ2 LYS 2 HZ2 LYS 2 60.334 -1.734 4.195 18 HZ3 LYS 2 HZ3 LYS 2 61.791 -1.202 4.890 19 H GLY 3 HN GLY 3 58.324 1.251 8.931 20 HA2 GLY 3 HA1 GLY 3 56.431 2.341 10.038 21 HA3 GLY 3 HA2 GLY 3 56.984 3.964 9.429 22 H ARG 4 HN ARG 4 57.605 4.174 7.590 23 HA ARG 4 HA ARG 4 55.328 4.963 7.361 24 HB2 ARG 4 HB2 ARG 4 57.333 5.154 5.064 25 HB3 ARG 4 HB1 ARG 4 55.873 6.165 5.199 26 HG2 ARG 4 HG2 ARG 4 56.632 6.996 7.397 27 HG3 ARG 4 HG1 ARG 4 58.080 5.967 7.297 28 HD2 ARG 4 HD2 ARG 4 58.706 7.164 5.167 29 HD3 ARG 4 HD1 ARG 4 57.342 8.272 5.444 30 HE ARG 4 HE ARG 4 58.793 8.365 7.818 31 HH11 ARG 4 HH11 ARG 4 61.302 7.888 6.479 32 HH12 ARG 4 HH12 ARG 4 61.753 9.438 5.851 33 HH21 ARG 4 HH21 ARG 4 58.568 10.777 6.139 34 HH22 ARG 4 HH22 ARG 4 60.206 11.073 5.657 35 H TRP 5 HN TRP 5 56.348 2.133 6.325 36 HA TRP 5 HA TRP 5 55.300 1.349 3.868 37 HB2 TRP 5 HB2 TRP 5 56.437 -0.146 5.525 38 HB3 TRP 5 HB1 TRP 5 54.923 -0.205 6.457 39 HD1 TRP 5 HD1 TRP 5 55.812 -0.663 2.697 40 HE1 TRP 5 HE1 TRP 5 54.571 -2.763 1.796 41 HE3 TRP 5 HE3 TRP 5 53.409 -2.084 6.988 42 HZ2 TRP 5 HZ2 TRP 5 52.782 -4.771 2.829 43 HZ3 TRP 5 HZ3 TRP 5 51.940 -4.095 7.007 44 HH2 TRP 5 HH2 TRP 5 51.625 -5.438 4.933 45 H LEU 6 HN LEU 6 53.543 2.607 6.552 46 HA LEU 6 HA LEU 6 50.924 1.816 5.278 47 HB2 LEU 6 HB2 LEU 6 51.392 2.622 8.171 48 HB3 LEU 6 HB1 LEU 6 49.917 1.935 7.456 49 HG LEU 6 HG LEU 6 52.608 0.500 7.622 50 HD11 LEU 6 HD11 LEU 6 50.051 0.048 9.222 51 HD12 LEU 6 HD12 LEU 6 51.487 0.903 9.837 52 HD13 LEU 6 HD13 LEU 6 51.593 -0.821 9.405 53 HD21 LEU 6 HD21 LEU 6 51.418 -0.420 5.771 54 HD22 LEU 6 HD22 LEU 6 49.846 -0.269 6.591 55 HD23 LEU 6 HD23 LEU 6 51.014 -1.501 7.121 56 H GLU 7 HN GLU 7 53.084 4.432 6.115 57 HA GLU 7 HA GLU 7 51.337 6.545 6.654 58 HB2 GLU 7 HB2 GLU 7 53.880 6.610 6.443 59 HB3 GLU 7 HB1 GLU 7 53.643 6.753 4.684 60 HG2 GLU 7 HG2 GLU 7 52.177 8.761 5.108 61 HG3 GLU 7 HG1 GLU 7 52.609 8.656 6.831 62 H ARG 8 HN ARG 8 51.743 4.748 3.677 63 HA ARG 8 HA ARG 8 50.762 6.525 1.751 64 HB2 ARG 8 HB2 ARG 8 49.831 4.475 0.622 65 HB3 ARG 8 HB1 ARG 8 51.525 4.307 1.145 66 HG2 ARG 8 HG2 ARG 8 50.762 3.157 3.215 67 HG3 ARG 8 HG1 ARG 8 49.077 3.296 2.659 68 HD2 ARG 8 HD2 ARG 8 49.564 1.928 0.692 69 HD3 ARG 8 HD1 ARG 8 51.292 1.874 1.119 70 HE ARG 8 HE ARG 8 49.840 0.864 3.340 71 HH11 ARG 8 HH11 ARG 8 49.482 0.132 0.053 72 HH12 ARG 8 HH12 ARG 8 49.759 -1.568 0.234 73 HH21 ARG 8 HH21 ARG 8 50.628 -1.337 3.583 74 HH22 ARG 8 HH22 ARG 8 50.410 -2.400 2.233 75 H ILE 9 HN ILE 9 48.727 7.058 0.924 76 HA ILE 9 HA ILE 9 46.282 6.096 2.152 77 HB ILE 9 HB ILE 9 47.128 7.624 3.973 78 HG12 ILE 9 HG12 ILE 9 44.631 8.589 2.505 79 HG13 ILE 9 HG11 ILE 9 44.698 7.170 3.574 80 HG21 ILE 9 HG21 ILE 9 48.204 9.232 2.273 81 HG22 ILE 9 HG22 ILE 9 47.310 9.984 3.615 82 HG23 ILE 9 HG23 ILE 9 46.567 9.874 2.001 83 HD11 ILE 9 HD1 ILE 9 45.617 8.796 5.377 84 HD12 ILE 9 HD2 ILE 9 43.891 8.922 4.966 85 HD13 ILE 9 HD3 ILE 9 45.050 10.097 4.304 86 H GLY 10 HN GLY 10 47.933 8.712 0.377 87 HA2 GLY 10 HA1 GLY 10 47.438 9.542 -1.739 88 HA3 GLY 10 HA2 GLY 10 46.111 8.373 -1.875 89 H LYS 11 HN LYS 11 44.319 8.921 -0.056 90 HA LYS 11 HA LYS 11 42.981 11.211 -0.981 91 HB2 LYS 11 HB2 LYS 11 42.772 9.822 1.719 92 HB3 LYS 11 HB1 LYS 11 41.598 11.003 1.091 93 HG2 LYS 11 HG2 LYS 11 41.076 9.567 -0.801 94 HG3 LYS 11 HG1 LYS 11 42.376 8.434 -0.355 95 HD2 LYS 11 HD2 LYS 11 41.220 7.958 1.790 96 HD3 LYS 11 HD1 LYS 11 39.911 9.073 1.327 97 HE2 LYS 11 HE2 LYS 11 39.412 7.684 -0.654 98 HE3 LYS 11 HE1 LYS 11 40.734 6.575 -0.218 99 HZ1 LYS 11 HZ1 LYS 11 38.298 7.151 1.395 100 HZ2 LYS 11 HZ2 LYS 11 39.588 6.171 1.905 101 HZ3 LYS 11 HZ3 LYS 11 38.645 5.710 0.569 102 H ALA 12 HN ALA 12 43.972 13.156 -1.033 103 HA ALA 12 HA ALA 12 45.710 14.118 1.050 104 HB1 ALA 12 HB1 ALA 12 45.763 14.998 -1.244 105 HB2 ALA 12 HB2 ALA 12 45.452 16.302 -0.073 106 HB3 ALA 12 HB3 ALA 12 44.116 15.639 -1.045 107 H GLY 13 HN GLY 13 42.497 13.418 1.150 108 HA2 GLY 13 HA1 GLY 13 40.710 14.154 2.435 109 HA3 GLY 13 HA2 GLY 13 41.959 14.406 3.670 110 H PHE 14 HN PHE 14 41.686 16.169 0.592 111 HA PHE 14 HA PHE 14 40.327 18.438 1.765 112 HB2 PHE 14 HB2 PHE 14 42.465 18.690 2.955 113 HB3 PHE 14 HB1 PHE 14 43.341 18.672 1.408 114 HD1 PHE 14 HD1 PHE 14 40.375 20.446 2.966 115 HD2 PHE 14 HD2 PHE 14 43.925 20.781 0.523 116 HE1 PHE 14 HE1 PHE 14 39.992 22.894 2.738 117 HE2 PHE 14 HE2 PHE 14 43.533 23.229 0.297 118 HZ PHE 14 HZ PHE 14 41.594 24.292 1.442 119 H ILE 15 HN ILE 15 41.957 16.790 -0.799 120 HA ILE 15 HA ILE 15 40.540 18.474 -2.758 121 HB ILE 15 HB ILE 15 42.667 18.839 -4.130 122 HG12 ILE 15 HG12 ILE 15 43.956 18.183 -1.438 123 HG13 ILE 15 HG11 ILE 15 44.053 17.177 -2.901 124 HG21 ILE 15 HG21 ILE 15 42.730 20.257 -1.439 125 HG22 ILE 15 HG22 ILE 15 41.498 20.601 -2.673 126 HG23 ILE 15 HG23 ILE 15 43.215 20.896 -3.025 127 HD11 ILE 15 HD1 ILE 15 46.071 18.422 -2.942 128 HD12 ILE 15 HD2 ILE 15 45.268 19.914 -2.400 129 HD13 ILE 15 HD3 ILE 15 45.010 19.315 -4.057 130 H ILE 16 HN ILE 16 39.971 15.933 -2.169 131 HA ILE 16 HA ILE 16 40.761 14.551 -4.688 132 HB ILE 16 HB ILE 16 41.334 13.616 -1.874 133 HG12 ILE 16 HG12 ILE 16 43.072 14.422 -3.640 134 HG13 ILE 16 HG11 ILE 16 43.427 12.939 -2.740 135 HG21 ILE 16 HG21 ILE 16 39.841 11.852 -2.447 136 HG22 ILE 16 HG22 ILE 16 41.458 11.206 -2.799 137 HG23 ILE 16 HG23 ILE 16 40.422 11.784 -4.126 138 HD11 ILE 16 HD1 ILE 16 42.934 11.545 -4.600 139 HD12 ILE 16 HD2 ILE 16 43.821 12.913 -5.306 140 HD13 ILE 16 HD3 ILE 16 42.055 12.830 -5.455 141 H ILE 17 HN ILE 17 38.841 14.458 -1.662 142 HA ILE 17 HA ILE 17 36.694 12.934 -3.019 143 HB ILE 17 HB ILE 17 35.530 13.411 -0.683 144 HG12 ILE 17 HG12 ILE 17 37.095 13.867 1.140 145 HG13 ILE 17 HG11 ILE 17 38.456 13.960 0.004 146 HG21 ILE 17 HG21 ILE 17 36.432 11.216 -1.401 147 HG22 ILE 17 HG22 ILE 17 36.764 11.520 0.321 148 HG23 ILE 17 HG23 ILE 17 38.060 11.716 -0.883 149 HD11 ILE 17 HD1 ILE 17 36.043 15.795 -0.229 150 HD12 ILE 17 HD2 ILE 17 37.658 15.996 -0.953 151 HD13 ILE 17 HD3 ILE 17 37.437 16.195 0.800 152 H GLY 18 HN GLY 18 37.516 15.716 -3.864 153 HA2 GLY 18 HA1 GLY 18 34.887 16.681 -4.438 154 HA3 GLY 18 HA2 GLY 18 35.554 17.609 -3.080 155 H GLY 19 HN GLY 19 38.235 17.740 -3.738 156 HA2 GLY 19 HA1 GLY 19 38.251 19.924 -5.563 157 HA3 GLY 19 HA2 GLY 19 39.679 19.044 -4.985 158 H ALA 20 HN ALA 20 39.037 16.474 -6.000 159 HA ALA 20 HA ALA 20 39.891 16.879 -8.775 160 HB1 ALA 20 HB1 ALA 20 40.094 14.466 -8.832 161 HB2 ALA 20 HB2 ALA 20 39.152 14.313 -7.330 162 HB3 ALA 20 HB3 ALA 20 40.766 15.065 -7.298 163 H LEU 21 HN LEU 21 37.493 18.107 -8.623 164 HA LEU 21 HA LEU 21 35.203 16.489 -9.108 165 HB2 LEU 21 HB2 LEU 21 34.275 18.537 -10.226 166 HB3 LEU 21 HB1 LEU 21 34.941 18.822 -8.607 167 HG LEU 21 HG LEU 21 37.194 19.355 -10.067 168 HD11 LEU 21 HD11 LEU 21 34.858 20.061 -11.903 169 HD12 LEU 21 HD12 LEU 21 36.221 18.979 -12.272 170 HD13 LEU 21 HD13 LEU 21 36.501 20.720 -12.067 171 HD21 LEU 21 HD21 LEU 21 34.889 21.312 -9.649 172 HD22 LEU 21 HD22 LEU 21 36.593 21.751 -9.915 173 HD23 LEU 21 HD23 LEU 21 36.119 20.880 -8.438 174 H ASP 22 HN ASP 22 38.016 16.646 -10.889 175 HA ASP 22 HA ASP 22 37.206 16.762 -13.580 176 HB2 ASP 22 HB2 ASP 22 39.255 14.855 -12.383 177 HB3 ASP 22 HB1 ASP 22 39.173 15.398 -14.076 178 H HIS 23 HN HIS 23 37.030 14.062 -11.266 179 HA HIS 23 HA HIS 23 34.837 12.853 -12.732 180 HB2 HIS 23 HB2 HIS 23 36.021 10.712 -13.273 181 HB3 HIS 23 HB1 HIS 23 36.586 12.094 -14.241 182 HD1 HIS 23 HD1 HIS 23 38.702 10.175 -14.303 183 HD2 HIS 23 HD2 HIS 23 38.184 12.552 -10.872 184 HE1 HIS 23 HE1 HIS 23 40.908 10.144 -13.015 185 H LEU 24 HN LEU 24 36.302 13.626 -10.013 186 HA LEU 24 HA LEU 24 34.808 11.696 -8.442 187 HB2 LEU 24 HB2 LEU 24 37.077 10.557 -9.193 188 HB3 LEU 24 HB1 LEU 24 37.797 11.591 -7.951 189 HG LEU 24 HG LEU 24 37.330 9.501 -6.889 190 HD11 LEU 24 HD11 LEU 24 34.969 11.271 -6.131 191 HD12 LEU 24 HD12 LEU 24 36.651 11.602 -5.651 192 HD13 LEU 24 HD13 LEU 24 35.846 10.115 -5.103 193 HD21 LEU 24 HD21 LEU 24 35.571 8.855 -8.736 194 HD22 LEU 24 HD22 LEU 24 34.381 9.583 -7.635 195 HD23 LEU 24 HD23 LEU 24 35.368 8.211 -7.095 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 61.875 5.604 0.270 2 H2 GLY 1 HT2 GLY 1 61.248 4.745 1.595 3 H3 GLY 1 HT3 GLY 1 62.348 6.017 1.844 4 HA2 GLY 1 HA1 GLY 1 60.491 7.119 2.310 5 HA3 GLY 1 HA2 GLY 1 60.556 7.357 0.552 6 H LYS 2 HN LYS 2 60.039 4.111 1.181 7 HA LYS 2 HA LYS 2 57.263 4.301 0.270 8 HB2 LYS 2 HB2 LYS 2 58.796 1.869 1.266 9 HB3 LYS 2 HB1 LYS 2 57.322 1.876 0.267 10 HG2 LYS 2 HG2 LYS 2 58.613 3.167 -1.487 11 HG3 LYS 2 HG1 LYS 2 60.081 2.905 -0.516 12 HD2 LYS 2 HD2 LYS 2 59.769 0.460 -0.676 13 HD3 LYS 2 HD1 LYS 2 58.281 0.705 -1.622 14 HE2 LYS 2 HE2 LYS 2 60.216 0.225 -3.101 15 HE3 LYS 2 HE1 LYS 2 59.578 1.863 -3.381 16 HZ1 LYS 2 HZ1 LYS 2 61.897 1.205 -1.633 17 HZ2 LYS 2 HZ2 LYS 2 61.311 2.760 -1.984 18 HZ3 LYS 2 HZ3 LYS 2 62.010 1.815 -3.211 19 H GLY 3 HN GLY 3 58.124 5.407 2.978 20 HA2 GLY 3 HA1 GLY 3 57.233 3.968 5.203 21 HA3 GLY 3 HA2 GLY 3 56.807 5.727 4.976 22 H ARG 4 HN ARG 4 55.752 6.245 3.372 23 HA ARG 4 HA ARG 4 54.031 6.255 5.076 24 HB2 ARG 4 HB2 ARG 4 53.469 7.197 2.222 25 HB3 ARG 4 HB1 ARG 4 52.514 7.684 3.644 26 HG2 ARG 4 HG2 ARG 4 54.567 8.575 4.717 27 HG3 ARG 4 HG1 ARG 4 55.516 8.104 3.286 28 HD2 ARG 4 HD2 ARG 4 53.964 9.555 1.893 29 HD3 ARG 4 HD1 ARG 4 53.266 10.152 3.418 30 HE ARG 4 HE ARG 4 55.812 10.959 2.296 31 HH11 ARG 4 HH11 ARG 4 57.541 11.138 3.989 32 HH12 ARG 4 HH12 ARG 4 57.012 11.804 5.498 33 HH21 ARG 4 HH21 ARG 4 53.640 11.447 4.775 34 HH22 ARG 4 HH22 ARG 4 54.803 11.979 5.942 35 H TRP 5 HN TRP 5 54.352 3.980 2.864 36 HA TRP 5 HA TRP 5 51.937 3.044 1.832 37 HB2 TRP 5 HB2 TRP 5 54.214 1.924 1.692 38 HB3 TRP 5 HB1 TRP 5 53.894 1.239 3.303 39 HD1 TRP 5 HD1 TRP 5 52.620 -0.963 3.348 40 HE1 TRP 5 HE1 TRP 5 51.202 -2.359 1.674 41 HE3 TRP 5 HE3 TRP 5 52.490 2.345 -0.557 42 HZ2 TRP 5 HZ2 TRP 5 50.167 -2.051 -0.996 43 HZ3 TRP 5 HZ3 TRP 5 51.282 1.774 -2.658 44 HH2 TRP 5 HH2 TRP 5 50.121 -0.420 -2.881 45 H LEU 6 HN LEU 6 52.753 3.467 5.152 46 HA LEU 6 HA LEU 6 50.314 1.923 6.020 47 HB2 LEU 6 HB2 LEU 6 52.627 2.775 7.797 48 HB3 LEU 6 HB1 LEU 6 51.369 1.561 8.120 49 HG LEU 6 HG LEU 6 53.534 1.347 5.977 50 HD11 LEU 6 HD11 LEU 6 54.404 1.117 8.280 51 HD12 LEU 6 HD12 LEU 6 54.425 -0.449 7.436 52 HD13 LEU 6 HD13 LEU 6 53.157 -0.100 8.635 53 HD21 LEU 6 HD21 LEU 6 51.234 -0.463 6.832 54 HD22 LEU 6 HD22 LEU 6 52.655 -1.085 5.958 55 HD23 LEU 6 HD23 LEU 6 51.612 0.138 5.200 56 H GLU 7 HN GLU 7 51.809 5.080 5.735 57 HA GLU 7 HA GLU 7 50.745 6.477 7.905 58 HB2 GLU 7 HB2 GLU 7 52.142 7.381 5.968 59 HB3 GLU 7 HB1 GLU 7 50.623 7.512 5.050 60 HG2 GLU 7 HG2 GLU 7 49.674 8.983 6.783 61 HG3 GLU 7 HG1 GLU 7 51.154 8.814 7.759 62 H ARG 8 HN ARG 8 49.036 4.878 5.351 63 HA ARG 8 HA ARG 8 46.777 4.722 4.862 64 HB2 ARG 8 HB2 ARG 8 46.867 4.044 7.338 65 HB3 ARG 8 HB1 ARG 8 46.283 5.685 7.703 66 HG2 ARG 8 HG2 ARG 8 44.341 5.270 6.145 67 HG3 ARG 8 HG1 ARG 8 44.892 3.584 5.985 68 HD2 ARG 8 HD2 ARG 8 43.125 3.806 7.722 69 HD3 ARG 8 HD1 ARG 8 44.669 3.263 8.422 70 HE ARG 8 HE ARG 8 44.587 6.107 8.573 71 HH11 ARG 8 HH11 ARG 8 41.768 4.781 9.269 72 HH12 ARG 8 HH12 ARG 8 41.860 4.871 10.996 73 HH21 ARG 8 HH21 ARG 8 45.251 5.593 11.043 74 HH22 ARG 8 HH22 ARG 8 43.832 5.330 12.001 75 H ILE 9 HN ILE 9 47.547 6.844 3.638 76 HA ILE 9 HA ILE 9 46.680 9.382 4.511 77 HB ILE 9 HB ILE 9 48.056 9.189 2.518 78 HG12 ILE 9 HG12 ILE 9 46.880 10.659 0.970 79 HG13 ILE 9 HG11 ILE 9 45.302 10.174 1.624 80 HG21 ILE 9 HG21 ILE 9 46.968 6.951 1.828 81 HG22 ILE 9 HG22 ILE 9 47.426 8.065 0.521 82 HG23 ILE 9 HG23 ILE 9 45.726 7.934 1.020 83 HD11 ILE 9 HD1 ILE 9 45.655 11.329 3.663 84 HD12 ILE 9 HD2 ILE 9 46.344 12.427 2.445 85 HD13 ILE 9 HD3 ILE 9 47.419 11.402 3.427 86 H GLY 10 HN GLY 10 44.757 9.964 5.228 87 HA2 GLY 10 HA1 GLY 10 42.354 9.283 3.600 88 HA3 GLY 10 HA2 GLY 10 42.375 8.772 5.301 89 H LYS 11 HN LYS 11 43.876 11.724 4.063 90 HA LYS 11 HA LYS 11 41.610 13.394 5.009 91 HB2 LYS 11 HB2 LYS 11 44.375 13.449 6.287 92 HB3 LYS 11 HB1 LYS 11 43.172 14.747 6.465 93 HG2 LYS 11 HG2 LYS 11 41.547 12.978 7.330 94 HG3 LYS 11 HG1 LYS 11 42.923 11.850 7.372 95 HD2 LYS 11 HD2 LYS 11 44.138 13.327 8.904 96 HD3 LYS 11 HD1 LYS 11 42.835 14.536 8.811 97 HE2 LYS 11 HE2 LYS 11 42.672 13.122 10.867 98 HE3 LYS 11 HE1 LYS 11 41.249 12.951 9.811 99 HZ1 LYS 11 HZ1 LYS 11 41.708 10.814 9.457 100 HZ2 LYS 11 HZ2 LYS 11 42.804 10.917 10.752 101 HZ3 LYS 11 HZ3 LYS 11 43.351 11.110 9.155 102 H ALA 12 HN ALA 12 42.721 12.886 2.429 103 HA ALA 12 HA ALA 12 44.519 15.112 1.768 104 HB1 ALA 12 HB1 ALA 12 42.899 13.379 -0.122 105 HB2 ALA 12 HB2 ALA 12 44.448 12.869 0.591 106 HB3 ALA 12 HB3 ALA 12 44.385 14.293 -0.476 107 H GLY 13 HN GLY 13 42.616 16.399 3.036 108 HA2 GLY 13 HA1 GLY 13 41.019 18.060 2.834 109 HA3 GLY 13 HA2 GLY 13 41.631 18.277 1.183 110 H PHE 14 HN PHE 14 39.561 16.046 3.087 111 HA PHE 14 HA PHE 14 37.587 14.980 2.502 112 HB2 PHE 14 HB2 PHE 14 37.238 17.438 0.738 113 HB3 PHE 14 HB1 PHE 14 35.949 16.318 1.240 114 HD1 PHE 14 HD1 PHE 14 38.282 18.970 2.352 115 HD2 PHE 14 HD2 PHE 14 35.142 16.265 3.556 116 HE1 PHE 14 HE1 PHE 14 38.000 20.243 4.476 117 HE2 PHE 14 HE2 PHE 14 34.861 17.537 5.681 118 HZ PHE 14 HZ PHE 14 36.236 19.572 6.102 119 H ILE 15 HN ILE 15 40.031 14.419 0.934 120 HA ILE 15 HA ILE 15 40.609 13.177 -0.905 121 HB ILE 15 HB ILE 15 37.645 12.690 -1.411 122 HG12 ILE 15 HG12 ILE 15 39.513 11.302 0.568 123 HG13 ILE 15 HG11 ILE 15 38.101 12.298 0.985 124 HG21 ILE 15 HG21 ILE 15 40.026 10.827 -1.764 125 HG22 ILE 15 HG22 ILE 15 39.466 11.922 -3.049 126 HG23 ILE 15 HG23 ILE 15 38.385 10.654 -2.433 127 HD11 ILE 15 HD1 ILE 15 37.282 10.077 1.109 128 HD12 ILE 15 HD2 ILE 15 38.166 9.573 -0.349 129 HD13 ILE 15 HD3 ILE 15 36.741 10.632 -0.493 130 H ILE 16 HN ILE 16 41.063 15.478 -1.512 131 HA ILE 16 HA ILE 16 39.828 15.987 -4.203 132 HB ILE 16 HB ILE 16 40.568 18.040 -2.082 133 HG12 ILE 16 HG12 ILE 16 38.319 16.741 -1.861 134 HG13 ILE 16 HG11 ILE 16 38.267 18.508 -1.786 135 HG21 ILE 16 HG21 ILE 16 41.132 18.951 -4.240 136 HG22 ILE 16 HG22 ILE 16 39.568 19.665 -3.792 137 HG23 ILE 16 HG23 ILE 16 39.634 18.331 -4.969 138 HD11 ILE 16 HD1 ILE 16 36.481 17.406 -3.246 139 HD12 ILE 16 HD2 ILE 16 37.780 16.967 -4.373 140 HD13 ILE 16 HD3 ILE 16 37.438 18.676 -4.037 141 H ILE 17 HN ILE 17 42.476 16.828 -1.922 142 HA ILE 17 HA ILE 17 44.326 17.547 -4.029 143 HB ILE 17 HB ILE 17 45.036 16.496 -1.252 144 HG12 ILE 17 HG12 ILE 17 43.472 18.235 -0.794 145 HG13 ILE 17 HG11 ILE 17 45.057 19.013 -0.646 146 HG21 ILE 17 HG21 ILE 17 46.471 18.189 -3.335 147 HG22 ILE 17 HG22 ILE 17 46.996 16.671 -2.579 148 HG23 ILE 17 HG23 ILE 17 46.973 18.171 -1.628 149 HD11 ILE 17 HD1 ILE 17 43.704 20.523 -1.917 150 HD12 ILE 17 HD2 ILE 17 43.074 19.215 -2.942 151 HD13 ILE 17 HD3 ILE 17 44.764 19.735 -3.105 152 H GLY 18 HN GLY 18 43.663 14.610 -2.142 153 HA2 GLY 18 HA1 GLY 18 45.708 13.061 -3.581 154 HA3 GLY 18 HA2 GLY 18 44.558 12.460 -2.368 155 H GLY 19 HN GLY 19 42.150 13.366 -3.472 156 HA2 GLY 19 HA1 GLY 19 41.569 11.255 -5.293 157 HA3 GLY 19 HA2 GLY 19 40.548 12.674 -4.991 158 H ALA 20 HN ALA 20 42.375 14.686 -5.844 159 HA ALA 20 HA ALA 20 41.712 15.021 -8.507 160 HB1 ALA 20 HB1 ALA 20 43.793 16.441 -8.681 161 HB2 ALA 20 HB2 ALA 20 44.247 15.849 -7.063 162 HB3 ALA 20 HB3 ALA 20 42.755 16.797 -7.280 163 H LEU 21 HN LEU 21 44.274 12.970 -7.208 164 HA LEU 21 HA LEU 21 45.568 12.547 -9.789 165 HB2 LEU 21 HB2 LEU 21 45.706 11.184 -7.078 166 HB3 LEU 21 HB1 LEU 21 46.580 10.539 -8.486 167 HG LEU 21 HG LEU 21 47.781 12.660 -8.762 168 HD11 LEU 21 HD11 LEU 21 46.236 14.334 -8.081 169 HD12 LEU 21 HD12 LEU 21 47.495 14.376 -6.827 170 HD13 LEU 21 HD13 LEU 21 45.946 13.557 -6.506 171 HD21 LEU 21 HD21 LEU 21 47.801 11.734 -5.853 172 HD22 LEU 21 HD22 LEU 21 49.117 12.590 -6.693 173 HD23 LEU 21 HD23 LEU 21 48.669 10.938 -7.187 174 H ASP 22 HN ASP 22 43.309 10.658 -7.737 175 HA ASP 22 HA ASP 22 43.095 8.354 -9.319 176 HB2 ASP 22 HB2 ASP 22 41.985 8.798 -7.087 177 HB3 ASP 22 HB1 ASP 22 40.752 9.739 -7.961 178 H HIS 23 HN HIS 23 40.594 10.924 -9.385 179 HA HIS 23 HA HIS 23 40.716 11.246 -12.257 180 HB2 HIS 23 HB2 HIS 23 39.747 8.974 -12.223 181 HB3 HIS 23 HB1 HIS 23 38.436 9.548 -11.165 182 HD1 HIS 23 HD1 HIS 23 39.981 10.973 -14.398 183 HD2 HIS 23 HD2 HIS 23 36.233 10.020 -12.745 184 HE1 HIS 23 HE1 HIS 23 38.206 11.575 -16.136 185 H LEU 24 HN LEU 24 40.851 13.271 -10.742 186 HA LEU 24 HA LEU 24 38.291 14.653 -11.066 187 HB2 LEU 24 HB2 LEU 24 38.091 13.410 -8.837 188 HB3 LEU 24 HB1 LEU 24 39.419 14.435 -8.253 189 HG LEU 24 HG LEU 24 37.905 16.438 -9.133 190 HD11 LEU 24 HD11 LEU 24 35.881 14.179 -8.768 191 HD12 LEU 24 HD12 LEU 24 36.167 15.132 -10.244 192 HD13 LEU 24 HD13 LEU 24 35.459 15.904 -8.809 193 HD21 LEU 24 HD21 LEU 24 36.779 16.540 -6.921 194 HD22 LEU 24 HD22 LEU 24 38.482 16.051 -6.762 195 HD23 LEU 24 HD23 LEU 24 37.190 14.832 -6.637 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 52.790 -3.924 9.393 2 H2 GLY 1 HT2 GLY 1 54.062 -4.886 9.980 3 H3 GLY 1 HT3 GLY 1 52.824 -5.583 9.047 4 HA2 GLY 1 HA1 GLY 1 55.104 -5.025 8.019 5 HA3 GLY 1 HA2 GLY 1 53.592 -4.801 7.116 6 H LYS 2 HN LYS 2 54.566 -3.217 5.801 7 HA LYS 2 HA LYS 2 55.714 -0.811 6.997 8 HB2 LYS 2 HB2 LYS 2 54.784 -1.440 4.168 9 HB3 LYS 2 HB1 LYS 2 55.658 0.035 4.646 10 HG2 LYS 2 HG2 LYS 2 57.518 -1.402 5.524 11 HG3 LYS 2 HG1 LYS 2 56.659 -2.834 4.903 12 HD2 LYS 2 HD2 LYS 2 56.837 -2.051 2.624 13 HD3 LYS 2 HD1 LYS 2 57.442 -0.463 3.157 14 HE2 LYS 2 HE2 LYS 2 59.477 -1.508 4.057 15 HE3 LYS 2 HE1 LYS 2 58.868 -3.121 3.614 16 HZ1 LYS 2 HZ1 LYS 2 60.152 -1.152 1.983 17 HZ2 LYS 2 HZ2 LYS 2 58.669 -1.643 1.316 18 HZ3 LYS 2 HZ3 LYS 2 59.867 -2.794 1.670 19 H GLY 3 HN GLY 3 53.681 -0.681 8.448 20 HA2 GLY 3 HA1 GLY 3 51.123 0.127 7.625 21 HA3 GLY 3 HA2 GLY 3 51.965 0.903 9.043 22 H ARG 4 HN ARG 4 53.693 1.830 8.728 23 HA ARG 4 HA ARG 4 52.176 3.716 8.844 24 HB2 ARG 4 HB2 ARG 4 55.210 4.034 8.682 25 HB3 ARG 4 HB1 ARG 4 54.124 5.333 9.237 26 HG2 ARG 4 HG2 ARG 4 53.267 3.919 11.035 27 HG3 ARG 4 HG1 ARG 4 54.203 2.528 10.435 28 HD2 ARG 4 HD2 ARG 4 56.297 3.606 10.962 29 HD3 ARG 4 HD1 ARG 4 55.482 5.150 11.308 30 HE ARG 4 HE ARG 4 55.195 4.322 13.489 31 HH11 ARG 4 HH11 ARG 4 56.885 1.866 12.435 32 HH12 ARG 4 HH12 ARG 4 55.918 0.576 13.068 33 HH21 ARG 4 HH21 ARG 4 53.201 2.610 13.783 34 HH22 ARG 4 HH22 ARG 4 53.832 0.997 13.831 35 H TRP 5 HN TRP 5 53.452 2.606 6.141 36 HA TRP 5 HA TRP 5 54.209 4.600 4.342 37 HB2 TRP 5 HB2 TRP 5 53.879 2.141 3.832 38 HB3 TRP 5 HB1 TRP 5 52.139 2.474 3.668 39 HD1 TRP 5 HD1 TRP 5 51.379 3.123 1.334 40 HE1 TRP 5 HE1 TRP 5 52.483 4.040 -0.835 41 HE3 TRP 5 HE3 TRP 5 56.143 3.798 3.081 42 HZ2 TRP 5 HZ2 TRP 5 55.093 4.937 -1.664 43 HZ3 TRP 5 HZ3 TRP 5 57.924 4.684 1.584 44 HH2 TRP 5 HH2 TRP 5 57.403 5.254 -0.785 45 H LEU 6 HN LEU 6 51.206 4.337 6.006 46 HA LEU 6 HA LEU 6 49.984 6.476 4.265 47 HB2 LEU 6 HB2 LEU 6 48.501 4.600 6.140 48 HB3 LEU 6 HB1 LEU 6 47.829 5.647 4.870 49 HG LEU 6 HG LEU 6 49.663 3.249 4.415 50 HD11 LEU 6 HD11 LEU 6 47.651 2.201 3.455 51 HD12 LEU 6 HD12 LEU 6 46.698 3.658 3.821 52 HD13 LEU 6 HD13 LEU 6 47.354 2.666 5.146 53 HD21 LEU 6 HD21 LEU 6 50.088 4.786 2.637 54 HD22 LEU 6 HD22 LEU 6 48.384 5.299 2.559 55 HD23 LEU 6 HD23 LEU 6 48.857 3.684 1.979 56 H GLU 7 HN GLU 7 51.267 5.672 7.413 57 HA GLU 7 HA GLU 7 49.766 7.197 9.181 58 HB2 GLU 7 HB2 GLU 7 51.872 5.911 9.694 59 HB3 GLU 7 HB1 GLU 7 52.801 7.278 9.030 60 HG2 GLU 7 HG2 GLU 7 51.852 8.793 10.695 61 HG3 GLU 7 HG1 GLU 7 50.780 7.508 11.304 62 H ARG 8 HN ARG 8 51.771 8.334 6.534 63 HA ARG 8 HA ARG 8 51.925 11.088 7.441 64 HB2 ARG 8 HB2 ARG 8 52.120 10.066 4.584 65 HB3 ARG 8 HB1 ARG 8 52.827 11.553 5.262 66 HG2 ARG 8 HG2 ARG 8 54.187 10.110 6.827 67 HG3 ARG 8 HG1 ARG 8 53.582 8.681 5.953 68 HD2 ARG 8 HD2 ARG 8 55.716 9.236 4.978 69 HD3 ARG 8 HD1 ARG 8 54.472 9.752 3.814 70 HE ARG 8 HE ARG 8 55.041 11.963 5.513 71 HH11 ARG 8 HH11 ARG 8 57.689 12.038 5.536 72 HH12 ARG 8 HH12 ARG 8 58.266 12.350 3.933 73 HH21 ARG 8 HH21 ARG 8 55.283 11.468 2.401 74 HH22 ARG 8 HH22 ARG 8 56.905 12.027 2.159 75 H ILE 9 HN ILE 9 51.086 11.881 4.537 76 HA ILE 9 HA ILE 9 48.555 12.982 5.254 77 HB ILE 9 HB ILE 9 48.314 13.327 2.706 78 HG12 ILE 9 HG12 ILE 9 51.233 12.454 2.574 79 HG13 ILE 9 HG11 ILE 9 49.954 11.245 2.349 80 HG21 ILE 9 HG21 ILE 9 49.280 15.008 4.264 81 HG22 ILE 9 HG22 ILE 9 50.090 15.045 2.681 82 HG23 ILE 9 HG23 ILE 9 50.884 14.261 4.068 83 HD11 ILE 9 HD1 ILE 9 50.607 12.115 0.168 84 HD12 ILE 9 HD2 ILE 9 50.353 13.788 0.713 85 HD13 ILE 9 HD3 ILE 9 48.965 12.686 0.540 86 H GLY 10 HN GLY 10 48.062 11.585 2.214 87 HA2 GLY 10 HA1 GLY 10 46.680 9.880 1.470 88 HA3 GLY 10 HA2 GLY 10 46.955 9.043 3.011 89 H LYS 11 HN LYS 11 45.606 12.292 2.498 90 HA LYS 11 HA LYS 11 43.479 11.934 4.337 91 HB2 LYS 11 HB2 LYS 11 44.356 14.117 3.371 92 HB3 LYS 11 HB1 LYS 11 43.419 13.755 1.903 93 HG2 LYS 11 HG2 LYS 11 41.352 13.570 3.318 94 HG3 LYS 11 HG1 LYS 11 42.317 14.070 4.729 95 HD2 LYS 11 HD2 LYS 11 42.897 16.190 3.586 96 HD3 LYS 11 HD1 LYS 11 41.933 15.692 2.173 97 HE2 LYS 11 HE2 LYS 11 39.933 15.489 3.726 98 HE3 LYS 11 HE1 LYS 11 40.929 16.242 4.995 99 HZ1 LYS 11 HZ1 LYS 11 40.925 18.239 3.940 100 HZ2 LYS 11 HZ2 LYS 11 39.430 17.662 3.377 101 HZ3 LYS 11 HZ3 LYS 11 40.806 17.570 2.386 102 H ALA 12 HN ALA 12 43.751 11.147 0.897 103 HA ALA 12 HA ALA 12 41.194 9.629 1.095 104 HB1 ALA 12 HB1 ALA 12 40.224 10.682 -0.831 105 HB2 ALA 12 HB2 ALA 12 41.690 11.660 -1.106 106 HB3 ALA 12 HB3 ALA 12 40.660 11.970 0.315 107 H GLY 13 HN GLY 13 44.230 10.447 -0.406 108 HA2 GLY 13 HA1 GLY 13 45.185 8.040 -1.133 109 HA3 GLY 13 HA2 GLY 13 44.008 8.304 -2.443 110 H PHE 14 HN PHE 14 46.314 10.342 -0.629 111 HA PHE 14 HA PHE 14 48.087 11.625 -1.383 112 HB2 PHE 14 HB2 PHE 14 47.699 10.737 -4.255 113 HB3 PHE 14 HB1 PHE 14 49.197 11.161 -3.397 114 HD1 PHE 14 HD1 PHE 14 47.648 8.443 -4.822 115 HD2 PHE 14 HD2 PHE 14 49.321 9.632 -1.022 116 HE1 PHE 14 HE1 PHE 14 48.031 6.053 -4.240 117 HE2 PHE 14 HE2 PHE 14 49.701 7.239 -0.444 118 HZ PHE 14 HZ PHE 14 49.125 5.455 -2.084 119 H ILE 15 HN ILE 15 45.029 12.128 -1.641 120 HA ILE 15 HA ILE 15 43.723 13.917 -2.255 121 HB ILE 15 HB ILE 15 46.266 15.428 -2.990 122 HG12 ILE 15 HG12 ILE 15 45.036 14.983 -0.228 123 HG13 ILE 15 HG11 ILE 15 46.607 14.361 -0.781 124 HG21 ILE 15 HG21 ILE 15 43.898 16.356 -3.419 125 HG22 ILE 15 HG22 ILE 15 44.990 17.379 -2.464 126 HG23 ILE 15 HG23 ILE 15 43.720 16.429 -1.653 127 HD11 ILE 15 HD1 ILE 15 45.795 17.237 -0.248 128 HD12 ILE 15 HD2 ILE 15 47.203 16.849 -1.267 129 HD13 ILE 15 HD3 ILE 15 47.160 16.324 0.433 130 H ILE 16 HN ILE 16 43.544 12.113 -4.007 131 HA ILE 16 HA ILE 16 43.902 13.489 -6.666 132 HB ILE 16 HB ILE 16 45.509 11.561 -6.290 133 HG12 ILE 16 HG12 ILE 16 44.896 10.407 -8.484 134 HG13 ILE 16 HG11 ILE 16 43.392 11.352 -8.486 135 HG21 ILE 16 HG21 ILE 16 44.731 9.320 -6.154 136 HG22 ILE 16 HG22 ILE 16 43.061 9.781 -6.553 137 HG23 ILE 16 HG23 ILE 16 43.753 10.218 -4.973 138 HD11 ILE 16 HD1 ILE 16 46.027 12.824 -8.174 139 HD12 ILE 16 HD2 ILE 16 44.504 13.376 -8.911 140 HD13 ILE 16 HD3 ILE 16 45.552 12.239 -9.784 141 H ILE 17 HN ILE 17 42.095 10.930 -4.870 142 HA ILE 17 HA ILE 17 39.953 10.874 -6.806 143 HB ILE 17 HB ILE 17 40.237 9.012 -5.213 144 HG12 ILE 17 HG12 ILE 17 37.939 8.773 -4.415 145 HG13 ILE 17 HG11 ILE 17 37.669 10.525 -4.524 146 HG21 ILE 17 HG21 ILE 17 41.137 10.486 -3.369 147 HG22 ILE 17 HG22 ILE 17 39.926 9.299 -2.825 148 HG23 ILE 17 HG23 ILE 17 39.465 11.004 -3.044 149 HD11 ILE 17 HD1 ILE 17 38.503 8.950 -6.985 150 HD12 ILE 17 HD2 ILE 17 37.632 10.500 -6.888 151 HD13 ILE 17 HD3 ILE 17 36.800 8.986 -6.469 152 H GLY 18 HN GLY 18 40.717 12.705 -3.902 153 HA2 GLY 18 HA1 GLY 18 38.163 14.216 -4.023 154 HA3 GLY 18 HA2 GLY 18 39.439 14.356 -2.793 155 H GLY 19 HN GLY 19 41.701 14.694 -4.354 156 HA2 GLY 19 HA1 GLY 19 41.690 17.473 -4.841 157 HA3 GLY 19 HA2 GLY 19 42.865 16.326 -5.516 158 H ALA 20 HN ALA 20 40.878 14.778 -6.973 159 HA ALA 20 HA ALA 20 41.028 15.978 -9.487 160 HB1 ALA 20 HB1 ALA 20 39.073 14.512 -10.087 161 HB2 ALA 20 HB2 ALA 20 38.915 14.115 -8.359 162 HB3 ALA 20 HB3 ALA 20 40.394 13.668 -9.243 163 H LEU 21 HN LEU 21 38.332 16.205 -7.127 164 HA LEU 21 HA LEU 21 36.523 17.664 -7.060 165 HB2 LEU 21 HB2 LEU 21 38.526 19.521 -8.405 166 HB3 LEU 21 HB1 LEU 21 37.022 20.032 -7.610 167 HG LEU 21 HG LEU 21 39.174 18.431 -6.158 168 HD11 LEU 21 HD11 LEU 21 39.977 20.583 -5.234 169 HD12 LEU 21 HD12 LEU 21 38.830 21.461 -6.275 170 HD13 LEU 21 HD13 LEU 21 40.167 20.538 -7.003 171 HD21 LEU 21 HD21 LEU 21 38.048 19.681 -4.173 172 HD22 LEU 21 HD22 LEU 21 37.125 18.367 -4.929 173 HD23 LEU 21 HD23 LEU 21 36.737 20.060 -5.312 174 H ASP 22 HN ASP 22 37.151 16.023 -9.574 175 HA ASP 22 HA ASP 22 36.036 17.599 -11.769 176 HB2 ASP 22 HB2 ASP 22 36.428 14.596 -11.439 177 HB3 ASP 22 HB1 ASP 22 36.010 15.425 -12.960 178 H HIS 23 HN HIS 23 34.398 17.685 -9.421 179 HA HIS 23 HA HIS 23 32.173 17.456 -8.822 180 HB2 HIS 23 HB2 HIS 23 31.678 16.681 -11.718 181 HB3 HIS 23 HB1 HIS 23 30.533 17.426 -10.576 182 HD1 HIS 23 HD1 HIS 23 33.297 18.198 -12.966 183 HD2 HIS 23 HD2 HIS 23 31.088 20.209 -10.006 184 HE1 HIS 23 HE1 HIS 23 33.768 20.697 -13.230 185 H LEU 24 HN LEU 24 34.113 14.973 -9.513 186 HA LEU 24 HA LEU 24 33.964 12.670 -9.331 187 HB2 LEU 24 HB2 LEU 24 33.131 13.705 -7.045 188 HB3 LEU 24 HB1 LEU 24 31.556 13.061 -7.534 189 HG LEU 24 HG LEU 24 32.575 11.378 -6.174 190 HD11 LEU 24 HD11 LEU 24 31.503 10.629 -8.343 191 HD12 LEU 24 HD12 LEU 24 32.665 9.480 -7.642 192 HD13 LEU 24 HD13 LEU 24 33.139 10.482 -9.030 193 HD21 LEU 24 HD21 LEU 24 34.978 12.381 -6.587 194 HD22 LEU 24 HD22 LEU 24 35.060 11.213 -7.924 195 HD23 LEU 24 HD23 LEU 24 34.813 10.644 -6.262 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 61.122 1.227 11.660 2 H2 GLY 1 HT2 GLY 1 61.580 2.839 11.375 3 H3 GLY 1 HT3 GLY 1 62.672 1.754 12.097 4 HA2 GLY 1 HA1 GLY 1 62.943 2.326 9.657 5 HA3 GLY 1 HA2 GLY 1 63.092 0.640 10.190 6 H LYS 2 HN LYS 2 61.770 2.617 7.899 7 HA LYS 2 HA LYS 2 60.043 2.369 6.363 8 HB2 LYS 2 HB2 LYS 2 60.282 -0.595 6.990 9 HB3 LYS 2 HB1 LYS 2 59.745 0.158 5.469 10 HG2 LYS 2 HG2 LYS 2 62.017 1.201 5.237 11 HG3 LYS 2 HG1 LYS 2 62.537 0.308 6.686 12 HD2 LYS 2 HD2 LYS 2 62.068 -1.831 5.588 13 HD3 LYS 2 HD1 LYS 2 61.420 -0.986 4.161 14 HE2 LYS 2 HE2 LYS 2 63.583 -0.047 3.635 15 HE3 LYS 2 HE1 LYS 2 64.265 -0.607 5.182 16 HZ1 LYS 2 HZ1 LYS 2 64.519 -2.683 4.407 17 HZ2 LYS 2 HZ2 LYS 2 64.442 -1.959 2.872 18 HZ3 LYS 2 HZ3 LYS 2 63.057 -2.675 3.547 19 H GLY 3 HN GLY 3 57.920 0.711 6.041 20 HA2 GLY 3 HA1 GLY 3 56.097 -0.265 7.589 21 HA3 GLY 3 HA2 GLY 3 56.262 1.268 8.563 22 H ARG 4 HN ARG 4 56.678 2.957 7.635 23 HA ARG 4 HA ARG 4 54.288 3.198 7.950 24 HB2 ARG 4 HB2 ARG 4 55.998 5.470 6.829 25 HB3 ARG 4 HB1 ARG 4 54.414 5.704 7.611 26 HG2 ARG 4 HG2 ARG 4 55.220 4.718 9.684 27 HG3 ARG 4 HG1 ARG 4 56.759 4.255 8.917 28 HD2 ARG 4 HD2 ARG 4 55.763 7.118 9.260 29 HD3 ARG 4 HD1 ARG 4 56.985 6.328 10.284 30 HE ARG 4 HE ARG 4 57.803 6.115 7.550 31 HH11 ARG 4 HH11 ARG 4 58.403 8.161 6.453 32 HH12 ARG 4 HH12 ARG 4 59.146 9.358 7.460 33 HH21 ARG 4 HH21 ARG 4 58.299 7.769 10.425 34 HH22 ARG 4 HH22 ARG 4 59.087 9.136 9.710 35 H TRP 5 HN TRP 5 55.663 2.511 5.162 36 HA TRP 5 HA TRP 5 54.559 3.779 2.956 37 HB2 TRP 5 HB2 TRP 5 56.027 1.760 2.877 38 HB3 TRP 5 HB1 TRP 5 54.622 0.755 3.309 39 HD1 TRP 5 HD1 TRP 5 53.064 0.039 1.409 40 HE1 TRP 5 HE1 TRP 5 52.855 0.547 -1.133 41 HE3 TRP 5 HE3 TRP 5 56.475 3.840 1.066 42 HZ2 TRP 5 HZ2 TRP 5 54.030 2.368 -3.030 43 HZ3 TRP 5 HZ3 TRP 5 56.916 4.948 -1.120 44 HH2 TRP 5 HH2 TRP 5 55.698 4.216 -3.166 45 H LEU 6 HN LEU 6 52.821 2.130 5.445 46 HA LEU 6 HA LEU 6 50.262 2.391 3.868 47 HB2 LEU 6 HB2 LEU 6 50.811 0.417 6.113 48 HB3 LEU 6 HB1 LEU 6 49.392 0.482 5.046 49 HG LEU 6 HG LEU 6 52.248 -0.050 4.100 50 HD11 LEU 6 HD11 LEU 6 51.578 -2.382 3.898 51 HD12 LEU 6 HD12 LEU 6 49.921 -1.993 4.420 52 HD13 LEU 6 HD13 LEU 6 51.273 -1.851 5.568 53 HD21 LEU 6 HD21 LEU 6 51.006 0.857 2.268 54 HD22 LEU 6 HD22 LEU 6 49.521 -0.003 2.738 55 HD23 LEU 6 HD23 LEU 6 50.894 -0.902 2.051 56 H GLU 7 HN GLU 7 52.112 3.379 6.641 57 HA GLU 7 HA GLU 7 49.680 4.072 8.209 58 HB2 GLU 7 HB2 GLU 7 52.613 4.680 8.745 59 HB3 GLU 7 HB1 GLU 7 51.263 4.861 9.888 60 HG2 GLU 7 HG2 GLU 7 50.805 2.413 9.696 61 HG3 GLU 7 HG1 GLU 7 52.210 2.254 8.614 62 H ARG 8 HN ARG 8 51.544 5.380 5.695 63 HA ARG 8 HA ARG 8 51.214 8.204 6.478 64 HB2 ARG 8 HB2 ARG 8 53.153 7.316 5.111 65 HB3 ARG 8 HB1 ARG 8 52.005 7.026 3.787 66 HG2 ARG 8 HG2 ARG 8 53.071 9.179 3.410 67 HG3 ARG 8 HG1 ARG 8 51.377 9.465 3.857 68 HD2 ARG 8 HD2 ARG 8 53.397 9.434 6.100 69 HD3 ARG 8 HD1 ARG 8 53.398 10.837 5.009 70 HE ARG 8 HE ARG 8 50.709 10.431 5.707 71 HH11 ARG 8 HH11 ARG 8 50.858 12.875 6.531 72 HH12 ARG 8 HH12 ARG 8 51.410 12.938 8.172 73 HH21 ARG 8 HH21 ARG 8 52.659 9.703 8.152 74 HH22 ARG 8 HH22 ARG 8 52.431 11.141 9.089 75 H ILE 9 HN ILE 9 49.162 8.953 6.515 76 HA ILE 9 HA ILE 9 47.067 7.929 4.847 77 HB ILE 9 HB ILE 9 46.561 9.127 6.920 78 HG12 ILE 9 HG12 ILE 9 45.554 10.756 4.537 79 HG13 ILE 9 HG11 ILE 9 44.940 9.146 4.975 80 HG21 ILE 9 HG21 ILE 9 48.557 10.787 6.529 81 HG22 ILE 9 HG22 ILE 9 47.095 11.387 7.344 82 HG23 ILE 9 HG23 ILE 9 47.370 11.758 5.628 83 HD11 ILE 9 HD1 ILE 9 44.417 10.060 7.280 84 HD12 ILE 9 HD2 ILE 9 43.467 10.793 5.967 85 HD13 ILE 9 HD3 ILE 9 44.843 11.677 6.668 86 H GLY 10 HN GLY 10 47.036 8.002 2.713 87 HA2 GLY 10 HA1 GLY 10 48.507 10.024 1.226 88 HA3 GLY 10 HA2 GLY 10 47.456 8.760 0.557 89 H LYS 11 HN LYS 11 45.308 9.799 2.533 90 HA LYS 11 HA LYS 11 44.001 11.500 0.587 91 HB2 LYS 11 HB2 LYS 11 43.351 10.846 3.485 92 HB3 LYS 11 HB1 LYS 11 42.291 11.791 2.410 93 HG2 LYS 11 HG2 LYS 11 42.283 9.867 0.799 94 HG3 LYS 11 HG1 LYS 11 43.227 8.920 1.975 95 HD2 LYS 11 HD2 LYS 11 41.443 9.068 3.620 96 HD3 LYS 11 HD1 LYS 11 40.525 10.190 2.587 97 HE2 LYS 11 HE2 LYS 11 40.350 8.415 0.846 98 HE3 LYS 11 HE1 LYS 11 41.213 7.293 1.925 99 HZ1 LYS 11 HZ1 LYS 11 39.171 6.792 2.650 100 HZ2 LYS 11 HZ2 LYS 11 38.470 8.203 2.014 101 HZ3 LYS 11 HZ3 LYS 11 39.258 8.246 3.518 102 H ALA 12 HN ALA 12 45.033 13.393 0.160 103 HA ALA 12 HA ALA 12 46.291 15.037 2.140 104 HB1 ALA 12 HB1 ALA 12 46.598 15.152 -0.370 105 HB2 ALA 12 HB2 ALA 12 46.367 16.725 0.433 106 HB3 ALA 12 HB3 ALA 12 45.020 15.971 -0.455 107 H GLY 13 HN GLY 13 43.094 14.196 1.855 108 HA2 GLY 13 HA1 GLY 13 41.156 15.060 2.770 109 HA3 GLY 13 HA2 GLY 13 42.199 16.043 3.817 110 H PHE 14 HN PHE 14 43.013 16.634 0.639 111 HA PHE 14 HA PHE 14 41.648 19.258 0.727 112 HB2 PHE 14 HB2 PHE 14 44.132 18.463 -0.131 113 HB3 PHE 14 HB1 PHE 14 43.270 18.460 -1.681 114 HD1 PHE 14 HD1 PHE 14 41.289 20.711 -1.109 115 HD2 PHE 14 HD2 PHE 14 45.530 20.390 -0.373 116 HE1 PHE 14 HE1 PHE 14 41.494 23.189 -1.219 117 HE2 PHE 14 HE2 PHE 14 45.735 22.870 -0.481 118 HZ PHE 14 HZ PHE 14 43.717 24.270 -0.902 119 H ILE 15 HN ILE 15 42.114 16.906 -1.963 120 HA ILE 15 HA ILE 15 39.225 16.702 -2.401 121 HB ILE 15 HB ILE 15 39.400 17.540 -4.813 122 HG12 ILE 15 HG12 ILE 15 41.946 18.830 -3.724 123 HG13 ILE 15 HG11 ILE 15 41.902 17.491 -4.894 124 HG21 ILE 15 HG21 ILE 15 38.901 19.797 -4.239 125 HG22 ILE 15 HG22 ILE 15 39.960 19.761 -2.812 126 HG23 ILE 15 HG23 ILE 15 38.429 18.858 -2.807 127 HD11 ILE 15 HD1 ILE 15 40.958 20.354 -5.267 128 HD12 ILE 15 HD2 ILE 15 40.412 19.045 -6.344 129 HD13 ILE 15 HD3 ILE 15 42.142 19.444 -6.232 130 H ILE 16 HN ILE 16 40.774 14.736 -1.725 131 HA ILE 16 HA ILE 16 41.707 13.324 -4.193 132 HB ILE 16 HB ILE 16 41.821 12.585 -1.244 133 HG12 ILE 16 HG12 ILE 16 43.230 14.517 -1.650 134 HG13 ILE 16 HG11 ILE 16 44.279 13.097 -1.474 135 HG21 ILE 16 HG21 ILE 16 41.986 10.505 -2.299 136 HG22 ILE 16 HG22 ILE 16 43.696 10.985 -2.316 137 HG23 ILE 16 HG23 ILE 16 42.704 11.178 -3.779 138 HD11 ILE 16 HD1 ILE 16 43.607 14.676 -3.974 139 HD12 ILE 16 HD2 ILE 16 44.116 12.978 -4.110 140 HD13 ILE 16 HD3 ILE 16 45.195 14.171 -3.359 141 H ILE 17 HN ILE 17 39.847 12.475 -1.235 142 HA ILE 17 HA ILE 17 38.504 10.298 -2.594 143 HB ILE 17 HB ILE 17 38.801 10.223 -0.159 144 HG12 ILE 17 HG12 ILE 17 36.533 9.664 0.547 145 HG13 ILE 17 HG11 ILE 17 35.830 10.641 -0.759 146 HG21 ILE 17 HG21 ILE 17 37.682 11.820 1.324 147 HG22 ILE 17 HG22 ILE 17 36.968 12.659 -0.073 148 HG23 ILE 17 HG23 ILE 17 38.728 12.698 0.185 149 HD11 ILE 17 HD1 ILE 17 36.487 9.099 -2.432 150 HD12 ILE 17 HD2 ILE 17 36.010 8.041 -1.084 151 HD13 ILE 17 HD3 ILE 17 37.732 8.358 -1.397 152 H GLY 18 HN GLY 18 37.798 13.693 -1.905 153 HA2 GLY 18 HA1 GLY 18 35.030 13.526 -2.825 154 HA3 GLY 18 HA2 GLY 18 35.951 15.000 -2.461 155 H GLY 19 HN GLY 19 38.084 14.889 -4.131 156 HA2 GLY 19 HA1 GLY 19 36.909 15.691 -6.629 157 HA3 GLY 19 HA2 GLY 19 38.640 15.478 -6.301 158 H ALA 20 HN ALA 20 38.788 12.804 -5.646 159 HA ALA 20 HA ALA 20 39.113 10.787 -6.751 160 HB1 ALA 20 HB1 ALA 20 37.083 9.795 -7.740 161 HB2 ALA 20 HB2 ALA 20 36.287 11.388 -7.693 162 HB3 ALA 20 HB3 ALA 20 36.738 10.572 -6.177 163 H LEU 21 HN LEU 21 39.452 13.516 -8.256 164 HA LEU 21 HA LEU 21 40.122 14.168 -10.379 165 HB2 LEU 21 HB2 LEU 21 40.658 11.235 -10.956 166 HB3 LEU 21 HB1 LEU 21 41.522 12.665 -11.570 167 HG LEU 21 HG LEU 21 41.497 11.648 -8.694 168 HD11 LEU 21 HD11 LEU 21 43.716 11.883 -10.777 169 HD12 LEU 21 HD12 LEU 21 42.928 10.371 -10.269 170 HD13 LEU 21 HD13 LEU 21 43.912 11.294 -9.109 171 HD21 LEU 21 HD21 LEU 21 42.623 14.177 -9.968 172 HD22 LEU 21 HD22 LEU 21 43.278 13.514 -8.450 173 HD23 LEU 21 HD23 LEU 21 41.579 14.034 -8.533 174 H ASP 22 HN ASP 22 37.343 12.726 -9.826 175 HA ASP 22 HA ASP 22 36.588 11.847 -12.521 176 HB2 ASP 22 HB2 ASP 22 35.550 10.953 -10.423 177 HB3 ASP 22 HB1 ASP 22 34.817 12.552 -10.148 178 H HIS 23 HN HIS 23 37.722 14.302 -12.840 179 HA HIS 23 HA HIS 23 37.324 16.435 -13.664 180 HB2 HIS 23 HB2 HIS 23 34.638 15.227 -14.439 181 HB3 HIS 23 HB1 HIS 23 35.403 16.664 -15.159 182 HD1 HIS 23 HD1 HIS 23 37.987 16.134 -16.121 183 HD2 HIS 23 HD2 HIS 23 35.243 12.956 -15.876 184 HE1 HIS 23 HE1 HIS 23 38.858 14.259 -17.621 185 H LEU 24 HN LEU 24 36.325 15.624 -10.880 186 HA LEU 24 HA LEU 24 35.146 18.201 -10.260 187 HB2 LEU 24 HB2 LEU 24 33.097 17.250 -11.096 188 HB3 LEU 24 HB1 LEU 24 33.374 15.728 -10.224 189 HG LEU 24 HG LEU 24 33.009 16.797 -8.079 190 HD11 LEU 24 HD11 LEU 24 33.100 19.367 -9.707 191 HD12 LEU 24 HD12 LEU 24 34.078 18.921 -8.288 192 HD13 LEU 24 HD13 LEU 24 32.353 19.306 -8.093 193 HD21 LEU 24 HD21 LEU 24 30.688 17.590 -8.349 194 HD22 LEU 24 HD22 LEU 24 30.991 16.184 -9.396 195 HD23 LEU 24 HD23 LEU 24 30.958 17.821 -10.093 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 62.052 0.012 10.212 2 H2 GLY 1 HT2 GLY 1 61.710 0.428 8.599 3 H3 GLY 1 HT3 GLY 1 61.243 -1.088 9.209 4 HA2 GLY 1 HA1 GLY 1 59.673 -0.140 10.646 5 HA3 GLY 1 HA2 GLY 1 60.255 1.485 10.236 6 H LYS 2 HN LYS 2 59.564 2.503 8.406 7 HA LYS 2 HA LYS 2 57.992 2.967 6.749 8 HB2 LYS 2 HB2 LYS 2 58.562 0.099 5.899 9 HB3 LYS 2 HB1 LYS 2 57.985 1.433 4.870 10 HG2 LYS 2 HG2 LYS 2 60.136 2.681 5.534 11 HG3 LYS 2 HG1 LYS 2 60.707 1.132 6.198 12 HD2 LYS 2 HD2 LYS 2 59.845 1.642 3.316 13 HD3 LYS 2 HD1 LYS 2 61.515 1.419 3.886 14 HE2 LYS 2 HE2 LYS 2 60.677 -0.864 4.825 15 HE3 LYS 2 HE1 LYS 2 59.268 -0.620 3.763 16 HZ1 LYS 2 HZ1 LYS 2 60.504 -1.389 2.110 17 HZ2 LYS 2 HZ2 LYS 2 61.892 -1.455 3.089 18 HZ3 LYS 2 HZ3 LYS 2 61.510 -0.030 2.247 19 H GLY 3 HN GLY 3 56.531 0.446 5.527 20 HA2 GLY 3 HA1 GLY 3 54.155 -0.028 5.664 21 HA3 GLY 3 HA2 GLY 3 54.698 -0.707 7.298 22 H ARG 4 HN ARG 4 54.278 1.544 5.210 23 HA ARG 4 HA ARG 4 52.165 1.927 5.349 24 HB2 ARG 4 HB2 ARG 4 52.894 3.469 7.793 25 HB3 ARG 4 HB1 ARG 4 51.748 4.322 6.732 26 HG2 ARG 4 HG2 ARG 4 50.004 2.837 7.131 27 HG3 ARG 4 HG1 ARG 4 51.065 1.437 7.333 28 HD2 ARG 4 HD2 ARG 4 49.839 2.329 9.437 29 HD3 ARG 4 HD1 ARG 4 51.584 2.027 9.590 30 HE ARG 4 HE ARG 4 51.326 4.716 8.791 31 HH11 ARG 4 HH11 ARG 4 52.791 4.347 11.200 32 HH12 ARG 4 HH12 ARG 4 51.725 4.868 12.460 33 HH21 ARG 4 HH21 ARG 4 48.875 4.674 10.495 34 HH22 ARG 4 HH22 ARG 4 49.508 5.054 12.061 35 H TRP 5 HN TRP 5 55.119 3.127 5.051 36 HA TRP 5 HA TRP 5 55.138 5.736 4.111 37 HB2 TRP 5 HB2 TRP 5 57.095 4.163 4.138 38 HB3 TRP 5 HB1 TRP 5 56.431 3.389 2.678 39 HD1 TRP 5 HD1 TRP 5 57.293 4.344 0.491 40 HE1 TRP 5 HE1 TRP 5 58.358 6.571 -0.321 41 HE3 TRP 5 HE3 TRP 5 57.036 7.004 4.859 42 HZ2 TRP 5 HZ2 TRP 5 59.001 9.144 0.799 43 HZ3 TRP 5 HZ3 TRP 5 57.882 9.342 4.963 44 HH2 TRP 5 HH2 TRP 5 58.864 10.415 2.940 45 H LEU 6 HN LEU 6 53.424 3.033 2.854 46 HA LEU 6 HA LEU 6 52.795 4.434 0.276 47 HB2 LEU 6 HB2 LEU 6 52.055 1.599 1.082 48 HB3 LEU 6 HB1 LEU 6 52.112 2.306 -0.551 49 HG LEU 6 HG LEU 6 54.495 1.806 1.290 50 HD11 LEU 6 HD11 LEU 6 53.648 0.544 -1.357 51 HD12 LEU 6 HD12 LEU 6 53.552 -0.231 0.243 52 HD13 LEU 6 HD13 LEU 6 55.138 0.171 -0.459 53 HD21 LEU 6 HD21 LEU 6 54.223 3.163 -1.425 54 HD22 LEU 6 HD22 LEU 6 55.760 2.440 -0.888 55 HD23 LEU 6 HD23 LEU 6 55.032 3.770 0.039 56 H GLU 7 HN GLU 7 51.490 3.555 3.435 57 HA GLU 7 HA GLU 7 48.708 3.562 2.622 58 HB2 GLU 7 HB2 GLU 7 49.721 2.656 4.794 59 HB3 GLU 7 HB1 GLU 7 49.800 4.347 5.346 60 HG2 GLU 7 HG2 GLU 7 47.716 3.466 6.168 61 HG3 GLU 7 HG1 GLU 7 47.306 4.514 4.790 62 H ARG 8 HN ARG 8 51.079 6.041 3.286 63 HA ARG 8 HA ARG 8 50.953 8.337 3.046 64 HB2 ARG 8 HB2 ARG 8 49.398 7.526 1.058 65 HB3 ARG 8 HB1 ARG 8 48.085 8.166 2.070 66 HG2 ARG 8 HG2 ARG 8 49.312 10.354 2.197 67 HG3 ARG 8 HG1 ARG 8 50.532 9.698 1.083 68 HD2 ARG 8 HD2 ARG 8 47.555 10.015 0.501 69 HD3 ARG 8 HD1 ARG 8 48.868 11.012 -0.169 70 HE ARG 8 HE ARG 8 49.455 8.303 -0.791 71 HH11 ARG 8 HH11 ARG 8 49.403 8.056 -3.092 72 HH12 ARG 8 HH12 ARG 8 47.997 8.617 -3.934 73 HH21 ARG 8 HH21 ARG 8 46.631 10.183 -1.159 74 HH22 ARG 8 HH22 ARG 8 46.429 9.820 -2.840 75 H ILE 9 HN ILE 9 49.840 10.296 3.949 76 HA ILE 9 HA ILE 9 49.218 9.912 6.670 77 HB ILE 9 HB ILE 9 48.422 12.224 6.703 78 HG12 ILE 9 HG12 ILE 9 48.302 11.889 3.669 79 HG13 ILE 9 HG11 ILE 9 46.946 12.239 4.762 80 HG21 ILE 9 HG21 ILE 9 50.407 13.284 5.873 81 HG22 ILE 9 HG22 ILE 9 50.626 12.049 4.610 82 HG23 ILE 9 HG23 ILE 9 50.897 11.633 6.319 83 HD11 ILE 9 HD1 ILE 9 49.243 14.056 3.963 84 HD12 ILE 9 HD2 ILE 9 48.270 14.373 5.422 85 HD13 ILE 9 HD3 ILE 9 47.494 14.348 3.820 86 H GLY 10 HN GLY 10 47.325 9.081 4.002 87 HA2 GLY 10 HA1 GLY 10 45.111 8.441 3.795 88 HA3 GLY 10 HA2 GLY 10 45.190 8.068 5.528 89 H LYS 11 HN LYS 11 45.115 11.004 3.456 90 HA LYS 11 HA LYS 11 42.579 11.861 4.583 91 HB2 LYS 11 HB2 LYS 11 44.238 12.319 6.467 92 HB3 LYS 11 HB1 LYS 11 45.000 13.514 5.390 93 HG2 LYS 11 HG2 LYS 11 42.644 14.541 5.125 94 HG3 LYS 11 HG1 LYS 11 42.168 13.524 6.506 95 HD2 LYS 11 HD2 LYS 11 44.380 15.627 6.474 96 HD3 LYS 11 HD1 LYS 11 42.817 15.747 7.315 97 HE2 LYS 11 HE2 LYS 11 43.527 13.567 8.545 98 HE3 LYS 11 HE1 LYS 11 45.163 13.921 7.937 99 HZ1 LYS 11 HZ1 LYS 11 45.191 15.972 9.069 100 HZ2 LYS 11 HZ2 LYS 11 44.599 14.842 10.192 101 HZ3 LYS 11 HZ3 LYS 11 43.532 15.912 9.417 102 H ALA 12 HN ALA 12 42.488 11.731 2.163 103 HA ALA 12 HA ALA 12 43.870 13.928 0.727 104 HB1 ALA 12 HB1 ALA 12 43.467 11.570 -0.183 105 HB2 ALA 12 HB2 ALA 12 43.018 12.922 -1.246 106 HB3 ALA 12 HB3 ALA 12 41.759 12.036 -0.351 107 H GLY 13 HN GLY 13 42.446 15.130 2.633 108 HA2 GLY 13 HA1 GLY 13 40.854 16.787 2.912 109 HA3 GLY 13 HA2 GLY 13 40.634 16.784 1.149 110 H PHE 14 HN PHE 14 40.212 13.965 3.226 111 HA PHE 14 HA PHE 14 38.340 12.720 3.751 112 HB2 PHE 14 HB2 PHE 14 36.562 15.083 3.068 113 HB3 PHE 14 HB1 PHE 14 36.302 13.797 4.267 114 HD1 PHE 14 HD1 PHE 14 37.386 17.164 3.847 115 HD2 PHE 14 HD2 PHE 14 38.212 13.582 6.114 116 HE1 PHE 14 HE1 PHE 14 38.498 18.532 5.605 117 HE2 PHE 14 HE2 PHE 14 39.322 14.953 7.872 118 HZ PHE 14 HZ PHE 14 39.458 17.429 7.622 119 H ILE 15 HN ILE 15 39.068 11.668 1.715 120 HA ILE 15 HA ILE 15 38.731 10.962 -0.484 121 HB ILE 15 HB ILE 15 36.452 9.889 -0.761 122 HG12 ILE 15 HG12 ILE 15 35.999 10.937 2.075 123 HG13 ILE 15 HG11 ILE 15 35.244 11.644 0.630 124 HG21 ILE 15 HG21 ILE 15 38.442 8.813 0.395 125 HG22 ILE 15 HG22 ILE 15 36.863 8.200 0.927 126 HG23 ILE 15 HG23 ILE 15 37.756 9.355 1.943 127 HD11 ILE 15 HD1 ILE 15 33.608 10.137 1.441 128 HD12 ILE 15 HD2 ILE 15 34.814 8.895 1.842 129 HD13 ILE 15 HD3 ILE 15 34.399 9.219 0.141 130 H ILE 16 HN ILE 16 38.943 13.507 -0.887 131 HA ILE 16 HA ILE 16 36.749 14.074 -2.850 132 HB ILE 16 HB ILE 16 36.484 15.427 -0.655 133 HG12 ILE 16 HG12 ILE 16 36.257 17.662 -2.088 134 HG13 ILE 16 HG11 ILE 16 36.679 16.608 -3.456 135 HG21 ILE 16 HG21 ILE 16 37.959 17.246 -0.230 136 HG22 ILE 16 HG22 ILE 16 38.759 17.067 -1.805 137 HG23 ILE 16 HG23 ILE 16 39.020 15.849 -0.533 138 HD11 ILE 16 HD1 ILE 16 34.401 16.003 -1.510 139 HD12 ILE 16 HD2 ILE 16 34.736 15.208 -3.065 140 HD13 ILE 16 HD3 ILE 16 34.185 16.895 -3.031 141 H ILE 17 HN ILE 17 40.053 14.817 -1.671 142 HA ILE 17 HA ILE 17 40.827 15.879 -4.328 143 HB ILE 17 HB ILE 17 42.527 15.146 -1.895 144 HG12 ILE 17 HG12 ILE 17 41.051 16.999 -1.346 145 HG13 ILE 17 HG11 ILE 17 42.686 17.638 -1.578 146 HG21 ILE 17 HG21 ILE 17 44.131 16.833 -3.235 147 HG22 ILE 17 HG22 ILE 17 43.194 16.254 -4.632 148 HG23 ILE 17 HG23 ILE 17 44.091 15.100 -3.625 149 HD11 ILE 17 HD1 ILE 17 41.901 18.075 -4.054 150 HD12 ILE 17 HD2 ILE 17 41.354 19.174 -2.773 151 HD13 ILE 17 HD3 ILE 17 40.263 17.913 -3.385 152 H GLY 18 HN GLY 18 41.393 13.015 -2.288 153 HA2 GLY 18 HA1 GLY 18 42.876 11.647 -4.431 154 HA3 GLY 18 HA2 GLY 18 42.431 10.990 -2.842 155 H GLY 19 HN GLY 19 39.613 11.955 -3.248 156 HA2 GLY 19 HA1 GLY 19 38.647 9.509 -4.542 157 HA3 GLY 19 HA2 GLY 19 37.670 10.774 -3.773 158 H ALA 20 HN ALA 20 38.725 13.006 -5.268 159 HA ALA 20 HA ALA 20 36.942 12.954 -7.484 160 HB1 ALA 20 HB1 ALA 20 39.344 14.682 -6.836 161 HB2 ALA 20 HB2 ALA 20 37.619 15.063 -6.618 162 HB3 ALA 20 HB3 ALA 20 38.310 14.970 -8.256 163 H LEU 21 HN LEU 21 40.504 13.266 -7.817 164 HA LEU 21 HA LEU 21 41.928 12.436 -9.449 165 HB2 LEU 21 HB2 LEU 21 39.951 10.149 -9.765 166 HB3 LEU 21 HB1 LEU 21 41.697 10.137 -10.098 167 HG LEU 21 HG LEU 21 40.441 10.556 -7.347 168 HD11 LEU 21 HD11 LEU 21 40.108 8.261 -8.193 169 HD12 LEU 21 HD12 LEU 21 41.311 8.275 -6.882 170 HD13 LEU 21 HD13 LEU 21 41.841 8.139 -8.576 171 HD21 LEU 21 HD21 LEU 21 42.565 11.644 -7.332 172 HD22 LEU 21 HD22 LEU 21 43.306 10.409 -8.379 173 HD23 LEU 21 HD23 LEU 21 42.911 10.024 -6.687 174 H ASP 22 HN ASP 22 39.528 14.136 -10.135 175 HA ASP 22 HA ASP 22 38.603 13.279 -12.738 176 HB2 ASP 22 HB2 ASP 22 37.325 14.870 -11.389 177 HB3 ASP 22 HB1 ASP 22 38.671 16.033 -11.438 178 H HIS 23 HN HIS 23 39.827 16.505 -12.759 179 HA HIS 23 HA HIS 23 41.427 15.954 -15.114 180 HB2 HIS 23 HB2 HIS 23 41.361 18.436 -13.353 181 HB3 HIS 23 HB1 HIS 23 41.997 18.333 -15.012 182 HD1 HIS 23 HD1 HIS 23 39.658 16.430 -16.094 183 HD2 HIS 23 HD2 HIS 23 39.102 20.006 -13.955 184 HE1 HIS 23 HE1 HIS 23 37.342 17.324 -16.694 185 H LEU 24 HN LEU 24 42.002 15.378 -11.875 186 HA LEU 24 HA LEU 24 44.651 16.280 -11.459 187 HB2 LEU 24 HB2 LEU 24 42.928 14.987 -9.908 188 HB3 LEU 24 HB1 LEU 24 43.777 13.541 -10.493 189 HG LEU 24 HG LEU 24 45.018 15.940 -9.068 190 HD11 LEU 24 HD11 LEU 24 45.525 14.268 -7.317 191 HD12 LEU 24 HD12 LEU 24 44.728 13.006 -8.285 192 HD13 LEU 24 HD13 LEU 24 43.774 14.353 -7.620 193 HD21 LEU 24 HD21 LEU 24 46.666 15.221 -10.641 194 HD22 LEU 24 HD22 LEU 24 46.248 13.503 -10.420 195 HD23 LEU 24 HD23 LEU 24 47.095 14.390 -9.130 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 57.800 5.068 11.101 2 H2 GLY 1 HT2 GLY 1 58.531 6.163 12.175 3 H3 GLY 1 HT3 GLY 1 59.437 4.894 11.501 4 HA2 GLY 1 HA1 GLY 1 58.709 7.451 10.420 5 HA3 GLY 1 HA2 GLY 1 60.123 6.428 10.098 6 H LYS 2 HN LYS 2 58.810 4.033 9.397 7 HA LYS 2 HA LYS 2 58.123 4.692 6.629 8 HB2 LYS 2 HB2 LYS 2 57.911 2.250 6.365 9 HB3 LYS 2 HB1 LYS 2 59.427 2.675 7.197 10 HG2 LYS 2 HG2 LYS 2 58.145 2.320 9.403 11 HG3 LYS 2 HG1 LYS 2 56.864 1.574 8.418 12 HD2 LYS 2 HD2 LYS 2 59.779 0.684 8.574 13 HD3 LYS 2 HD1 LYS 2 58.380 -0.162 9.274 14 HE2 LYS 2 HE2 LYS 2 59.094 0.209 6.346 15 HE3 LYS 2 HE1 LYS 2 58.783 -1.302 7.231 16 HZ1 LYS 2 HZ1 LYS 2 56.867 -0.814 5.945 17 HZ2 LYS 2 HZ2 LYS 2 56.811 0.796 6.484 18 HZ3 LYS 2 HZ3 LYS 2 56.465 -0.474 7.558 19 H GLY 3 HN GLY 3 56.332 5.753 8.711 20 HA2 GLY 3 HA1 GLY 3 53.904 4.439 9.139 21 HA3 GLY 3 HA2 GLY 3 53.956 6.191 8.633 22 H ARG 4 HN ARG 4 54.794 6.640 6.882 23 HA ARG 4 HA ARG 4 52.439 6.754 6.315 24 HB2 ARG 4 HB2 ARG 4 54.554 7.568 4.258 25 HB3 ARG 4 HB1 ARG 4 52.890 8.204 4.340 26 HG2 ARG 4 HG2 ARG 4 53.343 8.961 6.691 27 HG3 ARG 4 HG1 ARG 4 55.031 8.427 6.505 28 HD2 ARG 4 HD2 ARG 4 53.640 10.495 4.745 29 HD3 ARG 4 HD1 ARG 4 54.777 10.867 6.062 30 HE ARG 4 HE ARG 4 56.159 9.096 4.397 31 HH11 ARG 4 HH11 ARG 4 57.909 10.869 4.024 32 HH12 ARG 4 HH12 ARG 4 57.455 11.993 2.786 33 HH21 ARG 4 HH21 ARG 4 54.108 11.087 2.822 34 HH22 ARG 4 HH22 ARG 4 55.303 12.117 2.106 35 H TRP 5 HN TRP 5 54.365 4.364 5.472 36 HA TRP 5 HA TRP 5 53.984 3.409 2.890 37 HB2 TRP 5 HB2 TRP 5 55.198 2.163 4.646 38 HB3 TRP 5 HB1 TRP 5 53.652 1.754 5.426 39 HD1 TRP 5 HD1 TRP 5 55.837 0.904 2.436 40 HE1 TRP 5 HE1 TRP 5 54.901 -1.196 1.218 41 HE3 TRP 5 HE3 TRP 5 51.393 0.436 4.935 42 HZ2 TRP 5 HZ2 TRP 5 52.536 -2.833 1.340 43 HZ3 TRP 5 HZ3 TRP 5 49.813 -1.401 4.368 44 HH2 TRP 5 HH2 TRP 5 50.379 -3.035 2.574 45 H LEU 6 HN LEU 6 51.533 4.005 5.247 46 HA LEU 6 HA LEU 6 49.473 2.583 3.575 47 HB2 LEU 6 HB2 LEU 6 49.775 1.989 6.063 48 HB3 LEU 6 HB1 LEU 6 49.152 3.614 6.414 49 HG LEU 6 HG LEU 6 47.158 2.926 4.811 50 HD11 LEU 6 HD11 LEU 6 46.662 0.444 5.034 51 HD12 LEU 6 HD12 LEU 6 48.334 0.217 5.593 52 HD13 LEU 6 HD13 LEU 6 48.018 0.822 3.952 53 HD21 LEU 6 HD21 LEU 6 47.490 1.675 7.576 54 HD22 LEU 6 HD22 LEU 6 45.943 1.951 6.741 55 HD23 LEU 6 HD23 LEU 6 46.943 3.335 7.245 56 H GLU 7 HN GLU 7 50.627 5.685 4.803 57 HA GLU 7 HA GLU 7 48.104 7.039 3.915 58 HB2 GLU 7 HB2 GLU 7 50.593 8.059 5.342 59 HB3 GLU 7 HB1 GLU 7 49.183 9.056 4.913 60 HG2 GLU 7 HG2 GLU 7 48.983 6.524 6.600 61 HG3 GLU 7 HG1 GLU 7 49.194 8.146 7.302 62 H ARG 8 HN ARG 8 49.858 5.733 1.977 63 HA ARG 8 HA ARG 8 51.578 7.652 0.715 64 HB2 ARG 8 HB2 ARG 8 51.506 5.130 0.334 65 HB3 ARG 8 HB1 ARG 8 50.070 5.411 -0.681 66 HG2 ARG 8 HG2 ARG 8 51.448 7.065 -2.023 67 HG3 ARG 8 HG1 ARG 8 52.873 6.531 -1.100 68 HD2 ARG 8 HD2 ARG 8 51.071 4.720 -2.768 69 HD3 ARG 8 HD1 ARG 8 52.675 5.313 -3.260 70 HE ARG 8 HE ARG 8 52.955 4.023 -0.735 71 HH11 ARG 8 HH11 ARG 8 51.956 3.304 -3.952 72 HH12 ARG 8 HH12 ARG 8 52.625 1.706 -3.947 73 HH21 ARG 8 HH21 ARG 8 53.911 1.971 -0.738 74 HH22 ARG 8 HH22 ARG 8 53.733 0.952 -2.127 75 H ILE 9 HN ILE 9 48.544 6.396 -0.736 76 HA ILE 9 HA ILE 9 48.236 8.783 -2.334 77 HB ILE 9 HB ILE 9 45.924 7.841 -2.827 78 HG12 ILE 9 HG12 ILE 9 45.597 5.431 -2.075 79 HG13 ILE 9 HG11 ILE 9 46.936 5.660 -0.932 80 HG21 ILE 9 HG21 ILE 9 48.320 5.977 -3.105 81 HG22 ILE 9 HG22 ILE 9 47.889 7.306 -4.208 82 HG23 ILE 9 HG23 ILE 9 46.825 5.885 -4.065 83 HD11 ILE 9 HD1 ILE 9 44.662 7.663 -0.868 84 HD12 ILE 9 HD2 ILE 9 45.686 7.067 0.461 85 HD13 ILE 9 HD3 ILE 9 44.383 6.046 -0.181 86 H GLY 10 HN GLY 10 47.843 8.343 0.923 87 HA2 GLY 10 HA1 GLY 10 45.401 9.982 1.229 88 HA3 GLY 10 HA2 GLY 10 46.406 9.299 2.521 89 H LYS 11 HN LYS 11 46.505 11.752 -0.097 90 HA LYS 11 HA LYS 11 48.679 13.266 0.836 91 HB2 LYS 11 HB2 LYS 11 47.349 13.656 -1.277 92 HB3 LYS 11 HB1 LYS 11 46.092 14.420 -0.273 93 HG2 LYS 11 HG2 LYS 11 47.697 16.093 0.528 94 HG3 LYS 11 HG1 LYS 11 49.009 15.301 -0.378 95 HD2 LYS 11 HD2 LYS 11 47.706 15.702 -2.498 96 HD3 LYS 11 HD1 LYS 11 46.528 16.634 -1.543 97 HE2 LYS 11 HE2 LYS 11 48.375 18.144 -0.794 98 HE3 LYS 11 HE1 LYS 11 49.502 17.245 -1.837 99 HZ1 LYS 11 HZ1 LYS 11 47.499 19.201 -2.542 100 HZ2 LYS 11 HZ2 LYS 11 47.459 17.808 -3.512 101 HZ3 LYS 11 HZ3 LYS 11 48.889 18.715 -3.385 102 H ALA 12 HN ALA 12 45.368 13.062 2.023 103 HA ALA 12 HA ALA 12 46.152 14.270 4.560 104 HB1 ALA 12 HB1 ALA 12 45.875 16.339 3.371 105 HB2 ALA 12 HB2 ALA 12 44.437 16.114 4.395 106 HB3 ALA 12 HB3 ALA 12 44.350 15.782 2.647 107 H GLY 13 HN GLY 13 44.384 12.245 2.645 108 HA2 GLY 13 HA1 GLY 13 42.464 10.983 2.965 109 HA3 GLY 13 HA2 GLY 13 42.977 10.972 4.665 110 H PHE 14 HN PHE 14 42.052 13.878 2.883 111 HA PHE 14 HA PHE 14 39.346 13.884 4.114 112 HB2 PHE 14 HB2 PHE 14 41.078 14.872 5.774 113 HB3 PHE 14 HB1 PHE 14 41.218 16.229 4.632 114 HD1 PHE 14 HD1 PHE 14 38.700 14.221 6.578 115 HD2 PHE 14 HD2 PHE 14 39.614 17.991 4.684 116 HE1 PHE 14 HE1 PHE 14 36.618 15.204 7.529 117 HE2 PHE 14 HE2 PHE 14 37.529 18.971 5.633 118 HZ PHE 14 HZ PHE 14 36.000 17.559 7.001 119 H ILE 15 HN ILE 15 41.613 14.681 1.720 120 HA ILE 15 HA ILE 15 39.508 15.929 0.082 121 HB ILE 15 HB ILE 15 40.998 17.876 -0.550 122 HG12 ILE 15 HG12 ILE 15 42.463 17.064 2.005 123 HG13 ILE 15 HG11 ILE 15 43.105 16.867 0.359 124 HG21 ILE 15 HG21 ILE 15 39.050 17.981 1.120 125 HG22 ILE 15 HG22 ILE 15 40.269 19.265 1.273 126 HG23 ILE 15 HG23 ILE 15 40.272 17.896 2.409 127 HD11 ILE 15 HD1 ILE 15 44.053 18.912 1.097 128 HD12 ILE 15 HD2 ILE 15 42.544 19.434 1.880 129 HD13 ILE 15 HD3 ILE 15 42.670 19.428 0.103 130 H ILE 16 HN ILE 16 40.824 13.457 -0.030 131 HA ILE 16 HA ILE 16 42.023 13.713 -2.726 132 HB ILE 16 HB ILE 16 43.931 13.901 -1.075 133 HG12 ILE 16 HG12 ILE 16 45.294 12.036 -2.130 134 HG13 ILE 16 HG11 ILE 16 43.795 11.419 -2.856 135 HG21 ILE 16 HG21 ILE 16 44.538 12.038 0.308 136 HG22 ILE 16 HG22 ILE 16 43.316 10.987 -0.447 137 HG23 ILE 16 HG23 ILE 16 42.809 12.334 0.602 138 HD11 ILE 16 HD1 ILE 16 43.617 13.218 -4.354 139 HD12 ILE 16 HD2 ILE 16 45.383 13.081 -4.222 140 HD13 ILE 16 HD3 ILE 16 44.519 14.331 -3.299 141 H ILE 17 HN ILE 17 40.593 11.931 -0.096 142 HA ILE 17 HA ILE 17 40.487 9.392 -1.597 143 HB ILE 17 HB ILE 17 38.792 8.856 0.387 144 HG12 ILE 17 HG12 ILE 17 39.129 10.227 2.378 145 HG13 ILE 17 HG11 ILE 17 40.300 11.258 1.527 146 HG21 ILE 17 HG21 ILE 17 41.756 9.396 0.874 147 HG22 ILE 17 HG22 ILE 17 41.062 7.908 0.187 148 HG23 ILE 17 HG23 ILE 17 40.716 8.356 1.875 149 HD11 ILE 17 HD1 ILE 17 37.901 12.172 1.758 150 HD12 ILE 17 HD2 ILE 17 37.430 10.936 0.569 151 HD13 ILE 17 HD3 ILE 17 38.605 12.200 0.126 152 H GLY 18 HN GLY 18 39.093 12.260 -2.106 153 HA2 GLY 18 HA1 GLY 18 37.005 11.208 -3.748 154 HA3 GLY 18 HA2 GLY 18 36.302 11.777 -2.220 155 H GLY 19 HN GLY 19 38.783 13.737 -2.273 156 HA2 GLY 19 HA1 GLY 19 37.241 15.942 -3.414 157 HA3 GLY 19 HA2 GLY 19 38.843 16.034 -2.656 158 H ALA 20 HN ALA 20 39.378 13.639 -4.698 159 HA ALA 20 HA ALA 20 39.903 15.418 -7.081 160 HB1 ALA 20 HB1 ALA 20 42.063 14.289 -7.351 161 HB2 ALA 20 HB2 ALA 20 41.764 13.338 -5.876 162 HB3 ALA 20 HB3 ALA 20 41.971 15.104 -5.773 163 H LEU 21 HN LEU 21 37.628 14.030 -7.130 164 HA LEU 21 HA LEU 21 37.750 11.309 -7.921 165 HB2 LEU 21 HB2 LEU 21 35.860 13.573 -8.646 166 HB3 LEU 21 HB1 LEU 21 35.595 11.908 -9.209 167 HG LEU 21 HG LEU 21 36.076 12.423 -6.248 168 HD11 LEU 21 HD11 LEU 21 33.427 12.754 -7.724 169 HD12 LEU 21 HD12 LEU 21 34.308 14.012 -6.824 170 HD13 LEU 21 HD13 LEU 21 33.596 12.631 -5.957 171 HD21 LEU 21 HD21 LEU 21 34.532 10.448 -6.065 172 HD22 LEU 21 HD22 LEU 21 35.995 10.082 -7.005 173 HD23 LEU 21 HD23 LEU 21 34.452 10.376 -7.839 174 H ASP 22 HN ASP 22 39.035 10.493 -9.440 175 HA ASP 22 HA ASP 22 40.140 10.262 -11.469 176 HB2 ASP 22 HB2 ASP 22 37.734 11.781 -12.550 177 HB3 ASP 22 HB1 ASP 22 38.826 10.720 -13.472 178 H HIS 23 HN HIS 23 40.420 12.829 -9.823 179 HA HIS 23 HA HIS 23 41.535 14.856 -10.024 180 HB2 HIS 23 HB2 HIS 23 43.301 13.313 -10.865 181 HB3 HIS 23 HB1 HIS 23 42.695 13.558 -12.522 182 HD1 HIS 23 HD1 HIS 23 43.065 16.225 -9.798 183 HD2 HIS 23 HD2 HIS 23 44.753 15.177 -13.505 184 HE1 HIS 23 HE1 HIS 23 44.618 18.131 -10.495 185 H LEU 24 HN LEU 24 38.943 14.974 -10.941 186 HA LEU 24 HA LEU 24 38.579 15.903 -13.589 187 HB2 LEU 24 HB2 LEU 24 36.797 15.374 -11.839 188 HB3 LEU 24 HB1 LEU 24 37.138 16.968 -11.135 189 HG LEU 24 HG LEU 24 36.741 17.865 -13.597 190 HD11 LEU 24 HD11 LEU 24 34.977 16.480 -14.775 191 HD12 LEU 24 HD12 LEU 24 35.347 15.148 -13.657 192 HD13 LEU 24 HD13 LEU 24 36.592 15.741 -14.780 193 HD21 LEU 24 HD21 LEU 24 35.281 18.383 -11.679 194 HD22 LEU 24 HD22 LEU 24 34.457 16.816 -11.865 195 HD23 LEU 24 HD23 LEU 24 34.304 18.059 -13.131 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 57.103 0.668 12.918 2 H2 GLY 1 HT2 GLY 1 57.303 1.947 14.019 3 H3 GLY 1 HT3 GLY 1 58.436 1.705 12.776 4 HA2 GLY 1 HA1 GLY 1 55.601 2.273 12.262 5 HA3 GLY 1 HA2 GLY 1 56.814 3.553 12.467 6 H LYS 2 HN LYS 2 58.767 1.408 11.266 7 HA LYS 2 HA LYS 2 58.836 2.521 8.645 8 HB2 LYS 2 HB2 LYS 2 60.771 1.426 9.721 9 HB3 LYS 2 HB1 LYS 2 59.936 -0.144 9.630 10 HG2 LYS 2 HG2 LYS 2 60.020 -0.175 7.242 11 HG3 LYS 2 HG1 LYS 2 60.440 1.551 7.152 12 HD2 LYS 2 HD2 LYS 2 62.410 0.065 6.736 13 HD3 LYS 2 HD1 LYS 2 62.632 1.112 8.157 14 HE2 LYS 2 HE2 LYS 2 63.274 -1.384 8.413 15 HE3 LYS 2 HE1 LYS 2 62.243 -0.676 9.677 16 HZ1 LYS 2 HZ1 LYS 2 61.013 -1.962 7.323 17 HZ2 LYS 2 HZ2 LYS 2 60.388 -1.762 8.891 18 HZ3 LYS 2 HZ3 LYS 2 61.592 -2.923 8.595 19 H GLY 3 HN GLY 3 58.533 1.421 6.579 20 HA2 GLY 3 HA1 GLY 3 57.415 -0.530 5.396 21 HA3 GLY 3 HA2 GLY 3 56.097 -0.453 6.659 22 H ARG 4 HN ARG 4 55.609 1.358 7.369 23 HA ARG 4 HA ARG 4 53.780 0.936 5.826 24 HB2 ARG 4 HB2 ARG 4 53.831 3.345 7.705 25 HB3 ARG 4 HB1 ARG 4 52.345 2.711 6.951 26 HG2 ARG 4 HG2 ARG 4 52.828 0.469 7.947 27 HG3 ARG 4 HG1 ARG 4 54.256 1.158 8.756 28 HD2 ARG 4 HD2 ARG 4 51.374 2.080 9.142 29 HD3 ARG 4 HD1 ARG 4 52.312 1.098 10.291 30 HE ARG 4 HE ARG 4 53.880 3.362 9.888 31 HH11 ARG 4 HH11 ARG 4 51.302 2.310 11.755 32 HH12 ARG 4 HH12 ARG 4 50.854 3.877 12.341 33 HH21 ARG 4 HH21 ARG 4 53.021 5.576 10.233 34 HH22 ARG 4 HH22 ARG 4 51.827 5.725 11.480 35 H TRP 5 HN TRP 5 56.181 2.926 5.232 36 HA TRP 5 HA TRP 5 55.440 5.310 3.991 37 HB2 TRP 5 HB2 TRP 5 57.355 3.198 2.941 38 HB3 TRP 5 HB1 TRP 5 57.283 4.873 2.341 39 HD1 TRP 5 HD1 TRP 5 58.449 2.775 5.277 40 HE1 TRP 5 HE1 TRP 5 59.818 4.238 6.934 41 HE3 TRP 5 HE3 TRP 5 57.515 7.383 3.250 42 HZ2 TRP 5 HZ2 TRP 5 60.409 7.032 7.302 43 HZ3 TRP 5 HZ3 TRP 5 58.493 9.433 4.271 44 HH2 TRP 5 HH2 TRP 5 59.936 9.262 6.293 45 H LEU 6 HN LEU 6 54.642 2.066 3.033 46 HA LEU 6 HA LEU 6 53.610 2.937 0.367 47 HB2 LEU 6 HB2 LEU 6 54.092 0.259 1.717 48 HB3 LEU 6 HB1 LEU 6 53.080 0.382 0.260 49 HG LEU 6 HG LEU 6 54.971 1.494 -0.935 50 HD11 LEU 6 HD11 LEU 6 57.272 1.205 0.228 51 HD12 LEU 6 HD12 LEU 6 56.348 1.024 1.740 52 HD13 LEU 6 HD13 LEU 6 56.235 2.531 0.799 53 HD21 LEU 6 HD21 LEU 6 54.602 -1.003 -0.969 54 HD22 LEU 6 HD22 LEU 6 55.777 -1.149 0.361 55 HD23 LEU 6 HD23 LEU 6 56.299 -0.532 -1.224 56 H GLU 7 HN GLU 7 52.549 1.999 3.629 57 HA GLU 7 HA GLU 7 49.907 1.209 3.150 58 HB2 GLU 7 HB2 GLU 7 51.083 1.440 5.390 59 HB3 GLU 7 HB1 GLU 7 50.708 3.180 5.320 60 HG2 GLU 7 HG2 GLU 7 48.299 2.670 5.145 61 HG3 GLU 7 HG1 GLU 7 48.656 0.926 5.170 62 H ARG 8 HN ARG 8 51.346 4.393 2.796 63 HA ARG 8 HA ARG 8 50.489 6.368 1.955 64 HB2 ARG 8 HB2 ARG 8 49.736 4.725 0.133 65 HB3 ARG 8 HB1 ARG 8 48.141 4.742 0.916 66 HG2 ARG 8 HG2 ARG 8 47.841 6.464 -0.640 67 HG3 ARG 8 HG1 ARG 8 48.438 7.405 0.744 68 HD2 ARG 8 HD2 ARG 8 49.736 8.168 -1.093 69 HD3 ARG 8 HD1 ARG 8 50.808 7.014 -0.268 70 HE ARG 8 HE ARG 8 49.463 5.468 -2.151 71 HH11 ARG 8 HH11 ARG 8 49.177 7.498 -4.094 72 HH12 ARG 8 HH12 ARG 8 50.731 7.640 -4.845 73 HH21 ARG 8 HH21 ARG 8 52.412 6.016 -2.282 74 HH22 ARG 8 HH22 ARG 8 52.563 6.801 -3.820 75 H ILE 9 HN ILE 9 49.529 8.007 2.960 76 HA ILE 9 HA ILE 9 47.973 7.652 5.287 77 HB ILE 9 HB ILE 9 49.151 9.772 4.654 78 HG12 ILE 9 HG12 ILE 9 46.157 10.127 5.153 79 HG13 ILE 9 HG11 ILE 9 47.342 9.682 6.402 80 HG21 ILE 9 HG21 ILE 9 46.746 10.312 2.865 81 HG22 ILE 9 HG22 ILE 9 48.282 9.669 2.235 82 HG23 ILE 9 HG23 ILE 9 48.240 11.266 3.017 83 HD11 ILE 9 HD1 ILE 9 47.106 12.043 6.602 84 HD12 ILE 9 HD2 ILE 9 47.136 12.281 4.841 85 HD13 ILE 9 HD3 ILE 9 48.624 11.822 5.702 86 H GLY 10 HN GLY 10 46.986 8.070 1.898 87 HA2 GLY 10 HA1 GLY 10 44.918 7.837 0.889 88 HA3 GLY 10 HA2 GLY 10 44.561 6.666 2.173 89 H LYS 11 HN LYS 11 44.947 10.232 1.897 90 HA LYS 11 HA LYS 11 42.179 10.707 2.606 91 HB2 LYS 11 HB2 LYS 11 43.178 9.950 4.825 92 HB3 LYS 11 HB1 LYS 11 44.196 11.410 4.770 93 HG2 LYS 11 HG2 LYS 11 42.186 12.833 4.650 94 HG3 LYS 11 HG1 LYS 11 41.147 11.386 4.646 95 HD2 LYS 11 HD2 LYS 11 42.219 10.744 6.870 96 HD3 LYS 11 HD1 LYS 11 42.968 12.359 6.885 97 HE2 LYS 11 HE2 LYS 11 40.743 13.414 6.762 98 HE3 LYS 11 HE1 LYS 11 39.973 11.809 6.695 99 HZ1 LYS 11 HZ1 LYS 11 41.039 13.247 8.955 100 HZ2 LYS 11 HZ2 LYS 11 41.575 11.636 8.875 101 HZ3 LYS 11 HZ3 LYS 11 39.911 11.981 8.907 102 H ALA 12 HN ALA 12 42.975 11.763 0.511 103 HA ALA 12 HA ALA 12 44.641 14.140 0.789 104 HB1 ALA 12 HB1 ALA 12 42.720 13.417 -1.448 105 HB2 ALA 12 HB2 ALA 12 44.381 12.790 -1.314 106 HB3 ALA 12 HB3 ALA 12 44.100 14.535 -1.528 107 H GLY 13 HN GLY 13 43.258 14.832 2.736 108 HA2 GLY 13 HA1 GLY 13 41.758 16.352 3.617 109 HA3 GLY 13 HA2 GLY 13 41.848 17.175 2.047 110 H PHE 14 HN PHE 14 40.622 13.907 2.800 111 HA PHE 14 HA PHE 14 38.496 13.018 2.586 112 HB2 PHE 14 HB2 PHE 14 38.032 15.442 3.767 113 HB3 PHE 14 HB1 PHE 14 37.117 15.678 2.265 114 HD1 PHE 14 HD1 PHE 14 36.216 12.818 1.773 115 HD2 PHE 14 HD2 PHE 14 36.301 15.181 5.386 116 HE1 PHE 14 HE1 PHE 14 34.356 11.456 2.708 117 HE2 PHE 14 HE2 PHE 14 34.440 13.816 6.320 118 HZ PHE 14 HZ PHE 14 33.529 11.899 5.016 119 H ILE 15 HN ILE 15 40.141 13.272 0.367 120 HA ILE 15 HA ILE 15 40.099 13.230 -1.939 121 HB ILE 15 HB ILE 15 37.081 12.881 -1.743 122 HG12 ILE 15 HG12 ILE 15 39.286 10.811 -1.313 123 HG13 ILE 15 HG11 ILE 15 38.144 11.396 -0.080 124 HG21 ILE 15 HG21 ILE 15 39.085 11.564 -3.620 125 HG22 ILE 15 HG22 ILE 15 38.312 13.124 -3.991 126 HG23 ILE 15 HG23 ILE 15 37.317 11.663 -3.792 127 HD11 ILE 15 HD1 ILE 15 36.278 10.591 -1.711 128 HD12 ILE 15 HD2 ILE 15 37.194 9.351 -0.822 129 HD13 ILE 15 HD3 ILE 15 37.578 9.687 -2.526 130 H ILE 16 HN ILE 16 40.497 15.619 -1.341 131 HA ILE 16 HA ILE 16 38.594 17.266 -2.995 132 HB ILE 16 HB ILE 16 40.012 17.989 -0.399 133 HG12 ILE 16 HG12 ILE 16 37.935 16.733 -0.051 134 HG13 ILE 16 HG11 ILE 16 37.719 18.421 0.452 135 HG21 ILE 16 HG21 ILE 16 38.519 20.206 -0.895 136 HG22 ILE 16 HG22 ILE 16 38.832 19.715 -2.576 137 HG23 ILE 16 HG23 ILE 16 40.188 20.041 -1.478 138 HD11 ILE 16 HD1 ILE 16 36.533 16.965 -1.922 139 HD12 ILE 16 HD2 ILE 16 36.796 18.717 -2.043 140 HD13 ILE 16 HD3 ILE 16 35.750 18.062 -0.768 141 H ILE 17 HN ILE 17 41.861 16.822 -1.625 142 HA ILE 17 HA ILE 17 43.031 18.640 -3.670 143 HB ILE 17 HB ILE 17 44.394 16.891 -1.570 144 HG12 ILE 17 HG12 ILE 17 42.960 18.515 -0.456 145 HG13 ILE 17 HG11 ILE 17 44.648 19.039 -0.289 146 HG21 ILE 17 HG21 ILE 17 46.114 17.375 -3.066 147 HG22 ILE 17 HG22 ILE 17 46.208 18.818 -2.035 148 HG23 ILE 17 HG23 ILE 17 45.383 18.899 -3.609 149 HD11 ILE 17 HD1 ILE 17 44.173 20.478 -2.430 150 HD12 ILE 17 HD2 ILE 17 43.508 21.027 -0.880 151 HD13 ILE 17 HD3 ILE 17 42.462 20.196 -2.049 152 H GLY 18 HN GLY 18 42.799 15.206 -2.820 153 HA2 GLY 18 HA1 GLY 18 44.591 14.347 -4.948 154 HA3 GLY 18 HA2 GLY 18 43.522 13.319 -3.971 155 H GLY 19 HN GLY 19 41.039 14.321 -4.439 156 HA2 GLY 19 HA1 GLY 19 40.534 13.311 -7.122 157 HA3 GLY 19 HA2 GLY 19 39.334 13.931 -5.972 158 H ALA 20 HN ALA 20 40.547 16.508 -5.544 159 HA ALA 20 HA ALA 20 40.408 18.631 -6.464 160 HB1 ALA 20 HB1 ALA 20 42.362 17.668 -7.763 161 HB2 ALA 20 HB2 ALA 20 41.500 19.010 -8.555 162 HB3 ALA 20 HB3 ALA 20 41.216 17.335 -9.082 163 H LEU 21 HN LEU 21 38.296 16.265 -7.115 164 HA LEU 21 HA LEU 21 36.263 16.134 -8.235 165 HB2 LEU 21 HB2 LEU 21 35.977 18.014 -6.512 166 HB3 LEU 21 HB1 LEU 21 36.198 19.147 -7.861 167 HG LEU 21 HG LEU 21 34.297 17.706 -9.035 168 HD11 LEU 21 HD11 LEU 21 32.627 16.888 -7.325 169 HD12 LEU 21 HD12 LEU 21 33.872 17.088 -6.072 170 HD13 LEU 21 HD13 LEU 21 34.110 15.914 -7.387 171 HD21 LEU 21 HD21 LEU 21 34.065 20.080 -8.375 172 HD22 LEU 21 HD22 LEU 21 33.697 19.585 -6.705 173 HD23 LEU 21 HD23 LEU 21 32.573 19.176 -8.023 174 H ASP 22 HN ASP 22 37.869 15.771 -10.167 175 HA ASP 22 HA ASP 22 36.731 17.297 -12.411 176 HB2 ASP 22 HB2 ASP 22 39.686 17.483 -11.714 177 HB3 ASP 22 HB1 ASP 22 39.016 17.898 -13.311 178 H HIS 23 HN HIS 23 36.388 14.655 -11.767 179 HA HIS 23 HA HIS 23 36.661 12.505 -12.605 180 HB2 HIS 23 HB2 HIS 23 35.915 13.730 -14.657 181 HB3 HIS 23 HB1 HIS 23 37.624 13.978 -15.089 182 HD1 HIS 23 HD1 HIS 23 37.028 10.751 -13.402 183 HD2 HIS 23 HD2 HIS 23 36.846 12.182 -17.352 184 HE1 HIS 23 HE1 HIS 23 37.084 8.720 -14.952 185 H LEU 24 HN LEU 24 39.036 14.023 -11.394 186 HA LEU 24 HA LEU 24 40.947 11.879 -11.754 187 HB2 LEU 24 HB2 LEU 24 41.259 13.242 -13.884 188 HB3 LEU 24 HB1 LEU 24 41.784 14.587 -12.851 189 HG LEU 24 HG LEU 24 43.484 12.836 -11.838 190 HD11 LEU 24 HD11 LEU 24 42.724 11.530 -14.491 191 HD12 LEU 24 HD12 LEU 24 42.667 10.797 -12.871 192 HD13 LEU 24 HD13 LEU 24 44.231 11.184 -13.618 193 HD21 LEU 24 HD21 LEU 24 45.130 13.398 -13.603 194 HD22 LEU 24 HD22 LEU 24 44.126 14.809 -13.193 195 HD23 LEU 24 HD23 LEU 24 43.806 13.891 -14.684 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 54.097 4.760 -4.652 2 H2 GLY 1 HT2 GLY 1 55.276 5.267 -5.765 3 H3 GLY 1 HT3 GLY 1 53.852 6.172 -5.558 4 HA2 GLY 1 HA1 GLY 1 56.285 6.385 -4.227 5 HA3 GLY 1 HA2 GLY 1 54.827 7.384 -4.066 6 H LYS 2 HN LYS 2 56.246 4.256 -3.062 7 HA LYS 2 HA LYS 2 54.422 3.758 -0.922 8 HB2 LYS 2 HB2 LYS 2 57.371 3.008 -1.047 9 HB3 LYS 2 HB1 LYS 2 56.100 2.197 -0.101 10 HG2 LYS 2 HG2 LYS 2 54.893 1.742 -2.293 11 HG3 LYS 2 HG1 LYS 2 56.346 2.334 -3.135 12 HD2 LYS 2 HD2 LYS 2 56.283 0.025 -1.139 13 HD3 LYS 2 HD1 LYS 2 56.353 -0.147 -2.908 14 HE2 LYS 2 HE2 LYS 2 58.484 1.382 -2.738 15 HE3 LYS 2 HE1 LYS 2 58.472 0.919 -1.018 16 HZ1 LYS 2 HZ1 LYS 2 58.058 -1.329 -2.731 17 HZ2 LYS 2 HZ2 LYS 2 59.227 -1.091 -1.522 18 HZ3 LYS 2 HZ3 LYS 2 59.510 -0.535 -3.101 19 H GLY 3 HN GLY 3 56.175 3.379 1.309 20 HA2 GLY 3 HA1 GLY 3 56.503 4.668 3.341 21 HA3 GLY 3 HA2 GLY 3 57.585 5.646 2.220 22 H ARG 4 HN ARG 4 54.833 4.461 3.178 23 HA ARG 4 HA ARG 4 54.469 5.960 4.795 24 HB2 ARG 4 HB2 ARG 4 53.502 7.575 2.522 25 HB3 ARG 4 HB1 ARG 4 52.289 7.503 3.810 26 HG2 ARG 4 HG2 ARG 4 53.517 8.791 5.291 27 HG3 ARG 4 HG1 ARG 4 55.077 8.143 4.764 28 HD2 ARG 4 HD2 ARG 4 54.875 9.507 2.656 29 HD3 ARG 4 HD1 ARG 4 53.378 10.213 3.307 30 HE ARG 4 HE ARG 4 56.070 10.953 4.082 31 HH11 ARG 4 HH11 ARG 4 53.626 12.710 4.260 32 HH12 ARG 4 HH12 ARG 4 53.423 12.859 5.975 33 HH21 ARG 4 HH21 ARG 4 55.481 10.169 6.720 34 HH22 ARG 4 HH22 ARG 4 54.471 11.420 7.366 35 H TRP 5 HN TRP 5 53.314 3.979 2.590 36 HA TRP 5 HA TRP 5 50.584 3.553 2.827 37 HB2 TRP 5 HB2 TRP 5 52.872 1.553 2.840 38 HB3 TRP 5 HB1 TRP 5 51.176 1.017 2.845 39 HD1 TRP 5 HD1 TRP 5 53.851 1.787 0.513 40 HE1 TRP 5 HE1 TRP 5 52.969 2.266 -1.886 41 HE3 TRP 5 HE3 TRP 5 48.890 2.439 1.594 42 HZ2 TRP 5 HZ2 TRP 5 50.439 2.851 -3.133 43 HZ3 TRP 5 HZ3 TRP 5 47.259 2.957 -0.215 44 HH2 TRP 5 HH2 TRP 5 48.028 3.162 -2.575 45 H LEU 6 HN LEU 6 52.945 3.459 5.335 46 HA LEU 6 HA LEU 6 51.002 2.230 7.269 47 HB2 LEU 6 HB2 LEU 6 53.158 1.090 7.191 48 HB3 LEU 6 HB1 LEU 6 54.022 2.630 7.384 49 HG LEU 6 HG LEU 6 53.094 2.912 9.646 50 HD11 LEU 6 HD11 LEU 6 50.920 1.958 9.590 51 HD12 LEU 6 HD12 LEU 6 51.837 0.814 10.592 52 HD13 LEU 6 HD13 LEU 6 51.503 0.432 8.885 53 HD21 LEU 6 HD21 LEU 6 55.163 1.554 9.305 54 HD22 LEU 6 HD22 LEU 6 54.162 0.084 9.231 55 HD23 LEU 6 HD23 LEU 6 54.238 1.034 10.734 56 H GLU 7 HN GLU 7 52.645 5.183 6.271 57 HA GLU 7 HA GLU 7 51.670 6.542 8.797 58 HB2 GLU 7 HB2 GLU 7 54.001 7.156 6.938 59 HB3 GLU 7 HB1 GLU 7 53.394 8.296 8.163 60 HG2 GLU 7 HG2 GLU 7 53.768 6.557 9.921 61 HG3 GLU 7 HG1 GLU 7 54.454 5.482 8.679 62 H ARG 8 HN ARG 8 50.152 5.844 6.361 63 HA ARG 8 HA ARG 8 49.854 7.931 4.522 64 HB2 ARG 8 HB2 ARG 8 47.526 7.169 4.267 65 HB3 ARG 8 HB1 ARG 8 48.633 5.782 4.417 66 HG2 ARG 8 HG2 ARG 8 48.110 5.770 6.911 67 HG3 ARG 8 HG1 ARG 8 46.830 6.958 6.572 68 HD2 ARG 8 HD2 ARG 8 45.752 5.386 5.012 69 HD3 ARG 8 HD1 ARG 8 47.053 4.202 5.284 70 HE ARG 8 HE ARG 8 45.926 3.581 7.254 71 HH11 ARG 8 HH11 ARG 8 46.236 5.982 8.843 72 HH12 ARG 8 HH12 ARG 8 44.619 6.573 9.030 73 HH21 ARG 8 HH21 ARG 8 43.346 4.689 6.411 74 HH22 ARG 8 HH22 ARG 8 42.982 5.841 7.652 75 H ILE 9 HN ILE 9 48.744 9.840 4.396 76 HA ILE 9 HA ILE 9 48.502 11.363 6.823 77 HB ILE 9 HB ILE 9 47.345 13.057 5.339 78 HG12 ILE 9 HG12 ILE 9 47.769 10.861 3.255 79 HG13 ILE 9 HG11 ILE 9 46.201 11.458 3.842 80 HG21 ILE 9 HG21 ILE 9 49.330 13.603 4.101 81 HG22 ILE 9 HG22 ILE 9 49.836 11.899 4.020 82 HG23 ILE 9 HG23 ILE 9 49.891 12.773 5.568 83 HD11 ILE 9 HD1 ILE 9 46.525 12.631 1.808 84 HD12 ILE 9 HD2 ILE 9 48.255 12.892 2.127 85 HD13 ILE 9 HD3 ILE 9 47.031 13.803 3.047 86 H GLY 10 HN GLY 10 46.338 9.253 5.091 87 HA2 GLY 10 HA1 GLY 10 44.152 8.630 5.500 88 HA3 GLY 10 HA2 GLY 10 44.464 9.084 7.187 89 H LYS 11 HN LYS 11 45.008 11.724 5.176 90 HA LYS 11 HA LYS 11 42.162 12.633 5.202 91 HB2 LYS 11 HB2 LYS 11 44.448 14.109 6.574 92 HB3 LYS 11 HB1 LYS 11 42.823 14.777 6.282 93 HG2 LYS 11 HG2 LYS 11 41.889 12.776 7.557 94 HG3 LYS 11 HG1 LYS 11 43.563 12.386 8.018 95 HD2 LYS 11 HD2 LYS 11 43.779 14.713 8.965 96 HD3 LYS 11 HD1 LYS 11 42.047 14.957 8.637 97 HE2 LYS 11 HE2 LYS 11 42.411 14.245 10.982 98 HE3 LYS 11 HE1 LYS 11 41.499 13.014 10.077 99 HZ1 LYS 11 HZ1 LYS 11 43.400 12.180 11.474 100 HZ2 LYS 11 HZ2 LYS 11 44.453 12.931 10.374 101 HZ3 LYS 11 HZ3 LYS 11 43.417 11.690 9.851 102 H ALA 12 HN ALA 12 42.646 12.210 2.896 103 HA ALA 12 HA ALA 12 44.570 13.959 1.556 104 HB1 ALA 12 HB1 ALA 12 42.265 12.432 0.310 105 HB2 ALA 12 HB2 ALA 12 43.805 11.667 0.773 106 HB3 ALA 12 HB3 ALA 12 43.784 12.952 -0.458 107 H GLY 13 HN GLY 13 43.449 15.824 2.877 108 HA2 GLY 13 HA1 GLY 13 42.178 17.754 2.794 109 HA3 GLY 13 HA2 GLY 13 42.320 17.603 1.032 110 H PHE 14 HN PHE 14 40.487 16.253 3.806 111 HA PHE 14 HA PHE 14 38.256 15.641 3.965 112 HB2 PHE 14 HB2 PHE 14 38.032 18.103 3.484 113 HB3 PHE 14 HB1 PHE 14 37.830 17.697 1.762 114 HD1 PHE 14 HD1 PHE 14 36.445 16.908 5.174 115 HD2 PHE 14 HD2 PHE 14 35.676 17.131 0.932 116 HE1 PHE 14 HE1 PHE 14 34.035 16.435 5.586 117 HE2 PHE 14 HE2 PHE 14 33.266 16.656 1.345 118 HZ PHE 14 HZ PHE 14 32.462 16.229 3.666 119 H ILE 15 HN ILE 15 40.037 14.284 1.986 120 HA ILE 15 HA ILE 15 39.831 12.654 0.380 121 HB ILE 15 HB ILE 15 36.816 12.726 0.814 122 HG12 ILE 15 HG12 ILE 15 38.975 11.356 2.485 123 HG13 ILE 15 HG11 ILE 15 37.899 12.665 3.023 124 HG21 ILE 15 HG21 ILE 15 37.914 11.320 -1.035 125 HG22 ILE 15 HG22 ILE 15 36.891 10.435 0.117 126 HG23 ILE 15 HG23 ILE 15 38.664 10.369 0.268 127 HD11 ILE 15 HD1 ILE 15 36.864 10.700 3.854 128 HD12 ILE 15 HD2 ILE 15 37.197 9.787 2.366 129 HD13 ILE 15 HD3 ILE 15 35.950 11.059 2.370 130 H ILE 16 HN ILE 16 40.396 14.723 -0.788 131 HA ILE 16 HA ILE 16 38.494 15.027 -3.097 132 HB ILE 16 HB ILE 16 40.172 17.174 -1.740 133 HG12 ILE 16 HG12 ILE 16 37.929 16.417 -0.640 134 HG13 ILE 16 HG11 ILE 16 38.188 18.149 -0.904 135 HG21 ILE 16 HG21 ILE 16 40.168 17.605 -4.111 136 HG22 ILE 16 HG22 ILE 16 38.960 18.698 -3.401 137 HG23 ILE 16 HG23 ILE 16 38.437 17.220 -4.245 138 HD11 ILE 16 HD1 ILE 16 36.735 18.172 -2.823 139 HD12 ILE 16 HD2 ILE 16 35.882 17.266 -1.555 140 HD13 ILE 16 HD3 ILE 16 36.669 16.398 -2.887 141 H ILE 17 HN ILE 17 41.806 15.529 -1.823 142 HA ILE 17 HA ILE 17 43.022 15.551 -4.461 143 HB ILE 17 HB ILE 17 44.140 15.175 -1.642 144 HG12 ILE 17 HG12 ILE 17 45.127 17.389 -2.067 145 HG13 ILE 17 HG11 ILE 17 44.483 17.385 -3.724 146 HG21 ILE 17 HG21 ILE 17 46.412 15.498 -2.826 147 HG22 ILE 17 HG22 ILE 17 45.565 15.076 -4.334 148 HG23 ILE 17 HG23 ILE 17 45.652 13.900 -3.002 149 HD11 ILE 17 HD1 ILE 17 43.152 18.679 -1.885 150 HD12 ILE 17 HD2 ILE 17 42.628 17.069 -1.338 151 HD13 ILE 17 HD3 ILE 17 42.246 17.619 -2.988 152 H GLY 18 HN GLY 18 42.610 13.152 -1.849 153 HA2 GLY 18 HA1 GLY 18 43.828 11.007 -3.424 154 HA3 GLY 18 HA2 GLY 18 43.006 10.854 -1.856 155 H GLY 19 HN GLY 19 40.542 12.016 -2.444 156 HA2 GLY 19 HA1 GLY 19 39.155 9.810 -3.586 157 HA3 GLY 19 HA2 GLY 19 38.482 11.430 -3.319 158 H ALA 20 HN ALA 20 40.086 12.971 -4.981 159 HA ALA 20 HA ALA 20 38.780 12.594 -7.494 160 HB1 ALA 20 HB1 ALA 20 41.283 14.156 -6.769 161 HB2 ALA 20 HB2 ALA 20 39.611 14.767 -6.808 162 HB3 ALA 20 HB3 ALA 20 40.422 14.288 -8.319 163 H LEU 21 HN LEU 21 41.968 11.602 -6.280 164 HA LEU 21 HA LEU 21 43.564 10.199 -7.198 165 HB2 LEU 21 HB2 LEU 21 41.451 8.715 -7.145 166 HB3 LEU 21 HB1 LEU 21 41.324 9.034 -8.888 167 HG LEU 21 HG LEU 21 43.875 8.273 -8.936 168 HD11 LEU 21 HD11 LEU 21 44.284 6.453 -7.237 169 HD12 LEU 21 HD12 LEU 21 42.842 7.003 -6.356 170 HD13 LEU 21 HD13 LEU 21 44.246 8.081 -6.527 171 HD21 LEU 21 HD21 LEU 21 43.141 5.908 -9.247 172 HD22 LEU 21 HD22 LEU 21 42.051 7.061 -10.057 173 HD23 LEU 21 HD23 LEU 21 41.571 6.316 -8.513 174 H ASP 22 HN ASP 22 43.881 12.541 -8.278 175 HA ASP 22 HA ASP 22 44.674 13.666 -10.140 176 HB2 ASP 22 HB2 ASP 22 46.108 11.578 -10.236 177 HB3 ASP 22 HB1 ASP 22 44.949 10.920 -11.417 178 H HIS 23 HN HIS 23 41.926 13.593 -9.936 179 HA HIS 23 HA HIS 23 39.977 13.807 -11.183 180 HB2 HIS 23 HB2 HIS 23 41.889 14.498 -13.445 181 HB3 HIS 23 HB1 HIS 23 40.199 15.025 -13.258 182 HD1 HIS 23 HD1 HIS 23 39.710 16.488 -10.979 183 HD2 HIS 23 HD2 HIS 23 43.682 16.287 -12.342 184 HE1 HIS 23 HE1 HIS 23 41.004 18.374 -9.839 185 H LEU 24 HN LEU 24 40.525 11.195 -10.949 186 HA LEU 24 HA LEU 24 39.282 10.097 -13.308 187 HB2 LEU 24 HB2 LEU 24 41.463 10.269 -14.334 188 HB3 LEU 24 HB1 LEU 24 42.252 9.570 -12.906 189 HG LEU 24 HG LEU 24 41.248 7.400 -13.317 190 HD11 LEU 24 HD11 LEU 24 39.611 8.916 -15.387 191 HD12 LEU 24 HD12 LEU 24 39.035 7.882 -14.057 192 HD13 LEU 24 HD13 LEU 24 39.818 7.151 -15.476 193 HD21 LEU 24 HD21 LEU 24 42.248 6.856 -15.479 194 HD22 LEU 24 HD22 LEU 24 43.264 8.070 -14.664 195 HD23 LEU 24 HD23 LEU 24 42.171 8.562 -15.982 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 60.873 2.908 11.842 2 H2 GLY 1 HT2 GLY 1 62.055 1.809 12.372 3 H3 GLY 1 HT3 GLY 1 60.647 1.246 11.605 4 HA2 GLY 1 HA1 GLY 1 63.008 2.532 10.491 5 HA3 GLY 1 HA2 GLY 1 62.122 1.101 9.929 6 H LYS 2 HN LYS 2 61.151 1.412 8.058 7 HA LYS 2 HA LYS 2 59.557 3.903 7.649 8 HB2 LYS 2 HB2 LYS 2 61.670 2.938 5.677 9 HB3 LYS 2 HB1 LYS 2 60.551 4.301 5.442 10 HG2 LYS 2 HG2 LYS 2 61.527 5.338 7.550 11 HG3 LYS 2 HG1 LYS 2 62.770 4.065 7.514 12 HD2 LYS 2 HD2 LYS 2 63.311 4.786 5.140 13 HD3 LYS 2 HD1 LYS 2 62.231 6.179 5.388 14 HE2 LYS 2 HE2 LYS 2 64.630 5.505 7.147 15 HE3 LYS 2 HE1 LYS 2 64.631 6.728 5.853 16 HZ1 LYS 2 HZ1 LYS 2 62.395 7.194 7.459 17 HZ2 LYS 2 HZ2 LYS 2 63.784 8.160 7.294 18 HZ3 LYS 2 HZ3 LYS 2 63.710 6.973 8.507 19 H GLY 3 HN GLY 3 58.522 3.689 5.303 20 HA2 GLY 3 HA1 GLY 3 57.917 1.498 3.837 21 HA3 GLY 3 HA2 GLY 3 57.052 1.056 5.381 22 H ARG 4 HN ARG 4 56.362 2.527 6.528 23 HA ARG 4 HA ARG 4 54.327 1.807 5.427 24 HB2 ARG 4 HB2 ARG 4 54.402 3.854 7.687 25 HB3 ARG 4 HB1 ARG 4 52.893 3.062 7.175 26 HG2 ARG 4 HG2 ARG 4 53.889 0.843 7.588 27 HG3 ARG 4 HG1 ARG 4 55.432 1.605 8.043 28 HD2 ARG 4 HD2 ARG 4 54.378 2.709 9.953 29 HD3 ARG 4 HD1 ARG 4 52.780 2.097 9.464 30 HE ARG 4 HE ARG 4 53.351 0.041 10.472 31 HH11 ARG 4 HH11 ARG 4 56.131 1.991 9.871 32 HH12 ARG 4 HH12 ARG 4 57.238 0.865 10.584 33 HH21 ARG 4 HH21 ARG 4 54.788 -1.466 11.352 34 HH22 ARG 4 HH22 ARG 4 56.479 -1.092 11.421 35 H TRP 5 HN TRP 5 55.898 4.487 4.713 36 HA TRP 5 HA TRP 5 54.267 6.671 4.163 37 HB2 TRP 5 HB2 TRP 5 56.698 6.455 3.573 38 HB3 TRP 5 HB1 TRP 5 56.223 5.490 2.155 39 HD1 TRP 5 HD1 TRP 5 55.156 8.905 3.680 40 HE1 TRP 5 HE1 TRP 5 54.867 10.627 1.753 41 HE3 TRP 5 HE3 TRP 5 56.276 5.872 -0.291 42 HZ2 TRP 5 HZ2 TRP 5 55.101 10.653 -1.115 43 HZ3 TRP 5 HZ3 TRP 5 56.236 6.767 -2.614 44 HH2 TRP 5 HH2 TRP 5 55.651 9.152 -3.029 45 H LEU 6 HN LEU 6 53.892 3.488 2.912 46 HA LEU 6 HA LEU 6 51.813 4.468 0.969 47 HB2 LEU 6 HB2 LEU 6 53.751 3.592 -0.241 48 HB3 LEU 6 HB1 LEU 6 53.731 2.111 0.736 49 HG LEU 6 HG LEU 6 51.576 1.452 -0.218 50 HD11 LEU 6 HD11 LEU 6 50.734 2.931 -2.216 51 HD12 LEU 6 HD12 LEU 6 51.690 4.227 -1.459 52 HD13 LEU 6 HD13 LEU 6 50.357 3.463 -0.564 53 HD21 LEU 6 HD21 LEU 6 53.642 0.890 -1.460 54 HD22 LEU 6 HD22 LEU 6 53.517 2.420 -2.361 55 HD23 LEU 6 HD23 LEU 6 52.279 1.159 -2.572 56 H GLU 7 HN GLU 7 52.510 2.587 3.825 57 HA GLU 7 HA GLU 7 50.388 0.612 3.357 58 HB2 GLU 7 HB2 GLU 7 51.889 1.453 5.856 59 HB3 GLU 7 HB1 GLU 7 50.704 0.133 5.804 60 HG2 GLU 7 HG2 GLU 7 53.118 0.274 3.947 61 HG3 GLU 7 HG1 GLU 7 53.153 -0.564 5.518 62 H ARG 8 HN ARG 8 50.592 3.870 4.626 63 HA ARG 8 HA ARG 8 48.043 3.748 6.056 64 HB2 ARG 8 HB2 ARG 8 49.470 6.226 5.027 65 HB3 ARG 8 HB1 ARG 8 48.336 6.107 6.390 66 HG2 ARG 8 HG2 ARG 8 51.123 4.877 6.228 67 HG3 ARG 8 HG1 ARG 8 50.618 6.233 7.262 68 HD2 ARG 8 HD2 ARG 8 49.877 3.299 7.482 69 HD3 ARG 8 HD1 ARG 8 50.543 4.379 8.730 70 HE ARG 8 HE ARG 8 48.068 5.495 8.085 71 HH11 ARG 8 HH11 ARG 8 48.766 4.271 10.763 72 HH12 ARG 8 HH12 ARG 8 47.553 3.043 10.908 73 HH21 ARG 8 HH21 ARG 8 46.700 3.112 7.547 74 HH22 ARG 8 HH22 ARG 8 46.384 2.386 9.088 75 H ILE 9 HN ILE 9 47.506 6.533 4.719 76 HA ILE 9 HA ILE 9 46.346 5.602 2.131 77 HB ILE 9 HB ILE 9 44.151 6.817 2.825 78 HG12 ILE 9 HG12 ILE 9 45.112 6.083 5.630 79 HG13 ILE 9 HG11 ILE 9 45.299 7.720 4.976 80 HG21 ILE 9 HG21 ILE 9 44.403 4.339 2.512 81 HG22 ILE 9 HG22 ILE 9 43.222 4.755 3.771 82 HG23 ILE 9 HG23 ILE 9 44.848 4.195 4.228 83 HD11 ILE 9 HD1 ILE 9 42.726 6.208 5.537 84 HD12 ILE 9 HD2 ILE 9 42.760 7.639 4.479 85 HD13 ILE 9 HD3 ILE 9 43.251 7.778 6.181 86 H GLY 10 HN GLY 10 46.629 7.043 0.611 87 HA2 GLY 10 HA1 GLY 10 47.886 9.583 1.223 88 HA3 GLY 10 HA2 GLY 10 47.380 9.008 -0.378 89 H LYS 11 HN LYS 11 44.646 8.552 1.192 90 HA LYS 11 HA LYS 11 43.341 10.837 0.097 91 HB2 LYS 11 HB2 LYS 11 42.507 8.924 2.314 92 HB3 LYS 11 HB1 LYS 11 41.423 10.131 1.580 93 HG2 LYS 11 HG2 LYS 11 42.020 9.066 -0.693 94 HG3 LYS 11 HG1 LYS 11 42.750 7.738 0.240 95 HD2 LYS 11 HD2 LYS 11 39.857 8.686 0.468 96 HD3 LYS 11 HD1 LYS 11 40.402 7.225 -0.389 97 HE2 LYS 11 HE2 LYS 11 41.486 6.538 1.878 98 HE3 LYS 11 HE1 LYS 11 40.449 7.797 2.592 99 HZ1 LYS 11 HZ1 LYS 11 38.886 6.289 0.834 100 HZ2 LYS 11 HZ2 LYS 11 38.773 6.376 2.527 101 HZ3 LYS 11 HZ3 LYS 11 39.749 5.192 1.798 102 H ALA 12 HN ALA 12 43.719 12.875 0.669 103 HA ALA 12 HA ALA 12 44.663 13.551 3.350 104 HB1 ALA 12 HB1 ALA 12 45.432 14.887 1.520 105 HB2 ALA 12 HB2 ALA 12 44.338 15.913 2.480 106 HB3 ALA 12 HB3 ALA 12 43.771 15.184 0.957 107 H GLY 13 HN GLY 13 41.779 12.479 2.363 108 HA2 GLY 13 HA1 GLY 13 39.563 12.861 2.979 109 HA3 GLY 13 HA2 GLY 13 40.291 12.976 4.593 110 H PHE 14 HN PHE 14 40.698 15.250 1.878 111 HA PHE 14 HA PHE 14 38.745 17.133 2.902 112 HB2 PHE 14 HB2 PHE 14 40.677 17.228 4.616 113 HB3 PHE 14 HB1 PHE 14 41.632 17.989 3.324 114 HD1 PHE 14 HD1 PHE 14 38.283 18.254 5.038 115 HD2 PHE 14 HD2 PHE 14 41.491 20.343 3.041 116 HE1 PHE 14 HE1 PHE 14 37.182 20.431 5.545 117 HE2 PHE 14 HE2 PHE 14 40.388 22.517 3.548 118 HZ PHE 14 HZ PHE 14 38.254 22.563 4.832 119 H ILE 15 HN ILE 15 41.192 16.078 0.744 120 HA ILE 15 HA ILE 15 40.212 17.966 -1.306 121 HB ILE 15 HB ILE 15 42.561 18.616 -1.977 122 HG12 ILE 15 HG12 ILE 15 43.209 17.480 0.784 123 HG13 ILE 15 HG11 ILE 15 43.740 16.800 -0.771 124 HG21 ILE 15 HG21 ILE 15 40.976 20.057 -0.562 125 HG22 ILE 15 HG22 ILE 15 42.705 20.446 -0.429 126 HG23 ILE 15 HG23 ILE 15 41.900 19.515 0.857 127 HD11 ILE 15 HD1 ILE 15 45.603 18.077 -0.056 128 HD12 ILE 15 HD2 ILE 15 44.582 19.402 0.546 129 HD13 ILE 15 HD3 ILE 15 44.781 19.155 -1.207 130 H ILE 16 HN ILE 16 39.727 15.310 -1.104 131 HA ILE 16 HA ILE 16 41.188 14.297 -3.493 132 HB ILE 16 HB ILE 16 42.350 13.444 -1.408 133 HG12 ILE 16 HG12 ILE 16 42.219 10.997 -2.106 134 HG13 ILE 16 HG11 ILE 16 40.903 11.442 -3.212 135 HG21 ILE 16 HG21 ILE 16 41.241 11.931 0.071 136 HG22 ILE 16 HG22 ILE 16 39.817 11.815 -0.987 137 HG23 ILE 16 HG23 ILE 16 40.150 13.322 -0.100 138 HD11 ILE 16 HD1 ILE 16 43.519 12.973 -3.372 139 HD12 ILE 16 HD2 ILE 16 42.332 12.629 -4.653 140 HD13 ILE 16 HD3 ILE 16 43.423 11.347 -4.085 141 H ILE 17 HN ILE 17 38.599 13.879 -1.075 142 HA ILE 17 HA ILE 17 37.075 12.031 -2.703 143 HB ILE 17 HB ILE 17 35.127 12.799 -1.146 144 HG12 ILE 17 HG12 ILE 17 35.867 13.949 0.931 145 HG13 ILE 17 HG11 ILE 17 37.484 14.175 0.239 146 HG21 ILE 17 HG21 ILE 17 36.062 11.520 0.756 147 HG22 ILE 17 HG22 ILE 17 37.694 11.679 0.062 148 HG23 ILE 17 HG23 ILE 17 36.449 10.741 -0.796 149 HD11 ILE 17 HD1 ILE 17 35.030 15.200 -1.231 150 HD12 ILE 17 HD2 ILE 17 36.721 15.751 -1.352 151 HD13 ILE 17 HD3 ILE 17 35.758 16.146 0.088 152 H GLY 18 HN GLY 18 37.925 15.103 -3.363 153 HA2 GLY 18 HA1 GLY 18 35.909 15.399 -5.401 154 HA3 GLY 18 HA2 GLY 18 35.583 16.494 -4.042 155 H GLY 19 HN GLY 19 38.462 16.756 -3.390 156 HA2 GLY 19 HA1 GLY 19 39.032 19.120 -4.788 157 HA3 GLY 19 HA2 GLY 19 40.243 18.113 -3.971 158 H ALA 20 HN ALA 20 39.877 15.765 -5.590 159 HA ALA 20 HA ALA 20 41.615 16.527 -7.803 160 HB1 ALA 20 HB1 ALA 20 40.237 13.889 -7.192 161 HB2 ALA 20 HB2 ALA 20 41.840 14.383 -6.597 162 HB3 ALA 20 HB3 ALA 20 41.573 14.136 -8.340 163 H LEU 21 HN LEU 21 38.187 16.005 -7.341 164 HA LEU 21 HA LEU 21 36.408 16.158 -8.814 165 HB2 LEU 21 HB2 LEU 21 37.606 18.380 -9.237 166 HB3 LEU 21 HB1 LEU 21 38.328 17.613 -10.666 167 HG LEU 21 HG LEU 21 35.814 16.984 -11.268 168 HD11 LEU 21 HD11 LEU 21 34.743 17.735 -9.203 169 HD12 LEU 21 HD12 LEU 21 34.242 18.811 -10.524 170 HD13 LEU 21 HD13 LEU 21 35.475 19.349 -9.363 171 HD21 LEU 21 HD21 LEU 21 37.228 18.500 -12.603 172 HD22 LEU 21 HD22 LEU 21 36.885 19.835 -11.477 173 HD23 LEU 21 HD23 LEU 21 35.576 19.150 -12.471 174 H ASP 22 HN ASP 22 37.123 13.727 -8.939 175 HA ASP 22 HA ASP 22 37.364 11.833 -10.260 176 HB2 ASP 22 HB2 ASP 22 36.258 13.634 -12.450 177 HB3 ASP 22 HB1 ASP 22 36.197 11.856 -12.393 178 H HIS 23 HN HIS 23 39.735 13.192 -9.947 179 HA HIS 23 HA HIS 23 41.832 13.476 -10.904 180 HB2 HIS 23 HB2 HIS 23 40.813 11.404 -12.888 181 HB3 HIS 23 HB1 HIS 23 42.514 11.778 -12.516 182 HD1 HIS 23 HD1 HIS 23 41.712 12.131 -9.320 183 HD2 HIS 23 HD2 HIS 23 41.281 8.750 -11.782 184 HE1 HIS 23 HE1 HIS 23 41.579 10.089 -7.791 185 H LEU 24 HN LEU 24 40.548 15.610 -11.539 186 HA LEU 24 HA LEU 24 41.565 16.334 -14.139 187 HB2 LEU 24 HB2 LEU 24 39.670 15.159 -15.049 188 HB3 LEU 24 HB1 LEU 24 38.567 15.888 -13.864 189 HG LEU 24 HG LEU 24 38.786 18.074 -14.886 190 HD11 LEU 24 HD11 LEU 24 41.098 18.227 -15.461 191 HD12 LEU 24 HD12 LEU 24 40.247 18.256 -17.021 192 HD13 LEU 24 HD13 LEU 24 41.033 16.758 -16.464 193 HD21 LEU 24 HD21 LEU 24 37.271 16.393 -15.984 194 HD22 LEU 24 HD22 LEU 24 38.590 15.997 -17.111 195 HD23 LEU 24 HD23 LEU 24 37.879 17.629 -17.110 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 63.309 -2.211 3.670 2 H2 GLY 1 HT2 GLY 1 63.262 -0.961 2.520 3 H3 GLY 1 HT3 GLY 1 61.827 -1.736 3.000 4 HA2 GLY 1 HA1 GLY 1 63.300 -0.650 5.180 5 HA3 GLY 1 HA2 GLY 1 62.800 0.565 3.986 6 H LYS 2 HN LYS 2 60.502 0.564 3.323 7 HA LYS 2 HA LYS 2 58.278 0.784 3.956 8 HB2 LYS 2 HB2 LYS 2 58.674 -1.760 5.572 9 HB3 LYS 2 HB1 LYS 2 57.187 -1.172 4.788 10 HG2 LYS 2 HG2 LYS 2 58.456 -1.351 2.560 11 HG3 LYS 2 HG1 LYS 2 59.705 -2.246 3.457 12 HD2 LYS 2 HD2 LYS 2 56.758 -3.005 3.236 13 HD3 LYS 2 HD1 LYS 2 58.114 -3.816 2.421 14 HE2 LYS 2 HE2 LYS 2 59.086 -4.154 4.819 15 HE3 LYS 2 HE1 LYS 2 57.440 -3.766 5.380 16 HZ1 LYS 2 HZ1 LYS 2 58.432 -6.156 4.156 17 HZ2 LYS 2 HZ2 LYS 2 57.068 -5.551 3.343 18 HZ3 LYS 2 HZ3 LYS 2 56.987 -5.894 5.004 19 H GLY 3 HN GLY 3 57.111 -0.289 6.466 20 HA2 GLY 3 HA1 GLY 3 56.471 0.882 8.487 21 HA3 GLY 3 HA2 GLY 3 58.272 0.673 8.843 22 H ARG 4 HN ARG 4 55.842 1.741 7.208 23 HA ARG 4 HA ARG 4 55.216 3.395 8.501 24 HB2 ARG 4 HB2 ARG 4 57.443 4.829 7.159 25 HB3 ARG 4 HB1 ARG 4 55.940 5.778 7.183 26 HG2 ARG 4 HG2 ARG 4 55.987 6.123 9.475 27 HG3 ARG 4 HG1 ARG 4 56.687 4.539 9.833 28 HD2 ARG 4 HD2 ARG 4 58.323 6.247 10.381 29 HD3 ARG 4 HD1 ARG 4 58.897 5.396 8.929 30 HE ARG 4 HE ARG 4 57.374 7.618 8.045 31 HH11 ARG 4 HH11 ARG 4 60.173 7.158 7.173 32 HH12 ARG 4 HH12 ARG 4 61.016 8.497 7.879 33 HH21 ARG 4 HH21 ARG 4 58.479 9.254 10.119 34 HH22 ARG 4 HH22 ARG 4 60.057 9.684 9.546 35 H TRP 5 HN TRP 5 55.596 2.225 5.567 36 HA TRP 5 HA TRP 5 54.238 3.662 3.627 37 HB2 TRP 5 HB2 TRP 5 55.098 1.372 3.285 38 HB3 TRP 5 HB1 TRP 5 53.805 0.740 4.334 39 HD1 TRP 5 HD1 TRP 5 53.722 3.254 1.362 40 HE1 TRP 5 HE1 TRP 5 51.879 2.508 -0.312 41 HE3 TRP 5 HE3 TRP 5 52.175 -1.023 3.714 42 HZ2 TRP 5 HZ2 TRP 5 50.004 0.340 -0.569 43 HZ3 TRP 5 HZ3 TRP 5 50.357 -2.416 2.734 44 HH2 TRP 5 HH2 TRP 5 49.272 -1.739 0.598 45 H LEU 6 HN LEU 6 53.040 2.465 6.633 46 HA LEU 6 HA LEU 6 50.180 2.896 5.887 47 HB2 LEU 6 HB2 LEU 6 51.281 1.983 8.568 48 HB3 LEU 6 HB1 LEU 6 49.650 1.742 7.897 49 HG LEU 6 HG LEU 6 52.240 0.496 6.870 50 HD11 LEU 6 HD11 LEU 6 51.159 -1.620 7.585 51 HD12 LEU 6 HD12 LEU 6 49.762 -0.699 8.194 52 HD13 LEU 6 HD13 LEU 6 51.358 -0.505 8.957 53 HD21 LEU 6 HD21 LEU 6 49.380 0.476 5.819 54 HD22 LEU 6 HD22 LEU 6 50.536 -0.817 5.419 55 HD23 LEU 6 HD23 LEU 6 50.879 0.859 4.938 56 H GLU 7 HN GLU 7 52.883 4.384 7.634 57 HA GLU 7 HA GLU 7 51.232 6.062 9.327 58 HB2 GLU 7 HB2 GLU 7 53.697 5.569 9.631 59 HB3 GLU 7 HB1 GLU 7 54.021 6.654 8.260 60 HG2 GLU 7 HG2 GLU 7 52.405 7.555 10.684 61 HG3 GLU 7 HG1 GLU 7 54.178 7.677 10.633 62 H ARG 8 HN ARG 8 52.296 6.215 5.984 63 HA ARG 8 HA ARG 8 51.947 8.995 5.500 64 HB2 ARG 8 HB2 ARG 8 52.895 7.179 3.940 65 HB3 ARG 8 HB1 ARG 8 51.204 6.797 3.534 66 HG2 ARG 8 HG2 ARG 8 50.841 9.146 2.829 67 HG3 ARG 8 HG1 ARG 8 52.532 9.529 3.234 68 HD2 ARG 8 HD2 ARG 8 53.229 7.698 1.607 69 HD3 ARG 8 HD1 ARG 8 51.528 7.614 1.089 70 HE ARG 8 HE ARG 8 52.477 10.337 0.975 71 HH11 ARG 8 HH11 ARG 8 54.740 9.469 -0.465 72 HH12 ARG 8 HH12 ARG 8 54.173 9.142 -2.069 73 HH21 ARG 8 HH21 ARG 8 50.838 8.962 -1.140 74 HH22 ARG 8 HH22 ARG 8 51.964 8.855 -2.450 75 H ILE 9 HN ILE 9 50.217 10.300 5.406 76 HA ILE 9 HA ILE 9 47.584 9.182 6.014 77 HB ILE 9 HB ILE 9 46.850 11.635 5.584 78 HG12 ILE 9 HG12 ILE 9 49.783 12.363 5.896 79 HG13 ILE 9 HG11 ILE 9 49.215 11.941 4.269 80 HG21 ILE 9 HG21 ILE 9 48.907 10.890 7.707 81 HG22 ILE 9 HG22 ILE 9 47.134 10.797 7.832 82 HG23 ILE 9 HG23 ILE 9 47.938 12.382 7.750 83 HD11 ILE 9 HD1 ILE 9 47.422 13.629 4.434 84 HD12 ILE 9 HD2 ILE 9 49.024 14.371 4.670 85 HD13 ILE 9 HD3 ILE 9 47.971 14.058 6.072 86 H GLY 10 HN GLY 10 46.352 8.226 4.595 87 HA2 GLY 10 HA1 GLY 10 46.735 8.579 1.724 88 HA3 GLY 10 HA2 GLY 10 45.518 7.564 2.522 89 H LYS 11 HN LYS 11 45.236 10.468 4.007 90 HA LYS 11 HA LYS 11 42.782 11.102 2.558 91 HB2 LYS 11 HB2 LYS 11 44.284 12.506 4.801 92 HB3 LYS 11 HB1 LYS 11 42.713 13.048 4.160 93 HG2 LYS 11 HG2 LYS 11 41.767 10.783 4.684 94 HG3 LYS 11 HG1 LYS 11 43.322 10.343 5.432 95 HD2 LYS 11 HD2 LYS 11 43.092 12.072 7.108 96 HD3 LYS 11 HD1 LYS 11 41.674 12.760 6.281 97 HE2 LYS 11 HE2 LYS 11 41.042 11.349 8.249 98 HE3 LYS 11 HE1 LYS 11 40.382 10.723 6.720 99 HZ1 LYS 11 HZ1 LYS 11 41.411 8.998 8.136 100 HZ2 LYS 11 HZ2 LYS 11 42.912 9.780 7.977 101 HZ3 LYS 11 HZ3 LYS 11 42.144 9.121 6.612 102 H ALA 12 HN ALA 12 43.158 11.753 0.480 103 HA ALA 12 HA ALA 12 45.255 13.703 -0.142 104 HB1 ALA 12 HB1 ALA 12 44.457 13.540 -2.399 105 HB2 ALA 12 HB2 ALA 12 42.910 12.839 -1.864 106 HB3 ALA 12 HB3 ALA 12 44.416 11.903 -1.703 107 H GLY 13 HN GLY 13 43.452 14.597 1.901 108 HA2 GLY 13 HA1 GLY 13 42.483 16.638 2.434 109 HA3 GLY 13 HA2 GLY 13 42.792 17.188 0.776 110 H PHE 14 HN PHE 14 40.738 14.785 2.487 111 HA PHE 14 HA PHE 14 38.503 14.249 2.185 112 HB2 PHE 14 HB2 PHE 14 38.281 16.639 2.920 113 HB3 PHE 14 HB1 PHE 14 38.244 17.119 1.207 114 HD1 PHE 14 HD1 PHE 14 36.164 17.156 0.067 115 HD2 PHE 14 HD2 PHE 14 36.582 14.764 3.637 116 HE1 PHE 14 HE1 PHE 14 33.733 16.617 -0.008 117 HE2 PHE 14 HE2 PHE 14 34.150 14.227 3.561 118 HZ PHE 14 HZ PHE 14 32.722 15.172 1.751 119 H ILE 15 HN ILE 15 40.379 13.787 -0.023 120 HA ILE 15 HA ILE 15 40.294 13.099 -2.213 121 HB ILE 15 HB ILE 15 37.257 13.261 -2.052 122 HG12 ILE 15 HG12 ILE 15 39.111 11.050 -1.049 123 HG13 ILE 15 HG11 ILE 15 38.100 12.102 -0.033 124 HG21 ILE 15 HG21 ILE 15 38.486 12.745 -4.238 125 HG22 ILE 15 HG22 ILE 15 37.305 11.528 -3.709 126 HG23 ILE 15 HG23 ILE 15 39.047 11.245 -3.467 127 HD11 ILE 15 HD1 ILE 15 36.806 10.129 -0.255 128 HD12 ILE 15 HD2 ILE 15 37.228 9.935 -1.972 129 HD13 ILE 15 HD3 ILE 15 36.103 11.221 -1.469 130 H ILE 16 HN ILE 16 41.089 15.409 -2.232 131 HA ILE 16 HA ILE 16 39.504 16.902 -4.304 132 HB ILE 16 HB ILE 16 41.061 18.037 -1.950 133 HG12 ILE 16 HG12 ILE 16 38.683 17.057 -1.534 134 HG13 ILE 16 HG11 ILE 16 39.017 18.698 -0.957 135 HG21 ILE 16 HG21 ILE 16 40.102 20.248 -2.821 136 HG22 ILE 16 HG22 ILE 16 39.648 19.367 -4.300 137 HG23 ILE 16 HG23 ILE 16 41.358 19.506 -3.837 138 HD11 ILE 16 HD1 ILE 16 36.784 18.381 -2.157 139 HD12 ILE 16 HD2 ILE 16 37.706 18.148 -3.656 140 HD13 ILE 16 HD3 ILE 16 37.807 19.692 -2.782 141 H ILE 17 HN ILE 17 42.653 16.607 -2.603 142 HA ILE 17 HA ILE 17 44.164 17.670 -4.841 143 HB ILE 17 HB ILE 17 45.171 15.812 -2.639 144 HG12 ILE 17 HG12 ILE 17 44.041 17.593 -1.493 145 HG13 ILE 17 HG11 ILE 17 45.769 17.992 -1.439 146 HG21 ILE 17 HG21 ILE 17 47.283 17.325 -3.066 147 HG22 ILE 17 HG22 ILE 17 46.491 17.715 -4.609 148 HG23 ILE 17 HG23 ILE 17 46.900 16.033 -4.221 149 HD11 ILE 17 HD1 ILE 17 43.598 19.222 -3.172 150 HD12 ILE 17 HD2 ILE 17 45.319 19.411 -3.567 151 HD13 ILE 17 HD3 ILE 17 44.688 20.030 -2.027 152 H GLY 18 HN GLY 18 43.297 14.438 -3.653 153 HA2 GLY 18 HA1 GLY 18 44.769 13.082 -5.797 154 HA3 GLY 18 HA2 GLY 18 43.695 12.338 -4.594 155 H GLY 19 HN GLY 19 41.326 13.643 -4.933 156 HA2 GLY 19 HA1 GLY 19 40.310 12.352 -7.298 157 HA3 GLY 19 HA2 GLY 19 39.427 13.480 -6.254 158 H ALA 20 HN ALA 20 41.390 15.640 -6.593 159 HA ALA 20 HA ALA 20 41.709 17.452 -7.994 160 HB1 ALA 20 HB1 ALA 20 42.335 17.064 -10.246 161 HB2 ALA 20 HB2 ALA 20 41.352 15.584 -10.354 162 HB3 ALA 20 HB3 ALA 20 42.834 15.600 -9.369 163 H LEU 21 HN LEU 21 38.894 15.811 -7.699 164 HA LEU 21 HA LEU 21 36.694 16.356 -8.143 165 HB2 LEU 21 HB2 LEU 21 37.727 18.663 -7.408 166 HB3 LEU 21 HB1 LEU 21 37.583 19.085 -9.126 167 HG LEU 21 HG LEU 21 35.081 18.186 -8.839 168 HD11 LEU 21 HD11 LEU 21 35.867 18.935 -5.984 169 HD12 LEU 21 HD12 LEU 21 35.316 17.339 -6.543 170 HD13 LEU 21 HD13 LEU 21 34.198 18.720 -6.557 171 HD21 LEU 21 HD21 LEU 21 35.685 20.518 -9.390 172 HD22 LEU 21 HD22 LEU 21 36.021 20.845 -7.673 173 HD23 LEU 21 HD23 LEU 21 34.362 20.477 -8.201 174 H ASP 22 HN ASP 22 38.946 15.876 -10.414 175 HA ASP 22 HA ASP 22 37.760 16.853 -12.830 176 HB2 ASP 22 HB2 ASP 22 39.504 14.421 -12.283 177 HB3 ASP 22 HB1 ASP 22 39.077 14.998 -13.911 178 H HIS 23 HN HIS 23 38.045 13.381 -12.663 179 HA HIS 23 HA HIS 23 35.207 13.126 -13.514 180 HB2 HIS 23 HB2 HIS 23 37.057 11.919 -14.699 181 HB3 HIS 23 HB1 HIS 23 37.361 10.995 -13.208 182 HD1 HIS 23 HD1 HIS 23 33.795 11.764 -13.609 183 HD2 HIS 23 HD2 HIS 23 36.409 8.745 -14.932 184 HE1 HIS 23 HE1 HIS 23 32.358 9.798 -14.384 185 H LEU 24 HN LEU 24 37.376 12.232 -10.844 186 HA LEU 24 HA LEU 24 35.200 10.770 -9.449 187 HB2 LEU 24 HB2 LEU 24 37.932 11.454 -8.315 188 HB3 LEU 24 HB1 LEU 24 36.870 10.081 -7.921 189 HG LEU 24 HG LEU 24 38.359 10.538 -10.545 190 HD11 LEU 24 HD11 LEU 24 39.778 9.734 -8.699 191 HD12 LEU 24 HD12 LEU 24 39.517 8.431 -9.883 192 HD13 LEU 24 HD13 LEU 24 38.614 8.435 -8.348 193 HD21 LEU 24 HD21 LEU 24 36.273 9.504 -11.126 194 HD22 LEU 24 HD22 LEU 24 36.304 8.457 -9.687 195 HD23 LEU 24 HD23 LEU 24 37.447 8.172 -11.022 Start of MODEL 21 1 H1 GLY 1 HT1 GLY 1 61.545 -1.069 3.106 2 H2 GLY 1 HT2 GLY 1 59.994 -0.563 2.634 3 H3 GLY 1 HT3 GLY 1 60.418 -2.206 2.552 4 HA2 GLY 1 HA1 GLY 1 59.645 -2.517 4.539 5 HA3 GLY 1 HA2 GLY 1 60.901 -1.413 5.134 6 H LYS 2 HN LYS 2 59.419 0.571 3.142 7 HA LYS 2 HA LYS 2 57.009 1.159 4.799 8 HB2 LYS 2 HB2 LYS 2 59.241 3.197 4.389 9 HB3 LYS 2 HB1 LYS 2 57.706 3.454 5.251 10 HG2 LYS 2 HG2 LYS 2 58.389 1.545 6.804 11 HG3 LYS 2 HG1 LYS 2 59.999 1.614 6.046 12 HD2 LYS 2 HD2 LYS 2 60.193 4.006 6.680 13 HD3 LYS 2 HD1 LYS 2 58.589 3.929 7.450 14 HE2 LYS 2 HE2 LYS 2 60.167 3.630 9.225 15 HE3 LYS 2 HE1 LYS 2 59.530 2.005 8.879 16 HZ1 LYS 2 HZ1 LYS 2 61.850 1.778 8.988 17 HZ2 LYS 2 HZ2 LYS 2 62.134 3.171 8.058 18 HZ3 LYS 2 HZ3 LYS 2 61.498 1.774 7.329 19 H GLY 3 HN GLY 3 57.627 4.011 3.439 20 HA2 GLY 3 HA1 GLY 3 56.363 5.049 1.645 21 HA3 GLY 3 HA2 GLY 3 57.394 3.885 0.652 22 H ARG 4 HN ARG 4 55.235 4.586 2.797 23 HA ARG 4 HA ARG 4 53.559 5.087 1.469 24 HB2 ARG 4 HB2 ARG 4 53.254 2.147 1.301 25 HB3 ARG 4 HB1 ARG 4 51.720 2.941 1.699 26 HG2 ARG 4 HG2 ARG 4 51.514 3.990 -0.364 27 HG3 ARG 4 HG1 ARG 4 53.261 4.157 -0.601 28 HD2 ARG 4 HD2 ARG 4 53.491 1.887 -1.306 29 HD3 ARG 4 HD1 ARG 4 51.882 1.448 -0.683 30 HE ARG 4 HE ARG 4 51.047 2.120 -2.774 31 HH11 ARG 4 HH11 ARG 4 53.423 2.143 -4.346 32 HH12 ARG 4 HH12 ARG 4 53.657 3.804 -4.779 33 HH21 ARG 4 HH21 ARG 4 51.548 5.020 -2.309 34 HH22 ARG 4 HH22 ARG 4 52.596 5.433 -3.624 35 H TRP 5 HN TRP 5 54.585 3.793 4.191 36 HA TRP 5 HA TRP 5 52.551 3.426 6.045 37 HB2 TRP 5 HB2 TRP 5 54.993 3.401 6.578 38 HB3 TRP 5 HB1 TRP 5 55.003 5.178 6.503 39 HD1 TRP 5 HD1 TRP 5 52.749 2.542 8.266 40 HE1 TRP 5 HE1 TRP 5 52.335 3.306 10.718 41 HE3 TRP 5 HE3 TRP 5 55.454 6.888 8.226 42 HZ2 TRP 5 HZ2 TRP 5 53.092 5.515 12.404 43 HZ3 TRP 5 HZ3 TRP 5 55.595 8.309 10.266 44 HH2 TRP 5 HH2 TRP 5 54.417 7.627 12.354 45 H LEU 6 HN LEU 6 53.222 6.218 4.168 46 HA LEU 6 HA LEU 6 51.296 7.888 5.770 47 HB2 LEU 6 HB2 LEU 6 53.361 8.854 3.759 48 HB3 LEU 6 HB1 LEU 6 52.417 9.827 4.914 49 HG LEU 6 HG LEU 6 54.529 7.741 5.625 50 HD11 LEU 6 HD11 LEU 6 55.845 9.658 6.378 51 HD12 LEU 6 HD12 LEU 6 54.515 10.772 5.981 52 HD13 LEU 6 HD13 LEU 6 55.375 9.911 4.682 53 HD21 LEU 6 HD21 LEU 6 52.958 7.674 7.407 54 HD22 LEU 6 HD22 LEU 6 52.607 9.415 7.291 55 HD23 LEU 6 HD23 LEU 6 54.159 8.860 7.963 56 H GLU 7 HN GLU 7 51.861 6.167 2.771 57 HA GLU 7 HA GLU 7 49.530 7.644 1.523 58 HB2 GLU 7 HB2 GLU 7 51.913 6.258 0.229 59 HB3 GLU 7 HB1 GLU 7 50.492 6.860 -0.655 60 HG2 GLU 7 HG2 GLU 7 50.927 9.144 0.152 61 HG3 GLU 7 HG1 GLU 7 52.305 8.561 1.115 62 H ARG 8 HN ARG 8 49.499 5.423 3.455 63 HA ARG 8 HA ARG 8 49.166 2.888 2.296 64 HB2 ARG 8 HB2 ARG 8 49.049 3.530 4.756 65 HB3 ARG 8 HB1 ARG 8 47.368 4.033 4.462 66 HG2 ARG 8 HG2 ARG 8 46.780 1.775 3.712 67 HG3 ARG 8 HG1 ARG 8 48.475 1.253 3.870 68 HD2 ARG 8 HD2 ARG 8 46.661 2.211 6.126 69 HD3 ARG 8 HD1 ARG 8 47.206 0.539 5.847 70 HE ARG 8 HE ARG 8 49.580 1.927 6.050 71 HH11 ARG 8 HH11 ARG 8 47.189 0.704 8.071 72 HH12 ARG 8 HH12 ARG 8 47.768 1.471 9.512 73 HH21 ARG 8 HH21 ARG 8 50.135 3.390 7.854 74 HH22 ARG 8 HH22 ARG 8 49.436 2.992 9.388 75 H ILE 9 HN ILE 9 47.275 5.742 1.816 76 HA ILE 9 HA ILE 9 45.492 4.250 -0.015 77 HB ILE 9 HB ILE 9 43.417 5.247 1.001 78 HG12 ILE 9 HG12 ILE 9 45.333 5.874 3.298 79 HG13 ILE 9 HG11 ILE 9 44.510 7.068 2.267 80 HG21 ILE 9 HG21 ILE 9 44.884 3.504 3.023 81 HG22 ILE 9 HG22 ILE 9 44.295 2.869 1.469 82 HG23 ILE 9 HG23 ILE 9 43.145 3.531 2.651 83 HD11 ILE 9 HD1 ILE 9 43.301 5.190 4.324 84 HD12 ILE 9 HD2 ILE 9 42.302 5.920 3.043 85 HD13 ILE 9 HD3 ILE 9 43.153 6.958 4.211 86 H GLY 10 HN GLY 10 46.849 7.175 1.324 87 HA2 GLY 10 HA1 GLY 10 47.267 9.194 0.245 88 HA3 GLY 10 HA2 GLY 10 46.558 8.523 -1.238 89 H LYS 11 HN LYS 11 44.013 7.800 -0.029 90 HA LYS 11 HA LYS 11 42.562 10.168 -0.528 91 HB2 LYS 11 HB2 LYS 11 41.871 7.719 1.142 92 HB3 LYS 11 HB1 LYS 11 40.701 9.008 0.761 93 HG2 LYS 11 HG2 LYS 11 41.104 8.639 -1.667 94 HG3 LYS 11 HG1 LYS 11 42.238 7.324 -1.270 95 HD2 LYS 11 HD2 LYS 11 40.349 6.197 -0.006 96 HD3 LYS 11 HD1 LYS 11 39.253 7.432 -0.671 97 HE2 LYS 11 HE2 LYS 11 39.175 5.447 -2.097 98 HE3 LYS 11 HE1 LYS 11 39.975 6.768 -2.981 99 HZ1 LYS 11 HZ1 LYS 11 41.970 5.734 -2.894 100 HZ2 LYS 11 HZ2 LYS 11 41.007 4.339 -2.778 101 HZ3 LYS 11 HZ3 LYS 11 41.687 5.026 -1.379 102 H ALA 12 HN ALA 12 42.880 12.044 0.499 103 HA ALA 12 HA ALA 12 43.756 12.171 3.258 104 HB1 ALA 12 HB1 ALA 12 42.630 14.234 1.343 105 HB2 ALA 12 HB2 ALA 12 44.338 13.952 1.760 106 HB3 ALA 12 HB3 ALA 12 43.221 14.623 2.976 107 H GLY 13 HN GLY 13 40.920 11.134 2.049 108 HA2 GLY 13 HA1 GLY 13 38.705 11.160 2.780 109 HA3 GLY 13 HA2 GLY 13 39.477 10.950 4.363 110 H PHE 14 HN PHE 14 39.733 13.846 2.332 111 HA PHE 14 HA PHE 14 37.632 15.278 3.745 112 HB2 PHE 14 HB2 PHE 14 39.497 15.092 5.484 113 HB3 PHE 14 HB1 PHE 14 40.470 16.133 4.420 114 HD1 PHE 14 HD1 PHE 14 37.000 15.978 5.914 115 HD2 PHE 14 HD2 PHE 14 40.336 18.472 4.767 116 HE1 PHE 14 HE1 PHE 14 35.827 17.975 6.830 117 HE2 PHE 14 HE2 PHE 14 39.160 20.464 5.685 118 HZ PHE 14 HZ PHE 14 36.873 20.228 6.644 119 H ILE 15 HN ILE 15 40.192 14.985 1.461 120 HA ILE 15 HA ILE 15 39.054 17.225 -0.097 121 HB ILE 15 HB ILE 15 41.348 18.214 -0.521 122 HG12 ILE 15 HG12 ILE 15 42.036 16.465 1.887 123 HG13 ILE 15 HG11 ILE 15 42.714 16.327 0.250 124 HG21 ILE 15 HG21 ILE 15 41.294 19.632 1.421 125 HG22 ILE 15 HG22 ILE 15 40.543 18.360 2.412 126 HG23 ILE 15 HG23 ILE 15 39.611 19.147 1.119 127 HD11 ILE 15 HD1 ILE 15 43.166 18.507 2.311 128 HD12 ILE 15 HD2 ILE 15 43.463 18.812 0.581 129 HD13 ILE 15 HD3 ILE 15 44.370 17.539 1.432 130 H ILE 16 HN ILE 16 38.751 14.630 -0.629 131 HA ILE 16 HA ILE 16 40.374 14.332 -3.107 132 HB ILE 16 HB ILE 16 41.495 13.015 -1.250 133 HG12 ILE 16 HG12 ILE 16 41.550 10.844 -2.571 134 HG13 ILE 16 HG11 ILE 16 40.239 11.487 -3.585 135 HG21 ILE 16 HG21 ILE 16 39.048 11.220 -1.415 136 HG22 ILE 16 HG22 ILE 16 39.247 12.455 -0.150 137 HG23 ILE 16 HG23 ILE 16 40.412 11.119 -0.280 138 HD11 ILE 16 HD1 ILE 16 42.800 11.770 -4.319 139 HD12 ILE 16 HD2 ILE 16 42.736 13.171 -3.227 140 HD13 ILE 16 HD3 ILE 16 41.629 13.072 -4.616 141 H ILE 17 HN ILE 17 37.695 13.244 -1.027 142 HA ILE 17 HA ILE 17 36.321 11.912 -3.261 143 HB ILE 17 HB ILE 17 34.343 12.009 -1.470 144 HG12 ILE 17 HG12 ILE 17 35.113 12.223 0.836 145 HG13 ILE 17 HG11 ILE 17 36.785 12.495 0.302 146 HG21 ILE 17 HG21 ILE 17 36.883 10.406 -0.942 147 HG22 ILE 17 HG22 ILE 17 35.613 9.968 -2.108 148 HG23 ILE 17 HG23 ILE 17 35.249 10.005 -0.366 149 HD11 ILE 17 HD1 ILE 17 36.245 14.635 -0.628 150 HD12 ILE 17 HD2 ILE 17 35.418 14.584 0.946 151 HD13 ILE 17 HD3 ILE 17 34.495 14.312 -0.549 152 H GLY 18 HN GLY 18 37.006 15.025 -2.740 153 HA2 GLY 18 HA1 GLY 18 34.726 15.937 -4.354 154 HA3 GLY 18 HA2 GLY 18 34.780 16.610 -2.711 155 H GLY 19 HN GLY 19 37.729 16.540 -2.603 156 HA2 GLY 19 HA1 GLY 19 38.289 19.165 -3.424 157 HA3 GLY 19 HA2 GLY 19 39.514 17.907 -3.159 158 H ALA 20 HN ALA 20 38.573 16.121 -5.217 159 HA ALA 20 HA ALA 20 39.074 15.716 -7.444 160 HB1 ALA 20 HB1 ALA 20 38.124 17.280 -9.063 161 HB2 ALA 20 HB2 ALA 20 37.976 18.525 -7.799 162 HB3 ALA 20 HB3 ALA 20 37.000 17.039 -7.705 163 H LEU 21 HN LEU 21 41.302 16.434 -6.010 164 HA LEU 21 HA LEU 21 42.764 18.651 -7.067 165 HB2 LEU 21 HB2 LEU 21 43.553 16.017 -5.779 166 HB3 LEU 21 HB1 LEU 21 44.796 17.137 -6.382 167 HG LEU 21 HG LEU 21 43.893 18.937 -4.955 168 HD11 LEU 21 HD11 LEU 21 42.168 18.198 -3.179 169 HD12 LEU 21 HD12 LEU 21 41.852 16.797 -4.229 170 HD13 LEU 21 HD13 LEU 21 41.555 18.447 -4.829 171 HD21 LEU 21 HD21 LEU 21 44.274 16.369 -3.353 172 HD22 LEU 21 HD22 LEU 21 44.616 18.029 -2.814 173 HD23 LEU 21 HD23 LEU 21 45.605 17.286 -4.095 174 H ASP 22 HN ASP 22 43.250 19.030 -9.115 175 HA ASP 22 HA ASP 22 43.892 18.676 -11.308 176 HB2 ASP 22 HB2 ASP 22 45.931 17.785 -10.139 177 HB3 ASP 22 HB1 ASP 22 45.227 16.154 -10.247 178 H HIS 23 HN HIS 23 43.688 15.220 -10.394 179 HA HIS 23 HA HIS 23 41.076 14.865 -11.616 180 HB2 HIS 23 HB2 HIS 23 42.497 15.211 -13.652 181 HB3 HIS 23 HB1 HIS 23 43.469 13.802 -13.167 182 HD1 HIS 23 HD1 HIS 23 42.536 11.480 -13.616 183 HD2 HIS 23 HD2 HIS 23 39.781 14.553 -14.414 184 HE1 HIS 23 HE1 HIS 23 40.512 10.412 -14.747 185 H LEU 24 HN LEU 24 42.597 14.221 -9.172 186 HA LEU 24 HA LEU 24 41.726 11.466 -8.930 187 HB2 LEU 24 HB2 LEU 24 44.063 11.448 -10.163 188 HB3 LEU 24 HB1 LEU 24 44.719 11.790 -8.548 189 HG LEU 24 HG LEU 24 42.909 9.435 -9.270 190 HD11 LEU 24 HD11 LEU 24 45.190 9.263 -10.223 191 HD12 LEU 24 HD12 LEU 24 44.953 8.083 -8.911 192 HD13 LEU 24 HD13 LEU 24 45.886 9.570 -8.614 193 HD21 LEU 24 HD21 LEU 24 44.184 10.395 -6.677 194 HD22 LEU 24 HD22 LEU 24 43.773 8.679 -6.921 195 HD23 LEU 24 HD23 LEU 24 42.496 9.913 -6.977 Start of MODEL 22 1 H1 GLY 1 HT1 GLY 1 62.262 2.207 -1.665 2 H2 GLY 1 HT2 GLY 1 62.827 2.280 -0.063 3 H3 GLY 1 HT3 GLY 1 61.466 3.183 -0.531 4 HA2 GLY 1 HA1 GLY 1 60.772 0.691 -1.225 5 HA3 GLY 1 HA2 GLY 1 61.694 0.458 0.273 6 H LYS 2 HN LYS 2 60.449 0.364 2.001 7 HA LYS 2 HA LYS 2 57.719 1.261 2.008 8 HB2 LYS 2 HB2 LYS 2 57.884 0.845 4.492 9 HB3 LYS 2 HB1 LYS 2 58.416 -0.518 3.489 10 HG2 LYS 2 HG2 LYS 2 60.726 -0.051 3.858 11 HG3 LYS 2 HG1 LYS 2 60.386 1.557 4.530 12 HD2 LYS 2 HD2 LYS 2 59.209 -0.883 5.905 13 HD3 LYS 2 HD1 LYS 2 60.928 -0.504 6.147 14 HE2 LYS 2 HE2 LYS 2 58.700 1.533 6.577 15 HE3 LYS 2 HE1 LYS 2 59.361 0.509 7.872 16 HZ1 LYS 2 HZ1 LYS 2 61.018 2.283 6.153 17 HZ2 LYS 2 HZ2 LYS 2 61.511 1.441 7.543 18 HZ3 LYS 2 HZ3 LYS 2 60.418 2.735 7.673 19 H GLY 3 HN GLY 3 58.460 2.430 4.927 20 HA2 GLY 3 HA1 GLY 3 57.992 4.713 5.646 21 HA3 GLY 3 HA2 GLY 3 59.623 4.945 4.805 22 H ARG 4 HN ARG 4 56.610 4.238 4.909 23 HA ARG 4 HA ARG 4 55.686 6.184 5.014 24 HB2 ARG 4 HB2 ARG 4 56.177 6.253 2.070 25 HB3 ARG 4 HB1 ARG 4 54.545 6.791 2.534 26 HG2 ARG 4 HG2 ARG 4 55.293 8.744 3.536 27 HG3 ARG 4 HG1 ARG 4 56.793 8.022 4.129 28 HD2 ARG 4 HD2 ARG 4 57.892 8.338 2.044 29 HD3 ARG 4 HD1 ARG 4 56.357 8.517 1.162 30 HE ARG 4 HE ARG 4 56.744 10.596 3.174 31 HH11 ARG 4 HH11 ARG 4 59.217 10.633 1.431 32 HH12 ARG 4 HH12 ARG 4 58.742 11.729 0.177 33 HH21 ARG 4 HH21 ARG 4 55.362 11.539 0.929 34 HH22 ARG 4 HH22 ARG 4 56.559 12.241 -0.107 35 H TRP 5 HN TRP 5 55.637 3.208 3.801 36 HA TRP 5 HA TRP 5 53.146 2.522 2.785 37 HB2 TRP 5 HB2 TRP 5 55.019 0.933 3.298 38 HB3 TRP 5 HB1 TRP 5 54.572 1.031 5.018 39 HD1 TRP 5 HD1 TRP 5 52.536 0.482 1.746 40 HE1 TRP 5 HE1 TRP 5 50.903 -1.509 2.103 41 HE3 TRP 5 HE3 TRP 5 53.790 -0.741 6.559 42 HZ2 TRP 5 HZ2 TRP 5 50.254 -3.363 4.206 43 HZ3 TRP 5 HZ3 TRP 5 52.651 -2.626 7.719 44 HH2 TRP 5 HH2 TRP 5 50.886 -3.937 6.549 45 H LEU 6 HN LEU 6 53.865 3.951 5.815 46 HA LEU 6 HA LEU 6 51.093 3.386 6.850 47 HB2 LEU 6 HB2 LEU 6 53.516 4.319 8.432 48 HB3 LEU 6 HB1 LEU 6 51.968 3.703 9.061 49 HG LEU 6 HG LEU 6 53.990 2.100 7.427 50 HD11 LEU 6 HD11 LEU 6 53.208 1.913 10.370 51 HD12 LEU 6 HD12 LEU 6 54.707 2.655 9.760 52 HD13 LEU 6 HD13 LEU 6 54.418 0.914 9.530 53 HD21 LEU 6 HD21 LEU 6 51.849 1.168 6.949 54 HD22 LEU 6 HD22 LEU 6 51.255 1.458 8.603 55 HD23 LEU 6 HD23 LEU 6 52.454 0.179 8.298 56 H GLU 7 HN GLU 7 53.189 5.813 5.491 57 HA GLU 7 HA GLU 7 52.230 8.072 6.990 58 HB2 GLU 7 HB2 GLU 7 54.216 8.089 5.518 59 HB3 GLU 7 HB1 GLU 7 53.159 7.918 4.097 60 HG2 GLU 7 HG2 GLU 7 52.749 10.196 6.080 61 HG3 GLU 7 HG1 GLU 7 53.966 10.324 4.789 62 H ARG 8 HN ARG 8 50.768 6.082 4.540 63 HA ARG 8 HA ARG 8 48.985 7.729 3.219 64 HB2 ARG 8 HB2 ARG 8 48.392 5.030 4.495 65 HB3 ARG 8 HB1 ARG 8 47.387 5.815 3.253 66 HG2 ARG 8 HG2 ARG 8 49.245 5.789 1.664 67 HG3 ARG 8 HG1 ARG 8 50.340 5.136 2.909 68 HD2 ARG 8 HD2 ARG 8 48.792 3.139 3.103 69 HD3 ARG 8 HD1 ARG 8 47.902 3.767 1.696 70 HE ARG 8 HE ARG 8 50.462 2.403 1.612 71 HH11 ARG 8 HH11 ARG 8 51.538 4.725 0.412 72 HH12 ARG 8 HH12 ARG 8 50.980 4.697 -1.229 73 HH21 ARG 8 HH21 ARG 8 48.438 2.422 -0.603 74 HH22 ARG 8 HH22 ARG 8 49.224 3.394 -1.803 75 H ILE 9 HN ILE 9 48.240 9.536 4.274 76 HA ILE 9 HA ILE 9 47.084 9.499 6.905 77 HB ILE 9 HB ILE 9 46.088 11.713 6.238 78 HG12 ILE 9 HG12 ILE 9 47.362 10.998 3.555 79 HG13 ILE 9 HG11 ILE 9 45.623 11.179 3.875 80 HG21 ILE 9 HG21 ILE 9 48.982 11.482 5.316 81 HG22 ILE 9 HG22 ILE 9 48.511 11.365 7.028 82 HG23 ILE 9 HG23 ILE 9 48.192 12.860 6.119 83 HD11 ILE 9 HD1 ILE 9 46.229 13.583 4.690 84 HD12 ILE 9 HD2 ILE 9 46.243 13.268 2.939 85 HD13 ILE 9 HD3 ILE 9 47.774 13.322 3.844 86 H GLY 10 HN GLY 10 45.924 8.456 3.836 87 HA2 GLY 10 HA1 GLY 10 43.921 7.385 3.334 88 HA3 GLY 10 HA2 GLY 10 43.412 7.587 5.023 89 H LYS 11 HN LYS 11 43.740 10.438 5.133 90 HA LYS 11 HA LYS 11 41.163 11.199 4.033 91 HB2 LYS 11 HB2 LYS 11 43.402 12.744 5.395 92 HB3 LYS 11 HB1 LYS 11 41.878 13.502 4.865 93 HG2 LYS 11 HG2 LYS 11 40.570 12.116 6.328 94 HG3 LYS 11 HG1 LYS 11 41.956 11.053 6.674 95 HD2 LYS 11 HD2 LYS 11 41.513 12.641 8.543 96 HD3 LYS 11 HD1 LYS 11 43.118 12.896 7.820 97 HE2 LYS 11 HE2 LYS 11 40.730 14.486 6.827 98 HE3 LYS 11 HE1 LYS 11 41.599 14.987 8.295 99 HZ1 LYS 11 HZ1 LYS 11 43.600 14.458 6.545 100 HZ2 LYS 11 HZ2 LYS 11 42.975 16.001 6.884 101 HZ3 LYS 11 HZ3 LYS 11 42.417 15.132 5.535 102 H ALA 12 HN ALA 12 40.916 11.380 1.893 103 HA ALA 12 HA ALA 12 43.107 12.285 0.172 104 HB1 ALA 12 HB1 ALA 12 41.285 10.608 -0.432 105 HB2 ALA 12 HB2 ALA 12 41.609 11.884 -1.630 106 HB3 ALA 12 HB3 ALA 12 40.182 11.997 -0.570 107 H GLY 13 HN GLY 13 42.701 14.226 2.091 108 HA2 GLY 13 HA1 GLY 13 42.488 16.524 2.219 109 HA3 GLY 13 HA2 GLY 13 42.336 16.546 0.452 110 H PHE 14 HN PHE 14 40.452 15.636 3.371 111 HA PHE 14 HA PHE 14 38.198 15.923 3.839 112 HB2 PHE 14 HB2 PHE 14 38.976 18.319 3.677 113 HB3 PHE 14 HB1 PHE 14 38.412 18.329 1.989 114 HD1 PHE 14 HD1 PHE 14 36.141 18.848 1.523 115 HD2 PHE 14 HD2 PHE 14 37.252 17.543 5.486 116 HE1 PHE 14 HE1 PHE 14 33.826 19.303 2.323 117 HE2 PHE 14 HE2 PHE 14 34.937 17.998 6.284 118 HZ PHE 14 HZ PHE 14 33.252 18.966 4.724 119 H ILE 15 HN ILE 15 38.966 14.281 1.508 120 HA ILE 15 HA ILE 15 37.909 13.155 -0.191 121 HB ILE 15 HB ILE 15 35.300 14.476 0.667 122 HG12 ILE 15 HG12 ILE 15 36.759 12.088 1.892 123 HG13 ILE 15 HG11 ILE 15 36.401 13.635 2.693 124 HG21 ILE 15 HG21 ILE 15 35.836 11.655 -0.351 125 HG22 ILE 15 HG22 ILE 15 35.477 13.017 -1.437 126 HG23 ILE 15 HG23 ILE 15 34.275 12.501 -0.235 127 HD11 ILE 15 HD1 ILE 15 34.473 11.440 1.865 128 HD12 ILE 15 HD2 ILE 15 33.904 13.104 2.151 129 HD13 ILE 15 HD3 ILE 15 34.685 12.191 3.464 130 H ILE 16 HN ILE 16 39.242 14.870 -1.272 131 HA ILE 16 HA ILE 16 37.486 16.316 -3.240 132 HB ILE 16 HB ILE 16 40.083 17.288 -1.987 133 HG12 ILE 16 HG12 ILE 16 37.869 17.464 -0.619 134 HG13 ILE 16 HG11 ILE 16 38.861 18.921 -0.791 135 HG21 ILE 16 HG21 ILE 16 38.319 18.440 -4.189 136 HG22 ILE 16 HG22 ILE 16 40.037 17.995 -4.290 137 HG23 ILE 16 HG23 ILE 16 39.542 19.402 -3.325 138 HD11 ILE 16 HD1 ILE 16 36.353 19.245 -1.148 139 HD12 ILE 16 HD2 ILE 16 36.517 18.306 -2.645 140 HD13 ILE 16 HD3 ILE 16 37.391 19.842 -2.459 141 H ILE 17 HN ILE 17 40.760 15.107 -2.432 142 HA ILE 17 HA ILE 17 41.583 14.947 -5.219 143 HB ILE 17 HB ILE 17 42.696 13.743 -2.640 144 HG12 ILE 17 HG12 ILE 17 44.523 15.347 -3.035 145 HG13 ILE 17 HG11 ILE 17 43.773 15.857 -4.564 146 HG21 ILE 17 HG21 ILE 17 43.640 13.421 -5.518 147 HG22 ILE 17 HG22 ILE 17 43.326 12.145 -4.317 148 HG23 ILE 17 HG23 ILE 17 44.736 13.214 -4.130 149 HD11 ILE 17 HD1 ILE 17 42.232 16.038 -1.953 150 HD12 ILE 17 HD2 ILE 17 41.976 16.935 -3.468 151 HD13 ILE 17 HD3 ILE 17 43.367 17.320 -2.433 152 H GLY 18 HN GLY 18 40.396 12.664 -2.748 153 HA2 GLY 18 HA1 GLY 18 40.345 10.420 -4.625 154 HA3 GLY 18 HA2 GLY 18 39.698 10.451 -2.970 155 H GLY 19 HN GLY 19 38.006 12.664 -3.127 156 HA2 GLY 19 HA1 GLY 19 35.649 11.481 -4.188 157 HA3 GLY 19 HA2 GLY 19 35.841 13.191 -3.750 158 H ALA 20 HN ALA 20 37.749 14.073 -5.508 159 HA ALA 20 HA ALA 20 36.187 14.534 -7.858 160 HB1 ALA 20 HB1 ALA 20 38.288 15.496 -8.777 161 HB2 ALA 20 HB2 ALA 20 39.175 14.826 -7.386 162 HB3 ALA 20 HB3 ALA 20 37.930 16.074 -7.133 163 H LEU 21 HN LEU 21 39.027 12.418 -7.290 164 HA LEU 21 HA LEU 21 39.761 10.558 -8.450 165 HB2 LEU 21 HB2 LEU 21 37.211 10.027 -8.083 166 HB3 LEU 21 HB1 LEU 21 37.058 10.368 -9.817 167 HG LEU 21 HG LEU 21 39.111 8.679 -10.042 168 HD11 LEU 21 HD11 LEU 21 38.952 6.853 -8.320 169 HD12 LEU 21 HD12 LEU 21 37.884 7.896 -7.356 170 HD13 LEU 21 HD13 LEU 21 39.569 8.380 -7.653 171 HD21 LEU 21 HD21 LEU 21 36.291 7.732 -9.355 172 HD22 LEU 21 HD22 LEU 21 37.511 6.794 -10.250 173 HD23 LEU 21 HD23 LEU 21 36.842 8.285 -10.954 174 H ASP 22 HN ASP 22 39.023 13.432 -9.820 175 HA ASP 22 HA ASP 22 39.423 12.674 -12.654 176 HB2 ASP 22 HB2 ASP 22 39.281 15.394 -11.290 177 HB3 ASP 22 HB1 ASP 22 39.292 15.108 -13.049 178 H HIS 23 HN HIS 23 41.511 11.855 -10.861 179 HA HIS 23 HA HIS 23 43.820 11.947 -10.671 180 HB2 HIS 23 HB2 HIS 23 43.540 11.687 -13.175 181 HB3 HIS 23 HB1 HIS 23 43.713 13.454 -13.314 182 HD1 HIS 23 HD1 HIS 23 45.775 12.599 -10.542 183 HD2 HIS 23 HD2 HIS 23 46.190 12.080 -14.693 184 HE1 HIS 23 HE1 HIS 23 48.267 12.303 -11.027 185 H LEU 24 HN LEU 24 42.104 14.249 -9.722 186 HA LEU 24 HA LEU 24 43.697 16.650 -10.095 187 HB2 LEU 24 HB2 LEU 24 41.173 16.333 -9.373 188 HB3 LEU 24 HB1 LEU 24 41.843 16.210 -7.732 189 HG LEU 24 HG LEU 24 42.243 18.530 -9.680 190 HD11 LEU 24 HD11 LEU 24 40.710 18.298 -7.051 191 HD12 LEU 24 HD12 LEU 24 39.988 18.425 -8.673 192 HD13 LEU 24 HD13 LEU 24 40.913 19.789 -8.000 193 HD21 LEU 24 HD21 LEU 24 43.391 17.911 -6.928 194 HD22 LEU 24 HD22 LEU 24 43.231 19.587 -7.507 195 HD23 LEU 24 HD23 LEU 24 44.246 18.433 -8.399 Start of MODEL 23 1 H1 GLY 1 HT1 GLY 1 56.747 11.413 -1.560 2 H2 GLY 1 HT2 GLY 1 57.323 12.475 -2.755 3 H3 GLY 1 HT3 GLY 1 58.400 11.453 -1.929 4 HA2 GLY 1 HA1 GLY 1 56.735 10.956 -4.189 5 HA3 GLY 1 HA2 GLY 1 58.214 10.135 -3.651 6 H LYS 2 HN LYS 2 57.627 8.036 -3.767 7 HA LYS 2 HA LYS 2 55.052 7.019 -3.073 8 HB2 LYS 2 HB2 LYS 2 56.198 4.815 -2.968 9 HB3 LYS 2 HB1 LYS 2 56.654 5.741 -4.418 10 HG2 LYS 2 HG2 LYS 2 58.686 6.570 -3.160 11 HG3 LYS 2 HG1 LYS 2 58.262 5.449 -1.845 12 HD2 LYS 2 HD2 LYS 2 58.322 3.561 -3.513 13 HD3 LYS 2 HD1 LYS 2 58.912 4.716 -4.732 14 HE2 LYS 2 HE2 LYS 2 60.829 3.572 -3.747 15 HE3 LYS 2 HE1 LYS 2 60.833 5.267 -3.204 16 HZ1 LYS 2 HZ1 LYS 2 61.230 3.815 -1.345 17 HZ2 LYS 2 HZ2 LYS 2 59.828 2.914 -1.678 18 HZ3 LYS 2 HZ3 LYS 2 59.701 4.528 -1.163 19 H GLY 3 HN GLY 3 55.291 4.986 -1.316 20 HA2 GLY 3 HA1 GLY 3 56.093 4.597 1.049 21 HA3 GLY 3 HA2 GLY 3 55.944 6.389 1.344 22 H ARG 4 HN ARG 4 54.460 7.385 0.498 23 HA ARG 4 HA ARG 4 53.589 7.093 2.743 24 HB2 ARG 4 HB2 ARG 4 52.169 8.823 0.662 25 HB3 ARG 4 HB1 ARG 4 51.917 8.976 2.420 26 HG2 ARG 4 HG2 ARG 4 54.227 9.538 2.795 27 HG3 ARG 4 HG1 ARG 4 54.674 9.092 1.130 28 HD2 ARG 4 HD2 ARG 4 52.750 11.347 1.846 29 HD3 ARG 4 HD1 ARG 4 54.477 11.578 1.477 30 HE ARG 4 HE ARG 4 53.200 10.098 -0.643 31 HH11 ARG 4 HH11 ARG 4 53.086 13.188 0.861 32 HH12 ARG 4 HH12 ARG 4 52.931 14.059 -0.628 33 HH21 ARG 4 HH21 ARG 4 53.165 11.226 -2.616 34 HH22 ARG 4 HH22 ARG 4 52.977 12.949 -2.598 35 H TRP 5 HN TRP 5 52.588 5.445 0.216 36 HA TRP 5 HA TRP 5 49.849 5.017 0.084 37 HB2 TRP 5 HB2 TRP 5 51.558 3.714 -1.174 38 HB3 TRP 5 HB1 TRP 5 51.918 2.796 0.308 39 HD1 TRP 5 HD1 TRP 5 50.237 0.953 1.049 40 HE1 TRP 5 HE1 TRP 5 48.140 -0.143 -0.028 41 HE3 TRP 5 HE3 TRP 5 49.463 4.273 -2.770 42 HZ2 TRP 5 HZ2 TRP 5 46.386 0.377 -2.252 43 HZ3 TRP 5 HZ3 TRP 5 47.572 3.954 -4.357 44 HH2 TRP 5 HH2 TRP 5 46.034 2.010 -4.102 45 H LEU 6 HN LEU 6 51.897 4.499 2.827 46 HA LEU 6 HA LEU 6 49.719 3.040 4.295 47 HB2 LEU 6 HB2 LEU 6 52.108 2.092 4.145 48 HB3 LEU 6 HB1 LEU 6 52.596 3.453 5.177 49 HG LEU 6 HG LEU 6 50.588 2.631 6.730 50 HD11 LEU 6 HD11 LEU 6 51.273 0.124 5.123 51 HD12 LEU 6 HD12 LEU 6 49.682 0.913 5.232 52 HD13 LEU 6 HD13 LEU 6 50.383 0.125 6.662 53 HD21 LEU 6 HD21 LEU 6 53.242 1.146 6.476 54 HD22 LEU 6 HD22 LEU 6 52.171 1.078 7.898 55 HD23 LEU 6 HD23 LEU 6 52.935 2.618 7.431 56 H GLU 7 HN GLU 7 51.603 6.034 4.105 57 HA GLU 7 HA GLU 7 50.603 6.925 6.770 58 HB2 GLU 7 HB2 GLU 7 52.960 7.391 5.797 59 HB3 GLU 7 HB1 GLU 7 52.160 8.570 4.737 60 HG2 GLU 7 HG2 GLU 7 51.322 9.813 6.665 61 HG3 GLU 7 HG1 GLU 7 51.935 8.572 7.782 62 H ARG 8 HN ARG 8 49.355 6.613 3.746 63 HA ARG 8 HA ARG 8 48.231 9.020 2.945 64 HB2 ARG 8 HB2 ARG 8 46.277 7.650 2.158 65 HB3 ARG 8 HB1 ARG 8 47.859 6.964 1.714 66 HG2 ARG 8 HG2 ARG 8 47.748 5.458 3.693 67 HG3 ARG 8 HG1 ARG 8 46.145 6.120 4.094 68 HD2 ARG 8 HD2 ARG 8 45.228 5.309 1.981 69 HD3 ARG 8 HD1 ARG 8 46.839 4.763 1.453 70 HE ARG 8 HE ARG 8 46.391 2.793 2.656 71 HH11 ARG 8 HH11 ARG 8 43.588 2.961 3.087 72 HH12 ARG 8 HH12 ARG 8 43.404 3.149 4.798 73 HH21 ARG 8 HH21 ARG 8 46.691 4.130 5.312 74 HH22 ARG 8 HH22 ARG 8 45.161 3.810 6.059 75 H ILE 9 HN ILE 9 46.373 10.209 3.379 76 HA ILE 9 HA ILE 9 45.560 10.183 6.205 77 HB ILE 9 HB ILE 9 44.364 11.871 3.964 78 HG12 ILE 9 HG12 ILE 9 46.909 12.317 5.594 79 HG13 ILE 9 HG11 ILE 9 46.804 12.087 3.834 80 HG21 ILE 9 HG21 ILE 9 44.834 12.550 6.896 81 HG22 ILE 9 HG22 ILE 9 43.345 11.760 6.328 82 HG23 ILE 9 HG23 ILE 9 43.774 13.378 5.729 83 HD11 ILE 9 HD1 ILE 9 45.236 14.167 3.851 84 HD12 ILE 9 HD2 ILE 9 46.976 14.442 4.102 85 HD13 ILE 9 HD3 ILE 9 45.867 14.453 5.492 86 H GLY 10 HN GLY 10 43.684 10.180 3.130 87 HA2 GLY 10 HA1 GLY 10 41.873 8.846 2.527 88 HA3 GLY 10 HA2 GLY 10 42.071 7.914 4.021 89 H LYS 11 HN LYS 11 42.022 10.801 5.342 90 HA LYS 11 HA LYS 11 39.229 10.594 6.091 91 HB2 LYS 11 HB2 LYS 11 41.276 11.543 7.423 92 HB3 LYS 11 HB1 LYS 11 40.933 13.064 6.566 93 HG2 LYS 11 HG2 LYS 11 38.526 12.853 7.396 94 HG3 LYS 11 HG1 LYS 11 39.070 11.506 8.414 95 HD2 LYS 11 HD2 LYS 11 40.288 14.303 8.480 96 HD3 LYS 11 HD1 LYS 11 39.025 13.741 9.597 97 HE2 LYS 11 HE2 LYS 11 41.004 13.341 10.818 98 HE3 LYS 11 HE1 LYS 11 40.695 11.751 10.082 99 HZ1 LYS 11 HZ1 LYS 11 42.675 11.904 9.129 100 HZ2 LYS 11 HZ2 LYS 11 42.909 13.474 9.735 101 HZ3 LYS 11 HZ3 LYS 11 42.146 13.244 8.235 102 H ALA 12 HN ALA 12 40.406 11.436 3.209 103 HA ALA 12 HA ALA 12 39.402 12.493 1.423 104 HB1 ALA 12 HB1 ALA 12 37.265 13.749 3.151 105 HB2 ALA 12 HB2 ALA 12 37.238 11.996 2.855 106 HB3 ALA 12 HB3 ALA 12 37.161 13.130 1.486 107 H GLY 13 HN GLY 13 40.205 14.081 4.394 108 HA2 GLY 13 HA1 GLY 13 40.745 16.317 4.861 109 HA3 GLY 13 HA2 GLY 13 41.820 16.049 3.474 110 H PHE 14 HN PHE 14 38.383 16.829 4.172 111 HA PHE 14 HA PHE 14 36.950 18.306 3.103 112 HB2 PHE 14 HB2 PHE 14 39.518 19.800 2.420 113 HB3 PHE 14 HB1 PHE 14 37.868 20.467 2.403 114 HD1 PHE 14 HD1 PHE 14 36.609 20.791 4.510 115 HD2 PHE 14 HD2 PHE 14 40.689 19.385 4.516 116 HE1 PHE 14 HE1 PHE 14 36.781 21.300 6.944 117 HE2 PHE 14 HE2 PHE 14 40.862 19.895 6.949 118 HZ PHE 14 HZ PHE 14 38.925 20.902 8.150 119 H ILE 15 HN ILE 15 37.879 16.006 1.710 120 HA ILE 15 HA ILE 15 37.741 15.086 -0.392 121 HB ILE 15 HB ILE 15 36.801 17.787 -1.433 122 HG12 ILE 15 HG12 ILE 15 35.430 17.392 0.500 123 HG13 ILE 15 HG11 ILE 15 34.459 16.898 -0.898 124 HG21 ILE 15 HG21 ILE 15 36.568 14.910 -2.375 125 HG22 ILE 15 HG22 ILE 15 37.091 16.351 -3.268 126 HG23 ILE 15 HG23 ILE 15 35.375 16.127 -2.880 127 HD11 ILE 15 HD1 ILE 15 35.327 14.506 -0.457 128 HD12 ILE 15 HD2 ILE 15 34.180 15.166 0.726 129 HD13 ILE 15 HD3 ILE 15 35.918 15.128 1.101 130 H ILE 16 HN ILE 16 40.092 14.971 -0.316 131 HA ILE 16 HA ILE 16 41.239 16.492 -2.608 132 HB ILE 16 HB ILE 16 41.835 17.866 -0.607 133 HG12 ILE 16 HG12 ILE 16 44.310 17.861 -0.947 134 HG13 ILE 16 HG11 ILE 16 44.181 16.324 -1.826 135 HG21 ILE 16 HG21 ILE 16 41.849 15.750 0.926 136 HG22 ILE 16 HG22 ILE 16 43.046 17.025 1.238 137 HG23 ILE 16 HG23 ILE 16 43.528 15.544 0.380 138 HD11 ILE 16 HD1 ILE 16 43.142 17.320 -3.686 139 HD12 ILE 16 HD2 ILE 16 44.224 18.629 -3.159 140 HD13 ILE 16 HD3 ILE 16 42.498 18.680 -2.732 141 H ILE 17 HN ILE 17 42.023 14.166 0.035 142 HA ILE 17 HA ILE 17 43.847 12.708 -1.723 143 HB ILE 17 HB ILE 17 44.220 12.644 0.710 144 HG12 ILE 17 HG12 ILE 17 44.448 10.241 1.044 145 HG13 ILE 17 HG11 ILE 17 43.221 9.899 -0.193 146 HG21 ILE 17 HG21 ILE 17 41.812 12.919 1.340 147 HG22 ILE 17 HG22 ILE 17 42.609 11.598 2.228 148 HG23 ILE 17 HG23 ILE 17 41.524 11.228 0.866 149 HD11 ILE 17 HD1 ILE 17 45.715 11.480 -0.908 150 HD12 ILE 17 HD2 ILE 17 44.658 10.516 -1.969 151 HD13 ILE 17 HD3 ILE 17 45.764 9.702 -0.838 152 H GLY 18 HN GLY 18 40.480 12.555 -0.715 153 HA2 GLY 18 HA1 GLY 18 40.016 9.979 -2.091 154 HA3 GLY 18 HA2 GLY 18 38.822 10.968 -1.224 155 H GLY 19 HN GLY 19 39.041 13.425 -2.412 156 HA2 GLY 19 HA1 GLY 19 37.481 13.091 -4.759 157 HA3 GLY 19 HA2 GLY 19 38.294 14.586 -4.261 158 H ALA 20 HN ALA 20 40.984 13.699 -4.348 159 HA ALA 20 HA ALA 20 41.694 14.261 -6.991 160 HB1 ALA 20 HB1 ALA 20 43.106 12.586 -4.895 161 HB2 ALA 20 HB2 ALA 20 43.365 14.302 -5.285 162 HB3 ALA 20 HB3 ALA 20 43.858 13.044 -6.441 163 H LEU 21 HN LEU 21 41.844 10.959 -5.568 164 HA LEU 21 HA LEU 21 41.634 8.891 -6.589 165 HB2 LEU 21 HB2 LEU 21 39.293 9.887 -6.891 166 HB3 LEU 21 HB1 LEU 21 39.783 10.290 -8.550 167 HG LEU 21 HG LEU 21 40.484 7.735 -8.693 168 HD11 LEU 21 HD11 LEU 21 40.168 7.105 -6.359 169 HD12 LEU 21 HD12 LEU 21 38.905 6.307 -7.317 170 HD13 LEU 21 HD13 LEU 21 38.511 7.751 -6.359 171 HD21 LEU 21 HD21 LEU 21 38.171 7.150 -9.416 172 HD22 LEU 21 HD22 LEU 21 38.667 8.752 -10.014 173 HD23 LEU 21 HD23 LEU 21 37.563 8.624 -8.623 174 H ASP 22 HN ASP 22 43.920 9.259 -7.259 175 HA ASP 22 HA ASP 22 44.177 8.637 -10.095 176 HB2 ASP 22 HB2 ASP 22 43.956 11.146 -10.139 177 HB3 ASP 22 HB1 ASP 22 45.426 11.242 -9.140 178 H HIS 23 HN HIS 23 44.808 7.279 -7.718 179 HA HIS 23 HA HIS 23 46.574 6.186 -6.681 180 HB2 HIS 23 HB2 HIS 23 48.077 6.898 -9.229 181 HB3 HIS 23 HB1 HIS 23 48.455 5.577 -8.099 182 HD1 HIS 23 HD1 HIS 23 45.181 6.704 -9.796 183 HD2 HIS 23 HD2 HIS 23 47.516 3.251 -9.232 184 HE1 HIS 23 HE1 HIS 23 43.950 4.763 -10.912 185 H LEU 24 HN LEU 24 46.279 8.718 -5.734 186 HA LEU 24 HA LEU 24 48.952 9.276 -4.766 187 HB2 LEU 24 HB2 LEU 24 48.952 10.367 -7.072 188 HB3 LEU 24 HB1 LEU 24 47.679 11.448 -6.466 189 HG LEU 24 HG LEU 24 49.358 11.936 -4.488 190 HD11 LEU 24 HD11 LEU 24 51.204 10.762 -6.620 191 HD12 LEU 24 HD12 LEU 24 51.049 10.253 -4.921 192 HD13 LEU 24 HD13 LEU 24 51.763 11.830 -5.315 193 HD21 LEU 24 HD21 LEU 24 48.691 13.584 -6.213 194 HD22 LEU 24 HD22 LEU 24 49.918 12.925 -7.321 195 HD23 LEU 24 HD23 LEU 24 50.420 13.738 -5.820 Start of MODEL 24 1 H1 GLY 1 HT1 GLY 1 62.882 1.527 3.005 2 H2 GLY 1 HT2 GLY 1 61.963 0.327 3.781 3 H3 GLY 1 HT3 GLY 1 62.161 1.853 4.504 4 HA2 GLY 1 HA1 GLY 1 61.101 2.728 2.369 5 HA3 GLY 1 HA2 GLY 1 60.519 1.058 2.226 6 H LYS 2 HN LYS 2 61.059 2.103 5.446 7 HA LYS 2 HA LYS 2 58.378 1.701 6.253 8 HB2 LYS 2 HB2 LYS 2 60.570 3.404 7.501 9 HB3 LYS 2 HB1 LYS 2 59.041 2.983 8.310 10 HG2 LYS 2 HG2 LYS 2 59.554 0.600 8.149 11 HG3 LYS 2 HG1 LYS 2 61.018 0.946 7.197 12 HD2 LYS 2 HD2 LYS 2 62.041 2.104 9.081 13 HD3 LYS 2 HD1 LYS 2 60.542 1.962 10.033 14 HE2 LYS 2 HE2 LYS 2 62.352 0.240 10.573 15 HE3 LYS 2 HE1 LYS 2 60.753 -0.430 10.176 16 HZ1 LYS 2 HZ1 LYS 2 62.900 -1.346 9.037 17 HZ2 LYS 2 HZ2 LYS 2 62.702 -0.006 8.011 18 HZ3 LYS 2 HZ3 LYS 2 61.469 -1.166 8.146 19 H GLY 3 HN GLY 3 57.447 3.766 7.702 20 HA2 GLY 3 HA1 GLY 3 56.775 6.147 7.479 21 HA3 GLY 3 HA2 GLY 3 57.016 6.037 5.674 22 H ARG 4 HN ARG 4 56.469 4.388 4.739 23 HA ARG 4 HA ARG 4 54.591 5.835 4.231 24 HB2 ARG 4 HB2 ARG 4 54.637 3.061 2.943 25 HB3 ARG 4 HB1 ARG 4 54.009 4.561 2.220 26 HG2 ARG 4 HG2 ARG 4 56.910 4.029 3.029 27 HG3 ARG 4 HG1 ARG 4 56.280 4.072 1.370 28 HD2 ARG 4 HD2 ARG 4 55.449 6.498 2.035 29 HD3 ARG 4 HD1 ARG 4 56.690 6.361 3.306 30 HE ARG 4 HE ARG 4 57.872 5.599 0.826 31 HH11 ARG 4 HH11 ARG 4 59.717 7.252 1.521 32 HH12 ARG 4 HH12 ARG 4 59.293 8.875 1.090 33 HH21 ARG 4 HH21 ARG 4 55.927 8.162 0.656 34 HH22 ARG 4 HH22 ARG 4 57.147 9.390 0.601 35 H TRP 5 HN TRP 5 54.492 3.464 6.346 36 HA TRP 5 HA TRP 5 52.140 1.990 6.358 37 HB2 TRP 5 HB2 TRP 5 53.750 1.942 8.207 38 HB3 TRP 5 HB1 TRP 5 53.275 3.586 8.691 39 HD1 TRP 5 HD1 TRP 5 51.263 0.352 7.900 40 HE1 TRP 5 HE1 TRP 5 49.504 -0.018 9.781 41 HE3 TRP 5 HE3 TRP 5 52.373 4.388 10.843 42 HZ2 TRP 5 HZ2 TRP 5 48.713 1.287 12.223 43 HZ3 TRP 5 HZ3 TRP 5 51.105 4.807 12.944 44 HH2 TRP 5 HH2 TRP 5 49.278 3.263 13.637 45 H LEU 6 HN LEU 6 52.421 5.435 6.374 46 HA LEU 6 HA LEU 6 49.487 5.757 6.986 47 HB2 LEU 6 HB2 LEU 6 51.611 7.932 6.912 48 HB3 LEU 6 HB1 LEU 6 49.971 8.019 7.596 49 HG LEU 6 HG LEU 6 52.216 6.224 8.629 50 HD11 LEU 6 HD11 LEU 6 52.500 8.722 8.981 51 HD12 LEU 6 HD12 LEU 6 52.380 7.770 10.480 52 HD13 LEU 6 HD13 LEU 6 50.976 8.700 9.901 53 HD21 LEU 6 HD21 LEU 6 49.327 6.701 9.470 54 HD22 LEU 6 HD22 LEU 6 50.541 6.088 10.617 55 HD23 LEU 6 HD23 LEU 6 50.148 5.153 9.157 56 H GLU 7 HN GLU 7 52.034 6.109 4.557 57 HA GLU 7 HA GLU 7 50.137 7.613 2.772 58 HB2 GLU 7 HB2 GLU 7 52.638 8.279 3.237 59 HB3 GLU 7 HB1 GLU 7 53.032 6.950 2.126 60 HG2 GLU 7 HG2 GLU 7 51.617 7.992 0.374 61 HG3 GLU 7 HG1 GLU 7 51.196 9.311 1.492 62 H ARG 8 HN ARG 8 50.356 4.580 3.611 63 HA ARG 8 HA ARG 8 50.972 3.215 1.124 64 HB2 ARG 8 HB2 ARG 8 51.069 2.157 3.394 65 HB3 ARG 8 HB1 ARG 8 49.293 2.242 3.467 66 HG2 ARG 8 HG2 ARG 8 49.082 0.813 1.510 67 HG3 ARG 8 HG1 ARG 8 50.842 0.849 1.241 68 HD2 ARG 8 HD2 ARG 8 49.969 -1.247 2.403 69 HD3 ARG 8 HD1 ARG 8 51.262 -0.385 3.270 70 HE ARG 8 HE ARG 8 49.712 -0.043 5.006 71 HH11 ARG 8 HH11 ARG 8 47.649 0.717 5.692 72 HH12 ARG 8 HH12 ARG 8 46.262 0.283 4.749 73 HH21 ARG 8 HH21 ARG 8 48.118 -1.123 2.180 74 HH22 ARG 8 HH22 ARG 8 46.528 -0.757 2.760 75 H ILE 9 HN ILE 9 47.905 4.039 2.810 76 HA ILE 9 HA ILE 9 46.197 2.967 0.779 77 HB ILE 9 HB ILE 9 44.442 4.461 1.768 78 HG12 ILE 9 HG12 ILE 9 46.797 5.464 3.439 79 HG13 ILE 9 HG11 ILE 9 45.890 6.414 2.240 80 HG21 ILE 9 HG21 ILE 9 46.135 3.185 3.955 81 HG22 ILE 9 HG22 ILE 9 45.203 2.223 2.783 82 HG23 ILE 9 HG23 ILE 9 44.364 3.337 3.886 83 HD11 ILE 9 HD1 ILE 9 44.912 7.034 4.308 84 HD12 ILE 9 HD2 ILE 9 44.950 5.369 4.930 85 HD13 ILE 9 HD3 ILE 9 43.784 5.820 3.661 86 H GLY 10 HN GLY 10 48.065 5.900 0.961 87 HA2 GLY 10 HA1 GLY 10 48.469 7.455 -0.722 88 HA3 GLY 10 HA2 GLY 10 47.396 6.541 -1.800 89 H LYS 11 HN LYS 11 45.135 6.608 0.085 90 HA LYS 11 HA LYS 11 44.036 9.159 -0.781 91 HB2 LYS 11 HB2 LYS 11 42.995 6.975 1.063 92 HB3 LYS 11 HB1 LYS 11 42.053 8.411 0.590 93 HG2 LYS 11 HG2 LYS 11 42.401 7.785 -1.819 94 HG3 LYS 11 HG1 LYS 11 43.211 6.295 -1.278 95 HD2 LYS 11 HD2 LYS 11 41.199 5.506 -0.191 96 HD3 LYS 11 HD1 LYS 11 40.384 7.069 -0.446 97 HE2 LYS 11 HE2 LYS 11 40.387 6.744 -2.858 98 HE3 LYS 11 HE1 LYS 11 41.375 5.271 -2.700 99 HZ1 LYS 11 HZ1 LYS 11 39.579 4.068 -2.237 100 HZ2 LYS 11 HZ2 LYS 11 38.639 5.400 -2.718 101 HZ3 LYS 11 HZ3 LYS 11 39.018 5.173 -1.079 102 H ALA 12 HN ALA 12 44.699 11.004 0.120 103 HA ALA 12 HA ALA 12 45.614 11.085 2.905 104 HB1 ALA 12 HB1 ALA 12 45.069 13.297 0.895 105 HB2 ALA 12 HB2 ALA 12 46.635 12.499 1.181 106 HB3 ALA 12 HB3 ALA 12 45.895 13.496 2.458 107 H GLY 13 HN GLY 13 42.656 10.608 1.774 108 HA2 GLY 13 HA1 GLY 13 40.508 11.207 2.433 109 HA3 GLY 13 HA2 GLY 13 41.225 11.204 4.055 110 H PHE 14 HN PHE 14 42.191 13.448 1.519 111 HA PHE 14 HA PHE 14 40.465 15.607 2.554 112 HB2 PHE 14 HB2 PHE 14 42.372 15.519 4.182 113 HB3 PHE 14 HB1 PHE 14 43.490 15.822 2.832 114 HD1 PHE 14 HD1 PHE 14 43.982 18.063 2.230 115 HD2 PHE 14 HD2 PHE 14 40.362 17.201 4.420 116 HE1 PHE 14 HE1 PHE 14 43.517 20.502 2.421 117 HE2 PHE 14 HE2 PHE 14 39.898 19.642 4.609 118 HZ PHE 14 HZ PHE 14 41.488 21.292 3.633 119 H ILE 15 HN ILE 15 43.711 15.671 1.030 120 HA ILE 15 HA ILE 15 42.524 17.172 -1.243 121 HB ILE 15 HB ILE 15 44.639 17.917 -0.046 122 HG12 ILE 15 HG12 ILE 15 44.950 17.401 -3.042 123 HG13 ILE 15 HG11 ILE 15 43.946 18.688 -2.338 124 HG21 ILE 15 HG21 ILE 15 46.644 16.742 -0.181 125 HG22 ILE 15 HG22 ILE 15 46.210 15.928 -1.698 126 HG23 ILE 15 HG23 ILE 15 45.510 15.374 -0.160 127 HD11 ILE 15 HD1 ILE 15 46.176 19.553 -2.960 128 HD12 ILE 15 HD2 ILE 15 46.944 18.339 -1.910 129 HD13 ILE 15 HD3 ILE 15 45.937 19.622 -1.199 130 H ILE 16 HN ILE 16 41.565 14.675 -1.187 131 HA ILE 16 HA ILE 16 42.758 13.550 -3.675 132 HB ILE 16 HB ILE 16 43.663 12.315 -1.619 133 HG12 ILE 16 HG12 ILE 16 42.825 9.979 -2.639 134 HG13 ILE 16 HG11 ILE 16 42.095 11.014 -3.883 135 HG21 ILE 16 HG21 ILE 16 41.430 12.492 -0.389 136 HG22 ILE 16 HG22 ILE 16 42.208 10.892 -0.353 137 HG23 ILE 16 HG23 ILE 16 40.840 11.189 -1.451 138 HD11 ILE 16 HD1 ILE 16 44.280 11.964 -4.442 139 HD12 ILE 16 HD2 ILE 16 44.405 10.193 -4.466 140 HD13 ILE 16 HD3 ILE 16 45.043 11.108 -3.082 141 H ILE 17 HN ILE 17 40.141 13.462 -1.240 142 HA ILE 17 HA ILE 17 38.242 12.437 -3.257 143 HB ILE 17 HB ILE 17 37.893 11.723 -0.935 144 HG12 ILE 17 HG12 ILE 17 35.560 12.341 -0.630 145 HG13 ILE 17 HG11 ILE 17 35.762 13.809 -1.607 146 HG21 ILE 17 HG21 ILE 17 37.508 14.666 -0.246 147 HG22 ILE 17 HG22 ILE 17 38.994 13.750 0.092 148 HG23 ILE 17 HG23 ILE 17 37.467 13.285 0.872 149 HD11 ILE 17 HD1 ILE 17 36.353 11.075 -2.794 150 HD12 ILE 17 HD2 ILE 17 35.931 12.589 -3.631 151 HD13 ILE 17 HD3 ILE 17 34.688 11.696 -2.726 152 H GLY 18 HN GLY 18 39.093 15.425 -1.559 153 HA2 GLY 18 HA1 GLY 18 37.031 16.976 -3.022 154 HA3 GLY 18 HA2 GLY 18 38.154 17.579 -1.784 155 H GLY 19 HN GLY 19 40.595 16.725 -2.737 156 HA2 GLY 19 HA1 GLY 19 41.237 18.754 -4.606 157 HA3 GLY 19 HA2 GLY 19 42.253 17.352 -4.213 158 H ALA 20 HN ALA 20 40.361 15.326 -5.092 159 HA ALA 20 HA ALA 20 41.048 15.401 -7.938 160 HB1 ALA 20 HB1 ALA 20 39.296 13.456 -6.396 161 HB2 ALA 20 HB2 ALA 20 41.058 13.313 -6.610 162 HB3 ALA 20 HB3 ALA 20 39.978 13.207 -8.020 163 H LEU 21 HN LEU 21 39.406 17.606 -7.228 164 HA LEU 21 HA LEU 21 36.642 17.085 -7.874 165 HB2 LEU 21 HB2 LEU 21 37.242 19.090 -6.657 166 HB3 LEU 21 HB1 LEU 21 38.341 19.611 -7.950 167 HG LEU 21 HG LEU 21 36.482 19.991 -9.473 168 HD11 LEU 21 HD11 LEU 21 34.861 18.619 -7.293 169 HD12 LEU 21 HD12 LEU 21 34.944 18.229 -9.028 170 HD13 LEU 21 HD13 LEU 21 34.088 19.690 -8.487 171 HD21 LEU 21 HD21 LEU 21 35.326 21.787 -8.285 172 HD22 LEU 21 HD22 LEU 21 37.023 21.739 -7.751 173 HD23 LEU 21 HD23 LEU 21 35.744 21.063 -6.715 174 H ASP 22 HN ASP 22 39.373 18.455 -9.769 175 HA ASP 22 HA ASP 22 37.997 18.779 -12.214 176 HB2 ASP 22 HB2 ASP 22 40.892 17.947 -11.776 177 HB3 ASP 22 HB1 ASP 22 40.219 18.621 -13.280 178 H HIS 23 HN HIS 23 39.734 15.916 -10.932 179 HA HIS 23 HA HIS 23 39.555 14.216 -13.143 180 HB2 HIS 23 HB2 HIS 23 39.115 13.517 -10.213 181 HB3 HIS 23 HB1 HIS 23 39.477 12.348 -11.504 182 HD1 HIS 23 HD1 HIS 23 41.158 15.652 -11.828 183 HD2 HIS 23 HD2 HIS 23 42.005 11.942 -10.038 184 HE1 HIS 23 HE1 HIS 23 43.664 15.597 -11.340 185 H LEU 24 HN LEU 24 37.039 15.122 -10.817 186 HA LEU 24 HA LEU 24 34.776 14.619 -10.755 187 HB2 LEU 24 HB2 LEU 24 34.748 16.166 -12.604 188 HB3 LEU 24 HB1 LEU 24 35.294 14.914 -13.738 189 HG LEU 24 HG LEU 24 33.187 13.726 -13.566 190 HD11 LEU 24 HD11 LEU 24 32.601 13.876 -11.259 191 HD12 LEU 24 HD12 LEU 24 31.333 14.797 -12.097 192 HD13 LEU 24 HD13 LEU 24 32.657 15.655 -11.273 193 HD21 LEU 24 HD21 LEU 24 33.228 15.685 -15.075 194 HD22 LEU 24 HD22 LEU 24 32.700 16.734 -13.736 195 HD23 LEU 24 HD23 LEU 24 31.611 15.471 -14.364 Start of MODEL 25 1 H1 GLY 1 HT1 GLY 1 54.915 2.528 -5.432 2 H2 GLY 1 HT2 GLY 1 55.820 3.610 -6.379 3 H3 GLY 1 HT3 GLY 1 54.956 4.173 -5.029 4 HA2 GLY 1 HA1 GLY 1 57.193 2.261 -4.932 5 HA3 GLY 1 HA2 GLY 1 57.337 4.006 -4.643 6 H LYS 2 HN LYS 2 58.106 2.106 -2.750 7 HA LYS 2 HA LYS 2 55.942 1.725 -0.815 8 HB2 LYS 2 HB2 LYS 2 58.909 1.549 -0.195 9 HB3 LYS 2 HB1 LYS 2 57.560 0.628 0.515 10 HG2 LYS 2 HG2 LYS 2 58.628 0.392 -2.333 11 HG3 LYS 2 HG1 LYS 2 58.795 -0.809 -1.032 12 HD2 LYS 2 HD2 LYS 2 56.225 -0.856 -0.935 13 HD3 LYS 2 HD1 LYS 2 56.251 0.061 -2.461 14 HE2 LYS 2 HE2 LYS 2 57.756 -1.765 -3.408 15 HE3 LYS 2 HE1 LYS 2 57.401 -2.709 -1.942 16 HZ1 LYS 2 HZ1 LYS 2 54.997 -2.385 -2.492 17 HZ2 LYS 2 HZ2 LYS 2 55.852 -3.352 -3.598 18 HZ3 LYS 2 HZ3 LYS 2 55.472 -1.742 -3.988 19 H GLY 3 HN GLY 3 56.394 2.443 1.535 20 HA2 GLY 3 HA1 GLY 3 57.582 4.422 2.763 21 HA3 GLY 3 HA2 GLY 3 56.849 5.468 1.461 22 H ARG 4 HN ARG 4 55.103 4.953 0.697 23 HA ARG 4 HA ARG 4 54.423 6.703 2.228 24 HB2 ARG 4 HB2 ARG 4 52.476 5.388 0.278 25 HB3 ARG 4 HB1 ARG 4 52.203 6.979 1.025 26 HG2 ARG 4 HG2 ARG 4 54.384 7.767 0.102 27 HG3 ARG 4 HG1 ARG 4 54.597 6.190 -0.695 28 HD2 ARG 4 HD2 ARG 4 53.648 7.950 -2.222 29 HD3 ARG 4 HD1 ARG 4 52.582 6.536 -2.031 30 HE ARG 4 HE ARG 4 51.957 8.623 -0.106 31 HH11 ARG 4 HH11 ARG 4 50.397 6.718 -2.168 32 HH12 ARG 4 HH12 ARG 4 49.448 7.933 -2.959 33 HH21 ARG 4 HH21 ARG 4 51.257 10.582 -1.641 34 HH22 ARG 4 HH22 ARG 4 49.934 10.120 -2.660 35 H TRP 5 HN TRP 5 53.960 3.596 2.745 36 HA TRP 5 HA TRP 5 51.523 2.927 3.875 37 HB2 TRP 5 HB2 TRP 5 53.534 1.464 3.861 38 HB3 TRP 5 HB1 TRP 5 54.211 2.425 5.198 39 HD1 TRP 5 HD1 TRP 5 53.562 1.704 7.554 40 HE1 TRP 5 HE1 TRP 5 51.803 0.115 8.622 41 HE3 TRP 5 HE3 TRP 5 50.907 0.498 3.347 42 HZ2 TRP 5 HZ2 TRP 5 49.554 -1.454 7.737 43 HZ3 TRP 5 HZ3 TRP 5 48.959 -1.047 3.482 44 HH2 TRP 5 HH2 TRP 5 48.280 -2.023 5.671 45 H LEU 6 HN LEU 6 53.669 5.419 4.969 46 HA LEU 6 HA LEU 6 52.081 5.745 7.505 47 HB2 LEU 6 HB2 LEU 6 54.466 5.375 7.893 48 HB3 LEU 6 HB1 LEU 6 54.884 6.670 6.753 49 HG LEU 6 HG LEU 6 53.850 8.351 8.218 50 HD11 LEU 6 HD11 LEU 6 53.159 7.466 10.595 51 HD12 LEU 6 HD12 LEU 6 52.971 5.895 9.782 52 HD13 LEU 6 HD13 LEU 6 52.000 7.292 9.259 53 HD21 LEU 6 HD21 LEU 6 55.609 6.457 9.836 54 HD22 LEU 6 HD22 LEU 6 55.421 8.209 10.083 55 HD23 LEU 6 HD23 LEU 6 56.215 7.597 8.612 56 H GLU 7 HN GLU 7 52.842 7.161 4.365 57 HA GLU 7 HA GLU 7 52.432 9.907 5.068 58 HB2 GLU 7 HB2 GLU 7 53.243 8.900 2.825 59 HB3 GLU 7 HB1 GLU 7 51.518 8.676 2.448 60 HG2 GLU 7 HG2 GLU 7 52.125 10.806 1.522 61 HG3 GLU 7 HG1 GLU 7 51.199 11.155 3.002 62 H ARG 8 HN ARG 8 50.223 7.222 4.650 63 HA ARG 8 HA ARG 8 47.813 8.644 4.169 64 HB2 ARG 8 HB2 ARG 8 48.178 6.122 4.142 65 HB3 ARG 8 HB1 ARG 8 48.074 6.171 5.918 66 HG2 ARG 8 HG2 ARG 8 45.824 7.143 5.795 67 HG3 ARG 8 HG1 ARG 8 45.927 7.215 4.019 68 HD2 ARG 8 HD2 ARG 8 46.170 4.737 3.949 69 HD3 ARG 8 HD1 ARG 8 46.008 4.685 5.720 70 HE ARG 8 HE ARG 8 43.768 6.081 4.558 71 HH11 ARG 8 HH11 ARG 8 43.708 3.779 2.757 72 HH12 ARG 8 HH12 ARG 8 42.854 2.577 3.665 73 HH21 ARG 8 HH21 ARG 8 43.294 4.184 6.706 74 HH22 ARG 8 HH22 ARG 8 42.619 2.806 5.902 75 H ILE 9 HN ILE 9 46.105 9.275 5.564 76 HA ILE 9 HA ILE 9 46.638 9.496 8.458 77 HB ILE 9 HB ILE 9 46.256 12.013 8.424 78 HG12 ILE 9 HG12 ILE 9 46.939 11.651 5.468 79 HG13 ILE 9 HG11 ILE 9 45.335 12.087 6.101 80 HG21 ILE 9 HG21 ILE 9 48.540 10.845 8.644 81 HG22 ILE 9 HG22 ILE 9 48.572 12.534 8.091 82 HG23 ILE 9 HG23 ILE 9 48.781 11.211 6.919 83 HD11 ILE 9 HD1 ILE 9 46.553 14.070 7.272 84 HD12 ILE 9 HD2 ILE 9 46.308 14.171 5.512 85 HD13 ILE 9 HD3 ILE 9 47.899 13.713 6.162 86 H GLY 10 HN GLY 10 44.677 8.754 6.031 87 HA2 GLY 10 HA1 GLY 10 42.379 8.720 5.716 88 HA3 GLY 10 HA2 GLY 10 42.320 8.578 7.484 89 H LYS 11 HN LYS 11 43.651 11.400 5.858 90 HA LYS 11 HA LYS 11 41.157 12.925 6.004 91 HB2 LYS 11 HB2 LYS 11 42.019 12.760 8.428 92 HB3 LYS 11 HB1 LYS 11 43.373 13.787 7.899 93 HG2 LYS 11 HG2 LYS 11 41.678 15.461 7.050 94 HG3 LYS 11 HG1 LYS 11 40.402 14.464 7.786 95 HD2 LYS 11 HD2 LYS 11 41.414 14.737 10.002 96 HD3 LYS 11 HD1 LYS 11 42.773 15.644 9.297 97 HE2 LYS 11 HE2 LYS 11 41.120 17.201 10.256 98 HE3 LYS 11 HE1 LYS 11 41.176 17.375 8.485 99 HZ1 LYS 11 HZ1 LYS 11 39.033 16.874 8.405 100 HZ2 LYS 11 HZ2 LYS 11 38.978 16.727 10.097 101 HZ3 LYS 11 HZ3 LYS 11 39.320 15.370 9.134 102 H ALA 12 HN ALA 12 42.525 12.526 3.795 103 HA ALA 12 HA ALA 12 44.633 14.532 3.388 104 HB1 ALA 12 HB1 ALA 12 44.492 12.338 2.168 105 HB2 ALA 12 HB2 ALA 12 44.612 13.757 1.098 106 HB3 ALA 12 HB3 ALA 12 43.040 12.952 1.339 107 H GLY 13 HN GLY 13 41.393 14.736 3.857 108 HA2 GLY 13 HA1 GLY 13 40.505 17.079 3.695 109 HA3 GLY 13 HA2 GLY 13 41.080 17.101 2.013 110 H PHE 14 HN PHE 14 39.295 14.781 4.076 111 HA PHE 14 HA PHE 14 37.294 13.684 3.733 112 HB2 PHE 14 HB2 PHE 14 36.479 16.092 3.427 113 HB3 PHE 14 HB1 PHE 14 36.598 15.814 1.674 114 HD1 PHE 14 HD1 PHE 14 34.898 14.603 0.505 115 HD2 PHE 14 HD2 PHE 14 35.017 14.521 4.820 116 HE1 PHE 14 HE1 PHE 14 32.688 13.457 0.544 117 HE2 PHE 14 HE2 PHE 14 32.805 13.376 4.857 118 HZ PHE 14 HZ PHE 14 31.676 12.779 2.718 119 H ILE 15 HN ILE 15 39.716 13.157 2.079 120 HA ILE 15 HA ILE 15 40.282 11.811 0.306 121 HB ILE 15 HB ILE 15 37.344 11.043 0.044 122 HG12 ILE 15 HG12 ILE 15 39.420 9.961 2.008 123 HG13 ILE 15 HG11 ILE 15 37.992 10.928 2.441 124 HG21 ILE 15 HG21 ILE 15 39.842 9.330 -0.273 125 HG22 ILE 15 HG22 ILE 15 39.159 10.271 -1.618 126 HG23 ILE 15 HG23 ILE 15 38.191 8.994 -0.851 127 HD11 ILE 15 HD1 ILE 15 36.613 9.082 1.230 128 HD12 ILE 15 HD2 ILE 15 37.310 8.684 2.818 129 HD13 ILE 15 HD3 ILE 15 38.097 8.102 1.334 130 H ILE 16 HN ILE 16 40.372 14.183 -0.404 131 HA ILE 16 HA ILE 16 38.901 14.407 -3.024 132 HB ILE 16 HB ILE 16 39.735 16.589 -1.072 133 HG12 ILE 16 HG12 ILE 16 37.608 15.139 -0.598 134 HG13 ILE 16 HG11 ILE 16 37.460 16.905 -0.528 135 HG21 ILE 16 HG21 ILE 16 38.472 18.088 -2.715 136 HG22 ILE 16 HG22 ILE 16 38.498 16.720 -3.853 137 HG23 ILE 16 HG23 ILE 16 40.024 17.449 -3.300 138 HD11 ILE 16 HD1 ILE 16 36.390 16.993 -2.686 139 HD12 ILE 16 HD2 ILE 16 35.594 15.689 -1.779 140 HD13 ILE 16 HD3 ILE 16 36.786 15.296 -3.033 141 H ILE 17 HN ILE 17 41.748 15.400 -1.086 142 HA ILE 17 HA ILE 17 43.294 16.210 -3.394 143 HB ILE 17 HB ILE 17 44.048 15.455 -0.532 144 HG12 ILE 17 HG12 ILE 17 44.527 17.844 -0.332 145 HG13 ILE 17 HG11 ILE 17 44.244 18.086 -2.070 146 HG21 ILE 17 HG21 ILE 17 45.991 14.807 -1.791 147 HG22 ILE 17 HG22 ILE 17 46.339 16.442 -1.180 148 HG23 ILE 17 HG23 ILE 17 45.843 16.211 -2.874 149 HD11 ILE 17 HD1 ILE 17 42.317 18.705 -0.443 150 HD12 ILE 17 HD2 ILE 17 42.081 16.952 -0.261 151 HD13 ILE 17 HD3 ILE 17 41.907 17.714 -1.861 152 H GLY 18 HN GLY 18 42.857 13.236 -1.529 153 HA2 GLY 18 HA1 GLY 18 44.762 11.746 -3.246 154 HA3 GLY 18 HA2 GLY 18 43.866 11.125 -1.843 155 H GLY 19 HN GLY 19 41.277 12.005 -2.532 156 HA2 GLY 19 HA1 GLY 19 40.421 9.845 -4.188 157 HA3 GLY 19 HA2 GLY 19 39.444 11.253 -3.727 158 H ALA 20 HN ALA 20 41.293 13.192 -4.930 159 HA ALA 20 HA ALA 20 40.084 13.402 -7.485 160 HB1 ALA 20 HB1 ALA 20 41.059 15.336 -6.472 161 HB2 ALA 20 HB2 ALA 20 41.982 15.014 -7.958 162 HB3 ALA 20 HB3 ALA 20 42.657 14.561 -6.374 163 H LEU 21 HN LEU 21 43.174 11.926 -6.489 164 HA LEU 21 HA LEU 21 44.689 10.644 -7.700 165 HB2 LEU 21 HB2 LEU 21 42.181 9.860 -9.235 166 HB3 LEU 21 HB1 LEU 21 43.705 8.947 -9.188 167 HG LEU 21 HG LEU 21 42.123 9.626 -6.671 168 HD11 LEU 21 HD11 LEU 21 41.188 7.338 -6.796 169 HD12 LEU 21 HD12 LEU 21 41.990 7.092 -8.367 170 HD13 LEU 21 HD13 LEU 21 40.694 8.303 -8.209 171 HD21 LEU 21 HD21 LEU 21 43.392 7.503 -5.894 172 HD22 LEU 21 HD22 LEU 21 44.360 8.975 -6.112 173 HD23 LEU 21 HD23 LEU 21 44.389 7.702 -7.353 174 H ASP 22 HN ASP 22 45.462 12.816 -8.488 175 HA ASP 22 HA ASP 22 46.185 14.177 -10.225 176 HB2 ASP 22 HB2 ASP 22 45.926 11.602 -11.829 177 HB3 ASP 22 HB1 ASP 22 46.928 13.014 -12.246 178 H HIS 23 HN HIS 23 43.367 14.202 -9.733 179 HA HIS 23 HA HIS 23 41.396 14.914 -10.726 180 HB2 HIS 23 HB2 HIS 23 43.353 15.928 -12.826 181 HB3 HIS 23 HB1 HIS 23 41.649 16.421 -12.689 182 HD1 HIS 23 HD1 HIS 23 44.805 17.716 -11.882 183 HD2 HIS 23 HD2 HIS 23 41.255 17.256 -9.677 184 HE1 HIS 23 HE1 HIS 23 44.938 19.304 -9.886 185 H LEU 24 HN LEU 24 41.373 12.365 -11.024 186 HA LEU 24 HA LEU 24 40.205 11.954 -13.683 187 HB2 LEU 24 HB2 LEU 24 42.732 11.584 -13.972 188 HB3 LEU 24 HB1 LEU 24 42.543 10.181 -12.896 189 HG LEU 24 HG LEU 24 40.572 9.523 -14.579 190 HD11 LEU 24 HD11 LEU 24 40.636 11.571 -15.942 191 HD12 LEU 24 HD12 LEU 24 41.152 10.184 -16.926 192 HD13 LEU 24 HD13 LEU 24 42.363 11.318 -16.286 193 HD21 LEU 24 HD21 LEU 24 42.221 8.263 -15.961 194 HD22 LEU 24 HD22 LEU 24 42.603 8.176 -14.225 195 HD23 LEU 24 HD23 LEU 24 43.531 9.262 -15.288 Start of MODEL 26 1 H1 GLY 1 HT1 GLY 1 60.578 1.962 -2.155 2 H2 GLY 1 HT2 GLY 1 60.745 1.201 -0.644 3 H3 GLY 1 HT3 GLY 1 61.963 2.237 -1.219 4 HA2 GLY 1 HA1 GLY 1 61.031 3.942 -0.290 5 HA3 GLY 1 HA2 GLY 1 59.567 3.630 -1.243 6 H LYS 2 HN LYS 2 61.186 1.742 1.339 7 HA LYS 2 HA LYS 2 58.728 0.980 2.577 8 HB2 LYS 2 HB2 LYS 2 60.895 -0.186 2.920 9 HB3 LYS 2 HB1 LYS 2 61.495 1.222 3.829 10 HG2 LYS 2 HG2 LYS 2 59.825 0.926 5.547 11 HG3 LYS 2 HG1 LYS 2 58.968 -0.301 4.584 12 HD2 LYS 2 HD2 LYS 2 60.811 -1.859 4.795 13 HD3 LYS 2 HD1 LYS 2 61.843 -0.615 5.542 14 HE2 LYS 2 HE2 LYS 2 60.845 -2.204 7.215 15 HE3 LYS 2 HE1 LYS 2 60.382 -0.509 7.497 16 HZ1 LYS 2 HZ1 LYS 2 58.276 -0.881 6.520 17 HZ2 LYS 2 HZ2 LYS 2 58.526 -2.170 7.596 18 HZ3 LYS 2 HZ3 LYS 2 58.721 -2.405 5.925 19 H GLY 3 HN GLY 3 57.830 1.603 4.613 20 HA2 GLY 3 HA1 GLY 3 58.005 3.377 6.494 21 HA3 GLY 3 HA2 GLY 3 58.175 4.602 5.149 22 H ARG 4 HN ARG 4 57.225 4.230 3.436 23 HA ARG 4 HA ARG 4 55.761 5.886 4.433 24 HB2 ARG 4 HB2 ARG 4 55.433 4.822 1.591 25 HB3 ARG 4 HB1 ARG 4 54.642 6.318 2.153 26 HG2 ARG 4 HG2 ARG 4 56.792 7.318 2.710 27 HG3 ARG 4 HG1 ARG 4 57.641 5.791 2.369 28 HD2 ARG 4 HD2 ARG 4 56.061 7.416 0.326 29 HD3 ARG 4 HD1 ARG 4 57.836 7.399 0.476 30 HE ARG 4 HE ARG 4 57.028 4.707 0.200 31 HH11 ARG 4 HH11 ARG 4 56.492 3.767 -1.820 32 HH12 ARG 4 HH12 ARG 4 56.692 4.719 -3.255 33 HH21 ARG 4 HH21 ARG 4 57.456 7.631 -1.533 34 HH22 ARG 4 HH22 ARG 4 57.238 6.908 -3.091 35 H TRP 5 HN TRP 5 55.105 2.770 4.282 36 HA TRP 5 HA TRP 5 52.439 2.192 3.705 37 HB2 TRP 5 HB2 TRP 5 53.928 1.314 6.211 38 HB3 TRP 5 HB1 TRP 5 52.513 0.502 5.498 39 HD1 TRP 5 HD1 TRP 5 56.177 0.428 5.436 40 HE1 TRP 5 HE1 TRP 5 57.087 -0.932 3.416 41 HE3 TRP 5 HE3 TRP 5 51.871 0.084 2.688 42 HZ2 TRP 5 HZ2 TRP 5 56.056 -2.009 0.952 43 HZ3 TRP 5 HZ3 TRP 5 51.857 -1.112 0.505 44 HH2 TRP 5 HH2 TRP 5 53.944 -2.159 -0.365 45 H LEU 6 HN LEU 6 53.624 4.417 6.046 46 HA LEU 6 HA LEU 6 50.893 4.680 7.289 47 HB2 LEU 6 HB2 LEU 6 52.661 4.062 8.881 48 HB3 LEU 6 HB1 LEU 6 53.640 5.449 8.363 49 HG LEU 6 HG LEU 6 50.837 6.158 9.194 50 HD11 LEU 6 HD11 LEU 6 52.861 5.104 11.219 51 HD12 LEU 6 HD12 LEU 6 51.252 4.427 10.869 52 HD13 LEU 6 HD13 LEU 6 51.397 6.028 11.632 53 HD21 LEU 6 HD21 LEU 6 53.546 7.227 10.118 54 HD22 LEU 6 HD22 LEU 6 51.965 8.026 10.274 55 HD23 LEU 6 HD23 LEU 6 52.697 7.809 8.669 56 H GLU 7 HN GLU 7 53.370 6.201 5.310 57 HA GLU 7 HA GLU 7 52.392 8.927 5.878 58 HB2 GLU 7 HB2 GLU 7 54.795 8.120 5.127 59 HB3 GLU 7 HB1 GLU 7 54.107 8.180 3.492 60 HG2 GLU 7 HG2 GLU 7 55.079 10.337 3.853 61 HG3 GLU 7 HG1 GLU 7 53.327 10.568 4.063 62 H ARG 8 HN ARG 8 50.695 6.606 4.683 63 HA ARG 8 HA ARG 8 50.016 7.473 2.003 64 HB2 ARG 8 HB2 ARG 8 48.338 5.879 3.981 65 HB3 ARG 8 HB1 ARG 8 48.122 5.952 2.215 66 HG2 ARG 8 HG2 ARG 8 50.505 5.067 1.996 67 HG3 ARG 8 HG1 ARG 8 50.472 4.770 3.751 68 HD2 ARG 8 HD2 ARG 8 48.726 3.520 1.599 69 HD3 ARG 8 HD1 ARG 8 49.809 2.703 2.753 70 HE ARG 8 HE ARG 8 47.947 4.026 4.355 71 HH11 ARG 8 HH11 ARG 8 48.048 1.598 1.916 72 HH12 ARG 8 HH12 ARG 8 46.525 0.902 2.356 73 HH21 ARG 8 HH21 ARG 8 45.893 3.207 4.867 74 HH22 ARG 8 HH22 ARG 8 45.305 1.812 4.027 75 H ILE 9 HN ILE 9 47.519 7.921 1.613 76 HA ILE 9 HA ILE 9 46.181 9.580 3.561 77 HB ILE 9 HB ILE 9 48.043 11.146 2.938 78 HG12 ILE 9 HG12 ILE 9 45.289 11.994 1.923 79 HG13 ILE 9 HG11 ILE 9 45.769 11.944 3.635 80 HG21 ILE 9 HG21 ILE 9 46.739 11.274 0.190 81 HG22 ILE 9 HG22 ILE 9 48.138 10.226 0.524 82 HG23 ILE 9 HG23 ILE 9 48.281 11.988 0.717 83 HD11 ILE 9 HD1 ILE 9 46.100 14.211 2.968 84 HD12 ILE 9 HD2 ILE 9 46.850 13.733 1.427 85 HD13 ILE 9 HD3 ILE 9 47.728 13.494 2.958 86 H GLY 10 HN GLY 10 44.084 9.603 3.085 87 HA2 GLY 10 HA1 GLY 10 43.058 9.909 0.417 88 HA3 GLY 10 HA2 GLY 10 43.025 8.198 0.887 89 H LYS 11 HN LYS 11 42.792 10.457 3.467 90 HA LYS 11 HA LYS 11 40.185 9.499 4.227 91 HB2 LYS 11 HB2 LYS 11 41.822 11.902 5.121 92 HB3 LYS 11 HB1 LYS 11 40.292 11.409 5.886 93 HG2 LYS 11 HG2 LYS 11 41.296 9.131 6.288 94 HG3 LYS 11 HG1 LYS 11 42.845 9.752 5.668 95 HD2 LYS 11 HD2 LYS 11 42.951 11.421 7.436 96 HD3 LYS 11 HD1 LYS 11 41.317 10.990 7.997 97 HE2 LYS 11 HE2 LYS 11 42.113 8.700 8.537 98 HE3 LYS 11 HE1 LYS 11 43.749 9.148 7.998 99 HZ1 LYS 11 HZ1 LYS 11 42.479 9.652 10.491 100 HZ2 LYS 11 HZ2 LYS 11 42.956 11.116 9.772 101 HZ3 LYS 11 HZ3 LYS 11 44.098 9.889 10.047 102 H ALA 12 HN ALA 12 41.024 11.546 1.715 103 HA ALA 12 HA ALA 12 39.798 13.052 0.465 104 HB1 ALA 12 HB1 ALA 12 37.471 12.678 0.269 105 HB2 ALA 12 HB2 ALA 12 37.324 12.122 1.952 106 HB3 ALA 12 HB3 ALA 12 38.127 11.096 0.742 107 H GLY 13 HN GLY 13 41.105 14.392 2.164 108 HA2 GLY 13 HA1 GLY 13 39.969 15.641 4.370 109 HA3 GLY 13 HA2 GLY 13 41.117 16.430 3.270 110 H PHE 14 HN PHE 14 37.725 15.859 4.027 111 HA PHE 14 HA PHE 14 35.843 17.127 3.563 112 HB2 PHE 14 HB2 PHE 14 37.456 19.014 4.286 113 HB3 PHE 14 HB1 PHE 14 37.654 19.355 2.552 114 HD1 PHE 14 HD1 PHE 14 35.975 20.562 1.342 115 HD2 PHE 14 HD2 PHE 14 35.104 19.037 5.285 116 HE1 PHE 14 HE1 PHE 14 33.833 21.834 1.361 117 HE2 PHE 14 HE2 PHE 14 32.963 20.310 5.304 118 HZ PHE 14 HZ PHE 14 32.359 21.758 3.368 119 H ILE 15 HN ILE 15 36.860 15.307 1.647 120 HA ILE 15 HA ILE 15 36.508 14.676 -0.530 121 HB ILE 15 HB ILE 15 34.714 17.120 -0.785 122 HG12 ILE 15 HG12 ILE 15 34.043 15.962 1.235 123 HG13 ILE 15 HG11 ILE 15 32.866 15.558 -0.032 124 HG21 ILE 15 HG21 ILE 15 33.462 15.256 -2.264 125 HG22 ILE 15 HG22 ILE 15 35.099 14.573 -2.373 126 HG23 ILE 15 HG23 ILE 15 34.788 16.229 -2.932 127 HD11 ILE 15 HD1 ILE 15 34.372 13.462 -0.458 128 HD12 ILE 15 HD2 ILE 15 33.339 13.471 0.988 129 HD13 ILE 15 HD3 ILE 15 35.075 13.831 1.134 130 H ILE 16 HN ILE 16 38.784 15.293 -0.726 131 HA ILE 16 HA ILE 16 39.052 17.358 -2.901 132 HB ILE 16 HB ILE 16 40.976 16.926 -0.579 133 HG12 ILE 16 HG12 ILE 16 38.781 18.290 -0.173 134 HG13 ILE 16 HG11 ILE 16 40.320 19.018 0.312 135 HG21 ILE 16 HG21 ILE 16 42.239 17.430 -2.577 136 HG22 ILE 16 HG22 ILE 16 42.148 18.936 -1.640 137 HG23 ILE 16 HG23 ILE 16 41.096 18.702 -3.056 138 HD11 ILE 16 HD1 ILE 16 39.001 19.592 -2.379 139 HD12 ILE 16 HD2 ILE 16 40.347 20.465 -1.616 140 HD13 ILE 16 HD3 ILE 16 38.713 20.566 -0.923 141 H ILE 17 HN ILE 17 40.733 14.725 -1.099 142 HA ILE 17 HA ILE 17 42.352 14.019 -3.412 143 HB ILE 17 HB ILE 17 41.709 12.530 -0.820 144 HG12 ILE 17 HG12 ILE 17 44.092 13.018 -0.326 145 HG13 ILE 17 HG11 ILE 17 44.247 13.853 -1.889 146 HG21 ILE 17 HG21 ILE 17 42.129 10.780 -2.405 147 HG22 ILE 17 HG22 ILE 17 43.681 11.042 -1.576 148 HG23 ILE 17 HG23 ILE 17 43.417 11.712 -3.204 149 HD11 ILE 17 HD1 ILE 17 42.882 15.651 -1.207 150 HD12 ILE 17 HD2 ILE 17 43.789 15.278 0.274 151 HD13 ILE 17 HD3 ILE 17 42.111 14.712 0.092 152 H GLY 18 HN GLY 18 39.495 12.591 -1.789 153 HA2 GLY 18 HA1 GLY 18 39.085 10.616 -3.874 154 HA3 GLY 18 HA2 GLY 18 37.949 11.049 -2.578 155 H GLY 19 HN GLY 19 37.687 13.798 -3.050 156 HA2 GLY 19 HA1 GLY 19 35.672 13.797 -5.067 157 HA3 GLY 19 HA2 GLY 19 36.400 15.232 -4.323 158 H ALA 20 HN ALA 20 39.054 15.005 -5.108 159 HA ALA 20 HA ALA 20 38.840 15.986 -7.832 160 HB1 ALA 20 HB1 ALA 20 41.254 16.249 -7.705 161 HB2 ALA 20 HB2 ALA 20 41.320 15.214 -6.260 162 HB3 ALA 20 HB3 ALA 20 40.514 16.800 -6.185 163 H LEU 21 HN LEU 21 39.171 12.853 -6.461 164 HA LEU 21 HA LEU 21 39.661 10.785 -7.407 165 HB2 LEU 21 HB2 LEU 21 38.772 12.191 -9.957 166 HB3 LEU 21 HB1 LEU 21 38.842 10.434 -9.705 167 HG LEU 21 HG LEU 21 37.185 12.227 -7.880 168 HD11 LEU 21 HD11 LEU 21 36.284 10.886 -10.468 169 HD12 LEU 21 HD12 LEU 21 36.444 12.639 -10.206 170 HD13 LEU 21 HD13 LEU 21 35.225 11.710 -9.301 171 HD21 LEU 21 HD21 LEU 21 37.513 9.972 -7.034 172 HD22 LEU 21 HD22 LEU 21 37.138 9.263 -8.622 173 HD23 LEU 21 HD23 LEU 21 35.861 10.063 -7.680 174 H ASP 22 HN ASP 22 41.937 11.172 -6.937 175 HA ASP 22 HA ASP 22 44.179 11.414 -7.534 176 HB2 ASP 22 HB2 ASP 22 44.871 9.910 -9.315 177 HB3 ASP 22 HB1 ASP 22 43.545 9.156 -8.400 178 H HIS 23 HN HIS 23 42.481 13.644 -8.366 179 HA HIS 23 HA HIS 23 42.662 15.550 -9.670 180 HB2 HIS 23 HB2 HIS 23 45.411 14.578 -10.517 181 HB3 HIS 23 HB1 HIS 23 44.838 16.252 -10.310 182 HD1 HIS 23 HD1 HIS 23 46.433 13.431 -8.521 183 HD2 HIS 23 HD2 HIS 23 44.273 16.878 -7.455 184 HE1 HIS 23 HE1 HIS 23 46.877 13.873 -6.044 185 H LEU 24 HN LEU 24 41.054 13.994 -10.910 186 HA LEU 24 HA LEU 24 41.539 14.487 -13.709 187 HB2 LEU 24 HB2 LEU 24 43.029 12.592 -13.634 188 HB3 LEU 24 HB1 LEU 24 41.860 11.633 -12.703 189 HG LEU 24 HG LEU 24 40.360 11.475 -14.601 190 HD11 LEU 24 HD11 LEU 24 42.219 13.546 -15.835 191 HD12 LEU 24 HD12 LEU 24 40.454 13.633 -15.615 192 HD13 LEU 24 HD13 LEU 24 41.144 12.539 -16.834 193 HD21 LEU 24 HD21 LEU 24 41.817 10.325 -16.244 194 HD22 LEU 24 HD22 LEU 24 42.287 9.919 -14.577 195 HD23 LEU 24 HD23 LEU 24 43.247 11.091 -15.512 Start of MODEL 27 1 H1 GLY 1 HT1 GLY 1 56.996 1.110 13.083 2 H2 GLY 1 HT2 GLY 1 56.450 0.646 14.625 3 H3 GLY 1 HT3 GLY 1 57.618 1.871 14.464 4 HA2 GLY 1 HA1 GLY 1 54.757 1.957 14.167 5 HA3 GLY 1 HA2 GLY 1 55.892 3.202 14.725 6 H LYS 2 HN LYS 2 57.677 2.956 12.435 7 HA LYS 2 HA LYS 2 56.214 4.751 10.636 8 HB2 LYS 2 HB2 LYS 2 59.009 3.556 10.469 9 HB3 LYS 2 HB1 LYS 2 58.371 4.837 9.409 10 HG2 LYS 2 HG2 LYS 2 57.881 6.171 11.553 11 HG3 LYS 2 HG1 LYS 2 58.870 4.967 12.411 12 HD2 LYS 2 HD2 LYS 2 59.768 6.740 10.096 13 HD3 LYS 2 HD1 LYS 2 60.268 6.885 11.797 14 HE2 LYS 2 HE2 LYS 2 60.960 4.709 9.796 15 HE3 LYS 2 HE1 LYS 2 62.056 5.702 10.784 16 HZ1 LYS 2 HZ1 LYS 2 62.052 3.806 12.008 17 HZ2 LYS 2 HZ2 LYS 2 60.488 3.341 11.530 18 HZ3 LYS 2 HZ3 LYS 2 60.697 4.546 12.710 19 H GLY 3 HN GLY 3 54.802 2.441 10.607 20 HA2 GLY 3 HA1 GLY 3 55.463 0.399 8.757 21 HA3 GLY 3 HA2 GLY 3 53.771 1.051 8.944 22 H ARG 4 HN ARG 4 53.457 2.982 8.620 23 HA ARG 4 HA ARG 4 52.660 2.035 6.537 24 HB2 ARG 4 HB2 ARG 4 52.356 4.996 7.225 25 HB3 ARG 4 HB1 ARG 4 51.379 4.175 5.981 26 HG2 ARG 4 HG2 ARG 4 50.522 2.588 7.625 27 HG3 ARG 4 HG1 ARG 4 51.601 3.244 8.878 28 HD2 ARG 4 HD2 ARG 4 49.462 4.874 7.443 29 HD3 ARG 4 HD1 ARG 4 49.232 4.102 9.030 30 HE ARG 4 HE ARG 4 50.655 6.567 8.560 31 HH11 ARG 4 HH11 ARG 4 49.507 6.083 11.181 32 HH12 ARG 4 HH12 ARG 4 50.876 5.685 12.167 33 HH21 ARG 4 HH21 ARG 4 52.950 4.997 9.475 34 HH22 ARG 4 HH22 ARG 4 52.825 5.070 11.201 35 H TRP 5 HN TRP 5 55.428 3.591 6.861 36 HA TRP 5 HA TRP 5 56.069 5.259 4.729 37 HB2 TRP 5 HB2 TRP 5 57.651 4.371 6.501 38 HB3 TRP 5 HB1 TRP 5 57.807 2.889 5.527 39 HD1 TRP 5 HD1 TRP 5 59.555 2.927 3.673 40 HE1 TRP 5 HE1 TRP 5 61.020 4.725 2.501 41 HE3 TRP 5 HE3 TRP 5 57.529 7.124 5.792 42 HZ2 TRP 5 HZ2 TRP 5 61.255 7.596 2.503 43 HZ3 TRP 5 HZ3 TRP 5 58.388 9.382 5.192 44 HH2 TRP 5 HH2 TRP 5 60.248 9.622 3.551 45 H LEU 6 HN LEU 6 55.017 1.979 4.557 46 HA LEU 6 HA LEU 6 55.612 1.892 1.601 47 HB2 LEU 6 HB2 LEU 6 55.143 -0.511 3.406 48 HB3 LEU 6 HB1 LEU 6 55.791 -0.484 1.749 49 HG LEU 6 HG LEU 6 57.165 0.737 4.189 50 HD11 LEU 6 HD11 LEU 6 58.689 -1.158 4.051 51 HD12 LEU 6 HD12 LEU 6 57.858 -1.772 2.601 52 HD13 LEU 6 HD13 LEU 6 57.025 -1.778 4.175 53 HD21 LEU 6 HD21 LEU 6 57.876 1.940 2.242 54 HD22 LEU 6 HD22 LEU 6 57.909 0.467 1.246 55 HD23 LEU 6 HD23 LEU 6 59.136 0.716 2.510 56 H GLU 7 HN GLU 7 53.185 1.968 4.109 57 HA GLU 7 HA GLU 7 51.134 0.688 2.379 58 HB2 GLU 7 HB2 GLU 7 51.309 0.501 4.958 59 HB3 GLU 7 HB1 GLU 7 50.663 2.156 4.999 60 HG2 GLU 7 HG2 GLU 7 48.664 1.439 3.755 61 HG3 GLU 7 HG1 GLU 7 49.322 -0.208 3.607 62 H ARG 8 HN ARG 8 52.623 3.682 2.604 63 HA ARG 8 HA ARG 8 52.097 5.751 1.719 64 HB2 ARG 8 HB2 ARG 8 51.312 4.148 -0.184 65 HB3 ARG 8 HB1 ARG 8 49.669 4.502 0.386 66 HG2 ARG 8 HG2 ARG 8 49.927 6.183 -1.228 67 HG3 ARG 8 HG1 ARG 8 50.483 7.045 0.223 68 HD2 ARG 8 HD2 ARG 8 52.832 6.549 -0.356 69 HD3 ARG 8 HD1 ARG 8 52.301 5.600 -1.765 70 HE ARG 8 HE ARG 8 51.180 8.206 -1.997 71 HH11 ARG 8 HH11 ARG 8 52.378 9.946 -2.886 72 HH12 ARG 8 HH12 ARG 8 53.957 9.625 -3.519 73 HH21 ARG 8 HH21 ARG 8 54.022 6.337 -2.422 74 HH22 ARG 8 HH22 ARG 8 54.888 7.582 -3.257 75 H ILE 9 HN ILE 9 48.996 6.102 1.025 76 HA ILE 9 HA ILE 9 47.793 6.221 3.679 77 HB ILE 9 HB ILE 9 49.356 8.207 3.736 78 HG12 ILE 9 HG12 ILE 9 46.372 8.852 3.707 79 HG13 ILE 9 HG11 ILE 9 47.246 8.095 5.059 80 HG21 ILE 9 HG21 ILE 9 47.491 9.495 1.707 81 HG22 ILE 9 HG22 ILE 9 48.972 8.652 1.191 82 HG23 ILE 9 HG23 ILE 9 49.081 10.055 2.278 83 HD11 ILE 9 HD1 ILE 9 47.141 10.430 5.584 84 HD12 ILE 9 HD2 ILE 9 47.605 10.898 3.931 85 HD13 ILE 9 HD3 ILE 9 48.801 10.143 5.013 86 H GLY 10 HN GLY 10 45.713 5.848 3.377 87 HA2 GLY 10 HA1 GLY 10 44.558 6.153 0.686 88 HA3 GLY 10 HA2 GLY 10 43.786 5.431 2.111 89 H LYS 11 HN LYS 11 45.301 8.592 2.261 90 HA LYS 11 HA LYS 11 42.585 9.793 2.712 91 HB2 LYS 11 HB2 LYS 11 44.425 9.985 4.457 92 HB3 LYS 11 HB1 LYS 11 45.310 11.009 3.300 93 HG2 LYS 11 HG2 LYS 11 43.292 12.511 3.167 94 HG3 LYS 11 HG1 LYS 11 42.526 11.538 4.440 95 HD2 LYS 11 HD2 LYS 11 45.279 12.770 4.864 96 HD3 LYS 11 HD1 LYS 11 43.804 13.723 5.130 97 HE2 LYS 11 HE2 LYS 11 44.520 11.095 6.511 98 HE3 LYS 11 HE1 LYS 11 44.533 12.713 7.245 99 HZ1 LYS 11 HZ1 LYS 11 42.356 10.940 6.899 100 HZ2 LYS 11 HZ2 LYS 11 42.039 12.388 6.068 101 HZ3 LYS 11 HZ3 LYS 11 42.405 12.420 7.727 102 H ALA 12 HN ALA 12 41.789 10.337 0.741 103 HA ALA 12 HA ALA 12 43.519 11.578 -1.292 104 HB1 ALA 12 HB1 ALA 12 41.774 10.151 -2.086 105 HB2 ALA 12 HB2 ALA 12 41.292 11.815 -2.492 106 HB3 ALA 12 HB3 ALA 12 40.550 10.987 -1.103 107 H GLY 13 HN GLY 13 43.950 13.161 0.744 108 HA2 GLY 13 HA1 GLY 13 43.737 15.324 1.544 109 HA3 GLY 13 HA2 GLY 13 43.157 15.721 -0.087 110 H PHE 14 HN PHE 14 41.794 13.721 2.556 111 HA PHE 14 HA PHE 14 39.721 13.810 3.581 112 HB2 PHE 14 HB2 PHE 14 40.647 16.079 4.263 113 HB3 PHE 14 HB1 PHE 14 39.722 16.778 2.913 114 HD1 PHE 14 HD1 PHE 14 37.422 17.312 3.198 115 HD2 PHE 14 HD2 PHE 14 39.344 14.616 5.969 116 HE1 PHE 14 HE1 PHE 14 35.376 17.313 4.620 117 HE2 PHE 14 HE2 PHE 14 37.298 14.617 7.390 118 HZ PHE 14 HZ PHE 14 35.283 15.891 6.664 119 H ILE 15 HN ILE 15 39.700 12.957 0.952 120 HA ILE 15 HA ILE 15 38.226 12.555 -0.766 121 HB ILE 15 HB ILE 15 36.109 14.081 0.797 122 HG12 ILE 15 HG12 ILE 15 37.101 11.215 1.149 123 HG13 ILE 15 HG11 ILE 15 37.190 12.520 2.353 124 HG21 ILE 15 HG21 ILE 15 34.563 12.660 -0.368 125 HG22 ILE 15 HG22 ILE 15 35.872 11.609 -0.961 126 HG23 ILE 15 HG23 ILE 15 35.703 13.265 -1.589 127 HD11 ILE 15 HD1 ILE 15 34.590 12.642 2.099 128 HD12 ILE 15 HD2 ILE 15 35.282 11.282 3.015 129 HD13 ILE 15 HD3 ILE 15 34.742 11.040 1.338 130 H ILE 16 HN ILE 16 39.751 14.180 -1.727 131 HA ILE 16 HA ILE 16 38.115 16.398 -2.918 132 HB ILE 16 HB ILE 16 40.986 16.573 -1.891 133 HG12 ILE 16 HG12 ILE 16 38.937 16.944 -0.304 134 HG13 ILE 16 HG11 ILE 16 40.228 18.159 -0.314 135 HG21 ILE 16 HG21 ILE 16 39.406 18.461 -3.682 136 HG22 ILE 16 HG22 ILE 16 40.983 17.704 -4.008 137 HG23 ILE 16 HG23 ILE 16 40.846 18.971 -2.770 138 HD11 ILE 16 HD1 ILE 16 37.837 19.071 -0.365 139 HD12 ILE 16 HD2 ILE 16 37.716 18.445 -2.021 140 HD13 ILE 16 HD3 ILE 16 38.923 19.687 -1.627 141 H ILE 17 HN ILE 17 41.419 14.980 -3.167 142 HA ILE 17 HA ILE 17 41.326 15.145 -6.067 143 HB ILE 17 HB ILE 17 43.496 15.200 -4.895 144 HG12 ILE 17 HG12 ILE 17 44.720 13.530 -6.200 145 HG13 ILE 17 HG11 ILE 17 43.248 12.568 -6.438 146 HG21 ILE 17 HG21 ILE 17 44.329 13.337 -3.613 147 HG22 ILE 17 HG22 ILE 17 42.961 12.310 -4.101 148 HG23 ILE 17 HG23 ILE 17 42.693 13.689 -3.010 149 HD11 ILE 17 HD1 ILE 17 43.341 15.464 -7.351 150 HD12 ILE 17 HD2 ILE 17 42.315 14.134 -7.943 151 HD13 ILE 17 HD3 ILE 17 44.043 14.178 -8.361 152 H GLY 18 HN GLY 18 40.257 12.931 -3.648 153 HA2 GLY 18 HA1 GLY 18 40.075 10.628 -5.497 154 HA3 GLY 18 HA2 GLY 18 39.607 10.673 -3.786 155 H GLY 19 HN GLY 19 37.891 12.853 -3.711 156 HA2 GLY 19 HA1 GLY 19 35.509 11.623 -4.861 157 HA3 GLY 19 HA2 GLY 19 35.588 13.132 -3.934 158 H ALA 20 HN ALA 20 37.460 14.530 -5.559 159 HA ALA 20 HA ALA 20 35.720 15.777 -7.393 160 HB1 ALA 20 HB1 ALA 20 37.760 16.837 -6.601 161 HB2 ALA 20 HB2 ALA 20 37.772 16.766 -8.379 162 HB3 ALA 20 HB3 ALA 20 38.751 15.618 -7.436 163 H LEU 21 HN LEU 21 38.641 14.032 -8.511 164 HA LEU 21 HA LEU 21 38.979 12.749 -10.415 165 HB2 LEU 21 HB2 LEU 21 36.019 12.064 -10.305 166 HB3 LEU 21 HB1 LEU 21 37.344 11.099 -10.995 167 HG LEU 21 HG LEU 21 37.031 11.805 -8.045 168 HD11 LEU 21 HD11 LEU 21 36.664 9.139 -9.479 169 HD12 LEU 21 HD12 LEU 21 35.330 10.191 -8.948 170 HD13 LEU 21 HD13 LEU 21 36.419 9.460 -7.746 171 HD21 LEU 21 HD21 LEU 21 39.091 10.227 -9.640 172 HD22 LEU 21 HD22 LEU 21 38.827 9.912 -7.909 173 HD23 LEU 21 HD23 LEU 21 39.363 11.519 -8.447 174 H ASP 22 HN ASP 22 37.606 15.571 -10.407 175 HA ASP 22 HA ASP 22 36.169 15.632 -12.940 176 HB2 ASP 22 HB2 ASP 22 37.400 17.810 -11.209 177 HB3 ASP 22 HB1 ASP 22 36.436 18.125 -12.673 178 H HIS 23 HN HIS 23 38.966 17.697 -12.213 179 HA HIS 23 HA HIS 23 40.575 16.510 -14.384 180 HB2 HIS 23 HB2 HIS 23 39.487 19.345 -14.634 181 HB3 HIS 23 HB1 HIS 23 40.680 18.582 -15.713 182 HD1 HIS 23 HD1 HIS 23 39.771 16.171 -16.801 183 HD2 HIS 23 HD2 HIS 23 36.901 18.964 -15.512 184 HE1 HIS 23 HE1 HIS 23 37.560 15.569 -17.934 185 H LEU 24 HN LEU 24 41.345 16.461 -11.874 186 HA LEU 24 HA LEU 24 43.683 18.186 -11.874 187 HB2 LEU 24 HB2 LEU 24 41.629 19.588 -10.956 188 HB3 LEU 24 HB1 LEU 24 41.882 18.642 -9.475 189 HG LEU 24 HG LEU 24 43.942 20.397 -10.890 190 HD11 LEU 24 HD11 LEU 24 42.638 20.622 -8.141 191 HD12 LEU 24 HD12 LEU 24 42.167 21.575 -9.569 192 HD13 LEU 24 HD13 LEU 24 43.790 21.769 -8.864 193 HD21 LEU 24 HD21 LEU 24 45.276 19.841 -8.730 194 HD22 LEU 24 HD22 LEU 24 45.187 18.576 -9.977 195 HD23 LEU 24 HD23 LEU 24 44.148 18.478 -8.533 Start of MODEL 28 1 H1 GLY 1 HT1 GLY 1 56.928 -3.698 11.410 2 H2 GLY 1 HT2 GLY 1 57.808 -2.333 11.912 3 H3 GLY 1 HT3 GLY 1 58.602 -3.813 11.649 4 HA2 GLY 1 HA1 GLY 1 59.074 -2.454 9.831 5 HA3 GLY 1 HA2 GLY 1 57.932 -3.711 9.315 6 H LYS 2 HN LYS 2 58.145 -0.343 10.485 7 HA LYS 2 HA LYS 2 55.434 0.285 9.576 8 HB2 LYS 2 HB2 LYS 2 57.636 2.281 10.196 9 HB3 LYS 2 HB1 LYS 2 55.875 2.488 10.349 10 HG2 LYS 2 HG2 LYS 2 57.627 0.629 12.020 11 HG3 LYS 2 HG1 LYS 2 56.872 2.144 12.568 12 HD2 LYS 2 HD2 LYS 2 54.616 1.065 11.881 13 HD3 LYS 2 HD1 LYS 2 55.516 -0.470 11.800 14 HE2 LYS 2 HE2 LYS 2 54.529 -0.279 14.016 15 HE3 LYS 2 HE1 LYS 2 56.291 -0.070 14.166 16 HZ1 LYS 2 HZ1 LYS 2 55.423 2.450 13.712 17 HZ2 LYS 2 HZ2 LYS 2 55.754 1.795 15.245 18 HZ3 LYS 2 HZ3 LYS 2 54.161 1.818 14.654 19 H GLY 3 HN GLY 3 56.142 -0.795 7.399 20 HA2 GLY 3 HA1 GLY 3 57.773 0.374 5.448 21 HA3 GLY 3 HA2 GLY 3 56.109 -0.263 5.052 22 H ARG 4 HN ARG 4 54.549 0.570 5.999 23 HA ARG 4 HA ARG 4 54.404 1.626 3.823 24 HB2 ARG 4 HB2 ARG 4 52.259 2.013 5.968 25 HB3 ARG 4 HB1 ARG 4 51.981 2.288 4.231 26 HG2 ARG 4 HG2 ARG 4 52.687 -0.045 3.752 27 HG3 ARG 4 HG1 ARG 4 52.946 -0.320 5.492 28 HD2 ARG 4 HD2 ARG 4 50.527 0.275 5.884 29 HD3 ARG 4 HD1 ARG 4 50.308 0.354 4.120 30 HE ARG 4 HE ARG 4 51.478 -2.171 4.783 31 HH11 ARG 4 HH11 ARG 4 49.787 -2.813 6.822 32 HH12 ARG 4 HH12 ARG 4 48.229 -3.120 6.132 33 HH21 ARG 4 HH21 ARG 4 48.938 -1.500 3.148 34 HH22 ARG 4 HH22 ARG 4 47.747 -2.377 4.052 35 H TRP 5 HN TRP 5 55.465 3.081 6.449 36 HA TRP 5 HA TRP 5 54.640 5.723 6.724 37 HB2 TRP 5 HB2 TRP 5 56.579 4.605 7.913 38 HB3 TRP 5 HB1 TRP 5 57.577 4.959 6.483 39 HD1 TRP 5 HD1 TRP 5 58.692 7.249 6.432 40 HE1 TRP 5 HE1 TRP 5 58.459 9.493 7.727 41 HE3 TRP 5 HE3 TRP 5 54.561 6.132 9.244 42 HZ2 TRP 5 HZ2 TRP 5 56.702 10.617 9.713 43 HZ3 TRP 5 HZ3 TRP 5 53.625 7.805 10.833 44 HH2 TRP 5 HH2 TRP 5 54.690 10.045 11.069 45 H LEU 6 HN LEU 6 55.978 4.267 3.899 46 HA LEU 6 HA LEU 6 56.231 6.963 2.567 47 HB2 LEU 6 HB2 LEU 6 57.544 4.364 1.692 48 HB3 LEU 6 HB1 LEU 6 57.864 6.007 1.094 49 HG LEU 6 HG LEU 6 58.384 5.052 3.947 50 HD11 LEU 6 HD11 LEU 6 60.369 5.688 1.725 51 HD12 LEU 6 HD12 LEU 6 59.856 4.038 2.156 52 HD13 LEU 6 HD13 LEU 6 60.733 5.037 3.341 53 HD21 LEU 6 HD21 LEU 6 58.823 7.683 2.474 54 HD22 LEU 6 HD22 LEU 6 59.773 7.253 3.917 55 HD23 LEU 6 HD23 LEU 6 58.007 7.409 4.031 56 H GLU 7 HN GLU 7 54.569 3.883 2.684 57 HA GLU 7 HA GLU 7 53.604 4.150 -0.121 58 HB2 GLU 7 HB2 GLU 7 52.898 2.148 2.062 59 HB3 GLU 7 HB1 GLU 7 52.410 2.053 0.354 60 HG2 GLU 7 HG2 GLU 7 55.319 2.191 1.254 61 HG3 GLU 7 HG1 GLU 7 54.455 0.659 0.975 62 H ARG 8 HN ARG 8 53.019 6.054 2.254 63 HA ARG 8 HA ARG 8 50.310 5.832 3.026 64 HB2 ARG 8 HB2 ARG 8 50.436 8.397 3.169 65 HB3 ARG 8 HB1 ARG 8 51.654 7.485 4.094 66 HG2 ARG 8 HG2 ARG 8 53.335 7.854 2.392 67 HG3 ARG 8 HG1 ARG 8 52.131 8.548 1.281 68 HD2 ARG 8 HD2 ARG 8 52.958 9.723 3.972 69 HD3 ARG 8 HD1 ARG 8 53.444 10.337 2.373 70 HE ARG 8 HE ARG 8 50.633 10.283 2.348 71 HH11 ARG 8 HH11 ARG 8 49.331 11.702 3.671 72 HH12 ARG 8 HH12 ARG 8 50.099 13.117 4.309 73 HH21 ARG 8 HH21 ARG 8 53.291 12.122 3.394 74 HH22 ARG 8 HH22 ARG 8 52.342 13.355 4.153 75 H ILE 9 HN ILE 9 48.830 7.911 2.296 76 HA ILE 9 HA ILE 9 48.717 8.094 -0.662 77 HB ILE 9 HB ILE 9 46.179 7.466 -0.513 78 HG12 ILE 9 HG12 ILE 9 47.098 5.714 1.810 79 HG13 ILE 9 HG11 ILE 9 46.459 7.338 2.129 80 HG21 ILE 9 HG21 ILE 9 48.278 5.269 -0.190 81 HG22 ILE 9 HG22 ILE 9 47.928 6.136 -1.703 82 HG23 ILE 9 HG23 ILE 9 46.687 5.102 -0.966 83 HD11 ILE 9 HD1 ILE 9 44.394 6.734 0.825 84 HD12 ILE 9 HD2 ILE 9 44.633 5.739 2.279 85 HD13 ILE 9 HD3 ILE 9 45.021 5.076 0.677 86 H GLY 10 HN GLY 10 48.269 10.098 -1.180 87 HA2 GLY 10 HA1 GLY 10 47.546 12.044 0.814 88 HA3 GLY 10 HA2 GLY 10 47.639 12.314 -0.937 89 H LYS 11 HN LYS 11 45.670 9.723 -0.659 90 HA LYS 11 HA LYS 11 43.280 11.328 -1.158 91 HB2 LYS 11 HB2 LYS 11 43.568 8.321 -0.766 92 HB3 LYS 11 HB1 LYS 11 42.183 9.171 -1.491 93 HG2 LYS 11 HG2 LYS 11 43.538 9.932 -3.356 94 HG3 LYS 11 HG1 LYS 11 45.023 9.313 -2.592 95 HD2 LYS 11 HD2 LYS 11 44.269 7.021 -2.812 96 HD3 LYS 11 HD1 LYS 11 42.657 7.551 -3.352 97 HE2 LYS 11 HE2 LYS 11 44.195 6.806 -5.227 98 HE3 LYS 11 HE1 LYS 11 43.567 8.462 -5.406 99 HZ1 LYS 11 HZ1 LYS 11 46.067 8.177 -3.935 100 HZ2 LYS 11 HZ2 LYS 11 45.590 9.361 -5.057 101 HZ3 LYS 11 HZ3 LYS 11 46.145 7.848 -5.596 102 H ALA 12 HN ALA 12 42.703 12.459 0.673 103 HA ALA 12 HA ALA 12 42.740 11.422 3.319 104 HB1 ALA 12 HB1 ALA 12 42.452 13.814 2.741 105 HB2 ALA 12 HB2 ALA 12 41.189 13.234 3.853 106 HB3 ALA 12 HB3 ALA 12 40.821 13.455 2.126 107 H GLY 13 HN GLY 13 40.903 10.468 0.657 108 HA2 GLY 13 HA1 GLY 13 39.104 9.028 0.454 109 HA3 GLY 13 HA2 GLY 13 39.467 8.491 2.105 110 H PHE 14 HN PHE 14 38.597 11.803 1.173 111 HA PHE 14 HA PHE 14 35.839 11.415 2.270 112 HB2 PHE 14 HB2 PHE 14 37.866 13.436 3.316 113 HB3 PHE 14 HB1 PHE 14 36.122 13.502 3.652 114 HD1 PHE 14 HD1 PHE 14 39.210 12.353 4.925 115 HD2 PHE 14 HD2 PHE 14 35.091 11.127 4.473 116 HE1 PHE 14 HE1 PHE 14 39.484 10.730 6.793 117 HE2 PHE 14 HE2 PHE 14 35.373 9.504 6.338 118 HZ PHE 14 HZ PHE 14 37.578 9.280 7.475 119 H ILE 15 HN ILE 15 38.185 13.855 1.036 120 HA ILE 15 HA ILE 15 36.289 14.564 -1.111 121 HB ILE 15 HB ILE 15 36.463 17.056 -0.461 122 HG12 ILE 15 HG12 ILE 15 37.147 15.808 2.242 123 HG13 ILE 15 HG11 ILE 15 38.304 16.683 1.214 124 HG21 ILE 15 HG21 ILE 15 34.504 16.953 0.937 125 HG22 ILE 15 HG22 ILE 15 34.933 15.334 1.532 126 HG23 ILE 15 HG23 ILE 15 34.410 15.554 -0.153 127 HD11 ILE 15 HD1 ILE 15 35.872 17.765 2.675 128 HD12 ILE 15 HD2 ILE 15 36.571 18.639 1.290 129 HD13 ILE 15 HD3 ILE 15 37.555 18.333 2.740 130 H ILE 16 HN ILE 16 38.433 13.379 -1.760 131 HA ILE 16 HA ILE 16 40.274 15.541 -2.728 132 HB ILE 16 HB ILE 16 41.001 12.907 -1.386 133 HG12 ILE 16 HG12 ILE 16 40.697 15.162 -0.087 134 HG13 ILE 16 HG11 ILE 16 42.146 14.191 0.226 135 HG21 ILE 16 HG21 ILE 16 42.696 14.643 -3.224 136 HG22 ILE 16 HG22 ILE 16 42.393 12.892 -3.323 137 HG23 ILE 16 HG23 ILE 16 43.416 13.541 -2.024 138 HD11 ILE 16 HD1 ILE 16 43.542 15.660 -1.038 139 HD12 ILE 16 HD2 ILE 16 42.483 16.731 -0.098 140 HD13 ILE 16 HD3 ILE 16 42.157 16.452 -1.819 141 H ILE 17 HN ILE 17 39.016 12.218 -2.993 142 HA ILE 17 HA ILE 17 39.925 12.097 -5.845 143 HB ILE 17 HB ILE 17 38.860 9.681 -5.573 144 HG12 ILE 17 HG12 ILE 17 38.892 8.855 -3.254 145 HG13 ILE 17 HG11 ILE 17 39.343 10.468 -2.658 146 HG21 ILE 17 HG21 ILE 17 41.395 10.587 -4.141 147 HG22 ILE 17 HG22 ILE 17 41.255 10.030 -5.826 148 HG23 ILE 17 HG23 ILE 17 40.991 8.889 -4.485 149 HD11 ILE 17 HD1 ILE 17 36.808 10.028 -4.279 150 HD12 ILE 17 HD2 ILE 17 37.220 11.390 -3.205 151 HD13 ILE 17 HD3 ILE 17 36.842 9.796 -2.515 152 H GLY 18 HN GLY 18 37.551 13.663 -4.496 153 HA2 GLY 18 HA1 GLY 18 35.764 13.291 -6.774 154 HA3 GLY 18 HA2 GLY 18 35.077 12.689 -5.253 155 H GLY 19 HN GLY 19 35.963 14.499 -3.397 156 HA2 GLY 19 HA1 GLY 19 34.114 16.615 -3.698 157 HA3 GLY 19 HA2 GLY 19 35.465 16.591 -2.549 158 H ALA 20 HN ALA 20 37.634 16.533 -4.313 159 HA ALA 20 HA ALA 20 37.883 19.325 -4.914 160 HB1 ALA 20 HB1 ALA 20 40.006 18.732 -5.900 161 HB2 ALA 20 HB2 ALA 20 39.506 17.030 -6.063 162 HB3 ALA 20 HB3 ALA 20 39.765 17.734 -4.449 163 H LEU 21 HN LEU 21 37.548 16.475 -7.081 164 HA LEU 21 HA LEU 21 36.707 16.327 -9.229 165 HB2 LEU 21 HB2 LEU 21 34.817 17.670 -7.991 166 HB3 LEU 21 HB1 LEU 21 35.429 19.060 -8.910 167 HG LEU 21 HG LEU 21 35.232 17.387 -10.992 168 HD11 LEU 21 HD11 LEU 21 33.234 16.233 -8.992 169 HD12 LEU 21 HD12 LEU 21 34.625 15.381 -9.701 170 HD13 LEU 21 HD13 LEU 21 33.262 15.870 -10.732 171 HD21 LEU 21 HD21 LEU 21 33.945 19.472 -10.768 172 HD22 LEU 21 HD22 LEU 21 32.819 18.680 -9.639 173 HD23 LEU 21 HD23 LEU 21 32.883 18.163 -11.340 174 H ASP 22 HN ASP 22 38.953 18.499 -8.244 175 HA ASP 22 HA ASP 22 39.216 20.088 -10.693 176 HB2 ASP 22 HB2 ASP 22 39.976 20.864 -8.431 177 HB3 ASP 22 HB1 ASP 22 41.243 19.614 -8.474 178 H HIS 23 HN HIS 23 39.006 17.686 -11.729 179 HA HIS 23 HA HIS 23 40.070 16.104 -13.048 180 HB2 HIS 23 HB2 HIS 23 40.980 18.218 -14.061 181 HB3 HIS 23 HB1 HIS 23 42.402 18.057 -13.003 182 HD1 HIS 23 HD1 HIS 23 44.192 16.355 -13.629 183 HD2 HIS 23 HD2 HIS 23 40.759 16.114 -16.047 184 HE1 HIS 23 HE1 HIS 23 44.722 14.751 -15.546 185 H LEU 24 HN LEU 24 40.601 16.328 -9.997 186 HA LEU 24 HA LEU 24 42.297 13.989 -9.870 187 HB2 LEU 24 HB2 LEU 24 44.132 15.511 -10.242 188 HB3 LEU 24 HB1 LEU 24 43.488 16.671 -9.060 189 HG LEU 24 HG LEU 24 43.962 15.171 -7.214 190 HD11 LEU 24 HD11 LEU 24 43.405 13.005 -8.042 191 HD12 LEU 24 HD12 LEU 24 45.162 12.937 -7.776 192 HD13 LEU 24 HD13 LEU 24 44.520 13.152 -9.422 193 HD21 LEU 24 HD21 LEU 24 46.332 15.029 -9.125 194 HD22 LEU 24 HD22 LEU 24 46.378 15.066 -7.347 195 HD23 LEU 24 HD23 LEU 24 45.855 16.505 -8.254 Start of MODEL 29 1 H1 GLY 1 HT1 GLY 1 55.595 -3.759 5.229 2 H2 GLY 1 HT2 GLY 1 54.176 -3.027 5.812 3 H3 GLY 1 HT3 GLY 1 55.532 -2.077 5.425 4 HA2 GLY 1 HA1 GLY 1 55.290 -3.064 3.112 5 HA3 GLY 1 HA2 GLY 1 53.647 -3.449 3.663 6 H LYS 2 HN LYS 2 53.969 -1.801 1.518 7 HA LYS 2 HA LYS 2 54.063 0.999 2.286 8 HB2 LYS 2 HB2 LYS 2 52.812 -0.240 -0.198 9 HB3 LYS 2 HB1 LYS 2 53.374 1.438 0.006 10 HG2 LYS 2 HG2 LYS 2 55.691 0.573 0.407 11 HG3 LYS 2 HG1 LYS 2 55.103 -1.075 0.076 12 HD2 LYS 2 HD2 LYS 2 54.415 -0.401 -2.190 13 HD3 LYS 2 HD1 LYS 2 54.935 1.271 -1.867 14 HE2 LYS 2 HE2 LYS 2 56.755 -1.177 -1.793 15 HE3 LYS 2 HE1 LYS 2 56.659 -0.012 -3.136 16 HZ1 LYS 2 HZ1 LYS 2 57.060 1.668 -1.156 17 HZ2 LYS 2 HZ2 LYS 2 58.351 0.901 -1.954 18 HZ3 LYS 2 HZ3 LYS 2 57.803 0.312 -0.458 19 H GLY 3 HN GLY 3 51.606 1.509 0.497 20 HA2 GLY 3 HA1 GLY 3 49.441 2.399 1.106 21 HA3 GLY 3 HA2 GLY 3 49.187 0.656 1.640 22 H ARG 4 HN ARG 4 50.633 3.438 1.770 23 HA ARG 4 HA ARG 4 49.022 4.523 2.901 24 HB2 ARG 4 HB2 ARG 4 50.498 3.367 5.240 25 HB3 ARG 4 HB1 ARG 4 50.111 5.089 5.422 26 HG2 ARG 4 HG2 ARG 4 47.672 3.789 4.532 27 HG3 ARG 4 HG1 ARG 4 48.345 2.792 5.835 28 HD2 ARG 4 HD2 ARG 4 47.941 5.803 6.055 29 HD3 ARG 4 HD1 ARG 4 46.778 4.589 6.635 30 HE ARG 4 HE ARG 4 49.190 5.371 7.998 31 HH11 ARG 4 HH11 ARG 4 46.580 3.719 8.748 32 HH12 ARG 4 HH12 ARG 4 47.341 2.313 9.418 33 HH21 ARG 4 HH21 ARG 4 50.483 3.094 8.176 34 HH22 ARG 4 HH22 ARG 4 49.550 1.959 9.093 35 H TRP 5 HN TRP 5 52.108 4.095 2.163 36 HA TRP 5 HA TRP 5 53.713 6.197 2.970 37 HB2 TRP 5 HB2 TRP 5 54.292 4.430 1.261 38 HB3 TRP 5 HB1 TRP 5 53.382 5.378 0.060 39 HD1 TRP 5 HD1 TRP 5 56.126 6.170 2.702 40 HE1 TRP 5 HE1 TRP 5 57.884 7.760 1.631 41 HE3 TRP 5 HE3 TRP 5 54.045 6.658 -1.950 42 HZ2 TRP 5 HZ2 TRP 5 58.298 9.053 -0.909 43 HZ3 TRP 5 HZ3 TRP 5 55.138 8.075 -3.681 44 HH2 TRP 5 HH2 TRP 5 57.261 9.272 -3.165 45 H LEU 6 HN LEU 6 50.720 6.384 1.282 46 HA LEU 6 HA LEU 6 51.151 9.295 0.645 47 HB2 LEU 6 HB2 LEU 6 48.990 7.445 -0.426 48 HB3 LEU 6 HB1 LEU 6 49.415 9.073 -1.002 49 HG LEU 6 HG LEU 6 51.262 6.642 -1.099 50 HD11 LEU 6 HD11 LEU 6 49.815 8.067 -3.372 51 HD12 LEU 6 HD12 LEU 6 49.241 6.558 -2.622 52 HD13 LEU 6 HD13 LEU 6 50.800 6.589 -3.482 53 HD21 LEU 6 HD21 LEU 6 52.651 8.574 -1.008 54 HD22 LEU 6 HD22 LEU 6 51.522 9.546 -1.984 55 HD23 LEU 6 HD23 LEU 6 52.483 8.258 -2.749 56 H GLU 7 HN GLU 7 49.453 7.001 2.694 57 HA GLU 7 HA GLU 7 47.446 9.142 3.422 58 HB2 GLU 7 HB2 GLU 7 47.516 6.124 3.768 59 HB3 GLU 7 HB1 GLU 7 46.379 7.152 4.673 60 HG2 GLU 7 HG2 GLU 7 45.364 6.266 2.578 61 HG3 GLU 7 HG1 GLU 7 45.480 8.042 2.555 62 H ARG 8 HN ARG 8 50.324 9.116 4.165 63 HA ARG 8 HA ARG 8 50.874 8.208 6.742 64 HB2 ARG 8 HB2 ARG 8 51.607 10.893 5.509 65 HB3 ARG 8 HB1 ARG 8 52.380 10.183 6.948 66 HG2 ARG 8 HG2 ARG 8 53.048 8.203 5.609 67 HG3 ARG 8 HG1 ARG 8 52.288 8.925 4.169 68 HD2 ARG 8 HD2 ARG 8 54.576 10.152 5.771 69 HD3 ARG 8 HD1 ARG 8 54.731 9.346 4.193 70 HE ARG 8 HE ARG 8 52.787 11.417 3.943 71 HH11 ARG 8 HH11 ARG 8 53.747 12.664 2.148 72 HH12 ARG 8 HH12 ARG 8 55.276 13.409 2.480 73 HH21 ARG 8 HH21 ARG 8 55.803 11.636 5.413 74 HH22 ARG 8 HH22 ARG 8 56.440 12.826 4.327 75 H ILE 9 HN ILE 9 49.896 11.613 6.154 76 HA ILE 9 HA ILE 9 49.150 12.104 8.852 77 HB ILE 9 HB ILE 9 47.835 14.036 7.920 78 HG12 ILE 9 HG12 ILE 9 48.672 12.788 5.260 79 HG13 ILE 9 HG11 ILE 9 47.008 12.917 5.875 80 HG21 ILE 9 HG21 ILE 9 50.384 14.021 8.264 81 HG22 ILE 9 HG22 ILE 9 49.758 15.234 7.125 82 HG23 ILE 9 HG23 ILE 9 50.521 13.747 6.511 83 HD11 ILE 9 HD1 ILE 9 48.861 15.136 4.946 84 HD12 ILE 9 HD2 ILE 9 47.474 15.483 6.009 85 HD13 ILE 9 HD3 ILE 9 47.209 14.765 4.403 86 H GLY 10 HN GLY 10 47.725 10.025 6.642 87 HA2 GLY 10 HA1 GLY 10 45.659 8.986 6.545 88 HA3 GLY 10 HA2 GLY 10 45.639 9.205 8.307 89 H LYS 11 HN LYS 11 45.426 11.473 5.534 90 HA LYS 11 HA LYS 11 42.619 12.035 6.030 91 HB2 LYS 11 HB2 LYS 11 43.730 13.201 7.980 92 HB3 LYS 11 HB1 LYS 11 44.579 14.229 6.800 93 HG2 LYS 11 HG2 LYS 11 42.407 14.976 5.877 94 HG3 LYS 11 HG1 LYS 11 41.552 13.944 7.048 95 HD2 LYS 11 HD2 LYS 11 42.394 15.222 8.916 96 HD3 LYS 11 HD1 LYS 11 43.513 16.125 7.866 97 HE2 LYS 11 HE2 LYS 11 41.625 17.157 6.683 98 HE3 LYS 11 HE1 LYS 11 40.472 16.201 7.646 99 HZ1 LYS 11 HZ1 LYS 11 40.753 17.513 9.433 100 HZ2 LYS 11 HZ2 LYS 11 41.284 18.661 8.299 101 HZ3 LYS 11 HZ3 LYS 11 42.414 17.737 9.168 102 H ALA 12 HN ALA 12 42.992 11.390 3.735 103 HA ALA 12 HA ALA 12 44.360 13.317 2.002 104 HB1 ALA 12 HB1 ALA 12 43.277 11.905 0.194 105 HB2 ALA 12 HB2 ALA 12 42.572 10.919 1.497 106 HB3 ALA 12 HB3 ALA 12 44.339 11.024 1.316 107 H GLY 13 HN GLY 13 42.922 15.038 3.215 108 HA2 GLY 13 HA1 GLY 13 41.146 16.529 3.119 109 HA3 GLY 13 HA2 GLY 13 41.297 16.310 1.364 110 H PHE 14 HN PHE 14 40.213 14.146 4.008 111 HA PHE 14 HA PHE 14 38.232 12.993 4.289 112 HB2 PHE 14 HB2 PHE 14 37.313 15.400 4.035 113 HB3 PHE 14 HB1 PHE 14 36.888 14.936 2.372 114 HD1 PHE 14 HD1 PHE 14 36.458 13.916 5.964 115 HD2 PHE 14 HD2 PHE 14 34.901 13.684 1.944 116 HE1 PHE 14 HE1 PHE 14 34.409 12.789 6.822 117 HE2 PHE 14 HE2 PHE 14 32.852 12.557 2.804 118 HZ PHE 14 HZ PHE 14 32.582 12.161 5.249 119 H ILE 15 HN ILE 15 39.979 11.908 2.537 120 HA ILE 15 HA ILE 15 40.161 10.481 0.725 121 HB ILE 15 HB ILE 15 37.156 10.091 1.035 122 HG12 ILE 15 HG12 ILE 15 38.022 9.884 3.261 123 HG13 ILE 15 HG11 ILE 15 37.846 8.226 2.659 124 HG21 ILE 15 HG21 ILE 15 37.933 7.669 0.413 125 HG22 ILE 15 HG22 ILE 15 39.427 8.450 -0.149 126 HG23 ILE 15 HG23 ILE 15 37.867 8.895 -0.870 127 HD11 ILE 15 HD1 ILE 15 40.342 8.398 1.973 128 HD12 ILE 15 HD2 ILE 15 39.985 8.281 3.708 129 HD13 ILE 15 HD3 ILE 15 40.391 9.855 2.988 130 H ILE 16 HN ILE 16 40.458 12.664 -0.383 131 HA ILE 16 HA ILE 16 38.569 12.753 -2.725 132 HB ILE 16 HB ILE 16 39.728 15.095 -1.153 133 HG12 ILE 16 HG12 ILE 16 37.652 14.170 -0.210 134 HG13 ILE 16 HG11 ILE 16 37.361 15.778 -0.902 135 HG21 ILE 16 HG21 ILE 16 38.713 14.936 -3.993 136 HG22 ILE 16 HG22 ILE 16 39.968 15.979 -3.289 137 HG23 ILE 16 HG23 ILE 16 38.251 16.365 -3.035 138 HD11 ILE 16 HD1 ILE 16 36.665 14.361 -3.069 139 HD12 ILE 16 HD2 ILE 16 35.519 14.599 -1.739 140 HD13 ILE 16 HD3 ILE 16 36.414 13.073 -1.873 141 H ILE 17 HN ILE 17 41.651 14.225 -1.552 142 HA ILE 17 HA ILE 17 42.775 14.204 -4.214 143 HB ILE 17 HB ILE 17 43.642 15.763 -2.519 144 HG12 ILE 17 HG12 ILE 17 46.042 15.395 -2.781 145 HG13 ILE 17 HG11 ILE 17 45.792 13.670 -3.122 146 HG21 ILE 17 HG21 ILE 17 44.767 15.022 -0.517 147 HG22 ILE 17 HG22 ILE 17 44.711 13.323 -1.045 148 HG23 ILE 17 HG23 ILE 17 43.210 14.165 -0.591 149 HD11 ILE 17 HD1 ILE 17 44.470 15.784 -4.858 150 HD12 ILE 17 HD2 ILE 17 44.876 14.097 -5.261 151 HD13 ILE 17 HD3 ILE 17 46.164 15.317 -5.134 152 H GLY 18 HN GLY 18 42.654 11.965 -1.518 153 HA2 GLY 18 HA1 GLY 18 44.649 10.139 -2.704 154 HA3 GLY 18 HA2 GLY 18 43.715 9.891 -1.213 155 H GLY 19 HN GLY 19 41.129 10.154 -2.001 156 HA2 GLY 19 HA1 GLY 19 40.579 7.613 -3.153 157 HA3 GLY 19 HA2 GLY 19 39.414 8.940 -2.965 158 H ALA 20 HN ALA 20 40.570 10.895 -4.580 159 HA ALA 20 HA ALA 20 39.710 9.952 -7.188 160 HB1 ALA 20 HB1 ALA 20 40.207 12.192 -7.937 161 HB2 ALA 20 HB2 ALA 20 41.218 12.497 -6.503 162 HB3 ALA 20 HB3 ALA 20 39.457 12.300 -6.327 163 H LEU 21 HN LEU 21 42.817 11.534 -6.338 164 HA LEU 21 HA LEU 21 44.937 11.197 -7.213 165 HB2 LEU 21 HB2 LEU 21 44.534 9.083 -5.831 166 HB3 LEU 21 HB1 LEU 21 44.125 8.272 -7.357 167 HG LEU 21 HG LEU 21 46.459 9.232 -8.190 168 HD11 LEU 21 HD11 LEU 21 46.986 10.645 -6.266 169 HD12 LEU 21 HD12 LEU 21 48.126 9.285 -6.295 170 HD13 LEU 21 HD13 LEU 21 46.768 9.278 -5.150 171 HD21 LEU 21 HD21 LEU 21 45.983 6.838 -7.942 172 HD22 LEU 21 HD22 LEU 21 46.217 6.946 -6.181 173 HD23 LEU 21 HD23 LEU 21 47.596 7.193 -7.279 174 H ASP 22 HN ASP 22 44.302 12.347 -9.167 175 HA ASP 22 HA ASP 22 44.820 10.691 -11.542 176 HB2 ASP 22 HB2 ASP 22 42.137 12.069 -11.144 177 HB3 ASP 22 HB1 ASP 22 42.748 11.526 -12.725 178 H HIS 23 HN HIS 23 43.169 13.827 -10.941 179 HA HIS 23 HA HIS 23 45.554 15.359 -11.608 180 HB2 HIS 23 HB2 HIS 23 44.603 16.369 -13.702 181 HB3 HIS 23 HB1 HIS 23 45.054 14.658 -13.877 182 HD1 HIS 23 HD1 HIS 23 41.882 16.371 -12.513 183 HD2 HIS 23 HD2 HIS 23 43.036 13.437 -15.295 184 HE1 HIS 23 HE1 HIS 23 39.748 15.435 -13.561 185 H LEU 24 HN LEU 24 43.663 15.262 -9.467 186 HA LEU 24 HA LEU 24 43.034 18.087 -9.323 187 HB2 LEU 24 HB2 LEU 24 41.142 16.943 -10.772 188 HB3 LEU 24 HB1 LEU 24 40.556 16.338 -9.208 189 HG LEU 24 HG LEU 24 41.025 19.264 -9.954 190 HD11 LEU 24 HD11 LEU 24 38.438 17.798 -9.285 191 HD12 LEU 24 HD12 LEU 24 39.008 18.081 -10.947 192 HD13 LEU 24 HD13 LEU 24 38.614 19.462 -9.895 193 HD21 LEU 24 HD21 LEU 24 40.244 17.885 -7.353 194 HD22 LEU 24 HD22 LEU 24 39.767 19.569 -7.685 195 HD23 LEU 24 HD23 LEU 24 41.488 19.129 -7.624 Start of MODEL 30 1 H1 GLY 1 HT1 GLY 1 55.386 0.581 -2.612 2 H2 GLY 1 HT2 GLY 1 56.014 -0.468 -1.431 3 H3 GLY 1 HT3 GLY 1 56.424 -0.679 -3.066 4 HA2 GLY 1 HA1 GLY 1 58.016 0.476 -1.396 5 HA3 GLY 1 HA2 GLY 1 57.900 0.965 -3.097 6 H LYS 2 HN LYS 2 57.736 1.977 0.120 7 HA LYS 2 HA LYS 2 57.114 3.981 1.109 8 HB2 LYS 2 HB2 LYS 2 57.437 5.100 -1.702 9 HB3 LYS 2 HB1 LYS 2 57.567 5.993 -0.167 10 HG2 LYS 2 HG2 LYS 2 59.469 4.425 0.468 11 HG3 LYS 2 HG1 LYS 2 59.417 3.806 -1.201 12 HD2 LYS 2 HD2 LYS 2 59.846 6.062 -2.081 13 HD3 LYS 2 HD1 LYS 2 59.828 6.729 -0.431 14 HE2 LYS 2 HE2 LYS 2 61.765 4.586 -1.410 15 HE3 LYS 2 HE1 LYS 2 62.151 6.320 -1.294 16 HZ1 LYS 2 HZ1 LYS 2 61.853 4.333 0.812 17 HZ2 LYS 2 HZ2 LYS 2 61.164 5.852 1.140 18 HZ3 LYS 2 HZ3 LYS 2 62.816 5.729 0.758 19 H GLY 3 HN GLY 3 55.731 6.220 0.166 20 HA2 GLY 3 HA1 GLY 3 53.541 6.828 -0.787 21 HA3 GLY 3 HA2 GLY 3 53.007 5.087 -0.685 22 H ARG 4 HN ARG 4 53.485 4.031 0.921 23 HA ARG 4 HA ARG 4 51.183 4.599 1.420 24 HB2 ARG 4 HB2 ARG 4 52.797 2.682 3.172 25 HB3 ARG 4 HB1 ARG 4 51.017 2.734 3.134 26 HG2 ARG 4 HG2 ARG 4 51.028 2.283 0.713 27 HG3 ARG 4 HG1 ARG 4 52.807 2.293 0.703 28 HD2 ARG 4 HD2 ARG 4 52.756 0.398 2.378 29 HD3 ARG 4 HD1 ARG 4 50.992 0.325 2.157 30 HE ARG 4 HE ARG 4 52.292 0.187 -0.406 31 HH11 ARG 4 HH11 ARG 4 52.197 -1.824 -1.441 32 HH12 ARG 4 HH12 ARG 4 52.072 -3.265 -0.489 33 HH21 ARG 4 HH21 ARG 4 51.927 -1.574 2.534 34 HH22 ARG 4 HH22 ARG 4 51.921 -3.124 1.761 35 H TRP 5 HN TRP 5 53.699 5.964 2.809 36 HA TRP 5 HA TRP 5 53.416 6.447 5.533 37 HB2 TRP 5 HB2 TRP 5 53.864 8.588 3.420 38 HB3 TRP 5 HB1 TRP 5 54.308 8.706 5.140 39 HD1 TRP 5 HD1 TRP 5 55.425 7.242 1.846 40 HE1 TRP 5 HE1 TRP 5 57.726 6.060 2.116 41 HE3 TRP 5 HE3 TRP 5 55.789 7.336 6.953 42 HZ2 TRP 5 HZ2 TRP 5 59.463 5.277 4.273 43 HZ3 TRP 5 HZ3 TRP 5 57.778 6.366 8.095 44 HH2 TRP 5 HH2 TRP 5 59.613 5.338 6.762 45 H LEU 6 HN LEU 6 51.146 7.221 3.045 46 HA LEU 6 HA LEU 6 49.540 8.938 4.930 47 HB2 LEU 6 HB2 LEU 6 49.148 8.649 1.931 48 HB3 LEU 6 HB1 LEU 6 48.507 9.907 3.015 49 HG LEU 6 HG LEU 6 51.455 9.462 2.353 50 HD11 LEU 6 HD11 LEU 6 49.482 11.638 1.524 51 HD12 LEU 6 HD12 LEU 6 50.164 10.383 0.462 52 HD13 LEU 6 HD13 LEU 6 51.224 11.632 1.158 53 HD21 LEU 6 HD21 LEU 6 49.975 11.424 4.159 54 HD22 LEU 6 HD22 LEU 6 51.590 11.787 3.503 55 HD23 LEU 6 HD23 LEU 6 51.358 10.378 4.561 56 H GLU 7 HN GLU 7 49.675 5.863 3.220 57 HA GLU 7 HA GLU 7 46.979 5.246 2.857 58 HB2 GLU 7 HB2 GLU 7 49.014 3.776 2.406 59 HB3 GLU 7 HB1 GLU 7 48.962 3.326 4.128 60 HG2 GLU 7 HG2 GLU 7 46.673 2.476 3.870 61 HG3 GLU 7 HG1 GLU 7 46.643 3.001 2.169 62 H ARG 8 HN ARG 8 48.611 5.912 5.834 63 HA ARG 8 HA ARG 8 47.132 4.430 7.708 64 HB2 ARG 8 HB2 ARG 8 49.054 5.933 8.236 65 HB3 ARG 8 HB1 ARG 8 47.991 7.337 7.976 66 HG2 ARG 8 HG2 ARG 8 46.525 6.640 9.791 67 HG3 ARG 8 HG1 ARG 8 47.423 5.114 9.984 68 HD2 ARG 8 HD2 ARG 8 48.173 6.667 11.703 69 HD3 ARG 8 HD1 ARG 8 49.483 6.471 10.516 70 HE ARG 8 HE ARG 8 47.833 8.708 9.775 71 HH11 ARG 8 HH11 ARG 8 50.191 7.613 12.040 72 HH12 ARG 8 HH12 ARG 8 50.799 9.200 12.376 73 HH21 ARG 8 HH21 ARG 8 48.597 10.788 10.221 74 HH22 ARG 8 HH22 ARG 8 49.896 10.997 11.346 75 H ILE 9 HN ILE 9 46.445 7.883 7.020 76 HA ILE 9 HA ILE 9 43.736 7.631 8.011 77 HB ILE 9 HB ILE 9 44.933 9.762 8.151 78 HG12 ILE 9 HG12 ILE 9 42.623 10.005 6.175 79 HG13 ILE 9 HG11 ILE 9 42.425 9.717 7.918 80 HG21 ILE 9 HG21 ILE 9 44.724 10.134 5.142 81 HG22 ILE 9 HG22 ILE 9 46.132 9.305 5.847 82 HG23 ILE 9 HG23 ILE 9 45.759 10.979 6.314 83 HD11 ILE 9 HD1 ILE 9 42.207 12.099 7.540 84 HD12 ILE 9 HD2 ILE 9 43.702 12.136 6.575 85 HD13 ILE 9 HD3 ILE 9 43.780 11.824 8.327 86 H GLY 10 HN GLY 10 45.005 8.327 4.717 87 HA2 GLY 10 HA1 GLY 10 43.972 8.072 2.658 88 HA3 GLY 10 HA2 GLY 10 43.619 6.448 3.272 89 H LYS 11 HN LYS 11 42.270 9.548 4.453 90 HA LYS 11 HA LYS 11 39.536 8.469 3.846 91 HB2 LYS 11 HB2 LYS 11 40.504 10.798 5.553 92 HB3 LYS 11 HB1 LYS 11 38.790 10.451 5.232 93 HG2 LYS 11 HG2 LYS 11 39.092 8.165 6.183 94 HG3 LYS 11 HG1 LYS 11 40.783 8.566 6.565 95 HD2 LYS 11 HD2 LYS 11 40.030 10.425 8.009 96 HD3 LYS 11 HD1 LYS 11 38.335 10.046 7.619 97 HE2 LYS 11 HE2 LYS 11 38.996 9.053 9.795 98 HE3 LYS 11 HE1 LYS 11 38.604 7.792 8.602 99 HZ1 LYS 11 HZ1 LYS 11 41.352 8.764 9.207 100 HZ2 LYS 11 HZ2 LYS 11 40.936 7.491 8.163 101 HZ3 LYS 11 HZ3 LYS 11 40.669 7.343 9.834 102 H ALA 12 HN ALA 12 41.885 10.235 2.352 103 HA ALA 12 HA ALA 12 41.804 11.506 0.415 104 HB1 ALA 12 HB1 ALA 12 39.535 10.194 0.105 105 HB2 ALA 12 HB2 ALA 12 39.871 11.630 -0.889 106 HB3 ALA 12 HB3 ALA 12 38.792 11.756 0.520 107 H GLY 13 HN GLY 13 39.860 12.368 3.218 108 HA2 GLY 13 HA1 GLY 13 39.269 14.455 4.087 109 HA3 GLY 13 HA2 GLY 13 40.999 14.763 3.845 110 H PHE 14 HN PHE 14 37.907 14.728 2.035 111 HA PHE 14 HA PHE 14 37.087 16.209 0.450 112 HB2 PHE 14 HB2 PHE 14 39.187 18.215 1.350 113 HB3 PHE 14 HB1 PHE 14 37.599 18.532 0.618 114 HD1 PHE 14 HD1 PHE 14 39.403 17.792 3.723 115 HD2 PHE 14 HD2 PHE 14 35.499 18.041 1.899 116 HE1 PHE 14 HE1 PHE 14 38.352 17.856 5.982 117 HE2 PHE 14 HE2 PHE 14 34.448 18.104 4.158 118 HZ PHE 14 HZ PHE 14 35.871 17.922 6.196 119 H ILE 15 HN ILE 15 38.468 14.367 -0.637 120 HA ILE 15 HA ILE 15 40.037 13.721 -2.215 121 HB ILE 15 HB ILE 15 39.865 15.132 -4.369 122 HG12 ILE 15 HG12 ILE 15 37.726 16.573 -2.723 123 HG13 ILE 15 HG11 ILE 15 39.284 17.290 -3.191 124 HG21 ILE 15 HG21 ILE 15 37.635 14.307 -4.844 125 HG22 ILE 15 HG22 ILE 15 37.222 14.273 -3.115 126 HG23 ILE 15 HG23 ILE 15 38.422 13.132 -3.769 127 HD11 ILE 15 HD1 ILE 15 37.843 18.062 -4.885 128 HD12 ILE 15 HD2 ILE 15 36.930 16.539 -4.943 129 HD13 ILE 15 HD3 ILE 15 38.566 16.623 -5.641 130 H ILE 16 HN ILE 16 41.904 13.992 -0.941 131 HA ILE 16 HA ILE 16 43.725 16.112 -2.049 132 HB ILE 16 HB ILE 16 43.663 15.222 0.872 133 HG12 ILE 16 HG12 ILE 16 41.775 16.814 0.044 134 HG13 ILE 16 HG11 ILE 16 42.702 17.299 1.472 135 HG21 ILE 16 HG21 ILE 16 45.912 15.715 0.216 136 HG22 ILE 16 HG22 ILE 16 45.323 17.146 1.090 137 HG23 ILE 16 HG23 ILE 16 45.410 17.162 -0.689 138 HD11 ILE 16 HD1 ILE 16 42.297 19.138 -0.245 139 HD12 ILE 16 HD2 ILE 16 43.378 18.261 -1.345 140 HD13 ILE 16 HD3 ILE 16 43.997 18.887 0.197 141 H ILE 17 HN ILE 17 43.318 13.005 -0.339 142 HA ILE 17 HA ILE 17 46.082 12.200 -1.154 143 HB ILE 17 HB ILE 17 44.041 10.624 0.485 144 HG12 ILE 17 HG12 ILE 17 45.923 11.389 2.326 145 HG13 ILE 17 HG11 ILE 17 46.023 12.793 1.244 146 HG21 ILE 17 HG21 ILE 17 45.775 9.247 -0.575 147 HG22 ILE 17 HG22 ILE 17 46.094 9.356 1.169 148 HG23 ILE 17 HG23 ILE 17 47.046 10.335 0.028 149 HD11 ILE 17 HD1 ILE 17 44.377 13.361 2.872 150 HD12 ILE 17 HD2 ILE 17 43.615 11.756 2.783 151 HD13 ILE 17 HD3 ILE 17 43.443 12.898 1.433 152 H GLY 18 HN GLY 18 42.976 10.408 -1.016 153 HA2 GLY 18 HA1 GLY 18 43.667 8.676 -3.170 154 HA3 GLY 18 HA2 GLY 18 42.029 8.957 -2.546 155 H GLY 19 HN GLY 19 41.725 11.675 -3.073 156 HA2 GLY 19 HA1 GLY 19 41.139 11.549 -5.931 157 HA3 GLY 19 HA2 GLY 19 40.793 12.893 -4.825 158 H ALA 20 HN ALA 20 43.277 13.530 -3.841 159 HA ALA 20 HA ALA 20 45.101 14.846 -4.397 160 HB1 ALA 20 HB1 ALA 20 45.877 12.594 -5.223 161 HB2 ALA 20 HB2 ALA 20 46.625 13.987 -6.041 162 HB3 ALA 20 HB3 ALA 20 45.328 13.072 -6.846 163 H LEU 21 HN LEU 21 42.286 15.003 -5.924 164 HA LEU 21 HA LEU 21 41.343 16.446 -7.473 165 HB2 LEU 21 HB2 LEU 21 42.421 18.045 -5.803 166 HB3 LEU 21 HB1 LEU 21 43.779 18.181 -6.937 167 HG LEU 21 HG LEU 21 41.954 18.791 -8.723 168 HD11 LEU 21 HD11 LEU 21 39.916 18.263 -7.545 169 HD12 LEU 21 HD12 LEU 21 40.002 20.033 -7.615 170 HD13 LEU 21 HD13 LEU 21 40.423 19.185 -6.112 171 HD21 LEU 21 HD21 LEU 21 42.577 20.691 -6.417 172 HD22 LEU 21 HD22 LEU 21 42.045 21.175 -8.044 173 HD23 LEU 21 HD23 LEU 21 43.623 20.383 -7.822 174 H ASP 22 HN ASP 22 41.884 14.774 -9.103 175 HA ASP 22 HA ASP 22 43.154 16.034 -11.385 176 HB2 ASP 22 HB2 ASP 22 44.959 14.354 -11.700 177 HB3 ASP 22 HB1 ASP 22 45.211 15.346 -10.243 178 H HIS 23 HN HIS 23 40.612 15.147 -11.082 179 HA HIS 23 HA HIS 23 39.029 13.705 -11.980 180 HB2 HIS 23 HB2 HIS 23 40.258 14.510 -14.050 181 HB3 HIS 23 HB1 HIS 23 41.204 13.005 -13.989 182 HD1 HIS 23 HD1 HIS 23 37.499 13.257 -13.124 183 HD2 HIS 23 HD2 HIS 23 39.958 11.766 -16.195 184 HE1 HIS 23 HE1 HIS 23 36.022 11.859 -14.671 185 H LEU 24 HN LEU 24 41.190 12.674 -10.053 186 HA LEU 24 HA LEU 24 40.286 9.893 -10.122 187 HB2 LEU 24 HB2 LEU 24 42.224 9.977 -11.786 188 HB3 LEU 24 HB1 LEU 24 43.268 10.405 -10.414 189 HG LEU 24 HG LEU 24 42.221 8.245 -9.275 190 HD11 LEU 24 HD11 LEU 24 41.714 7.741 -12.246 191 HD12 LEU 24 HD12 LEU 24 40.511 7.726 -10.935 192 HD13 LEU 24 HD13 LEU 24 41.760 6.464 -11.010 193 HD21 LEU 24 HD21 LEU 24 44.002 6.848 -10.315 194 HD22 LEU 24 HD22 LEU 24 44.595 8.473 -9.897 195 HD23 LEU 24 HD23 LEU 24 44.207 8.074 -11.588 Start of MODEL 31 1 H1 GLY 1 HT1 GLY 1 55.514 -2.552 3.629 2 H2 GLY 1 HT2 GLY 1 56.888 -2.133 4.537 3 H3 GLY 1 HT3 GLY 1 56.893 -3.536 3.576 4 HA2 GLY 1 HA1 GLY 1 58.133 -1.956 2.436 5 HA3 GLY 1 HA2 GLY 1 56.568 -2.119 1.614 6 H LYS 2 HN LYS 2 57.698 0.074 0.910 7 HA LYS 2 HA LYS 2 57.282 2.286 2.784 8 HB2 LYS 2 HB2 LYS 2 57.630 2.509 -0.225 9 HB3 LYS 2 HB1 LYS 2 58.080 3.683 1.035 10 HG2 LYS 2 HG2 LYS 2 59.345 0.942 0.581 11 HG3 LYS 2 HG1 LYS 2 60.084 2.520 0.218 12 HD2 LYS 2 HD2 LYS 2 59.726 3.068 2.729 13 HD3 LYS 2 HD1 LYS 2 59.427 1.325 2.938 14 HE2 LYS 2 HE2 LYS 2 61.938 2.544 1.710 15 HE3 LYS 2 HE1 LYS 2 61.807 1.900 3.365 16 HZ1 LYS 2 HZ1 LYS 2 61.452 -0.258 2.558 17 HZ2 LYS 2 HZ2 LYS 2 62.720 0.350 1.604 18 HZ3 LYS 2 HZ3 LYS 2 61.143 0.270 0.976 19 H GLY 3 HN GLY 3 54.965 0.507 2.120 20 HA2 GLY 3 HA1 GLY 3 53.035 1.546 0.391 21 HA3 GLY 3 HA2 GLY 3 52.599 1.026 2.082 22 H ARG 4 HN ARG 4 53.433 1.942 3.616 23 HA ARG 4 HA ARG 4 51.273 3.038 3.563 24 HB2 ARG 4 HB2 ARG 4 53.291 3.504 5.810 25 HB3 ARG 4 HB1 ARG 4 51.549 3.841 5.965 26 HG2 ARG 4 HG2 ARG 4 50.983 1.526 5.533 27 HG3 ARG 4 HG1 ARG 4 52.666 1.142 5.096 28 HD2 ARG 4 HD2 ARG 4 52.199 0.382 7.390 29 HD3 ARG 4 HD1 ARG 4 53.380 1.713 7.416 30 HE ARG 4 HE ARG 4 51.794 2.970 8.621 31 HH11 ARG 4 HH11 ARG 4 49.604 3.810 8.602 32 HH12 ARG 4 HH12 ARG 4 48.321 2.654 8.464 33 HH21 ARG 4 HH21 ARG 4 50.425 0.013 7.679 34 HH22 ARG 4 HH22 ARG 4 48.786 0.507 7.941 35 H TRP 5 HN TRP 5 53.982 4.384 2.576 36 HA TRP 5 HA TRP 5 54.283 7.057 3.261 37 HB2 TRP 5 HB2 TRP 5 55.627 5.928 1.526 38 HB3 TRP 5 HB1 TRP 5 54.234 5.964 0.418 39 HD1 TRP 5 HD1 TRP 5 53.465 8.342 -0.519 40 HE1 TRP 5 HE1 TRP 5 54.710 10.610 -0.788 41 HE3 TRP 5 HE3 TRP 5 57.439 7.458 2.588 42 HZ2 TRP 5 HZ2 TRP 5 57.106 11.843 0.223 43 HZ3 TRP 5 HZ3 TRP 5 59.192 9.195 2.920 44 HH2 TRP 5 HH2 TRP 5 59.030 11.384 1.743 45 H LEU 6 HN LEU 6 51.470 5.611 1.887 46 HA LEU 6 HA LEU 6 50.225 8.331 1.563 47 HB2 LEU 6 HB2 LEU 6 50.770 6.958 -0.610 48 HB3 LEU 6 HB1 LEU 6 49.414 5.930 -0.105 49 HG LEU 6 HG LEU 6 48.122 8.257 0.144 50 HD11 LEU 6 HD11 LEU 6 48.873 9.887 -1.605 51 HD12 LEU 6 HD12 LEU 6 50.348 8.924 -1.839 52 HD13 LEU 6 HD13 LEU 6 50.047 9.726 -0.283 53 HD21 LEU 6 HD21 LEU 6 47.471 8.099 -2.288 54 HD22 LEU 6 HD22 LEU 6 47.446 6.533 -1.443 55 HD23 LEU 6 HD23 LEU 6 48.800 6.940 -2.525 56 H GLU 7 HN GLU 7 50.236 5.311 3.179 57 HA GLU 7 HA GLU 7 47.292 5.262 3.583 58 HB2 GLU 7 HB2 GLU 7 48.745 3.181 3.369 59 HB3 GLU 7 HB1 GLU 7 49.430 3.591 4.957 60 HG2 GLU 7 HG2 GLU 7 47.284 3.381 6.037 61 HG3 GLU 7 HG1 GLU 7 46.435 3.279 4.476 62 H ARG 8 HN ARG 8 49.936 6.943 4.817 63 HA ARG 8 HA ARG 8 49.518 6.943 7.611 64 HB2 ARG 8 HB2 ARG 8 51.415 8.067 6.502 65 HB3 ARG 8 HB1 ARG 8 50.307 9.286 5.831 66 HG2 ARG 8 HG2 ARG 8 49.726 10.084 8.046 67 HG3 ARG 8 HG1 ARG 8 50.600 8.737 8.814 68 HD2 ARG 8 HD2 ARG 8 51.846 10.945 7.116 69 HD3 ARG 8 HD1 ARG 8 51.956 10.798 8.887 70 HE ARG 8 HE ARG 8 52.915 8.368 7.777 71 HH11 ARG 8 HH11 ARG 8 54.812 8.600 6.239 72 HH12 ARG 8 HH12 ARG 8 56.009 9.738 6.760 73 HH21 ARG 8 HH21 ARG 8 53.966 11.195 9.152 74 HH22 ARG 8 HH22 ARG 8 55.530 11.207 8.409 75 H ILE 9 HN ILE 9 48.589 9.840 5.753 76 HA ILE 9 HA ILE 9 46.350 10.302 7.590 77 HB ILE 9 HB ILE 9 45.929 12.311 6.153 78 HG12 ILE 9 HG12 ILE 9 48.312 11.219 4.581 79 HG13 ILE 9 HG11 ILE 9 46.639 11.329 3.988 80 HG21 ILE 9 HG21 ILE 9 47.889 13.506 6.855 81 HG22 ILE 9 HG22 ILE 9 48.897 12.039 6.785 82 HG23 ILE 9 HG23 ILE 9 47.659 12.211 8.052 83 HD11 ILE 9 HD1 ILE 9 46.827 13.872 4.549 84 HD12 ILE 9 HD2 ILE 9 47.674 13.268 3.105 85 HD13 ILE 9 HD3 ILE 9 48.582 13.578 4.601 86 H GLY 10 HN GLY 10 46.520 7.964 5.531 87 HA2 GLY 10 HA1 GLY 10 44.697 8.172 3.474 88 HA3 GLY 10 HA2 GLY 10 44.852 6.726 4.489 89 H LYS 11 HN LYS 11 43.059 9.680 3.864 90 HA LYS 11 HA LYS 11 40.692 8.503 5.197 91 HB2 LYS 11 HB2 LYS 11 41.955 11.115 6.122 92 HB3 LYS 11 HB1 LYS 11 40.296 10.614 6.523 93 HG2 LYS 11 HG2 LYS 11 41.348 8.442 7.450 94 HG3 LYS 11 HG1 LYS 11 42.912 9.278 7.331 95 HD2 LYS 11 HD2 LYS 11 40.493 10.330 8.867 96 HD3 LYS 11 HD1 LYS 11 41.867 9.476 9.603 97 HE2 LYS 11 HE2 LYS 11 42.421 11.759 9.901 98 HE3 LYS 11 HE1 LYS 11 43.340 11.314 8.445 99 HZ1 LYS 11 HZ1 LYS 11 40.903 12.053 7.479 100 HZ2 LYS 11 HZ2 LYS 11 42.296 13.024 7.502 101 HZ3 LYS 11 HZ3 LYS 11 41.149 13.151 8.748 102 H ALA 12 HN ALA 12 42.168 10.211 2.734 103 HA ALA 12 HA ALA 12 41.329 11.476 0.987 104 HB1 ALA 12 HB1 ALA 12 38.593 10.475 1.838 105 HB2 ALA 12 HB2 ALA 12 39.759 9.471 0.943 106 HB3 ALA 12 HB3 ALA 12 39.127 10.967 0.212 107 H GLY 13 HN GLY 13 41.960 13.042 2.969 108 HA2 GLY 13 HA1 GLY 13 40.148 14.491 4.447 109 HA3 GLY 13 HA2 GLY 13 41.555 15.230 3.658 110 H PHE 14 HN PHE 14 38.111 14.558 3.453 111 HA PHE 14 HA PHE 14 36.453 15.508 2.131 112 HB2 PHE 14 HB2 PHE 14 38.440 17.817 2.140 113 HB3 PHE 14 HB1 PHE 14 36.756 17.932 1.575 114 HD1 PHE 14 HD1 PHE 14 38.964 17.656 4.508 115 HD2 PHE 14 HD2 PHE 14 34.863 17.610 3.161 116 HE1 PHE 14 HE1 PHE 14 38.189 17.979 6.854 117 HE2 PHE 14 HE2 PHE 14 34.089 17.935 5.505 118 HZ PHE 14 HZ PHE 14 35.751 18.129 7.351 119 H ILE 15 HN ILE 15 38.106 13.738 0.793 120 HA ILE 15 HA ILE 15 38.636 13.074 -1.347 121 HB ILE 15 HB ILE 15 37.186 15.549 -2.367 122 HG12 ILE 15 HG12 ILE 15 36.056 12.872 -1.431 123 HG13 ILE 15 HG11 ILE 15 35.746 14.464 -0.702 124 HG21 ILE 15 HG21 ILE 15 36.798 14.224 -4.332 125 HG22 ILE 15 HG22 ILE 15 37.355 12.739 -3.522 126 HG23 ILE 15 HG23 ILE 15 38.518 14.024 -3.930 127 HD11 ILE 15 HD1 ILE 15 33.842 14.097 -2.064 128 HD12 ILE 15 HD2 ILE 15 34.806 13.391 -3.381 129 HD13 ILE 15 HD3 ILE 15 34.872 15.144 -3.070 130 H ILE 16 HN ILE 16 40.862 13.643 -0.662 131 HA ILE 16 HA ILE 16 41.965 15.614 -2.613 132 HB ILE 16 HB ILE 16 41.738 16.910 -0.530 133 HG12 ILE 16 HG12 ILE 16 44.129 17.554 -0.229 134 HG13 ILE 16 HG11 ILE 16 44.633 16.095 -1.107 135 HG21 ILE 16 HG21 ILE 16 43.687 15.063 0.866 136 HG22 ILE 16 HG22 ILE 16 41.946 14.706 0.909 137 HG23 ILE 16 HG23 ILE 16 42.559 16.243 1.565 138 HD11 ILE 16 HD1 ILE 16 43.839 16.905 -3.173 139 HD12 ILE 16 HD2 ILE 16 44.410 18.400 -2.401 140 HD13 ILE 16 HD3 ILE 16 42.674 18.014 -2.410 141 H ILE 17 HN ILE 17 42.266 12.825 -0.499 142 HA ILE 17 HA ILE 17 44.912 12.139 -1.784 143 HB ILE 17 HB ILE 17 43.540 10.754 0.570 144 HG12 ILE 17 HG12 ILE 17 44.127 12.873 1.466 145 HG13 ILE 17 HG11 ILE 17 45.495 11.838 1.897 146 HG21 ILE 17 HG21 ILE 17 45.915 9.824 0.850 147 HG22 ILE 17 HG22 ILE 17 46.257 10.478 -0.769 148 HG23 ILE 17 HG23 ILE 17 44.998 9.245 -0.556 149 HD11 ILE 17 HD1 ILE 17 45.355 13.915 -0.327 150 HD12 ILE 17 HD2 ILE 17 46.649 12.700 -0.234 151 HD13 ILE 17 HD3 ILE 17 46.444 13.879 1.077 152 H GLY 18 HN GLY 18 41.603 11.046 -1.092 153 HA2 GLY 18 HA1 GLY 18 41.893 8.540 -2.517 154 HA3 GLY 18 HA2 GLY 18 40.374 9.296 -1.992 155 H GLY 19 HN GLY 19 40.015 11.525 -3.267 156 HA2 GLY 19 HA1 GLY 19 39.616 10.682 -6.018 157 HA3 GLY 19 HA2 GLY 19 39.250 12.276 -5.334 158 H ALA 20 HN ALA 20 41.894 12.814 -4.329 159 HA ALA 20 HA ALA 20 43.740 13.987 -5.118 160 HB1 ALA 20 HB1 ALA 20 45.169 12.673 -6.711 161 HB2 ALA 20 HB2 ALA 20 43.844 11.491 -6.838 162 HB3 ALA 20 HB3 ALA 20 44.649 11.761 -5.273 163 H LEU 21 HN LEU 21 41.026 14.163 -6.664 164 HA LEU 21 HA LEU 21 40.260 15.282 -8.552 165 HB2 LEU 21 HB2 LEU 21 42.988 16.625 -8.579 166 HB3 LEU 21 HB1 LEU 21 41.438 17.284 -9.153 167 HG LEU 21 HG LEU 21 42.157 16.617 -6.263 168 HD11 LEU 21 HD11 LEU 21 41.586 19.295 -7.608 169 HD12 LEU 21 HD12 LEU 21 43.218 18.675 -7.259 170 HD13 LEU 21 HD13 LEU 21 42.096 19.033 -5.923 171 HD21 LEU 21 HD21 LEU 21 39.817 16.212 -6.446 172 HD22 LEU 21 HD22 LEU 21 39.584 17.544 -7.605 173 HD23 LEU 21 HD23 LEU 21 39.913 17.898 -5.891 174 H ASP 22 HN ASP 22 42.853 16.231 -10.327 175 HA ASP 22 HA ASP 22 43.559 15.529 -12.431 176 HB2 ASP 22 HB2 ASP 22 45.034 14.257 -10.816 177 HB3 ASP 22 HB1 ASP 22 43.947 12.863 -11.021 178 H HIS 23 HN HIS 23 40.653 14.902 -11.526 179 HA HIS 23 HA HIS 23 38.809 13.810 -12.419 180 HB2 HIS 23 HB2 HIS 23 40.592 13.944 -14.881 181 HB3 HIS 23 HB1 HIS 23 38.874 13.484 -14.915 182 HD1 HIS 23 HD1 HIS 23 40.056 16.121 -12.494 183 HD2 HIS 23 HD2 HIS 23 38.086 15.901 -16.202 184 HE1 HIS 23 HE1 HIS 23 39.161 18.456 -13.019 185 H LEU 24 HN LEU 24 40.571 12.142 -11.005 186 HA LEU 24 HA LEU 24 41.427 9.813 -12.323 187 HB2 LEU 24 HB2 LEU 24 41.974 10.195 -10.001 188 HB3 LEU 24 HB1 LEU 24 40.259 10.210 -9.540 189 HG LEU 24 HG LEU 24 40.033 7.840 -10.017 190 HD11 LEU 24 HD11 LEU 24 42.189 6.567 -10.721 191 HD12 LEU 24 HD12 LEU 24 42.807 8.156 -11.229 192 HD13 LEU 24 HD13 LEU 24 41.337 7.488 -11.980 193 HD21 LEU 24 HD21 LEU 24 41.663 6.905 -8.409 194 HD22 LEU 24 HD22 LEU 24 41.036 8.469 -7.834 195 HD23 LEU 24 HD23 LEU 24 42.660 8.372 -8.556 Start of MODEL 32 1 H1 GLY 1 HT1 GLY 1 53.738 -2.135 0.015 2 H2 GLY 1 HT2 GLY 1 53.657 -3.730 0.595 3 H3 GLY 1 HT3 GLY 1 54.634 -3.357 -0.744 4 HA2 GLY 1 HA1 GLY 1 55.171 -3.165 2.038 5 HA3 GLY 1 HA2 GLY 1 56.285 -3.227 0.657 6 H LYS 2 HN LYS 2 55.662 -1.451 3.230 7 HA LYS 2 HA LYS 2 55.902 0.793 3.781 8 HB2 LYS 2 HB2 LYS 2 57.626 0.610 1.281 9 HB3 LYS 2 HB1 LYS 2 57.570 2.053 2.315 10 HG2 LYS 2 HG2 LYS 2 58.093 -0.651 3.594 11 HG3 LYS 2 HG1 LYS 2 59.415 0.153 2.724 12 HD2 LYS 2 HD2 LYS 2 57.816 1.739 4.765 13 HD3 LYS 2 HD1 LYS 2 59.061 0.603 5.327 14 HE2 LYS 2 HE2 LYS 2 60.740 1.742 3.882 15 HE3 LYS 2 HE1 LYS 2 59.494 2.901 3.362 16 HZ1 LYS 2 HZ1 LYS 2 59.921 2.506 6.240 17 HZ2 LYS 2 HZ2 LYS 2 59.449 3.902 5.393 18 HZ3 LYS 2 HZ3 LYS 2 61.073 3.406 5.379 19 H GLY 3 HN GLY 3 53.751 -0.096 1.781 20 HA2 GLY 3 HA1 GLY 3 53.105 1.735 -0.213 21 HA3 GLY 3 HA2 GLY 3 51.848 1.176 0.983 22 H ARG 4 HN ARG 4 52.137 1.571 2.912 23 HA ARG 4 HA ARG 4 50.531 3.291 2.321 24 HB2 ARG 4 HB2 ARG 4 51.414 2.883 5.222 25 HB3 ARG 4 HB1 ARG 4 49.865 3.612 4.723 26 HG2 ARG 4 HG2 ARG 4 49.308 1.546 3.458 27 HG3 ARG 4 HG1 ARG 4 50.843 0.815 3.985 28 HD2 ARG 4 HD2 ARG 4 48.531 1.695 5.765 29 HD3 ARG 4 HD1 ARG 4 49.071 0.027 5.459 30 HE ARG 4 HE ARG 4 51.249 1.585 6.518 31 HH11 ARG 4 HH11 ARG 4 48.593 -0.455 7.200 32 HH12 ARG 4 HH12 ARG 4 48.859 -0.476 8.911 33 HH21 ARG 4 HH21 ARG 4 51.459 1.815 8.801 34 HH22 ARG 4 HH22 ARG 4 50.480 0.810 9.818 35 H TRP 5 HN TRP 5 53.634 3.828 2.782 36 HA TRP 5 HA TRP 5 54.216 6.171 4.161 37 HB2 TRP 5 HB2 TRP 5 55.872 4.893 2.840 38 HB3 TRP 5 HB1 TRP 5 55.153 5.516 1.336 39 HD1 TRP 5 HD1 TRP 5 56.253 7.255 4.643 40 HE1 TRP 5 HE1 TRP 5 57.723 9.314 4.052 41 HE3 TRP 5 HE3 TRP 5 56.275 6.795 -0.457 42 HZ2 TRP 5 HZ2 TRP 5 58.755 10.567 1.673 43 HZ3 TRP 5 HZ3 TRP 5 57.511 8.433 -1.867 44 HH2 TRP 5 HH2 TRP 5 58.750 10.317 -0.807 45 H LEU 6 HN LEU 6 52.052 5.829 1.502 46 HA LEU 6 HA LEU 6 51.850 8.821 1.182 47 HB2 LEU 6 HB2 LEU 6 50.771 6.705 -0.714 48 HB3 LEU 6 HB1 LEU 6 50.996 8.444 -1.013 49 HG LEU 6 HG LEU 6 53.223 6.412 -0.530 50 HD11 LEU 6 HD11 LEU 6 52.511 7.978 -3.045 51 HD12 LEU 6 HD12 LEU 6 52.006 6.297 -2.751 52 HD13 LEU 6 HD13 LEU 6 53.736 6.697 -2.881 53 HD21 LEU 6 HD21 LEU 6 53.197 9.427 -0.964 54 HD22 LEU 6 HD22 LEU 6 54.629 8.441 -1.345 55 HD23 LEU 6 HD23 LEU 6 54.010 8.500 0.320 56 H GLU 7 HN GLU 7 50.236 5.846 2.171 57 HA GLU 7 HA GLU 7 47.579 7.235 2.223 58 HB2 GLU 7 HB2 GLU 7 48.424 4.359 2.754 59 HB3 GLU 7 HB1 GLU 7 46.757 4.965 2.901 60 HG2 GLU 7 HG2 GLU 7 46.725 5.598 0.544 61 HG3 GLU 7 HG1 GLU 7 48.445 5.171 0.369 62 H ARG 8 HN ARG 8 50.137 7.539 4.040 63 HA ARG 8 HA ARG 8 49.395 6.632 6.652 64 HB2 ARG 8 HB2 ARG 8 51.669 7.464 5.927 65 HB3 ARG 8 HB1 ARG 8 51.010 9.117 5.971 66 HG2 ARG 8 HG2 ARG 8 50.461 8.878 8.347 67 HG3 ARG 8 HG1 ARG 8 50.993 7.179 8.327 68 HD2 ARG 8 HD2 ARG 8 52.754 8.663 9.254 69 HD3 ARG 8 HD1 ARG 8 53.287 7.893 7.739 70 HE ARG 8 HE ARG 8 52.113 10.388 7.057 71 HH11 ARG 8 HH11 ARG 8 55.049 9.008 7.060 72 HH12 ARG 8 HH12 ARG 8 55.958 10.399 7.550 73 HH21 ARG 8 HH21 ARG 8 53.161 12.238 8.455 74 HH22 ARG 8 HH22 ARG 8 54.890 12.228 8.340 75 H ILE 9 HN ILE 9 48.641 9.584 4.821 76 HA ILE 9 HA ILE 9 46.282 10.066 6.415 77 HB ILE 9 HB ILE 9 47.906 10.866 8.089 78 HG12 ILE 9 HG12 ILE 9 47.098 13.131 8.423 79 HG13 ILE 9 HG11 ILE 9 46.676 13.300 6.711 80 HG21 ILE 9 HG21 ILE 9 49.750 11.305 6.474 81 HG22 ILE 9 HG22 ILE 9 49.473 12.681 7.570 82 HG23 ILE 9 HG23 ILE 9 48.878 12.744 5.893 83 HD11 ILE 9 HD1 ILE 9 44.771 12.749 8.433 84 HD12 ILE 9 HD2 ILE 9 45.429 11.096 8.392 85 HD13 ILE 9 HD3 ILE 9 44.808 11.847 6.901 86 H GLY 10 HN GLY 10 48.425 10.571 3.842 87 HA2 GLY 10 HA1 GLY 10 47.912 12.952 2.628 88 HA3 GLY 10 HA2 GLY 10 47.925 11.427 1.723 89 H LYS 11 HN LYS 11 45.518 10.483 3.273 90 HA LYS 11 HA LYS 11 43.533 11.489 1.407 91 HB2 LYS 11 HB2 LYS 11 43.092 9.920 3.977 92 HB3 LYS 11 HB1 LYS 11 41.984 10.047 2.591 93 HG2 LYS 11 HG2 LYS 11 43.659 8.941 1.141 94 HG3 LYS 11 HG1 LYS 11 44.772 8.812 2.526 95 HD2 LYS 11 HD2 LYS 11 42.958 7.518 3.745 96 HD3 LYS 11 HD1 LYS 11 42.045 7.490 2.218 97 HE2 LYS 11 HE2 LYS 11 43.974 6.382 1.100 98 HE3 LYS 11 HE1 LYS 11 44.849 6.372 2.650 99 HZ1 LYS 11 HZ1 LYS 11 43.828 4.468 3.090 100 HZ2 LYS 11 HZ2 LYS 11 42.846 4.589 1.709 101 HZ3 LYS 11 HZ3 LYS 11 42.354 5.302 3.171 102 H ALA 12 HN ALA 12 43.014 13.609 1.564 103 HA ALA 12 HA ALA 12 42.904 15.043 4.055 104 HB1 ALA 12 HB1 ALA 12 43.162 16.002 1.719 105 HB2 ALA 12 HB2 ALA 12 42.002 16.843 2.775 106 HB3 ALA 12 HB3 ALA 12 41.414 15.740 1.508 107 H GLY 13 HN GLY 13 41.038 12.524 3.143 108 HA2 GLY 13 HA1 GLY 13 38.842 11.868 3.561 109 HA3 GLY 13 HA2 GLY 13 39.168 12.613 5.137 110 H PHE 14 HN PHE 14 38.754 14.090 1.896 111 HA PHE 14 HA PHE 14 36.092 15.093 2.563 112 HB2 PHE 14 HB2 PHE 14 37.671 16.574 3.913 113 HB3 PHE 14 HB1 PHE 14 38.317 17.158 2.361 114 HD1 PHE 14 HD1 PHE 14 35.002 16.565 4.071 115 HD2 PHE 14 HD2 PHE 14 37.293 19.061 1.394 116 HE1 PHE 14 HE1 PHE 14 33.080 18.138 3.891 117 HE2 PHE 14 HE2 PHE 14 35.370 20.632 1.216 118 HZ PHE 14 HZ PHE 14 33.243 20.139 2.416 119 H ILE 15 HN ILE 15 39.048 15.448 0.581 120 HA ILE 15 HA ILE 15 37.402 15.213 -1.858 121 HB ILE 15 HB ILE 15 38.532 17.305 -2.859 122 HG12 ILE 15 HG12 ILE 15 38.930 17.899 0.113 123 HG13 ILE 15 HG11 ILE 15 40.232 17.542 -1.043 124 HG21 ILE 15 HG21 ILE 15 36.625 17.881 -0.554 125 HG22 ILE 15 HG22 ILE 15 36.099 17.130 -2.079 126 HG23 ILE 15 HG23 ILE 15 36.783 18.770 -2.086 127 HD11 ILE 15 HD1 ILE 15 39.244 19.536 -2.430 128 HD12 ILE 15 HD2 ILE 15 40.202 19.907 -0.976 129 HD13 ILE 15 HD3 ILE 15 38.426 19.978 -0.911 130 H ILE 16 HN ILE 16 38.897 13.271 -1.227 131 HA ILE 16 HA ILE 16 41.208 13.444 -3.089 132 HB ILE 16 HB ILE 16 41.384 12.724 -0.137 133 HG12 ILE 16 HG12 ILE 16 41.856 15.072 -0.728 134 HG13 ILE 16 HG11 ILE 16 43.319 14.257 -0.148 135 HG21 ILE 16 HG21 ILE 16 42.989 11.612 -2.430 136 HG22 ILE 16 HG22 ILE 16 42.611 10.893 -0.850 137 HG23 ILE 16 HG23 ILE 16 43.906 12.102 -0.984 138 HD11 ILE 16 HD1 ILE 16 43.678 13.818 -2.797 139 HD12 ILE 16 HD2 ILE 16 44.198 15.327 -2.024 140 HD13 ILE 16 HD3 ILE 16 42.665 15.272 -2.916 141 H ILE 17 HN ILE 17 38.893 11.685 -1.120 142 HA ILE 17 HA ILE 17 39.373 9.205 -2.777 143 HB ILE 17 HB ILE 17 37.990 9.480 -0.070 144 HG12 ILE 17 HG12 ILE 17 40.377 9.894 0.198 145 HG13 ILE 17 HG11 ILE 17 40.009 8.272 0.816 146 HG21 ILE 17 HG21 ILE 17 37.022 7.563 -0.977 147 HG22 ILE 17 HG22 ILE 17 38.474 6.842 -0.251 148 HG23 ILE 17 HG23 ILE 17 38.426 7.183 -1.996 149 HD11 ILE 17 HD1 ILE 17 40.685 7.454 -1.584 150 HD12 ILE 17 HD2 ILE 17 41.970 7.938 -0.462 151 HD13 ILE 17 HD3 ILE 17 41.446 9.052 -1.742 152 H GLY 18 HN GLY 18 36.858 11.200 -1.175 153 HA2 GLY 18 HA1 GLY 18 34.707 9.950 -2.668 154 HA3 GLY 18 HA2 GLY 18 34.605 11.429 -1.691 155 H GLY 19 HN GLY 19 36.582 12.968 -2.947 156 HA2 GLY 19 HA1 GLY 19 35.101 13.745 -5.390 157 HA3 GLY 19 HA2 GLY 19 36.387 14.659 -4.576 158 H ALA 20 HN ALA 20 38.316 12.560 -4.412 159 HA ALA 20 HA ALA 20 40.093 11.800 -5.694 160 HB1 ALA 20 HB1 ALA 20 37.879 11.134 -7.666 161 HB2 ALA 20 HB2 ALA 20 38.390 10.111 -6.303 162 HB3 ALA 20 HB3 ALA 20 39.515 10.435 -7.644 163 H LEU 21 HN LEU 21 40.476 14.256 -5.808 164 HA LEU 21 HA LEU 21 39.918 15.826 -8.055 165 HB2 LEU 21 HB2 LEU 21 41.181 16.483 -5.938 166 HB3 LEU 21 HB1 LEU 21 42.617 15.727 -6.661 167 HG LEU 21 HG LEU 21 42.059 17.286 -8.745 168 HD11 LEU 21 HD11 LEU 21 40.634 18.708 -6.448 169 HD12 LEU 21 HD12 LEU 21 39.907 18.156 -7.975 170 HD13 LEU 21 HD13 LEU 21 41.090 19.481 -7.981 171 HD21 LEU 21 HD21 LEU 21 44.085 17.473 -7.333 172 HD22 LEU 21 HD22 LEU 21 43.166 18.414 -6.134 173 HD23 LEU 21 HD23 LEU 21 43.452 19.081 -7.759 174 H ASP 22 HN ASP 22 40.247 15.570 -10.156 175 HA ASP 22 HA ASP 22 41.129 14.750 -12.140 176 HB2 ASP 22 HB2 ASP 22 43.695 15.081 -10.538 177 HB3 ASP 22 HB1 ASP 22 43.634 14.786 -12.292 178 H HIS 23 HN HIS 23 43.703 13.284 -10.198 179 HA HIS 23 HA HIS 23 42.456 10.613 -10.290 180 HB2 HIS 23 HB2 HIS 23 44.222 9.591 -11.656 181 HB3 HIS 23 HB1 HIS 23 43.369 10.844 -12.589 182 HD1 HIS 23 HD1 HIS 23 44.931 13.205 -10.897 183 HD2 HIS 23 HD2 HIS 23 46.664 10.054 -13.075 184 HE1 HIS 23 HE1 HIS 23 47.281 13.947 -11.569 185 H LEU 24 HN LEU 24 43.185 12.181 -8.128 186 HA LEU 24 HA LEU 24 44.997 10.382 -6.771 187 HB2 LEU 24 HB2 LEU 24 46.755 11.554 -7.934 188 HB3 LEU 24 HB1 LEU 24 46.027 13.133 -7.570 189 HG LEU 24 HG LEU 24 46.544 12.917 -5.211 190 HD11 LEU 24 HD11 LEU 24 47.252 10.053 -5.960 191 HD12 LEU 24 HD12 LEU 24 46.116 10.624 -4.714 192 HD13 LEU 24 HD13 LEU 24 47.867 10.809 -4.470 193 HD21 LEU 24 HD21 LEU 24 48.386 13.599 -6.780 194 HD22 LEU 24 HD22 LEU 24 48.933 11.906 -6.816 195 HD23 LEU 24 HD23 LEU 24 48.985 12.826 -5.294 Start of MODEL 33 1 H1 GLY 1 HT1 GLY 1 59.753 7.866 -1.081 2 H2 GLY 1 HT2 GLY 1 58.672 8.094 0.211 3 H3 GLY 1 HT3 GLY 1 58.121 7.447 -1.260 4 HA2 GLY 1 HA1 GLY 1 59.332 5.480 -0.969 5 HA3 GLY 1 HA2 GLY 1 60.138 6.166 0.455 6 H LYS 2 HN LYS 2 59.229 3.972 1.211 7 HA LYS 2 HA LYS 2 56.379 3.844 1.737 8 HB2 LYS 2 HB2 LYS 2 58.285 1.966 1.686 9 HB3 LYS 2 HB1 LYS 2 58.403 2.340 3.419 10 HG2 LYS 2 HG2 LYS 2 55.880 1.993 3.562 11 HG3 LYS 2 HG1 LYS 2 55.940 1.396 1.886 12 HD2 LYS 2 HD2 LYS 2 57.720 -0.266 2.661 13 HD3 LYS 2 HD1 LYS 2 57.326 0.219 4.329 14 HE2 LYS 2 HE2 LYS 2 54.913 -0.364 3.852 15 HE3 LYS 2 HE1 LYS 2 55.437 -1.016 2.280 16 HZ1 LYS 2 HZ1 LYS 2 56.019 -2.005 4.998 17 HZ2 LYS 2 HZ2 LYS 2 57.108 -2.331 3.735 18 HZ3 LYS 2 HZ3 LYS 2 55.498 -2.862 3.630 19 H GLY 3 HN GLY 3 56.999 2.928 4.629 20 HA2 GLY 3 HA1 GLY 3 56.225 4.045 6.669 21 HA3 GLY 3 HA2 GLY 3 57.826 4.908 6.376 22 H ARG 4 HN ARG 4 54.879 4.124 5.656 23 HA ARG 4 HA ARG 4 53.851 5.500 7.061 24 HB2 ARG 4 HB2 ARG 4 54.386 7.482 4.943 25 HB3 ARG 4 HB1 ARG 4 52.665 7.459 5.362 26 HG2 ARG 4 HG2 ARG 4 52.989 8.245 7.533 27 HG3 ARG 4 HG1 ARG 4 54.628 7.587 7.667 28 HD2 ARG 4 HD2 ARG 4 53.778 10.001 6.009 29 HD3 ARG 4 HD1 ARG 4 54.714 10.035 7.522 30 HE ARG 4 HE ARG 4 55.956 8.417 5.415 31 HH11 ARG 4 HH11 ARG 4 57.065 10.319 7.666 32 HH12 ARG 4 HH12 ARG 4 57.881 11.481 6.675 33 HH21 ARG 4 HH21 ARG 4 56.349 10.448 3.740 34 HH22 ARG 4 HH22 ARG 4 57.475 11.556 4.452 35 H TRP 5 HN TRP 5 53.907 3.977 4.262 36 HA TRP 5 HA TRP 5 51.434 3.946 3.001 37 HB2 TRP 5 HB2 TRP 5 53.270 1.654 3.783 38 HB3 TRP 5 HB1 TRP 5 51.781 1.363 2.857 39 HD1 TRP 5 HD1 TRP 5 53.688 4.592 2.219 40 HE1 TRP 5 HE1 TRP 5 54.772 4.529 -0.141 41 HE3 TRP 5 HE3 TRP 5 52.800 -0.314 1.051 42 HZ2 TRP 5 HZ2 TRP 5 55.183 2.593 -2.232 43 HZ3 TRP 5 HZ3 TRP 5 53.547 -1.246 -1.133 44 HH2 TRP 5 HH2 TRP 5 54.737 0.202 -2.774 45 H LEU 6 HN LEU 6 52.141 3.226 6.283 46 HA LEU 6 HA LEU 6 49.366 2.154 6.737 47 HB2 LEU 6 HB2 LEU 6 51.790 1.862 8.550 48 HB3 LEU 6 HB1 LEU 6 50.222 1.028 8.681 49 HG LEU 6 HG LEU 6 52.226 0.720 6.399 50 HD11 LEU 6 HD11 LEU 6 51.373 -1.223 8.592 51 HD12 LEU 6 HD12 LEU 6 52.907 -0.319 8.570 52 HD13 LEU 6 HD13 LEU 6 52.570 -1.534 7.313 53 HD21 LEU 6 HD21 LEU 6 50.085 0.349 5.432 54 HD22 LEU 6 HD22 LEU 6 49.443 -0.407 6.911 55 HD23 LEU 6 HD23 LEU 6 50.616 -1.282 5.897 56 H GLU 7 HN GLU 7 51.554 4.841 7.232 57 HA GLU 7 HA GLU 7 49.702 5.886 9.394 58 HB2 GLU 7 HB2 GLU 7 52.671 6.353 8.914 59 HB3 GLU 7 HB1 GLU 7 51.680 7.350 10.004 60 HG2 GLU 7 HG2 GLU 7 51.106 5.378 11.344 61 HG3 GLU 7 HG1 GLU 7 51.984 4.321 10.213 62 H ARG 8 HN ARG 8 49.532 5.907 6.407 63 HA ARG 8 HA ARG 8 50.202 8.547 5.474 64 HB2 ARG 8 HB2 ARG 8 48.828 7.991 3.554 65 HB3 ARG 8 HB1 ARG 8 49.743 6.541 4.032 66 HG2 ARG 8 HG2 ARG 8 47.699 5.834 5.388 67 HG3 ARG 8 HG1 ARG 8 46.811 7.155 4.591 68 HD2 ARG 8 HD2 ARG 8 48.153 4.768 3.255 69 HD3 ARG 8 HD1 ARG 8 46.412 5.136 3.313 70 HE ARG 8 HE ARG 8 47.760 7.343 2.097 71 HH11 ARG 8 HH11 ARG 8 47.962 7.458 -0.157 72 HH12 ARG 8 HH12 ARG 8 47.502 6.093 -1.121 73 HH21 ARG 8 HH21 ARG 8 46.748 4.087 1.604 74 HH22 ARG 8 HH22 ARG 8 46.815 4.185 -0.123 75 H ILE 9 HN ILE 9 48.830 10.336 5.045 76 HA ILE 9 HA ILE 9 46.997 10.901 7.210 77 HB ILE 9 HB ILE 9 48.327 12.658 6.012 78 HG12 ILE 9 HG12 ILE 9 45.302 13.047 5.820 79 HG13 ILE 9 HG11 ILE 9 46.245 13.179 7.322 80 HG21 ILE 9 HG21 ILE 9 47.777 13.354 3.795 81 HG22 ILE 9 HG22 ILE 9 46.286 12.383 3.770 82 HG23 ILE 9 HG23 ILE 9 47.874 11.581 3.712 83 HD11 ILE 9 HD1 ILE 9 46.382 14.944 4.852 84 HD12 ILE 9 HD2 ILE 9 47.679 14.932 6.073 85 HD13 ILE 9 HD3 ILE 9 46.029 15.418 6.528 86 H GLY 10 HN GLY 10 46.599 10.085 3.754 87 HA2 GLY 10 HA1 GLY 10 44.674 9.592 2.547 88 HA3 GLY 10 HA2 GLY 10 44.279 8.603 3.965 89 H LYS 11 HN LYS 11 42.209 8.892 4.437 90 HA LYS 11 HA LYS 11 40.185 9.978 4.793 91 HB2 LYS 11 HB2 LYS 11 42.154 12.021 5.891 92 HB3 LYS 11 HB1 LYS 11 40.390 12.138 6.104 93 HG2 LYS 11 HG2 LYS 11 40.313 10.053 7.316 94 HG3 LYS 11 HG1 LYS 11 42.005 9.683 6.905 95 HD2 LYS 11 HD2 LYS 11 42.816 11.512 8.267 96 HD3 LYS 11 HD1 LYS 11 41.163 12.123 8.523 97 HE2 LYS 11 HE2 LYS 11 40.566 10.105 9.774 98 HE3 LYS 11 HE1 LYS 11 42.161 9.391 9.438 99 HZ1 LYS 11 HZ1 LYS 11 43.066 10.545 11.091 100 HZ2 LYS 11 HZ2 LYS 11 41.494 10.957 11.587 101 HZ3 LYS 11 HZ3 LYS 11 42.371 12.005 10.578 102 H ALA 12 HN ALA 12 41.845 10.553 2.252 103 HA ALA 12 HA ALA 12 41.394 11.692 0.296 104 HB1 ALA 12 HB1 ALA 12 39.292 12.646 -0.070 105 HB2 ALA 12 HB2 ALA 12 39.153 13.245 1.598 106 HB3 ALA 12 HB3 ALA 12 38.965 11.509 1.257 107 H GLY 13 HN GLY 13 42.039 13.189 3.291 108 HA2 GLY 13 HA1 GLY 13 42.848 15.306 3.860 109 HA3 GLY 13 HA2 GLY 13 43.925 14.986 2.486 110 H PHE 14 HN PHE 14 40.474 15.895 2.907 111 HA PHE 14 HA PHE 14 39.274 17.650 1.997 112 HB2 PHE 14 HB2 PHE 14 41.840 19.010 1.118 113 HB3 PHE 14 HB1 PHE 14 40.306 19.739 1.643 114 HD1 PHE 14 HD1 PHE 14 43.605 18.870 2.692 115 HD2 PHE 14 HD2 PHE 14 39.529 19.099 4.100 116 HE1 PHE 14 HE1 PHE 14 44.422 18.971 5.043 117 HE2 PHE 14 HE2 PHE 14 40.349 19.199 6.452 118 HZ PHE 14 HZ PHE 14 42.796 19.163 6.920 119 H ILE 15 HN ILE 15 39.564 15.389 0.522 120 HA ILE 15 HA ILE 15 39.264 14.597 -1.621 121 HB ILE 15 HB ILE 15 39.100 17.483 -2.571 122 HG12 ILE 15 HG12 ILE 15 37.603 17.441 -0.711 123 HG13 ILE 15 HG11 ILE 15 36.577 17.187 -2.133 124 HG21 ILE 15 HG21 ILE 15 37.388 16.369 -4.148 125 HG22 ILE 15 HG22 ILE 15 38.055 14.816 -3.597 126 HG23 ILE 15 HG23 ILE 15 39.101 15.993 -4.416 127 HD11 ILE 15 HD1 ILE 15 37.522 15.115 -0.111 128 HD12 ILE 15 HD2 ILE 15 36.798 14.664 -1.670 129 HD13 ILE 15 HD3 ILE 15 35.855 15.595 -0.490 130 H ILE 16 HN ILE 16 41.528 13.918 -1.432 131 HA ILE 16 HA ILE 16 43.191 15.260 -3.551 132 HB ILE 16 HB ILE 16 44.155 14.219 -0.845 133 HG12 ILE 16 HG12 ILE 16 43.120 16.612 -1.094 134 HG13 ILE 16 HG11 ILE 16 44.689 16.450 -0.280 135 HG21 ILE 16 HG21 ILE 16 45.799 13.538 -2.451 136 HG22 ILE 16 HG22 ILE 16 46.428 15.019 -1.698 137 HG23 ILE 16 HG23 ILE 16 45.698 15.087 -3.321 138 HD11 ILE 16 HD1 ILE 16 44.510 18.346 -1.989 139 HD12 ILE 16 HD2 ILE 16 44.451 17.103 -3.253 140 HD13 ILE 16 HD3 ILE 16 45.883 17.243 -2.212 141 H ILE 17 HN ILE 17 43.601 12.409 -1.395 142 HA ILE 17 HA ILE 17 44.426 10.816 -3.701 143 HB ILE 17 HB ILE 17 45.406 10.311 -1.522 144 HG12 ILE 17 HG12 ILE 17 45.000 7.903 -1.381 145 HG13 ILE 17 HG11 ILE 17 43.463 8.065 -2.255 146 HG21 ILE 17 HG21 ILE 17 43.947 9.355 0.300 147 HG22 ILE 17 HG22 ILE 17 42.525 9.834 -0.655 148 HG23 ILE 17 HG23 ILE 17 43.649 11.073 -0.047 149 HD11 ILE 17 HD1 ILE 17 44.542 8.550 -4.310 150 HD12 ILE 17 HD2 ILE 17 45.593 7.312 -3.588 151 HD13 ILE 17 HD3 ILE 17 46.058 9.028 -3.511 152 H GLY 18 HN GLY 18 41.481 11.431 -1.899 153 HA2 GLY 18 HA1 GLY 18 40.013 9.160 -2.957 154 HA3 GLY 18 HA2 GLY 18 39.329 10.586 -2.148 155 H GLY 19 HN GLY 19 39.984 12.684 -3.662 156 HA2 GLY 19 HA1 GLY 19 38.285 12.296 -6.005 157 HA3 GLY 19 HA2 GLY 19 39.067 13.803 -5.487 158 H ALA 20 HN ALA 20 41.739 13.061 -5.428 159 HA ALA 20 HA ALA 20 43.545 13.002 -6.884 160 HB1 ALA 20 HB1 ALA 20 41.949 10.899 -8.377 161 HB2 ALA 20 HB2 ALA 20 42.803 10.581 -6.849 162 HB3 ALA 20 HB3 ALA 20 43.718 11.075 -8.294 163 H LEU 21 HN LEU 21 40.797 14.414 -7.642 164 HA LEU 21 HA LEU 21 40.054 15.745 -9.391 165 HB2 LEU 21 HB2 LEU 21 43.064 15.769 -9.808 166 HB3 LEU 21 HB1 LEU 21 41.971 16.708 -10.851 167 HG LEU 21 HG LEU 21 41.060 17.876 -8.872 168 HD11 LEU 21 HD11 LEU 21 42.948 15.998 -7.401 169 HD12 LEU 21 HD12 LEU 21 41.224 16.314 -7.090 170 HD13 LEU 21 HD13 LEU 21 42.439 17.546 -6.683 171 HD21 LEU 21 HD21 LEU 21 44.113 17.880 -8.926 172 HD22 LEU 21 HD22 LEU 21 43.068 19.195 -8.337 173 HD23 LEU 21 HD23 LEU 21 43.069 18.764 -10.065 174 H ASP 22 HN ASP 22 42.444 15.159 -11.729 175 HA ASP 22 HA ASP 22 42.338 14.098 -13.786 176 HB2 ASP 22 HB2 ASP 22 42.750 12.108 -12.403 177 HB3 ASP 22 HB1 ASP 22 41.002 11.920 -12.128 178 H HIS 23 HN HIS 23 39.360 12.585 -12.547 179 HA HIS 23 HA HIS 23 37.624 14.437 -14.018 180 HB2 HIS 23 HB2 HIS 23 38.497 13.026 -15.868 181 HB3 HIS 23 HB1 HIS 23 37.919 11.574 -15.015 182 HD1 HIS 23 HD1 HIS 23 36.065 14.907 -15.272 183 HD2 HIS 23 HD2 HIS 23 35.709 10.929 -16.590 184 HE1 HIS 23 HE1 HIS 23 33.792 14.686 -16.418 185 H LEU 24 HN LEU 24 38.279 12.477 -11.503 186 HA LEU 24 HA LEU 24 35.683 11.169 -11.161 187 HB2 LEU 24 HB2 LEU 24 37.697 11.747 -8.964 188 HB3 LEU 24 HB1 LEU 24 36.545 10.396 -9.092 189 HG LEU 24 HG LEU 24 38.988 10.877 -10.856 190 HD11 LEU 24 HD11 LEU 24 38.324 8.607 -8.930 191 HD12 LEU 24 HD12 LEU 24 39.377 9.986 -8.527 192 HD13 LEU 24 HD13 LEU 24 39.849 8.850 -9.815 193 HD21 LEU 24 HD21 LEU 24 37.325 9.904 -12.280 194 HD22 LEU 24 HD22 LEU 24 36.724 8.840 -10.985 195 HD23 LEU 24 HD23 LEU 24 38.314 8.534 -11.725 Start of MODEL 34 1 H1 GLY 1 HT1 GLY 1 64.225 0.058 6.370 2 H2 GLY 1 HT2 GLY 1 62.727 -0.178 5.602 3 H3 GLY 1 HT3 GLY 1 63.120 -1.065 6.997 4 HA2 GLY 1 HA1 GLY 1 62.817 0.662 8.393 5 HA3 GLY 1 HA2 GLY 1 63.098 1.846 7.103 6 H LYS 2 HN LYS 2 60.951 -1.015 7.210 7 HA LYS 2 HA LYS 2 58.761 0.518 6.060 8 HB2 LYS 2 HB2 LYS 2 57.474 -1.549 6.316 9 HB3 LYS 2 HB1 LYS 2 59.094 -1.932 5.688 10 HG2 LYS 2 HG2 LYS 2 59.817 -2.366 8.089 11 HG3 LYS 2 HG1 LYS 2 58.104 -2.235 8.553 12 HD2 LYS 2 HD2 LYS 2 57.567 -4.040 6.888 13 HD3 LYS 2 HD1 LYS 2 59.312 -4.228 6.587 14 HE2 LYS 2 HE2 LYS 2 58.465 -5.879 8.256 15 HE3 LYS 2 HE1 LYS 2 59.689 -4.790 8.951 16 HZ1 LYS 2 HZ1 LYS 2 56.751 -4.359 9.164 17 HZ2 LYS 2 HZ2 LYS 2 57.976 -3.482 9.950 18 HZ3 LYS 2 HZ3 LYS 2 57.691 -5.105 10.363 19 H GLY 3 HN GLY 3 56.621 -0.697 7.648 20 HA2 GLY 3 HA1 GLY 3 55.154 0.216 9.330 21 HA3 GLY 3 HA2 GLY 3 56.657 0.049 10.392 22 H ARG 4 HN ARG 4 55.033 1.137 7.972 23 HA ARG 4 HA ARG 4 53.837 2.670 8.962 24 HB2 ARG 4 HB2 ARG 4 56.319 4.287 8.718 25 HB3 ARG 4 HB1 ARG 4 54.867 5.168 8.189 26 HG2 ARG 4 HG2 ARG 4 53.971 5.324 10.322 27 HG3 ARG 4 HG1 ARG 4 54.601 3.757 10.847 28 HD2 ARG 4 HD2 ARG 4 55.617 5.910 11.907 29 HD3 ARG 4 HD1 ARG 4 56.749 4.663 11.337 30 HE ARG 4 HE ARG 4 56.199 6.570 9.237 31 HH11 ARG 4 HH11 ARG 4 58.897 5.421 10.012 32 HH12 ARG 4 HH12 ARG 4 59.713 6.829 10.602 33 HH21 ARG 4 HH21 ARG 4 56.808 8.693 10.944 34 HH22 ARG 4 HH22 ARG 4 58.530 8.683 11.130 35 H TRP 5 HN TRP 5 55.470 1.732 6.386 36 HA TRP 5 HA TRP 5 54.926 3.266 4.135 37 HB2 TRP 5 HB2 TRP 5 54.735 0.280 4.604 38 HB3 TRP 5 HB1 TRP 5 54.453 0.966 2.988 39 HD1 TRP 5 HD1 TRP 5 57.044 2.640 5.212 40 HE1 TRP 5 HE1 TRP 5 59.427 2.239 4.256 41 HE3 TRP 5 HE3 TRP 5 55.896 -0.799 1.595 42 HZ2 TRP 5 HZ2 TRP 5 60.639 0.635 2.195 43 HZ3 TRP 5 HZ3 TRP 5 57.682 -1.749 0.146 44 HH2 TRP 5 HH2 TRP 5 60.051 -1.036 0.442 45 H LEU 6 HN LEU 6 52.699 1.760 6.301 46 HA LEU 6 HA LEU 6 50.377 2.170 4.455 47 HB2 LEU 6 HB2 LEU 6 50.339 0.937 7.231 48 HB3 LEU 6 HB1 LEU 6 49.156 0.747 5.914 49 HG LEU 6 HG LEU 6 52.026 -0.288 5.936 50 HD11 LEU 6 HD11 LEU 6 51.014 -2.485 6.035 51 HD12 LEU 6 HD12 LEU 6 49.383 -1.800 5.832 52 HD13 LEU 6 HD13 LEU 6 50.292 -1.505 7.334 53 HD21 LEU 6 HD21 LEU 6 51.177 -1.440 3.771 54 HD22 LEU 6 HD22 LEU 6 51.557 0.294 3.665 55 HD23 LEU 6 HD23 LEU 6 49.862 -0.239 3.791 56 H GLU 7 HN GLU 7 52.033 3.557 7.245 57 HA GLU 7 HA GLU 7 49.700 4.905 8.326 58 HB2 GLU 7 HB2 GLU 7 51.934 4.506 9.479 59 HB3 GLU 7 HB1 GLU 7 52.588 5.831 8.485 60 HG2 GLU 7 HG2 GLU 7 51.909 6.821 10.573 61 HG3 GLU 7 HG1 GLU 7 50.674 7.280 9.379 62 H ARG 8 HN ARG 8 51.913 5.546 5.675 63 HA ARG 8 HA ARG 8 51.368 8.361 5.413 64 HB2 ARG 8 HB2 ARG 8 52.203 6.299 3.335 65 HB3 ARG 8 HB1 ARG 8 52.240 8.064 3.102 66 HG2 ARG 8 HG2 ARG 8 53.798 8.290 5.011 67 HG3 ARG 8 HG1 ARG 8 53.761 6.528 5.256 68 HD2 ARG 8 HD2 ARG 8 54.697 7.936 2.716 69 HD3 ARG 8 HD1 ARG 8 55.761 7.223 3.952 70 HE ARG 8 HE ARG 8 53.999 5.171 3.162 71 HH11 ARG 8 HH11 ARG 8 56.999 6.502 2.467 72 HH12 ARG 8 HH12 ARG 8 57.194 5.709 0.940 73 HH21 ARG 8 HH21 ARG 8 53.962 4.456 0.875 74 HH22 ARG 8 HH22 ARG 8 55.476 4.550 0.039 75 H ILE 9 HN ILE 9 50.096 9.442 3.801 76 HA ILE 9 HA ILE 9 48.076 7.979 2.306 77 HB ILE 9 HB ILE 9 47.098 7.832 4.608 78 HG12 ILE 9 HG12 ILE 9 45.591 9.700 2.718 79 HG13 ILE 9 HG11 ILE 9 45.690 7.932 2.540 80 HG21 ILE 9 HG21 ILE 9 48.126 10.158 5.247 81 HG22 ILE 9 HG22 ILE 9 46.517 9.741 5.876 82 HG23 ILE 9 HG23 ILE 9 46.668 10.840 4.487 83 HD11 ILE 9 HD1 ILE 9 44.410 9.505 4.810 84 HD12 ILE 9 HD2 ILE 9 44.743 7.758 4.908 85 HD13 ILE 9 HD3 ILE 9 43.619 8.383 3.678 86 H GLY 10 HN GLY 10 47.840 9.110 0.517 87 HA2 GLY 10 HA1 GLY 10 48.494 12.016 0.538 88 HA3 GLY 10 HA2 GLY 10 48.309 10.969 -0.884 89 H LYS 11 HN LYS 11 45.789 9.821 0.277 90 HA LYS 11 HA LYS 11 43.985 11.844 -0.876 91 HB2 LYS 11 HB2 LYS 11 43.457 9.097 0.331 92 HB3 LYS 11 HB1 LYS 11 42.271 10.089 -0.553 93 HG2 LYS 11 HG2 LYS 11 43.805 10.068 -2.541 94 HG3 LYS 11 HG1 LYS 11 44.882 8.963 -1.654 95 HD2 LYS 11 HD2 LYS 11 43.114 7.285 -1.496 96 HD3 LYS 11 HD1 LYS 11 41.942 8.401 -2.236 97 HE2 LYS 11 HE2 LYS 11 43.010 6.643 -3.795 98 HE3 LYS 11 HE1 LYS 11 43.047 8.333 -4.350 99 HZ1 LYS 11 HZ1 LYS 11 45.197 6.855 -4.355 100 HZ2 LYS 11 HZ2 LYS 11 45.287 7.340 -2.729 101 HZ3 LYS 11 HZ3 LYS 11 45.275 8.504 -3.968 102 H ALA 12 HN ALA 12 44.122 13.554 0.664 103 HA ALA 12 HA ALA 12 43.379 12.990 3.463 104 HB1 ALA 12 HB1 ALA 12 44.972 14.833 2.634 105 HB2 ALA 12 HB2 ALA 12 43.755 15.297 3.846 106 HB3 ALA 12 HB3 ALA 12 43.510 15.711 2.132 107 H GLY 13 HN GLY 13 41.622 12.498 0.971 108 HA2 GLY 13 HA1 GLY 13 39.367 12.629 0.486 109 HA3 GLY 13 HA2 GLY 13 39.117 12.962 2.213 110 H PHE 14 HN PHE 14 41.181 15.070 0.391 111 HA PHE 14 HA PHE 14 38.980 17.016 -0.130 112 HB2 PHE 14 HB2 PHE 14 39.820 17.437 2.210 113 HB3 PHE 14 HB1 PHE 14 41.432 17.746 1.520 114 HD1 PHE 14 HD1 PHE 14 41.797 19.670 -0.029 115 HD2 PHE 14 HD2 PHE 14 38.017 19.042 1.963 116 HE1 PHE 14 HE1 PHE 14 41.124 22.008 -0.566 117 HE2 PHE 14 HE2 PHE 14 37.347 21.381 1.425 118 HZ PHE 14 HZ PHE 14 38.870 22.837 0.096 119 H ILE 15 HN ILE 15 42.572 16.645 -0.054 120 HA ILE 15 HA ILE 15 42.816 18.277 -2.486 121 HB ILE 15 HB ILE 15 45.222 17.802 -2.328 122 HG12 ILE 15 HG12 ILE 15 44.347 15.950 -0.064 123 HG13 ILE 15 HG11 ILE 15 45.154 15.475 -1.575 124 HG21 ILE 15 HG21 ILE 15 45.630 19.016 -0.302 125 HG22 ILE 15 HG22 ILE 15 44.158 18.374 0.467 126 HG23 ILE 15 HG23 ILE 15 44.028 19.551 -0.862 127 HD11 ILE 15 HD1 ILE 15 47.068 17.071 -0.833 128 HD12 ILE 15 HD2 ILE 15 46.904 15.523 0.029 129 HD13 ILE 15 HD3 ILE 15 46.301 17.021 0.773 130 H ILE 16 HN ILE 16 41.185 15.890 -2.643 131 HA ILE 16 HA ILE 16 42.525 14.718 -5.015 132 HB ILE 16 HB ILE 16 43.140 13.310 -2.996 133 HG12 ILE 16 HG12 ILE 16 42.358 11.121 -4.095 134 HG13 ILE 16 HG11 ILE 16 41.424 12.120 -5.230 135 HG21 ILE 16 HG21 ILE 16 40.219 12.465 -3.031 136 HG22 ILE 16 HG22 ILE 16 40.855 13.680 -1.895 137 HG23 ILE 16 HG23 ILE 16 41.482 12.016 -1.862 138 HD11 ILE 16 HD1 ILE 16 44.381 12.705 -4.862 139 HD12 ILE 16 HD2 ILE 16 43.351 12.955 -6.290 140 HD13 ILE 16 HD3 ILE 16 43.888 11.319 -5.859 141 H ILE 17 HN ILE 17 39.678 14.706 -2.840 142 HA ILE 17 HA ILE 17 37.905 13.938 -5.058 143 HB ILE 17 HB ILE 17 37.283 13.244 -2.781 144 HG12 ILE 17 HG12 ILE 17 34.991 14.069 -2.687 145 HG13 ILE 17 HG11 ILE 17 35.411 15.499 -3.651 146 HG21 ILE 17 HG21 ILE 17 36.744 14.909 -1.045 147 HG22 ILE 17 HG22 ILE 17 37.186 16.227 -2.154 148 HG23 ILE 17 HG23 ILE 17 38.430 15.092 -1.580 149 HD11 ILE 17 HD1 ILE 17 35.880 12.712 -4.765 150 HD12 ILE 17 HD2 ILE 17 35.650 14.244 -5.643 151 HD13 ILE 17 HD3 ILE 17 34.267 13.458 -4.848 152 H GLY 18 HN GLY 18 39.054 16.792 -3.380 153 HA2 GLY 18 HA1 GLY 18 37.206 18.591 -4.848 154 HA3 GLY 18 HA2 GLY 18 38.392 19.049 -3.607 155 H GLY 19 HN GLY 19 40.727 17.949 -4.516 156 HA2 GLY 19 HA1 GLY 19 41.596 19.851 -6.425 157 HA3 GLY 19 HA2 GLY 19 42.451 18.354 -5.998 158 H ALA 20 HN ALA 20 40.421 16.508 -6.819 159 HA ALA 20 HA ALA 20 41.053 16.441 -9.672 160 HB1 ALA 20 HB1 ALA 20 39.820 14.348 -9.669 161 HB2 ALA 20 HB2 ALA 20 39.123 14.722 -8.075 162 HB3 ALA 20 HB3 ALA 20 40.869 14.413 -8.235 163 H LEU 21 HN LEU 21 37.873 16.211 -8.014 164 HA LEU 21 HA LEU 21 35.800 17.005 -8.641 165 HB2 LEU 21 HB2 LEU 21 37.507 19.179 -8.657 166 HB3 LEU 21 HB1 LEU 21 36.858 19.265 -10.306 167 HG LEU 21 HG LEU 21 35.174 19.107 -7.759 168 HD11 LEU 21 HD11 LEU 21 36.456 21.253 -8.076 169 HD12 LEU 21 HD12 LEU 21 34.689 21.461 -8.153 170 HD13 LEU 21 HD13 LEU 21 35.650 21.449 -9.651 171 HD21 LEU 21 HD21 LEU 21 33.951 18.140 -9.598 172 HD22 LEU 21 HD22 LEU 21 34.502 19.412 -10.716 173 HD23 LEU 21 HD23 LEU 21 33.352 19.804 -9.416 174 H ASP 22 HN ASP 22 37.865 15.579 -10.665 175 HA ASP 22 HA ASP 22 36.593 16.138 -13.245 176 HB2 ASP 22 HB2 ASP 22 38.397 13.831 -12.408 177 HB3 ASP 22 HB1 ASP 22 38.007 14.323 -14.074 178 H HIS 23 HN HIS 23 34.975 15.166 -10.850 179 HA HIS 23 HA HIS 23 33.238 13.677 -10.460 180 HB2 HIS 23 HB2 HIS 23 33.281 13.638 -13.503 181 HB3 HIS 23 HB1 HIS 23 31.984 12.931 -12.510 182 HD1 HIS 23 HD1 HIS 23 31.788 15.099 -10.291 183 HD2 HIS 23 HD2 HIS 23 31.912 15.906 -14.415 184 HE1 HIS 23 HE1 HIS 23 30.776 17.417 -10.643 185 H LEU 24 HN LEU 24 35.918 12.605 -10.404 186 HA LEU 24 HA LEU 24 36.120 10.128 -11.804 187 HB2 LEU 24 HB2 LEU 24 38.067 11.086 -10.751 188 HB3 LEU 24 HB1 LEU 24 37.282 11.082 -9.158 189 HG LEU 24 HG LEU 24 37.338 8.661 -9.048 190 HD11 LEU 24 HD11 LEU 24 38.180 8.872 -11.966 191 HD12 LEU 24 HD12 LEU 24 36.827 7.949 -11.266 192 HD13 LEU 24 HD13 LEU 24 38.501 7.409 -11.004 193 HD21 LEU 24 HD21 LEU 24 39.971 9.741 -10.152 194 HD22 LEU 24 HD22 LEU 24 39.785 8.255 -9.189 195 HD23 LEU 24 HD23 LEU 24 39.431 9.840 -8.460 Start of MODEL 35 1 H1 GLY 1 HT1 GLY 1 59.524 2.870 -2.544 2 H2 GLY 1 HT2 GLY 1 60.904 2.211 -1.806 3 H3 GLY 1 HT3 GLY 1 59.702 2.953 -0.861 4 HA2 GLY 1 HA1 GLY 1 58.432 1.024 -2.337 5 HA3 GLY 1 HA2 GLY 1 59.924 0.294 -1.713 6 H LYS 2 HN LYS 2 56.782 1.595 -0.963 7 HA LYS 2 HA LYS 2 55.563 1.633 1.014 8 HB2 LYS 2 HB2 LYS 2 57.297 -0.805 1.622 9 HB3 LYS 2 HB1 LYS 2 55.785 -0.376 2.444 10 HG2 LYS 2 HG2 LYS 2 54.941 -1.868 0.860 11 HG3 LYS 2 HG1 LYS 2 54.803 -0.353 -0.058 12 HD2 LYS 2 HD2 LYS 2 56.884 -0.825 -1.248 13 HD3 LYS 2 HD1 LYS 2 57.201 -2.243 -0.220 14 HE2 LYS 2 HE2 LYS 2 56.193 -2.750 -2.510 15 HE3 LYS 2 HE1 LYS 2 55.312 -3.426 -1.120 16 HZ1 LYS 2 HZ1 LYS 2 53.835 -2.343 -2.723 17 HZ2 LYS 2 HZ2 LYS 2 54.648 -0.869 -2.496 18 HZ3 LYS 2 HZ3 LYS 2 53.786 -1.573 -1.212 19 H GLY 3 HN GLY 3 56.320 0.782 3.662 20 HA2 GLY 3 HA1 GLY 3 57.063 2.026 5.588 21 HA3 GLY 3 HA2 GLY 3 58.688 1.931 4.707 22 H ARG 4 HN ARG 4 55.702 2.737 4.988 23 HA ARG 4 HA ARG 4 55.845 4.445 6.329 24 HB2 ARG 4 HB2 ARG 4 56.606 5.900 3.852 25 HB3 ARG 4 HB1 ARG 4 55.383 6.762 4.808 26 HG2 ARG 4 HG2 ARG 4 56.829 7.240 6.561 27 HG3 ARG 4 HG1 ARG 4 57.746 5.738 6.389 28 HD2 ARG 4 HD2 ARG 4 58.777 6.702 4.277 29 HD3 ARG 4 HD1 ARG 4 57.958 8.236 4.652 30 HE ARG 4 HE ARG 4 60.316 7.157 6.017 31 HH11 ARG 4 HH11 ARG 4 60.006 7.680 8.433 32 HH12 ARG 4 HH12 ARG 4 59.566 9.331 8.718 33 HH21 ARG 4 HH21 ARG 4 58.678 9.942 5.423 34 HH22 ARG 4 HH22 ARG 4 58.814 10.611 7.015 35 H TRP 5 HN TRP 5 54.476 3.051 3.845 36 HA TRP 5 HA TRP 5 52.092 4.179 3.044 37 HB2 TRP 5 HB2 TRP 5 52.885 1.842 2.543 38 HB3 TRP 5 HB1 TRP 5 52.309 1.365 4.159 39 HD1 TRP 5 HD1 TRP 5 49.920 0.515 4.224 40 HE1 TRP 5 HE1 TRP 5 47.786 0.726 2.756 41 HE3 TRP 5 HE3 TRP 5 51.690 3.772 0.692 42 HZ2 TRP 5 HZ2 TRP 5 46.988 2.129 0.371 43 HZ3 TRP 5 HZ3 TRP 5 50.224 4.532 -1.171 44 HH2 TRP 5 HH2 TRP 5 47.877 3.714 -1.334 45 H LEU 6 HN LEU 6 53.022 3.250 6.261 46 HA LEU 6 HA LEU 6 50.265 3.525 7.348 47 HB2 LEU 6 HB2 LEU 6 52.953 2.713 8.502 48 HB3 LEU 6 HB1 LEU 6 51.563 3.053 9.549 49 HG LEU 6 HG LEU 6 51.934 0.601 8.922 50 HD11 LEU 6 HD11 LEU 6 49.689 1.696 9.658 51 HD12 LEU 6 HD12 LEU 6 49.623 0.102 8.876 52 HD13 LEU 6 HD13 LEU 6 49.215 1.560 7.951 53 HD21 LEU 6 HD21 LEU 6 51.343 -0.169 6.722 54 HD22 LEU 6 HD22 LEU 6 52.519 1.150 6.510 55 HD23 LEU 6 HD23 LEU 6 50.787 1.446 6.230 56 H GLU 7 HN GLU 7 53.358 5.283 7.086 57 HA GLU 7 HA GLU 7 52.677 7.208 9.172 58 HB2 GLU 7 HB2 GLU 7 55.001 6.690 8.197 59 HB3 GLU 7 HB1 GLU 7 54.523 7.690 6.806 60 HG2 GLU 7 HG2 GLU 7 54.059 9.591 8.340 61 HG3 GLU 7 HG1 GLU 7 54.570 8.591 9.722 62 H ARG 8 HN ARG 8 51.686 6.690 5.918 63 HA ARG 8 HA ARG 8 51.104 9.365 5.106 64 HB2 ARG 8 HB2 ARG 8 51.083 7.229 3.700 65 HB3 ARG 8 HB1 ARG 8 49.480 6.896 4.393 66 HG2 ARG 8 HG2 ARG 8 48.697 9.124 3.566 67 HG3 ARG 8 HG1 ARG 8 50.284 9.367 2.795 68 HD2 ARG 8 HD2 ARG 8 49.958 7.403 1.386 69 HD3 ARG 8 HD1 ARG 8 48.443 7.004 2.229 70 HE ARG 8 HE ARG 8 48.192 9.644 1.196 71 HH11 ARG 8 HH11 ARG 8 46.165 9.258 -0.072 72 HH12 ARG 8 HH12 ARG 8 46.353 8.234 -1.456 73 HH21 ARG 8 HH21 ARG 8 49.480 7.076 -0.505 74 HH22 ARG 8 HH22 ARG 8 48.231 6.999 -1.700 75 H ILE 9 HN ILE 9 49.537 10.781 5.615 76 HA ILE 9 HA ILE 9 47.871 10.307 7.905 77 HB ILE 9 HB ILE 9 46.743 12.445 7.260 78 HG12 ILE 9 HG12 ILE 9 48.518 12.162 4.789 79 HG13 ILE 9 HG11 ILE 9 46.740 12.163 4.823 80 HG21 ILE 9 HG21 ILE 9 48.660 13.841 7.631 81 HG22 ILE 9 HG22 ILE 9 49.756 12.666 6.863 82 HG23 ILE 9 HG23 ILE 9 49.022 12.301 8.443 83 HD11 ILE 9 HD1 ILE 9 47.297 14.382 4.195 84 HD12 ILE 9 HD2 ILE 9 48.644 14.467 5.354 85 HD13 ILE 9 HD3 ILE 9 46.962 14.509 5.938 86 H GLY 10 HN GLY 10 47.348 9.997 4.418 87 HA2 GLY 10 HA1 GLY 10 45.599 9.060 3.236 88 HA3 GLY 10 HA2 GLY 10 45.208 8.157 4.713 89 H LYS 11 HN LYS 11 45.159 11.667 3.989 90 HA LYS 11 HA LYS 11 42.202 11.692 4.069 91 HB2 LYS 11 HB2 LYS 11 43.905 13.006 6.226 92 HB3 LYS 11 HB1 LYS 11 42.201 13.421 5.920 93 HG2 LYS 11 HG2 LYS 11 41.699 10.902 6.211 94 HG3 LYS 11 HG1 LYS 11 43.347 10.762 6.864 95 HD2 LYS 11 HD2 LYS 11 41.132 12.566 7.934 96 HD3 LYS 11 HD1 LYS 11 41.732 11.075 8.696 97 HE2 LYS 11 HE2 LYS 11 43.165 13.730 8.348 98 HE3 LYS 11 HE1 LYS 11 42.868 12.816 9.843 99 HZ1 LYS 11 HZ1 LYS 11 44.265 11.011 8.619 100 HZ2 LYS 11 HZ2 LYS 11 45.043 12.298 9.412 101 HZ3 LYS 11 HZ3 LYS 11 44.851 12.327 7.724 102 H ALA 12 HN ALA 12 42.937 12.332 1.852 103 HA ALA 12 HA ALA 12 44.176 14.985 1.590 104 HB1 ALA 12 HB1 ALA 12 44.433 13.071 -0.049 105 HB2 ALA 12 HB2 ALA 12 43.966 14.632 -0.766 106 HB3 ALA 12 HB3 ALA 12 42.745 13.357 -0.532 107 H GLY 13 HN GLY 13 42.063 15.328 3.250 108 HA2 GLY 13 HA1 GLY 13 40.221 16.695 3.522 109 HA3 GLY 13 HA2 GLY 13 40.554 17.348 1.908 110 H PHE 14 HN PHE 14 39.282 14.366 3.450 111 HA PHE 14 HA PHE 14 37.506 13.009 2.836 112 HB2 PHE 14 HB2 PHE 14 36.402 15.609 1.702 113 HB3 PHE 14 HB1 PHE 14 35.462 14.145 2.081 114 HD1 PHE 14 HD1 PHE 14 37.378 16.989 3.500 115 HD2 PHE 14 HD2 PHE 14 35.007 13.494 4.392 116 HE1 PHE 14 HE1 PHE 14 37.164 17.737 5.867 117 HE2 PHE 14 HE2 PHE 14 34.795 14.242 6.759 118 HZ PHE 14 HZ PHE 14 35.953 16.315 7.516 119 H ILE 15 HN ILE 15 39.755 13.310 0.953 120 HA ILE 15 HA ILE 15 40.289 12.627 -1.173 121 HB ILE 15 HB ILE 15 37.439 11.591 -1.459 122 HG12 ILE 15 HG12 ILE 15 39.817 10.325 -0.020 123 HG13 ILE 15 HG11 ILE 15 38.293 10.854 0.728 124 HG21 ILE 15 HG21 ILE 15 39.110 11.577 -3.405 125 HG22 ILE 15 HG22 ILE 15 38.413 10.002 -2.970 126 HG23 ILE 15 HG23 ILE 15 40.066 10.417 -2.455 127 HD11 ILE 15 HD1 ILE 15 37.999 8.518 0.440 128 HD12 ILE 15 HD2 ILE 15 38.768 8.527 -1.163 129 HD13 ILE 15 HD3 ILE 15 37.141 9.220 -0.951 130 H ILE 16 HN ILE 16 40.147 15.057 -1.268 131 HA ILE 16 HA ILE 16 38.461 15.784 -3.648 132 HB ILE 16 HB ILE 16 39.060 17.477 -1.190 133 HG12 ILE 16 HG12 ILE 16 37.186 15.666 -1.064 134 HG13 ILE 16 HG11 ILE 16 36.785 17.317 -0.566 135 HG21 ILE 16 HG21 ILE 16 37.509 19.138 -2.370 136 HG22 ILE 16 HG22 ILE 16 37.671 18.126 -3.825 137 HG23 ILE 16 HG23 ILE 16 39.101 18.915 -3.126 138 HD11 ILE 16 HD1 ILE 16 36.240 16.279 -3.382 139 HD12 ILE 16 HD2 ILE 16 35.613 17.756 -2.622 140 HD13 ILE 16 HD3 ILE 16 35.063 16.163 -2.059 141 H ILE 17 HN ILE 17 41.216 16.606 -1.510 142 HA ILE 17 HA ILE 17 42.548 18.195 -3.560 143 HB ILE 17 HB ILE 17 43.486 16.988 -0.913 144 HG12 ILE 17 HG12 ILE 17 43.554 19.361 -0.217 145 HG13 ILE 17 HG11 ILE 17 43.041 19.865 -1.844 146 HG21 ILE 17 HG21 ILE 17 45.481 17.035 -2.249 147 HG22 ILE 17 HG22 ILE 17 45.520 18.531 -1.289 148 HG23 ILE 17 HG23 ILE 17 45.029 18.583 -2.999 149 HD11 ILE 17 HD1 ILE 17 40.862 19.003 -1.564 150 HD12 ILE 17 HD2 ILE 17 41.228 19.658 0.046 151 HD13 ILE 17 HD3 ILE 17 41.353 17.908 -0.250 152 H GLY 18 HN GLY 18 42.881 14.903 -2.220 153 HA2 GLY 18 HA1 GLY 18 44.999 14.175 -4.088 154 HA3 GLY 18 HA2 GLY 18 44.116 13.089 -2.994 155 H GLY 19 HN GLY 19 41.510 13.399 -3.730 156 HA2 GLY 19 HA1 GLY 19 41.344 11.746 -6.047 157 HA3 GLY 19 HA2 GLY 19 39.997 12.631 -5.307 158 H ALA 20 HN ALA 20 40.900 15.265 -5.626 159 HA ALA 20 HA ALA 20 40.827 16.967 -7.193 160 HB1 ALA 20 HB1 ALA 20 42.102 15.034 -9.148 161 HB2 ALA 20 HB2 ALA 20 43.012 15.817 -7.834 162 HB3 ALA 20 HB3 ALA 20 42.240 16.806 -9.097 163 H LEU 21 HN LEU 21 39.014 14.259 -7.366 164 HA LEU 21 HA LEU 21 37.169 13.610 -8.625 165 HB2 LEU 21 HB2 LEU 21 36.875 16.548 -9.337 166 HB3 LEU 21 HB1 LEU 21 35.599 15.334 -9.082 167 HG LEU 21 HG LEU 21 37.484 16.452 -6.959 168 HD11 LEU 21 HD11 LEU 21 34.466 16.704 -7.329 169 HD12 LEU 21 HD12 LEU 21 35.652 17.975 -7.706 170 HD13 LEU 21 HD13 LEU 21 35.431 17.433 -6.025 171 HD21 LEU 21 HD21 LEU 21 35.868 15.121 -5.430 172 HD22 LEU 21 HD22 LEU 21 37.065 14.178 -6.345 173 HD23 LEU 21 HD23 LEU 21 35.376 14.253 -6.904 174 H ASP 22 HN ASP 22 39.916 14.294 -10.020 175 HA ASP 22 HA ASP 22 39.284 15.032 -12.715 176 HB2 ASP 22 HB2 ASP 22 41.580 14.995 -11.669 177 HB3 ASP 22 HB1 ASP 22 41.547 13.220 -11.797 178 H HIS 23 HN HIS 23 40.391 11.780 -11.686 179 HA HIS 23 HA HIS 23 38.095 10.428 -12.815 180 HB2 HIS 23 HB2 HIS 23 39.316 9.343 -14.723 181 HB3 HIS 23 HB1 HIS 23 39.029 11.084 -14.956 182 HD1 HIS 23 HD1 HIS 23 41.777 9.267 -12.968 183 HD2 HIS 23 HD2 HIS 23 41.354 12.007 -16.130 184 HE1 HIS 23 HE1 HIS 23 44.125 10.008 -13.653 185 H LEU 24 HN LEU 24 40.141 10.580 -10.536 186 HA LEU 24 HA LEU 24 41.542 8.026 -10.606 187 HB2 LEU 24 HB2 LEU 24 40.941 10.094 -8.465 188 HB3 LEU 24 HB1 LEU 24 41.702 8.542 -8.043 189 HG LEU 24 HG LEU 24 43.515 8.994 -9.685 190 HD11 LEU 24 HD11 LEU 24 43.642 11.443 -10.512 191 HD12 LEU 24 HD12 LEU 24 41.910 11.545 -10.114 192 HD13 LEU 24 HD13 LEU 24 42.479 10.377 -11.331 193 HD21 LEU 24 HD21 LEU 24 43.115 11.361 -7.806 194 HD22 LEU 24 HD22 LEU 24 44.659 10.668 -8.360 195 HD23 LEU 24 HD23 LEU 24 43.612 9.744 -7.255 Start of MODEL 36 1 H1 GLY 1 HT1 GLY 1 58.006 -3.625 -1.137 2 H2 GLY 1 HT2 GLY 1 58.113 -5.204 -0.514 3 H3 GLY 1 HT3 GLY 1 58.440 -3.867 0.484 4 HA2 GLY 1 HA1 GLY 1 55.899 -3.610 -0.672 5 HA3 GLY 1 HA2 GLY 1 56.061 -5.180 0.138 6 H LYS 2 HN LYS 2 57.459 -1.955 0.845 7 HA LYS 2 HA LYS 2 55.723 -1.513 3.122 8 HB2 LYS 2 HB2 LYS 2 57.254 -3.394 3.935 9 HB3 LYS 2 HB1 LYS 2 58.597 -2.233 3.813 10 HG2 LYS 2 HG2 LYS 2 57.553 -0.751 5.428 11 HG3 LYS 2 HG1 LYS 2 56.064 -1.727 5.437 12 HD2 LYS 2 HD2 LYS 2 57.247 -3.619 6.417 13 HD3 LYS 2 HD1 LYS 2 58.802 -2.765 6.278 14 HE2 LYS 2 HE2 LYS 2 58.040 -1.042 7.846 15 HE3 LYS 2 HE1 LYS 2 56.430 -1.793 7.929 16 HZ1 LYS 2 HZ1 LYS 2 58.829 -3.388 8.563 17 HZ2 LYS 2 HZ2 LYS 2 57.230 -3.583 9.106 18 HZ3 LYS 2 HZ3 LYS 2 58.195 -2.331 9.728 19 H GLY 3 HN GLY 3 56.309 0.427 4.328 20 HA2 GLY 3 HA1 GLY 3 58.359 2.233 4.046 21 HA3 GLY 3 HA2 GLY 3 57.449 2.477 2.480 22 H ARG 4 HN ARG 4 55.500 2.048 2.479 23 HA ARG 4 HA ARG 4 55.449 4.471 2.590 24 HB2 ARG 4 HB2 ARG 4 52.955 2.747 2.218 25 HB3 ARG 4 HB1 ARG 4 52.997 4.487 1.836 26 HG2 ARG 4 HG2 ARG 4 54.839 4.135 0.253 27 HG3 ARG 4 HG1 ARG 4 54.918 2.411 0.689 28 HD2 ARG 4 HD2 ARG 4 52.506 2.199 -0.069 29 HD3 ARG 4 HD1 ARG 4 52.621 3.864 -0.689 30 HE ARG 4 HE ARG 4 53.646 1.537 -2.014 31 HH11 ARG 4 HH11 ARG 4 53.413 4.806 -2.330 32 HH12 ARG 4 HH12 ARG 4 54.910 5.040 -3.169 33 HH21 ARG 4 HH21 ARG 4 56.043 1.813 -2.597 34 HH22 ARG 4 HH22 ARG 4 56.400 3.347 -3.320 35 H TRP 5 HN TRP 5 54.826 2.549 5.056 36 HA TRP 5 HA TRP 5 52.713 3.396 6.665 37 HB2 TRP 5 HB2 TRP 5 54.466 1.703 7.283 38 HB3 TRP 5 HB1 TRP 5 55.562 3.051 7.673 39 HD1 TRP 5 HD1 TRP 5 55.476 3.827 10.086 40 HE1 TRP 5 HE1 TRP 5 53.798 3.690 12.068 41 HE3 TRP 5 HE3 TRP 5 51.576 1.542 7.683 42 HZ2 TRP 5 HZ2 TRP 5 51.127 2.712 12.515 43 HZ3 TRP 5 HZ3 TRP 5 49.473 1.016 8.907 44 HH2 TRP 5 HH2 TRP 5 49.244 1.599 11.319 45 H LEU 6 HN LEU 6 55.367 5.288 5.545 46 HA LEU 6 HA LEU 6 54.686 7.521 7.449 47 HB2 LEU 6 HB2 LEU 6 57.185 7.298 5.735 48 HB3 LEU 6 HB1 LEU 6 56.895 8.349 7.140 49 HG LEU 6 HG LEU 6 57.081 5.301 7.197 50 HD11 LEU 6 HD11 LEU 6 59.245 6.475 6.816 51 HD12 LEU 6 HD12 LEU 6 59.183 5.700 8.418 52 HD13 LEU 6 HD13 LEU 6 58.953 7.459 8.270 53 HD21 LEU 6 HD21 LEU 6 56.518 7.406 9.329 54 HD22 LEU 6 HD22 LEU 6 57.163 5.799 9.741 55 HD23 LEU 6 HD23 LEU 6 55.579 5.942 8.947 56 H GLU 7 HN GLU 7 54.623 6.432 4.110 57 HA GLU 7 HA GLU 7 54.828 8.834 2.691 58 HB2 GLU 7 HB2 GLU 7 54.357 6.475 1.803 59 HB3 GLU 7 HB1 GLU 7 52.643 6.788 2.166 60 HG2 GLU 7 HG2 GLU 7 52.723 8.820 0.729 61 HG3 GLU 7 HG1 GLU 7 54.422 8.465 0.338 62 H ARG 8 HN ARG 8 52.366 7.848 4.959 63 HA ARG 8 HA ARG 8 50.471 8.938 5.734 64 HB2 ARG 8 HB2 ARG 8 52.262 10.743 6.051 65 HB3 ARG 8 HB1 ARG 8 51.663 11.469 4.540 66 HG2 ARG 8 HG2 ARG 8 49.411 11.683 5.500 67 HG3 ARG 8 HG1 ARG 8 49.949 10.880 6.995 68 HD2 ARG 8 HD2 ARG 8 51.652 12.718 7.291 69 HD3 ARG 8 HD1 ARG 8 50.924 13.550 5.896 70 HE ARG 8 HE ARG 8 49.862 13.549 8.569 71 HH11 ARG 8 HH11 ARG 8 47.509 12.361 8.081 72 HH12 ARG 8 HH12 ARG 8 46.567 13.404 7.068 73 HH21 ARG 8 HH21 ARG 8 49.282 15.299 6.038 74 HH22 ARG 8 HH22 ARG 8 47.570 15.067 5.914 75 H ILE 9 HN ILE 9 48.813 8.114 4.514 76 HA ILE 9 HA ILE 9 48.401 8.776 1.758 77 HB ILE 9 HB ILE 9 45.970 8.027 2.254 78 HG12 ILE 9 HG12 ILE 9 47.033 6.882 4.856 79 HG13 ILE 9 HG11 ILE 9 46.508 8.578 4.872 80 HG21 ILE 9 HG21 ILE 9 47.652 6.527 1.301 81 HG22 ILE 9 HG22 ILE 9 46.688 5.645 2.512 82 HG23 ILE 9 HG23 ILE 9 48.328 6.207 2.917 83 HD11 ILE 9 HD1 ILE 9 44.824 6.242 3.878 84 HD12 ILE 9 HD2 ILE 9 44.312 7.944 3.976 85 HD13 ILE 9 HD3 ILE 9 44.657 7.029 5.466 86 H GLY 10 HN GLY 10 48.020 10.689 0.951 87 HA2 GLY 10 HA1 GLY 10 46.981 12.879 2.541 88 HA3 GLY 10 HA2 GLY 10 47.308 12.895 0.797 89 H LYS 11 HN LYS 11 45.392 10.248 1.609 90 HA LYS 11 HA LYS 11 43.116 11.287 0.180 91 HB2 LYS 11 HB2 LYS 11 43.329 8.874 2.022 92 HB3 LYS 11 HB1 LYS 11 42.022 9.187 0.856 93 HG2 LYS 11 HG2 LYS 11 43.670 9.164 -0.999 94 HG3 LYS 11 HG1 LYS 11 44.974 8.839 0.169 95 HD2 LYS 11 HD2 LYS 11 43.728 6.756 0.875 96 HD3 LYS 11 HD1 LYS 11 42.581 7.054 -0.454 97 HE2 LYS 11 HE2 LYS 11 44.236 5.503 -1.285 98 HE3 LYS 11 HE1 LYS 11 44.579 7.082 -2.034 99 HZ1 LYS 11 HZ1 LYS 11 45.908 6.065 0.429 100 HZ2 LYS 11 HZ2 LYS 11 46.296 7.476 -0.434 101 HZ3 LYS 11 HZ3 LYS 11 46.568 5.950 -1.129 102 H ALA 12 HN ALA 12 41.923 12.926 0.946 103 HA ALA 12 HA ALA 12 41.553 13.328 3.817 104 HB1 ALA 12 HB1 ALA 12 41.594 15.147 2.047 105 HB2 ALA 12 HB2 ALA 12 40.230 15.220 3.189 106 HB3 ALA 12 HB3 ALA 12 39.983 14.584 1.545 107 H GLY 13 HN GLY 13 40.453 10.982 1.883 108 HA2 GLY 13 HA1 GLY 13 38.666 9.525 2.004 109 HA3 GLY 13 HA2 GLY 13 38.377 10.159 3.636 110 H PHE 14 HN PHE 14 38.350 12.377 0.940 111 HA PHE 14 HA PHE 14 35.450 12.140 0.500 112 HB2 PHE 14 HB2 PHE 14 36.610 14.491 2.045 113 HB3 PHE 14 HB1 PHE 14 35.019 14.520 1.251 114 HD1 PHE 14 HD1 PHE 14 36.691 13.787 4.304 115 HD2 PHE 14 HD2 PHE 14 33.473 12.397 1.780 116 HE1 PHE 14 HE1 PHE 14 35.668 12.617 6.249 117 HE2 PHE 14 HE2 PHE 14 32.454 11.227 3.727 118 HZ PHE 14 HZ PHE 14 33.582 11.289 5.948 119 H ILE 15 HN ILE 15 36.841 15.313 0.372 120 HA ILE 15 HA ILE 15 36.562 15.330 -2.535 121 HB ILE 15 HB ILE 15 37.420 17.726 -2.288 122 HG12 ILE 15 HG12 ILE 15 37.164 17.066 0.687 123 HG13 ILE 15 HG11 ILE 15 38.716 17.217 -0.163 124 HG21 ILE 15 HG21 ILE 15 35.089 17.003 -0.458 125 HG22 ILE 15 HG22 ILE 15 34.978 17.023 -2.234 126 HG23 ILE 15 HG23 ILE 15 35.331 18.523 -1.349 127 HD11 ILE 15 HD1 ILE 15 38.385 19.365 0.781 128 HD12 ILE 15 HD2 ILE 15 36.648 19.365 0.405 129 HD13 ILE 15 HD3 ILE 15 37.842 19.572 -0.900 130 H ILE 16 HN ILE 16 38.260 13.444 -2.418 131 HA ILE 16 HA ILE 16 40.751 14.636 -3.492 132 HB ILE 16 HB ILE 16 40.621 12.793 -1.078 133 HG12 ILE 16 HG12 ILE 16 40.755 15.209 -0.609 134 HG13 ILE 16 HG11 ILE 16 42.241 14.388 -0.108 135 HG21 ILE 16 HG21 ILE 16 42.261 11.551 -2.146 136 HG22 ILE 16 HG22 ILE 16 43.320 12.854 -1.568 137 HG23 ILE 16 HG23 ILE 16 42.716 12.876 -3.239 138 HD11 ILE 16 HD1 ILE 16 43.036 15.112 -2.597 139 HD12 ILE 16 HD2 ILE 16 43.178 16.213 -1.213 140 HD13 ILE 16 HD3 ILE 16 41.815 16.377 -2.338 141 H ILE 17 HN ILE 17 38.876 11.720 -2.636 142 HA ILE 17 HA ILE 17 39.885 10.379 -5.139 143 HB ILE 17 HB ILE 17 38.341 9.216 -2.776 144 HG12 ILE 17 HG12 ILE 17 40.570 9.878 -2.045 145 HG13 ILE 17 HG11 ILE 17 40.522 8.111 -2.201 146 HG21 ILE 17 HG21 ILE 17 37.847 7.741 -4.513 147 HG22 ILE 17 HG22 ILE 17 39.384 7.041 -3.962 148 HG23 ILE 17 HG23 ILE 17 39.347 8.088 -5.399 149 HD11 ILE 17 HD1 ILE 17 42.572 8.695 -3.227 150 HD12 ILE 17 HD2 ILE 17 41.890 10.143 -3.996 151 HD13 ILE 17 HD3 ILE 17 41.474 8.530 -4.611 152 H GLY 18 HN GLY 18 36.917 10.996 -3.220 153 HA2 GLY 18 HA1 GLY 18 35.153 10.154 -5.349 154 HA3 GLY 18 HA2 GLY 18 34.702 11.084 -3.905 155 H GLY 19 HN GLY 19 36.358 13.303 -4.182 156 HA2 GLY 19 HA1 GLY 19 34.890 14.756 -6.282 157 HA3 GLY 19 HA2 GLY 19 36.001 15.439 -5.076 158 H ALA 20 HN ALA 20 38.274 13.862 -5.530 159 HA ALA 20 HA ALA 20 40.185 13.998 -6.843 160 HB1 ALA 20 HB1 ALA 20 38.849 12.247 -8.030 161 HB2 ALA 20 HB2 ALA 20 39.969 13.135 -9.092 162 HB3 ALA 20 HB3 ALA 20 38.230 13.513 -9.115 163 H LEU 21 HN LEU 21 39.383 16.487 -6.171 164 HA LEU 21 HA LEU 21 38.994 18.181 -8.517 165 HB2 LEU 21 HB2 LEU 21 40.020 19.082 -5.805 166 HB3 LEU 21 HB1 LEU 21 39.069 20.004 -6.994 167 HG LEU 21 HG LEU 21 38.104 17.592 -5.391 168 HD11 LEU 21 HD11 LEU 21 36.591 19.254 -4.346 169 HD12 LEU 21 HD12 LEU 21 37.339 20.546 -5.315 170 HD13 LEU 21 HD13 LEU 21 38.296 19.687 -4.084 171 HD21 LEU 21 HD21 LEU 21 36.830 19.262 -7.600 172 HD22 LEU 21 HD22 LEU 21 35.852 18.341 -6.433 173 HD23 LEU 21 HD23 LEU 21 36.985 17.492 -7.506 174 H ASP 22 HN ASP 22 41.717 16.856 -6.758 175 HA ASP 22 HA ASP 22 43.665 18.758 -7.830 176 HB2 ASP 22 HB2 ASP 22 44.095 16.005 -6.605 177 HB3 ASP 22 HB1 ASP 22 45.322 17.277 -6.825 178 H HIS 23 HN HIS 23 43.413 15.194 -8.256 179 HA HIS 23 HA HIS 23 45.009 15.200 -10.641 180 HB2 HIS 23 HB2 HIS 23 44.599 13.221 -9.147 181 HB3 HIS 23 HB1 HIS 23 42.942 13.134 -9.793 182 HD1 HIS 23 HD1 HIS 23 42.752 11.441 -11.604 183 HD2 HIS 23 HD2 HIS 23 46.465 13.413 -11.688 184 HE1 HIS 23 HE1 HIS 23 44.087 10.465 -13.550 185 H LEU 24 HN LEU 24 42.071 16.592 -10.206 186 HA LEU 24 HA LEU 24 40.392 15.730 -12.264 187 HB2 LEU 24 HB2 LEU 24 40.207 17.691 -10.494 188 HB3 LEU 24 HB1 LEU 24 40.832 18.698 -11.817 189 HG LEU 24 HG LEU 24 38.327 16.950 -11.890 190 HD11 LEU 24 HD11 LEU 24 38.094 19.050 -10.601 191 HD12 LEU 24 HD12 LEU 24 37.169 19.133 -12.119 192 HD13 LEU 24 HD13 LEU 24 38.732 19.974 -11.982 193 HD21 LEU 24 HD21 LEU 24 38.034 18.215 -14.146 194 HD22 LEU 24 HD22 LEU 24 39.208 16.882 -14.106 195 HD23 LEU 24 HD23 LEU 24 39.775 18.568 -14.026 Start of MODEL 37 1 H1 GLY 1 HT1 GLY 1 63.407 0.274 1.654 2 H2 GLY 1 HT2 GLY 1 61.919 -0.096 2.387 3 H3 GLY 1 HT3 GLY 1 62.845 1.215 2.947 4 HA2 GLY 1 HA1 GLY 1 62.333 2.543 1.224 5 HA3 GLY 1 HA2 GLY 1 62.005 1.159 0.163 6 H LYS 2 HN LYS 2 60.551 0.161 2.835 7 HA LYS 2 HA LYS 2 57.902 0.946 1.871 8 HB2 LYS 2 HB2 LYS 2 58.627 -0.504 4.444 9 HB3 LYS 2 HB1 LYS 2 57.063 -0.517 3.595 10 HG2 LYS 2 HG2 LYS 2 58.172 -1.576 1.625 11 HG3 LYS 2 HG1 LYS 2 59.698 -1.628 2.538 12 HD2 LYS 2 HD2 LYS 2 58.639 -3.037 4.264 13 HD3 LYS 2 HD1 LYS 2 57.090 -2.961 3.391 14 HE2 LYS 2 HE2 LYS 2 58.043 -4.122 1.477 15 HE3 LYS 2 HE1 LYS 2 59.670 -4.062 2.198 16 HZ1 LYS 2 HZ1 LYS 2 58.650 -5.325 4.121 17 HZ2 LYS 2 HZ2 LYS 2 58.837 -6.189 2.670 18 HZ3 LYS 2 HZ3 LYS 2 57.308 -5.604 3.123 19 H GLY 3 HN GLY 3 59.491 3.200 2.639 20 HA2 GLY 3 HA1 GLY 3 59.209 4.313 5.173 21 HA3 GLY 3 HA2 GLY 3 58.839 5.292 3.681 22 H ARG 4 HN ARG 4 57.374 4.688 2.486 23 HA ARG 4 HA ARG 4 56.264 6.461 3.715 24 HB2 ARG 4 HB2 ARG 4 54.873 5.061 1.377 25 HB3 ARG 4 HB1 ARG 4 54.494 6.706 1.948 26 HG2 ARG 4 HG2 ARG 4 56.781 7.442 1.491 27 HG3 ARG 4 HG1 ARG 4 57.263 5.787 1.049 28 HD2 ARG 4 HD2 ARG 4 55.778 5.799 -0.874 29 HD3 ARG 4 HD1 ARG 4 55.088 7.366 -0.386 30 HE ARG 4 HE ARG 4 57.810 7.877 -0.648 31 HH11 ARG 4 HH11 ARG 4 56.374 9.415 -2.480 32 HH12 ARG 4 HH12 ARG 4 56.612 8.671 -4.025 33 HH21 ARG 4 HH21 ARG 4 57.677 5.647 -2.705 34 HH22 ARG 4 HH22 ARG 4 57.348 6.538 -4.153 35 H TRP 5 HN TRP 5 55.761 3.350 4.207 36 HA TRP 5 HA TRP 5 53.098 2.687 4.676 37 HB2 TRP 5 HB2 TRP 5 54.933 1.147 5.171 38 HB3 TRP 5 HB1 TRP 5 55.465 2.173 6.523 39 HD1 TRP 5 HD1 TRP 5 51.905 0.893 5.605 40 HE1 TRP 5 HE1 TRP 5 50.886 -0.294 7.678 41 HE3 TRP 5 HE3 TRP 5 55.897 1.261 8.792 42 HZ2 TRP 5 HZ2 TRP 5 51.716 -0.979 10.347 43 HZ3 TRP 5 HZ3 TRP 5 55.761 0.331 11.098 44 HH2 TRP 5 HH2 TRP 5 53.676 -0.788 11.877 45 H LEU 6 HN LEU 6 54.951 5.171 6.197 46 HA LEU 6 HA LEU 6 52.845 5.614 8.300 47 HB2 LEU 6 HB2 LEU 6 55.781 6.307 8.038 48 HB3 LEU 6 HB1 LEU 6 54.741 7.348 9.038 49 HG LEU 6 HG LEU 6 54.035 5.377 10.364 50 HD11 LEU 6 HD11 LEU 6 55.856 3.925 8.406 51 HD12 LEU 6 HD12 LEU 6 54.174 3.549 8.849 52 HD13 LEU 6 HD13 LEU 6 55.483 3.253 10.012 53 HD21 LEU 6 HD21 LEU 6 56.013 6.700 11.060 54 HD22 LEU 6 HD22 LEU 6 57.063 5.657 10.071 55 HD23 LEU 6 HD23 LEU 6 56.215 4.985 11.485 56 H GLU 7 HN GLU 7 54.339 6.903 5.352 57 HA GLU 7 HA GLU 7 52.973 9.534 5.734 58 HB2 GLU 7 HB2 GLU 7 54.736 8.507 3.473 59 HB3 GLU 7 HB1 GLU 7 54.166 10.178 3.691 60 HG2 GLU 7 HG2 GLU 7 55.846 8.664 5.739 61 HG3 GLU 7 HG1 GLU 7 56.519 9.782 4.527 62 H ARG 8 HN ARG 8 51.293 7.208 5.513 63 HA ARG 8 HA ARG 8 50.353 6.931 2.789 64 HB2 ARG 8 HB2 ARG 8 48.324 5.910 3.922 65 HB3 ARG 8 HB1 ARG 8 49.883 5.162 4.347 66 HG2 ARG 8 HG2 ARG 8 49.968 6.325 6.455 67 HG3 ARG 8 HG1 ARG 8 48.597 7.367 6.007 68 HD2 ARG 8 HD2 ARG 8 47.849 5.577 7.531 69 HD3 ARG 8 HD1 ARG 8 47.120 5.367 5.922 70 HE ARG 8 HE ARG 8 49.548 3.865 6.014 71 HH11 ARG 8 HH11 ARG 8 48.150 1.942 5.087 72 HH12 ARG 8 HH12 ARG 8 47.275 1.129 6.342 73 HH21 ARG 8 HH21 ARG 8 47.657 3.700 8.637 74 HH22 ARG 8 HH22 ARG 8 46.995 2.125 8.352 75 H ILE 9 HN ILE 9 47.947 7.385 2.301 76 HA ILE 9 HA ILE 9 46.722 9.669 3.557 77 HB ILE 9 HB ILE 9 48.512 10.956 2.487 78 HG12 ILE 9 HG12 ILE 9 47.194 12.484 1.102 79 HG13 ILE 9 HG11 ILE 9 45.957 11.240 0.829 80 HG21 ILE 9 HG21 ILE 9 48.937 9.146 0.716 81 HG22 ILE 9 HG22 ILE 9 49.042 10.832 0.163 82 HG23 ILE 9 HG23 ILE 9 47.593 9.866 -0.198 83 HD11 ILE 9 HD1 ILE 9 46.673 12.092 3.656 84 HD12 ILE 9 HD2 ILE 9 45.165 11.361 3.053 85 HD13 ILE 9 HD3 ILE 9 45.541 13.058 2.680 86 H GLY 10 HN GLY 10 44.625 9.410 3.237 87 HA2 GLY 10 HA1 GLY 10 43.452 8.964 0.662 88 HA3 GLY 10 HA2 GLY 10 43.551 7.423 1.538 89 H LYS 11 HN LYS 11 43.229 10.422 3.296 90 HA LYS 11 HA LYS 11 40.793 9.510 4.560 91 HB2 LYS 11 HB2 LYS 11 42.291 12.152 4.537 92 HB3 LYS 11 HB1 LYS 11 40.786 11.932 5.459 93 HG2 LYS 11 HG2 LYS 11 43.045 9.921 5.801 94 HG3 LYS 11 HG1 LYS 11 43.153 11.495 6.619 95 HD2 LYS 11 HD2 LYS 11 40.928 11.089 7.669 96 HD3 LYS 11 HD1 LYS 11 40.869 9.487 6.897 97 HE2 LYS 11 HE2 LYS 11 41.686 9.225 9.179 98 HE3 LYS 11 HE1 LYS 11 43.025 8.908 8.051 99 HZ1 LYS 11 HZ1 LYS 11 42.757 10.963 10.024 100 HZ2 LYS 11 HZ2 LYS 11 43.110 11.611 8.493 101 HZ3 LYS 11 HZ3 LYS 11 44.136 10.446 9.184 102 H ALA 12 HN ALA 12 41.346 10.792 1.504 103 HA ALA 12 HA ALA 12 39.941 11.767 -0.062 104 HB1 ALA 12 HB1 ALA 12 37.628 11.111 -0.028 105 HB2 ALA 12 HB2 ALA 12 37.687 10.789 1.722 106 HB3 ALA 12 HB3 ALA 12 38.579 9.742 0.593 107 H GLY 13 HN GLY 13 40.990 13.680 1.289 108 HA2 GLY 13 HA1 GLY 13 39.602 15.264 3.083 109 HA3 GLY 13 HA2 GLY 13 40.630 15.922 1.795 110 H PHE 14 HN PHE 14 37.362 15.055 2.767 111 HA PHE 14 HA PHE 14 35.299 15.697 1.898 112 HB2 PHE 14 HB2 PHE 14 36.936 18.069 0.905 113 HB3 PHE 14 HB1 PHE 14 35.158 17.996 0.962 114 HD1 PHE 14 HD1 PHE 14 33.971 17.822 3.157 115 HD2 PHE 14 HD2 PHE 14 38.242 18.400 2.919 116 HE1 PHE 14 HE1 PHE 14 34.011 18.515 5.549 117 HE2 PHE 14 HE2 PHE 14 38.282 19.094 5.312 118 HZ PHE 14 HZ PHE 14 36.173 19.104 6.640 119 H ILE 15 HN ILE 15 36.744 13.839 0.419 120 HA ILE 15 HA ILE 15 36.718 12.805 -1.640 121 HB ILE 15 HB ILE 15 34.731 14.909 -2.579 122 HG12 ILE 15 HG12 ILE 15 34.208 12.353 -0.993 123 HG13 ILE 15 HG11 ILE 15 34.010 14.009 -0.376 124 HG21 ILE 15 HG21 ILE 15 35.770 13.213 -4.190 125 HG22 ILE 15 HG22 ILE 15 33.996 13.204 -4.099 126 HG23 ILE 15 HG23 ILE 15 34.937 11.950 -3.255 127 HD11 ILE 15 HD1 ILE 15 32.404 14.349 -2.409 128 HD12 ILE 15 HD2 ILE 15 31.817 13.393 -1.028 129 HD13 ILE 15 HD3 ILE 15 32.386 12.571 -2.498 130 H ILE 16 HN ILE 16 38.916 13.496 -1.931 131 HA ILE 16 HA ILE 16 39.155 15.284 -4.306 132 HB ILE 16 HB ILE 16 39.589 16.821 -2.442 133 HG12 ILE 16 HG12 ILE 16 41.885 17.525 -2.988 134 HG13 ILE 16 HG11 ILE 16 42.235 15.938 -3.703 135 HG21 ILE 16 HG21 ILE 16 41.070 16.402 -0.654 136 HG22 ILE 16 HG22 ILE 16 41.904 15.086 -1.510 137 HG23 ILE 16 HG23 ILE 16 40.263 14.833 -0.869 138 HD11 ILE 16 HD1 ILE 16 39.894 17.579 -4.727 139 HD12 ILE 16 HD2 ILE 16 40.840 16.328 -5.569 140 HD13 ILE 16 HD3 ILE 16 41.547 17.934 -5.281 141 H ILE 17 HN ILE 17 41.113 13.419 -1.916 142 HA ILE 17 HA ILE 17 42.808 12.435 -4.143 143 HB ILE 17 HB ILE 17 43.950 12.974 -2.043 144 HG12 ILE 17 HG12 ILE 17 45.102 10.863 -1.601 145 HG13 ILE 17 HG11 ILE 17 43.761 9.932 -2.299 146 HG21 ILE 17 HG21 ILE 17 42.059 12.710 -0.508 147 HG22 ILE 17 HG22 ILE 17 43.426 11.710 0.039 148 HG23 ILE 17 HG23 ILE 17 42.044 10.953 -0.789 149 HD11 ILE 17 HD1 ILE 17 45.191 12.042 -3.953 150 HD12 ILE 17 HD2 ILE 17 44.264 10.628 -4.507 151 HD13 ILE 17 HD3 ILE 17 45.873 10.407 -3.785 152 H GLY 18 HN GLY 18 40.104 11.519 -2.148 153 HA2 GLY 18 HA1 GLY 18 40.261 8.663 -2.745 154 HA3 GLY 18 HA2 GLY 18 38.909 9.526 -1.983 155 H GLY 19 HN GLY 19 38.040 11.333 -3.709 156 HA2 GLY 19 HA1 GLY 19 36.800 9.696 -5.764 157 HA3 GLY 19 HA2 GLY 19 36.592 11.442 -5.523 158 H ALA 20 HN ALA 20 39.252 12.313 -5.738 159 HA ALA 20 HA ALA 20 40.698 13.015 -7.411 160 HB1 ALA 20 HB1 ALA 20 41.753 11.283 -8.728 161 HB2 ALA 20 HB2 ALA 20 40.390 10.175 -8.438 162 HB3 ALA 20 HB3 ALA 20 41.454 10.650 -7.093 163 H LEU 21 HN LEU 21 37.928 13.543 -7.852 164 HA LEU 21 HA LEU 21 37.583 13.112 -10.803 165 HB2 LEU 21 HB2 LEU 21 35.615 14.377 -8.863 166 HB3 LEU 21 HB1 LEU 21 35.291 13.697 -10.474 167 HG LEU 21 HG LEU 21 36.210 12.126 -8.024 168 HD11 LEU 21 HD11 LEU 21 33.545 12.225 -9.508 169 HD12 LEU 21 HD12 LEU 21 33.864 12.884 -7.886 170 HD13 LEU 21 HD13 LEU 21 33.937 11.128 -8.164 171 HD21 LEU 21 HD21 LEU 21 37.102 10.993 -9.928 172 HD22 LEU 21 HD22 LEU 21 35.671 11.358 -10.923 173 HD23 LEU 21 HD23 LEU 21 35.562 10.164 -9.607 174 H ASP 22 HN ASP 22 38.487 15.474 -8.430 175 HA ASP 22 HA ASP 22 37.691 17.893 -9.596 176 HB2 ASP 22 HB2 ASP 22 38.921 17.693 -7.450 177 HB3 ASP 22 HB1 ASP 22 40.401 17.278 -8.351 178 H HIS 23 HN HIS 23 40.662 16.005 -10.306 179 HA HIS 23 HA HIS 23 40.567 16.788 -13.111 180 HB2 HIS 23 HB2 HIS 23 41.462 18.883 -12.133 181 HB3 HIS 23 HB1 HIS 23 42.784 17.958 -11.382 182 HD1 HIS 23 HD1 HIS 23 44.837 17.559 -12.769 183 HD2 HIS 23 HD2 HIS 23 41.500 18.560 -15.123 184 HE1 HIS 23 HE1 HIS 23 45.656 17.841 -15.171 185 H LEU 24 HN LEU 24 41.931 15.181 -10.361 186 HA LEU 24 HA LEU 24 44.085 13.841 -11.794 187 HB2 LEU 24 HB2 LEU 24 42.700 13.422 -9.124 188 HB3 LEU 24 HB1 LEU 24 43.925 12.278 -9.719 189 HG LEU 24 HG LEU 24 45.592 14.057 -9.858 190 HD11 LEU 24 HD11 LEU 24 44.907 16.357 -8.865 191 HD12 LEU 24 HD12 LEU 24 43.228 15.838 -9.150 192 HD13 LEU 24 HD13 LEU 24 44.361 15.987 -10.516 193 HD21 LEU 24 HD21 LEU 24 44.115 14.316 -7.204 194 HD22 LEU 24 HD22 LEU 24 45.862 14.502 -7.492 195 HD23 LEU 24 HD23 LEU 24 45.100 12.901 -7.648 Start of MODEL 38 1 H1 GLY 1 HT1 GLY 1 59.796 8.810 10.426 2 H2 GLY 1 HT2 GLY 1 60.865 7.657 9.783 3 H3 GLY 1 HT3 GLY 1 60.921 8.045 11.437 4 HA2 GLY 1 HA1 GLY 1 59.541 6.449 11.876 5 HA3 GLY 1 HA2 GLY 1 58.333 7.300 10.894 6 H LYS 2 HN LYS 2 57.974 4.722 10.886 7 HA LYS 2 HA LYS 2 58.777 3.925 8.134 8 HB2 LYS 2 HB2 LYS 2 59.370 2.236 10.600 9 HB3 LYS 2 HB1 LYS 2 59.462 1.654 8.922 10 HG2 LYS 2 HG2 LYS 2 61.096 3.569 8.473 11 HG3 LYS 2 HG1 LYS 2 61.142 3.829 10.233 12 HD2 LYS 2 HD2 LYS 2 61.899 1.510 10.580 13 HD3 LYS 2 HD1 LYS 2 61.810 1.205 8.828 14 HE2 LYS 2 HE2 LYS 2 64.133 1.708 9.501 15 HE3 LYS 2 HE1 LYS 2 63.498 2.989 8.440 16 HZ1 LYS 2 HZ1 LYS 2 64.501 3.235 11.042 17 HZ2 LYS 2 HZ2 LYS 2 62.845 3.608 11.102 18 HZ3 LYS 2 HZ3 LYS 2 63.870 4.452 10.042 19 H GLY 3 HN GLY 3 57.757 1.571 7.787 20 HA2 GLY 3 HA1 GLY 3 55.775 0.158 8.298 21 HA3 GLY 3 HA2 GLY 3 54.929 1.616 8.994 22 H ARG 4 HN ARG 4 55.152 3.371 8.078 23 HA ARG 4 HA ARG 4 52.962 2.704 7.278 24 HB2 ARG 4 HB2 ARG 4 54.097 5.470 6.630 25 HB3 ARG 4 HB1 ARG 4 52.362 5.069 6.679 26 HG2 ARG 4 HG2 ARG 4 52.596 4.330 9.035 27 HG3 ARG 4 HG1 ARG 4 54.327 4.741 8.991 28 HD2 ARG 4 HD2 ARG 4 52.124 6.757 8.393 29 HD3 ARG 4 HD1 ARG 4 52.819 6.525 10.015 30 HE ARG 4 HE ARG 4 54.951 6.934 8.146 31 HH11 ARG 4 HH11 ARG 4 55.979 8.948 8.193 32 HH12 ARG 4 HH12 ARG 4 55.116 10.331 8.778 33 HH21 ARG 4 HH21 ARG 4 52.241 8.548 9.537 34 HH22 ARG 4 HH22 ARG 4 53.000 10.105 9.538 35 H TRP 5 HN TRP 5 55.613 2.595 5.522 36 HA TRP 5 HA TRP 5 55.299 3.392 2.875 37 HB2 TRP 5 HB2 TRP 5 56.295 0.718 3.930 38 HB3 TRP 5 HB1 TRP 5 56.450 1.208 2.226 39 HD1 TRP 5 HD1 TRP 5 57.457 2.443 5.754 40 HE1 TRP 5 HE1 TRP 5 59.664 3.809 5.575 41 HE3 TRP 5 HE3 TRP 5 58.023 2.395 0.667 42 HZ2 TRP 5 HZ2 TRP 5 61.413 4.739 3.483 43 HZ3 TRP 5 HZ3 TRP 5 59.967 3.527 -0.398 44 HH2 TRP 5 HH2 TRP 5 61.661 4.698 1.003 45 H LEU 6 HN LEU 6 53.289 1.188 4.615 46 HA LEU 6 HA LEU 6 51.867 0.388 2.082 47 HB2 LEU 6 HB2 LEU 6 52.887 -1.412 3.636 48 HB3 LEU 6 HB1 LEU 6 51.624 -0.952 4.797 49 HG LEU 6 HG LEU 6 49.992 -1.285 2.703 50 HD11 LEU 6 HD11 LEU 6 51.732 -1.678 1.011 51 HD12 LEU 6 HD12 LEU 6 50.787 -3.164 1.249 52 HD13 LEU 6 HD13 LEU 6 52.403 -3.014 1.976 53 HD21 LEU 6 HD21 LEU 6 49.762 -3.707 3.324 54 HD22 LEU 6 HD22 LEU 6 49.860 -2.632 4.740 55 HD23 LEU 6 HD23 LEU 6 51.281 -3.582 4.243 56 H GLU 7 HN GLU 7 51.673 2.094 5.154 57 HA GLU 7 HA GLU 7 48.685 2.309 4.884 58 HB2 GLU 7 HB2 GLU 7 50.582 3.077 7.140 59 HB3 GLU 7 HB1 GLU 7 48.813 3.281 7.165 60 HG2 GLU 7 HG2 GLU 7 50.185 0.602 6.684 61 HG3 GLU 7 HG1 GLU 7 49.667 1.160 8.293 62 H ARG 8 HN ARG 8 50.347 3.629 2.957 63 HA ARG 8 HA ARG 8 51.001 6.300 3.530 64 HB2 ARG 8 HB2 ARG 8 50.565 6.745 1.128 65 HB3 ARG 8 HB1 ARG 8 51.473 5.232 1.368 66 HG2 ARG 8 HG2 ARG 8 49.275 3.984 1.271 67 HG3 ARG 8 HG1 ARG 8 48.489 5.517 0.822 68 HD2 ARG 8 HD2 ARG 8 49.987 5.707 -1.147 69 HD3 ARG 8 HD1 ARG 8 50.757 4.164 -0.705 70 HE ARG 8 HE ARG 8 47.902 3.821 -0.942 71 HH11 ARG 8 HH11 ARG 8 50.113 2.048 -2.065 72 HH12 ARG 8 HH12 ARG 8 49.848 2.219 -3.767 73 HH21 ARG 8 HH21 ARG 8 47.842 5.029 -3.440 74 HH22 ARG 8 HH22 ARG 8 48.562 3.908 -4.546 75 H ILE 9 HN ILE 9 49.931 8.210 3.733 76 HA ILE 9 HA ILE 9 47.306 8.217 4.729 77 HB ILE 9 HB ILE 9 48.736 10.128 5.118 78 HG12 ILE 9 HG12 ILE 9 47.257 11.984 4.591 79 HG13 ILE 9 HG11 ILE 9 46.509 11.084 3.254 80 HG21 ILE 9 HG21 ILE 9 49.908 9.883 2.828 81 HG22 ILE 9 HG22 ILE 9 49.655 11.533 3.438 82 HG23 ILE 9 HG23 ILE 9 48.590 10.882 2.175 83 HD11 ILE 9 HD1 ILE 9 45.389 9.595 4.723 84 HD12 ILE 9 HD2 ILE 9 45.238 11.174 5.528 85 HD13 ILE 9 HD3 ILE 9 46.451 10.000 6.093 86 H GLY 10 HN GLY 10 48.362 9.203 1.428 87 HA2 GLY 10 HA1 GLY 10 47.235 8.960 -0.589 88 HA3 GLY 10 HA2 GLY 10 46.019 7.965 0.236 89 H LYS 11 HN LYS 11 45.253 9.873 2.226 90 HA LYS 11 HA LYS 11 43.403 11.454 0.595 91 HB2 LYS 11 HB2 LYS 11 43.841 11.579 3.600 92 HB3 LYS 11 HB1 LYS 11 42.391 12.066 2.689 93 HG2 LYS 11 HG2 LYS 11 42.274 9.618 1.875 94 HG3 LYS 11 HG1 LYS 11 43.477 9.258 3.136 95 HD2 LYS 11 HD2 LYS 11 40.756 10.559 3.602 96 HD3 LYS 11 HD1 LYS 11 41.167 8.864 3.955 97 HE2 LYS 11 HE2 LYS 11 43.078 9.833 5.428 98 HE3 LYS 11 HE1 LYS 11 42.210 11.381 5.297 99 HZ1 LYS 11 HZ1 LYS 11 41.061 8.822 6.296 100 HZ2 LYS 11 HZ2 LYS 11 40.232 10.300 6.171 101 HZ3 LYS 11 HZ3 LYS 11 41.529 10.139 7.257 102 H ALA 12 HN ALA 12 44.232 13.161 -0.460 103 HA ALA 12 HA ALA 12 46.380 14.779 0.707 104 HB1 ALA 12 HB1 ALA 12 46.256 14.458 -1.701 105 HB2 ALA 12 HB2 ALA 12 46.023 16.181 -1.319 106 HB3 ALA 12 HB3 ALA 12 44.624 15.163 -1.742 107 H GLY 13 HN GLY 13 43.357 14.469 1.696 108 HA2 GLY 13 HA1 GLY 13 41.792 15.851 2.694 109 HA3 GLY 13 HA2 GLY 13 43.206 16.793 3.208 110 H PHE 14 HN PHE 14 42.185 16.308 -0.147 111 HA PHE 14 HA PHE 14 40.806 18.881 -0.298 112 HB2 PHE 14 HB2 PHE 14 43.334 19.435 -0.226 113 HB3 PHE 14 HB1 PHE 14 43.425 18.686 -1.836 114 HD1 PHE 14 HD1 PHE 14 41.785 19.551 -3.657 115 HD2 PHE 14 HD2 PHE 14 42.610 21.689 0.002 116 HE1 PHE 14 HE1 PHE 14 40.935 21.653 -4.692 117 HE2 PHE 14 HE2 PHE 14 41.760 23.788 -1.033 118 HZ PHE 14 HZ PHE 14 40.859 23.754 -3.356 119 H ILE 15 HN ILE 15 42.901 17.115 -2.620 120 HA ILE 15 HA ILE 15 40.648 16.932 -4.507 121 HB ILE 15 HB ILE 15 42.339 15.691 -5.936 122 HG12 ILE 15 HG12 ILE 15 44.245 16.470 -3.678 123 HG13 ILE 15 HG11 ILE 15 43.666 14.816 -3.976 124 HG21 ILE 15 HG21 ILE 15 43.567 17.676 -6.521 125 HG22 ILE 15 HG22 ILE 15 43.420 18.336 -4.877 126 HG23 ILE 15 HG23 ILE 15 41.987 18.229 -5.926 127 HD11 ILE 15 HD1 ILE 15 44.586 15.139 -6.393 128 HD12 ILE 15 HD2 ILE 15 45.764 14.899 -5.081 129 HD13 ILE 15 HD3 ILE 15 45.466 16.532 -5.718 130 H ILE 16 HN ILE 16 40.191 15.652 -2.030 131 HA ILE 16 HA ILE 16 39.721 12.892 -3.034 132 HB ILE 16 HB ILE 16 41.927 12.997 -1.695 133 HG12 ILE 16 HG12 ILE 16 41.083 10.970 -0.171 134 HG13 ILE 16 HG11 ILE 16 39.564 11.182 -1.070 135 HG21 ILE 16 HG21 ILE 16 40.067 13.190 0.698 136 HG22 ILE 16 HG22 ILE 16 40.903 14.609 0.019 137 HG23 ILE 16 HG23 ILE 16 41.845 13.250 0.675 138 HD11 ILE 16 HD1 ILE 16 42.294 10.793 -2.388 139 HD12 ILE 16 HD2 ILE 16 40.708 10.793 -3.194 140 HD13 ILE 16 HD3 ILE 16 41.138 9.480 -2.076 141 H ILE 17 HN ILE 17 39.283 15.316 -0.444 142 HA ILE 17 HA ILE 17 36.842 14.008 0.530 143 HB ILE 17 HB ILE 17 36.547 16.223 1.814 144 HG12 ILE 17 HG12 ILE 17 38.639 17.617 1.972 145 HG13 ILE 17 HG11 ILE 17 39.308 16.722 0.595 146 HG21 ILE 17 HG21 ILE 17 38.272 15.666 3.429 147 HG22 ILE 17 HG22 ILE 17 39.212 14.800 2.194 148 HG23 ILE 17 HG23 ILE 17 37.644 14.155 2.734 149 HD11 ILE 17 HD1 ILE 17 38.055 19.036 0.204 150 HD12 ILE 17 HD2 ILE 17 36.588 18.036 0.311 151 HD13 ILE 17 HD3 ILE 17 37.812 17.696 -0.936 152 H GLY 18 HN GLY 18 37.550 15.556 -2.260 153 HA2 GLY 18 HA1 GLY 18 34.715 16.135 -2.788 154 HA3 GLY 18 HA2 GLY 18 35.780 17.556 -2.811 155 H GLY 19 HN GLY 19 38.115 16.413 -3.888 156 HA2 GLY 19 HA1 GLY 19 37.521 16.564 -6.672 157 HA3 GLY 19 HA2 GLY 19 39.038 15.978 -5.963 158 H ALA 20 HN ALA 20 37.873 13.815 -4.461 159 HA ALA 20 HA ALA 20 37.460 11.558 -4.774 160 HB1 ALA 20 HB1 ALA 20 35.216 12.506 -5.360 161 HB2 ALA 20 HB2 ALA 20 35.578 10.961 -6.168 162 HB3 ALA 20 HB3 ALA 20 35.707 12.490 -7.071 163 H LEU 21 HN LEU 21 39.307 13.295 -6.768 164 HA LEU 21 HA LEU 21 40.713 12.806 -8.546 165 HB2 LEU 21 HB2 LEU 21 41.297 11.091 -6.639 166 HB3 LEU 21 HB1 LEU 21 40.551 9.893 -7.717 167 HG LEU 21 HG LEU 21 42.156 10.989 -9.556 168 HD11 LEU 21 HD11 LEU 21 43.569 11.655 -6.932 169 HD12 LEU 21 HD12 LEU 21 43.013 12.821 -8.155 170 HD13 LEU 21 HD13 LEU 21 44.332 11.694 -8.538 171 HD21 LEU 21 HD21 LEU 21 43.961 9.371 -8.876 172 HD22 LEU 21 HD22 LEU 21 42.330 8.657 -8.862 173 HD23 LEU 21 HD23 LEU 21 43.108 9.131 -7.332 174 H ASP 22 HN ASP 22 37.631 12.228 -8.724 175 HA ASP 22 HA ASP 22 37.414 10.185 -10.775 176 HB2 ASP 22 HB2 ASP 22 35.548 10.960 -9.254 177 HB3 ASP 22 HB1 ASP 22 35.491 12.469 -10.196 178 H HIS 23 HN HIS 23 37.656 13.740 -10.754 179 HA HIS 23 HA HIS 23 38.799 13.733 -13.431 180 HB2 HIS 23 HB2 HIS 23 37.026 15.043 -14.532 181 HB3 HIS 23 HB1 HIS 23 36.416 13.449 -14.028 182 HD1 HIS 23 HD1 HIS 23 36.186 14.267 -10.917 183 HD2 HIS 23 HD2 HIS 23 34.575 16.404 -14.160 184 HE1 HIS 23 HE1 HIS 23 34.223 15.638 -10.026 185 H LEU 24 HN LEU 24 38.770 14.794 -10.456 186 HA LEU 24 HA LEU 24 40.170 17.249 -11.087 187 HB2 LEU 24 HB2 LEU 24 37.720 17.928 -11.323 188 HB3 LEU 24 HB1 LEU 24 37.545 17.578 -9.590 189 HG LEU 24 HG LEU 24 39.632 19.192 -9.312 190 HD11 LEU 24 HD11 LEU 24 38.539 19.999 -12.048 191 HD12 LEU 24 HD12 LEU 24 40.202 19.498 -11.664 192 HD13 LEU 24 HD13 LEU 24 39.570 21.036 -11.039 193 HD21 LEU 24 HD21 LEU 24 37.382 19.692 -8.450 194 HD22 LEU 24 HD22 LEU 24 36.857 20.214 -10.069 195 HD23 LEU 24 HD23 LEU 24 38.089 21.149 -9.187 Start of MODEL 39 1 H1 GLY 1 HT1 GLY 1 55.269 0.088 11.026 2 H2 GLY 1 HT2 GLY 1 56.423 1.313 10.791 3 H3 GLY 1 HT3 GLY 1 56.684 0.107 11.959 4 HA2 GLY 1 HA1 GLY 1 57.955 -0.751 10.378 5 HA3 GLY 1 HA2 GLY 1 56.392 -1.438 9.894 6 H LYS 2 HN LYS 2 58.462 -1.143 8.079 7 HA LYS 2 HA LYS 2 58.480 1.292 6.620 8 HB2 LYS 2 HB2 LYS 2 59.167 -0.163 4.675 9 HB3 LYS 2 HB1 LYS 2 60.116 -0.424 6.158 10 HG2 LYS 2 HG2 LYS 2 58.656 -2.369 6.725 11 HG3 LYS 2 HG1 LYS 2 57.775 -2.128 5.197 12 HD2 LYS 2 HD2 LYS 2 59.870 -2.472 3.926 13 HD3 LYS 2 HD1 LYS 2 60.760 -2.701 5.451 14 HE2 LYS 2 HE2 LYS 2 59.210 -4.622 5.986 15 HE3 LYS 2 HE1 LYS 2 58.513 -4.447 4.358 16 HZ1 LYS 2 HZ1 LYS 2 61.277 -4.481 4.060 17 HZ2 LYS 2 HZ2 LYS 2 60.169 -5.686 3.604 18 HZ3 LYS 2 HZ3 LYS 2 60.906 -5.740 5.134 19 H GLY 3 HN GLY 3 57.659 1.433 4.273 20 HA2 GLY 3 HA1 GLY 3 55.800 1.014 2.713 21 HA3 GLY 3 HA2 GLY 3 54.772 0.410 4.093 22 H ARG 4 HN ARG 4 54.843 1.370 5.825 23 HA ARG 4 HA ARG 4 52.782 2.250 4.901 24 HB2 ARG 4 HB2 ARG 4 53.697 2.852 7.753 25 HB3 ARG 4 HB1 ARG 4 52.012 3.033 7.204 26 HG2 ARG 4 HG2 ARG 4 51.869 0.688 6.617 27 HG3 ARG 4 HG1 ARG 4 53.614 0.460 6.887 28 HD2 ARG 4 HD2 ARG 4 53.371 0.853 9.265 29 HD3 ARG 4 HD1 ARG 4 51.670 1.340 9.062 30 HE ARG 4 HE ARG 4 51.815 -1.257 8.026 31 HH11 ARG 4 HH11 ARG 4 52.308 -3.137 9.332 32 HH12 ARG 4 HH12 ARG 4 52.068 -2.993 11.042 33 HH21 ARG 4 HH21 ARG 4 51.596 0.440 10.955 34 HH22 ARG 4 HH22 ARG 4 51.664 -0.968 11.960 35 H TRP 5 HN TRP 5 55.510 3.878 5.037 36 HA TRP 5 HA TRP 5 55.240 6.560 5.722 37 HB2 TRP 5 HB2 TRP 5 56.361 5.671 3.042 38 HB3 TRP 5 HB1 TRP 5 56.842 7.093 4.000 39 HD1 TRP 5 HD1 TRP 5 57.630 3.503 3.481 40 HE1 TRP 5 HE1 TRP 5 59.350 2.653 5.235 41 HE3 TRP 5 HE3 TRP 5 57.496 7.461 6.725 42 HZ2 TRP 5 HZ2 TRP 5 60.493 3.591 7.706 43 HZ3 TRP 5 HZ3 TRP 5 58.910 7.463 8.774 44 HH2 TRP 5 HH2 TRP 5 60.407 5.534 9.268 45 H LEU 6 HN LEU 6 53.429 4.831 3.337 46 HA LEU 6 HA LEU 6 52.286 7.392 2.233 47 HB2 LEU 6 HB2 LEU 6 51.995 4.604 1.062 48 HB3 LEU 6 HB1 LEU 6 51.694 6.171 0.276 49 HG LEU 6 HG LEU 6 54.405 5.121 1.204 50 HD11 LEU 6 HD11 LEU 6 54.911 4.944 -1.172 51 HD12 LEU 6 HD12 LEU 6 53.339 5.661 -1.602 52 HD13 LEU 6 HD13 LEU 6 53.407 4.049 -0.849 53 HD21 LEU 6 HD21 LEU 6 54.494 7.495 1.437 54 HD22 LEU 6 HD22 LEU 6 53.496 7.762 -0.013 55 HD23 LEU 6 HD23 LEU 6 55.173 7.187 -0.177 56 H GLU 7 HN GLU 7 51.625 4.533 4.172 57 HA GLU 7 HA GLU 7 48.894 4.129 3.786 58 HB2 GLU 7 HB2 GLU 7 50.426 2.968 5.446 59 HB3 GLU 7 HB1 GLU 7 50.182 4.360 6.528 60 HG2 GLU 7 HG2 GLU 7 47.748 3.973 6.512 61 HG3 GLU 7 HG1 GLU 7 47.957 2.614 5.381 62 H ARG 8 HN ARG 8 50.479 6.973 4.990 63 HA ARG 8 HA ARG 8 48.102 8.069 6.319 64 HB2 ARG 8 HB2 ARG 8 50.731 9.348 5.467 65 HB3 ARG 8 HB1 ARG 8 49.483 10.133 6.465 66 HG2 ARG 8 HG2 ARG 8 49.691 8.193 8.089 67 HG3 ARG 8 HG1 ARG 8 51.098 7.642 7.147 68 HD2 ARG 8 HD2 ARG 8 50.776 10.216 8.727 69 HD3 ARG 8 HD1 ARG 8 52.032 8.964 8.892 70 HE ARG 8 HE ARG 8 52.079 11.178 7.013 71 HH11 ARG 8 HH11 ARG 8 53.111 7.984 7.766 72 HH12 ARG 8 HH12 ARG 8 54.350 7.952 6.556 73 HH21 ARG 8 HH21 ARG 8 53.600 11.107 5.329 74 HH22 ARG 8 HH22 ARG 8 54.626 9.721 5.175 75 H ILE 9 HN ILE 9 49.840 8.585 3.231 76 HA ILE 9 HA ILE 9 48.048 10.683 2.346 77 HB ILE 9 HB ILE 9 49.764 8.837 0.631 78 HG12 ILE 9 HG12 ILE 9 51.224 9.776 2.300 79 HG13 ILE 9 HG11 ILE 9 51.479 10.716 0.818 80 HG21 ILE 9 HG21 ILE 9 49.812 11.095 -0.756 81 HG22 ILE 9 HG22 ILE 9 48.333 11.473 0.155 82 HG23 ILE 9 HG23 ILE 9 48.401 10.023 -0.866 83 HD11 ILE 9 HD1 ILE 9 49.683 12.347 1.813 84 HD12 ILE 9 HD2 ILE 9 51.318 12.370 2.505 85 HD13 ILE 9 HD3 ILE 9 50.008 11.516 3.350 86 H GLY 10 HN GLY 10 47.547 7.384 2.785 87 HA2 GLY 10 HA1 GLY 10 46.140 6.526 0.529 88 HA3 GLY 10 HA2 GLY 10 45.722 6.071 2.195 89 H LYS 11 HN LYS 11 45.291 8.964 2.856 90 HA LYS 11 HA LYS 11 42.592 9.288 1.539 91 HB2 LYS 11 HB2 LYS 11 43.538 9.905 4.367 92 HB3 LYS 11 HB1 LYS 11 42.005 10.506 3.689 93 HG2 LYS 11 HG2 LYS 11 41.300 8.168 3.227 94 HG3 LYS 11 HG1 LYS 11 42.821 7.577 3.939 95 HD2 LYS 11 HD2 LYS 11 42.225 8.679 6.091 96 HD3 LYS 11 HD1 LYS 11 40.684 9.210 5.377 97 HE2 LYS 11 HE2 LYS 11 40.033 6.863 4.989 98 HE3 LYS 11 HE1 LYS 11 41.588 6.310 5.656 99 HZ1 LYS 11 HZ1 LYS 11 40.462 6.251 7.575 100 HZ2 LYS 11 HZ2 LYS 11 39.224 7.274 7.021 101 HZ3 LYS 11 HZ3 LYS 11 40.678 7.933 7.600 102 H ALA 12 HN ALA 12 43.855 10.445 -0.130 103 HA ALA 12 HA ALA 12 45.398 12.752 0.367 104 HB1 ALA 12 HB1 ALA 12 45.036 13.293 -1.922 105 HB2 ALA 12 HB2 ALA 12 43.479 12.430 -1.958 106 HB3 ALA 12 HB3 ALA 12 45.003 11.519 -1.827 107 H GLY 13 HN GLY 13 44.428 13.822 2.165 108 HA2 GLY 13 HA1 GLY 13 42.985 15.341 3.170 109 HA3 GLY 13 HA2 GLY 13 42.983 16.122 1.577 110 H PHE 14 HN PHE 14 41.615 13.089 2.928 111 HA PHE 14 HA PHE 14 39.473 12.224 2.785 112 HB2 PHE 14 HB2 PHE 14 38.988 14.297 4.123 113 HB3 PHE 14 HB1 PHE 14 38.589 15.131 2.603 114 HD1 PHE 14 HD1 PHE 14 37.794 11.921 4.430 115 HD2 PHE 14 HD2 PHE 14 36.335 15.096 1.892 116 HE1 PHE 14 HE1 PHE 14 35.506 10.943 4.517 117 HE2 PHE 14 HE2 PHE 14 34.047 14.115 1.983 118 HZ PHE 14 HZ PHE 14 33.615 12.096 3.377 119 H ILE 15 HN ILE 15 40.960 12.398 0.393 120 HA ILE 15 HA ILE 15 40.660 12.151 -1.880 121 HB ILE 15 HB ILE 15 37.657 12.099 -1.382 122 HG12 ILE 15 HG12 ILE 15 39.711 9.867 -1.037 123 HG13 ILE 15 HG11 ILE 15 38.737 10.605 0.256 124 HG21 ILE 15 HG21 ILE 15 39.343 10.514 -3.360 125 HG22 ILE 15 HG22 ILE 15 38.670 12.115 -3.748 126 HG23 ILE 15 HG23 ILE 15 37.580 10.763 -3.368 127 HD11 ILE 15 HD1 ILE 15 37.557 8.617 -0.285 128 HD12 ILE 15 HD2 ILE 15 37.817 8.831 -2.031 129 HD13 ILE 15 HD3 ILE 15 36.672 9.886 -1.165 130 H ILE 16 HN ILE 16 41.376 14.508 -1.666 131 HA ILE 16 HA ILE 16 39.422 16.140 -3.246 132 HB ILE 16 HB ILE 16 39.306 16.844 -0.812 133 HG12 ILE 16 HG12 ILE 16 39.712 19.303 -1.318 134 HG13 ILE 16 HG11 ILE 16 40.420 18.810 -2.872 135 HG21 ILE 16 HG21 ILE 16 41.161 17.828 0.280 136 HG22 ILE 16 HG22 ILE 16 42.082 17.980 -1.229 137 HG23 ILE 16 HG23 ILE 16 41.842 16.379 -0.494 138 HD11 ILE 16 HD1 ILE 16 38.352 18.144 -3.759 139 HD12 ILE 16 HD2 ILE 16 37.831 19.470 -2.698 140 HD13 ILE 16 HD3 ILE 16 37.655 17.785 -2.161 141 H ILE 17 HN ILE 17 42.783 15.851 -1.967 142 HA ILE 17 HA ILE 17 43.843 17.416 -4.237 143 HB ILE 17 HB ILE 17 45.292 15.626 -2.223 144 HG12 ILE 17 HG12 ILE 17 44.328 17.468 -1.007 145 HG13 ILE 17 HG11 ILE 17 46.040 17.852 -1.230 146 HG21 ILE 17 HG21 ILE 17 46.246 17.407 -4.487 147 HG22 ILE 17 HG22 ILE 17 46.773 15.774 -4.035 148 HG23 ILE 17 HG23 ILE 17 47.279 17.167 -3.058 149 HD11 ILE 17 HD1 ILE 17 44.965 19.883 -1.773 150 HD12 ILE 17 HD2 ILE 17 43.627 19.069 -2.610 151 HD13 ILE 17 HD3 ILE 17 45.230 19.149 -3.367 152 H GLY 18 HN GLY 18 43.401 14.057 -3.247 153 HA2 GLY 18 HA1 GLY 18 44.819 12.972 -5.560 154 HA3 GLY 18 HA2 GLY 18 43.827 12.073 -4.391 155 H GLY 19 HN GLY 19 41.386 13.217 -4.522 156 HA2 GLY 19 HA1 GLY 19 40.361 12.150 -6.995 157 HA3 GLY 19 HA2 GLY 19 39.446 13.063 -5.780 158 H ALA 20 HN ALA 20 41.089 15.426 -5.825 159 HA ALA 20 HA ALA 20 41.382 17.384 -7.020 160 HB1 ALA 20 HB1 ALA 20 41.892 17.338 -9.301 161 HB2 ALA 20 HB2 ALA 20 40.749 16.018 -9.643 162 HB3 ALA 20 HB3 ALA 20 42.277 15.677 -8.799 163 H LEU 21 HN LEU 21 38.630 15.327 -7.920 164 HA LEU 21 HA LEU 21 36.425 15.876 -8.379 165 HB2 LEU 21 HB2 LEU 21 37.243 18.078 -6.458 166 HB3 LEU 21 HB1 LEU 21 35.589 17.975 -7.090 167 HG LEU 21 HG LEU 21 36.011 16.858 -4.824 168 HD11 LEU 21 HD11 LEU 21 35.042 14.818 -6.861 169 HD12 LEU 21 HD12 LEU 21 34.109 16.290 -6.516 170 HD13 LEU 21 HD13 LEU 21 34.451 15.129 -5.217 171 HD21 LEU 21 HD21 LEU 21 37.156 14.743 -4.737 172 HD22 LEU 21 HD22 LEU 21 38.249 15.889 -5.547 173 HD23 LEU 21 HD23 LEU 21 37.346 14.691 -6.504 174 H ASP 22 HN ASP 22 38.875 17.323 -9.806 175 HA ASP 22 HA ASP 22 37.568 19.708 -10.913 176 HB2 ASP 22 HB2 ASP 22 40.059 19.459 -10.610 177 HB3 ASP 22 HB1 ASP 22 40.041 18.249 -11.915 178 H HIS 23 HN HIS 23 38.173 16.343 -11.903 179 HA HIS 23 HA HIS 23 35.958 16.442 -13.778 180 HB2 HIS 23 HB2 HIS 23 37.721 17.656 -15.084 181 HB3 HIS 23 HB1 HIS 23 38.745 16.204 -14.977 182 HD1 HIS 23 HD1 HIS 23 35.035 16.799 -15.854 183 HD2 HIS 23 HD2 HIS 23 38.394 14.685 -17.245 184 HE1 HIS 23 HE1 HIS 23 34.328 15.550 -17.967 185 H LEU 24 HN LEU 24 38.663 14.896 -12.228 186 HA LEU 24 HA LEU 24 38.401 12.291 -13.395 187 HB2 LEU 24 HB2 LEU 24 40.229 13.347 -11.791 188 HB3 LEU 24 HB1 LEU 24 39.206 12.686 -10.498 189 HG LEU 24 HG LEU 24 40.454 11.129 -12.810 190 HD11 LEU 24 HD11 LEU 24 40.927 11.083 -9.795 191 HD12 LEU 24 HD12 LEU 24 42.032 11.761 -11.016 192 HD13 LEU 24 HD13 LEU 24 41.710 10.010 -10.981 193 HD21 LEU 24 HD21 LEU 24 38.364 10.058 -12.385 194 HD22 LEU 24 HD22 LEU 24 38.477 10.341 -10.630 195 HD23 LEU 24 HD23 LEU 24 39.535 9.141 -11.410 Start of MODEL 40 1 H1 GLY 1 HT1 GLY 1 57.946 -2.590 6.387 2 H2 GLY 1 HT2 GLY 1 57.953 -1.043 7.091 3 H3 GLY 1 HT3 GLY 1 59.255 -2.106 7.348 4 HA2 GLY 1 HA1 GLY 1 60.218 -0.945 5.760 5 HA3 GLY 1 HA2 GLY 1 59.269 -2.033 4.728 6 H LYS 2 HN LYS 2 59.673 -0.095 3.269 7 HA LYS 2 HA LYS 2 58.156 2.324 3.799 8 HB2 LYS 2 HB2 LYS 2 58.575 2.738 1.326 9 HB3 LYS 2 HB1 LYS 2 60.032 2.469 2.312 10 HG2 LYS 2 HG2 LYS 2 60.256 0.206 1.542 11 HG3 LYS 2 HG1 LYS 2 58.633 0.221 0.809 12 HD2 LYS 2 HD2 LYS 2 60.349 0.481 -0.935 13 HD3 LYS 2 HD1 LYS 2 59.388 1.972 -0.794 14 HE2 LYS 2 HE2 LYS 2 61.969 1.665 0.780 15 HE3 LYS 2 HE1 LYS 2 62.005 2.165 -0.927 16 HZ1 LYS 2 HZ1 LYS 2 61.486 3.756 1.283 17 HZ2 LYS 2 HZ2 LYS 2 60.003 3.603 0.468 18 HZ3 LYS 2 HZ3 LYS 2 61.370 4.192 -0.352 19 H GLY 3 HN GLY 3 56.577 3.051 1.939 20 HA2 GLY 3 HA1 GLY 3 54.812 1.816 0.398 21 HA3 GLY 3 HA2 GLY 3 54.329 0.997 1.955 22 H ARG 4 HN ARG 4 54.558 1.997 3.658 23 HA ARG 4 HA ARG 4 52.174 2.261 3.280 24 HB2 ARG 4 HB2 ARG 4 53.505 3.203 5.864 25 HB3 ARG 4 HB1 ARG 4 51.769 2.818 5.708 26 HG2 ARG 4 HG2 ARG 4 52.361 0.528 4.924 27 HG3 ARG 4 HG1 ARG 4 54.088 0.914 5.132 28 HD2 ARG 4 HD2 ARG 4 51.944 0.761 7.289 29 HD3 ARG 4 HD1 ARG 4 53.396 -0.257 7.124 30 HE ARG 4 HE ARG 4 54.295 2.415 7.340 31 HH11 ARG 4 HH11 ARG 4 51.800 1.182 9.183 32 HH12 ARG 4 HH12 ARG 4 52.614 1.310 10.706 33 HH21 ARG 4 HH21 ARG 4 55.679 2.118 9.298 34 HH22 ARG 4 HH22 ARG 4 54.811 1.838 10.771 35 H TRP 5 HN TRP 5 54.311 4.557 2.802 36 HA TRP 5 HA TRP 5 53.600 7.091 3.640 37 HB2 TRP 5 HB2 TRP 5 54.119 6.276 0.757 38 HB3 TRP 5 HB1 TRP 5 54.237 7.937 1.390 39 HD1 TRP 5 HD1 TRP 5 56.182 4.786 1.007 40 HE1 TRP 5 HE1 TRP 5 58.481 4.952 2.209 41 HE3 TRP 5 HE3 TRP 5 55.380 9.069 3.695 42 HZ2 TRP 5 HZ2 TRP 5 59.767 6.720 4.083 43 HZ3 TRP 5 HZ3 TRP 5 57.156 9.976 5.184 44 HH2 TRP 5 HH2 TRP 5 59.348 8.808 5.380 45 H LEU 6 HN LEU 6 51.692 4.955 1.639 46 HA LEU 6 HA LEU 6 49.687 7.077 1.024 47 HB2 LEU 6 HB2 LEU 6 50.089 4.194 0.158 48 HB3 LEU 6 HB1 LEU 6 48.569 5.048 -0.163 49 HG LEU 6 HG LEU 6 50.309 5.070 -2.043 50 HD11 LEU 6 HD11 LEU 6 49.708 7.238 -2.781 51 HD12 LEU 6 HD12 LEU 6 49.633 7.893 -1.134 52 HD13 LEU 6 HD13 LEU 6 48.378 6.771 -1.703 53 HD21 LEU 6 HD21 LEU 6 52.213 6.531 -1.877 54 HD22 LEU 6 HD22 LEU 6 52.247 5.469 -0.451 55 HD23 LEU 6 HD23 LEU 6 51.686 7.151 -0.297 56 H GLU 7 HN GLU 7 50.189 4.155 3.007 57 HA GLU 7 HA GLU 7 47.367 4.325 4.007 58 HB2 GLU 7 HB2 GLU 7 49.603 2.320 4.513 59 HB3 GLU 7 HB1 GLU 7 47.956 2.212 5.180 60 HG2 GLU 7 HG2 GLU 7 46.999 2.060 2.946 61 HG3 GLU 7 HG1 GLU 7 48.588 2.362 2.200 62 H ARG 8 HN ARG 8 49.891 6.139 4.572 63 HA ARG 8 HA ARG 8 50.396 5.761 7.395 64 HB2 ARG 8 HB2 ARG 8 51.728 7.087 5.512 65 HB3 ARG 8 HB1 ARG 8 50.714 8.449 6.033 66 HG2 ARG 8 HG2 ARG 8 52.569 6.778 7.792 67 HG3 ARG 8 HG1 ARG 8 52.812 8.469 7.297 68 HD2 ARG 8 HD2 ARG 8 50.544 8.954 8.442 69 HD3 ARG 8 HD1 ARG 8 50.712 7.343 9.182 70 HE ARG 8 HE ARG 8 53.104 8.955 9.540 71 HH11 ARG 8 HH11 ARG 8 51.996 7.087 11.595 72 HH12 ARG 8 HH12 ARG 8 51.377 8.180 12.787 73 HH21 ARG 8 HH21 ARG 8 51.405 10.926 10.669 74 HH22 ARG 8 HH22 ARG 8 51.043 10.354 12.263 75 H ILE 9 HN ILE 9 48.780 8.540 5.774 76 HA ILE 9 HA ILE 9 47.128 8.919 8.248 77 HB ILE 9 HB ILE 9 46.553 11.123 7.239 78 HG12 ILE 9 HG12 ILE 9 48.449 10.181 5.035 79 HG13 ILE 9 HG11 ILE 9 46.714 10.529 4.862 80 HG21 ILE 9 HG21 ILE 9 49.568 10.704 7.168 81 HG22 ILE 9 HG22 ILE 9 48.637 10.690 8.686 82 HG23 ILE 9 HG23 ILE 9 48.671 12.154 7.677 83 HD11 ILE 9 HD1 ILE 9 47.308 12.912 5.732 84 HD12 ILE 9 HD2 ILE 9 47.772 12.496 4.065 85 HD13 ILE 9 HD3 ILE 9 48.992 12.472 5.359 86 H GLY 10 HN GLY 10 46.922 8.226 4.776 87 HA2 GLY 10 HA1 GLY 10 45.098 7.691 3.447 88 HA3 GLY 10 HA2 GLY 10 44.513 6.829 4.885 89 H LYS 11 HN LYS 11 44.857 10.234 3.794 90 HA LYS 11 HA LYS 11 41.966 10.651 3.950 91 HB2 LYS 11 HB2 LYS 11 42.540 10.750 6.352 92 HB3 LYS 11 HB1 LYS 11 43.764 11.995 6.006 93 HG2 LYS 11 HG2 LYS 11 42.112 13.588 5.334 94 HG3 LYS 11 HG1 LYS 11 40.846 12.344 5.213 95 HD2 LYS 11 HD2 LYS 11 40.525 13.641 7.269 96 HD3 LYS 11 HD1 LYS 11 41.009 11.980 7.684 97 HE2 LYS 11 HE2 LYS 11 43.240 12.648 8.213 98 HE3 LYS 11 HE1 LYS 11 43.040 14.232 7.424 99 HZ1 LYS 11 HZ1 LYS 11 41.043 13.930 9.377 100 HZ2 LYS 11 HZ2 LYS 11 42.318 15.051 9.332 101 HZ3 LYS 11 HZ3 LYS 11 42.532 13.547 10.090 102 H ALA 12 HN ALA 12 42.455 11.227 1.757 103 HA ALA 12 HA ALA 12 44.235 13.501 1.245 104 HB1 ALA 12 HB1 ALA 12 43.632 13.197 -1.047 105 HB2 ALA 12 HB2 ALA 12 42.172 12.275 -0.610 106 HB3 ALA 12 HB3 ALA 12 43.786 11.572 -0.339 107 H GLY 13 HN GLY 13 42.709 14.524 3.111 108 HA2 GLY 13 HA1 GLY 13 41.252 16.253 3.588 109 HA3 GLY 13 HA2 GLY 13 41.490 16.774 1.908 110 H PHE 14 HN PHE 14 39.782 14.200 3.745 111 HA PHE 14 HA PHE 14 37.659 13.316 3.445 112 HB2 PHE 14 HB2 PHE 14 37.133 15.731 4.043 113 HB3 PHE 14 HB1 PHE 14 36.950 16.045 2.300 114 HD1 PHE 14 HD1 PHE 14 34.849 15.651 1.268 115 HD2 PHE 14 HD2 PHE 14 35.773 13.705 5.010 116 HE1 PHE 14 HE1 PHE 14 32.530 14.746 1.372 117 HE2 PHE 14 HE2 PHE 14 33.454 12.801 5.111 118 HZ PHE 14 HZ PHE 14 31.810 13.392 3.336 119 H ILE 15 HN ILE 15 39.599 13.022 1.286 120 HA ILE 15 HA ILE 15 39.667 12.262 -0.878 121 HB ILE 15 HB ILE 15 36.642 11.937 -0.790 122 HG12 ILE 15 HG12 ILE 15 38.789 10.154 0.450 123 HG13 ILE 15 HG11 ILE 15 37.523 11.048 1.324 124 HG21 ILE 15 HG21 ILE 15 38.772 10.132 -2.003 125 HG22 ILE 15 HG22 ILE 15 38.041 11.484 -2.898 126 HG23 ILE 15 HG23 ILE 15 37.022 10.143 -2.331 127 HD11 ILE 15 HD1 ILE 15 36.654 8.847 1.163 128 HD12 ILE 15 HD2 ILE 15 37.221 8.649 -0.511 129 HD13 ILE 15 HD3 ILE 15 35.840 9.717 -0.158 130 H ILE 16 HN ILE 16 40.101 14.646 -1.030 131 HA ILE 16 HA ILE 16 38.307 15.776 -3.164 132 HB ILE 16 HB ILE 16 39.683 17.266 -0.895 133 HG12 ILE 16 HG12 ILE 16 37.484 15.952 -0.395 134 HG13 ILE 16 HG11 ILE 16 37.571 17.652 0.095 135 HG21 ILE 16 HG21 ILE 16 39.733 18.647 -2.873 136 HG22 ILE 16 HG22 ILE 16 38.393 19.249 -1.876 137 HG23 ILE 16 HG23 ILE 16 38.060 18.223 -3.292 138 HD11 ILE 16 HD1 ILE 16 36.208 18.355 -1.760 139 HD12 ILE 16 HD2 ILE 16 35.402 16.941 -1.050 140 HD13 ILE 16 HD3 ILE 16 36.334 16.768 -2.550 141 H ILE 17 HN ILE 17 41.470 16.038 -1.478 142 HA ILE 17 HA ILE 17 42.805 17.188 -3.786 143 HB ILE 17 HB ILE 17 44.090 15.616 -1.505 144 HG12 ILE 17 HG12 ILE 17 42.727 17.246 -0.405 145 HG13 ILE 17 HG11 ILE 17 44.358 17.938 -0.433 146 HG21 ILE 17 HG21 ILE 17 45.952 17.376 -2.016 147 HG22 ILE 17 HG22 ILE 17 45.087 17.638 -3.548 148 HG23 ILE 17 HG23 ILE 17 45.729 16.031 -3.154 149 HD11 ILE 17 HD1 ILE 17 41.972 18.666 -2.168 150 HD12 ILE 17 HD2 ILE 17 43.626 19.154 -2.595 151 HD13 ILE 17 HD3 ILE 17 42.899 19.716 -1.076 152 H GLY 18 HN GLY 18 42.522 13.931 -2.369 153 HA2 GLY 18 HA1 GLY 18 44.119 12.702 -4.491 154 HA3 GLY 18 HA2 GLY 18 43.197 11.869 -3.221 155 H GLY 19 HN GLY 19 40.658 12.922 -3.601 156 HA2 GLY 19 HA1 GLY 19 39.686 11.269 -5.711 157 HA3 GLY 19 HA2 GLY 19 38.767 12.536 -4.875 158 H ALA 20 HN ALA 20 40.271 14.799 -5.557 159 HA ALA 20 HA ALA 20 39.148 15.440 -8.089 160 HB1 ALA 20 HB1 ALA 20 39.748 17.180 -6.539 161 HB2 ALA 20 HB2 ALA 20 40.728 17.398 -8.009 162 HB3 ALA 20 HB3 ALA 20 41.454 16.677 -6.553 163 H LEU 21 HN LEU 21 42.059 13.753 -7.239 164 HA LEU 21 HA LEU 21 43.671 14.276 -9.506 165 HB2 LEU 21 HB2 LEU 21 44.185 12.909 -7.363 166 HB3 LEU 21 HB1 LEU 21 43.420 11.544 -8.205 167 HG LEU 21 HG LEU 21 45.075 12.193 -10.188 168 HD11 LEU 21 HD11 LEU 21 46.438 13.426 -7.747 169 HD12 LEU 21 HD12 LEU 21 45.979 14.263 -9.248 170 HD13 LEU 21 HD13 LEU 21 47.267 13.041 -9.270 171 HD21 LEU 21 HD21 LEU 21 46.016 10.865 -7.604 172 HD22 LEU 21 HD22 LEU 21 46.819 10.709 -9.185 173 HD23 LEU 21 HD23 LEU 21 45.175 10.068 -8.955 174 H ASP 22 HN ASP 22 40.658 12.620 -9.239 175 HA ASP 22 HA ASP 22 40.779 10.707 -11.288 176 HB2 ASP 22 HB2 ASP 22 38.501 12.611 -10.609 177 HB3 ASP 22 HB1 ASP 22 38.346 11.133 -11.589 178 H HIS 23 HN HIS 23 39.925 14.185 -11.592 179 HA HIS 23 HA HIS 23 41.122 14.233 -14.299 180 HB2 HIS 23 HB2 HIS 23 38.199 14.988 -13.926 181 HB3 HIS 23 HB1 HIS 23 39.129 14.964 -15.443 182 HD1 HIS 23 HD1 HIS 23 40.249 12.434 -15.959 183 HD2 HIS 23 HD2 HIS 23 36.746 12.669 -13.649 184 HE1 HIS 23 HE1 HIS 23 39.184 10.112 -15.953 185 H LEU 24 HN LEU 24 41.836 15.448 -11.834 186 HA LEU 24 HA LEU 24 41.938 18.216 -12.718 187 HB2 LEU 24 HB2 LEU 24 39.713 18.371 -11.802 188 HB3 LEU 24 HB1 LEU 24 40.185 17.476 -10.343 189 HG LEU 24 HG LEU 24 41.563 19.311 -9.566 190 HD11 LEU 24 HD11 LEU 24 41.586 21.477 -10.996 191 HD12 LEU 24 HD12 LEU 24 41.064 20.442 -12.348 192 HD13 LEU 24 HD13 LEU 24 42.620 20.136 -11.539 193 HD21 LEU 24 HD21 LEU 24 38.984 20.465 -10.715 194 HD22 LEU 24 HD22 LEU 24 39.877 21.061 -9.295 195 HD23 LEU 24 HD23 LEU 24 39.077 19.471 -9.241 Start of MODEL 41 1 H1 GLY 1 HT1 GLY 1 59.624 0.886 12.659 2 H2 GLY 1 HT2 GLY 1 59.768 -0.745 12.201 3 H3 GLY 1 HT3 GLY 1 58.860 -0.319 13.573 4 HA2 GLY 1 HA1 GLY 1 57.299 -0.763 11.965 5 HA3 GLY 1 HA2 GLY 1 57.415 1.005 12.069 6 H LYS 2 HN LYS 2 56.437 -0.542 9.843 7 HA LYS 2 HA LYS 2 57.937 0.767 7.744 8 HB2 LYS 2 HB2 LYS 2 59.466 -1.160 8.231 9 HB3 LYS 2 HB1 LYS 2 58.135 -2.270 7.829 10 HG2 LYS 2 HG2 LYS 2 58.049 -1.488 5.552 11 HG3 LYS 2 HG1 LYS 2 59.136 -0.123 5.912 12 HD2 LYS 2 HD2 LYS 2 60.961 -1.724 6.438 13 HD3 LYS 2 HD1 LYS 2 59.876 -3.080 6.046 14 HE2 LYS 2 HE2 LYS 2 60.521 -0.843 4.083 15 HE3 LYS 2 HE1 LYS 2 61.439 -2.365 4.162 16 HZ1 LYS 2 HZ1 LYS 2 58.818 -1.852 3.083 17 HZ2 LYS 2 HZ2 LYS 2 58.858 -3.196 4.122 18 HZ3 LYS 2 HZ3 LYS 2 59.888 -3.131 2.773 19 H GLY 3 HN GLY 3 56.983 0.443 5.627 20 HA2 GLY 3 HA1 GLY 3 55.082 -0.869 4.424 21 HA3 GLY 3 HA2 GLY 3 54.056 -0.423 5.870 22 H ARG 4 HN ARG 4 54.473 1.316 6.779 23 HA ARG 4 HA ARG 4 52.485 1.898 5.512 24 HB2 ARG 4 HB2 ARG 4 53.765 3.798 7.535 25 HB3 ARG 4 HB1 ARG 4 52.072 3.929 6.988 26 HG2 ARG 4 HG2 ARG 4 51.569 1.697 7.810 27 HG3 ARG 4 HG1 ARG 4 53.282 1.398 8.185 28 HD2 ARG 4 HD2 ARG 4 51.654 3.641 9.447 29 HD3 ARG 4 HD1 ARG 4 51.858 2.036 10.190 30 HE ARG 4 HE ARG 4 54.448 3.018 9.558 31 HH11 ARG 4 HH11 ARG 4 54.067 2.113 12.248 32 HH12 ARG 4 HH12 ARG 4 53.987 3.563 13.193 33 HH21 ARG 4 HH21 ARG 4 53.346 5.615 10.472 34 HH22 ARG 4 HH22 ARG 4 53.579 5.546 12.187 35 H TRP 5 HN TRP 5 55.422 2.768 4.694 36 HA TRP 5 HA TRP 5 55.739 5.356 3.792 37 HB2 TRP 5 HB2 TRP 5 56.248 2.822 2.189 38 HB3 TRP 5 HB1 TRP 5 56.896 4.424 1.764 39 HD1 TRP 5 HD1 TRP 5 57.373 1.523 4.136 40 HE1 TRP 5 HE1 TRP 5 59.475 1.906 5.617 41 HE3 TRP 5 HE3 TRP 5 58.347 6.399 2.912 42 HZ2 TRP 5 HZ2 TRP 5 61.311 4.053 6.172 43 HZ3 TRP 5 HZ3 TRP 5 60.281 7.593 3.930 44 HH2 TRP 5 HH2 TRP 5 61.762 6.427 5.558 45 H LEU 6 HN LEU 6 53.316 3.098 2.719 46 HA LEU 6 HA LEU 6 52.483 4.905 0.475 47 HB2 LEU 6 HB2 LEU 6 52.760 2.562 -0.135 48 HB3 LEU 6 HB1 LEU 6 51.728 2.047 1.215 49 HG LEU 6 HG LEU 6 49.776 3.130 0.194 50 HD11 LEU 6 HD11 LEU 6 51.849 4.157 -1.780 51 HD12 LEU 6 HD12 LEU 6 50.598 5.069 -0.902 52 HD13 LEU 6 HD13 LEU 6 50.138 4.007 -2.249 53 HD21 LEU 6 HD21 LEU 6 51.348 1.493 -1.843 54 HD22 LEU 6 HD22 LEU 6 49.583 1.716 -1.817 55 HD23 LEU 6 HD23 LEU 6 50.386 0.823 -0.504 56 H GLU 7 HN GLU 7 51.529 3.605 3.646 57 HA GLU 7 HA GLU 7 48.832 4.895 3.396 58 HB2 GLU 7 HB2 GLU 7 49.978 3.236 5.676 59 HB3 GLU 7 HB1 GLU 7 48.276 3.688 5.415 60 HG2 GLU 7 HG2 GLU 7 49.946 1.954 3.538 61 HG3 GLU 7 HG1 GLU 7 48.733 1.350 4.690 62 H ARG 8 HN ARG 8 50.972 6.688 3.368 63 HA ARG 8 HA ARG 8 51.876 7.662 5.836 64 HB2 ARG 8 HB2 ARG 8 52.442 8.495 3.479 65 HB3 ARG 8 HB1 ARG 8 50.941 9.443 3.558 66 HG2 ARG 8 HG2 ARG 8 52.462 11.024 4.373 67 HG3 ARG 8 HG1 ARG 8 51.959 10.268 5.901 68 HD2 ARG 8 HD2 ARG 8 53.951 8.736 5.742 69 HD3 ARG 8 HD1 ARG 8 54.461 9.607 4.278 70 HE ARG 8 HE ARG 8 54.106 11.567 6.271 71 HH11 ARG 8 HH11 ARG 8 55.244 8.936 7.633 72 HH12 ARG 8 HH12 ARG 8 56.915 9.383 7.728 73 HH21 ARG 8 HH21 ARG 8 56.590 12.075 5.566 74 HH22 ARG 8 HH22 ARG 8 57.676 11.161 6.558 75 H ILE 9 HN ILE 9 48.738 8.170 4.235 76 HA ILE 9 HA ILE 9 47.549 8.900 6.837 77 HB ILE 9 HB ILE 9 46.531 11.019 5.920 78 HG12 ILE 9 HG12 ILE 9 48.591 10.527 3.719 79 HG13 ILE 9 HG11 ILE 9 46.824 10.591 3.529 80 HG21 ILE 9 HG21 ILE 9 48.412 12.395 6.465 81 HG22 ILE 9 HG22 ILE 9 49.574 11.173 5.898 82 HG23 ILE 9 HG23 ILE 9 48.648 10.899 7.393 83 HD11 ILE 9 HD1 ILE 9 48.737 12.861 4.169 84 HD12 ILE 9 HD2 ILE 9 46.992 12.993 4.508 85 HD13 ILE 9 HD3 ILE 9 47.561 12.741 2.840 86 H GLY 10 HN GLY 10 47.270 8.424 3.330 87 HA2 GLY 10 HA1 GLY 10 45.632 7.303 2.135 88 HA3 GLY 10 HA2 GLY 10 44.941 6.754 3.674 89 H LYS 11 HN LYS 11 44.978 9.863 4.299 90 HA LYS 11 HA LYS 11 42.186 10.249 3.356 91 HB2 LYS 11 HB2 LYS 11 43.968 11.874 5.214 92 HB3 LYS 11 HB1 LYS 11 42.256 12.223 4.871 93 HG2 LYS 11 HG2 LYS 11 41.758 9.822 5.646 94 HG3 LYS 11 HG1 LYS 11 43.424 9.781 6.266 95 HD2 LYS 11 HD2 LYS 11 41.317 11.856 7.029 96 HD3 LYS 11 HD1 LYS 11 41.762 10.446 8.017 97 HE2 LYS 11 HE2 LYS 11 43.481 12.849 7.295 98 HE3 LYS 11 HE1 LYS 11 43.021 12.269 8.910 99 HZ1 LYS 11 HZ1 LYS 11 44.241 10.112 7.900 100 HZ2 LYS 11 HZ2 LYS 11 45.025 11.296 8.833 101 HZ3 LYS 11 HZ3 LYS 11 45.123 11.343 7.137 102 H ALA 12 HN ALA 12 42.054 10.936 1.293 103 HA ALA 12 HA ALA 12 44.066 12.748 0.166 104 HB1 ALA 12 HB1 ALA 12 42.618 12.660 -1.827 105 HB2 ALA 12 HB2 ALA 12 41.383 11.788 -0.892 106 HB3 ALA 12 HB3 ALA 12 42.963 11.030 -1.206 107 H GLY 13 HN GLY 13 43.458 14.152 2.227 108 HA2 GLY 13 HA1 GLY 13 42.431 16.067 3.054 109 HA3 GLY 13 HA2 GLY 13 42.468 16.601 1.360 110 H PHE 14 HN PHE 14 40.651 14.058 3.108 111 HA PHE 14 HA PHE 14 38.382 13.626 3.192 112 HB2 PHE 14 HB2 PHE 14 38.383 15.957 4.224 113 HB3 PHE 14 HB1 PHE 14 37.959 16.587 2.615 114 HD1 PHE 14 HD1 PHE 14 35.708 16.470 1.809 115 HD2 PHE 14 HD2 PHE 14 36.867 14.195 5.291 116 HE1 PHE 14 HE1 PHE 14 33.323 15.883 2.220 117 HE2 PHE 14 HE2 PHE 14 34.481 13.610 5.701 118 HZ PHE 14 HZ PHE 14 32.720 14.385 4.118 119 H ILE 15 HN ILE 15 39.227 12.646 1.043 120 HA ILE 15 HA ILE 15 39.037 12.373 -1.269 121 HB ILE 15 HB ILE 15 36.587 12.082 -1.956 122 HG12 ILE 15 HG12 ILE 15 36.106 12.696 1.001 123 HG13 ILE 15 HG11 ILE 15 35.715 13.816 -0.323 124 HG21 ILE 15 HG21 ILE 15 37.366 10.713 0.657 125 HG22 ILE 15 HG22 ILE 15 38.059 10.284 -0.925 126 HG23 ILE 15 HG23 ILE 15 36.321 10.070 -0.630 127 HD11 ILE 15 HD1 ILE 15 33.669 12.701 0.065 128 HD12 ILE 15 HD2 ILE 15 34.461 11.132 0.328 129 HD13 ILE 15 HD3 ILE 15 34.348 11.809 -1.314 130 H ILE 16 HN ILE 16 40.044 14.667 -1.361 131 HA ILE 16 HA ILE 16 38.231 16.295 -3.141 132 HB ILE 16 HB ILE 16 38.581 17.333 -0.824 133 HG12 ILE 16 HG12 ILE 16 39.381 19.616 -1.926 134 HG13 ILE 16 HG11 ILE 16 39.341 18.692 -3.442 135 HG21 ILE 16 HG21 ILE 16 40.701 18.238 -0.225 136 HG22 ILE 16 HG22 ILE 16 41.377 17.950 -1.845 137 HG23 ILE 16 HG23 ILE 16 41.040 16.579 -0.762 138 HD11 ILE 16 HD1 ILE 16 36.969 18.846 -1.527 139 HD12 ILE 16 HD2 ILE 16 36.976 18.245 -3.201 140 HD13 ILE 16 HD3 ILE 16 37.211 19.974 -2.877 141 H ILE 17 HN ILE 17 41.661 15.676 -2.184 142 HA ILE 17 HA ILE 17 42.554 16.718 -4.799 143 HB ILE 17 HB ILE 17 44.019 17.068 -2.849 144 HG12 ILE 17 HG12 ILE 17 46.120 16.219 -3.751 145 HG13 ILE 17 HG11 ILE 17 45.278 14.955 -4.670 146 HG21 ILE 17 HG21 ILE 17 44.316 14.042 -2.718 147 HG22 ILE 17 HG22 ILE 17 43.225 14.965 -1.660 148 HG23 ILE 17 HG23 ILE 17 44.980 15.249 -1.594 149 HD11 ILE 17 HD1 ILE 17 44.399 16.496 -6.231 150 HD12 ILE 17 HD2 ILE 17 46.022 17.151 -5.912 151 HD13 ILE 17 HD3 ILE 17 44.601 17.880 -5.129 152 H GLY 18 HN GLY 18 41.949 13.643 -3.195 153 HA2 GLY 18 HA1 GLY 18 42.992 12.104 -5.517 154 HA3 GLY 18 HA2 GLY 18 42.397 11.450 -3.977 155 H GLY 19 HN GLY 19 39.964 12.983 -3.890 156 HA2 GLY 19 HA1 GLY 19 38.312 11.213 -5.477 157 HA3 GLY 19 HA2 GLY 19 37.761 12.575 -4.482 158 H ALA 20 HN ALA 20 39.334 14.619 -5.761 159 HA ALA 20 HA ALA 20 37.535 15.193 -7.965 160 HB1 ALA 20 HB1 ALA 20 40.136 16.544 -7.164 161 HB2 ALA 20 HB2 ALA 20 38.521 16.944 -6.529 162 HB3 ALA 20 HB3 ALA 20 38.894 17.212 -8.249 163 H LEU 21 HN LEU 21 41.126 15.033 -7.980 164 HA LEU 21 HA LEU 21 42.570 14.396 -9.664 165 HB2 LEU 21 HB2 LEU 21 41.227 12.211 -9.016 166 HB3 LEU 21 HB1 LEU 21 40.506 12.392 -10.621 167 HG LEU 21 HG LEU 21 42.375 10.927 -10.895 168 HD11 LEU 21 HD11 LEU 21 43.751 12.084 -12.487 169 HD12 LEU 21 HD12 LEU 21 43.442 13.658 -11.723 170 HD13 LEU 21 HD13 LEU 21 42.130 12.806 -12.573 171 HD21 LEU 21 HD21 LEU 21 44.338 12.921 -9.696 172 HD22 LEU 21 HD22 LEU 21 44.524 11.176 -9.956 173 HD23 LEU 21 HD23 LEU 21 43.472 11.769 -8.654 174 H ASP 22 HN ASP 22 42.395 16.392 -10.775 175 HA ASP 22 HA ASP 22 41.910 17.744 -12.600 176 HB2 ASP 22 HB2 ASP 22 43.131 15.851 -13.697 177 HB3 ASP 22 HB1 ASP 22 41.560 15.085 -14.036 178 H HIS 23 HN HIS 23 39.685 17.084 -10.877 179 HA HIS 23 HA HIS 23 37.367 17.218 -10.855 180 HB2 HIS 23 HB2 HIS 23 37.936 19.372 -11.992 181 HB3 HIS 23 HB1 HIS 23 37.762 18.552 -13.563 182 HD1 HIS 23 HD1 HIS 23 35.496 17.806 -10.606 183 HD2 HIS 23 HD2 HIS 23 35.349 19.809 -14.302 184 HE1 HIS 23 HE1 HIS 23 33.060 18.447 -11.030 185 H LEU 24 HN LEU 24 38.277 14.737 -11.635 186 HA LEU 24 HA LEU 24 35.962 13.762 -13.089 187 HB2 LEU 24 HB2 LEU 24 37.689 14.689 -14.869 188 HB3 LEU 24 HB1 LEU 24 38.574 13.189 -14.523 189 HG LEU 24 HG LEU 24 35.676 13.407 -15.464 190 HD11 LEU 24 HD11 LEU 24 37.373 13.866 -17.210 191 HD12 LEU 24 HD12 LEU 24 36.558 12.311 -17.506 192 HD13 LEU 24 HD13 LEU 24 38.198 12.340 -16.814 193 HD21 LEU 24 HD21 LEU 24 37.395 11.051 -14.581 194 HD22 LEU 24 HD22 LEU 24 36.032 10.834 -15.705 195 HD23 LEU 24 HD23 LEU 24 35.741 11.473 -14.073 Start of MODEL 42 1 H1 GLY 1 HT1 GLY 1 64.410 0.703 7.343 2 H2 GLY 1 HT2 GLY 1 63.480 1.281 6.044 3 H3 GLY 1 HT3 GLY 1 63.943 -0.353 6.103 4 HA2 GLY 1 HA1 GLY 1 62.527 -0.852 7.816 5 HA3 GLY 1 HA2 GLY 1 62.317 0.865 8.213 6 H LYS 2 HN LYS 2 60.454 1.725 7.631 7 HA LYS 2 HA LYS 2 59.339 1.349 4.992 8 HB2 LYS 2 HB2 LYS 2 58.780 -0.868 6.137 9 HB3 LYS 2 HB1 LYS 2 57.754 0.065 7.246 10 HG2 LYS 2 HG2 LYS 2 56.193 -0.551 5.600 11 HG3 LYS 2 HG1 LYS 2 56.697 1.048 5.013 12 HD2 LYS 2 HD2 LYS 2 58.238 0.028 3.409 13 HD3 LYS 2 HD1 LYS 2 57.921 -1.590 4.078 14 HE2 LYS 2 HE2 LYS 2 55.759 0.186 2.881 15 HE3 LYS 2 HE1 LYS 2 56.637 -1.055 1.958 16 HZ1 LYS 2 HZ1 LYS 2 54.725 -2.119 2.736 17 HZ2 LYS 2 HZ2 LYS 2 54.828 -1.416 4.279 18 HZ3 LYS 2 HZ3 LYS 2 55.932 -2.621 3.816 19 H GLY 3 HN GLY 3 59.842 3.682 5.757 20 HA2 GLY 3 HA1 GLY 3 58.401 5.185 7.611 21 HA3 GLY 3 HA2 GLY 3 58.673 5.797 5.915 22 H ARG 4 HN ARG 4 57.937 4.748 4.398 23 HA ARG 4 HA ARG 4 56.288 6.518 4.578 24 HB2 ARG 4 HB2 ARG 4 56.256 4.485 2.295 25 HB3 ARG 4 HB1 ARG 4 55.452 6.076 2.220 26 HG2 ARG 4 HG2 ARG 4 57.598 7.207 2.662 27 HG3 ARG 4 HG1 ARG 4 58.417 5.631 2.802 28 HD2 ARG 4 HD2 ARG 4 56.906 6.496 0.304 29 HD3 ARG 4 HD1 ARG 4 58.647 6.786 0.535 30 HE ARG 4 HE ARG 4 58.327 4.063 1.033 31 HH11 ARG 4 HH11 ARG 4 60.031 4.555 -1.162 32 HH12 ARG 4 HH12 ARG 4 59.114 4.126 -2.567 33 HH21 ARG 4 HH21 ARG 4 56.058 4.239 -0.930 34 HH22 ARG 4 HH22 ARG 4 56.863 3.946 -2.436 35 H TRP 5 HN TRP 5 55.812 3.528 5.560 36 HA TRP 5 HA TRP 5 53.276 2.521 5.008 37 HB2 TRP 5 HB2 TRP 5 54.851 1.528 6.650 38 HB3 TRP 5 HB1 TRP 5 54.454 2.832 7.797 39 HD1 TRP 5 HD1 TRP 5 52.284 0.460 5.603 40 HE1 TRP 5 HE1 TRP 5 50.388 -0.538 7.074 41 HE3 TRP 5 HE3 TRP 5 53.475 2.669 10.065 42 HZ2 TRP 5 HZ2 TRP 5 49.530 -0.379 9.817 43 HZ3 TRP 5 HZ3 TRP 5 52.103 2.231 12.097 44 HH2 TRP 5 HH2 TRP 5 50.134 0.710 11.977 45 H LEU 6 HN LEU 6 54.042 5.560 6.451 46 HA LEU 6 HA LEU 6 51.183 6.004 7.283 47 HB2 LEU 6 HB2 LEU 6 53.584 7.756 7.920 48 HB3 LEU 6 HB1 LEU 6 51.986 7.747 8.701 49 HG LEU 6 HG LEU 6 54.014 5.467 8.783 50 HD11 LEU 6 HD11 LEU 6 54.230 6.092 11.169 51 HD12 LEU 6 HD12 LEU 6 53.105 7.449 10.917 52 HD13 LEU 6 HD13 LEU 6 54.693 7.445 10.110 53 HD21 LEU 6 HD21 LEU 6 52.367 4.689 10.637 54 HD22 LEU 6 HD22 LEU 6 51.845 4.480 8.950 55 HD23 LEU 6 HD23 LEU 6 51.210 5.834 9.918 56 H GLU 7 HN GLU 7 53.742 6.939 5.035 57 HA GLU 7 HA GLU 7 52.243 9.362 4.170 58 HB2 GLU 7 HB2 GLU 7 54.877 8.073 3.369 59 HB3 GLU 7 HB1 GLU 7 54.172 9.432 2.460 60 HG2 GLU 7 HG2 GLU 7 55.803 10.197 4.191 61 HG3 GLU 7 HG1 GLU 7 54.164 10.824 4.486 62 H ARG 8 HN ARG 8 52.010 6.070 3.665 63 HA ARG 8 HA ARG 8 51.596 6.058 0.785 64 HB2 ARG 8 HB2 ARG 8 52.199 4.048 2.219 65 HB3 ARG 8 HB1 ARG 8 50.532 4.081 2.831 66 HG2 ARG 8 HG2 ARG 8 50.618 2.491 0.999 67 HG3 ARG 8 HG1 ARG 8 49.706 3.914 0.452 68 HD2 ARG 8 HD2 ARG 8 51.392 4.588 -1.028 69 HD3 ARG 8 HD1 ARG 8 52.690 3.844 -0.063 70 HE ARG 8 HE ARG 8 52.426 1.976 -1.455 71 HH11 ARG 8 HH11 ARG 8 51.105 0.278 -2.247 72 HH12 ARG 8 HH12 ARG 8 49.476 0.645 -2.710 73 HH21 ARG 8 HH21 ARG 8 49.596 3.906 -1.539 74 HH22 ARG 8 HH22 ARG 8 48.622 2.698 -2.309 75 H ILE 9 HN ILE 9 49.620 6.662 3.633 76 HA ILE 9 HA ILE 9 47.044 6.224 2.653 77 HB ILE 9 HB ILE 9 47.417 6.931 4.948 78 HG12 ILE 9 HG12 ILE 9 45.796 9.094 3.521 79 HG13 ILE 9 HG11 ILE 9 45.219 7.437 3.810 80 HG21 ILE 9 HG21 ILE 9 48.328 8.988 5.626 81 HG22 ILE 9 HG22 ILE 9 47.962 9.792 4.085 82 HG23 ILE 9 HG23 ILE 9 49.298 8.622 4.183 83 HD11 ILE 9 HD1 ILE 9 46.026 9.490 5.913 84 HD12 ILE 9 HD2 ILE 9 45.648 7.788 6.273 85 HD13 ILE 9 HD3 ILE 9 44.393 8.856 5.603 86 H GLY 10 HN GLY 10 46.578 6.628 0.566 87 HA2 GLY 10 HA1 GLY 10 47.337 9.126 -0.728 88 HA3 GLY 10 HA2 GLY 10 46.293 7.854 -1.392 89 H LYS 11 HN LYS 11 44.788 8.179 1.354 90 HA LYS 11 HA LYS 11 42.740 9.931 0.249 91 HB2 LYS 11 HB2 LYS 11 43.048 8.702 3.019 92 HB3 LYS 11 HB1 LYS 11 41.582 9.500 2.398 93 HG2 LYS 11 HG2 LYS 11 41.255 7.823 0.717 94 HG3 LYS 11 HG1 LYS 11 42.887 7.157 0.955 95 HD2 LYS 11 HD2 LYS 11 41.264 5.684 2.035 96 HD3 LYS 11 HD1 LYS 11 42.234 6.493 3.286 97 HE2 LYS 11 HE2 LYS 11 40.464 7.997 3.838 98 HE3 LYS 11 HE1 LYS 11 39.559 7.605 2.355 99 HZ1 LYS 11 HZ1 LYS 11 38.470 6.307 3.852 100 HZ2 LYS 11 HZ2 LYS 11 39.830 6.073 4.844 101 HZ3 LYS 11 HZ3 LYS 11 39.675 5.207 3.390 102 H ALA 12 HN ALA 12 43.430 12.013 0.007 103 HA ALA 12 HA ALA 12 45.034 13.430 1.899 104 HB1 ALA 12 HB1 ALA 12 44.340 15.430 0.690 105 HB2 ALA 12 HB2 ALA 12 42.990 14.541 -0.055 106 HB3 ALA 12 HB3 ALA 12 44.670 14.113 -0.460 107 H GLY 13 HN GLY 13 41.969 12.196 2.310 108 HA2 GLY 13 HA1 GLY 13 40.355 12.565 3.927 109 HA3 GLY 13 HA2 GLY 13 41.565 13.523 4.804 110 H PHE 14 HN PHE 14 41.015 14.575 1.606 111 HA PHE 14 HA PHE 14 38.722 16.287 2.167 112 HB2 PHE 14 HB2 PHE 14 40.733 17.365 3.408 113 HB3 PHE 14 HB1 PHE 14 41.372 17.735 1.791 114 HD1 PHE 14 HD1 PHE 14 38.780 18.510 4.291 115 HD2 PHE 14 HD2 PHE 14 40.128 19.257 0.261 116 HE1 PHE 14 HE1 PHE 14 37.283 20.496 4.159 117 HE2 PHE 14 HE2 PHE 14 38.629 21.244 0.127 118 HZ PHE 14 HZ PHE 14 37.278 21.915 2.111 119 H ILE 15 HN ILE 15 41.711 15.848 0.249 120 HA ILE 15 HA ILE 15 40.208 16.612 -2.230 121 HB ILE 15 HB ILE 15 43.177 15.973 -2.060 122 HG12 ILE 15 HG12 ILE 15 42.512 17.806 -0.374 123 HG13 ILE 15 HG11 ILE 15 43.735 18.243 -1.577 124 HG21 ILE 15 HG21 ILE 15 41.426 17.551 -3.981 125 HG22 ILE 15 HG22 ILE 15 42.384 16.088 -4.310 126 HG23 ILE 15 HG23 ILE 15 43.203 17.634 -3.998 127 HD11 ILE 15 HD1 ILE 15 41.885 19.969 -1.179 128 HD12 ILE 15 HD2 ILE 15 40.778 18.837 -1.984 129 HD13 ILE 15 HD3 ILE 15 42.164 19.506 -2.873 130 H ILE 16 HN ILE 16 39.239 14.356 -1.265 131 HA ILE 16 HA ILE 16 40.163 12.367 -3.261 132 HB ILE 16 HB ILE 16 41.474 11.893 -1.158 133 HG12 ILE 16 HG12 ILE 16 40.765 9.466 -0.985 134 HG13 ILE 16 HG11 ILE 16 39.348 9.853 -1.983 135 HG21 ILE 16 HG21 ILE 16 40.398 11.242 0.863 136 HG22 ILE 16 HG22 ILE 16 38.808 11.122 0.076 137 HG23 ILE 16 HG23 ILE 16 39.550 12.717 0.344 138 HD11 ILE 16 HD1 ILE 16 41.574 8.911 -3.113 139 HD12 ILE 16 HD2 ILE 16 42.102 10.605 -3.011 140 HD13 ILE 16 HD3 ILE 16 40.634 10.181 -3.923 141 H ILE 17 HN ILE 17 37.979 13.164 -0.544 142 HA ILE 17 HA ILE 17 35.823 11.486 -1.672 143 HB ILE 17 HB ILE 17 34.460 12.899 0.154 144 HG12 ILE 17 HG12 ILE 17 35.867 13.723 1.981 145 HG13 ILE 17 HG11 ILE 17 37.341 13.245 1.114 146 HG21 ILE 17 HG21 ILE 17 36.587 10.815 0.793 147 HG22 ILE 17 HG22 ILE 17 34.869 10.535 0.430 148 HG23 ILE 17 HG23 ILE 17 35.339 11.341 1.946 149 HD11 ILE 17 HD1 ILE 17 37.027 14.921 -0.561 150 HD12 ILE 17 HD2 ILE 17 36.653 15.732 0.977 151 HD13 ILE 17 HD3 ILE 17 35.333 15.191 -0.085 152 H GLY 18 HN GLY 18 37.290 14.141 -2.709 153 HA2 GLY 18 HA1 GLY 18 34.885 15.106 -4.139 154 HA3 GLY 18 HA2 GLY 18 35.721 16.289 -3.111 155 H GLY 19 HN GLY 19 38.402 15.534 -3.486 156 HA2 GLY 19 HA1 GLY 19 39.041 16.919 -5.857 157 HA3 GLY 19 HA2 GLY 19 40.136 15.832 -4.980 158 H ALA 20 HN ALA 20 38.514 13.458 -5.300 159 HA ALA 20 HA ALA 20 39.605 12.456 -7.712 160 HB1 ALA 20 HB1 ALA 20 37.943 10.603 -7.423 161 HB2 ALA 20 HB2 ALA 20 37.188 11.544 -6.114 162 HB3 ALA 20 HB3 ALA 20 38.867 10.974 -5.949 163 H LEU 21 HN LEU 21 36.621 14.207 -7.080 164 HA LEU 21 HA LEU 21 35.474 13.581 -9.723 165 HB2 LEU 21 HB2 LEU 21 34.587 15.785 -7.834 166 HB3 LEU 21 HB1 LEU 21 33.620 14.887 -9.029 167 HG LEU 21 HG LEU 21 34.840 13.768 -6.467 168 HD11 LEU 21 HD11 LEU 21 31.950 14.174 -7.360 169 HD12 LEU 21 HD12 LEU 21 32.811 15.168 -6.160 170 HD13 LEU 21 HD13 LEU 21 32.473 13.453 -5.820 171 HD21 LEU 21 HD21 LEU 21 34.941 11.992 -8.068 172 HD22 LEU 21 HD22 LEU 21 33.386 12.454 -8.802 173 HD23 LEU 21 HD23 LEU 21 33.426 11.716 -7.182 174 H ASP 22 HN ASP 22 37.497 16.045 -8.254 175 HA ASP 22 HA ASP 22 37.079 18.229 -9.962 176 HB2 ASP 22 HB2 ASP 22 38.654 18.110 -7.987 177 HB3 ASP 22 HB1 ASP 22 39.806 17.252 -9.038 178 H HIS 23 HN HIS 23 39.564 15.664 -10.420 179 HA HIS 23 HA HIS 23 38.987 15.419 -13.245 180 HB2 HIS 23 HB2 HIS 23 40.097 17.657 -13.256 181 HB3 HIS 23 HB1 HIS 23 41.542 16.913 -12.532 182 HD1 HIS 23 HD1 HIS 23 43.222 16.833 -14.396 183 HD2 HIS 23 HD2 HIS 23 39.442 15.419 -15.577 184 HE1 HIS 23 HE1 HIS 23 43.451 15.948 -16.782 185 H LEU 24 HN LEU 24 40.345 14.499 -10.346 186 HA LEU 24 HA LEU 24 42.225 12.512 -11.585 187 HB2 LEU 24 HB2 LEU 24 41.764 13.016 -8.624 188 HB3 LEU 24 HB1 LEU 24 43.168 12.262 -9.417 189 HG LEU 24 HG LEU 24 42.313 15.183 -9.632 190 HD11 LEU 24 HD11 LEU 24 44.808 13.895 -8.439 191 HD12 LEU 24 HD12 LEU 24 43.419 14.475 -7.491 192 HD13 LEU 24 HD13 LEU 24 44.398 15.627 -8.430 193 HD21 LEU 24 HD21 LEU 24 44.602 15.321 -10.851 194 HD22 LEU 24 HD22 LEU 24 43.242 14.627 -11.761 195 HD23 LEU 24 HD23 LEU 24 44.469 13.556 -11.041 Start of MODEL 43 1 H1 GLY 1 HT1 GLY 1 60.935 -0.915 8.064 2 H2 GLY 1 HT2 GLY 1 61.306 0.451 7.124 3 H3 GLY 1 HT3 GLY 1 62.458 -0.780 7.334 4 HA2 GLY 1 HA1 GLY 1 61.614 -1.058 5.210 5 HA3 GLY 1 HA2 GLY 1 60.906 -2.323 6.235 6 H LYS 2 HN LYS 2 60.347 0.822 4.695 7 HA LYS 2 HA LYS 2 58.369 1.884 4.105 8 HB2 LYS 2 HB2 LYS 2 57.203 -0.918 3.961 9 HB3 LYS 2 HB1 LYS 2 56.721 0.517 3.025 10 HG2 LYS 2 HG2 LYS 2 59.027 0.567 2.017 11 HG3 LYS 2 HG1 LYS 2 59.379 -0.965 2.853 12 HD2 LYS 2 HD2 LYS 2 57.409 -2.002 1.696 13 HD3 LYS 2 HD1 LYS 2 57.187 -0.487 0.788 14 HE2 LYS 2 HE2 LYS 2 59.718 -2.190 0.772 15 HE3 LYS 2 HE1 LYS 2 58.490 -2.161 -0.517 16 HZ1 LYS 2 HZ1 LYS 2 59.029 0.457 -0.172 17 HZ2 LYS 2 HZ2 LYS 2 59.753 -0.530 -1.349 18 HZ3 LYS 2 HZ3 LYS 2 60.551 -0.232 0.121 19 H GLY 3 HN GLY 3 55.690 1.332 4.484 20 HA2 GLY 3 HA1 GLY 3 54.392 0.540 6.655 21 HA3 GLY 3 HA2 GLY 3 55.457 1.763 7.489 22 H ARG 4 HN ARG 4 56.040 3.364 6.465 23 HA ARG 4 HA ARG 4 54.241 4.297 7.799 24 HB2 ARG 4 HB2 ARG 4 56.055 6.033 6.060 25 HB3 ARG 4 HB1 ARG 4 55.089 6.664 7.417 26 HG2 ARG 4 HG2 ARG 4 56.228 5.228 8.998 27 HG3 ARG 4 HG1 ARG 4 57.043 4.341 7.688 28 HD2 ARG 4 HD2 ARG 4 57.426 7.310 8.269 29 HD3 ARG 4 HD1 ARG 4 58.538 6.023 8.793 30 HE ARG 4 HE ARG 4 58.368 7.132 6.115 31 HH11 ARG 4 HH11 ARG 4 58.173 5.034 4.634 32 HH12 ARG 4 HH12 ARG 4 59.510 3.964 4.896 33 HH21 ARG 4 HH21 ARG 4 60.435 5.429 7.899 34 HH22 ARG 4 HH22 ARG 4 60.790 4.187 6.745 35 H TRP 5 HN TRP 5 54.003 3.649 4.697 36 HA TRP 5 HA TRP 5 52.627 5.542 3.203 37 HB2 TRP 5 HB2 TRP 5 53.083 3.132 2.574 38 HB3 TRP 5 HB1 TRP 5 51.646 2.689 3.525 39 HD1 TRP 5 HD1 TRP 5 49.477 2.636 2.205 40 HE1 TRP 5 HE1 TRP 5 48.572 3.672 -0.002 41 HE3 TRP 5 HE3 TRP 5 53.514 5.527 0.954 42 HZ2 TRP 5 HZ2 TRP 5 49.503 5.508 -2.016 43 HZ3 TRP 5 HZ3 TRP 5 53.483 6.912 -1.114 44 HH2 TRP 5 HH2 TRP 5 51.483 6.905 -2.599 45 H LEU 6 HN LEU 6 51.574 3.996 6.143 46 HA LEU 6 HA LEU 6 48.794 5.059 5.876 47 HB2 LEU 6 HB2 LEU 6 50.176 3.106 7.738 48 HB3 LEU 6 HB1 LEU 6 48.620 3.825 8.190 49 HG LEU 6 HG LEU 6 48.498 1.560 7.036 50 HD11 LEU 6 HD11 LEU 6 46.640 3.408 7.055 51 HD12 LEU 6 HD12 LEU 6 46.487 2.059 5.912 52 HD13 LEU 6 HD13 LEU 6 47.060 3.638 5.343 53 HD21 LEU 6 HD21 LEU 6 49.192 3.142 4.528 54 HD22 LEU 6 HD22 LEU 6 48.900 1.394 4.669 55 HD23 LEU 6 HD23 LEU 6 50.352 2.115 5.403 56 H GLU 7 HN GLU 7 51.869 5.577 7.601 57 HA GLU 7 HA GLU 7 50.562 7.433 9.523 58 HB2 GLU 7 HB2 GLU 7 53.426 6.540 9.054 59 HB3 GLU 7 HB1 GLU 7 52.996 7.805 10.227 60 HG2 GLU 7 HG2 GLU 7 53.131 5.608 11.341 61 HG3 GLU 7 HG1 GLU 7 51.454 6.203 11.354 62 H ARG 8 HN ARG 8 51.633 7.580 6.322 63 HA ARG 8 HA ARG 8 52.696 10.325 6.440 64 HB2 ARG 8 HB2 ARG 8 51.959 8.435 4.171 65 HB3 ARG 8 HB1 ARG 8 52.516 10.103 3.893 66 HG2 ARG 8 HG2 ARG 8 54.604 9.636 5.112 67 HG3 ARG 8 HG1 ARG 8 54.046 7.985 5.469 68 HD2 ARG 8 HD2 ARG 8 55.576 7.974 3.533 69 HD3 ARG 8 HD1 ARG 8 53.936 7.507 3.029 70 HE ARG 8 HE ARG 8 54.115 10.301 2.671 71 HH11 ARG 8 HH11 ARG 8 53.924 10.686 0.376 72 HH12 ARG 8 HH12 ARG 8 55.069 9.901 -0.660 73 HH21 ARG 8 HH21 ARG 8 56.346 7.873 1.846 74 HH22 ARG 8 HH22 ARG 8 56.441 8.310 0.172 75 H ILE 9 HN ILE 9 50.690 10.049 3.750 76 HA ILE 9 HA ILE 9 48.862 12.092 4.847 77 HB ILE 9 HB ILE 9 48.847 10.752 2.107 78 HG12 ILE 9 HG12 ILE 9 51.010 12.042 2.828 79 HG13 ILE 9 HG11 ILE 9 50.263 12.453 1.273 80 HG21 ILE 9 HG21 ILE 9 47.633 12.905 1.494 81 HG22 ILE 9 HG22 ILE 9 47.505 13.236 3.239 82 HG23 ILE 9 HG23 ILE 9 46.732 11.790 2.548 83 HD11 ILE 9 HD1 ILE 9 49.680 13.993 3.842 84 HD12 ILE 9 HD2 ILE 9 49.277 14.460 2.176 85 HD13 ILE 9 HD3 ILE 9 50.972 14.439 2.710 86 H GLY 10 HN GLY 10 48.122 9.240 2.805 87 HA2 GLY 10 HA1 GLY 10 46.542 7.568 3.111 88 HA3 GLY 10 HA2 GLY 10 46.389 8.057 4.809 89 H LYS 11 HN LYS 11 45.750 10.845 4.183 90 HA LYS 11 HA LYS 11 42.945 10.453 3.132 91 HB2 LYS 11 HB2 LYS 11 43.956 12.449 5.200 92 HB3 LYS 11 HB1 LYS 11 42.273 12.243 4.657 93 HG2 LYS 11 HG2 LYS 11 42.465 9.801 5.433 94 HG3 LYS 11 HG1 LYS 11 43.986 10.275 6.228 95 HD2 LYS 11 HD2 LYS 11 41.230 11.484 6.734 96 HD3 LYS 11 HD1 LYS 11 42.126 10.409 7.833 97 HE2 LYS 11 HE2 LYS 11 44.020 12.204 7.711 98 HE3 LYS 11 HE1 LYS 11 42.756 13.275 7.056 99 HZ1 LYS 11 HZ1 LYS 11 43.179 13.102 9.617 100 HZ2 LYS 11 HZ2 LYS 11 42.179 11.734 9.490 101 HZ3 LYS 11 HZ3 LYS 11 41.603 13.258 9.009 102 H ALA 12 HN ALA 12 44.031 10.859 1.010 103 HA ALA 12 HA ALA 12 45.274 13.372 0.436 104 HB1 ALA 12 HB1 ALA 12 45.250 11.269 -0.992 105 HB2 ALA 12 HB2 ALA 12 44.973 12.797 -1.861 106 HB3 ALA 12 HB3 ALA 12 43.602 11.725 -1.485 107 H GLY 13 HN GLY 13 43.882 14.789 1.741 108 HA2 GLY 13 HA1 GLY 13 42.163 16.331 1.942 109 HA3 GLY 13 HA2 GLY 13 42.204 16.391 0.167 110 H PHE 14 HN PHE 14 41.198 13.958 2.611 111 HA PHE 14 HA PHE 14 39.227 12.761 2.806 112 HB2 PHE 14 HB2 PHE 14 37.865 14.983 1.244 113 HB3 PHE 14 HB1 PHE 14 37.163 13.902 2.472 114 HD1 PHE 14 HD1 PHE 14 38.907 17.036 1.889 115 HD2 PHE 14 HD2 PHE 14 38.051 14.037 4.873 116 HE1 PHE 14 HE1 PHE 14 39.529 18.645 3.686 117 HE2 PHE 14 HE2 PHE 14 38.673 15.648 6.670 118 HZ PHE 14 HZ PHE 14 39.502 17.919 6.070 119 H ILE 15 HN ILE 15 40.983 12.270 0.579 120 HA ILE 15 HA ILE 15 41.010 11.032 -1.364 121 HB ILE 15 HB ILE 15 38.063 10.423 -0.918 122 HG12 ILE 15 HG12 ILE 15 40.498 9.109 0.375 123 HG13 ILE 15 HG11 ILE 15 39.288 10.100 1.220 124 HG21 ILE 15 HG21 ILE 15 38.535 8.404 -2.115 125 HG22 ILE 15 HG22 ILE 15 40.293 8.648 -1.984 126 HG23 ILE 15 HG23 ILE 15 39.322 9.701 -3.039 127 HD11 ILE 15 HD1 ILE 15 38.580 7.872 1.624 128 HD12 ILE 15 HD2 ILE 15 38.943 7.360 -0.039 129 HD13 ILE 15 HD3 ILE 15 37.540 8.408 0.284 130 H ILE 16 HN ILE 16 41.060 13.452 -2.066 131 HA ILE 16 HA ILE 16 39.012 13.713 -4.248 132 HB ILE 16 HB ILE 16 38.555 15.292 -2.281 133 HG12 ILE 16 HG12 ILE 16 38.545 17.391 -3.916 134 HG13 ILE 16 HG11 ILE 16 39.104 16.219 -5.131 135 HG21 ILE 16 HG21 ILE 16 40.028 17.082 -1.797 136 HG22 ILE 16 HG22 ILE 16 40.962 16.835 -3.288 137 HG23 ILE 16 HG23 ILE 16 41.106 15.674 -1.947 138 HD11 ILE 16 HD1 ILE 16 37.101 14.880 -4.862 139 HD12 ILE 16 HD2 ILE 16 36.583 16.570 -5.029 140 HD13 ILE 16 HD3 ILE 16 36.602 15.804 -3.427 141 H ILE 17 HN ILE 17 42.224 14.572 -2.939 142 HA ILE 17 HA ILE 17 43.194 15.398 -5.615 143 HB ILE 17 HB ILE 17 44.717 14.856 -3.019 144 HG12 ILE 17 HG12 ILE 17 43.227 16.752 -2.711 145 HG13 ILE 17 HG11 ILE 17 44.879 17.367 -2.891 146 HG21 ILE 17 HG21 ILE 17 46.422 16.424 -4.376 147 HG22 ILE 17 HG22 ILE 17 45.572 15.744 -5.784 148 HG23 ILE 17 HG23 ILE 17 46.387 14.666 -4.634 149 HD11 ILE 17 HD1 ILE 17 44.250 17.605 -5.438 150 HD12 ILE 17 HD2 ILE 17 43.634 18.806 -4.287 151 HD13 ILE 17 HD3 ILE 17 42.573 17.502 -4.860 152 H GLY 18 HN GLY 18 43.518 12.702 -3.316 153 HA2 GLY 18 HA1 GLY 18 45.262 11.166 -5.056 154 HA3 GLY 18 HA2 GLY 18 44.404 10.576 -3.615 155 H GLY 19 HN GLY 19 41.776 11.057 -4.206 156 HA2 GLY 19 HA1 GLY 19 41.203 8.870 -5.996 157 HA3 GLY 19 HA2 GLY 19 40.024 9.986 -5.280 158 H ALA 20 HN ALA 20 41.153 12.421 -6.325 159 HA ALA 20 HA ALA 20 40.702 13.748 -8.185 160 HB1 ALA 20 HB1 ALA 20 41.921 13.090 -10.210 161 HB2 ALA 20 HB2 ALA 20 42.115 11.442 -9.566 162 HB3 ALA 20 HB3 ALA 20 42.907 12.814 -8.755 163 H LEU 21 HN LEU 21 38.418 12.494 -7.514 164 HA LEU 21 HA LEU 21 37.287 10.862 -9.603 165 HB2 LEU 21 HB2 LEU 21 35.716 12.694 -7.759 166 HB3 LEU 21 HB1 LEU 21 35.214 11.141 -8.470 167 HG LEU 21 HG LEU 21 37.374 11.565 -6.356 168 HD11 LEU 21 HD11 LEU 21 34.731 10.045 -6.257 169 HD12 LEU 21 HD12 LEU 21 34.971 11.689 -5.616 170 HD13 LEU 21 HD13 LEU 21 35.859 10.318 -4.908 171 HD21 LEU 21 HD21 LEU 21 36.516 9.115 -7.953 172 HD22 LEU 21 HD22 LEU 21 37.311 8.971 -6.367 173 HD23 LEU 21 HD23 LEU 21 38.158 9.759 -7.716 174 H ASP 22 HN ASP 22 37.330 11.580 -11.651 175 HA ASP 22 HA ASP 22 36.888 12.936 -13.480 176 HB2 ASP 22 HB2 ASP 22 34.560 12.568 -12.626 177 HB3 ASP 22 HB1 ASP 22 34.700 14.085 -11.705 178 H HIS 23 HN HIS 23 38.972 13.841 -11.875 179 HA HIS 23 HA HIS 23 40.207 15.747 -11.391 180 HB2 HIS 23 HB2 HIS 23 38.491 17.009 -13.563 181 HB3 HIS 23 HB1 HIS 23 40.115 17.521 -13.042 182 HD1 HIS 23 HD1 HIS 23 38.290 14.976 -15.119 183 HD2 HIS 23 HD2 HIS 23 42.219 15.665 -13.791 184 HE1 HIS 23 HE1 HIS 23 39.838 13.503 -16.521 185 H LEU 24 HN LEU 24 37.726 15.306 -9.883 186 HA LEU 24 HA LEU 24 37.599 17.932 -8.623 187 HB2 LEU 24 HB2 LEU 24 36.013 18.127 -10.620 188 HB3 LEU 24 HB1 LEU 24 35.023 16.874 -9.842 189 HG LEU 24 HG LEU 24 35.151 18.469 -7.717 190 HD11 LEU 24 HD11 LEU 24 35.749 20.380 -10.024 191 HD12 LEU 24 HD12 LEU 24 36.754 20.100 -8.584 192 HD13 LEU 24 HD13 LEU 24 35.171 20.889 -8.423 193 HD21 LEU 24 HD21 LEU 24 33.081 17.932 -8.966 194 HD22 LEU 24 HD22 LEU 24 33.482 19.178 -10.173 195 HD23 LEU 24 HD23 LEU 24 33.114 19.647 -8.496 Start of MODEL 44 1 H1 GLY 1 HT1 GLY 1 51.835 1.540 -5.000 2 H2 GLY 1 HT2 GLY 1 51.020 2.530 -6.115 3 H3 GLY 1 HT3 GLY 1 50.145 1.645 -4.959 4 HA2 GLY 1 HA1 GLY 1 51.443 4.173 -4.759 5 HA3 GLY 1 HA2 GLY 1 50.128 3.480 -3.791 6 H LYS 2 HN LYS 2 52.654 4.968 -3.086 7 HA LYS 2 HA LYS 2 53.454 3.136 -0.886 8 HB2 LYS 2 HB2 LYS 2 55.453 4.326 -2.853 9 HB3 LYS 2 HB1 LYS 2 55.871 3.508 -1.329 10 HG2 LYS 2 HG2 LYS 2 54.521 1.495 -2.227 11 HG3 LYS 2 HG1 LYS 2 54.556 2.320 -3.803 12 HD2 LYS 2 HD2 LYS 2 56.997 1.540 -2.145 13 HD3 LYS 2 HD1 LYS 2 56.421 0.700 -3.604 14 HE2 LYS 2 HE2 LYS 2 56.643 2.998 -4.792 15 HE3 LYS 2 HE1 LYS 2 57.601 3.489 -3.373 16 HZ1 LYS 2 HZ1 LYS 2 59.308 2.544 -4.410 17 HZ2 LYS 2 HZ2 LYS 2 58.318 1.777 -5.558 18 HZ3 LYS 2 HZ3 LYS 2 58.604 1.042 -4.053 19 H GLY 3 HN GLY 3 55.292 4.410 0.418 20 HA2 GLY 3 HA1 GLY 3 55.978 6.660 1.215 21 HA3 GLY 3 HA2 GLY 3 54.387 7.340 0.642 22 H ARG 4 HN ARG 4 52.741 6.262 0.892 23 HA ARG 4 HA ARG 4 52.556 7.820 2.743 24 HB2 ARG 4 HB2 ARG 4 50.294 5.873 2.067 25 HB3 ARG 4 HB1 ARG 4 50.077 7.403 2.958 26 HG2 ARG 4 HG2 ARG 4 51.065 8.649 1.048 27 HG3 ARG 4 HG1 ARG 4 51.249 7.120 0.153 28 HD2 ARG 4 HD2 ARG 4 48.597 8.224 1.179 29 HD3 ARG 4 HD1 ARG 4 49.179 8.376 -0.497 30 HE ARG 4 HE ARG 4 48.059 5.967 0.720 31 HH11 ARG 4 HH11 ARG 4 47.887 4.188 -0.664 32 HH12 ARG 4 HH12 ARG 4 48.827 4.144 -2.117 33 HH21 ARG 4 HH21 ARG 4 50.294 7.240 -1.577 34 HH22 ARG 4 HH22 ARG 4 50.190 5.871 -2.634 35 H TRP 5 HN TRP 5 53.393 4.765 3.056 36 HA TRP 5 HA TRP 5 52.296 3.473 5.263 37 HB2 TRP 5 HB2 TRP 5 55.285 3.845 4.815 38 HB3 TRP 5 HB1 TRP 5 54.508 2.530 5.727 39 HD1 TRP 5 HD1 TRP 5 55.337 3.675 2.229 40 HE1 TRP 5 HE1 TRP 5 54.630 1.869 0.496 41 HE3 TRP 5 HE3 TRP 5 52.641 0.604 5.314 42 HZ2 TRP 5 HZ2 TRP 5 53.098 -0.570 0.484 43 HZ3 TRP 5 HZ3 TRP 5 51.566 -1.457 4.420 44 HH2 TRP 5 HH2 TRP 5 51.793 -2.045 2.010 45 H LEU 6 HN LEU 6 53.853 6.550 5.227 46 HA LEU 6 HA LEU 6 53.940 6.626 8.236 47 HB2 LEU 6 HB2 LEU 6 56.121 7.028 7.218 48 HB3 LEU 6 HB1 LEU 6 55.430 8.246 6.127 49 HG LEU 6 HG LEU 6 54.906 9.712 8.031 50 HD11 LEU 6 HD11 LEU 6 54.361 8.276 9.841 51 HD12 LEU 6 HD12 LEU 6 55.930 8.954 10.323 52 HD13 LEU 6 HD13 LEU 6 55.841 7.310 9.645 53 HD21 LEU 6 HD21 LEU 6 57.163 9.824 7.018 54 HD22 LEU 6 HD22 LEU 6 57.742 8.595 8.169 55 HD23 LEU 6 HD23 LEU 6 57.224 10.192 8.759 56 H GLU 7 HN GLU 7 52.504 7.931 5.296 57 HA GLU 7 HA GLU 7 51.349 10.254 6.782 58 HB2 GLU 7 HB2 GLU 7 50.925 9.457 3.880 59 HB3 GLU 7 HB1 GLU 7 50.642 11.044 4.636 60 HG2 GLU 7 HG2 GLU 7 53.097 11.181 5.154 61 HG3 GLU 7 HG1 GLU 7 53.334 9.660 4.257 62 H ARG 8 HN ARG 8 50.679 7.273 7.163 63 HA ARG 8 HA ARG 8 48.001 6.910 6.142 64 HB2 ARG 8 HB2 ARG 8 49.554 5.084 6.942 65 HB3 ARG 8 HB1 ARG 8 49.239 5.630 8.606 66 HG2 ARG 8 HG2 ARG 8 46.848 5.196 8.348 67 HG3 ARG 8 HG1 ARG 8 47.074 4.783 6.631 68 HD2 ARG 8 HD2 ARG 8 48.487 2.867 7.250 69 HD3 ARG 8 HD1 ARG 8 48.344 3.297 8.972 70 HE ARG 8 HE ARG 8 46.273 2.184 8.955 71 HH11 ARG 8 HH11 ARG 8 44.372 3.562 7.605 72 HH12 ARG 8 HH12 ARG 8 44.152 2.798 6.065 73 HH21 ARG 8 HH21 ARG 8 47.164 1.084 6.189 74 HH22 ARG 8 HH22 ARG 8 45.733 1.395 5.264 75 H ILE 9 HN ILE 9 46.184 7.873 6.741 76 HA ILE 9 HA ILE 9 45.671 8.462 9.582 77 HB ILE 9 HB ILE 9 45.105 10.889 9.092 78 HG12 ILE 9 HG12 ILE 9 46.754 10.334 6.580 79 HG13 ILE 9 HG11 ILE 9 45.001 10.632 6.610 80 HG21 ILE 9 HG21 ILE 9 48.050 10.307 8.585 81 HG22 ILE 9 HG22 ILE 9 47.292 10.043 10.173 82 HG23 ILE 9 HG23 ILE 9 47.332 11.674 9.467 83 HD11 ILE 9 HD1 ILE 9 45.589 12.851 7.829 84 HD12 ILE 9 HD2 ILE 9 45.947 12.749 6.090 85 HD13 ILE 9 HD3 ILE 9 47.255 12.554 7.278 86 H GLY 10 HN GLY 10 44.771 7.738 6.406 87 HA2 GLY 10 HA1 GLY 10 42.716 7.383 5.405 88 HA3 GLY 10 HA2 GLY 10 42.115 7.078 7.047 89 H LYS 11 HN LYS 11 43.451 10.118 5.773 90 HA LYS 11 HA LYS 11 40.730 11.314 5.620 91 HB2 LYS 11 HB2 LYS 11 42.882 12.210 7.580 92 HB3 LYS 11 HB1 LYS 11 41.517 13.240 7.088 93 HG2 LYS 11 HG2 LYS 11 39.950 11.406 7.847 94 HG3 LYS 11 HG1 LYS 11 41.364 10.537 8.489 95 HD2 LYS 11 HD2 LYS 11 41.898 12.440 9.957 96 HD3 LYS 11 HD1 LYS 11 40.527 13.357 9.289 97 HE2 LYS 11 HE2 LYS 11 40.295 10.679 10.730 98 HE3 LYS 11 HE1 LYS 11 39.968 12.266 11.468 99 HZ1 LYS 11 HZ1 LYS 11 37.949 12.241 10.586 100 HZ2 LYS 11 HZ2 LYS 11 38.233 10.687 9.961 101 HZ3 LYS 11 HZ3 LYS 11 38.579 12.060 9.022 102 H ALA 12 HN ALA 12 41.476 11.234 3.362 103 HA ALA 12 HA ALA 12 43.739 12.920 2.592 104 HB1 ALA 12 HB1 ALA 12 43.197 11.067 1.177 105 HB2 ALA 12 HB2 ALA 12 42.780 12.543 0.275 106 HB3 ALA 12 HB3 ALA 12 41.499 11.579 1.048 107 H GLY 13 HN GLY 13 41.732 14.226 4.264 108 HA2 GLY 13 HA1 GLY 13 40.526 16.200 4.329 109 HA3 GLY 13 HA2 GLY 13 41.592 16.729 3.013 110 H PHE 14 HN PHE 14 39.053 14.212 3.198 111 HA PHE 14 HA PHE 14 37.106 13.945 1.994 112 HB2 PHE 14 HB2 PHE 14 36.802 16.418 2.735 113 HB3 PHE 14 HB1 PHE 14 37.268 16.839 1.072 114 HD1 PHE 14 HD1 PHE 14 35.671 16.716 -0.693 115 HD2 PHE 14 HD2 PHE 14 34.861 14.745 3.062 116 HE1 PHE 14 HE1 PHE 14 33.351 16.219 -1.452 117 HE2 PHE 14 HE2 PHE 14 32.542 14.249 2.301 118 HZ PHE 14 HZ PHE 14 31.773 15.025 0.062 119 H ILE 15 HN ILE 15 39.312 12.997 0.799 120 HA ILE 15 HA ILE 15 40.124 12.322 -1.239 121 HB ILE 15 HB ILE 15 37.633 13.564 -2.471 122 HG12 ILE 15 HG12 ILE 15 36.855 12.233 -0.617 123 HG13 ILE 15 HG11 ILE 15 36.595 11.271 -2.084 124 HG21 ILE 15 HG21 ILE 15 38.949 12.835 -4.260 125 HG22 ILE 15 HG22 ILE 15 37.986 11.379 -3.942 126 HG23 ILE 15 HG23 ILE 15 39.658 11.484 -3.351 127 HD11 ILE 15 HD1 ILE 15 37.544 9.741 -0.536 128 HD12 ILE 15 HD2 ILE 15 38.726 10.931 0.053 129 HD13 ILE 15 HD3 ILE 15 38.916 10.210 -1.561 130 H ILE 16 HN ILE 16 41.730 13.984 -0.806 131 HA ILE 16 HA ILE 16 41.825 15.918 -3.097 132 HB ILE 16 HB ILE 16 42.657 16.514 -0.225 133 HG12 ILE 16 HG12 ILE 16 40.126 16.611 -0.812 134 HG13 ILE 16 HG11 ILE 16 40.850 18.033 -0.044 135 HG21 ILE 16 HG21 ILE 16 43.070 18.840 -1.208 136 HG22 ILE 16 HG22 ILE 16 42.905 18.094 -2.817 137 HG23 ILE 16 HG23 ILE 16 44.210 17.576 -1.724 138 HD11 ILE 16 HD1 ILE 16 39.305 18.528 -2.008 139 HD12 ILE 16 HD2 ILE 16 40.520 17.784 -3.067 140 HD13 ILE 16 HD3 ILE 16 40.928 19.238 -2.131 141 H ILE 17 HN ILE 17 43.604 14.438 -0.353 142 HA ILE 17 HA ILE 17 46.175 14.642 -1.697 143 HB ILE 17 HB ILE 17 45.192 13.029 0.705 144 HG12 ILE 17 HG12 ILE 17 46.677 14.586 1.941 145 HG13 ILE 17 HG11 ILE 17 47.131 15.372 0.412 146 HG21 ILE 17 HG21 ILE 17 47.929 13.075 -0.631 147 HG22 ILE 17 HG22 ILE 17 46.944 11.658 -0.192 148 HG23 ILE 17 HG23 ILE 17 47.718 12.631 1.081 149 HD11 ILE 17 HD1 ILE 17 44.993 16.329 0.122 150 HD12 ILE 17 HD2 ILE 17 45.238 16.454 1.876 151 HD13 ILE 17 HD3 ILE 17 44.209 15.164 1.213 152 H GLY 18 HN GLY 18 43.939 11.924 -0.981 153 HA2 GLY 18 HA1 GLY 18 45.394 10.058 -2.641 154 HA3 GLY 18 HA2 GLY 18 43.765 9.835 -1.970 155 H GLY 19 HN GLY 19 42.287 11.827 -3.048 156 HA2 GLY 19 HA1 GLY 19 41.770 10.852 -5.676 157 HA3 GLY 19 HA2 GLY 19 41.137 12.358 -4.985 158 H ALA 20 HN ALA 20 43.440 13.811 -4.557 159 HA ALA 20 HA ALA 20 44.904 15.216 -5.663 160 HB1 ALA 20 HB1 ALA 20 45.229 13.079 -7.785 161 HB2 ALA 20 HB2 ALA 20 45.969 12.938 -6.174 162 HB3 ALA 20 HB3 ALA 20 46.409 14.294 -7.240 163 H LEU 21 HN LEU 21 41.978 14.277 -6.870 164 HA LEU 21 HA LEU 21 40.616 15.044 -8.596 165 HB2 LEU 21 HB2 LEU 21 42.206 17.623 -8.392 166 HB3 LEU 21 HB1 LEU 21 40.478 17.411 -8.760 167 HG LEU 21 HG LEU 21 41.843 16.816 -6.095 168 HD11 LEU 21 HD11 LEU 21 39.786 18.924 -6.893 169 HD12 LEU 21 HD12 LEU 21 41.519 19.233 -6.630 170 HD13 LEU 21 HD13 LEU 21 40.493 18.702 -5.275 171 HD21 LEU 21 HD21 LEU 21 39.367 16.557 -5.373 172 HD22 LEU 21 HD22 LEU 21 40.071 15.223 -6.315 173 HD23 LEU 21 HD23 LEU 21 38.999 16.402 -7.108 174 H ASP 22 HN ASP 22 41.804 13.505 -10.039 175 HA ASP 22 HA ASP 22 42.468 14.866 -12.503 176 HB2 ASP 22 HB2 ASP 22 44.820 14.092 -12.694 177 HB3 ASP 22 HB1 ASP 22 44.609 15.273 -11.379 178 H HIS 23 HN HIS 23 40.666 12.825 -11.535 179 HA HIS 23 HA HIS 23 39.924 10.698 -12.099 180 HB2 HIS 23 HB2 HIS 23 41.626 11.228 -14.568 181 HB3 HIS 23 HB1 HIS 23 40.338 10.007 -14.430 182 HD1 HIS 23 HD1 HIS 23 38.258 11.719 -12.829 183 HD2 HIS 23 HD2 HIS 23 40.353 13.095 -16.205 184 HE1 HIS 23 HE1 HIS 23 36.872 13.595 -13.871 185 H LEU 24 HN LEU 24 42.114 10.698 -10.357 186 HA LEU 24 HA LEU 24 44.296 9.071 -11.164 187 HB2 LEU 24 HB2 LEU 24 43.795 10.390 -8.930 188 HB3 LEU 24 HB1 LEU 24 43.092 8.851 -8.387 189 HG LEU 24 HG LEU 24 45.938 9.266 -9.420 190 HD11 LEU 24 HD11 LEU 24 46.578 8.766 -7.090 191 HD12 LEU 24 HD12 LEU 24 44.864 8.596 -6.643 192 HD13 LEU 24 HD13 LEU 24 45.500 10.180 -7.148 193 HD21 LEU 24 HD21 LEU 24 44.362 6.795 -8.592 194 HD22 LEU 24 HD22 LEU 24 46.137 6.841 -8.463 195 HD23 LEU 24 HD23 LEU 24 45.357 7.047 -10.046 Start of MODEL 45 1 H1 GLY 1 HT1 GLY 1 62.407 4.897 7.285 2 H2 GLY 1 HT2 GLY 1 63.945 4.175 7.232 3 H3 GLY 1 HT3 GLY 1 63.286 4.674 8.718 4 HA2 GLY 1 HA1 GLY 1 63.152 2.201 7.589 5 HA3 GLY 1 HA2 GLY 1 62.274 2.790 9.013 6 H LYS 2 HN LYS 2 61.321 0.813 7.208 7 HA LYS 2 HA LYS 2 59.439 2.058 5.353 8 HB2 LYS 2 HB2 LYS 2 59.499 -0.773 6.471 9 HB3 LYS 2 HB1 LYS 2 58.598 -0.217 5.040 10 HG2 LYS 2 HG2 LYS 2 60.739 0.439 3.958 11 HG3 LYS 2 HG1 LYS 2 61.629 -0.165 5.378 12 HD2 LYS 2 HD2 LYS 2 60.697 -2.429 5.005 13 HD3 LYS 2 HD1 LYS 2 59.806 -1.829 3.585 14 HE2 LYS 2 HE2 LYS 2 61.975 -1.162 2.539 15 HE3 LYS 2 HE1 LYS 2 62.836 -1.853 3.936 16 HZ1 LYS 2 HZ1 LYS 2 61.101 -3.294 1.995 17 HZ2 LYS 2 HZ2 LYS 2 61.696 -3.988 3.428 18 HZ3 LYS 2 HZ3 LYS 2 62.772 -3.481 2.215 19 H GLY 3 HN GLY 3 57.065 0.891 5.638 20 HA2 GLY 3 HA1 GLY 3 55.553 0.482 7.797 21 HA3 GLY 3 HA2 GLY 3 55.975 2.224 8.137 22 H ARG 4 HN ARG 4 56.312 3.435 6.607 23 HA ARG 4 HA ARG 4 54.045 4.062 7.193 24 HB2 ARG 4 HB2 ARG 4 55.673 5.578 5.097 25 HB3 ARG 4 HB1 ARG 4 54.260 6.267 5.938 26 HG2 ARG 4 HG2 ARG 4 55.330 5.963 8.106 27 HG3 ARG 4 HG1 ARG 4 56.693 5.096 7.358 28 HD2 ARG 4 HD2 ARG 4 57.289 7.132 6.077 29 HD3 ARG 4 HD1 ARG 4 55.931 8.002 6.827 30 HE ARG 4 HE ARG 4 57.574 6.922 8.902 31 HH11 ARG 4 HH11 ARG 4 59.632 7.964 6.920 32 HH12 ARG 4 HH12 ARG 4 59.847 9.591 7.476 33 HH21 ARG 4 HH21 ARG 4 56.962 9.591 9.400 34 HH22 ARG 4 HH22 ARG 4 58.333 10.512 8.880 35 H TRP 5 HN TRP 5 54.813 2.296 4.656 36 HA TRP 5 HA TRP 5 53.381 2.880 2.349 37 HB2 TRP 5 HB2 TRP 5 54.673 0.801 2.671 38 HB3 TRP 5 HB1 TRP 5 53.405 0.178 3.754 39 HD1 TRP 5 HD1 TRP 5 51.605 -1.209 2.626 40 HE1 TRP 5 HE1 TRP 5 50.696 -1.539 0.213 41 HE3 TRP 5 HE3 TRP 5 54.402 2.339 0.220 42 HZ2 TRP 5 HZ2 TRP 5 51.148 -0.397 -2.393 43 HZ3 TRP 5 HZ3 TRP 5 54.146 2.703 -2.230 44 HH2 TRP 5 HH2 TRP 5 52.523 1.338 -3.537 45 H LEU 6 HN LEU 6 52.071 2.401 5.505 46 HA LEU 6 HA LEU 6 49.271 2.343 4.383 47 HB2 LEU 6 HB2 LEU 6 50.226 1.383 7.114 48 HB3 LEU 6 HB1 LEU 6 48.577 1.286 6.462 49 HG LEU 6 HG LEU 6 49.889 -0.019 4.447 50 HD11 LEU 6 HD11 LEU 6 51.450 -0.851 6.931 51 HD12 LEU 6 HD12 LEU 6 52.094 0.289 5.730 52 HD13 LEU 6 HD13 LEU 6 51.701 -1.377 5.250 53 HD21 LEU 6 HD21 LEU 6 48.005 -0.982 5.641 54 HD22 LEU 6 HD22 LEU 6 48.982 -1.192 7.114 55 HD23 LEU 6 HD23 LEU 6 49.332 -2.166 5.666 56 H GLU 7 HN GLU 7 51.655 4.092 6.254 57 HA GLU 7 HA GLU 7 49.574 5.719 7.633 58 HB2 GLU 7 HB2 GLU 7 52.606 5.988 7.612 59 HB3 GLU 7 HB1 GLU 7 51.472 6.823 8.699 60 HG2 GLU 7 HG2 GLU 7 51.754 3.792 8.508 61 HG3 GLU 7 HG1 GLU 7 52.545 4.798 9.744 62 H ARG 8 HN ARG 8 51.155 5.642 4.633 63 HA ARG 8 HA ARG 8 51.308 8.568 4.277 64 HB2 ARG 8 HB2 ARG 8 52.876 6.888 3.187 65 HB3 ARG 8 HB1 ARG 8 51.509 6.395 2.159 66 HG2 ARG 8 HG2 ARG 8 51.273 8.718 1.342 67 HG3 ARG 8 HG1 ARG 8 52.625 9.227 2.382 68 HD2 ARG 8 HD2 ARG 8 54.101 7.583 1.186 69 HD3 ARG 8 HD1 ARG 8 52.750 7.225 0.084 70 HE ARG 8 HE ARG 8 53.108 10.031 0.047 71 HH11 ARG 8 HH11 ARG 8 53.310 8.039 -2.285 72 HH12 ARG 8 HH12 ARG 8 54.913 8.368 -2.851 73 HH21 ARG 8 HH21 ARG 8 55.854 10.087 0.010 74 HH22 ARG 8 HH22 ARG 8 56.354 9.527 -1.551 75 H ILE 9 HN ILE 9 48.929 8.656 4.984 76 HA ILE 9 HA ILE 9 46.949 7.796 3.023 77 HB ILE 9 HB ILE 9 45.401 9.280 4.366 78 HG12 ILE 9 HG12 ILE 9 47.331 9.580 6.625 79 HG13 ILE 9 HG11 ILE 9 47.822 10.524 5.205 80 HG21 ILE 9 HG21 ILE 9 45.594 6.930 4.906 81 HG22 ILE 9 HG22 ILE 9 45.579 7.837 6.438 82 HG23 ILE 9 HG23 ILE 9 47.112 7.201 5.795 83 HD11 ILE 9 HD1 ILE 9 45.020 10.609 6.398 84 HD12 ILE 9 HD2 ILE 9 45.691 11.672 5.139 85 HD13 ILE 9 HD3 ILE 9 46.313 11.763 6.805 86 H GLY 10 HN GLY 10 47.898 8.714 1.090 87 HA2 GLY 10 HA1 GLY 10 48.476 11.399 0.614 88 HA3 GLY 10 HA2 GLY 10 47.785 10.300 -0.597 89 H LYS 11 HN LYS 11 45.317 9.847 0.926 90 HA LYS 11 HA LYS 11 43.734 11.923 -0.209 91 HB2 LYS 11 HB2 LYS 11 43.125 9.999 2.070 92 HB3 LYS 11 HB1 LYS 11 41.915 11.015 1.251 93 HG2 LYS 11 HG2 LYS 11 42.252 9.902 -0.849 94 HG3 LYS 11 HG1 LYS 11 43.729 9.098 -0.267 95 HD2 LYS 11 HD2 LYS 11 41.907 7.478 -0.258 96 HD3 LYS 11 HD1 LYS 11 42.332 7.863 1.425 97 HE2 LYS 11 HE2 LYS 11 40.411 9.258 1.703 98 HE3 LYS 11 HE1 LYS 11 40.105 9.323 -0.050 99 HZ1 LYS 11 HZ1 LYS 11 39.792 6.993 1.766 100 HZ2 LYS 11 HZ2 LYS 11 39.772 6.857 0.072 101 HZ3 LYS 11 HZ3 LYS 11 38.588 7.780 0.868 102 H ALA 12 HN ALA 12 44.006 14.010 0.307 103 HA ALA 12 HA ALA 12 44.813 14.881 2.942 104 HB1 ALA 12 HB1 ALA 12 45.179 16.119 0.774 105 HB2 ALA 12 HB2 ALA 12 44.500 17.107 2.090 106 HB3 ALA 12 HB3 ALA 12 43.445 16.517 0.783 107 H GLY 13 HN GLY 13 42.029 13.460 1.993 108 HA2 GLY 13 HA1 GLY 13 39.820 13.534 2.716 109 HA3 GLY 13 HA2 GLY 13 40.572 13.822 4.296 110 H PHE 14 HN PHE 14 40.606 16.005 1.476 111 HA PHE 14 HA PHE 14 38.441 17.651 2.459 112 HB2 PHE 14 HB2 PHE 14 40.283 18.073 4.177 113 HB3 PHE 14 HB1 PHE 14 41.211 18.836 2.865 114 HD1 PHE 14 HD1 PHE 14 40.944 21.168 2.571 115 HD2 PHE 14 HD2 PHE 14 37.722 18.892 4.330 116 HE1 PHE 14 HE1 PHE 14 39.642 23.263 2.902 117 HE2 PHE 14 HE2 PHE 14 36.423 20.990 4.659 118 HZ PHE 14 HZ PHE 14 37.354 23.166 3.883 119 H ILE 15 HN ILE 15 41.007 16.872 0.296 120 HA ILE 15 HA ILE 15 39.736 18.508 -1.792 121 HB ILE 15 HB ILE 15 41.933 19.603 -2.459 122 HG12 ILE 15 HG12 ILE 15 42.708 18.759 0.373 123 HG13 ILE 15 HG11 ILE 15 43.394 18.089 -1.126 124 HG21 ILE 15 HG21 ILE 15 40.029 20.728 -1.126 125 HG22 ILE 15 HG22 ILE 15 41.631 21.486 -1.023 126 HG23 ILE 15 HG23 ILE 15 41.039 20.476 0.315 127 HD11 ILE 15 HD1 ILE 15 44.961 19.746 -0.453 128 HD12 ILE 15 HD2 ILE 15 43.682 20.898 -0.007 129 HD13 ILE 15 HD3 ILE 15 44.004 20.546 -1.722 130 H ILE 16 HN ILE 16 39.769 15.830 -1.629 131 HA ILE 16 HA ILE 16 41.492 15.125 -3.956 132 HB ILE 16 HB ILE 16 41.592 13.901 -1.200 133 HG12 ILE 16 HG12 ILE 16 43.416 15.381 -2.329 134 HG13 ILE 16 HG11 ILE 16 43.935 13.903 -1.505 135 HG21 ILE 16 HG21 ILE 16 41.791 12.300 -3.779 136 HG22 ILE 16 HG22 ILE 16 40.825 11.951 -2.327 137 HG23 ILE 16 HG23 ILE 16 42.593 11.776 -2.279 138 HD11 ILE 16 HD1 ILE 16 44.318 12.750 -3.547 139 HD12 ILE 16 HD2 ILE 16 44.935 14.388 -3.852 140 HD13 ILE 16 HD3 ILE 16 43.353 13.904 -4.494 141 H ILE 17 HN ILE 17 39.032 13.986 -1.604 142 HA ILE 17 HA ILE 17 37.816 12.202 -3.580 143 HB ILE 17 HB ILE 17 35.899 12.214 -1.739 144 HG12 ILE 17 HG12 ILE 17 36.637 12.905 0.477 145 HG13 ILE 17 HG11 ILE 17 38.237 13.363 -0.143 146 HG21 ILE 17 HG21 ILE 17 38.721 11.163 -1.263 147 HG22 ILE 17 HG22 ILE 17 37.376 10.313 -2.061 148 HG23 ILE 17 HG23 ILE 17 37.298 10.665 -0.318 149 HD11 ILE 17 HD1 ILE 17 36.561 15.276 0.239 150 HD12 ILE 17 HD2 ILE 17 35.669 14.640 -1.161 151 HD13 ILE 17 HD3 ILE 17 37.341 15.225 -1.357 152 H GLY 18 HN GLY 18 38.069 15.295 -3.883 153 HA2 GLY 18 HA1 GLY 18 35.634 15.587 -5.399 154 HA3 GLY 18 HA2 GLY 18 35.528 16.486 -3.872 155 H GLY 19 HN GLY 19 38.416 17.030 -3.777 156 HA2 GLY 19 HA1 GLY 19 38.360 19.469 -5.374 157 HA3 GLY 19 HA2 GLY 19 39.674 18.913 -4.318 158 H ALA 20 HN ALA 20 39.625 16.241 -5.760 159 HA ALA 20 HA ALA 20 41.702 16.887 -7.655 160 HB1 ALA 20 HB1 ALA 20 41.514 14.467 -8.263 161 HB2 ALA 20 HB2 ALA 20 40.095 14.353 -7.193 162 HB3 ALA 20 HB3 ALA 20 41.693 14.754 -6.516 163 H LEU 21 HN LEU 21 38.322 15.732 -8.053 164 HA LEU 21 HA LEU 21 36.920 15.823 -9.904 165 HB2 LEU 21 HB2 LEU 21 38.618 18.197 -10.763 166 HB3 LEU 21 HB1 LEU 21 36.931 17.861 -11.210 167 HG LEU 21 HG LEU 21 37.853 18.321 -8.334 168 HD11 LEU 21 HD11 LEU 21 36.557 20.281 -10.276 169 HD12 LEU 21 HD12 LEU 21 38.260 20.324 -9.759 170 HD13 LEU 21 HD13 LEU 21 36.961 20.599 -8.573 171 HD21 LEU 21 HD21 LEU 21 35.750 17.148 -8.376 172 HD22 LEU 21 HD22 LEU 21 35.141 18.141 -9.721 173 HD23 LEU 21 HD23 LEU 21 35.345 18.857 -8.105 174 H ASP 22 HN ASP 22 38.611 13.846 -10.233 175 HA ASP 22 HA ASP 22 39.071 13.843 -13.143 176 HB2 ASP 22 HB2 ASP 22 41.387 13.555 -11.187 177 HB3 ASP 22 HB1 ASP 22 41.462 13.144 -12.918 178 H HIS 23 HN HIS 23 37.243 12.328 -12.429 179 HA HIS 23 HA HIS 23 36.495 10.157 -12.075 180 HB2 HIS 23 HB2 HIS 23 37.875 9.836 -14.124 181 HB3 HIS 23 HB1 HIS 23 39.273 9.442 -13.095 182 HD1 HIS 23 HD1 HIS 23 39.522 7.052 -12.384 183 HD2 HIS 23 HD2 HIS 23 35.616 7.935 -13.670 184 HE1 HIS 23 HE1 HIS 23 38.211 4.859 -12.401 185 H LEU 24 HN LEU 24 37.564 11.447 -9.780 186 HA LEU 24 HA LEU 24 38.012 9.094 -8.124 187 HB2 LEU 24 HB2 LEU 24 40.297 9.291 -8.890 188 HB3 LEU 24 HB1 LEU 24 40.300 11.044 -8.605 189 HG LEU 24 HG LEU 24 40.189 10.728 -6.199 190 HD11 LEU 24 HD11 LEU 24 39.687 7.818 -6.938 191 HD12 LEU 24 HD12 LEU 24 38.716 8.882 -5.891 192 HD13 LEU 24 HD13 LEU 24 40.289 8.278 -5.327 193 HD21 LEU 24 HD21 LEU 24 42.156 8.713 -7.376 194 HD22 LEU 24 HD22 LEU 24 42.304 9.554 -5.814 195 HD23 LEU 24 HD23 LEU 24 42.411 10.475 -7.333 Start of MODEL 46 1 H1 GLY 1 HT1 GLY 1 57.297 -3.647 5.455 2 H2 GLY 1 HT2 GLY 1 56.077 -2.917 6.384 3 H3 GLY 1 HT3 GLY 1 57.455 -3.562 7.140 4 HA2 GLY 1 HA1 GLY 1 58.492 -1.680 6.979 5 HA3 GLY 1 HA2 GLY 1 58.302 -1.758 5.217 6 H LYS 2 HN LYS 2 58.144 0.564 5.279 7 HA LYS 2 HA LYS 2 55.389 1.438 5.264 8 HB2 LYS 2 HB2 LYS 2 55.516 3.088 7.104 9 HB3 LYS 2 HB1 LYS 2 55.706 1.429 7.714 10 HG2 LYS 2 HG2 LYS 2 58.225 1.765 7.567 11 HG3 LYS 2 HG1 LYS 2 57.903 3.485 7.242 12 HD2 LYS 2 HD2 LYS 2 56.704 3.701 9.372 13 HD3 LYS 2 HD1 LYS 2 56.912 1.962 9.692 14 HE2 LYS 2 HE2 LYS 2 58.624 3.153 10.933 15 HE3 LYS 2 HE1 LYS 2 59.415 2.318 9.574 16 HZ1 LYS 2 HZ1 LYS 2 58.811 5.195 9.891 17 HZ2 LYS 2 HZ2 LYS 2 59.008 4.524 8.342 18 HZ3 LYS 2 HZ3 LYS 2 60.276 4.449 9.472 19 H GLY 3 HN GLY 3 56.251 4.258 6.009 20 HA2 GLY 3 HA1 GLY 3 56.799 6.135 4.594 21 HA3 GLY 3 HA2 GLY 3 58.374 5.193 4.376 22 H ARG 4 HN ARG 4 55.316 5.627 4.188 23 HA ARG 4 HA ARG 4 55.160 6.903 2.447 24 HB2 ARG 4 HB2 ARG 4 55.441 4.349 0.942 25 HB3 ARG 4 HB1 ARG 4 54.149 5.404 0.319 26 HG2 ARG 4 HG2 ARG 4 55.615 7.000 -0.505 27 HG3 ARG 4 HG1 ARG 4 56.782 6.798 0.805 28 HD2 ARG 4 HD2 ARG 4 57.812 6.013 -1.241 29 HD3 ARG 4 HD1 ARG 4 57.443 4.574 -0.266 30 HE ARG 4 HE ARG 4 56.238 5.262 -2.831 31 HH11 ARG 4 HH11 ARG 4 53.702 4.995 -1.976 32 HH12 ARG 4 HH12 ARG 4 53.426 3.327 -1.601 33 HH21 ARG 4 HH21 ARG 4 56.798 2.539 -1.405 34 HH22 ARG 4 HH22 ARG 4 55.178 1.937 -1.276 35 H TRP 5 HN TRP 5 54.002 4.518 4.177 36 HA TRP 5 HA TRP 5 51.391 3.838 3.591 37 HB2 TRP 5 HB2 TRP 5 52.575 3.237 5.691 38 HB3 TRP 5 HB1 TRP 5 52.366 4.913 6.257 39 HD1 TRP 5 HD1 TRP 5 50.106 2.031 4.962 40 HE1 TRP 5 HE1 TRP 5 47.868 2.059 6.285 41 HE3 TRP 5 HE3 TRP 5 50.955 6.136 7.899 42 HZ2 TRP 5 HZ2 TRP 5 46.642 3.664 8.337 43 HZ3 TRP 5 HZ3 TRP 5 49.238 6.898 9.533 44 HH2 TRP 5 HH2 TRP 5 47.085 5.667 9.754 45 H LEU 6 HN LEU 6 52.680 6.994 4.240 46 HA LEU 6 HA LEU 6 49.996 8.229 4.588 47 HB2 LEU 6 HB2 LEU 6 52.780 9.469 4.552 48 HB3 LEU 6 HB1 LEU 6 51.264 10.306 4.942 49 HG LEU 6 HG LEU 6 51.040 8.288 6.744 50 HD11 LEU 6 HD11 LEU 6 53.281 7.807 7.734 51 HD12 LEU 6 HD12 LEU 6 54.052 8.641 6.366 52 HD13 LEU 6 HD13 LEU 6 53.128 7.148 6.092 53 HD21 LEU 6 HD21 LEU 6 51.026 10.653 7.353 54 HD22 LEU 6 HD22 LEU 6 52.777 10.778 7.061 55 HD23 LEU 6 HD23 LEU 6 52.167 9.794 8.414 56 H GLU 7 HN GLU 7 52.559 7.768 2.154 57 HA GLU 7 HA GLU 7 51.484 9.910 0.428 58 HB2 GLU 7 HB2 GLU 7 53.394 7.630 -0.186 59 HB3 GLU 7 HB1 GLU 7 53.083 9.043 -1.222 60 HG2 GLU 7 HG2 GLU 7 53.780 10.485 0.807 61 HG3 GLU 7 HG1 GLU 7 54.393 8.977 1.527 62 H ARG 8 HN ARG 8 50.624 6.674 1.161 63 HA ARG 8 HA ARG 8 49.598 5.917 -1.441 64 HB2 ARG 8 HB2 ARG 8 48.931 4.950 1.365 65 HB3 ARG 8 HB1 ARG 8 48.344 4.186 -0.132 66 HG2 ARG 8 HG2 ARG 8 50.745 3.923 -0.863 67 HG3 ARG 8 HG1 ARG 8 51.247 4.520 0.738 68 HD2 ARG 8 HD2 ARG 8 49.934 2.661 1.794 69 HD3 ARG 8 HD1 ARG 8 49.573 2.035 0.167 70 HE ARG 8 HE ARG 8 52.412 2.359 0.454 71 HH11 ARG 8 HH11 ARG 8 50.386 -0.018 -0.254 72 HH12 ARG 8 HH12 ARG 8 51.042 -1.231 0.793 73 HH21 ARG 8 HH21 ARG 8 52.999 0.999 2.588 74 HH22 ARG 8 HH22 ARG 8 52.522 -0.656 2.402 75 H ILE 9 HN ILE 9 47.111 5.203 -1.418 76 HA ILE 9 HA ILE 9 45.658 7.636 -1.669 77 HB ILE 9 HB ILE 9 44.945 5.715 -2.946 78 HG12 ILE 9 HG12 ILE 9 42.556 5.664 -2.503 79 HG13 ILE 9 HG11 ILE 9 42.797 6.164 -0.817 80 HG21 ILE 9 HG21 ILE 9 44.272 3.623 -2.048 81 HG22 ILE 9 HG22 ILE 9 44.124 4.267 -0.399 82 HG23 ILE 9 HG23 ILE 9 45.730 4.050 -1.127 83 HD11 ILE 9 HD1 ILE 9 42.084 7.983 -2.538 84 HD12 ILE 9 HD2 ILE 9 43.763 7.897 -3.120 85 HD13 ILE 9 HD3 ILE 9 43.425 8.369 -1.436 86 H GLY 10 HN GLY 10 45.331 8.971 -0.023 87 HA2 GLY 10 HA1 GLY 10 43.395 8.726 1.884 88 HA3 GLY 10 HA2 GLY 10 44.778 7.947 2.682 89 H LYS 11 HN LYS 11 44.709 10.732 0.443 90 HA LYS 11 HA LYS 11 46.593 12.274 1.833 91 HB2 LYS 11 HB2 LYS 11 45.462 12.689 -0.466 92 HB3 LYS 11 HB1 LYS 11 44.182 13.507 0.455 93 HG2 LYS 11 HG2 LYS 11 45.591 15.326 0.016 94 HG3 LYS 11 HG1 LYS 11 46.237 14.796 1.583 95 HD2 LYS 11 HD2 LYS 11 48.216 14.967 0.335 96 HD3 LYS 11 HD1 LYS 11 47.817 13.255 0.071 97 HE2 LYS 11 HE2 LYS 11 46.718 13.844 -2.079 98 HE3 LYS 11 HE1 LYS 11 47.108 15.558 -1.805 99 HZ1 LYS 11 HZ1 LYS 11 48.681 14.126 -3.235 100 HZ2 LYS 11 HZ2 LYS 11 49.238 13.511 -1.752 101 HZ3 LYS 11 HZ3 LYS 11 49.354 15.174 -2.084 102 H ALA 12 HN ALA 12 43.160 11.789 2.458 103 HA ALA 12 HA ALA 12 43.467 12.905 5.148 104 HB1 ALA 12 HB1 ALA 12 43.176 14.994 3.986 105 HB2 ALA 12 HB2 ALA 12 41.647 14.607 4.813 106 HB3 ALA 12 HB3 ALA 12 41.805 14.343 3.059 107 H GLY 13 HN GLY 13 41.967 11.034 2.754 108 HA2 GLY 13 HA1 GLY 13 40.232 9.509 2.843 109 HA3 GLY 13 HA2 GLY 13 40.435 9.529 4.607 110 H PHE 14 HN PHE 14 39.638 12.358 2.651 111 HA PHE 14 HA PHE 14 36.762 12.178 3.320 112 HB2 PHE 14 HB2 PHE 14 37.870 13.128 5.380 113 HB3 PHE 14 HB1 PHE 14 38.429 14.493 4.384 114 HD1 PHE 14 HD1 PHE 14 35.263 12.558 5.110 115 HD2 PHE 14 HD2 PHE 14 37.041 16.406 4.280 116 HE1 PHE 14 HE1 PHE 14 33.043 13.650 5.399 117 HE2 PHE 14 HE2 PHE 14 34.821 17.493 4.568 118 HZ PHE 14 HZ PHE 14 32.827 16.120 5.156 119 H ILE 15 HN ILE 15 39.408 13.183 1.478 120 HA ILE 15 HA ILE 15 37.629 14.421 -0.506 121 HB ILE 15 HB ILE 15 39.069 16.489 -0.722 122 HG12 ILE 15 HG12 ILE 15 40.055 15.617 2.035 123 HG13 ILE 15 HG11 ILE 15 41.023 15.570 0.545 124 HG21 ILE 15 HG21 ILE 15 37.780 16.318 2.030 125 HG22 ILE 15 HG22 ILE 15 36.822 16.364 0.532 126 HG23 ILE 15 HG23 ILE 15 37.884 17.726 0.949 127 HD11 ILE 15 HD1 ILE 15 39.964 17.994 2.033 128 HD12 ILE 15 HD2 ILE 15 40.459 18.101 0.327 129 HD13 ILE 15 HD3 ILE 15 41.639 17.622 1.569 130 H ILE 16 HN ILE 16 39.095 12.038 -0.442 131 HA ILE 16 HA ILE 16 40.859 12.520 -2.777 132 HB ILE 16 HB ILE 16 42.312 12.674 -0.716 133 HG12 ILE 16 HG12 ILE 16 43.974 10.900 -1.502 134 HG13 ILE 16 HG11 ILE 16 42.727 10.327 -2.632 135 HG21 ILE 16 HG21 ILE 16 41.722 9.707 -0.402 136 HG22 ILE 16 HG22 ILE 16 40.911 10.965 0.562 137 HG23 ILE 16 HG23 ILE 16 42.674 10.755 0.675 138 HD11 ILE 16 HD1 ILE 16 44.540 12.088 -3.445 139 HD12 ILE 16 HD2 ILE 16 43.486 13.269 -2.634 140 HD13 ILE 16 HD3 ILE 16 42.851 12.267 -3.962 141 H ILE 17 HN ILE 17 38.994 10.470 -0.642 142 HA ILE 17 HA ILE 17 39.372 8.069 -2.328 143 HB ILE 17 HB ILE 17 37.392 7.249 -0.745 144 HG12 ILE 17 HG12 ILE 17 37.265 8.445 1.380 145 HG13 ILE 17 HG11 ILE 17 38.485 9.619 0.844 146 HG21 ILE 17 HG21 ILE 17 40.171 7.913 0.327 147 HG22 ILE 17 HG22 ILE 17 39.727 6.460 -0.599 148 HG23 ILE 17 HG23 ILE 17 39.049 6.721 1.026 149 HD11 ILE 17 HD1 ILE 17 37.000 10.581 -0.765 150 HD12 ILE 17 HD2 ILE 17 36.020 10.360 0.701 151 HD13 ILE 17 HD3 ILE 17 35.865 9.213 -0.650 152 H GLY 18 HN GLY 18 37.901 10.867 -2.914 153 HA2 GLY 18 HA1 GLY 18 36.131 9.729 -4.893 154 HA3 GLY 18 HA2 GLY 18 35.213 10.364 -3.514 155 H GLY 19 HN GLY 19 37.288 12.447 -2.990 156 HA2 GLY 19 HA1 GLY 19 36.111 14.498 -4.653 157 HA3 GLY 19 HA2 GLY 19 37.444 14.704 -3.500 158 H ALA 20 HN ALA 20 39.376 13.030 -4.486 159 HA ALA 20 HA ALA 20 41.122 13.088 -6.009 160 HB1 ALA 20 HB1 ALA 20 39.568 11.797 -7.365 161 HB2 ALA 20 HB2 ALA 20 40.477 12.920 -8.405 162 HB3 ALA 20 HB3 ALA 20 38.796 13.288 -7.952 163 H LEU 21 HN LEU 21 40.379 15.586 -4.803 164 HA LEU 21 HA LEU 21 40.344 17.673 -6.819 165 HB2 LEU 21 HB2 LEU 21 41.343 17.964 -3.965 166 HB3 LEU 21 HB1 LEU 21 40.581 19.193 -5.000 167 HG LEU 21 HG LEU 21 39.223 16.688 -3.904 168 HD11 LEU 21 HD11 LEU 21 37.995 18.213 -2.476 169 HD12 LEU 21 HD12 LEU 21 38.729 19.627 -3.269 170 HD13 LEU 21 HD13 LEU 21 39.728 18.551 -2.262 171 HD21 LEU 21 HD21 LEU 21 37.149 17.953 -4.805 172 HD22 LEU 21 HD22 LEU 21 38.196 17.174 -6.011 173 HD23 LEU 21 HD23 LEU 21 38.299 18.931 -5.748 174 H ASP 22 HN ASP 22 42.702 15.472 -5.949 175 HA ASP 22 HA ASP 22 45.086 16.943 -5.743 176 HB2 ASP 22 HB2 ASP 22 44.958 14.488 -5.536 177 HB3 ASP 22 HB1 ASP 22 44.623 14.355 -7.279 178 H HIS 23 HN HIS 23 43.122 16.206 -8.603 179 HA HIS 23 HA HIS 23 44.298 18.421 -10.058 180 HB2 HIS 23 HB2 HIS 23 45.327 17.104 -11.885 181 HB3 HIS 23 HB1 HIS 23 46.157 16.834 -10.334 182 HD1 HIS 23 HD1 HIS 23 46.644 14.609 -12.194 183 HD2 HIS 23 HD2 HIS 23 43.107 14.772 -9.924 184 HE1 HIS 23 HE1 HIS 23 45.715 12.233 -12.060 185 H LEU 24 HN LEU 24 41.733 16.973 -9.222 186 HA LEU 24 HA LEU 24 40.271 17.600 -11.651 187 HB2 LEU 24 HB2 LEU 24 41.022 15.443 -12.425 188 HB3 LEU 24 HB1 LEU 24 40.642 14.682 -10.865 189 HG LEU 24 HG LEU 24 38.260 14.942 -11.228 190 HD11 LEU 24 HD11 LEU 24 38.045 17.099 -12.227 191 HD12 LEU 24 HD12 LEU 24 37.499 15.967 -13.485 192 HD13 LEU 24 HD13 LEU 24 39.129 16.676 -13.573 193 HD21 LEU 24 HD21 LEU 24 39.343 13.034 -12.369 194 HD22 LEU 24 HD22 LEU 24 39.629 14.047 -13.805 195 HD23 LEU 24 HD23 LEU 24 37.964 13.639 -13.319 Start of MODEL 47 1 H1 GLY 1 HT1 GLY 1 55.502 10.863 -3.830 2 H2 GLY 1 HT2 GLY 1 55.707 10.790 -5.517 3 H3 GLY 1 HT3 GLY 1 57.002 10.418 -4.482 4 HA2 GLY 1 HA1 GLY 1 54.563 8.887 -5.021 5 HA3 GLY 1 HA2 GLY 1 56.255 8.388 -5.214 6 H LYS 2 HN LYS 2 54.138 7.034 -3.752 7 HA LYS 2 HA LYS 2 53.777 6.049 -1.675 8 HB2 LYS 2 HB2 LYS 2 56.716 6.647 -1.167 9 HB3 LYS 2 HB1 LYS 2 55.741 5.314 -0.505 10 HG2 LYS 2 HG2 LYS 2 55.460 4.383 -2.787 11 HG3 LYS 2 HG1 LYS 2 56.440 5.713 -3.449 12 HD2 LYS 2 HD2 LYS 2 58.334 4.993 -1.956 13 HD3 LYS 2 HD1 LYS 2 57.355 3.589 -1.463 14 HE2 LYS 2 HE2 LYS 2 57.190 2.915 -3.877 15 HE3 LYS 2 HE1 LYS 2 58.289 4.253 -4.289 16 HZ1 LYS 2 HZ1 LYS 2 59.025 1.726 -3.546 17 HZ2 LYS 2 HZ2 LYS 2 59.288 2.644 -2.141 18 HZ3 LYS 2 HZ3 LYS 2 60.036 3.087 -3.601 19 H GLY 3 HN GLY 3 55.573 6.739 0.701 20 HA2 GLY 3 HA1 GLY 3 55.009 7.993 2.696 21 HA3 GLY 3 HA2 GLY 3 55.371 9.402 1.562 22 H ARG 4 HN ARG 4 53.770 6.869 2.467 23 HA ARG 4 HA ARG 4 52.564 7.803 4.068 24 HB2 ARG 4 HB2 ARG 4 50.876 8.679 1.789 25 HB3 ARG 4 HB1 ARG 4 49.916 7.895 3.060 26 HG2 ARG 4 HG2 ARG 4 50.194 9.617 4.576 27 HG3 ARG 4 HG1 ARG 4 51.854 9.972 4.066 28 HD2 ARG 4 HD2 ARG 4 50.332 11.835 3.504 29 HD3 ARG 4 HD1 ARG 4 50.972 11.091 2.020 30 HE ARG 4 HE ARG 4 48.452 9.886 2.791 31 HH11 ARG 4 HH11 ARG 4 48.140 12.960 2.814 32 HH12 ARG 4 HH12 ARG 4 47.566 13.229 1.203 33 HH21 ARG 4 HH21 ARG 4 48.484 10.084 0.067 34 HH22 ARG 4 HH22 ARG 4 47.762 11.601 -0.353 35 H TRP 5 HN TRP 5 52.782 5.650 1.688 36 HA TRP 5 HA TRP 5 50.785 3.732 1.817 37 HB2 TRP 5 HB2 TRP 5 52.887 3.532 0.476 38 HB3 TRP 5 HB1 TRP 5 53.766 3.117 1.968 39 HD1 TRP 5 HD1 TRP 5 53.691 0.674 2.735 40 HE1 TRP 5 HE1 TRP 5 52.461 -1.487 1.974 41 HE3 TRP 5 HE3 TRP 5 50.467 2.734 -0.667 42 HZ2 TRP 5 HZ2 TRP 5 50.364 -2.193 0.132 43 HZ3 TRP 5 HZ3 TRP 5 48.860 1.298 -1.914 44 HH2 TRP 5 HH2 TRP 5 48.805 -1.160 -1.519 45 H LEU 6 HN LEU 6 52.786 4.859 4.365 46 HA LEU 6 HA LEU 6 51.803 2.677 6.192 47 HB2 LEU 6 HB2 LEU 6 54.334 4.346 6.460 48 HB3 LEU 6 HB1 LEU 6 53.823 2.993 7.500 49 HG LEU 6 HG LEU 6 54.456 2.791 4.520 50 HD11 LEU 6 HD11 LEU 6 56.417 3.243 6.053 51 HD12 LEU 6 HD12 LEU 6 56.503 1.678 5.208 52 HD13 LEU 6 HD13 LEU 6 56.018 1.740 6.920 53 HD21 LEU 6 HD21 LEU 6 54.482 0.253 5.243 54 HD22 LEU 6 HD22 LEU 6 52.917 1.044 4.956 55 HD23 LEU 6 HD23 LEU 6 53.501 0.808 6.621 56 H GLU 7 HN GLU 7 51.591 6.039 5.370 57 HA GLU 7 HA GLU 7 50.689 6.644 8.200 58 HB2 GLU 7 HB2 GLU 7 51.670 8.595 6.083 59 HB3 GLU 7 HB1 GLU 7 51.231 8.968 7.763 60 HG2 GLU 7 HG2 GLU 7 53.066 7.586 8.597 61 HG3 GLU 7 HG1 GLU 7 53.461 7.057 6.944 62 H ARG 8 HN ARG 8 49.189 5.291 6.098 63 HA ARG 8 HA ARG 8 47.454 6.912 4.620 64 HB2 ARG 8 HB2 ARG 8 46.906 4.350 6.161 65 HB3 ARG 8 HB1 ARG 8 45.747 5.068 5.022 66 HG2 ARG 8 HG2 ARG 8 48.618 4.487 4.182 67 HG3 ARG 8 HG1 ARG 8 47.385 3.210 4.148 68 HD2 ARG 8 HD2 ARG 8 45.954 4.834 2.736 69 HD3 ARG 8 HD1 ARG 8 47.433 5.809 2.562 70 HE ARG 8 HE ARG 8 48.042 3.101 1.885 71 HH11 ARG 8 HH11 ARG 8 46.055 5.720 0.852 72 HH12 ARG 8 HH12 ARG 8 46.222 5.358 -0.834 73 HH21 ARG 8 HH21 ARG 8 48.336 2.658 -0.316 74 HH22 ARG 8 HH22 ARG 8 47.512 3.622 -1.495 75 H ILE 9 HN ILE 9 46.975 8.866 5.626 76 HA ILE 9 HA ILE 9 45.800 8.969 8.279 77 HB ILE 9 HB ILE 9 45.251 11.339 7.671 78 HG12 ILE 9 HG12 ILE 9 46.397 10.479 4.972 79 HG13 ILE 9 HG11 ILE 9 44.727 11.000 5.293 80 HG21 ILE 9 HG21 ILE 9 48.069 10.618 6.767 81 HG22 ILE 9 HG22 ILE 9 47.559 10.532 8.470 82 HG23 ILE 9 HG23 ILE 9 47.530 12.089 7.612 83 HD11 ILE 9 HD1 ILE 9 45.769 12.945 4.425 84 HD12 ILE 9 HD2 ILE 9 47.268 12.660 5.338 85 HD13 ILE 9 HD3 ILE 9 45.799 13.205 6.184 86 H GLY 10 HN GLY 10 44.561 8.715 4.980 87 HA2 GLY 10 HA1 GLY 10 42.412 8.393 4.193 88 HA3 GLY 10 HA2 GLY 10 42.072 7.640 5.764 89 H LYS 11 HN LYS 11 43.168 10.781 6.237 90 HA LYS 11 HA LYS 11 40.576 11.662 7.165 91 HB2 LYS 11 HB2 LYS 11 42.914 12.393 7.984 92 HB3 LYS 11 HB1 LYS 11 42.953 13.463 6.563 93 HG2 LYS 11 HG2 LYS 11 40.947 14.625 7.312 94 HG3 LYS 11 HG1 LYS 11 40.723 13.473 8.649 95 HD2 LYS 11 HD2 LYS 11 42.786 14.209 9.708 96 HD3 LYS 11 HD1 LYS 11 43.181 15.243 8.313 97 HE2 LYS 11 HE2 LYS 11 41.163 16.606 8.737 98 HE3 LYS 11 HE1 LYS 11 40.741 15.563 10.116 99 HZ1 LYS 11 HZ1 LYS 11 42.084 16.756 11.390 100 HZ2 LYS 11 HZ2 LYS 11 42.461 17.770 10.080 101 HZ3 LYS 11 HZ3 LYS 11 43.410 16.397 10.395 102 H ALA 12 HN ALA 12 41.872 11.382 4.084 103 HA ALA 12 HA ALA 12 41.009 12.022 2.039 104 HB1 ALA 12 HB1 ALA 12 38.781 12.075 3.446 105 HB2 ALA 12 HB2 ALA 12 38.832 12.841 1.840 106 HB3 ALA 12 HB3 ALA 12 38.955 13.840 3.307 107 H GLY 13 HN GLY 13 41.858 14.294 4.528 108 HA2 GLY 13 HA1 GLY 13 42.674 16.477 4.406 109 HA3 GLY 13 HA2 GLY 13 43.606 15.822 3.044 110 H PHE 14 HN PHE 14 40.155 16.602 3.570 111 HA PHE 14 HA PHE 14 38.740 18.028 2.427 112 HB2 PHE 14 HB2 PHE 14 40.827 19.608 2.602 113 HB3 PHE 14 HB1 PHE 14 41.072 19.222 0.884 114 HD1 PHE 14 HD1 PHE 14 39.685 20.203 -0.815 115 HD2 PHE 14 HD2 PHE 14 38.614 20.602 3.348 116 HE1 PHE 14 HE1 PHE 14 37.925 21.859 -1.425 117 HE2 PHE 14 HE2 PHE 14 36.856 22.258 2.737 118 HZ PHE 14 HZ PHE 14 36.471 22.839 0.345 119 H ILE 15 HN ILE 15 39.110 15.452 1.560 120 HA ILE 15 HA ILE 15 38.668 14.093 -0.257 121 HB ILE 15 HB ILE 15 37.975 16.597 -1.844 122 HG12 ILE 15 HG12 ILE 15 36.208 15.042 0.104 123 HG13 ILE 15 HG11 ILE 15 36.863 16.670 0.396 124 HG21 ILE 15 HG21 ILE 15 36.712 13.829 -1.892 125 HG22 ILE 15 HG22 ILE 15 38.090 14.273 -2.926 126 HG23 ILE 15 HG23 ILE 15 36.544 15.133 -3.091 127 HD11 ILE 15 HD1 ILE 15 35.708 17.318 -1.850 128 HD12 ILE 15 HD2 ILE 15 34.676 17.078 -0.421 129 HD13 ILE 15 HD3 ILE 15 34.798 15.801 -1.652 130 H ILE 16 HN ILE 16 41.044 13.815 -0.206 131 HA ILE 16 HA ILE 16 42.193 14.585 -2.868 132 HB ILE 16 HB ILE 16 43.625 14.739 -0.174 133 HG12 ILE 16 HG12 ILE 16 42.115 16.710 -0.979 134 HG13 ILE 16 HG11 ILE 16 43.769 17.083 -0.470 135 HG21 ILE 16 HG21 ILE 16 45.194 13.810 -1.729 136 HG22 ILE 16 HG22 ILE 16 45.576 15.541 -1.620 137 HG23 ILE 16 HG23 ILE 16 44.678 14.917 -3.024 138 HD11 ILE 16 HD1 ILE 16 43.040 16.596 -3.392 139 HD12 ILE 16 HD2 ILE 16 44.521 17.323 -2.737 140 HD13 ILE 16 HD3 ILE 16 42.981 18.201 -2.637 141 H ILE 17 HN ILE 17 43.311 12.814 0.050 142 HA ILE 17 HA ILE 17 44.290 10.642 -1.620 143 HB ILE 17 HB ILE 17 45.390 11.123 0.529 144 HG12 ILE 17 HG12 ILE 17 45.458 8.876 1.485 145 HG13 ILE 17 HG11 ILE 17 43.893 8.464 0.752 146 HG21 ILE 17 HG21 ILE 17 42.734 10.325 1.799 147 HG22 ILE 17 HG22 ILE 17 43.358 11.989 1.683 148 HG23 ILE 17 HG23 ILE 17 44.224 10.780 2.663 149 HD11 ILE 17 HD1 ILE 17 46.215 9.354 -0.997 150 HD12 ILE 17 HD2 ILE 17 44.802 8.359 -1.431 151 HD13 ILE 17 HD3 ILE 17 46.103 7.668 -0.435 152 H GLY 18 HN GLY 18 41.316 11.506 -0.069 153 HA2 GLY 18 HA1 GLY 18 40.200 8.794 -0.064 154 HA3 GLY 18 HA2 GLY 18 39.345 10.309 0.292 155 H GLY 19 HN GLY 19 39.509 11.838 -1.865 156 HA2 GLY 19 HA1 GLY 19 37.783 10.446 -3.745 157 HA3 GLY 19 HA2 GLY 19 38.362 12.118 -3.866 158 H ALA 20 HN ALA 20 41.155 11.627 -3.778 159 HA ALA 20 HA ALA 20 42.858 11.240 -5.306 160 HB1 ALA 20 HB1 ALA 20 43.029 8.985 -6.195 161 HB2 ALA 20 HB2 ALA 20 41.297 8.700 -5.892 162 HB3 ALA 20 HB3 ALA 20 42.419 8.911 -4.525 163 H LEU 21 HN LEU 21 41.372 13.083 -6.335 164 HA LEU 21 HA LEU 21 39.823 12.670 -8.622 165 HB2 LEU 21 HB2 LEU 21 41.801 14.851 -7.880 166 HB3 LEU 21 HB1 LEU 21 40.884 14.921 -9.403 167 HG LEU 21 HG LEU 21 38.758 14.731 -8.113 168 HD11 LEU 21 HD11 LEU 21 39.010 15.212 -5.575 169 HD12 LEU 21 HD12 LEU 21 40.700 14.688 -5.769 170 HD13 LEU 21 HD13 LEU 21 39.368 13.561 -6.126 171 HD21 LEU 21 HD21 LEU 21 39.679 16.951 -8.703 172 HD22 LEU 21 HD22 LEU 21 40.627 16.964 -7.197 173 HD23 LEU 21 HD23 LEU 21 38.849 17.011 -7.130 174 H ASP 22 HN ASP 22 40.165 11.535 -10.400 175 HA ASP 22 HA ASP 22 41.272 10.518 -12.165 176 HB2 ASP 22 HB2 ASP 22 41.586 12.877 -12.847 177 HB3 ASP 22 HB1 ASP 22 43.105 12.938 -11.919 178 H HIS 23 HN HIS 23 41.861 9.287 -9.861 179 HA HIS 23 HA HIS 23 43.448 7.964 -8.804 180 HB2 HIS 23 HB2 HIS 23 45.020 8.207 -11.394 181 HB3 HIS 23 HB1 HIS 23 45.044 6.868 -10.220 182 HD1 HIS 23 HD1 HIS 23 44.054 7.015 -13.419 183 HD2 HIS 23 HD2 HIS 23 41.707 6.556 -9.960 184 HE1 HIS 23 HE1 HIS 23 41.878 5.872 -14.120 185 H LEU 24 HN LEU 24 43.675 10.834 -8.448 186 HA LEU 24 HA LEU 24 46.316 10.871 -7.260 187 HB2 LEU 24 HB2 LEU 24 47.093 11.303 -9.513 188 HB3 LEU 24 HB1 LEU 24 45.832 12.528 -9.769 189 HG LEU 24 HG LEU 24 46.861 14.027 -8.156 190 HD11 LEU 24 HD11 LEU 24 48.598 11.610 -7.523 191 HD12 LEU 24 HD12 LEU 24 47.643 12.615 -6.407 192 HD13 LEU 24 HD13 LEU 24 49.132 13.261 -7.130 193 HD21 LEU 24 HD21 LEU 24 49.072 12.787 -9.851 194 HD22 LEU 24 HD22 LEU 24 48.974 14.468 -9.274 195 HD23 LEU 24 HD23 LEU 24 47.816 13.875 -10.490 Start of MODEL 48 1 H1 GLY 1 HT1 GLY 1 62.600 4.918 6.142 2 H2 GLY 1 HT2 GLY 1 63.525 4.752 7.558 3 H3 GLY 1 HT3 GLY 1 61.928 5.325 7.643 4 HA2 GLY 1 HA1 GLY 1 62.879 2.623 7.002 5 HA3 GLY 1 HA2 GLY 1 61.851 3.137 8.354 6 H LYS 2 HN LYS 2 61.683 1.319 5.779 7 HA LYS 2 HA LYS 2 59.544 2.378 4.194 8 HB2 LYS 2 HB2 LYS 2 60.292 -0.512 4.801 9 HB3 LYS 2 HB1 LYS 2 59.208 0.022 3.494 10 HG2 LYS 2 HG2 LYS 2 60.963 1.134 2.327 11 HG3 LYS 2 HG1 LYS 2 62.039 1.109 3.744 12 HD2 LYS 2 HD2 LYS 2 62.776 -0.588 2.142 13 HD3 LYS 2 HD1 LYS 2 62.123 -1.392 3.589 14 HE2 LYS 2 HE2 LYS 2 60.065 -1.930 2.479 15 HE3 LYS 2 HE1 LYS 2 60.431 -0.841 1.119 16 HZ1 LYS 2 HZ1 LYS 2 62.522 -2.369 0.923 17 HZ2 LYS 2 HZ2 LYS 2 61.037 -2.857 0.260 18 HZ3 LYS 2 HZ3 LYS 2 61.552 -3.487 1.751 19 H GLY 3 HN GLY 3 57.404 0.965 4.060 20 HA2 GLY 3 HA1 GLY 3 55.803 -0.245 5.714 21 HA3 GLY 3 HA2 GLY 3 56.135 1.149 6.843 22 H ARG 4 HN ARG 4 56.465 2.943 6.073 23 HA ARG 4 HA ARG 4 54.149 3.161 6.759 24 HB2 ARG 4 HB2 ARG 4 55.762 5.534 5.707 25 HB3 ARG 4 HB1 ARG 4 54.295 5.695 6.706 26 HG2 ARG 4 HG2 ARG 4 55.343 4.343 8.489 27 HG3 ARG 4 HG1 ARG 4 56.807 4.150 7.495 28 HD2 ARG 4 HD2 ARG 4 57.291 6.506 7.594 29 HD3 ARG 4 HD1 ARG 4 55.698 6.870 8.298 30 HE ARG 4 HE ARG 4 56.619 6.342 10.400 31 HH11 ARG 4 HH11 ARG 4 57.260 3.488 9.432 32 HH12 ARG 4 HH12 ARG 4 58.954 3.407 9.786 33 HH21 ARG 4 HH21 ARG 4 59.304 6.834 10.186 34 HH22 ARG 4 HH22 ARG 4 60.111 5.301 10.212 35 H TRP 5 HN TRP 5 55.088 2.801 3.742 36 HA TRP 5 HA TRP 5 53.729 4.355 1.888 37 HB2 TRP 5 HB2 TRP 5 55.077 2.279 1.400 38 HB3 TRP 5 HB1 TRP 5 53.649 1.313 1.843 39 HD1 TRP 5 HD1 TRP 5 52.085 0.774 -0.082 40 HE1 TRP 5 HE1 TRP 5 51.585 1.731 -2.448 41 HE3 TRP 5 HE3 TRP 5 55.185 4.847 0.026 42 HZ2 TRP 5 HZ2 TRP 5 52.435 3.970 -4.047 43 HZ3 TRP 5 HZ3 TRP 5 55.323 6.380 -1.932 44 HH2 TRP 5 HH2 TRP 5 53.954 5.946 -3.967 45 H LEU 6 HN LEU 6 52.316 2.401 4.372 46 HA LEU 6 HA LEU 6 49.566 2.742 3.191 47 HB2 LEU 6 HB2 LEU 6 50.354 0.955 5.520 48 HB3 LEU 6 HB1 LEU 6 48.872 0.903 4.537 49 HG LEU 6 HG LEU 6 51.696 0.288 3.554 50 HD11 LEU 6 HD11 LEU 6 49.265 -1.499 4.015 51 HD12 LEU 6 HD12 LEU 6 50.727 -1.454 5.029 52 HD13 LEU 6 HD13 LEU 6 50.828 -2.022 3.345 53 HD21 LEU 6 HD21 LEU 6 50.319 -0.556 1.518 54 HD22 LEU 6 HD22 LEU 6 50.511 1.202 1.690 55 HD23 LEU 6 HD23 LEU 6 48.984 0.424 2.171 56 H GLU 7 HN GLU 7 51.734 3.623 5.842 57 HA GLU 7 HA GLU 7 49.472 4.700 7.456 58 HB2 GLU 7 HB2 GLU 7 52.488 4.723 7.884 59 HB3 GLU 7 HB1 GLU 7 51.280 5.334 9.039 60 HG2 GLU 7 HG2 GLU 7 51.271 2.486 7.956 61 HG3 GLU 7 HG1 GLU 7 52.075 2.952 9.474 62 H ARG 8 HN ARG 8 49.920 5.766 4.783 63 HA ARG 8 HA ARG 8 50.228 8.631 5.553 64 HB2 ARG 8 HB2 ARG 8 51.884 7.210 3.430 65 HB3 ARG 8 HB1 ARG 8 51.645 8.975 3.449 66 HG2 ARG 8 HG2 ARG 8 52.556 9.041 5.780 67 HG3 ARG 8 HG1 ARG 8 52.877 7.293 5.677 68 HD2 ARG 8 HD2 ARG 8 54.454 7.600 3.881 69 HD3 ARG 8 HD1 ARG 8 53.985 9.306 3.678 70 HE ARG 8 HE ARG 8 55.843 8.265 5.672 71 HH11 ARG 8 HH11 ARG 8 54.464 9.445 7.721 72 HH12 ARG 8 HH12 ARG 8 54.699 11.156 7.584 73 HH21 ARG 8 HH21 ARG 8 55.739 11.016 4.280 74 HH22 ARG 8 HH22 ARG 8 55.421 12.044 5.636 75 H ILE 9 HN ILE 9 47.841 8.116 5.272 76 HA ILE 9 HA ILE 9 46.774 7.529 2.688 77 HB ILE 9 HB ILE 9 45.474 7.490 4.846 78 HG12 ILE 9 HG12 ILE 9 44.339 9.255 2.631 79 HG13 ILE 9 HG11 ILE 9 44.371 7.476 2.619 80 HG21 ILE 9 HG21 ILE 9 46.439 9.839 5.517 81 HG22 ILE 9 HG22 ILE 9 44.747 9.467 5.918 82 HG23 ILE 9 HG23 ILE 9 45.121 10.491 4.513 83 HD11 ILE 9 HD1 ILE 9 42.842 9.305 4.512 84 HD12 ILE 9 HD2 ILE 9 43.078 7.569 4.832 85 HD13 ILE 9 HD3 ILE 9 42.181 8.096 3.387 86 H GLY 10 HN GLY 10 46.861 8.626 0.860 87 HA2 GLY 10 HA1 GLY 10 47.906 11.320 0.775 88 HA3 GLY 10 HA2 GLY 10 47.241 10.397 -0.589 89 H LYS 11 HN LYS 11 44.688 9.889 0.772 90 HA LYS 11 HA LYS 11 43.312 12.273 -0.123 91 HB2 LYS 11 HB2 LYS 11 42.357 9.890 1.513 92 HB3 LYS 11 HB1 LYS 11 41.297 11.144 0.826 93 HG2 LYS 11 HG2 LYS 11 41.926 10.558 -1.430 94 HG3 LYS 11 HG1 LYS 11 43.234 9.497 -0.852 95 HD2 LYS 11 HD2 LYS 11 41.566 8.011 0.217 96 HD3 LYS 11 HD1 LYS 11 40.254 9.068 -0.358 97 HE2 LYS 11 HE2 LYS 11 41.012 8.664 -2.712 98 HE3 LYS 11 HE1 LYS 11 42.230 7.522 -2.092 99 HZ1 LYS 11 HZ1 LYS 11 39.275 7.300 -1.989 100 HZ2 LYS 11 HZ2 LYS 11 40.276 6.378 -0.972 101 HZ3 LYS 11 HZ3 LYS 11 40.393 6.215 -2.660 102 H ALA 12 HN ALA 12 43.954 14.076 1.007 103 HA ALA 12 HA ALA 12 44.369 14.258 3.790 104 HB1 ALA 12 HB1 ALA 12 44.809 15.995 1.962 105 HB2 ALA 12 HB2 ALA 12 44.199 16.610 3.517 106 HB3 ALA 12 HB3 ALA 12 43.096 16.452 2.127 107 H GLY 13 HN GLY 13 41.518 13.462 2.166 108 HA2 GLY 13 HA1 GLY 13 39.371 13.121 2.966 109 HA3 GLY 13 HA2 GLY 13 39.988 13.425 4.604 110 H PHE 14 HN PHE 14 40.959 15.979 2.783 111 HA PHE 14 HA PHE 14 38.886 17.713 3.945 112 HB2 PHE 14 HB2 PHE 14 41.559 18.042 3.434 113 HB3 PHE 14 HB1 PHE 14 40.889 18.827 1.991 114 HD1 PHE 14 HD1 PHE 14 38.292 19.886 3.251 115 HD2 PHE 14 HD2 PHE 14 42.385 19.950 4.624 116 HE1 PHE 14 HE1 PHE 14 37.808 21.919 4.599 117 HE2 PHE 14 HE2 PHE 14 41.896 21.985 5.973 118 HZ PHE 14 HZ PHE 14 39.625 23.005 5.910 119 H ILE 15 HN ILE 15 40.241 17.505 0.607 120 HA ILE 15 HA ILE 15 37.547 17.234 -0.536 121 HB ILE 15 HB ILE 15 37.770 19.320 -1.965 122 HG12 ILE 15 HG12 ILE 15 39.898 20.005 0.116 123 HG13 ILE 15 HG11 ILE 15 40.207 19.647 -1.599 124 HG21 ILE 15 HG21 ILE 15 36.763 20.759 -0.353 125 HG22 ILE 15 HG22 ILE 15 37.661 20.023 0.991 126 HG23 ILE 15 HG23 ILE 15 36.358 19.117 0.189 127 HD11 ILE 15 HD1 ILE 15 38.756 22.031 -0.399 128 HD12 ILE 15 HD2 ILE 15 38.547 21.580 -2.110 129 HD13 ILE 15 HD3 ILE 15 40.157 22.021 -1.493 130 H ILE 16 HN ILE 16 39.778 15.587 -0.620 131 HA ILE 16 HA ILE 16 41.127 16.053 -3.220 132 HB ILE 16 HB ILE 16 41.298 13.960 -1.020 133 HG12 ILE 16 HG12 ILE 16 43.635 14.677 -0.934 134 HG13 ILE 16 HG11 ILE 16 43.425 15.662 -2.399 135 HG21 ILE 16 HG21 ILE 16 41.437 12.554 -2.959 136 HG22 ILE 16 HG22 ILE 16 43.126 12.878 -2.502 137 HG23 ILE 16 HG23 ILE 16 42.385 13.761 -3.860 138 HD11 ILE 16 HD1 ILE 16 41.785 16.114 0.124 139 HD12 ILE 16 HD2 ILE 16 41.971 17.202 -1.274 140 HD13 ILE 16 HD3 ILE 16 43.339 16.930 -0.171 141 H ILE 17 HN ILE 17 38.895 13.675 -1.725 142 HA ILE 17 HA ILE 17 38.409 12.340 -4.274 143 HB ILE 17 HB ILE 17 36.859 10.948 -3.121 144 HG12 ILE 17 HG12 ILE 17 35.431 12.512 -1.974 145 HG13 ILE 17 HG11 ILE 17 36.131 11.471 -0.726 146 HG21 ILE 17 HG21 ILE 17 38.167 10.381 -0.967 147 HG22 ILE 17 HG22 ILE 17 39.236 11.733 -1.396 148 HG23 ILE 17 HG23 ILE 17 39.064 10.354 -2.498 149 HD11 ILE 17 HD1 ILE 17 36.216 13.752 0.070 150 HD12 ILE 17 HD2 ILE 17 36.967 14.316 -1.436 151 HD13 ILE 17 HD3 ILE 17 37.878 13.270 -0.321 152 H GLY 18 HN GLY 18 37.824 15.337 -3.813 153 HA2 GLY 18 HA1 GLY 18 35.268 15.290 -5.313 154 HA3 GLY 18 HA2 GLY 18 35.245 16.129 -3.749 155 H GLY 19 HN GLY 19 37.421 17.555 -3.522 156 HA2 GLY 19 HA1 GLY 19 37.047 19.737 -5.282 157 HA3 GLY 19 HA2 GLY 19 38.468 19.486 -4.250 158 H ALA 20 HN ALA 20 39.194 16.937 -5.497 159 HA ALA 20 HA ALA 20 40.860 18.004 -7.600 160 HB1 ALA 20 HB1 ALA 20 41.373 16.029 -6.102 161 HB2 ALA 20 HB2 ALA 20 41.675 15.764 -7.836 162 HB3 ALA 20 HB3 ALA 20 40.217 15.087 -7.071 163 H LEU 21 HN LEU 21 38.410 15.378 -7.792 164 HA LEU 21 HA LEU 21 36.933 14.839 -9.478 165 HB2 LEU 21 HB2 LEU 21 36.536 17.459 -9.170 166 HB3 LEU 21 HB1 LEU 21 37.268 17.555 -10.777 167 HG LEU 21 HG LEU 21 34.881 17.433 -11.075 168 HD11 LEU 21 HD11 LEU 21 36.318 16.063 -12.614 169 HD12 LEU 21 HD12 LEU 21 34.649 15.470 -12.472 170 HD13 LEU 21 HD13 LEU 21 35.962 14.634 -11.616 171 HD21 LEU 21 HD21 LEU 21 34.612 16.229 -8.705 172 HD22 LEU 21 HD22 LEU 21 34.639 14.744 -9.681 173 HD23 LEU 21 HD23 LEU 21 33.402 15.980 -9.980 174 H ASP 22 HN ASP 22 38.811 13.454 -10.062 175 HA ASP 22 HA ASP 22 39.353 13.754 -12.930 176 HB2 ASP 22 HB2 ASP 22 41.586 14.037 -10.882 177 HB3 ASP 22 HB1 ASP 22 41.878 13.561 -12.572 178 H HIS 23 HN HIS 23 38.021 11.894 -11.097 179 HA HIS 23 HA HIS 23 37.899 9.606 -10.729 180 HB2 HIS 23 HB2 HIS 23 38.112 9.649 -13.242 181 HB3 HIS 23 HB1 HIS 23 39.864 9.406 -13.045 182 HD1 HIS 23 HD1 HIS 23 40.696 7.059 -12.612 183 HD2 HIS 23 HD2 HIS 23 36.537 7.415 -12.104 184 HE1 HIS 23 HE1 HIS 23 39.761 4.700 -12.306 185 H LEU 24 HN LEU 24 39.761 11.055 -9.157 186 HA LEU 24 HA LEU 24 41.430 8.822 -8.260 187 HB2 LEU 24 HB2 LEU 24 42.932 9.608 -9.973 188 HB3 LEU 24 HB1 LEU 24 42.679 11.302 -9.505 189 HG LEU 24 HG LEU 24 43.860 10.985 -7.413 190 HD11 LEU 24 HD11 LEU 24 43.721 8.036 -8.152 191 HD12 LEU 24 HD12 LEU 24 43.159 8.829 -6.662 192 HD13 LEU 24 HD13 LEU 24 44.900 8.650 -6.970 193 HD21 LEU 24 HD21 LEU 24 45.356 9.515 -9.628 194 HD22 LEU 24 HD22 LEU 24 46.085 10.349 -8.235 195 HD23 LEU 24 HD23 LEU 24 45.227 11.284 -9.484 Start of MODEL 49 1 H1 GLY 1 HT1 GLY 1 61.981 -1.331 1.574 2 H2 GLY 1 HT2 GLY 1 61.820 0.355 1.430 3 H3 GLY 1 HT3 GLY 1 61.875 -0.621 0.039 4 HA2 GLY 1 HA1 GLY 1 59.677 -0.187 0.198 5 HA3 GLY 1 HA2 GLY 1 59.843 -1.755 1.014 6 H LYS 2 HN LYS 2 61.062 -0.845 3.414 7 HA LYS 2 HA LYS 2 58.817 -0.325 5.003 8 HB2 LYS 2 HB2 LYS 2 60.316 0.104 6.797 9 HB3 LYS 2 HB1 LYS 2 61.164 -1.037 5.733 10 HG2 LYS 2 HG2 LYS 2 61.611 1.976 5.948 11 HG3 LYS 2 HG1 LYS 2 62.744 0.676 6.381 12 HD2 LYS 2 HD2 LYS 2 62.621 -0.061 3.919 13 HD3 LYS 2 HD1 LYS 2 61.806 1.489 3.601 14 HE2 LYS 2 HE2 LYS 2 64.587 1.094 4.782 15 HE3 LYS 2 HE1 LYS 2 64.184 1.787 3.192 16 HZ1 LYS 2 HZ1 LYS 2 63.500 2.925 5.858 17 HZ2 LYS 2 HZ2 LYS 2 62.957 3.553 4.376 18 HZ3 LYS 2 HZ3 LYS 2 64.615 3.549 4.743 19 H GLY 3 HN GLY 3 58.875 1.747 6.581 20 HA2 GLY 3 HA1 GLY 3 59.187 4.271 6.454 21 HA3 GLY 3 HA2 GLY 3 58.632 4.183 4.721 22 H ARG 4 HN ARG 4 57.233 2.874 4.226 23 HA ARG 4 HA ARG 4 55.918 4.904 4.378 24 HB2 ARG 4 HB2 ARG 4 54.713 2.282 3.371 25 HB3 ARG 4 HB1 ARG 4 54.051 3.894 3.002 26 HG2 ARG 4 HG2 ARG 4 56.189 4.568 1.984 27 HG3 ARG 4 HG1 ARG 4 56.906 2.993 2.404 28 HD2 ARG 4 HD2 ARG 4 56.224 2.881 0.084 29 HD3 ARG 4 HD1 ARG 4 55.080 1.895 1.025 30 HE ARG 4 HE ARG 4 53.980 4.495 0.879 31 HH11 ARG 4 HH11 ARG 4 55.028 4.612 -1.858 32 HH12 ARG 4 HH12 ARG 4 53.810 3.802 -2.786 33 HH21 ARG 4 HH21 ARG 4 52.346 2.286 -0.032 34 HH22 ARG 4 HH22 ARG 4 52.290 2.485 -1.752 35 H TRP 5 HN TRP 5 55.884 2.579 6.560 36 HA TRP 5 HA TRP 5 53.361 2.039 7.617 37 HB2 TRP 5 HB2 TRP 5 55.499 1.288 8.634 38 HB3 TRP 5 HB1 TRP 5 55.770 2.936 9.250 39 HD1 TRP 5 HD1 TRP 5 53.043 0.182 9.449 40 HE1 TRP 5 HE1 TRP 5 51.939 0.258 11.803 41 HE3 TRP 5 HE3 TRP 5 55.542 4.211 11.384 42 HZ2 TRP 5 HZ2 TRP 5 52.136 1.866 14.182 43 HZ3 TRP 5 HZ3 TRP 5 55.066 4.998 13.698 44 HH2 TRP 5 HH2 TRP 5 53.369 3.831 15.097 45 H LEU 6 HN LEU 6 54.827 5.127 7.227 46 HA LEU 6 HA LEU 6 52.708 6.420 8.931 47 HB2 LEU 6 HB2 LEU 6 54.976 6.893 9.726 48 HB3 LEU 6 HB1 LEU 6 55.474 7.398 8.098 49 HG LEU 6 HG LEU 6 53.913 9.302 8.174 50 HD11 LEU 6 HD11 LEU 6 53.065 7.998 10.789 51 HD12 LEU 6 HD12 LEU 6 52.047 8.598 9.457 52 HD13 LEU 6 HD13 LEU 6 52.855 9.749 10.541 53 HD21 LEU 6 HD21 LEU 6 55.523 9.118 10.757 54 HD22 LEU 6 HD22 LEU 6 55.050 10.603 9.895 55 HD23 LEU 6 HD23 LEU 6 56.219 9.480 9.160 56 H GLU 7 HN GLU 7 54.029 5.984 5.698 57 HA GLU 7 HA GLU 7 52.654 8.423 4.680 58 HB2 GLU 7 HB2 GLU 7 54.208 6.234 3.246 59 HB3 GLU 7 HB1 GLU 7 53.602 7.735 2.509 60 HG2 GLU 7 HG2 GLU 7 55.475 7.689 4.913 61 HG3 GLU 7 HG1 GLU 7 56.050 7.792 3.231 62 H ARG 8 HN ARG 8 51.320 5.904 5.886 63 HA ARG 8 HA ARG 8 49.861 4.761 3.611 64 HB2 ARG 8 HB2 ARG 8 50.409 3.607 5.848 65 HB3 ARG 8 HB1 ARG 8 49.097 4.582 6.549 66 HG2 ARG 8 HG2 ARG 8 47.538 3.662 4.809 67 HG3 ARG 8 HG1 ARG 8 48.857 2.617 4.227 68 HD2 ARG 8 HD2 ARG 8 49.038 1.634 6.528 69 HD3 ARG 8 HD1 ARG 8 47.630 2.607 7.019 70 HE ARG 8 HE ARG 8 46.866 1.152 4.711 71 HH11 ARG 8 HH11 ARG 8 47.126 1.002 8.097 72 HH12 ARG 8 HH12 ARG 8 46.596 -0.641 8.221 73 HH21 ARG 8 HH21 ARG 8 46.516 -1.157 4.794 74 HH22 ARG 8 HH22 ARG 8 46.250 -1.864 6.353 75 H ILE 9 HN ILE 9 49.529 7.329 3.165 76 HA ILE 9 HA ILE 9 47.246 8.479 4.571 77 HB ILE 9 HB ILE 9 47.290 10.147 2.662 78 HG12 ILE 9 HG12 ILE 9 49.984 9.262 1.716 79 HG13 ILE 9 HG11 ILE 9 48.716 8.091 1.305 80 HG21 ILE 9 HG21 ILE 9 48.523 10.494 4.770 81 HG22 ILE 9 HG22 ILE 9 49.437 11.153 3.392 82 HG23 ILE 9 HG23 ILE 9 49.917 9.600 4.118 83 HD11 ILE 9 HD1 ILE 9 49.036 9.815 -0.467 84 HD12 ILE 9 HD2 ILE 9 48.577 11.077 0.702 85 HD13 ILE 9 HD3 ILE 9 47.393 9.839 0.215 86 H GLY 10 HN GLY 10 45.699 6.759 4.404 87 HA2 GLY 10 HA1 GLY 10 44.763 5.862 1.810 88 HA3 GLY 10 HA2 GLY 10 43.968 5.600 3.375 89 H LYS 11 HN LYS 11 44.071 8.571 3.900 90 HA LYS 11 HA LYS 11 41.475 9.165 2.673 91 HB2 LYS 11 HB2 LYS 11 43.216 11.098 4.241 92 HB3 LYS 11 HB1 LYS 11 41.444 11.071 4.089 93 HG2 LYS 11 HG2 LYS 11 43.169 8.999 5.516 94 HG3 LYS 11 HG1 LYS 11 42.101 10.196 6.285 95 HD2 LYS 11 HD2 LYS 11 40.191 9.131 4.890 96 HD3 LYS 11 HD1 LYS 11 41.327 7.795 4.584 97 HE2 LYS 11 HE2 LYS 11 41.582 7.421 7.003 98 HE3 LYS 11 HE1 LYS 11 40.502 8.795 7.344 99 HZ1 LYS 11 HZ1 LYS 11 38.726 7.533 6.978 100 HZ2 LYS 11 HZ2 LYS 11 39.756 6.181 6.961 101 HZ3 LYS 11 HZ3 LYS 11 39.330 6.948 5.505 102 H ALA 12 HN ALA 12 41.417 9.684 0.576 103 HA ALA 12 HA ALA 12 43.642 11.108 -0.703 104 HB1 ALA 12 HB1 ALA 12 42.347 9.418 -1.921 105 HB2 ALA 12 HB2 ALA 12 42.183 11.012 -2.698 106 HB3 ALA 12 HB3 ALA 12 40.862 10.371 -1.691 107 H GLY 13 HN GLY 13 43.053 12.722 1.303 108 HA2 GLY 13 HA1 GLY 13 42.334 14.853 1.857 109 HA3 GLY 13 HA2 GLY 13 42.425 15.191 0.117 110 H PHE 14 HN PHE 14 40.330 13.008 2.022 111 HA PHE 14 HA PHE 14 38.028 12.859 2.140 112 HB2 PHE 14 HB2 PHE 14 38.365 15.255 3.000 113 HB3 PHE 14 HB1 PHE 14 37.917 15.801 1.367 114 HD1 PHE 14 HD1 PHE 14 35.623 16.021 0.786 115 HD2 PHE 14 HD2 PHE 14 36.734 13.599 4.183 116 HE1 PHE 14 HE1 PHE 14 33.219 15.730 1.366 117 HE2 PHE 14 HE2 PHE 14 34.329 13.309 4.762 118 HZ PHE 14 HZ PHE 14 32.574 14.409 3.378 119 H ILE 15 HN ILE 15 39.183 12.006 -0.193 120 HA ILE 15 HA ILE 15 38.636 11.433 -2.360 121 HB ILE 15 HB ILE 15 35.890 12.654 -1.880 122 HG12 ILE 15 HG12 ILE 15 36.983 9.927 -1.050 123 HG13 ILE 15 HG11 ILE 15 36.429 11.218 0.040 124 HG21 ILE 15 HG21 ILE 15 35.152 11.085 -3.536 125 HG22 ILE 15 HG22 ILE 15 36.689 10.187 -3.475 126 HG23 ILE 15 HG23 ILE 15 36.634 11.814 -4.195 127 HD11 ILE 15 HD1 ILE 15 34.159 11.043 -1.229 128 HD12 ILE 15 HD2 ILE 15 34.574 9.743 -0.089 129 HD13 ILE 15 HD3 ILE 15 34.782 9.489 -1.837 130 H ILE 16 HN ILE 16 40.210 13.229 -2.737 131 HA ILE 16 HA ILE 16 38.939 15.232 -4.575 132 HB ILE 16 HB ILE 16 41.087 15.790 -2.477 133 HG12 ILE 16 HG12 ILE 16 38.544 15.861 -1.873 134 HG13 ILE 16 HG11 ILE 16 39.554 17.246 -1.423 135 HG21 ILE 16 HG21 ILE 16 41.806 16.935 -4.456 136 HG22 ILE 16 HG22 ILE 16 41.001 18.157 -3.447 137 HG23 ILE 16 HG23 ILE 16 40.149 17.456 -4.845 138 HD11 ILE 16 HD1 ILE 16 37.946 17.188 -4.014 139 HD12 ILE 16 HD2 ILE 16 38.702 18.585 -3.223 140 HD13 ILE 16 HD3 ILE 16 37.289 17.802 -2.484 141 H ILE 17 HN ILE 17 42.194 14.249 -3.380 142 HA ILE 17 HA ILE 17 43.319 14.485 -6.045 143 HB ILE 17 HB ILE 17 44.759 14.755 -4.064 144 HG12 ILE 17 HG12 ILE 17 46.612 13.285 -4.682 145 HG13 ILE 17 HG11 ILE 17 45.510 12.160 -5.501 146 HG21 ILE 17 HG21 ILE 17 43.428 13.119 -2.657 147 HG22 ILE 17 HG22 ILE 17 45.194 12.948 -2.519 148 HG23 ILE 17 HG23 ILE 17 44.264 11.802 -3.514 149 HD11 ILE 17 HD1 ILE 17 46.847 13.906 -6.943 150 HD12 ILE 17 HD2 ILE 17 45.635 15.072 -6.360 151 HD13 ILE 17 HD3 ILE 17 45.125 13.647 -7.299 152 H GLY 18 HN GLY 18 41.724 12.001 -4.188 153 HA2 GLY 18 HA1 GLY 18 42.601 9.805 -5.942 154 HA3 GLY 18 HA2 GLY 18 41.436 9.714 -4.605 155 H GLY 19 HN GLY 19 39.448 11.350 -5.143 156 HA2 GLY 19 HA1 GLY 19 38.073 10.030 -7.305 157 HA3 GLY 19 HA2 GLY 19 37.487 11.424 -6.376 158 H ALA 20 HN ALA 20 39.744 13.133 -6.965 159 HA ALA 20 HA ALA 20 40.322 14.720 -8.548 160 HB1 ALA 20 HB1 ALA 20 40.941 13.955 -10.721 161 HB2 ALA 20 HB2 ALA 20 39.835 12.563 -10.622 162 HB3 ALA 20 HB3 ALA 20 41.290 12.621 -9.598 163 H LEU 21 HN LEU 21 37.741 14.923 -7.687 164 HA LEU 21 HA LEU 21 35.861 14.978 -9.904 165 HB2 LEU 21 HB2 LEU 21 35.061 14.713 -7.619 166 HB3 LEU 21 HB1 LEU 21 35.818 16.243 -7.132 167 HG LEU 21 HG LEU 21 34.296 17.513 -8.573 168 HD11 LEU 21 HD11 LEU 21 33.919 16.151 -10.483 169 HD12 LEU 21 HD12 LEU 21 32.351 16.128 -9.650 170 HD13 LEU 21 HD13 LEU 21 33.455 14.740 -9.503 171 HD21 LEU 21 HD21 LEU 21 32.188 17.031 -7.410 172 HD22 LEU 21 HD22 LEU 21 33.552 16.839 -6.282 173 HD23 LEU 21 HD23 LEU 21 32.768 15.403 -6.985 174 H ASP 22 HN ASP 22 38.071 17.273 -8.361 175 HA ASP 22 HA ASP 22 37.020 19.577 -9.846 176 HB2 ASP 22 HB2 ASP 22 38.078 19.799 -7.608 177 HB3 ASP 22 HB1 ASP 22 39.621 19.242 -8.299 178 H HIS 23 HN HIS 23 37.565 17.509 -11.635 179 HA HIS 23 HA HIS 23 38.763 17.040 -13.570 180 HB2 HIS 23 HB2 HIS 23 39.417 20.008 -13.371 181 HB3 HIS 23 HB1 HIS 23 39.567 19.002 -14.831 182 HD1 HIS 23 HD1 HIS 23 37.256 21.229 -13.160 183 HD2 HIS 23 HD2 HIS 23 36.887 17.771 -15.525 184 HE1 HIS 23 HE1 HIS 23 34.839 21.122 -13.980 185 H LEU 24 HN LEU 24 40.177 17.177 -10.802 186 HA LEU 24 HA LEU 24 42.775 16.384 -11.824 187 HB2 LEU 24 HB2 LEU 24 42.893 18.930 -11.886 188 HB3 LEU 24 HB1 LEU 24 42.716 18.898 -10.120 189 HG LEU 24 HG LEU 24 44.756 17.231 -10.169 190 HD11 LEU 24 HD11 LEU 24 46.330 17.805 -12.093 191 HD12 LEU 24 HD12 LEU 24 44.940 18.539 -12.922 192 HD13 LEU 24 HD13 LEU 24 44.937 16.801 -12.544 193 HD21 LEU 24 HD21 LEU 24 45.110 20.179 -10.880 194 HD22 LEU 24 HD22 LEU 24 46.338 19.141 -10.118 195 HD23 LEU 24 HD23 LEU 24 44.835 19.528 -9.246 Start of MODEL 50 1 H1 GLY 1 HT1 GLY 1 60.757 -1.661 4.216 2 H2 GLY 1 HT2 GLY 1 60.151 -2.546 5.534 3 H3 GLY 1 HT3 GLY 1 59.462 -1.048 5.122 4 HA2 GLY 1 HA1 GLY 1 59.484 -2.884 2.957 5 HA3 GLY 1 HA2 GLY 1 58.587 -3.479 4.367 6 H LYS 2 HN LYS 2 57.212 -1.639 5.446 7 HA LYS 2 HA LYS 2 55.930 0.058 3.326 8 HB2 LYS 2 HB2 LYS 2 54.329 -1.655 5.263 9 HB3 LYS 2 HB1 LYS 2 53.722 -0.683 3.905 10 HG2 LYS 2 HG2 LYS 2 53.744 -2.763 2.857 11 HG3 LYS 2 HG1 LYS 2 55.405 -2.254 2.492 12 HD2 LYS 2 HD2 LYS 2 55.871 -4.358 3.380 13 HD3 LYS 2 HD1 LYS 2 55.886 -3.432 4.896 14 HE2 LYS 2 HE2 LYS 2 53.609 -5.108 3.758 15 HE3 LYS 2 HE1 LYS 2 54.506 -5.373 5.272 16 HZ1 LYS 2 HZ1 LYS 2 52.430 -4.359 5.793 17 HZ2 LYS 2 HZ2 LYS 2 52.656 -3.129 4.644 18 HZ3 LYS 2 HZ3 LYS 2 53.635 -3.190 6.031 19 H GLY 3 HN GLY 3 53.698 0.531 5.271 20 HA2 GLY 3 HA1 GLY 3 53.567 1.607 7.535 21 HA3 GLY 3 HA2 GLY 3 55.225 2.314 7.260 22 H ARG 4 HN ARG 4 55.708 2.934 5.440 23 HA ARG 4 HA ARG 4 55.171 5.041 6.512 24 HB2 ARG 4 HB2 ARG 4 56.341 4.938 3.691 25 HB3 ARG 4 HB1 ARG 4 56.441 6.351 4.771 26 HG2 ARG 4 HG2 ARG 4 57.678 5.092 6.429 27 HG3 ARG 4 HG1 ARG 4 57.407 3.568 5.554 28 HD2 ARG 4 HD2 ARG 4 59.693 4.470 5.149 29 HD3 ARG 4 HD1 ARG 4 58.735 4.397 3.651 30 HE ARG 4 HE ARG 4 58.391 6.981 4.823 31 HH11 ARG 4 HH11 ARG 4 60.659 4.960 3.196 32 HH12 ARG 4 HH12 ARG 4 61.604 6.280 2.590 33 HH21 ARG 4 HH21 ARG 4 59.651 8.715 4.102 34 HH22 ARG 4 HH22 ARG 4 61.033 8.407 3.103 35 H TRP 5 HN TRP 5 53.283 3.575 4.410 36 HA TRP 5 HA TRP 5 52.026 5.308 2.614 37 HB2 TRP 5 HB2 TRP 5 51.359 2.950 2.981 38 HB3 TRP 5 HB1 TRP 5 50.623 3.414 4.534 39 HD1 TRP 5 HD1 TRP 5 50.388 4.680 0.864 40 HE1 TRP 5 HE1 TRP 5 47.899 5.181 0.308 41 HE3 TRP 5 HE3 TRP 5 48.297 3.479 5.380 42 HZ2 TRP 5 HZ2 TRP 5 45.362 5.066 1.666 43 HZ3 TRP 5 HZ3 TRP 5 45.839 3.683 5.727 44 HH2 TRP 5 HH2 TRP 5 44.371 4.473 3.877 45 H LEU 6 HN LEU 6 52.176 5.552 6.052 46 HA LEU 6 HA LEU 6 50.019 7.636 6.111 47 HB2 LEU 6 HB2 LEU 6 49.739 5.831 7.732 48 HB3 LEU 6 HB1 LEU 6 51.400 6.054 8.320 49 HG LEU 6 HG LEU 6 50.842 8.291 9.172 50 HD11 LEU 6 HD11 LEU 6 48.202 7.756 7.759 51 HD12 LEU 6 HD12 LEU 6 49.242 9.198 7.673 52 HD13 LEU 6 HD13 LEU 6 48.284 8.883 9.135 53 HD21 LEU 6 HD21 LEU 6 50.375 6.262 10.564 54 HD22 LEU 6 HD22 LEU 6 48.703 6.264 9.954 55 HD23 LEU 6 HD23 LEU 6 49.290 7.621 10.944 56 H GLU 7 HN GLU 7 53.499 7.090 6.329 57 HA GLU 7 HA GLU 7 54.347 9.255 7.886 58 HB2 GLU 7 HB2 GLU 7 55.798 7.560 6.701 59 HB3 GLU 7 HB1 GLU 7 55.561 8.497 5.206 60 HG2 GLU 7 HG2 GLU 7 56.512 10.501 6.297 61 HG3 GLU 7 HG1 GLU 7 56.733 9.582 7.805 62 H ARG 8 HN ARG 8 53.060 9.275 4.581 63 HA ARG 8 HA ARG 8 53.643 12.112 4.163 64 HB2 ARG 8 HB2 ARG 8 51.665 10.356 2.664 65 HB3 ARG 8 HB1 ARG 8 52.450 11.847 2.089 66 HG2 ARG 8 HG2 ARG 8 54.683 10.672 2.377 67 HG3 ARG 8 HG1 ARG 8 53.777 9.171 2.685 68 HD2 ARG 8 HD2 ARG 8 52.702 9.322 0.487 69 HD3 ARG 8 HD1 ARG 8 53.496 10.885 0.178 70 HE ARG 8 HE ARG 8 55.472 9.702 -0.359 71 HH11 ARG 8 HH11 ARG 8 54.245 7.399 -1.447 72 HH12 ARG 8 HH12 ARG 8 54.723 6.092 -0.415 73 HH21 ARG 8 HH21 ARG 8 55.668 8.156 2.207 74 HH22 ARG 8 HH22 ARG 8 55.527 6.521 1.654 75 H ILE 9 HN ILE 9 50.539 10.299 4.337 76 HA ILE 9 HA ILE 9 49.395 12.119 6.272 77 HB ILE 9 HB ILE 9 49.404 13.639 4.279 78 HG12 ILE 9 HG12 ILE 9 46.616 12.679 5.082 79 HG13 ILE 9 HG11 ILE 9 47.642 13.741 6.074 80 HG21 ILE 9 HG21 ILE 9 49.116 11.677 2.638 81 HG22 ILE 9 HG22 ILE 9 48.140 13.127 2.309 82 HG23 ILE 9 HG23 ILE 9 47.389 11.702 3.069 83 HD11 ILE 9 HD1 ILE 9 46.395 14.322 3.362 84 HD12 ILE 9 HD2 ILE 9 47.742 15.295 4.004 85 HD13 ILE 9 HD3 ILE 9 46.198 15.219 4.885 86 H GLY 10 HN GLY 10 48.848 9.879 3.555 87 HA2 GLY 10 HA1 GLY 10 47.627 7.894 3.562 88 HA3 GLY 10 HA2 GLY 10 47.222 8.160 5.270 89 H LYS 11 HN LYS 11 45.931 10.541 5.289 90 HA LYS 11 HA LYS 11 43.367 9.807 4.043 91 HB2 LYS 11 HB2 LYS 11 44.278 12.098 5.826 92 HB3 LYS 11 HB1 LYS 11 42.620 11.956 5.192 93 HG2 LYS 11 HG2 LYS 11 42.261 9.872 6.333 94 HG3 LYS 11 HG1 LYS 11 43.987 9.717 6.736 95 HD2 LYS 11 HD2 LYS 11 42.705 10.479 8.704 96 HD3 LYS 11 HD1 LYS 11 43.831 11.746 8.164 97 HE2 LYS 11 HE2 LYS 11 42.093 13.053 7.213 98 HE3 LYS 11 HE1 LYS 11 40.954 11.684 7.181 99 HZ1 LYS 11 HZ1 LYS 11 42.030 12.512 9.778 100 HZ2 LYS 11 HZ2 LYS 11 40.496 11.899 9.380 101 HZ3 LYS 11 HZ3 LYS 11 40.878 13.523 9.052 102 H ALA 12 HN ALA 12 43.517 10.043 1.833 103 HA ALA 12 HA ALA 12 44.667 12.477 0.665 104 HB1 ALA 12 HB1 ALA 12 43.735 11.479 -1.458 105 HB2 ALA 12 HB2 ALA 12 43.113 10.133 -0.475 106 HB3 ALA 12 HB3 ALA 12 44.866 10.428 -0.575 107 H GLY 13 HN GLY 13 42.800 13.267 2.501 108 HA2 GLY 13 HA1 GLY 13 40.899 14.567 2.725 109 HA3 GLY 13 HA2 GLY 13 41.152 15.009 1.024 110 H PHE 14 HN PHE 14 40.206 12.008 2.754 111 HA PHE 14 HA PHE 14 38.459 10.543 2.344 112 HB2 PHE 14 HB2 PHE 14 37.040 13.098 1.486 113 HB3 PHE 14 HB1 PHE 14 36.252 11.550 1.871 114 HD1 PHE 14 HD1 PHE 14 37.981 14.508 3.240 115 HD2 PHE 14 HD2 PHE 14 36.259 10.663 4.183 116 HE1 PHE 14 HE1 PHE 14 37.997 15.094 5.660 117 HE2 PHE 14 HE2 PHE 14 36.276 11.250 6.605 118 HZ PHE 14 HZ PHE 14 37.232 13.429 7.348 119 H ILE 15 HN ILE 15 40.330 10.474 0.386 120 HA ILE 15 HA ILE 15 40.643 9.769 -1.790 121 HB ILE 15 HB ILE 15 37.629 9.392 -1.989 122 HG12 ILE 15 HG12 ILE 15 39.725 7.583 -0.701 123 HG13 ILE 15 HG11 ILE 15 38.386 8.401 0.135 124 HG21 ILE 15 HG21 ILE 15 39.899 7.722 -3.139 125 HG22 ILE 15 HG22 ILE 15 39.188 9.101 -4.008 126 HG23 ILE 15 HG23 ILE 15 38.178 7.698 -3.594 127 HD11 ILE 15 HD1 ILE 15 37.575 6.199 -0.213 128 HD12 ILE 15 HD2 ILE 15 38.259 6.109 -1.852 129 HD13 ILE 15 HD3 ILE 15 36.834 7.130 -1.536 130 H ILE 16 HN ILE 16 41.122 12.148 -2.020 131 HA ILE 16 HA ILE 16 39.419 13.228 -4.243 132 HB ILE 16 HB ILE 16 40.409 14.764 -1.795 133 HG12 ILE 16 HG12 ILE 16 38.118 13.496 -1.823 134 HG13 ILE 16 HG11 ILE 16 38.146 15.180 -1.273 135 HG21 ILE 16 HG21 ILE 16 39.367 16.780 -3.003 136 HG22 ILE 16 HG22 ILE 16 39.428 15.793 -4.483 137 HG23 ILE 16 HG23 ILE 16 40.929 16.203 -3.622 138 HD11 ILE 16 HD1 ILE 16 36.264 14.515 -2.907 139 HD12 ILE 16 HD2 ILE 16 37.510 14.461 -4.167 140 HD13 ILE 16 HD3 ILE 16 37.184 15.979 -3.307 141 H ILE 17 HN ILE 17 42.343 14.229 -2.384 142 HA ILE 17 HA ILE 17 43.678 15.041 -4.816 143 HB ILE 17 HB ILE 17 44.314 16.039 -2.658 144 HG12 ILE 17 HG12 ILE 17 46.747 15.831 -2.788 145 HG13 ILE 17 HG11 ILE 17 46.617 14.295 -3.667 146 HG21 ILE 17 HG21 ILE 17 45.351 14.743 -0.890 147 HG22 ILE 17 HG22 ILE 17 45.364 13.281 -1.905 148 HG23 ILE 17 HG23 ILE 17 43.820 13.954 -1.331 149 HD11 ILE 17 HD1 ILE 17 45.855 15.347 -5.645 150 HD12 ILE 17 HD2 ILE 17 47.060 16.499 -5.027 151 HD13 ILE 17 HD3 ILE 17 45.325 16.810 -4.780 152 H GLY 18 HN GLY 18 43.248 12.057 -3.122 153 HA2 GLY 18 HA1 GLY 18 45.540 10.718 -4.423 154 HA3 GLY 18 HA2 GLY 18 44.351 9.991 -3.322 155 H GLY 19 HN GLY 19 41.980 10.180 -4.324 156 HA2 GLY 19 HA1 GLY 19 42.024 8.420 -6.598 157 HA3 GLY 19 HA2 GLY 19 40.594 9.211 -5.907 158 H ALA 20 HN ALA 20 41.706 11.919 -6.229 159 HA ALA 20 HA ALA 20 41.533 13.598 -7.820 160 HB1 ALA 20 HB1 ALA 20 43.707 12.640 -8.494 161 HB2 ALA 20 HB2 ALA 20 42.804 13.269 -9.892 162 HB3 ALA 20 HB3 ALA 20 42.868 11.516 -9.588 163 H LEU 21 HN LEU 21 39.146 12.619 -7.497 164 HA LEU 21 HA LEU 21 37.893 11.271 -9.658 165 HB2 LEU 21 HB2 LEU 21 36.574 13.478 -8.039 166 HB3 LEU 21 HB1 LEU 21 35.824 12.031 -8.751 167 HG LEU 21 HG LEU 21 37.788 12.125 -6.419 168 HD11 LEU 21 HD11 LEU 21 35.375 12.702 -5.985 169 HD12 LEU 21 HD12 LEU 21 35.917 11.233 -5.140 170 HD13 LEU 21 HD13 LEU 21 34.925 11.098 -6.611 171 HD21 LEU 21 HD21 LEU 21 38.385 10.155 -7.643 172 HD22 LEU 21 HD22 LEU 21 36.691 9.800 -8.056 173 HD23 LEU 21 HD23 LEU 21 37.267 9.586 -6.384 174 H ASP 22 HN ASP 22 38.693 11.988 -11.639 175 HA ASP 22 HA ASP 22 38.772 13.348 -13.515 176 HB2 ASP 22 HB2 ASP 22 36.267 14.639 -12.371 177 HB3 ASP 22 HB1 ASP 22 36.750 14.528 -14.080 178 H HIS 23 HN HIS 23 37.346 16.149 -13.233 179 HA HIS 23 HA HIS 23 39.835 17.581 -12.683 180 HB2 HIS 23 HB2 HIS 23 36.997 18.501 -13.277 181 HB3 HIS 23 HB1 HIS 23 38.376 19.608 -13.069 182 HD1 HIS 23 HD1 HIS 23 36.546 18.020 -15.676 183 HD2 HIS 23 HD2 HIS 23 40.652 18.560 -14.930 184 HE1 HIS 23 HE1 HIS 23 37.772 17.718 -17.899 185 H LEU 24 HN LEU 24 38.365 15.991 -10.507 186 HA LEU 24 HA LEU 24 38.915 17.877 -8.382 187 HB2 LEU 24 HB2 LEU 24 36.780 18.851 -8.934 188 HB3 LEU 24 HB1 LEU 24 36.013 17.253 -9.053 189 HG LEU 24 HG LEU 24 36.200 16.897 -6.664 190 HD11 LEU 24 HD11 LEU 24 38.345 17.777 -6.099 191 HD12 LEU 24 HD12 LEU 24 37.194 18.826 -5.242 192 HD13 LEU 24 HD13 LEU 24 37.952 19.384 -6.754 193 HD21 LEU 24 HD21 LEU 24 35.336 19.766 -7.245 194 HD22 LEU 24 HD22 LEU 24 34.884 18.822 -5.804 195 HD23 LEU 24 HD23 LEU 24 34.319 18.315 -7.415 Start of MODEL 51 1 H1 GLY 1 HT1 GLY 1 64.032 3.573 7.992 2 H2 GLY 1 HT2 GLY 1 63.104 4.419 6.847 3 H3 GLY 1 HT3 GLY 1 63.069 2.721 6.888 4 HA2 GLY 1 HA1 GLY 1 62.270 3.023 9.272 5 HA3 GLY 1 HA2 GLY 1 61.872 4.661 8.714 6 H LYS 2 HN LYS 2 60.530 1.786 9.313 7 HA LYS 2 HA LYS 2 58.964 1.397 6.869 8 HB2 LYS 2 HB2 LYS 2 58.868 0.267 9.687 9 HB3 LYS 2 HB1 LYS 2 57.594 -0.105 8.502 10 HG2 LYS 2 HG2 LYS 2 59.428 -1.819 8.556 11 HG3 LYS 2 HG1 LYS 2 59.225 -1.058 6.961 12 HD2 LYS 2 HD2 LYS 2 61.164 0.307 7.238 13 HD3 LYS 2 HD1 LYS 2 61.239 -0.010 8.989 14 HE2 LYS 2 HE2 LYS 2 61.579 -2.171 6.867 15 HE3 LYS 2 HE1 LYS 2 62.939 -1.296 7.609 16 HZ1 LYS 2 HZ1 LYS 2 61.971 -2.014 9.805 17 HZ2 LYS 2 HZ2 LYS 2 62.644 -3.254 8.858 18 HZ3 LYS 2 HZ3 LYS 2 60.957 -3.063 8.940 19 H GLY 3 HN GLY 3 58.905 4.102 7.896 20 HA2 GLY 3 HA1 GLY 3 56.686 4.895 9.416 21 HA3 GLY 3 HA2 GLY 3 57.157 5.768 7.886 22 H ARG 4 HN ARG 4 57.163 4.757 6.180 23 HA ARG 4 HA ARG 4 55.060 5.951 5.998 24 HB2 ARG 4 HB2 ARG 4 56.201 4.298 3.694 25 HB3 ARG 4 HB1 ARG 4 54.998 5.595 3.481 26 HG2 ARG 4 HG2 ARG 4 56.501 7.249 4.402 27 HG3 ARG 4 HG1 ARG 4 57.653 5.996 4.923 28 HD2 ARG 4 HD2 ARG 4 58.002 5.360 2.532 29 HD3 ARG 4 HD1 ARG 4 56.915 6.683 2.045 30 HE ARG 4 HE ARG 4 58.827 7.932 3.630 31 HH11 ARG 4 HH11 ARG 4 58.555 6.297 0.630 32 HH12 ARG 4 HH12 ARG 4 60.129 6.757 0.074 33 HH21 ARG 4 HH21 ARG 4 60.999 8.348 3.030 34 HH22 ARG 4 HH22 ARG 4 61.514 7.918 1.433 35 H TRP 5 HN TRP 5 55.298 2.852 6.669 36 HA TRP 5 HA TRP 5 53.452 1.205 5.432 37 HB2 TRP 5 HB2 TRP 5 54.780 0.638 7.481 38 HB3 TRP 5 HB1 TRP 5 53.596 1.545 8.453 39 HD1 TRP 5 HD1 TRP 5 51.137 0.548 8.650 40 HE1 TRP 5 HE1 TRP 5 50.171 -1.844 8.312 41 HE3 TRP 5 HE3 TRP 5 55.040 -1.543 6.083 42 HZ2 TRP 5 HZ2 TRP 5 51.009 -4.310 7.086 43 HZ3 TRP 5 HZ3 TRP 5 54.937 -3.917 5.338 44 HH2 TRP 5 HH2 TRP 5 52.926 -5.301 5.837 45 H LEU 6 HN LEU 6 52.752 4.167 7.077 46 HA LEU 6 HA LEU 6 49.793 3.642 6.838 47 HB2 LEU 6 HB2 LEU 6 50.844 4.026 9.183 48 HB3 LEU 6 HB1 LEU 6 51.087 5.704 8.653 49 HG LEU 6 HG LEU 6 48.501 5.553 7.981 50 HD11 LEU 6 HD11 LEU 6 47.239 4.127 9.606 51 HD12 LEU 6 HD12 LEU 6 48.775 3.403 10.132 52 HD13 LEU 6 HD13 LEU 6 48.200 3.160 8.467 53 HD21 LEU 6 HD21 LEU 6 47.904 6.295 10.314 54 HD22 LEU 6 HD22 LEU 6 49.346 7.106 9.660 55 HD23 LEU 6 HD23 LEU 6 49.526 5.790 10.844 56 H GLU 7 HN GLU 7 52.537 5.576 5.839 57 HA GLU 7 HA GLU 7 50.800 7.810 4.916 58 HB2 GLU 7 HB2 GLU 7 53.779 7.340 4.511 59 HB3 GLU 7 HB1 GLU 7 52.887 8.851 4.221 60 HG2 GLU 7 HG2 GLU 7 52.319 9.012 6.603 61 HG3 GLU 7 HG1 GLU 7 53.107 7.447 6.921 62 H ARG 8 HN ARG 8 50.602 4.970 3.867 63 HA ARG 8 HA ARG 8 51.648 5.094 1.139 64 HB2 ARG 8 HB2 ARG 8 49.464 3.278 2.216 65 HB3 ARG 8 HB1 ARG 8 50.519 3.002 0.811 66 HG2 ARG 8 HG2 ARG 8 52.498 3.135 2.460 67 HG3 ARG 8 HG1 ARG 8 51.285 3.019 3.758 68 HD2 ARG 8 HD2 ARG 8 52.007 0.772 3.346 69 HD3 ARG 8 HD1 ARG 8 50.416 0.914 2.558 70 HE ARG 8 HE ARG 8 52.612 1.548 0.746 71 HH11 ARG 8 HH11 ARG 8 50.889 -0.991 2.319 72 HH12 ARG 8 HH12 ARG 8 51.109 -2.121 1.025 73 HH21 ARG 8 HH21 ARG 8 52.851 0.107 -0.980 74 HH22 ARG 8 HH22 ARG 8 52.219 -1.500 -0.841 75 H ILE 9 HN ILE 9 48.280 4.908 2.401 76 HA ILE 9 HA ILE 9 46.977 5.565 0.015 77 HB ILE 9 HB ILE 9 45.747 4.849 2.001 78 HG12 ILE 9 HG12 ILE 9 44.883 7.683 1.247 79 HG13 ILE 9 HG11 ILE 9 44.615 6.248 0.228 80 HG21 ILE 9 HG21 ILE 9 47.279 6.305 3.561 81 HG22 ILE 9 HG22 ILE 9 45.575 6.071 4.009 82 HG23 ILE 9 HG23 ILE 9 46.092 7.595 3.257 83 HD11 ILE 9 HD1 ILE 9 43.416 5.185 2.199 84 HD12 ILE 9 HD2 ILE 9 42.599 6.611 1.515 85 HD13 ILE 9 HD3 ILE 9 43.525 6.756 3.027 86 H GLY 10 HN GLY 10 47.443 7.157 -1.329 87 HA2 GLY 10 HA1 GLY 10 48.557 9.683 -0.411 88 HA3 GLY 10 HA2 GLY 10 48.078 9.270 -2.069 89 H LYS 11 HN LYS 11 45.336 8.478 -1.136 90 HA LYS 11 HA LYS 11 44.030 10.936 -1.653 91 HB2 LYS 11 HB2 LYS 11 43.132 8.365 -0.306 92 HB3 LYS 11 HB1 LYS 11 42.025 9.751 -0.465 93 HG2 LYS 11 HG2 LYS 11 41.798 8.119 -2.346 94 HG3 LYS 11 HG1 LYS 11 42.291 9.736 -2.901 95 HD2 LYS 11 HD2 LYS 11 44.564 9.050 -3.217 96 HD3 LYS 11 HD1 LYS 11 44.312 7.538 -2.310 97 HE2 LYS 11 HE2 LYS 11 44.361 7.138 -4.765 98 HE3 LYS 11 HE1 LYS 11 42.776 6.727 -4.066 99 HZ1 LYS 11 HZ1 LYS 11 41.946 8.085 -5.605 100 HZ2 LYS 11 HZ2 LYS 11 43.462 8.749 -5.986 101 HZ3 LYS 11 HZ3 LYS 11 42.560 9.372 -4.689 102 H ALA 12 HN ALA 12 44.223 12.746 -0.508 103 HA ALA 12 HA ALA 12 44.933 12.709 2.303 104 HB1 ALA 12 HB1 ALA 12 45.619 14.528 0.847 105 HB2 ALA 12 HB2 ALA 12 44.568 15.162 2.140 106 HB3 ALA 12 HB3 ALA 12 43.920 14.929 0.498 107 H GLY 13 HN GLY 13 42.169 11.777 0.886 108 HA2 GLY 13 HA1 GLY 13 39.910 11.827 1.465 109 HA3 GLY 13 HA2 GLY 13 40.578 11.479 3.070 110 H PHE 14 HN PHE 14 40.895 14.500 1.213 111 HA PHE 14 HA PHE 14 38.777 15.853 2.655 112 HB2 PHE 14 HB2 PHE 14 40.589 15.537 4.442 113 HB3 PHE 14 HB1 PHE 14 41.586 16.663 3.492 114 HD1 PHE 14 HD1 PHE 14 38.074 16.366 4.856 115 HD2 PHE 14 HD2 PHE 14 41.413 18.970 3.999 116 HE1 PHE 14 HE1 PHE 14 36.848 18.279 5.877 117 HE2 PHE 14 HE2 PHE 14 40.183 20.878 5.020 118 HZ PHE 14 HZ PHE 14 37.874 20.549 5.893 119 H ILE 15 HN ILE 15 41.471 15.713 0.503 120 HA ILE 15 HA ILE 15 40.397 18.034 -0.988 121 HB ILE 15 HB ILE 15 42.714 19.036 -1.234 122 HG12 ILE 15 HG12 ILE 15 43.271 17.165 1.116 123 HG13 ILE 15 HG11 ILE 15 44.014 17.081 -0.498 124 HG21 ILE 15 HG21 ILE 15 41.763 19.020 1.659 125 HG22 ILE 15 HG22 ILE 15 40.894 19.881 0.367 126 HG23 ILE 15 HG23 ILE 15 42.561 20.343 0.777 127 HD11 ILE 15 HD1 ILE 15 44.408 19.176 1.661 128 HD12 ILE 15 HD2 ILE 15 44.781 19.539 -0.042 129 HD13 ILE 15 HD3 ILE 15 45.636 18.223 0.797 130 H ILE 16 HN ILE 16 40.161 15.433 -1.640 131 HA ILE 16 HA ILE 16 41.867 15.296 -4.073 132 HB ILE 16 HB ILE 16 42.972 13.932 -2.233 133 HG12 ILE 16 HG12 ILE 16 43.128 11.819 -3.662 134 HG13 ILE 16 HG11 ILE 16 41.870 12.513 -4.707 135 HG21 ILE 16 HG21 ILE 16 41.925 11.956 -1.392 136 HG22 ILE 16 HG22 ILE 16 40.607 12.055 -2.583 137 HG23 ILE 16 HG23 ILE 16 40.700 13.236 -1.255 138 HD11 ILE 16 HD1 ILE 16 44.448 12.858 -5.294 139 HD12 ILE 16 HD2 ILE 16 44.340 14.170 -4.100 140 HD13 ILE 16 HD3 ILE 16 43.295 14.187 -5.541 141 H ILE 17 HN ILE 17 39.117 14.177 -2.139 142 HA ILE 17 HA ILE 17 37.861 12.844 -4.462 143 HB ILE 17 HB ILE 17 35.844 12.797 -2.711 144 HG12 ILE 17 HG12 ILE 17 36.566 12.926 -0.381 145 HG13 ILE 17 HG11 ILE 17 38.235 13.281 -0.874 146 HG21 ILE 17 HG21 ILE 17 36.785 10.772 -1.685 147 HG22 ILE 17 HG22 ILE 17 38.421 11.250 -2.196 148 HG23 ILE 17 HG23 ILE 17 37.195 10.828 -3.415 149 HD11 ILE 17 HD1 ILE 17 36.782 15.288 -0.160 150 HD12 ILE 17 HD2 ILE 17 35.898 15.053 -1.685 151 HD13 ILE 17 HD3 ILE 17 37.637 15.442 -1.710 152 H GLY 18 HN GLY 18 38.421 15.961 -3.787 153 HA2 GLY 18 HA1 GLY 18 36.211 16.863 -5.465 154 HA3 GLY 18 HA2 GLY 18 36.055 17.393 -3.778 155 H GLY 19 HN GLY 19 38.928 17.586 -3.314 156 HA2 GLY 19 HA1 GLY 19 39.309 20.304 -4.037 157 HA3 GLY 19 HA2 GLY 19 40.578 19.196 -3.476 158 H ALA 20 HN ALA 20 40.528 17.297 -5.533 159 HA ALA 20 HA ALA 20 42.177 18.625 -7.480 160 HB1 ALA 20 HB1 ALA 20 42.304 16.488 -8.561 161 HB2 ALA 20 HB2 ALA 20 40.805 15.935 -7.775 162 HB3 ALA 20 HB3 ALA 20 42.277 16.192 -6.808 163 H LEU 21 HN LEU 21 38.876 17.220 -7.694 164 HA LEU 21 HA LEU 21 37.180 17.622 -9.220 165 HB2 LEU 21 HB2 LEU 21 37.503 19.935 -8.190 166 HB3 LEU 21 HB1 LEU 21 38.498 20.333 -9.607 167 HG LEU 21 HG LEU 21 36.418 19.504 -11.009 168 HD11 LEU 21 HD11 LEU 21 35.055 18.551 -9.241 169 HD12 LEU 21 HD12 LEU 21 34.251 20.036 -9.787 170 HD13 LEU 21 HD13 LEU 21 35.176 20.036 -8.270 171 HD21 LEU 21 HD21 LEU 21 37.212 21.849 -10.915 172 HD22 LEU 21 HD22 LEU 21 36.314 22.096 -9.397 173 HD23 LEU 21 HD23 LEU 21 35.434 21.779 -10.911 174 H ASP 22 HN ASP 22 37.535 16.224 -10.877 175 HA ASP 22 HA ASP 22 38.470 17.378 -13.388 176 HB2 ASP 22 HB2 ASP 22 40.634 16.790 -12.224 177 HB3 ASP 22 HB1 ASP 22 40.109 15.090 -12.232 178 H HIS 23 HN HIS 23 37.589 14.519 -11.465 179 HA HIS 23 HA HIS 23 35.598 13.730 -13.412 180 HB2 HIS 23 HB2 HIS 23 36.633 11.545 -14.042 181 HB3 HIS 23 HB1 HIS 23 37.517 12.946 -14.695 182 HD1 HIS 23 HD1 HIS 23 37.612 10.911 -11.417 183 HD2 HIS 23 HD2 HIS 23 40.211 12.586 -14.268 184 HE1 HIS 23 HE1 HIS 23 39.999 10.405 -10.662 185 H LEU 24 HN LEU 24 36.910 13.838 -10.404 186 HA LEU 24 HA LEU 24 36.463 11.406 -9.146 187 HB2 LEU 24 HB2 LEU 24 36.170 12.607 -7.106 188 HB3 LEU 24 HB1 LEU 24 37.270 13.564 -8.108 189 HG LEU 24 HG LEU 24 35.772 15.151 -7.189 190 HD11 LEU 24 HD11 LEU 24 36.143 15.307 -9.676 191 HD12 LEU 24 HD12 LEU 24 34.669 16.114 -9.095 192 HD13 LEU 24 HD13 LEU 24 34.554 14.542 -9.914 193 HD21 LEU 24 HD21 LEU 24 33.564 14.816 -6.609 194 HD22 LEU 24 HD22 LEU 24 33.949 13.094 -6.799 195 HD23 LEU 24 HD23 LEU 24 33.166 13.981 -8.123 Start of MODEL 52 1 H1 GLY 1 HT1 GLY 1 58.730 1.387 -2.295 2 H2 GLY 1 HT2 GLY 1 60.349 1.597 -2.766 3 H3 GLY 1 HT3 GLY 1 59.571 2.783 -1.831 4 HA2 GLY 1 HA1 GLY 1 60.499 0.116 -1.060 5 HA3 GLY 1 HA2 GLY 1 60.881 1.689 -0.331 6 H LYS 2 HN LYS 2 60.025 1.913 1.610 7 HA LYS 2 HA LYS 2 57.141 1.295 1.995 8 HB2 LYS 2 HB2 LYS 2 59.361 0.005 3.637 9 HB3 LYS 2 HB1 LYS 2 57.642 0.018 4.098 10 HG2 LYS 2 HG2 LYS 2 57.147 -1.059 1.831 11 HG3 LYS 2 HG1 LYS 2 58.904 -1.286 1.652 12 HD2 LYS 2 HD2 LYS 2 58.885 -2.485 3.890 13 HD3 LYS 2 HD1 LYS 2 57.106 -2.424 3.831 14 HE2 LYS 2 HE2 LYS 2 57.151 -3.628 1.653 15 HE3 LYS 2 HE1 LYS 2 58.925 -3.723 1.755 16 HZ1 LYS 2 HZ1 LYS 2 57.377 -4.680 4.050 17 HZ2 LYS 2 HZ2 LYS 2 58.840 -5.257 3.407 18 HZ3 LYS 2 HZ3 LYS 2 57.367 -5.641 2.651 19 H GLY 3 HN GLY 3 56.628 1.793 4.449 20 HA2 GLY 3 HA1 GLY 3 57.751 3.406 6.258 21 HA3 GLY 3 HA2 GLY 3 57.658 4.612 4.894 22 H ARG 4 HN ARG 4 56.205 4.450 3.568 23 HA ARG 4 HA ARG 4 55.335 6.223 4.971 24 HB2 ARG 4 HB2 ARG 4 53.988 5.360 2.369 25 HB3 ARG 4 HB1 ARG 4 53.683 6.930 3.152 26 HG2 ARG 4 HG2 ARG 4 56.075 7.489 3.035 27 HG3 ARG 4 HG1 ARG 4 56.437 5.892 2.340 28 HD2 ARG 4 HD2 ARG 4 54.561 7.920 1.055 29 HD3 ARG 4 HD1 ARG 4 56.278 7.739 0.624 30 HE ARG 4 HE ARG 4 55.251 5.170 0.371 31 HH11 ARG 4 HH11 ARG 4 52.626 6.344 -0.302 32 HH12 ARG 4 HH12 ARG 4 52.750 6.616 -2.008 33 HH21 ARG 4 HH21 ARG 4 56.209 6.362 -2.067 34 HH22 ARG 4 HH22 ARG 4 54.779 6.627 -3.007 35 H TRP 5 HN TRP 5 54.263 3.220 5.004 36 HA TRP 5 HA TRP 5 51.504 2.973 5.253 37 HB2 TRP 5 HB2 TRP 5 53.459 1.868 7.305 38 HB3 TRP 5 HB1 TRP 5 51.874 1.194 6.857 39 HD1 TRP 5 HD1 TRP 5 55.468 1.013 5.996 40 HE1 TRP 5 HE1 TRP 5 55.858 -0.375 3.833 41 HE3 TRP 5 HE3 TRP 5 50.634 0.736 4.335 42 HZ2 TRP 5 HZ2 TRP 5 54.261 -1.446 1.689 43 HZ3 TRP 5 HZ3 TRP 5 50.091 -0.474 2.228 44 HH2 TRP 5 HH2 TRP 5 51.898 -1.565 0.905 45 H LEU 6 HN LEU 6 53.586 4.954 7.161 46 HA LEU 6 HA LEU 6 51.372 5.495 9.134 47 HB2 LEU 6 HB2 LEU 6 54.313 6.166 9.493 48 HB3 LEU 6 HB1 LEU 6 53.031 6.105 10.725 49 HG LEU 6 HG LEU 6 54.110 3.714 9.160 50 HD11 LEU 6 HD11 LEU 6 55.643 4.738 10.899 51 HD12 LEU 6 HD12 LEU 6 55.159 3.060 11.243 52 HD13 LEU 6 HD13 LEU 6 54.386 4.405 12.115 53 HD21 LEU 6 HD21 LEU 6 51.942 4.035 11.278 54 HD22 LEU 6 HD22 LEU 6 52.751 2.476 10.985 55 HD23 LEU 6 HD23 LEU 6 51.819 3.251 9.685 56 H GLU 7 HN GLU 7 53.360 6.809 6.540 57 HA GLU 7 HA GLU 7 52.865 9.607 7.404 58 HB2 GLU 7 HB2 GLU 7 54.120 8.434 4.893 59 HB3 GLU 7 HB1 GLU 7 54.032 10.168 5.278 60 HG2 GLU 7 HG2 GLU 7 55.306 8.103 7.123 61 HG3 GLU 7 HG1 GLU 7 56.225 9.028 5.910 62 H ARG 8 HN ARG 8 51.263 7.153 5.600 63 HA ARG 8 HA ARG 8 49.803 9.001 3.837 64 HB2 ARG 8 HB2 ARG 8 50.317 6.611 3.240 65 HB3 ARG 8 HB1 ARG 8 49.192 6.098 4.522 66 HG2 ARG 8 HG2 ARG 8 47.333 7.218 3.425 67 HG3 ARG 8 HG1 ARG 8 48.424 7.948 2.222 68 HD2 ARG 8 HD2 ARG 8 48.957 5.772 1.287 69 HD3 ARG 8 HD1 ARG 8 48.075 4.943 2.592 70 HE ARG 8 HE ARG 8 46.248 6.695 1.297 71 HH11 ARG 8 HH11 ARG 8 46.817 3.498 1.615 72 HH12 ARG 8 HH12 ARG 8 46.334 3.026 0.021 73 HH21 ARG 8 HH21 ARG 8 46.197 6.273 -1.187 74 HH22 ARG 8 HH22 ARG 8 45.983 4.596 -1.565 75 H ILE 9 HN ILE 9 48.524 10.445 4.852 76 HA ILE 9 HA ILE 9 47.143 9.904 7.316 77 HB ILE 9 HB ILE 9 45.809 11.965 6.736 78 HG12 ILE 9 HG12 ILE 9 47.503 11.843 4.195 79 HG13 ILE 9 HG11 ILE 9 45.742 11.605 4.281 80 HG21 ILE 9 HG21 ILE 9 48.781 12.352 6.183 81 HG22 ILE 9 HG22 ILE 9 48.147 11.971 7.801 82 HG23 ILE 9 HG23 ILE 9 47.661 13.476 6.989 83 HD11 ILE 9 HD1 ILE 9 45.687 13.965 5.401 84 HD12 ILE 9 HD2 ILE 9 45.968 13.877 3.646 85 HD13 ILE 9 HD3 ILE 9 47.335 14.146 4.752 86 H GLY 10 HN GLY 10 46.330 9.430 3.917 87 HA2 GLY 10 HA1 GLY 10 44.422 8.564 2.918 88 HA3 GLY 10 HA2 GLY 10 44.406 7.471 4.314 89 H LYS 11 HN LYS 11 44.046 10.944 4.683 90 HA LYS 11 HA LYS 11 41.446 10.537 5.979 91 HB2 LYS 11 HB2 LYS 11 43.279 12.232 6.639 92 HB3 LYS 11 HB1 LYS 11 42.716 13.203 5.259 93 HG2 LYS 11 HG2 LYS 11 40.437 13.266 6.201 94 HG3 LYS 11 HG1 LYS 11 40.946 12.226 7.548 95 HD2 LYS 11 HD2 LYS 11 41.066 14.378 8.506 96 HD3 LYS 11 HD1 LYS 11 42.748 14.090 8.009 97 HE2 LYS 11 HE2 LYS 11 41.934 16.369 7.379 98 HE3 LYS 11 HE1 LYS 11 42.396 15.409 5.959 99 HZ1 LYS 11 HZ1 LYS 11 40.153 14.982 5.456 100 HZ2 LYS 11 HZ2 LYS 11 40.209 16.637 5.835 101 HZ3 LYS 11 HZ3 LYS 11 39.606 15.523 6.967 102 H ALA 12 HN ALA 12 42.582 11.274 2.792 103 HA ALA 12 HA ALA 12 41.362 11.498 0.836 104 HB1 ALA 12 HB1 ALA 12 38.733 11.828 2.283 105 HB2 ALA 12 HB2 ALA 12 39.521 10.234 2.267 106 HB3 ALA 12 HB3 ALA 12 39.085 11.027 0.735 107 H GLY 13 HN GLY 13 41.071 13.569 3.596 108 HA2 GLY 13 HA1 GLY 13 40.588 15.848 3.783 109 HA3 GLY 13 HA2 GLY 13 41.689 15.953 2.394 110 H PHE 14 HN PHE 14 38.542 14.379 2.454 111 HA PHE 14 HA PHE 14 36.545 14.896 1.404 112 HB2 PHE 14 HB2 PHE 14 37.112 17.308 2.302 113 HB3 PHE 14 HB1 PHE 14 37.553 17.654 0.615 114 HD1 PHE 14 HD1 PHE 14 34.786 16.038 2.614 115 HD2 PHE 14 HD2 PHE 14 35.846 18.390 -0.850 116 HE1 PHE 14 HE1 PHE 14 32.374 16.320 2.063 117 HE2 PHE 14 HE2 PHE 14 33.432 18.671 -1.397 118 HZ PHE 14 HZ PHE 14 31.699 17.589 0.028 119 H ILE 15 HN ILE 15 38.421 13.431 0.132 120 HA ILE 15 HA ILE 15 38.965 12.636 -1.953 121 HB ILE 15 HB ILE 15 37.055 14.705 -3.125 122 HG12 ILE 15 HG12 ILE 15 36.471 11.888 -2.092 123 HG13 ILE 15 HG11 ILE 15 35.977 13.395 -1.286 124 HG21 ILE 15 HG21 ILE 15 37.936 11.944 -4.071 125 HG22 ILE 15 HG22 ILE 15 38.558 13.488 -4.697 126 HG23 ILE 15 HG23 ILE 15 36.852 13.058 -4.935 127 HD11 ILE 15 HD1 ILE 15 34.954 12.190 -3.871 128 HD12 ILE 15 HD2 ILE 15 34.858 13.952 -3.630 129 HD13 ILE 15 HD3 ILE 15 34.038 12.851 -2.500 130 H ILE 16 HN ILE 16 41.014 13.729 -1.274 131 HA ILE 16 HA ILE 16 41.794 15.668 -3.435 132 HB ILE 16 HB ILE 16 42.503 15.848 -0.473 133 HG12 ILE 16 HG12 ILE 16 40.244 16.805 -1.364 134 HG13 ILE 16 HG11 ILE 16 41.271 17.864 -0.384 135 HG21 ILE 16 HG21 ILE 16 43.615 17.328 -2.890 136 HG22 ILE 16 HG22 ILE 16 44.509 16.385 -1.672 137 HG23 ILE 16 HG23 ILE 16 43.774 17.940 -1.226 138 HD11 ILE 16 HD1 ILE 16 40.271 18.910 -2.501 139 HD12 ILE 16 HD2 ILE 16 41.371 17.877 -3.433 140 HD13 ILE 16 HD3 ILE 16 42.028 19.083 -2.309 141 H ILE 17 HN ILE 17 43.515 14.238 -0.637 142 HA ILE 17 HA ILE 17 45.782 13.549 -2.256 143 HB ILE 17 HB ILE 17 46.480 12.136 -0.293 144 HG12 ILE 17 HG12 ILE 17 44.994 12.461 1.799 145 HG13 ILE 17 HG11 ILE 17 43.705 12.968 0.686 146 HG21 ILE 17 HG21 ILE 17 46.996 14.546 -0.417 147 HG22 ILE 17 HG22 ILE 17 46.675 14.056 1.264 148 HG23 ILE 17 HG23 ILE 17 45.430 14.928 0.337 149 HD11 ILE 17 HD1 ILE 17 43.385 10.807 -0.139 150 HD12 ILE 17 HD2 ILE 17 43.985 10.392 1.476 151 HD13 ILE 17 HD3 ILE 17 45.086 10.342 0.084 152 H GLY 18 HN GLY 18 42.711 12.258 -2.187 153 HA2 GLY 18 HA1 GLY 18 43.634 9.505 -2.959 154 HA3 GLY 18 HA2 GLY 18 42.002 9.950 -2.417 155 H GLY 19 HN GLY 19 40.933 11.716 -3.837 156 HA2 GLY 19 HA1 GLY 19 40.745 10.577 -6.488 157 HA3 GLY 19 HA2 GLY 19 39.955 12.058 -5.918 158 H ALA 20 HN ALA 20 42.763 12.999 -5.059 159 HA ALA 20 HA ALA 20 44.427 14.325 -5.977 160 HB1 ALA 20 HB1 ALA 20 45.553 13.569 -7.913 161 HB2 ALA 20 HB2 ALA 20 44.083 12.830 -8.592 162 HB3 ALA 20 HB3 ALA 20 44.880 12.095 -7.179 163 H LEU 21 HN LEU 21 41.319 14.574 -6.676 164 HA LEU 21 HA LEU 21 40.012 16.093 -7.836 165 HB2 LEU 21 HB2 LEU 21 41.988 17.483 -6.500 166 HB3 LEU 21 HB1 LEU 21 42.238 18.085 -8.150 167 HG LEU 21 HG LEU 21 39.567 18.092 -6.661 168 HD11 LEU 21 HD11 LEU 21 41.413 20.413 -7.362 169 HD12 LEU 21 HD12 LEU 21 41.332 19.655 -5.753 170 HD13 LEU 21 HD13 LEU 21 39.906 20.487 -6.419 171 HD21 LEU 21 HD21 LEU 21 40.472 19.170 -9.367 172 HD22 LEU 21 HD22 LEU 21 38.957 19.663 -8.572 173 HD23 LEU 21 HD23 LEU 21 39.198 17.967 -9.051 174 H ASP 22 HN ASP 22 42.171 14.304 -9.266 175 HA ASP 22 HA ASP 22 42.723 15.684 -11.754 176 HB2 ASP 22 HB2 ASP 22 44.092 13.797 -11.013 177 HB3 ASP 22 HB1 ASP 22 42.676 12.720 -11.050 178 H HIS 23 HN HIS 23 41.285 12.579 -12.207 179 HA HIS 23 HA HIS 23 39.380 13.625 -14.105 180 HB2 HIS 23 HB2 HIS 23 40.353 11.349 -14.255 181 HB3 HIS 23 HB1 HIS 23 39.498 10.892 -12.763 182 HD1 HIS 23 HD1 HIS 23 36.898 10.650 -12.858 183 HD2 HIS 23 HD2 HIS 23 38.723 11.448 -16.561 184 HE1 HIS 23 HE1 HIS 23 35.143 10.256 -14.674 185 H LEU 24 HN LEU 24 39.400 13.932 -10.848 186 HA LEU 24 HA LEU 24 36.552 14.548 -10.760 187 HB2 LEU 24 HB2 LEU 24 36.870 11.937 -10.415 188 HB3 LEU 24 HB1 LEU 24 37.385 12.404 -8.781 189 HG LEU 24 HG LEU 24 34.721 13.075 -10.119 190 HD11 LEU 24 HD11 LEU 24 35.396 11.375 -7.676 191 HD12 LEU 24 HD12 LEU 24 35.003 10.732 -9.290 192 HD13 LEU 24 HD13 LEU 24 33.777 11.635 -8.367 193 HD21 LEU 24 HD21 LEU 24 35.973 13.957 -7.486 194 HD22 LEU 24 HD22 LEU 24 34.209 13.940 -7.725 195 HD23 LEU 24 HD23 LEU 24 35.235 14.966 -8.753 Start of MODEL 53 1 H1 GLY 1 HT1 GLY 1 64.065 0.080 6.010 2 H2 GLY 1 HT2 GLY 1 64.216 1.366 4.909 3 H3 GLY 1 HT3 GLY 1 62.970 0.225 4.726 4 HA2 GLY 1 HA1 GLY 1 62.489 1.045 7.182 5 HA3 GLY 1 HA2 GLY 1 63.176 2.512 6.458 6 H LYS 2 HN LYS 2 60.521 0.237 6.486 7 HA LYS 2 HA LYS 2 59.136 1.464 4.208 8 HB2 LYS 2 HB2 LYS 2 58.059 -0.374 6.382 9 HB3 LYS 2 HB1 LYS 2 57.304 -0.025 4.809 10 HG2 LYS 2 HG2 LYS 2 59.415 -0.927 3.709 11 HG3 LYS 2 HG1 LYS 2 59.931 -1.478 5.321 12 HD2 LYS 2 HD2 LYS 2 57.844 -2.810 5.526 13 HD3 LYS 2 HD1 LYS 2 57.349 -2.275 3.903 14 HE2 LYS 2 HE2 LYS 2 58.354 -4.426 3.590 15 HE3 LYS 2 HE1 LYS 2 59.582 -3.250 3.063 16 HZ1 LYS 2 HZ1 LYS 2 59.972 -3.560 5.771 17 HZ2 LYS 2 HZ2 LYS 2 60.932 -4.203 4.526 18 HZ3 LYS 2 HZ3 LYS 2 59.681 -5.131 5.205 19 H GLY 3 HN GLY 3 59.532 3.685 5.254 20 HA2 GLY 3 HA1 GLY 3 58.195 4.665 7.540 21 HA3 GLY 3 HA2 GLY 3 58.334 5.631 6.000 22 H ARG 4 HN ARG 4 57.557 4.875 4.337 23 HA ARG 4 HA ARG 4 55.847 6.478 4.955 24 HB2 ARG 4 HB2 ARG 4 55.829 4.937 2.319 25 HB3 ARG 4 HB1 ARG 4 54.855 6.403 2.581 26 HG2 ARG 4 HG2 ARG 4 56.924 7.650 3.199 27 HG3 ARG 4 HG1 ARG 4 57.887 6.187 2.877 28 HD2 ARG 4 HD2 ARG 4 56.975 6.184 0.524 29 HD3 ARG 4 HD1 ARG 4 56.199 7.749 0.875 30 HE ARG 4 HE ARG 4 59.005 7.877 1.519 31 HH11 ARG 4 HH11 ARG 4 60.502 7.984 -0.317 32 HH12 ARG 4 HH12 ARG 4 59.894 8.729 -1.757 33 HH21 ARG 4 HH21 ARG 4 56.599 8.742 -0.679 34 HH22 ARG 4 HH22 ARG 4 57.685 9.159 -1.962 35 H TRP 5 HN TRP 5 55.557 3.328 5.316 36 HA TRP 5 HA TRP 5 53.054 2.296 4.711 37 HB2 TRP 5 HB2 TRP 5 54.820 1.158 6.081 38 HB3 TRP 5 HB1 TRP 5 54.301 2.124 7.482 39 HD1 TRP 5 HD1 TRP 5 52.769 -0.341 4.913 40 HE1 TRP 5 HE1 TRP 5 50.875 -1.696 6.071 41 HE3 TRP 5 HE3 TRP 5 52.829 1.941 9.494 42 HZ2 TRP 5 HZ2 TRP 5 49.583 -1.755 8.644 43 HZ3 TRP 5 HZ3 TRP 5 51.257 1.220 11.285 44 HH2 TRP 5 HH2 TRP 5 49.636 -0.625 10.865 45 H LEU 6 HN LEU 6 53.693 5.074 6.658 46 HA LEU 6 HA LEU 6 50.786 5.221 7.439 47 HB2 LEU 6 HB2 LEU 6 52.577 4.878 9.311 48 HB3 LEU 6 HB1 LEU 6 53.046 6.555 8.966 49 HG LEU 6 HG LEU 6 50.418 7.021 9.211 50 HD11 LEU 6 HD11 LEU 6 49.413 5.545 10.959 51 HD12 LEU 6 HD12 LEU 6 50.818 4.463 10.831 52 HD13 LEU 6 HD13 LEU 6 49.724 4.671 9.444 53 HD21 LEU 6 HD21 LEU 6 52.168 7.964 10.683 54 HD22 LEU 6 HD22 LEU 6 52.222 6.440 11.603 55 HD23 LEU 6 HD23 LEU 6 50.755 7.447 11.632 56 H GLU 7 HN GLU 7 53.427 6.619 5.668 57 HA GLU 7 HA GLU 7 52.377 9.373 5.851 58 HB2 GLU 7 HB2 GLU 7 54.844 8.651 5.507 59 HB3 GLU 7 HB1 GLU 7 54.385 8.338 3.821 60 HG2 GLU 7 HG2 GLU 7 53.619 10.668 3.569 61 HG3 GLU 7 HG1 GLU 7 54.005 10.993 5.276 62 H ARG 8 HN ARG 8 51.499 6.556 4.206 63 HA ARG 8 HA ARG 8 50.900 7.372 1.591 64 HB2 ARG 8 HB2 ARG 8 49.354 5.584 3.504 65 HB3 ARG 8 HB1 ARG 8 48.920 5.775 1.788 66 HG2 ARG 8 HG2 ARG 8 51.143 4.991 1.103 67 HG3 ARG 8 HG1 ARG 8 51.651 4.875 2.804 68 HD2 ARG 8 HD2 ARG 8 51.025 2.651 2.117 69 HD3 ARG 8 HD1 ARG 8 49.713 3.254 3.158 70 HE ARG 8 HE ARG 8 49.152 3.869 0.397 71 HH11 ARG 8 HH11 ARG 8 46.903 3.033 0.326 72 HH12 ARG 8 HH12 ARG 8 46.735 1.327 0.582 73 HH21 ARG 8 HH21 ARG 8 49.973 0.916 1.754 74 HH22 ARG 8 HH22 ARG 8 48.472 0.130 1.392 75 H ILE 9 HN ILE 9 49.898 9.120 0.873 76 HA ILE 9 HA ILE 9 48.133 10.685 2.556 77 HB ILE 9 HB ILE 9 49.538 11.652 0.716 78 HG12 ILE 9 HG12 ILE 9 46.537 12.080 0.331 79 HG13 ILE 9 HG11 ILE 9 47.499 12.806 1.639 80 HG21 ILE 9 HG21 ILE 9 48.966 11.329 -1.590 81 HG22 ILE 9 HG22 ILE 9 47.448 10.496 -1.175 82 HG23 ILE 9 HG23 ILE 9 49.011 9.703 -0.873 83 HD11 ILE 9 HD1 ILE 9 49.018 13.745 -0.243 84 HD12 ILE 9 HD2 ILE 9 47.412 14.484 -0.047 85 HD13 ILE 9 HD3 ILE 9 47.696 13.308 -1.351 86 H GLY 10 HN GLY 10 47.706 8.017 0.363 87 HA2 GLY 10 HA1 GLY 10 45.125 8.328 -0.601 88 HA3 GLY 10 HA2 GLY 10 45.799 6.772 -0.082 89 H LYS 11 HN LYS 11 43.866 9.569 0.844 90 HA LYS 11 HA LYS 11 42.428 7.876 2.823 91 HB2 LYS 11 HB2 LYS 11 43.897 10.448 3.534 92 HB3 LYS 11 HB1 LYS 11 42.557 9.799 4.509 93 HG2 LYS 11 HG2 LYS 11 43.816 7.639 4.734 94 HG3 LYS 11 HG1 LYS 11 45.174 8.375 3.856 95 HD2 LYS 11 HD2 LYS 11 45.633 8.560 6.233 96 HD3 LYS 11 HD1 LYS 11 45.269 10.182 5.604 97 HE2 LYS 11 HE2 LYS 11 42.962 8.572 6.710 98 HE3 LYS 11 HE1 LYS 11 44.123 9.270 7.861 99 HZ1 LYS 11 HZ1 LYS 11 42.839 11.075 7.630 100 HZ2 LYS 11 HZ2 LYS 11 42.203 10.591 6.131 101 HZ3 LYS 11 HZ3 LYS 11 43.730 11.332 6.210 102 H ALA 12 HN ALA 12 42.397 9.848 0.230 103 HA ALA 12 HA ALA 12 40.796 11.230 -0.728 104 HB1 ALA 12 HB1 ALA 12 39.373 9.299 -0.584 105 HB2 ALA 12 HB2 ALA 12 38.412 10.712 -0.083 106 HB3 ALA 12 HB3 ALA 12 39.056 9.594 1.142 107 H GLY 13 HN GLY 13 42.235 12.668 0.908 108 HA2 GLY 13 HA1 GLY 13 41.308 13.827 3.212 109 HA3 GLY 13 HA2 GLY 13 42.103 14.760 1.929 110 H PHE 14 HN PHE 14 39.047 13.758 3.345 111 HA PHE 14 HA PHE 14 36.905 14.634 3.115 112 HB2 PHE 14 HB2 PHE 14 38.535 17.120 2.456 113 HB3 PHE 14 HB1 PHE 14 36.778 17.118 2.744 114 HD1 PHE 14 HD1 PHE 14 35.899 16.208 4.970 115 HD2 PHE 14 HD2 PHE 14 40.066 17.112 4.294 116 HE1 PHE 14 HE1 PHE 14 36.286 16.273 7.431 117 HE2 PHE 14 HE2 PHE 14 40.451 17.176 6.754 118 HZ PHE 14 HZ PHE 14 38.550 16.810 8.323 119 H ILE 15 HN ILE 15 37.652 13.126 0.967 120 HA ILE 15 HA ILE 15 37.060 12.698 -1.218 121 HB ILE 15 HB ILE 15 35.326 15.198 -1.138 122 HG12 ILE 15 HG12 ILE 15 34.701 12.387 -0.124 123 HG13 ILE 15 HG11 ILE 15 34.901 13.833 0.891 124 HG21 ILE 15 HG21 ILE 15 35.714 13.904 -3.306 125 HG22 ILE 15 HG22 ILE 15 34.019 14.064 -2.800 126 HG23 ILE 15 HG23 ILE 15 34.887 12.532 -2.535 127 HD11 ILE 15 HD1 ILE 15 33.006 14.868 -0.589 128 HD12 ILE 15 HD2 ILE 15 32.553 13.660 0.637 129 HD13 ILE 15 HD3 ILE 15 32.679 13.186 -1.073 130 H ILE 16 HN ILE 16 39.280 13.212 -1.765 131 HA ILE 16 HA ILE 16 39.350 15.426 -3.739 132 HB ILE 16 HB ILE 16 40.207 16.517 -1.710 133 HG12 ILE 16 HG12 ILE 16 42.460 17.176 -2.540 134 HG13 ILE 16 HG11 ILE 16 42.444 15.813 -3.675 135 HG21 ILE 16 HG21 ILE 16 42.505 14.551 -1.608 136 HG22 ILE 16 HG22 ILE 16 40.997 14.216 -0.731 137 HG23 ILE 16 HG23 ILE 16 41.941 15.678 -0.360 138 HD11 ILE 16 HD1 ILE 16 40.768 16.780 -5.023 139 HD12 ILE 16 HD2 ILE 16 41.692 18.209 -4.506 140 HD13 ILE 16 HD3 ILE 16 40.156 17.808 -3.702 141 H ILE 17 HN ILE 17 40.794 12.525 -2.257 142 HA ILE 17 HA ILE 17 42.334 12.027 -4.802 143 HB ILE 17 HB ILE 17 42.366 10.367 -2.236 144 HG12 ILE 17 HG12 ILE 17 43.352 12.403 -1.528 145 HG13 ILE 17 HG11 ILE 17 44.740 11.418 -2.004 146 HG21 ILE 17 HG21 ILE 17 44.034 10.376 -4.780 147 HG22 ILE 17 HG22 ILE 17 43.015 9.072 -4.139 148 HG23 ILE 17 HG23 ILE 17 44.518 9.513 -3.302 149 HD11 ILE 17 HD1 ILE 17 44.629 12.564 -4.291 150 HD12 ILE 17 HD2 ILE 17 45.096 13.608 -2.934 151 HD13 ILE 17 HD3 ILE 17 43.444 13.680 -3.581 152 H GLY 18 HN GLY 18 39.790 10.829 -2.655 153 HA2 GLY 18 HA1 GLY 18 39.283 8.427 -4.203 154 HA3 GLY 18 HA2 GLY 18 38.241 9.126 -2.946 155 H GLY 19 HN GLY 19 37.413 11.480 -3.750 156 HA2 GLY 19 HA1 GLY 19 35.596 10.848 -5.898 157 HA3 GLY 19 HA2 GLY 19 35.823 12.437 -5.144 158 H ALA 20 HN ALA 20 38.526 12.893 -5.687 159 HA ALA 20 HA ALA 20 39.754 13.923 -7.371 160 HB1 ALA 20 HB1 ALA 20 40.274 11.534 -7.767 161 HB2 ALA 20 HB2 ALA 20 40.307 12.488 -9.268 162 HB3 ALA 20 HB3 ALA 20 38.913 11.441 -8.908 163 H LEU 21 HN LEU 21 37.095 14.861 -7.183 164 HA LEU 21 HA LEU 21 35.824 14.935 -9.780 165 HB2 LEU 21 HB2 LEU 21 35.565 17.036 -7.600 166 HB3 LEU 21 HB1 LEU 21 34.366 16.571 -8.830 167 HG LEU 21 HG LEU 21 35.375 14.788 -6.566 168 HD11 LEU 21 HD11 LEU 21 33.062 15.057 -5.697 169 HD12 LEU 21 HD12 LEU 21 32.703 16.190 -7.022 170 HD13 LEU 21 HD13 LEU 21 33.912 16.618 -5.787 171 HD21 LEU 21 HD21 LEU 21 33.338 13.392 -7.373 172 HD22 LEU 21 HD22 LEU 21 34.798 13.349 -8.386 173 HD23 LEU 21 HD23 LEU 21 33.416 14.365 -8.861 174 H ASP 22 HN ASP 22 38.440 16.713 -8.281 175 HA ASP 22 HA ASP 22 38.294 18.978 -10.122 176 HB2 ASP 22 HB2 ASP 22 39.292 19.138 -7.853 177 HB3 ASP 22 HB1 ASP 22 40.591 18.036 -8.363 178 H HIS 23 HN HIS 23 38.282 16.374 -11.410 179 HA HIS 23 HA HIS 23 39.286 15.303 -13.201 180 HB2 HIS 23 HB2 HIS 23 39.049 17.611 -14.132 181 HB3 HIS 23 HB1 HIS 23 40.706 17.965 -13.587 182 HD1 HIS 23 HD1 HIS 23 42.139 17.938 -15.637 183 HD2 HIS 23 HD2 HIS 23 39.485 14.679 -15.504 184 HE1 HIS 23 HE1 HIS 23 42.657 16.452 -17.650 185 H LEU 24 HN LEU 24 40.669 15.248 -10.537 186 HA LEU 24 HA LEU 24 43.541 15.157 -11.260 187 HB2 LEU 24 HB2 LEU 24 42.016 14.442 -8.726 188 HB3 LEU 24 HB1 LEU 24 43.782 14.336 -8.887 189 HG LEU 24 HG LEU 24 42.312 16.926 -9.531 190 HD11 LEU 24 HD11 LEU 24 41.648 16.241 -7.232 191 HD12 LEU 24 HD12 LEU 24 42.712 17.668 -7.210 192 HD13 LEU 24 HD13 LEU 24 43.366 16.065 -6.799 193 HD21 LEU 24 HD21 LEU 24 45.161 16.196 -8.698 194 HD22 LEU 24 HD22 LEU 24 44.555 17.866 -8.731 195 HD23 LEU 24 HD23 LEU 24 44.628 16.922 -10.232 Start of MODEL 54 1 H1 GLY 1 HT1 GLY 1 60.519 1.272 0.676 2 H2 GLY 1 HT2 GLY 1 61.388 -0.077 1.236 3 H3 GLY 1 HT3 GLY 1 62.211 1.332 0.761 4 HA2 GLY 1 HA1 GLY 1 61.067 0.639 3.249 5 HA3 GLY 1 HA2 GLY 1 62.219 1.927 2.841 6 H LYS 2 HN LYS 2 59.274 1.807 1.030 7 HA LYS 2 HA LYS 2 57.913 3.761 2.835 8 HB2 LYS 2 HB2 LYS 2 58.443 4.369 -0.098 9 HB3 LYS 2 HB1 LYS 2 57.668 5.427 1.107 10 HG2 LYS 2 HG2 LYS 2 59.849 5.307 2.437 11 HG3 LYS 2 HG1 LYS 2 60.579 4.536 1.010 12 HD2 LYS 2 HD2 LYS 2 59.275 7.292 1.123 13 HD3 LYS 2 HD1 LYS 2 61.012 6.949 0.950 14 HE2 LYS 2 HE2 LYS 2 58.779 6.496 -1.056 15 HE3 LYS 2 HE1 LYS 2 60.312 7.371 -1.272 16 HZ1 LYS 2 HZ1 LYS 2 60.246 5.129 -2.315 17 HZ2 LYS 2 HZ2 LYS 2 60.137 4.444 -0.764 18 HZ3 LYS 2 HZ3 LYS 2 61.514 5.335 -1.208 19 H GLY 3 HN GLY 3 56.029 4.603 0.904 20 HA2 GLY 3 HA1 GLY 3 54.581 3.124 -0.758 21 HA3 GLY 3 HA2 GLY 3 54.364 2.064 0.709 22 H ARG 4 HN ARG 4 54.360 2.869 2.499 23 HA ARG 4 HA ARG 4 51.978 2.615 2.126 24 HB2 ARG 4 HB2 ARG 4 53.152 3.496 4.802 25 HB3 ARG 4 HB1 ARG 4 51.499 2.854 4.629 26 HG2 ARG 4 HG2 ARG 4 52.417 0.791 3.586 27 HG3 ARG 4 HG1 ARG 4 54.066 1.425 3.795 28 HD2 ARG 4 HD2 ARG 4 52.122 1.059 6.110 29 HD3 ARG 4 HD1 ARG 4 53.287 -0.190 5.611 30 HE ARG 4 HE ARG 4 54.604 2.358 6.024 31 HH11 ARG 4 HH11 ARG 4 55.768 2.639 7.943 32 HH12 ARG 4 HH12 ARG 4 55.628 1.459 9.204 33 HH21 ARG 4 HH21 ARG 4 53.310 -0.475 7.501 34 HH22 ARG 4 HH22 ARG 4 54.236 -0.303 8.955 35 H TRP 5 HN TRP 5 53.523 5.393 1.975 36 HA TRP 5 HA TRP 5 52.163 7.549 3.089 37 HB2 TRP 5 HB2 TRP 5 54.096 7.654 1.470 38 HB3 TRP 5 HB1 TRP 5 52.927 7.406 0.149 39 HD1 TRP 5 HD1 TRP 5 53.069 9.749 3.253 40 HE1 TRP 5 HE1 TRP 5 52.388 12.149 2.519 41 HE3 TRP 5 HE3 TRP 5 52.230 8.866 -1.719 42 HZ2 TRP 5 HZ2 TRP 5 51.593 13.474 0.088 43 HZ3 TRP 5 HZ3 TRP 5 51.511 10.711 -3.227 44 HH2 TRP 5 HH2 TRP 5 51.192 13.013 -2.328 45 H LEU 6 HN LEU 6 50.905 5.216 0.880 46 HA LEU 6 HA LEU 6 48.441 6.872 0.381 47 HB2 LEU 6 HB2 LEU 6 49.289 4.317 -1.033 48 HB3 LEU 6 HB1 LEU 6 48.034 5.477 -1.527 49 HG LEU 6 HG LEU 6 51.015 6.113 -1.339 50 HD11 LEU 6 HD11 LEU 6 50.958 6.080 -3.804 51 HD12 LEU 6 HD12 LEU 6 49.239 5.614 -3.767 52 HD13 LEU 6 HD13 LEU 6 50.479 4.497 -3.147 53 HD21 LEU 6 HD21 LEU 6 48.556 7.680 -2.222 54 HD22 LEU 6 HD22 LEU 6 50.191 8.115 -2.774 55 HD23 LEU 6 HD23 LEU 6 49.799 8.151 -1.040 56 H GLU 7 HN GLU 7 49.751 3.981 1.934 57 HA GLU 7 HA GLU 7 47.023 2.851 2.338 58 HB2 GLU 7 HB2 GLU 7 49.163 1.483 1.883 59 HB3 GLU 7 HB1 GLU 7 49.635 1.873 3.551 60 HG2 GLU 7 HG2 GLU 7 47.618 0.808 4.427 61 HG3 GLU 7 HG1 GLU 7 46.999 0.541 2.780 62 H ARG 8 HN ARG 8 48.918 5.248 3.695 63 HA ARG 8 HA ARG 8 48.520 4.751 6.508 64 HB2 ARG 8 HB2 ARG 8 50.195 6.345 5.525 65 HB3 ARG 8 HB1 ARG 8 48.847 7.426 5.096 66 HG2 ARG 8 HG2 ARG 8 48.204 7.644 7.438 67 HG3 ARG 8 HG1 ARG 8 49.420 6.437 7.922 68 HD2 ARG 8 HD2 ARG 8 51.199 7.958 6.955 69 HD3 ARG 8 HD1 ARG 8 49.935 9.188 6.716 70 HE ARG 8 HE ARG 8 49.694 8.502 9.396 71 HH11 ARG 8 HH11 ARG 8 50.349 10.680 10.290 72 HH12 ARG 8 HH12 ARG 8 52.052 10.989 10.234 73 HH21 ARG 8 HH21 ARG 8 52.720 8.390 8.036 74 HH22 ARG 8 HH22 ARG 8 53.396 9.693 8.958 75 H ILE 9 HN ILE 9 46.796 6.851 4.149 76 HA ILE 9 HA ILE 9 44.246 6.312 5.425 77 HB ILE 9 HB ILE 9 45.272 7.928 7.080 78 HG12 ILE 9 HG12 ILE 9 42.850 8.904 5.495 79 HG13 ILE 9 HG11 ILE 9 42.825 7.716 6.818 80 HG21 ILE 9 HG21 ILE 9 45.714 10.195 6.475 81 HG22 ILE 9 HG22 ILE 9 44.926 10.011 4.888 82 HG23 ILE 9 HG23 ILE 9 46.490 9.221 5.205 83 HD11 ILE 9 HD1 ILE 9 42.220 9.768 7.855 84 HD12 ILE 9 HD2 ILE 9 43.449 10.686 6.956 85 HD13 ILE 9 HD3 ILE 9 43.944 9.572 8.254 86 H GLY 10 HN GLY 10 46.153 8.613 3.455 87 HA2 GLY 10 HA1 GLY 10 45.770 9.293 1.264 88 HA3 GLY 10 HA2 GLY 10 44.386 8.187 1.179 89 H LYS 11 HN LYS 11 42.917 9.198 3.400 90 HA LYS 11 HA LYS 11 41.693 11.518 2.088 91 HB2 LYS 11 HB2 LYS 11 41.038 10.246 4.775 92 HB3 LYS 11 HB1 LYS 11 39.993 11.309 3.806 93 HG2 LYS 11 HG2 LYS 11 40.118 9.590 1.944 94 HG3 LYS 11 HG1 LYS 11 40.948 8.507 3.087 95 HD2 LYS 11 HD2 LYS 11 39.025 8.578 4.609 96 HD3 LYS 11 HD1 LYS 11 38.201 9.748 3.550 97 HE2 LYS 11 HE2 LYS 11 38.257 8.055 1.702 98 HE3 LYS 11 HE1 LYS 11 38.964 6.882 2.839 99 HZ1 LYS 11 HZ1 LYS 11 36.251 8.023 2.777 100 HZ2 LYS 11 HZ2 LYS 11 36.912 7.568 4.274 101 HZ3 LYS 11 HZ3 LYS 11 36.743 6.421 3.033 102 H ALA 12 HN ALA 12 43.528 12.983 2.242 103 HA ALA 12 HA ALA 12 44.408 13.822 4.918 104 HB1 ALA 12 HB1 ALA 12 45.827 15.347 3.776 105 HB2 ALA 12 HB2 ALA 12 44.823 15.311 2.307 106 HB3 ALA 12 HB3 ALA 12 45.789 13.887 2.761 107 H GLY 13 HN GLY 13 41.511 13.983 3.785 108 HA2 GLY 13 HA1 GLY 13 39.718 15.395 4.187 109 HA3 GLY 13 HA2 GLY 13 40.776 16.337 5.257 110 H PHE 14 HN PHE 14 41.868 15.844 2.020 111 HA PHE 14 HA PHE 14 40.679 18.395 1.042 112 HB2 PHE 14 HB2 PHE 14 43.684 17.928 1.255 113 HB3 PHE 14 HB1 PHE 14 42.902 19.288 0.415 114 HD1 PHE 14 HD1 PHE 14 41.040 20.558 1.904 115 HD2 PHE 14 HD2 PHE 14 44.370 18.306 3.485 116 HE1 PHE 14 HE1 PHE 14 40.875 21.814 4.047 117 HE2 PHE 14 HE2 PHE 14 44.201 19.565 5.627 118 HZ PHE 14 HZ PHE 14 42.466 21.333 5.900 119 H ILE 15 HN ILE 15 43.142 15.857 0.369 120 HA ILE 15 HA ILE 15 42.573 15.994 -2.508 121 HB ILE 15 HB ILE 15 44.185 14.138 -2.702 122 HG12 ILE 15 HG12 ILE 15 44.073 14.217 0.349 123 HG13 ILE 15 HG11 ILE 15 43.624 12.857 -0.703 124 HG21 ILE 15 HG21 ILE 15 45.249 16.166 -0.694 125 HG22 ILE 15 HG22 ILE 15 44.890 16.591 -2.385 126 HG23 ILE 15 HG23 ILE 15 46.129 15.368 -2.019 127 HD11 ILE 15 HD1 ILE 15 46.075 12.960 -1.565 128 HD12 ILE 15 HD2 ILE 15 45.801 12.301 0.065 129 HD13 ILE 15 HD3 ILE 15 46.391 13.967 -0.132 130 H ILE 16 HN ILE 16 40.339 15.400 -0.759 131 HA ILE 16 HA ILE 16 39.465 12.917 -2.129 132 HB ILE 16 HB ILE 16 40.491 12.277 0.115 133 HG12 ILE 16 HG12 ILE 16 38.252 11.021 0.846 134 HG13 ILE 16 HG11 ILE 16 37.591 11.729 -0.644 135 HG21 ILE 16 HG21 ILE 16 39.395 12.883 2.152 136 HG22 ILE 16 HG22 ILE 16 38.005 13.577 1.288 137 HG23 ILE 16 HG23 ILE 16 39.584 14.398 1.241 138 HD11 ILE 16 HD1 ILE 16 39.274 10.604 -1.997 139 HD12 ILE 16 HD2 ILE 16 38.543 9.398 -0.917 140 HD13 ILE 16 HD3 ILE 16 40.149 10.062 -0.546 141 H ILE 17 HN ILE 17 38.666 15.552 0.164 142 HA ILE 17 HA ILE 17 35.814 15.363 -0.375 143 HB ILE 17 HB ILE 17 35.767 17.719 0.676 144 HG12 ILE 17 HG12 ILE 17 37.857 18.324 1.945 145 HG13 ILE 17 HG11 ILE 17 38.726 17.052 1.068 146 HG21 ILE 17 HG21 ILE 17 35.406 15.576 1.934 147 HG22 ILE 17 HG22 ILE 17 36.142 16.858 2.923 148 HG23 ILE 17 HG23 ILE 17 37.148 15.535 2.290 149 HD11 ILE 17 HD1 ILE 17 38.659 18.222 -0.971 150 HD12 ILE 17 HD2 ILE 17 38.794 19.561 0.189 151 HD13 ILE 17 HD3 ILE 17 37.212 19.153 -0.512 152 H GLY 18 HN GLY 18 38.285 16.108 -2.362 153 HA2 GLY 18 HA1 GLY 18 36.523 17.459 -4.257 154 HA3 GLY 18 HA2 GLY 18 37.805 18.514 -3.628 155 H GLY 19 HN GLY 19 39.871 16.582 -3.343 156 HA2 GLY 19 HA1 GLY 19 40.789 16.526 -6.097 157 HA3 GLY 19 HA2 GLY 19 41.632 15.869 -4.681 158 H ALA 20 HN ALA 20 39.280 14.227 -3.910 159 HA ALA 20 HA ALA 20 38.641 12.022 -4.217 160 HB1 ALA 20 HB1 ALA 20 38.601 12.976 -7.098 161 HB2 ALA 20 HB2 ALA 20 37.240 12.935 -5.950 162 HB3 ALA 20 HB3 ALA 20 37.944 11.415 -6.553 163 H LEU 21 HN LEU 21 41.617 13.045 -4.885 164 HA LEU 21 HA LEU 21 43.609 12.022 -5.496 165 HB2 LEU 21 HB2 LEU 21 42.842 10.702 -3.469 166 HB3 LEU 21 HB1 LEU 21 42.192 9.487 -4.587 167 HG LEU 21 HG LEU 21 44.665 9.567 -5.626 168 HD11 LEU 21 HD11 LEU 21 45.087 10.529 -2.759 169 HD12 LEU 21 HD12 LEU 21 45.493 11.428 -4.240 170 HD13 LEU 21 HD13 LEU 21 46.369 9.934 -3.837 171 HD21 LEU 21 HD21 LEU 21 43.963 8.216 -2.982 172 HD22 LEU 21 HD22 LEU 21 45.351 7.778 -4.006 173 HD23 LEU 21 HD23 LEU 21 43.693 7.562 -4.615 174 H ASP 22 HN ASP 22 42.708 8.841 -6.134 175 HA ASP 22 HA ASP 22 42.658 7.615 -8.091 176 HB2 ASP 22 HB2 ASP 22 41.190 10.049 -9.183 177 HB3 ASP 22 HB1 ASP 22 41.198 8.417 -9.892 178 H HIS 23 HN HIS 23 42.774 10.814 -9.683 179 HA HIS 23 HA HIS 23 45.639 10.499 -10.310 180 HB2 HIS 23 HB2 HIS 23 45.287 10.485 -12.764 181 HB3 HIS 23 HB1 HIS 23 44.640 9.016 -11.995 182 HD1 HIS 23 HD1 HIS 23 41.926 9.611 -11.081 183 HD2 HIS 23 HD2 HIS 23 43.429 11.290 -14.632 184 HE1 HIS 23 HE1 HIS 23 39.922 10.344 -12.487 185 H LEU 24 HN LEU 24 42.936 12.305 -9.651 186 HA LEU 24 HA LEU 24 43.587 14.661 -11.289 187 HB2 LEU 24 HB2 LEU 24 41.822 14.575 -8.818 188 HB3 LEU 24 HB1 LEU 24 41.752 15.709 -10.187 189 HG LEU 24 HG LEU 24 41.102 12.728 -10.247 190 HD11 LEU 24 HD11 LEU 24 39.406 14.332 -9.251 191 HD12 LEU 24 HD12 LEU 24 38.835 13.461 -10.695 192 HD13 LEU 24 HD13 LEU 24 39.355 15.158 -10.828 193 HD21 LEU 24 HD21 LEU 24 40.363 13.368 -12.659 194 HD22 LEU 24 HD22 LEU 24 42.107 13.183 -12.366 195 HD23 LEU 24 HD23 LEU 24 41.387 14.810 -12.455 Start of MODEL 55 1 H1 GLY 1 HT1 GLY 1 59.601 -0.133 -1.497 2 H2 GLY 1 HT2 GLY 1 59.247 -1.792 -1.597 3 H3 GLY 1 HT3 GLY 1 59.850 -1.133 -0.152 4 HA2 GLY 1 HA1 GLY 1 57.381 -0.078 -1.273 5 HA3 GLY 1 HA2 GLY 1 57.354 -1.642 -0.437 6 H LYS 2 HN LYS 2 55.956 -0.633 1.126 7 HA LYS 2 HA LYS 2 55.538 0.499 3.115 8 HB2 LYS 2 HB2 LYS 2 58.499 0.056 3.657 9 HB3 LYS 2 HB1 LYS 2 57.182 0.197 4.845 10 HG2 LYS 2 HG2 LYS 2 56.140 -1.870 3.824 11 HG3 LYS 2 HG1 LYS 2 57.606 -2.049 2.829 12 HD2 LYS 2 HD2 LYS 2 58.966 -2.049 4.958 13 HD3 LYS 2 HD1 LYS 2 57.439 -2.075 5.873 14 HE2 LYS 2 HE2 LYS 2 58.370 -4.364 5.576 15 HE3 LYS 2 HE1 LYS 2 56.794 -4.186 4.770 16 HZ1 LYS 2 HZ1 LYS 2 59.418 -3.864 3.405 17 HZ2 LYS 2 HZ2 LYS 2 57.883 -3.884 2.679 18 HZ3 LYS 2 HZ3 LYS 2 58.507 -5.294 3.392 19 H GLY 3 HN GLY 3 57.815 1.931 4.579 20 HA2 GLY 3 HA1 GLY 3 58.125 4.308 4.890 21 HA3 GLY 3 HA2 GLY 3 58.836 4.153 3.189 22 H ARG 4 HN ARG 4 56.549 3.952 5.292 23 HA ARG 4 HA ARG 4 56.017 6.047 5.533 24 HB2 ARG 4 HB2 ARG 4 54.536 5.632 2.990 25 HB3 ARG 4 HB1 ARG 4 53.559 6.458 4.224 26 HG2 ARG 4 HG2 ARG 4 54.823 8.403 4.179 27 HG3 ARG 4 HG1 ARG 4 56.345 7.565 3.838 28 HD2 ARG 4 HD2 ARG 4 55.698 8.891 1.889 29 HD3 ARG 4 HD1 ARG 4 55.533 7.166 1.484 30 HE ARG 4 HE ARG 4 53.038 8.209 2.498 31 HH11 ARG 4 HH11 ARG 4 53.867 6.508 -0.024 32 HH12 ARG 4 HH12 ARG 4 53.181 7.499 -1.267 33 HH21 ARG 4 HH21 ARG 4 52.699 10.233 0.813 34 HH22 ARG 4 HH22 ARG 4 52.520 9.608 -0.794 35 H TRP 5 HN TRP 5 55.066 3.014 5.350 36 HA TRP 5 HA TRP 5 52.492 2.568 6.206 37 HB2 TRP 5 HB2 TRP 5 54.393 0.876 6.026 38 HB3 TRP 5 HB1 TRP 5 54.876 1.375 7.665 39 HD1 TRP 5 HD1 TRP 5 53.758 0.105 9.566 40 HE1 TRP 5 HE1 TRP 5 51.656 -1.399 9.861 41 HE3 TRP 5 HE3 TRP 5 51.760 0.582 4.876 42 HZ2 TRP 5 HZ2 TRP 5 49.426 -2.259 8.254 43 HZ3 TRP 5 HZ3 TRP 5 49.645 -0.590 4.278 44 HH2 TRP 5 HH2 TRP 5 48.477 -2.008 5.961 45 H LEU 6 HN LEU 6 54.976 4.331 7.873 46 HA LEU 6 HA LEU 6 53.406 4.449 10.419 47 HB2 LEU 6 HB2 LEU 6 56.235 5.183 9.599 48 HB3 LEU 6 HB1 LEU 6 55.526 5.838 11.093 49 HG LEU 6 HG LEU 6 55.048 3.523 11.869 50 HD11 LEU 6 HD11 LEU 6 56.303 1.671 10.560 51 HD12 LEU 6 HD12 LEU 6 56.340 2.825 9.205 52 HD13 LEU 6 HD13 LEU 6 54.783 2.270 9.862 53 HD21 LEU 6 HD21 LEU 6 57.398 2.900 12.319 54 HD22 LEU 6 HD22 LEU 6 57.181 4.662 12.460 55 HD23 LEU 6 HD23 LEU 6 57.941 3.971 11.006 56 H GLU 7 HN GLU 7 54.269 6.336 7.536 57 HA GLU 7 HA GLU 7 52.829 8.706 8.762 58 HB2 GLU 7 HB2 GLU 7 55.378 8.879 8.185 59 HB3 GLU 7 HB1 GLU 7 54.840 8.902 6.493 60 HG2 GLU 7 HG2 GLU 7 54.982 11.201 7.172 61 HG3 GLU 7 HG1 GLU 7 53.249 10.807 7.169 62 H ARG 8 HN ARG 8 51.605 6.432 7.467 63 HA ARG 8 HA ARG 8 50.972 7.252 4.716 64 HB2 ARG 8 HB2 ARG 8 51.046 4.859 5.470 65 HB3 ARG 8 HB1 ARG 8 49.632 5.178 6.498 66 HG2 ARG 8 HG2 ARG 8 48.883 4.177 4.398 67 HG3 ARG 8 HG1 ARG 8 48.342 5.868 4.459 68 HD2 ARG 8 HD2 ARG 8 51.008 5.304 3.151 69 HD3 ARG 8 HD1 ARG 8 49.530 4.858 2.266 70 HE ARG 8 HE ARG 8 49.383 7.564 3.322 71 HH11 ARG 8 HH11 ARG 8 49.092 5.793 0.565 72 HH12 ARG 8 HH12 ARG 8 49.836 6.939 -0.499 73 HH21 ARG 8 HH21 ARG 8 51.014 8.955 2.065 74 HH22 ARG 8 HH22 ARG 8 50.925 8.729 0.350 75 H ILE 9 HN ILE 9 50.133 9.364 4.956 76 HA ILE 9 HA ILE 9 48.107 10.149 6.753 77 HB ILE 9 HB ILE 9 49.350 11.709 5.250 78 HG12 ILE 9 HG12 ILE 9 46.318 11.843 4.885 79 HG13 ILE 9 HG11 ILE 9 47.179 12.333 6.362 80 HG21 ILE 9 HG21 ILE 9 48.876 11.881 2.922 81 HG22 ILE 9 HG22 ILE 9 47.428 10.856 3.048 82 HG23 ILE 9 HG23 ILE 9 49.047 10.136 3.213 83 HD11 ILE 9 HD1 ILE 9 47.361 13.570 3.589 84 HD12 ILE 9 HD2 ILE 9 48.561 13.903 4.862 85 HD13 ILE 9 HD3 ILE 9 46.855 14.345 5.107 86 H GLY 10 HN GLY 10 47.812 8.674 3.503 87 HA2 GLY 10 HA1 GLY 10 46.069 7.430 2.618 88 HA3 GLY 10 HA2 GLY 10 45.334 7.380 4.232 89 H LYS 11 HN LYS 11 44.302 9.494 4.962 90 HA LYS 11 HA LYS 11 42.173 10.137 3.254 91 HB2 LYS 11 HB2 LYS 11 43.453 11.847 5.422 92 HB3 LYS 11 HB1 LYS 11 41.846 12.130 4.710 93 HG2 LYS 11 HG2 LYS 11 41.019 10.015 5.535 94 HG3 LYS 11 HG1 LYS 11 42.652 9.507 6.032 95 HD2 LYS 11 HD2 LYS 11 42.742 11.210 7.749 96 HD3 LYS 11 HD1 LYS 11 41.233 11.953 7.164 97 HE2 LYS 11 HE2 LYS 11 40.888 10.510 9.188 98 HE3 LYS 11 HE1 LYS 11 39.960 9.956 7.775 99 HZ1 LYS 11 HZ1 LYS 11 41.349 8.270 9.140 100 HZ2 LYS 11 HZ2 LYS 11 42.667 8.891 8.268 101 HZ3 LYS 11 HZ3 LYS 11 41.362 8.177 7.447 102 H ALA 12 HN ALA 12 42.360 10.858 1.228 103 HA ALA 12 HA ALA 12 44.528 12.653 0.434 104 HB1 ALA 12 HB1 ALA 12 43.577 12.516 -1.755 105 HB2 ALA 12 HB2 ALA 12 42.008 11.975 -1.112 106 HB3 ALA 12 HB3 ALA 12 43.424 10.899 -1.028 107 H GLY 13 HN GLY 13 42.978 13.695 2.593 108 HA2 GLY 13 HA1 GLY 13 42.156 15.779 3.190 109 HA3 GLY 13 HA2 GLY 13 42.445 16.325 1.527 110 H PHE 14 HN PHE 14 40.221 14.329 3.498 111 HA PHE 14 HA PHE 14 37.940 13.966 3.273 112 HB2 PHE 14 HB2 PHE 14 38.046 16.452 3.780 113 HB3 PHE 14 HB1 PHE 14 37.895 16.743 2.030 114 HD1 PHE 14 HD1 PHE 14 36.240 15.003 4.922 115 HD2 PHE 14 HD2 PHE 14 35.748 16.716 0.991 116 HE1 PHE 14 HE1 PHE 14 33.774 14.712 5.104 117 HE2 PHE 14 HE2 PHE 14 33.281 16.425 1.173 118 HZ PHE 14 HZ PHE 14 32.302 15.349 3.197 119 H ILE 15 HN ILE 15 39.741 13.246 1.008 120 HA ILE 15 HA ILE 15 39.520 12.417 -1.123 121 HB ILE 15 HB ILE 15 36.502 12.733 -0.840 122 HG12 ILE 15 HG12 ILE 15 38.308 10.518 0.241 123 HG13 ILE 15 HG11 ILE 15 37.371 11.674 1.217 124 HG21 ILE 15 HG21 ILE 15 36.393 10.902 -2.382 125 HG22 ILE 15 HG22 ILE 15 38.124 10.532 -2.182 126 HG23 ILE 15 HG23 ILE 15 37.620 12.007 -3.037 127 HD11 ILE 15 HD1 ILE 15 35.294 10.775 -0.081 128 HD12 ILE 15 HD2 ILE 15 36.008 9.732 1.172 129 HD13 ILE 15 HD3 ILE 15 36.352 9.420 -0.545 130 H ILE 16 HN ILE 16 40.411 14.694 -1.316 131 HA ILE 16 HA ILE 16 38.784 16.141 -3.394 132 HB ILE 16 HB ILE 16 40.541 17.315 -1.205 133 HG12 ILE 16 HG12 ILE 16 38.128 16.498 -0.624 134 HG13 ILE 16 HG11 ILE 16 38.599 18.136 -0.138 135 HG21 ILE 16 HG21 ILE 16 40.822 18.654 -3.186 136 HG22 ILE 16 HG22 ILE 16 39.671 19.528 -2.153 137 HG23 ILE 16 HG23 ILE 16 39.083 18.599 -3.553 138 HD11 ILE 16 HD1 ILE 16 36.288 17.921 -1.205 139 HD12 ILE 16 HD2 ILE 16 37.109 17.562 -2.737 140 HD13 ILE 16 HD3 ILE 16 37.356 19.132 -1.943 141 H ILE 17 HN ILE 17 42.014 15.698 -1.885 142 HA ILE 17 HA ILE 17 43.458 16.613 -4.219 143 HB ILE 17 HB ILE 17 44.247 14.936 -1.791 144 HG12 ILE 17 HG12 ILE 17 45.519 16.932 -1.182 145 HG13 ILE 17 HG11 ILE 17 45.140 17.696 -2.742 146 HG21 ILE 17 HG21 ILE 17 46.648 15.336 -2.647 147 HG22 ILE 17 HG22 ILE 17 45.909 15.705 -4.225 148 HG23 ILE 17 HG23 ILE 17 45.705 14.092 -3.500 149 HD11 ILE 17 HD1 ILE 17 42.945 16.822 -0.830 150 HD12 ILE 17 HD2 ILE 17 42.851 17.986 -2.174 151 HD13 ILE 17 HD3 ILE 17 43.729 18.411 -0.688 152 H GLY 18 HN GLY 18 42.507 13.424 -2.935 153 HA2 GLY 18 HA1 GLY 18 43.575 12.021 -5.288 154 HA3 GLY 18 HA2 GLY 18 42.674 11.312 -3.929 155 H GLY 19 HN GLY 19 40.416 12.991 -3.942 156 HA2 GLY 19 HA1 GLY 19 38.779 11.666 -5.849 157 HA3 GLY 19 HA2 GLY 19 38.346 13.139 -4.960 158 H ALA 20 HN ALA 20 40.387 14.849 -5.952 159 HA ALA 20 HA ALA 20 39.123 15.586 -8.479 160 HB1 ALA 20 HB1 ALA 20 39.987 17.204 -6.762 161 HB2 ALA 20 HB2 ALA 20 40.574 17.503 -8.414 162 HB3 ALA 20 HB3 ALA 20 41.637 16.722 -7.219 163 H LEU 21 HN LEU 21 40.309 12.979 -8.589 164 HA LEU 21 HA LEU 21 42.882 13.132 -9.909 165 HB2 LEU 21 HB2 LEU 21 42.238 11.067 -8.840 166 HB3 LEU 21 HB1 LEU 21 40.729 10.983 -9.773 167 HG LEU 21 HG LEU 21 41.936 10.552 -11.832 168 HD11 LEU 21 HD11 LEU 21 44.384 11.252 -10.165 169 HD12 LEU 21 HD12 LEU 21 43.853 11.966 -11.706 170 HD13 LEU 21 HD13 LEU 21 44.517 10.317 -11.674 171 HD21 LEU 21 HD21 LEU 21 41.610 8.668 -10.160 172 HD22 LEU 21 HD22 LEU 21 43.293 8.928 -9.639 173 HD23 LEU 21 HD23 LEU 21 42.946 8.416 -11.309 174 H ASP 22 HN ASP 22 43.164 14.175 -11.774 175 HA ASP 22 HA ASP 22 42.799 14.889 -13.950 176 HB2 ASP 22 HB2 ASP 22 42.952 12.424 -14.345 177 HB3 ASP 22 HB1 ASP 22 41.182 12.322 -14.190 178 H HIS 23 HN HIS 23 41.043 15.912 -11.964 179 HA HIS 23 HA HIS 23 39.017 17.027 -11.761 180 HB2 HIS 23 HB2 HIS 23 40.018 18.133 -13.799 181 HB3 HIS 23 HB1 HIS 23 39.054 17.024 -14.805 182 HD1 HIS 23 HD1 HIS 23 38.215 19.115 -11.674 183 HD2 HIS 23 HD2 HIS 23 36.784 18.385 -15.562 184 HE1 HIS 23 HE1 HIS 23 36.078 20.485 -11.969 185 H LEU 24 HN LEU 24 38.674 14.369 -11.398 186 HA LEU 24 HA LEU 24 35.896 14.036 -12.118 187 HB2 LEU 24 HB2 LEU 24 37.337 13.367 -14.239 188 HB3 LEU 24 HB1 LEU 24 37.664 11.888 -13.322 189 HG LEU 24 HG LEU 24 35.769 11.422 -14.709 190 HD11 LEU 24 HD11 LEU 24 34.576 12.082 -11.984 191 HD12 LEU 24 HD12 LEU 24 35.655 10.700 -12.283 192 HD13 LEU 24 HD13 LEU 24 34.087 10.800 -13.113 193 HD21 LEU 24 HD21 LEU 24 33.907 12.813 -15.080 194 HD22 LEU 24 HD22 LEU 24 35.223 13.997 -14.956 195 HD23 LEU 24 HD23 LEU 24 34.138 13.727 -13.576 Start of MODEL 56 1 H1 GLY 1 HT1 GLY 1 59.708 5.416 6.764 2 H2 GLY 1 HT2 GLY 1 59.719 4.088 7.824 3 H3 GLY 1 HT3 GLY 1 58.280 4.949 7.548 4 HA2 GLY 1 HA1 GLY 1 59.751 3.534 5.434 5 HA3 GLY 1 HA2 GLY 1 58.478 2.773 6.411 6 H LYS 2 HN LYS 2 59.090 5.757 4.508 7 HA LYS 2 HA LYS 2 56.308 6.294 4.035 8 HB2 LYS 2 HB2 LYS 2 58.507 7.754 3.665 9 HB3 LYS 2 HB1 LYS 2 58.455 7.061 2.033 10 HG2 LYS 2 HG2 LYS 2 57.151 8.984 1.708 11 HG3 LYS 2 HG1 LYS 2 55.887 7.808 2.128 12 HD2 LYS 2 HD2 LYS 2 55.334 9.576 3.566 13 HD3 LYS 2 HD1 LYS 2 56.384 8.612 4.626 14 HE2 LYS 2 HE2 LYS 2 57.003 10.996 4.736 15 HE3 LYS 2 HE1 LYS 2 58.319 10.064 3.986 16 HZ1 LYS 2 HZ1 LYS 2 56.220 11.283 2.306 17 HZ2 LYS 2 HZ2 LYS 2 57.819 10.876 1.902 18 HZ3 LYS 2 HZ3 LYS 2 57.505 12.233 2.875 19 H GLY 3 HN GLY 3 56.731 6.624 1.038 20 HA2 GLY 3 HA1 GLY 3 55.542 5.376 -0.694 21 HA3 GLY 3 HA2 GLY 3 57.033 4.313 -0.451 22 H ARG 4 HN ARG 4 54.382 5.667 0.472 23 HA ARG 4 HA ARG 4 52.913 4.402 -0.530 24 HB2 ARG 4 HB2 ARG 4 53.444 2.554 1.737 25 HB3 ARG 4 HB1 ARG 4 51.707 2.794 1.441 26 HG2 ARG 4 HG2 ARG 4 51.720 1.692 -0.600 27 HG3 ARG 4 HG1 ARG 4 53.362 2.197 -1.018 28 HD2 ARG 4 HD2 ARG 4 54.296 0.549 0.559 29 HD3 ARG 4 HD1 ARG 4 52.657 0.099 1.082 30 HE ARG 4 HE ARG 4 52.838 -0.222 -1.756 31 HH11 ARG 4 HH11 ARG 4 53.702 -2.152 -2.654 32 HH12 ARG 4 HH12 ARG 4 54.042 -3.475 -1.589 33 HH21 ARG 4 HH21 ARG 4 53.410 -1.662 1.297 34 HH22 ARG 4 HH22 ARG 4 53.877 -3.198 0.647 35 H TRP 5 HN TRP 5 53.722 6.093 2.069 36 HA TRP 5 HA TRP 5 51.566 6.609 3.734 37 HB2 TRP 5 HB2 TRP 5 53.782 7.803 3.729 38 HB3 TRP 5 HB1 TRP 5 53.188 8.769 2.354 39 HD1 TRP 5 HD1 TRP 5 51.569 10.723 2.859 40 HE1 TRP 5 HE1 TRP 5 50.548 11.769 5.010 41 HE3 TRP 5 HE3 TRP 5 52.920 7.115 6.231 42 HZ2 TRP 5 HZ2 TRP 5 50.362 11.102 7.804 43 HZ3 TRP 5 HZ3 TRP 5 52.311 7.341 8.635 44 HH2 TRP 5 HH2 TRP 5 51.035 9.330 9.423 45 H LEU 6 HN LEU 6 51.795 7.087 0.326 46 HA LEU 6 HA LEU 6 49.350 8.799 0.212 47 HB2 LEU 6 HB2 LEU 6 51.081 7.814 -2.087 48 HB3 LEU 6 HB1 LEU 6 49.911 9.151 -2.096 49 HG LEU 6 HG LEU 6 52.444 9.092 -0.389 50 HD11 LEU 6 HD11 LEU 6 52.898 9.145 -2.853 51 HD12 LEU 6 HD12 LEU 6 53.385 10.645 -2.027 52 HD13 LEU 6 HD13 LEU 6 51.880 10.600 -2.978 53 HD21 LEU 6 HD21 LEU 6 50.833 10.566 0.612 54 HD22 LEU 6 HD22 LEU 6 50.305 11.186 -0.970 55 HD23 LEU 6 HD23 LEU 6 51.909 11.616 -0.335 56 H GLU 7 HN GLU 7 50.476 5.466 -0.245 57 HA GLU 7 HA GLU 7 48.320 4.686 -2.019 58 HB2 GLU 7 HB2 GLU 7 50.387 3.344 -1.644 59 HB3 GLU 7 HB1 GLU 7 49.827 2.987 0.007 60 HG2 GLU 7 HG2 GLU 7 47.885 1.812 -0.818 61 HG3 GLU 7 HG1 GLU 7 48.180 2.370 -2.482 62 H ARG 8 HN ARG 8 48.458 5.500 1.321 63 HA ARG 8 HA ARG 8 46.084 3.929 2.087 64 HB2 ARG 8 HB2 ARG 8 47.273 6.258 3.634 65 HB3 ARG 8 HB1 ARG 8 46.401 4.836 4.254 66 HG2 ARG 8 HG2 ARG 8 49.171 4.854 2.974 67 HG3 ARG 8 HG1 ARG 8 48.797 4.578 4.691 68 HD2 ARG 8 HD2 ARG 8 48.150 2.794 2.319 69 HD3 ARG 8 HD1 ARG 8 49.104 2.401 3.768 70 HE ARG 8 HE ARG 8 46.531 3.066 4.695 71 HH11 ARG 8 HH11 ARG 8 47.022 1.301 1.901 72 HH12 ARG 8 HH12 ARG 8 46.292 -0.162 2.477 73 HH21 ARG 8 HH21 ARG 8 46.007 0.955 5.747 74 HH22 ARG 8 HH22 ARG 8 45.716 -0.356 4.654 75 H ILE 9 HN ILE 9 45.441 5.354 -0.165 76 HA ILE 9 HA ILE 9 44.460 7.953 0.130 77 HB ILE 9 HB ILE 9 44.404 6.834 -2.035 78 HG12 ILE 9 HG12 ILE 9 42.177 7.446 -2.821 79 HG13 ILE 9 HG11 ILE 9 41.515 7.357 -1.176 80 HG21 ILE 9 HG21 ILE 9 43.043 4.941 -2.544 81 HG22 ILE 9 HG22 ILE 9 42.132 5.082 -1.024 82 HG23 ILE 9 HG23 ILE 9 43.831 4.554 -0.998 83 HD11 ILE 9 HD1 ILE 9 42.643 9.322 -0.483 84 HD12 ILE 9 HD2 ILE 9 42.140 9.708 -2.145 85 HD13 ILE 9 HD3 ILE 9 43.823 9.229 -1.815 86 H GLY 10 HN GLY 10 43.088 8.879 1.470 87 HA2 GLY 10 HA1 GLY 10 40.657 8.848 2.170 88 HA3 GLY 10 HA2 GLY 10 40.927 7.183 2.721 89 H LYS 11 HN LYS 11 43.101 10.000 3.037 90 HA LYS 11 HA LYS 11 43.831 9.487 5.699 91 HB2 LYS 11 HB2 LYS 11 44.813 11.218 4.088 92 HB3 LYS 11 HB1 LYS 11 43.470 12.284 4.562 93 HG2 LYS 11 HG2 LYS 11 44.168 11.968 6.974 94 HG3 LYS 11 HG1 LYS 11 45.606 11.098 6.385 95 HD2 LYS 11 HD2 LYS 11 46.251 13.100 5.050 96 HD3 LYS 11 HD1 LYS 11 44.840 13.970 5.698 97 HE2 LYS 11 HE2 LYS 11 46.995 12.731 7.458 98 HE3 LYS 11 HE1 LYS 11 47.030 14.426 6.914 99 HZ1 LYS 11 HZ1 LYS 11 45.622 14.937 8.527 100 HZ2 LYS 11 HZ2 LYS 11 45.612 13.325 9.063 101 HZ3 LYS 11 HZ3 LYS 11 44.470 13.850 7.919 102 H ALA 12 HN ALA 12 40.972 11.102 4.388 103 HA ALA 12 HA ALA 12 39.634 10.834 7.005 104 HB1 ALA 12 HB1 ALA 12 39.966 13.571 5.743 105 HB2 ALA 12 HB2 ALA 12 40.870 13.002 7.165 106 HB3 ALA 12 HB3 ALA 12 39.100 13.183 7.247 107 H GLY 13 HN GLY 13 39.740 11.247 3.599 108 HA2 GLY 13 HA1 GLY 13 38.091 10.892 2.010 109 HA3 GLY 13 HA2 GLY 13 37.008 10.360 3.313 110 H PHE 14 HN PHE 14 38.611 13.497 3.285 111 HA PHE 14 HA PHE 14 36.232 14.877 2.211 112 HB2 PHE 14 HB2 PHE 14 37.031 15.104 5.139 113 HB3 PHE 14 HB1 PHE 14 35.967 16.259 4.300 114 HD1 PHE 14 HD1 PHE 14 36.016 13.259 6.221 115 HD2 PHE 14 HD2 PHE 14 33.978 15.146 2.914 116 HE1 PHE 14 HE1 PHE 14 34.063 11.752 6.563 117 HE2 PHE 14 HE2 PHE 14 32.027 13.637 3.259 118 HZ PHE 14 HZ PHE 14 32.101 11.892 5.036 119 H ILE 15 HN ILE 15 39.521 14.597 2.970 120 HA ILE 15 HA ILE 15 40.079 17.155 1.619 121 HB ILE 15 HB ILE 15 41.681 17.903 3.413 122 HG12 ILE 15 HG12 ILE 15 40.171 15.834 5.077 123 HG13 ILE 15 HG11 ILE 15 41.862 15.682 4.547 124 HG21 ILE 15 HG21 ILE 15 39.283 18.779 3.117 125 HG22 ILE 15 HG22 ILE 15 40.005 19.021 4.721 126 HG23 ILE 15 HG23 ILE 15 38.828 17.711 4.464 127 HD11 ILE 15 HD1 ILE 15 42.225 17.980 5.731 128 HD12 ILE 15 HD2 ILE 15 42.032 16.536 6.754 129 HD13 ILE 15 HD3 ILE 15 40.665 17.651 6.525 130 H ILE 16 HN ILE 16 40.411 14.539 0.798 131 HA ILE 16 HA ILE 16 43.362 14.519 0.464 132 HB ILE 16 HB ILE 16 42.812 13.045 2.433 133 HG12 ILE 16 HG12 ILE 16 44.024 11.007 1.514 134 HG13 ILE 16 HG11 ILE 16 43.878 11.718 -0.108 135 HG21 ILE 16 HG21 ILE 16 41.483 11.228 0.390 136 HG22 ILE 16 HG22 ILE 16 40.564 12.336 1.438 137 HG23 ILE 16 HG23 ILE 16 41.545 11.037 2.158 138 HD11 ILE 16 HD1 ILE 16 45.420 13.430 0.354 139 HD12 ILE 16 HD2 ILE 16 46.080 12.116 1.350 140 HD13 ILE 16 HD3 ILE 16 45.103 13.393 2.105 141 H ILE 17 HN ILE 17 40.189 13.059 -0.282 142 HA ILE 17 HA ILE 17 41.131 12.045 -2.867 143 HB ILE 17 HB ILE 17 39.290 10.865 -1.753 144 HG12 ILE 17 HG12 ILE 17 37.656 10.780 -3.558 145 HG13 ILE 17 HG11 ILE 17 38.136 12.386 -4.140 146 HG21 ILE 17 HG21 ILE 17 38.425 12.889 -0.527 147 HG22 ILE 17 HG22 ILE 17 37.147 11.922 -1.296 148 HG23 ILE 17 HG23 ILE 17 37.686 13.440 -2.049 149 HD11 ILE 17 HD1 ILE 17 40.205 11.599 -4.984 150 HD12 ILE 17 HD2 ILE 17 39.086 10.270 -5.365 151 HD13 ILE 17 HD3 ILE 17 40.175 10.140 -3.964 152 H GLY 18 HN GLY 18 39.350 14.829 -1.590 153 HA2 GLY 18 HA1 GLY 18 38.961 15.968 -4.298 154 HA3 GLY 18 HA2 GLY 18 38.405 16.648 -2.755 155 H GLY 19 HN GLY 19 40.846 16.539 -1.325 156 HA2 GLY 19 HA1 GLY 19 42.010 19.012 -2.169 157 HA3 GLY 19 HA2 GLY 19 42.667 17.910 -0.943 158 H ALA 20 HN ALA 20 42.956 15.609 -2.625 159 HA ALA 20 HA ALA 20 45.571 16.036 -3.617 160 HB1 ALA 20 HB1 ALA 20 44.838 13.806 -3.178 161 HB2 ALA 20 HB2 ALA 20 45.130 13.900 -4.931 162 HB3 ALA 20 HB3 ALA 20 43.467 13.962 -4.300 163 H LEU 21 HN LEU 21 42.796 15.232 -5.740 164 HA LEU 21 HA LEU 21 42.246 16.013 -7.844 165 HB2 LEU 21 HB2 LEU 21 42.442 18.245 -6.428 166 HB3 LEU 21 HB1 LEU 21 43.898 18.521 -7.405 167 HG LEU 21 HG LEU 21 41.088 17.999 -8.486 168 HD11 LEU 21 HD11 LEU 21 42.819 20.513 -8.456 169 HD12 LEU 21 HD12 LEU 21 41.377 20.233 -7.450 170 HD13 LEU 21 HD13 LEU 21 41.218 20.362 -9.218 171 HD21 LEU 21 HD21 LEU 21 43.799 18.404 -9.815 172 HD22 LEU 21 HD22 LEU 21 42.281 18.779 -10.668 173 HD23 LEU 21 HD23 LEU 21 42.599 17.122 -10.108 174 H ASP 22 HN ASP 22 43.460 14.361 -8.822 175 HA ASP 22 HA ASP 22 45.521 15.333 -10.612 176 HB2 ASP 22 HB2 ASP 22 47.347 13.840 -9.776 177 HB3 ASP 22 HB1 ASP 22 46.945 15.146 -8.635 178 H HIS 23 HN HIS 23 46.411 12.218 -9.900 179 HA HIS 23 HA HIS 23 45.102 11.155 -12.249 180 HB2 HIS 23 HB2 HIS 23 46.403 9.610 -9.971 181 HB3 HIS 23 HB1 HIS 23 46.153 9.059 -11.646 182 HD1 HIS 23 HD1 HIS 23 49.014 9.273 -10.304 183 HD2 HIS 23 HD2 HIS 23 47.256 12.233 -12.721 184 HE1 HIS 23 HE1 HIS 23 50.908 10.674 -11.290 185 H LEU 24 HN LEU 24 44.072 11.716 -9.059 186 HA LEU 24 HA LEU 24 42.144 9.469 -8.968 187 HB2 LEU 24 HB2 LEU 24 42.439 11.902 -7.162 188 HB3 LEU 24 HB1 LEU 24 41.495 10.436 -6.817 189 HG LEU 24 HG LEU 24 44.508 10.456 -7.312 190 HD11 LEU 24 HD11 LEU 24 44.741 10.227 -4.874 191 HD12 LEU 24 HD12 LEU 24 42.974 10.313 -4.678 192 HD13 LEU 24 HD13 LEU 24 43.875 11.732 -5.266 193 HD21 LEU 24 HD21 LEU 24 44.209 8.186 -6.043 194 HD22 LEU 24 HD22 LEU 24 43.713 8.255 -7.745 195 HD23 LEU 24 HD23 LEU 24 42.486 8.341 -6.460 Start of MODEL 57 1 H1 GLY 1 HT1 GLY 1 58.913 -2.302 0.727 2 H2 GLY 1 HT2 GLY 1 60.301 -1.434 0.269 3 H3 GLY 1 HT3 GLY 1 58.832 -0.622 0.530 4 HA2 GLY 1 HA1 GLY 1 59.836 -2.206 2.719 5 HA3 GLY 1 HA2 GLY 1 60.758 -0.749 2.301 6 H LYS 2 HN LYS 2 59.862 -0.517 4.681 7 HA LYS 2 HA LYS 2 57.098 0.308 4.931 8 HB2 LYS 2 HB2 LYS 2 59.541 0.843 6.664 9 HB3 LYS 2 HB1 LYS 2 57.871 1.253 7.121 10 HG2 LYS 2 HG2 LYS 2 57.204 -1.088 7.004 11 HG3 LYS 2 HG1 LYS 2 58.800 -1.550 6.367 12 HD2 LYS 2 HD2 LYS 2 59.859 -0.744 8.471 13 HD3 LYS 2 HD1 LYS 2 58.248 -0.339 9.112 14 HE2 LYS 2 HE2 LYS 2 59.100 -3.125 8.205 15 HE3 LYS 2 HE1 LYS 2 59.078 -2.574 9.898 16 HZ1 LYS 2 HZ1 LYS 2 56.824 -3.068 8.066 17 HZ2 LYS 2 HZ2 LYS 2 56.646 -1.924 9.308 18 HZ3 LYS 2 HZ3 LYS 2 57.020 -3.538 9.682 19 H GLY 3 HN GLY 3 56.961 2.658 6.175 20 HA2 GLY 3 HA1 GLY 3 57.902 5.031 5.818 21 HA3 GLY 3 HA2 GLY 3 57.879 4.658 4.033 22 H ARG 4 HN ARG 4 56.449 3.498 3.315 23 HA ARG 4 HA ARG 4 55.608 5.685 2.697 24 HB2 ARG 4 HB2 ARG 4 54.268 3.097 1.788 25 HB3 ARG 4 HB1 ARG 4 54.025 4.665 0.984 26 HG2 ARG 4 HG2 ARG 4 56.442 4.865 0.569 27 HG3 ARG 4 HG1 ARG 4 56.737 3.342 1.442 28 HD2 ARG 4 HD2 ARG 4 55.412 2.100 -0.214 29 HD3 ARG 4 HD1 ARG 4 55.019 3.613 -1.065 30 HE ARG 4 HE ARG 4 57.066 3.293 -2.177 31 HH11 ARG 4 HH11 ARG 4 57.091 1.186 0.446 32 HH12 ARG 4 HH12 ARG 4 58.813 1.151 0.624 33 HH21 ARG 4 HH21 ARG 4 59.370 3.673 -1.691 34 HH22 ARG 4 HH22 ARG 4 60.103 2.560 -0.584 35 H TRP 5 HN TRP 5 54.432 3.921 5.076 36 HA TRP 5 HA TRP 5 51.656 4.004 5.305 37 HB2 TRP 5 HB2 TRP 5 53.262 3.224 7.066 38 HB3 TRP 5 HB1 TRP 5 53.573 4.931 7.469 39 HD1 TRP 5 HD1 TRP 5 52.110 5.845 9.325 40 HE1 TRP 5 HE1 TRP 5 49.785 5.307 10.356 41 HE3 TRP 5 HE3 TRP 5 50.704 2.033 6.206 42 HZ2 TRP 5 HZ2 TRP 5 47.628 3.464 9.867 43 HZ3 TRP 5 HZ3 TRP 5 48.507 0.902 6.506 44 HH2 TRP 5 HH2 TRP 5 46.970 1.613 8.333 45 H LEU 6 HN LEU 6 53.814 6.679 4.995 46 HA LEU 6 HA LEU 6 51.656 8.634 5.755 47 HB2 LEU 6 HB2 LEU 6 54.598 9.228 5.284 48 HB3 LEU 6 HB1 LEU 6 53.384 10.237 6.105 49 HG LEU 6 HG LEU 6 54.414 7.535 7.087 50 HD11 LEU 6 HD11 LEU 6 55.571 8.802 8.795 51 HD12 LEU 6 HD12 LEU 6 54.812 10.320 8.258 52 HD13 LEU 6 HD13 LEU 6 56.006 9.506 7.219 53 HD21 LEU 6 HD21 LEU 6 52.324 9.493 8.133 54 HD22 LEU 6 HD22 LEU 6 53.153 8.345 9.214 55 HD23 LEU 6 HD23 LEU 6 52.164 7.739 7.867 56 H GLU 7 HN GLU 7 53.538 7.312 3.071 57 HA GLU 7 HA GLU 7 53.168 9.655 1.368 58 HB2 GLU 7 HB2 GLU 7 54.868 7.663 1.146 59 HB3 GLU 7 HB1 GLU 7 53.533 6.835 0.316 60 HG2 GLU 7 HG2 GLU 7 54.800 7.922 -1.405 61 HG3 GLU 7 HG1 GLU 7 53.338 8.910 -1.177 62 H ARG 8 HN ARG 8 51.050 7.344 2.603 63 HA ARG 8 HA ARG 8 49.332 6.757 0.439 64 HB2 ARG 8 HB2 ARG 8 49.261 5.925 2.891 65 HB3 ARG 8 HB1 ARG 8 48.338 7.403 3.237 66 HG2 ARG 8 HG2 ARG 8 46.581 5.932 2.758 67 HG3 ARG 8 HG1 ARG 8 46.872 6.599 1.137 68 HD2 ARG 8 HD2 ARG 8 48.541 4.592 0.860 69 HD3 ARG 8 HD1 ARG 8 47.689 3.899 2.259 70 HE ARG 8 HE ARG 8 46.648 4.072 -0.440 71 HH11 ARG 8 HH11 ARG 8 44.316 4.437 -0.596 72 HH12 ARG 8 HH12 ARG 8 43.353 3.834 0.712 73 HH21 ARG 8 HH21 ARG 8 46.072 3.201 2.770 74 HH22 ARG 8 HH22 ARG 8 44.348 3.134 2.618 75 H ILE 9 HN ILE 9 48.181 7.981 -0.887 76 HA ILE 9 HA ILE 9 47.972 10.834 -0.473 77 HB ILE 9 HB ILE 9 46.432 10.755 -2.486 78 HG12 ILE 9 HG12 ILE 9 46.437 8.518 -3.720 79 HG13 ILE 9 HG11 ILE 9 47.022 7.763 -2.225 80 HG21 ILE 9 HG21 ILE 9 48.233 10.078 -4.036 81 HG22 ILE 9 HG22 ILE 9 49.077 9.254 -2.702 82 HG23 ILE 9 HG23 ILE 9 48.884 11.023 -2.676 83 HD11 ILE 9 HD1 ILE 9 44.395 7.871 -2.804 84 HD12 ILE 9 HD2 ILE 9 44.531 9.477 -2.054 85 HD13 ILE 9 HD3 ILE 9 44.969 8.020 -1.130 86 H GLY 10 HN GLY 10 46.368 8.357 1.028 87 HA2 GLY 10 HA1 GLY 10 43.664 9.444 0.993 88 HA3 GLY 10 HA2 GLY 10 44.289 8.172 2.061 89 H LYS 11 HN LYS 11 44.457 11.704 1.485 90 HA LYS 11 HA LYS 11 45.520 12.470 3.974 91 HB2 LYS 11 HB2 LYS 11 44.999 13.978 2.007 92 HB3 LYS 11 HB1 LYS 11 43.287 13.917 2.494 93 HG2 LYS 11 HG2 LYS 11 43.765 14.953 4.620 94 HG3 LYS 11 HG1 LYS 11 45.519 14.780 4.384 95 HD2 LYS 11 HD2 LYS 11 44.897 17.088 3.909 96 HD3 LYS 11 HD1 LYS 11 45.357 16.294 2.385 97 HE2 LYS 11 HE2 LYS 11 43.102 16.117 1.660 98 HE3 LYS 11 HE1 LYS 11 42.456 16.400 3.295 99 HZ1 LYS 11 HZ1 LYS 11 42.477 18.312 1.570 100 HZ2 LYS 11 HZ2 LYS 11 44.116 18.463 1.994 101 HZ3 LYS 11 HZ3 LYS 11 42.909 18.637 3.177 102 H ALA 12 HN ALA 12 42.294 11.370 3.100 103 HA ALA 12 HA ALA 12 41.650 10.881 5.902 104 HB1 ALA 12 HB1 ALA 12 41.174 13.267 5.863 105 HB2 ALA 12 HB2 ALA 12 39.647 12.355 5.942 106 HB3 ALA 12 HB3 ALA 12 40.180 13.073 4.402 107 H GLY 13 HN GLY 13 41.433 10.344 2.635 108 HA2 GLY 13 HA1 GLY 13 40.088 8.997 1.317 109 HA3 GLY 13 HA2 GLY 13 39.905 8.020 2.788 110 H PHE 14 HN PHE 14 38.808 11.365 2.486 111 HA PHE 14 HA PHE 14 35.986 10.467 2.093 112 HB2 PHE 14 HB2 PHE 14 36.464 10.473 4.577 113 HB3 PHE 14 HB1 PHE 14 36.809 12.213 4.447 114 HD1 PHE 14 HD1 PHE 14 35.013 13.708 4.816 115 HD2 PHE 14 HD2 PHE 14 34.170 9.714 3.402 116 HE1 PHE 14 HE1 PHE 14 32.572 14.178 4.936 117 HE2 PHE 14 HE2 PHE 14 31.729 10.190 3.523 118 HZ PHE 14 HZ PHE 14 30.933 12.441 4.230 119 H ILE 15 HN ILE 15 38.561 12.613 1.647 120 HA ILE 15 HA ILE 15 36.879 14.358 -0.020 121 HB ILE 15 HB ILE 15 37.726 16.470 1.056 122 HG12 ILE 15 HG12 ILE 15 38.563 14.510 3.245 123 HG13 ILE 15 HG11 ILE 15 39.648 15.513 2.254 124 HG21 ILE 15 HG21 ILE 15 36.021 16.553 2.732 125 HG22 ILE 15 HG22 ILE 15 36.136 14.806 3.048 126 HG23 ILE 15 HG23 ILE 15 35.431 15.391 1.523 127 HD11 ILE 15 HD1 ILE 15 37.689 16.399 4.398 128 HD12 ILE 15 HD2 ILE 15 38.302 17.541 3.177 129 HD13 ILE 15 HD3 ILE 15 39.432 16.726 4.284 130 H ILE 16 HN ILE 16 38.968 12.467 -0.469 131 HA ILE 16 HA ILE 16 40.842 14.264 -1.896 132 HB ILE 16 HB ILE 16 41.831 13.800 0.409 133 HG12 ILE 16 HG12 ILE 16 44.078 13.079 -0.516 134 HG13 ILE 16 HG11 ILE 16 43.282 12.751 -2.070 135 HG21 ILE 16 HG21 ILE 16 42.235 10.981 -0.660 136 HG22 ILE 16 HG22 ILE 16 40.909 11.412 0.446 137 HG23 ILE 16 HG23 ILE 16 42.600 11.604 0.966 138 HD11 ILE 16 HD1 ILE 16 44.454 15.118 -1.589 139 HD12 ILE 16 HD2 ILE 16 42.897 15.484 -0.816 140 HD13 ILE 16 HD3 ILE 16 42.953 15.026 -2.534 141 H ILE 17 HN ILE 17 39.230 11.256 -1.337 142 HA ILE 17 HA ILE 17 40.597 9.895 -3.603 143 HB ILE 17 HB ILE 17 38.750 8.093 -3.030 144 HG12 ILE 17 HG12 ILE 17 37.926 8.212 -0.711 145 HG13 ILE 17 HG11 ILE 17 38.722 9.781 -0.481 146 HG21 ILE 17 HG21 ILE 17 40.946 8.823 -1.042 147 HG22 ILE 17 HG22 ILE 17 41.146 7.837 -2.511 148 HG23 ILE 17 HG23 ILE 17 40.148 7.237 -1.165 149 HD11 ILE 17 HD1 ILE 17 36.681 9.356 -2.694 150 HD12 ILE 17 HD2 ILE 17 37.229 10.887 -1.963 151 HD13 ILE 17 HD3 ILE 17 36.185 9.784 -1.041 152 H GLY 18 HN GLY 18 38.435 12.302 -3.398 153 HA2 GLY 18 HA1 GLY 18 37.394 11.793 -6.063 154 HA3 GLY 18 HA2 GLY 18 36.144 11.621 -4.814 155 H GLY 19 HN GLY 19 37.218 13.612 -3.016 156 HA2 GLY 19 HA1 GLY 19 36.003 15.949 -4.255 157 HA3 GLY 19 HA2 GLY 19 36.720 15.852 -2.635 158 H ALA 20 HN ALA 20 39.057 14.609 -4.513 159 HA ALA 20 HA ALA 20 40.697 16.977 -4.336 160 HB1 ALA 20 HB1 ALA 20 41.460 14.550 -4.314 161 HB2 ALA 20 HB2 ALA 20 42.404 15.651 -5.344 162 HB3 ALA 20 HB3 ALA 20 41.213 14.547 -6.075 163 H LEU 21 HN LEU 21 39.421 15.178 -7.178 164 HA LEU 21 HA LEU 21 38.880 15.924 -9.296 165 HB2 LEU 21 HB2 LEU 21 37.633 17.675 -7.777 166 HB3 LEU 21 HB1 LEU 21 38.910 18.791 -8.304 167 HG LEU 21 HG LEU 21 38.268 17.905 -10.745 168 HD11 LEU 21 HD11 LEU 21 35.811 17.447 -10.907 169 HD12 LEU 21 HD12 LEU 21 35.727 17.375 -9.133 170 HD13 LEU 21 HD13 LEU 21 36.679 16.169 -10.030 171 HD21 LEU 21 HD21 LEU 21 36.585 19.732 -10.926 172 HD22 LEU 21 HD22 LEU 21 38.009 20.239 -9.987 173 HD23 LEU 21 HD23 LEU 21 36.497 19.814 -9.151 174 H ASP 22 HN ASP 22 41.699 16.584 -7.733 175 HA ASP 22 HA ASP 22 42.949 18.351 -9.706 176 HB2 ASP 22 HB2 ASP 22 43.672 18.205 -7.314 177 HB3 ASP 22 HB1 ASP 22 44.246 16.549 -7.624 178 H HIS 23 HN HIS 23 41.631 15.913 -10.735 179 HA HIS 23 HA HIS 23 42.075 14.182 -12.219 180 HB2 HIS 23 HB2 HIS 23 44.492 15.947 -12.775 181 HB3 HIS 23 HB1 HIS 23 43.958 14.597 -13.807 182 HD1 HIS 23 HD1 HIS 23 43.324 18.172 -13.039 183 HD2 HIS 23 HD2 HIS 23 41.347 15.044 -15.035 184 HE1 HIS 23 HE1 HIS 23 41.426 19.213 -14.395 185 H LEU 24 HN LEU 24 42.486 13.039 -10.018 186 HA LEU 24 HA LEU 24 44.774 11.310 -10.434 187 HB2 LEU 24 HB2 LEU 24 45.670 13.514 -9.291 188 HB3 LEU 24 HB1 LEU 24 44.931 12.846 -7.821 189 HG LEU 24 HG LEU 24 46.998 11.441 -9.580 190 HD11 LEU 24 HD11 LEU 24 48.519 11.804 -7.689 191 HD12 LEU 24 HD12 LEU 24 47.221 12.599 -6.766 192 HD13 LEU 24 HD13 LEU 24 47.866 13.365 -8.237 193 HD21 LEU 24 HD21 LEU 24 45.689 9.708 -8.616 194 HD22 LEU 24 HD22 LEU 24 45.442 10.608 -7.099 195 HD23 LEU 24 HD23 LEU 24 47.032 9.897 -7.467 Start of MODEL 58 1 H1 GLY 1 HT1 GLY 1 59.017 1.895 -1.001 2 H2 GLY 1 HT2 GLY 1 60.494 1.231 -0.485 3 H3 GLY 1 HT3 GLY 1 60.460 2.348 -1.765 4 HA2 GLY 1 HA1 GLY 1 60.387 2.755 1.078 5 HA3 GLY 1 HA2 GLY 1 61.039 3.784 -0.214 6 H LYS 2 HN LYS 2 57.833 2.550 -0.643 7 HA LYS 2 HA LYS 2 56.456 4.715 0.721 8 HB2 LYS 2 HB2 LYS 2 57.617 5.717 -1.451 9 HB3 LYS 2 HB1 LYS 2 56.268 4.933 -2.300 10 HG2 LYS 2 HG2 LYS 2 54.693 6.131 -0.690 11 HG3 LYS 2 HG1 LYS 2 56.106 7.040 -0.102 12 HD2 LYS 2 HD2 LYS 2 56.550 7.761 -2.481 13 HD3 LYS 2 HD1 LYS 2 55.015 6.992 -2.948 14 HE2 LYS 2 HE2 LYS 2 55.236 9.132 -0.790 15 HE3 LYS 2 HE1 LYS 2 54.846 9.482 -2.490 16 HZ1 LYS 2 HZ1 LYS 2 53.317 7.494 -0.909 17 HZ2 LYS 2 HZ2 LYS 2 52.870 8.266 -2.354 18 HZ3 LYS 2 HZ3 LYS 2 52.915 9.140 -0.898 19 H GLY 3 HN GLY 3 54.476 4.653 -1.703 20 HA2 GLY 3 HA1 GLY 3 52.290 3.546 -1.679 21 HA3 GLY 3 HA2 GLY 3 53.379 2.181 -2.282 22 H ARG 4 HN ARG 4 52.377 4.249 -0.184 23 HA ARG 4 HA ARG 4 50.563 3.271 0.519 24 HB2 ARG 4 HB2 ARG 4 52.453 1.659 2.149 25 HB3 ARG 4 HB1 ARG 4 51.082 2.272 3.099 26 HG2 ARG 4 HG2 ARG 4 49.512 0.938 2.023 27 HG3 ARG 4 HG1 ARG 4 50.348 0.978 0.466 28 HD2 ARG 4 HD2 ARG 4 52.091 -0.569 1.414 29 HD3 ARG 4 HD1 ARG 4 51.143 -0.654 2.917 30 HE ARG 4 HE ARG 4 49.544 -1.327 0.579 31 HH11 ARG 4 HH11 ARG 4 51.563 -3.258 0.021 32 HH12 ARG 4 HH12 ARG 4 51.250 -4.562 1.117 33 HH21 ARG 4 HH21 ARG 4 49.260 -2.664 3.228 34 HH22 ARG 4 HH22 ARG 4 49.947 -4.225 2.932 35 H TRP 5 HN TRP 5 53.128 5.017 1.171 36 HA TRP 5 HA TRP 5 53.077 6.297 3.605 37 HB2 TRP 5 HB2 TRP 5 54.503 6.927 1.645 38 HB3 TRP 5 HB1 TRP 5 53.090 7.753 0.943 39 HD1 TRP 5 HD1 TRP 5 52.391 10.056 1.943 40 HE1 TRP 5 HE1 TRP 5 53.448 11.693 3.665 41 HE3 TRP 5 HE3 TRP 5 55.980 6.969 3.892 42 HZ2 TRP 5 HZ2 TRP 5 55.568 11.636 5.614 43 HZ3 TRP 5 HZ3 TRP 5 57.510 7.781 5.683 44 HH2 TRP 5 HH2 TRP 5 57.306 10.109 6.545 45 H LEU 6 HN LEU 6 50.562 6.251 1.219 46 HA LEU 6 HA LEU 6 49.047 8.451 2.557 47 HB2 LEU 6 HB2 LEU 6 49.403 7.901 -0.088 48 HB3 LEU 6 HB1 LEU 6 47.927 6.958 0.189 49 HG LEU 6 HG LEU 6 48.321 9.930 0.784 50 HD11 LEU 6 HD11 LEU 6 46.515 8.515 -1.226 51 HD12 LEU 6 HD12 LEU 6 48.080 9.261 -1.632 52 HD13 LEU 6 HD13 LEU 6 46.739 10.272 -1.041 53 HD21 LEU 6 HD21 LEU 6 46.798 9.184 2.444 54 HD22 LEU 6 HD22 LEU 6 46.047 7.991 1.359 55 HD23 LEU 6 HD23 LEU 6 45.733 9.729 1.131 56 H GLU 7 HN GLU 7 49.166 4.913 2.189 57 HA GLU 7 HA GLU 7 46.420 4.454 2.997 58 HB2 GLU 7 HB2 GLU 7 48.030 2.789 1.907 59 HB3 GLU 7 HB1 GLU 7 48.782 2.615 3.511 60 HG2 GLU 7 HG2 GLU 7 47.149 0.859 3.344 61 HG3 GLU 7 HG1 GLU 7 46.443 2.092 4.414 62 H ARG 8 HN ARG 8 49.439 5.066 4.708 63 HA ARG 8 HA ARG 8 48.778 4.158 7.290 64 HB2 ARG 8 HB2 ARG 8 50.990 5.070 6.624 65 HB3 ARG 8 HB1 ARG 8 50.282 6.701 6.553 66 HG2 ARG 8 HG2 ARG 8 49.778 6.668 8.918 67 HG3 ARG 8 HG1 ARG 8 50.210 4.945 9.041 68 HD2 ARG 8 HD2 ARG 8 52.540 5.430 8.549 69 HD3 ARG 8 HD1 ARG 8 52.158 7.133 8.199 70 HE ARG 8 HE ARG 8 51.282 6.624 10.842 71 HH11 ARG 8 HH11 ARG 8 52.573 7.454 12.512 72 HH12 ARG 8 HH12 ARG 8 54.291 7.517 12.302 73 HH21 ARG 8 HH21 ARG 8 54.202 6.342 9.041 74 HH22 ARG 8 HH22 ARG 8 55.214 6.888 10.337 75 H ILE 9 HN ILE 9 48.591 7.610 6.316 76 HA ILE 9 HA ILE 9 46.808 8.262 8.480 77 HB ILE 9 HB ILE 9 48.295 9.911 7.276 78 HG12 ILE 9 HG12 ILE 9 45.314 10.571 7.298 79 HG13 ILE 9 HG11 ILE 9 46.386 10.619 8.717 80 HG21 ILE 9 HG21 ILE 9 47.625 8.985 4.966 81 HG22 ILE 9 HG22 ILE 9 47.704 10.756 5.119 82 HG23 ILE 9 HG23 ILE 9 46.126 9.930 5.139 83 HD11 ILE 9 HD1 ILE 9 47.849 12.252 7.320 84 HD12 ILE 9 HD2 ILE 9 46.310 12.871 7.962 85 HD13 ILE 9 HD3 ILE 9 46.432 12.395 6.253 86 H GLY 10 HN GLY 10 46.318 7.475 5.042 87 HA2 GLY 10 HA1 GLY 10 44.365 7.135 3.838 88 HA3 GLY 10 HA2 GLY 10 43.845 6.260 5.291 89 H LYS 11 HN LYS 11 44.273 9.683 4.263 90 HA LYS 11 HA LYS 11 41.453 10.254 4.524 91 HB2 LYS 11 HB2 LYS 11 42.163 9.995 6.961 92 HB3 LYS 11 HB1 LYS 11 43.185 11.432 6.727 93 HG2 LYS 11 HG2 LYS 11 41.128 12.673 5.933 94 HG3 LYS 11 HG1 LYS 11 40.161 11.256 6.410 95 HD2 LYS 11 HD2 LYS 11 40.945 11.461 8.730 96 HD3 LYS 11 HD1 LYS 11 41.995 12.824 8.276 97 HE2 LYS 11 HE2 LYS 11 39.933 13.695 9.265 98 HE3 LYS 11 HE1 LYS 11 39.963 14.090 7.531 99 HZ1 LYS 11 HZ1 LYS 11 38.333 12.582 7.068 100 HZ2 LYS 11 HZ2 LYS 11 37.866 13.006 8.646 101 HZ3 LYS 11 HZ3 LYS 11 38.720 11.564 8.368 102 H ALA 12 HN ALA 12 42.326 10.939 2.375 103 HA ALA 12 HA ALA 12 44.039 13.327 2.340 104 HB1 ALA 12 HB1 ALA 12 43.421 13.271 -0.128 105 HB2 ALA 12 HB2 ALA 12 42.478 11.805 0.229 106 HB3 ALA 12 HB3 ALA 12 44.239 11.819 0.494 107 H GLY 13 HN GLY 13 42.373 14.297 3.971 108 HA2 GLY 13 HA1 GLY 13 40.665 15.819 4.364 109 HA3 GLY 13 HA2 GLY 13 41.130 16.497 2.789 110 H PHE 14 HN PHE 14 39.542 13.457 3.844 111 HA PHE 14 HA PHE 14 37.558 12.488 3.154 112 HB2 PHE 14 HB2 PHE 14 36.625 15.259 2.325 113 HB3 PHE 14 HB1 PHE 14 35.644 13.877 2.871 114 HD1 PHE 14 HD1 PHE 14 35.851 13.069 5.264 115 HD2 PHE 14 HD2 PHE 14 37.628 16.763 3.909 116 HE1 PHE 14 HE1 PHE 14 36.068 13.831 7.625 117 HE2 PHE 14 HE2 PHE 14 37.845 17.525 6.271 118 HZ PHE 14 HZ PHE 14 37.082 16.050 8.129 119 H ILE 15 HN ILE 15 39.743 12.584 1.343 120 HA ILE 15 HA ILE 15 40.192 12.137 -0.876 121 HB ILE 15 HB ILE 15 37.193 11.903 -1.339 122 HG12 ILE 15 HG12 ILE 15 39.126 9.872 -0.129 123 HG13 ILE 15 HG11 ILE 15 37.737 10.622 0.689 124 HG21 ILE 15 HG21 ILE 15 37.817 10.398 -3.096 125 HG22 ILE 15 HG22 ILE 15 39.498 10.306 -2.519 126 HG23 ILE 15 HG23 ILE 15 38.889 11.805 -3.256 127 HD11 ILE 15 HD1 ILE 15 36.904 8.514 -0.002 128 HD12 ILE 15 HD2 ILE 15 37.735 8.597 -1.572 129 HD13 ILE 15 HD3 ILE 15 36.314 9.623 -1.261 130 H ILE 16 HN ILE 16 40.730 14.524 -0.724 131 HA ILE 16 HA ILE 16 39.273 15.899 -2.951 132 HB ILE 16 HB ILE 16 38.381 16.797 -0.775 133 HG12 ILE 16 HG12 ILE 16 38.854 19.217 -1.289 134 HG13 ILE 16 HG11 ILE 16 40.110 18.702 -2.433 135 HG21 ILE 16 HG21 ILE 16 41.141 17.986 -0.321 136 HG22 ILE 16 HG22 ILE 16 40.662 16.433 0.404 137 HG23 ILE 16 HG23 ILE 16 39.759 17.914 0.795 138 HD11 ILE 16 HD1 ILE 16 37.629 19.218 -3.282 139 HD12 ILE 16 HD2 ILE 16 37.319 17.556 -2.734 140 HD13 ILE 16 HD3 ILE 16 38.551 17.868 -3.980 141 H ILE 17 HN ILE 17 42.071 16.055 -0.684 142 HA ILE 17 HA ILE 17 43.657 17.484 -2.707 143 HB ILE 17 HB ILE 17 44.114 17.925 -0.323 144 HG12 ILE 17 HG12 ILE 17 46.536 17.614 -0.304 145 HG13 ILE 17 HG11 ILE 17 46.430 16.311 -1.505 146 HG21 ILE 17 HG21 ILE 17 45.012 15.022 -0.121 147 HG22 ILE 17 HG22 ILE 17 43.417 15.596 0.422 148 HG23 ILE 17 HG23 ILE 17 44.896 16.217 1.191 149 HD11 ILE 17 HD1 ILE 17 45.342 19.072 -2.155 150 HD12 ILE 17 HD2 ILE 17 45.912 17.800 -3.265 151 HD13 ILE 17 HD3 ILE 17 47.083 18.733 -2.304 152 H GLY 18 HN GLY 18 43.006 14.230 -1.653 153 HA2 GLY 18 HA1 GLY 18 45.285 13.078 -3.147 154 HA3 GLY 18 HA2 GLY 18 44.053 12.199 -2.218 155 H GLY 19 HN GLY 19 41.687 12.986 -3.247 156 HA2 GLY 19 HA1 GLY 19 41.530 11.478 -5.660 157 HA3 GLY 19 HA2 GLY 19 40.268 12.545 -5.018 158 H ALA 20 HN ALA 20 41.633 15.013 -5.083 159 HA ALA 20 HA ALA 20 41.088 15.870 -7.711 160 HB1 ALA 20 HB1 ALA 20 42.951 16.996 -5.601 161 HB2 ALA 20 HB2 ALA 20 41.273 17.477 -5.950 162 HB3 ALA 20 HB3 ALA 20 42.565 17.842 -7.117 163 H LEU 21 HN LEU 21 44.284 15.114 -6.254 164 HA LEU 21 HA LEU 21 45.787 15.539 -8.638 165 HB2 LEU 21 HB2 LEU 21 46.672 15.275 -6.268 166 HB3 LEU 21 HB1 LEU 21 46.398 13.528 -6.439 167 HG LEU 21 HG LEU 21 47.849 13.746 -8.630 168 HD11 LEU 21 HD11 LEU 21 48.574 16.308 -7.133 169 HD12 LEU 21 HD12 LEU 21 48.012 16.158 -8.815 170 HD13 LEU 21 HD13 LEU 21 49.618 15.555 -8.359 171 HD21 LEU 21 HD21 LEU 21 48.563 12.543 -6.590 172 HD22 LEU 21 HD22 LEU 21 49.095 14.080 -5.863 173 HD23 LEU 21 HD23 LEU 21 49.924 13.442 -7.303 174 H ASP 22 HN ASP 22 43.965 12.757 -7.431 175 HA ASP 22 HA ASP 22 45.011 10.926 -9.456 176 HB2 ASP 22 HB2 ASP 22 44.131 10.187 -7.236 177 HB3 ASP 22 HB1 ASP 22 42.503 10.697 -7.747 178 H HIS 23 HN HIS 23 43.996 13.428 -10.524 179 HA HIS 23 HA HIS 23 42.560 14.202 -12.183 180 HB2 HIS 23 HB2 HIS 23 42.496 11.259 -12.960 181 HB3 HIS 23 HB1 HIS 23 42.140 12.646 -14.016 182 HD1 HIS 23 HD1 HIS 23 45.036 11.558 -11.712 183 HD2 HIS 23 HD2 HIS 23 44.374 13.297 -15.482 184 HE1 HIS 23 HE1 HIS 23 47.324 12.021 -12.750 185 H LEU 24 HN LEU 24 41.258 13.838 -9.762 186 HA LEU 24 HA LEU 24 38.515 13.575 -10.689 187 HB2 LEU 24 HB2 LEU 24 39.263 11.154 -10.363 188 HB3 LEU 24 HB1 LEU 24 39.446 11.535 -8.638 189 HG LEU 24 HG LEU 24 36.959 12.421 -8.819 190 HD11 LEU 24 HD11 LEU 24 37.182 10.606 -11.266 191 HD12 LEU 24 HD12 LEU 24 36.651 12.304 -11.228 192 HD13 LEU 24 HD13 LEU 24 35.642 11.041 -10.492 193 HD21 LEU 24 HD21 LEU 24 37.645 10.449 -7.501 194 HD22 LEU 24 HD22 LEU 24 37.625 9.446 -8.972 195 HD23 LEU 24 HD23 LEU 24 36.109 10.134 -8.341 Start of MODEL 59 1 H1 GLY 1 HT1 GLY 1 59.626 2.163 1.234 2 H2 GLY 1 HT2 GLY 1 60.391 0.826 0.517 3 H3 GLY 1 HT3 GLY 1 60.859 1.348 2.064 4 HA2 GLY 1 HA1 GLY 1 59.040 -0.579 1.437 5 HA3 GLY 1 HA2 GLY 1 59.370 0.125 3.032 6 H LYS 2 HN LYS 2 57.019 -0.536 3.218 7 HA LYS 2 HA LYS 2 55.076 1.174 1.839 8 HB2 LYS 2 HB2 LYS 2 54.829 -0.752 4.182 9 HB3 LYS 2 HB1 LYS 2 53.457 0.085 3.415 10 HG2 LYS 2 HG2 LYS 2 54.111 -0.928 1.221 11 HG3 LYS 2 HG1 LYS 2 55.395 -1.836 2.055 12 HD2 LYS 2 HD2 LYS 2 53.760 -3.002 3.431 13 HD3 LYS 2 HD1 LYS 2 52.440 -1.999 2.783 14 HE2 LYS 2 HE2 LYS 2 52.689 -2.951 0.579 15 HE3 LYS 2 HE1 LYS 2 54.202 -3.768 1.040 16 HZ1 LYS 2 HZ1 LYS 2 52.945 -5.090 2.635 17 HZ2 LYS 2 HZ2 LYS 2 52.331 -5.296 1.064 18 HZ3 LYS 2 HZ3 LYS 2 51.505 -4.319 2.181 19 H GLY 3 HN GLY 3 57.239 2.461 3.446 20 HA2 GLY 3 HA1 GLY 3 56.536 3.509 5.932 21 HA3 GLY 3 HA2 GLY 3 57.218 4.578 4.623 22 H ARG 4 HN ARG 4 56.205 4.763 2.923 23 HA ARG 4 HA ARG 4 55.603 6.826 4.046 24 HB2 ARG 4 HB2 ARG 4 54.775 6.275 1.154 25 HB3 ARG 4 HB1 ARG 4 54.908 7.903 1.868 26 HG2 ARG 4 HG2 ARG 4 57.283 7.438 2.455 27 HG3 ARG 4 HG1 ARG 4 57.148 5.836 1.690 28 HD2 ARG 4 HD2 ARG 4 56.741 6.822 -0.481 29 HD3 ARG 4 HD1 ARG 4 56.582 8.447 0.227 30 HE ARG 4 HE ARG 4 58.923 8.595 0.071 31 HH11 ARG 4 HH11 ARG 4 58.715 5.936 -1.561 32 HH12 ARG 4 HH12 ARG 4 59.962 5.018 -0.785 33 HH21 ARG 4 HH21 ARG 4 60.202 7.150 1.939 34 HH22 ARG 4 HH22 ARG 4 60.804 5.704 1.197 35 H TRP 5 HN TRP 5 53.661 4.324 3.753 36 HA TRP 5 HA TRP 5 51.017 4.950 3.173 37 HB2 TRP 5 HB2 TRP 5 51.712 2.755 4.039 38 HB3 TRP 5 HB1 TRP 5 51.978 3.458 5.652 39 HD1 TRP 5 HD1 TRP 5 49.920 3.805 7.176 40 HE1 TRP 5 HE1 TRP 5 47.379 3.286 6.995 41 HE3 TRP 5 HE3 TRP 5 49.692 2.627 2.199 42 HZ2 TRP 5 HZ2 TRP 5 45.527 2.470 4.947 43 HZ3 TRP 5 HZ3 TRP 5 47.526 1.981 1.152 44 HH2 TRP 5 HH2 TRP 5 45.445 1.902 2.521 45 H LEU 6 HN LEU 6 52.982 6.389 5.628 46 HA LEU 6 HA LEU 6 50.587 7.761 6.830 47 HB2 LEU 6 HB2 LEU 6 51.889 6.494 8.465 48 HB3 LEU 6 HB1 LEU 6 53.390 7.268 7.919 49 HG LEU 6 HG LEU 6 52.596 9.458 8.708 50 HD11 LEU 6 HD11 LEU 6 50.026 7.912 9.220 51 HD12 LEU 6 HD12 LEU 6 50.245 9.471 8.389 52 HD13 LEU 6 HD13 LEU 6 50.405 9.379 10.155 53 HD21 LEU 6 HD21 LEU 6 52.550 8.970 11.127 54 HD22 LEU 6 HD22 LEU 6 53.739 7.935 10.301 55 HD23 LEU 6 HD23 LEU 6 52.162 7.267 10.785 56 H GLU 7 HN GLU 7 53.570 8.138 4.995 57 HA GLU 7 HA GLU 7 53.580 11.093 5.421 58 HB2 GLU 7 HB2 GLU 7 55.381 9.308 3.734 59 HB3 GLU 7 HB1 GLU 7 55.638 11.033 4.090 60 HG2 GLU 7 HG2 GLU 7 55.422 8.865 6.224 61 HG3 GLU 7 HG1 GLU 7 56.963 9.472 5.574 62 H ARG 8 HN ARG 8 51.899 8.926 3.552 63 HA ARG 8 HA ARG 8 52.038 10.398 1.003 64 HB2 ARG 8 HB2 ARG 8 51.612 7.849 1.370 65 HB3 ARG 8 HB1 ARG 8 49.949 8.329 1.771 66 HG2 ARG 8 HG2 ARG 8 49.730 7.977 -0.534 67 HG3 ARG 8 HG1 ARG 8 50.132 9.707 -0.524 68 HD2 ARG 8 HD2 ARG 8 51.578 8.779 -2.164 69 HD3 ARG 8 HD1 ARG 8 52.612 8.928 -0.726 70 HE ARG 8 HE ARG 8 51.344 6.335 -0.788 71 HH11 ARG 8 HH11 ARG 8 53.309 8.040 -2.968 72 HH12 ARG 8 HH12 ARG 8 54.526 6.812 -3.080 73 HH21 ARG 8 HH21 ARG 8 53.128 4.830 -0.601 74 HH22 ARG 8 HH22 ARG 8 54.422 4.995 -1.740 75 H ILE 9 HN ILE 9 48.944 9.691 0.955 76 HA ILE 9 HA ILE 9 47.761 11.706 2.672 77 HB ILE 9 HB ILE 9 48.912 13.186 0.992 78 HG12 ILE 9 HG12 ILE 9 45.863 13.186 0.781 79 HG13 ILE 9 HG11 ILE 9 46.774 13.812 2.174 80 HG21 ILE 9 HG21 ILE 9 48.265 13.175 -1.315 81 HG22 ILE 9 HG22 ILE 9 46.915 12.057 -1.011 82 HG23 ILE 9 HG23 ILE 9 48.593 11.478 -0.904 83 HD11 ILE 9 HD1 ILE 9 48.025 15.307 0.468 84 HD12 ILE 9 HD2 ILE 9 46.333 15.724 0.824 85 HD13 ILE 9 HD3 ILE 9 46.737 14.861 -0.678 86 H GLY 10 HN GLY 10 47.703 9.384 0.094 87 HA2 GLY 10 HA1 GLY 10 45.053 9.406 -0.760 88 HA3 GLY 10 HA2 GLY 10 46.019 7.932 -0.552 89 H LYS 11 HN LYS 11 43.699 10.134 0.936 90 HA LYS 11 HA LYS 11 42.647 7.891 2.560 91 HB2 LYS 11 HB2 LYS 11 43.759 10.438 3.811 92 HB3 LYS 11 HB1 LYS 11 42.689 9.294 4.653 93 HG2 LYS 11 HG2 LYS 11 44.407 7.471 4.069 94 HG3 LYS 11 HG1 LYS 11 45.495 8.791 3.582 95 HD2 LYS 11 HD2 LYS 11 45.386 9.769 5.821 96 HD3 LYS 11 HD1 LYS 11 44.190 8.551 6.327 97 HE2 LYS 11 HE2 LYS 11 46.979 7.854 5.319 98 HE3 LYS 11 HE1 LYS 11 46.574 8.046 7.041 99 HZ1 LYS 11 HZ1 LYS 11 44.963 6.294 6.857 100 HZ2 LYS 11 HZ2 LYS 11 46.446 5.725 6.254 101 HZ3 LYS 11 HZ3 LYS 11 45.203 6.166 5.182 102 H ALA 12 HN ALA 12 42.246 10.483 0.566 103 HA ALA 12 HA ALA 12 40.425 11.804 0.018 104 HB1 ALA 12 HB1 ALA 12 39.397 9.521 -0.136 105 HB2 ALA 12 HB2 ALA 12 38.235 10.807 0.271 106 HB3 ALA 12 HB3 ALA 12 38.833 9.713 1.541 107 H GLY 13 HN GLY 13 41.663 13.101 1.834 108 HA2 GLY 13 HA1 GLY 13 40.797 13.459 4.419 109 HA3 GLY 13 HA2 GLY 13 41.269 14.810 3.368 110 H PHE 14 HN PHE 14 38.628 12.956 4.732 111 HA PHE 14 HA PHE 14 36.362 13.417 4.898 112 HB2 PHE 14 HB2 PHE 14 37.321 16.284 4.508 113 HB3 PHE 14 HB1 PHE 14 35.719 15.799 5.108 114 HD1 PHE 14 HD1 PHE 14 39.090 16.583 6.065 115 HD2 PHE 14 HD2 PHE 14 35.686 14.162 7.161 116 HE1 PHE 14 HE1 PHE 14 39.993 16.357 8.375 117 HE2 PHE 14 HE2 PHE 14 36.590 13.939 9.472 118 HZ PHE 14 HZ PHE 14 38.763 15.003 10.067 119 H ILE 15 HN ILE 15 37.112 12.484 2.442 120 HA ILE 15 HA ILE 15 36.350 12.318 0.274 121 HB ILE 15 HB ILE 15 34.134 14.269 1.006 122 HG12 ILE 15 HG12 ILE 15 34.343 11.278 1.586 123 HG13 ILE 15 HG11 ILE 15 34.273 12.582 2.793 124 HG21 ILE 15 HG21 ILE 15 34.491 13.443 -1.390 125 HG22 ILE 15 HG22 ILE 15 32.887 13.124 -0.695 126 HG23 ILE 15 HG23 ILE 15 34.090 11.816 -0.795 127 HD11 ILE 15 HD1 ILE 15 32.040 11.799 2.692 128 HD12 ILE 15 HD2 ILE 15 32.088 11.609 0.925 129 HD13 ILE 15 HD3 ILE 15 32.017 13.237 1.645 130 H ILE 16 HN ILE 16 38.337 13.489 -0.265 131 HA ILE 16 HA ILE 16 37.637 15.972 -1.766 132 HB ILE 16 HB ILE 16 38.525 16.821 0.357 133 HG12 ILE 16 HG12 ILE 16 40.473 18.104 -0.490 134 HG13 ILE 16 HG11 ILE 16 40.611 17.000 -1.872 135 HG21 ILE 16 HG21 ILE 16 40.580 16.157 1.322 136 HG22 ILE 16 HG22 ILE 16 41.133 15.362 -0.165 137 HG23 ILE 16 HG23 ILE 16 39.838 14.628 0.805 138 HD11 ILE 16 HD1 ILE 16 38.624 17.791 -2.871 139 HD12 ILE 16 HD2 ILE 16 39.299 19.273 -2.160 140 HD13 ILE 16 HD3 ILE 16 37.979 18.415 -1.331 141 H ILE 17 HN ILE 17 40.369 13.756 -0.916 142 HA ILE 17 HA ILE 17 41.403 13.969 -3.674 143 HB ILE 17 HB ILE 17 42.302 12.749 -1.086 144 HG12 ILE 17 HG12 ILE 17 44.557 13.338 -2.039 145 HG13 ILE 17 HG11 ILE 17 43.755 13.842 -3.542 146 HG21 ILE 17 HG21 ILE 17 43.863 11.116 -2.264 147 HG22 ILE 17 HG22 ILE 17 42.871 11.329 -3.725 148 HG23 ILE 17 HG23 ILE 17 42.152 10.634 -2.253 149 HD11 ILE 17 HD1 ILE 17 42.383 15.472 -2.169 150 HD12 ILE 17 HD2 ILE 17 44.127 15.816 -2.178 151 HD13 ILE 17 HD3 ILE 17 43.385 15.036 -0.764 152 H GLY 18 HN GLY 18 39.387 11.876 -1.698 153 HA2 GLY 18 HA1 GLY 18 39.242 9.742 -3.685 154 HA3 GLY 18 HA2 GLY 18 38.222 9.934 -2.242 155 H GLY 19 HN GLY 19 37.102 12.394 -2.558 156 HA2 GLY 19 HA1 GLY 19 35.024 11.854 -4.462 157 HA3 GLY 19 HA2 GLY 19 35.288 13.382 -3.601 158 H ALA 20 HN ALA 20 37.806 14.140 -4.507 159 HA ALA 20 HA ALA 20 37.191 15.453 -6.920 160 HB1 ALA 20 HB1 ALA 20 39.044 16.190 -5.592 161 HB2 ALA 20 HB2 ALA 20 39.699 15.686 -7.168 162 HB3 ALA 20 HB3 ALA 20 39.864 14.618 -5.753 163 H LEU 21 HN LEU 21 39.668 12.867 -6.749 164 HA LEU 21 HA LEU 21 40.305 11.323 -8.351 165 HB2 LEU 21 HB2 LEU 21 38.266 10.204 -7.680 166 HB3 LEU 21 HB1 LEU 21 37.280 11.277 -8.698 167 HG LEU 21 HG LEU 21 38.210 10.318 -10.730 168 HD11 LEU 21 HD11 LEU 21 40.508 9.942 -10.240 169 HD12 LEU 21 HD12 LEU 21 39.839 8.307 -10.436 170 HD13 LEU 21 HD13 LEU 21 40.134 8.958 -8.805 171 HD21 LEU 21 HD21 LEU 21 37.555 8.138 -8.698 172 HD22 LEU 21 HD22 LEU 21 37.488 7.957 -10.467 173 HD23 LEU 21 HD23 LEU 21 36.372 9.073 -9.643 174 H ASP 22 HN ASP 22 41.515 12.580 -9.743 175 HA ASP 22 HA ASP 22 40.319 12.989 -12.404 176 HB2 ASP 22 HB2 ASP 22 41.364 15.355 -10.794 177 HB3 ASP 22 HB1 ASP 22 40.946 15.388 -12.524 178 H HIS 23 HN HIS 23 42.999 13.063 -10.136 179 HA HIS 23 HA HIS 23 44.810 11.998 -12.139 180 HB2 HIS 23 HB2 HIS 23 44.861 14.350 -12.866 181 HB3 HIS 23 HB1 HIS 23 45.262 14.864 -11.210 182 HD1 HIS 23 HD1 HIS 23 47.690 14.898 -10.570 183 HD2 HIS 23 HD2 HIS 23 46.975 12.558 -13.992 184 HE1 HIS 23 HE1 HIS 23 49.964 14.192 -11.498 185 H LEU 24 HN LEU 24 44.099 13.349 -8.986 186 HA LEU 24 HA LEU 24 46.631 12.451 -7.786 187 HB2 LEU 24 HB2 LEU 24 44.036 13.613 -6.717 188 HB3 LEU 24 HB1 LEU 24 45.303 13.007 -5.624 189 HG LEU 24 HG LEU 24 46.935 14.561 -6.589 190 HD11 LEU 24 HD11 LEU 24 45.968 16.349 -8.215 191 HD12 LEU 24 HD12 LEU 24 44.649 15.186 -8.498 192 HD13 LEU 24 HD13 LEU 24 46.330 14.741 -8.882 193 HD21 LEU 24 HD21 LEU 24 44.282 15.916 -5.917 194 HD22 LEU 24 HD22 LEU 24 45.882 16.695 -5.864 195 HD23 LEU 24 HD23 LEU 24 45.501 15.366 -4.743 Start of MODEL 60 1 H1 GLY 1 HT1 GLY 1 57.887 -4.174 -0.640 2 H2 GLY 1 HT2 GLY 1 58.368 -3.826 0.953 3 H3 GLY 1 HT3 GLY 1 58.284 -2.585 -0.205 4 HA2 GLY 1 HA1 GLY 1 55.913 -2.920 -0.400 5 HA3 GLY 1 HA2 GLY 1 56.033 -4.145 0.877 6 H LYS 2 HN LYS 2 57.339 -0.839 0.336 7 HA LYS 2 HA LYS 2 55.800 0.247 2.555 8 HB2 LYS 2 HB2 LYS 2 57.656 0.708 4.082 9 HB3 LYS 2 HB1 LYS 2 57.533 -1.046 3.809 10 HG2 LYS 2 HG2 LYS 2 59.288 -0.771 1.973 11 HG3 LYS 2 HG1 LYS 2 59.527 0.891 2.564 12 HD2 LYS 2 HD2 LYS 2 59.985 -0.048 4.855 13 HD3 LYS 2 HD1 LYS 2 59.900 -1.682 4.154 14 HE2 LYS 2 HE2 LYS 2 61.803 0.502 3.203 15 HE3 LYS 2 HE1 LYS 2 62.251 -0.802 4.328 16 HZ1 LYS 2 HZ1 LYS 2 61.155 -2.225 2.382 17 HZ2 LYS 2 HZ2 LYS 2 62.803 -1.812 2.399 18 HZ3 LYS 2 HZ3 LYS 2 61.709 -0.914 1.460 19 H GLY 3 HN GLY 3 57.818 2.275 3.219 20 HA2 GLY 3 HA1 GLY 3 58.113 4.535 2.445 21 HA3 GLY 3 HA2 GLY 3 58.826 3.683 0.964 22 H ARG 4 HN ARG 4 56.598 4.357 2.997 23 HA ARG 4 HA ARG 4 55.930 6.296 2.335 24 HB2 ARG 4 HB2 ARG 4 54.415 4.743 0.291 25 HB3 ARG 4 HB1 ARG 4 53.458 6.032 1.067 26 HG2 ARG 4 HG2 ARG 4 54.672 7.756 0.093 27 HG3 ARG 4 HG1 ARG 4 56.199 6.866 0.099 28 HD2 ARG 4 HD2 ARG 4 55.044 7.338 -2.196 29 HD3 ARG 4 HD1 ARG 4 55.653 5.695 -1.898 30 HE ARG 4 HE ARG 4 53.421 5.019 -2.196 31 HH11 ARG 4 HH11 ARG 4 51.604 5.027 -0.522 32 HH12 ARG 4 HH12 ARG 4 50.755 6.534 -0.427 33 HH21 ARG 4 HH21 ARG 4 53.179 8.311 -2.159 34 HH22 ARG 4 HH22 ARG 4 51.648 8.394 -1.354 35 H TRP 5 HN TRP 5 55.209 3.427 3.483 36 HA TRP 5 HA TRP 5 52.682 3.238 4.586 37 HB2 TRP 5 HB2 TRP 5 54.580 1.666 5.007 38 HB3 TRP 5 HB1 TRP 5 55.273 2.872 6.120 39 HD1 TRP 5 HD1 TRP 5 54.590 2.603 8.548 40 HE1 TRP 5 HE1 TRP 5 52.653 1.469 9.861 41 HE3 TRP 5 HE3 TRP 5 51.771 0.982 4.592 42 HZ2 TRP 5 HZ2 TRP 5 50.221 0.056 9.247 43 HZ3 TRP 5 HZ3 TRP 5 49.646 -0.257 4.980 44 HH2 TRP 5 HH2 TRP 5 48.869 -0.722 7.301 45 H LEU 6 HN LEU 6 55.114 5.622 5.199 46 HA LEU 6 HA LEU 6 53.762 6.685 7.627 47 HB2 LEU 6 HB2 LEU 6 56.191 7.785 6.168 48 HB3 LEU 6 HB1 LEU 6 55.678 8.116 7.837 49 HG LEU 6 HG LEU 6 56.534 5.374 6.796 50 HD11 LEU 6 HD11 LEU 6 58.596 5.784 8.120 51 HD12 LEU 6 HD12 LEU 6 58.026 7.432 8.481 52 HD13 LEU 6 HD13 LEU 6 58.412 6.970 6.806 53 HD21 LEU 6 HD21 LEU 6 56.725 4.989 9.353 54 HD22 LEU 6 HD22 LEU 6 55.084 5.056 8.676 55 HD23 LEU 6 HD23 LEU 6 55.750 6.468 9.532 56 H GLU 7 HN GLU 7 54.113 7.314 4.134 57 HA GLU 7 HA GLU 7 53.093 10.077 4.408 58 HB2 GLU 7 HB2 GLU 7 53.421 8.268 1.988 59 HB3 GLU 7 HB1 GLU 7 53.011 9.998 1.933 60 HG2 GLU 7 HG2 GLU 7 55.154 10.417 3.279 61 HG3 GLU 7 HG1 GLU 7 55.581 8.719 2.958 62 H ARG 8 HN ARG 8 51.616 7.359 5.169 63 HA ARG 8 HA ARG 8 49.192 7.521 3.531 64 HB2 ARG 8 HB2 ARG 8 50.019 5.413 4.607 65 HB3 ARG 8 HB1 ARG 8 49.639 6.120 6.196 66 HG2 ARG 8 HG2 ARG 8 47.278 6.331 5.587 67 HG3 ARG 8 HG1 ARG 8 47.622 5.755 3.937 68 HD2 ARG 8 HD2 ARG 8 46.753 3.882 5.221 69 HD3 ARG 8 HD1 ARG 8 48.489 3.606 4.944 70 HE ARG 8 HE ARG 8 48.269 4.961 7.417 71 HH11 ARG 8 HH11 ARG 8 45.894 2.841 6.972 72 HH12 ARG 8 HH12 ARG 8 46.499 1.576 7.989 73 HH21 ARG 8 HH21 ARG 8 49.659 2.971 8.297 74 HH22 ARG 8 HH22 ARG 8 48.630 1.649 8.739 75 H ILE 9 HN ILE 9 48.597 9.744 3.760 76 HA ILE 9 HA ILE 9 48.022 10.839 6.398 77 HB ILE 9 HB ILE 9 48.579 12.240 4.375 78 HG12 ILE 9 HG12 ILE 9 45.858 12.809 5.642 79 HG13 ILE 9 HG11 ILE 9 47.426 13.145 6.412 80 HG21 ILE 9 HG21 ILE 9 46.973 12.589 2.636 81 HG22 ILE 9 HG22 ILE 9 45.697 11.730 3.533 82 HG23 ILE 9 HG23 ILE 9 47.065 10.825 2.844 83 HD11 ILE 9 HD1 ILE 9 47.974 14.528 4.285 84 HD12 ILE 9 HD2 ILE 9 46.791 15.214 5.423 85 HD13 ILE 9 HD3 ILE 9 46.233 14.427 3.929 86 H GLY 10 HN GLY 10 46.099 9.412 3.748 87 HA2 GLY 10 HA1 GLY 10 43.959 8.543 3.751 88 HA3 GLY 10 HA2 GLY 10 44.150 8.309 5.499 89 H LYS 11 HN LYS 11 43.916 11.193 3.362 90 HA LYS 11 HA LYS 11 41.288 11.899 4.329 91 HB2 LYS 11 HB2 LYS 11 42.718 12.359 6.385 92 HB3 LYS 11 HB1 LYS 11 43.536 13.622 5.436 93 HG2 LYS 11 HG2 LYS 11 41.366 14.744 5.041 94 HG3 LYS 11 HG1 LYS 11 40.536 13.476 5.975 95 HD2 LYS 11 HD2 LYS 11 41.840 14.078 7.982 96 HD3 LYS 11 HD1 LYS 11 42.706 15.327 7.055 97 HE2 LYS 11 HE2 LYS 11 40.908 16.404 8.297 98 HE3 LYS 11 HE1 LYS 11 40.484 16.416 6.568 99 HZ1 LYS 11 HZ1 LYS 11 38.629 15.355 7.102 100 HZ2 LYS 11 HZ2 LYS 11 39.101 15.225 8.729 101 HZ3 LYS 11 HZ3 LYS 11 39.542 14.021 7.615 102 H ALA 12 HN ALA 12 41.607 11.809 1.864 103 HA ALA 12 HA ALA 12 42.933 14.156 0.687 104 HB1 ALA 12 HB1 ALA 12 42.737 11.871 -0.397 105 HB2 ALA 12 HB2 ALA 12 42.246 13.248 -1.413 106 HB3 ALA 12 HB3 ALA 12 41.010 12.223 -0.643 107 H GLY 13 HN GLY 13 41.120 15.011 2.601 108 HA2 GLY 13 HA1 GLY 13 39.465 16.615 2.810 109 HA3 GLY 13 HA2 GLY 13 39.531 16.835 1.050 110 H PHE 14 HN PHE 14 38.388 14.473 3.500 111 HA PHE 14 HA PHE 14 36.481 13.150 3.520 112 HB2 PHE 14 HB2 PHE 14 35.501 15.471 3.709 113 HB3 PHE 14 HB1 PHE 14 35.230 15.436 1.950 114 HD1 PHE 14 HD1 PHE 14 34.611 13.362 5.039 115 HD2 PHE 14 HD2 PHE 14 33.188 14.547 1.139 116 HE1 PHE 14 HE1 PHE 14 32.515 12.066 5.409 117 HE2 PHE 14 HE2 PHE 14 31.093 13.250 1.511 118 HZ PHE 14 HZ PHE 14 30.791 11.949 3.614 119 H ILE 15 HN ILE 15 38.361 12.848 1.274 120 HA ILE 15 HA ILE 15 38.483 11.663 -0.688 121 HB ILE 15 HB ILE 15 35.582 10.832 -0.272 122 HG12 ILE 15 HG12 ILE 15 38.115 9.718 1.021 123 HG13 ILE 15 HG11 ILE 15 36.767 10.520 1.861 124 HG21 ILE 15 HG21 ILE 15 37.937 9.248 -1.377 125 HG22 ILE 15 HG22 ILE 15 36.892 10.254 -2.405 126 HG23 ILE 15 HG23 ILE 15 36.201 8.879 -1.517 127 HD11 ILE 15 HD1 ILE 15 36.804 7.807 0.498 128 HD12 ILE 15 HD2 ILE 15 35.271 8.661 0.806 129 HD13 ILE 15 HD3 ILE 15 36.329 8.209 2.164 130 H ILE 16 HN ILE 16 38.446 14.009 -1.326 131 HA ILE 16 HA ILE 16 36.389 14.349 -3.493 132 HB ILE 16 HB ILE 16 37.556 16.483 -1.661 133 HG12 ILE 16 HG12 ILE 16 35.644 14.938 -0.773 134 HG13 ILE 16 HG11 ILE 16 35.447 16.691 -0.612 135 HG21 ILE 16 HG21 ILE 16 35.904 17.984 -2.910 136 HG22 ILE 16 HG22 ILE 16 35.705 16.654 -4.078 137 HG23 ILE 16 HG23 ILE 16 37.292 17.424 -3.868 138 HD11 ILE 16 HD1 ILE 16 34.291 15.113 -2.953 139 HD12 ILE 16 HD2 ILE 16 33.918 16.781 -2.472 140 HD13 ILE 16 HD3 ILE 16 33.396 15.423 -1.451 141 H ILE 17 HN ILE 17 39.539 15.388 -2.128 142 HA ILE 17 HA ILE 17 40.555 16.312 -4.689 143 HB ILE 17 HB ILE 17 41.883 15.620 -2.027 144 HG12 ILE 17 HG12 ILE 17 42.265 18.032 -1.916 145 HG13 ILE 17 HG11 ILE 17 41.633 18.247 -3.563 146 HG21 ILE 17 HG21 ILE 17 43.952 16.734 -3.098 147 HG22 ILE 17 HG22 ILE 17 43.160 16.447 -4.667 148 HG23 ILE 17 HG23 ILE 17 43.591 15.072 -3.621 149 HD11 ILE 17 HD1 ILE 17 40.034 18.759 -1.576 150 HD12 ILE 17 HD2 ILE 17 39.930 16.994 -1.378 151 HD13 ILE 17 HD3 ILE 17 39.410 17.754 -2.902 152 H GLY 18 HN GLY 18 40.945 13.374 -2.696 153 HA2 GLY 18 HA1 GLY 18 42.551 12.021 -4.726 154 HA3 GLY 18 HA2 GLY 18 41.881 11.312 -3.240 155 H GLY 19 HN GLY 19 39.170 11.932 -3.576 156 HA2 GLY 19 HA1 GLY 19 38.313 9.744 -5.176 157 HA3 GLY 19 HA2 GLY 19 37.279 11.059 -4.582 158 H ALA 20 HN ALA 20 38.258 13.269 -5.854 159 HA ALA 20 HA ALA 20 36.995 13.143 -8.373 160 HB1 ALA 20 HB1 ALA 20 37.468 15.243 -7.217 161 HB2 ALA 20 HB2 ALA 20 38.166 15.271 -8.854 162 HB3 ALA 20 HB3 ALA 20 39.215 14.996 -7.442 163 H LEU 21 HN LEU 21 40.484 12.904 -7.579 164 HA LEU 21 HA LEU 21 42.266 12.189 -8.871 165 HB2 LEU 21 HB2 LEU 21 40.450 10.156 -8.744 166 HB3 LEU 21 HB1 LEU 21 40.519 10.354 -10.506 167 HG LEU 21 HG LEU 21 42.934 9.929 -8.681 168 HD11 LEU 21 HD11 LEU 21 41.451 7.935 -8.890 169 HD12 LEU 21 HD12 LEU 21 43.021 7.688 -9.693 170 HD13 LEU 21 HD13 LEU 21 41.573 8.052 -10.662 171 HD21 LEU 21 HD21 LEU 21 42.646 10.051 -11.718 172 HD22 LEU 21 HD22 LEU 21 44.129 9.588 -10.851 173 HD23 LEU 21 HD23 LEU 21 43.486 11.239 -10.692 174 H ASP 22 HN ASP 22 40.883 14.521 -9.777 175 HA ASP 22 HA ASP 22 40.616 14.321 -12.700 176 HB2 ASP 22 HB2 ASP 22 40.617 16.681 -10.778 177 HB3 ASP 22 HB1 ASP 22 40.325 16.809 -12.530 178 H HIS 23 HN HIS 23 42.408 16.908 -11.076 179 HA HIS 23 HA HIS 23 44.480 16.807 -13.119 180 HB2 HIS 23 HB2 HIS 23 45.548 18.585 -11.674 181 HB3 HIS 23 HB1 HIS 23 43.883 18.948 -12.186 182 HD1 HIS 23 HD1 HIS 23 46.010 18.253 -9.183 183 HD2 HIS 23 HD2 HIS 23 41.931 18.741 -10.078 184 HE1 HIS 23 HE1 HIS 23 44.768 18.505 -6.964 185 H LEU 24 HN LEU 24 44.042 15.484 -9.901 186 HA LEU 24 HA LEU 24 46.872 14.972 -9.432 187 HB2 LEU 24 HB2 LEU 24 44.833 15.110 -7.752 188 HB3 LEU 24 HB1 LEU 24 44.634 13.387 -8.132 189 HG LEU 24 HG LEU 24 47.162 14.720 -7.052 190 HD11 LEU 24 HD11 LEU 24 46.688 13.399 -5.029 191 HD12 LEU 24 HD12 LEU 24 45.237 12.714 -5.797 192 HD13 LEU 24 HD13 LEU 24 45.304 14.450 -5.411 193 HD21 LEU 24 HD21 LEU 24 46.550 11.889 -7.990 194 HD22 LEU 24 HD22 LEU 24 47.830 12.210 -6.795 195 HD23 LEU 24 HD23 LEU 24 47.931 12.927 -8.417 Start of MODEL 61 1 H1 GLY 1 HT1 GLY 1 51.993 -0.170 14.279 2 H2 GLY 1 HT2 GLY 1 50.872 1.102 14.390 3 H3 GLY 1 HT3 GLY 1 52.397 1.366 13.688 4 HA2 GLY 1 HA1 GLY 1 51.547 -0.612 12.180 5 HA3 GLY 1 HA2 GLY 1 50.011 0.174 12.598 6 H LYS 2 HN LYS 2 53.354 1.242 11.811 7 HA LYS 2 HA LYS 2 52.306 3.564 10.346 8 HB2 LYS 2 HB2 LYS 2 55.139 2.462 10.486 9 HB3 LYS 2 HB1 LYS 2 54.652 4.090 9.951 10 HG2 LYS 2 HG2 LYS 2 53.573 4.362 12.279 11 HG3 LYS 2 HG1 LYS 2 54.468 2.895 12.745 12 HD2 LYS 2 HD2 LYS 2 55.698 5.462 11.641 13 HD3 LYS 2 HD1 LYS 2 55.740 4.935 13.341 14 HE2 LYS 2 HE2 LYS 2 57.833 4.219 12.506 15 HE3 LYS 2 HE1 LYS 2 56.840 2.748 12.393 16 HZ1 LYS 2 HZ1 LYS 2 58.224 3.867 10.353 17 HZ2 LYS 2 HZ2 LYS 2 56.658 4.466 10.080 18 HZ3 LYS 2 HZ3 LYS 2 56.926 2.790 10.173 19 H GLY 3 HN GLY 3 51.097 1.499 9.152 20 HA2 GLY 3 HA1 GLY 3 52.311 0.049 7.076 21 HA3 GLY 3 HA2 GLY 3 50.680 0.837 6.872 22 H ARG 4 HN ARG 4 50.538 2.803 7.054 23 HA ARG 4 HA ARG 4 50.535 2.572 4.644 24 HB2 ARG 4 HB2 ARG 4 50.044 5.242 6.043 25 HB3 ARG 4 HB1 ARG 4 49.575 4.924 4.355 26 HG2 ARG 4 HG2 ARG 4 48.225 2.977 5.100 27 HG3 ARG 4 HG1 ARG 4 48.679 3.312 6.789 28 HD2 ARG 4 HD2 ARG 4 47.662 5.600 6.554 29 HD3 ARG 4 HD1 ARG 4 47.103 5.143 4.928 30 HE ARG 4 HE ARG 4 46.246 3.231 6.944 31 HH11 ARG 4 HH11 ARG 4 44.774 4.758 8.460 32 HH12 ARG 4 HH12 ARG 4 43.474 5.439 7.539 33 HH21 ARG 4 HH21 ARG 4 44.945 4.774 4.471 34 HH22 ARG 4 HH22 ARG 4 43.572 5.450 5.282 35 H TRP 5 HN TRP 5 53.022 3.626 6.345 36 HA TRP 5 HA TRP 5 54.403 5.733 5.154 37 HB2 TRP 5 HB2 TRP 5 55.243 4.255 7.023 38 HB3 TRP 5 HB1 TRP 5 55.716 3.061 5.790 39 HD1 TRP 5 HD1 TRP 5 56.228 6.880 6.315 40 HE1 TRP 5 HE1 TRP 5 58.672 7.495 5.670 41 HE3 TRP 5 HE3 TRP 5 57.880 2.245 4.903 42 HZ2 TRP 5 HZ2 TRP 5 61.005 6.131 4.678 43 HZ3 TRP 5 HZ3 TRP 5 60.218 1.925 4.109 44 HH2 TRP 5 HH2 TRP 5 61.782 3.861 3.997 45 H LEU 6 HN LEU 6 53.431 2.791 3.654 46 HA LEU 6 HA LEU 6 55.104 3.418 1.224 47 HB2 LEU 6 HB2 LEU 6 53.912 0.728 1.995 48 HB3 LEU 6 HB1 LEU 6 55.060 1.071 0.680 49 HG LEU 6 HG LEU 6 55.646 1.474 3.650 50 HD11 LEU 6 HD11 LEU 6 57.057 -0.538 3.426 51 HD12 LEU 6 HD12 LEU 6 56.556 -0.714 1.727 52 HD13 LEU 6 HD13 LEU 6 55.364 -0.918 3.034 53 HD21 LEU 6 HD21 LEU 6 57.060 2.957 2.431 54 HD22 LEU 6 HD22 LEU 6 57.268 1.803 1.091 55 HD23 LEU 6 HD23 LEU 6 58.060 1.506 2.657 56 H GLU 7 HN GLU 7 51.899 3.155 2.595 57 HA GLU 7 HA GLU 7 50.641 2.733 -0.068 58 HB2 GLU 7 HB2 GLU 7 49.368 3.337 2.629 59 HB3 GLU 7 HB1 GLU 7 48.542 2.764 1.163 60 HG2 GLU 7 HG2 GLU 7 50.756 1.242 2.611 61 HG3 GLU 7 HG1 GLU 7 49.016 0.922 2.806 62 H ARG 8 HN ARG 8 52.089 5.272 1.483 63 HA ARG 8 HA ARG 8 51.947 7.573 1.244 64 HB2 ARG 8 HB2 ARG 8 52.063 6.840 -1.181 65 HB3 ARG 8 HB1 ARG 8 50.289 6.973 -1.233 66 HG2 ARG 8 HG2 ARG 8 50.415 9.344 -0.604 67 HG3 ARG 8 HG1 ARG 8 52.184 9.231 -0.451 68 HD2 ARG 8 HD2 ARG 8 50.562 8.811 -2.998 69 HD3 ARG 8 HD1 ARG 8 51.612 10.199 -2.632 70 HE ARG 8 HE ARG 8 52.507 7.677 -3.675 71 HH11 ARG 8 HH11 ARG 8 54.086 10.207 -3.827 72 HH12 ARG 8 HH12 ARG 8 55.419 9.874 -2.771 73 HH21 ARG 8 HH21 ARG 8 53.868 7.183 -1.230 74 HH22 ARG 8 HH22 ARG 8 55.295 8.162 -1.301 75 H ILE 9 HN ILE 9 50.797 8.457 2.846 76 HA ILE 9 HA ILE 9 47.795 8.502 2.560 77 HB ILE 9 HB ILE 9 48.440 7.278 4.562 78 HG12 ILE 9 HG12 ILE 9 47.332 8.615 6.296 79 HG13 ILE 9 HG11 ILE 9 47.579 10.100 5.361 80 HG21 ILE 9 HG21 ILE 9 49.891 9.689 5.702 81 HG22 ILE 9 HG22 ILE 9 50.759 8.534 4.665 82 HG23 ILE 9 HG23 ILE 9 49.999 7.978 6.171 83 HD11 ILE 9 HD1 ILE 9 45.252 8.889 5.218 84 HD12 ILE 9 HD2 ILE 9 46.090 7.752 4.137 85 HD13 ILE 9 HD3 ILE 9 45.994 9.480 3.715 86 H GLY 10 HN GLY 10 47.799 10.316 1.212 87 HA2 GLY 10 HA1 GLY 10 49.139 12.770 2.006 88 HA3 GLY 10 HA2 GLY 10 47.927 12.586 0.721 89 H LYS 11 HN LYS 11 46.596 11.146 3.314 90 HA LYS 11 HA LYS 11 44.627 11.778 4.419 91 HB2 LYS 11 HB2 LYS 11 45.170 13.284 6.345 92 HB3 LYS 11 HB1 LYS 11 46.318 11.945 6.126 93 HG2 LYS 11 HG2 LYS 11 47.952 13.396 5.108 94 HG3 LYS 11 HG1 LYS 11 46.782 14.732 4.989 95 HD2 LYS 11 HD2 LYS 11 46.713 14.998 7.385 96 HD3 LYS 11 HD1 LYS 11 47.634 13.494 7.636 97 HE2 LYS 11 HE2 LYS 11 48.696 15.961 6.191 98 HE3 LYS 11 HE1 LYS 11 49.055 15.540 7.883 99 HZ1 LYS 11 HZ1 LYS 11 50.418 14.684 5.659 100 HZ2 LYS 11 HZ2 LYS 11 49.491 13.335 6.118 101 HZ3 LYS 11 HZ3 LYS 11 50.555 14.056 7.229 102 H ALA 12 HN ALA 12 44.785 13.127 1.885 103 HA ALA 12 HA ALA 12 44.006 15.927 2.373 104 HB1 ALA 12 HB1 ALA 12 43.765 16.060 -0.015 105 HB2 ALA 12 HB2 ALA 12 43.744 14.286 -0.168 106 HB3 ALA 12 HB3 ALA 12 45.238 15.120 0.323 107 H GLY 13 HN GLY 13 42.475 13.854 3.734 108 HA2 GLY 13 HA1 GLY 13 40.226 13.655 4.300 109 HA3 GLY 13 HA2 GLY 13 39.816 14.801 3.008 110 H PHE 14 HN PHE 14 41.214 11.497 3.290 111 HA PHE 14 HA PHE 14 40.748 9.579 2.073 112 HB2 PHE 14 HB2 PHE 14 38.547 9.893 3.229 113 HB3 PHE 14 HB1 PHE 14 37.968 10.791 1.805 114 HD1 PHE 14 HD1 PHE 14 39.586 7.521 2.758 115 HD2 PHE 14 HD2 PHE 14 36.969 9.592 0.018 116 HE1 PHE 14 HE1 PHE 14 39.048 5.363 1.638 117 HE2 PHE 14 HE2 PHE 14 36.431 7.431 -1.100 118 HZ PHE 14 HZ PHE 14 37.523 5.328 -0.332 119 H ILE 15 HN ILE 15 41.811 11.895 0.687 120 HA ILE 15 HA ILE 15 42.272 12.547 -1.466 121 HB ILE 15 HB ILE 15 40.785 10.070 -2.434 122 HG12 ILE 15 HG12 ILE 15 42.549 9.614 -0.582 123 HG13 ILE 15 HG11 ILE 15 42.714 8.723 -2.105 124 HG21 ILE 15 HG21 ILE 15 42.580 10.218 -4.242 125 HG22 ILE 15 HG22 ILE 15 42.994 11.818 -3.583 126 HG23 ILE 15 HG23 ILE 15 41.370 11.520 -4.245 127 HD11 ILE 15 HD1 ILE 15 44.874 9.707 -1.168 128 HD12 ILE 15 HD2 ILE 15 44.220 11.314 -1.544 129 HD13 ILE 15 HD3 ILE 15 44.510 10.144 -2.851 130 H ILE 16 HN ILE 16 40.631 14.133 -0.710 131 HA ILE 16 HA ILE 16 38.472 14.302 -2.794 132 HB ILE 16 HB ILE 16 38.242 15.031 0.154 133 HG12 ILE 16 HG12 ILE 16 38.032 12.525 -0.566 134 HG13 ILE 16 HG11 ILE 16 36.758 13.214 0.452 135 HG21 ILE 16 HG21 ILE 16 37.024 16.665 -1.138 136 HG22 ILE 16 HG22 ILE 16 35.820 15.523 -0.505 137 HG23 ILE 16 HG23 ILE 16 36.346 15.414 -2.203 138 HD11 ILE 16 HD1 ILE 16 36.539 13.080 -2.587 139 HD12 ILE 16 HD2 ILE 16 35.251 13.422 -1.414 140 HD13 ILE 16 HD3 ILE 16 35.957 11.794 -1.511 141 H ILE 17 HN ILE 17 40.283 16.025 -0.201 142 HA ILE 17 HA ILE 17 39.922 18.623 -1.448 143 HB ILE 17 HB ILE 17 41.843 17.565 0.678 144 HG12 ILE 17 HG12 ILE 17 40.539 19.021 2.158 145 HG13 ILE 17 HG11 ILE 17 39.624 19.659 0.774 146 HG21 ILE 17 HG21 ILE 17 42.399 20.068 1.012 147 HG22 ILE 17 HG22 ILE 17 41.733 20.319 -0.619 148 HG23 ILE 17 HG23 ILE 17 43.151 19.270 -0.389 149 HD11 ILE 17 HD1 ILE 17 39.658 16.686 1.398 150 HD12 ILE 17 HD2 ILE 17 38.484 17.609 0.433 151 HD13 ILE 17 HD3 ILE 17 38.515 17.788 2.200 152 H GLY 18 HN GLY 18 42.537 16.187 -1.372 153 HA2 GLY 18 HA1 GLY 18 44.219 17.708 -3.214 154 HA3 GLY 18 HA2 GLY 18 44.488 16.049 -2.638 155 H GLY 19 HN GLY 19 42.221 14.733 -3.409 156 HA2 GLY 19 HA1 GLY 19 42.749 14.200 -6.157 157 HA3 GLY 19 HA2 GLY 19 41.314 13.671 -5.254 158 H ALA 20 HN ALA 20 40.191 16.126 -4.576 159 HA ALA 20 HA ALA 20 38.674 17.633 -5.468 160 HB1 ALA 20 HB1 ALA 20 39.532 19.193 -7.083 161 HB2 ALA 20 HB2 ALA 20 40.764 18.029 -7.630 162 HB3 ALA 20 HB3 ALA 20 40.871 18.742 -6.001 163 H LEU 21 HN LEU 21 39.167 14.750 -6.774 164 HA LEU 21 HA LEU 21 38.139 13.513 -8.450 165 HB2 LEU 21 HB2 LEU 21 36.110 15.711 -7.919 166 HB3 LEU 21 HB1 LEU 21 35.797 14.446 -9.130 167 HG LEU 21 HG LEU 21 36.042 12.698 -7.444 168 HD11 LEU 21 HD11 LEU 21 36.281 13.479 -4.988 169 HD12 LEU 21 HD12 LEU 21 36.853 15.026 -5.658 170 HD13 LEU 21 HD13 LEU 21 37.748 13.523 -5.991 171 HD21 LEU 21 HD21 LEU 21 34.071 13.175 -6.121 172 HD22 LEU 21 HD22 LEU 21 33.852 13.966 -7.700 173 HD23 LEU 21 HD23 LEU 21 34.323 14.929 -6.279 174 H ASP 22 HN ASP 22 36.527 16.289 -9.803 175 HA ASP 22 HA ASP 22 36.691 17.208 -11.930 176 HB2 ASP 22 HB2 ASP 22 39.619 17.128 -11.110 177 HB3 ASP 22 HB1 ASP 22 39.017 17.984 -12.549 178 H HIS 23 HN HIS 23 39.856 15.655 -12.216 179 HA HIS 23 HA HIS 23 38.796 13.455 -13.871 180 HB2 HIS 23 HB2 HIS 23 40.507 15.652 -15.105 181 HB3 HIS 23 HB1 HIS 23 40.060 14.120 -15.890 182 HD1 HIS 23 HD1 HIS 23 38.623 17.427 -14.712 183 HD2 HIS 23 HD2 HIS 23 37.341 13.969 -16.735 184 HE1 HIS 23 HE1 HIS 23 36.334 17.940 -15.724 185 H LEU 24 HN LEU 24 40.712 14.413 -11.519 186 HA LEU 24 HA LEU 24 43.246 13.150 -12.401 187 HB2 LEU 24 HB2 LEU 24 43.082 15.193 -10.866 188 HB3 LEU 24 HB1 LEU 24 42.471 14.089 -9.616 189 HG LEU 24 HG LEU 24 44.636 12.660 -10.185 190 HD11 LEU 24 HD11 LEU 24 45.426 13.902 -12.127 191 HD12 LEU 24 HD12 LEU 24 46.564 14.180 -10.794 192 HD13 LEU 24 HD13 LEU 24 45.381 15.434 -11.225 193 HD21 LEU 24 HD21 LEU 24 45.921 13.950 -8.502 194 HD22 LEU 24 HD22 LEU 24 44.214 13.790 -8.023 195 HD23 LEU 24 HD23 LEU 24 44.809 15.324 -8.703 Start of MODEL 62 1 H1 GLY 1 HT1 GLY 1 61.154 2.521 0.050 2 H2 GLY 1 HT2 GLY 1 61.819 4.041 -0.321 3 H3 GLY 1 HT3 GLY 1 62.299 2.661 -1.191 4 HA2 GLY 1 HA1 GLY 1 60.548 4.363 -2.092 5 HA3 GLY 1 HA2 GLY 1 60.514 2.632 -2.477 6 H LYS 2 HN LYS 2 59.918 2.622 0.705 7 HA LYS 2 HA LYS 2 57.181 1.926 0.454 8 HB2 LYS 2 HB2 LYS 2 58.733 2.950 2.865 9 HB3 LYS 2 HB1 LYS 2 57.115 2.210 2.942 10 HG2 LYS 2 HG2 LYS 2 57.924 0.100 2.155 11 HG3 LYS 2 HG1 LYS 2 59.473 0.801 1.630 12 HD2 LYS 2 HD2 LYS 2 59.679 -0.480 3.770 13 HD3 LYS 2 HD1 LYS 2 60.112 1.235 3.957 14 HE2 LYS 2 HE2 LYS 2 58.563 0.191 5.757 15 HE3 LYS 2 HE1 LYS 2 58.072 1.751 5.059 16 HZ1 LYS 2 HZ1 LYS 2 56.209 0.253 5.095 17 HZ2 LYS 2 HZ2 LYS 2 57.082 -0.944 4.263 18 HZ3 LYS 2 HZ3 LYS 2 56.669 0.508 3.483 19 H GLY 3 HN GLY 3 57.444 4.293 2.913 20 HA2 GLY 3 HA1 GLY 3 56.808 6.674 2.793 21 HA3 GLY 3 HA2 GLY 3 55.943 6.370 1.219 22 H ARG 4 HN ARG 4 54.866 4.732 1.003 23 HA ARG 4 HA ARG 4 53.128 6.347 1.495 24 HB2 ARG 4 HB2 ARG 4 52.355 3.483 0.744 25 HB3 ARG 4 HB1 ARG 4 51.376 4.941 0.440 26 HG2 ARG 4 HG2 ARG 4 53.321 5.897 -0.856 27 HG3 ARG 4 HG1 ARG 4 54.151 4.332 -0.671 28 HD2 ARG 4 HD2 ARG 4 52.123 3.236 -1.739 29 HD3 ARG 4 HD1 ARG 4 51.517 4.870 -2.103 30 HE ARG 4 HE ARG 4 54.164 4.741 -3.097 31 HH11 ARG 4 HH11 ARG 4 53.792 2.056 -3.993 32 HH12 ARG 4 HH12 ARG 4 52.888 2.200 -5.463 33 HH21 ARG 4 HH21 ARG 4 51.837 5.440 -4.812 34 HH22 ARG 4 HH22 ARG 4 51.781 4.116 -5.928 35 H TRP 5 HN TRP 5 54.182 4.182 3.568 36 HA TRP 5 HA TRP 5 52.251 2.967 5.133 37 HB2 TRP 5 HB2 TRP 5 54.686 3.040 5.662 38 HB3 TRP 5 HB1 TRP 5 54.484 4.707 6.252 39 HD1 TRP 5 HD1 TRP 5 53.402 1.099 7.033 40 HE1 TRP 5 HE1 TRP 5 52.692 0.936 9.529 41 HE3 TRP 5 HE3 TRP 5 53.685 6.057 8.277 42 HZ2 TRP 5 HZ2 TRP 5 52.309 2.738 11.743 43 HZ3 TRP 5 HZ3 TRP 5 53.143 6.812 10.588 44 HH2 TRP 5 HH2 TRP 5 52.456 5.158 12.320 45 H LEU 6 HN LEU 6 52.577 6.368 4.558 46 HA LEU 6 HA LEU 6 50.554 7.008 6.688 47 HB2 LEU 6 HB2 LEU 6 52.806 8.225 6.627 48 HB3 LEU 6 HB1 LEU 6 52.273 8.938 5.090 49 HG LEU 6 HG LEU 6 50.110 9.635 6.448 50 HD11 LEU 6 HD11 LEU 6 50.515 8.426 8.520 51 HD12 LEU 6 HD12 LEU 6 50.702 10.159 8.858 52 HD13 LEU 6 HD13 LEU 6 52.141 9.132 8.673 53 HD21 LEU 6 HD21 LEU 6 52.817 10.956 6.936 54 HD22 LEU 6 HD22 LEU 6 51.233 11.736 7.160 55 HD23 LEU 6 HD23 LEU 6 51.755 11.231 5.534 56 H GLU 7 HN GLU 7 51.214 6.944 3.203 57 HA GLU 7 HA GLU 7 48.630 8.387 2.675 58 HB2 GLU 7 HB2 GLU 7 50.942 7.567 0.873 59 HB3 GLU 7 HB1 GLU 7 49.445 8.342 0.301 60 HG2 GLU 7 HG2 GLU 7 49.885 10.256 1.855 61 HG3 GLU 7 HG1 GLU 7 51.424 9.493 2.320 62 H ARG 8 HN ARG 8 49.044 5.549 3.731 63 HA ARG 8 HA ARG 8 48.500 3.619 1.755 64 HB2 ARG 8 HB2 ARG 8 48.942 3.178 4.183 65 HB3 ARG 8 HB1 ARG 8 47.287 3.724 4.543 66 HG2 ARG 8 HG2 ARG 8 46.341 1.955 3.159 67 HG3 ARG 8 HG1 ARG 8 47.963 1.464 2.612 68 HD2 ARG 8 HD2 ARG 8 48.581 0.826 4.898 69 HD3 ARG 8 HD1 ARG 8 47.013 1.407 5.511 70 HE ARG 8 HE ARG 8 46.130 -0.670 4.851 71 HH11 ARG 8 HH11 ARG 8 46.011 -0.669 2.071 72 HH12 ARG 8 HH12 ARG 8 47.238 -1.766 1.530 73 HH21 ARG 8 HH21 ARG 8 48.960 -1.741 4.540 74 HH22 ARG 8 HH22 ARG 8 48.907 -2.373 2.928 75 H ILE 9 HN ILE 9 46.090 5.386 3.765 76 HA ILE 9 HA ILE 9 43.868 4.413 2.174 77 HB ILE 9 HB ILE 9 42.536 6.118 3.430 78 HG12 ILE 9 HG12 ILE 9 45.295 6.876 4.501 79 HG13 ILE 9 HG11 ILE 9 44.198 7.911 3.558 80 HG21 ILE 9 HG21 ILE 9 42.749 5.048 5.570 81 HG22 ILE 9 HG22 ILE 9 44.468 4.676 5.293 82 HG23 ILE 9 HG23 ILE 9 43.211 3.822 4.367 83 HD11 ILE 9 HD1 ILE 9 42.483 7.502 5.480 84 HD12 ILE 9 HD2 ILE 9 43.844 8.603 5.798 85 HD13 ILE 9 HD3 ILE 9 43.887 6.936 6.416 86 H GLY 10 HN GLY 10 45.893 7.325 2.160 87 HA2 GLY 10 HA1 GLY 10 46.171 8.888 0.465 88 HA3 GLY 10 HA2 GLY 10 45.125 7.902 -0.575 89 H LYS 11 HN LYS 11 43.068 8.036 1.738 90 HA LYS 11 HA LYS 11 41.625 10.309 0.633 91 HB2 LYS 11 HB2 LYS 11 41.018 8.633 3.100 92 HB3 LYS 11 HB1 LYS 11 39.880 9.694 2.233 93 HG2 LYS 11 HG2 LYS 11 40.363 8.281 0.145 94 HG3 LYS 11 HG1 LYS 11 41.186 7.133 1.228 95 HD2 LYS 11 HD2 LYS 11 38.284 8.046 1.477 96 HD3 LYS 11 HD1 LYS 11 38.826 6.471 0.852 97 HE2 LYS 11 HE2 LYS 11 40.060 6.219 3.139 98 HE3 LYS 11 HE1 LYS 11 39.005 7.548 3.684 99 HZ1 LYS 11 HZ1 LYS 11 37.089 6.224 2.941 100 HZ2 LYS 11 HZ2 LYS 11 37.981 5.441 4.157 101 HZ3 LYS 11 HZ3 LYS 11 38.127 4.945 2.540 102 H ALA 12 HN ALA 12 42.721 12.209 1.031 103 HA ALA 12 HA ALA 12 43.908 12.925 3.517 104 HB1 ALA 12 HB1 ALA 12 43.686 15.263 2.685 105 HB2 ALA 12 HB2 ALA 12 42.659 14.662 1.360 106 HB3 ALA 12 HB3 ALA 12 44.361 14.154 1.469 107 H GLY 13 HN GLY 13 40.687 12.293 2.831 108 HA2 GLY 13 HA1 GLY 13 38.746 12.644 4.034 109 HA3 GLY 13 HA2 GLY 13 39.779 13.051 5.420 110 H PHE 14 HN PHE 14 40.342 14.900 2.608 111 HA PHE 14 HA PHE 14 38.321 16.946 3.081 112 HB2 PHE 14 HB2 PHE 14 39.855 17.338 5.021 113 HB3 PHE 14 HB1 PHE 14 41.191 17.590 3.872 114 HD1 PHE 14 HD1 PHE 14 41.555 19.753 2.957 115 HD2 PHE 14 HD2 PHE 14 37.712 18.793 4.675 116 HE1 PHE 14 HE1 PHE 14 40.833 22.120 2.668 117 HE2 PHE 14 HE2 PHE 14 36.993 21.161 4.385 118 HZ PHE 14 HZ PHE 14 38.546 22.820 3.363 119 H ILE 15 HN ILE 15 41.499 16.028 1.794 120 HA ILE 15 HA ILE 15 40.942 17.688 -0.661 121 HB ILE 15 HB ILE 15 43.636 16.540 0.157 122 HG12 ILE 15 HG12 ILE 15 42.456 19.278 0.811 123 HG13 ILE 15 HG11 ILE 15 42.844 17.999 1.985 124 HG21 ILE 15 HG21 ILE 15 44.522 18.106 -1.427 125 HG22 ILE 15 HG22 ILE 15 42.969 18.969 -1.548 126 HG23 ILE 15 HG23 ILE 15 43.137 17.334 -2.229 127 HD11 ILE 15 HD1 ILE 15 44.744 19.678 0.317 128 HD12 ILE 15 HD2 ILE 15 45.262 18.121 1.010 129 HD13 ILE 15 HD3 ILE 15 44.725 19.440 2.079 130 H ILE 16 HN ILE 16 39.467 15.572 -0.710 131 HA ILE 16 HA ILE 16 40.749 13.878 -2.764 132 HB ILE 16 HB ILE 16 41.239 12.696 -0.609 133 HG12 ILE 16 HG12 ILE 16 40.183 10.502 -1.245 134 HG13 ILE 16 HG11 ILE 16 39.153 11.360 -2.409 135 HG21 ILE 16 HG21 ILE 16 39.514 11.912 0.829 136 HG22 ILE 16 HG22 ILE 16 38.239 12.320 -0.339 137 HG23 ILE 16 HG23 ILE 16 39.118 13.616 0.508 138 HD11 ILE 16 HD1 ILE 16 41.439 10.246 -3.207 139 HD12 ILE 16 HD2 ILE 16 42.160 11.738 -2.561 140 HD13 ILE 16 HD3 ILE 16 40.944 11.823 -3.860 141 H ILE 17 HN ILE 17 37.907 14.512 -0.684 142 HA ILE 17 HA ILE 17 36.089 13.731 -2.928 143 HB ILE 17 HB ILE 17 34.321 14.541 -1.089 144 HG12 ILE 17 HG12 ILE 17 35.137 14.259 1.212 145 HG13 ILE 17 HG11 ILE 17 36.775 13.915 0.618 146 HG21 ILE 17 HG21 ILE 17 34.510 12.248 0.015 147 HG22 ILE 17 HG22 ILE 17 35.986 11.995 -0.947 148 HG23 ILE 17 HG23 ILE 17 34.424 12.236 -1.762 149 HD11 ILE 17 HD1 ILE 17 36.290 16.325 1.434 150 HD12 ILE 17 HD2 ILE 17 35.351 16.513 -0.065 151 HD13 ILE 17 HD3 ILE 17 37.094 16.148 -0.142 152 H GLY 18 HN GLY 18 37.996 16.234 -2.250 153 HA2 GLY 18 HA1 GLY 18 36.095 18.222 -3.453 154 HA3 GLY 18 HA2 GLY 18 37.075 18.649 -2.035 155 H GLY 19 HN GLY 19 39.549 17.801 -2.438 156 HA2 GLY 19 HA1 GLY 19 40.571 19.595 -4.393 157 HA3 GLY 19 HA2 GLY 19 41.480 18.286 -3.613 158 H ALA 20 HN ALA 20 40.130 16.046 -4.489 159 HA ALA 20 HA ALA 20 40.236 14.574 -6.278 160 HB1 ALA 20 HB1 ALA 20 38.970 15.193 -8.212 161 HB2 ALA 20 HB2 ALA 20 39.244 16.927 -7.913 162 HB3 ALA 20 HB3 ALA 20 38.206 15.986 -6.815 163 H LEU 21 HN LEU 21 42.700 15.700 -5.703 164 HA LEU 21 HA LEU 21 43.983 16.896 -7.973 165 HB2 LEU 21 HB2 LEU 21 44.969 15.309 -5.584 166 HB3 LEU 21 HB1 LEU 21 46.096 15.860 -6.838 167 HG LEU 21 HG LEU 21 45.832 17.390 -4.802 168 HD11 LEU 21 HD11 LEU 21 45.028 18.854 -7.346 169 HD12 LEU 21 HD12 LEU 21 46.623 18.086 -7.192 170 HD13 LEU 21 HD13 LEU 21 46.140 19.366 -6.060 171 HD21 LEU 21 HD21 LEU 21 43.318 17.077 -4.683 172 HD22 LEU 21 HD22 LEU 21 43.177 18.126 -6.112 173 HD23 LEU 21 HD23 LEU 21 43.861 18.767 -4.602 174 H ASP 22 HN ASP 22 43.757 15.972 -9.930 175 HA ASP 22 HA ASP 22 43.970 14.386 -11.607 176 HB2 ASP 22 HB2 ASP 22 46.350 14.481 -10.749 177 HB3 ASP 22 HB1 ASP 22 45.981 13.049 -9.758 178 H HIS 23 HN HIS 23 41.730 13.954 -10.317 179 HA HIS 23 HA HIS 23 40.222 12.372 -9.497 180 HB2 HIS 23 HB2 HIS 23 40.186 10.284 -10.890 181 HB3 HIS 23 HB1 HIS 23 40.262 11.785 -11.843 182 HD1 HIS 23 HD1 HIS 23 42.351 12.233 -13.248 183 HD2 HIS 23 HD2 HIS 23 42.632 8.766 -10.886 184 HE1 HIS 23 HE1 HIS 23 44.460 10.988 -13.973 185 H LEU 24 HN LEU 24 42.502 12.558 -7.812 186 HA LEU 24 HA LEU 24 42.188 10.094 -6.355 187 HB2 LEU 24 HB2 LEU 24 43.657 9.123 -8.016 188 HB3 LEU 24 HB1 LEU 24 44.788 10.486 -7.890 189 HG LEU 24 HG LEU 24 45.422 9.845 -5.633 190 HD11 LEU 24 HD11 LEU 24 43.407 9.102 -4.609 191 HD12 LEU 24 HD12 LEU 24 44.398 7.630 -4.715 192 HD13 LEU 24 HD13 LEU 24 43.089 7.908 -5.890 193 HD21 LEU 24 HD21 LEU 24 46.520 8.638 -7.490 194 HD22 LEU 24 HD22 LEU 24 45.244 7.398 -7.447 195 HD23 LEU 24 HD23 LEU 24 46.352 7.584 -6.067 Start of MODEL 63 1 H1 GLY 1 HT1 GLY 1 58.653 9.216 -5.048 2 H2 GLY 1 HT2 GLY 1 59.863 8.456 -4.128 3 H3 GLY 1 HT3 GLY 1 58.370 8.849 -3.417 4 HA2 GLY 1 HA1 GLY 1 57.784 7.328 -5.620 5 HA3 GLY 1 HA2 GLY 1 59.145 6.538 -4.800 6 H LYS 2 HN LYS 2 58.540 5.026 -3.424 7 HA LYS 2 HA LYS 2 55.845 4.734 -2.503 8 HB2 LYS 2 HB2 LYS 2 58.449 3.589 -1.416 9 HB3 LYS 2 HB1 LYS 2 56.822 3.047 -0.940 10 HG2 LYS 2 HG2 LYS 2 56.342 2.570 -3.372 11 HG3 LYS 2 HG1 LYS 2 58.047 2.940 -3.728 12 HD2 LYS 2 HD2 LYS 2 58.793 1.137 -2.255 13 HD3 LYS 2 HD1 LYS 2 57.118 0.816 -1.748 14 HE2 LYS 2 HE2 LYS 2 56.506 0.152 -4.019 15 HE3 LYS 2 HE1 LYS 2 58.121 0.600 -4.619 16 HZ1 LYS 2 HZ1 LYS 2 58.681 -1.493 -4.181 17 HZ2 LYS 2 HZ2 LYS 2 57.266 -1.791 -3.289 18 HZ3 LYS 2 HZ3 LYS 2 58.619 -1.094 -2.534 19 H GLY 3 HN GLY 3 55.798 4.235 0.134 20 HA2 GLY 3 HA1 GLY 3 56.728 5.567 2.217 21 HA3 GLY 3 HA2 GLY 3 56.098 7.026 1.323 22 H ARG 4 HN ARG 4 54.510 6.827 0.164 23 HA ARG 4 HA ARG 4 53.507 7.811 2.138 24 HB2 ARG 4 HB2 ARG 4 51.913 7.359 -0.433 25 HB3 ARG 4 HB1 ARG 4 51.463 8.541 0.821 26 HG2 ARG 4 HG2 ARG 4 53.730 9.591 0.592 27 HG3 ARG 4 HG1 ARG 4 54.083 8.467 -0.742 28 HD2 ARG 4 HD2 ARG 4 52.118 9.349 -1.988 29 HD3 ARG 4 HD1 ARG 4 51.809 10.497 -0.665 30 HE ARG 4 HE ARG 4 54.503 10.854 -1.508 31 HH11 ARG 4 HH11 ARG 4 52.405 10.384 -3.912 32 HH12 ARG 4 HH12 ARG 4 52.276 12.027 -4.445 33 HH21 ARG 4 HH21 ARG 4 53.859 13.336 -1.651 34 HH22 ARG 4 HH22 ARG 4 53.098 13.699 -3.165 35 H TRP 5 HN TRP 5 53.228 4.746 1.337 36 HA TRP 5 HA TRP 5 50.731 3.622 1.736 37 HB2 TRP 5 HB2 TRP 5 52.817 2.321 1.448 38 HB3 TRP 5 HB1 TRP 5 53.285 2.709 3.120 39 HD1 TRP 5 HD1 TRP 5 52.428 1.148 4.943 40 HE1 TRP 5 HE1 TRP 5 50.710 -0.799 5.100 41 HE3 TRP 5 HE3 TRP 5 50.373 1.506 0.268 42 HZ2 TRP 5 HZ2 TRP 5 48.726 -2.012 3.403 43 HZ3 TRP 5 HZ3 TRP 5 48.570 -0.058 -0.442 44 HH2 TRP 5 HH2 TRP 5 47.745 -1.814 1.119 45 H LEU 6 HN LEU 6 52.474 5.565 4.006 46 HA LEU 6 HA LEU 6 50.439 4.941 6.145 47 HB2 LEU 6 HB2 LEU 6 53.250 6.013 6.577 48 HB3 LEU 6 HB1 LEU 6 52.103 5.435 7.805 49 HG LEU 6 HG LEU 6 53.313 3.705 5.597 50 HD11 LEU 6 HD11 LEU 6 54.988 4.459 7.272 51 HD12 LEU 6 HD12 LEU 6 54.659 2.715 7.415 52 HD13 LEU 6 HD13 LEU 6 53.942 3.855 8.579 53 HD21 LEU 6 HD21 LEU 6 52.418 1.871 7.209 54 HD22 LEU 6 HD22 LEU 6 51.219 2.737 6.226 55 HD23 LEU 6 HD23 LEU 6 51.439 3.164 7.940 56 H GLU 7 HN GLU 7 51.794 7.331 3.993 57 HA GLU 7 HA GLU 7 50.947 9.592 5.726 58 HB2 GLU 7 HB2 GLU 7 52.046 9.515 2.891 59 HB3 GLU 7 HB1 GLU 7 51.739 10.986 3.840 60 HG2 GLU 7 HG2 GLU 7 53.559 8.731 4.785 61 HG3 GLU 7 HG1 GLU 7 54.148 10.156 3.896 62 H ARG 8 HN ARG 8 49.461 7.413 3.633 63 HA ARG 8 HA ARG 8 47.665 9.206 2.242 64 HB2 ARG 8 HB2 ARG 8 48.125 6.850 1.549 65 HB3 ARG 8 HB1 ARG 8 47.253 6.284 2.994 66 HG2 ARG 8 HG2 ARG 8 45.192 7.319 2.241 67 HG3 ARG 8 HG1 ARG 8 46.032 8.121 0.892 68 HD2 ARG 8 HD2 ARG 8 45.760 5.106 1.262 69 HD3 ARG 8 HD1 ARG 8 44.820 6.097 0.122 70 HE ARG 8 HE ARG 8 47.695 6.412 -0.245 71 HH11 ARG 8 HH11 ARG 8 45.843 6.476 -2.530 72 HH12 ARG 8 HH12 ARG 8 46.078 4.928 -3.271 73 HH21 ARG 8 HH21 ARG 8 47.615 3.535 -0.492 74 HH22 ARG 8 HH22 ARG 8 47.082 3.265 -2.118 75 H ILE 9 HN ILE 9 46.887 10.687 3.776 76 HA ILE 9 HA ILE 9 45.671 9.960 6.248 77 HB ILE 9 HB ILE 9 44.520 12.184 6.099 78 HG12 ILE 9 HG12 ILE 9 45.768 12.166 3.310 79 HG13 ILE 9 HG11 ILE 9 44.033 12.206 3.696 80 HG21 ILE 9 HG21 ILE 9 46.973 11.851 6.790 81 HG22 ILE 9 HG22 ILE 9 46.534 13.484 6.240 82 HG23 ILE 9 HG23 ILE 9 47.408 12.382 5.148 83 HD11 ILE 9 HD1 ILE 9 44.563 14.470 3.230 84 HD12 ILE 9 HD2 ILE 9 46.111 14.382 4.100 85 HD13 ILE 9 HD3 ILE 9 44.579 14.392 5.007 86 H GLY 10 HN GLY 10 44.392 10.103 2.940 87 HA2 GLY 10 HA1 GLY 10 42.302 9.533 2.110 88 HA3 GLY 10 HA2 GLY 10 42.341 8.253 3.339 89 H LYS 11 HN LYS 11 42.545 11.474 4.521 90 HA LYS 11 HA LYS 11 40.060 11.198 5.981 91 HB2 LYS 11 HB2 LYS 11 41.998 13.495 5.531 92 HB3 LYS 11 HB1 LYS 11 40.531 13.682 6.520 93 HG2 LYS 11 HG2 LYS 11 42.408 11.355 7.085 94 HG3 LYS 11 HG1 LYS 11 42.848 12.979 7.655 95 HD2 LYS 11 HD2 LYS 11 40.659 13.155 8.830 96 HD3 LYS 11 HD1 LYS 11 40.250 11.509 8.296 97 HE2 LYS 11 HE2 LYS 11 42.606 12.302 10.058 98 HE3 LYS 11 HE1 LYS 11 41.145 11.429 10.576 99 HZ1 LYS 11 HZ1 LYS 11 41.740 9.681 8.945 100 HZ2 LYS 11 HZ2 LYS 11 42.887 9.859 10.186 101 HZ3 LYS 11 HZ3 LYS 11 43.199 10.488 8.639 102 H ALA 12 HN ALA 12 40.635 11.932 2.747 103 HA ALA 12 HA ALA 12 39.317 12.922 1.118 104 HB1 ALA 12 HB1 ALA 12 37.039 12.756 3.117 105 HB2 ALA 12 HB2 ALA 12 37.634 11.346 2.210 106 HB3 ALA 12 HB3 ALA 12 36.948 12.738 1.341 107 H GLY 13 HN GLY 13 40.876 14.662 2.397 108 HA2 GLY 13 HA1 GLY 13 39.903 16.759 3.886 109 HA3 GLY 13 HA2 GLY 13 41.083 16.972 2.578 110 H PHE 14 HN PHE 14 37.686 17.082 3.491 111 HA PHE 14 HA PHE 14 35.868 18.109 2.455 112 HB2 PHE 14 HB2 PHE 14 38.047 19.890 1.283 113 HB3 PHE 14 HB1 PHE 14 36.312 20.276 1.373 114 HD1 PHE 14 HD1 PHE 14 39.467 20.030 3.243 115 HD2 PHE 14 HD2 PHE 14 35.204 20.612 3.585 116 HE1 PHE 14 HE1 PHE 14 39.770 20.890 5.562 117 HE2 PHE 14 HE2 PHE 14 35.508 21.471 5.903 118 HZ PHE 14 HZ PHE 14 37.782 21.524 6.922 119 H ILE 15 HN ILE 15 36.848 15.815 1.203 120 HA ILE 15 HA ILE 15 36.651 14.645 -0.771 121 HB ILE 15 HB ILE 15 35.218 17.065 -1.934 122 HG12 ILE 15 HG12 ILE 15 34.120 16.720 0.164 123 HG13 ILE 15 HG11 ILE 15 33.102 15.910 -1.042 124 HG21 ILE 15 HG21 ILE 15 35.262 14.087 -2.544 125 HG22 ILE 15 HG22 ILE 15 35.559 15.457 -3.631 126 HG23 ILE 15 HG23 ILE 15 33.912 15.119 -3.064 127 HD11 ILE 15 HD1 ILE 15 35.032 14.639 0.941 128 HD12 ILE 15 HD2 ILE 15 34.361 13.744 -0.443 129 HD13 ILE 15 HD3 ILE 15 33.276 14.394 0.805 130 H ILE 16 HN ILE 16 39.008 14.950 -0.893 131 HA ILE 16 HA ILE 16 39.679 16.371 -3.443 132 HB ILE 16 HB ILE 16 40.291 17.956 -1.660 133 HG12 ILE 16 HG12 ILE 16 42.711 18.192 -2.154 134 HG13 ILE 16 HG11 ILE 16 42.752 16.542 -2.809 135 HG21 ILE 16 HG21 ILE 16 42.280 15.964 -0.526 136 HG22 ILE 16 HG22 ILE 16 40.597 15.977 0.056 137 HG23 ILE 16 HG23 ILE 16 41.608 17.432 0.216 138 HD11 ILE 16 HD1 ILE 16 40.769 18.550 -3.930 139 HD12 ILE 16 HD2 ILE 16 41.497 17.128 -4.718 140 HD13 ILE 16 HD3 ILE 16 42.467 18.594 -4.457 141 H ILE 17 HN ILE 17 41.195 14.441 -0.786 142 HA ILE 17 HA ILE 17 42.869 13.039 -2.732 143 HB ILE 17 HB ILE 17 43.714 13.325 -0.453 144 HG12 ILE 17 HG12 ILE 17 44.319 11.024 0.106 145 HG13 ILE 17 HG11 ILE 17 42.959 10.387 -0.840 146 HG21 ILE 17 HG21 ILE 17 41.582 13.462 0.732 147 HG22 ILE 17 HG22 ILE 17 42.587 12.187 1.461 148 HG23 ILE 17 HG23 ILE 17 41.242 11.751 0.381 149 HD11 ILE 17 HD1 ILE 17 45.344 10.411 -1.930 150 HD12 ILE 17 HD2 ILE 17 45.058 12.153 -2.151 151 HD13 ILE 17 HD3 ILE 17 43.967 10.966 -2.907 152 H GLY 18 HN GLY 18 39.775 12.595 -1.138 153 HA2 GLY 18 HA1 GLY 18 39.492 9.803 -2.042 154 HA3 GLY 18 HA2 GLY 18 38.286 10.784 -1.182 155 H GLY 19 HN GLY 19 38.010 12.997 -2.752 156 HA2 GLY 19 HA1 GLY 19 36.281 12.041 -4.813 157 HA3 GLY 19 HA2 GLY 19 36.838 13.714 -4.609 158 H ALA 20 HN ALA 20 39.590 13.422 -4.925 159 HA ALA 20 HA ALA 20 39.802 13.423 -7.778 160 HB1 ALA 20 HB1 ALA 20 41.981 13.051 -5.695 161 HB2 ALA 20 HB2 ALA 20 41.360 14.613 -6.281 162 HB3 ALA 20 HB3 ALA 20 42.224 13.522 -7.392 163 H LEU 21 HN LEU 21 41.361 11.127 -5.489 164 HA LEU 21 HA LEU 21 41.836 8.885 -5.724 165 HB2 LEU 21 HB2 LEU 21 39.253 9.010 -6.325 166 HB3 LEU 21 HB1 LEU 21 39.807 8.629 -7.961 167 HG LEU 21 HG LEU 21 39.262 6.541 -6.917 168 HD11 LEU 21 HD11 LEU 21 42.291 6.781 -6.675 169 HD12 LEU 21 HD12 LEU 21 41.421 6.662 -8.221 170 HD13 LEU 21 HD13 LEU 21 41.338 5.327 -7.049 171 HD21 LEU 21 HD21 LEU 21 39.548 7.604 -4.503 172 HD22 LEU 21 HD22 LEU 21 41.203 6.966 -4.614 173 HD23 LEU 21 HD23 LEU 21 39.817 5.864 -4.735 174 H ASP 22 HN ASP 22 43.904 9.613 -6.558 175 HA ASP 22 HA ASP 22 44.445 8.425 -9.191 176 HB2 ASP 22 HB2 ASP 22 44.715 11.422 -8.735 177 HB3 ASP 22 HB1 ASP 22 45.558 10.550 -10.037 178 H HIS 23 HN HIS 23 45.197 7.984 -6.409 179 HA HIS 23 HA HIS 23 47.108 7.572 -5.162 180 HB2 HIS 23 HB2 HIS 23 47.659 6.330 -7.288 181 HB3 HIS 23 HB1 HIS 23 48.561 7.766 -7.829 182 HD1 HIS 23 HD1 HIS 23 50.975 7.802 -7.206 183 HD2 HIS 23 HD2 HIS 23 48.719 5.353 -4.638 184 HE1 HIS 23 HE1 HIS 23 52.598 6.750 -5.537 185 H LEU 24 HN LEU 24 46.289 10.416 -5.889 186 HA LEU 24 HA LEU 24 48.462 11.714 -4.515 187 HB2 LEU 24 HB2 LEU 24 49.676 11.566 -6.597 188 HB3 LEU 24 HB1 LEU 24 48.266 12.118 -7.527 189 HG LEU 24 HG LEU 24 48.424 14.349 -6.588 190 HD11 LEU 24 HD11 LEU 24 48.996 13.998 -4.300 191 HD12 LEU 24 HD12 LEU 24 50.411 14.828 -4.985 192 HD13 LEU 24 HD13 LEU 24 50.454 13.067 -4.718 193 HD21 LEU 24 HD21 LEU 24 50.649 15.021 -7.387 194 HD22 LEU 24 HD22 LEU 24 49.981 13.760 -8.451 195 HD23 LEU 24 HD23 LEU 24 51.228 13.343 -7.251 Start of MODEL 64 1 H1 GLY 1 HT1 GLY 1 63.103 4.166 9.827 2 H2 GLY 1 HT2 GLY 1 62.808 3.466 8.307 3 H3 GLY 1 HT3 GLY 1 63.124 2.480 9.654 4 HA2 GLY 1 HA1 GLY 1 61.063 2.497 10.328 5 HA3 GLY 1 HA2 GLY 1 60.954 4.253 10.092 6 H LYS 2 HN LYS 2 58.900 2.353 9.512 7 HA LYS 2 HA LYS 2 58.256 3.222 6.831 8 HB2 LYS 2 HB2 LYS 2 59.958 1.237 6.549 9 HB3 LYS 2 HB1 LYS 2 58.592 0.209 7.039 10 HG2 LYS 2 HG2 LYS 2 57.244 1.465 5.190 11 HG3 LYS 2 HG1 LYS 2 58.828 2.021 4.605 12 HD2 LYS 2 HD2 LYS 2 59.584 -0.345 4.436 13 HD3 LYS 2 HD1 LYS 2 57.977 -0.886 4.975 14 HE2 LYS 2 HE2 LYS 2 56.948 0.255 3.019 15 HE3 LYS 2 HE1 LYS 2 58.567 0.755 2.472 16 HZ1 LYS 2 HZ1 LYS 2 58.994 -1.275 1.682 17 HZ2 LYS 2 HZ2 LYS 2 57.322 -1.556 1.794 18 HZ3 LYS 2 HZ3 LYS 2 58.356 -2.062 3.043 19 H GLY 3 HN GLY 3 56.760 0.447 6.623 20 HA2 GLY 3 HA1 GLY 3 54.339 0.163 6.888 21 HA3 GLY 3 HA2 GLY 3 54.936 -0.086 8.612 22 H ARG 4 HN ARG 4 54.463 1.620 6.029 23 HA ARG 4 HA ARG 4 52.288 1.988 6.287 24 HB2 ARG 4 HB2 ARG 4 53.278 4.218 8.019 25 HB3 ARG 4 HB1 ARG 4 51.987 4.706 6.900 26 HG2 ARG 4 HG2 ARG 4 51.154 2.217 8.200 27 HG3 ARG 4 HG1 ARG 4 51.688 3.353 9.453 28 HD2 ARG 4 HD2 ARG 4 50.149 5.058 8.651 29 HD3 ARG 4 HD1 ARG 4 49.687 4.046 7.264 30 HE ARG 4 HE ARG 4 49.125 2.452 9.466 31 HH11 ARG 4 HH11 ARG 4 48.073 3.743 11.408 32 HH12 ARG 4 HH12 ARG 4 46.653 4.597 10.904 33 HH21 ARG 4 HH21 ARG 4 47.397 4.375 7.524 34 HH22 ARG 4 HH22 ARG 4 46.271 4.955 8.705 35 H TRP 5 HN TRP 5 55.164 3.007 5.271 36 HA TRP 5 HA TRP 5 54.967 5.201 3.592 37 HB2 TRP 5 HB2 TRP 5 57.006 3.825 3.806 38 HB3 TRP 5 HB1 TRP 5 56.224 2.522 2.879 39 HD1 TRP 5 HD1 TRP 5 56.530 6.354 2.257 40 HE1 TRP 5 HE1 TRP 5 57.346 6.741 -0.179 41 HE3 TRP 5 HE3 TRP 5 57.048 1.475 0.796 42 HZ2 TRP 5 HZ2 TRP 5 58.115 5.126 -2.435 43 HZ3 TRP 5 HZ3 TRP 5 57.825 0.922 -1.504 44 HH2 TRP 5 HH2 TRP 5 58.359 2.741 -3.119 45 H LEU 6 HN LEU 6 53.173 2.277 3.436 46 HA LEU 6 HA LEU 6 52.138 2.935 0.686 47 HB2 LEU 6 HB2 LEU 6 52.576 0.381 2.221 48 HB3 LEU 6 HB1 LEU 6 51.150 0.444 1.164 49 HG LEU 6 HG LEU 6 52.599 1.086 -0.747 50 HD11 LEU 6 HD11 LEU 6 54.780 0.862 1.366 51 HD12 LEU 6 HD12 LEU 6 54.412 2.245 0.307 52 HD13 LEU 6 HD13 LEU 6 55.121 0.766 -0.380 53 HD21 LEU 6 HD21 LEU 6 52.120 -1.296 -0.334 54 HD22 LEU 6 HD22 LEU 6 53.508 -1.398 0.777 55 HD23 LEU 6 HD23 LEU 6 53.775 -1.105 -0.959 56 H GLU 7 HN GLU 7 51.391 2.840 4.124 57 HA GLU 7 HA GLU 7 48.450 3.123 3.465 58 HB2 GLU 7 HB2 GLU 7 49.931 2.119 5.925 59 HB3 GLU 7 HB1 GLU 7 48.214 2.591 5.972 60 HG2 GLU 7 HG2 GLU 7 48.415 0.168 5.585 61 HG3 GLU 7 HG1 GLU 7 47.744 0.961 4.139 62 H ARG 8 HN ARG 8 50.962 5.053 3.668 63 HA ARG 8 HA ARG 8 50.598 6.815 5.831 64 HB2 ARG 8 HB2 ARG 8 52.415 6.941 4.102 65 HB3 ARG 8 HB1 ARG 8 51.227 7.619 2.964 66 HG2 ARG 8 HG2 ARG 8 50.813 9.512 4.472 67 HG3 ARG 8 HG1 ARG 8 51.920 8.820 5.681 68 HD2 ARG 8 HD2 ARG 8 53.080 10.560 4.386 69 HD3 ARG 8 HD1 ARG 8 53.781 8.964 4.023 70 HE ARG 8 HE ARG 8 51.661 9.672 2.157 71 HH11 ARG 8 HH11 ARG 8 54.903 8.934 2.527 72 HH12 ARG 8 HH12 ARG 8 55.449 9.811 1.138 73 HH21 ARG 8 HH21 ARG 8 52.384 11.324 0.557 74 HH22 ARG 8 HH22 ARG 8 54.023 11.164 0.023 75 H ILE 9 HN ILE 9 48.957 8.027 6.508 76 HA ILE 9 HA ILE 9 46.466 8.125 5.186 77 HB ILE 9 HB ILE 9 46.542 8.633 7.534 78 HG12 ILE 9 HG12 ILE 9 45.250 10.678 7.684 79 HG13 ILE 9 HG11 ILE 9 45.923 11.290 6.160 80 HG21 ILE 9 HG21 ILE 9 48.118 11.179 7.005 81 HG22 ILE 9 HG22 ILE 9 48.915 9.638 7.390 82 HG23 ILE 9 HG23 ILE 9 47.793 10.373 8.554 83 HD11 ILE 9 HD1 ILE 9 43.557 10.230 6.084 84 HD12 ILE 9 HD2 ILE 9 44.389 8.667 6.270 85 HD13 ILE 9 HD3 ILE 9 44.731 9.698 4.857 86 H GLY 10 HN GLY 10 46.609 8.636 3.035 87 HA2 GLY 10 HA1 GLY 10 47.817 11.235 2.248 88 HA3 GLY 10 HA2 GLY 10 47.192 9.973 1.169 89 H LYS 11 HN LYS 11 44.663 9.701 2.673 90 HA LYS 11 HA LYS 11 43.130 11.592 1.183 91 HB2 LYS 11 HB2 LYS 11 42.207 10.255 3.750 92 HB3 LYS 11 HB1 LYS 11 41.220 10.780 2.365 93 HG2 LYS 11 HG2 LYS 11 43.303 8.543 2.347 94 HG3 LYS 11 HG1 LYS 11 41.535 8.334 2.321 95 HD2 LYS 11 HD2 LYS 11 41.584 9.803 0.172 96 HD3 LYS 11 HD1 LYS 11 43.337 9.487 0.158 97 HE2 LYS 11 HE2 LYS 11 42.328 7.794 -1.222 98 HE3 LYS 11 HE1 LYS 11 42.774 7.001 0.307 99 HZ1 LYS 11 HZ1 LYS 11 40.353 7.750 0.949 100 HZ2 LYS 11 HZ2 LYS 11 40.629 6.307 0.095 101 HZ3 LYS 11 HZ3 LYS 11 40.119 7.701 -0.730 102 H ALA 12 HN ALA 12 43.437 13.722 1.420 103 HA ALA 12 HA ALA 12 44.129 14.949 3.927 104 HB1 ALA 12 HB1 ALA 12 42.880 16.098 1.408 105 HB2 ALA 12 HB2 ALA 12 44.616 16.014 1.795 106 HB3 ALA 12 HB3 ALA 12 43.538 17.063 2.750 107 H GLY 13 HN GLY 13 41.344 13.428 2.969 108 HA2 GLY 13 HA1 GLY 13 39.131 13.522 3.650 109 HA3 GLY 13 HA2 GLY 13 39.835 13.938 5.225 110 H PHE 14 HN PHE 14 40.063 15.919 2.302 111 HA PHE 14 HA PHE 14 37.819 17.619 2.965 112 HB2 PHE 14 HB2 PHE 14 39.488 18.143 4.837 113 HB3 PHE 14 HB1 PHE 14 40.535 18.843 3.579 114 HD1 PHE 14 HD1 PHE 14 36.931 18.941 4.718 115 HD2 PHE 14 HD2 PHE 14 40.276 21.148 3.109 116 HE1 PHE 14 HE1 PHE 14 35.593 21.040 4.807 117 HE2 PHE 14 HE2 PHE 14 38.936 23.244 3.201 118 HZ PHE 14 HZ PHE 14 36.572 23.177 3.985 119 H ILE 15 HN ILE 15 40.633 16.758 1.173 120 HA ILE 15 HA ILE 15 39.604 18.226 -1.161 121 HB ILE 15 HB ILE 15 41.890 19.268 -1.630 122 HG12 ILE 15 HG12 ILE 15 42.255 18.601 1.330 123 HG13 ILE 15 HG11 ILE 15 43.212 17.956 -0.023 124 HG21 ILE 15 HG21 ILE 15 40.585 20.355 0.897 125 HG22 ILE 15 HG22 ILE 15 39.832 20.501 -0.707 126 HG23 ILE 15 HG23 ILE 15 41.404 21.265 -0.391 127 HD11 ILE 15 HD1 ILE 15 43.169 20.777 1.092 128 HD12 ILE 15 HD2 ILE 15 43.744 20.457 -0.564 129 HD13 ILE 15 HD3 ILE 15 44.563 19.705 0.826 130 H ILE 16 HN ILE 16 39.488 15.638 -0.976 131 HA ILE 16 HA ILE 16 41.601 14.727 -2.872 132 HB ILE 16 HB ILE 16 42.286 14.053 -0.525 133 HG12 ILE 16 HG12 ILE 16 42.586 11.601 -1.114 134 HG13 ILE 16 HG11 ILE 16 41.520 11.852 -2.510 135 HG21 ILE 16 HG21 ILE 16 40.993 12.478 0.720 136 HG22 ILE 16 HG22 ILE 16 39.902 12.170 -0.650 137 HG23 ILE 16 HG23 ILE 16 39.843 13.732 0.203 138 HD11 ILE 16 HD1 ILE 16 43.908 13.691 -2.176 139 HD12 ILE 16 HD2 ILE 16 43.109 13.136 -3.666 140 HD13 ILE 16 HD3 ILE 16 44.179 12.037 -2.770 141 H ILE 17 HN ILE 17 38.555 14.050 -1.135 142 HA ILE 17 HA ILE 17 37.693 12.048 -3.066 143 HB ILE 17 HB ILE 17 35.345 12.629 -1.950 144 HG12 ILE 17 HG12 ILE 17 35.514 13.693 0.235 145 HG13 ILE 17 HG11 ILE 17 37.274 13.863 0.071 146 HG21 ILE 17 HG21 ILE 17 36.662 10.585 -1.497 147 HG22 ILE 17 HG22 ILE 17 35.929 11.220 -0.005 148 HG23 ILE 17 HG23 ILE 17 37.659 11.482 -0.328 149 HD11 ILE 17 HD1 ILE 17 35.864 15.959 -0.423 150 HD12 ILE 17 HD2 ILE 17 35.330 15.126 -1.901 151 HD13 ILE 17 HD3 ILE 17 37.055 15.502 -1.661 152 H GLY 18 HN GLY 18 38.306 15.196 -3.531 153 HA2 GLY 18 HA1 GLY 18 36.789 15.335 -5.959 154 HA3 GLY 18 HA2 GLY 18 35.985 16.300 -4.705 155 H GLY 19 HN GLY 19 38.741 16.762 -3.456 156 HA2 GLY 19 HA1 GLY 19 39.204 19.302 -4.712 157 HA3 GLY 19 HA2 GLY 19 40.244 18.520 -3.504 158 H ALA 20 HN ALA 20 40.621 16.096 -5.121 159 HA ALA 20 HA ALA 20 42.912 17.049 -6.649 160 HB1 ALA 20 HB1 ALA 20 41.648 14.289 -6.555 161 HB2 ALA 20 HB2 ALA 20 42.872 14.894 -5.412 162 HB3 ALA 20 HB3 ALA 20 43.282 14.690 -7.133 163 H LEU 21 HN LEU 21 39.986 15.171 -7.580 164 HA LEU 21 HA LEU 21 38.904 15.015 -9.622 165 HB2 LEU 21 HB2 LEU 21 38.636 17.520 -8.978 166 HB3 LEU 21 HB1 LEU 21 39.883 17.829 -10.206 167 HG LEU 21 HG LEU 21 38.291 16.295 -11.742 168 HD11 LEU 21 HD11 LEU 21 36.314 17.524 -9.766 169 HD12 LEU 21 HD12 LEU 21 36.715 15.792 -9.841 170 HD13 LEU 21 HD13 LEU 21 35.918 16.582 -11.221 171 HD21 LEU 21 HD21 LEU 21 37.663 19.192 -11.011 172 HD22 LEU 21 HD22 LEU 21 37.114 18.363 -12.486 173 HD23 LEU 21 HD23 LEU 21 38.849 18.647 -12.220 174 H ASP 22 HN ASP 22 41.589 14.048 -9.509 175 HA ASP 22 HA ASP 22 42.996 14.929 -11.918 176 HB2 ASP 22 HB2 ASP 22 44.153 13.980 -9.920 177 HB3 ASP 22 HB1 ASP 22 43.381 12.410 -10.252 178 H HIS 23 HN HIS 23 40.721 12.368 -11.034 179 HA HIS 23 HA HIS 23 40.106 11.898 -13.846 180 HB2 HIS 23 HB2 HIS 23 42.237 10.569 -13.511 181 HB3 HIS 23 HB1 HIS 23 41.360 9.588 -12.314 182 HD1 HIS 23 HD1 HIS 23 41.340 10.512 -16.017 183 HD2 HIS 23 HD2 HIS 23 39.693 7.639 -13.428 184 HE1 HIS 23 HE1 HIS 23 40.152 8.776 -17.465 185 H LEU 24 HN LEU 24 39.265 12.183 -10.739 186 HA LEU 24 HA LEU 24 37.430 9.967 -10.392 187 HB2 LEU 24 HB2 LEU 24 38.225 11.132 -8.439 188 HB3 LEU 24 HB1 LEU 24 37.681 12.699 -9.077 189 HG LEU 24 HG LEU 24 35.351 12.089 -8.817 190 HD11 LEU 24 HD11 LEU 24 36.471 9.311 -8.271 191 HD12 LEU 24 HD12 LEU 24 35.262 9.799 -9.485 192 HD13 LEU 24 HD13 LEU 24 34.831 9.778 -7.760 193 HD21 LEU 24 HD21 LEU 24 36.949 11.157 -6.389 194 HD22 LEU 24 HD22 LEU 24 35.248 11.680 -6.376 195 HD23 LEU 24 HD23 LEU 24 36.534 12.844 -6.774 Start of MODEL 65 1 H1 GLY 1 HT1 GLY 1 57.242 0.444 -3.000 2 H2 GLY 1 HT2 GLY 1 58.164 -0.980 -3.088 3 H3 GLY 1 HT3 GLY 1 58.311 0.053 -1.746 4 HA2 GLY 1 HA1 GLY 1 55.715 -1.092 -2.421 5 HA3 GLY 1 HA2 GLY 1 56.929 -2.083 -1.589 6 H LYS 2 HN LYS 2 58.017 -0.945 0.328 7 HA LYS 2 HA LYS 2 55.878 -0.187 2.152 8 HB2 LYS 2 HB2 LYS 2 57.813 0.139 3.763 9 HB3 LYS 2 HB1 LYS 2 57.700 -1.479 3.029 10 HG2 LYS 2 HG2 LYS 2 59.474 -1.015 1.483 11 HG3 LYS 2 HG1 LYS 2 59.432 0.725 1.842 12 HD2 LYS 2 HD2 LYS 2 61.351 -0.411 2.958 13 HD3 LYS 2 HD1 LYS 2 60.224 0.310 4.130 14 HE2 LYS 2 HE2 LYS 2 61.055 -2.107 4.592 15 HE3 LYS 2 HE1 LYS 2 59.309 -1.799 4.726 16 HZ1 LYS 2 HZ1 LYS 2 60.349 -3.765 3.266 17 HZ2 LYS 2 HZ2 LYS 2 60.289 -2.546 2.085 18 HZ3 LYS 2 HZ3 LYS 2 58.872 -3.018 2.897 19 H GLY 3 HN GLY 3 56.853 1.725 3.785 20 HA2 GLY 3 HA1 GLY 3 57.787 4.066 3.637 21 HA3 GLY 3 HA2 GLY 3 57.034 4.214 1.983 22 H ARG 4 HN ARG 4 55.284 3.389 1.634 23 HA ARG 4 HA ARG 4 54.622 5.691 1.995 24 HB2 ARG 4 HB2 ARG 4 52.643 3.554 1.069 25 HB3 ARG 4 HB1 ARG 4 52.383 5.302 0.847 26 HG2 ARG 4 HG2 ARG 4 54.619 5.412 -0.337 27 HG3 ARG 4 HG1 ARG 4 54.693 3.635 -0.247 28 HD2 ARG 4 HD2 ARG 4 53.788 4.373 -2.431 29 HD3 ARG 4 HD1 ARG 4 52.558 3.485 -1.500 30 HE ARG 4 HE ARG 4 52.122 6.144 -0.822 31 HH11 ARG 4 HH11 ARG 4 52.783 7.446 -3.141 32 HH12 ARG 4 HH12 ARG 4 51.537 7.102 -4.295 33 HH21 ARG 4 HH21 ARG 4 50.328 4.352 -2.566 34 HH22 ARG 4 HH22 ARG 4 50.146 5.352 -3.968 35 H TRP 5 HN TRP 5 54.171 3.349 4.106 36 HA TRP 5 HA TRP 5 51.734 3.457 5.442 37 HB2 TRP 5 HB2 TRP 5 53.836 2.161 6.099 38 HB3 TRP 5 HB1 TRP 5 54.387 3.639 6.920 39 HD1 TRP 5 HD1 TRP 5 52.914 4.507 8.997 40 HE1 TRP 5 HE1 TRP 5 51.342 3.260 10.651 41 HE3 TRP 5 HE3 TRP 5 52.173 0.209 6.318 42 HZ2 TRP 5 HZ2 TRP 5 49.965 0.732 10.765 43 HZ3 TRP 5 HZ3 TRP 5 50.728 -1.607 7.217 44 HH2 TRP 5 HH2 TRP 5 49.624 -1.351 9.436 45 H LEU 6 HN LEU 6 53.923 6.066 4.949 46 HA LEU 6 HA LEU 6 52.377 7.787 6.883 47 HB2 LEU 6 HB2 LEU 6 55.250 8.159 5.952 48 HB3 LEU 6 HB1 LEU 6 54.383 9.137 7.156 49 HG LEU 6 HG LEU 6 54.858 6.137 7.474 50 HD11 LEU 6 HD11 LEU 6 57.026 7.311 7.342 51 HD12 LEU 6 HD12 LEU 6 56.706 6.767 9.006 52 HD13 LEU 6 HD13 LEU 6 56.479 8.478 8.569 53 HD21 LEU 6 HD21 LEU 6 54.518 6.828 9.939 54 HD22 LEU 6 HD22 LEU 6 53.075 6.871 8.908 55 HD23 LEU 6 HD23 LEU 6 53.919 8.382 9.316 56 H GLU 7 HN GLU 7 53.253 7.168 3.566 57 HA GLU 7 HA GLU 7 52.934 9.991 2.752 58 HB2 GLU 7 HB2 GLU 7 54.384 8.125 1.622 59 HB3 GLU 7 HB1 GLU 7 52.857 7.600 0.882 60 HG2 GLU 7 HG2 GLU 7 52.523 9.872 -0.055 61 HG3 GLU 7 HG1 GLU 7 54.047 10.405 0.693 62 H ARG 8 HN ARG 8 50.838 7.713 3.872 63 HA ARG 8 HA ARG 8 48.706 7.556 2.062 64 HB2 ARG 8 HB2 ARG 8 48.592 7.941 5.080 65 HB3 ARG 8 HB1 ARG 8 47.243 7.374 4.066 66 HG2 ARG 8 HG2 ARG 8 48.756 5.498 3.262 67 HG3 ARG 8 HG1 ARG 8 49.929 6.005 4.501 68 HD2 ARG 8 HD2 ARG 8 48.082 5.750 6.226 69 HD3 ARG 8 HD1 ARG 8 47.083 5.017 4.947 70 HE ARG 8 HE ARG 8 49.484 3.577 4.912 71 HH11 ARG 8 HH11 ARG 8 49.686 1.643 6.065 72 HH12 ARG 8 HH12 ARG 8 48.711 1.384 7.473 73 HH21 ARG 8 HH21 ARG 8 47.072 4.428 7.223 74 HH22 ARG 8 HH22 ARG 8 47.232 2.961 8.128 75 H ILE 9 HN ILE 9 46.604 8.703 2.094 76 HA ILE 9 HA ILE 9 46.916 11.428 1.435 77 HB ILE 9 HB ILE 9 44.387 11.577 1.770 78 HG12 ILE 9 HG12 ILE 9 44.843 8.685 2.657 79 HG13 ILE 9 HG11 ILE 9 44.132 9.998 3.621 80 HG21 ILE 9 HG21 ILE 9 45.251 9.096 0.226 81 HG22 ILE 9 HG22 ILE 9 45.590 10.747 -0.344 82 HG23 ILE 9 HG23 ILE 9 43.911 10.204 -0.146 83 HD11 ILE 9 HD1 ILE 9 42.946 8.550 1.232 84 HD12 ILE 9 HD2 ILE 9 42.345 10.151 1.732 85 HD13 ILE 9 HD3 ILE 9 42.254 8.773 2.854 86 H GLY 10 HN GLY 10 45.941 9.935 4.532 87 HA2 GLY 10 HA1 GLY 10 46.172 10.803 6.674 88 HA3 GLY 10 HA2 GLY 10 46.982 12.224 5.992 89 H LYS 11 HN LYS 11 45.075 13.307 4.332 90 HA LYS 11 HA LYS 11 43.310 14.524 6.307 91 HB2 LYS 11 HB2 LYS 11 43.549 14.809 3.293 92 HB3 LYS 11 HB1 LYS 11 42.445 15.775 4.301 93 HG2 LYS 11 HG2 LYS 11 44.276 16.749 5.524 94 HG3 LYS 11 HG1 LYS 11 45.439 15.596 4.828 95 HD2 LYS 11 HD2 LYS 11 45.667 17.749 3.688 96 HD3 LYS 11 HD1 LYS 11 44.984 16.556 2.559 97 HE2 LYS 11 HE2 LYS 11 43.143 18.337 4.192 98 HE3 LYS 11 HE1 LYS 11 43.887 18.939 2.693 99 HZ1 LYS 11 HZ1 LYS 11 41.601 17.585 2.752 100 HZ2 LYS 11 HZ2 LYS 11 42.683 16.291 2.552 101 HZ3 LYS 11 HZ3 LYS 11 42.660 17.563 1.427 102 H ALA 12 HN ALA 12 42.382 13.246 3.081 103 HA ALA 12 HA ALA 12 40.581 11.952 2.453 104 HB1 ALA 12 HB1 ALA 12 40.174 11.068 5.322 105 HB2 ALA 12 HB2 ALA 12 41.542 10.465 4.359 106 HB3 ALA 12 HB3 ALA 12 39.874 10.171 3.815 107 H GLY 13 HN GLY 13 40.373 14.716 3.377 108 HA2 GLY 13 HA1 GLY 13 38.310 15.495 4.973 109 HA3 GLY 13 HA2 GLY 13 38.550 16.184 3.351 110 H PHE 14 HN PHE 14 38.000 13.933 1.848 111 HA PHE 14 HA PHE 14 35.558 12.602 2.402 112 HB2 PHE 14 HB2 PHE 14 34.487 14.829 2.343 113 HB3 PHE 14 HB1 PHE 14 35.238 15.163 0.764 114 HD1 PHE 14 HD1 PHE 14 33.112 12.562 2.485 115 HD2 PHE 14 HD2 PHE 14 33.997 14.654 -1.189 116 HE1 PHE 14 HE1 PHE 14 31.208 11.408 1.368 117 HE2 PHE 14 HE2 PHE 14 32.093 13.497 -2.304 118 HZ PHE 14 HZ PHE 14 30.760 11.805 -1.051 119 H ILE 15 HN ILE 15 37.854 11.709 1.465 120 HA ILE 15 HA ILE 15 39.048 10.922 -0.367 121 HB ILE 15 HB ILE 15 37.668 9.493 -1.927 122 HG12 ILE 15 HG12 ILE 15 35.321 10.420 -0.201 123 HG13 ILE 15 HG11 ILE 15 35.615 10.984 -1.860 124 HG21 ILE 15 HG21 ILE 15 36.890 9.116 0.993 125 HG22 ILE 15 HG22 ILE 15 38.517 8.763 0.366 126 HG23 ILE 15 HG23 ILE 15 37.115 7.861 -0.246 127 HD11 ILE 15 HD1 ILE 15 34.884 8.198 -0.909 128 HD12 ILE 15 HD2 ILE 15 35.644 8.456 -2.497 129 HD13 ILE 15 HD3 ILE 15 34.075 9.207 -2.128 130 H ILE 16 HN ILE 16 39.050 13.482 -0.644 131 HA ILE 16 HA ILE 16 38.212 14.020 -3.490 132 HB ILE 16 HB ILE 16 37.204 15.411 -1.581 133 HG12 ILE 16 HG12 ILE 16 37.607 17.599 -2.836 134 HG13 ILE 16 HG11 ILE 16 38.796 16.733 -3.832 135 HG21 ILE 16 HG21 ILE 16 38.530 17.093 -0.525 136 HG22 ILE 16 HG22 ILE 16 39.922 16.762 -1.580 137 HG23 ILE 16 HG23 ILE 16 39.432 15.571 -0.351 138 HD11 ILE 16 HD1 ILE 16 37.158 15.492 -4.955 139 HD12 ILE 16 HD2 ILE 16 36.232 16.968 -4.612 140 HD13 ILE 16 HD3 ILE 16 36.024 15.535 -3.583 141 H ILE 17 HN ILE 17 40.801 14.651 -1.059 142 HA ILE 17 HA ILE 17 42.624 15.574 -3.183 143 HB ILE 17 HB ILE 17 44.360 15.251 -1.177 144 HG12 ILE 17 HG12 ILE 17 43.326 15.348 1.025 145 HG13 ILE 17 HG11 ILE 17 41.700 15.327 0.316 146 HG21 ILE 17 HG21 ILE 17 42.129 17.322 -0.999 147 HG22 ILE 17 HG22 ILE 17 43.548 17.437 -2.066 148 HG23 ILE 17 HG23 ILE 17 43.758 17.457 -0.299 149 HD11 ILE 17 HD1 ILE 17 41.945 13.065 -0.430 150 HD12 ILE 17 HD2 ILE 17 42.599 13.085 1.224 151 HD13 ILE 17 HD3 ILE 17 43.706 13.090 -0.168 152 H GLY 18 HN GLY 18 41.340 12.682 -2.663 153 HA2 GLY 18 HA1 GLY 18 43.773 11.260 -3.672 154 HA3 GLY 18 HA2 GLY 18 42.909 10.606 -2.264 155 H GLY 19 HN GLY 19 40.292 10.916 -2.829 156 HA2 GLY 19 HA1 GLY 19 39.739 8.766 -4.570 157 HA3 GLY 19 HA2 GLY 19 38.564 9.997 -4.064 158 H ALA 20 HN ALA 20 39.652 12.286 -5.192 159 HA ALA 20 HA ALA 20 38.869 11.874 -7.997 160 HB1 ALA 20 HB1 ALA 20 39.835 14.350 -6.524 161 HB2 ALA 20 HB2 ALA 20 38.137 13.859 -6.743 162 HB3 ALA 20 HB3 ALA 20 39.122 14.317 -8.154 163 H LEU 21 HN LEU 21 41.580 11.022 -6.547 164 HA LEU 21 HA LEU 21 43.794 10.830 -7.184 165 HB2 LEU 21 HB2 LEU 21 42.876 9.650 -9.086 166 HB3 LEU 21 HB1 LEU 21 42.463 11.173 -9.901 167 HG LEU 21 HG LEU 21 44.808 11.716 -10.233 168 HD11 LEU 21 HD11 LEU 21 46.545 9.927 -9.487 169 HD12 LEU 21 HD12 LEU 21 45.274 9.344 -8.386 170 HD13 LEU 21 HD13 LEU 21 45.890 11.006 -8.235 171 HD21 LEU 21 HD21 LEU 21 44.444 8.748 -10.821 172 HD22 LEU 21 HD22 LEU 21 45.455 9.909 -11.715 173 HD23 LEU 21 HD23 LEU 21 43.681 10.046 -11.769 174 H ASP 22 HN ASP 22 44.896 12.511 -6.326 175 HA ASP 22 HA ASP 22 45.980 14.553 -6.221 176 HB2 ASP 22 HB2 ASP 22 45.732 14.459 -9.255 177 HB3 ASP 22 HB1 ASP 22 46.854 15.476 -8.321 178 H HIS 23 HN HIS 23 44.117 15.298 -9.176 179 HA HIS 23 HA HIS 23 42.143 16.885 -7.711 180 HB2 HIS 23 HB2 HIS 23 44.175 18.366 -7.648 181 HB3 HIS 23 HB1 HIS 23 44.172 18.371 -9.428 182 HD1 HIS 23 HD1 HIS 23 42.899 20.241 -10.465 183 HD2 HIS 23 HD2 HIS 23 41.442 19.280 -6.637 184 HE1 HIS 23 HE1 HIS 23 41.016 21.884 -9.932 185 H LEU 24 HN LEU 24 42.357 14.722 -9.729 186 HA LEU 24 HA LEU 24 41.594 15.867 -12.293 187 HB2 LEU 24 HB2 LEU 24 42.595 13.500 -11.681 188 HB3 LEU 24 HB1 LEU 24 40.897 13.042 -11.427 189 HG LEU 24 HG LEU 24 42.082 14.229 -13.982 190 HD11 LEU 24 HD11 LEU 24 41.728 12.023 -14.932 191 HD12 LEU 24 HD12 LEU 24 40.916 11.462 -13.450 192 HD13 LEU 24 HD13 LEU 24 42.658 11.825 -13.427 193 HD21 LEU 24 HD21 LEU 24 39.833 14.998 -13.916 194 HD22 LEU 24 HD22 LEU 24 39.245 13.506 -13.140 195 HD23 LEU 24 HD23 LEU 24 39.726 13.492 -14.854 Start of MODEL 66 1 H1 GLY 1 HT1 GLY 1 58.322 -3.205 5.720 2 H2 GLY 1 HT2 GLY 1 59.690 -2.367 5.159 3 H3 GLY 1 HT3 GLY 1 59.236 -3.841 4.444 4 HA2 GLY 1 HA1 GLY 1 58.696 -1.807 3.166 5 HA3 GLY 1 HA2 GLY 1 57.371 -2.951 3.456 6 H LYS 2 HN LYS 2 57.772 -1.864 6.428 7 HA LYS 2 HA LYS 2 55.499 -0.063 6.275 8 HB2 LYS 2 HB2 LYS 2 57.413 -0.397 8.612 9 HB3 LYS 2 HB1 LYS 2 55.703 0.098 8.660 10 HG2 LYS 2 HG2 LYS 2 55.144 -2.179 7.634 11 HG3 LYS 2 HG1 LYS 2 56.832 -2.642 7.953 12 HD2 LYS 2 HD2 LYS 2 54.875 -1.632 10.067 13 HD3 LYS 2 HD1 LYS 2 55.276 -3.343 9.791 14 HE2 LYS 2 HE2 LYS 2 57.756 -2.607 10.130 15 HE3 LYS 2 HE1 LYS 2 57.067 -1.122 10.829 16 HZ1 LYS 2 HZ1 LYS 2 56.849 -2.255 12.706 17 HZ2 LYS 2 HZ2 LYS 2 57.268 -3.725 11.965 18 HZ3 LYS 2 HZ3 LYS 2 55.653 -3.197 11.959 19 H GLY 3 HN GLY 3 56.576 1.729 8.421 20 HA2 GLY 3 HA1 GLY 3 57.154 4.076 8.302 21 HA3 GLY 3 HA2 GLY 3 58.721 3.368 7.629 22 H ARG 4 HN ARG 4 55.639 3.904 7.593 23 HA ARG 4 HA ARG 4 55.656 5.989 6.891 24 HB2 ARG 4 HB2 ARG 4 56.026 4.725 4.236 25 HB3 ARG 4 HB1 ARG 4 54.712 5.916 4.222 26 HG2 ARG 4 HG2 ARG 4 56.117 7.738 4.514 27 HG3 ARG 4 HG1 ARG 4 57.270 6.854 5.525 28 HD2 ARG 4 HD2 ARG 4 58.106 5.665 3.492 29 HD3 ARG 4 HD1 ARG 4 56.970 6.607 2.499 30 HE ARG 4 HE ARG 4 58.442 8.513 3.927 31 HH11 ARG 4 HH11 ARG 4 58.973 9.261 1.450 32 HH12 ARG 4 HH12 ARG 4 60.438 8.502 0.921 33 HH21 ARG 4 HH21 ARG 4 60.385 6.073 3.395 34 HH22 ARG 4 HH22 ARG 4 61.238 6.698 2.023 35 H TRP 5 HN TRP 5 54.229 3.118 6.884 36 HA TRP 5 HA TRP 5 51.628 3.237 5.926 37 HB2 TRP 5 HB2 TRP 5 52.512 1.310 7.192 38 HB3 TRP 5 HB1 TRP 5 52.454 2.264 8.695 39 HD1 TRP 5 HD1 TRP 5 49.942 1.427 5.844 40 HE1 TRP 5 HE1 TRP 5 47.629 0.886 6.899 41 HE3 TRP 5 HE3 TRP 5 51.130 2.094 10.779 42 HZ2 TRP 5 HZ2 TRP 5 46.481 0.767 9.538 43 HZ3 TRP 5 HZ3 TRP 5 49.410 1.760 12.548 44 HH2 TRP 5 HH2 TRP 5 47.089 1.098 11.933 45 H LEU 6 HN LEU 6 53.111 5.287 8.244 46 HA LEU 6 HA LEU 6 50.465 6.494 9.018 47 HB2 LEU 6 HB2 LEU 6 53.145 6.792 10.425 48 HB3 LEU 6 HB1 LEU 6 51.547 7.307 11.012 49 HG LEU 6 HG LEU 6 52.370 4.416 10.468 50 HD11 LEU 6 HD11 LEU 6 51.907 5.843 13.122 51 HD12 LEU 6 HD12 LEU 6 53.513 5.529 12.423 52 HD13 LEU 6 HD13 LEU 6 52.462 4.170 12.885 53 HD21 LEU 6 HD21 LEU 6 50.008 4.521 10.191 54 HD22 LEU 6 HD22 LEU 6 49.818 5.745 11.469 55 HD23 LEU 6 HD23 LEU 6 50.205 4.062 11.896 56 H GLU 7 HN GLU 7 53.431 6.935 7.203 57 HA GLU 7 HA GLU 7 52.866 9.907 7.064 58 HB2 GLU 7 HB2 GLU 7 55.450 8.342 6.704 59 HB3 GLU 7 HB1 GLU 7 55.261 10.066 6.308 60 HG2 GLU 7 HG2 GLU 7 54.509 10.464 8.682 61 HG3 GLU 7 HG1 GLU 7 54.883 8.762 9.040 62 H ARG 8 HN ARG 8 51.915 7.315 5.571 63 HA ARG 8 HA ARG 8 52.905 7.728 2.851 64 HB2 ARG 8 HB2 ARG 8 52.066 5.531 3.766 65 HB3 ARG 8 HB1 ARG 8 50.427 6.225 3.772 66 HG2 ARG 8 HG2 ARG 8 50.484 6.560 1.369 67 HG3 ARG 8 HG1 ARG 8 52.201 6.093 1.297 68 HD2 ARG 8 HD2 ARG 8 49.978 4.253 2.275 69 HD3 ARG 8 HD1 ARG 8 50.613 4.252 0.611 70 HE ARG 8 HE ARG 8 52.760 3.978 2.531 71 HH11 ARG 8 HH11 ARG 8 53.555 2.278 0.699 72 HH12 ARG 8 HH12 ARG 8 52.793 0.743 0.950 73 HH21 ARG 8 HH21 ARG 8 50.299 2.017 2.995 74 HH22 ARG 8 HH22 ARG 8 50.950 0.595 2.250 75 H ILE 9 HN ILE 9 52.218 9.162 1.398 76 HA ILE 9 HA ILE 9 50.307 11.154 2.023 77 HB ILE 9 HB ILE 9 51.887 11.597 0.259 78 HG12 ILE 9 HG12 ILE 9 50.473 12.410 -1.531 79 HG13 ILE 9 HG11 ILE 9 49.202 11.229 -1.152 80 HG21 ILE 9 HG21 ILE 9 50.647 9.394 -1.434 81 HG22 ILE 9 HG22 ILE 9 52.081 9.134 -0.419 82 HG23 ILE 9 HG23 ILE 9 52.132 10.317 -1.742 83 HD11 ILE 9 HD1 ILE 9 50.129 13.269 0.904 84 HD12 ILE 9 HD2 ILE 9 48.609 12.340 0.865 85 HD13 ILE 9 HD3 ILE 9 48.877 13.659 -0.298 86 H GLY 10 HN GLY 10 48.270 10.777 2.559 87 HA2 GLY 10 HA1 GLY 10 46.497 9.526 0.579 88 HA3 GLY 10 HA2 GLY 10 46.671 8.607 2.088 89 H LYS 11 HN LYS 11 46.717 12.146 1.690 90 HA LYS 11 HA LYS 11 44.951 12.611 3.869 91 HB2 LYS 11 HB2 LYS 11 46.468 14.312 2.826 92 HB3 LYS 11 HB1 LYS 11 45.367 14.384 1.430 93 HG2 LYS 11 HG2 LYS 11 43.526 15.122 2.861 94 HG3 LYS 11 HG1 LYS 11 44.536 14.929 4.313 95 HD2 LYS 11 HD2 LYS 11 46.021 16.704 3.611 96 HD3 LYS 11 HD1 LYS 11 45.250 16.789 2.009 97 HE2 LYS 11 HE2 LYS 11 43.780 17.325 4.623 98 HE3 LYS 11 HE1 LYS 11 44.507 18.601 3.618 99 HZ1 LYS 11 HZ1 LYS 11 43.041 17.044 1.884 100 HZ2 LYS 11 HZ2 LYS 11 42.627 18.587 2.465 101 HZ3 LYS 11 HZ3 LYS 11 42.053 17.196 3.254 102 H ALA 12 HN ALA 12 44.358 11.786 0.518 103 HA ALA 12 HA ALA 12 41.507 11.398 1.105 104 HB1 ALA 12 HB1 ALA 12 41.687 13.845 0.540 105 HB2 ALA 12 HB2 ALA 12 40.650 12.908 -0.564 106 HB3 ALA 12 HB3 ALA 12 42.294 13.370 -1.064 107 H GLY 13 HN GLY 13 43.870 9.839 0.324 108 HA2 GLY 13 HA1 GLY 13 44.216 8.011 -1.061 109 HA3 GLY 13 HA2 GLY 13 42.615 8.292 -1.771 110 H PHE 14 HN PHE 14 45.685 10.152 -1.647 111 HA PHE 14 HA PHE 14 46.920 11.105 -3.357 112 HB2 PHE 14 HB2 PHE 14 45.661 9.147 -5.305 113 HB3 PHE 14 HB1 PHE 14 47.309 9.822 -5.301 114 HD1 PHE 14 HD1 PHE 14 48.901 9.168 -3.410 115 HD2 PHE 14 HD2 PHE 14 45.166 7.125 -4.130 116 HE1 PHE 14 HE1 PHE 14 49.702 7.227 -2.068 117 HE2 PHE 14 HE2 PHE 14 45.969 5.184 -2.790 118 HZ PHE 14 HZ PHE 14 48.199 5.277 -1.683 119 H ILE 15 HN ILE 15 44.259 12.100 -2.722 120 HA ILE 15 HA ILE 15 42.789 13.667 -3.520 121 HB ILE 15 HB ILE 15 44.531 13.941 -6.004 122 HG12 ILE 15 HG12 ILE 15 44.906 15.176 -3.235 123 HG13 ILE 15 HG11 ILE 15 46.001 14.020 -4.029 124 HG21 ILE 15 HG21 ILE 15 42.256 15.111 -5.784 125 HG22 ILE 15 HG22 ILE 15 43.649 16.167 -6.102 126 HG23 ILE 15 HG23 ILE 15 42.975 16.052 -4.458 127 HD11 ILE 15 HD1 ILE 15 46.130 15.781 -5.953 128 HD12 ILE 15 HD2 ILE 15 47.007 16.127 -4.445 129 HD13 ILE 15 HD3 ILE 15 45.444 16.914 -4.763 130 H ILE 16 HN ILE 16 41.650 11.541 -3.678 131 HA ILE 16 HA ILE 16 40.473 11.327 -6.438 132 HB ILE 16 HB ILE 16 41.099 9.062 -4.507 133 HG12 ILE 16 HG12 ILE 16 43.038 10.083 -5.921 134 HG13 ILE 16 HG11 ILE 16 42.813 8.328 -5.962 135 HG21 ILE 16 HG21 ILE 16 39.673 9.125 -7.202 136 HG22 ILE 16 HG22 ILE 16 39.026 8.565 -5.646 137 HG23 ILE 16 HG23 ILE 16 40.291 7.626 -6.469 138 HD11 ILE 16 HD1 ILE 16 41.773 8.417 -8.132 139 HD12 ILE 16 HD2 ILE 16 43.220 9.443 -8.224 140 HD13 ILE 16 HD3 ILE 16 41.616 10.184 -8.065 141 H ILE 17 HN ILE 17 40.164 10.460 -2.964 142 HA ILE 17 HA ILE 17 37.263 10.275 -3.102 143 HB ILE 17 HB ILE 17 39.232 10.513 -0.778 144 HG12 ILE 17 HG12 ILE 17 38.522 8.188 -0.346 145 HG13 ILE 17 HG11 ILE 17 37.377 8.270 -1.703 146 HG21 ILE 17 HG21 ILE 17 37.253 11.576 0.070 147 HG22 ILE 17 HG22 ILE 17 37.163 9.893 0.639 148 HG23 ILE 17 HG23 ILE 17 36.187 10.415 -0.756 149 HD11 ILE 17 HD1 ILE 17 39.101 8.313 -3.318 150 HD12 ILE 17 HD2 ILE 17 39.715 7.165 -2.110 151 HD13 ILE 17 HD3 ILE 17 40.329 8.834 -2.141 152 H GLY 18 HN GLY 18 39.650 12.716 -2.085 153 HA2 GLY 18 HA1 GLY 18 37.610 14.684 -1.387 154 HA3 GLY 18 HA2 GLY 18 39.362 14.955 -1.514 155 H GLY 19 HN GLY 19 39.937 14.220 -4.078 156 HA2 GLY 19 HA1 GLY 19 39.094 16.535 -5.544 157 HA3 GLY 19 HA2 GLY 19 39.933 15.123 -6.214 158 H ALA 20 HN ALA 20 38.240 13.068 -5.930 159 HA ALA 20 HA ALA 20 36.408 12.083 -6.947 160 HB1 ALA 20 HB1 ALA 20 34.269 13.079 -6.592 161 HB2 ALA 20 HB2 ALA 20 34.972 14.711 -6.479 162 HB3 ALA 20 HB3 ALA 20 35.272 13.520 -5.191 163 H LEU 21 HN LEU 21 38.128 14.479 -8.320 164 HA LEU 21 HA LEU 21 38.230 15.398 -10.454 165 HB2 LEU 21 HB2 LEU 21 36.918 12.701 -10.937 166 HB3 LEU 21 HB1 LEU 21 37.312 13.795 -12.284 167 HG LEU 21 HG LEU 21 39.676 13.816 -11.620 168 HD11 LEU 21 HD11 LEU 21 40.346 12.084 -9.798 169 HD12 LEU 21 HD12 LEU 21 38.642 12.159 -9.286 170 HD13 LEU 21 HD13 LEU 21 39.652 13.625 -9.251 171 HD21 LEU 21 HD21 LEU 21 38.770 11.988 -13.100 172 HD22 LEU 21 HD22 LEU 21 38.598 10.961 -11.657 173 HD23 LEU 21 HD23 LEU 21 40.213 11.497 -12.181 174 H ASP 22 HN ASP 22 35.602 15.584 -8.717 175 HA ASP 22 HA ASP 22 33.534 16.062 -10.724 176 HB2 ASP 22 HB2 ASP 22 33.737 16.829 -7.785 177 HB3 ASP 22 HB1 ASP 22 32.282 17.030 -8.791 178 H HIS 23 HN HIS 23 35.979 17.464 -11.296 179 HA HIS 23 HA HIS 23 36.742 19.595 -11.816 180 HB2 HIS 23 HB2 HIS 23 34.621 19.396 -13.193 181 HB3 HIS 23 HB1 HIS 23 33.784 20.302 -11.910 182 HD1 HIS 23 HD1 HIS 23 37.368 21.051 -12.908 183 HD2 HIS 23 HD2 HIS 23 33.529 22.703 -13.376 184 HE1 HIS 23 HE1 HIS 23 37.658 23.373 -13.934 185 H LEU 24 HN LEU 24 36.553 19.019 -9.020 186 HA LEU 24 HA LEU 24 36.632 21.770 -8.014 187 HB2 LEU 24 HB2 LEU 24 34.248 21.449 -7.788 188 HB3 LEU 24 HB1 LEU 24 34.473 19.832 -7.091 189 HG LEU 24 HG LEU 24 35.432 20.757 -5.062 190 HD11 LEU 24 HD11 LEU 24 36.789 22.570 -5.807 191 HD12 LEU 24 HD12 LEU 24 35.500 23.349 -4.864 192 HD13 LEU 24 HD13 LEU 24 35.431 23.358 -6.643 193 HD21 LEU 24 HD21 LEU 24 33.039 22.455 -5.899 194 HD22 LEU 24 HD22 LEU 24 33.532 22.068 -4.232 195 HD23 LEU 24 HD23 LEU 24 32.940 20.779 -5.308 Start of MODEL 67 1 H1 GLY 1 HT1 GLY 1 64.325 5.982 5.398 2 H2 GLY 1 HT2 GLY 1 63.234 6.398 6.634 3 H3 GLY 1 HT3 GLY 1 62.750 6.470 5.007 4 HA2 GLY 1 HA1 GLY 1 63.352 4.007 4.963 5 HA3 GLY 1 HA2 GLY 1 63.197 4.150 6.725 6 H LYS 2 HN LYS 2 61.451 2.581 6.431 7 HA LYS 2 HA LYS 2 59.057 3.305 4.981 8 HB2 LYS 2 HB2 LYS 2 59.494 1.362 7.288 9 HB3 LYS 2 HB1 LYS 2 58.015 1.463 6.302 10 HG2 LYS 2 HG2 LYS 2 59.323 0.958 4.266 11 HG3 LYS 2 HG1 LYS 2 60.814 0.881 5.236 12 HD2 LYS 2 HD2 LYS 2 59.765 -0.960 6.597 13 HD3 LYS 2 HD1 LYS 2 58.380 -0.939 5.479 14 HE2 LYS 2 HE2 LYS 2 61.285 -1.509 4.746 15 HE3 LYS 2 HE1 LYS 2 59.957 -2.692 4.798 16 HZ1 LYS 2 HZ1 LYS 2 60.187 -2.039 2.559 17 HZ2 LYS 2 HZ2 LYS 2 60.282 -0.388 2.950 18 HZ3 LYS 2 HZ3 LYS 2 58.812 -1.223 3.126 19 H GLY 3 HN GLY 3 57.868 2.396 7.937 20 HA2 GLY 3 HA1 GLY 3 56.234 3.648 9.227 21 HA3 GLY 3 HA2 GLY 3 57.759 4.606 9.641 22 H ARG 4 HN ARG 4 55.595 3.502 7.679 23 HA ARG 4 HA ARG 4 53.927 4.838 8.154 24 HB2 ARG 4 HB2 ARG 4 55.389 6.740 6.408 25 HB3 ARG 4 HB1 ARG 4 53.673 6.620 5.971 26 HG2 ARG 4 HG2 ARG 4 52.917 7.625 7.919 27 HG3 ARG 4 HG1 ARG 4 54.224 6.972 8.922 28 HD2 ARG 4 HD2 ARG 4 54.193 9.546 8.390 29 HD3 ARG 4 HD1 ARG 4 55.738 8.669 8.285 30 HE ARG 4 HE ARG 4 55.733 9.109 5.970 31 HH11 ARG 4 HH11 ARG 4 53.136 10.724 7.232 32 HH12 ARG 4 HH12 ARG 4 52.165 10.691 5.798 33 HH21 ARG 4 HH21 ARG 4 54.239 8.473 4.125 34 HH22 ARG 4 HH22 ARG 4 52.790 9.418 4.039 35 H TRP 5 HN TRP 5 55.561 3.201 5.953 36 HA TRP 5 HA TRP 5 54.173 2.893 3.578 37 HB2 TRP 5 HB2 TRP 5 56.162 1.544 4.246 38 HB3 TRP 5 HB1 TRP 5 55.122 0.583 5.324 39 HD1 TRP 5 HD1 TRP 5 55.769 1.301 1.616 40 HE1 TRP 5 HE1 TRP 5 54.699 -0.575 0.168 41 HE3 TRP 5 HE3 TRP 5 53.266 -1.230 5.295 42 HZ2 TRP 5 HZ2 TRP 5 52.988 -2.854 0.583 43 HZ3 TRP 5 HZ3 TRP 5 51.921 -3.253 4.746 44 HH2 TRP 5 HH2 TRP 5 51.780 -4.066 2.396 45 H LEU 6 HN LEU 6 52.992 2.380 6.762 46 HA LEU 6 HA LEU 6 50.484 1.105 5.689 47 HB2 LEU 6 HB2 LEU 6 52.193 0.020 7.557 48 HB3 LEU 6 HB1 LEU 6 51.091 0.910 8.625 49 HG LEU 6 HG LEU 6 50.260 -1.125 6.500 50 HD11 LEU 6 HD11 LEU 6 49.717 -2.566 8.403 51 HD12 LEU 6 HD12 LEU 6 50.199 -1.289 9.546 52 HD13 LEU 6 HD13 LEU 6 51.422 -2.069 8.515 53 HD21 LEU 6 HD21 LEU 6 48.458 0.427 6.711 54 HD22 LEU 6 HD22 LEU 6 48.707 0.611 8.464 55 HD23 LEU 6 HD23 LEU 6 48.028 -0.899 7.813 56 H GLU 7 HN GLU 7 51.934 3.926 7.104 57 HA GLU 7 HA GLU 7 49.188 4.919 7.905 58 HB2 GLU 7 HB2 GLU 7 51.901 5.665 9.073 59 HB3 GLU 7 HB1 GLU 7 50.331 6.360 9.541 60 HG2 GLU 7 HG2 GLU 7 50.978 3.385 9.699 61 HG3 GLU 7 HG1 GLU 7 51.150 4.508 11.070 62 H ARG 8 HN ARG 8 50.577 4.955 5.274 63 HA ARG 8 HA ARG 8 51.583 7.651 4.873 64 HB2 ARG 8 HB2 ARG 8 52.095 5.621 3.432 65 HB3 ARG 8 HB1 ARG 8 50.446 5.761 2.779 66 HG2 ARG 8 HG2 ARG 8 50.956 8.123 2.105 67 HG3 ARG 8 HG1 ARG 8 52.632 7.885 2.658 68 HD2 ARG 8 HD2 ARG 8 52.426 7.518 0.209 69 HD3 ARG 8 HD1 ARG 8 52.911 6.028 1.053 70 HE ARG 8 HE ARG 8 50.960 5.100 0.123 71 HH11 ARG 8 HH11 ARG 8 50.664 8.311 -0.603 72 HH12 ARG 8 HH12 ARG 8 48.941 8.395 -0.446 73 HH21 ARG 8 HH21 ARG 8 48.650 5.243 0.968 74 HH22 ARG 8 HH22 ARG 8 47.801 6.658 0.441 75 H ILE 9 HN ILE 9 50.022 9.052 5.756 76 HA ILE 9 HA ILE 9 47.262 8.993 5.158 77 HB ILE 9 HB ILE 9 48.027 10.452 6.913 78 HG12 ILE 9 HG12 ILE 9 46.935 12.550 6.379 79 HG13 ILE 9 HG11 ILE 9 47.179 12.305 4.636 80 HG21 ILE 9 HG21 ILE 9 49.513 12.182 4.902 81 HG22 ILE 9 HG22 ILE 9 50.307 10.861 5.785 82 HG23 ILE 9 HG23 ILE 9 49.595 12.222 6.675 83 HD11 ILE 9 HD1 ILE 9 44.837 11.754 5.612 84 HD12 ILE 9 HD2 ILE 9 45.608 10.310 6.309 85 HD13 ILE 9 HD3 ILE 9 45.584 10.545 4.543 86 H GLY 10 HN GLY 10 46.576 8.672 3.129 87 HA2 GLY 10 HA1 GLY 10 47.808 10.123 0.877 88 HA3 GLY 10 HA2 GLY 10 46.494 8.933 0.800 89 H LYS 11 HN LYS 11 44.816 10.203 2.787 90 HA LYS 11 HA LYS 11 43.435 12.033 1.038 91 HB2 LYS 11 HB2 LYS 11 43.065 11.483 4.011 92 HB3 LYS 11 HB1 LYS 11 41.911 12.337 2.959 93 HG2 LYS 11 HG2 LYS 11 41.794 10.288 1.506 94 HG3 LYS 11 HG1 LYS 11 42.831 9.443 2.682 95 HD2 LYS 11 HD2 LYS 11 41.120 10.013 4.467 96 HD3 LYS 11 HD1 LYS 11 40.057 10.603 3.167 97 HE2 LYS 11 HE2 LYS 11 41.226 7.790 3.321 98 HE3 LYS 11 HE1 LYS 11 39.567 8.232 3.791 99 HZ1 LYS 11 HZ1 LYS 11 40.657 8.845 1.101 100 HZ2 LYS 11 HZ2 LYS 11 39.033 8.803 1.599 101 HZ3 LYS 11 HZ3 LYS 11 39.915 7.359 1.448 102 H ALA 12 HN ALA 12 45.085 13.602 0.578 103 HA ALA 12 HA ALA 12 46.400 15.184 2.526 104 HB1 ALA 12 HB1 ALA 12 45.360 16.183 -0.146 105 HB2 ALA 12 HB2 ALA 12 46.798 15.146 0.023 106 HB3 ALA 12 HB3 ALA 12 46.775 16.765 0.763 107 H GLY 13 HN GLY 13 43.103 14.832 1.979 108 HA2 GLY 13 HA1 GLY 13 41.274 15.969 2.820 109 HA3 GLY 13 HA2 GLY 13 42.392 16.810 3.910 110 H PHE 14 HN PHE 14 41.936 16.779 0.344 111 HA PHE 14 HA PHE 14 41.040 19.587 0.395 112 HB2 PHE 14 HB2 PHE 14 43.737 18.805 -0.778 113 HB3 PHE 14 HB1 PHE 14 42.891 20.325 -1.148 114 HD1 PHE 14 HD1 PHE 14 42.004 21.651 1.016 115 HD2 PHE 14 HD2 PHE 14 45.280 18.835 1.014 116 HE1 PHE 14 HE1 PHE 14 42.892 22.678 3.103 117 HE2 PHE 14 HE2 PHE 14 46.164 19.865 3.101 118 HZ PHE 14 HZ PHE 14 44.981 21.800 4.134 119 H ILE 15 HN ILE 15 42.632 17.268 -1.867 120 HA ILE 15 HA ILE 15 40.121 17.002 -3.379 121 HB ILE 15 HB ILE 15 41.271 17.706 -5.560 122 HG12 ILE 15 HG12 ILE 15 43.177 19.050 -3.586 123 HG13 ILE 15 HG11 ILE 15 43.594 17.672 -4.628 124 HG21 ILE 15 HG21 ILE 15 40.649 20.009 -5.319 125 HG22 ILE 15 HG22 ILE 15 40.989 19.997 -3.573 126 HG23 ILE 15 HG23 ILE 15 39.585 19.112 -4.215 127 HD11 ILE 15 HD1 ILE 15 42.805 19.194 -6.601 128 HD12 ILE 15 HD2 ILE 15 44.376 19.550 -5.844 129 HD13 ILE 15 HD3 ILE 15 42.949 20.528 -5.430 130 H ILE 16 HN ILE 16 41.111 15.024 -2.100 131 HA ILE 16 HA ILE 16 42.662 13.405 -4.117 132 HB ILE 16 HB ILE 16 42.664 13.363 -1.074 133 HG12 ILE 16 HG12 ILE 16 44.176 14.973 -2.488 134 HG13 ILE 16 HG11 ILE 16 44.922 14.031 -1.185 135 HG21 ILE 16 HG21 ILE 16 43.733 11.299 -3.042 136 HG22 ILE 16 HG22 ILE 16 42.616 11.046 -1.681 137 HG23 ILE 16 HG23 ILE 16 44.322 11.424 -1.367 138 HD11 ILE 16 HD1 ILE 16 44.910 13.062 -4.077 139 HD12 ILE 16 HD2 ILE 16 45.908 12.481 -2.728 140 HD13 ILE 16 HD3 ILE 16 46.192 14.094 -3.414 141 H ILE 17 HN ILE 17 40.713 12.791 -1.161 142 HA ILE 17 HA ILE 17 39.498 10.453 -2.399 143 HB ILE 17 HB ILE 17 39.811 10.512 0.041 144 HG12 ILE 17 HG12 ILE 17 37.582 9.850 0.775 145 HG13 ILE 17 HG11 ILE 17 36.821 10.738 -0.561 146 HG21 ILE 17 HG21 ILE 17 38.634 12.116 1.451 147 HG22 ILE 17 HG22 ILE 17 37.819 12.821 0.035 148 HG23 ILE 17 HG23 ILE 17 39.577 13.010 0.237 149 HD11 ILE 17 HD1 ILE 17 37.142 8.138 -0.788 150 HD12 ILE 17 HD2 ILE 17 38.840 8.541 -1.137 151 HD13 ILE 17 HD3 ILE 17 37.540 9.170 -2.180 152 H GLY 18 HN GLY 18 38.630 13.835 -1.835 153 HA2 GLY 18 HA1 GLY 18 35.870 13.503 -2.727 154 HA3 GLY 18 HA2 GLY 18 36.724 15.032 -2.435 155 H GLY 19 HN GLY 19 38.880 14.857 -4.128 156 HA2 GLY 19 HA1 GLY 19 37.596 15.453 -6.670 157 HA3 GLY 19 HA2 GLY 19 39.336 15.486 -6.320 158 H ALA 20 HN ALA 20 39.768 12.876 -5.469 159 HA ALA 20 HA ALA 20 40.296 10.813 -6.380 160 HB1 ALA 20 HB1 ALA 20 37.625 11.076 -7.798 161 HB2 ALA 20 HB2 ALA 20 37.817 10.571 -6.101 162 HB3 ALA 20 HB3 ALA 20 38.498 9.574 -7.410 163 H LEU 21 HN LEU 21 40.352 13.547 -8.112 164 HA LEU 21 HA LEU 21 41.030 14.124 -10.268 165 HB2 LEU 21 HB2 LEU 21 42.633 11.547 -10.187 166 HB3 LEU 21 HB1 LEU 21 43.063 13.099 -10.946 167 HG LEU 21 HG LEU 21 42.805 12.553 -7.955 168 HD11 LEU 21 HD11 LEU 21 45.195 13.236 -9.726 169 HD12 LEU 21 HD12 LEU 21 44.856 11.646 -9.000 170 HD13 LEU 21 HD13 LEU 21 45.239 13.037 -7.958 171 HD21 LEU 21 HD21 LEU 21 43.802 14.946 -7.862 172 HD22 LEU 21 HD22 LEU 21 42.079 14.809 -8.277 173 HD23 LEU 21 HD23 LEU 21 43.281 15.101 -9.558 174 H ASP 22 HN ASP 22 38.739 13.564 -10.925 175 HA ASP 22 HA ASP 22 38.903 11.879 -13.329 176 HB2 ASP 22 HB2 ASP 22 37.125 11.105 -10.984 177 HB3 ASP 22 HB1 ASP 22 36.886 10.508 -12.645 178 H HIS 23 HN HIS 23 38.613 14.521 -13.345 179 HA HIS 23 HA HIS 23 37.203 16.256 -13.978 180 HB2 HIS 23 HB2 HIS 23 36.855 14.666 -15.874 181 HB3 HIS 23 HB1 HIS 23 35.460 13.980 -15.007 182 HD1 HIS 23 HD1 HIS 23 36.364 17.688 -15.137 183 HD2 HIS 23 HD2 HIS 23 33.391 15.065 -16.536 184 HE1 HIS 23 HE1 HIS 23 34.535 19.114 -16.211 185 H LEU 24 HN LEU 24 36.788 14.844 -11.327 186 HA LEU 24 HA LEU 24 34.421 16.350 -10.564 187 HB2 LEU 24 HB2 LEU 24 33.461 14.233 -11.633 188 HB3 LEU 24 HB1 LEU 24 34.227 13.327 -10.311 189 HG LEU 24 HG LEU 24 32.959 15.062 -8.744 190 HD11 LEU 24 HD11 LEU 24 30.736 15.705 -9.742 191 HD12 LEU 24 HD12 LEU 24 31.344 15.199 -11.334 192 HD13 LEU 24 HD13 LEU 24 32.107 16.560 -10.480 193 HD21 LEU 24 HD21 LEU 24 31.529 12.835 -10.264 194 HD22 LEU 24 HD22 LEU 24 30.954 13.563 -8.744 195 HD23 LEU 24 HD23 LEU 24 32.485 12.655 -8.773 Start of MODEL 68 1 H1 GLY 1 HT1 GLY 1 61.241 2.905 2.968 2 H2 GLY 1 HT2 GLY 1 62.691 2.059 3.232 3 H3 GLY 1 HT3 GLY 1 61.495 2.102 4.438 4 HA2 GLY 1 HA1 GLY 1 61.575 0.615 1.929 5 HA3 GLY 1 HA2 GLY 1 61.199 0.048 3.567 6 H LYS 2 HN LYS 2 59.468 -0.875 1.922 7 HA LYS 2 HA LYS 2 57.328 0.937 1.193 8 HB2 LYS 2 HB2 LYS 2 57.848 -1.355 0.175 9 HB3 LYS 2 HB1 LYS 2 57.100 -2.065 1.624 10 HG2 LYS 2 HG2 LYS 2 54.993 -0.906 1.156 11 HG3 LYS 2 HG1 LYS 2 55.728 -0.070 -0.233 12 HD2 LYS 2 HD2 LYS 2 56.141 -2.261 -1.327 13 HD3 LYS 2 HD1 LYS 2 55.378 -3.088 0.053 14 HE2 LYS 2 HE2 LYS 2 54.051 -1.102 -1.844 15 HE3 LYS 2 HE1 LYS 2 53.729 -2.849 -1.734 16 HZ1 LYS 2 HZ1 LYS 2 53.179 -0.771 0.320 17 HZ2 LYS 2 HZ2 LYS 2 53.097 -2.438 0.636 18 HZ3 LYS 2 HZ3 LYS 2 52.054 -1.735 -0.506 19 H GLY 3 HN GLY 3 55.172 0.983 2.061 20 HA2 GLY 3 HA1 GLY 3 53.856 0.026 4.165 21 HA3 GLY 3 HA2 GLY 3 55.207 0.827 5.098 22 H ARG 4 HN ARG 4 56.059 2.437 4.286 23 HA ARG 4 HA ARG 4 54.622 3.455 5.957 24 HB2 ARG 4 HB2 ARG 4 56.694 4.985 4.321 25 HB3 ARG 4 HB1 ARG 4 55.959 5.661 5.797 26 HG2 ARG 4 HG2 ARG 4 56.734 3.730 7.106 27 HG3 ARG 4 HG1 ARG 4 57.397 2.973 5.638 28 HD2 ARG 4 HD2 ARG 4 58.999 4.792 5.360 29 HD3 ARG 4 HD1 ARG 4 58.273 5.687 6.716 30 HE ARG 4 HE ARG 4 59.640 4.384 8.116 31 HH11 ARG 4 HH11 ARG 4 61.252 3.386 5.775 32 HH12 ARG 4 HH12 ARG 4 61.111 1.668 5.954 33 HH21 ARG 4 HH21 ARG 4 58.417 1.849 8.130 34 HH22 ARG 4 HH22 ARG 4 59.508 0.799 7.287 35 H TRP 5 HN TRP 5 53.998 3.451 2.845 36 HA TRP 5 HA TRP 5 52.985 5.819 1.823 37 HB2 TRP 5 HB2 TRP 5 52.822 3.549 0.759 38 HB3 TRP 5 HB1 TRP 5 51.435 3.204 1.820 39 HD1 TRP 5 HD1 TRP 5 52.503 5.918 -0.742 40 HE1 TRP 5 HE1 TRP 5 50.397 6.735 -2.029 41 HE3 TRP 5 HE3 TRP 5 48.947 3.153 1.691 42 HZ2 TRP 5 HZ2 TRP 5 47.562 6.233 -1.984 43 HZ3 TRP 5 HZ3 TRP 5 46.547 3.338 1.052 44 HH2 TRP 5 HH2 TRP 5 45.852 4.875 -0.782 45 H LEU 6 HN LEU 6 51.891 4.171 4.670 46 HA LEU 6 HA LEU 6 49.441 5.905 4.831 47 HB2 LEU 6 HB2 LEU 6 48.977 3.517 5.004 48 HB3 LEU 6 HB1 LEU 6 50.214 3.330 6.264 49 HG LEU 6 HG LEU 6 48.913 4.744 7.804 50 HD11 LEU 6 HD11 LEU 6 47.153 5.124 5.352 51 HD12 LEU 6 HD12 LEU 6 47.815 6.357 6.452 52 HD13 LEU 6 HD13 LEU 6 46.485 5.312 6.992 53 HD21 LEU 6 HD21 LEU 6 48.431 2.293 7.619 54 HD22 LEU 6 HD22 LEU 6 47.134 2.665 6.457 55 HD23 LEU 6 HD23 LEU 6 47.015 3.237 8.139 56 H GLU 7 HN GLU 7 52.614 5.245 6.231 57 HA GLU 7 HA GLU 7 52.334 6.125 8.856 58 HB2 GLU 7 HB2 GLU 7 54.463 5.417 7.620 59 HB3 GLU 7 HB1 GLU 7 54.573 7.098 7.048 60 HG2 GLU 7 HG2 GLU 7 55.908 6.984 9.045 61 HG3 GLU 7 HG1 GLU 7 54.401 7.811 9.504 62 H ARG 8 HN ARG 8 52.581 8.155 5.918 63 HA ARG 8 HA ARG 8 52.604 10.669 7.288 64 HB2 ARG 8 HB2 ARG 8 51.576 9.915 4.523 65 HB3 ARG 8 HB1 ARG 8 51.794 11.584 5.091 66 HG2 ARG 8 HG2 ARG 8 54.116 9.627 5.262 67 HG3 ARG 8 HG1 ARG 8 53.727 10.391 3.707 68 HD2 ARG 8 HD2 ARG 8 54.361 11.854 6.312 69 HD3 ARG 8 HD1 ARG 8 55.424 11.715 4.894 70 HE ARG 8 HE ARG 8 53.025 12.843 3.950 71 HH11 ARG 8 HH11 ARG 8 55.442 13.520 6.314 72 HH12 ARG 8 HH12 ARG 8 55.300 15.238 6.161 73 HH21 ARG 8 HH21 ARG 8 52.844 15.083 3.718 74 HH22 ARG 8 HH22 ARG 8 53.828 16.124 4.692 75 H ILE 9 HN ILE 9 50.693 12.299 6.685 76 HA ILE 9 HA ILE 9 48.588 11.775 8.450 77 HB ILE 9 HB ILE 9 49.106 14.012 7.441 78 HG12 ILE 9 HG12 ILE 9 46.214 13.109 7.034 79 HG13 ILE 9 HG11 ILE 9 46.936 13.500 8.612 80 HG21 ILE 9 HG21 ILE 9 48.393 14.573 5.221 81 HG22 ILE 9 HG22 ILE 9 47.495 13.046 5.043 82 HG23 ILE 9 HG23 ILE 9 49.274 13.035 5.069 83 HD11 ILE 9 HD1 ILE 9 47.556 15.790 7.564 84 HD12 ILE 9 HD2 ILE 9 45.839 15.503 7.935 85 HD13 ILE 9 HD3 ILE 9 46.423 15.356 6.261 86 H GLY 10 HN GLY 10 48.883 10.923 5.020 87 HA2 GLY 10 HA1 GLY 10 47.499 9.666 3.650 88 HA3 GLY 10 HA2 GLY 10 47.198 8.705 5.110 89 H LYS 11 HN LYS 11 46.243 11.868 3.696 90 HA LYS 11 HA LYS 11 43.437 11.141 3.716 91 HB2 LYS 11 HB2 LYS 11 43.972 11.578 6.194 92 HB3 LYS 11 HB1 LYS 11 44.215 13.276 5.734 93 HG2 LYS 11 HG2 LYS 11 41.942 13.332 6.300 94 HG3 LYS 11 HG1 LYS 11 41.826 12.981 4.564 95 HD2 LYS 11 HD2 LYS 11 40.397 11.337 5.436 96 HD3 LYS 11 HD1 LYS 11 41.927 10.434 5.376 97 HE2 LYS 11 HE2 LYS 11 42.338 10.953 7.764 98 HE3 LYS 11 HE1 LYS 11 40.828 11.893 7.824 99 HZ1 LYS 11 HZ1 LYS 11 40.408 9.708 8.653 100 HZ2 LYS 11 HZ2 LYS 11 41.110 8.979 7.288 101 HZ3 LYS 11 HZ3 LYS 11 39.651 9.839 7.141 102 H ALA 12 HN ALA 12 44.157 11.841 1.517 103 HA ALA 12 HA ALA 12 44.732 14.670 1.104 104 HB1 ALA 12 HB1 ALA 12 43.729 12.643 -0.919 105 HB2 ALA 12 HB2 ALA 12 45.431 12.780 -0.418 106 HB3 ALA 12 HB3 ALA 12 44.630 14.143 -1.237 107 H GLY 13 HN GLY 13 42.833 15.298 2.538 108 HA2 GLY 13 HA1 GLY 13 40.685 16.143 2.743 109 HA3 GLY 13 HA2 GLY 13 40.845 16.543 1.021 110 H PHE 14 HN PHE 14 40.327 13.632 3.065 111 HA PHE 14 HA PHE 14 38.869 11.854 2.786 112 HB2 PHE 14 HB2 PHE 14 37.143 13.936 1.385 113 HB3 PHE 14 HB1 PHE 14 36.590 12.384 2.057 114 HD1 PHE 14 HD1 PHE 14 36.653 11.979 4.521 115 HD2 PHE 14 HD2 PHE 14 37.615 15.830 2.823 116 HE1 PHE 14 HE1 PHE 14 36.390 13.033 6.762 117 HE2 PHE 14 HE2 PHE 14 37.351 16.883 5.066 118 HZ PHE 14 HZ PHE 14 36.666 15.496 7.020 119 H ILE 15 HN ILE 15 40.917 12.333 0.761 120 HA ILE 15 HA ILE 15 41.530 11.495 -1.290 121 HB ILE 15 HB ILE 15 38.969 9.847 -1.261 122 HG12 ILE 15 HG12 ILE 15 40.344 9.698 0.930 123 HG13 ILE 15 HG11 ILE 15 39.994 8.178 0.089 124 HG21 ILE 15 HG21 ILE 15 40.520 8.200 -2.449 125 HG22 ILE 15 HG22 ILE 15 41.687 9.537 -2.580 126 HG23 ILE 15 HG23 ILE 15 40.090 9.671 -3.353 127 HD11 ILE 15 HD1 ILE 15 42.389 8.438 0.921 128 HD12 ILE 15 HD2 ILE 15 42.601 9.715 -0.294 129 HD13 ILE 15 HD3 ILE 15 42.230 8.054 -0.806 130 H ILE 16 HN ILE 16 40.906 13.776 -1.754 131 HA ILE 16 HA ILE 16 38.995 13.764 -4.074 132 HB ILE 16 HB ILE 16 39.333 15.938 -1.971 133 HG12 ILE 16 HG12 ILE 16 37.913 13.832 -1.380 134 HG13 ILE 16 HG11 ILE 16 37.182 15.425 -1.131 135 HG21 ILE 16 HG21 ILE 16 38.957 16.981 -4.111 136 HG22 ILE 16 HG22 ILE 16 37.396 17.003 -3.261 137 HG23 ILE 16 HG23 ILE 16 37.698 15.802 -4.539 138 HD11 ILE 16 HD1 ILE 16 36.740 13.795 -3.672 139 HD12 ILE 16 HD2 ILE 16 35.844 15.228 -3.125 140 HD13 ILE 16 HD3 ILE 16 35.683 13.689 -2.250 141 H ILE 17 HN ILE 17 41.639 15.415 -2.314 142 HA ILE 17 HA ILE 17 42.505 16.880 -4.695 143 HB ILE 17 HB ILE 17 44.114 16.299 -2.167 144 HG12 ILE 17 HG12 ILE 17 42.078 17.248 -1.353 145 HG13 ILE 17 HG11 ILE 17 43.224 18.598 -1.421 146 HG21 ILE 17 HG21 ILE 17 44.310 18.342 -4.412 147 HG22 ILE 17 HG22 ILE 17 45.550 17.229 -3.801 148 HG23 ILE 17 HG23 ILE 17 45.062 18.631 -2.827 149 HD11 ILE 17 HD1 ILE 17 40.940 17.968 -3.325 150 HD12 ILE 17 HD2 ILE 17 42.232 19.109 -3.754 151 HD13 ILE 17 HD3 ILE 17 41.190 19.435 -2.354 152 H GLY 18 HN GLY 18 43.642 14.051 -2.829 153 HA2 GLY 18 HA1 GLY 18 45.802 13.489 -4.705 154 HA3 GLY 18 HA2 GLY 18 45.249 12.458 -3.368 155 H GLY 19 HN GLY 19 42.647 11.951 -3.915 156 HA2 GLY 19 HA1 GLY 19 42.858 9.961 -5.973 157 HA3 GLY 19 HA2 GLY 19 41.367 10.483 -5.165 158 H ALA 20 HN ALA 20 41.531 13.260 -5.918 159 HA ALA 20 HA ALA 20 40.676 14.568 -7.638 160 HB1 ALA 20 HB1 ALA 20 42.492 12.906 -9.412 161 HB2 ALA 20 HB2 ALA 20 43.072 14.212 -8.351 162 HB3 ALA 20 HB3 ALA 20 41.942 14.575 -9.679 163 H LEU 21 HN LEU 21 39.152 12.234 -6.969 164 HA LEU 21 HA LEU 21 38.320 10.691 -9.191 165 HB2 LEU 21 HB2 LEU 21 36.454 11.737 -7.030 166 HB3 LEU 21 HB1 LEU 21 36.329 10.216 -7.945 167 HG LEU 21 HG LEU 21 38.470 10.948 -5.898 168 HD11 LEU 21 HD11 LEU 21 36.289 8.816 -5.953 169 HD12 LEU 21 HD12 LEU 21 36.290 10.286 -4.948 170 HD13 LEU 21 HD13 LEU 21 37.505 9.017 -4.670 171 HD21 LEU 21 HD21 LEU 21 39.119 8.460 -6.324 172 HD22 LEU 21 HD22 LEU 21 39.626 9.657 -7.535 173 HD23 LEU 21 HD23 LEU 21 38.212 8.621 -7.847 174 H ASP 22 HN ASP 22 38.079 14.052 -8.704 175 HA ASP 22 HA ASP 22 35.598 14.665 -9.946 176 HB2 ASP 22 HB2 ASP 22 37.069 16.312 -8.791 177 HB3 ASP 22 HB1 ASP 22 38.213 16.211 -10.150 178 H HIS 23 HN HIS 23 38.740 15.191 -11.577 179 HA HIS 23 HA HIS 23 37.450 14.691 -14.189 180 HB2 HIS 23 HB2 HIS 23 40.351 15.325 -13.516 181 HB3 HIS 23 HB1 HIS 23 39.588 15.406 -15.122 182 HD1 HIS 23 HD1 HIS 23 40.314 17.426 -12.163 183 HD2 HIS 23 HD2 HIS 23 37.307 17.387 -15.103 184 HE1 HIS 23 HE1 HIS 23 39.161 19.706 -12.105 185 H LEU 24 HN LEU 24 39.530 13.040 -11.890 186 HA LEU 24 HA LEU 24 40.563 11.083 -13.754 187 HB2 LEU 24 HB2 LEU 24 41.482 11.694 -11.433 188 HB3 LEU 24 HB1 LEU 24 40.164 10.705 -10.766 189 HG LEU 24 HG LEU 24 41.064 8.848 -12.441 190 HD11 LEU 24 HD11 LEU 24 42.704 10.191 -13.650 191 HD12 LEU 24 HD12 LEU 24 43.578 9.000 -12.662 192 HD13 LEU 24 HD13 LEU 24 43.480 10.693 -12.130 193 HD21 LEU 24 HD21 LEU 24 41.124 8.645 -9.987 194 HD22 LEU 24 HD22 LEU 24 42.582 9.662 -9.920 195 HD23 LEU 24 HD23 LEU 24 42.650 8.057 -10.688 Start of MODEL 69 1 H1 GLY 1 HT1 GLY 1 61.902 5.113 -0.369 2 H2 GLY 1 HT2 GLY 1 62.723 4.143 -1.498 3 H3 GLY 1 HT3 GLY 1 63.595 5.043 -0.351 4 HA2 GLY 1 HA1 GLY 1 63.104 2.502 -0.083 5 HA3 GLY 1 HA2 GLY 1 63.257 3.619 1.288 6 H LYS 2 HN LYS 2 61.800 1.154 1.276 7 HA LYS 2 HA LYS 2 58.995 1.576 0.863 8 HB2 LYS 2 HB2 LYS 2 58.707 -0.397 2.326 9 HB3 LYS 2 HB1 LYS 2 59.986 -0.663 1.117 10 HG2 LYS 2 HG2 LYS 2 61.647 0.142 2.916 11 HG3 LYS 2 HG1 LYS 2 60.306 -0.016 4.075 12 HD2 LYS 2 HD2 LYS 2 61.332 -2.252 2.267 13 HD3 LYS 2 HD1 LYS 2 61.734 -2.066 3.990 14 HE2 LYS 2 HE2 LYS 2 59.168 -2.073 4.399 15 HE3 LYS 2 HE1 LYS 2 59.040 -2.699 2.737 16 HZ1 LYS 2 HZ1 LYS 2 59.663 -4.109 5.066 17 HZ2 LYS 2 HZ2 LYS 2 61.059 -4.108 4.099 18 HZ3 LYS 2 HZ3 LYS 2 59.592 -4.695 3.477 19 H GLY 3 HN GLY 3 57.542 1.098 2.990 20 HA2 GLY 3 HA1 GLY 3 57.427 1.887 5.439 21 HA3 GLY 3 HA2 GLY 3 58.104 3.475 4.851 22 H ARG 4 HN ARG 4 57.612 4.128 3.061 23 HA ARG 4 HA ARG 4 56.117 5.447 4.440 24 HB2 ARG 4 HB2 ARG 4 56.308 5.951 1.430 25 HB3 ARG 4 HB1 ARG 4 55.831 7.161 2.646 26 HG2 ARG 4 HG2 ARG 4 58.025 6.716 3.836 27 HG3 ARG 4 HG1 ARG 4 58.501 5.701 2.452 28 HD2 ARG 4 HD2 ARG 4 59.411 7.941 2.125 29 HD3 ARG 4 HD1 ARG 4 58.108 7.677 0.941 30 HE ARG 4 HE ARG 4 56.823 8.869 3.098 31 HH11 ARG 4 HH11 ARG 4 56.549 10.559 0.945 32 HH12 ARG 4 HH12 ARG 4 57.693 11.841 1.157 33 HH21 ARG 4 HH21 ARG 4 59.612 10.105 3.466 34 HH22 ARG 4 HH22 ARG 4 59.428 11.584 2.584 35 H TRP 5 HN TRP 5 55.193 2.959 2.695 36 HA TRP 5 HA TRP 5 52.773 3.254 1.376 37 HB2 TRP 5 HB2 TRP 5 53.905 1.085 1.853 38 HB3 TRP 5 HB1 TRP 5 53.309 1.178 3.528 39 HD1 TRP 5 HD1 TRP 5 51.724 1.491 -0.009 40 HE1 TRP 5 HE1 TRP 5 49.455 0.218 -0.026 41 HE3 TRP 5 HE3 TRP 5 51.667 -0.118 4.850 42 HZ2 TRP 5 HZ2 TRP 5 47.859 -1.287 1.841 43 HZ3 TRP 5 HZ3 TRP 5 49.762 -1.471 5.711 44 HH2 TRP 5 HH2 TRP 5 47.860 -2.055 4.213 45 H LEU 6 HN LEU 6 53.412 3.931 4.718 46 HA LEU 6 HA LEU 6 50.485 4.173 5.332 47 HB2 LEU 6 HB2 LEU 6 51.771 2.806 6.898 48 HB3 LEU 6 HB1 LEU 6 52.954 4.113 7.119 49 HG LEU 6 HG LEU 6 51.234 5.543 8.148 50 HD11 LEU 6 HD11 LEU 6 48.982 4.310 8.712 51 HD12 LEU 6 HD12 LEU 6 49.401 3.253 7.344 52 HD13 LEU 6 HD13 LEU 6 49.183 5.001 7.088 53 HD21 LEU 6 HD21 LEU 6 51.146 2.735 9.334 54 HD22 LEU 6 HD22 LEU 6 50.920 4.271 10.205 55 HD23 LEU 6 HD23 LEU 6 52.511 3.862 9.519 56 H GLU 7 HN GLU 7 53.475 6.004 4.826 57 HA GLU 7 HA GLU 7 52.885 8.367 6.233 58 HB2 GLU 7 HB2 GLU 7 54.935 7.761 4.759 59 HB3 GLU 7 HB1 GLU 7 53.984 8.401 3.399 60 HG2 GLU 7 HG2 GLU 7 54.563 9.971 5.954 61 HG3 GLU 7 HG1 GLU 7 55.530 10.095 4.467 62 H ARG 8 HN ARG 8 51.535 7.161 3.187 63 HA ARG 8 HA ARG 8 50.285 9.449 2.181 64 HB2 ARG 8 HB2 ARG 8 50.263 7.136 1.174 65 HB3 ARG 8 HB1 ARG 8 48.993 6.700 2.344 66 HG2 ARG 8 HG2 ARG 8 47.525 8.452 1.467 67 HG3 ARG 8 HG1 ARG 8 48.806 9.015 0.366 68 HD2 ARG 8 HD2 ARG 8 47.119 7.534 -0.765 69 HD3 ARG 8 HD1 ARG 8 48.776 6.885 -0.834 70 HE ARG 8 HE ARG 8 48.037 5.073 0.486 71 HH11 ARG 8 HH11 ARG 8 45.272 5.385 -0.487 72 HH12 ARG 8 HH12 ARG 8 44.363 5.577 0.975 73 HH21 ARG 8 HH21 ARG 8 47.136 6.343 2.912 74 HH22 ARG 8 HH22 ARG 8 45.418 6.119 2.899 75 H ILE 9 HN ILE 9 48.747 10.812 2.832 76 HA ILE 9 HA ILE 9 47.624 10.575 5.471 77 HB ILE 9 HB ILE 9 48.016 12.750 4.290 78 HG12 ILE 9 HG12 ILE 9 45.135 12.223 5.149 79 HG13 ILE 9 HG11 ILE 9 46.491 12.574 6.242 80 HG21 ILE 9 HG21 ILE 9 47.027 11.815 2.070 81 HG22 ILE 9 HG22 ILE 9 46.646 13.495 2.507 82 HG23 ILE 9 HG23 ILE 9 45.438 12.217 2.767 83 HD11 ILE 9 HD1 ILE 9 46.821 14.743 4.887 84 HD12 ILE 9 HD2 ILE 9 45.377 14.665 5.923 85 HD13 ILE 9 HD3 ILE 9 45.227 14.406 4.169 86 H GLY 10 HN GLY 10 46.139 10.251 2.207 87 HA2 GLY 10 HA1 GLY 10 44.062 9.382 1.622 88 HA3 GLY 10 HA2 GLY 10 44.604 8.023 2.624 89 H LYS 11 HN LYS 11 42.910 11.169 2.728 90 HA LYS 11 HA LYS 11 40.977 10.001 4.672 91 HB2 LYS 11 HB2 LYS 11 42.786 12.374 5.246 92 HB3 LYS 11 HB1 LYS 11 41.189 12.235 6.018 93 HG2 LYS 11 HG2 LYS 11 41.808 10.023 6.930 94 HG3 LYS 11 HG1 LYS 11 43.398 10.133 6.142 95 HD2 LYS 11 HD2 LYS 11 43.860 12.224 7.442 96 HD3 LYS 11 HD1 LYS 11 42.311 12.000 8.291 97 HE2 LYS 11 HE2 LYS 11 43.066 9.827 9.157 98 HE3 LYS 11 HE1 LYS 11 44.592 9.976 8.254 99 HZ1 LYS 11 HZ1 LYS 11 45.170 11.897 9.542 100 HZ2 LYS 11 HZ2 LYS 11 44.768 10.640 10.612 101 HZ3 LYS 11 HZ3 LYS 11 43.667 11.903 10.327 102 H ALA 12 HN ALA 12 41.811 11.939 2.014 103 HA ALA 12 HA ALA 12 40.557 13.355 0.671 104 HB1 ALA 12 HB1 ALA 12 38.239 12.827 0.397 105 HB2 ALA 12 HB2 ALA 12 38.138 12.130 2.032 106 HB3 ALA 12 HB3 ALA 12 39.070 11.298 0.764 107 H GLY 13 HN GLY 13 41.592 14.839 2.455 108 HA2 GLY 13 HA1 GLY 13 40.203 16.021 4.529 109 HA3 GLY 13 HA2 GLY 13 41.301 16.914 3.458 110 H PHE 14 HN PHE 14 37.971 15.988 4.103 111 HA PHE 14 HA PHE 14 35.982 17.025 3.554 112 HB2 PHE 14 HB2 PHE 14 37.351 19.101 4.243 113 HB3 PHE 14 HB1 PHE 14 37.563 19.401 2.504 114 HD1 PHE 14 HD1 PHE 14 34.939 18.789 5.125 115 HD2 PHE 14 HD2 PHE 14 35.842 20.475 1.255 116 HE1 PHE 14 HE1 PHE 14 32.668 19.811 5.040 117 HE2 PHE 14 HE2 PHE 14 33.571 21.497 1.170 118 HZ PHE 14 HZ PHE 14 31.993 21.184 3.073 119 H ILE 15 HN ILE 15 37.018 15.208 1.756 120 HA ILE 15 HA ILE 15 36.734 14.473 -0.404 121 HB ILE 15 HB ILE 15 34.908 16.877 -0.796 122 HG12 ILE 15 HG12 ILE 15 34.214 15.780 1.250 123 HG13 ILE 15 HG11 ILE 15 33.070 15.318 -0.026 124 HG21 ILE 15 HG21 ILE 15 33.721 14.948 -2.236 125 HG22 ILE 15 HG22 ILE 15 35.367 14.278 -2.278 126 HG23 ILE 15 HG23 ILE 15 35.054 15.908 -2.907 127 HD11 ILE 15 HD1 ILE 15 35.271 13.658 1.245 128 HD12 ILE 15 HD2 ILE 15 34.606 13.227 -0.347 129 HD13 ILE 15 HD3 ILE 15 33.544 13.275 1.076 130 H ILE 16 HN ILE 16 38.979 15.069 -0.666 131 HA ILE 16 HA ILE 16 39.255 17.037 -2.917 132 HB ILE 16 HB ILE 16 41.189 16.743 -0.582 133 HG12 ILE 16 HG12 ILE 16 38.987 18.082 -0.189 134 HG13 ILE 16 HG11 ILE 16 40.517 18.868 0.219 135 HG21 ILE 16 HG21 ILE 16 42.307 18.732 -1.735 136 HG22 ILE 16 HG22 ILE 16 41.247 18.414 -3.130 137 HG23 ILE 16 HG23 ILE 16 42.420 17.188 -2.607 138 HD11 ILE 16 HD1 ILE 16 39.125 19.273 -2.466 139 HD12 ILE 16 HD2 ILE 16 40.462 20.218 -1.775 140 HD13 ILE 16 HD3 ILE 16 38.840 20.312 -1.055 141 H ILE 17 HN ILE 17 40.997 14.562 -0.953 142 HA ILE 17 HA ILE 17 42.606 13.712 -3.224 143 HB ILE 17 HB ILE 17 41.944 12.074 -0.735 144 HG12 ILE 17 HG12 ILE 17 42.715 14.180 0.115 145 HG13 ILE 17 HG11 ILE 17 44.110 13.087 0.185 146 HG21 ILE 17 HG21 ILE 17 43.069 10.674 -2.262 147 HG22 ILE 17 HG22 ILE 17 44.388 11.282 -1.241 148 HG23 ILE 17 HG23 ILE 17 44.120 11.975 -2.855 149 HD11 ILE 17 HD1 ILE 17 43.560 15.310 -1.812 150 HD12 ILE 17 HD2 ILE 17 44.783 14.058 -2.113 151 HD13 ILE 17 HD3 ILE 17 44.944 15.139 -0.714 152 H GLY 18 HN GLY 18 39.755 12.400 -1.511 153 HA2 GLY 18 HA1 GLY 18 39.396 10.240 -3.425 154 HA3 GLY 18 HA2 GLY 18 38.249 10.755 -2.169 155 H GLY 19 HN GLY 19 37.908 13.436 -2.835 156 HA2 GLY 19 HA1 GLY 19 35.907 13.265 -4.844 157 HA3 GLY 19 HA2 GLY 19 36.636 14.763 -4.232 158 H ALA 20 HN ALA 20 39.249 14.577 -5.001 159 HA ALA 20 HA ALA 20 39.178 15.442 -7.687 160 HB1 ALA 20 HB1 ALA 20 41.655 15.013 -7.653 161 HB2 ALA 20 HB2 ALA 20 41.442 14.227 -6.070 162 HB3 ALA 20 HB3 ALA 20 41.058 15.954 -6.266 163 H LEU 21 HN LEU 21 38.883 12.284 -6.424 164 HA LEU 21 HA LEU 21 38.783 10.209 -7.438 165 HB2 LEU 21 HB2 LEU 21 37.220 11.607 -8.940 166 HB3 LEU 21 HB1 LEU 21 38.574 11.678 -10.088 167 HG LEU 21 HG LEU 21 38.623 9.034 -9.772 168 HD11 LEU 21 HD11 LEU 21 36.970 8.863 -7.971 169 HD12 LEU 21 HD12 LEU 21 36.291 8.136 -9.443 170 HD13 LEU 21 HD13 LEU 21 35.774 9.759 -8.936 171 HD21 LEU 21 HD21 LEU 21 36.449 10.495 -11.339 172 HD22 LEU 21 HD22 LEU 21 36.946 8.809 -11.622 173 HD23 LEU 21 HD23 LEU 21 38.100 10.137 -11.898 174 H ASP 22 HN ASP 22 40.582 9.048 -7.356 175 HA ASP 22 HA ASP 22 42.692 8.255 -7.878 176 HB2 ASP 22 HB2 ASP 22 42.128 9.478 -10.611 177 HB3 ASP 22 HB1 ASP 22 43.351 8.243 -10.239 178 H HIS 23 HN HIS 23 42.792 11.088 -10.057 179 HA HIS 23 HA HIS 23 44.338 12.706 -8.218 180 HB2 HIS 23 HB2 HIS 23 46.024 10.933 -8.811 181 HB3 HIS 23 HB1 HIS 23 45.895 11.449 -10.509 182 HD1 HIS 23 HD1 HIS 23 45.565 14.142 -7.950 183 HD2 HIS 23 HD2 HIS 23 48.666 12.381 -10.178 184 HE1 HIS 23 HE1 HIS 23 47.572 15.717 -7.839 185 H LEU 24 HN LEU 24 42.085 12.675 -10.245 186 HA LEU 24 HA LEU 24 43.060 14.548 -12.331 187 HB2 LEU 24 HB2 LEU 24 40.178 13.774 -11.763 188 HB3 LEU 24 HB1 LEU 24 40.899 14.328 -13.293 189 HG LEU 24 HG LEU 24 41.464 11.683 -11.877 190 HD11 LEU 24 HD11 LEU 24 39.265 11.867 -13.065 191 HD12 LEU 24 HD12 LEU 24 40.360 10.689 -13.827 192 HD13 LEU 24 HD13 LEU 24 40.137 12.298 -14.555 193 HD21 LEU 24 HD21 LEU 24 43.515 12.321 -12.931 194 HD22 LEU 24 HD22 LEU 24 42.673 13.011 -14.340 195 HD23 LEU 24 HD23 LEU 24 42.720 11.247 -14.104 Start of MODEL 70 1 H1 GLY 1 HT1 GLY 1 61.014 -2.118 1.849 2 H2 GLY 1 HT2 GLY 1 60.252 -2.611 3.285 3 H3 GLY 1 HT3 GLY 1 61.007 -1.091 3.198 4 HA2 GLY 1 HA1 GLY 1 59.424 -0.543 1.376 5 HA3 GLY 1 HA2 GLY 1 58.548 -2.003 1.876 6 H LYS 2 HN LYS 2 60.221 -0.483 4.435 7 HA LYS 2 HA LYS 2 57.751 0.149 5.798 8 HB2 LYS 2 HB2 LYS 2 60.529 1.161 6.498 9 HB3 LYS 2 HB1 LYS 2 59.148 0.908 7.593 10 HG2 LYS 2 HG2 LYS 2 59.240 -1.571 6.901 11 HG3 LYS 2 HG1 LYS 2 60.815 -1.199 6.159 12 HD2 LYS 2 HD2 LYS 2 60.077 -0.737 9.085 13 HD3 LYS 2 HD1 LYS 2 61.089 -2.065 8.470 14 HE2 LYS 2 HE2 LYS 2 62.573 -0.190 7.435 15 HE3 LYS 2 HE1 LYS 2 61.701 0.908 8.532 16 HZ1 LYS 2 HZ1 LYS 2 62.306 -0.960 10.254 17 HZ2 LYS 2 HZ2 LYS 2 63.412 0.269 9.864 18 HZ3 LYS 2 HZ3 LYS 2 63.564 -1.269 9.160 19 H GLY 3 HN GLY 3 58.129 2.533 7.059 20 HA2 GLY 3 HA1 GLY 3 58.381 4.938 6.610 21 HA3 GLY 3 HA2 GLY 3 58.240 4.627 4.820 22 H ARG 4 HN ARG 4 56.889 3.330 4.170 23 HA ARG 4 HA ARG 4 55.747 5.421 3.745 24 HB2 ARG 4 HB2 ARG 4 54.611 2.740 2.823 25 HB3 ARG 4 HB1 ARG 4 54.139 4.309 2.123 26 HG2 ARG 4 HG2 ARG 4 56.405 4.765 1.414 27 HG3 ARG 4 HG1 ARG 4 57.032 3.371 2.327 28 HD2 ARG 4 HD2 ARG 4 55.904 1.808 0.864 29 HD3 ARG 4 HD1 ARG 4 55.018 3.123 0.055 30 HE ARG 4 HE ARG 4 56.906 3.360 -1.325 31 HH11 ARG 4 HH11 ARG 4 59.155 4.120 -1.181 32 HH12 ARG 4 HH12 ARG 4 60.239 3.116 -0.278 33 HH21 ARG 4 HH21 ARG 4 57.716 1.189 1.116 34 HH22 ARG 4 HH22 ARG 4 59.426 1.457 1.023 35 H TRP 5 HN TRP 5 55.012 3.429 6.124 36 HA TRP 5 HA TRP 5 52.261 3.222 6.592 37 HB2 TRP 5 HB2 TRP 5 54.444 3.997 8.567 38 HB3 TRP 5 HB1 TRP 5 52.799 3.506 9.037 39 HD1 TRP 5 HD1 TRP 5 56.112 2.147 7.862 40 HE1 TRP 5 HE1 TRP 5 56.046 -0.450 7.769 41 HE3 TRP 5 HE3 TRP 5 51.089 1.443 8.560 42 HZ2 TRP 5 HZ2 TRP 5 54.060 -2.525 7.973 43 HZ3 TRP 5 HZ3 TRP 5 50.131 -0.855 8.607 44 HH2 TRP 5 HH2 TRP 5 51.611 -2.837 8.314 45 H LEU 6 HN LEU 6 54.075 6.104 6.169 46 HA LEU 6 HA LEU 6 51.701 7.740 7.018 47 HB2 LEU 6 HB2 LEU 6 54.104 7.714 8.384 48 HB3 LEU 6 HB1 LEU 6 54.403 9.027 7.229 49 HG LEU 6 HG LEU 6 51.996 8.829 9.105 50 HD11 LEU 6 HD11 LEU 6 54.375 10.733 9.183 51 HD12 LEU 6 HD12 LEU 6 54.249 9.266 10.184 52 HD13 LEU 6 HD13 LEU 6 53.071 10.586 10.384 53 HD21 LEU 6 HD21 LEU 6 51.790 11.303 8.369 54 HD22 LEU 6 HD22 LEU 6 51.319 10.074 7.175 55 HD23 LEU 6 HD23 LEU 6 52.899 10.883 7.042 56 H GLU 7 HN GLU 7 53.785 6.747 4.484 57 HA GLU 7 HA GLU 7 53.737 9.354 3.079 58 HB2 GLU 7 HB2 GLU 7 55.607 7.627 2.901 59 HB3 GLU 7 HB1 GLU 7 54.480 6.631 1.954 60 HG2 GLU 7 HG2 GLU 7 55.764 7.898 0.364 61 HG3 GLU 7 HG1 GLU 7 54.158 8.659 0.428 62 H ARG 8 HN ARG 8 51.842 6.422 3.304 63 HA ARG 8 HA ARG 8 50.497 6.362 0.851 64 HB2 ARG 8 HB2 ARG 8 49.414 5.918 3.659 65 HB3 ARG 8 HB1 ARG 8 48.532 5.496 2.172 66 HG2 ARG 8 HG2 ARG 8 50.391 4.014 1.482 67 HG3 ARG 8 HG1 ARG 8 51.281 4.436 2.965 68 HD2 ARG 8 HD2 ARG 8 48.597 3.003 2.778 69 HD3 ARG 8 HD1 ARG 8 50.141 2.321 3.344 70 HE ARG 8 HE ARG 8 49.781 4.427 5.065 71 HH11 ARG 8 HH11 ARG 8 46.825 4.129 4.377 72 HH12 ARG 8 HH12 ARG 8 46.292 3.071 5.642 73 HH21 ARG 8 HH21 ARG 8 49.497 2.088 6.530 74 HH22 ARG 8 HH22 ARG 8 47.806 1.916 6.861 75 H ILE 9 HN ILE 9 48.432 7.180 0.155 76 HA ILE 9 HA ILE 9 47.159 9.361 1.560 77 HB ILE 9 HB ILE 9 49.150 10.620 0.824 78 HG12 ILE 9 HG12 ILE 9 48.040 12.409 -0.462 79 HG13 ILE 9 HG11 ILE 9 46.715 11.310 -0.899 80 HG21 ILE 9 HG21 ILE 9 48.354 9.994 -2.043 81 HG22 ILE 9 HG22 ILE 9 49.564 9.032 -1.158 82 HG23 ILE 9 HG23 ILE 9 49.844 10.765 -1.452 83 HD11 ILE 9 HD1 ILE 9 45.841 11.286 1.295 84 HD12 ILE 9 HD2 ILE 9 46.410 12.963 1.140 85 HD13 ILE 9 HD3 ILE 9 47.391 11.772 2.027 86 H GLY 10 HN GLY 10 45.098 9.331 0.968 87 HA2 GLY 10 HA1 GLY 10 43.897 9.525 -1.447 88 HA3 GLY 10 HA2 GLY 10 44.336 7.804 -1.450 89 H LYS 11 HN LYS 11 43.683 9.308 1.606 90 HA LYS 11 HA LYS 11 41.460 7.492 2.082 91 HB2 LYS 11 HB2 LYS 11 42.526 9.867 3.660 92 HB3 LYS 11 HB1 LYS 11 41.270 8.747 4.240 93 HG2 LYS 11 HG2 LYS 11 42.780 6.885 4.243 94 HG3 LYS 11 HG1 LYS 11 43.991 7.767 3.282 95 HD2 LYS 11 HD2 LYS 11 44.704 7.705 5.626 96 HD3 LYS 11 HD1 LYS 11 44.280 9.374 5.181 97 HE2 LYS 11 HE2 LYS 11 42.202 9.274 6.348 98 HE3 LYS 11 HE1 LYS 11 42.263 7.499 6.475 99 HZ1 LYS 11 HZ1 LYS 11 43.719 7.586 8.187 100 HZ2 LYS 11 HZ2 LYS 11 42.989 9.097 8.445 101 HZ3 LYS 11 HZ3 LYS 11 44.483 8.998 7.644 102 H ALA 12 HN ALA 12 41.563 10.165 0.170 103 HA ALA 12 HA ALA 12 39.949 11.656 -0.560 104 HB1 ALA 12 HB1 ALA 12 37.941 9.801 0.760 105 HB2 ALA 12 HB2 ALA 12 38.707 9.453 -0.808 106 HB3 ALA 12 HB3 ALA 12 37.680 10.894 -0.619 107 H GLY 13 HN GLY 13 41.240 12.091 1.948 108 HA2 GLY 13 HA1 GLY 13 39.903 12.686 4.217 109 HA3 GLY 13 HA2 GLY 13 41.048 13.840 3.504 110 H PHE 14 HN PHE 14 37.689 12.927 3.902 111 HA PHE 14 HA PHE 14 35.734 14.152 3.615 112 HB2 PHE 14 HB2 PHE 14 36.967 15.721 5.175 113 HB3 PHE 14 HB1 PHE 14 37.532 16.609 3.741 114 HD1 PHE 14 HD1 PHE 14 34.377 15.294 5.330 115 HD2 PHE 14 HD2 PHE 14 36.173 18.335 2.844 116 HE1 PHE 14 HE1 PHE 14 32.207 16.517 5.253 117 HE2 PHE 14 HE2 PHE 14 34.004 19.556 2.771 118 HZ PHE 14 HZ PHE 14 32.014 18.633 3.955 119 H ILE 15 HN ILE 15 36.451 13.065 1.393 120 HA ILE 15 HA ILE 15 36.757 13.260 -0.916 121 HB ILE 15 HB ILE 15 34.830 14.676 -1.949 122 HG12 ILE 15 HG12 ILE 15 34.034 14.821 1.001 123 HG13 ILE 15 HG11 ILE 15 34.618 16.203 0.049 124 HG21 ILE 15 HG21 ILE 15 34.056 12.586 0.134 125 HG22 ILE 15 HG22 ILE 15 34.764 12.192 -1.451 126 HG23 ILE 15 HG23 ILE 15 33.182 12.991 -1.360 127 HD11 ILE 15 HD1 ILE 15 32.278 16.427 -0.111 128 HD12 ILE 15 HD2 ILE 15 32.017 14.672 -0.218 129 HD13 ILE 15 HD3 ILE 15 32.675 15.561 -1.614 130 H ILE 16 HN ILE 16 38.864 14.253 -0.842 131 HA ILE 16 HA ILE 16 38.758 17.009 -2.038 132 HB ILE 16 HB ILE 16 39.398 17.215 0.382 133 HG12 ILE 16 HG12 ILE 16 41.582 18.429 -0.013 134 HG13 ILE 16 HG11 ILE 16 41.605 17.776 -1.663 135 HG21 ILE 16 HG21 ILE 16 40.539 14.879 0.356 136 HG22 ILE 16 HG22 ILE 16 41.316 16.174 1.294 137 HG23 ILE 16 HG23 ILE 16 41.958 15.730 -0.303 138 HD11 ILE 16 HD1 ILE 16 40.589 20.183 -1.218 139 HD12 ILE 16 HD2 ILE 16 39.152 19.281 -0.690 140 HD13 ILE 16 HD3 ILE 16 39.768 19.087 -2.349 141 H ILE 17 HN ILE 17 40.884 14.192 -1.294 142 HA ILE 17 HA ILE 17 42.410 14.745 -3.787 143 HB ILE 17 HB ILE 17 43.739 14.075 -1.849 144 HG12 ILE 17 HG12 ILE 17 44.928 12.141 -2.749 145 HG13 ILE 17 HG11 ILE 17 43.526 11.675 -3.733 146 HG21 ILE 17 HG21 ILE 17 42.005 11.569 -1.790 147 HG22 ILE 17 HG22 ILE 17 41.958 12.899 -0.606 148 HG23 ILE 17 HG23 ILE 17 43.413 11.886 -0.752 149 HD11 ILE 17 HD1 ILE 17 43.807 13.503 -5.216 150 HD12 ILE 17 HD2 ILE 17 45.478 13.002 -4.877 151 HD13 ILE 17 HD3 ILE 17 44.791 14.422 -4.052 152 H GLY 18 HN GLY 18 40.097 12.464 -2.381 153 HA2 GLY 18 HA1 GLY 18 40.125 10.755 -4.799 154 HA3 GLY 18 HA2 GLY 18 39.142 10.534 -3.335 155 H GLY 19 HN GLY 19 38.227 13.303 -3.275 156 HA2 GLY 19 HA1 GLY 19 35.928 12.977 -5.030 157 HA3 GLY 19 HA2 GLY 19 36.258 14.342 -3.944 158 H ALA 20 HN ALA 20 38.688 15.268 -4.843 159 HA ALA 20 HA ALA 20 37.965 16.941 -6.988 160 HB1 ALA 20 HB1 ALA 20 40.691 15.957 -6.085 161 HB2 ALA 20 HB2 ALA 20 39.868 17.466 -5.621 162 HB3 ALA 20 HB3 ALA 20 40.455 17.248 -7.287 163 H LEU 21 HN LEU 21 39.164 13.646 -6.997 164 HA LEU 21 HA LEU 21 39.535 12.156 -8.728 165 HB2 LEU 21 HB2 LEU 21 37.108 12.876 -9.138 166 HB3 LEU 21 HB1 LEU 21 37.746 13.959 -10.394 167 HG LEU 21 HG LEU 21 38.983 11.746 -11.255 168 HD11 LEU 21 HD11 LEU 21 36.593 10.642 -9.701 169 HD12 LEU 21 HD12 LEU 21 38.307 10.286 -9.389 170 HD13 LEU 21 HD13 LEU 21 37.543 9.729 -10.894 171 HD21 LEU 21 HD21 LEU 21 35.996 12.267 -11.610 172 HD22 LEU 21 HD22 LEU 21 36.982 11.230 -12.668 173 HD23 LEU 21 HD23 LEU 21 37.317 12.976 -12.570 174 H ASP 22 HN ASP 22 41.762 13.178 -8.654 175 HA ASP 22 HA ASP 22 43.615 14.009 -9.778 176 HB2 ASP 22 HB2 ASP 22 41.961 13.071 -12.154 177 HB3 ASP 22 HB1 ASP 22 43.683 13.516 -12.231 178 H HIS 23 HN HIS 23 41.896 16.014 -8.987 179 HA HIS 23 HA HIS 23 41.287 18.209 -9.444 180 HB2 HIS 23 HB2 HIS 23 43.558 18.095 -11.463 181 HB3 HIS 23 HB1 HIS 23 42.938 19.527 -10.605 182 HD1 HIS 23 HD1 HIS 23 42.651 18.014 -7.779 183 HD2 HIS 23 HD2 HIS 23 46.086 18.078 -10.205 184 HE1 HIS 23 HE1 HIS 23 44.664 17.591 -6.262 185 H LEU 24 HN LEU 24 39.552 16.583 -10.671 186 HA LEU 24 HA LEU 24 38.701 18.193 -12.927 187 HB2 LEU 24 HB2 LEU 24 40.317 16.932 -14.192 188 HB3 LEU 24 HB1 LEU 24 39.801 15.404 -13.445 189 HG LEU 24 HG LEU 24 37.671 15.467 -14.598 190 HD11 LEU 24 HD11 LEU 24 37.264 17.423 -16.254 191 HD12 LEU 24 HD12 LEU 24 38.517 18.296 -15.338 192 HD13 LEU 24 HD13 LEU 24 37.026 17.763 -14.525 193 HD21 LEU 24 HD21 LEU 24 38.415 15.404 -16.940 194 HD22 LEU 24 HD22 LEU 24 39.664 14.691 -15.891 195 HD23 LEU 24 HD23 LEU 24 39.870 16.341 -16.525 Start of MODEL 71 1 H1 GLY 1 HT1 GLY 1 61.700 2.343 -0.408 2 H2 GLY 1 HT2 GLY 1 60.158 2.799 -0.958 3 H3 GLY 1 HT3 GLY 1 61.069 1.655 -1.823 4 HA2 GLY 1 HA1 GLY 1 59.659 0.300 -0.751 5 HA3 GLY 1 HA2 GLY 1 61.032 0.359 0.371 6 H LYS 2 HN LYS 2 60.898 1.564 2.287 7 HA LYS 2 HA LYS 2 58.332 1.552 3.530 8 HB2 LYS 2 HB2 LYS 2 59.491 2.979 5.288 9 HB3 LYS 2 HB1 LYS 2 60.305 1.446 4.893 10 HG2 LYS 2 HG2 LYS 2 61.933 2.558 3.512 11 HG3 LYS 2 HG1 LYS 2 61.015 4.082 3.543 12 HD2 LYS 2 HD2 LYS 2 62.971 4.141 5.089 13 HD3 LYS 2 HD1 LYS 2 61.427 4.322 5.954 14 HE2 LYS 2 HE2 LYS 2 63.191 2.671 6.934 15 HE3 LYS 2 HE1 LYS 2 61.509 2.111 6.809 16 HZ1 LYS 2 HZ1 LYS 2 63.698 1.564 4.864 17 HZ2 LYS 2 HZ2 LYS 2 62.084 1.068 4.683 18 HZ3 LYS 2 HZ3 LYS 2 63.028 0.452 5.955 19 H GLY 3 HN GLY 3 57.728 3.769 4.798 20 HA2 GLY 3 HA1 GLY 3 57.740 6.325 3.990 21 HA3 GLY 3 HA2 GLY 3 56.849 5.618 2.564 22 H ARG 4 HN ARG 4 55.735 3.987 2.869 23 HA ARG 4 HA ARG 4 54.034 5.718 2.809 24 HB2 ARG 4 HB2 ARG 4 53.348 2.745 2.925 25 HB3 ARG 4 HB1 ARG 4 52.202 4.002 2.393 26 HG2 ARG 4 HG2 ARG 4 53.792 4.720 0.637 27 HG3 ARG 4 HG1 ARG 4 54.955 3.484 1.175 28 HD2 ARG 4 HD2 ARG 4 53.122 1.750 0.742 29 HD3 ARG 4 HD1 ARG 4 52.209 3.048 -0.065 30 HE ARG 4 HE ARG 4 53.669 2.812 -1.899 31 HH11 ARG 4 HH11 ARG 4 54.471 0.401 0.208 32 HH12 ARG 4 HH12 ARG 4 56.142 0.292 -0.234 33 HH21 ARG 4 HH21 ARG 4 56.100 3.182 -2.149 34 HH22 ARG 4 HH22 ARG 4 57.064 1.867 -1.567 35 H TRP 5 HN TRP 5 55.036 4.301 5.469 36 HA TRP 5 HA TRP 5 53.035 3.696 7.303 37 HB2 TRP 5 HB2 TRP 5 55.531 3.912 7.744 38 HB3 TRP 5 HB1 TRP 5 55.265 5.663 7.921 39 HD1 TRP 5 HD1 TRP 5 54.714 6.434 10.280 40 HE1 TRP 5 HE1 TRP 5 53.820 5.352 12.469 41 HE3 TRP 5 HE3 TRP 5 53.806 1.710 8.531 42 HZ2 TRP 5 HZ2 TRP 5 52.847 2.775 13.313 43 HZ3 TRP 5 HZ3 TRP 5 52.896 -0.044 10.045 44 HH2 TRP 5 HH2 TRP 5 52.415 0.482 12.431 45 H LEU 6 HN LEU 6 53.663 6.762 5.771 46 HA LEU 6 HA LEU 6 51.786 8.234 7.558 47 HB2 LEU 6 HB2 LEU 6 53.651 9.033 5.298 48 HB3 LEU 6 HB1 LEU 6 52.446 10.158 5.949 49 HG LEU 6 HG LEU 6 54.776 10.353 6.943 50 HD11 LEU 6 HD11 LEU 6 52.528 11.011 8.110 51 HD12 LEU 6 HD12 LEU 6 53.996 10.895 9.102 52 HD13 LEU 6 HD13 LEU 6 52.806 9.580 9.127 53 HD21 LEU 6 HD21 LEU 6 54.078 7.777 8.409 54 HD22 LEU 6 HD22 LEU 6 55.606 8.684 8.444 55 HD23 LEU 6 HD23 LEU 6 55.117 7.822 6.966 56 H GLU 7 HN GLU 7 52.021 6.816 4.295 57 HA GLU 7 HA GLU 7 49.479 8.140 3.476 58 HB2 GLU 7 HB2 GLU 7 51.500 7.669 1.943 59 HB3 GLU 7 HB1 GLU 7 50.993 5.968 1.983 60 HG2 GLU 7 HG2 GLU 7 48.813 6.535 1.048 61 HG3 GLU 7 HG1 GLU 7 49.179 8.275 1.148 62 H ARG 8 HN ARG 8 50.358 5.516 5.356 63 HA ARG 8 HA ARG 8 48.490 3.525 4.441 64 HB2 ARG 8 HB2 ARG 8 50.484 3.252 6.054 65 HB3 ARG 8 HB1 ARG 8 49.416 3.912 7.309 66 HG2 ARG 8 HG2 ARG 8 49.012 1.616 7.570 67 HG3 ARG 8 HG1 ARG 8 47.720 2.042 6.429 68 HD2 ARG 8 HD2 ARG 8 49.100 1.268 4.538 69 HD3 ARG 8 HD1 ARG 8 50.453 0.926 5.643 70 HE ARG 8 HE ARG 8 48.253 -0.835 5.147 71 HH11 ARG 8 HH11 ARG 8 47.184 -0.644 7.678 72 HH12 ARG 8 HH12 ARG 8 48.260 -1.484 8.745 73 HH21 ARG 8 HH21 ARG 8 50.927 -1.426 6.531 74 HH22 ARG 8 HH22 ARG 8 50.379 -1.927 8.095 75 H ILE 9 HN ILE 9 48.180 6.454 6.310 76 HA ILE 9 HA ILE 9 45.893 5.961 7.849 77 HB ILE 9 HB ILE 9 45.337 8.385 7.530 78 HG12 ILE 9 HG12 ILE 9 47.616 8.218 5.501 79 HG13 ILE 9 HG11 ILE 9 45.910 8.578 5.144 80 HG21 ILE 9 HG21 ILE 9 47.184 7.501 9.086 81 HG22 ILE 9 HG22 ILE 9 47.307 9.212 8.620 82 HG23 ILE 9 HG23 ILE 9 48.343 7.997 7.830 83 HD11 ILE 9 HD1 ILE 9 47.939 10.291 6.618 84 HD12 ILE 9 HD2 ILE 9 46.189 10.561 6.815 85 HD13 ILE 9 HD3 ILE 9 46.939 10.713 5.210 86 H GLY 10 HN GLY 10 46.178 6.406 4.357 87 HA2 GLY 10 HA1 GLY 10 44.611 6.152 2.677 88 HA3 GLY 10 HA2 GLY 10 43.700 5.134 3.811 89 H LYS 11 HN LYS 11 44.468 8.591 3.232 90 HA LYS 11 HA LYS 11 41.600 9.247 3.205 91 HB2 LYS 11 HB2 LYS 11 42.273 9.141 5.676 92 HB3 LYS 11 HB1 LYS 11 43.348 10.514 5.346 93 HG2 LYS 11 HG2 LYS 11 41.405 11.625 6.060 94 HG3 LYS 11 HG1 LYS 11 41.170 11.622 4.299 95 HD2 LYS 11 HD2 LYS 11 39.671 9.699 4.449 96 HD3 LYS 11 HD1 LYS 11 40.020 9.509 6.183 97 HE2 LYS 11 HE2 LYS 11 37.875 10.671 5.878 98 HE3 LYS 11 HE1 LYS 11 39.070 11.772 6.605 99 HZ1 LYS 11 HZ1 LYS 11 39.386 12.032 3.881 100 HZ2 LYS 11 HZ2 LYS 11 38.638 13.140 4.929 101 HZ3 LYS 11 HZ3 LYS 11 37.707 11.980 4.109 102 H ALA 12 HN ALA 12 42.248 9.874 1.072 103 HA ALA 12 HA ALA 12 44.240 12.009 0.765 104 HB1 ALA 12 HB1 ALA 12 42.250 10.715 -1.127 105 HB2 ALA 12 HB2 ALA 12 43.996 10.388 -1.004 106 HB3 ALA 12 HB3 ALA 12 43.424 11.959 -1.609 107 H GLY 13 HN GLY 13 42.845 13.206 2.535 108 HA2 GLY 13 HA1 GLY 13 41.373 14.933 3.029 109 HA3 GLY 13 HA2 GLY 13 41.843 15.552 1.432 110 H PHE 14 HN PHE 14 39.837 12.859 2.703 111 HA PHE 14 HA PHE 14 37.699 12.185 2.132 112 HB2 PHE 14 HB2 PHE 14 37.243 15.056 1.232 113 HB3 PHE 14 HB1 PHE 14 36.021 13.872 1.750 114 HD1 PHE 14 HD1 PHE 14 35.925 13.118 4.131 115 HD2 PHE 14 HD2 PHE 14 38.565 16.282 2.851 116 HE1 PHE 14 HE1 PHE 14 36.212 13.835 6.500 117 HE2 PHE 14 HE2 PHE 14 38.854 17.000 5.220 118 HZ PHE 14 HZ PHE 14 37.596 15.838 7.031 119 H ILE 15 HN ILE 15 39.789 11.844 0.200 120 HA ILE 15 HA ILE 15 40.027 11.250 -2.017 121 HB ILE 15 HB ILE 15 36.993 11.402 -2.244 122 HG12 ILE 15 HG12 ILE 15 38.757 9.181 -1.114 123 HG13 ILE 15 HG11 ILE 15 37.558 10.136 -0.211 124 HG21 ILE 15 HG21 ILE 15 37.275 9.752 -3.969 125 HG22 ILE 15 HG22 ILE 15 38.984 9.498 -3.538 126 HG23 ILE 15 HG23 ILE 15 38.470 11.025 -4.292 127 HD11 ILE 15 HD1 ILE 15 37.088 8.042 -2.358 128 HD12 ILE 15 HD2 ILE 15 35.844 9.263 -1.989 129 HD13 ILE 15 HD3 ILE 15 36.394 8.138 -0.724 130 H ILE 16 HN ILE 16 40.884 13.555 -2.026 131 HA ILE 16 HA ILE 16 39.464 15.016 -4.220 132 HB ILE 16 HB ILE 16 38.885 16.093 -1.988 133 HG12 ILE 16 HG12 ILE 16 39.648 18.438 -2.740 134 HG13 ILE 16 HG11 ILE 16 40.510 17.633 -4.067 135 HG21 ILE 16 HG21 ILE 16 41.786 16.998 -1.944 136 HG22 ILE 16 HG22 ILE 16 41.226 15.573 -1.033 137 HG23 ILE 16 HG23 ILE 16 40.546 17.178 -0.682 138 HD11 ILE 16 HD1 ILE 16 38.064 18.527 -4.475 139 HD12 ILE 16 HD2 ILE 16 37.559 17.058 -3.613 140 HD13 ILE 16 HD3 ILE 16 38.510 16.930 -5.111 141 H ILE 17 HN ILE 17 42.420 14.841 -2.171 142 HA ILE 17 HA ILE 17 44.033 15.997 -4.349 143 HB ILE 17 HB ILE 17 44.702 16.456 -2.018 144 HG12 ILE 17 HG12 ILE 17 47.060 15.825 -2.130 145 HG13 ILE 17 HG11 ILE 17 46.707 14.520 -3.280 146 HG21 ILE 17 HG21 ILE 17 45.361 14.716 -0.483 147 HG22 ILE 17 HG22 ILE 17 45.239 13.471 -1.750 148 HG23 ILE 17 HG23 ILE 17 43.770 14.261 -1.134 149 HD11 ILE 17 HD1 ILE 17 46.275 16.025 -5.051 150 HD12 ILE 17 HD2 ILE 17 47.616 16.817 -4.192 151 HD13 ILE 17 HD3 ILE 17 45.946 17.384 -3.948 152 H GLY 18 HN GLY 18 43.035 12.897 -3.129 153 HA2 GLY 18 HA1 GLY 18 45.049 11.403 -4.702 154 HA3 GLY 18 HA2 GLY 18 43.780 10.728 -3.658 155 H GLY 19 HN GLY 19 41.449 11.549 -4.509 156 HA2 GLY 19 HA1 GLY 19 41.054 10.116 -6.956 157 HA3 GLY 19 HA2 GLY 19 39.874 11.182 -6.172 158 H ALA 20 HN ALA 20 41.612 13.530 -6.238 159 HA ALA 20 HA ALA 20 41.910 15.348 -7.643 160 HB1 ALA 20 HB1 ALA 20 43.190 14.971 -9.646 161 HB2 ALA 20 HB2 ALA 20 42.680 13.267 -9.712 162 HB3 ALA 20 HB3 ALA 20 43.756 13.825 -8.409 163 H LEU 21 HN LEU 21 39.333 13.572 -7.789 164 HA LEU 21 HA LEU 21 38.301 13.926 -10.458 165 HB2 LEU 21 HB2 LEU 21 36.661 13.818 -7.901 166 HB3 LEU 21 HB1 LEU 21 36.176 13.317 -9.536 167 HG LEU 21 HG LEU 21 38.380 12.013 -7.874 168 HD11 LEU 21 HD11 LEU 21 36.060 11.637 -7.015 169 HD12 LEU 21 HD12 LEU 21 36.805 10.146 -7.641 170 HD13 LEU 21 HD13 LEU 21 35.594 11.015 -8.616 171 HD21 LEU 21 HD21 LEU 21 37.239 11.495 -10.653 172 HD22 LEU 21 HD22 LEU 21 38.056 10.212 -9.726 173 HD23 LEU 21 HD23 LEU 21 38.942 11.688 -10.172 174 H ASP 22 HN ASP 22 39.341 16.254 -8.436 175 HA ASP 22 HA ASP 22 37.144 18.114 -8.397 176 HB2 ASP 22 HB2 ASP 22 39.242 18.203 -6.972 177 HB3 ASP 22 HB1 ASP 22 40.110 18.784 -8.412 178 H HIS 23 HN HIS 23 39.459 17.167 -10.850 179 HA HIS 23 HA HIS 23 38.026 18.683 -12.863 180 HB2 HIS 23 HB2 HIS 23 39.335 20.519 -11.764 181 HB3 HIS 23 HB1 HIS 23 40.831 19.660 -12.203 182 HD1 HIS 23 HD1 HIS 23 37.615 20.367 -14.205 183 HD2 HIS 23 HD2 HIS 23 41.760 21.030 -14.417 184 HE1 HIS 23 HE1 HIS 23 38.100 21.440 -16.473 185 H LEU 24 HN LEU 24 40.232 16.358 -11.786 186 HA LEU 24 HA LEU 24 41.721 15.948 -14.226 187 HB2 LEU 24 HB2 LEU 24 42.415 15.078 -11.990 188 HB3 LEU 24 HB1 LEU 24 41.038 13.956 -12.025 189 HG LEU 24 HG LEU 24 41.954 12.931 -14.120 190 HD11 LEU 24 HD11 LEU 24 43.294 14.546 -15.196 191 HD12 LEU 24 HD12 LEU 24 44.526 13.513 -14.443 192 HD13 LEU 24 HD13 LEU 24 44.078 15.059 -13.682 193 HD21 LEU 24 HD21 LEU 24 42.463 12.001 -11.874 194 HD22 LEU 24 HD22 LEU 24 43.904 13.041 -11.774 195 HD23 LEU 24 HD23 LEU 24 43.817 11.754 -13.001 Start of MODEL 72 1 H1 GLY 1 HT1 GLY 1 56.002 -0.079 11.490 2 H2 GLY 1 HT2 GLY 1 54.530 -0.916 11.336 3 H3 GLY 1 HT3 GLY 1 54.672 0.676 10.757 4 HA2 GLY 1 HA1 GLY 1 56.593 -1.154 9.689 5 HA3 GLY 1 HA2 GLY 1 54.907 -1.526 9.283 6 H LYS 2 HN LYS 2 57.517 -0.148 8.040 7 HA LYS 2 HA LYS 2 56.633 2.459 7.215 8 HB2 LYS 2 HB2 LYS 2 58.378 2.232 5.457 9 HB3 LYS 2 HB1 LYS 2 58.981 1.772 7.068 10 HG2 LYS 2 HG2 LYS 2 58.430 -0.639 6.482 11 HG3 LYS 2 HG1 LYS 2 58.104 -0.089 4.821 12 HD2 LYS 2 HD2 LYS 2 60.400 0.808 4.652 13 HD3 LYS 2 HD1 LYS 2 60.732 0.292 6.324 14 HE2 LYS 2 HE2 LYS 2 61.593 -1.337 4.628 15 HE3 LYS 2 HE1 LYS 2 60.377 -2.054 5.712 16 HZ1 LYS 2 HZ1 LYS 2 59.427 -0.806 3.239 17 HZ2 LYS 2 HZ2 LYS 2 58.843 -2.172 4.062 18 HZ3 LYS 2 HZ3 LYS 2 60.237 -2.289 3.098 19 H GLY 3 HN GLY 3 56.471 2.915 4.723 20 HA2 GLY 3 HA1 GLY 3 55.487 1.579 2.646 21 HA3 GLY 3 HA2 GLY 3 54.074 1.305 3.769 22 H ARG 4 HN ARG 4 53.686 2.697 5.138 23 HA ARG 4 HA ARG 4 51.992 3.194 3.474 24 HB2 ARG 4 HB2 ARG 4 52.056 4.616 6.180 25 HB3 ARG 4 HB1 ARG 4 50.601 4.463 5.162 26 HG2 ARG 4 HG2 ARG 4 50.740 2.022 5.248 27 HG3 ARG 4 HG1 ARG 4 52.276 2.109 6.144 28 HD2 ARG 4 HD2 ARG 4 50.161 1.701 7.550 29 HD3 ARG 4 HD1 ARG 4 51.217 3.035 8.077 30 HE ARG 4 HE ARG 4 49.108 3.901 6.242 31 HH11 ARG 4 HH11 ARG 4 49.947 5.795 8.230 32 HH12 ARG 4 HH12 ARG 4 48.757 5.667 9.481 33 HH21 ARG 4 HH21 ARG 4 47.567 2.593 8.403 34 HH22 ARG 4 HH22 ARG 4 47.409 3.856 9.579 35 H TRP 5 HN TRP 5 54.618 4.930 3.916 36 HA TRP 5 HA TRP 5 54.256 7.678 3.783 37 HB2 TRP 5 HB2 TRP 5 56.454 6.546 3.578 38 HB3 TRP 5 HB1 TRP 5 56.052 6.090 1.905 39 HD1 TRP 5 HD1 TRP 5 55.670 8.147 0.157 40 HE1 TRP 5 HE1 TRP 5 56.750 10.510 0.049 41 HE3 TRP 5 HE3 TRP 5 57.423 8.450 4.958 42 HZ2 TRP 5 HZ2 TRP 5 58.178 12.266 1.828 43 HZ3 TRP 5 HZ3 TRP 5 58.642 10.480 5.730 44 HH2 TRP 5 HH2 TRP 5 59.020 12.387 4.172 45 H LEU 6 HN LEU 6 53.069 5.346 1.528 46 HA LEU 6 HA LEU 6 52.287 7.522 -0.402 47 HB2 LEU 6 HB2 LEU 6 53.703 5.821 -1.434 48 HB3 LEU 6 HB1 LEU 6 52.671 4.524 -0.797 49 HG LEU 6 HG LEU 6 50.790 5.280 -2.192 50 HD11 LEU 6 HD11 LEU 6 50.977 7.642 -2.337 51 HD12 LEU 6 HD12 LEU 6 51.406 7.106 -3.976 52 HD13 LEU 6 HD13 LEU 6 52.686 7.573 -2.830 53 HD21 LEU 6 HD21 LEU 6 53.330 5.196 -3.873 54 HD22 LEU 6 HD22 LEU 6 51.698 4.671 -4.351 55 HD23 LEU 6 HD23 LEU 6 52.601 3.761 -3.115 56 H GLU 7 HN GLU 7 51.191 5.057 1.857 57 HA GLU 7 HA GLU 7 48.380 5.295 0.815 58 HB2 GLU 7 HB2 GLU 7 49.521 3.442 2.943 59 HB3 GLU 7 HB1 GLU 7 47.907 3.356 2.198 60 HG2 GLU 7 HG2 GLU 7 49.013 3.029 -0.037 61 HG3 GLU 7 HG1 GLU 7 50.588 2.976 0.792 62 H ARG 8 HN ARG 8 50.205 7.170 2.608 63 HA ARG 8 HA ARG 8 48.739 7.264 5.128 64 HB2 ARG 8 HB2 ARG 8 51.105 8.044 4.832 65 HB3 ARG 8 HB1 ARG 8 50.492 9.399 3.856 66 HG2 ARG 8 HG2 ARG 8 49.174 10.229 5.733 67 HG3 ARG 8 HG1 ARG 8 49.608 8.808 6.713 68 HD2 ARG 8 HD2 ARG 8 52.041 9.492 6.466 69 HD3 ARG 8 HD1 ARG 8 51.472 11.001 5.714 70 HE ARG 8 HE ARG 8 50.079 10.786 8.148 71 HH11 ARG 8 HH11 ARG 8 52.294 12.784 7.128 72 HH12 ARG 8 HH12 ARG 8 53.346 12.760 8.504 73 HH21 ARG 8 HH21 ARG 8 51.886 9.945 9.904 74 HH22 ARG 8 HH22 ARG 8 53.116 11.152 10.075 75 H ILE 9 HN ILE 9 49.127 9.907 2.741 76 HA ILE 9 HA ILE 9 46.561 11.049 3.529 77 HB ILE 9 HB ILE 9 48.536 12.417 2.771 78 HG12 ILE 9 HG12 ILE 9 46.024 12.704 1.057 79 HG13 ILE 9 HG11 ILE 9 46.189 13.285 2.729 80 HG21 ILE 9 HG21 ILE 9 47.779 11.515 -0.037 81 HG22 ILE 9 HG22 ILE 9 49.101 10.759 0.885 82 HG23 ILE 9 HG23 ILE 9 49.182 12.486 0.467 83 HD11 ILE 9 HD1 ILE 9 46.658 15.195 1.393 84 HD12 ILE 9 HD2 ILE 9 47.635 14.257 0.241 85 HD13 ILE 9 HD3 ILE 9 48.263 14.597 1.872 86 H GLY 10 HN GLY 10 47.687 8.834 1.070 87 HA2 GLY 10 HA1 GLY 10 45.772 9.169 -0.945 88 HA3 GLY 10 HA2 GLY 10 46.500 7.615 -0.497 89 H LYS 11 HN LYS 11 45.154 8.469 2.300 90 HA LYS 11 HA LYS 11 42.855 6.707 1.900 91 HB2 LYS 11 HB2 LYS 11 43.585 8.442 4.291 92 HB3 LYS 11 HB1 LYS 11 42.437 7.084 4.273 93 HG2 LYS 11 HG2 LYS 11 44.215 5.496 3.757 94 HG3 LYS 11 HG1 LYS 11 45.386 6.814 3.538 95 HD2 LYS 11 HD2 LYS 11 45.874 6.070 5.723 96 HD3 LYS 11 HD1 LYS 11 44.792 7.444 6.030 97 HE2 LYS 11 HE2 LYS 11 44.149 5.495 7.405 98 HE3 LYS 11 HE1 LYS 11 42.871 5.867 6.228 99 HZ1 LYS 11 HZ1 LYS 11 44.030 3.445 6.570 100 HZ2 LYS 11 HZ2 LYS 11 44.880 4.055 5.231 101 HZ3 LYS 11 HZ3 LYS 11 43.186 3.934 5.182 102 H ALA 12 HN ALA 12 43.017 9.434 0.468 103 HA ALA 12 HA ALA 12 41.532 11.130 -0.047 104 HB1 ALA 12 HB1 ALA 12 40.046 9.038 -0.233 105 HB2 ALA 12 HB2 ALA 12 39.218 10.597 -0.019 106 HB3 ALA 12 HB3 ALA 12 39.403 9.490 1.363 107 H GLY 13 HN GLY 13 43.079 11.363 2.282 108 HA2 GLY 13 HA1 GLY 13 42.078 11.939 4.719 109 HA3 GLY 13 HA2 GLY 13 43.209 13.042 3.913 110 H PHE 14 HN PHE 14 39.869 12.356 4.708 111 HA PHE 14 HA PHE 14 38.042 13.764 4.907 112 HB2 PHE 14 HB2 PHE 14 39.805 15.325 5.962 113 HB3 PHE 14 HB1 PHE 14 39.870 16.144 4.385 114 HD1 PHE 14 HD1 PHE 14 37.537 15.115 7.138 115 HD2 PHE 14 HD2 PHE 14 38.181 17.708 3.746 116 HE1 PHE 14 HE1 PHE 14 35.477 16.391 7.721 117 HE2 PHE 14 HE2 PHE 14 36.124 18.984 4.331 118 HZ PHE 14 HZ PHE 14 34.733 18.281 6.276 119 H ILE 15 HN ILE 15 38.231 12.501 2.629 120 HA ILE 15 HA ILE 15 37.951 12.555 0.330 121 HB ILE 15 HB ILE 15 35.883 13.982 -0.324 122 HG12 ILE 15 HG12 ILE 15 35.811 14.394 2.703 123 HG13 ILE 15 HG11 ILE 15 36.187 15.668 1.522 124 HG21 ILE 15 HG21 ILE 15 35.862 11.548 0.395 125 HG22 ILE 15 HG22 ILE 15 34.367 12.434 0.757 126 HG23 ILE 15 HG23 ILE 15 35.541 12.106 2.053 127 HD11 ILE 15 HD1 ILE 15 33.888 14.982 0.427 128 HD12 ILE 15 HD2 ILE 15 33.883 15.982 1.897 129 HD13 ILE 15 HD3 ILE 15 33.560 14.239 2.012 130 H ILE 16 HN ILE 16 39.981 13.344 -0.247 131 HA ILE 16 HA ILE 16 39.796 16.063 -1.533 132 HB ILE 16 HB ILE 16 42.306 14.955 -0.211 133 HG12 ILE 16 HG12 ILE 16 40.393 15.641 1.403 134 HG13 ILE 16 HG11 ILE 16 41.986 16.365 1.664 135 HG21 ILE 16 HG21 ILE 16 42.831 16.439 -2.033 136 HG22 ILE 16 HG22 ILE 16 43.049 17.374 -0.536 137 HG23 ILE 16 HG23 ILE 16 41.590 17.607 -1.529 138 HD11 ILE 16 HD1 ILE 16 39.789 17.738 0.053 139 HD12 ILE 16 HD2 ILE 16 41.297 18.451 0.670 140 HD13 ILE 16 HD3 ILE 16 40.011 17.974 1.800 141 H ILE 17 HN ILE 17 41.946 13.181 -1.246 142 HA ILE 17 HA ILE 17 42.754 13.375 -4.033 143 HB ILE 17 HB ILE 17 43.005 11.167 -1.936 144 HG12 ILE 17 HG12 ILE 17 45.403 11.730 -2.091 145 HG13 ILE 17 HG11 ILE 17 45.057 12.920 -3.367 146 HG21 ILE 17 HG21 ILE 17 42.867 9.937 -3.992 147 HG22 ILE 17 HG22 ILE 17 44.608 10.114 -3.668 148 HG23 ILE 17 HG23 ILE 17 43.815 11.158 -4.873 149 HD11 ILE 17 HD1 ILE 17 45.323 13.791 -0.927 150 HD12 ILE 17 HD2 ILE 17 43.706 13.101 -0.652 151 HD13 ILE 17 HD3 ILE 17 43.939 14.377 -1.872 152 H GLY 18 HN GLY 18 40.659 11.091 -2.219 153 HA2 GLY 18 HA1 GLY 18 39.611 9.904 -4.658 154 HA3 GLY 18 HA2 GLY 18 39.014 9.649 -3.004 155 H GLY 19 HN GLY 19 38.586 12.405 -2.358 156 HA2 GLY 19 HA1 GLY 19 35.920 12.709 -3.339 157 HA3 GLY 19 HA2 GLY 19 36.861 13.936 -2.469 158 H ALA 20 HN ALA 20 38.924 14.537 -4.096 159 HA ALA 20 HA ALA 20 37.787 16.319 -5.967 160 HB1 ALA 20 HB1 ALA 20 40.071 16.558 -5.180 161 HB2 ALA 20 HB2 ALA 20 40.077 16.416 -6.955 162 HB3 ALA 20 HB3 ALA 20 40.533 15.021 -5.948 163 H LEU 21 HN LEU 21 39.705 13.419 -6.870 164 HA LEU 21 HA LEU 21 39.589 12.114 -8.786 165 HB2 LEU 21 HB2 LEU 21 37.520 11.432 -7.453 166 HB3 LEU 21 HB1 LEU 21 36.588 12.501 -8.521 167 HG LEU 21 HG LEU 21 37.744 11.146 -10.480 168 HD11 LEU 21 HD11 LEU 21 38.075 9.259 -8.100 169 HD12 LEU 21 HD12 LEU 21 39.348 9.846 -9.196 170 HD13 LEU 21 HD13 LEU 21 38.105 8.728 -9.795 171 HD21 LEU 21 HD21 LEU 21 35.916 9.470 -10.401 172 HD22 LEU 21 HD22 LEU 21 35.324 11.090 -9.961 173 HD23 LEU 21 HD23 LEU 21 35.619 9.874 -8.694 174 H ASP 22 HN ASP 22 40.521 13.394 -10.350 175 HA ASP 22 HA ASP 22 38.756 14.243 -12.490 176 HB2 ASP 22 HB2 ASP 22 38.503 16.169 -10.902 177 HB3 ASP 22 HB1 ASP 22 40.256 16.449 -11.024 178 H HIS 23 HN HIS 23 41.919 14.173 -10.934 179 HA HIS 23 HA HIS 23 43.196 13.268 -13.360 180 HB2 HIS 23 HB2 HIS 23 42.960 15.663 -13.970 181 HB3 HIS 23 HB1 HIS 23 43.843 16.114 -12.493 182 HD1 HIS 23 HD1 HIS 23 44.465 13.519 -15.279 183 HD2 HIS 23 HD2 HIS 23 46.492 16.502 -13.119 184 HE1 HIS 23 HE1 HIS 23 46.865 13.592 -16.151 185 H LEU 24 HN LEU 24 43.109 14.192 -10.055 186 HA LEU 24 HA LEU 24 45.913 13.851 -9.434 187 HB2 LEU 24 HB2 LEU 24 43.349 13.762 -7.808 188 HB3 LEU 24 HB1 LEU 24 44.929 13.423 -7.065 189 HG LEU 24 HG LEU 24 45.769 15.622 -7.754 190 HD11 LEU 24 HD11 LEU 24 43.073 15.796 -9.155 191 HD12 LEU 24 HD12 LEU 24 44.698 16.058 -9.834 192 HD13 LEU 24 HD13 LEU 24 43.996 17.256 -8.724 193 HD21 LEU 24 HD21 LEU 24 44.276 17.035 -6.362 194 HD22 LEU 24 HD22 LEU 24 44.532 15.440 -5.613 195 HD23 LEU 24 HD23 LEU 24 43.007 15.791 -6.462 Start of MODEL 73 1 H1 GLY 1 HT1 GLY 1 61.056 4.678 -1.710 2 H2 GLY 1 HT2 GLY 1 59.416 5.127 -1.703 3 H3 GLY 1 HT3 GLY 1 59.853 3.484 -1.658 4 HA2 GLY 1 HA1 GLY 1 61.005 3.945 0.468 5 HA3 GLY 1 HA2 GLY 1 60.200 5.526 0.427 6 H LYS 2 HN LYS 2 59.919 2.166 1.125 7 HA LYS 2 HA LYS 2 57.088 1.850 1.050 8 HB2 LYS 2 HB2 LYS 2 57.512 0.073 2.806 9 HB3 LYS 2 HB1 LYS 2 58.503 -0.078 1.335 10 HG2 LYS 2 HG2 LYS 2 60.401 0.989 2.449 11 HG3 LYS 2 HG1 LYS 2 59.417 1.297 3.901 12 HD2 LYS 2 HD2 LYS 2 59.162 -1.098 4.297 13 HD3 LYS 2 HD1 LYS 2 59.999 -1.476 2.772 14 HE2 LYS 2 HE2 LYS 2 61.569 -1.715 4.638 15 HE3 LYS 2 HE1 LYS 2 62.039 -0.314 3.647 16 HZ1 LYS 2 HZ1 LYS 2 60.163 0.315 5.746 17 HZ2 LYS 2 HZ2 LYS 2 61.614 1.088 5.315 18 HZ3 LYS 2 HZ3 LYS 2 61.642 -0.277 6.327 19 H GLY 3 HN GLY 3 55.937 1.282 3.294 20 HA2 GLY 3 HA1 GLY 3 55.602 2.117 5.626 21 HA3 GLY 3 HA2 GLY 3 56.277 3.734 5.123 22 H ARG 4 HN ARG 4 55.830 4.454 3.343 23 HA ARG 4 HA ARG 4 54.283 5.700 4.729 24 HB2 ARG 4 HB2 ARG 4 54.607 6.295 1.749 25 HB3 ARG 4 HB1 ARG 4 53.969 7.457 2.937 26 HG2 ARG 4 HG2 ARG 4 56.039 7.362 4.225 27 HG3 ARG 4 HG1 ARG 4 56.675 6.071 3.177 28 HD2 ARG 4 HD2 ARG 4 57.476 8.492 2.702 29 HD3 ARG 4 HD1 ARG 4 56.900 7.535 1.316 30 HE ARG 4 HE ARG 4 54.756 9.079 2.531 31 HH11 ARG 4 HH11 ARG 4 55.003 8.645 -0.399 32 HH12 ARG 4 HH12 ARG 4 55.505 10.202 -0.969 33 HH21 ARG 4 HH21 ARG 4 56.477 11.329 2.163 34 HH22 ARG 4 HH22 ARG 4 56.339 11.720 0.482 35 H TRP 5 HN TRP 5 53.439 3.279 2.840 36 HA TRP 5 HA TRP 5 51.029 3.636 1.497 37 HB2 TRP 5 HB2 TRP 5 51.619 1.390 3.464 38 HB3 TRP 5 HB1 TRP 5 50.426 1.337 2.144 39 HD1 TRP 5 HD1 TRP 5 53.893 0.444 2.867 40 HE1 TRP 5 HE1 TRP 5 55.267 0.019 0.700 41 HE3 TRP 5 HE3 TRP 5 50.669 2.485 -0.549 42 HZ2 TRP 5 HZ2 TRP 5 54.977 0.512 -2.120 43 HZ3 TRP 5 HZ3 TRP 5 51.240 2.497 -2.973 44 HH2 TRP 5 HH2 TRP 5 53.388 1.513 -3.761 45 H LEU 6 HN LEU 6 51.619 4.162 4.855 46 HA LEU 6 HA LEU 6 48.663 4.387 5.406 47 HB2 LEU 6 HB2 LEU 6 50.876 4.162 7.475 48 HB3 LEU 6 HB1 LEU 6 49.127 3.930 7.696 49 HG LEU 6 HG LEU 6 50.960 2.154 6.020 50 HD11 LEU 6 HD11 LEU 6 51.325 1.910 8.446 51 HD12 LEU 6 HD12 LEU 6 50.492 0.477 7.797 52 HD13 LEU 6 HD13 LEU 6 49.575 1.705 8.701 53 HD21 LEU 6 HD21 LEU 6 48.840 0.664 6.096 54 HD22 LEU 6 HD22 LEU 6 48.789 2.074 5.016 55 HD23 LEU 6 HD23 LEU 6 47.967 2.132 6.594 56 H GLU 7 HN GLU 7 51.704 6.114 5.102 57 HA GLU 7 HA GLU 7 51.346 8.248 6.882 58 HB2 GLU 7 HB2 GLU 7 53.260 7.838 5.221 59 HB3 GLU 7 HB1 GLU 7 52.236 8.635 4.003 60 HG2 GLU 7 HG2 GLU 7 52.089 10.651 5.434 61 HG3 GLU 7 HG1 GLU 7 53.102 9.855 6.664 62 H ARG 8 HN ARG 8 49.403 7.366 4.159 63 HA ARG 8 HA ARG 8 48.323 9.876 3.405 64 HB2 ARG 8 HB2 ARG 8 46.717 7.303 3.592 65 HB3 ARG 8 HB1 ARG 8 46.506 8.651 2.451 66 HG2 ARG 8 HG2 ARG 8 48.851 6.704 2.573 67 HG3 ARG 8 HG1 ARG 8 47.627 6.824 1.291 68 HD2 ARG 8 HD2 ARG 8 48.431 9.286 1.022 69 HD3 ARG 8 HD1 ARG 8 49.850 8.778 1.972 70 HE ARG 8 HE ARG 8 49.382 6.935 -0.201 71 HH11 ARG 8 HH11 ARG 8 51.757 8.791 0.964 72 HH12 ARG 8 HH12 ARG 8 52.299 9.457 -0.540 73 HH21 ARG 8 HH21 ARG 8 49.542 8.350 -2.328 74 HH22 ARG 8 HH22 ARG 8 51.046 9.207 -2.405 75 H ILE 9 HN ILE 9 46.598 11.112 4.075 76 HA ILE 9 HA ILE 9 46.081 11.107 6.917 77 HB ILE 9 HB ILE 9 46.016 13.167 5.509 78 HG12 ILE 9 HG12 ILE 9 43.322 12.553 6.818 79 HG13 ILE 9 HG11 ILE 9 44.796 12.967 7.719 80 HG21 ILE 9 HG21 ILE 9 43.336 12.131 4.497 81 HG22 ILE 9 HG22 ILE 9 44.847 11.957 3.572 82 HG23 ILE 9 HG23 ILE 9 44.226 13.577 3.963 83 HD11 ILE 9 HD1 ILE 9 43.228 14.705 5.780 84 HD12 ILE 9 HD2 ILE 9 44.898 15.098 6.258 85 HD13 ILE 9 HD3 ILE 9 43.613 15.024 7.486 86 H GLY 10 HN GLY 10 44.312 9.949 4.061 87 HA2 GLY 10 HA1 GLY 10 42.656 8.304 3.995 88 HA3 GLY 10 HA2 GLY 10 42.695 8.195 5.765 89 H LYS 11 HN LYS 11 42.298 11.083 6.152 90 HA LYS 11 HA LYS 11 39.374 11.041 6.026 91 HB2 LYS 11 HB2 LYS 11 40.976 12.092 7.833 92 HB3 LYS 11 HB1 LYS 11 41.028 13.490 6.733 93 HG2 LYS 11 HG2 LYS 11 38.442 13.384 6.746 94 HG3 LYS 11 HG1 LYS 11 38.606 12.275 8.125 95 HD2 LYS 11 HD2 LYS 11 39.797 15.083 7.991 96 HD3 LYS 11 HD1 LYS 11 38.293 14.656 8.838 97 HE2 LYS 11 HE2 LYS 11 39.915 14.594 10.559 98 HE3 LYS 11 HE1 LYS 11 39.774 12.883 10.090 99 HZ1 LYS 11 HZ1 LYS 11 41.877 12.873 9.420 100 HZ2 LYS 11 HZ2 LYS 11 42.062 14.415 10.111 101 HZ3 LYS 11 HZ3 LYS 11 41.672 14.259 8.465 102 H ALA 12 HN ALA 12 41.033 11.088 3.475 103 HA ALA 12 HA ALA 12 41.033 12.199 1.438 104 HB1 ALA 12 HB1 ALA 12 38.853 12.997 0.697 105 HB2 ALA 12 HB2 ALA 12 38.280 13.066 2.382 106 HB3 ALA 12 HB3 ALA 12 38.658 11.496 1.633 107 H GLY 13 HN GLY 13 42.695 13.596 2.652 108 HA2 GLY 13 HA1 GLY 13 42.320 16.064 3.762 109 HA3 GLY 13 HA2 GLY 13 43.626 15.733 2.610 110 H PHE 14 HN PHE 14 40.366 16.993 3.037 111 HA PHE 14 HA PHE 14 39.174 18.542 1.805 112 HB2 PHE 14 HB2 PHE 14 41.715 19.157 0.259 113 HB3 PHE 14 HB1 PHE 14 40.340 20.232 0.607 114 HD1 PHE 14 HD1 PHE 14 39.899 20.975 2.978 115 HD2 PHE 14 HD2 PHE 14 43.491 18.859 1.859 116 HE1 PHE 14 HE1 PHE 14 40.993 21.715 5.090 117 HE2 PHE 14 HE2 PHE 14 44.585 19.600 3.971 118 HZ PHE 14 HZ PHE 14 43.354 21.074 5.559 119 H ILE 15 HN ILE 15 38.721 16.050 0.996 120 HA ILE 15 HA ILE 15 37.888 14.837 -0.774 121 HB ILE 15 HB ILE 15 38.140 17.346 -2.479 122 HG12 ILE 15 HG12 ILE 15 35.981 16.556 -0.468 123 HG13 ILE 15 HG11 ILE 15 37.062 17.963 -0.357 124 HG21 ILE 15 HG21 ILE 15 37.496 15.100 -3.504 125 HG22 ILE 15 HG22 ILE 15 36.309 16.403 -3.719 126 HG23 ILE 15 HG23 ILE 15 36.038 15.145 -2.487 127 HD11 ILE 15 HD1 ILE 15 35.066 18.880 -1.236 128 HD12 ILE 15 HD2 ILE 15 34.773 17.477 -2.289 129 HD13 ILE 15 HD3 ILE 15 36.068 18.635 -2.687 130 H ILE 16 HN ILE 16 39.961 13.691 -0.658 131 HA ILE 16 HA ILE 16 41.381 13.903 -3.299 132 HB ILE 16 HB ILE 16 42.701 13.491 -0.576 133 HG12 ILE 16 HG12 ILE 16 42.062 15.899 -1.369 134 HG13 ILE 16 HG11 ILE 16 43.721 15.611 -0.821 135 HG21 ILE 16 HG21 ILE 16 44.832 13.500 -1.987 136 HG22 ILE 16 HG22 ILE 16 43.784 13.301 -3.414 137 HG23 ILE 16 HG23 ILE 16 43.809 12.058 -2.146 138 HD11 ILE 16 HD1 ILE 16 43.478 16.974 -2.972 139 HD12 ILE 16 HD2 ILE 16 42.924 15.486 -3.765 140 HD13 ILE 16 HD3 ILE 16 44.559 15.570 -3.075 141 H ILE 17 HN ILE 17 41.399 11.907 -0.304 142 HA ILE 17 HA ILE 17 41.527 9.447 -1.918 143 HB ILE 17 HB ILE 17 41.057 9.852 1.073 144 HG12 ILE 17 HG12 ILE 17 43.250 10.707 0.420 145 HG13 ILE 17 HG11 ILE 17 43.462 9.172 1.284 146 HG21 ILE 17 HG21 ILE 17 42.017 7.340 0.952 147 HG22 ILE 17 HG22 ILE 17 41.296 7.393 -0.675 148 HG23 ILE 17 HG23 ILE 17 40.284 7.679 0.756 149 HD11 ILE 17 HD1 ILE 17 43.446 8.107 -1.135 150 HD12 ILE 17 HD2 ILE 17 44.911 8.925 -0.560 151 HD13 ILE 17 HD3 ILE 17 43.808 9.761 -1.672 152 H GLY 18 HN GLY 18 39.146 11.391 -0.202 153 HA2 GLY 18 HA1 GLY 18 37.028 9.428 -0.314 154 HA3 GLY 18 HA2 GLY 18 36.840 11.178 -0.060 155 H GLY 19 HN GLY 19 37.766 12.365 -2.249 156 HA2 GLY 19 HA1 GLY 19 35.723 11.713 -4.221 157 HA3 GLY 19 HA2 GLY 19 36.961 12.976 -4.348 158 H ALA 20 HN ALA 20 39.320 11.576 -4.159 159 HA ALA 20 HA ALA 20 40.785 10.519 -5.627 160 HB1 ALA 20 HB1 ALA 20 38.539 8.476 -5.553 161 HB2 ALA 20 HB2 ALA 20 39.917 8.583 -4.431 162 HB3 ALA 20 HB3 ALA 20 40.189 8.163 -6.140 163 H LEU 21 HN LEU 21 38.727 12.341 -6.815 164 HA LEU 21 HA LEU 21 37.798 11.240 -9.288 165 HB2 LEU 21 HB2 LEU 21 36.847 13.294 -8.461 166 HB3 LEU 21 HB1 LEU 21 38.436 14.084 -8.414 167 HG LEU 21 HG LEU 21 38.580 14.115 -10.834 168 HD11 LEU 21 HD11 LEU 21 36.134 12.310 -10.681 169 HD12 LEU 21 HD12 LEU 21 37.680 12.010 -11.510 170 HD13 LEU 21 HD13 LEU 21 36.542 13.210 -12.162 171 HD21 LEU 21 HD21 LEU 21 36.718 15.567 -11.368 172 HD22 LEU 21 HD22 LEU 21 37.118 15.823 -9.652 173 HD23 LEU 21 HD23 LEU 21 35.710 14.830 -10.100 174 H ASP 22 HN ASP 22 39.326 10.085 -10.408 175 HA ASP 22 HA ASP 22 41.164 9.738 -11.781 176 HB2 ASP 22 HB2 ASP 22 41.022 12.749 -12.199 177 HB3 ASP 22 HB1 ASP 22 41.789 11.558 -13.276 178 H HIS 23 HN HIS 23 41.806 9.835 -9.120 179 HA HIS 23 HA HIS 23 43.499 10.363 -7.600 180 HB2 HIS 23 HB2 HIS 23 45.754 9.907 -8.485 181 HB3 HIS 23 HB1 HIS 23 44.573 8.724 -9.094 182 HD1 HIS 23 HD1 HIS 23 43.817 8.922 -11.602 183 HD2 HIS 23 HD2 HIS 23 46.929 11.513 -10.471 184 HE1 HIS 23 HE1 HIS 23 44.810 9.901 -13.743 185 H LEU 24 HN LEU 24 42.296 12.689 -8.103 186 HA LEU 24 HA LEU 24 44.464 14.589 -7.743 187 HB2 LEU 24 HB2 LEU 24 44.180 14.178 -10.340 188 HB3 LEU 24 HB1 LEU 24 42.737 15.199 -10.165 189 HG LEU 24 HG LEU 24 45.595 15.951 -9.388 190 HD11 LEU 24 HD11 LEU 24 43.762 17.125 -11.520 191 HD12 LEU 24 HD12 LEU 24 44.998 15.890 -11.854 192 HD13 LEU 24 HD13 LEU 24 45.481 17.493 -11.251 193 HD21 LEU 24 HD21 LEU 24 42.915 17.352 -9.029 194 HD22 LEU 24 HD22 LEU 24 44.435 18.273 -9.129 195 HD23 LEU 24 HD23 LEU 24 44.202 17.087 -7.827 Start of MODEL 74 1 H1 GLY 1 HT1 GLY 1 57.398 -2.174 2.465 2 H2 GLY 1 HT2 GLY 1 56.402 -1.484 3.656 3 H3 GLY 1 HT3 GLY 1 57.631 -2.573 4.096 4 HA2 GLY 1 HA1 GLY 1 58.704 -0.713 4.588 5 HA3 GLY 1 HA2 GLY 1 59.109 -0.837 2.866 6 H LYS 2 HN LYS 2 57.380 0.146 1.364 7 HA LYS 2 HA LYS 2 57.035 2.937 2.248 8 HB2 LYS 2 HB2 LYS 2 56.028 1.752 -0.360 9 HB3 LYS 2 HB1 LYS 2 56.567 3.415 -0.021 10 HG2 LYS 2 HG2 LYS 2 58.314 0.914 -0.106 11 HG3 LYS 2 HG1 LYS 2 58.301 2.245 -1.287 12 HD2 LYS 2 HD2 LYS 2 58.900 3.799 0.677 13 HD3 LYS 2 HD1 LYS 2 59.227 2.320 1.612 14 HE2 LYS 2 HE2 LYS 2 61.325 3.045 0.647 15 HE3 LYS 2 HE1 LYS 2 60.798 1.598 -0.244 16 HZ1 LYS 2 HZ1 LYS 2 59.624 3.714 -1.546 17 HZ2 LYS 2 HZ2 LYS 2 60.977 2.828 -2.068 18 HZ3 LYS 2 HZ3 LYS 2 61.187 4.265 -1.187 19 H GLY 3 HN GLY 3 55.507 1.131 3.810 20 HA2 GLY 3 HA1 GLY 3 52.843 0.617 3.157 21 HA3 GLY 3 HA2 GLY 3 53.288 1.342 4.769 22 H ARG 4 HN ARG 4 54.177 3.102 4.821 23 HA ARG 4 HA ARG 4 51.892 3.738 5.333 24 HB2 ARG 4 HB2 ARG 4 54.169 5.777 5.462 25 HB3 ARG 4 HB1 ARG 4 52.638 5.908 6.366 26 HG2 ARG 4 HG2 ARG 4 53.133 3.596 7.327 27 HG3 ARG 4 HG1 ARG 4 54.752 3.723 6.599 28 HD2 ARG 4 HD2 ARG 4 55.076 5.888 7.849 29 HD3 ARG 4 HD1 ARG 4 53.524 5.593 8.669 30 HE ARG 4 HE ARG 4 55.303 3.317 8.931 31 HH11 ARG 4 HH11 ARG 4 56.589 3.165 10.808 32 HH12 ARG 4 HH12 ARG 4 56.412 4.366 12.043 33 HH21 ARG 4 HH21 ARG 4 54.214 6.317 10.203 34 HH22 ARG 4 HH22 ARG 4 55.068 6.150 11.700 35 H TRP 5 HN TRP 5 53.296 4.236 2.521 36 HA TRP 5 HA TRP 5 52.732 6.694 1.355 37 HB2 TRP 5 HB2 TRP 5 53.692 4.785 0.123 38 HB3 TRP 5 HB1 TRP 5 52.107 3.973 0.141 39 HD1 TRP 5 HD1 TRP 5 53.190 7.598 -0.779 40 HE1 TRP 5 HE1 TRP 5 52.137 8.228 -3.071 41 HE3 TRP 5 HE3 TRP 5 50.793 3.191 -1.805 42 HZ2 TRP 5 HZ2 TRP 5 50.483 6.964 -5.059 43 HZ3 TRP 5 HZ3 TRP 5 49.484 2.925 -3.907 44 HH2 TRP 5 HH2 TRP 5 49.327 4.806 -5.533 45 H LEU 6 HN LEU 6 50.464 4.477 2.706 46 HA LEU 6 HA LEU 6 48.142 5.968 1.499 47 HB2 LEU 6 HB2 LEU 6 48.036 3.332 3.010 48 HB3 LEU 6 HB1 LEU 6 46.809 4.044 1.936 49 HG LEU 6 HG LEU 6 49.569 3.056 1.079 50 HD11 LEU 6 HD11 LEU 6 46.782 1.935 0.548 51 HD12 LEU 6 HD12 LEU 6 47.953 1.258 1.706 52 HD13 LEU 6 HD13 LEU 6 48.321 1.258 -0.036 53 HD21 LEU 6 HD21 LEU 6 48.464 3.360 -1.244 54 HD22 LEU 6 HD22 LEU 6 48.961 4.842 -0.396 55 HD23 LEU 6 HD23 LEU 6 47.248 4.356 -0.408 56 H GLU 7 HN GLU 7 49.901 5.186 4.462 57 HA GLU 7 HA GLU 7 47.690 6.273 6.152 58 HB2 GLU 7 HB2 GLU 7 50.413 5.092 6.827 59 HB3 GLU 7 HB1 GLU 7 49.224 5.660 8.024 60 HG2 GLU 7 HG2 GLU 7 47.583 4.029 7.238 61 HG3 GLU 7 HG1 GLU 7 48.666 3.522 5.920 62 H ARG 8 HN ARG 8 49.248 7.913 4.166 63 HA ARG 8 HA ARG 8 51.118 9.575 5.558 64 HB2 ARG 8 HB2 ARG 8 49.279 10.431 3.292 65 HB3 ARG 8 HB1 ARG 8 50.876 11.098 3.711 66 HG2 ARG 8 HG2 ARG 8 51.898 8.863 3.228 67 HG3 ARG 8 HG1 ARG 8 50.300 8.275 2.710 68 HD2 ARG 8 HD2 ARG 8 51.849 10.595 1.477 69 HD3 ARG 8 HD1 ARG 8 51.607 8.988 0.751 70 HE ARG 8 HE ARG 8 49.042 10.072 1.344 71 HH11 ARG 8 HH11 ARG 8 49.233 12.540 0.365 72 HH12 ARG 8 HH12 ARG 8 49.448 12.449 -1.352 73 HH21 ARG 8 HH21 ARG 8 50.419 9.120 -1.321 74 HH22 ARG 8 HH22 ARG 8 50.119 10.513 -2.306 75 H ILE 9 HN ILE 9 49.699 12.125 4.705 76 HA ILE 9 HA ILE 9 48.854 13.018 7.225 77 HB ILE 9 HB ILE 9 47.566 14.801 5.965 78 HG12 ILE 9 HG12 ILE 9 48.535 13.216 3.539 79 HG13 ILE 9 HG11 ILE 9 46.846 13.310 4.087 80 HG21 ILE 9 HG21 ILE 9 50.093 14.837 6.415 81 HG22 ILE 9 HG22 ILE 9 49.536 15.843 5.059 82 HG23 ILE 9 HG23 ILE 9 50.307 14.269 4.742 83 HD11 ILE 9 HD1 ILE 9 47.148 15.899 3.900 84 HD12 ILE 9 HD2 ILE 9 46.980 14.965 2.395 85 HD13 ILE 9 HD3 ILE 9 48.587 15.510 2.926 86 H GLY 10 HN GLY 10 47.164 11.034 4.910 87 HA2 GLY 10 HA1 GLY 10 45.005 10.187 4.892 88 HA3 GLY 10 HA2 GLY 10 45.227 10.082 6.650 89 H LYS 11 HN LYS 11 45.416 13.239 5.275 90 HA LYS 11 HA LYS 11 42.534 13.788 5.953 91 HB2 LYS 11 HB2 LYS 11 45.008 15.280 6.911 92 HB3 LYS 11 HB1 LYS 11 43.374 15.978 6.964 93 HG2 LYS 11 HG2 LYS 11 43.867 13.238 8.190 94 HG3 LYS 11 HG1 LYS 11 44.347 14.694 9.086 95 HD2 LYS 11 HD2 LYS 11 42.014 15.577 8.852 96 HD3 LYS 11 HD1 LYS 11 41.545 14.059 8.052 97 HE2 LYS 11 HE2 LYS 11 40.966 13.885 10.406 98 HE3 LYS 11 HE1 LYS 11 42.351 12.811 10.091 99 HZ1 LYS 11 HZ1 LYS 11 42.235 14.735 12.011 100 HZ2 LYS 11 HZ2 LYS 11 43.126 15.495 10.779 101 HZ3 LYS 11 HZ3 LYS 11 43.653 14.014 11.422 102 H ALA 12 HN ALA 12 43.467 13.339 3.375 103 HA ALA 12 HA ALA 12 44.149 15.917 2.134 104 HB1 ALA 12 HB1 ALA 12 44.116 14.701 0.071 105 HB2 ALA 12 HB2 ALA 12 43.165 13.379 0.790 106 HB3 ALA 12 HB3 ALA 12 44.857 13.632 1.285 107 H GLY 13 HN GLY 13 42.000 16.469 3.613 108 HA2 GLY 13 HA1 GLY 13 39.930 17.490 3.414 109 HA3 GLY 13 HA2 GLY 13 40.073 17.335 1.649 110 H PHE 14 HN PHE 14 40.327 14.609 3.850 111 HA PHE 14 HA PHE 14 38.940 12.797 4.219 112 HB2 PHE 14 HB2 PHE 14 36.592 14.243 2.952 113 HB3 PHE 14 HB1 PHE 14 36.602 13.057 4.276 114 HD1 PHE 14 HD1 PHE 14 38.226 13.807 6.334 115 HD2 PHE 14 HD2 PHE 14 36.230 16.488 3.598 116 HE1 PHE 14 HE1 PHE 14 38.375 15.639 8.015 117 HE2 PHE 14 HE2 PHE 14 36.381 18.316 5.282 118 HZ PHE 14 HZ PHE 14 37.459 17.894 7.487 119 H ILE 15 HN ILE 15 40.455 12.117 2.438 120 HA ILE 15 HA ILE 15 40.866 11.283 0.297 121 HB ILE 15 HB ILE 15 39.297 9.346 -0.249 122 HG12 ILE 15 HG12 ILE 15 38.009 10.158 2.402 123 HG13 ILE 15 HG11 ILE 15 37.265 10.432 0.810 124 HG21 ILE 15 HG21 ILE 15 41.342 9.210 1.254 125 HG22 ILE 15 HG22 ILE 15 40.090 8.000 1.602 126 HG23 ILE 15 HG23 ILE 15 40.255 9.432 2.644 127 HD11 ILE 15 HD1 ILE 15 37.620 7.860 0.450 128 HD12 ILE 15 HD2 ILE 15 36.306 8.389 1.524 129 HD13 ILE 15 HD3 ILE 15 37.834 7.802 2.216 130 H ILE 16 HN ILE 16 40.194 13.613 -0.396 131 HA ILE 16 HA ILE 16 38.331 13.203 -2.699 132 HB ILE 16 HB ILE 16 37.106 14.393 -0.797 133 HG12 ILE 16 HG12 ILE 16 36.304 16.283 -2.325 134 HG13 ILE 16 HG11 ILE 16 37.586 15.811 -3.462 135 HG21 ILE 16 HG21 ILE 16 37.696 16.627 -0.207 136 HG22 ILE 16 HG22 ILE 16 38.880 16.742 -1.526 137 HG23 ILE 16 HG23 ILE 16 39.213 15.700 -0.126 138 HD11 ILE 16 HD1 ILE 16 36.522 13.799 -4.038 139 HD12 ILE 16 HD2 ILE 16 35.111 14.822 -3.706 140 HD13 ILE 16 HD3 ILE 16 35.676 13.669 -2.478 141 H ILE 17 HN ILE 17 40.732 15.363 -1.095 142 HA ILE 17 HA ILE 17 41.507 16.564 -3.660 143 HB ILE 17 HB ILE 17 42.978 16.498 -0.979 144 HG12 ILE 17 HG12 ILE 17 40.868 17.673 -0.720 145 HG13 ILE 17 HG11 ILE 17 42.164 18.878 -0.776 146 HG21 ILE 17 HG21 ILE 17 44.039 18.663 -2.151 147 HG22 ILE 17 HG22 ILE 17 43.588 17.805 -3.642 148 HG23 ILE 17 HG23 ILE 17 44.684 17.039 -2.476 149 HD11 ILE 17 HD1 ILE 17 40.084 18.224 -2.886 150 HD12 ILE 17 HD2 ILE 17 41.622 18.977 -3.355 151 HD13 ILE 17 HD3 ILE 17 40.541 19.804 -2.215 152 H GLY 18 HN GLY 18 42.988 14.260 -1.355 153 HA2 GLY 18 HA1 GLY 18 45.071 13.515 -3.263 154 HA3 GLY 18 HA2 GLY 18 44.717 12.737 -1.702 155 H GLY 19 HN GLY 19 41.857 12.449 -2.351 156 HA2 GLY 19 HA1 GLY 19 42.032 9.847 -3.613 157 HA3 GLY 19 HA2 GLY 19 40.552 10.690 -3.112 158 H ALA 20 HN ALA 20 40.970 13.095 -4.657 159 HA ALA 20 HA ALA 20 39.949 12.092 -7.215 160 HB1 ALA 20 HB1 ALA 20 39.776 14.489 -7.787 161 HB2 ALA 20 HB2 ALA 20 40.648 14.902 -6.291 162 HB3 ALA 20 HB3 ALA 20 39.045 14.132 -6.205 163 H LEU 21 HN LEU 21 42.642 11.245 -6.598 164 HA LEU 21 HA LEU 21 44.651 12.773 -7.859 165 HB2 LEU 21 HB2 LEU 21 45.203 10.814 -6.548 166 HB3 LEU 21 HB1 LEU 21 44.268 9.761 -7.630 167 HG LEU 21 HG LEU 21 45.846 10.115 -9.450 168 HD11 LEU 21 HD11 LEU 21 47.973 11.511 -8.888 169 HD12 LEU 21 HD12 LEU 21 46.995 12.226 -7.584 170 HD13 LEU 21 HD13 LEU 21 46.485 12.401 -9.281 171 HD21 LEU 21 HD21 LEU 21 46.439 8.417 -7.751 172 HD22 LEU 21 HD22 LEU 21 47.305 9.654 -6.808 173 HD23 LEU 21 HD23 LEU 21 47.900 9.180 -8.418 174 H ASP 22 HN ASP 22 44.817 13.515 -9.867 175 HA ASP 22 HA ASP 22 44.454 13.722 -12.152 176 HB2 ASP 22 HB2 ASP 22 44.577 10.681 -12.045 177 HB3 ASP 22 HB1 ASP 22 44.828 11.696 -13.486 178 H HIS 23 HN HIS 23 42.108 13.326 -10.287 179 HA HIS 23 HA HIS 23 39.811 13.026 -10.453 180 HB2 HIS 23 HB2 HIS 23 40.472 13.717 -13.342 181 HB3 HIS 23 HB1 HIS 23 38.821 13.650 -12.680 182 HD1 HIS 23 HD1 HIS 23 38.172 15.414 -10.826 183 HD2 HIS 23 HD2 HIS 23 41.930 16.015 -12.620 184 HE1 HIS 23 HE1 HIS 23 38.951 17.764 -10.195 185 H LEU 24 HN LEU 24 41.158 10.633 -10.377 186 HA LEU 24 HA LEU 24 40.680 8.833 -12.502 187 HB2 LEU 24 HB2 LEU 24 42.083 8.189 -10.650 188 HB3 LEU 24 HB1 LEU 24 40.761 8.422 -9.488 189 HG LEU 24 HG LEU 24 39.553 6.509 -10.358 190 HD11 LEU 24 HD11 LEU 24 39.860 6.638 -12.722 191 HD12 LEU 24 HD12 LEU 24 40.688 5.138 -12.246 192 HD13 LEU 24 HD13 LEU 24 41.634 6.610 -12.577 193 HD21 LEU 24 HD21 LEU 24 41.395 6.019 -8.786 194 HD22 LEU 24 HD22 LEU 24 42.531 5.879 -10.150 195 HD23 LEU 24 HD23 LEU 24 41.210 4.701 -9.968 Start of MODEL 75 1 H1 GLY 1 HT1 GLY 1 58.370 -1.194 7.795 2 H2 GLY 1 HT2 GLY 1 59.053 -2.696 7.389 3 H3 GLY 1 HT3 GLY 1 57.570 -2.221 6.711 4 HA2 GLY 1 HA1 GLY 1 60.083 -0.751 6.312 5 HA3 GLY 1 HA2 GLY 1 59.531 -2.051 5.236 6 H LYS 2 HN LYS 2 58.866 -1.136 3.409 7 HA LYS 2 HA LYS 2 57.809 1.520 3.229 8 HB2 LYS 2 HB2 LYS 2 57.419 -0.827 1.327 9 HB3 LYS 2 HB1 LYS 2 57.181 0.894 0.938 10 HG2 LYS 2 HG2 LYS 2 59.554 1.354 1.406 11 HG3 LYS 2 HG1 LYS 2 59.809 -0.348 1.861 12 HD2 LYS 2 HD2 LYS 2 59.033 -1.006 -0.456 13 HD3 LYS 2 HD1 LYS 2 59.017 0.723 -0.881 14 HE2 LYS 2 HE2 LYS 2 61.460 -0.748 0.199 15 HE3 LYS 2 HE1 LYS 2 61.151 -0.459 -1.530 16 HZ1 LYS 2 HZ1 LYS 2 61.491 1.774 -1.309 17 HZ2 LYS 2 HZ2 LYS 2 62.554 1.215 -0.108 18 HZ3 LYS 2 HZ3 LYS 2 61.025 1.820 0.321 19 H GLY 3 HN GLY 3 55.567 1.645 1.864 20 HA2 GLY 3 HA1 GLY 3 53.256 0.345 2.098 21 HA3 GLY 3 HA2 GLY 3 53.480 0.721 3.869 22 H ARG 4 HN ARG 4 54.447 2.360 4.387 23 HA ARG 4 HA ARG 4 52.150 3.079 4.688 24 HB2 ARG 4 HB2 ARG 4 54.541 4.778 5.534 25 HB3 ARG 4 HB1 ARG 4 52.888 5.040 6.147 26 HG2 ARG 4 HG2 ARG 4 52.800 2.790 7.062 27 HG3 ARG 4 HG1 ARG 4 54.348 2.365 6.292 28 HD2 ARG 4 HD2 ARG 4 54.520 2.941 8.760 29 HD3 ARG 4 HD1 ARG 4 55.559 3.921 7.696 30 HE ARG 4 HE ARG 4 52.979 5.184 8.135 31 HH11 ARG 4 HH11 ARG 4 53.100 7.149 9.257 32 HH12 ARG 4 HH12 ARG 4 54.413 7.421 10.354 33 HH21 ARG 4 HH21 ARG 4 55.973 4.406 9.649 34 HH22 ARG 4 HH22 ARG 4 56.040 5.867 10.575 35 H TRP 5 HN TRP 5 53.999 3.973 2.256 36 HA TRP 5 HA TRP 5 53.738 6.651 1.540 37 HB2 TRP 5 HB2 TRP 5 54.690 4.684 0.172 38 HB3 TRP 5 HB1 TRP 5 53.027 4.426 -0.407 39 HD1 TRP 5 HD1 TRP 5 51.870 6.642 -1.625 40 HE1 TRP 5 HE1 TRP 5 52.944 8.421 -3.189 41 HE3 TRP 5 HE3 TRP 5 56.788 5.927 -0.401 42 HZ2 TRP 5 HZ2 TRP 5 55.591 9.380 -3.799 43 HZ3 TRP 5 HZ3 TRP 5 58.571 7.284 -1.486 44 HH2 TRP 5 HH2 TRP 5 57.977 9.008 -3.183 45 H LEU 6 HN LEU 6 51.226 4.287 1.934 46 HA LEU 6 HA LEU 6 49.149 6.070 0.721 47 HB2 LEU 6 HB2 LEU 6 49.242 3.165 1.600 48 HB3 LEU 6 HB1 LEU 6 47.684 3.990 1.365 49 HG LEU 6 HG LEU 6 48.351 4.574 -0.957 50 HD11 LEU 6 HD11 LEU 6 50.724 4.704 -0.881 51 HD12 LEU 6 HD12 LEU 6 50.398 3.254 -1.853 52 HD13 LEU 6 HD13 LEU 6 50.882 3.092 -0.147 53 HD21 LEU 6 HD21 LEU 6 48.737 1.600 -0.404 54 HD22 LEU 6 HD22 LEU 6 48.075 2.347 -1.878 55 HD23 LEU 6 HD23 LEU 6 47.155 2.415 -0.355 56 H GLU 7 HN GLU 7 50.401 4.858 3.828 57 HA GLU 7 HA GLU 7 47.998 5.871 5.266 58 HB2 GLU 7 HB2 GLU 7 49.423 3.758 5.853 59 HB3 GLU 7 HB1 GLU 7 50.575 4.912 6.557 60 HG2 GLU 7 HG2 GLU 7 48.625 5.876 7.895 61 HG3 GLU 7 HG1 GLU 7 47.656 4.497 7.326 62 H ARG 8 HN ARG 8 49.390 7.811 3.717 63 HA ARG 8 HA ARG 8 51.248 9.332 5.289 64 HB2 ARG 8 HB2 ARG 8 50.797 9.555 2.799 65 HB3 ARG 8 HB1 ARG 8 49.302 10.424 3.225 66 HG2 ARG 8 HG2 ARG 8 50.602 12.108 4.461 67 HG3 ARG 8 HG1 ARG 8 52.108 11.224 4.116 68 HD2 ARG 8 HD2 ARG 8 50.245 12.482 2.054 69 HD3 ARG 8 HD1 ARG 8 51.852 13.083 2.528 70 HE ARG 8 HE ARG 8 52.199 10.406 1.680 71 HH11 ARG 8 HH11 ARG 8 51.971 9.798 -0.567 72 HH12 ARG 8 HH12 ARG 8 52.108 11.060 -1.745 73 HH21 ARG 8 HH21 ARG 8 52.016 13.618 0.595 74 HH22 ARG 8 HH22 ARG 8 52.133 13.223 -1.087 75 H ILE 9 HN ILE 9 47.725 9.171 5.174 76 HA ILE 9 HA ILE 9 47.515 10.503 7.742 77 HB ILE 9 HB ILE 9 47.863 12.505 6.282 78 HG12 ILE 9 HG12 ILE 9 44.995 12.251 7.311 79 HG13 ILE 9 HG11 ILE 9 46.409 12.529 8.352 80 HG21 ILE 9 HG21 ILE 9 46.312 13.071 4.541 81 HG22 ILE 9 HG22 ILE 9 45.195 11.766 5.009 82 HG23 ILE 9 HG23 ILE 9 46.759 11.373 4.258 83 HD11 ILE 9 HD1 ILE 9 46.907 14.579 6.858 84 HD12 ILE 9 HD2 ILE 9 45.503 14.698 7.944 85 HD13 ILE 9 HD3 ILE 9 45.263 14.362 6.214 86 H GLY 10 HN GLY 10 46.064 9.312 4.755 87 HA2 GLY 10 HA1 GLY 10 44.028 8.285 4.355 88 HA3 GLY 10 HA2 GLY 10 44.245 7.584 5.971 89 H LYS 11 HN LYS 11 42.799 10.195 4.092 90 HA LYS 11 HA LYS 11 40.531 10.308 5.886 91 HB2 LYS 11 HB2 LYS 11 42.351 11.621 7.152 92 HB3 LYS 11 HB1 LYS 11 42.221 12.836 5.858 93 HG2 LYS 11 HG2 LYS 11 39.790 13.061 6.316 94 HG3 LYS 11 HG1 LYS 11 39.928 11.855 7.619 95 HD2 LYS 11 HD2 LYS 11 41.667 13.362 8.697 96 HD3 LYS 11 HD1 LYS 11 41.244 14.599 7.488 97 HE2 LYS 11 HE2 LYS 11 39.496 13.416 9.669 98 HE3 LYS 11 HE1 LYS 11 39.879 15.127 9.360 99 HZ1 LYS 11 HZ1 LYS 11 38.757 14.553 7.067 100 HZ2 LYS 11 HZ2 LYS 11 37.825 14.991 8.418 101 HZ3 LYS 11 HZ3 LYS 11 37.984 13.356 7.986 102 H ALA 12 HN ALA 12 42.363 11.224 3.124 103 HA ALA 12 HA ALA 12 41.673 11.927 1.041 104 HB1 ALA 12 HB1 ALA 12 38.794 12.133 1.949 105 HB2 ALA 12 HB2 ALA 12 39.560 10.540 1.752 106 HB3 ALA 12 HB3 ALA 12 39.450 11.651 0.367 107 H GLY 13 HN GLY 13 41.124 13.604 3.942 108 HA2 GLY 13 HA1 GLY 13 40.620 15.847 4.410 109 HA3 GLY 13 HA2 GLY 13 41.908 16.097 3.215 110 H PHE 14 HN PHE 14 38.469 15.086 3.088 111 HA PHE 14 HA PHE 14 36.701 15.954 1.879 112 HB2 PHE 14 HB2 PHE 14 37.722 18.190 2.841 113 HB3 PHE 14 HB1 PHE 14 38.301 18.443 1.179 114 HD1 PHE 14 HD1 PHE 14 35.258 17.900 3.282 115 HD2 PHE 14 HD2 PHE 14 36.777 19.056 -0.590 116 HE1 PHE 14 HE1 PHE 14 32.987 18.687 2.626 117 HE2 PHE 14 HE2 PHE 14 34.505 19.843 -1.245 118 HZ PHE 14 HZ PHE 14 32.595 19.583 0.333 119 H ILE 15 HN ILE 15 38.567 14.219 0.755 120 HA ILE 15 HA ILE 15 39.124 13.320 -1.291 121 HB ILE 15 HB ILE 15 37.433 15.474 -2.621 122 HG12 ILE 15 HG12 ILE 15 36.547 12.818 -1.399 123 HG13 ILE 15 HG11 ILE 15 36.143 14.430 -0.769 124 HG21 ILE 15 HG21 ILE 15 37.875 12.564 -3.395 125 HG22 ILE 15 HG22 ILE 15 38.923 13.880 -3.973 126 HG23 ILE 15 HG23 ILE 15 37.196 13.873 -4.391 127 HD11 ILE 15 HD1 ILE 15 34.239 13.839 -2.050 128 HD12 ILE 15 HD2 ILE 15 35.221 13.118 -3.345 129 HD13 ILE 15 HD3 ILE 15 35.167 14.887 -3.149 130 H ILE 16 HN ILE 16 41.292 14.112 -0.816 131 HA ILE 16 HA ILE 16 42.210 15.870 -3.019 132 HB ILE 16 HB ILE 16 41.753 17.358 -0.966 133 HG12 ILE 16 HG12 ILE 16 44.203 18.381 -1.138 134 HG13 ILE 16 HG11 ILE 16 44.442 17.133 -2.377 135 HG21 ILE 16 HG21 ILE 16 43.098 17.211 0.960 136 HG22 ILE 16 HG22 ILE 16 44.326 16.213 0.152 137 HG23 ILE 16 HG23 ILE 16 42.756 15.505 0.595 138 HD11 ILE 16 HD1 ILE 16 42.130 19.128 -2.425 139 HD12 ILE 16 HD2 ILE 16 42.641 18.034 -3.732 140 HD13 ILE 16 HD3 ILE 16 43.679 19.392 -3.255 141 H ILE 17 HN ILE 17 42.583 13.383 -0.682 142 HA ILE 17 HA ILE 17 45.348 12.757 -1.736 143 HB ILE 17 HB ILE 17 44.048 11.802 0.861 144 HG12 ILE 17 HG12 ILE 17 44.581 14.122 1.176 145 HG13 ILE 17 HG11 ILE 17 45.883 13.209 1.952 146 HG21 ILE 17 HG21 ILE 17 45.534 10.100 0.214 147 HG22 ILE 17 HG22 ILE 17 46.564 11.109 1.249 148 HG23 ILE 17 HG23 ILE 17 46.692 11.228 -0.521 149 HD11 ILE 17 HD1 ILE 17 47.008 14.906 0.736 150 HD12 ILE 17 HD2 ILE 17 45.945 14.733 -0.676 151 HD13 ILE 17 HD3 ILE 17 47.150 13.481 -0.312 152 H GLY 18 HN GLY 18 42.114 11.583 -0.876 153 HA2 GLY 18 HA1 GLY 18 42.637 8.882 -1.855 154 HA3 GLY 18 HA2 GLY 18 41.066 9.565 -1.385 155 H GLY 19 HN GLY 19 40.619 11.637 -2.993 156 HA2 GLY 19 HA1 GLY 19 40.215 10.315 -5.592 157 HA3 GLY 19 HA2 GLY 19 39.604 11.902 -5.087 158 H ALA 20 HN ALA 20 42.307 12.786 -4.190 159 HA ALA 20 HA ALA 20 43.970 14.093 -5.153 160 HB1 ALA 20 HB1 ALA 20 45.482 12.932 -6.605 161 HB2 ALA 20 HB2 ALA 20 44.206 11.808 -7.134 162 HB3 ALA 20 HB3 ALA 20 44.826 11.733 -5.466 163 H LEU 21 HN LEU 21 41.119 14.099 -6.323 164 HA LEU 21 HA LEU 21 40.022 15.204 -8.040 165 HB2 LEU 21 HB2 LEU 21 42.657 16.572 -8.672 166 HB3 LEU 21 HB1 LEU 21 41.006 17.203 -8.870 167 HG LEU 21 HG LEU 21 42.406 16.599 -6.227 168 HD11 LEU 21 HD11 LEU 21 41.438 19.236 -7.413 169 HD12 LEU 21 HD12 LEU 21 43.124 18.670 -7.481 170 HD13 LEU 21 HD13 LEU 21 42.362 19.012 -5.909 171 HD21 LEU 21 HD21 LEU 21 40.290 17.796 -5.324 172 HD22 LEU 21 HD22 LEU 21 40.090 16.117 -5.875 173 HD23 LEU 21 HD23 LEU 21 39.567 17.464 -6.916 174 H ASP 22 HN ASP 22 42.218 12.888 -8.524 175 HA ASP 22 HA ASP 22 42.619 13.158 -11.427 176 HB2 ASP 22 HB2 ASP 22 43.129 10.888 -9.466 177 HB3 ASP 22 HB1 ASP 22 43.553 10.837 -11.194 178 H HIS 23 HN HIS 23 39.852 12.985 -10.058 179 HA HIS 23 HA HIS 23 37.808 11.986 -10.520 180 HB2 HIS 23 HB2 HIS 23 39.206 11.308 -13.138 181 HB3 HIS 23 HB1 HIS 23 37.450 11.260 -12.856 182 HD1 HIS 23 HD1 HIS 23 40.249 13.835 -12.204 183 HD2 HIS 23 HD2 HIS 23 36.297 13.636 -13.627 184 HE1 HIS 23 HE1 HIS 23 39.565 16.201 -12.885 185 H LEU 24 HN LEU 24 39.498 10.439 -8.947 186 HA LEU 24 HA LEU 24 38.308 7.832 -9.327 187 HB2 LEU 24 HB2 LEU 24 39.958 7.505 -11.052 188 HB3 LEU 24 HB1 LEU 24 41.247 8.186 -10.036 189 HG LEU 24 HG LEU 24 41.185 6.279 -8.542 190 HD11 LEU 24 HD11 LEU 24 39.556 4.348 -9.131 191 HD12 LEU 24 HD12 LEU 24 38.659 5.557 -10.080 192 HD13 LEU 24 HD13 LEU 24 38.862 5.773 -8.325 193 HD21 LEU 24 HD21 LEU 24 42.346 6.058 -10.791 194 HD22 LEU 24 HD22 LEU 24 40.903 5.193 -11.374 195 HD23 LEU 24 HD23 LEU 24 41.872 4.513 -10.045 Start of MODEL 76 1 H1 GLY 1 HT1 GLY 1 61.008 2.904 2.294 2 H2 GLY 1 HT2 GLY 1 60.624 3.688 0.835 3 H3 GLY 1 HT3 GLY 1 62.226 3.218 1.158 4 HA2 GLY 1 HA1 GLY 1 61.054 1.787 -0.427 5 HA3 GLY 1 HA2 GLY 1 61.725 0.965 0.995 6 H LYS 2 HN LYS 2 59.728 1.956 2.855 7 HA LYS 2 HA LYS 2 57.094 1.224 1.908 8 HB2 LYS 2 HB2 LYS 2 56.884 -0.897 3.221 9 HB3 LYS 2 HB1 LYS 2 58.005 -1.036 1.846 10 HG2 LYS 2 HG2 LYS 2 59.909 -0.560 3.426 11 HG3 LYS 2 HG1 LYS 2 58.745 -0.613 4.773 12 HD2 LYS 2 HD2 LYS 2 58.153 -2.927 4.219 13 HD3 LYS 2 HD1 LYS 2 59.220 -2.885 2.794 14 HE2 LYS 2 HE2 LYS 2 60.341 -4.006 4.691 15 HE3 LYS 2 HE1 LYS 2 61.173 -2.488 4.274 16 HZ1 LYS 2 HZ1 LYS 2 60.784 -2.808 6.691 17 HZ2 LYS 2 HZ2 LYS 2 59.111 -2.727 6.407 18 HZ3 LYS 2 HZ3 LYS 2 60.099 -1.385 6.077 19 H GLY 3 HN GLY 3 55.560 0.894 3.808 20 HA2 GLY 3 HA1 GLY 3 55.691 1.312 6.441 21 HA3 GLY 3 HA2 GLY 3 56.295 2.952 5.915 22 H ARG 4 HN ARG 4 55.652 3.673 4.175 23 HA ARG 4 HA ARG 4 54.272 4.918 5.733 24 HB2 ARG 4 HB2 ARG 4 54.310 5.489 2.732 25 HB3 ARG 4 HB1 ARG 4 53.733 6.660 3.945 26 HG2 ARG 4 HG2 ARG 4 55.901 6.624 5.079 27 HG3 ARG 4 HG1 ARG 4 56.487 5.348 3.985 28 HD2 ARG 4 HD2 ARG 4 57.321 7.567 3.274 29 HD3 ARG 4 HD1 ARG 4 56.221 6.882 2.054 30 HE ARG 4 HE ARG 4 54.727 8.519 3.884 31 HH11 ARG 4 HH11 ARG 4 53.678 9.384 1.672 32 HH12 ARG 4 HH12 ARG 4 54.666 10.624 0.976 33 HH21 ARG 4 HH21 ARG 4 57.468 9.810 2.847 34 HH22 ARG 4 HH22 ARG 4 56.812 10.867 1.641 35 H TRP 5 HN TRP 5 53.221 2.493 3.963 36 HA TRP 5 HA TRP 5 50.672 2.850 2.902 37 HB2 TRP 5 HB2 TRP 5 51.839 0.666 3.044 38 HB3 TRP 5 HB1 TRP 5 51.481 0.602 4.787 39 HD1 TRP 5 HD1 TRP 5 49.337 1.346 1.628 40 HE1 TRP 5 HE1 TRP 5 47.123 -0.010 1.782 41 HE3 TRP 5 HE3 TRP 5 50.158 -1.035 6.085 42 HZ2 TRP 5 HZ2 TRP 5 45.903 -1.872 3.611 43 HZ3 TRP 5 HZ3 TRP 5 48.457 -2.596 7.015 44 HH2 TRP 5 HH2 TRP 5 46.332 -3.016 5.784 45 H LEU 6 HN LEU 6 51.645 3.396 6.164 46 HA LEU 6 HA LEU 6 48.770 3.636 7.047 47 HB2 LEU 6 HB2 LEU 6 51.223 3.356 8.819 48 HB3 LEU 6 HB1 LEU 6 49.513 3.225 9.289 49 HG LEU 6 HG LEU 6 50.982 1.334 7.397 50 HD11 LEU 6 HD11 LEU 6 49.994 0.977 10.262 51 HD12 LEU 6 HD12 LEU 6 51.695 1.105 9.753 52 HD13 LEU 6 HD13 LEU 6 50.719 -0.297 9.251 53 HD21 LEU 6 HD21 LEU 6 48.704 1.312 6.716 54 HD22 LEU 6 HD22 LEU 6 48.106 1.520 8.380 55 HD23 LEU 6 HD23 LEU 6 48.801 -0.036 7.869 56 H GLU 7 HN GLU 7 51.764 5.331 6.386 57 HA GLU 7 HA GLU 7 51.704 7.467 8.176 58 HB2 GLU 7 HB2 GLU 7 53.317 7.072 6.243 59 HB3 GLU 7 HB1 GLU 7 52.097 7.820 5.183 60 HG2 GLU 7 HG2 GLU 7 52.159 9.883 6.515 61 HG3 GLU 7 HG1 GLU 7 53.306 9.139 7.655 62 H ARG 8 HN ARG 8 49.538 6.829 5.451 63 HA ARG 8 HA ARG 8 47.637 7.944 4.723 64 HB2 ARG 8 HB2 ARG 8 46.918 7.163 6.990 65 HB3 ARG 8 HB1 ARG 8 47.422 8.736 7.655 66 HG2 ARG 8 HG2 ARG 8 45.801 9.917 6.306 67 HG3 ARG 8 HG1 ARG 8 45.417 8.445 5.379 68 HD2 ARG 8 HD2 ARG 8 43.667 8.814 7.046 69 HD3 ARG 8 HD1 ARG 8 44.609 7.373 7.500 70 HE ARG 8 HE ARG 8 45.811 9.576 8.806 71 HH11 ARG 8 HH11 ARG 8 43.343 10.802 9.417 72 HH12 ARG 8 HH12 ARG 8 42.687 9.892 10.738 73 HH21 ARG 8 HH21 ARG 8 44.734 7.143 10.206 74 HH22 ARG 8 HH22 ARG 8 43.477 7.820 11.185 75 H ILE 9 HN ILE 9 48.777 9.469 3.440 76 HA ILE 9 HA ILE 9 49.923 11.865 4.252 77 HB ILE 9 HB ILE 9 49.435 12.791 2.061 78 HG12 ILE 9 HG12 ILE 9 47.054 12.276 1.841 79 HG13 ILE 9 HG11 ILE 9 47.921 11.603 0.455 80 HG21 ILE 9 HG21 ILE 9 51.189 11.272 1.824 81 HG22 ILE 9 HG22 ILE 9 50.033 10.598 0.656 82 HG23 ILE 9 HG23 ILE 9 50.199 9.868 2.269 83 HD11 ILE 9 HD1 ILE 9 47.979 9.386 1.843 84 HD12 ILE 9 HD2 ILE 9 46.449 9.869 1.089 85 HD13 ILE 9 HD3 ILE 9 46.705 10.146 2.823 86 H GLY 10 HN GLY 10 46.589 10.966 4.439 87 HA2 GLY 10 HA1 GLY 10 44.660 12.233 4.852 88 HA3 GLY 10 HA2 GLY 10 45.671 12.785 6.199 89 H LYS 11 HN LYS 11 46.441 13.574 2.859 90 HA LYS 11 HA LYS 11 46.702 16.333 3.296 91 HB2 LYS 11 HB2 LYS 11 47.406 14.962 1.249 92 HB3 LYS 11 HB1 LYS 11 45.725 15.099 0.694 93 HG2 LYS 11 HG2 LYS 11 46.701 16.949 -0.375 94 HG3 LYS 11 HG1 LYS 11 46.083 17.700 1.111 95 HD2 LYS 11 HD2 LYS 11 48.298 17.596 2.145 96 HD3 LYS 11 HD1 LYS 11 48.939 16.668 0.769 97 HE2 LYS 11 HE2 LYS 11 49.589 18.998 0.502 98 HE3 LYS 11 HE1 LYS 11 48.365 18.607 -0.730 99 HZ1 LYS 11 HZ1 LYS 11 46.682 19.632 0.601 100 HZ2 LYS 11 HZ2 LYS 11 47.965 20.734 0.444 101 HZ3 LYS 11 HZ3 LYS 11 47.754 19.873 1.894 102 H ALA 12 HN ALA 12 43.838 14.394 2.668 103 HA ALA 12 HA ALA 12 42.119 16.659 3.448 104 HB1 ALA 12 HB1 ALA 12 42.348 17.136 1.082 105 HB2 ALA 12 HB2 ALA 12 40.727 16.460 1.382 106 HB3 ALA 12 HB3 ALA 12 42.002 15.437 0.669 107 H GLY 13 HN GLY 13 42.402 13.389 2.082 108 HA2 GLY 13 HA1 GLY 13 40.850 12.198 4.183 109 HA3 GLY 13 HA2 GLY 13 39.847 12.413 2.730 110 H PHE 14 HN PHE 14 41.681 12.055 0.736 111 HA PHE 14 HA PHE 14 43.320 9.716 1.025 112 HB2 PHE 14 HB2 PHE 14 41.041 8.654 1.311 113 HB3 PHE 14 HB1 PHE 14 40.635 9.217 -0.328 114 HD1 PHE 14 HD1 PHE 14 43.212 7.243 1.580 115 HD2 PHE 14 HD2 PHE 14 41.253 7.905 -2.210 116 HE1 PHE 14 HE1 PHE 14 44.380 5.258 0.629 117 HE2 PHE 14 HE2 PHE 14 42.422 5.920 -3.160 118 HZ PHE 14 HZ PHE 14 43.915 4.547 -1.714 119 H ILE 15 HN ILE 15 43.291 12.386 -0.098 120 HA ILE 15 HA ILE 15 44.021 13.454 -1.992 121 HB ILE 15 HB ILE 15 44.444 10.743 -3.321 122 HG12 ILE 15 HG12 ILE 15 46.252 12.238 -1.363 123 HG13 ILE 15 HG11 ILE 15 45.493 10.653 -1.097 124 HG21 ILE 15 HG21 ILE 15 46.076 11.896 -4.639 125 HG22 ILE 15 HG22 ILE 15 46.059 13.312 -3.560 126 HG23 ILE 15 HG23 ILE 15 44.657 12.967 -4.600 127 HD11 ILE 15 HD1 ILE 15 47.704 10.120 -1.773 128 HD12 ILE 15 HD2 ILE 15 47.721 11.383 -3.025 129 HD13 ILE 15 HD3 ILE 15 46.746 9.911 -3.259 130 H ILE 16 HN ILE 16 41.567 13.627 -1.721 131 HA ILE 16 HA ILE 16 40.285 12.913 -4.359 132 HB ILE 16 HB ILE 16 39.029 13.410 -1.637 133 HG12 ILE 16 HG12 ILE 16 40.205 11.285 -1.605 134 HG13 ILE 16 HG11 ILE 16 38.463 10.962 -1.706 135 HG21 ILE 16 HG21 ILE 16 37.908 12.969 -4.416 136 HG22 ILE 16 HG22 ILE 16 37.313 14.007 -3.108 137 HG23 ILE 16 HG23 ILE 16 37.026 12.257 -3.043 138 HD11 ILE 16 HD1 ILE 16 40.591 10.642 -3.845 139 HD12 ILE 16 HD2 ILE 16 38.891 10.871 -4.310 140 HD13 ILE 16 HD3 ILE 16 39.357 9.481 -3.309 141 H ILE 17 HN ILE 17 40.129 15.241 -1.604 142 HA ILE 17 HA ILE 17 39.014 17.328 -3.329 143 HB ILE 17 HB ILE 17 40.367 17.656 -0.615 144 HG12 ILE 17 HG12 ILE 17 38.630 15.966 -0.386 145 HG13 ILE 17 HG11 ILE 17 38.042 17.479 0.334 146 HG21 ILE 17 HG21 ILE 17 38.641 19.425 -2.371 147 HG22 ILE 17 HG22 ILE 17 40.075 19.833 -1.410 148 HG23 ILE 17 HG23 ILE 17 38.513 19.583 -0.603 149 HD11 ILE 17 HD1 ILE 17 36.933 17.926 -1.974 150 HD12 ILE 17 HD2 ILE 17 36.212 16.670 -0.948 151 HD13 ILE 17 HD3 ILE 17 37.253 16.212 -2.312 152 H GLY 18 HN GLY 18 42.171 16.738 -1.737 153 HA2 GLY 18 HA1 GLY 18 43.504 18.993 -2.852 154 HA3 GLY 18 HA2 GLY 18 44.285 17.498 -2.289 155 H GLY 19 HN GLY 19 43.338 15.579 -3.946 156 HA2 GLY 19 HA1 GLY 19 44.883 16.036 -6.329 157 HA3 GLY 19 HA2 GLY 19 43.800 14.661 -6.024 158 H ALA 20 HN ALA 20 41.345 15.679 -5.812 159 HA ALA 20 HA ALA 20 39.574 16.300 -7.179 160 HB1 ALA 20 HB1 ALA 20 39.689 18.584 -8.070 161 HB2 ALA 20 HB2 ALA 20 41.451 18.601 -7.815 162 HB3 ALA 20 HB3 ALA 20 40.349 18.510 -6.419 163 H LEU 21 HN LEU 21 41.461 14.450 -8.350 164 HA LEU 21 HA LEU 21 41.955 15.266 -11.106 165 HB2 LEU 21 HB2 LEU 21 41.813 12.423 -10.040 166 HB3 LEU 21 HB1 LEU 21 42.729 13.025 -11.441 167 HG LEU 21 HG LEU 21 43.237 13.813 -8.536 168 HD11 LEU 21 HD11 LEU 21 43.842 11.462 -9.029 169 HD12 LEU 21 HD12 LEU 21 45.296 12.461 -8.790 170 HD13 LEU 21 HD13 LEU 21 44.792 11.999 -10.434 171 HD21 LEU 21 HD21 LEU 21 45.416 14.691 -9.646 172 HD22 LEU 21 HD22 LEU 21 43.936 15.639 -9.912 173 HD23 LEU 21 HD23 LEU 21 44.538 14.555 -11.190 174 H ASP 22 HN ASP 22 39.888 16.052 -11.769 175 HA ASP 22 HA ASP 22 37.778 15.835 -12.715 176 HB2 ASP 22 HB2 ASP 22 39.003 13.147 -13.438 177 HB3 ASP 22 HB1 ASP 22 37.452 13.730 -14.088 178 H HIS 23 HN HIS 23 37.389 15.698 -10.160 179 HA HIS 23 HA HIS 23 36.060 14.818 -8.472 180 HB2 HIS 23 HB2 HIS 23 34.633 13.595 -10.868 181 HB3 HIS 23 HB1 HIS 23 33.976 13.673 -9.215 182 HD1 HIS 23 HD1 HIS 23 33.270 15.290 -12.134 183 HD2 HIS 23 HD2 HIS 23 34.749 16.801 -8.498 184 HE1 HIS 23 HE1 HIS 23 32.681 17.774 -12.046 185 H LEU 24 HN LEU 24 38.338 13.502 -8.473 186 HA LEU 24 HA LEU 24 37.565 10.856 -7.551 187 HB2 LEU 24 HB2 LEU 24 37.789 10.759 -10.183 188 HB3 LEU 24 HB1 LEU 24 39.534 10.788 -9.858 189 HG LEU 24 HG LEU 24 37.539 8.775 -8.717 190 HD11 LEU 24 HD11 LEU 24 38.679 7.170 -10.197 191 HD12 LEU 24 HD12 LEU 24 39.755 8.457 -10.792 192 HD13 LEU 24 HD13 LEU 24 38.014 8.516 -11.152 193 HD21 LEU 24 HD21 LEU 24 39.263 8.970 -7.093 194 HD22 LEU 24 HD22 LEU 24 40.525 9.219 -8.324 195 HD23 LEU 24 HD23 LEU 24 39.798 7.610 -8.104 Start of MODEL 77 1 H1 GLY 1 HT1 GLY 1 64.324 5.558 4.862 2 H2 GLY 1 HT2 GLY 1 63.662 3.993 4.876 3 H3 GLY 1 HT3 GLY 1 63.345 5.066 6.156 4 HA2 GLY 1 HA1 GLY 1 62.306 6.566 4.485 5 HA3 GLY 1 HA2 GLY 1 62.386 5.178 3.383 6 H LYS 2 HN LYS 2 62.043 4.365 6.699 7 HA LYS 2 HA LYS 2 59.550 3.040 6.284 8 HB2 LYS 2 HB2 LYS 2 59.485 2.988 8.829 9 HB3 LYS 2 HB1 LYS 2 60.964 2.332 8.088 10 HG2 LYS 2 HG2 LYS 2 62.218 4.312 8.584 11 HG3 LYS 2 HG1 LYS 2 60.750 5.233 8.986 12 HD2 LYS 2 HD2 LYS 2 62.018 4.502 11.020 13 HD3 LYS 2 HD1 LYS 2 60.366 3.842 10.966 14 HE2 LYS 2 HE2 LYS 2 62.305 2.213 11.575 15 HE3 LYS 2 HE1 LYS 2 61.122 1.677 10.359 16 HZ1 LYS 2 HZ1 LYS 2 62.631 1.818 8.706 17 HZ2 LYS 2 HZ2 LYS 2 63.747 1.614 9.971 18 HZ3 LYS 2 HZ3 LYS 2 63.422 3.166 9.363 19 H GLY 3 HN GLY 3 57.825 3.620 8.262 20 HA2 GLY 3 HA1 GLY 3 56.808 5.868 9.163 21 HA3 GLY 3 HA2 GLY 3 56.736 6.340 7.403 22 H ARG 4 HN ARG 4 56.441 4.944 6.043 23 HA ARG 4 HA ARG 4 54.206 5.867 6.229 24 HB2 ARG 4 HB2 ARG 4 54.931 3.792 4.107 25 HB3 ARG 4 HB1 ARG 4 53.540 4.897 3.982 26 HG2 ARG 4 HG2 ARG 4 55.085 6.839 4.244 27 HG3 ARG 4 HG1 ARG 4 56.465 5.715 4.291 28 HD2 ARG 4 HD2 ARG 4 56.000 4.946 2.034 29 HD3 ARG 4 HD1 ARG 4 54.481 5.873 1.983 30 HE ARG 4 HE ARG 4 55.795 7.699 1.302 31 HH11 ARG 4 HH11 ARG 4 58.064 5.393 1.631 32 HH12 ARG 4 HH12 ARG 4 59.314 6.394 2.289 33 HH21 ARG 4 HH21 ARG 4 57.212 9.088 2.881 34 HH22 ARG 4 HH22 ARG 4 58.832 8.487 2.996 35 H TRP 5 HN TRP 5 55.088 3.068 7.457 36 HA TRP 5 HA TRP 5 53.227 1.026 7.194 37 HB2 TRP 5 HB2 TRP 5 55.159 1.095 8.817 38 HB3 TRP 5 HB1 TRP 5 54.142 2.069 9.904 39 HD1 TRP 5 HD1 TRP 5 51.993 0.887 10.966 40 HE1 TRP 5 HE1 TRP 5 51.398 -1.608 11.399 41 HE3 TRP 5 HE3 TRP 5 55.447 -1.309 7.892 42 HZ2 TRP 5 HZ2 TRP 5 52.321 -4.188 10.511 43 HZ3 TRP 5 HZ3 TRP 5 55.573 -3.789 7.702 44 HH2 TRP 5 HH2 TRP 5 54.014 -5.228 9.006 45 H LEU 6 HN LEU 6 52.613 4.234 8.310 46 HA LEU 6 HA LEU 6 49.826 3.464 9.158 47 HB2 LEU 6 HB2 LEU 6 51.439 4.544 10.871 48 HB3 LEU 6 HB1 LEU 6 51.293 6.020 9.894 49 HG LEU 6 HG LEU 6 48.677 5.599 10.135 50 HD11 LEU 6 HD11 LEU 6 49.826 4.016 12.480 51 HD12 LEU 6 HD12 LEU 6 48.738 3.410 11.209 52 HD13 LEU 6 HD13 LEU 6 48.148 4.597 12.392 53 HD21 LEU 6 HD21 LEU 6 50.394 6.542 12.476 54 HD22 LEU 6 HD22 LEU 6 48.671 6.922 12.236 55 HD23 LEU 6 HD23 LEU 6 49.886 7.533 11.087 56 H GLU 7 HN GLU 7 51.842 5.255 6.918 57 HA GLU 7 HA GLU 7 49.563 6.973 6.053 58 HB2 GLU 7 HB2 GLU 7 52.350 6.750 4.861 59 HB3 GLU 7 HB1 GLU 7 51.171 8.064 4.640 60 HG2 GLU 7 HG2 GLU 7 51.287 8.512 7.112 61 HG3 GLU 7 HG1 GLU 7 52.574 7.289 7.235 62 H ARG 8 HN ARG 8 49.735 3.915 5.770 63 HA ARG 8 HA ARG 8 50.166 3.133 3.110 64 HB2 ARG 8 HB2 ARG 8 48.014 2.241 5.065 65 HB3 ARG 8 HB1 ARG 8 48.371 1.414 3.531 66 HG2 ARG 8 HG2 ARG 8 50.670 0.983 4.242 67 HG3 ARG 8 HG1 ARG 8 50.422 1.930 5.729 68 HD2 ARG 8 HD2 ARG 8 48.790 0.337 6.555 69 HD3 ARG 8 HD1 ARG 8 48.793 -0.542 5.007 70 HE ARG 8 HE ARG 8 51.459 -0.550 5.956 71 HH11 ARG 8 HH11 ARG 8 48.379 -1.989 6.377 72 HH12 ARG 8 HH12 ARG 8 48.942 -3.217 7.461 73 HH21 ARG 8 HH21 ARG 8 52.186 -1.997 7.581 74 HH22 ARG 8 HH22 ARG 8 51.097 -3.222 8.143 75 H ILE 9 HN ILE 9 47.477 4.932 4.528 76 HA ILE 9 HA ILE 9 45.521 4.668 2.561 77 HB ILE 9 HB ILE 9 44.990 7.166 3.076 78 HG12 ILE 9 HG12 ILE 9 46.941 6.825 5.389 79 HG13 ILE 9 HG11 ILE 9 47.562 7.419 3.837 80 HG21 ILE 9 HG21 ILE 9 43.907 5.235 4.198 81 HG22 ILE 9 HG22 ILE 9 44.164 6.577 5.335 82 HG23 ILE 9 HG23 ILE 9 45.244 5.163 5.370 83 HD11 ILE 9 HD1 ILE 9 46.920 9.309 5.267 84 HD12 ILE 9 HD2 ILE 9 45.276 8.652 5.432 85 HD13 ILE 9 HD3 ILE 9 45.850 9.223 3.848 86 H GLY 10 HN GLY 10 45.516 4.876 0.475 87 HA2 GLY 10 HA1 GLY 10 47.687 6.136 -0.959 88 HA3 GLY 10 HA2 GLY 10 46.192 5.487 -1.661 89 H LYS 11 HN LYS 11 45.029 7.441 0.632 90 HA LYS 11 HA LYS 11 44.154 9.448 -1.199 91 HB2 LYS 11 HB2 LYS 11 44.348 9.560 1.836 92 HB3 LYS 11 HB1 LYS 11 43.393 10.665 0.814 93 HG2 LYS 11 HG2 LYS 11 42.208 8.591 -0.106 94 HG3 LYS 11 HG1 LYS 11 43.003 7.666 1.190 95 HD2 LYS 11 HD2 LYS 11 41.208 10.098 1.616 96 HD3 LYS 11 HD1 LYS 11 40.707 8.405 1.832 97 HE2 LYS 11 HE2 LYS 11 41.277 9.049 4.028 98 HE3 LYS 11 HE1 LYS 11 42.778 8.273 3.468 99 HZ1 LYS 11 HZ1 LYS 11 43.857 10.192 3.638 100 HZ2 LYS 11 HZ2 LYS 11 42.495 10.839 4.421 101 HZ3 LYS 11 HZ3 LYS 11 42.686 11.032 2.744 102 H ALA 12 HN ALA 12 45.737 10.500 -2.315 103 HA ALA 12 HA ALA 12 48.198 11.420 -1.278 104 HB1 ALA 12 HB1 ALA 12 47.440 11.351 -3.697 105 HB2 ALA 12 HB2 ALA 12 48.316 12.823 -3.212 106 HB3 ALA 12 HB3 ALA 12 46.543 12.854 -3.377 107 H GLY 13 HN GLY 13 45.081 12.338 -0.376 108 HA2 GLY 13 HA1 GLY 13 44.304 14.045 0.976 109 HA3 GLY 13 HA2 GLY 13 45.993 14.329 1.446 110 H PHE 14 HN PHE 14 45.793 14.475 -1.868 111 HA PHE 14 HA PHE 14 46.038 17.416 -1.815 112 HB2 PHE 14 HB2 PHE 14 47.229 15.441 -3.310 113 HB3 PHE 14 HB1 PHE 14 45.961 15.947 -4.441 114 HD1 PHE 14 HD1 PHE 14 45.782 18.889 -3.650 115 HD2 PHE 14 HD2 PHE 14 49.185 16.328 -4.361 116 HE1 PHE 14 HE1 PHE 14 47.147 20.875 -4.278 117 HE2 PHE 14 HE2 PHE 14 50.548 18.316 -4.987 118 HZ PHE 14 HZ PHE 14 49.514 20.583 -4.996 119 H ILE 15 HN ILE 15 44.184 15.236 -3.998 120 HA ILE 15 HA ILE 15 41.666 16.599 -3.380 121 HB ILE 15 HB ILE 15 41.260 17.296 -5.790 122 HG12 ILE 15 HG12 ILE 15 44.276 16.842 -5.951 123 HG13 ILE 15 HG11 ILE 15 43.025 15.937 -6.834 124 HG21 ILE 15 HG21 ILE 15 42.265 19.441 -5.539 125 HG22 ILE 15 HG22 ILE 15 43.636 18.787 -4.616 126 HG23 ILE 15 HG23 ILE 15 42.020 18.863 -3.876 127 HD11 ILE 15 HD1 ILE 15 43.853 18.839 -7.182 128 HD12 ILE 15 HD2 ILE 15 42.290 18.236 -7.789 129 HD13 ILE 15 HD3 ILE 15 43.810 17.545 -8.401 130 H ILE 16 HN ILE 16 42.402 14.022 -3.036 131 HA ILE 16 HA ILE 16 41.552 12.397 -5.336 132 HB ILE 16 HB ILE 16 41.983 11.703 -2.405 133 HG12 ILE 16 HG12 ILE 16 44.052 12.526 -3.377 134 HG13 ILE 16 HG11 ILE 16 44.173 10.765 -3.209 135 HG21 ILE 16 HG21 ILE 16 41.275 10.055 -4.847 136 HG22 ILE 16 HG22 ILE 16 40.732 9.883 -3.166 137 HG23 ILE 16 HG23 ILE 16 42.358 9.335 -3.630 138 HD11 ILE 16 HD1 ILE 16 45.013 11.119 -5.379 139 HD12 ILE 16 HD2 ILE 16 43.858 12.424 -5.726 140 HD13 ILE 16 HD3 ILE 16 43.311 10.734 -5.709 141 H ILE 17 HN ILE 17 40.346 12.583 -1.963 142 HA ILE 17 HA ILE 17 37.670 11.732 -2.867 143 HB ILE 17 HB ILE 17 37.175 12.232 -0.296 144 HG12 ILE 17 HG12 ILE 17 39.151 12.140 1.130 145 HG13 ILE 17 HG11 ILE 17 40.222 11.999 -0.280 146 HG21 ILE 17 HG21 ILE 17 38.204 10.015 0.297 147 HG22 ILE 17 HG22 ILE 17 39.045 10.028 -1.272 148 HG23 ILE 17 HG23 ILE 17 37.267 9.976 -1.215 149 HD11 ILE 17 HD1 ILE 17 40.012 14.334 0.795 150 HD12 ILE 17 HD2 ILE 17 38.371 14.383 0.111 151 HD13 ILE 17 HD3 ILE 17 39.784 14.245 -0.964 152 H GLY 18 HN GLY 18 39.269 14.577 -3.068 153 HA2 GLY 18 HA1 GLY 18 36.912 16.282 -2.332 154 HA3 GLY 18 HA2 GLY 18 38.569 16.842 -2.636 155 H GLY 19 HN GLY 19 39.406 16.337 -4.909 156 HA2 GLY 19 HA1 GLY 19 37.467 17.508 -6.780 157 HA3 GLY 19 HA2 GLY 19 39.173 17.132 -7.096 158 H ALA 20 HN ALA 20 39.117 14.398 -6.279 159 HA ALA 20 HA ALA 20 38.834 12.349 -7.332 160 HB1 ALA 20 HB1 ALA 20 36.710 12.373 -6.227 161 HB2 ALA 20 HB2 ALA 20 36.427 11.793 -7.886 162 HB3 ALA 20 HB3 ALA 20 36.018 13.469 -7.444 163 H LEU 21 HN LEU 21 39.119 15.032 -9.007 164 HA LEU 21 HA LEU 21 39.223 15.588 -11.264 165 HB2 LEU 21 HB2 LEU 21 39.696 12.612 -11.659 166 HB3 LEU 21 HB1 LEU 21 40.275 13.945 -12.680 167 HG LEU 21 HG LEU 21 41.070 13.531 -9.760 168 HD11 LEU 21 HD11 LEU 21 41.889 11.732 -11.305 169 HD12 LEU 21 HD12 LEU 21 43.205 12.725 -10.634 170 HD13 LEU 21 HD13 LEU 21 42.657 12.987 -12.307 171 HD21 LEU 21 HD21 LEU 21 41.331 15.848 -10.284 172 HD22 LEU 21 HD22 LEU 21 41.889 15.500 -11.938 173 HD23 LEU 21 HD23 LEU 21 42.945 15.151 -10.549 174 H ASP 22 HN ASP 22 36.901 16.061 -11.206 175 HA ASP 22 HA ASP 22 35.582 14.896 -13.472 176 HB2 ASP 22 HB2 ASP 22 33.624 13.897 -12.209 177 HB3 ASP 22 HB1 ASP 22 35.136 12.964 -12.103 178 H HIS 23 HN HIS 23 36.314 17.411 -11.954 179 HA HIS 23 HA HIS 23 35.390 19.503 -11.601 180 HB2 HIS 23 HB2 HIS 23 34.615 19.066 -13.969 181 HB3 HIS 23 HB1 HIS 23 33.068 18.503 -13.294 182 HD1 HIS 23 HD1 HIS 23 35.354 21.588 -12.941 183 HD2 HIS 23 HD2 HIS 23 31.275 20.569 -12.921 184 HE1 HIS 23 HE1 HIS 23 34.026 23.765 -12.770 185 H LEU 24 HN LEU 24 34.798 17.333 -9.722 186 HA LEU 24 HA LEU 24 32.049 17.441 -8.907 187 HB2 LEU 24 HB2 LEU 24 34.051 15.852 -8.200 188 HB3 LEU 24 HB1 LEU 24 34.306 17.053 -6.917 189 HG LEU 24 HG LEU 24 31.741 15.490 -7.475 190 HD11 LEU 24 HD11 LEU 24 33.700 15.482 -5.134 191 HD12 LEU 24 HD12 LEU 24 33.530 14.200 -6.357 192 HD13 LEU 24 HD13 LEU 24 32.196 14.536 -5.227 193 HD21 LEU 24 HD21 LEU 24 31.017 17.635 -6.708 194 HD22 LEU 24 HD22 LEU 24 32.373 17.775 -5.562 195 HD23 LEU 24 HD23 LEU 24 31.052 16.626 -5.244 Start of MODEL 78 1 H1 GLY 1 HT1 GLY 1 60.227 -2.995 6.520 2 H2 GLY 1 HT2 GLY 1 58.580 -2.786 6.885 3 H3 GLY 1 HT3 GLY 1 59.757 -2.559 8.090 4 HA2 GLY 1 HA1 GLY 1 60.466 -0.592 7.269 5 HA3 GLY 1 HA2 GLY 1 59.845 -0.965 5.649 6 H LYS 2 HN LYS 2 58.334 -1.096 8.899 7 HA LYS 2 HA LYS 2 55.802 -0.175 8.073 8 HB2 LYS 2 HB2 LYS 2 55.511 0.516 10.476 9 HB3 LYS 2 HB1 LYS 2 56.133 -1.140 10.272 10 HG2 LYS 2 HG2 LYS 2 58.441 -0.326 10.640 11 HG3 LYS 2 HG1 LYS 2 57.827 1.333 10.837 12 HD2 LYS 2 HD2 LYS 2 56.372 0.466 12.734 13 HD3 LYS 2 HD1 LYS 2 57.258 -1.074 12.615 14 HE2 LYS 2 HE2 LYS 2 58.318 1.664 13.388 15 HE3 LYS 2 HE1 LYS 2 58.430 0.133 14.290 16 HZ1 LYS 2 HZ1 LYS 2 59.750 0.668 11.674 17 HZ2 LYS 2 HZ2 LYS 2 59.915 -0.731 12.624 18 HZ3 LYS 2 HZ3 LYS 2 60.521 0.754 13.182 19 H GLY 3 HN GLY 3 54.973 1.989 9.394 20 HA2 GLY 3 HA1 GLY 3 55.696 4.409 9.730 21 HA3 GLY 3 HA2 GLY 3 56.600 4.285 8.152 22 H ARG 4 HN ARG 4 55.837 3.193 6.691 23 HA ARG 4 HA ARG 4 55.201 5.419 5.971 24 HB2 ARG 4 HB2 ARG 4 54.726 2.972 4.201 25 HB3 ARG 4 HB1 ARG 4 54.856 4.642 3.595 26 HG2 ARG 4 HG2 ARG 4 57.109 4.846 4.574 27 HG3 ARG 4 HG1 ARG 4 56.985 3.199 5.239 28 HD2 ARG 4 HD2 ARG 4 56.882 2.235 3.012 29 HD3 ARG 4 HD1 ARG 4 56.767 3.849 2.269 30 HE ARG 4 HE ARG 4 59.111 4.062 2.516 31 HH11 ARG 4 HH11 ARG 4 59.515 1.189 2.233 32 HH12 ARG 4 HH12 ARG 4 60.338 0.745 3.690 33 HH21 ARG 4 HH21 ARG 4 59.462 3.644 5.382 34 HH22 ARG 4 HH22 ARG 4 60.307 2.134 5.474 35 H TRP 5 HN TRP 5 53.183 3.305 7.237 36 HA TRP 5 HA TRP 5 50.675 3.236 6.038 37 HB2 TRP 5 HB2 TRP 5 51.203 2.276 8.269 38 HB3 TRP 5 HB1 TRP 5 51.170 3.913 8.964 39 HD1 TRP 5 HD1 TRP 5 48.896 4.806 9.705 40 HE1 TRP 5 HE1 TRP 5 46.417 4.061 9.466 41 HE3 TRP 5 HE3 TRP 5 49.535 0.914 6.442 42 HZ2 TRP 5 HZ2 TRP 5 44.942 2.043 8.037 43 HZ3 TRP 5 HZ3 TRP 5 47.578 -0.409 5.654 44 HH2 TRP 5 HH2 TRP 5 45.283 0.151 6.448 45 H LEU 6 HN LEU 6 52.393 6.053 7.051 46 HA LEU 6 HA LEU 6 49.936 7.762 6.679 47 HB2 LEU 6 HB2 LEU 6 52.546 8.358 8.141 48 HB3 LEU 6 HB1 LEU 6 51.210 9.504 7.899 49 HG LEU 6 HG LEU 6 49.782 7.468 9.018 50 HD11 LEU 6 HD11 LEU 6 51.981 6.120 9.197 51 HD12 LEU 6 HD12 LEU 6 50.994 6.243 10.669 52 HD13 LEU 6 HD13 LEU 6 52.445 7.256 10.481 53 HD21 LEU 6 HD21 LEU 6 49.837 9.760 9.891 54 HD22 LEU 6 HD22 LEU 6 51.475 9.504 10.540 55 HD23 LEU 6 HD23 LEU 6 50.096 8.612 11.227 56 H GLU 7 HN GLU 7 53.132 6.907 5.472 57 HA GLU 7 HA GLU 7 53.282 9.391 3.828 58 HB2 GLU 7 HB2 GLU 7 55.294 8.331 4.972 59 HB3 GLU 7 HB1 GLU 7 55.138 6.979 3.827 60 HG2 GLU 7 HG2 GLU 7 55.549 8.410 1.935 61 HG3 GLU 7 HG1 GLU 7 55.381 9.881 2.924 62 H ARG 8 HN ARG 8 51.752 6.417 3.687 63 HA ARG 8 HA ARG 8 52.210 5.762 0.895 64 HB2 ARG 8 HB2 ARG 8 51.432 4.099 2.555 65 HB3 ARG 8 HB1 ARG 8 49.911 5.004 2.743 66 HG2 ARG 8 HG2 ARG 8 49.289 4.595 0.447 67 HG3 ARG 8 HG1 ARG 8 50.897 3.933 0.067 68 HD2 ARG 8 HD2 ARG 8 48.920 2.720 2.048 69 HD3 ARG 8 HD1 ARG 8 49.210 2.131 0.394 70 HE ARG 8 HE ARG 8 51.691 2.268 1.863 71 HH11 ARG 8 HH11 ARG 8 48.776 0.491 1.383 72 HH12 ARG 8 HH12 ARG 8 49.434 -1.002 1.965 73 HH21 ARG 8 HH21 ARG 8 52.551 0.341 2.677 74 HH22 ARG 8 HH22 ARG 8 51.571 -1.087 2.698 75 H ILE 9 HN ILE 9 50.859 6.071 -0.888 76 HA ILE 9 HA ILE 9 49.720 8.628 -1.156 77 HB ILE 9 HB ILE 9 50.279 7.392 -3.145 78 HG12 ILE 9 HG12 ILE 9 48.279 7.630 -4.500 79 HG13 ILE 9 HG11 ILE 9 47.226 7.504 -3.075 80 HG21 ILE 9 HG21 ILE 9 49.756 5.112 -2.041 81 HG22 ILE 9 HG22 ILE 9 49.400 5.279 -3.773 82 HG23 ILE 9 HG23 ILE 9 48.083 5.364 -2.586 83 HD11 ILE 9 HD1 ILE 9 49.334 9.686 -3.288 84 HD12 ILE 9 HD2 ILE 9 47.885 9.634 -2.254 85 HD13 ILE 9 HD3 ILE 9 47.718 9.881 -4.007 86 H GLY 10 HN GLY 10 48.319 9.298 0.386 87 HA2 GLY 10 HA1 GLY 10 45.571 8.641 0.111 88 HA3 GLY 10 HA2 GLY 10 46.214 7.706 1.476 89 H LYS 11 HN LYS 11 47.478 10.855 0.554 90 HA LYS 11 HA LYS 11 47.400 11.973 3.115 91 HB2 LYS 11 HB2 LYS 11 48.569 12.938 1.132 92 HB3 LYS 11 HB1 LYS 11 46.992 13.464 0.492 93 HG2 LYS 11 HG2 LYS 11 46.623 14.924 2.382 94 HG3 LYS 11 HG1 LYS 11 48.032 14.259 3.243 95 HD2 LYS 11 HD2 LYS 11 49.526 15.125 1.455 96 HD3 LYS 11 HD1 LYS 11 48.113 15.814 0.618 97 HE2 LYS 11 HE2 LYS 11 48.857 16.506 3.490 98 HE3 LYS 11 HE1 LYS 11 49.396 17.454 2.084 99 HZ1 LYS 11 HZ1 LYS 11 46.587 16.926 2.915 100 HZ2 LYS 11 HZ2 LYS 11 47.027 17.688 1.461 101 HZ3 LYS 11 HZ3 LYS 11 47.399 18.414 2.951 102 H ALA 12 HN ALA 12 44.773 11.332 0.971 103 HA ALA 12 HA ALA 12 42.852 12.308 2.960 104 HB1 ALA 12 HB1 ALA 12 42.885 13.593 0.207 105 HB2 ALA 12 HB2 ALA 12 43.452 14.387 1.697 106 HB3 ALA 12 HB3 ALA 12 41.741 13.921 1.532 107 H GLY 13 HN GLY 13 43.878 10.452 0.335 108 HA2 GLY 13 HA1 GLY 13 42.497 8.325 0.144 109 HA3 GLY 13 HA2 GLY 13 41.101 9.382 -0.151 110 H PHE 14 HN PHE 14 44.492 9.127 -1.296 111 HA PHE 14 HA PHE 14 45.343 9.004 -3.438 112 HB2 PHE 14 HB2 PHE 14 43.390 7.290 -3.687 113 HB3 PHE 14 HB1 PHE 14 42.551 8.586 -4.566 114 HD1 PHE 14 HD1 PHE 14 45.636 6.473 -4.512 115 HD2 PHE 14 HD2 PHE 14 43.183 9.182 -6.811 116 HE1 PHE 14 HE1 PHE 14 46.945 5.922 -6.558 117 HE2 PHE 14 HE2 PHE 14 44.493 8.629 -8.858 118 HZ PHE 14 HZ PHE 14 46.367 6.991 -8.733 119 H ILE 15 HN ILE 15 44.075 11.445 -2.157 120 HA ILE 15 HA ILE 15 43.798 13.653 -2.716 121 HB ILE 15 HB ILE 15 44.885 13.006 -5.486 122 HG12 ILE 15 HG12 ILE 15 46.418 13.494 -2.889 123 HG13 ILE 15 HG11 ILE 15 46.354 11.961 -3.788 124 HG21 ILE 15 HG21 ILE 15 45.289 15.466 -3.738 125 HG22 ILE 15 HG22 ILE 15 43.945 15.313 -4.893 126 HG23 ILE 15 HG23 ILE 15 45.622 15.289 -5.478 127 HD11 ILE 15 HD1 ILE 15 47.682 14.572 -4.584 128 HD12 ILE 15 HD2 ILE 15 47.255 13.351 -5.809 129 HD13 ILE 15 HD3 ILE 15 48.391 12.943 -4.500 130 H ILE 16 HN ILE 16 41.564 12.734 -2.599 131 HA ILE 16 HA ILE 16 40.088 13.547 -5.087 132 HB ILE 16 HB ILE 16 39.441 11.242 -3.209 133 HG12 ILE 16 HG12 ILE 16 41.330 10.925 -4.977 134 HG13 ILE 16 HG11 ILE 16 40.039 9.716 -4.913 135 HG21 ILE 16 HG21 ILE 16 37.969 12.410 -5.610 136 HG22 ILE 16 HG22 ILE 16 37.376 12.255 -3.941 137 HG23 ILE 16 HG23 ILE 16 37.606 10.803 -4.938 138 HD11 ILE 16 HD1 ILE 16 38.963 10.622 -6.867 139 HD12 ILE 16 HD2 ILE 16 40.694 10.505 -7.250 140 HD13 ILE 16 HD3 ILE 16 39.981 12.078 -6.843 141 H ILE 17 HN ILE 17 39.904 12.784 -1.589 142 HA ILE 17 HA ILE 17 37.572 14.479 -1.174 143 HB ILE 17 HB ILE 17 39.596 13.212 0.734 144 HG12 ILE 17 HG12 ILE 17 37.649 11.818 1.365 145 HG13 ILE 17 HG11 ILE 17 36.631 12.703 0.208 146 HG21 ILE 17 HG21 ILE 17 37.220 15.029 1.313 147 HG22 ILE 17 HG22 ILE 17 38.895 15.193 1.893 148 HG23 ILE 17 HG23 ILE 17 37.861 13.890 2.521 149 HD11 ILE 17 HD1 ILE 17 37.725 11.774 -1.664 150 HD12 ILE 17 HD2 ILE 17 37.683 10.410 -0.526 151 HD13 ILE 17 HD3 ILE 17 39.180 11.348 -0.733 152 H GLY 18 HN GLY 18 41.090 14.741 -0.628 153 HA2 GLY 18 HA1 GLY 18 40.926 17.478 0.339 154 HA3 GLY 18 HA2 GLY 18 42.397 16.596 -0.123 155 H GLY 19 HN GLY 19 41.869 15.896 -2.738 156 HA2 GLY 19 HA1 GLY 19 42.462 18.375 -4.083 157 HA3 GLY 19 HA2 GLY 19 42.138 16.810 -4.852 158 H ALA 20 HN ALA 20 39.636 16.161 -4.368 159 HA ALA 20 HA ALA 20 37.509 16.584 -5.210 160 HB1 ALA 20 HB1 ALA 20 36.416 18.608 -4.303 161 HB2 ALA 20 HB2 ALA 20 38.005 19.225 -3.791 162 HB3 ALA 20 HB3 ALA 20 37.347 17.743 -3.057 163 H LEU 21 HN LEU 21 40.048 17.671 -6.670 164 HA LEU 21 HA LEU 21 38.916 19.878 -8.268 165 HB2 LEU 21 HB2 LEU 21 41.406 19.503 -7.589 166 HB3 LEU 21 HB1 LEU 21 41.434 18.300 -8.894 167 HG LEU 21 HG LEU 21 40.383 20.266 -10.354 168 HD11 LEU 21 HD11 LEU 21 41.731 21.776 -8.065 169 HD12 LEU 21 HD12 LEU 21 40.028 21.896 -8.566 170 HD13 LEU 21 HD13 LEU 21 41.314 22.496 -9.635 171 HD21 LEU 21 HD21 LEU 21 43.300 20.250 -9.456 172 HD22 LEU 21 HD22 LEU 21 42.682 21.041 -10.927 173 HD23 LEU 21 HD23 LEU 21 42.596 19.271 -10.765 174 H ASP 22 HN ASP 22 38.794 16.467 -8.256 175 HA ASP 22 HA ASP 22 38.640 16.080 -11.143 176 HB2 ASP 22 HB2 ASP 22 37.875 13.817 -10.559 177 HB3 ASP 22 HB1 ASP 22 39.295 14.268 -9.586 178 H HIS 23 HN HIS 23 36.949 18.220 -10.201 179 HA HIS 23 HA HIS 23 34.766 18.976 -10.401 180 HB2 HIS 23 HB2 HIS 23 35.241 18.151 -12.741 181 HB3 HIS 23 HB1 HIS 23 34.443 16.622 -12.303 182 HD1 HIS 23 HD1 HIS 23 33.743 20.366 -12.630 183 HD2 HIS 23 HD2 HIS 23 31.633 16.751 -12.229 184 HE1 HIS 23 HE1 HIS 23 31.274 20.877 -13.036 185 H LEU 24 HN LEU 24 35.399 16.912 -8.346 186 HA LEU 24 HA LEU 24 33.261 15.029 -8.149 187 HB2 LEU 24 HB2 LEU 24 35.501 15.352 -6.757 188 HB3 LEU 24 HB1 LEU 24 34.467 16.319 -5.683 189 HG LEU 24 HG LEU 24 34.054 13.403 -6.493 190 HD11 LEU 24 HD11 LEU 24 35.792 13.830 -4.767 191 HD12 LEU 24 HD12 LEU 24 34.381 12.991 -4.081 192 HD13 LEU 24 HD13 LEU 24 34.603 14.735 -3.802 193 HD21 LEU 24 HD21 LEU 24 31.854 14.335 -6.342 194 HD22 LEU 24 HD22 LEU 24 32.296 15.361 -4.955 195 HD23 LEU 24 HD23 LEU 24 32.149 13.600 -4.751 Start of MODEL 79 1 H1 GLY 1 HT1 GLY 1 60.069 4.647 -1.993 2 H2 GLY 1 HT2 GLY 1 58.487 4.360 -2.543 3 H3 GLY 1 HT3 GLY 1 59.775 4.438 -3.649 4 HA2 GLY 1 HA1 GLY 1 59.128 2.191 -3.319 5 HA3 GLY 1 HA2 GLY 1 60.759 2.491 -2.688 6 H LYS 2 HN LYS 2 59.127 4.123 -0.515 7 HA LYS 2 HA LYS 2 57.825 2.008 1.014 8 HB2 LYS 2 HB2 LYS 2 59.481 2.074 2.909 9 HB3 LYS 2 HB1 LYS 2 60.097 1.280 1.439 10 HG2 LYS 2 HG2 LYS 2 61.244 3.369 0.779 11 HG3 LYS 2 HG1 LYS 2 60.618 4.179 2.236 12 HD2 LYS 2 HD2 LYS 2 61.817 2.565 3.669 13 HD3 LYS 2 HD1 LYS 2 62.424 1.720 2.224 14 HE2 LYS 2 HE2 LYS 2 63.597 3.772 1.500 15 HE3 LYS 2 HE1 LYS 2 62.981 4.635 2.930 16 HZ1 LYS 2 HZ1 LYS 2 64.686 2.196 3.012 17 HZ2 LYS 2 HZ2 LYS 2 64.152 3.099 4.349 18 HZ3 LYS 2 HZ3 LYS 2 65.246 3.781 3.240 19 H GLY 3 HN GLY 3 57.702 2.868 3.465 20 HA2 GLY 3 HA1 GLY 3 57.670 5.172 4.666 21 HA3 GLY 3 HA2 GLY 3 56.738 5.766 3.214 22 H ARG 4 HN ARG 4 55.520 4.502 2.288 23 HA ARG 4 HA ARG 4 53.937 5.787 3.604 24 HB2 ARG 4 HB2 ARG 4 53.017 3.726 1.540 25 HB3 ARG 4 HB1 ARG 4 52.015 5.083 2.117 26 HG2 ARG 4 HG2 ARG 4 53.687 6.700 1.343 27 HG3 ARG 4 HG1 ARG 4 54.777 5.380 0.853 28 HD2 ARG 4 HD2 ARG 4 53.246 4.640 -0.860 29 HD3 ARG 4 HD1 ARG 4 51.964 5.718 -0.261 30 HE ARG 4 HE ARG 4 54.337 7.211 -1.010 31 HH11 ARG 4 HH11 ARG 4 51.977 8.565 -1.668 32 HH12 ARG 4 HH12 ARG 4 51.662 8.197 -3.331 33 HH21 ARG 4 HH21 ARG 4 53.753 5.430 -3.388 34 HH22 ARG 4 HH22 ARG 4 52.669 6.422 -4.304 35 H TRP 5 HN TRP 5 54.845 2.821 4.305 36 HA TRP 5 HA TRP 5 52.811 1.149 5.186 37 HB2 TRP 5 HB2 TRP 5 55.221 0.681 5.502 38 HB3 TRP 5 HB1 TRP 5 55.281 1.886 6.810 39 HD1 TRP 5 HD1 TRP 5 52.852 -1.056 6.030 40 HE1 TRP 5 HE1 TRP 5 52.514 -2.454 8.195 41 HE3 TRP 5 HE3 TRP 5 55.938 1.558 9.173 42 HZ2 TRP 5 HZ2 TRP 5 53.471 -2.419 10.908 43 HZ3 TRP 5 HZ3 TRP 5 56.211 0.855 11.546 44 HH2 TRP 5 HH2 TRP 5 54.980 -1.130 12.415 45 H LEU 6 HN LEU 6 53.456 4.350 6.291 46 HA LEU 6 HA LEU 6 51.494 4.028 8.560 47 HB2 LEU 6 HB2 LEU 6 53.544 6.244 8.200 48 HB3 LEU 6 HB1 LEU 6 52.564 5.888 9.639 49 HG LEU 6 HG LEU 6 54.671 4.017 8.460 50 HD11 LEU 6 HD11 LEU 6 55.677 6.065 9.402 51 HD12 LEU 6 HD12 LEU 6 56.007 4.666 10.453 52 HD13 LEU 6 HD13 LEU 6 54.748 5.842 10.905 53 HD21 LEU 6 HD21 LEU 6 53.078 2.684 9.646 54 HD22 LEU 6 HD22 LEU 6 52.865 3.916 10.914 55 HD23 LEU 6 HD23 LEU 6 54.375 2.978 10.826 56 H GLU 7 HN GLU 7 52.235 5.554 5.488 57 HA GLU 7 HA GLU 7 50.124 7.625 5.887 58 HB2 GLU 7 HB2 GLU 7 52.433 7.939 4.686 59 HB3 GLU 7 HB1 GLU 7 51.665 7.104 3.317 60 HG2 GLU 7 HG2 GLU 7 49.855 8.799 3.295 61 HG3 GLU 7 HG1 GLU 7 50.596 9.617 4.689 62 H ARG 8 HN ARG 8 49.442 4.770 5.921 63 HA ARG 8 HA ARG 8 48.429 3.774 3.503 64 HB2 ARG 8 HB2 ARG 8 47.203 3.599 6.283 65 HB3 ARG 8 HB1 ARG 8 46.767 2.564 4.902 66 HG2 ARG 8 HG2 ARG 8 49.187 1.867 4.745 67 HG3 ARG 8 HG1 ARG 8 49.495 2.773 6.246 68 HD2 ARG 8 HD2 ARG 8 47.468 0.513 5.955 69 HD3 ARG 8 HD1 ARG 8 49.087 0.347 6.677 70 HE ARG 8 HE ARG 8 47.732 2.472 8.012 71 HH11 ARG 8 HH11 ARG 8 48.681 1.008 10.027 72 HH12 ARG 8 HH12 ARG 8 47.489 -0.164 10.479 73 HH21 ARG 8 HH21 ARG 8 45.705 0.120 7.519 74 HH22 ARG 8 HH22 ARG 8 45.803 -0.667 9.059 75 H ILE 9 HN ILE 9 46.467 5.539 5.956 76 HA ILE 9 HA ILE 9 44.197 5.887 4.352 77 HB ILE 9 HB ILE 9 44.094 6.443 6.699 78 HG12 ILE 9 HG12 ILE 9 42.968 8.603 6.664 79 HG13 ILE 9 HG11 ILE 9 43.798 9.072 5.167 80 HG21 ILE 9 HG21 ILE 9 45.384 8.095 7.798 81 HG22 ILE 9 HG22 ILE 9 45.868 8.876 6.279 82 HG23 ILE 9 HG23 ILE 9 46.550 7.297 6.724 83 HD11 ILE 9 HD1 ILE 9 42.076 6.569 5.278 84 HD12 ILE 9 HD2 ILE 9 42.568 7.523 3.857 85 HD13 ILE 9 HD3 ILE 9 41.357 8.171 4.986 86 H GLY 10 HN GLY 10 44.403 6.442 2.257 87 HA2 GLY 10 HA1 GLY 10 46.160 8.658 1.447 88 HA3 GLY 10 HA2 GLY 10 45.128 7.668 0.398 89 H LYS 11 HN LYS 11 42.639 8.025 1.625 90 HA LYS 11 HA LYS 11 41.803 10.456 0.433 91 HB2 LYS 11 HB2 LYS 11 40.477 8.879 2.674 92 HB3 LYS 11 HB1 LYS 11 39.687 10.116 1.668 93 HG2 LYS 11 HG2 LYS 11 40.079 8.784 -0.350 94 HG3 LYS 11 HG1 LYS 11 40.989 7.577 0.592 95 HD2 LYS 11 HD2 LYS 11 38.969 7.080 1.928 96 HD3 LYS 11 HD1 LYS 11 38.053 8.298 1.005 97 HE2 LYS 11 HE2 LYS 11 37.555 6.150 0.023 98 HE3 LYS 11 HE1 LYS 11 38.645 6.997 -1.102 99 HZ1 LYS 11 HZ1 LYS 11 40.456 5.711 -0.412 100 HZ2 LYS 11 HZ2 LYS 11 39.183 4.591 -0.540 101 HZ3 LYS 11 HZ3 LYS 11 39.671 5.157 0.985 102 H ALA 12 HN ALA 12 42.596 12.390 0.993 103 HA ALA 12 HA ALA 12 43.408 13.009 3.704 104 HB1 ALA 12 HB1 ALA 12 42.770 14.884 1.402 105 HB2 ALA 12 HB2 ALA 12 44.342 14.090 1.666 106 HB3 ALA 12 HB3 ALA 12 43.726 15.268 2.853 107 H GLY 13 HN GLY 13 40.430 12.431 2.473 108 HA2 GLY 13 HA1 GLY 13 38.275 13.149 2.988 109 HA3 GLY 13 HA2 GLY 13 38.917 13.174 4.641 110 H PHE 14 HN PHE 14 39.952 15.302 1.993 111 HA PHE 14 HA PHE 14 38.249 17.506 2.801 112 HB2 PHE 14 HB2 PHE 14 39.740 17.465 4.769 113 HB3 PHE 14 HB1 PHE 14 41.157 17.598 3.701 114 HD1 PHE 14 HD1 PHE 14 37.822 19.315 4.237 115 HD2 PHE 14 HD2 PHE 14 42.036 19.768 3.388 116 HE1 PHE 14 HE1 PHE 14 37.559 21.790 4.223 117 HE2 PHE 14 HE2 PHE 14 41.763 22.242 3.373 118 HZ PHE 14 HZ PHE 14 39.513 23.249 3.722 119 H ILE 15 HN ILE 15 40.661 16.008 0.891 120 HA ILE 15 HA ILE 15 40.239 17.978 -1.236 121 HB ILE 15 HB ILE 15 42.737 18.313 -1.612 122 HG12 ILE 15 HG12 ILE 15 42.836 17.250 1.250 123 HG13 ILE 15 HG11 ILE 15 43.531 16.462 -0.184 124 HG21 ILE 15 HG21 ILE 15 42.869 20.213 -0.171 125 HG22 ILE 15 HG22 ILE 15 41.830 19.456 1.058 126 HG23 ILE 15 HG23 ILE 15 41.134 19.997 -0.487 127 HD11 ILE 15 HD1 ILE 15 44.869 18.673 -0.509 128 HD12 ILE 15 HD2 ILE 15 45.374 17.584 0.804 129 HD13 ILE 15 HD3 ILE 15 44.409 19.031 1.174 130 H ILE 16 HN ILE 16 39.364 15.484 -1.242 131 HA ILE 16 HA ILE 16 41.114 14.214 -3.296 132 HB ILE 16 HB ILE 16 41.614 13.173 -1.042 133 HG12 ILE 16 HG12 ILE 16 41.238 10.794 -1.848 134 HG13 ILE 16 HG11 ILE 16 40.266 11.450 -3.182 135 HG21 ILE 16 HG21 ILE 16 39.956 11.886 0.103 136 HG22 ILE 16 HG22 ILE 16 38.810 12.017 -1.251 137 HG23 ILE 16 HG23 ILE 16 39.184 13.448 -0.259 138 HD11 ILE 16 HD1 ILE 16 42.130 12.359 -4.278 139 HD12 ILE 16 HD2 ILE 16 42.876 10.941 -3.510 140 HD13 ILE 16 HD3 ILE 16 43.063 12.547 -2.774 141 H ILE 17 HN ILE 17 38.006 14.222 -1.516 142 HA ILE 17 HA ILE 17 36.585 12.667 -3.458 143 HB ILE 17 HB ILE 17 34.548 13.415 -2.445 144 HG12 ILE 17 HG12 ILE 17 34.783 15.818 -2.446 145 HG13 ILE 17 HG11 ILE 17 34.537 15.329 -0.762 146 HG21 ILE 17 HG21 ILE 17 36.849 13.092 -0.492 147 HG22 ILE 17 HG22 ILE 17 35.627 11.907 -0.986 148 HG23 ILE 17 HG23 ILE 17 35.174 13.257 0.075 149 HD11 ILE 17 HD1 ILE 17 37.143 16.160 -2.100 150 HD12 ILE 17 HD2 ILE 17 37.086 15.387 -0.499 151 HD13 ILE 17 HD3 ILE 17 36.300 16.955 -0.756 152 H GLY 18 HN GLY 18 38.127 15.555 -3.865 153 HA2 GLY 18 HA1 GLY 18 37.062 16.013 -6.454 154 HA3 GLY 18 HA2 GLY 18 36.243 17.113 -5.330 155 H GLY 19 HN GLY 19 39.017 16.760 -3.773 156 HA2 GLY 19 HA1 GLY 19 40.039 19.312 -4.601 157 HA3 GLY 19 HA2 GLY 19 40.843 18.158 -3.521 158 H ALA 20 HN ALA 20 40.897 15.969 -5.421 159 HA ALA 20 HA ALA 20 43.366 16.695 -6.768 160 HB1 ALA 20 HB1 ALA 20 43.220 14.389 -7.689 161 HB2 ALA 20 HB2 ALA 20 41.599 14.234 -6.970 162 HB3 ALA 20 HB3 ALA 20 43.023 14.443 -5.922 163 H LEU 21 HN LEU 21 40.073 17.082 -7.544 164 HA LEU 21 HA LEU 21 39.014 17.753 -9.488 165 HB2 LEU 21 HB2 LEU 21 41.174 19.286 -9.396 166 HB3 LEU 21 HB1 LEU 21 41.697 18.317 -10.790 167 HG LEU 21 HG LEU 21 39.065 19.857 -10.585 168 HD11 LEU 21 HD11 LEU 21 40.102 21.337 -12.287 169 HD12 LEU 21 HD12 LEU 21 41.609 20.396 -12.182 170 HD13 LEU 21 HD13 LEU 21 41.043 21.330 -10.776 171 HD21 LEU 21 HD21 LEU 21 39.118 19.344 -13.142 172 HD22 LEU 21 HD22 LEU 21 38.667 18.020 -12.047 173 HD23 LEU 21 HD23 LEU 21 40.311 18.087 -12.728 174 H ASP 22 HN ASP 22 38.055 16.116 -10.505 175 HA ASP 22 HA ASP 22 37.750 14.314 -11.927 176 HB2 ASP 22 HB2 ASP 22 38.708 15.992 -13.551 177 HB3 ASP 22 HB1 ASP 22 40.304 15.251 -13.283 178 H HIS 23 HN HIS 23 39.563 14.126 -9.502 179 HA HIS 23 HA HIS 23 40.972 12.551 -8.533 180 HB2 HIS 23 HB2 HIS 23 38.981 11.149 -9.108 181 HB3 HIS 23 HB1 HIS 23 39.768 10.720 -10.645 182 HD1 HIS 23 HD1 HIS 23 39.462 8.235 -9.352 183 HD2 HIS 23 HD2 HIS 23 42.531 10.816 -8.088 184 HE1 HIS 23 HE1 HIS 23 41.137 6.836 -8.026 185 H LEU 24 HN LEU 24 42.164 14.174 -10.576 186 HA LEU 24 HA LEU 24 44.546 12.584 -11.040 187 HB2 LEU 24 HB2 LEU 24 42.769 11.952 -12.907 188 HB3 LEU 24 HB1 LEU 24 43.247 13.506 -13.621 189 HG LEU 24 HG LEU 24 45.083 11.159 -12.953 190 HD11 LEU 24 HD11 LEU 24 44.324 12.472 -15.601 191 HD12 LEU 24 HD12 LEU 24 43.680 10.924 -15.003 192 HD13 LEU 24 HD13 LEU 24 45.410 11.077 -15.392 193 HD21 LEU 24 HD21 LEU 24 46.790 12.664 -14.194 194 HD22 LEU 24 HD22 LEU 24 46.383 13.118 -12.524 195 HD23 LEU 24 HD23 LEU 24 45.654 14.001 -13.888 Start of MODEL 80 1 H1 GLY 1 HT1 GLY 1 60.096 -2.865 1.544 2 H2 GLY 1 HT2 GLY 1 58.660 -3.053 0.653 3 H3 GLY 1 HT3 GLY 1 59.648 -4.397 0.977 4 HA2 GLY 1 HA1 GLY 1 57.669 -4.320 2.355 5 HA3 GLY 1 HA2 GLY 1 59.192 -4.305 3.264 6 H LYS 2 HN LYS 2 59.268 -1.381 1.933 7 HA LYS 2 HA LYS 2 58.491 -0.046 4.376 8 HB2 LYS 2 HB2 LYS 2 60.248 0.715 2.685 9 HB3 LYS 2 HB1 LYS 2 58.902 1.219 1.641 10 HG2 LYS 2 HG2 LYS 2 59.355 3.218 2.793 11 HG3 LYS 2 HG1 LYS 2 58.065 2.525 3.798 12 HD2 LYS 2 HD2 LYS 2 59.705 1.670 5.399 13 HD3 LYS 2 HD1 LYS 2 61.049 2.166 4.344 14 HE2 LYS 2 HE2 LYS 2 60.329 4.535 4.562 15 HE3 LYS 2 HE1 LYS 2 59.018 4.024 5.652 16 HZ1 LYS 2 HZ1 LYS 2 61.113 4.807 6.759 17 HZ2 LYS 2 HZ2 LYS 2 61.882 3.415 6.161 18 HZ3 LYS 2 HZ3 LYS 2 60.577 3.271 7.239 19 H GLY 3 HN GLY 3 56.286 -0.998 4.494 20 HA2 GLY 3 HA1 GLY 3 54.117 -0.564 2.783 21 HA3 GLY 3 HA2 GLY 3 53.963 -0.341 4.587 22 H ARG 4 HN ARG 4 55.103 1.024 5.468 23 HA ARG 4 HA ARG 4 52.991 2.202 5.350 24 HB2 ARG 4 HB2 ARG 4 55.429 3.313 6.813 25 HB3 ARG 4 HB1 ARG 4 53.768 3.883 7.109 26 HG2 ARG 4 HG2 ARG 4 53.049 1.711 7.843 27 HG3 ARG 4 HG1 ARG 4 54.538 0.940 7.244 28 HD2 ARG 4 HD2 ARG 4 54.533 1.268 9.736 29 HD3 ARG 4 HD1 ARG 4 55.877 2.104 8.922 30 HE ARG 4 HE ARG 4 54.978 4.081 9.820 31 HH11 ARG 4 HH11 ARG 4 53.040 5.400 9.037 32 HH12 ARG 4 HH12 ARG 4 51.524 4.840 9.660 33 HH21 ARG 4 HH21 ARG 4 52.783 1.784 10.710 34 HH22 ARG 4 HH22 ARG 4 51.379 2.793 10.607 35 H TRP 5 HN TRP 5 55.503 2.817 3.475 36 HA TRP 5 HA TRP 5 55.897 5.530 2.962 37 HB2 TRP 5 HB2 TRP 5 56.902 3.600 1.690 38 HB3 TRP 5 HB1 TRP 5 55.370 3.469 0.792 39 HD1 TRP 5 HD1 TRP 5 57.717 6.426 1.730 40 HE1 TRP 5 HE1 TRP 5 58.058 7.923 -0.369 41 HE3 TRP 5 HE3 TRP 5 54.859 3.800 -1.605 42 HZ2 TRP 5 HZ2 TRP 5 57.190 7.946 -3.115 43 HZ3 TRP 5 HZ3 TRP 5 54.628 4.576 -3.959 44 HH2 TRP 5 HH2 TRP 5 55.791 6.645 -4.717 45 H LEU 6 HN LEU 6 52.949 3.769 2.718 46 HA LEU 6 HA LEU 6 51.625 6.069 1.284 47 HB2 LEU 6 HB2 LEU 6 50.622 3.208 1.486 48 HB3 LEU 6 HB1 LEU 6 49.999 4.514 0.452 49 HG LEU 6 HG LEU 6 52.776 3.261 0.250 50 HD11 LEU 6 HD11 LEU 6 50.961 1.753 -0.496 51 HD12 LEU 6 HD12 LEU 6 51.910 2.334 -1.884 52 HD13 LEU 6 HD13 LEU 6 50.313 3.039 -1.539 53 HD21 LEU 6 HD21 LEU 6 53.012 5.497 -0.521 54 HD22 LEU 6 HD22 LEU 6 51.374 5.530 -1.219 55 HD23 LEU 6 HD23 LEU 6 52.661 4.589 -2.009 56 H GLU 7 HN GLU 7 51.897 4.303 4.292 57 HA GLU 7 HA GLU 7 49.183 4.644 5.181 58 HB2 GLU 7 HB2 GLU 7 51.073 3.254 6.260 59 HB3 GLU 7 HB1 GLU 7 51.618 4.779 6.991 60 HG2 GLU 7 HG2 GLU 7 50.169 3.749 8.606 61 HG3 GLU 7 HG1 GLU 7 49.231 5.068 7.869 62 H ARG 8 HN ARG 8 51.833 6.852 4.759 63 HA ARG 8 HA ARG 8 51.341 8.873 6.610 64 HB2 ARG 8 HB2 ARG 8 53.117 8.848 4.821 65 HB3 ARG 8 HB1 ARG 8 51.870 9.347 3.653 66 HG2 ARG 8 HG2 ARG 8 51.408 11.373 4.985 67 HG3 ARG 8 HG1 ARG 8 52.621 10.869 6.188 68 HD2 ARG 8 HD2 ARG 8 54.395 10.982 4.487 69 HD3 ARG 8 HD1 ARG 8 53.197 11.411 3.242 70 HE ARG 8 HE ARG 8 53.488 13.620 3.990 71 HH11 ARG 8 HH11 ARG 8 52.038 14.199 6.138 72 HH12 ARG 8 HH12 ARG 8 53.063 14.189 7.534 73 HH21 ARG 8 HH21 ARG 8 55.596 12.393 5.990 74 HH22 ARG 8 HH22 ARG 8 55.077 13.166 7.451 75 H ILE 9 HN ILE 9 49.400 9.567 7.254 76 HA ILE 9 HA ILE 9 47.027 9.552 5.775 77 HB ILE 9 HB ILE 9 46.908 9.951 8.141 78 HG12 ILE 9 HG12 ILE 9 45.424 11.861 8.296 79 HG13 ILE 9 HG11 ILE 9 46.129 12.607 6.845 80 HG21 ILE 9 HG21 ILE 9 48.276 12.648 7.811 81 HG22 ILE 9 HG22 ILE 9 49.176 11.168 8.207 82 HG23 ILE 9 HG23 ILE 9 47.915 11.763 9.308 83 HD11 ILE 9 HD1 ILE 9 44.841 9.854 6.745 84 HD12 ILE 9 HD2 ILE 9 45.172 10.975 5.402 85 HD13 ILE 9 HD3 ILE 9 43.881 11.341 6.568 86 H GLY 10 HN GLY 10 47.038 10.228 3.706 87 HA2 GLY 10 HA1 GLY 10 47.970 13.026 3.134 88 HA3 GLY 10 HA2 GLY 10 47.768 11.724 1.946 89 H LYS 11 HN LYS 11 45.169 11.035 3.489 90 HA LYS 11 HA LYS 11 43.411 12.408 1.685 91 HB2 LYS 11 HB2 LYS 11 42.669 11.108 4.331 92 HB3 LYS 11 HB1 LYS 11 41.613 11.378 2.923 93 HG2 LYS 11 HG2 LYS 11 43.013 9.863 1.564 94 HG3 LYS 11 HG1 LYS 11 44.100 9.610 2.950 95 HD2 LYS 11 HD2 LYS 11 42.163 8.710 4.258 96 HD3 LYS 11 HD1 LYS 11 41.145 8.872 2.807 97 HE2 LYS 11 HE2 LYS 11 43.729 7.263 2.863 98 HE3 LYS 11 HE1 LYS 11 42.126 6.552 3.171 99 HZ1 LYS 11 HZ1 LYS 11 41.462 6.898 1.021 100 HZ2 LYS 11 HZ2 LYS 11 43.117 6.602 0.774 101 HZ3 LYS 11 HZ3 LYS 11 42.525 8.194 0.761 102 H ALA 12 HN ALA 12 43.430 14.602 1.743 103 HA ALA 12 HA ALA 12 43.630 16.175 4.113 104 HB1 ALA 12 HB1 ALA 12 43.896 16.889 1.664 105 HB2 ALA 12 HB2 ALA 12 43.046 18.021 2.743 106 HB3 ALA 12 HB3 ALA 12 42.119 16.999 1.617 107 H GLY 13 HN GLY 13 41.215 14.057 3.206 108 HA2 GLY 13 HA1 GLY 13 39.053 13.725 3.954 109 HA3 GLY 13 HA2 GLY 13 39.496 14.727 5.351 110 H PHE 14 HN PHE 14 40.016 16.388 2.470 111 HA PHE 14 HA PHE 14 37.642 18.088 2.994 112 HB2 PHE 14 HB2 PHE 14 40.120 18.829 2.436 113 HB3 PHE 14 HB1 PHE 14 39.632 18.557 0.750 114 HD1 PHE 14 HD1 PHE 14 38.315 20.176 3.900 115 HD2 PHE 14 HD2 PHE 14 38.662 20.390 -0.399 116 HE1 PHE 14 HE1 PHE 14 37.161 22.383 3.915 117 HE2 PHE 14 HE2 PHE 14 37.506 22.596 -0.381 118 HZ PHE 14 HZ PHE 14 36.701 23.562 1.769 119 H ILE 15 HN ILE 15 39.127 16.611 0.045 120 HA ILE 15 HA ILE 15 36.481 15.661 -0.821 121 HB ILE 15 HB ILE 15 36.610 16.825 -3.043 122 HG12 ILE 15 HG12 ILE 15 38.830 18.372 -1.629 123 HG13 ILE 15 HG11 ILE 15 39.009 17.331 -3.059 124 HG21 ILE 15 HG21 ILE 15 36.564 18.857 -0.775 125 HG22 ILE 15 HG22 ILE 15 35.256 17.678 -1.030 126 HG23 ILE 15 HG23 ILE 15 35.629 18.877 -2.288 127 HD11 ILE 15 HD1 ILE 15 38.914 19.526 -3.956 128 HD12 ILE 15 HD2 ILE 15 37.620 20.022 -2.841 129 HD13 ILE 15 HD3 ILE 15 37.261 18.903 -4.180 130 H ILE 16 HN ILE 16 38.823 14.367 -0.064 131 HA ILE 16 HA ILE 16 40.162 13.516 -2.582 132 HB ILE 16 HB ILE 16 40.541 12.999 0.387 133 HG12 ILE 16 HG12 ILE 16 42.785 13.879 -0.061 134 HG13 ILE 16 HG11 ILE 16 42.465 13.892 -1.810 135 HG21 ILE 16 HG21 ILE 16 42.500 11.477 -0.358 136 HG22 ILE 16 HG22 ILE 16 41.686 11.394 -1.940 137 HG23 ILE 16 HG23 ILE 16 40.867 10.783 -0.482 138 HD11 ILE 16 HD1 ILE 16 42.213 16.138 -0.584 139 HD12 ILE 16 HD2 ILE 16 40.751 15.449 0.163 140 HD13 ILE 16 HD3 ILE 16 40.846 15.639 -1.605 141 H ILE 17 HN ILE 17 38.094 12.216 0.035 142 HA ILE 17 HA ILE 17 37.821 9.625 -1.281 143 HB ILE 17 HB ILE 17 36.307 9.027 0.457 144 HG12 ILE 17 HG12 ILE 17 34.728 10.847 0.488 145 HG13 ILE 17 HG11 ILE 17 35.427 10.766 2.112 146 HG21 ILE 17 HG21 ILE 17 37.538 9.908 2.552 147 HG22 ILE 17 HG22 ILE 17 38.543 10.843 1.426 148 HG23 ILE 17 HG23 ILE 17 38.509 9.073 1.323 149 HD11 ILE 17 HD1 ILE 17 37.038 12.604 1.421 150 HD12 ILE 17 HD2 ILE 17 35.333 13.090 1.455 151 HD13 ILE 17 HD3 ILE 17 36.121 12.750 -0.098 152 H GLY 18 HN GLY 18 37.023 12.306 -2.614 153 HA2 GLY 18 HA1 GLY 18 34.611 11.195 -3.889 154 HA3 GLY 18 HA2 GLY 18 34.356 12.703 -2.991 155 H GLY 19 HN GLY 19 36.874 13.956 -3.545 156 HA2 GLY 19 HA1 GLY 19 36.292 14.789 -6.340 157 HA3 GLY 19 HA2 GLY 19 37.337 15.619 -5.175 158 H ALA 20 HN ALA 20 38.243 12.484 -4.892 159 HA ALA 20 HA ALA 20 40.658 12.940 -6.494 160 HB1 ALA 20 HB1 ALA 20 39.715 10.497 -4.953 161 HB2 ALA 20 HB2 ALA 20 40.764 11.794 -4.327 162 HB3 ALA 20 HB3 ALA 20 41.339 10.736 -5.637 163 H LEU 21 HN LEU 21 38.486 13.047 -8.190 164 HA LEU 21 HA LEU 21 38.962 10.592 -9.861 165 HB2 LEU 21 HB2 LEU 21 36.433 10.943 -10.548 166 HB3 LEU 21 HB1 LEU 21 36.825 10.048 -9.062 167 HG LEU 21 HG LEU 21 36.455 12.059 -7.705 168 HD11 LEU 21 HD11 LEU 21 36.066 13.365 -10.426 169 HD12 LEU 21 HD12 LEU 21 37.135 13.871 -9.095 170 HD13 LEU 21 HD13 LEU 21 35.376 14.071 -8.945 171 HD21 LEU 21 HD21 LEU 21 34.021 12.291 -8.084 172 HD22 LEU 21 HD22 LEU 21 34.527 10.594 -8.256 173 HD23 LEU 21 HD23 LEU 21 34.200 11.576 -9.703 174 H ASP 22 HN ASP 22 39.449 13.765 -9.568 175 HA ASP 22 HA ASP 22 38.460 14.723 -12.149 176 HB2 ASP 22 HB2 ASP 22 40.585 15.874 -10.294 177 HB3 ASP 22 HB1 ASP 22 39.796 16.723 -11.645 178 H HIS 23 HN HIS 23 41.267 13.032 -10.963 179 HA HIS 23 HA HIS 23 42.226 12.604 -13.675 180 HB2 HIS 23 HB2 HIS 23 43.103 14.891 -13.317 181 HB3 HIS 23 HB1 HIS 23 43.925 14.339 -11.837 182 HD1 HIS 23 HD1 HIS 23 46.325 13.816 -12.213 183 HD2 HIS 23 HD2 HIS 23 44.003 13.066 -15.638 184 HE1 HIS 23 HE1 HIS 23 47.898 12.931 -14.021 185 H LEU 24 HN LEU 24 42.921 12.588 -10.179 186 HA LEU 24 HA LEU 24 44.911 10.531 -10.267 187 HB2 LEU 24 HB2 LEU 24 44.678 11.908 -8.295 188 HB3 LEU 24 HB1 LEU 24 42.980 11.425 -8.090 189 HG LEU 24 HG LEU 24 43.616 9.155 -7.512 190 HD11 LEU 24 HD11 LEU 24 46.383 10.052 -8.410 191 HD12 LEU 24 HD12 LEU 24 45.438 8.647 -8.962 192 HD13 LEU 24 HD13 LEU 24 46.161 8.648 -7.337 193 HD21 LEU 24 HD21 LEU 24 44.862 9.561 -5.457 194 HD22 LEU 24 HD22 LEU 24 43.800 10.958 -5.758 195 HD23 LEU 24 HD23 LEU 24 45.540 11.068 -6.118 Start of MODEL 81 1 H1 GLY 1 HT1 GLY 1 61.315 -3.576 3.654 2 H2 GLY 1 HT2 GLY 1 60.716 -2.126 4.308 3 H3 GLY 1 HT3 GLY 1 61.166 -2.204 2.671 4 HA2 GLY 1 HA1 GLY 1 59.428 -3.747 2.211 5 HA3 GLY 1 HA2 GLY 1 58.972 -3.714 3.926 6 H LYS 2 HN LYS 2 60.078 -0.681 3.122 7 HA LYS 2 HA LYS 2 58.959 1.340 2.898 8 HB2 LYS 2 HB2 LYS 2 57.277 -0.304 0.964 9 HB3 LYS 2 HB1 LYS 2 57.328 1.474 1.042 10 HG2 LYS 2 HG2 LYS 2 59.811 1.361 0.632 11 HG3 LYS 2 HG1 LYS 2 59.646 -0.395 0.391 12 HD2 LYS 2 HD2 LYS 2 57.979 0.056 -1.431 13 HD3 LYS 2 HD1 LYS 2 58.293 1.798 -1.238 14 HE2 LYS 2 HE2 LYS 2 59.673 0.970 -3.064 15 HE3 LYS 2 HE1 LYS 2 60.733 1.344 -1.683 16 HZ1 LYS 2 HZ1 LYS 2 59.662 -1.362 -2.317 17 HZ2 LYS 2 HZ2 LYS 2 60.768 -0.972 -1.088 18 HZ3 LYS 2 HZ3 LYS 2 61.218 -0.822 -2.721 19 H GLY 3 HN GLY 3 58.278 0.472 5.221 20 HA2 GLY 3 HA1 GLY 3 55.638 -0.342 5.847 21 HA3 GLY 3 HA2 GLY 3 56.576 0.843 6.870 22 H ARG 4 HN ARG 4 57.201 2.529 6.021 23 HA ARG 4 HA ARG 4 55.261 3.318 7.242 24 HB2 ARG 4 HB2 ARG 4 57.175 5.212 5.800 25 HB3 ARG 4 HB1 ARG 4 56.071 5.726 7.099 26 HG2 ARG 4 HG2 ARG 4 57.080 4.077 8.635 27 HG3 ARG 4 HG1 ARG 4 58.166 3.519 7.339 28 HD2 ARG 4 HD2 ARG 4 59.087 5.854 7.179 29 HD3 ARG 4 HD1 ARG 4 58.085 6.304 8.579 30 HE ARG 4 HE ARG 4 59.776 3.981 9.102 31 HH11 ARG 4 HH11 ARG 4 59.297 5.675 11.342 32 HH12 ARG 4 HH12 ARG 4 60.693 6.695 11.439 33 HH21 ARG 4 HH21 ARG 4 61.716 6.049 8.189 34 HH22 ARG 4 HH22 ARG 4 62.063 6.908 9.654 35 H TRP 5 HN TRP 5 55.325 2.894 4.097 36 HA TRP 5 HA TRP 5 54.066 4.820 2.573 37 HB2 TRP 5 HB2 TRP 5 54.570 2.508 1.812 38 HB3 TRP 5 HB1 TRP 5 53.167 1.924 2.744 39 HD1 TRP 5 HD1 TRP 5 50.960 1.863 1.485 40 HE1 TRP 5 HE1 TRP 5 49.987 2.912 -0.687 41 HE3 TRP 5 HE3 TRP 5 54.885 4.899 0.225 42 HZ2 TRP 5 HZ2 TRP 5 50.828 4.812 -2.680 43 HZ3 TRP 5 HZ3 TRP 5 54.778 6.320 -1.815 44 HH2 TRP 5 HH2 TRP 5 52.755 6.280 -3.268 45 H LEU 6 HN LEU 6 52.727 3.203 5.357 46 HA LEU 6 HA LEU 6 49.997 4.303 4.803 47 HB2 LEU 6 HB2 LEU 6 50.091 1.929 5.364 48 HB3 LEU 6 HB1 LEU 6 51.026 2.279 6.833 49 HG LEU 6 HG LEU 6 49.122 3.488 7.809 50 HD11 LEU 6 HD11 LEU 6 47.908 3.030 5.058 51 HD12 LEU 6 HD12 LEU 6 48.001 4.538 5.999 52 HD13 LEU 6 HD13 LEU 6 46.869 3.260 6.485 53 HD21 LEU 6 HD21 LEU 6 47.557 1.584 8.025 54 HD22 LEU 6 HD22 LEU 6 49.248 1.030 8.085 55 HD23 LEU 6 HD23 LEU 6 48.293 0.813 6.598 56 H GLU 7 HN GLU 7 52.840 4.682 6.903 57 HA GLU 7 HA GLU 7 51.531 5.989 9.078 58 HB2 GLU 7 HB2 GLU 7 54.014 5.256 8.833 59 HB3 GLU 7 HB1 GLU 7 54.254 6.827 8.034 60 HG2 GLU 7 HG2 GLU 7 54.753 7.184 10.353 61 HG3 GLU 7 HG1 GLU 7 53.147 7.900 10.077 62 H ARG 8 HN ARG 8 52.552 7.147 5.894 63 HA ARG 8 HA ARG 8 52.148 9.953 6.459 64 HB2 ARG 8 HB2 ARG 8 52.143 8.393 3.846 65 HB3 ARG 8 HB1 ARG 8 52.131 10.169 3.964 66 HG2 ARG 8 HG2 ARG 8 54.248 10.050 5.307 67 HG3 ARG 8 HG1 ARG 8 54.279 8.290 5.038 68 HD2 ARG 8 HD2 ARG 8 54.198 10.344 2.789 69 HD3 ARG 8 HD1 ARG 8 55.698 9.612 3.408 70 HE ARG 8 HE ARG 8 54.021 7.452 2.793 71 HH11 ARG 8 HH11 ARG 8 55.986 6.779 1.237 72 HH12 ARG 8 HH12 ARG 8 55.795 7.495 -0.328 73 HH21 ARG 8 HH21 ARG 8 53.490 9.855 0.742 74 HH22 ARG 8 HH22 ARG 8 54.380 9.236 -0.608 75 H ILE 9 HN ILE 9 50.539 11.182 4.922 76 HA ILE 9 HA ILE 9 48.006 9.962 4.357 77 HB ILE 9 HB ILE 9 47.732 9.809 6.790 78 HG12 ILE 9 HG12 ILE 9 45.694 11.129 7.092 79 HG13 ILE 9 HG11 ILE 9 46.150 12.221 5.769 80 HG21 ILE 9 HG21 ILE 9 48.153 12.823 6.894 81 HG22 ILE 9 HG22 ILE 9 49.434 11.642 7.262 82 HG23 ILE 9 HG23 ILE 9 47.963 11.702 8.262 83 HD11 ILE 9 HD1 ILE 9 45.875 9.236 5.271 84 HD12 ILE 9 HD2 ILE 9 45.746 10.581 4.111 85 HD13 ILE 9 HD3 ILE 9 44.440 10.289 5.281 86 H GLY 10 HN GLY 10 46.974 11.229 2.933 87 HA2 GLY 10 HA1 GLY 10 47.418 14.187 3.036 88 HA3 GLY 10 HA2 GLY 10 47.840 13.306 1.554 89 H LYS 11 HN LYS 11 45.547 11.378 2.141 90 HA LYS 11 HA LYS 11 43.616 12.685 0.486 91 HB2 LYS 11 HB2 LYS 11 43.366 10.291 2.345 92 HB3 LYS 11 HB1 LYS 11 42.095 10.811 1.211 93 HG2 LYS 11 HG2 LYS 11 43.628 10.521 -0.687 94 HG3 LYS 11 HG1 LYS 11 44.953 10.089 0.419 95 HD2 LYS 11 HD2 LYS 11 43.526 8.166 1.247 96 HD3 LYS 11 HD1 LYS 11 42.370 8.543 -0.054 97 HE2 LYS 11 HE2 LYS 11 44.270 8.303 -1.709 98 HE3 LYS 11 HE1 LYS 11 45.290 7.726 -0.368 99 HZ1 LYS 11 HZ1 LYS 11 44.450 5.723 -0.760 100 HZ2 LYS 11 HZ2 LYS 11 43.303 6.326 -1.857 101 HZ3 LYS 11 HZ3 LYS 11 42.952 6.280 -0.196 102 H ALA 12 HN ALA 12 42.548 14.469 1.038 103 HA ALA 12 HA ALA 12 41.975 15.096 3.828 104 HB1 ALA 12 HB1 ALA 12 40.632 16.969 2.759 105 HB2 ALA 12 HB2 ALA 12 41.137 16.315 1.181 106 HB3 ALA 12 HB3 ALA 12 42.358 16.916 2.327 107 H GLY 13 HN GLY 13 40.759 12.796 1.880 108 HA2 GLY 13 HA1 GLY 13 38.688 11.763 1.630 109 HA3 GLY 13 HA2 GLY 13 38.655 11.946 3.393 110 H PHE 14 HN PHE 14 38.602 14.644 1.132 111 HA PHE 14 HA PHE 14 35.686 14.928 1.210 112 HB2 PHE 14 HB2 PHE 14 36.311 15.683 3.504 113 HB3 PHE 14 HB1 PHE 14 37.373 16.916 2.783 114 HD1 PHE 14 HD1 PHE 14 33.848 15.806 3.212 115 HD2 PHE 14 HD2 PHE 14 36.458 18.891 1.693 116 HE1 PHE 14 HE1 PHE 14 31.892 17.326 2.936 117 HE2 PHE 14 HE2 PHE 14 34.502 20.410 1.418 118 HZ PHE 14 HZ PHE 14 32.216 19.619 2.018 119 H ILE 15 HN ILE 15 38.808 15.612 0.088 120 HA ILE 15 HA ILE 15 37.731 17.041 -2.214 121 HB ILE 15 HB ILE 15 37.859 18.952 -0.718 122 HG12 ILE 15 HG12 ILE 15 40.425 19.375 -2.271 123 HG13 ILE 15 HG11 ILE 15 38.983 18.924 -3.209 124 HG21 ILE 15 HG21 ILE 15 40.771 18.184 -0.243 125 HG22 ILE 15 HG22 ILE 15 39.439 17.948 0.911 126 HG23 ILE 15 HG23 ILE 15 39.925 19.592 0.436 127 HD11 ILE 15 HD1 ILE 15 37.748 20.825 -2.343 128 HD12 ILE 15 HD2 ILE 15 39.317 21.414 -2.941 129 HD13 ILE 15 HD3 ILE 15 39.051 21.210 -1.193 130 H ILE 16 HN ILE 16 38.807 14.663 -2.276 131 HA ILE 16 HA ILE 16 41.380 15.137 -3.680 132 HB ILE 16 HB ILE 16 41.987 14.573 -1.312 133 HG12 ILE 16 HG12 ILE 16 43.480 12.626 -1.870 134 HG13 ILE 16 HG11 ILE 16 42.600 12.412 -3.395 135 HG21 ILE 16 HG21 ILE 16 41.410 12.458 -0.349 136 HG22 ILE 16 HG22 ILE 16 40.734 11.869 -1.882 137 HG23 ILE 16 HG23 ILE 16 39.897 13.150 -0.978 138 HD11 ILE 16 HD1 ILE 16 44.849 13.842 -3.327 139 HD12 ILE 16 HD2 ILE 16 43.772 15.136 -2.757 140 HD13 ILE 16 HD3 ILE 16 43.489 14.372 -4.340 141 H ILE 17 HN ILE 17 38.768 12.906 -2.703 142 HA ILE 17 HA ILE 17 39.330 11.170 -5.068 143 HB ILE 17 HB ILE 17 37.149 9.984 -4.034 144 HG12 ILE 17 HG12 ILE 17 36.983 10.309 -1.605 145 HG13 ILE 17 HG11 ILE 17 38.269 11.535 -1.651 146 HG21 ILE 17 HG21 ILE 17 39.976 9.928 -2.929 147 HG22 ILE 17 HG22 ILE 17 39.207 8.798 -4.062 148 HG23 ILE 17 HG23 ILE 17 38.718 8.813 -2.351 149 HD11 ILE 17 HD1 ILE 17 36.899 13.072 -2.871 150 HD12 ILE 17 HD2 ILE 17 35.838 12.401 -1.611 151 HD13 ILE 17 HD3 ILE 17 35.715 11.809 -3.285 152 H GLY 18 HN GLY 18 38.167 14.074 -5.009 153 HA2 GLY 18 HA1 GLY 18 36.471 13.711 -7.284 154 HA3 GLY 18 HA2 GLY 18 35.460 13.956 -5.847 155 H GLY 19 HN GLY 19 36.558 15.821 -4.372 156 HA2 GLY 19 HA1 GLY 19 35.961 18.234 -5.640 157 HA3 GLY 19 HA2 GLY 19 37.000 18.088 -4.210 158 H ALA 20 HN ALA 20 39.098 16.569 -5.409 159 HA ALA 20 HA ALA 20 40.592 18.760 -6.584 160 HB1 ALA 20 HB1 ALA 20 41.238 15.793 -6.449 161 HB2 ALA 20 HB2 ALA 20 41.629 16.998 -5.197 162 HB3 ALA 20 HB3 ALA 20 42.387 17.104 -6.804 163 H LEU 21 HN LEU 21 40.047 15.481 -7.936 164 HA LEU 21 HA LEU 21 38.914 16.463 -10.400 165 HB2 LEU 21 HB2 LEU 21 41.481 17.129 -10.450 166 HB3 LEU 21 HB1 LEU 21 41.729 15.409 -10.820 167 HG LEU 21 HG LEU 21 39.949 17.346 -12.375 168 HD11 LEU 21 HD11 LEU 21 42.575 15.979 -13.117 169 HD12 LEU 21 HD12 LEU 21 42.403 17.692 -12.664 170 HD13 LEU 21 HD13 LEU 21 41.635 17.082 -14.149 171 HD21 LEU 21 HD21 LEU 21 39.981 15.323 -14.024 172 HD22 LEU 21 HD22 LEU 21 38.926 15.208 -12.598 173 HD23 LEU 21 HD23 LEU 21 40.491 14.359 -12.615 174 H ASP 22 HN ASP 22 37.449 14.822 -10.185 175 HA ASP 22 HA ASP 22 36.626 12.660 -10.278 176 HB2 ASP 22 HB2 ASP 22 37.674 12.700 -12.497 177 HB3 ASP 22 HB1 ASP 22 39.224 12.182 -11.795 178 H HIS 23 HN HIS 23 40.022 11.595 -10.272 179 HA HIS 23 HA HIS 23 39.950 10.936 -7.401 180 HB2 HIS 23 HB2 HIS 23 40.009 8.702 -9.471 181 HB3 HIS 23 HB1 HIS 23 40.187 8.514 -7.711 182 HD1 HIS 23 HD1 HIS 23 38.039 9.685 -6.305 183 HD2 HIS 23 HD2 HIS 23 37.382 8.460 -10.275 184 HE1 HIS 23 HE1 HIS 23 35.517 9.416 -6.613 185 H LEU 24 HN LEU 24 41.597 12.564 -9.125 186 HA LEU 24 HA LEU 24 44.021 11.098 -9.763 187 HB2 LEU 24 HB2 LEU 24 43.554 13.143 -10.956 188 HB3 LEU 24 HB1 LEU 24 43.396 14.059 -9.443 189 HG LEU 24 HG LEU 24 45.764 13.857 -8.976 190 HD11 LEU 24 HD11 LEU 24 45.725 11.876 -11.286 191 HD12 LEU 24 HD12 LEU 24 46.311 11.627 -9.624 192 HD13 LEU 24 HD13 LEU 24 47.233 12.653 -10.746 193 HD21 LEU 24 HD21 LEU 24 45.318 14.455 -11.935 194 HD22 LEU 24 HD22 LEU 24 46.730 14.965 -10.978 195 HD23 LEU 24 HD23 LEU 24 45.114 15.608 -10.595 Start of MODEL 82 1 H1 GLY 1 HT1 GLY 1 57.920 -3.447 2.827 2 H2 GLY 1 HT2 GLY 1 57.794 -2.920 1.217 3 H3 GLY 1 HT3 GLY 1 58.586 -4.379 1.579 4 HA2 GLY 1 HA1 GLY 1 56.319 -4.588 0.645 5 HA3 GLY 1 HA2 GLY 1 56.647 -5.453 2.159 6 H LYS 2 HN LYS 2 56.651 -2.206 2.859 7 HA LYS 2 HA LYS 2 53.790 -1.709 2.951 8 HB2 LYS 2 HB2 LYS 2 53.656 -1.728 5.482 9 HB3 LYS 2 HB1 LYS 2 53.760 -3.337 4.727 10 HG2 LYS 2 HG2 LYS 2 56.161 -3.448 5.190 11 HG3 LYS 2 HG1 LYS 2 56.142 -1.790 5.838 12 HD2 LYS 2 HD2 LYS 2 54.605 -2.492 7.637 13 HD3 LYS 2 HD1 LYS 2 54.576 -4.147 6.981 14 HE2 LYS 2 HE2 LYS 2 56.183 -3.830 8.913 15 HE3 LYS 2 HE1 LYS 2 56.944 -4.438 7.423 16 HZ1 LYS 2 HZ1 LYS 2 56.810 -1.535 7.956 17 HZ2 LYS 2 HZ2 LYS 2 57.904 -2.398 6.984 18 HZ3 LYS 2 HZ3 LYS 2 58.022 -2.475 8.678 19 H GLY 3 HN GLY 3 55.839 -0.228 1.907 20 HA2 GLY 3 HA1 GLY 3 57.247 1.651 3.401 21 HA3 GLY 3 HA2 GLY 3 56.313 2.150 1.917 22 H ARG 4 HN ARG 4 54.345 1.896 1.892 23 HA ARG 4 HA ARG 4 54.496 4.263 2.399 24 HB2 ARG 4 HB2 ARG 4 51.801 2.921 1.858 25 HB3 ARG 4 HB1 ARG 4 52.106 4.662 1.668 26 HG2 ARG 4 HG2 ARG 4 53.937 2.663 0.285 27 HG3 ARG 4 HG1 ARG 4 52.354 3.032 -0.427 28 HD2 ARG 4 HD2 ARG 4 52.955 5.483 -0.358 29 HD3 ARG 4 HD1 ARG 4 54.584 5.023 0.189 30 HE ARG 4 HE ARG 4 54.061 3.544 -2.164 31 HH11 ARG 4 HH11 ARG 4 56.157 5.789 -1.413 32 HH12 ARG 4 HH12 ARG 4 55.964 6.817 -2.794 33 HH21 ARG 4 HH21 ARG 4 53.021 5.310 -3.837 34 HH22 ARG 4 HH22 ARG 4 54.189 6.546 -4.165 35 H TRP 5 HN TRP 5 53.749 2.031 4.534 36 HA TRP 5 HA TRP 5 51.730 2.759 6.311 37 HB2 TRP 5 HB2 TRP 5 53.281 0.865 6.676 38 HB3 TRP 5 HB1 TRP 5 54.579 2.018 7.070 39 HD1 TRP 5 HD1 TRP 5 51.203 0.735 8.389 40 HE1 TRP 5 HE1 TRP 5 51.016 1.250 10.931 41 HE3 TRP 5 HE3 TRP 5 55.462 3.516 8.963 42 HZ2 TRP 5 HZ2 TRP 5 52.531 2.682 12.917 43 HZ3 TRP 5 HZ3 TRP 5 56.072 4.447 11.190 44 HH2 TRP 5 HH2 TRP 5 54.612 4.033 13.166 45 H LEU 6 HN LEU 6 54.588 4.548 5.496 46 HA LEU 6 HA LEU 6 54.201 6.447 7.775 47 HB2 LEU 6 HB2 LEU 6 56.484 5.656 7.415 48 HB3 LEU 6 HB1 LEU 6 56.416 6.131 5.706 49 HG LEU 6 HG LEU 6 56.241 8.502 6.325 50 HD11 LEU 6 HD11 LEU 6 54.990 8.575 8.340 51 HD12 LEU 6 HD12 LEU 6 56.627 9.012 8.872 52 HD13 LEU 6 HD13 LEU 6 56.019 7.360 9.136 53 HD21 LEU 6 HD21 LEU 6 58.431 7.059 7.885 54 HD22 LEU 6 HD22 LEU 6 58.465 8.767 7.384 55 HD23 LEU 6 HD23 LEU 6 58.489 7.477 6.156 56 H GLU 7 HN GLU 7 53.780 6.086 4.274 57 HA GLU 7 HA GLU 7 53.786 8.776 3.452 58 HB2 GLU 7 HB2 GLU 7 53.354 6.674 2.050 59 HB3 GLU 7 HB1 GLU 7 51.665 6.771 2.604 60 HG2 GLU 7 HG2 GLU 7 51.635 9.174 1.756 61 HG3 GLU 7 HG1 GLU 7 53.214 8.847 1.001 62 H ARG 8 HN ARG 8 51.435 7.024 5.401 63 HA ARG 8 HA ARG 8 49.555 7.746 6.541 64 HB2 ARG 8 HB2 ARG 8 51.306 9.402 7.390 65 HB3 ARG 8 HB1 ARG 8 50.652 10.562 6.208 66 HG2 ARG 8 HG2 ARG 8 48.396 10.313 7.223 67 HG3 ARG 8 HG1 ARG 8 49.068 9.180 8.421 68 HD2 ARG 8 HD2 ARG 8 50.530 10.910 9.320 69 HD3 ARG 8 HD1 ARG 8 50.040 12.044 8.038 70 HE ARG 8 HE ARG 8 48.175 12.554 9.378 71 HH11 ARG 8 HH11 ARG 8 46.562 10.227 9.210 72 HH12 ARG 8 HH12 ARG 8 46.601 9.531 10.796 73 HH21 ARG 8 HH21 ARG 8 49.420 11.290 11.787 74 HH22 ARG 8 HH22 ARG 8 48.220 10.132 12.255 75 H ILE 9 HN ILE 9 48.687 7.106 4.254 76 HA ILE 9 HA ILE 9 47.830 9.095 2.434 77 HB ILE 9 HB ILE 9 47.660 6.781 1.781 78 HG12 ILE 9 HG12 ILE 9 45.397 6.637 0.924 79 HG13 ILE 9 HG11 ILE 9 44.781 7.721 2.190 80 HG21 ILE 9 HG21 ILE 9 47.270 5.953 4.172 81 HG22 ILE 9 HG22 ILE 9 46.353 5.120 2.900 82 HG23 ILE 9 HG23 ILE 9 45.548 6.326 3.925 83 HD11 ILE 9 HD1 ILE 9 45.856 9.620 1.245 84 HD12 ILE 9 HD2 ILE 9 45.211 8.740 -0.159 85 HD13 ILE 9 HD3 ILE 9 46.940 8.622 0.247 86 H GLY 10 HN GLY 10 46.732 10.872 2.886 87 HA2 GLY 10 HA1 GLY 10 44.067 10.950 3.674 88 HA3 GLY 10 HA2 GLY 10 44.978 11.053 5.194 89 H LYS 11 HN LYS 11 46.048 12.316 2.065 90 HA LYS 11 HA LYS 11 46.878 14.813 3.016 91 HB2 LYS 11 HB2 LYS 11 47.348 13.867 0.749 92 HB3 LYS 11 HB1 LYS 11 45.675 14.252 0.277 93 HG2 LYS 11 HG2 LYS 11 46.044 16.621 0.615 94 HG3 LYS 11 HG1 LYS 11 47.639 16.321 1.347 95 HD2 LYS 11 HD2 LYS 11 48.401 15.316 -0.820 96 HD3 LYS 11 HD1 LYS 11 46.833 15.754 -1.539 97 HE2 LYS 11 HE2 LYS 11 47.250 18.126 -1.118 98 HE3 LYS 11 HE1 LYS 11 48.756 17.740 -0.253 99 HZ1 LYS 11 HZ1 LYS 11 48.166 17.320 -3.137 100 HZ2 LYS 11 HZ2 LYS 11 49.529 16.670 -2.356 101 HZ3 LYS 11 HZ3 LYS 11 49.327 18.354 -2.458 102 H ALA 12 HN ALA 12 43.666 13.840 1.806 103 HA ALA 12 HA ALA 12 42.539 16.377 2.992 104 HB1 ALA 12 HB1 ALA 12 40.948 16.440 1.109 105 HB2 ALA 12 HB2 ALA 12 41.760 15.034 0.376 106 HB3 ALA 12 HB3 ALA 12 42.628 16.581 0.539 107 H GLY 13 HN GLY 13 42.072 13.024 1.938 108 HA2 GLY 13 HA1 GLY 13 40.818 11.988 4.135 109 HA3 GLY 13 HA2 GLY 13 39.476 12.788 3.285 110 H PHE 14 HN PHE 14 42.329 10.781 2.472 111 HA PHE 14 HA PHE 14 42.504 8.860 1.208 112 HB2 PHE 14 HB2 PHE 14 40.402 8.207 2.592 113 HB3 PHE 14 HB1 PHE 14 39.473 8.611 1.132 114 HD1 PHE 14 HD1 PHE 14 39.434 7.136 -0.765 115 HD2 PHE 14 HD2 PHE 14 42.215 6.440 2.463 116 HE1 PHE 14 HE1 PHE 14 40.001 4.912 -1.732 117 HE2 PHE 14 HE2 PHE 14 42.781 4.216 1.495 118 HZ PHE 14 HZ PHE 14 41.683 3.457 -0.610 119 H ILE 15 HN ILE 15 41.972 11.645 0.148 120 HA ILE 15 HA ILE 15 41.797 12.627 -1.919 121 HB ILE 15 HB ILE 15 41.924 9.839 -3.141 122 HG12 ILE 15 HG12 ILE 15 44.173 11.639 -2.125 123 HG13 ILE 15 HG11 ILE 15 43.722 10.045 -1.476 124 HG21 ILE 15 HG21 ILE 15 43.035 12.494 -4.135 125 HG22 ILE 15 HG22 ILE 15 41.423 11.885 -4.577 126 HG23 ILE 15 HG23 ILE 15 42.873 10.972 -5.043 127 HD11 ILE 15 HD1 ILE 15 44.152 9.180 -3.914 128 HD12 ILE 15 HD2 ILE 15 45.557 9.557 -2.889 129 HD13 ILE 15 HD3 ILE 15 45.030 10.714 -4.133 130 H ILE 16 HN ILE 16 39.649 13.029 -1.060 131 HA ILE 16 HA ILE 16 37.577 11.988 -2.974 132 HB ILE 16 HB ILE 16 37.169 12.576 -0.017 133 HG12 ILE 16 HG12 ILE 16 38.481 10.414 -0.603 134 HG13 ILE 16 HG11 ILE 16 37.059 10.251 0.438 135 HG21 ILE 16 HG21 ILE 16 35.165 13.058 -1.254 136 HG22 ILE 16 HG22 ILE 16 34.917 11.465 -0.505 137 HG23 ILE 16 HG23 ILE 16 35.331 11.585 -2.233 138 HD11 ILE 16 HD1 ILE 16 35.714 9.404 -1.374 139 HD12 ILE 16 HD2 ILE 16 37.254 8.518 -1.421 140 HD13 ILE 16 HD3 ILE 16 36.949 9.826 -2.581 141 H ILE 17 HN ILE 17 38.351 14.415 -0.449 142 HA ILE 17 HA ILE 17 36.651 16.437 -1.781 143 HB ILE 17 HB ILE 17 38.635 16.783 0.513 144 HG12 ILE 17 HG12 ILE 17 37.044 15.090 1.188 145 HG13 ILE 17 HG11 ILE 17 36.583 16.603 1.990 146 HG21 ILE 17 HG21 ILE 17 38.138 18.956 -0.193 147 HG22 ILE 17 HG22 ILE 17 36.841 18.700 0.993 148 HG23 ILE 17 HG23 ILE 17 36.504 18.537 -0.745 149 HD11 ILE 17 HD1 ILE 17 35.258 15.225 -0.369 150 HD12 ILE 17 HD2 ILE 17 34.983 16.949 -0.043 151 HD13 ILE 17 HD3 ILE 17 34.533 15.734 1.171 152 H GLY 18 HN GLY 18 40.094 15.706 -1.247 153 HA2 GLY 18 HA1 GLY 18 41.077 18.068 -2.570 154 HA3 GLY 18 HA2 GLY 18 41.989 16.575 -2.257 155 H GLY 19 HN GLY 19 40.677 14.657 -3.628 156 HA2 GLY 19 HA1 GLY 19 41.444 15.288 -6.363 157 HA3 GLY 19 HA2 GLY 19 40.727 13.775 -5.781 158 H ALA 20 HN ALA 20 38.314 14.497 -4.767 159 HA ALA 20 HA ALA 20 36.147 14.948 -5.441 160 HB1 ALA 20 HB1 ALA 20 37.148 17.291 -5.449 161 HB2 ALA 20 HB2 ALA 20 35.696 17.053 -6.450 162 HB3 ALA 20 HB3 ALA 20 37.302 17.119 -7.213 163 H LEU 21 HN LEU 21 38.438 13.703 -7.454 164 HA LEU 21 HA LEU 21 38.359 12.641 -9.513 165 HB2 LEU 21 HB2 LEU 21 35.497 12.393 -8.538 166 HB3 LEU 21 HB1 LEU 21 36.009 11.669 -10.074 167 HG LEU 21 HG LEU 21 36.065 10.143 -8.013 168 HD11 LEU 21 HD11 LEU 21 37.422 9.841 -10.210 169 HD12 LEU 21 HD12 LEU 21 37.945 8.930 -8.779 170 HD13 LEU 21 HD13 LEU 21 38.825 10.392 -9.268 171 HD21 LEU 21 HD21 LEU 21 38.597 11.704 -7.341 172 HD22 LEU 21 HD22 LEU 21 37.866 10.366 -6.427 173 HD23 LEU 21 HD23 LEU 21 37.043 11.941 -6.509 174 H ASP 22 HN ASP 22 38.936 14.242 -10.928 175 HA ASP 22 HA ASP 22 36.932 15.049 -12.840 176 HB2 ASP 22 HB2 ASP 22 36.363 16.639 -10.995 177 HB3 ASP 22 HB1 ASP 22 38.024 17.272 -11.070 178 H HIS 23 HN HIS 23 39.988 16.213 -11.350 179 HA HIS 23 HA HIS 23 41.563 15.451 -13.644 180 HB2 HIS 23 HB2 HIS 23 40.379 17.386 -14.660 181 HB3 HIS 23 HB1 HIS 23 40.990 18.427 -13.353 182 HD1 HIS 23 HD1 HIS 23 43.242 19.473 -13.693 183 HD2 HIS 23 HD2 HIS 23 42.650 16.128 -16.176 184 HE1 HIS 23 HE1 HIS 23 45.252 19.325 -15.266 185 H LEU 24 HN LEU 24 41.047 16.663 -10.526 186 HA LEU 24 HA LEU 24 43.878 17.465 -10.076 187 HB2 LEU 24 HB2 LEU 24 41.684 17.176 -7.996 188 HB3 LEU 24 HB1 LEU 24 43.154 18.176 -7.924 189 HG LEU 24 HG LEU 24 40.787 18.574 -9.809 190 HD11 LEU 24 HD11 LEU 24 40.347 19.258 -7.480 191 HD12 LEU 24 HD12 LEU 24 40.509 20.688 -8.525 192 HD13 LEU 24 HD13 LEU 24 41.852 20.207 -7.461 193 HD21 LEU 24 HD21 LEU 24 43.503 19.936 -9.575 194 HD22 LEU 24 HD22 LEU 24 42.100 20.766 -10.290 195 HD23 LEU 24 HD23 LEU 24 42.719 19.273 -11.028 Start of MODEL 83 1 H1 GLY 1 HT1 GLY 1 54.464 -1.845 14.084 2 H2 GLY 1 HT2 GLY 1 55.874 -2.771 13.887 3 H3 GLY 1 HT3 GLY 1 54.449 -3.496 14.462 4 HA2 GLY 1 HA1 GLY 1 55.077 -3.891 12.078 5 HA3 GLY 1 HA2 GLY 1 53.406 -3.423 12.452 6 H LYS 2 HN LYS 2 56.603 -2.060 11.589 7 HA LYS 2 HA LYS 2 55.467 0.458 10.687 8 HB2 LYS 2 HB2 LYS 2 58.152 -0.805 10.005 9 HB3 LYS 2 HB1 LYS 2 57.708 0.910 9.830 10 HG2 LYS 2 HG2 LYS 2 57.240 0.961 12.318 11 HG3 LYS 2 HG1 LYS 2 57.921 -0.681 12.420 12 HD2 LYS 2 HD2 LYS 2 60.051 0.157 11.437 13 HD3 LYS 2 HD1 LYS 2 59.369 1.801 11.398 14 HE2 LYS 2 HE2 LYS 2 59.687 0.109 13.916 15 HE3 LYS 2 HE1 LYS 2 60.799 1.406 13.414 16 HZ1 LYS 2 HZ1 LYS 2 59.247 2.326 14.941 17 HZ2 LYS 2 HZ2 LYS 2 57.919 1.662 14.115 18 HZ3 LYS 2 HZ3 LYS 2 58.827 2.910 13.406 19 H GLY 3 HN GLY 3 56.752 0.887 8.253 20 HA2 GLY 3 HA1 GLY 3 56.671 -0.592 6.035 21 HA3 GLY 3 HA2 GLY 3 54.885 -0.636 6.408 22 H ARG 4 HN ARG 4 54.083 0.908 7.364 23 HA ARG 4 HA ARG 4 53.397 1.370 5.084 24 HB2 ARG 4 HB2 ARG 4 52.399 3.048 7.437 25 HB3 ARG 4 HB1 ARG 4 51.555 2.910 5.874 26 HG2 ARG 4 HG2 ARG 4 51.381 0.476 6.143 27 HG3 ARG 4 HG1 ARG 4 52.309 0.554 7.660 28 HD2 ARG 4 HD2 ARG 4 49.634 1.936 7.174 29 HD3 ARG 4 HD1 ARG 4 49.852 0.416 8.075 30 HE ARG 4 HE ARG 4 51.563 2.409 9.210 31 HH11 ARG 4 HH11 ARG 4 50.104 4.416 9.824 32 HH12 ARG 4 HH12 ARG 4 48.784 3.949 10.846 33 HH21 ARG 4 HH21 ARG 4 49.055 0.573 10.100 34 HH22 ARG 4 HH22 ARG 4 48.191 1.774 11.001 35 H TRP 5 HN TRP 5 55.719 2.932 6.604 36 HA TRP 5 HA TRP 5 55.789 5.673 6.149 37 HB2 TRP 5 HB2 TRP 5 57.675 4.359 7.083 38 HB3 TRP 5 HB1 TRP 5 58.038 3.738 5.455 39 HD1 TRP 5 HD1 TRP 5 57.719 7.149 7.270 40 HE1 TRP 5 HE1 TRP 5 59.401 8.826 6.213 41 HE3 TRP 5 HE3 TRP 5 59.584 4.178 3.542 42 HZ2 TRP 5 HZ2 TRP 5 61.289 8.843 4.039 43 HZ3 TRP 5 HZ3 TRP 5 61.324 5.045 1.988 44 HH2 TRP 5 HH2 TRP 5 62.179 7.372 2.232 45 H LEU 6 HN LEU 6 55.507 3.188 3.775 46 HA LEU 6 HA LEU 6 55.843 5.203 1.562 47 HB2 LEU 6 HB2 LEU 6 57.579 3.487 1.437 48 HB3 LEU 6 HB1 LEU 6 56.366 2.199 1.594 49 HG LEU 6 HG LEU 6 55.377 2.807 -0.570 50 HD11 LEU 6 HD11 LEU 6 56.755 4.549 -1.969 51 HD12 LEU 6 HD12 LEU 6 57.341 5.124 -0.389 52 HD13 LEU 6 HD13 LEU 6 55.601 5.163 -0.764 53 HD21 LEU 6 HD21 LEU 6 57.414 1.303 -0.425 54 HD22 LEU 6 HD22 LEU 6 58.412 2.719 -0.835 55 HD23 LEU 6 HD23 LEU 6 57.207 2.111 -1.996 56 H GLU 7 HN GLU 7 53.766 2.984 3.270 57 HA GLU 7 HA GLU 7 51.856 2.796 0.987 58 HB2 GLU 7 HB2 GLU 7 52.479 0.910 2.714 59 HB3 GLU 7 HB1 GLU 7 51.361 1.763 3.801 60 HG2 GLU 7 HG2 GLU 7 49.584 1.601 2.029 61 HG3 GLU 7 HG1 GLU 7 50.713 0.657 1.029 62 H ARG 8 HN ARG 8 52.606 5.348 2.469 63 HA ARG 8 HA ARG 8 50.561 6.213 4.193 64 HB2 ARG 8 HB2 ARG 8 52.014 7.787 2.031 65 HB3 ARG 8 HB1 ARG 8 51.082 8.501 3.370 66 HG2 ARG 8 HG2 ARG 8 52.570 7.440 5.013 67 HG3 ARG 8 HG1 ARG 8 53.475 6.639 3.706 68 HD2 ARG 8 HD2 ARG 8 54.002 8.928 2.770 69 HD3 ARG 8 HD1 ARG 8 53.256 9.635 4.223 70 HE ARG 8 HE ARG 8 55.157 7.801 5.174 71 HH11 ARG 8 HH11 ARG 8 56.829 8.469 2.855 72 HH12 ARG 8 HH12 ARG 8 57.661 9.900 3.364 73 HH21 ARG 8 HH21 ARG 8 55.469 10.570 5.965 74 HH22 ARG 8 HH22 ARG 8 56.890 11.090 5.123 75 H ILE 9 HN ILE 9 48.470 6.750 4.010 76 HA ILE 9 HA ILE 9 47.092 6.136 1.524 77 HB ILE 9 HB ILE 9 46.057 5.801 3.774 78 HG12 ILE 9 HG12 ILE 9 44.573 7.809 2.014 79 HG13 ILE 9 HG11 ILE 9 44.678 6.059 1.706 80 HG21 ILE 9 HG21 ILE 9 45.615 8.806 3.898 81 HG22 ILE 9 HG22 ILE 9 47.055 8.064 4.635 82 HG23 ILE 9 HG23 ILE 9 45.431 7.593 5.185 83 HD11 ILE 9 HD1 ILE 9 43.348 7.465 4.054 84 HD12 ILE 9 HD2 ILE 9 43.698 5.720 4.051 85 HD13 ILE 9 HD3 ILE 9 42.591 6.409 2.840 86 H GLY 10 HN GLY 10 46.879 7.391 -0.187 87 HA2 GLY 10 HA1 GLY 10 47.675 10.204 -0.066 88 HA3 GLY 10 HA2 GLY 10 47.120 9.309 -1.494 89 H LYS 11 HN LYS 11 44.671 8.390 -0.009 90 HA LYS 11 HA LYS 11 42.958 10.542 -0.861 91 HB2 LYS 11 HB2 LYS 11 42.397 8.150 0.932 92 HB3 LYS 11 HB1 LYS 11 41.155 9.222 0.238 93 HG2 LYS 11 HG2 LYS 11 42.143 8.669 -2.061 94 HG3 LYS 11 HG1 LYS 11 43.088 7.398 -1.253 95 HD2 LYS 11 HD2 LYS 11 40.047 7.650 -1.272 96 HD3 LYS 11 HD1 LYS 11 41.007 6.454 -2.174 97 HE2 LYS 11 HE2 LYS 11 40.574 6.663 0.823 98 HE3 LYS 11 HE1 LYS 11 40.304 5.269 -0.246 99 HZ1 LYS 11 HZ1 LYS 11 42.305 4.903 0.963 100 HZ2 LYS 11 HZ2 LYS 11 42.919 6.435 0.563 101 HZ3 LYS 11 HZ3 LYS 11 42.745 5.247 -0.638 102 H ALA 12 HN ALA 12 43.143 12.475 0.115 103 HA ALA 12 HA ALA 12 43.704 12.783 2.926 104 HB1 ALA 12 HB1 ALA 12 42.468 14.670 0.894 105 HB2 ALA 12 HB2 ALA 12 44.188 14.557 1.336 106 HB3 ALA 12 HB3 ALA 12 42.998 15.144 2.525 107 H GLY 13 HN GLY 13 41.044 11.534 1.394 108 HA2 GLY 13 HA1 GLY 13 38.811 11.288 1.980 109 HA3 GLY 13 HA2 GLY 13 39.441 11.242 3.640 110 H PHE 14 HN PHE 14 39.779 14.058 1.566 111 HA PHE 14 HA PHE 14 37.395 15.393 2.621 112 HB2 PHE 14 HB2 PHE 14 39.046 15.429 4.560 113 HB3 PHE 14 HB1 PHE 14 40.093 16.448 3.546 114 HD1 PHE 14 HD1 PHE 14 36.477 16.225 4.633 115 HD2 PHE 14 HD2 PHE 14 39.834 18.791 3.728 116 HE1 PHE 14 HE1 PHE 14 35.132 18.219 5.276 117 HE2 PHE 14 HE2 PHE 14 38.484 20.781 4.371 118 HZ PHE 14 HZ PHE 14 36.115 20.500 5.089 119 H ILE 15 HN ILE 15 40.159 15.136 0.597 120 HA ILE 15 HA ILE 15 39.054 17.186 -1.194 121 HB ILE 15 HB ILE 15 41.295 18.387 -1.399 122 HG12 ILE 15 HG12 ILE 15 41.782 16.916 1.233 123 HG13 ILE 15 HG11 ILE 15 42.698 16.707 -0.277 124 HG21 ILE 15 HG21 ILE 15 40.809 19.935 0.358 125 HG22 ILE 15 HG22 ILE 15 40.080 18.673 1.378 126 HG23 ILE 15 HG23 ILE 15 39.242 19.230 -0.089 127 HD11 ILE 15 HD1 ILE 15 42.644 19.101 1.587 128 HD12 ILE 15 HD2 ILE 15 43.172 19.267 -0.106 129 HD13 ILE 15 HD3 ILE 15 44.047 18.181 0.999 130 H ILE 16 HN ILE 16 39.017 14.625 -1.719 131 HA ILE 16 HA ILE 16 41.089 14.365 -3.850 132 HB ILE 16 HB ILE 16 41.861 13.089 -1.790 133 HG12 ILE 16 HG12 ILE 16 42.213 10.902 -3.088 134 HG13 ILE 16 HG11 ILE 16 41.178 11.580 -4.360 135 HG21 ILE 16 HG21 ILE 16 39.572 11.201 -2.446 136 HG22 ILE 16 HG22 ILE 16 39.457 12.439 -1.170 137 HG23 ILE 16 HG23 ILE 16 40.678 11.151 -1.055 138 HD11 ILE 16 HD1 ILE 16 43.550 13.201 -3.376 139 HD12 ILE 16 HD2 ILE 16 42.765 13.205 -4.973 140 HD13 ILE 16 HD3 ILE 16 43.818 11.853 -4.506 141 H ILE 17 HN ILE 17 38.097 13.119 -2.321 142 HA ILE 17 HA ILE 17 37.248 11.657 -4.656 143 HB ILE 17 HB ILE 17 35.083 11.476 -3.648 144 HG12 ILE 17 HG12 ILE 17 34.547 13.764 -3.087 145 HG13 ILE 17 HG11 ILE 17 34.463 12.829 -1.586 146 HG21 ILE 17 HG21 ILE 17 37.370 11.427 -1.655 147 HG22 ILE 17 HG22 ILE 17 36.593 10.075 -2.497 148 HG23 ILE 17 HG23 ILE 17 35.731 10.920 -1.194 149 HD11 ILE 17 HD1 ILE 17 35.618 14.870 -1.070 150 HD12 ILE 17 HD2 ILE 17 36.681 14.714 -2.480 151 HD13 ILE 17 HD3 ILE 17 36.857 13.601 -1.105 152 H GLY 18 HN GLY 18 37.769 14.895 -4.251 153 HA2 GLY 18 HA1 GLY 18 36.443 15.559 -6.728 154 HA3 GLY 18 HA2 GLY 18 35.554 16.213 -5.339 155 H GLY 19 HN GLY 19 38.164 16.413 -3.808 156 HA2 GLY 19 HA1 GLY 19 38.763 19.143 -4.654 157 HA3 GLY 19 HA2 GLY 19 39.494 18.256 -3.302 158 H ALA 20 HN ALA 20 39.647 16.318 -6.015 159 HA ALA 20 HA ALA 20 42.533 16.721 -6.237 160 HB1 ALA 20 HB1 ALA 20 40.677 15.042 -7.959 161 HB2 ALA 20 HB2 ALA 20 41.405 14.501 -6.426 162 HB3 ALA 20 HB3 ALA 20 42.444 14.886 -7.820 163 H LEU 21 HN LEU 21 39.709 17.974 -7.807 164 HA LEU 21 HA LEU 21 39.460 19.384 -9.632 165 HB2 LEU 21 HB2 LEU 21 42.421 20.015 -9.388 166 HB3 LEU 21 HB1 LEU 21 41.099 21.077 -9.929 167 HG LEU 21 HG LEU 21 41.542 20.009 -7.105 168 HD11 LEU 21 HD11 LEU 21 41.610 22.827 -8.276 169 HD12 LEU 21 HD12 LEU 21 43.031 21.871 -7.792 170 HD13 LEU 21 HD13 LEU 21 41.858 22.403 -6.565 171 HD21 LEU 21 HD21 LEU 21 39.258 21.581 -8.371 172 HD22 LEU 21 HD22 LEU 21 39.582 21.631 -6.621 173 HD23 LEU 21 HD23 LEU 21 39.167 20.089 -7.405 174 H ASP 22 HN ASP 22 40.747 16.543 -9.851 175 HA ASP 22 HA ASP 22 42.327 16.680 -12.292 176 HB2 ASP 22 HB2 ASP 22 42.429 14.822 -10.586 177 HB3 ASP 22 HB1 ASP 22 40.825 14.295 -11.149 178 H HIS 23 HN HIS 23 39.057 15.328 -11.622 179 HA HIS 23 HA HIS 23 37.900 16.596 -13.951 180 HB2 HIS 23 HB2 HIS 23 39.284 14.899 -15.118 181 HB3 HIS 23 HB1 HIS 23 38.482 13.616 -14.181 182 HD1 HIS 23 HD1 HIS 23 37.745 16.319 -16.778 183 HD2 HIS 23 HD2 HIS 23 36.002 12.836 -15.195 184 HE1 HIS 23 HE1 HIS 23 35.659 15.816 -18.162 185 H LEU 24 HN LEU 24 37.787 15.133 -11.014 186 HA LEU 24 HA LEU 24 35.213 13.793 -11.174 187 HB2 LEU 24 HB2 LEU 24 36.963 14.795 -8.911 188 HB3 LEU 24 HB1 LEU 24 35.359 14.109 -8.592 189 HG LEU 24 HG LEU 24 37.342 12.494 -8.430 190 HD11 LEU 24 HD11 LEU 24 35.373 11.574 -10.560 191 HD12 LEU 24 HD12 LEU 24 34.853 11.869 -8.887 192 HD13 LEU 24 HD13 LEU 24 36.098 10.650 -9.229 193 HD21 LEU 24 HD21 LEU 24 38.483 13.443 -10.493 194 HD22 LEU 24 HD22 LEU 24 37.259 12.606 -11.477 195 HD23 LEU 24 HD23 LEU 24 38.367 11.670 -10.448 Start of MODEL 84 1 H1 GLY 1 HT1 GLY 1 64.226 1.697 6.048 2 H2 GLY 1 HT2 GLY 1 64.096 3.332 5.606 3 H3 GLY 1 HT3 GLY 1 63.029 2.182 4.951 4 HA2 GLY 1 HA1 GLY 1 62.927 2.042 7.733 5 HA3 GLY 1 HA2 GLY 1 62.723 3.727 7.214 6 H LYS 2 HN LYS 2 60.585 2.976 8.357 7 HA LYS 2 HA LYS 2 58.757 1.378 6.779 8 HB2 LYS 2 HB2 LYS 2 58.572 1.855 9.258 9 HB3 LYS 2 HB1 LYS 2 58.064 3.508 8.836 10 HG2 LYS 2 HG2 LYS 2 56.178 2.592 7.511 11 HG3 LYS 2 HG1 LYS 2 56.682 0.939 7.941 12 HD2 LYS 2 HD2 LYS 2 56.269 1.355 10.298 13 HD3 LYS 2 HD1 LYS 2 55.962 3.081 9.986 14 HE2 LYS 2 HE2 LYS 2 53.824 1.913 10.228 15 HE3 LYS 2 HE1 LYS 2 54.021 2.433 8.537 16 HZ1 LYS 2 HZ1 LYS 2 53.558 -0.135 9.457 17 HZ2 LYS 2 HZ2 LYS 2 55.179 -0.130 8.947 18 HZ3 LYS 2 HZ3 LYS 2 53.946 0.332 7.873 19 H GLY 3 HN GLY 3 59.185 2.358 4.662 20 HA2 GLY 3 HA1 GLY 3 58.748 4.954 3.769 21 HA3 GLY 3 HA2 GLY 3 58.037 3.531 2.876 22 H ARG 4 HN ARG 4 56.743 2.371 3.844 23 HA ARG 4 HA ARG 4 55.243 3.696 2.477 24 HB2 ARG 4 HB2 ARG 4 54.301 1.343 4.182 25 HB3 ARG 4 HB1 ARG 4 53.352 2.008 2.828 26 HG2 ARG 4 HG2 ARG 4 55.208 1.578 1.273 27 HG3 ARG 4 HG1 ARG 4 56.228 1.003 2.615 28 HD2 ARG 4 HD2 ARG 4 54.416 -0.756 3.066 29 HD3 ARG 4 HD1 ARG 4 53.701 -0.282 1.507 30 HE ARG 4 HE ARG 4 56.538 -0.908 1.273 31 HH11 ARG 4 HH11 ARG 4 54.628 -3.081 2.642 32 HH12 ARG 4 HH12 ARG 4 54.435 -4.141 1.285 33 HH21 ARG 4 HH21 ARG 4 55.741 -1.883 -1.000 34 HH22 ARG 4 HH22 ARG 4 55.066 -3.463 -0.776 35 H TRP 5 HN TRP 5 55.649 4.110 5.612 36 HA TRP 5 HA TRP 5 53.326 4.660 7.030 37 HB2 TRP 5 HB2 TRP 5 55.644 5.073 7.854 38 HB3 TRP 5 HB1 TRP 5 55.706 6.548 6.858 39 HD1 TRP 5 HD1 TRP 5 53.246 5.046 9.468 40 HE1 TRP 5 HE1 TRP 5 52.411 6.952 11.026 41 HE3 TRP 5 HE3 TRP 5 55.754 8.974 7.350 42 HZ2 TRP 5 HZ2 TRP 5 52.800 9.794 11.289 43 HZ3 TRP 5 HZ3 TRP 5 55.507 11.274 8.270 44 HH2 TRP 5 HH2 TRP 5 54.034 11.687 10.236 45 H LEU 6 HN LEU 6 54.345 6.164 4.096 46 HA LEU 6 HA LEU 6 52.229 8.287 4.383 47 HB2 LEU 6 HB2 LEU 6 54.470 9.226 4.121 48 HB3 LEU 6 HB1 LEU 6 54.770 8.201 2.704 49 HG LEU 6 HG LEU 6 53.015 9.367 1.437 50 HD11 LEU 6 HD11 LEU 6 52.510 10.716 4.117 51 HD12 LEU 6 HD12 LEU 6 51.339 9.960 3.011 52 HD13 LEU 6 HD13 LEU 6 52.068 11.525 2.595 53 HD21 LEU 6 HD21 LEU 6 54.085 11.584 1.305 54 HD22 LEU 6 HD22 LEU 6 55.315 10.311 1.492 55 HD23 LEU 6 HD23 LEU 6 54.857 11.320 2.885 56 H GLU 7 HN GLU 7 53.269 5.408 2.643 57 HA GLU 7 HA GLU 7 51.596 6.063 0.282 58 HB2 GLU 7 HB2 GLU 7 53.752 4.767 0.137 59 HB3 GLU 7 HB1 GLU 7 52.954 3.444 1.015 60 HG2 GLU 7 HG2 GLU 7 51.327 3.143 -0.743 61 HG3 GLU 7 HG1 GLU 7 51.853 4.631 -1.566 62 H ARG 8 HN ARG 8 51.167 4.713 3.405 63 HA ARG 8 HA ARG 8 49.039 2.849 2.708 64 HB2 ARG 8 HB2 ARG 8 50.373 2.634 4.780 65 HB3 ARG 8 HB1 ARG 8 49.695 4.170 5.368 66 HG2 ARG 8 HG2 ARG 8 47.463 3.260 5.436 67 HG3 ARG 8 HG1 ARG 8 47.969 1.794 4.562 68 HD2 ARG 8 HD2 ARG 8 47.712 1.490 7.069 69 HD3 ARG 8 HD1 ARG 8 49.315 1.054 6.431 70 HE ARG 8 HE ARG 8 50.134 2.684 7.914 71 HH11 ARG 8 HH11 ARG 8 46.915 3.090 8.289 72 HH12 ARG 8 HH12 ARG 8 46.922 4.817 8.412 73 HH21 ARG 8 HH21 ARG 8 50.217 5.140 7.383 74 HH22 ARG 8 HH22 ARG 8 48.792 5.977 7.901 75 H ILE 9 HN ILE 9 48.646 5.573 4.985 76 HA ILE 9 HA ILE 9 45.894 5.894 4.283 77 HB ILE 9 HB ILE 9 46.729 6.603 6.467 78 HG12 ILE 9 HG12 ILE 9 45.701 8.836 6.630 79 HG13 ILE 9 HG11 ILE 9 45.797 9.041 4.872 80 HG21 ILE 9 HG21 ILE 9 48.155 8.995 5.266 81 HG22 ILE 9 HG22 ILE 9 48.996 7.430 5.370 82 HG23 ILE 9 HG23 ILE 9 48.386 8.214 6.845 83 HD11 ILE 9 HD1 ILE 9 44.352 6.641 6.042 84 HD12 ILE 9 HD2 ILE 9 44.123 7.426 4.460 85 HD13 ILE 9 HD3 ILE 9 43.537 8.218 5.939 86 H GLY 10 HN GLY 10 46.015 5.918 1.977 87 HA2 GLY 10 HA1 GLY 10 47.238 8.243 0.654 88 HA3 GLY 10 HA2 GLY 10 46.306 6.941 -0.110 89 H LYS 11 HN LYS 11 44.188 7.455 2.088 90 HA LYS 11 HA LYS 11 42.594 9.265 0.447 91 HB2 LYS 11 HB2 LYS 11 42.100 7.983 3.158 92 HB3 LYS 11 HB1 LYS 11 40.893 8.934 2.260 93 HG2 LYS 11 HG2 LYS 11 41.202 7.356 0.308 94 HG3 LYS 11 HG1 LYS 11 42.241 6.352 1.342 95 HD2 LYS 11 HD2 LYS 11 39.421 7.108 2.217 96 HD3 LYS 11 HD1 LYS 11 39.707 5.723 1.142 97 HE2 LYS 11 HE2 LYS 11 40.911 6.119 3.920 98 HE3 LYS 11 HE1 LYS 11 39.630 4.970 3.478 99 HZ1 LYS 11 HZ1 LYS 11 41.181 3.529 2.880 100 HZ2 LYS 11 HZ2 LYS 11 42.407 4.626 3.303 101 HZ3 LYS 11 HZ3 LYS 11 41.785 4.610 1.722 102 H ALA 12 HN ALA 12 43.316 11.336 0.410 103 HA ALA 12 HA ALA 12 44.352 12.695 2.736 104 HB1 ALA 12 HB1 ALA 12 44.848 13.376 0.409 105 HB2 ALA 12 HB2 ALA 12 44.163 14.716 1.361 106 HB3 ALA 12 HB3 ALA 12 43.144 13.841 0.192 107 H GLY 13 HN GLY 13 41.318 11.548 2.135 108 HA2 GLY 13 HA1 GLY 13 39.212 12.061 2.948 109 HA3 GLY 13 HA2 GLY 13 40.084 12.737 4.337 110 H PHE 14 HN PHE 14 39.886 13.781 0.908 111 HA PHE 14 HA PHE 14 38.145 16.010 1.516 112 HB2 PHE 14 HB2 PHE 14 40.297 16.749 2.623 113 HB3 PHE 14 HB1 PHE 14 41.054 16.742 1.013 114 HD1 PHE 14 HD1 PHE 14 41.002 18.756 -0.228 115 HD2 PHE 14 HD2 PHE 14 37.946 18.028 2.736 116 HE1 PHE 14 HE1 PHE 14 40.042 21.013 -0.661 117 HE2 PHE 14 HE2 PHE 14 36.989 20.285 2.300 118 HZ PHE 14 HZ PHE 14 38.071 21.799 0.643 119 H ILE 15 HN ILE 15 40.716 14.681 -0.580 120 HA ILE 15 HA ILE 15 38.942 15.033 -2.914 121 HB ILE 15 HB ILE 15 40.851 16.181 -4.223 122 HG12 ILE 15 HG12 ILE 15 41.743 16.809 -1.367 123 HG13 ILE 15 HG11 ILE 15 42.612 15.759 -2.508 124 HG21 ILE 15 HG21 ILE 15 40.094 18.385 -3.623 125 HG22 ILE 15 HG22 ILE 15 39.666 17.864 -1.977 126 HG23 ILE 15 HG23 ILE 15 38.710 17.301 -3.369 127 HD11 ILE 15 HD1 ILE 15 43.713 17.839 -2.741 128 HD12 ILE 15 HD2 ILE 15 42.197 18.761 -2.633 129 HD13 ILE 15 HD3 ILE 15 42.572 17.834 -4.107 130 H ILE 16 HN ILE 16 39.346 12.677 -2.110 131 HA ILE 16 HA ILE 16 41.266 11.511 -4.050 132 HB ILE 16 HB ILE 16 41.387 11.093 -1.038 133 HG12 ILE 16 HG12 ILE 16 42.877 12.826 -1.961 134 HG13 ILE 16 HG11 ILE 16 43.810 11.449 -1.347 135 HG21 ILE 16 HG21 ILE 16 42.031 9.123 -3.233 136 HG22 ILE 16 HG22 ILE 16 41.447 8.833 -1.582 137 HG23 ILE 16 HG23 ILE 16 43.163 9.214 -1.861 138 HD11 ILE 16 HD1 ILE 16 43.640 10.643 -3.918 139 HD12 ILE 16 HD2 ILE 16 44.890 11.781 -3.389 140 HD13 ILE 16 HD3 ILE 16 43.429 12.384 -4.196 141 H ILE 17 HN ILE 17 38.940 10.917 -1.393 142 HA ILE 17 HA ILE 17 38.090 8.366 -2.524 143 HB ILE 17 HB ILE 17 36.079 8.803 -0.837 144 HG12 ILE 17 HG12 ILE 17 36.583 10.400 0.931 145 HG13 ILE 17 HG11 ILE 17 38.138 10.816 0.183 146 HG21 ILE 17 HG21 ILE 17 38.970 8.502 0.094 147 HG22 ILE 17 HG22 ILE 17 37.890 7.188 -0.436 148 HG23 ILE 17 HG23 ILE 17 37.530 8.090 1.057 149 HD11 ILE 17 HD1 ILE 17 35.487 11.199 -1.260 150 HD12 ILE 17 HD2 ILE 17 37.072 11.906 -1.664 151 HD13 ILE 17 HD3 ILE 17 36.195 12.454 -0.218 152 H GLY 18 HN GLY 18 37.870 11.238 -3.872 153 HA2 GLY 18 HA1 GLY 18 35.623 10.523 -5.524 154 HA3 GLY 18 HA2 GLY 18 35.162 11.794 -4.376 155 H GLY 19 HN GLY 19 37.678 13.127 -4.234 156 HA2 GLY 19 HA1 GLY 19 37.410 14.979 -6.337 157 HA3 GLY 19 HA2 GLY 19 38.867 14.769 -5.345 158 H ALA 20 HN ALA 20 39.377 12.034 -6.130 159 HA ALA 20 HA ALA 20 40.619 10.935 -7.747 160 HB1 ALA 20 HB1 ALA 20 38.356 11.069 -8.879 161 HB2 ALA 20 HB2 ALA 20 39.749 10.900 -9.975 162 HB3 ALA 20 HB3 ALA 20 38.969 12.486 -9.765 163 H LEU 21 HN LEU 21 40.960 14.065 -7.068 164 HA LEU 21 HA LEU 21 42.485 15.713 -7.647 165 HB2 LEU 21 HB2 LEU 21 43.915 13.594 -7.052 166 HB3 LEU 21 HB1 LEU 21 44.235 13.516 -8.797 167 HG LEU 21 HG LEU 21 44.848 16.103 -8.503 168 HD11 LEU 21 HD11 LEU 21 45.931 16.513 -6.281 169 HD12 LEU 21 HD12 LEU 21 45.252 14.980 -5.691 170 HD13 LEU 21 HD13 LEU 21 44.169 16.314 -6.149 171 HD21 LEU 21 HD21 LEU 21 47.210 15.440 -7.983 172 HD22 LEU 21 HD22 LEU 21 46.459 14.401 -9.218 173 HD23 LEU 21 HD23 LEU 21 46.628 13.816 -7.546 174 H ASP 22 HN ASP 22 40.500 14.713 -9.700 175 HA ASP 22 HA ASP 22 41.825 14.943 -12.278 176 HB2 ASP 22 HB2 ASP 22 39.641 13.753 -11.862 177 HB3 ASP 22 HB1 ASP 22 38.881 15.346 -11.628 178 H HIS 23 HN HIS 23 39.629 17.115 -10.427 179 HA HIS 23 HA HIS 23 41.148 19.459 -11.235 180 HB2 HIS 23 HB2 HIS 23 39.288 20.519 -12.545 181 HB3 HIS 23 HB1 HIS 23 40.034 19.128 -13.367 182 HD1 HIS 23 HD1 HIS 23 38.558 17.162 -13.946 183 HD2 HIS 23 HD2 HIS 23 36.686 19.908 -11.372 184 HE1 HIS 23 HE1 HIS 23 36.125 16.425 -13.687 185 H LEU 24 HN LEU 24 38.827 17.782 -9.428 186 HA LEU 24 HA LEU 24 37.391 20.068 -8.349 187 HB2 LEU 24 HB2 LEU 24 36.616 17.633 -8.348 188 HB3 LEU 24 HB1 LEU 24 37.796 17.350 -7.051 189 HG LEU 24 HG LEU 24 36.617 19.399 -5.861 190 HD11 LEU 24 HD11 LEU 24 35.177 20.162 -7.665 191 HD12 LEU 24 HD12 LEU 24 34.139 19.444 -6.416 192 HD13 LEU 24 HD13 LEU 24 34.509 18.529 -7.894 193 HD21 LEU 24 HD21 LEU 24 36.543 17.069 -5.039 194 HD22 LEU 24 HD22 LEU 24 35.215 16.703 -6.168 195 HD23 LEU 24 HD23 LEU 24 34.962 17.859 -4.837 Start of MODEL 85 1 H1 GLY 1 HT1 GLY 1 62.001 -3.340 7.077 2 H2 GLY 1 HT2 GLY 1 61.527 -2.373 5.762 3 H3 GLY 1 HT3 GLY 1 61.243 -4.048 5.735 4 HA2 GLY 1 HA1 GLY 1 59.257 -3.655 6.492 5 HA3 GLY 1 HA2 GLY 1 60.057 -3.235 8.020 6 H LYS 2 HN LYS 2 58.367 -2.085 5.217 7 HA LYS 2 HA LYS 2 57.791 0.433 6.530 8 HB2 LYS 2 HB2 LYS 2 60.184 0.719 5.574 9 HB3 LYS 2 HB1 LYS 2 59.412 0.694 3.974 10 HG2 LYS 2 HG2 LYS 2 59.397 2.998 4.414 11 HG3 LYS 2 HG1 LYS 2 57.805 2.544 5.058 12 HD2 LYS 2 HD2 LYS 2 58.740 2.418 7.339 13 HD3 LYS 2 HD1 LYS 2 60.363 2.784 6.711 14 HE2 LYS 2 HE2 LYS 2 59.412 4.845 7.570 15 HE3 LYS 2 HE1 LYS 2 59.440 4.949 5.793 16 HZ1 LYS 2 HZ1 LYS 2 57.286 5.455 6.022 17 HZ2 LYS 2 HZ2 LYS 2 57.190 4.848 7.605 18 HZ3 LYS 2 HZ3 LYS 2 57.049 3.796 6.279 19 H GLY 3 HN GLY 3 57.814 1.423 3.463 20 HA2 GLY 3 HA1 GLY 3 56.324 0.863 1.560 21 HA3 GLY 3 HA2 GLY 3 55.189 0.016 2.706 22 H ARG 4 HN ARG 4 54.845 0.818 4.484 23 HA ARG 4 HA ARG 4 52.862 1.519 3.278 24 HB2 ARG 4 HB2 ARG 4 53.103 2.084 6.275 25 HB3 ARG 4 HB1 ARG 4 51.578 1.851 5.382 26 HG2 ARG 4 HG2 ARG 4 52.467 -0.402 4.627 27 HG3 ARG 4 HG1 ARG 4 53.832 -0.171 5.747 28 HD2 ARG 4 HD2 ARG 4 50.874 -0.237 6.491 29 HD3 ARG 4 HD1 ARG 4 52.081 -1.496 6.846 30 HE ARG 4 HE ARG 4 53.077 0.896 7.963 31 HH11 ARG 4 HH11 ARG 4 49.849 0.479 8.175 32 HH12 ARG 4 HH12 ARG 4 49.782 0.109 9.865 33 HH21 ARG 4 HH21 ARG 4 53.212 -0.289 10.186 34 HH22 ARG 4 HH22 ARG 4 51.685 -0.326 11.005 35 H TRP 5 HN TRP 5 55.286 3.449 4.000 36 HA TRP 5 HA TRP 5 54.557 5.996 4.827 37 HB2 TRP 5 HB2 TRP 5 56.826 5.432 4.059 38 HB3 TRP 5 HB1 TRP 5 56.250 5.359 2.375 39 HD1 TRP 5 HD1 TRP 5 55.830 7.971 5.227 40 HE1 TRP 5 HE1 TRP 5 56.336 10.337 4.276 41 HE3 TRP 5 HE3 TRP 5 56.979 6.673 0.412 42 HZ2 TRP 5 HZ2 TRP 5 57.130 11.479 1.753 43 HZ3 TRP 5 HZ3 TRP 5 57.607 8.415 -1.251 44 HH2 TRP 5 HH2 TRP 5 57.684 10.816 -0.586 45 H LEU 6 HN LEU 6 53.377 4.316 2.039 46 HA LEU 6 HA LEU 6 52.047 6.811 1.000 47 HB2 LEU 6 HB2 LEU 6 52.294 4.128 -0.407 48 HB3 LEU 6 HB1 LEU 6 51.857 5.703 -1.109 49 HG LEU 6 HG LEU 6 54.570 5.001 0.108 50 HD11 LEU 6 HD11 LEU 6 55.386 4.982 -2.182 51 HD12 LEU 6 HD12 LEU 6 53.794 5.483 -2.801 52 HD13 LEU 6 HD13 LEU 6 54.000 3.869 -2.079 53 HD21 LEU 6 HD21 LEU 6 53.413 7.513 -1.173 54 HD22 LEU 6 HD22 LEU 6 55.168 7.211 -1.124 55 HD23 LEU 6 HD23 LEU 6 54.250 7.353 0.390 56 H GLU 7 HN GLU 7 51.560 3.630 2.465 57 HA GLU 7 HA GLU 7 48.627 3.743 1.894 58 HB2 GLU 7 HB2 GLU 7 50.458 1.680 3.180 59 HB3 GLU 7 HB1 GLU 7 48.685 1.522 3.154 60 HG2 GLU 7 HG2 GLU 7 49.665 0.311 1.248 61 HG3 GLU 7 HG1 GLU 7 48.728 1.708 0.664 62 H ARG 8 HN ARG 8 50.669 5.206 3.992 63 HA ARG 8 HA ARG 8 49.674 4.687 6.582 64 HB2 ARG 8 HB2 ARG 8 51.615 6.198 5.899 65 HB3 ARG 8 HB1 ARG 8 50.401 7.447 5.536 66 HG2 ARG 8 HG2 ARG 8 49.528 7.192 7.891 67 HG3 ARG 8 HG1 ARG 8 50.886 6.091 8.224 68 HD2 ARG 8 HD2 ARG 8 52.505 7.840 7.744 69 HD3 ARG 8 HD1 ARG 8 51.219 8.941 7.195 70 HE ARG 8 HE ARG 8 50.519 8.277 9.816 71 HH11 ARG 8 HH11 ARG 8 51.296 11.048 8.884 72 HH12 ARG 8 HH12 ARG 8 52.651 11.392 9.906 73 HH21 ARG 8 HH21 ARG 8 53.116 8.087 10.849 74 HH22 ARG 8 HH22 ARG 8 53.681 9.716 11.021 75 H ILE 9 HN ILE 9 48.756 7.586 4.673 76 HA ILE 9 HA ILE 9 45.935 7.088 4.881 77 HB ILE 9 HB ILE 9 46.199 7.532 7.262 78 HG12 ILE 9 HG12 ILE 9 44.696 9.455 7.541 79 HG13 ILE 9 HG11 ILE 9 45.069 10.031 5.904 80 HG21 ILE 9 HG21 ILE 9 48.391 8.954 6.787 81 HG22 ILE 9 HG22 ILE 9 47.388 9.317 8.207 82 HG23 ILE 9 HG23 ILE 9 47.262 10.328 6.754 83 HD11 ILE 9 HD1 ILE 9 43.975 7.228 6.328 84 HD12 ILE 9 HD2 ILE 9 43.892 8.255 4.875 85 HD13 ILE 9 HD3 ILE 9 42.879 8.630 6.289 86 H GLY 10 HN GLY 10 46.142 7.629 2.693 87 HA2 GLY 10 HA1 GLY 10 47.143 10.288 1.941 88 HA3 GLY 10 HA2 GLY 10 46.443 9.061 0.867 89 H LYS 11 HN LYS 11 43.976 8.597 1.763 90 HA LYS 11 HA LYS 11 42.494 10.819 0.817 91 HB2 LYS 11 HB2 LYS 11 41.597 8.565 2.654 92 HB3 LYS 11 HB1 LYS 11 40.519 9.652 1.745 93 HG2 LYS 11 HG2 LYS 11 41.419 8.864 -0.378 94 HG3 LYS 11 HG1 LYS 11 42.652 7.890 0.461 95 HD2 LYS 11 HD2 LYS 11 40.775 6.611 1.576 96 HD3 LYS 11 HD1 LYS 11 39.631 7.489 0.532 97 HE2 LYS 11 HE2 LYS 11 40.169 5.330 -0.496 98 HE3 LYS 11 HE1 LYS 11 40.872 6.641 -1.474 99 HZ1 LYS 11 HZ1 LYS 11 42.260 4.533 -0.660 100 HZ2 LYS 11 HZ2 LYS 11 42.544 5.563 0.662 101 HZ3 LYS 11 HZ3 LYS 11 42.964 6.055 -0.908 102 H ALA 12 HN ALA 12 42.788 12.782 1.745 103 HA ALA 12 HA ALA 12 43.077 13.198 4.573 104 HB1 ALA 12 HB1 ALA 12 41.990 15.168 2.535 105 HB2 ALA 12 HB2 ALA 12 43.721 14.800 2.729 106 HB3 ALA 12 HB3 ALA 12 42.811 15.534 4.070 107 H GLY 13 HN GLY 13 40.495 12.000 2.906 108 HA2 GLY 13 HA1 GLY 13 38.252 11.777 3.385 109 HA3 GLY 13 HA2 GLY 13 38.698 12.096 5.075 110 H PHE 14 HN PHE 14 39.684 14.628 3.112 111 HA PHE 14 HA PHE 14 37.123 16.165 3.564 112 HB2 PHE 14 HB2 PHE 14 38.972 16.722 5.223 113 HB3 PHE 14 HB1 PHE 14 39.946 17.278 3.842 114 HD1 PHE 14 HD1 PHE 14 36.506 17.688 5.337 115 HD2 PHE 14 HD2 PHE 14 39.745 19.539 3.164 116 HE1 PHE 14 HE1 PHE 14 35.303 19.870 5.399 117 HE2 PHE 14 HE2 PHE 14 38.542 21.719 3.227 118 HZ PHE 14 HZ PHE 14 36.361 21.901 4.418 119 H ILE 15 HN ILE 15 39.763 15.196 1.593 120 HA ILE 15 HA ILE 15 38.582 16.622 -0.731 121 HB ILE 15 HB ILE 15 41.601 16.771 -0.326 122 HG12 ILE 15 HG12 ILE 15 39.508 18.780 0.625 123 HG13 ILE 15 HG11 ILE 15 40.642 17.867 1.648 124 HG21 ILE 15 HG21 ILE 15 39.755 18.686 -1.809 125 HG22 ILE 15 HG22 ILE 15 40.344 17.191 -2.571 126 HG23 ILE 15 HG23 ILE 15 41.502 18.429 -2.032 127 HD11 ILE 15 HD1 ILE 15 42.523 18.966 0.252 128 HD12 ILE 15 HD2 ILE 15 41.645 20.012 1.392 129 HD13 ILE 15 HD3 ILE 15 41.265 20.074 -0.344 130 H ILE 16 HN ILE 16 41.416 15.849 -1.934 131 HA ILE 16 HA ILE 16 42.129 14.066 -3.235 132 HB ILE 16 HB ILE 16 41.197 12.373 -0.869 133 HG12 ILE 16 HG12 ILE 16 42.559 14.108 0.068 134 HG13 ILE 16 HG11 ILE 16 43.617 12.694 -0.081 135 HG21 ILE 16 HG21 ILE 16 43.309 11.033 -1.667 136 HG22 ILE 16 HG22 ILE 16 43.110 11.927 -3.192 137 HG23 ILE 16 HG23 ILE 16 41.803 10.885 -2.595 138 HD11 ILE 16 HD1 ILE 16 43.570 15.217 -1.770 139 HD12 ILE 16 HD2 ILE 16 44.319 13.723 -2.378 140 HD13 ILE 16 HD3 ILE 16 44.935 14.486 -0.897 141 H ILE 17 HN ILE 17 39.588 12.167 -1.574 142 HA ILE 17 HA ILE 17 38.622 11.234 -4.156 143 HB ILE 17 HB ILE 17 38.496 9.737 -2.216 144 HG12 ILE 17 HG12 ILE 17 36.173 9.018 -2.363 145 HG13 ILE 17 HG11 ILE 17 35.657 10.620 -2.929 146 HG21 ILE 17 HG21 ILE 17 36.537 11.739 -1.016 147 HG22 ILE 17 HG22 ILE 17 38.240 11.586 -0.522 148 HG23 ILE 17 HG23 ILE 17 37.116 10.230 -0.275 149 HD11 ILE 17 HD1 ILE 17 36.000 8.711 -4.697 150 HD12 ILE 17 HD2 ILE 17 37.735 9.036 -4.480 151 HD13 ILE 17 HD3 ILE 17 36.652 10.325 -5.058 152 H GLY 18 HN GLY 18 37.577 13.579 -1.698 153 HA2 GLY 18 HA1 GLY 18 35.020 14.138 -2.900 154 HA3 GLY 18 HA2 GLY 18 35.895 15.171 -1.749 155 H GLY 19 HN GLY 19 38.184 15.820 -3.031 156 HA2 GLY 19 HA1 GLY 19 37.198 17.723 -5.025 157 HA3 GLY 19 HA2 GLY 19 38.860 17.564 -4.424 158 H ALA 20 HN ALA 20 39.486 14.960 -5.000 159 HA ALA 20 HA ALA 20 40.445 13.805 -6.777 160 HB1 ALA 20 HB1 ALA 20 38.868 12.890 -8.334 161 HB2 ALA 20 HB2 ALA 20 37.740 14.244 -8.077 162 HB3 ALA 20 HB3 ALA 20 38.032 13.067 -6.774 163 H LEU 21 HN LEU 21 41.258 16.418 -6.858 164 HA LEU 21 HA LEU 21 40.714 17.699 -9.393 165 HB2 LEU 21 HB2 LEU 21 43.225 18.012 -7.708 166 HB3 LEU 21 HB1 LEU 21 42.493 19.196 -8.816 167 HG LEU 21 HG LEU 21 41.231 18.155 -6.239 168 HD11 LEU 21 HD11 LEU 21 41.622 20.469 -5.431 169 HD12 LEU 21 HD12 LEU 21 42.438 20.863 -6.962 170 HD13 LEU 21 HD13 LEU 21 43.151 19.665 -5.855 171 HD21 LEU 21 HD21 LEU 21 39.426 18.691 -7.701 172 HD22 LEU 21 HD22 LEU 21 40.296 20.072 -8.415 173 HD23 LEU 21 HD23 LEU 21 39.663 20.177 -6.755 174 H ASP 22 HN ASP 22 42.679 15.018 -8.448 175 HA ASP 22 HA ASP 22 44.809 15.148 -10.287 176 HB2 ASP 22 HB2 ASP 22 43.202 12.760 -9.303 177 HB3 ASP 22 HB1 ASP 22 44.714 12.623 -10.233 178 H HIS 23 HN HIS 23 42.466 12.627 -10.983 179 HA HIS 23 HA HIS 23 42.647 13.243 -13.853 180 HB2 HIS 23 HB2 HIS 23 42.630 10.911 -12.968 181 HB3 HIS 23 HB1 HIS 23 40.964 11.168 -12.396 182 HD1 HIS 23 HD1 HIS 23 41.802 12.886 -15.580 183 HD2 HIS 23 HD2 HIS 23 40.270 9.142 -14.433 184 HE1 HIS 23 HE1 HIS 23 40.734 11.835 -17.648 185 H LEU 24 HN LEU 24 41.072 14.861 -11.599 186 HA LEU 24 HA LEU 24 39.022 15.782 -13.443 187 HB2 LEU 24 HB2 LEU 24 37.806 13.821 -12.739 188 HB3 LEU 24 HB1 LEU 24 38.205 14.111 -11.033 189 HG LEU 24 HG LEU 24 36.791 16.079 -10.955 190 HD11 LEU 24 HD11 LEU 24 37.150 17.156 -13.054 191 HD12 LEU 24 HD12 LEU 24 35.443 16.663 -13.096 192 HD13 LEU 24 HD13 LEU 24 36.666 15.712 -13.975 193 HD21 LEU 24 HD21 LEU 24 35.660 13.883 -10.751 194 HD22 LEU 24 HD22 LEU 24 35.399 13.853 -12.512 195 HD23 LEU 24 HD23 LEU 24 34.593 15.087 -11.512 Start of MODEL 86 1 H1 GLY 1 HT1 GLY 1 62.475 -2.894 6.536 2 H2 GLY 1 HT2 GLY 1 63.892 -2.272 7.239 3 H3 GLY 1 HT3 GLY 1 63.575 -2.020 5.588 4 HA2 GLY 1 HA1 GLY 1 62.132 -0.907 7.898 5 HA3 GLY 1 HA2 GLY 1 63.129 -0.031 6.720 6 H LYS 2 HN LYS 2 60.194 0.066 7.571 7 HA LYS 2 HA LYS 2 59.166 0.598 4.904 8 HB2 LYS 2 HB2 LYS 2 57.326 -1.043 4.940 9 HB3 LYS 2 HB1 LYS 2 58.910 -1.859 4.911 10 HG2 LYS 2 HG2 LYS 2 58.751 -1.972 7.469 11 HG3 LYS 2 HG1 LYS 2 57.054 -1.464 7.293 12 HD2 LYS 2 HD2 LYS 2 58.341 -3.952 6.083 13 HD3 LYS 2 HD1 LYS 2 57.163 -3.909 7.414 14 HE2 LYS 2 HE2 LYS 2 55.815 -4.405 5.540 15 HE3 LYS 2 HE1 LYS 2 55.629 -2.642 5.690 16 HZ1 LYS 2 HZ1 LYS 2 56.511 -2.400 3.684 17 HZ2 LYS 2 HZ2 LYS 2 56.599 -4.087 3.513 18 HZ3 LYS 2 HZ3 LYS 2 57.919 -3.226 4.145 19 H GLY 3 HN GLY 3 59.556 1.971 7.437 20 HA2 GLY 3 HA1 GLY 3 57.373 2.311 9.136 21 HA3 GLY 3 HA2 GLY 3 58.267 3.749 8.463 22 H ARG 4 HN ARG 4 58.296 4.027 6.500 23 HA ARG 4 HA ARG 4 56.572 5.603 7.160 24 HB2 ARG 4 HB2 ARG 4 57.622 5.475 4.294 25 HB3 ARG 4 HB1 ARG 4 56.817 6.897 5.004 26 HG2 ARG 4 HG2 ARG 4 58.519 7.000 6.785 27 HG3 ARG 4 HG1 ARG 4 59.310 5.544 6.134 28 HD2 ARG 4 HD2 ARG 4 60.549 7.432 5.298 29 HD3 ARG 4 HD1 ARG 4 59.587 6.811 3.936 30 HE ARG 4 HE ARG 4 58.400 8.853 3.945 31 HH11 ARG 4 HH11 ARG 4 60.939 9.697 5.634 32 HH12 ARG 4 HH12 ARG 4 60.156 10.650 6.848 33 HH21 ARG 4 HH21 ARG 4 56.977 9.500 6.078 34 HH22 ARG 4 HH22 ARG 4 57.912 10.540 7.100 35 H TRP 5 HN TRP 5 55.988 2.818 5.753 36 HA TRP 5 HA TRP 5 54.009 2.868 3.808 37 HB2 TRP 5 HB2 TRP 5 54.759 0.781 4.809 38 HB3 TRP 5 HB1 TRP 5 54.043 1.234 6.374 39 HD1 TRP 5 HD1 TRP 5 52.412 1.449 2.853 40 HE1 TRP 5 HE1 TRP 5 50.207 0.078 2.866 41 HE3 TRP 5 HE3 TRP 5 52.695 -0.495 7.582 42 HZ2 TRP 5 HZ2 TRP 5 48.784 -1.629 4.696 43 HZ3 TRP 5 HZ3 TRP 5 50.902 -1.994 8.440 44 HH2 TRP 5 HH2 TRP 5 48.949 -2.562 7.002 45 H LEU 6 HN LEU 6 53.811 4.105 7.052 46 HA LEU 6 HA LEU 6 50.860 4.545 6.870 47 HB2 LEU 6 HB2 LEU 6 52.928 4.758 9.078 48 HB3 LEU 6 HB1 LEU 6 51.331 5.510 9.256 49 HG LEU 6 HG LEU 6 51.608 3.148 10.224 50 HD11 LEU 6 HD11 LEU 6 49.415 3.250 8.117 51 HD12 LEU 6 HD12 LEU 6 49.382 4.295 9.554 52 HD13 LEU 6 HD13 LEU 6 49.372 2.529 9.738 53 HD21 LEU 6 HD21 LEU 6 51.599 1.257 8.746 54 HD22 LEU 6 HD22 LEU 6 52.922 2.318 8.208 55 HD23 LEU 6 HD23 LEU 6 51.386 2.285 7.311 56 H GLU 7 HN GLU 7 53.999 6.217 6.791 57 HA GLU 7 HA GLU 7 52.652 8.882 6.810 58 HB2 GLU 7 HB2 GLU 7 55.556 7.979 6.697 59 HB3 GLU 7 HB1 GLU 7 55.056 9.683 6.564 60 HG2 GLU 7 HG2 GLU 7 54.213 7.885 8.877 61 HG3 GLU 7 HG1 GLU 7 55.683 8.888 8.918 62 H ARG 8 HN ARG 8 51.821 7.253 4.690 63 HA ARG 8 HA ARG 8 52.851 8.856 2.388 64 HB2 ARG 8 HB2 ARG 8 52.842 5.817 2.535 65 HB3 ARG 8 HB1 ARG 8 52.924 6.724 1.005 66 HG2 ARG 8 HG2 ARG 8 54.962 7.905 1.857 67 HG3 ARG 8 HG1 ARG 8 54.906 6.891 3.318 68 HD2 ARG 8 HD2 ARG 8 56.483 6.004 1.582 69 HD3 ARG 8 HD1 ARG 8 55.175 4.863 1.977 70 HE ARG 8 HE ARG 8 54.297 6.424 -0.225 71 HH11 ARG 8 HH11 ARG 8 55.718 6.323 -2.218 72 HH12 ARG 8 HH12 ARG 8 56.320 4.741 -2.580 73 HH21 ARG 8 HH21 ARG 8 55.522 3.436 0.532 74 HH22 ARG 8 HH22 ARG 8 56.209 3.105 -1.023 75 H ILE 9 HN ILE 9 50.355 8.529 4.125 76 HA ILE 9 HA ILE 9 48.289 7.229 2.727 77 HB ILE 9 HB ILE 9 46.805 9.164 3.660 78 HG12 ILE 9 HG12 ILE 9 49.260 9.844 5.331 79 HG13 ILE 9 HG11 ILE 9 49.035 10.655 3.769 80 HG21 ILE 9 HG21 ILE 9 47.124 6.965 4.767 81 HG22 ILE 9 HG22 ILE 9 47.019 8.277 5.962 82 HG23 ILE 9 HG23 ILE 9 48.599 7.572 5.552 83 HD11 ILE 9 HD1 ILE 9 46.758 11.376 4.488 84 HD12 ILE 9 HD2 ILE 9 48.035 12.002 5.556 85 HD13 ILE 9 HD3 ILE 9 47.039 10.624 6.074 86 H GLY 10 HN GLY 10 47.524 7.392 0.758 87 HA2 GLY 10 HA1 GLY 10 48.338 9.573 -0.991 88 HA3 GLY 10 HA2 GLY 10 47.257 8.225 -1.399 89 H LYS 11 HN LYS 11 45.715 9.006 1.169 90 HA LYS 11 HA LYS 11 43.801 10.735 -0.228 91 HB2 LYS 11 HB2 LYS 11 43.798 9.756 2.653 92 HB3 LYS 11 HB1 LYS 11 42.412 10.400 1.739 93 HG2 LYS 11 HG2 LYS 11 42.609 8.516 0.129 94 HG3 LYS 11 HG1 LYS 11 43.973 7.865 1.070 95 HD2 LYS 11 HD2 LYS 11 42.477 7.706 3.069 96 HD3 LYS 11 HD1 LYS 11 41.116 8.262 2.064 97 HE2 LYS 11 HE2 LYS 11 41.057 5.826 2.170 98 HE3 LYS 11 HE1 LYS 11 41.532 6.313 0.525 99 HZ1 LYS 11 HZ1 LYS 11 43.549 5.415 0.774 100 HZ2 LYS 11 HZ2 LYS 11 42.888 4.576 2.096 101 HZ3 LYS 11 HZ3 LYS 11 43.750 6.019 2.346 102 H ALA 12 HN ALA 12 44.244 12.854 -0.411 103 HA ALA 12 HA ALA 12 45.787 14.239 1.696 104 HB1 ALA 12 HB1 ALA 12 44.371 15.381 -0.736 105 HB2 ALA 12 HB2 ALA 12 46.029 14.736 -0.753 106 HB3 ALA 12 HB3 ALA 12 45.637 16.162 0.238 107 H GLY 13 HN GLY 13 42.841 13.054 1.770 108 HA2 GLY 13 HA1 GLY 13 40.814 13.675 2.710 109 HA3 GLY 13 HA2 GLY 13 41.833 14.560 3.864 110 H PHE 14 HN PHE 14 41.494 15.200 0.388 111 HA PHE 14 HA PHE 14 39.668 17.461 0.831 112 HB2 PHE 14 HB2 PHE 14 41.969 18.319 1.519 113 HB3 PHE 14 HB1 PHE 14 42.479 18.065 -0.166 114 HD1 PHE 14 HD1 PHE 14 41.659 19.491 -1.965 115 HD2 PHE 14 HD2 PHE 14 40.226 19.993 2.076 116 HE1 PHE 14 HE1 PHE 14 40.639 21.675 -2.597 117 HE2 PHE 14 HE2 PHE 14 39.207 22.176 1.444 118 HZ PHE 14 HZ PHE 14 39.437 23.031 -0.886 119 H ILE 15 HN ILE 15 42.302 16.701 -1.499 120 HA ILE 15 HA ILE 15 40.301 16.862 -3.703 121 HB ILE 15 HB ILE 15 42.547 18.098 -3.740 122 HG12 ILE 15 HG12 ILE 15 41.859 16.197 -6.030 123 HG13 ILE 15 HG11 ILE 15 41.168 17.811 -5.748 124 HG21 ILE 15 HG21 ILE 15 43.720 15.802 -2.968 125 HG22 ILE 15 HG22 ILE 15 44.572 16.977 -3.994 126 HG23 ILE 15 HG23 ILE 15 43.827 15.540 -4.724 127 HD11 ILE 15 HD1 ILE 15 44.033 17.104 -6.484 128 HD12 ILE 15 HD2 ILE 15 43.575 18.705 -5.853 129 HD13 ILE 15 HD3 ILE 15 42.885 18.121 -7.386 130 H ILE 16 HN ILE 16 39.904 14.727 -2.041 131 HA ILE 16 HA ILE 16 40.454 12.495 -3.932 132 HB ILE 16 HB ILE 16 42.263 12.521 -2.174 133 HG12 ILE 16 HG12 ILE 16 41.909 10.086 -1.503 134 HG13 ILE 16 HG11 ILE 16 40.288 10.186 -2.219 135 HG21 ILE 16 HG21 ILE 16 40.046 11.733 -0.258 136 HG22 ILE 16 HG22 ILE 16 40.690 13.387 -0.368 137 HG23 ILE 16 HG23 ILE 16 41.754 12.045 0.115 138 HD11 ILE 16 HD1 ILE 16 41.117 10.315 -4.414 139 HD12 ILE 16 HD2 ILE 16 42.347 9.281 -3.658 140 HD13 ILE 16 HD3 ILE 16 42.673 11.011 -3.904 141 H ILE 17 HN ILE 17 38.843 13.611 -0.923 142 HA ILE 17 HA ILE 17 36.676 11.601 -1.335 143 HB ILE 17 HB ILE 17 35.706 12.992 0.744 144 HG12 ILE 17 HG12 ILE 17 37.475 14.000 2.114 145 HG13 ILE 17 HG11 ILE 17 38.693 13.612 0.879 146 HG21 ILE 17 HG21 ILE 17 36.348 10.692 1.000 147 HG22 ILE 17 HG22 ILE 17 37.190 11.598 2.280 148 HG23 ILE 17 HG23 ILE 17 38.072 11.081 0.826 149 HD11 ILE 17 HD1 ILE 17 37.776 15.176 -0.672 150 HD12 ILE 17 HD2 ILE 17 37.757 16.023 0.891 151 HD13 ILE 17 HD3 ILE 17 36.257 15.319 0.244 152 H GLY 18 HN GLY 18 37.451 14.131 -3.010 153 HA2 GLY 18 HA1 GLY 18 34.669 14.816 -3.644 154 HA3 GLY 18 HA2 GLY 18 35.608 16.153 -2.946 155 H GLY 19 HN GLY 19 38.104 15.818 -4.024 156 HA2 GLY 19 HA1 GLY 19 37.705 16.876 -6.669 157 HA3 GLY 19 HA2 GLY 19 39.257 16.438 -5.930 158 H ALA 20 HN ALA 20 37.857 13.663 -5.477 159 HA ALA 20 HA ALA 20 39.045 12.454 -7.845 160 HB1 ALA 20 HB1 ALA 20 37.343 11.309 -5.606 161 HB2 ALA 20 HB2 ALA 20 39.120 11.301 -5.713 162 HB3 ALA 20 HB3 ALA 20 38.153 10.342 -6.860 163 H LEU 21 HN LEU 21 35.827 13.454 -6.859 164 HA LEU 21 HA LEU 21 34.260 11.863 -8.606 165 HB2 LEU 21 HB2 LEU 21 33.942 14.657 -7.464 166 HB3 LEU 21 HB1 LEU 21 32.730 13.997 -8.588 167 HG LEU 21 HG LEU 21 32.337 12.085 -7.109 168 HD11 LEU 21 HD11 LEU 21 34.614 13.313 -5.503 169 HD12 LEU 21 HD12 LEU 21 34.498 11.663 -6.163 170 HD13 LEU 21 HD13 LEU 21 33.468 12.149 -4.798 171 HD21 LEU 21 HD21 LEU 21 31.299 13.266 -5.251 172 HD22 LEU 21 HD22 LEU 21 31.166 14.290 -6.701 173 HD23 LEU 21 HD23 LEU 21 32.393 14.654 -5.463 174 H ASP 22 HN ASP 22 34.419 11.597 -10.721 175 HA ASP 22 HA ASP 22 34.880 12.047 -12.951 176 HB2 ASP 22 HB2 ASP 22 34.006 14.880 -12.273 177 HB3 ASP 22 HB1 ASP 22 33.923 14.065 -13.854 178 H HIS 23 HN HIS 23 36.988 12.542 -10.866 179 HA HIS 23 HA HIS 23 39.132 13.424 -10.764 180 HB2 HIS 23 HB2 HIS 23 39.223 12.144 -12.934 181 HB3 HIS 23 HB1 HIS 23 38.855 13.663 -13.785 182 HD1 HIS 23 HD1 HIS 23 41.084 13.482 -10.709 183 HD2 HIS 23 HD2 HIS 23 41.466 13.923 -14.873 184 HE1 HIS 23 HE1 HIS 23 43.497 14.180 -11.182 185 H LEU 24 HN LEU 24 37.356 15.293 -10.033 186 HA LEU 24 HA LEU 24 37.588 17.718 -11.657 187 HB2 LEU 24 HB2 LEU 24 35.726 16.969 -9.929 188 HB3 LEU 24 HB1 LEU 24 36.803 17.709 -8.725 189 HG LEU 24 HG LEU 24 35.638 19.072 -11.199 190 HD11 LEU 24 HD11 LEU 24 35.163 19.524 -8.219 191 HD12 LEU 24 HD12 LEU 24 34.042 18.691 -9.323 192 HD13 LEU 24 HD13 LEU 24 34.399 20.420 -9.554 193 HD21 LEU 24 HD21 LEU 24 37.774 20.076 -10.876 194 HD22 LEU 24 HD22 LEU 24 37.655 19.970 -9.102 195 HD23 LEU 24 HD23 LEU 24 36.659 21.145 -9.996 Start of MODEL 87 1 H1 GLY 1 HT1 GLY 1 58.029 -0.910 2.421 2 H2 GLY 1 HT2 GLY 1 58.399 -2.446 1.793 3 H3 GLY 1 HT3 GLY 1 57.059 -1.582 1.205 4 HA2 GLY 1 HA1 GLY 1 59.917 -1.023 0.833 5 HA3 GLY 1 HA2 GLY 1 58.693 -1.378 -0.402 6 H LYS 2 HN LYS 2 56.769 0.185 -0.397 7 HA LYS 2 HA LYS 2 57.236 2.868 0.608 8 HB2 LYS 2 HB2 LYS 2 57.466 3.924 -1.682 9 HB3 LYS 2 HB1 LYS 2 58.900 3.027 -1.128 10 HG2 LYS 2 HG2 LYS 2 58.282 1.093 -2.477 11 HG3 LYS 2 HG1 LYS 2 56.737 1.854 -2.930 12 HD2 LYS 2 HD2 LYS 2 58.058 3.740 -3.977 13 HD3 LYS 2 HD1 LYS 2 59.538 2.797 -3.675 14 HE2 LYS 2 HE2 LYS 2 58.661 0.943 -5.038 15 HE3 LYS 2 HE1 LYS 2 57.145 1.835 -5.305 16 HZ1 LYS 2 HZ1 LYS 2 59.792 2.961 -6.037 17 HZ2 LYS 2 HZ2 LYS 2 58.251 3.459 -6.556 18 HZ3 LYS 2 HZ3 LYS 2 58.902 1.989 -7.106 19 H GLY 3 HN GLY 3 55.695 4.458 -0.645 20 HA2 GLY 3 HA1 GLY 3 53.521 4.268 -2.084 21 HA3 GLY 3 HA2 GLY 3 53.015 3.002 -0.872 22 H ARG 4 HN ARG 4 53.607 3.182 1.005 23 HA ARG 4 HA ARG 4 51.337 4.008 1.170 24 HB2 ARG 4 HB2 ARG 4 53.108 3.573 3.620 25 HB3 ARG 4 HB1 ARG 4 51.331 3.684 3.698 26 HG2 ARG 4 HG2 ARG 4 51.074 1.770 2.233 27 HG3 ARG 4 HG1 ARG 4 52.820 1.735 1.886 28 HD2 ARG 4 HD2 ARG 4 52.239 0.006 3.548 29 HD3 ARG 4 HD1 ARG 4 53.277 1.251 4.283 30 HE ARG 4 HE ARG 4 50.636 2.080 4.767 31 HH11 ARG 4 HH11 ARG 4 51.881 -1.065 4.995 32 HH12 ARG 4 HH12 ARG 4 51.425 -1.298 6.650 33 HH21 ARG 4 HH21 ARG 4 50.363 1.974 7.093 34 HH22 ARG 4 HH22 ARG 4 50.566 0.423 7.838 35 H TRP 5 HN TRP 5 53.933 5.862 1.249 36 HA TRP 5 HA TRP 5 53.774 7.970 3.068 37 HB2 TRP 5 HB2 TRP 5 54.213 8.196 0.063 38 HB3 TRP 5 HB1 TRP 5 54.621 9.456 1.253 39 HD1 TRP 5 HD1 TRP 5 55.932 6.338 -0.313 40 HE1 TRP 5 HE1 TRP 5 58.190 5.630 0.768 41 HE3 TRP 5 HE3 TRP 5 55.900 9.465 3.741 42 HZ2 TRP 5 HZ2 TRP 5 59.744 6.348 3.084 43 HZ3 TRP 5 HZ3 TRP 5 57.780 9.436 5.372 44 HH2 TRP 5 HH2 TRP 5 59.701 7.882 5.048 45 H LEU 6 HN LEU 6 51.407 7.039 0.748 46 HA LEU 6 HA LEU 6 49.866 9.590 1.189 47 HB2 LEU 6 HB2 LEU 6 49.407 7.556 -1.020 48 HB3 LEU 6 HB1 LEU 6 48.803 9.226 -0.909 49 HG LEU 6 HG LEU 6 51.729 8.404 -1.214 50 HD11 LEU 6 HD11 LEU 6 50.314 8.059 -3.244 51 HD12 LEU 6 HD12 LEU 6 51.515 9.353 -3.471 52 HD13 LEU 6 HD13 LEU 6 49.811 9.764 -3.158 53 HD21 LEU 6 HD21 LEU 6 51.704 10.462 0.006 54 HD22 LEU 6 HD22 LEU 6 50.324 11.093 -0.923 55 HD23 LEU 6 HD23 LEU 6 51.925 10.949 -1.688 56 H GLU 7 HN GLU 7 49.982 6.107 1.719 57 HA GLU 7 HA GLU 7 47.058 5.932 2.152 58 HB2 GLU 7 HB2 GLU 7 48.723 4.066 1.326 59 HB3 GLU 7 HB1 GLU 7 49.079 3.854 3.053 60 HG2 GLU 7 HG2 GLU 7 46.636 3.532 3.491 61 HG3 GLU 7 HG1 GLU 7 46.328 3.670 1.744 62 H ARG 8 HN ARG 8 48.814 7.844 3.692 63 HA ARG 8 HA ARG 8 49.068 6.872 6.387 64 HB2 ARG 8 HB2 ARG 8 48.824 9.678 5.241 65 HB3 ARG 8 HB1 ARG 8 49.170 9.332 6.953 66 HG2 ARG 8 HG2 ARG 8 51.171 8.019 6.272 67 HG3 ARG 8 HG1 ARG 8 50.837 8.415 4.569 68 HD2 ARG 8 HD2 ARG 8 52.536 9.948 5.510 69 HD3 ARG 8 HD1 ARG 8 51.049 10.831 5.090 70 HE ARG 8 HE ARG 8 50.944 9.984 7.841 71 HH11 ARG 8 HH11 ARG 8 53.100 11.848 5.970 72 HH12 ARG 8 HH12 ARG 8 53.088 13.210 7.040 73 HH21 ARG 8 HH21 ARG 8 50.644 11.893 9.118 74 HH22 ARG 8 HH22 ARG 8 51.700 13.236 8.823 75 H ILE 9 HN ILE 9 47.140 9.760 6.006 76 HA ILE 9 HA ILE 9 45.147 8.709 7.856 77 HB ILE 9 HB ILE 9 44.023 10.908 7.519 78 HG12 ILE 9 HG12 ILE 9 46.230 11.263 5.437 79 HG13 ILE 9 HG11 ILE 9 44.478 11.245 5.139 80 HG21 ILE 9 HG21 ILE 9 46.045 10.539 9.063 81 HG22 ILE 9 HG22 ILE 9 45.735 12.220 8.575 82 HG23 ILE 9 HG23 ILE 9 47.034 11.291 7.788 83 HD11 ILE 9 HD1 ILE 9 46.135 13.363 6.547 84 HD12 ILE 9 HD2 ILE 9 44.374 13.253 6.796 85 HD13 ILE 9 HD3 ILE 9 45.028 13.553 5.168 86 H GLY 10 HN GLY 10 45.334 9.274 4.352 87 HA2 GLY 10 HA1 GLY 10 43.802 8.813 2.669 88 HA3 GLY 10 HA2 GLY 10 43.476 7.344 3.612 89 H LYS 11 HN LYS 11 42.855 10.314 5.228 90 HA LYS 11 HA LYS 11 40.006 9.701 5.366 91 HB2 LYS 11 HB2 LYS 11 41.496 10.765 7.184 92 HB3 LYS 11 HB1 LYS 11 41.355 12.277 6.258 93 HG2 LYS 11 HG2 LYS 11 38.925 12.253 6.489 94 HG3 LYS 11 HG1 LYS 11 38.973 10.647 7.256 95 HD2 LYS 11 HD2 LYS 11 40.350 11.613 9.109 96 HD3 LYS 11 HD1 LYS 11 40.175 13.221 8.364 97 HE2 LYS 11 HE2 LYS 11 37.984 11.447 9.510 98 HE3 LYS 11 HE1 LYS 11 38.466 13.074 10.046 99 HZ1 LYS 11 HZ1 LYS 11 37.823 13.833 7.748 100 HZ2 LYS 11 HZ2 LYS 11 36.537 13.338 8.742 101 HZ3 LYS 11 HZ3 LYS 11 37.110 12.312 7.516 102 H ALA 12 HN ALA 12 41.892 11.149 3.018 103 HA ALA 12 HA ALA 12 41.315 12.283 1.108 104 HB1 ALA 12 HB1 ALA 12 39.119 12.243 0.334 105 HB2 ALA 12 HB2 ALA 12 38.426 12.514 1.952 106 HB3 ALA 12 HB3 ALA 12 39.094 10.922 1.522 107 H GLY 13 HN GLY 13 41.467 13.426 4.084 108 HA2 GLY 13 HA1 GLY 13 41.296 15.534 5.075 109 HA3 GLY 13 HA2 GLY 13 42.020 16.054 3.541 110 H PHE 14 HN PHE 14 38.796 14.782 4.384 111 HA PHE 14 HA PHE 14 36.708 15.774 4.263 112 HB2 PHE 14 HB2 PHE 14 38.029 17.940 4.981 113 HB3 PHE 14 HB1 PHE 14 37.868 18.404 3.271 114 HD1 PHE 14 HD1 PHE 14 35.774 19.171 2.384 115 HD2 PHE 14 HD2 PHE 14 35.942 17.434 6.332 116 HE1 PHE 14 HE1 PHE 14 33.434 19.910 2.809 117 HE2 PHE 14 HE2 PHE 14 33.601 18.173 6.756 118 HZ PHE 14 HZ PHE 14 32.321 19.340 4.964 119 H ILE 15 HN ILE 15 37.579 14.163 2.305 120 HA ILE 15 HA ILE 15 37.175 13.561 0.136 121 HB ILE 15 HB ILE 15 35.296 15.970 0.103 122 HG12 ILE 15 HG12 ILE 15 34.415 13.082 0.465 123 HG13 ILE 15 HG11 ILE 15 35.035 13.970 1.873 124 HG21 ILE 15 HG21 ILE 15 35.773 13.641 -1.784 125 HG22 ILE 15 HG22 ILE 15 35.545 15.368 -2.157 126 HG23 ILE 15 HG23 ILE 15 34.157 14.374 -1.670 127 HD11 ILE 15 HD1 ILE 15 32.877 15.178 0.105 128 HD12 ILE 15 HD2 ILE 15 33.301 15.581 1.784 129 HD13 ILE 15 HD3 ILE 15 32.474 14.049 1.419 130 H ILE 16 HN ILE 16 39.424 14.137 -0.146 131 HA ILE 16 HA ILE 16 39.669 16.323 -2.212 132 HB ILE 16 HB ILE 16 41.736 15.607 -0.103 133 HG12 ILE 16 HG12 ILE 16 39.613 16.897 0.696 134 HG13 ILE 16 HG11 ILE 16 41.198 17.578 1.096 135 HG21 ILE 16 HG21 ILE 16 42.796 16.363 -2.140 136 HG22 ILE 16 HG22 ILE 16 42.825 17.734 -1.009 137 HG23 ILE 16 HG23 ILE 16 41.632 17.689 -2.329 138 HD11 ILE 16 HD1 ILE 16 39.474 19.245 0.231 139 HD12 ILE 16 HD2 ILE 16 39.601 18.451 -1.350 140 HD13 ILE 16 HD3 ILE 16 41.023 19.241 -0.637 141 H ILE 17 HN ILE 17 41.456 13.540 -0.725 142 HA ILE 17 HA ILE 17 42.806 12.957 -3.240 143 HB ILE 17 HB ILE 17 42.423 11.309 -0.692 144 HG12 ILE 17 HG12 ILE 17 44.798 11.735 -0.359 145 HG13 ILE 17 HG11 ILE 17 44.932 12.490 -1.963 146 HG21 ILE 17 HG21 ILE 17 44.228 9.810 -1.762 147 HG22 ILE 17 HG22 ILE 17 43.799 10.588 -3.305 148 HG23 ILE 17 HG23 ILE 17 42.580 9.650 -2.411 149 HD11 ILE 17 HD1 ILE 17 44.751 14.061 0.099 150 HD12 ILE 17 HD2 ILE 17 43.037 13.588 0.143 151 HD13 ILE 17 HD3 ILE 17 43.702 14.401 -1.293 152 H GLY 18 HN GLY 18 40.124 11.444 -1.406 153 HA2 GLY 18 HA1 GLY 18 39.431 9.593 -3.498 154 HA3 GLY 18 HA2 GLY 18 38.402 10.077 -2.131 155 H GLY 19 HN GLY 19 38.121 12.770 -2.469 156 HA2 GLY 19 HA1 GLY 19 36.047 12.970 -4.365 157 HA3 GLY 19 HA2 GLY 19 36.958 14.344 -3.707 158 H ALA 20 HN ALA 20 39.384 14.276 -4.669 159 HA ALA 20 HA ALA 20 39.086 15.106 -7.381 160 HB1 ALA 20 HB1 ALA 20 41.481 15.291 -7.408 161 HB2 ALA 20 HB2 ALA 20 41.641 14.142 -6.058 162 HB3 ALA 20 HB3 ALA 20 40.925 15.749 -5.782 163 H LEU 21 HN LEU 21 41.029 12.307 -6.237 164 HA LEU 21 HA LEU 21 41.428 10.260 -7.229 165 HB2 LEU 21 HB2 LEU 21 38.778 10.386 -7.154 166 HB3 LEU 21 HB1 LEU 21 38.922 10.521 -8.918 167 HG LEU 21 HG LEU 21 40.034 8.278 -7.168 168 HD11 LEU 21 HD11 LEU 21 38.369 6.892 -8.257 169 HD12 LEU 21 HD12 LEU 21 37.912 8.215 -9.357 170 HD13 LEU 21 HD13 LEU 21 37.539 8.331 -7.620 171 HD21 LEU 21 HD21 LEU 21 40.493 7.252 -9.510 172 HD22 LEU 21 HD22 LEU 21 41.597 8.530 -8.956 173 HD23 LEU 21 HD23 LEU 21 40.318 8.910 -10.136 174 H ASP 22 HN ASP 22 43.263 11.093 -8.300 175 HA ASP 22 HA ASP 22 43.180 10.743 -11.170 176 HB2 ASP 22 HB2 ASP 22 42.183 13.047 -10.971 177 HB3 ASP 22 HB1 ASP 22 43.701 13.584 -10.210 178 H HIS 23 HN HIS 23 44.634 9.436 -9.320 179 HA HIS 23 HA HIS 23 46.805 8.872 -8.738 180 HB2 HIS 23 HB2 HIS 23 47.017 8.995 -11.260 181 HB3 HIS 23 HB1 HIS 23 47.635 10.652 -11.061 182 HD1 HIS 23 HD1 HIS 23 48.373 7.197 -9.512 183 HD2 HIS 23 HD2 HIS 23 50.382 10.611 -10.924 184 HE1 HIS 23 HE1 HIS 23 50.877 6.784 -9.217 185 H LEU 24 HN LEU 24 45.516 11.388 -7.712 186 HA LEU 24 HA LEU 24 47.865 12.375 -6.292 187 HB2 LEU 24 HB2 LEU 24 48.207 13.715 -8.265 188 HB3 LEU 24 HB1 LEU 24 46.483 14.137 -8.354 189 HG LEU 24 HG LEU 24 46.632 15.504 -6.359 190 HD11 LEU 24 HD11 LEU 24 48.963 15.757 -5.252 191 HD12 LEU 24 HD12 LEU 24 49.389 14.243 -6.087 192 HD13 LEU 24 HD13 LEU 24 48.061 14.266 -4.901 193 HD21 LEU 24 HD21 LEU 24 47.488 16.452 -8.531 194 HD22 LEU 24 HD22 LEU 24 49.135 16.007 -8.026 195 HD23 LEU 24 HD23 LEU 24 48.210 17.208 -7.092 Start of MODEL 88 1 H1 GLY 1 HT1 GLY 1 54.284 -1.537 -0.901 2 H2 GLY 1 HT2 GLY 1 55.175 -2.503 -1.979 3 H3 GLY 1 HT3 GLY 1 54.908 -0.861 -2.324 4 HA2 GLY 1 HA1 GLY 1 56.510 -1.969 -0.115 5 HA3 GLY 1 HA2 GLY 1 57.128 -1.183 -1.582 6 H LYS 2 HN LYS 2 58.211 0.414 -0.400 7 HA LYS 2 HA LYS 2 57.023 2.027 1.618 8 HB2 LYS 2 HB2 LYS 2 59.455 1.966 1.096 9 HB3 LYS 2 HB1 LYS 2 59.132 2.831 -0.427 10 HG2 LYS 2 HG2 LYS 2 58.344 4.782 0.741 11 HG3 LYS 2 HG1 LYS 2 58.302 3.915 2.295 12 HD2 LYS 2 HD2 LYS 2 60.759 3.662 2.236 13 HD3 LYS 2 HD1 LYS 2 60.815 4.499 0.666 14 HE2 LYS 2 HE2 LYS 2 59.938 6.544 1.663 15 HE3 LYS 2 HE1 LYS 2 59.688 5.722 3.222 16 HZ1 LYS 2 HZ1 LYS 2 61.854 7.118 2.707 17 HZ2 LYS 2 HZ2 LYS 2 62.374 5.639 2.052 18 HZ3 LYS 2 HZ3 LYS 2 61.899 5.730 3.681 19 H GLY 3 HN GLY 3 56.288 4.229 1.537 20 HA2 GLY 3 HA1 GLY 3 55.628 5.928 -0.495 21 HA3 GLY 3 HA2 GLY 3 54.356 4.638 -0.718 22 H ARG 4 HN ARG 4 53.808 3.596 0.895 23 HA ARG 4 HA ARG 4 51.941 5.127 0.667 24 HB2 ARG 4 HB2 ARG 4 52.031 2.803 2.640 25 HB3 ARG 4 HB1 ARG 4 50.512 3.649 2.249 26 HG2 ARG 4 HG2 ARG 4 50.873 3.173 -0.164 27 HG3 ARG 4 HG1 ARG 4 52.379 2.314 0.235 28 HD2 ARG 4 HD2 ARG 4 51.039 0.759 1.694 29 HD3 ARG 4 HD1 ARG 4 49.559 1.563 1.117 30 HE ARG 4 HE ARG 4 51.230 0.623 -1.077 31 HH11 ARG 4 HH11 ARG 4 50.346 -1.434 1.238 32 HH12 ARG 4 HH12 ARG 4 49.080 -2.242 0.375 33 HH21 ARG 4 HH21 ARG 4 48.965 0.098 -2.180 34 HH22 ARG 4 HH22 ARG 4 48.298 -1.375 -1.559 35 H TRP 5 HN TRP 5 54.223 5.403 2.874 36 HA TRP 5 HA TRP 5 53.321 6.174 5.387 37 HB2 TRP 5 HB2 TRP 5 55.693 6.283 4.602 38 HB3 TRP 5 HB1 TRP 5 55.303 7.786 3.732 39 HD1 TRP 5 HD1 TRP 5 54.861 9.961 5.155 40 HE1 TRP 5 HE1 TRP 5 55.355 10.614 7.623 41 HE3 TRP 5 HE3 TRP 5 55.826 5.302 7.046 42 HZ2 TRP 5 HZ2 TRP 5 56.073 9.270 10.066 43 HZ3 TRP 5 HZ3 TRP 5 56.413 5.011 9.449 44 HH2 TRP 5 HH2 TRP 5 56.537 6.989 10.959 45 H LEU 6 HN LEU 6 52.484 7.621 2.372 46 HA LEU 6 HA LEU 6 51.173 9.933 3.796 47 HB2 LEU 6 HB2 LEU 6 52.064 9.772 0.885 48 HB3 LEU 6 HB1 LEU 6 51.327 11.167 1.703 49 HG LEU 6 HG LEU 6 53.428 10.757 3.406 50 HD11 LEU 6 HD11 LEU 6 54.193 8.810 1.901 51 HD12 LEU 6 HD12 LEU 6 55.416 10.043 2.279 52 HD13 LEU 6 HD13 LEU 6 54.613 10.041 0.691 53 HD21 LEU 6 HD21 LEU 6 54.663 12.502 2.106 54 HD22 LEU 6 HD22 LEU 6 52.935 12.886 2.283 55 HD23 LEU 6 HD23 LEU 6 53.551 12.245 0.741 56 H GLU 7 HN GLU 7 50.729 7.026 1.894 57 HA GLU 7 HA GLU 7 48.119 7.894 0.823 58 HB2 GLU 7 HB2 GLU 7 49.821 6.157 -0.175 59 HB3 GLU 7 HB1 GLU 7 49.087 5.020 0.974 60 HG2 GLU 7 HG2 GLU 7 47.847 4.768 -1.058 61 HG3 GLU 7 HG1 GLU 7 46.810 5.737 0.013 62 H ARG 8 HN ARG 8 49.263 6.996 3.834 63 HA ARG 8 HA ARG 8 47.326 5.185 4.823 64 HB2 ARG 8 HB2 ARG 8 49.412 6.044 5.997 65 HB3 ARG 8 HB1 ARG 8 48.496 7.522 6.376 66 HG2 ARG 8 HG2 ARG 8 46.794 6.196 7.560 67 HG3 ARG 8 HG1 ARG 8 47.645 4.691 7.133 68 HD2 ARG 8 HD2 ARG 8 49.574 5.319 8.452 69 HD3 ARG 8 HD1 ARG 8 48.925 6.955 8.720 70 HE ARG 8 HE ARG 8 47.064 4.987 9.703 71 HH11 ARG 8 HH11 ARG 8 50.114 4.516 10.544 72 HH12 ARG 8 HH12 ARG 8 50.035 5.152 12.154 73 HH21 ARG 8 HH21 ARG 8 46.947 6.658 11.691 74 HH22 ARG 8 HH22 ARG 8 48.243 6.364 12.802 75 H ILE 9 HN ILE 9 47.012 8.502 3.853 76 HA ILE 9 HA ILE 9 44.704 9.145 5.488 77 HB ILE 9 HB ILE 9 45.509 10.305 2.785 78 HG12 ILE 9 HG12 ILE 9 47.398 10.476 4.310 79 HG13 ILE 9 HG11 ILE 9 46.652 12.080 4.156 80 HG21 ILE 9 HG21 ILE 9 44.328 12.379 4.017 81 HG22 ILE 9 HG22 ILE 9 43.490 11.083 4.903 82 HG23 ILE 9 HG23 ILE 9 43.373 11.169 3.135 83 HD11 ILE 9 HD1 ILE 9 47.000 11.875 6.483 84 HD12 ILE 9 HD2 ILE 9 46.562 10.152 6.499 85 HD13 ILE 9 HD3 ILE 9 45.300 11.390 6.307 86 H GLY 10 HN GLY 10 43.631 7.002 5.141 87 HA2 GLY 10 HA1 GLY 10 42.397 6.545 2.525 88 HA3 GLY 10 HA2 GLY 10 42.099 5.640 4.023 89 H LYS 11 HN LYS 11 41.777 8.626 5.115 90 HA LYS 11 HA LYS 11 38.863 8.515 5.043 91 HB2 LYS 11 HB2 LYS 11 40.558 10.847 5.996 92 HB3 LYS 11 HB1 LYS 11 38.934 10.362 6.541 93 HG2 LYS 11 HG2 LYS 11 41.526 8.807 6.964 94 HG3 LYS 11 HG1 LYS 11 40.607 9.690 8.207 95 HD2 LYS 11 HD2 LYS 11 38.607 8.162 7.548 96 HD3 LYS 11 HD1 LYS 11 39.818 7.159 6.713 97 HE2 LYS 11 HE2 LYS 11 41.120 7.080 8.892 98 HE3 LYS 11 HE1 LYS 11 39.726 7.862 9.675 99 HZ1 LYS 11 HZ1 LYS 11 38.553 5.978 9.616 100 HZ2 LYS 11 HZ2 LYS 11 40.035 5.195 9.338 101 HZ3 LYS 11 HZ3 LYS 11 39.025 5.596 8.032 102 H ALA 12 HN ALA 12 40.851 9.232 2.621 103 HA ALA 12 HA ALA 12 40.494 10.355 0.638 104 HB1 ALA 12 HB1 ALA 12 38.340 10.974 0.031 105 HB2 ALA 12 HB2 ALA 12 37.960 11.654 1.632 106 HB3 ALA 12 HB3 ALA 12 37.990 9.892 1.396 107 H GLY 13 HN GLY 13 40.675 11.804 3.704 108 HA2 GLY 13 HA1 GLY 13 41.193 13.970 4.405 109 HA3 GLY 13 HA2 GLY 13 42.393 13.845 3.104 110 H PHE 14 HN PHE 14 38.834 14.259 3.245 111 HA PHE 14 HA PHE 14 37.496 15.958 2.414 112 HB2 PHE 14 HB2 PHE 14 39.891 17.582 1.508 113 HB3 PHE 14 HB1 PHE 14 38.312 18.136 2.105 114 HD1 PHE 14 HD1 PHE 14 41.638 18.080 3.022 115 HD2 PHE 14 HD2 PHE 14 37.783 16.903 4.573 116 HE1 PHE 14 HE1 PHE 14 42.525 18.229 5.343 117 HE2 PHE 14 HE2 PHE 14 38.674 17.053 6.894 118 HZ PHE 14 HZ PHE 14 41.058 17.669 7.277 119 H ILE 15 HN ILE 15 38.047 13.723 0.929 120 HA ILE 15 HA ILE 15 37.869 12.907 -1.206 121 HB ILE 15 HB ILE 15 37.158 15.756 -2.015 122 HG12 ILE 15 HG12 ILE 15 35.330 13.464 -1.150 123 HG13 ILE 15 HG11 ILE 15 35.792 14.819 -0.098 124 HG21 ILE 15 HG21 ILE 15 35.878 14.530 -3.812 125 HG22 ILE 15 HG22 ILE 15 36.651 13.025 -3.265 126 HG23 ILE 15 HG23 ILE 15 37.640 14.349 -3.929 127 HD11 ILE 15 HD1 ILE 15 34.878 16.291 -2.152 128 HD12 ILE 15 HD2 ILE 15 33.762 15.621 -0.941 129 HD13 ILE 15 HD3 ILE 15 33.963 14.806 -2.507 130 H ILE 16 HN ILE 16 40.107 12.507 -1.085 131 HA ILE 16 HA ILE 16 41.581 14.013 -3.228 132 HB ILE 16 HB ILE 16 42.839 13.040 -0.639 133 HG12 ILE 16 HG12 ILE 16 41.233 15.036 -0.344 134 HG13 ILE 16 HG11 ILE 16 42.893 15.255 0.224 135 HG21 ILE 16 HG21 ILE 16 43.838 14.688 -3.005 136 HG22 ILE 16 HG22 ILE 16 44.417 13.095 -2.478 137 HG23 ILE 16 HG23 ILE 16 44.737 14.531 -1.478 138 HD11 ILE 16 HD1 ILE 16 43.474 16.599 -1.679 139 HD12 ILE 16 HD2 ILE 16 41.907 17.205 -1.100 140 HD13 ILE 16 HD3 ILE 16 41.978 16.166 -2.537 141 H ILE 17 HN ILE 17 41.959 11.220 -0.957 142 HA ILE 17 HA ILE 17 43.258 9.622 -3.027 143 HB ILE 17 HB ILE 17 42.089 8.892 -0.296 144 HG12 ILE 17 HG12 ILE 17 44.472 8.564 0.294 145 HG13 ILE 17 HG11 ILE 17 44.950 9.014 -1.359 146 HG21 ILE 17 HG21 ILE 17 43.388 6.695 -0.692 147 HG22 ILE 17 HG22 ILE 17 43.407 7.146 -2.414 148 HG23 ILE 17 HG23 ILE 17 41.858 6.880 -1.580 149 HD11 ILE 17 HD1 ILE 17 45.019 10.845 0.526 150 HD12 ILE 17 HD2 ILE 17 43.254 10.905 0.305 151 HD13 ILE 17 HD3 ILE 17 44.339 11.266 -1.056 152 H GLY 18 HN GLY 18 40.047 9.659 -1.446 153 HA2 GLY 18 HA1 GLY 18 38.913 7.557 -3.008 154 HA3 GLY 18 HA2 GLY 18 38.012 8.826 -2.154 155 H GLY 19 HN GLY 19 38.538 11.130 -3.320 156 HA2 GLY 19 HA1 GLY 19 37.137 10.925 -5.825 157 HA3 GLY 19 HA2 GLY 19 37.910 12.378 -5.168 158 H ALA 20 HN ALA 20 40.559 11.699 -5.036 159 HA ALA 20 HA ALA 20 42.419 11.776 -6.431 160 HB1 ALA 20 HB1 ALA 20 42.682 9.856 -7.930 161 HB2 ALA 20 HB2 ALA 20 40.940 9.506 -7.807 162 HB3 ALA 20 HB3 ALA 20 41.986 9.345 -6.374 163 H LEU 21 HN LEU 21 40.309 13.596 -7.101 164 HA LEU 21 HA LEU 21 39.849 13.563 -9.964 165 HB2 LEU 21 HB2 LEU 21 39.788 16.005 -8.157 166 HB3 LEU 21 HB1 LEU 21 38.875 15.724 -9.657 167 HG LEU 21 HG LEU 21 38.544 14.140 -7.067 168 HD11 LEU 21 HD11 LEU 21 36.742 16.217 -8.391 169 HD12 LEU 21 HD12 LEU 21 37.727 16.488 -6.933 170 HD13 LEU 21 HD13 LEU 21 36.387 15.317 -6.897 171 HD21 LEU 21 HD21 LEU 21 37.960 12.691 -8.880 172 HD22 LEU 21 HD22 LEU 21 37.216 14.015 -9.808 173 HD23 LEU 21 HD23 LEU 21 36.414 13.388 -8.347 174 H ASP 22 HN ASP 22 41.459 13.672 -11.385 175 HA ASP 22 HA ASP 22 43.388 14.409 -12.437 176 HB2 ASP 22 HB2 ASP 22 41.997 16.532 -12.401 177 HB3 ASP 22 HB1 ASP 22 42.917 17.022 -10.958 178 H HIS 23 HN HIS 23 43.619 13.114 -9.815 179 HA HIS 23 HA HIS 23 45.214 12.751 -8.164 180 HB2 HIS 23 HB2 HIS 23 47.125 14.048 -10.143 181 HB3 HIS 23 HB1 HIS 23 47.512 12.850 -8.885 182 HD1 HIS 23 HD1 HIS 23 47.954 12.455 -12.046 183 HD2 HIS 23 HD2 HIS 23 44.714 10.981 -9.809 184 HE1 HIS 23 HE1 HIS 23 47.021 10.435 -13.300 185 H LEU 24 HN LEU 24 43.750 14.972 -7.600 186 HA LEU 24 HA LEU 24 45.626 16.476 -5.958 187 HB2 LEU 24 HB2 LEU 24 45.687 17.485 -8.400 188 HB3 LEU 24 HB1 LEU 24 44.120 18.195 -7.956 189 HG LEU 24 HG LEU 24 46.754 18.547 -6.447 190 HD11 LEU 24 HD11 LEU 24 45.062 20.510 -8.060 191 HD12 LEU 24 HD12 LEU 24 46.589 19.777 -8.608 192 HD13 LEU 24 HD13 LEU 24 46.583 20.883 -7.213 193 HD21 LEU 24 HD21 LEU 24 45.059 18.651 -4.782 194 HD22 LEU 24 HD22 LEU 24 43.897 19.436 -5.879 195 HD23 LEU 24 HD23 LEU 24 45.288 20.350 -5.249 Start of MODEL 89 1 H1 GLY 1 HT1 GLY 1 59.561 4.815 -0.087 2 H2 GLY 1 HT2 GLY 1 60.577 4.181 -1.293 3 H3 GLY 1 HT3 GLY 1 61.220 5.159 -0.061 4 HA2 GLY 1 HA1 GLY 1 61.001 2.423 -0.123 5 HA3 GLY 1 HA2 GLY 1 61.571 3.453 1.206 6 H LYS 2 HN LYS 2 60.677 2.656 2.999 7 HA LYS 2 HA LYS 2 57.975 1.535 2.995 8 HB2 LYS 2 HB2 LYS 2 59.905 2.213 5.250 9 HB3 LYS 2 HB1 LYS 2 58.363 1.348 5.459 10 HG2 LYS 2 HG2 LYS 2 59.149 -0.395 3.852 11 HG3 LYS 2 HG1 LYS 2 60.712 0.449 3.731 12 HD2 LYS 2 HD2 LYS 2 60.987 0.195 6.216 13 HD3 LYS 2 HD1 LYS 2 59.493 -0.772 6.246 14 HE2 LYS 2 HE2 LYS 2 60.509 -2.388 4.661 15 HE3 LYS 2 HE1 LYS 2 62.006 -1.428 4.647 16 HZ1 LYS 2 HZ1 LYS 2 61.586 -1.772 7.280 17 HZ2 LYS 2 HZ2 LYS 2 62.580 -2.770 6.329 18 HZ3 LYS 2 HZ3 LYS 2 60.981 -3.233 6.667 19 H GLY 3 HN GLY 3 58.103 4.258 2.059 20 HA2 GLY 3 HA1 GLY 3 57.484 6.329 3.831 21 HA3 GLY 3 HA2 GLY 3 56.552 6.093 2.281 22 H ARG 4 HN ARG 4 55.552 4.380 2.034 23 HA ARG 4 HA ARG 4 53.757 5.890 2.650 24 HB2 ARG 4 HB2 ARG 4 53.200 3.014 1.767 25 HB3 ARG 4 HB1 ARG 4 52.007 4.334 1.685 26 HG2 ARG 4 HG2 ARG 4 53.471 5.628 0.214 27 HG3 ARG 4 HG1 ARG 4 54.761 4.411 0.372 28 HD2 ARG 4 HD2 ARG 4 53.232 2.706 -0.636 29 HD3 ARG 4 HD1 ARG 4 52.009 3.977 -0.871 30 HE ARG 4 HE ARG 4 54.417 4.875 -2.085 31 HH11 ARG 4 HH11 ARG 4 52.190 2.254 -2.319 32 HH12 ARG 4 HH12 ARG 4 52.323 2.120 -4.041 33 HH21 ARG 4 HH21 ARG 4 54.545 4.763 -4.343 34 HH22 ARG 4 HH22 ARG 4 53.655 3.541 -5.187 35 H TRP 5 HN TRP 5 54.998 3.707 4.602 36 HA TRP 5 HA TRP 5 53.160 2.361 6.187 37 HB2 TRP 5 HB2 TRP 5 55.611 2.465 6.628 38 HB3 TRP 5 HB1 TRP 5 55.397 4.099 7.301 39 HD1 TRP 5 HD1 TRP 5 53.735 0.626 7.840 40 HE1 TRP 5 HE1 TRP 5 53.347 0.269 10.386 41 HE3 TRP 5 HE3 TRP 5 55.576 5.078 9.569 42 HZ2 TRP 5 HZ2 TRP 5 53.790 1.740 12.821 43 HZ3 TRP 5 HZ3 TRP 5 55.584 5.580 12.007 44 HH2 TRP 5 HH2 TRP 5 54.694 3.917 13.633 45 H LEU 6 HN LEU 6 53.340 5.777 5.710 46 HA LEU 6 HA LEU 6 51.322 6.244 7.905 47 HB2 LEU 6 HB2 LEU 6 53.139 8.290 6.574 48 HB3 LEU 6 HB1 LEU 6 52.097 8.530 7.995 49 HG LEU 6 HG LEU 6 54.448 6.585 7.864 50 HD11 LEU 6 HD11 LEU 6 55.101 9.003 7.760 51 HD12 LEU 6 HD12 LEU 6 55.633 8.207 9.261 52 HD13 LEU 6 HD13 LEU 6 54.211 9.278 9.276 53 HD21 LEU 6 HD21 LEU 6 54.077 6.756 10.450 54 HD22 LEU 6 HD22 LEU 6 52.948 5.754 9.514 55 HD23 LEU 6 HD23 LEU 6 52.464 7.387 10.032 56 H GLU 7 HN GLU 7 51.999 6.314 4.463 57 HA GLU 7 HA GLU 7 49.649 8.071 3.924 58 HB2 GLU 7 HB2 GLU 7 51.543 6.640 2.015 59 HB3 GLU 7 HB1 GLU 7 50.337 7.874 1.584 60 HG2 GLU 7 HG2 GLU 7 52.636 8.332 3.534 61 HG3 GLU 7 HG1 GLU 7 52.676 8.790 1.815 62 H ARG 8 HN ARG 8 49.704 5.194 5.107 63 HA ARG 8 HA ARG 8 48.586 3.389 3.227 64 HB2 ARG 8 HB2 ARG 8 49.363 2.818 5.537 65 HB3 ARG 8 HB1 ARG 8 47.911 3.619 6.185 66 HG2 ARG 8 HG2 ARG 8 46.457 2.061 4.995 67 HG3 ARG 8 HG1 ARG 8 47.860 1.315 4.188 68 HD2 ARG 8 HD2 ARG 8 47.333 1.343 7.193 69 HD3 ARG 8 HD1 ARG 8 47.135 -0.057 6.112 70 HE ARG 8 HE ARG 8 49.760 0.680 5.690 71 HH11 ARG 8 HH11 ARG 8 49.348 1.773 8.569 72 HH12 ARG 8 HH12 ARG 8 49.994 0.457 9.489 73 HH21 ARG 8 HH21 ARG 8 49.948 -1.772 6.833 74 HH22 ARG 8 HH22 ARG 8 50.335 -1.550 8.506 75 H ILE 9 HN ILE 9 46.940 5.649 5.486 76 HA ILE 9 HA ILE 9 44.286 5.003 4.812 77 HB ILE 9 HB ILE 9 45.006 6.594 6.635 78 HG12 ILE 9 HG12 ILE 9 42.938 7.662 4.656 79 HG13 ILE 9 HG11 ILE 9 42.643 6.406 5.882 80 HG21 ILE 9 HG21 ILE 9 46.561 7.886 5.024 81 HG22 ILE 9 HG22 ILE 9 45.580 8.858 6.145 82 HG23 ILE 9 HG23 ILE 9 45.090 8.701 4.441 83 HD11 ILE 9 HD1 ILE 9 41.871 8.417 6.892 84 HD12 ILE 9 HD2 ILE 9 43.270 9.348 6.307 85 HD13 ILE 9 HD3 ILE 9 43.477 8.152 7.610 86 H GLY 10 HN GLY 10 46.517 7.305 3.220 87 HA2 GLY 10 HA1 GLY 10 46.520 7.986 0.991 88 HA3 GLY 10 HA2 GLY 10 45.128 6.931 0.677 89 H LYS 11 HN LYS 11 43.195 7.848 2.343 90 HA LYS 11 HA LYS 11 42.320 10.227 0.979 91 HB2 LYS 11 HB2 LYS 11 41.284 8.974 3.554 92 HB3 LYS 11 HB1 LYS 11 40.422 10.158 2.539 93 HG2 LYS 11 HG2 LYS 11 40.365 8.597 0.669 94 HG3 LYS 11 HG1 LYS 11 41.386 7.437 1.556 95 HD2 LYS 11 HD2 LYS 11 39.624 7.204 3.284 96 HD3 LYS 11 HD1 LYS 11 38.602 8.360 2.397 97 HE2 LYS 11 HE2 LYS 11 38.537 6.859 0.453 98 HE3 LYS 11 HE1 LYS 11 39.633 5.721 1.270 99 HZ1 LYS 11 HZ1 LYS 11 37.507 4.881 1.659 100 HZ2 LYS 11 HZ2 LYS 11 36.835 6.412 1.962 101 HZ3 LYS 11 HZ3 LYS 11 37.877 5.698 3.098 102 H ALA 12 HN ALA 12 43.577 12.010 1.220 103 HA ALA 12 HA ALA 12 44.717 12.760 3.787 104 HB1 ALA 12 HB1 ALA 12 45.471 14.735 2.657 105 HB2 ALA 12 HB2 ALA 12 44.259 14.535 1.368 106 HB3 ALA 12 HB3 ALA 12 45.613 13.388 1.503 107 H GLY 13 HN GLY 13 41.606 12.550 2.958 108 HA2 GLY 13 HA1 GLY 13 39.661 13.697 3.525 109 HA3 GLY 13 HA2 GLY 13 40.512 13.961 5.059 110 H PHE 14 HN PHE 14 41.045 15.250 1.753 111 HA PHE 14 HA PHE 14 40.115 17.915 2.533 112 HB2 PHE 14 HB2 PHE 14 42.331 17.861 3.643 113 HB3 PHE 14 HB1 PHE 14 43.093 17.479 2.080 114 HD1 PHE 14 HD1 PHE 14 41.260 20.069 4.020 115 HD2 PHE 14 HD2 PHE 14 43.335 19.166 0.346 116 HE1 PHE 14 HE1 PHE 14 41.323 22.495 3.459 117 HE2 PHE 14 HE2 PHE 14 43.398 21.593 -0.216 118 HZ PHE 14 HZ PHE 14 42.467 23.263 1.383 119 H ILE 15 HN ILE 15 41.761 15.735 0.284 120 HA ILE 15 HA ILE 15 40.286 16.856 -1.937 121 HB ILE 15 HB ILE 15 42.093 18.596 -1.633 122 HG12 ILE 15 HG12 ILE 15 42.215 17.008 -4.240 123 HG13 ILE 15 HG11 ILE 15 40.936 18.164 -3.803 124 HG21 ILE 15 HG21 ILE 15 44.353 18.117 -1.725 125 HG22 ILE 15 HG22 ILE 15 44.148 16.784 -2.880 126 HG23 ILE 15 HG23 ILE 15 43.821 16.522 -1.152 127 HD11 ILE 15 HD1 ILE 15 42.759 19.912 -3.498 128 HD12 ILE 15 HD2 ILE 15 42.527 19.355 -5.172 129 HD13 ILE 15 HD3 ILE 15 43.897 18.745 -4.212 130 H ILE 16 HN ILE 16 40.005 14.450 -1.290 131 HA ILE 16 HA ILE 16 41.488 12.887 -3.349 132 HB ILE 16 HB ILE 16 41.334 12.219 -0.384 133 HG12 ILE 16 HG12 ILE 16 43.306 13.511 -1.116 134 HG13 ILE 16 HG11 ILE 16 43.765 11.880 -0.590 135 HG21 ILE 16 HG21 ILE 16 40.764 10.097 -1.131 136 HG22 ILE 16 HG22 ILE 16 42.521 9.976 -1.371 137 HG23 ILE 16 HG23 ILE 16 41.458 10.351 -2.748 138 HD11 ILE 16 HD1 ILE 16 45.003 12.032 -2.564 139 HD12 ILE 16 HD2 ILE 16 43.818 13.082 -3.363 140 HD13 ILE 16 HD3 ILE 16 43.508 11.342 -3.223 141 H ILE 17 HN ILE 17 39.166 12.458 -0.634 142 HA ILE 17 HA ILE 17 37.529 10.639 -2.178 143 HB ILE 17 HB ILE 17 35.984 10.649 -0.358 144 HG12 ILE 17 HG12 ILE 17 35.566 12.991 0.011 145 HG13 ILE 17 HG11 ILE 17 36.188 12.349 1.539 146 HG21 ILE 17 HG21 ILE 17 37.922 9.454 0.281 147 HG22 ILE 17 HG22 ILE 17 37.585 10.501 1.676 148 HG23 ILE 17 HG23 ILE 17 38.875 10.930 0.533 149 HD11 ILE 17 HD1 ILE 17 38.491 13.192 0.848 150 HD12 ILE 17 HD2 ILE 17 37.284 14.458 1.140 151 HD13 ILE 17 HD3 ILE 17 37.701 14.004 -0.524 152 H GLY 18 HN GLY 18 38.122 13.770 -2.718 153 HA2 GLY 18 HA1 GLY 18 35.407 14.220 -3.924 154 HA3 GLY 18 HA2 GLY 18 36.200 15.494 -2.972 155 H GLY 19 HN GLY 19 38.739 15.566 -3.698 156 HA2 GLY 19 HA1 GLY 19 38.594 16.630 -6.403 157 HA3 GLY 19 HA2 GLY 19 40.031 16.551 -5.363 158 H ALA 20 HN ALA 20 40.551 14.033 -4.887 159 HA ALA 20 HA ALA 20 41.467 12.116 -5.792 160 HB1 ALA 20 HB1 ALA 20 39.482 12.376 -8.066 161 HB2 ALA 20 HB2 ALA 20 39.016 11.817 -6.441 162 HB3 ALA 20 HB3 ALA 20 40.208 10.898 -7.391 163 H LEU 21 HN LEU 21 41.639 15.086 -7.272 164 HA LEU 21 HA LEU 21 42.990 15.960 -8.948 165 HB2 LEU 21 HB2 LEU 21 44.594 13.566 -7.985 166 HB3 LEU 21 HB1 LEU 21 45.223 14.670 -9.230 167 HG LEU 21 HG LEU 21 44.980 16.580 -7.697 168 HD11 LEU 21 HD11 LEU 21 43.753 14.466 -5.885 169 HD12 LEU 21 HD12 LEU 21 43.103 16.063 -6.337 170 HD13 LEU 21 HD13 LEU 21 44.477 15.948 -5.216 171 HD21 LEU 21 HD21 LEU 21 46.387 14.215 -6.375 172 HD22 LEU 21 HD22 LEU 21 46.731 15.937 -6.083 173 HD23 LEU 21 HD23 LEU 21 47.071 15.218 -7.676 174 H ASP 22 HN ASP 22 41.058 13.504 -9.474 175 HA ASP 22 HA ASP 22 42.148 12.209 -11.815 176 HB2 ASP 22 HB2 ASP 22 40.265 11.316 -10.423 177 HB3 ASP 22 HB1 ASP 22 39.228 12.617 -11.057 178 H HIS 23 HN HIS 23 39.642 14.764 -11.445 179 HA HIS 23 HA HIS 23 40.657 16.226 -13.739 180 HB2 HIS 23 HB2 HIS 23 39.542 14.314 -14.900 181 HB3 HIS 23 HB1 HIS 23 38.013 14.765 -14.109 182 HD1 HIS 23 HD1 HIS 23 40.516 17.326 -15.380 183 HD2 HIS 23 HD2 HIS 23 36.756 15.758 -16.432 184 HE1 HIS 23 HE1 HIS 23 39.590 18.773 -17.273 185 H LEU 24 HN LEU 24 38.497 15.654 -11.120 186 HA LEU 24 HA LEU 24 36.893 18.084 -11.524 187 HB2 LEU 24 HB2 LEU 24 37.186 16.505 -8.946 188 HB3 LEU 24 HB1 LEU 24 35.806 17.485 -9.495 189 HG LEU 24 HG LEU 24 36.782 14.875 -10.735 190 HD11 LEU 24 HD11 LEU 24 34.696 13.952 -9.907 191 HD12 LEU 24 HD12 LEU 24 34.148 15.554 -9.358 192 HD13 LEU 24 HD13 LEU 24 35.514 14.753 -8.545 193 HD21 LEU 24 HD21 LEU 24 34.573 15.179 -12.066 194 HD22 LEU 24 HD22 LEU 24 35.953 16.188 -12.551 195 HD23 LEU 24 HD23 LEU 24 34.646 16.885 -11.563 Start of MODEL 90 1 H1 GLY 1 HT1 GLY 1 60.988 5.734 -1.510 2 H2 GLY 1 HT2 GLY 1 60.401 4.201 -1.070 3 H3 GLY 1 HT3 GLY 1 62.055 4.423 -1.392 4 HA2 GLY 1 HA1 GLY 1 62.289 4.601 0.764 5 HA3 GLY 1 HA2 GLY 1 61.650 6.235 0.504 6 H LYS 2 HN LYS 2 61.009 3.002 1.667 7 HA LYS 2 HA LYS 2 58.190 3.283 2.117 8 HB2 LYS 2 HB2 LYS 2 60.164 1.669 3.777 9 HB3 LYS 2 HB1 LYS 2 58.419 1.377 3.587 10 HG2 LYS 2 HG2 LYS 2 58.804 1.056 1.116 11 HG3 LYS 2 HG1 LYS 2 60.554 1.177 1.420 12 HD2 LYS 2 HD2 LYS 2 60.386 -0.741 3.009 13 HD3 LYS 2 HD1 LYS 2 58.656 -0.888 2.619 14 HE2 LYS 2 HE2 LYS 2 60.042 -2.479 1.293 15 HE3 LYS 2 HE1 LYS 2 59.202 -1.305 0.252 16 HZ1 LYS 2 HZ1 LYS 2 61.137 -0.524 -0.467 17 HZ2 LYS 2 HZ2 LYS 2 61.910 -1.809 0.332 18 HZ3 LYS 2 HZ3 LYS 2 61.730 -0.307 1.108 19 H GLY 3 HN GLY 3 58.460 2.483 5.046 20 HA2 GLY 3 HA1 GLY 3 57.813 3.717 7.025 21 HA3 GLY 3 HA2 GLY 3 59.448 4.511 6.718 22 H ARG 4 HN ARG 4 56.507 3.774 5.934 23 HA ARG 4 HA ARG 4 55.458 5.233 7.248 24 HB2 ARG 4 HB2 ARG 4 56.000 7.066 4.951 25 HB3 ARG 4 HB1 ARG 4 54.331 7.163 5.546 26 HG2 ARG 4 HG2 ARG 4 56.117 7.276 7.865 27 HG3 ARG 4 HG1 ARG 4 56.684 8.450 6.665 28 HD2 ARG 4 HD2 ARG 4 53.769 8.286 7.527 29 HD3 ARG 4 HD1 ARG 4 54.967 9.314 8.344 30 HE ARG 4 HE ARG 4 55.014 9.778 5.493 31 HH11 ARG 4 HH11 ARG 4 54.777 11.544 8.145 32 HH12 ARG 4 HH12 ARG 4 53.396 12.491 7.701 33 HH21 ARG 4 HH21 ARG 4 52.553 10.478 5.007 34 HH22 ARG 4 HH22 ARG 4 52.137 11.887 5.924 35 H TRP 5 HN TRP 5 55.610 3.562 4.540 36 HA TRP 5 HA TRP 5 53.247 3.505 3.123 37 HB2 TRP 5 HB2 TRP 5 55.107 1.918 2.764 38 HB3 TRP 5 HB1 TRP 5 54.665 1.061 4.260 39 HD1 TRP 5 HD1 TRP 5 53.075 2.028 0.862 40 HE1 TRP 5 HE1 TRP 5 51.370 0.188 0.174 41 HE3 TRP 5 HE3 TRP 5 53.365 -0.937 5.025 42 HZ2 TRP 5 HZ2 TRP 5 50.300 -2.234 1.305 43 HZ3 TRP 5 HZ3 TRP 5 51.994 -3.008 5.200 44 HH2 TRP 5 HH2 TRP 5 50.462 -3.659 3.345 45 H LEU 6 HN LEU 6 53.629 2.965 6.504 46 HA LEU 6 HA LEU 6 50.805 1.953 6.729 47 HB2 LEU 6 HB2 LEU 6 52.441 0.370 7.619 48 HB3 LEU 6 HB1 LEU 6 53.199 1.649 8.591 49 HG LEU 6 HG LEU 6 51.166 1.884 9.946 50 HD11 LEU 6 HD11 LEU 6 50.031 -0.062 7.901 51 HD12 LEU 6 HD12 LEU 6 49.339 1.470 8.488 52 HD13 LEU 6 HD13 LEU 6 49.342 0.040 9.540 53 HD21 LEU 6 HD21 LEU 6 52.826 0.151 10.567 54 HD22 LEU 6 HD22 LEU 6 51.959 -1.036 9.562 55 HD23 LEU 6 HD23 LEU 6 51.176 -0.352 11.006 56 H GLU 7 HN GLU 7 53.009 4.615 7.361 57 HA GLU 7 HA GLU 7 51.048 5.774 9.347 58 HB2 GLU 7 HB2 GLU 7 53.984 6.300 8.765 59 HB3 GLU 7 HB1 GLU 7 52.988 7.404 9.744 60 HG2 GLU 7 HG2 GLU 7 52.537 5.679 11.372 61 HG3 GLU 7 HG1 GLU 7 53.244 4.424 10.326 62 H ARG 8 HN ARG 8 51.145 5.606 6.213 63 HA ARG 8 HA ARG 8 51.546 8.183 5.140 64 HB2 ARG 8 HB2 ARG 8 49.962 7.507 3.377 65 HB3 ARG 8 HB1 ARG 8 51.062 6.169 3.786 66 HG2 ARG 8 HG2 ARG 8 49.272 5.317 5.382 67 HG3 ARG 8 HG1 ARG 8 48.175 6.535 4.685 68 HD2 ARG 8 HD2 ARG 8 49.517 4.203 3.265 69 HD3 ARG 8 HD1 ARG 8 47.774 4.504 3.467 70 HE ARG 8 HE ARG 8 48.869 6.726 2.075 71 HH11 ARG 8 HH11 ARG 8 49.990 6.165 -0.040 72 HH12 ARG 8 HH12 ARG 8 49.143 4.992 -0.994 73 HH21 ARG 8 HH21 ARG 8 47.070 3.988 1.596 74 HH22 ARG 8 HH22 ARG 8 47.491 3.761 -0.069 75 H ILE 9 HN ILE 9 49.897 9.753 4.402 76 HA ILE 9 HA ILE 9 48.273 10.586 6.685 77 HB ILE 9 HB ILE 9 47.624 12.493 5.228 78 HG12 ILE 9 HG12 ILE 9 49.174 10.899 3.134 79 HG13 ILE 9 HG11 ILE 9 47.461 11.372 3.073 80 HG21 ILE 9 HG21 ILE 9 49.863 12.341 6.487 81 HG22 ILE 9 HG22 ILE 9 49.800 13.502 5.140 82 HG23 ILE 9 HG23 ILE 9 50.602 11.929 4.920 83 HD11 ILE 9 HD1 ILE 9 48.327 13.819 3.220 84 HD12 ILE 9 HD2 ILE 9 48.550 12.956 1.679 85 HD13 ILE 9 HD3 ILE 9 49.917 13.136 2.804 86 H GLY 10 HN GLY 10 47.705 9.134 3.493 87 HA2 GLY 10 HA1 GLY 10 45.828 8.078 2.652 88 HA3 GLY 10 HA2 GLY 10 45.209 7.992 4.312 89 H LYS 11 HN LYS 11 45.799 11.169 3.953 90 HA LYS 11 HA LYS 11 42.950 11.733 3.349 91 HB2 LYS 11 HB2 LYS 11 45.264 13.509 4.223 92 HB3 LYS 11 HB1 LYS 11 43.592 14.067 4.001 93 HG2 LYS 11 HG2 LYS 11 44.171 11.695 5.818 94 HG3 LYS 11 HG1 LYS 11 44.421 13.349 6.415 95 HD2 LYS 11 HD2 LYS 11 42.045 13.891 5.759 96 HD3 LYS 11 HD1 LYS 11 41.816 12.176 5.341 97 HE2 LYS 11 HE2 LYS 11 42.329 11.502 7.632 98 HE3 LYS 11 HE1 LYS 11 42.707 13.184 8.074 99 HZ1 LYS 11 HZ1 LYS 11 40.272 13.493 7.074 100 HZ2 LYS 11 HZ2 LYS 11 40.555 13.147 8.712 101 HZ3 LYS 11 HZ3 LYS 11 40.121 11.902 7.641 102 H ALA 12 HN ALA 12 42.462 11.720 1.235 103 HA ALA 12 HA ALA 12 44.369 12.685 -0.777 104 HB1 ALA 12 HB1 ALA 12 42.681 10.833 -1.125 105 HB2 ALA 12 HB2 ALA 12 42.674 12.105 -2.371 106 HB3 ALA 12 HB3 ALA 12 41.415 12.083 -1.114 107 H GLY 13 HN GLY 13 44.032 14.690 1.068 108 HA2 GLY 13 HA1 GLY 13 43.663 16.977 1.085 109 HA3 GLY 13 HA2 GLY 13 43.177 16.865 -0.619 110 H PHE 14 HN PHE 14 41.986 15.995 2.658 111 HA PHE 14 HA PHE 14 39.841 16.102 3.538 112 HB2 PHE 14 HB2 PHE 14 40.290 18.550 3.033 113 HB3 PHE 14 HB1 PHE 14 39.391 18.329 1.513 114 HD1 PHE 14 HD1 PHE 14 39.113 17.942 5.239 115 HD2 PHE 14 HD2 PHE 14 37.005 18.406 1.501 116 HE1 PHE 14 HE1 PHE 14 36.973 18.236 6.482 117 HE2 PHE 14 HE2 PHE 14 34.865 18.699 2.744 118 HZ PHE 14 HZ PHE 14 34.856 18.651 5.235 119 H ILE 15 HN ILE 15 40.429 14.434 1.124 120 HA ILE 15 HA ILE 15 39.258 13.060 -0.294 121 HB ILE 15 HB ILE 15 36.683 13.994 1.046 122 HG12 ILE 15 HG12 ILE 15 38.737 11.944 2.002 123 HG13 ILE 15 HG11 ILE 15 38.281 13.452 2.827 124 HG21 ILE 15 HG21 ILE 15 37.471 11.240 0.008 125 HG22 ILE 15 HG22 ILE 15 36.697 12.466 -1.023 126 HG23 ILE 15 HG23 ILE 15 35.844 11.841 0.405 127 HD11 ILE 15 HD1 ILE 15 37.024 11.782 3.954 128 HD12 ILE 15 HD2 ILE 15 36.630 10.933 2.440 129 HD13 ILE 15 HD3 ILE 15 35.857 12.493 2.813 130 H ILE 16 HN ILE 16 40.064 14.979 -1.588 131 HA ILE 16 HA ILE 16 37.755 16.043 -3.200 132 HB ILE 16 HB ILE 16 40.377 17.415 -2.487 133 HG12 ILE 16 HG12 ILE 16 38.458 17.293 -0.713 134 HG13 ILE 16 HG11 ILE 16 39.184 18.872 -1.061 135 HG21 ILE 16 HG21 ILE 16 39.780 18.038 -4.735 136 HG22 ILE 16 HG22 ILE 16 39.281 19.388 -3.692 137 HG23 ILE 16 HG23 ILE 16 38.068 18.235 -4.298 138 HD11 ILE 16 HD1 ILE 16 37.307 19.543 -2.414 139 HD12 ILE 16 HD2 ILE 16 36.635 18.839 -0.928 140 HD13 ILE 16 HD3 ILE 16 36.638 17.897 -2.433 141 H ILE 17 HN ILE 17 41.258 15.298 -3.047 142 HA ILE 17 HA ILE 17 41.534 15.193 -5.944 143 HB ILE 17 HB ILE 17 43.278 14.212 -3.636 144 HG12 ILE 17 HG12 ILE 17 44.760 16.023 -4.372 145 HG13 ILE 17 HG11 ILE 17 43.703 16.366 -5.759 146 HG21 ILE 17 HG21 ILE 17 43.673 13.914 -6.642 147 HG22 ILE 17 HG22 ILE 17 43.767 12.649 -5.393 148 HG23 ILE 17 HG23 ILE 17 45.037 13.891 -5.498 149 HD11 ILE 17 HD1 ILE 17 41.983 17.249 -4.388 150 HD12 ILE 17 HD2 ILE 17 43.471 17.866 -3.635 151 HD13 ILE 17 HD3 ILE 17 42.626 16.474 -2.919 152 H GLY 18 HN GLY 18 41.195 12.815 -3.301 153 HA2 GLY 18 HA1 GLY 18 41.029 10.559 -5.163 154 HA3 GLY 18 HA2 GLY 18 40.768 10.523 -3.405 155 H GLY 19 HN GLY 19 38.823 12.580 -3.236 156 HA2 GLY 19 HA1 GLY 19 36.450 11.073 -3.697 157 HA3 GLY 19 HA2 GLY 19 36.523 12.810 -3.344 158 H ALA 20 HN ALA 20 37.729 13.943 -5.443 159 HA ALA 20 HA ALA 20 35.661 13.948 -7.428 160 HB1 ALA 20 HB1 ALA 20 38.526 14.952 -7.574 161 HB2 ALA 20 HB2 ALA 20 37.110 15.878 -7.022 162 HB3 ALA 20 HB3 ALA 20 37.230 15.363 -8.721 163 H LEU 21 HN LEU 21 39.070 12.818 -7.662 164 HA LEU 21 HA LEU 21 40.031 11.288 -9.108 165 HB2 LEU 21 HB2 LEU 21 38.301 9.907 -7.682 166 HB3 LEU 21 HB1 LEU 21 37.373 9.827 -9.193 167 HG LEU 21 HG LEU 21 39.706 9.044 -10.240 168 HD11 LEU 21 HD11 LEU 21 41.001 7.664 -8.598 169 HD12 LEU 21 HD12 LEU 21 40.014 8.339 -7.283 170 HD13 LEU 21 HD13 LEU 21 41.081 9.400 -8.231 171 HD21 LEU 21 HD21 LEU 21 39.120 6.668 -9.653 172 HD22 LEU 21 HD22 LEU 21 37.720 7.624 -10.196 173 HD23 LEU 21 HD23 LEU 21 37.952 7.289 -8.462 174 H ASP 22 HN ASP 22 38.013 13.500 -10.103 175 HA ASP 22 HA ASP 22 37.004 12.525 -12.619 176 HB2 ASP 22 HB2 ASP 22 37.705 15.350 -11.719 177 HB3 ASP 22 HB1 ASP 22 36.763 14.939 -13.172 178 H HIS 23 HN HIS 23 38.877 15.347 -13.122 179 HA HIS 23 HA HIS 23 40.391 14.080 -15.235 180 HB2 HIS 23 HB2 HIS 23 40.909 16.765 -13.898 181 HB3 HIS 23 HB1 HIS 23 41.433 16.252 -15.519 182 HD1 HIS 23 HD1 HIS 23 38.818 18.116 -13.874 183 HD2 HIS 23 HD2 HIS 23 39.009 15.576 -17.219 184 HE1 HIS 23 HE1 HIS 23 36.713 18.524 -15.261 185 H LEU 24 HN LEU 24 40.982 14.796 -11.839 186 HA LEU 24 HA LEU 24 42.839 14.426 -10.496 187 HB2 LEU 24 HB2 LEU 24 42.028 12.075 -11.393 188 HB3 LEU 24 HB1 LEU 24 43.561 12.090 -12.291 189 HG LEU 24 HG LEU 24 43.247 12.413 -9.268 190 HD11 LEU 24 HD11 LEU 24 42.830 10.112 -10.170 191 HD12 LEU 24 HD12 LEU 24 44.288 10.198 -9.152 192 HD13 LEU 24 HD13 LEU 24 44.441 10.146 -10.926 193 HD21 LEU 24 HD21 LEU 24 45.644 12.534 -11.144 194 HD22 LEU 24 HD22 LEU 24 45.833 12.057 -9.438 195 HD23 LEU 24 HD23 LEU 24 45.186 13.662 -9.846 Start of MODEL 91 1 H1 GLY 1 HT1 GLY 1 59.841 11.378 -0.221 2 H2 GLY 1 HT2 GLY 1 59.819 10.594 -1.728 3 H3 GLY 1 HT3 GLY 1 59.932 9.688 -0.294 4 HA2 GLY 1 HA1 GLY 1 57.718 11.041 0.174 5 HA3 GLY 1 HA2 GLY 1 57.654 10.868 -1.590 6 H LYS 2 HN LYS 2 55.802 9.522 -1.353 7 HA LYS 2 HA LYS 2 54.722 7.483 -1.085 8 HB2 LYS 2 HB2 LYS 2 57.518 6.388 -1.578 9 HB3 LYS 2 HB1 LYS 2 55.984 5.516 -1.814 10 HG2 LYS 2 HG2 LYS 2 55.330 7.414 -3.434 11 HG3 LYS 2 HG1 LYS 2 57.034 7.918 -3.362 12 HD2 LYS 2 HD2 LYS 2 55.980 5.195 -4.250 13 HD3 LYS 2 HD1 LYS 2 56.699 6.445 -5.293 14 HE2 LYS 2 HE2 LYS 2 58.052 4.733 -3.183 15 HE3 LYS 2 HE1 LYS 2 58.484 4.932 -4.897 16 HZ1 LYS 2 HZ1 LYS 2 60.003 6.299 -3.913 17 HZ2 LYS 2 HZ2 LYS 2 58.985 6.725 -2.623 18 HZ3 LYS 2 HZ3 LYS 2 58.751 7.417 -4.157 19 H GLY 3 HN GLY 3 55.099 5.123 -0.009 20 HA2 GLY 3 HA1 GLY 3 56.064 4.023 2.029 21 HA3 GLY 3 HA2 GLY 3 56.109 5.650 2.850 22 H ARG 4 HN ARG 4 54.631 6.928 2.533 23 HA ARG 4 HA ARG 4 53.996 6.026 4.693 24 HB2 ARG 4 HB2 ARG 4 52.426 8.342 3.460 25 HB3 ARG 4 HB1 ARG 4 52.562 8.002 5.204 26 HG2 ARG 4 HG2 ARG 4 55.045 8.174 5.024 27 HG3 ARG 4 HG1 ARG 4 54.877 8.582 3.299 28 HD2 ARG 4 HD2 ARG 4 53.811 10.175 5.670 29 HD3 ARG 4 HD1 ARG 4 55.116 10.653 4.558 30 HE ARG 4 HE ARG 4 52.674 10.128 3.099 31 HH11 ARG 4 HH11 ARG 4 54.202 12.381 2.229 32 HH12 ARG 4 HH12 ARG 4 53.388 13.754 2.905 33 HH21 ARG 4 HH21 ARG 4 51.637 11.895 5.251 34 HH22 ARG 4 HH22 ARG 4 51.936 13.478 4.615 35 H TRP 5 HN TRP 5 52.581 5.248 1.965 36 HA TRP 5 HA TRP 5 49.813 5.016 2.078 37 HB2 TRP 5 HB2 TRP 5 51.877 2.932 1.311 38 HB3 TRP 5 HB1 TRP 5 50.138 2.705 1.019 39 HD1 TRP 5 HD1 TRP 5 51.196 6.284 0.634 40 HE1 TRP 5 HE1 TRP 5 51.321 6.941 -1.872 41 HE3 TRP 5 HE3 TRP 5 50.840 1.616 -1.450 42 HZ2 TRP 5 HZ2 TRP 5 51.271 5.605 -4.419 43 HZ3 TRP 5 HZ3 TRP 5 50.881 1.335 -3.924 44 HH2 TRP 5 HH2 TRP 5 51.097 3.324 -5.408 45 H LEU 6 HN LEU 6 52.155 3.527 4.182 46 HA LEU 6 HA LEU 6 50.114 1.731 5.426 47 HB2 LEU 6 HB2 LEU 6 53.035 2.019 6.204 48 HB3 LEU 6 HB1 LEU 6 51.939 0.647 6.491 49 HG LEU 6 HG LEU 6 52.977 1.594 3.782 50 HD11 LEU 6 HD11 LEU 6 54.130 -0.599 3.779 51 HD12 LEU 6 HD12 LEU 6 53.482 -0.944 5.401 52 HD13 LEU 6 HD13 LEU 6 54.640 0.389 5.170 53 HD21 LEU 6 HD21 LEU 6 50.772 0.750 3.394 54 HD22 LEU 6 HD22 LEU 6 50.966 -0.545 4.600 55 HD23 LEU 6 HD23 LEU 6 51.847 -0.624 3.055 56 H GLU 7 HN GLU 7 51.921 4.740 5.973 57 HA GLU 7 HA GLU 7 51.747 4.929 8.779 58 HB2 GLU 7 HB2 GLU 7 52.776 6.592 7.119 59 HB3 GLU 7 HB1 GLU 7 51.133 7.241 6.903 60 HG2 GLU 7 HG2 GLU 7 50.983 7.649 9.353 61 HG3 GLU 7 HG1 GLU 7 52.644 7.036 9.546 62 H ARG 8 HN ARG 8 49.214 4.936 6.404 63 HA ARG 8 HA ARG 8 46.916 5.085 6.606 64 HB2 ARG 8 HB2 ARG 8 47.421 3.373 8.429 65 HB3 ARG 8 HB1 ARG 8 47.313 4.711 9.597 66 HG2 ARG 8 HG2 ARG 8 45.015 5.226 8.729 67 HG3 ARG 8 HG1 ARG 8 45.127 3.796 7.675 68 HD2 ARG 8 HD2 ARG 8 45.566 2.409 9.754 69 HD3 ARG 8 HD1 ARG 8 45.188 3.856 10.720 70 HE ARG 8 HE ARG 8 43.250 2.145 9.426 71 HH11 ARG 8 HH11 ARG 8 42.183 3.430 11.668 72 HH12 ARG 8 HH12 ARG 8 41.347 4.824 11.070 73 HH21 ARG 8 HH21 ARG 8 42.961 4.805 8.001 74 HH22 ARG 8 HH22 ARG 8 41.787 5.601 8.995 75 H ILE 9 HN ILE 9 47.646 7.443 6.121 76 HA ILE 9 HA ILE 9 47.204 9.341 8.323 77 HB ILE 9 HB ILE 9 47.377 11.070 6.520 78 HG12 ILE 9 HG12 ILE 9 47.673 8.614 4.727 79 HG13 ILE 9 HG11 ILE 9 46.340 9.789 4.686 80 HG21 ILE 9 HG21 ILE 9 49.578 8.988 6.213 81 HG22 ILE 9 HG22 ILE 9 49.389 9.969 7.686 82 HG23 ILE 9 HG23 ILE 9 49.722 10.760 6.129 83 HD11 ILE 9 HD1 ILE 9 47.774 10.495 2.935 84 HD12 ILE 9 HD2 ILE 9 49.242 10.189 3.891 85 HD13 ILE 9 HD3 ILE 9 48.195 11.576 4.284 86 H GLY 10 HN GLY 10 45.372 7.918 5.661 87 HA2 GLY 10 HA1 GLY 10 43.159 8.181 5.027 88 HA3 GLY 10 HA2 GLY 10 42.851 8.317 6.769 89 H LYS 11 HN LYS 11 44.956 10.704 5.489 90 HA LYS 11 HA LYS 11 42.994 12.795 6.068 91 HB2 LYS 11 HB2 LYS 11 45.497 12.950 6.478 92 HB3 LYS 11 HB1 LYS 11 45.701 13.093 4.716 93 HG2 LYS 11 HG2 LYS 11 44.174 15.068 4.721 94 HG3 LYS 11 HG1 LYS 11 44.053 14.946 6.493 95 HD2 LYS 11 HD2 LYS 11 46.536 15.211 6.651 96 HD3 LYS 11 HD1 LYS 11 46.598 15.433 4.885 97 HE2 LYS 11 HE2 LYS 11 46.571 17.630 5.951 98 HE3 LYS 11 HE1 LYS 11 45.013 17.373 5.127 99 HZ1 LYS 11 HZ1 LYS 11 45.590 17.644 7.944 100 HZ2 LYS 11 HZ2 LYS 11 44.573 16.332 7.582 101 HZ3 LYS 11 HZ3 LYS 11 44.142 17.903 7.102 102 H ALA 12 HN ALA 12 44.628 11.543 3.123 103 HA ALA 12 HA ALA 12 44.106 11.809 0.900 104 HB1 ALA 12 HB1 ALA 12 41.832 11.569 0.304 105 HB2 ALA 12 HB2 ALA 12 41.265 12.402 1.772 106 HB3 ALA 12 HB3 ALA 12 41.964 10.769 1.886 107 H GLY 13 HN GLY 13 44.373 14.242 2.942 108 HA2 GLY 13 HA1 GLY 13 44.220 16.568 2.810 109 HA3 GLY 13 HA2 GLY 13 44.831 16.287 1.167 110 H PHE 14 HN PHE 14 41.707 15.733 2.824 111 HA PHE 14 HA PHE 14 39.592 16.537 2.347 112 HB2 PHE 14 HB2 PHE 14 40.931 18.748 1.863 113 HB3 PHE 14 HB1 PHE 14 40.663 18.347 0.152 114 HD1 PHE 14 HD1 PHE 14 38.544 18.746 -0.879 115 HD2 PHE 14 HD2 PHE 14 38.901 18.894 3.420 116 HE1 PHE 14 HE1 PHE 14 36.226 19.648 -0.717 117 HE2 PHE 14 HE2 PHE 14 36.584 19.795 3.581 118 HZ PHE 14 HZ PHE 14 35.272 20.233 1.509 119 H ILE 15 HN ILE 15 40.375 14.178 1.335 120 HA ILE 15 HA ILE 15 39.793 12.610 -0.244 121 HB ILE 15 HB ILE 15 37.980 14.711 -1.490 122 HG12 ILE 15 HG12 ILE 15 37.348 12.739 0.759 123 HG13 ILE 15 HG11 ILE 15 37.646 14.473 1.010 124 HG21 ILE 15 HG21 ILE 15 36.678 12.719 -2.177 125 HG22 ILE 15 HG22 ILE 15 37.878 11.666 -1.392 126 HG23 ILE 15 HG23 ILE 15 38.338 12.648 -2.802 127 HD11 ILE 15 HD1 ILE 15 35.731 14.779 -0.808 128 HD12 ILE 15 HD2 ILE 15 35.301 14.413 0.878 129 HD13 ILE 15 HD3 ILE 15 35.294 13.117 -0.337 130 H ILE 16 HN ILE 16 42.027 12.882 -0.935 131 HA ILE 16 HA ILE 16 42.101 13.810 -3.804 132 HB ILE 16 HB ILE 16 44.322 14.114 -1.746 133 HG12 ILE 16 HG12 ILE 16 42.283 15.722 -1.565 134 HG13 ILE 16 HG11 ILE 16 43.898 16.444 -1.656 135 HG21 ILE 16 HG21 ILE 16 45.264 13.730 -3.918 136 HG22 ILE 16 HG22 ILE 16 45.362 15.482 -3.636 137 HG23 ILE 16 HG23 ILE 16 44.096 14.818 -4.698 138 HD11 ILE 16 HD1 ILE 16 42.129 17.541 -3.126 139 HD12 ILE 16 HD2 ILE 16 42.118 16.062 -4.106 140 HD13 ILE 16 HD3 ILE 16 43.602 17.032 -3.978 141 H ILE 17 HN ILE 17 44.268 12.189 -1.429 142 HA ILE 17 HA ILE 17 45.037 10.210 -3.475 143 HB ILE 17 HB ILE 17 45.636 10.303 -0.483 144 HG12 ILE 17 HG12 ILE 17 46.539 12.285 -1.579 145 HG13 ILE 17 HG11 ILE 17 47.876 11.177 -1.212 146 HG21 ILE 17 HG21 ILE 17 47.672 8.844 -1.465 147 HG22 ILE 17 HG22 ILE 17 46.480 8.459 -2.730 148 HG23 ILE 17 HG23 ILE 17 46.122 8.090 -1.031 149 HD11 ILE 17 HD1 ILE 17 47.507 10.306 -3.668 150 HD12 ILE 17 HD2 ILE 17 48.336 11.855 -3.428 151 HD13 ILE 17 HD3 ILE 17 46.626 11.829 -3.901 152 H GLY 18 HN GLY 18 42.863 10.496 -0.734 153 HA2 GLY 18 HA1 GLY 18 42.281 7.671 -0.524 154 HA3 GLY 18 HA2 GLY 18 41.306 9.007 0.129 155 H GLY 19 HN GLY 19 40.565 10.460 -2.002 156 HA2 GLY 19 HA1 GLY 19 38.620 8.673 -3.285 157 HA3 GLY 19 HA2 GLY 19 38.746 10.431 -3.470 158 H ALA 20 HN ALA 20 41.328 10.791 -4.379 159 HA ALA 20 HA ALA 20 42.386 10.873 -6.451 160 HB1 ALA 20 HB1 ALA 20 41.943 7.871 -6.350 161 HB2 ALA 20 HB2 ALA 20 43.231 8.738 -5.478 162 HB3 ALA 20 HB3 ALA 20 43.204 8.738 -7.259 163 H LEU 21 HN LEU 21 39.672 11.476 -6.657 164 HA LEU 21 HA LEU 21 38.441 9.906 -8.790 165 HB2 LEU 21 HB2 LEU 21 37.739 12.746 -7.966 166 HB3 LEU 21 HB1 LEU 21 36.686 11.530 -8.725 167 HG LEU 21 HG LEU 21 37.918 11.297 -5.940 168 HD11 LEU 21 HD11 LEU 21 35.038 11.836 -6.787 169 HD12 LEU 21 HD12 LEU 21 36.160 13.071 -6.168 170 HD13 LEU 21 HD13 LEU 21 35.651 11.724 -5.121 171 HD21 LEU 21 HD21 LEU 21 36.116 9.428 -5.818 172 HD22 LEU 21 HD22 LEU 21 37.574 9.081 -6.771 173 HD23 LEU 21 HD23 LEU 21 36.062 9.533 -7.594 174 H ASP 22 HN ASP 22 39.090 9.894 -10.824 175 HA ASP 22 HA ASP 22 40.112 10.597 -12.793 176 HB2 ASP 22 HB2 ASP 22 38.724 13.209 -12.076 177 HB3 ASP 22 HB1 ASP 22 39.247 12.697 -13.700 178 H HIS 23 HN HIS 23 41.758 10.835 -10.435 179 HA HIS 23 HA HIS 23 43.735 11.840 -9.750 180 HB2 HIS 23 HB2 HIS 23 43.781 12.563 -12.705 181 HB3 HIS 23 HB1 HIS 23 45.162 12.770 -11.603 182 HD1 HIS 23 HD1 HIS 23 44.059 10.486 -14.045 183 HD2 HIS 23 HD2 HIS 23 45.346 9.979 -10.074 184 HE1 HIS 23 HE1 HIS 23 44.841 8.067 -13.802 185 H LEU 24 HN LEU 24 41.933 13.305 -8.701 186 HA LEU 24 HA LEU 24 42.988 16.003 -8.832 187 HB2 LEU 24 HB2 LEU 24 41.625 16.238 -10.805 188 HB3 LEU 24 HB1 LEU 24 40.244 15.440 -10.025 189 HG LEU 24 HG LEU 24 39.906 17.314 -8.526 190 HD11 LEU 24 HD11 LEU 24 42.587 18.258 -9.616 191 HD12 LEU 24 HD12 LEU 24 42.113 17.991 -7.921 192 HD13 LEU 24 HD13 LEU 24 41.452 19.375 -8.820 193 HD21 LEU 24 HD21 LEU 24 39.120 17.492 -10.935 194 HD22 LEU 24 HD22 LEU 24 40.568 18.473 -11.266 195 HD23 LEU 24 HD23 LEU 24 39.344 19.054 -10.111 Start of MODEL 92 1 H1 GLY 1 HT1 GLY 1 60.532 2.414 -0.820 2 H2 GLY 1 HT2 GLY 1 61.191 0.999 -0.149 3 H3 GLY 1 HT3 GLY 1 62.159 2.382 -0.347 4 HA2 GLY 1 HA1 GLY 1 61.379 1.914 1.946 5 HA3 GLY 1 HA2 GLY 1 61.092 3.545 1.309 6 H LYS 2 HN LYS 2 58.976 4.088 0.504 7 HA LYS 2 HA LYS 2 56.669 4.157 0.769 8 HB2 LYS 2 HB2 LYS 2 56.776 1.128 1.006 9 HB3 LYS 2 HB1 LYS 2 55.443 2.137 0.396 10 HG2 LYS 2 HG2 LYS 2 56.973 2.908 -1.463 11 HG3 LYS 2 HG1 LYS 2 58.166 1.710 -0.903 12 HD2 LYS 2 HD2 LYS 2 56.403 -0.074 -1.170 13 HD3 LYS 2 HD1 LYS 2 55.339 1.153 -1.899 14 HE2 LYS 2 HE2 LYS 2 56.986 1.560 -3.679 15 HE3 LYS 2 HE1 LYS 2 58.110 0.399 -2.932 16 HZ1 LYS 2 HZ1 LYS 2 55.556 -0.102 -4.322 17 HZ2 LYS 2 HZ2 LYS 2 56.091 -1.196 -3.136 18 HZ3 LYS 2 HZ3 LYS 2 57.052 -0.883 -4.503 19 H GLY 3 HN GLY 3 55.369 1.745 2.311 20 HA2 GLY 3 HA1 GLY 3 54.306 1.840 4.489 21 HA3 GLY 3 HA2 GLY 3 56.072 1.675 5.020 22 H ARG 4 HN ARG 4 53.693 3.096 3.630 23 HA ARG 4 HA ARG 4 52.609 3.924 5.301 24 HB2 ARG 4 HB2 ARG 4 54.711 6.028 5.240 25 HB3 ARG 4 HB1 ARG 4 53.065 6.683 5.401 26 HG2 ARG 4 HG2 ARG 4 52.737 5.815 7.538 27 HG3 ARG 4 HG1 ARG 4 53.752 4.394 7.262 28 HD2 ARG 4 HD2 ARG 4 55.783 5.765 7.471 29 HD3 ARG 4 HD1 ARG 4 54.798 7.239 7.614 30 HE ARG 4 HE ARG 4 53.980 5.400 9.644 31 HH11 ARG 4 HH11 ARG 4 57.037 5.182 9.648 32 HH12 ARG 4 HH12 ARG 4 57.448 6.383 10.827 33 HH21 ARG 4 HH21 ARG 4 54.329 7.897 10.760 34 HH22 ARG 4 HH22 ARG 4 55.914 7.919 11.457 35 H TRP 5 HN TRP 5 53.662 4.284 2.326 36 HA TRP 5 HA TRP 5 52.422 6.350 0.961 37 HB2 TRP 5 HB2 TRP 5 53.712 4.511 -0.119 38 HB3 TRP 5 HB1 TRP 5 52.326 3.425 0.154 39 HD1 TRP 5 HD1 TRP 5 52.542 7.043 -1.272 40 HE1 TRP 5 HE1 TRP 5 51.221 7.142 -3.506 41 HE3 TRP 5 HE3 TRP 5 51.118 2.134 -1.593 42 HZ2 TRP 5 HZ2 TRP 5 49.757 5.321 -5.184 43 HZ3 TRP 5 HZ3 TRP 5 49.759 1.339 -3.521 44 HH2 TRP 5 HH2 TRP 5 49.079 2.926 -5.316 45 H LEU 6 HN LEU 6 50.952 3.772 2.739 46 HA LEU 6 HA LEU 6 48.242 4.243 1.605 47 HB2 LEU 6 HB2 LEU 6 49.427 2.298 3.620 48 HB3 LEU 6 HB1 LEU 6 47.667 2.478 3.425 49 HG LEU 6 HG LEU 6 47.831 1.893 1.050 50 HD11 LEU 6 HD11 LEU 6 50.817 1.932 1.632 51 HD12 LEU 6 HD12 LEU 6 49.922 2.783 0.349 52 HD13 LEU 6 HD13 LEU 6 50.147 1.022 0.258 53 HD21 LEU 6 HD21 LEU 6 47.705 0.095 2.825 54 HD22 LEU 6 HD22 LEU 6 49.474 -0.067 2.712 55 HD23 LEU 6 HD23 LEU 6 48.454 -0.446 1.304 56 H GLU 7 HN GLU 7 50.269 5.044 4.415 57 HA GLU 7 HA GLU 7 47.969 5.957 6.020 58 HB2 GLU 7 HB2 GLU 7 50.206 5.129 6.926 59 HB3 GLU 7 HB1 GLU 7 50.901 6.670 6.370 60 HG2 GLU 7 HG2 GLU 7 49.335 7.929 7.777 61 HG3 GLU 7 HG1 GLU 7 48.531 6.421 8.276 62 H ARG 8 HN ARG 8 49.995 7.233 3.507 63 HA ARG 8 HA ARG 8 49.750 10.024 4.183 64 HB2 ARG 8 HB2 ARG 8 51.394 8.874 2.547 65 HB3 ARG 8 HB1 ARG 8 50.064 8.919 1.374 66 HG2 ARG 8 HG2 ARG 8 51.027 10.974 0.859 67 HG3 ARG 8 HG1 ARG 8 49.958 11.518 2.168 68 HD2 ARG 8 HD2 ARG 8 52.879 10.691 2.539 69 HD3 ARG 8 HD1 ARG 8 52.311 12.369 2.384 70 HE ARG 8 HE ARG 8 50.790 11.500 4.470 71 HH11 ARG 8 HH11 ARG 8 52.293 13.082 5.898 72 HH12 ARG 8 HH12 ARG 8 53.602 12.191 6.602 73 HH21 ARG 8 HH21 ARG 8 53.277 9.498 4.441 74 HH22 ARG 8 HH22 ARG 8 54.160 10.162 5.776 75 H ILE 9 HN ILE 9 48.091 8.087 1.633 76 HA ILE 9 HA ILE 9 46.294 10.055 0.802 77 HB ILE 9 HB ILE 9 46.374 7.984 -0.413 78 HG12 ILE 9 HG12 ILE 9 44.034 7.414 -0.671 79 HG13 ILE 9 HG11 ILE 9 43.648 7.988 0.963 80 HG21 ILE 9 HG21 ILE 9 46.931 6.592 1.671 81 HG22 ILE 9 HG22 ILE 9 45.882 5.826 0.460 82 HG23 ILE 9 HG23 ILE 9 45.178 6.489 1.950 83 HD11 ILE 9 HD1 ILE 9 43.104 9.569 -1.018 84 HD12 ILE 9 HD2 ILE 9 44.859 9.838 -1.124 85 HD13 ILE 9 HD3 ILE 9 43.978 10.267 0.363 86 H GLY 10 HN GLY 10 45.567 11.391 2.402 87 HA2 GLY 10 HA1 GLY 10 43.104 11.093 3.526 88 HA3 GLY 10 HA2 GLY 10 44.134 10.287 4.728 89 H LYS 11 HN LYS 11 44.980 13.078 2.695 90 HA LYS 11 HA LYS 11 46.220 14.586 4.675 91 HB2 LYS 11 HB2 LYS 11 46.030 15.070 2.163 92 HB3 LYS 11 HB1 LYS 11 44.454 15.811 2.524 93 HG2 LYS 11 HG2 LYS 11 45.854 17.687 2.663 94 HG3 LYS 11 HG1 LYS 11 45.838 17.167 4.362 95 HD2 LYS 11 HD2 LYS 11 47.981 15.987 4.046 96 HD3 LYS 11 HD1 LYS 11 47.976 16.402 2.315 97 HE2 LYS 11 HE2 LYS 11 47.905 18.845 2.994 98 HE3 LYS 11 HE1 LYS 11 48.164 18.318 4.674 99 HZ1 LYS 11 HZ1 LYS 11 50.317 18.443 4.137 100 HZ2 LYS 11 HZ2 LYS 11 50.023 18.432 2.464 101 HZ3 LYS 11 HZ3 LYS 11 50.078 16.971 3.329 102 H ALA 12 HN ALA 12 42.783 14.120 4.110 103 HA ALA 12 HA ALA 12 42.162 15.217 6.741 104 HB1 ALA 12 HB1 ALA 12 40.603 16.976 5.840 105 HB2 ALA 12 HB2 ALA 12 41.364 16.746 4.247 106 HB3 ALA 12 HB3 ALA 12 42.331 17.337 5.619 107 H GLY 13 HN GLY 13 41.626 13.287 4.080 108 HA2 GLY 13 HA1 GLY 13 39.914 11.852 3.479 109 HA3 GLY 13 HA2 GLY 13 39.496 11.849 5.204 110 H PHE 14 HN PHE 14 39.452 14.800 3.307 111 HA PHE 14 HA PHE 14 36.489 14.622 2.946 112 HB2 PHE 14 HB2 PHE 14 37.005 15.657 5.224 113 HB3 PHE 14 HB1 PHE 14 37.786 16.994 4.347 114 HD1 PHE 14 HD1 PHE 14 34.582 14.995 4.312 115 HD2 PHE 14 HD2 PHE 14 36.443 18.852 3.752 116 HE1 PHE 14 HE1 PHE 14 32.345 16.022 3.931 117 HE2 PHE 14 HE2 PHE 14 34.205 19.875 3.371 118 HZ PHE 14 HZ PHE 14 32.156 18.460 3.450 119 H ILE 15 HN ILE 15 39.610 15.573 2.009 120 HA ILE 15 HA ILE 15 38.553 16.724 -0.487 121 HB ILE 15 HB ILE 15 40.007 18.777 -0.319 122 HG12 ILE 15 HG12 ILE 15 40.117 17.991 2.633 123 HG13 ILE 15 HG11 ILE 15 41.486 17.912 1.501 124 HG21 ILE 15 HG21 ILE 15 37.488 18.704 0.204 125 HG22 ILE 15 HG22 ILE 15 38.391 20.073 0.889 126 HG23 ILE 15 HG23 ILE 15 37.947 18.696 1.923 127 HD11 ILE 15 HD1 ILE 15 40.040 20.365 2.551 128 HD12 ILE 15 HD2 ILE 15 41.010 20.436 1.059 129 HD13 ILE 15 HD3 ILE 15 41.778 19.992 2.602 130 H ILE 16 HN ILE 16 39.861 14.341 0.058 131 HA ILE 16 HA ILE 16 42.272 14.718 -1.615 132 HB ILE 16 HB ILE 16 43.059 14.958 0.773 133 HG12 ILE 16 HG12 ILE 16 44.838 13.167 0.611 134 HG13 ILE 16 HG11 ILE 16 43.950 12.461 -0.756 135 HG21 ILE 16 HG21 ILE 16 42.300 12.025 1.047 136 HG22 ILE 16 HG22 ILE 16 41.276 13.349 1.651 137 HG23 ILE 16 HG23 ILE 16 42.915 13.121 2.305 138 HD11 ILE 16 HD1 ILE 16 44.480 14.241 -2.195 139 HD12 ILE 16 HD2 ILE 16 45.940 14.188 -1.184 140 HD13 ILE 16 HD3 ILE 16 44.684 15.403 -0.862 141 H ILE 17 HN ILE 17 39.835 12.765 -0.028 142 HA ILE 17 HA ILE 17 40.650 10.284 -1.402 143 HB ILE 17 HB ILE 17 38.261 9.559 -0.487 144 HG12 ILE 17 HG12 ILE 17 37.479 10.874 1.416 145 HG13 ILE 17 HG11 ILE 17 38.822 12.021 1.234 146 HG21 ILE 17 HG21 ILE 17 40.425 8.799 0.442 147 HG22 ILE 17 HG22 ILE 17 39.252 9.126 1.740 148 HG23 ILE 17 HG23 ILE 17 40.548 10.296 1.395 149 HD11 ILE 17 HD1 ILE 17 37.941 12.886 -0.814 150 HD12 ILE 17 HD2 ILE 17 36.541 12.740 0.271 151 HD13 ILE 17 HD3 ILE 17 36.813 11.522 -0.995 152 H GLY 18 HN GLY 18 39.597 13.023 -2.622 153 HA2 GLY 18 HA1 GLY 18 38.559 11.861 -5.009 154 HA3 GLY 18 HA2 GLY 18 37.199 12.439 -4.026 155 H GLY 19 HN GLY 19 38.877 14.608 -2.838 156 HA2 GLY 19 HA1 GLY 19 38.131 16.715 -4.538 157 HA3 GLY 19 HA2 GLY 19 39.399 16.813 -3.300 158 H ALA 20 HN ALA 20 41.262 15.004 -4.317 159 HA ALA 20 HA ALA 20 42.543 16.681 -6.301 160 HB1 ALA 20 HB1 ALA 20 43.177 13.911 -5.231 161 HB2 ALA 20 HB2 ALA 20 43.894 15.458 -4.722 162 HB3 ALA 20 HB3 ALA 20 44.229 14.813 -6.347 163 H LEU 21 HN LEU 21 40.819 13.569 -6.366 164 HA LEU 21 HA LEU 21 39.905 12.400 -8.131 165 HB2 LEU 21 HB2 LEU 21 39.217 14.883 -8.716 166 HB3 LEU 21 HB1 LEU 21 40.413 14.724 -10.017 167 HG LEU 21 HG LEU 21 38.035 12.868 -9.537 168 HD11 LEU 21 HD11 LEU 21 37.399 15.097 -10.397 169 HD12 LEU 21 HD12 LEU 21 37.189 13.852 -11.652 170 HD13 LEU 21 HD13 LEU 21 38.596 14.941 -11.705 171 HD21 LEU 21 HD21 LEU 21 38.766 12.090 -11.922 172 HD22 LEU 21 HD22 LEU 21 39.717 11.517 -10.536 173 HD23 LEU 21 HD23 LEU 21 40.328 12.854 -11.540 174 H ASP 22 HN ASP 22 42.210 14.429 -10.002 175 HA ASP 22 HA ASP 22 43.845 13.728 -11.515 176 HB2 ASP 22 HB2 ASP 22 44.527 12.132 -9.018 177 HB3 ASP 22 HB1 ASP 22 45.614 12.300 -10.417 178 H HIS 23 HN HIS 23 43.974 10.615 -9.888 179 HA HIS 23 HA HIS 23 42.811 9.301 -12.348 180 HB2 HIS 23 HB2 HIS 23 45.296 9.061 -12.181 181 HB3 HIS 23 HB1 HIS 23 45.083 8.284 -10.593 182 HD1 HIS 23 HD1 HIS 23 44.061 5.898 -10.516 183 HD2 HIS 23 HD2 HIS 23 44.465 7.463 -14.400 184 HE1 HIS 23 HE1 HIS 23 43.689 3.974 -12.154 185 H LEU 24 HN LEU 24 42.752 9.749 -8.947 186 HA LEU 24 HA LEU 24 41.642 7.153 -8.241 187 HB2 LEU 24 HB2 LEU 24 41.278 9.758 -6.720 188 HB3 LEU 24 HB1 LEU 24 41.269 8.100 -6.078 189 HG LEU 24 HG LEU 24 43.679 9.488 -7.339 190 HD11 LEU 24 HD11 LEU 24 43.009 8.826 -4.437 191 HD12 LEU 24 HD12 LEU 24 43.066 10.454 -5.154 192 HD13 LEU 24 HD13 LEU 24 44.557 9.490 -5.012 193 HD21 LEU 24 HD21 LEU 24 44.847 7.460 -6.213 194 HD22 LEU 24 HD22 LEU 24 43.927 7.136 -7.700 195 HD23 LEU 24 HD23 LEU 24 43.225 6.734 -6.114 Start of MODEL 93 1 H1 GLY 1 HT1 GLY 1 58.017 0.844 8.917 2 H2 GLY 1 HT2 GLY 1 58.333 2.089 7.804 3 H3 GLY 1 HT3 GLY 1 59.618 1.267 8.555 4 HA2 GLY 1 HA1 GLY 1 59.694 0.071 6.737 5 HA3 GLY 1 HA2 GLY 1 58.298 -0.753 7.459 6 H LYS 2 HN LYS 2 58.827 -0.599 4.675 7 HA LYS 2 HA LYS 2 57.520 1.466 3.286 8 HB2 LYS 2 HB2 LYS 2 58.804 -0.460 2.284 9 HB3 LYS 2 HB1 LYS 2 57.391 -1.495 2.592 10 HG2 LYS 2 HG2 LYS 2 55.999 -0.170 1.125 11 HG3 LYS 2 HG1 LYS 2 57.255 1.083 0.973 12 HD2 LYS 2 HD2 LYS 2 58.740 -0.485 -0.179 13 HD3 LYS 2 HD1 LYS 2 57.574 -1.808 0.059 14 HE2 LYS 2 HE2 LYS 2 55.950 -0.746 -1.377 15 HE3 LYS 2 HE1 LYS 2 56.905 0.756 -1.443 16 HZ1 LYS 2 HZ1 LYS 2 57.556 -0.234 -3.374 17 HZ2 LYS 2 HZ2 LYS 2 57.365 -1.816 -2.785 18 HZ3 LYS 2 HZ3 LYS 2 58.720 -0.897 -2.335 19 H GLY 3 HN GLY 3 55.407 1.569 2.294 20 HA2 GLY 3 HA1 GLY 3 53.082 0.237 2.528 21 HA3 GLY 3 HA2 GLY 3 53.264 0.761 4.269 22 H ARG 4 HN ARG 4 54.285 2.451 4.610 23 HA ARG 4 HA ARG 4 51.996 3.209 4.891 24 HB2 ARG 4 HB2 ARG 4 54.430 4.945 5.515 25 HB3 ARG 4 HB1 ARG 4 52.801 5.297 6.146 26 HG2 ARG 4 HG2 ARG 4 52.699 3.177 7.298 27 HG3 ARG 4 HG1 ARG 4 54.175 2.599 6.487 28 HD2 ARG 4 HD2 ARG 4 55.483 4.394 7.608 29 HD3 ARG 4 HD1 ARG 4 54.007 4.933 8.444 30 HE ARG 4 HE ARG 4 54.235 2.216 9.066 31 HH11 ARG 4 HH11 ARG 4 56.211 5.033 9.277 32 HH12 ARG 4 HH12 ARG 4 57.020 4.521 10.720 33 HH21 ARG 4 HH21 ARG 4 55.262 1.542 10.964 34 HH22 ARG 4 HH22 ARG 4 56.483 2.544 11.675 35 H TRP 5 HN TRP 5 53.785 3.841 2.336 36 HA TRP 5 HA TRP 5 53.549 6.426 1.346 37 HB2 TRP 5 HB2 TRP 5 52.949 3.839 -0.146 38 HB3 TRP 5 HB1 TRP 5 53.228 5.413 -0.929 39 HD1 TRP 5 HD1 TRP 5 55.016 2.457 0.430 40 HE1 TRP 5 HE1 TRP 5 57.588 2.840 0.451 41 HE3 TRP 5 HE3 TRP 5 55.090 7.492 -0.491 42 HZ2 TRP 5 HZ2 TRP 5 59.402 5.051 0.110 43 HZ3 TRP 5 HZ3 TRP 5 57.252 8.718 -0.638 44 HH2 TRP 5 HH2 TRP 5 59.407 7.503 -0.339 45 H LEU 6 HN LEU 6 50.956 4.315 2.206 46 HA LEU 6 HA LEU 6 48.946 6.170 0.935 47 HB2 LEU 6 HB2 LEU 6 48.440 3.330 1.891 48 HB3 LEU 6 HB1 LEU 6 47.419 4.340 0.842 49 HG LEU 6 HG LEU 6 50.189 3.266 0.138 50 HD11 LEU 6 HD11 LEU 6 48.438 1.523 0.173 51 HD12 LEU 6 HD12 LEU 6 48.929 1.885 -1.500 52 HD13 LEU 6 HD13 LEU 6 47.399 2.534 -0.861 53 HD21 LEU 6 HD21 LEU 6 49.938 5.337 -1.027 54 HD22 LEU 6 HD22 LEU 6 48.204 5.063 -1.317 55 HD23 LEU 6 HD23 LEU 6 49.418 4.106 -2.200 56 H GLU 7 HN GLU 7 50.260 4.867 3.921 57 HA GLU 7 HA GLU 7 47.848 5.660 5.474 58 HB2 GLU 7 HB2 GLU 7 50.542 4.654 6.464 59 HB3 GLU 7 HB1 GLU 7 49.011 4.721 7.370 60 HG2 GLU 7 HG2 GLU 7 48.007 3.166 5.651 61 HG3 GLU 7 HG1 GLU 7 49.624 3.005 4.923 62 H ARG 8 HN ARG 8 50.598 7.154 4.196 63 HA ARG 8 HA ARG 8 51.248 8.915 6.403 64 HB2 ARG 8 HB2 ARG 8 51.745 8.991 3.411 65 HB3 ARG 8 HB1 ARG 8 52.266 10.317 4.470 66 HG2 ARG 8 HG2 ARG 8 53.000 7.407 5.010 67 HG3 ARG 8 HG1 ARG 8 53.995 8.459 3.981 68 HD2 ARG 8 HD2 ARG 8 55.049 8.822 6.030 69 HD3 ARG 8 HD1 ARG 8 53.815 10.094 6.142 70 HE ARG 8 HE ARG 8 52.731 7.669 7.206 71 HH11 ARG 8 HH11 ARG 8 52.066 9.355 9.106 72 HH12 ARG 8 HH12 ARG 8 53.358 9.487 10.251 73 HH21 ARG 8 HH21 ARG 8 55.738 8.137 8.121 74 HH22 ARG 8 HH22 ARG 8 55.438 8.798 9.695 75 H ILE 9 HN ILE 9 50.299 10.316 3.318 76 HA ILE 9 HA ILE 9 48.867 12.436 4.565 77 HB ILE 9 HB ILE 9 49.738 12.762 2.337 78 HG12 ILE 9 HG12 ILE 9 47.806 13.667 1.161 79 HG13 ILE 9 HG11 ILE 9 46.694 12.629 2.076 80 HG21 ILE 9 HG21 ILE 9 49.232 11.457 0.434 81 HG22 ILE 9 HG22 ILE 9 47.786 10.741 1.177 82 HG23 ILE 9 HG23 ILE 9 49.403 10.248 1.724 83 HD11 ILE 9 HD1 ILE 9 48.541 14.577 3.504 84 HD12 ILE 9 HD2 ILE 9 47.029 13.838 4.089 85 HD13 ILE 9 HD3 ILE 9 46.975 15.108 2.843 86 H GLY 10 HN GLY 10 47.382 11.673 6.041 87 HA2 GLY 10 HA1 GLY 10 45.128 10.004 4.977 88 HA3 GLY 10 HA2 GLY 10 45.550 10.240 6.683 89 H LYS 11 HN LYS 11 45.479 12.906 4.390 90 HA LYS 11 HA LYS 11 42.761 13.732 5.275 91 HB2 LYS 11 HB2 LYS 11 45.272 15.359 5.847 92 HB3 LYS 11 HB1 LYS 11 43.609 15.980 5.978 93 HG2 LYS 11 HG2 LYS 11 43.143 14.046 7.589 94 HG3 LYS 11 HG1 LYS 11 44.898 13.746 7.597 95 HD2 LYS 11 HD2 LYS 11 45.266 16.115 8.318 96 HD3 LYS 11 HD1 LYS 11 43.501 16.334 8.404 97 HE2 LYS 11 HE2 LYS 11 44.319 15.809 10.639 98 HE3 LYS 11 HE1 LYS 11 43.405 14.408 10.031 99 HZ1 LYS 11 HZ1 LYS 11 46.313 14.565 9.567 100 HZ2 LYS 11 HZ2 LYS 11 45.313 13.197 9.700 101 HZ3 LYS 11 HZ3 LYS 11 45.740 14.079 11.088 102 H ALA 12 HN ALA 12 42.984 12.990 2.836 103 HA ALA 12 HA ALA 12 44.068 15.073 1.063 104 HB1 ALA 12 HB1 ALA 12 42.274 12.697 0.452 105 HB2 ALA 12 HB2 ALA 12 44.054 12.666 0.454 106 HB3 ALA 12 HB3 ALA 12 43.180 13.673 -0.727 107 H GLY 13 HN GLY 13 42.440 16.408 2.726 108 HA2 GLY 13 HA1 GLY 13 40.659 17.883 2.710 109 HA3 GLY 13 HA2 GLY 13 40.575 17.638 0.954 110 H PHE 14 HN PHE 14 39.904 15.737 3.930 111 HA PHE 14 HA PHE 14 38.086 14.409 4.474 112 HB2 PHE 14 HB2 PHE 14 36.948 16.654 4.263 113 HB3 PHE 14 HB1 PHE 14 36.516 16.214 2.594 114 HD1 PHE 14 HD1 PHE 14 34.557 14.932 2.183 115 HD2 PHE 14 HD2 PHE 14 36.278 14.976 6.143 116 HE1 PHE 14 HE1 PHE 14 32.606 13.644 3.047 117 HE2 PHE 14 HE2 PHE 14 34.327 13.689 7.004 118 HZ PHE 14 HZ PHE 14 32.463 13.078 5.469 119 H ILE 15 HN ILE 15 39.763 13.664 2.193 120 HA ILE 15 HA ILE 15 39.782 12.077 0.537 121 HB ILE 15 HB ILE 15 36.979 11.251 1.395 122 HG12 ILE 15 HG12 ILE 15 39.659 10.569 2.691 123 HG13 ILE 15 HG11 ILE 15 38.333 11.489 3.437 124 HG21 ILE 15 HG21 ILE 15 37.616 9.089 0.585 125 HG22 ILE 15 HG22 ILE 15 39.334 9.549 0.487 126 HG23 ILE 15 HG23 ILE 15 38.158 10.244 -0.649 127 HD11 ILE 15 HD1 ILE 15 38.429 8.538 2.731 128 HD12 ILE 15 HD2 ILE 15 36.874 9.378 2.960 129 HD13 ILE 15 HD3 ILE 15 38.049 9.297 4.294 130 H ILE 16 HN ILE 16 39.513 14.272 -0.527 131 HA ILE 16 HA ILE 16 37.270 14.046 -2.523 132 HB ILE 16 HB ILE 16 38.462 16.551 -1.273 133 HG12 ILE 16 HG12 ILE 16 36.733 15.132 0.077 134 HG13 ILE 16 HG11 ILE 16 36.444 16.873 -0.086 135 HG21 ILE 16 HG21 ILE 16 36.620 17.700 -2.628 136 HG22 ILE 16 HG22 ILE 16 36.407 16.156 -3.489 137 HG23 ILE 16 HG23 ILE 16 37.955 17.022 -3.584 138 HD11 ILE 16 HD1 ILE 16 35.187 14.816 -1.956 139 HD12 ILE 16 HD2 ILE 16 34.757 16.529 -1.772 140 HD13 ILE 16 HD3 ILE 16 34.409 15.379 -0.464 141 H ILE 17 HN ILE 17 40.438 15.554 -1.742 142 HA ILE 17 HA ILE 17 41.154 15.907 -4.535 143 HB ILE 17 HB ILE 17 43.048 15.657 -2.153 144 HG12 ILE 17 HG12 ILE 17 41.478 17.332 -1.484 145 HG13 ILE 17 HG11 ILE 17 42.875 18.223 -2.111 146 HG21 ILE 17 HG21 ILE 17 43.275 16.812 -4.957 147 HG22 ILE 17 HG22 ILE 17 44.322 15.633 -4.143 148 HG23 ILE 17 HG23 ILE 17 44.360 17.338 -3.650 149 HD11 ILE 17 HD1 ILE 17 40.187 17.751 -3.448 150 HD12 ILE 17 HD2 ILE 17 41.607 18.295 -4.366 151 HD13 ILE 17 HD3 ILE 17 40.963 19.298 -3.050 152 H GLY 18 HN GLY 18 41.773 13.485 -2.014 153 HA2 GLY 18 HA1 GLY 18 43.393 11.814 -3.811 154 HA3 GLY 18 HA2 GLY 18 42.895 11.438 -2.147 155 H GLY 19 HN GLY 19 40.087 11.886 -2.471 156 HA2 GLY 19 HA1 GLY 19 39.367 9.283 -3.507 157 HA3 GLY 19 HA2 GLY 19 38.253 10.551 -2.966 158 H ALA 20 HN ALA 20 39.134 12.600 -4.782 159 HA ALA 20 HA ALA 20 37.536 11.772 -7.087 160 HB1 ALA 20 HB1 ALA 20 37.481 14.058 -6.087 161 HB2 ALA 20 HB2 ALA 20 37.815 14.054 -7.835 162 HB3 ALA 20 HB3 ALA 20 39.140 14.315 -6.676 163 H LEU 21 HN LEU 21 40.836 13.208 -6.897 164 HA LEU 21 HA LEU 21 42.636 12.964 -8.340 165 HB2 LEU 21 HB2 LEU 21 41.493 10.148 -8.377 166 HB3 LEU 21 HB1 LEU 21 43.013 10.572 -9.193 167 HG LEU 21 HG LEU 21 42.601 11.293 -6.263 168 HD11 LEU 21 HD11 LEU 21 43.619 9.144 -5.616 169 HD12 LEU 21 HD12 LEU 21 43.655 8.630 -7.319 170 HD13 LEU 21 HD13 LEU 21 42.097 8.861 -6.492 171 HD21 LEU 21 HD21 LEU 21 45.028 10.694 -8.025 172 HD22 LEU 21 HD22 LEU 21 45.115 10.922 -6.264 173 HD23 LEU 21 HD23 LEU 21 44.581 12.258 -7.304 174 H ASP 22 HN ASP 22 41.140 10.463 -10.232 175 HA ASP 22 HA ASP 22 40.599 10.441 -12.492 176 HB2 ASP 22 HB2 ASP 22 39.201 12.985 -11.587 177 HB3 ASP 22 HB1 ASP 22 38.956 12.236 -13.183 178 H HIS 23 HN HIS 23 40.549 13.976 -12.406 179 HA HIS 23 HA HIS 23 43.221 14.175 -13.668 180 HB2 HIS 23 HB2 HIS 23 40.661 14.850 -15.174 181 HB3 HIS 23 HB1 HIS 23 42.297 15.336 -15.684 182 HD1 HIS 23 HD1 HIS 23 43.800 13.586 -16.774 183 HD2 HIS 23 HD2 HIS 23 40.196 11.996 -15.300 184 HE1 HIS 23 HE1 HIS 23 43.631 11.178 -17.614 185 H LEU 24 HN LEU 24 41.248 15.181 -11.412 186 HA LEU 24 HA LEU 24 40.935 17.995 -11.821 187 HB2 LEU 24 HB2 LEU 24 39.846 16.534 -10.028 188 HB3 LEU 24 HB1 LEU 24 41.395 16.597 -9.162 189 HG LEU 24 HG LEU 24 41.158 19.225 -9.452 190 HD11 LEU 24 HD11 LEU 24 39.216 19.277 -10.926 191 HD12 LEU 24 HD12 LEU 24 38.729 19.916 -9.342 192 HD13 LEU 24 HD13 LEU 24 38.282 18.260 -9.807 193 HD21 LEU 24 HD21 LEU 24 39.887 19.340 -7.326 194 HD22 LEU 24 HD22 LEU 24 41.090 18.029 -7.286 195 HD23 LEU 24 HD23 LEU 24 39.370 17.651 -7.544 Start of MODEL 94 1 H1 GLY 1 HT1 GLY 1 61.927 -1.646 1.998 2 H2 GLY 1 HT2 GLY 1 63.225 -0.582 2.267 3 H3 GLY 1 HT3 GLY 1 61.634 0.013 2.182 4 HA2 GLY 1 HA1 GLY 1 62.280 -2.012 4.168 5 HA3 GLY 1 HA2 GLY 1 62.813 -0.340 4.437 6 H LYS 2 HN LYS 2 61.498 0.515 5.905 7 HA LYS 2 HA LYS 2 58.584 0.628 5.261 8 HB2 LYS 2 HB2 LYS 2 59.576 -0.207 8.016 9 HB3 LYS 2 HB1 LYS 2 57.892 -0.118 7.445 10 HG2 LYS 2 HG2 LYS 2 58.486 -1.869 5.706 11 HG3 LYS 2 HG1 LYS 2 60.057 -2.052 6.521 12 HD2 LYS 2 HD2 LYS 2 58.784 -2.504 8.672 13 HD3 LYS 2 HD1 LYS 2 57.294 -2.557 7.698 14 HE2 LYS 2 HE2 LYS 2 58.224 -4.832 8.048 15 HE3 LYS 2 HE1 LYS 2 58.242 -4.382 6.327 16 HZ1 LYS 2 HZ1 LYS 2 60.573 -3.983 8.126 17 HZ2 LYS 2 HZ2 LYS 2 60.537 -3.908 6.429 18 HZ3 LYS 2 HZ3 LYS 2 60.344 -5.399 7.220 19 H GLY 3 HN GLY 3 58.276 1.548 8.179 20 HA2 GLY 3 HA1 GLY 3 57.915 3.805 8.987 21 HA3 GLY 3 HA2 GLY 3 59.755 3.855 8.796 22 H ARG 4 HN ARG 4 56.842 3.571 7.764 23 HA ARG 4 HA ARG 4 56.180 5.632 7.749 24 HB2 ARG 4 HB2 ARG 4 57.699 5.778 5.193 25 HB3 ARG 4 HB1 ARG 4 56.078 6.505 5.084 26 HG2 ARG 4 HG2 ARG 4 56.588 8.279 6.496 27 HG3 ARG 4 HG1 ARG 4 57.715 7.343 7.486 28 HD2 ARG 4 HD2 ARG 4 59.444 7.513 5.767 29 HD3 ARG 4 HD1 ARG 4 58.294 8.258 4.633 30 HE ARG 4 HE ARG 4 58.331 9.889 6.944 31 HH11 ARG 4 HH11 ARG 4 60.494 8.729 4.519 32 HH12 ARG 4 HH12 ARG 4 61.480 10.153 4.531 33 HH21 ARG 4 HH21 ARG 4 59.591 11.765 6.951 34 HH22 ARG 4 HH22 ARG 4 60.969 11.871 5.907 35 H TRP 5 HN TRP 5 56.189 2.773 6.341 36 HA TRP 5 HA TRP 5 54.178 2.459 4.462 37 HB2 TRP 5 HB2 TRP 5 55.427 0.571 5.414 38 HB3 TRP 5 HB1 TRP 5 54.609 0.807 6.977 39 HD1 TRP 5 HD1 TRP 5 53.233 0.592 3.345 40 HE1 TRP 5 HE1 TRP 5 51.288 -1.135 3.289 41 HE3 TRP 5 HE3 TRP 5 53.354 -0.921 8.234 42 HZ2 TRP 5 HZ2 TRP 5 49.987 -2.918 5.139 43 HZ3 TRP 5 HZ3 TRP 5 51.754 -2.635 9.067 44 HH2 TRP 5 HH2 TRP 5 50.071 -3.635 7.526 45 H LEU 6 HN LEU 6 53.913 3.655 7.684 46 HA LEU 6 HA LEU 6 50.922 3.429 7.683 47 HB2 LEU 6 HB2 LEU 6 52.736 4.373 9.931 48 HB3 LEU 6 HB1 LEU 6 51.042 3.829 10.036 49 HG LEU 6 HG LEU 6 53.476 2.127 9.332 50 HD11 LEU 6 HD11 LEU 6 53.139 2.694 11.746 51 HD12 LEU 6 HD12 LEU 6 52.928 0.958 11.419 52 HD13 LEU 6 HD13 LEU 6 51.504 1.999 11.657 53 HD21 LEU 6 HD21 LEU 6 51.719 1.241 7.988 54 HD22 LEU 6 HD22 LEU 6 50.485 1.557 9.232 55 HD23 LEU 6 HD23 LEU 6 51.672 0.250 9.462 56 H GLU 7 HN GLU 7 53.595 5.697 7.250 57 HA GLU 7 HA GLU 7 52.116 8.059 8.041 58 HB2 GLU 7 HB2 GLU 7 54.618 7.874 7.729 59 HB3 GLU 7 HB1 GLU 7 54.338 7.839 5.973 60 HG2 GLU 7 HG2 GLU 7 53.236 10.081 7.722 61 HG3 GLU 7 HG1 GLU 7 54.883 10.138 7.058 62 H ARG 8 HN ARG 8 52.142 6.022 5.207 63 HA ARG 8 HA ARG 8 51.093 7.899 3.310 64 HB2 ARG 8 HB2 ARG 8 50.520 4.917 3.392 65 HB3 ARG 8 HB1 ARG 8 50.551 5.984 1.969 66 HG2 ARG 8 HG2 ARG 8 52.943 5.304 3.740 67 HG3 ARG 8 HG1 ARG 8 52.633 4.653 2.116 68 HD2 ARG 8 HD2 ARG 8 52.555 7.163 1.367 69 HD3 ARG 8 HD1 ARG 8 53.378 7.482 2.914 70 HE ARG 8 HE ARG 8 54.715 5.360 1.491 71 HH11 ARG 8 HH11 ARG 8 56.229 7.488 2.839 72 HH12 ARG 8 HH12 ARG 8 56.827 8.443 1.523 73 HH21 ARG 8 HH21 ARG 8 54.592 7.140 -0.786 74 HH22 ARG 8 HH22 ARG 8 55.899 8.247 -0.529 75 H ILE 9 HN ILE 9 48.922 7.822 2.340 76 HA ILE 9 HA ILE 9 46.693 6.880 3.982 77 HB ILE 9 HB ILE 9 47.321 8.955 5.224 78 HG12 ILE 9 HG12 ILE 9 44.744 9.271 3.610 79 HG13 ILE 9 HG11 ILE 9 44.931 8.166 4.991 80 HG21 ILE 9 HG21 ILE 9 48.253 10.082 3.114 81 HG22 ILE 9 HG22 ILE 9 47.268 11.112 4.176 82 HG23 ILE 9 HG23 ILE 9 46.567 10.451 2.681 83 HD11 ILE 9 HD1 ILE 9 45.049 11.204 4.980 84 HD12 ILE 9 HD2 ILE 9 45.691 10.245 6.335 85 HD13 ILE 9 HD3 ILE 9 43.967 10.144 5.909 86 H GLY 10 HN GLY 10 47.890 9.007 1.391 87 HA2 GLY 10 HA1 GLY 10 47.205 9.093 -0.829 88 HA3 GLY 10 HA2 GLY 10 46.042 7.792 -0.507 89 H LYS 11 HN LYS 11 44.487 8.888 1.495 90 HA LYS 11 HA LYS 11 42.847 10.721 -0.090 91 HB2 LYS 11 HB2 LYS 11 42.571 9.690 2.760 92 HB3 LYS 11 HB1 LYS 11 41.343 10.646 1.892 93 HG2 LYS 11 HG2 LYS 11 41.010 8.920 0.259 94 HG3 LYS 11 HG1 LYS 11 42.468 8.043 0.780 95 HD2 LYS 11 HD2 LYS 11 40.490 6.907 1.668 96 HD3 LYS 11 HD1 LYS 11 41.390 7.650 3.011 97 HE2 LYS 11 HE2 LYS 11 39.818 9.431 3.222 98 HE3 LYS 11 HE1 LYS 11 39.090 9.090 1.634 99 HZ1 LYS 11 HZ1 LYS 11 38.347 8.069 4.125 100 HZ2 LYS 11 HZ2 LYS 11 38.967 6.771 3.222 101 HZ3 LYS 11 HZ3 LYS 11 37.687 7.703 2.607 102 H ALA 12 HN ALA 12 43.965 12.644 -0.359 103 HA ALA 12 HA ALA 12 45.290 14.046 1.754 104 HB1 ALA 12 HB1 ALA 12 45.192 15.977 0.271 105 HB2 ALA 12 HB2 ALA 12 43.927 15.195 -0.707 106 HB3 ALA 12 HB3 ALA 12 45.573 14.518 -0.672 107 H GLY 13 HN GLY 13 42.075 13.244 1.433 108 HA2 GLY 13 HA1 GLY 13 40.136 14.007 2.432 109 HA3 GLY 13 HA2 GLY 13 41.203 14.645 3.699 110 H PHE 14 HN PHE 14 40.657 15.506 0.249 111 HA PHE 14 HA PHE 14 39.332 17.988 0.946 112 HB2 PHE 14 HB2 PHE 14 41.745 18.448 1.625 113 HB3 PHE 14 HB1 PHE 14 42.168 18.313 -0.097 114 HD1 PHE 14 HD1 PHE 14 39.618 20.020 2.116 115 HD2 PHE 14 HD2 PHE 14 42.138 20.301 -1.380 116 HE1 PHE 14 HE1 PHE 14 38.881 22.372 1.769 117 HE2 PHE 14 HE2 PHE 14 41.398 22.652 -1.724 118 HZ PHE 14 HZ PHE 14 39.803 23.702 -0.125 119 H ILE 15 HN ILE 15 41.426 16.353 -1.476 120 HA ILE 15 HA ILE 15 39.293 16.684 -3.483 121 HB ILE 15 HB ILE 15 40.919 17.736 -5.160 122 HG12 ILE 15 HG12 ILE 15 42.449 18.282 -2.571 123 HG13 ILE 15 HG11 ILE 15 43.015 17.309 -3.945 124 HG21 ILE 15 HG21 ILE 15 40.333 19.537 -2.774 125 HG22 ILE 15 HG22 ILE 15 39.060 18.968 -3.879 126 HG23 ILE 15 HG23 ILE 15 40.385 19.978 -4.496 127 HD11 ILE 15 HD1 ILE 15 42.611 20.313 -3.787 128 HD12 ILE 15 HD2 ILE 15 42.640 19.476 -5.359 129 HD13 ILE 15 HD3 ILE 15 44.057 19.407 -4.286 130 H ILE 16 HN ILE 16 39.840 14.365 -2.588 131 HA ILE 16 HA ILE 16 41.435 13.078 -4.766 132 HB ILE 16 HB ILE 16 41.758 12.684 -1.768 133 HG12 ILE 16 HG12 ILE 16 43.228 14.303 -3.205 134 HG13 ILE 16 HG11 ILE 16 44.039 13.193 -2.090 135 HG21 ILE 16 HG21 ILE 16 42.410 10.721 -4.000 136 HG22 ILE 16 HG22 ILE 16 41.490 10.434 -2.505 137 HG23 ILE 16 HG23 ILE 16 43.247 10.680 -2.430 138 HD11 ILE 16 HD1 ILE 16 43.617 12.462 -5.018 139 HD12 ILE 16 HD2 ILE 16 44.760 11.761 -3.853 140 HD13 ILE 16 HD3 ILE 16 45.020 13.404 -4.473 141 H ILE 17 HN ILE 17 39.648 12.183 -1.774 142 HA ILE 17 HA ILE 17 38.376 9.940 -3.093 143 HB ILE 17 HB ILE 17 38.710 9.912 -0.658 144 HG12 ILE 17 HG12 ILE 17 36.478 9.251 0.082 145 HG13 ILE 17 HG11 ILE 17 35.717 10.164 -1.237 146 HG21 ILE 17 HG21 ILE 17 36.702 12.196 -0.510 147 HG22 ILE 17 HG22 ILE 17 38.464 12.428 -0.422 148 HG23 ILE 17 HG23 ILE 17 37.627 11.477 0.827 149 HD11 ILE 17 HD1 ILE 17 36.031 7.571 -1.510 150 HD12 ILE 17 HD2 ILE 17 37.731 7.974 -1.850 151 HD13 ILE 17 HD3 ILE 17 36.435 8.626 -2.885 152 H GLY 18 HN GLY 18 37.455 13.279 -2.301 153 HA2 GLY 18 HA1 GLY 18 34.731 12.935 -3.352 154 HA3 GLY 18 HA2 GLY 18 35.476 14.436 -2.768 155 H GLY 19 HN GLY 19 37.775 14.516 -4.359 156 HA2 GLY 19 HA1 GLY 19 36.642 15.608 -6.785 157 HA3 GLY 19 HA2 GLY 19 38.367 15.453 -6.397 158 H ALA 20 HN ALA 20 38.395 12.623 -5.966 159 HA ALA 20 HA ALA 20 38.828 10.733 -7.239 160 HB1 ALA 20 HB1 ALA 20 36.362 11.538 -8.810 161 HB2 ALA 20 HB2 ALA 20 36.297 10.792 -7.194 162 HB3 ALA 20 HB3 ALA 20 37.013 9.901 -8.560 163 H LEU 21 HN LEU 21 39.583 13.596 -8.242 164 HA LEU 21 HA LEU 21 40.686 14.485 -10.080 165 HB2 LEU 21 HB2 LEU 21 41.293 11.520 -10.324 166 HB3 LEU 21 HB1 LEU 21 41.943 12.691 -11.496 167 HG LEU 21 HG LEU 21 43.066 13.930 -9.723 168 HD11 LEU 21 HD11 LEU 21 41.563 13.796 -7.873 169 HD12 LEU 21 HD12 LEU 21 43.003 12.894 -7.352 170 HD13 LEU 21 HD13 LEU 21 41.554 12.016 -7.901 171 HD21 LEU 21 HD21 LEU 21 43.470 10.918 -9.428 172 HD22 LEU 21 HD22 LEU 21 44.635 12.168 -8.927 173 HD23 LEU 21 HD23 LEU 21 44.236 11.959 -10.649 174 H ASP 22 HN ASP 22 37.825 13.071 -10.309 175 HA ASP 22 HA ASP 22 37.636 12.630 -13.202 176 HB2 ASP 22 HB2 ASP 22 36.180 11.397 -11.673 177 HB3 ASP 22 HB1 ASP 22 35.510 12.918 -11.039 178 H HIS 23 HN HIS 23 35.049 14.475 -11.861 179 HA HIS 23 HA HIS 23 35.413 16.551 -13.867 180 HB2 HIS 23 HB2 HIS 23 33.418 17.572 -12.784 181 HB3 HIS 23 HB1 HIS 23 33.174 15.850 -13.161 182 HD1 HIS 23 HD1 HIS 23 35.379 15.574 -10.469 183 HD2 HIS 23 HD2 HIS 23 31.368 16.819 -10.691 184 HE1 HIS 23 HE1 HIS 23 34.364 15.289 -8.143 185 H LEU 24 HN LEU 24 37.252 16.008 -11.314 186 HA LEU 24 HA LEU 24 37.248 18.254 -9.650 187 HB2 LEU 24 HB2 LEU 24 38.747 16.409 -9.235 188 HB3 LEU 24 HB1 LEU 24 39.566 16.647 -10.793 189 HG LEU 24 HG LEU 24 40.536 18.743 -10.049 190 HD11 LEU 24 HD11 LEU 24 40.083 19.453 -7.591 191 HD12 LEU 24 HD12 LEU 24 38.652 18.398 -7.684 192 HD13 LEU 24 HD13 LEU 24 38.808 19.790 -8.784 193 HD21 LEU 24 HD21 LEU 24 40.694 16.649 -7.836 194 HD22 LEU 24 HD22 LEU 24 41.865 17.962 -8.105 195 HD23 LEU 24 HD23 LEU 24 41.676 16.675 -9.320 Start of MODEL 95 1 H1 GLY 1 HT1 GLY 1 58.897 1.852 12.571 2 H2 GLY 1 HT2 GLY 1 58.182 3.329 12.132 3 H3 GLY 1 HT3 GLY 1 59.392 3.287 13.325 4 HA2 GLY 1 HA1 GLY 1 60.666 3.941 11.652 5 HA3 GLY 1 HA2 GLY 1 60.738 2.186 11.400 6 H LYS 2 HN LYS 2 58.866 5.107 10.522 7 HA LYS 2 HA LYS 2 57.770 5.647 8.561 8 HB2 LYS 2 HB2 LYS 2 60.211 5.264 7.791 9 HB3 LYS 2 HB1 LYS 2 59.640 3.710 7.149 10 HG2 LYS 2 HG2 LYS 2 58.042 4.837 5.686 11 HG3 LYS 2 HG1 LYS 2 58.393 6.407 6.441 12 HD2 LYS 2 HD2 LYS 2 59.592 6.238 4.312 13 HD3 LYS 2 HD1 LYS 2 60.754 6.236 5.658 14 HE2 LYS 2 HE2 LYS 2 59.728 3.592 4.582 15 HE3 LYS 2 HE1 LYS 2 61.008 4.463 3.707 16 HZ1 LYS 2 HZ1 LYS 2 61.663 4.528 6.415 17 HZ2 LYS 2 HZ2 LYS 2 62.451 3.684 5.168 18 HZ3 LYS 2 HZ3 LYS 2 61.219 2.929 6.062 19 H GLY 3 HN GLY 3 58.115 3.172 6.413 20 HA2 GLY 3 HA1 GLY 3 56.868 1.004 6.326 21 HA3 GLY 3 HA2 GLY 3 55.598 1.722 7.418 22 H ARG 4 HN ARG 4 55.109 3.638 7.165 23 HA ARG 4 HA ARG 4 53.258 2.532 6.051 24 HB2 ARG 4 HB2 ARG 4 53.288 5.561 6.481 25 HB3 ARG 4 HB1 ARG 4 51.810 4.593 6.234 26 HG2 ARG 4 HG2 ARG 4 52.325 3.233 8.208 27 HG3 ARG 4 HG1 ARG 4 53.867 4.093 8.433 28 HD2 ARG 4 HD2 ARG 4 52.660 6.207 8.803 29 HD3 ARG 4 HD1 ARG 4 51.106 5.386 8.524 30 HE ARG 4 HE ARG 4 52.520 5.411 11.010 31 HH11 ARG 4 HH11 ARG 4 53.062 2.951 11.557 32 HH12 ARG 4 HH12 ARG 4 51.619 1.993 11.597 33 HH21 ARG 4 HH21 ARG 4 49.707 4.326 9.887 34 HH22 ARG 4 HH22 ARG 4 49.720 2.771 10.651 35 H TRP 5 HN TRP 5 55.640 3.981 4.528 36 HA TRP 5 HA TRP 5 54.890 5.461 2.300 37 HB2 TRP 5 HB2 TRP 5 57.208 4.633 2.810 38 HB3 TRP 5 HB1 TRP 5 56.742 3.050 2.143 39 HD1 TRP 5 HD1 TRP 5 57.383 6.681 1.121 40 HE1 TRP 5 HE1 TRP 5 57.685 6.821 -1.459 41 HE3 TRP 5 HE3 TRP 5 56.139 1.868 -0.101 42 HZ2 TRP 5 HZ2 TRP 5 57.414 5.060 -3.720 43 HZ3 TRP 5 HZ3 TRP 5 56.167 1.120 -2.475 44 HH2 TRP 5 HH2 TRP 5 56.803 2.710 -4.284 45 H LEU 6 HN LEU 6 53.916 2.232 3.053 46 HA LEU 6 HA LEU 6 52.746 1.855 0.304 47 HB2 LEU 6 HB2 LEU 6 54.302 0.092 1.098 48 HB3 LEU 6 HB1 LEU 6 53.273 -0.172 2.519 49 HG LEU 6 HG LEU 6 51.829 -0.288 -0.126 50 HD11 LEU 6 HD11 LEU 6 52.599 -2.639 -0.547 51 HD12 LEU 6 HD12 LEU 6 53.864 -2.410 0.684 52 HD13 LEU 6 HD13 LEU 6 53.878 -1.428 -0.800 53 HD21 LEU 6 HD21 LEU 6 51.903 -2.092 2.345 54 HD22 LEU 6 HD22 LEU 6 50.802 -2.293 0.963 55 HD23 LEU 6 HD23 LEU 6 50.682 -0.848 1.989 56 H GLU 7 HN GLU 7 52.069 2.278 3.747 57 HA GLU 7 HA GLU 7 49.177 1.607 3.297 58 HB2 GLU 7 HB2 GLU 7 50.781 2.193 5.818 59 HB3 GLU 7 HB1 GLU 7 49.036 1.842 5.779 60 HG2 GLU 7 HG2 GLU 7 49.488 -0.356 4.745 61 HG3 GLU 7 HG1 GLU 7 51.234 -0.006 4.742 62 H ARG 8 HN ARG 8 50.642 4.032 2.235 63 HA ARG 8 HA ARG 8 50.083 6.366 3.681 64 HB2 ARG 8 HB2 ARG 8 51.263 6.131 1.425 65 HB3 ARG 8 HB1 ARG 8 49.648 6.074 0.688 66 HG2 ARG 8 HG2 ARG 8 49.982 8.372 0.555 67 HG3 ARG 8 HG1 ARG 8 49.304 8.315 2.195 68 HD2 ARG 8 HD2 ARG 8 52.288 8.252 1.532 69 HD3 ARG 8 HD1 ARG 8 51.389 9.694 2.049 70 HE ARG 8 HE ARG 8 52.286 7.526 3.780 71 HH11 ARG 8 HH11 ARG 8 51.111 10.621 3.734 72 HH12 ARG 8 HH12 ARG 8 50.161 10.495 5.176 73 HH21 ARG 8 HH21 ARG 8 50.535 7.058 5.439 74 HH22 ARG 8 HH22 ARG 8 49.835 8.477 6.142 75 H ILE 9 HN ILE 9 48.351 7.678 4.036 76 HA ILE 9 HA ILE 9 45.728 6.431 3.880 77 HB ILE 9 HB ILE 9 46.424 8.021 5.704 78 HG12 ILE 9 HG12 ILE 9 44.015 8.911 4.048 79 HG13 ILE 9 HG11 ILE 9 44.028 7.552 5.196 80 HG21 ILE 9 HG21 ILE 9 45.985 10.215 3.640 81 HG22 ILE 9 HG22 ILE 9 47.603 9.589 4.037 82 HG23 ILE 9 HG23 ILE 9 46.620 10.371 5.295 83 HD11 ILE 9 HD1 ILE 9 44.309 10.520 5.774 84 HD12 ILE 9 HD2 ILE 9 44.841 9.292 6.950 85 HD13 ILE 9 HD3 ILE 9 43.136 9.364 6.447 86 H GLY 10 HN GLY 10 47.428 9.026 2.125 87 HA2 GLY 10 HA1 GLY 10 47.041 9.776 -0.047 88 HA3 GLY 10 HA2 GLY 10 45.714 8.611 -0.204 89 H LYS 11 HN LYS 11 43.888 9.239 1.601 90 HA LYS 11 HA LYS 11 42.653 11.579 0.531 91 HB2 LYS 11 HB2 LYS 11 42.146 10.018 3.091 92 HB3 LYS 11 HB1 LYS 11 41.095 11.330 2.507 93 HG2 LYS 11 HG2 LYS 11 40.528 10.131 0.513 94 HG3 LYS 11 HG1 LYS 11 41.830 8.944 0.766 95 HD2 LYS 11 HD2 LYS 11 39.646 7.974 1.382 96 HD3 LYS 11 HD1 LYS 11 40.687 8.131 2.816 97 HE2 LYS 11 HE2 LYS 11 39.483 10.014 3.627 98 HE3 LYS 11 HE1 LYS 11 38.702 10.306 2.053 99 HZ1 LYS 11 HZ1 LYS 11 38.109 8.259 4.084 100 HZ2 LYS 11 HZ2 LYS 11 37.790 7.912 2.451 101 HZ3 LYS 11 HZ3 LYS 11 37.048 9.243 3.200 102 H ALA 12 HN ALA 12 43.706 13.492 0.663 103 HA ALA 12 HA ALA 12 45.201 14.313 2.996 104 HB1 ALA 12 HB1 ALA 12 44.001 16.034 0.798 105 HB2 ALA 12 HB2 ALA 12 45.561 15.185 0.682 106 HB3 ALA 12 HB3 ALA 12 45.334 16.471 1.890 107 H GLY 13 HN GLY 13 42.003 13.741 2.692 108 HA2 GLY 13 HA1 GLY 13 40.093 14.538 3.742 109 HA3 GLY 13 HA2 GLY 13 41.191 14.820 5.107 110 H PHE 14 HN PHE 14 41.236 16.449 1.935 111 HA PHE 14 HA PHE 14 39.856 18.807 2.918 112 HB2 PHE 14 HB2 PHE 14 42.120 18.892 4.112 113 HB3 PHE 14 HB1 PHE 14 42.850 19.136 2.509 114 HD1 PHE 14 HD1 PHE 14 43.137 21.368 1.782 115 HD2 PHE 14 HD2 PHE 14 39.984 20.462 4.592 116 HE1 PHE 14 HE1 PHE 14 42.553 23.785 1.909 117 HE2 PHE 14 HE2 PHE 14 39.404 22.880 4.715 118 HZ PHE 14 HZ PHE 14 40.693 24.542 3.381 119 H ILE 15 HN ILE 15 41.829 17.114 0.557 120 HA ILE 15 HA ILE 15 40.395 18.530 -1.601 121 HB ILE 15 HB ILE 15 42.611 19.021 -2.817 122 HG12 ILE 15 HG12 ILE 15 43.681 18.778 0.036 123 HG13 ILE 15 HG11 ILE 15 43.997 17.608 -1.264 124 HG21 ILE 15 HG21 ILE 15 42.207 20.619 -0.256 125 HG22 ILE 15 HG22 ILE 15 41.114 20.744 -1.654 126 HG23 ILE 15 HG23 ILE 15 42.824 21.202 -1.817 127 HD11 ILE 15 HD1 ILE 15 45.899 19.023 -1.309 128 HD12 ILE 15 HD2 ILE 15 44.930 20.488 -1.040 129 HD13 ILE 15 HD3 ILE 15 44.878 19.664 -2.618 130 H ILE 16 HN ILE 16 39.834 16.086 -1.150 131 HA ILE 16 HA ILE 16 41.067 14.626 -3.412 132 HB ILE 16 HB ILE 16 41.188 13.713 -0.515 133 HG12 ILE 16 HG12 ILE 16 43.193 14.832 -1.382 134 HG13 ILE 16 HG11 ILE 16 43.524 13.116 -1.089 135 HG21 ILE 16 HG21 ILE 16 40.294 11.721 -1.318 136 HG22 ILE 16 HG22 ILE 16 41.995 11.435 -1.749 137 HG23 ILE 16 HG23 ILE 16 40.846 12.005 -2.983 138 HD11 ILE 16 HD1 ILE 16 42.847 12.922 -3.704 139 HD12 ILE 16 HD2 ILE 16 44.497 13.326 -3.195 140 HD13 ILE 16 HD3 ILE 16 43.387 14.614 -3.704 141 H ILE 17 HN ILE 17 38.836 14.420 -0.607 142 HA ILE 17 HA ILE 17 37.010 12.655 -2.046 143 HB ILE 17 HB ILE 17 35.415 13.423 -0.062 144 HG12 ILE 17 HG12 ILE 17 36.585 14.317 1.879 145 HG13 ILE 17 HG11 ILE 17 38.138 14.289 1.020 146 HG21 ILE 17 HG21 ILE 17 38.010 11.871 0.331 147 HG22 ILE 17 HG22 ILE 17 36.421 11.214 -0.132 148 HG23 ILE 17 HG23 ILE 17 36.668 11.883 1.500 149 HD11 ILE 17 HD1 ILE 17 35.758 15.903 0.026 150 HD12 ILE 17 HD2 ILE 17 37.468 16.055 -0.453 151 HD13 ILE 17 HD3 ILE 17 36.948 16.563 1.169 152 H GLY 18 HN GLY 18 37.833 15.604 -2.862 153 HA2 GLY 18 HA1 GLY 18 35.387 16.127 -4.286 154 HA3 GLY 18 HA2 GLY 18 35.527 17.215 -2.891 155 H GLY 19 HN GLY 19 38.578 16.954 -3.213 156 HA2 GLY 19 HA1 GLY 19 38.830 19.314 -4.936 157 HA3 GLY 19 HA2 GLY 19 40.118 18.516 -4.015 158 H ALA 20 HN ALA 20 39.433 15.857 -5.170 159 HA ALA 20 HA ALA 20 41.246 15.976 -7.404 160 HB1 ALA 20 HB1 ALA 20 41.038 13.976 -6.041 161 HB2 ALA 20 HB2 ALA 20 40.600 13.596 -7.724 162 HB3 ALA 20 HB3 ALA 20 39.327 13.805 -6.496 163 H LEU 21 HN LEU 21 37.953 14.588 -7.557 164 HA LEU 21 HA LEU 21 36.352 14.707 -9.230 165 HB2 LEU 21 HB2 LEU 21 37.528 17.404 -9.985 166 HB3 LEU 21 HB1 LEU 21 35.852 16.839 -10.172 167 HG LEU 21 HG LEU 21 37.302 17.370 -7.542 168 HD11 LEU 21 HD11 LEU 21 34.866 18.723 -8.780 169 HD12 LEU 21 HD12 LEU 21 36.522 19.362 -8.897 170 HD13 LEU 21 HD13 LEU 21 35.735 19.213 -7.307 171 HD21 LEU 21 HD21 LEU 21 34.890 16.977 -6.641 172 HD22 LEU 21 HD22 LEU 21 35.834 15.543 -7.097 173 HD23 LEU 21 HD23 LEU 21 34.580 16.167 -8.196 174 H ASP 22 HN ASP 22 39.539 14.348 -9.776 175 HA ASP 22 HA ASP 22 39.612 14.671 -12.684 176 HB2 ASP 22 HB2 ASP 22 41.809 13.606 -12.513 177 HB3 ASP 22 HB1 ASP 22 41.639 14.840 -11.241 178 H HIS 23 HN HIS 23 41.151 11.893 -12.540 179 HA HIS 23 HA HIS 23 38.940 10.397 -13.737 180 HB2 HIS 23 HB2 HIS 23 41.680 9.335 -12.963 181 HB3 HIS 23 HB1 HIS 23 40.580 8.723 -14.220 182 HD1 HIS 23 HD1 HIS 23 40.271 12.248 -14.499 183 HD2 HIS 23 HD2 HIS 23 43.314 9.546 -15.555 184 HE1 HIS 23 HE1 HIS 23 41.709 13.381 -16.281 185 H LEU 24 HN LEU 24 38.483 11.164 -10.989 186 HA LEU 24 HA LEU 24 37.618 8.598 -9.975 187 HB2 LEU 24 HB2 LEU 24 39.910 8.273 -9.311 188 HB3 LEU 24 HB1 LEU 24 40.029 9.928 -8.679 189 HG LEU 24 HG LEU 24 38.531 9.420 -6.843 190 HD11 LEU 24 HD11 LEU 24 38.055 6.829 -8.369 191 HD12 LEU 24 HD12 LEU 24 36.856 8.027 -7.820 192 HD13 LEU 24 HD13 LEU 24 37.676 6.983 -6.637 193 HD21 LEU 24 HD21 LEU 24 40.916 8.679 -6.648 194 HD22 LEU 24 HD22 LEU 24 40.435 7.068 -7.236 195 HD23 LEU 24 HD23 LEU 24 39.806 7.675 -5.684 Start of MODEL 96 1 H1 GLY 1 HT1 GLY 1 56.386 3.037 -4.645 2 H2 GLY 1 HT2 GLY 1 54.843 2.994 -3.934 3 H3 GLY 1 HT3 GLY 1 56.161 2.247 -3.164 4 HA2 GLY 1 HA1 GLY 1 57.226 4.478 -3.079 5 HA3 GLY 1 HA2 GLY 1 55.633 5.110 -3.540 6 H LYS 2 HN LYS 2 56.984 2.685 -1.253 7 HA LYS 2 HA LYS 2 54.861 3.126 0.674 8 HB2 LYS 2 HB2 LYS 2 57.608 1.977 1.274 9 HB3 LYS 2 HB1 LYS 2 56.061 1.621 2.080 10 HG2 LYS 2 HG2 LYS 2 56.795 0.919 -0.799 11 HG3 LYS 2 HG1 LYS 2 56.678 -0.220 0.564 12 HD2 LYS 2 HD2 LYS 2 54.233 0.639 0.822 13 HD3 LYS 2 HD1 LYS 2 54.446 1.334 -0.802 14 HE2 LYS 2 HE2 LYS 2 54.759 -1.601 -0.037 15 HE3 LYS 2 HE1 LYS 2 53.436 -0.891 -0.993 16 HZ1 LYS 2 HZ1 LYS 2 56.079 -0.279 -1.986 17 HZ2 LYS 2 HZ2 LYS 2 54.701 -0.822 -2.818 18 HZ3 LYS 2 HZ3 LYS 2 55.708 -1.933 -2.017 19 H GLY 3 HN GLY 3 57.179 3.115 2.827 20 HA2 GLY 3 HA1 GLY 3 57.686 4.836 4.458 21 HA3 GLY 3 HA2 GLY 3 58.463 5.612 2.974 22 H ARG 4 HN ARG 4 56.061 4.489 4.623 23 HA ARG 4 HA ARG 4 55.758 6.174 6.002 24 HB2 ARG 4 HB2 ARG 4 54.345 7.363 3.693 25 HB3 ARG 4 HB1 ARG 4 53.345 7.414 5.156 26 HG2 ARG 4 HG2 ARG 4 54.753 8.886 6.292 27 HG3 ARG 4 HG1 ARG 4 56.209 8.372 5.426 28 HD2 ARG 4 HD2 ARG 4 53.926 9.963 4.175 29 HD3 ARG 4 HD1 ARG 4 55.425 10.680 4.811 30 HE ARG 4 HE ARG 4 56.675 9.411 3.061 31 HH11 ARG 4 HH11 ARG 4 54.614 11.288 1.756 32 HH12 ARG 4 HH12 ARG 4 53.990 10.258 0.510 33 HH21 ARG 4 HH21 ARG 4 55.283 7.353 1.894 34 HH22 ARG 4 HH22 ARG 4 54.370 8.031 0.587 35 H TRP 5 HN TRP 5 54.546 3.826 4.279 36 HA TRP 5 HA TRP 5 51.936 3.188 4.820 37 HB2 TRP 5 HB2 TRP 5 53.455 1.633 3.693 38 HB3 TRP 5 HB1 TRP 5 54.333 1.364 5.218 39 HD1 TRP 5 HD1 TRP 5 50.497 1.367 4.557 40 HE1 TRP 5 HE1 TRP 5 49.500 -0.872 5.412 41 HE3 TRP 5 HE3 TRP 5 54.829 -0.950 6.005 42 HZ2 TRP 5 HZ2 TRP 5 50.474 -3.323 6.564 43 HZ3 TRP 5 HZ3 TRP 5 54.769 -3.240 6.979 44 HH2 TRP 5 HH2 TRP 5 52.598 -4.428 7.258 45 H LEU 6 HN LEU 6 54.477 3.630 7.150 46 HA LEU 6 HA LEU 6 52.828 2.515 9.386 47 HB2 LEU 6 HB2 LEU 6 55.722 3.403 9.103 48 HB3 LEU 6 HB1 LEU 6 54.979 3.168 10.702 49 HG LEU 6 HG LEU 6 54.350 0.830 10.016 50 HD11 LEU 6 HD11 LEU 6 55.901 1.651 7.527 51 HD12 LEU 6 HD12 LEU 6 54.282 0.921 7.632 52 HD13 LEU 6 HD13 LEU 6 55.720 -0.054 8.005 53 HD21 LEU 6 HD21 LEU 6 57.308 1.555 9.811 54 HD22 LEU 6 HD22 LEU 6 56.665 -0.061 10.188 55 HD23 LEU 6 HD23 LEU 6 56.401 1.289 11.319 56 H GLU 7 HN GLU 7 53.951 5.553 7.923 57 HA GLU 7 HA GLU 7 52.602 7.056 10.187 58 HB2 GLU 7 HB2 GLU 7 54.944 7.821 8.398 59 HB3 GLU 7 HB1 GLU 7 54.080 8.968 9.448 60 HG2 GLU 7 HG2 GLU 7 56.033 8.162 10.652 61 HG3 GLU 7 HG1 GLU 7 54.590 7.438 11.402 62 H ARG 8 HN ARG 8 51.311 5.845 7.878 63 HA ARG 8 HA ARG 8 50.868 7.832 5.836 64 HB2 ARG 8 HB2 ARG 8 50.381 5.346 5.677 65 HB3 ARG 8 HB1 ARG 8 48.961 5.631 6.710 66 HG2 ARG 8 HG2 ARG 8 48.015 7.177 5.078 67 HG3 ARG 8 HG1 ARG 8 49.484 7.075 4.075 68 HD2 ARG 8 HD2 ARG 8 47.679 4.711 4.750 69 HD3 ARG 8 HD1 ARG 8 47.626 5.622 3.221 70 HE ARG 8 HE ARG 8 49.596 3.612 3.929 71 HH11 ARG 8 HH11 ARG 8 48.998 3.900 1.141 72 HH12 ARG 8 HH12 ARG 8 50.306 4.840 0.508 73 HH21 ARG 8 HH21 ARG 8 51.331 5.994 3.613 74 HH22 ARG 8 HH22 ARG 8 51.628 6.026 1.907 75 H ILE 9 HN ILE 9 49.697 9.636 5.853 76 HA ILE 9 HA ILE 9 48.288 10.424 8.274 77 HB ILE 9 HB ILE 9 47.663 12.452 6.966 78 HG12 ILE 9 HG12 ILE 9 49.020 10.928 4.692 79 HG13 ILE 9 HG11 ILE 9 47.311 11.413 4.769 80 HG21 ILE 9 HG21 ILE 9 49.962 12.091 8.065 81 HG22 ILE 9 HG22 ILE 9 49.889 13.329 6.790 82 HG23 ILE 9 HG23 ILE 9 50.573 11.724 6.435 83 HD11 ILE 9 HD1 ILE 9 48.220 13.845 5.017 84 HD12 ILE 9 HD2 ILE 9 48.311 13.080 3.412 85 HD13 ILE 9 HD3 ILE 9 49.763 13.171 4.435 86 H GLY 10 HN GLY 10 47.402 9.028 5.163 87 HA2 GLY 10 HA1 GLY 10 45.358 8.321 4.342 88 HA3 GLY 10 HA2 GLY 10 44.930 8.020 6.038 89 H LYS 11 HN LYS 11 45.470 10.925 3.987 90 HA LYS 11 HA LYS 11 42.677 11.729 4.231 91 HB2 LYS 11 HB2 LYS 11 43.646 12.294 6.511 92 HB3 LYS 11 HB1 LYS 11 44.718 13.452 5.685 93 HG2 LYS 11 HG2 LYS 11 42.775 14.650 4.775 94 HG3 LYS 11 HG1 LYS 11 41.672 13.464 5.515 95 HD2 LYS 11 HD2 LYS 11 42.407 14.106 7.756 96 HD3 LYS 11 HD1 LYS 11 43.633 15.202 7.074 97 HE2 LYS 11 HE2 LYS 11 41.673 16.507 7.744 98 HE3 LYS 11 HE1 LYS 11 41.796 16.503 5.969 99 HZ1 LYS 11 HZ1 LYS 11 40.286 14.284 6.990 100 HZ2 LYS 11 HZ2 LYS 11 39.878 15.414 5.787 101 HZ3 LYS 11 HZ3 LYS 11 39.608 15.776 7.426 102 H ALA 12 HN ALA 12 43.176 11.611 1.917 103 HA ALA 12 HA ALA 12 45.047 13.574 0.801 104 HB1 ALA 12 HB1 ALA 12 44.345 12.741 -1.327 105 HB2 ALA 12 HB2 ALA 12 42.856 12.049 -0.638 106 HB3 ALA 12 HB3 ALA 12 44.439 11.341 -0.233 107 H GLY 13 HN GLY 13 43.361 14.927 2.506 108 HA2 GLY 13 HA1 GLY 13 42.089 16.858 2.524 109 HA3 GLY 13 HA2 GLY 13 42.336 16.966 0.771 110 H PHE 14 HN PHE 14 40.588 14.826 3.067 111 HA PHE 14 HA PHE 14 38.427 14.002 2.990 112 HB2 PHE 14 HB2 PHE 14 37.944 16.469 3.148 113 HB3 PHE 14 HB1 PHE 14 37.797 16.501 1.375 114 HD1 PHE 14 HD1 PHE 14 35.656 16.129 0.435 115 HD2 PHE 14 HD2 PHE 14 36.551 14.535 4.349 116 HE1 PHE 14 HE1 PHE 14 33.312 15.309 0.640 117 HE2 PHE 14 HE2 PHE 14 34.208 13.715 4.549 118 HZ PHE 14 HZ PHE 14 32.602 14.062 2.677 119 H ILE 15 HN ILE 15 40.285 13.174 0.923 120 HA ILE 15 HA ILE 15 40.248 11.941 -1.012 121 HB ILE 15 HB ILE 15 37.206 11.958 -0.876 122 HG12 ILE 15 HG12 ILE 15 39.163 10.141 0.611 123 HG13 ILE 15 HG11 ILE 15 38.145 11.386 1.368 124 HG21 ILE 15 HG21 ILE 15 39.123 9.762 -1.754 125 HG22 ILE 15 HG22 ILE 15 38.486 10.988 -2.874 126 HG23 ILE 15 HG23 ILE 15 37.372 9.875 -2.052 127 HD11 ILE 15 HD1 ILE 15 36.906 9.390 1.672 128 HD12 ILE 15 HD2 ILE 15 37.291 8.795 0.041 129 HD13 ILE 15 HD3 ILE 15 36.143 10.140 0.250 130 H ILE 16 HN ILE 16 41.014 14.017 -1.840 131 HA ILE 16 HA ILE 16 39.375 14.770 -4.202 132 HB ILE 16 HB ILE 16 40.464 16.796 -2.201 133 HG12 ILE 16 HG12 ILE 16 37.662 15.889 -2.997 134 HG13 ILE 16 HG11 ILE 16 38.402 15.869 -1.381 135 HG21 ILE 16 HG21 ILE 16 38.885 17.317 -4.769 136 HG22 ILE 16 HG22 ILE 16 40.656 17.426 -4.701 137 HG23 ILE 16 HG23 ILE 16 39.668 18.521 -3.723 138 HD11 ILE 16 HD1 ILE 16 36.953 17.749 -1.353 139 HD12 ILE 16 HD2 ILE 16 37.440 18.252 -2.988 140 HD13 ILE 16 HD3 ILE 16 38.569 18.442 -1.625 141 H ILE 17 HN ILE 17 42.349 15.608 -2.343 142 HA ILE 17 HA ILE 17 43.941 16.155 -4.661 143 HB ILE 17 HB ILE 17 44.630 15.284 -1.815 144 HG12 ILE 17 HG12 ILE 17 45.479 17.568 -1.631 145 HG13 ILE 17 HG11 ILE 17 45.230 17.843 -3.370 146 HG21 ILE 17 HG21 ILE 17 46.435 14.329 -3.083 147 HG22 ILE 17 HG22 ILE 17 47.044 15.892 -2.489 148 HG23 ILE 17 HG23 ILE 17 46.503 15.730 -4.178 149 HD11 ILE 17 HD1 ILE 17 42.854 17.804 -3.145 150 HD12 ILE 17 HD2 ILE 17 43.431 18.778 -1.774 151 HD13 ILE 17 HD3 ILE 17 42.940 17.088 -1.517 152 H GLY 18 HN GLY 18 42.891 13.268 -3.019 153 HA2 GLY 18 HA1 GLY 18 44.620 11.515 -4.706 154 HA3 GLY 18 HA2 GLY 18 43.616 11.018 -3.325 155 H GLY 19 HN GLY 19 41.187 12.182 -3.895 156 HA2 GLY 19 HA1 GLY 19 40.200 10.347 -5.933 157 HA3 GLY 19 HA2 GLY 19 39.253 11.535 -5.019 158 H ALA 20 HN ALA 20 39.853 13.924 -5.639 159 HA ALA 20 HA ALA 20 39.671 15.537 -7.291 160 HB1 ALA 20 HB1 ALA 20 41.179 15.418 -9.142 161 HB2 ALA 20 HB2 ALA 20 41.272 13.644 -9.036 162 HB3 ALA 20 HB3 ALA 20 41.997 14.652 -7.760 163 H LEU 21 HN LEU 21 37.705 13.284 -7.131 164 HA LEU 21 HA LEU 21 35.905 12.484 -8.363 165 HB2 LEU 21 HB2 LEU 21 36.348 14.893 -10.161 166 HB3 LEU 21 HB1 LEU 21 34.815 14.069 -9.787 167 HG LEU 21 HG LEU 21 36.545 15.657 -7.837 168 HD11 LEU 21 HD11 LEU 21 33.747 16.168 -8.945 169 HD12 LEU 21 HD12 LEU 21 35.226 17.001 -9.480 170 HD13 LEU 21 HD13 LEU 21 34.640 17.211 -7.812 171 HD21 LEU 21 HD21 LEU 21 35.557 13.918 -6.539 172 HD22 LEU 21 HD22 LEU 21 34.043 13.958 -7.473 173 HD23 LEU 21 HD23 LEU 21 34.435 15.285 -6.353 174 H ASP 22 HN ASP 22 36.120 13.640 -11.421 175 HA ASP 22 HA ASP 22 37.106 11.053 -12.441 176 HB2 ASP 22 HB2 ASP 22 35.130 12.167 -13.445 177 HB3 ASP 22 HB1 ASP 22 36.154 13.547 -13.910 178 H HIS 23 HN HIS 23 39.254 11.739 -11.279 179 HA HIS 23 HA HIS 23 41.479 12.336 -11.534 180 HB2 HIS 23 HB2 HIS 23 41.194 10.859 -13.560 181 HB3 HIS 23 HB1 HIS 23 40.874 12.326 -14.517 182 HD1 HIS 23 HD1 HIS 23 42.853 13.687 -15.297 183 HD2 HIS 23 HD2 HIS 23 43.891 10.846 -12.374 184 HE1 HIS 23 HE1 HIS 23 45.403 13.681 -15.113 185 H LEU 24 HN LEU 24 39.176 14.383 -11.634 186 HA LEU 24 HA LEU 24 40.056 16.588 -13.241 187 HB2 LEU 24 HB2 LEU 24 37.782 16.273 -12.125 188 HB3 LEU 24 HB1 LEU 24 38.563 16.744 -10.600 189 HG LEU 24 HG LEU 24 39.382 18.863 -11.940 190 HD11 LEU 24 HD11 LEU 24 37.088 17.852 -13.687 191 HD12 LEU 24 HD12 LEU 24 38.748 18.244 -14.195 192 HD13 LEU 24 HD13 LEU 24 37.647 19.539 -13.683 193 HD21 LEU 24 HD21 LEU 24 36.438 18.482 -11.226 194 HD22 LEU 24 HD22 LEU 24 37.272 20.047 -11.386 195 HD23 LEU 24 HD23 LEU 24 37.738 18.918 -10.090 Start of MODEL 97 1 H1 GLY 1 HT1 GLY 1 59.790 -2.387 -1.235 2 H2 GLY 1 HT2 GLY 1 58.259 -2.013 -0.603 3 H3 GLY 1 HT3 GLY 1 59.573 -2.281 0.441 4 HA2 GLY 1 HA1 GLY 1 60.658 -0.344 -0.261 5 HA3 GLY 1 HA2 GLY 1 59.451 -0.111 -1.541 6 H LYS 2 HN LYS 2 58.376 -1.335 1.525 7 HA LYS 2 HA LYS 2 56.917 -0.411 3.074 8 HB2 LYS 2 HB2 LYS 2 58.760 1.969 2.618 9 HB3 LYS 2 HB1 LYS 2 57.560 1.863 3.930 10 HG2 LYS 2 HG2 LYS 2 58.668 -0.016 4.926 11 HG3 LYS 2 HG1 LYS 2 59.689 -0.269 3.491 12 HD2 LYS 2 HD2 LYS 2 60.957 0.832 5.320 13 HD3 LYS 2 HD1 LYS 2 60.821 1.889 3.895 14 HE2 LYS 2 HE2 LYS 2 59.182 3.264 4.925 15 HE3 LYS 2 HE1 LYS 2 58.814 2.048 6.174 16 HZ1 LYS 2 HZ1 LYS 2 60.274 3.111 7.441 17 HZ2 LYS 2 HZ2 LYS 2 60.815 4.082 6.157 18 HZ3 LYS 2 HZ3 LYS 2 61.506 2.552 6.419 19 H GLY 3 HN GLY 3 57.295 2.849 1.958 20 HA2 GLY 3 HA1 GLY 3 55.887 3.995 0.276 21 HA3 GLY 3 HA2 GLY 3 54.613 2.707 0.465 22 H ARG 4 HN ARG 4 54.189 2.004 2.247 23 HA ARG 4 HA ARG 4 52.379 3.591 1.961 24 HB2 ARG 4 HB2 ARG 4 52.484 1.684 4.349 25 HB3 ARG 4 HB1 ARG 4 50.993 2.459 3.752 26 HG2 ARG 4 HG2 ARG 4 51.412 1.471 1.496 27 HG3 ARG 4 HG1 ARG 4 52.844 0.639 2.147 28 HD2 ARG 4 HD2 ARG 4 49.994 0.293 3.178 29 HD3 ARG 4 HD1 ARG 4 50.842 -0.848 2.108 30 HE ARG 4 HE ARG 4 52.485 -0.437 4.390 31 HH11 ARG 4 HH11 ARG 4 51.283 -0.920 6.526 32 HH12 ARG 4 HH12 ARG 4 50.424 -2.423 6.491 33 HH21 ARG 4 HH21 ARG 4 50.563 -2.728 3.040 34 HH22 ARG 4 HH22 ARG 4 50.017 -3.447 4.518 35 H TRP 5 HN TRP 5 54.890 4.077 3.848 36 HA TRP 5 HA TRP 5 54.355 5.249 6.291 37 HB2 TRP 5 HB2 TRP 5 56.592 5.191 5.226 38 HB3 TRP 5 HB1 TRP 5 56.090 6.496 4.125 39 HD1 TRP 5 HD1 TRP 5 55.793 6.044 7.981 40 HE1 TRP 5 HE1 TRP 5 56.643 8.207 9.143 41 HE3 TRP 5 HE3 TRP 5 57.141 8.715 3.826 42 HZ2 TRP 5 HZ2 TRP 5 57.757 10.739 8.347 43 HZ3 TRP 5 HZ3 TRP 5 58.098 11.003 4.053 44 HH2 TRP 5 HH2 TRP 5 58.406 12.016 6.307 45 H LEU 6 HN LEU 6 53.193 6.347 3.211 46 HA LEU 6 HA LEU 6 52.196 8.918 4.421 47 HB2 LEU 6 HB2 LEU 6 52.260 8.145 1.482 48 HB3 LEU 6 HB1 LEU 6 52.002 9.757 2.186 49 HG LEU 6 HG LEU 6 54.572 8.125 2.424 50 HD11 LEU 6 HD11 LEU 6 55.509 9.733 0.841 51 HD12 LEU 6 HD12 LEU 6 53.972 10.630 0.792 52 HD13 LEU 6 HD13 LEU 6 54.064 8.985 0.120 53 HD21 LEU 6 HD21 LEU 6 53.701 10.869 3.425 54 HD22 LEU 6 HD22 LEU 6 55.420 10.473 3.175 55 HD23 LEU 6 HD23 LEU 6 54.455 9.541 4.340 56 H GLU 7 HN GLU 7 51.253 5.786 3.076 57 HA GLU 7 HA GLU 7 48.430 6.656 2.745 58 HB2 GLU 7 HB2 GLU 7 49.919 4.037 2.353 59 HB3 GLU 7 HB1 GLU 7 48.148 4.145 2.241 60 HG2 GLU 7 HG2 GLU 7 49.239 4.372 0.011 61 HG3 GLU 7 HG1 GLU 7 48.342 5.841 0.465 62 H ARG 8 HN ARG 8 49.741 6.817 5.409 63 HA ARG 8 HA ARG 8 48.438 4.647 6.963 64 HB2 ARG 8 HB2 ARG 8 49.838 7.117 8.048 65 HB3 ARG 8 HB1 ARG 8 49.572 5.554 8.855 66 HG2 ARG 8 HG2 ARG 8 51.373 6.086 6.454 67 HG3 ARG 8 HG1 ARG 8 51.894 5.680 8.105 68 HD2 ARG 8 HD2 ARG 8 50.504 3.909 6.070 69 HD3 ARG 8 HD1 ARG 8 52.017 3.610 6.957 70 HE ARG 8 HE ARG 8 50.071 3.793 8.944 71 HH11 ARG 8 HH11 ARG 8 49.506 2.380 5.940 72 HH12 ARG 8 HH12 ARG 8 49.121 0.809 6.561 73 HH21 ARG 8 HH21 ARG 8 50.022 1.581 9.818 74 HH22 ARG 8 HH22 ARG 8 49.412 0.358 8.754 75 H ILE 9 HN ILE 9 48.009 8.077 6.185 76 HA ILE 9 HA ILE 9 45.223 7.958 6.987 77 HB ILE 9 HB ILE 9 46.222 8.170 9.243 78 HG12 ILE 9 HG12 ILE 9 45.052 10.119 10.044 79 HG13 ILE 9 HG11 ILE 9 45.138 10.918 8.465 80 HG21 ILE 9 HG21 ILE 9 47.491 10.728 8.183 81 HG22 ILE 9 HG22 ILE 9 48.359 9.195 8.445 82 HG23 ILE 9 HG23 ILE 9 47.644 10.063 9.827 83 HD11 ILE 9 HD1 ILE 9 42.890 9.781 9.160 84 HD12 ILE 9 HD2 ILE 9 43.718 8.250 8.792 85 HD13 ILE 9 HD3 ILE 9 43.500 9.475 7.520 86 H GLY 10 HN GLY 10 47.830 9.150 5.320 87 HA2 GLY 10 HA1 GLY 10 47.628 11.808 4.817 88 HA3 GLY 10 HA2 GLY 10 47.806 10.628 3.505 89 H LYS 11 HN LYS 11 45.103 9.469 4.113 90 HA LYS 11 HA LYS 11 43.591 10.923 2.215 91 HB2 LYS 11 HB2 LYS 11 42.618 9.191 4.525 92 HB3 LYS 11 HB1 LYS 11 41.627 9.701 3.136 93 HG2 LYS 11 HG2 LYS 11 43.301 8.602 1.610 94 HG3 LYS 11 HG1 LYS 11 44.145 7.982 3.050 95 HD2 LYS 11 HD2 LYS 11 42.171 6.736 3.743 96 HD3 LYS 11 HD1 LYS 11 41.204 7.461 2.435 97 HE2 LYS 11 HE2 LYS 11 41.923 5.201 1.785 98 HE3 LYS 11 HE1 LYS 11 42.728 6.412 0.759 99 HZ1 LYS 11 HZ1 LYS 11 44.696 5.738 1.489 100 HZ2 LYS 11 HZ2 LYS 11 43.932 4.462 2.311 101 HZ3 LYS 11 HZ3 LYS 11 44.241 5.928 3.112 102 H ALA 12 HN ALA 12 43.180 13.050 2.375 103 HA ALA 12 HA ALA 12 42.849 14.395 4.906 104 HB1 ALA 12 HB1 ALA 12 41.898 15.333 2.182 105 HB2 ALA 12 HB2 ALA 12 43.590 15.430 2.727 106 HB3 ALA 12 HB3 ALA 12 42.323 16.333 3.592 107 H GLY 13 HN GLY 13 40.909 12.130 3.605 108 HA2 GLY 13 HA1 GLY 13 38.644 11.652 3.720 109 HA3 GLY 13 HA2 GLY 13 38.738 12.476 5.289 110 H PHE 14 HN PHE 14 39.566 14.451 2.634 111 HA PHE 14 HA PHE 14 36.764 15.480 2.322 112 HB2 PHE 14 HB2 PHE 14 37.942 16.833 4.084 113 HB3 PHE 14 HB1 PHE 14 39.189 17.241 2.880 114 HD1 PHE 14 HD1 PHE 14 38.811 18.971 1.268 115 HD2 PHE 14 HD2 PHE 14 35.511 17.440 3.593 116 HE1 PHE 14 HE1 PHE 14 37.351 20.790 0.393 117 HE2 PHE 14 HE2 PHE 14 34.051 19.260 2.717 118 HZ PHE 14 HZ PHE 14 34.962 20.914 1.091 119 H ILE 15 HN ILE 15 39.620 14.361 1.071 120 HA ILE 15 HA ILE 15 38.916 15.349 -1.641 121 HB ILE 15 HB ILE 15 41.836 15.467 -0.787 122 HG12 ILE 15 HG12 ILE 15 39.751 17.679 -0.493 123 HG13 ILE 15 HG11 ILE 15 40.677 16.911 0.817 124 HG21 ILE 15 HG21 ILE 15 40.334 17.161 -2.825 125 HG22 ILE 15 HG22 ILE 15 40.976 15.555 -3.232 126 HG23 ILE 15 HG23 ILE 15 42.082 16.847 -2.719 127 HD11 ILE 15 HD1 ILE 15 41.837 18.942 0.387 128 HD12 ILE 15 HD2 ILE 15 41.683 18.756 -1.376 129 HD13 ILE 15 HD3 ILE 15 42.793 17.704 -0.463 130 H ILE 16 HN ILE 16 41.797 14.286 -2.269 131 HA ILE 16 HA ILE 16 42.452 12.266 -3.254 132 HB ILE 16 HB ILE 16 41.684 11.356 -0.454 133 HG12 ILE 16 HG12 ILE 16 43.233 13.233 -0.372 134 HG13 ILE 16 HG11 ILE 16 44.105 11.750 0.058 135 HG21 ILE 16 HG21 ILE 16 43.155 9.998 -2.723 136 HG22 ILE 16 HG22 ILE 16 42.058 9.309 -1.508 137 HG23 ILE 16 HG23 ILE 16 43.730 9.711 -1.063 138 HD11 ILE 16 HD1 ILE 16 44.314 13.432 -2.454 139 HD12 ILE 16 HD2 ILE 16 44.713 11.701 -2.529 140 HD13 ILE 16 HD3 ILE 16 45.608 12.770 -1.431 141 H ILE 17 HN ILE 17 40.191 10.606 -1.077 142 HA ILE 17 HA ILE 17 39.242 8.863 -3.080 143 HB ILE 17 HB ILE 17 37.261 8.488 -1.503 144 HG12 ILE 17 HG12 ILE 17 37.568 9.538 0.788 145 HG13 ILE 17 HG11 ILE 17 38.777 10.629 0.075 146 HG21 ILE 17 HG21 ILE 17 40.091 8.441 -0.365 147 HG22 ILE 17 HG22 ILE 17 39.332 7.173 -1.358 148 HG23 ILE 17 HG23 ILE 17 38.711 7.517 0.275 149 HD11 ILE 17 HD1 ILE 17 36.038 10.465 -1.218 150 HD12 ILE 17 HD2 ILE 17 37.171 11.834 -1.138 151 HD13 ILE 17 HD3 ILE 17 36.221 11.383 0.292 152 H GLY 18 HN GLY 18 38.764 12.153 -3.069 153 HA2 GLY 18 HA1 GLY 18 36.247 11.855 -4.694 154 HA3 GLY 18 HA2 GLY 18 36.426 13.141 -3.485 155 H GLY 19 HN GLY 19 38.399 14.568 -3.763 156 HA2 GLY 19 HA1 GLY 19 38.245 15.915 -6.205 157 HA3 GLY 19 HA2 GLY 19 39.619 16.019 -5.093 158 H ALA 20 HN ALA 20 40.100 13.032 -5.439 159 HA ALA 20 HA ALA 20 42.150 13.172 -7.353 160 HB1 ALA 20 HB1 ALA 20 40.466 10.796 -6.496 161 HB2 ALA 20 HB2 ALA 20 42.025 11.323 -5.814 162 HB3 ALA 20 HB3 ALA 20 41.951 10.671 -7.468 163 H LEU 21 HN LEU 21 38.797 13.291 -7.894 164 HA LEU 21 HA LEU 21 38.299 11.902 -10.234 165 HB2 LEU 21 HB2 LEU 21 36.594 13.250 -9.158 166 HB3 LEU 21 HB1 LEU 21 37.498 14.743 -9.488 167 HG LEU 21 HG LEU 21 37.133 14.503 -11.891 168 HD11 LEU 21 HD11 LEU 21 37.248 12.165 -12.316 169 HD12 LEU 21 HD12 LEU 21 35.545 12.564 -12.620 170 HD13 LEU 21 HD13 LEU 21 36.016 11.788 -11.089 171 HD21 LEU 21 HD21 LEU 21 34.729 14.810 -11.950 172 HD22 LEU 21 HD22 LEU 21 35.320 15.471 -10.407 173 HD23 LEU 21 HD23 LEU 21 34.522 13.880 -10.446 174 H ASP 22 HN ASP 22 39.194 11.780 -12.182 175 HA ASP 22 HA ASP 22 40.527 12.294 -14.003 176 HB2 ASP 22 HB2 ASP 22 39.531 15.087 -13.324 177 HB3 ASP 22 HB1 ASP 22 40.453 14.691 -14.793 178 H HIS 23 HN HIS 23 41.141 15.371 -12.303 179 HA HIS 23 HA HIS 23 43.726 14.479 -11.278 180 HB2 HIS 23 HB2 HIS 23 44.200 14.728 -13.734 181 HB3 HIS 23 HB1 HIS 23 43.745 16.443 -13.602 182 HD1 HIS 23 HD1 HIS 23 45.716 17.929 -13.311 183 HD2 HIS 23 HD2 HIS 23 46.269 14.208 -11.432 184 HE1 HIS 23 HE1 HIS 23 48.043 17.947 -12.254 185 H LEU 24 HN LEU 24 41.499 15.615 -10.058 186 HA LEU 24 HA LEU 24 42.468 18.406 -9.416 187 HB2 LEU 24 HB2 LEU 24 39.649 17.334 -9.030 188 HB3 LEU 24 HB1 LEU 24 40.207 19.021 -8.923 189 HG LEU 24 HG LEU 24 40.246 17.315 -11.456 190 HD11 LEU 24 HD11 LEU 24 37.954 17.889 -10.727 191 HD12 LEU 24 HD12 LEU 24 38.402 18.806 -12.185 192 HD13 LEU 24 HD13 LEU 24 38.419 19.601 -10.593 193 HD21 LEU 24 HD21 LEU 24 40.601 19.683 -12.470 194 HD22 LEU 24 HD22 LEU 24 41.989 18.938 -11.650 195 HD23 LEU 24 HD23 LEU 24 41.034 20.190 -10.819 Start of MODEL 98 1 H1 GLY 1 HT1 GLY 1 55.607 6.926 -3.086 2 H2 GLY 1 HT2 GLY 1 56.858 6.842 -4.231 3 H3 GLY 1 HT3 GLY 1 57.215 7.142 -2.597 4 HA2 GLY 1 HA1 GLY 1 56.583 4.676 -3.963 5 HA3 GLY 1 HA2 GLY 1 57.704 4.989 -2.623 6 H LYS 2 HN LYS 2 56.010 2.785 -2.635 7 HA LYS 2 HA LYS 2 53.536 3.269 -1.247 8 HB2 LYS 2 HB2 LYS 2 53.652 0.846 -0.699 9 HB3 LYS 2 HB1 LYS 2 53.977 1.164 -2.419 10 HG2 LYS 2 HG2 LYS 2 56.438 1.107 -1.919 11 HG3 LYS 2 HG1 LYS 2 56.052 0.654 -0.241 12 HD2 LYS 2 HD2 LYS 2 54.775 -1.330 -1.143 13 HD3 LYS 2 HD1 LYS 2 55.377 -0.915 -2.767 14 HE2 LYS 2 HE2 LYS 2 57.051 -1.643 -0.326 15 HE3 LYS 2 HE1 LYS 2 56.851 -2.603 -1.812 16 HZ1 LYS 2 HZ1 LYS 2 58.898 -1.422 -1.955 17 HZ2 LYS 2 HZ2 LYS 2 58.165 0.053 -1.544 18 HZ3 LYS 2 HZ3 LYS 2 57.819 -0.684 -3.035 19 H GLY 3 HN GLY 3 53.489 1.675 0.959 20 HA2 GLY 3 HA1 GLY 3 54.615 1.409 3.160 21 HA3 GLY 3 HA2 GLY 3 55.499 2.979 2.886 22 H ARG 4 HN ARG 4 54.532 4.487 2.038 23 HA ARG 4 HA ARG 4 54.425 5.135 4.372 24 HB2 ARG 4 HB2 ARG 4 53.438 7.003 2.161 25 HB3 ARG 4 HB1 ARG 4 53.968 7.539 3.776 26 HG2 ARG 4 HG2 ARG 4 56.184 6.521 3.413 27 HG3 ARG 4 HG1 ARG 4 55.664 5.924 1.817 28 HD2 ARG 4 HD2 ARG 4 55.863 8.846 2.672 29 HD3 ARG 4 HD1 ARG 4 56.953 8.000 1.548 30 HE ARG 4 HE ARG 4 54.246 7.773 0.612 31 HH11 ARG 4 HH11 ARG 4 56.594 8.539 -1.089 32 HH12 ARG 4 HH12 ARG 4 56.233 10.186 -1.484 33 HH21 ARG 4 HH21 ARG 4 53.866 10.546 1.025 34 HH22 ARG 4 HH22 ARG 4 54.689 11.323 -0.285 35 H TRP 5 HN TRP 5 51.968 3.956 2.739 36 HA TRP 5 HA TRP 5 49.515 5.139 3.218 37 HB2 TRP 5 HB2 TRP 5 49.869 2.867 2.230 38 HB3 TRP 5 HB1 TRP 5 50.116 2.231 3.875 39 HD1 TRP 5 HD1 TRP 5 48.018 2.050 5.457 40 HE1 TRP 5 HE1 TRP 5 45.451 2.140 5.050 41 HE3 TRP 5 HE3 TRP 5 48.020 4.010 0.728 42 HZ2 TRP 5 HZ2 TRP 5 43.670 2.959 2.941 43 HZ3 TRP 5 HZ3 TRP 5 45.875 4.436 -0.464 44 HH2 TRP 5 HH2 TRP 5 43.702 3.913 0.636 45 H LEU 6 HN LEU 6 51.774 4.066 5.621 46 HA LEU 6 HA LEU 6 49.753 4.458 7.810 47 HB2 LEU 6 HB2 LEU 6 51.096 2.276 7.614 48 HB3 LEU 6 HB1 LEU 6 52.525 3.240 8.038 49 HG LEU 6 HG LEU 6 51.044 4.063 10.081 50 HD11 LEU 6 HD11 LEU 6 48.912 3.066 9.459 51 HD12 LEU 6 HD12 LEU 6 49.526 2.199 10.880 52 HD13 LEU 6 HD13 LEU 6 49.661 1.464 9.268 53 HD21 LEU 6 HD21 LEU 6 53.091 2.712 10.308 54 HD22 LEU 6 HD22 LEU 6 52.175 1.234 9.923 55 HD23 LEU 6 HD23 LEU 6 51.838 2.125 11.427 56 H GLU 7 HN GLU 7 52.748 5.681 6.358 57 HA GLU 7 HA GLU 7 53.275 7.422 8.718 58 HB2 GLU 7 HB2 GLU 7 55.071 6.262 7.268 59 HB3 GLU 7 HB1 GLU 7 54.690 7.474 6.026 60 HG2 GLU 7 HG2 GLU 7 55.283 9.294 7.539 61 HG3 GLU 7 HG1 GLU 7 55.498 8.156 8.890 62 H ARG 8 HN ARG 8 51.185 7.415 6.140 63 HA ARG 8 HA ARG 8 51.416 10.273 5.431 64 HB2 ARG 8 HB2 ARG 8 50.700 8.494 3.802 65 HB3 ARG 8 HB1 ARG 8 49.215 8.281 4.760 66 HG2 ARG 8 HG2 ARG 8 48.544 10.578 4.358 67 HG3 ARG 8 HG1 ARG 8 50.102 10.949 3.583 68 HD2 ARG 8 HD2 ARG 8 48.190 8.820 2.542 69 HD3 ARG 8 HD1 ARG 8 48.179 10.505 1.972 70 HE ARG 8 HE ARG 8 50.848 9.553 1.766 71 HH11 ARG 8 HH11 ARG 8 50.998 7.452 0.417 72 HH12 ARG 8 HH12 ARG 8 50.135 7.554 -1.082 73 HH21 ARG 8 HH21 ARG 8 48.308 10.349 -0.144 74 HH22 ARG 8 HH22 ARG 8 48.612 9.195 -1.399 75 H ILE 9 HN ILE 9 49.806 11.850 5.813 76 HA ILE 9 HA ILE 9 48.851 11.962 8.475 77 HB ILE 9 HB ILE 9 47.319 13.806 7.598 78 HG12 ILE 9 HG12 ILE 9 48.697 13.110 4.960 79 HG13 ILE 9 HG11 ILE 9 47.004 12.731 5.339 80 HG21 ILE 9 HG21 ILE 9 50.187 13.996 6.580 81 HG22 ILE 9 HG22 ILE 9 49.754 14.113 8.302 82 HG23 ILE 9 HG23 ILE 9 49.146 15.322 7.150 83 HD11 ILE 9 HD1 ILE 9 46.868 14.774 4.145 84 HD12 ILE 9 HD2 ILE 9 48.296 15.451 4.959 85 HD13 ILE 9 HD3 ILE 9 46.762 15.284 5.846 86 H GLY 10 HN GLY 10 47.738 10.029 5.936 87 HA2 GLY 10 HA1 GLY 10 45.763 8.857 5.585 88 HA3 GLY 10 HA2 GLY 10 45.753 8.716 7.353 89 H LYS 11 HN LYS 11 45.500 11.783 5.644 90 HA LYS 11 HA LYS 11 42.552 11.867 5.961 91 HB2 LYS 11 HB2 LYS 11 44.458 13.667 7.513 92 HB3 LYS 11 HB1 LYS 11 42.743 14.056 7.245 93 HG2 LYS 11 HG2 LYS 11 42.166 11.806 8.284 94 HG3 LYS 11 HG1 LYS 11 43.883 11.652 8.730 95 HD2 LYS 11 HD2 LYS 11 43.759 13.756 10.011 96 HD3 LYS 11 HD1 LYS 11 42.052 13.952 9.543 97 HE2 LYS 11 HE2 LYS 11 43.179 11.597 11.121 98 HE3 LYS 11 HE1 LYS 11 42.284 12.967 11.821 99 HZ1 LYS 11 HZ1 LYS 11 40.636 12.201 9.856 100 HZ2 LYS 11 HZ2 LYS 11 40.526 11.640 11.456 101 HZ3 LYS 11 HZ3 LYS 11 41.316 10.705 10.277 102 H ALA 12 HN ALA 12 43.173 11.838 3.580 103 HA ALA 12 HA ALA 12 44.332 14.306 2.506 104 HB1 ALA 12 HB1 ALA 12 44.663 12.264 1.281 105 HB2 ALA 12 HB2 ALA 12 43.592 13.306 0.314 106 HB3 ALA 12 HB3 ALA 12 42.914 11.943 1.237 107 H GLY 13 HN GLY 13 42.336 15.110 4.176 108 HA2 GLY 13 HA1 GLY 13 40.343 16.292 4.263 109 HA3 GLY 13 HA2 GLY 13 40.818 16.869 2.652 110 H PHE 14 HN PHE 14 39.974 13.560 3.650 111 HA PHE 14 HA PHE 14 38.221 12.192 3.035 112 HB2 PHE 14 HB2 PHE 14 36.865 14.352 3.641 113 HB3 PHE 14 HB1 PHE 14 36.693 14.553 1.883 114 HD1 PHE 14 HD1 PHE 14 35.044 13.318 0.692 115 HD2 PHE 14 HD2 PHE 14 36.192 12.070 4.662 116 HE1 PHE 14 HE1 PHE 14 33.207 11.633 0.695 117 HE2 PHE 14 HE2 PHE 14 34.358 10.384 4.662 118 HZ PHE 14 HZ PHE 14 32.900 10.131 2.658 119 H ILE 15 HN ILE 15 40.286 12.083 1.436 120 HA ILE 15 HA ILE 15 40.954 11.480 -0.675 121 HB ILE 15 HB ILE 15 38.015 11.408 -1.460 122 HG12 ILE 15 HG12 ILE 15 38.129 10.162 0.589 123 HG13 ILE 15 HG11 ILE 15 38.138 8.962 -0.717 124 HG21 ILE 15 HG21 ILE 15 38.991 9.385 -2.831 125 HG22 ILE 15 HG22 ILE 15 40.563 10.161 -2.545 126 HG23 ILE 15 HG23 ILE 15 39.283 11.040 -3.403 127 HD11 ILE 15 HD1 ILE 15 39.837 8.250 0.797 128 HD12 ILE 15 HD2 ILE 15 40.465 9.900 1.001 129 HD13 ILE 15 HD3 ILE 15 40.723 9.031 -0.529 130 H ILE 16 HN ILE 16 41.774 13.650 -0.735 131 HA ILE 16 HA ILE 16 40.644 15.123 -3.090 132 HB ILE 16 HB ILE 16 41.696 16.427 -0.548 133 HG12 ILE 16 HG12 ILE 16 39.340 15.369 -0.392 134 HG13 ILE 16 HG11 ILE 16 39.491 17.080 0.037 135 HG21 ILE 16 HG21 ILE 16 40.784 18.517 -1.713 136 HG22 ILE 16 HG22 ILE 16 40.616 17.517 -3.177 137 HG23 ILE 16 HG23 ILE 16 42.220 17.782 -2.461 138 HD11 ILE 16 HD1 ILE 16 38.639 16.148 -2.740 139 HD12 ILE 16 HD2 ILE 16 38.544 17.787 -2.063 140 HD13 ILE 16 HD3 ILE 16 37.493 16.501 -1.433 141 H ILE 17 HN ILE 17 43.326 14.895 -0.717 142 HA ILE 17 HA ILE 17 45.289 15.869 -2.649 143 HB ILE 17 HB ILE 17 45.823 14.291 -0.092 144 HG12 ILE 17 HG12 ILE 17 44.396 16.085 0.604 145 HG13 ILE 17 HG11 ILE 17 46.046 16.617 0.973 146 HG21 ILE 17 HG21 ILE 17 47.474 16.123 -1.872 147 HG22 ILE 17 HG22 ILE 17 47.843 14.487 -1.297 148 HG23 ILE 17 HG23 ILE 17 47.914 15.857 -0.170 149 HD11 ILE 17 HD1 ILE 17 46.001 17.814 -1.317 150 HD12 ILE 17 HD2 ILE 17 44.974 18.497 -0.041 151 HD13 ILE 17 HD3 ILE 17 44.254 17.495 -1.320 152 H GLY 18 HN GLY 18 44.505 12.707 -1.159 153 HA2 GLY 18 HA1 GLY 18 46.402 11.256 -2.791 154 HA3 GLY 18 HA2 GLY 18 45.094 10.562 -1.809 155 H GLY 19 HN GLY 19 42.818 11.563 -2.845 156 HA2 GLY 19 HA1 GLY 19 42.492 10.001 -5.223 157 HA3 GLY 19 HA2 GLY 19 41.329 11.175 -4.574 158 H ALA 20 HN ALA 20 42.857 13.515 -4.687 159 HA ALA 20 HA ALA 20 43.529 15.176 -6.148 160 HB1 ALA 20 HB1 ALA 20 44.901 14.665 -7.977 161 HB2 ALA 20 HB2 ALA 20 44.047 13.146 -8.330 162 HB3 ALA 20 HB3 ALA 20 45.119 13.256 -6.915 163 H LEU 21 HN LEU 21 41.059 12.924 -6.856 164 HA LEU 21 HA LEU 21 39.091 13.132 -8.046 165 HB2 LEU 21 HB2 LEU 21 39.267 15.445 -6.805 166 HB3 LEU 21 HB1 LEU 21 39.651 16.092 -8.413 167 HG LEU 21 HG LEU 21 37.468 14.722 -9.150 168 HD11 LEU 21 HD11 LEU 21 37.001 15.213 -6.172 169 HD12 LEU 21 HD12 LEU 21 37.071 13.628 -6.979 170 HD13 LEU 21 HD13 LEU 21 35.745 14.754 -7.343 171 HD21 LEU 21 HD21 LEU 21 37.322 17.318 -7.550 172 HD22 LEU 21 HD22 LEU 21 36.097 16.739 -8.704 173 HD23 LEU 21 HD23 LEU 21 37.721 17.183 -9.279 174 H ASP 22 HN ASP 22 42.070 13.523 -9.341 175 HA ASP 22 HA ASP 22 41.379 14.480 -12.006 176 HB2 ASP 22 HB2 ASP 22 43.783 12.907 -10.992 177 HB3 ASP 22 HB1 ASP 22 43.649 13.663 -12.599 178 H HIS 23 HN HIS 23 39.543 13.194 -12.539 179 HA HIS 23 HA HIS 23 38.501 11.385 -13.538 180 HB2 HIS 23 HB2 HIS 23 41.346 10.626 -14.321 181 HB3 HIS 23 HB1 HIS 23 39.852 9.999 -15.057 182 HD1 HIS 23 HD1 HIS 23 42.273 12.002 -16.244 183 HD2 HIS 23 HD2 HIS 23 38.235 12.856 -15.434 184 HE1 HIS 23 HE1 HIS 23 41.638 14.057 -17.622 185 H LEU 24 HN LEU 24 40.246 11.134 -10.825 186 HA LEU 24 HA LEU 24 39.528 8.231 -10.458 187 HB2 LEU 24 HB2 LEU 24 42.036 9.614 -9.421 188 HB3 LEU 24 HB1 LEU 24 41.559 7.935 -9.097 189 HG LEU 24 HG LEU 24 41.980 9.003 -11.921 190 HD11 LEU 24 HD11 LEU 24 43.980 7.586 -10.108 191 HD12 LEU 24 HD12 LEU 24 44.073 9.283 -10.636 192 HD13 LEU 24 HD13 LEU 24 44.231 7.971 -11.827 193 HD21 LEU 24 HD21 LEU 24 40.748 6.945 -11.960 194 HD22 LEU 24 HD22 LEU 24 41.744 6.232 -10.670 195 HD23 LEU 24 HD23 LEU 24 42.432 6.486 -12.290 Start of MODEL 99 1 H1 GLY 1 HT1 GLY 1 61.429 0.970 7.075 2 H2 GLY 1 HT2 GLY 1 60.118 0.334 6.201 3 H3 GLY 1 HT3 GLY 1 60.176 0.173 7.892 4 HA2 GLY 1 HA1 GLY 1 59.480 2.219 8.288 5 HA3 GLY 1 HA2 GLY 1 60.333 2.860 6.870 6 H LYS 2 HN LYS 2 58.825 0.225 5.694 7 HA LYS 2 HA LYS 2 56.932 1.664 4.159 8 HB2 LYS 2 HB2 LYS 2 55.879 -0.631 3.800 9 HB3 LYS 2 HB1 LYS 2 57.618 -0.519 3.437 10 HG2 LYS 2 HG2 LYS 2 58.200 -1.520 5.568 11 HG3 LYS 2 HG1 LYS 2 56.507 -1.457 6.115 12 HD2 LYS 2 HD2 LYS 2 55.841 -3.044 4.374 13 HD3 LYS 2 HD1 LYS 2 57.490 -3.044 3.703 14 HE2 LYS 2 HE2 LYS 2 57.191 -5.025 5.114 15 HE3 LYS 2 HE1 LYS 2 58.340 -3.913 5.894 16 HZ1 LYS 2 HZ1 LYS 2 56.984 -3.689 7.621 17 HZ2 LYS 2 HZ2 LYS 2 56.019 -4.934 6.980 18 HZ3 LYS 2 HZ3 LYS 2 55.657 -3.309 6.634 19 H GLY 3 HN GLY 3 54.509 1.160 4.160 20 HA2 GLY 3 HA1 GLY 3 52.528 0.659 5.634 21 HA3 GLY 3 HA2 GLY 3 53.440 1.390 7.034 22 H ARG 4 HN ARG 4 54.602 2.974 6.671 23 HA ARG 4 HA ARG 4 52.654 4.034 7.650 24 HB2 ARG 4 HB2 ARG 4 55.192 5.607 6.995 25 HB3 ARG 4 HB1 ARG 4 53.968 6.135 8.179 26 HG2 ARG 4 HG2 ARG 4 54.270 4.041 9.451 27 HG3 ARG 4 HG1 ARG 4 55.458 3.470 8.255 28 HD2 ARG 4 HD2 ARG 4 56.736 4.377 10.073 29 HD3 ARG 4 HD1 ARG 4 56.803 5.593 8.774 30 HE ARG 4 HE ARG 4 54.575 6.201 10.450 31 HH11 ARG 4 HH11 ARG 4 55.359 6.407 12.852 32 HH12 ARG 4 HH12 ARG 4 56.697 7.495 13.007 33 HH21 ARG 4 HH21 ARG 4 57.456 7.462 9.623 34 HH22 ARG 4 HH22 ARG 4 57.884 8.094 11.177 35 H TRP 5 HN TRP 5 53.349 4.095 4.544 36 HA TRP 5 HA TRP 5 52.846 6.537 3.294 37 HB2 TRP 5 HB2 TRP 5 51.651 3.826 2.606 38 HB3 TRP 5 HB1 TRP 5 51.624 5.235 1.518 39 HD1 TRP 5 HD1 TRP 5 54.318 6.398 1.421 40 HE1 TRP 5 HE1 TRP 5 56.489 5.117 0.781 41 HE3 TRP 5 HE3 TRP 5 52.757 1.624 2.412 42 HZ2 TRP 5 HZ2 TRP 5 57.391 2.382 0.718 43 HZ3 TRP 5 HZ3 TRP 5 54.289 -0.305 2.053 44 HH2 TRP 5 HH2 TRP 5 56.603 0.068 1.209 45 H LEU 6 HN LEU 6 50.728 4.773 5.373 46 HA LEU 6 HA LEU 6 48.391 6.504 4.622 47 HB2 LEU 6 HB2 LEU 6 47.935 4.107 4.509 48 HB3 LEU 6 HB1 LEU 6 48.579 3.872 6.148 49 HG LEU 6 HG LEU 6 46.755 5.219 7.101 50 HD11 LEU 6 HD11 LEU 6 44.837 5.830 5.415 51 HD12 LEU 6 HD12 LEU 6 46.104 5.714 4.171 52 HD13 LEU 6 HD13 LEU 6 46.258 6.894 5.497 53 HD21 LEU 6 HD21 LEU 6 44.865 3.726 6.520 54 HD22 LEU 6 HD22 LEU 6 46.376 2.805 6.713 55 HD23 LEU 6 HD23 LEU 6 45.752 3.162 5.084 56 H GLU 7 HN GLU 7 50.748 5.716 7.145 57 HA GLU 7 HA GLU 7 49.172 7.197 9.200 58 HB2 GLU 7 HB2 GLU 7 51.926 5.905 9.324 59 HB3 GLU 7 HB1 GLU 7 51.025 6.581 10.701 60 HG2 GLU 7 HG2 GLU 7 49.152 4.968 10.171 61 HG3 GLU 7 HG1 GLU 7 50.210 4.223 8.947 62 H ARG 8 HN ARG 8 49.989 8.632 6.823 63 HA ARG 8 HA ARG 8 51.550 10.790 8.171 64 HB2 ARG 8 HB2 ARG 8 53.165 9.318 6.873 65 HB3 ARG 8 HB1 ARG 8 52.283 9.779 5.396 66 HG2 ARG 8 HG2 ARG 8 52.769 12.145 5.789 67 HG3 ARG 8 HG1 ARG 8 53.549 11.758 7.342 68 HD2 ARG 8 HD2 ARG 8 55.134 12.108 5.360 69 HD3 ARG 8 HD1 ARG 8 55.341 10.586 6.258 70 HE ARG 8 HE ARG 8 53.505 10.253 4.040 71 HH11 ARG 8 HH11 ARG 8 54.322 8.456 2.813 72 HH12 ARG 8 HH12 ARG 8 56.003 8.466 2.395 73 HH21 ARG 8 HH21 ARG 8 56.760 11.176 4.421 74 HH22 ARG 8 HH22 ARG 8 57.383 10.007 3.307 75 H ILE 9 HN ILE 9 49.636 9.608 5.421 76 HA ILE 9 HA ILE 9 48.237 12.226 5.317 77 HB ILE 9 HB ILE 9 48.488 12.123 2.705 78 HG12 ILE 9 HG12 ILE 9 51.155 10.800 3.376 79 HG13 ILE 9 HG11 ILE 9 49.737 9.794 3.017 80 HG21 ILE 9 HG21 ILE 9 49.439 13.902 4.175 81 HG22 ILE 9 HG22 ILE 9 50.509 13.532 2.805 82 HG23 ILE 9 HG23 ILE 9 50.890 12.904 4.424 83 HD11 ILE 9 HD1 ILE 9 49.457 11.061 0.849 84 HD12 ILE 9 HD2 ILE 9 50.973 10.139 0.954 85 HD13 ILE 9 HD3 ILE 9 50.988 11.899 1.197 86 H GLY 10 HN GLY 10 48.064 10.276 2.490 87 HA2 GLY 10 HA1 GLY 10 46.431 8.838 1.704 88 HA3 GLY 10 HA2 GLY 10 46.178 8.311 3.380 89 H LYS 11 HN LYS 11 44.065 8.330 3.716 90 HA LYS 11 HA LYS 11 41.974 9.227 4.120 91 HB2 LYS 11 HB2 LYS 11 43.400 11.324 4.762 92 HB3 LYS 11 HB1 LYS 11 42.880 11.972 3.190 93 HG2 LYS 11 HG2 LYS 11 40.492 11.525 3.858 94 HG3 LYS 11 HG1 LYS 11 41.078 11.056 5.472 95 HD2 LYS 11 HD2 LYS 11 42.164 13.309 5.684 96 HD3 LYS 11 HD1 LYS 11 41.434 13.770 4.127 97 HE2 LYS 11 HE2 LYS 11 40.054 14.555 6.036 98 HE3 LYS 11 HE1 LYS 11 39.177 13.358 5.052 99 HZ1 LYS 11 HZ1 LYS 11 40.748 12.606 7.456 100 HZ2 LYS 11 HZ2 LYS 11 39.585 11.684 6.630 101 HZ3 LYS 11 HZ3 LYS 11 39.110 13.037 7.542 102 H ALA 12 HN ALA 12 43.627 10.210 1.132 103 HA ALA 12 HA ALA 12 41.385 9.245 -0.454 104 HB1 ALA 12 HB1 ALA 12 41.131 11.530 -1.613 105 HB2 ALA 12 HB2 ALA 12 41.921 12.215 -0.175 106 HB3 ALA 12 HB3 ALA 12 40.375 11.351 -0.013 107 H GLY 13 HN GLY 13 44.479 9.373 0.126 108 HA2 GLY 13 HA1 GLY 13 46.358 8.992 -1.171 109 HA3 GLY 13 HA2 GLY 13 45.276 8.722 -2.553 110 H PHE 14 HN PHE 14 46.463 11.395 -0.473 111 HA PHE 14 HA PHE 14 47.117 13.545 -1.021 112 HB2 PHE 14 HB2 PHE 14 48.817 12.297 -2.366 113 HB3 PHE 14 HB1 PHE 14 47.719 12.369 -3.765 114 HD1 PHE 14 HD1 PHE 14 49.328 14.593 -1.181 115 HD2 PHE 14 HD2 PHE 14 47.829 14.242 -5.216 116 HE1 PHE 14 HE1 PHE 14 50.154 16.888 -1.691 117 HE2 PHE 14 HE2 PHE 14 48.654 16.536 -5.722 118 HZ PHE 14 HZ PHE 14 49.761 17.883 -3.941 119 H ILE 15 HN ILE 15 44.341 12.711 -1.384 120 HA ILE 15 HA ILE 15 42.390 13.595 -2.204 121 HB ILE 15 HB ILE 15 44.004 15.931 -3.305 122 HG12 ILE 15 HG12 ILE 15 43.029 15.428 -0.454 123 HG13 ILE 15 HG11 ILE 15 44.723 15.546 -0.984 124 HG21 ILE 15 HG21 ILE 15 41.968 17.168 -3.037 125 HG22 ILE 15 HG22 ILE 15 41.228 15.881 -2.053 126 HG23 ILE 15 HG23 ILE 15 41.500 15.631 -3.793 127 HD11 ILE 15 HD1 ILE 15 44.248 17.700 -0.111 128 HD12 ILE 15 HD2 ILE 15 42.627 17.737 -0.843 129 HD13 ILE 15 HD3 ILE 15 44.072 17.910 -1.871 130 H ILE 16 HN ILE 16 42.934 11.667 -3.603 131 HA ILE 16 HA ILE 16 42.720 12.542 -6.480 132 HB ILE 16 HB ILE 16 44.205 10.144 -5.340 133 HG12 ILE 16 HG12 ILE 16 45.293 12.522 -5.238 134 HG13 ILE 16 HG11 ILE 16 46.244 11.190 -5.917 135 HG21 ILE 16 HG21 ILE 16 44.889 9.825 -7.784 136 HG22 ILE 16 HG22 ILE 16 43.629 11.009 -8.206 137 HG23 ILE 16 HG23 ILE 16 43.185 9.479 -7.422 138 HD11 ILE 16 HD1 ILE 16 46.312 13.374 -7.233 139 HD12 ILE 16 HD2 ILE 16 44.611 13.096 -7.652 140 HD13 ILE 16 HD3 ILE 16 45.853 11.940 -8.174 141 H ILE 17 HN ILE 17 42.287 9.798 -4.184 142 HA ILE 17 HA ILE 17 40.218 8.566 -5.817 143 HB ILE 17 HB ILE 17 40.681 8.242 -2.816 144 HG12 ILE 17 HG12 ILE 17 42.804 7.803 -3.849 145 HG13 ILE 17 HG11 ILE 17 42.077 6.219 -3.529 146 HG21 ILE 17 HG21 ILE 17 39.158 6.669 -4.923 147 HG22 ILE 17 HG22 ILE 17 38.633 7.196 -3.312 148 HG23 ILE 17 HG23 ILE 17 39.785 5.854 -3.472 149 HD11 ILE 17 HD1 ILE 17 41.187 6.352 -5.973 150 HD12 ILE 17 HD2 ILE 17 42.923 6.050 -5.744 151 HD13 ILE 17 HD3 ILE 17 42.353 7.676 -6.178 152 H GLY 18 HN GLY 18 40.291 10.645 -2.932 153 HA2 GLY 18 HA1 GLY 18 37.391 10.798 -2.737 154 HA3 GLY 18 HA2 GLY 18 38.575 11.796 -1.865 155 H GLY 19 HN GLY 19 40.008 12.978 -3.868 156 HA2 GLY 19 HA1 GLY 19 38.302 15.126 -4.638 157 HA3 GLY 19 HA2 GLY 19 39.907 14.786 -5.313 158 H ALA 20 HN ALA 20 39.476 12.282 -6.451 159 HA ALA 20 HA ALA 20 38.631 11.267 -8.344 160 HB1 ALA 20 HB1 ALA 20 36.408 11.811 -7.118 161 HB2 ALA 20 HB2 ALA 20 36.344 11.419 -8.852 162 HB3 ALA 20 HB3 ALA 20 36.232 13.112 -8.317 163 H LEU 21 HN LEU 21 39.159 14.652 -8.137 164 HA LEU 21 HA LEU 21 39.612 16.263 -9.753 165 HB2 LEU 21 HB2 LEU 21 40.825 13.729 -10.896 166 HB3 LEU 21 HB1 LEU 21 41.004 15.285 -11.728 167 HG LEU 21 HG LEU 21 42.906 14.615 -10.150 168 HD11 LEU 21 HD11 LEU 21 41.646 17.238 -9.259 169 HD12 LEU 21 HD12 LEU 21 42.278 17.031 -10.906 170 HD13 LEU 21 HD13 LEU 21 43.359 16.844 -9.510 171 HD21 LEU 21 HD21 LEU 21 42.600 14.821 -7.769 172 HD22 LEU 21 HD22 LEU 21 41.324 13.735 -8.365 173 HD23 LEU 21 HD23 LEU 21 40.937 15.424 -7.965 174 H ASP 22 HN ASP 22 37.246 16.460 -10.090 175 HA ASP 22 HA ASP 22 36.679 16.472 -12.920 176 HB2 ASP 22 HB2 ASP 22 36.345 14.059 -12.578 177 HB3 ASP 22 HB1 ASP 22 35.206 14.392 -11.251 178 H HIS 23 HN HIS 23 33.875 15.650 -11.169 179 HA HIS 23 HA HIS 23 32.743 18.256 -11.424 180 HB2 HIS 23 HB2 HIS 23 31.038 17.324 -9.731 181 HB3 HIS 23 HB1 HIS 23 31.246 16.414 -11.246 182 HD1 HIS 23 HD1 HIS 23 31.787 13.986 -11.032 183 HD2 HIS 23 HD2 HIS 23 32.633 16.122 -7.509 184 HE1 HIS 23 HE1 HIS 23 32.545 12.290 -9.276 185 H LEU 24 HN LEU 24 34.704 16.755 -8.935 186 HA LEU 24 HA LEU 24 35.447 17.538 -6.882 187 HB2 LEU 24 HB2 LEU 24 36.756 18.994 -8.287 188 HB3 LEU 24 HB1 LEU 24 35.376 20.084 -8.547 189 HG LEU 24 HG LEU 24 35.433 20.834 -6.243 190 HD11 LEU 24 HD11 LEU 24 37.318 19.895 -4.726 191 HD12 LEU 24 HD12 LEU 24 37.400 18.541 -5.879 192 HD13 LEU 24 HD13 LEU 24 35.895 18.860 -4.985 193 HD21 LEU 24 HD21 LEU 24 37.109 21.803 -7.839 194 HD22 LEU 24 HD22 LEU 24 38.301 20.615 -7.260 195 HD23 LEU 24 HD23 LEU 24 37.660 21.847 -6.148 Start of MODEL 100 1 H1 GLY 1 HT1 GLY 1 60.674 3.869 11.428 2 H2 GLY 1 HT2 GLY 1 60.992 2.428 12.270 3 H3 GLY 1 HT3 GLY 1 60.562 3.836 13.119 4 HA2 GLY 1 HA1 GLY 1 58.834 2.026 12.747 5 HA3 GLY 1 HA2 GLY 1 58.398 3.733 12.541 6 H LYS 2 HN LYS 2 58.858 4.605 10.248 7 HA LYS 2 HA LYS 2 58.128 4.530 8.045 8 HB2 LYS 2 HB2 LYS 2 59.181 1.682 7.964 9 HB3 LYS 2 HB1 LYS 2 59.164 2.899 6.665 10 HG2 LYS 2 HG2 LYS 2 60.832 3.001 9.219 11 HG3 LYS 2 HG1 LYS 2 61.432 2.683 7.573 12 HD2 LYS 2 HD2 LYS 2 60.420 4.978 6.938 13 HD3 LYS 2 HD1 LYS 2 60.275 5.268 8.689 14 HE2 LYS 2 HE2 LYS 2 62.832 4.669 7.144 15 HE3 LYS 2 HE1 LYS 2 62.389 6.206 7.925 16 HZ1 LYS 2 HZ1 LYS 2 63.923 4.765 9.238 17 HZ2 LYS 2 HZ2 LYS 2 62.666 3.632 9.390 18 HZ3 LYS 2 HZ3 LYS 2 62.497 5.188 10.053 19 H GLY 3 HN GLY 3 57.412 2.096 6.558 20 HA2 GLY 3 HA1 GLY 3 55.604 0.351 6.821 21 HA3 GLY 3 HA2 GLY 3 54.674 1.534 7.844 22 H ARG 4 HN ARG 4 54.679 3.441 7.399 23 HA ARG 4 HA ARG 4 52.564 2.777 6.428 24 HB2 ARG 4 HB2 ARG 4 53.434 5.704 6.532 25 HB3 ARG 4 HB1 ARG 4 51.742 5.173 6.360 26 HG2 ARG 4 HG2 ARG 4 51.819 3.999 8.481 27 HG3 ARG 4 HG1 ARG 4 53.575 4.260 8.620 28 HD2 ARG 4 HD2 ARG 4 51.502 6.495 8.529 29 HD3 ARG 4 HD1 ARG 4 52.227 5.853 10.022 30 HE ARG 4 HE ARG 4 54.335 6.601 8.248 31 HH11 ARG 4 HH11 ARG 4 51.598 8.147 9.613 32 HH12 ARG 4 HH12 ARG 4 52.467 9.561 10.109 33 HH21 ARG 4 HH21 ARG 4 55.553 8.345 9.100 34 HH22 ARG 4 HH22 ARG 4 54.705 9.675 9.817 35 H TRP 5 HN TRP 5 55.195 3.434 4.738 36 HA TRP 5 HA TRP 5 54.676 4.814 2.366 37 HB2 TRP 5 HB2 TRP 5 56.822 3.634 2.956 38 HB3 TRP 5 HB1 TRP 5 56.060 2.103 2.459 39 HD1 TRP 5 HD1 TRP 5 56.189 1.520 -0.019 40 HE1 TRP 5 HE1 TRP 5 56.842 2.754 -2.214 41 HE3 TRP 5 HE3 TRP 5 56.756 6.253 1.852 42 HZ2 TRP 5 HZ2 TRP 5 57.515 5.438 -3.014 43 HZ3 TRP 5 HZ3 TRP 5 57.405 8.134 0.355 44 HH2 TRP 5 HH2 TRP 5 57.783 7.731 -2.075 45 H LEU 6 HN LEU 6 53.070 2.008 3.521 46 HA LEU 6 HA LEU 6 51.602 1.751 0.908 47 HB2 LEU 6 HB2 LEU 6 52.320 -0.539 2.778 48 HB3 LEU 6 HB1 LEU 6 51.481 -0.655 1.217 49 HG LEU 6 HG LEU 6 54.305 0.468 1.520 50 HD11 LEU 6 HD11 LEU 6 53.438 -2.344 0.718 51 HD12 LEU 6 HD12 LEU 6 54.197 -1.905 2.266 52 HD13 LEU 6 HD13 LEU 6 55.107 -1.725 0.746 53 HD21 LEU 6 HD21 LEU 6 54.329 -0.220 -0.972 54 HD22 LEU 6 HD22 LEU 6 53.336 1.191 -0.555 55 HD23 LEU 6 HD23 LEU 6 52.564 -0.388 -0.834 56 H GLU 7 HN GLU 7 51.455 2.519 4.228 57 HA GLU 7 HA GLU 7 48.787 1.299 4.654 58 HB2 GLU 7 HB2 GLU 7 50.507 1.596 6.484 59 HB3 GLU 7 HB1 GLU 7 50.254 3.351 6.355 60 HG2 GLU 7 HG2 GLU 7 47.938 3.153 7.000 61 HG3 GLU 7 HG1 GLU 7 47.987 1.378 6.860 62 H ARG 8 HN ARG 8 50.068 4.031 3.116 63 HA ARG 8 HA ARG 8 49.076 5.921 2.227 64 HB2 ARG 8 HB2 ARG 8 47.365 4.096 1.562 65 HB3 ARG 8 HB1 ARG 8 46.377 4.703 2.909 66 HG2 ARG 8 HG2 ARG 8 45.538 6.026 1.173 67 HG3 ARG 8 HG1 ARG 8 46.842 7.084 1.755 68 HD2 ARG 8 HD2 ARG 8 48.342 5.882 0.003 69 HD3 ARG 8 HD1 ARG 8 46.818 5.273 -0.686 70 HE ARG 8 HE ARG 8 46.773 8.159 -0.285 71 HH11 ARG 8 HH11 ARG 8 46.118 9.088 -2.302 72 HH12 ARG 8 HH12 ARG 8 46.874 8.502 -3.746 73 HH21 ARG 8 HH21 ARG 8 48.488 5.878 -2.153 74 HH22 ARG 8 HH22 ARG 8 48.215 6.685 -3.662 75 H ILE 9 HN ILE 9 48.817 7.916 3.002 76 HA ILE 9 HA ILE 9 48.575 8.362 5.814 77 HB ILE 9 HB ILE 9 48.247 10.773 5.174 78 HG12 ILE 9 HG12 ILE 9 48.214 9.575 2.364 79 HG13 ILE 9 HG11 ILE 9 46.876 10.434 3.164 80 HG21 ILE 9 HG21 ILE 9 50.453 11.057 4.271 81 HG22 ILE 9 HG22 ILE 9 50.409 9.468 3.469 82 HG23 ILE 9 HG23 ILE 9 50.519 9.570 5.243 83 HD11 ILE 9 HD1 ILE 9 48.552 12.420 3.383 84 HD12 ILE 9 HD2 ILE 9 47.863 12.086 1.778 85 HD13 ILE 9 HD3 ILE 9 49.515 11.553 2.163 86 H GLY 10 HN GLY 10 46.209 7.949 3.290 87 HA2 GLY 10 HA1 GLY 10 43.898 8.041 3.325 88 HA3 GLY 10 HA2 GLY 10 44.041 7.592 5.036 89 H LYS 11 HN LYS 11 44.647 10.494 2.999 90 HA LYS 11 HA LYS 11 42.621 12.037 4.372 91 HB2 LYS 11 HB2 LYS 11 44.502 11.844 6.115 92 HB3 LYS 11 HB1 LYS 11 45.475 12.858 5.025 93 HG2 LYS 11 HG2 LYS 11 43.686 14.600 5.084 94 HG3 LYS 11 HG1 LYS 11 42.768 13.590 6.228 95 HD2 LYS 11 HD2 LYS 11 44.833 13.627 7.736 96 HD3 LYS 11 HD1 LYS 11 45.495 14.877 6.655 97 HE2 LYS 11 HE2 LYS 11 42.979 15.013 8.356 98 HE3 LYS 11 HE1 LYS 11 44.409 16.069 8.424 99 HZ1 LYS 11 HZ1 LYS 11 42.123 16.173 6.667 100 HZ2 LYS 11 HZ2 LYS 11 43.607 16.292 5.847 101 HZ3 LYS 11 HZ3 LYS 11 43.227 17.391 7.087 102 H ALA 12 HN ALA 12 42.731 11.720 1.787 103 HA ALA 12 HA ALA 12 44.479 13.645 0.444 104 HB1 ALA 12 HB1 ALA 12 43.297 13.004 -1.558 105 HB2 ALA 12 HB2 ALA 12 41.978 12.282 -0.607 106 HB3 ALA 12 HB3 ALA 12 43.594 11.536 -0.598 107 H GLY 13 HN GLY 13 43.658 15.309 2.161 108 HA2 GLY 13 HA1 GLY 13 42.470 17.256 2.544 109 HA3 GLY 13 HA2 GLY 13 42.226 17.310 0.788 110 H PHE 14 HN PHE 14 41.056 15.241 3.483 111 HA PHE 14 HA PHE 14 38.904 14.579 4.029 112 HB2 PHE 14 HB2 PHE 14 37.964 17.122 2.657 113 HB3 PHE 14 HB1 PHE 14 37.170 16.231 3.976 114 HD1 PHE 14 HD1 PHE 14 38.577 15.904 6.174 115 HD2 PHE 14 HD2 PHE 14 39.414 18.922 3.200 116 HE1 PHE 14 HE1 PHE 14 39.856 17.216 7.863 117 HE2 PHE 14 HE2 PHE 14 40.691 20.232 4.891 118 HZ PHE 14 HZ PHE 14 40.933 19.367 7.215 119 H ILE 15 HN ILE 15 40.043 13.651 1.561 120 HA ILE 15 HA ILE 15 39.391 12.473 -0.307 121 HB ILE 15 HB ILE 15 36.508 12.735 0.631 122 HG12 ILE 15 HG12 ILE 15 38.690 10.830 1.599 123 HG13 ILE 15 HG11 ILE 15 37.846 12.056 2.574 124 HG21 ILE 15 HG21 ILE 15 36.183 10.672 -0.543 125 HG22 ILE 15 HG22 ILE 15 37.935 10.402 -0.705 126 HG23 ILE 15 HG23 ILE 15 37.144 11.698 -1.632 127 HD11 ILE 15 HD1 ILE 15 36.747 9.475 1.415 128 HD12 ILE 15 HD2 ILE 15 35.662 10.805 1.891 129 HD13 ILE 15 HD3 ILE 15 36.717 10.038 3.101 130 H ILE 16 HN ILE 16 40.022 14.769 -1.105 131 HA ILE 16 HA ILE 16 37.794 15.666 -2.910 132 HB ILE 16 HB ILE 16 38.196 17.283 -0.977 133 HG12 ILE 16 HG12 ILE 16 38.602 19.302 -2.674 134 HG13 ILE 16 HG11 ILE 16 38.530 18.028 -3.911 135 HG21 ILE 16 HG21 ILE 16 40.746 16.825 -1.051 136 HG22 ILE 16 HG22 ILE 16 40.219 18.508 -0.812 137 HG23 ILE 16 HG23 ILE 16 40.776 17.970 -2.410 138 HD11 ILE 16 HD1 ILE 16 36.365 18.476 -1.801 139 HD12 ILE 16 HD2 ILE 16 36.279 17.402 -3.217 140 HD13 ILE 16 HD3 ILE 16 36.317 19.163 -3.440 141 H ILE 17 HN ILE 17 41.318 15.562 -2.246 142 HA ILE 17 HA ILE 17 41.962 16.072 -5.079 143 HB ILE 17 HB ILE 17 43.696 14.994 -2.802 144 HG12 ILE 17 HG12 ILE 17 43.002 17.257 -2.279 145 HG13 ILE 17 HG11 ILE 17 44.685 17.322 -2.823 146 HG21 ILE 17 HG21 ILE 17 44.262 15.649 -5.706 147 HG22 ILE 17 HG22 ILE 17 44.861 14.310 -4.707 148 HG23 ILE 17 HG23 ILE 17 45.535 15.940 -4.497 149 HD11 ILE 17 HD1 ILE 17 43.635 17.809 -5.195 150 HD12 ILE 17 HD2 ILE 17 43.701 19.116 -3.995 151 HD13 ILE 17 HD3 ILE 17 42.181 18.237 -4.270 152 H GLY 18 HN GLY 18 41.886 13.331 -2.808 153 HA2 GLY 18 HA1 GLY 18 42.619 11.391 -4.849 154 HA3 GLY 18 HA2 GLY 18 41.983 11.045 -3.226 155 H GLY 19 HN GLY 19 39.606 12.504 -3.287 156 HA2 GLY 19 HA1 GLY 19 37.874 10.650 -4.604 157 HA3 GLY 19 HA2 GLY 19 37.401 12.219 -3.921 158 H ALA 20 HN ALA 20 38.959 13.957 -5.483 159 HA ALA 20 HA ALA 20 37.311 14.007 -7.890 160 HB1 ALA 20 HB1 ALA 20 39.740 15.677 -7.157 161 HB2 ALA 20 HB2 ALA 20 38.061 16.050 -6.697 162 HB3 ALA 20 HB3 ALA 20 38.537 16.050 -8.412 163 H LEU 21 HN LEU 21 40.853 13.749 -7.323 164 HA LEU 21 HA LEU 21 42.522 12.911 -8.691 165 HB2 LEU 21 HB2 LEU 21 41.549 10.784 -8.103 166 HB3 LEU 21 HB1 LEU 21 40.244 10.985 -9.291 167 HG LEU 21 HG LEU 21 41.788 10.749 -11.145 168 HD11 LEU 21 HD11 LEU 21 43.916 10.959 -8.978 169 HD12 LEU 21 HD12 LEU 21 43.737 11.939 -10.455 170 HD13 LEU 21 HD13 LEU 21 44.270 10.246 -10.571 171 HD21 LEU 21 HD21 LEU 21 42.679 8.476 -10.712 172 HD22 LEU 21 HD22 LEU 21 41.034 8.657 -10.056 173 HD23 LEU 21 HD23 LEU 21 42.441 8.715 -8.966 174 H ASP 22 HN ASP 22 42.937 14.564 -10.109 175 HA ASP 22 HA ASP 22 42.920 15.722 -12.122 176 HB2 ASP 22 HB2 ASP 22 43.775 13.472 -12.831 177 HB3 ASP 22 HB1 ASP 22 42.109 13.026 -13.273 178 H HIS 23 HN HIS 23 40.391 15.598 -10.579 179 HA HIS 23 HA HIS 23 38.156 16.169 -10.858 180 HB2 HIS 23 HB2 HIS 23 39.143 17.316 -13.499 181 HB3 HIS 23 HB1 HIS 23 37.674 17.790 -12.612 182 HD1 HIS 23 HD1 HIS 23 38.151 18.712 -10.054 183 HD2 HIS 23 HD2 HIS 23 41.392 18.742 -12.735 184 HE1 HIS 23 HE1 HIS 23 39.902 20.320 -9.114 185 H LEU 24 HN LEU 24 38.485 13.557 -11.395 186 HA LEU 24 HA LEU 24 37.755 12.686 -14.005 187 HB2 LEU 24 HB2 LEU 24 38.609 11.105 -12.398 188 HB3 LEU 24 HB1 LEU 24 37.305 11.475 -11.249 189 HG LEU 24 HG LEU 24 35.643 10.440 -12.678 190 HD11 LEU 24 HD11 LEU 24 36.482 9.316 -14.862 191 HD12 LEU 24 HD12 LEU 24 37.902 10.379 -14.718 192 HD13 LEU 24 HD13 LEU 24 36.276 11.082 -14.889 193 HD21 LEU 24 HD21 LEU 24 37.000 8.914 -11.282 194 HD22 LEU 24 HD22 LEU 24 38.179 8.743 -12.604 195 HD23 LEU 24 HD23 LEU 24 36.523 8.123 -12.803
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