NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649956 | 6ry9 | 34410 | 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 57.304 2.148 -3.965 2 H2 GLY 1 HT2 GLY 1 55.749 1.518 -3.694 3 H3 GLY 1 HT3 GLY 1 56.806 0.748 -4.778 4 HA2 GLY 1 HA1 GLY 1 56.431 -0.058 -2.322 5 HA3 GLY 1 HA2 GLY 1 57.951 -0.276 -3.211 6 H ARG 2 HN ARG 2 58.636 2.558 -3.221 7 HA ARG 2 HA ARG 2 58.758 3.461 -0.456 8 HB2 ARG 2 HB2 ARG 2 61.301 3.258 -0.335 9 HB3 ARG 2 HB1 ARG 2 60.394 1.739 -0.141 10 HG2 ARG 2 HG2 ARG 2 60.843 1.076 -2.411 11 HG3 ARG 2 HG1 ARG 2 61.484 2.684 -2.823 12 HD2 ARG 2 HD2 ARG 2 62.717 0.821 -0.748 13 HD3 ARG 2 HD1 ARG 2 63.283 0.971 -2.430 14 HE ARG 2 HE ARG 2 63.189 3.576 -1.232 15 HH11 ARG 2 HH11 ARG 2 65.395 4.347 -1.595 16 HH12 ARG 2 HH12 ARG 2 66.666 3.406 -0.888 17 HH21 ARG 2 HH21 ARG 2 64.608 0.724 -0.114 18 HH22 ARG 2 HH22 ARG 2 66.220 1.354 -0.049 19 H ARG 3 HN ARG 3 58.300 4.189 -3.418 20 HA ARG 3 HA ARG 3 60.294 6.002 -4.282 21 HB2 ARG 3 HB2 ARG 3 58.215 5.182 -5.537 22 HB3 ARG 3 HB1 ARG 3 57.302 6.409 -4.633 23 HG2 ARG 3 HG2 ARG 3 57.848 7.613 -6.571 24 HG3 ARG 3 HG1 ARG 3 59.200 8.062 -5.510 25 HD2 ARG 3 HD2 ARG 3 59.956 7.428 -7.805 26 HD3 ARG 3 HD1 ARG 3 60.624 6.343 -6.567 27 HE ARG 3 HE ARG 3 59.497 4.604 -7.679 28 HH11 ARG 3 HH11 ARG 3 56.962 4.273 -7.500 29 HH12 ARG 3 HH12 ARG 3 56.131 5.070 -8.793 30 HH21 ARG 3 HH21 ARG 3 58.826 7.081 -9.640 31 HH22 ARG 3 HH22 ARG 3 57.187 6.660 -10.006 32 H LYS 4 HN LYS 4 57.828 6.290 -1.801 33 HA LYS 4 HA LYS 4 59.022 8.893 -0.967 34 HB2 LYS 4 HB2 LYS 4 56.027 8.542 -1.397 35 HB3 LYS 4 HB1 LYS 4 56.860 10.001 -0.806 36 HG2 LYS 4 HG2 LYS 4 58.167 10.006 -2.998 37 HG3 LYS 4 HG1 LYS 4 57.055 8.740 -3.571 38 HD2 LYS 4 HD2 LYS 4 55.127 10.246 -3.145 39 HD3 LYS 4 HD1 LYS 4 56.248 11.516 -2.599 40 HE2 LYS 4 HE2 LYS 4 56.096 10.277 -5.380 41 HE3 LYS 4 HE1 LYS 4 55.692 11.950 -4.927 42 HZ1 LYS 4 HZ1 LYS 4 57.824 12.193 -5.678 43 HZ2 LYS 4 HZ2 LYS 4 58.325 10.656 -5.152 44 HZ3 LYS 4 HZ3 LYS 4 58.130 11.918 -4.033 45 H ARG 5 HN ARG 5 58.804 9.328 1.218 46 HA ARG 5 HA ARG 5 58.552 7.059 2.939 47 HB2 ARG 5 HB2 ARG 5 58.208 9.969 3.751 48 HB3 ARG 5 HB1 ARG 5 58.779 8.617 4.757 49 HG2 ARG 5 HG2 ARG 5 60.201 9.767 2.312 50 HG3 ARG 5 HG1 ARG 5 60.688 9.984 4.009 51 HD2 ARG 5 HD2 ARG 5 60.732 7.354 4.086 52 HD3 ARG 5 HD1 ARG 5 60.791 7.475 2.311 53 HE ARG 5 HE ARG 5 63.012 8.260 2.501 54 HH11 ARG 5 HH11 ARG 5 62.496 10.544 4.346 55 HH12 ARG 5 HH12 ARG 5 63.382 10.085 5.762 56 HH21 ARG 5 HH21 ARG 5 63.663 6.756 4.833 57 HH22 ARG 5 HH22 ARG 5 64.042 7.942 6.038 58 H LYS 6 HN LYS 6 56.561 6.053 2.387 59 HA LYS 6 HA LYS 6 54.271 5.686 2.573 60 HB2 LYS 6 HB2 LYS 6 54.656 7.367 5.082 61 HB3 LYS 6 HB1 LYS 6 53.296 6.265 4.757 62 HG2 LYS 6 HG2 LYS 6 54.881 4.361 4.592 63 HG3 LYS 6 HG1 LYS 6 56.234 5.465 4.941 64 HD2 LYS 6 HD2 LYS 6 55.117 6.066 7.113 65 HD3 LYS 6 HD1 LYS 6 53.883 4.828 6.775 66 HE2 LYS 6 HE2 LYS 6 55.602 3.078 6.722 67 HE3 LYS 6 HE1 LYS 6 56.881 4.293 6.952 68 HZ1 LYS 6 HZ1 LYS 6 56.504 4.333 9.128 69 HZ2 LYS 6 HZ2 LYS 6 55.530 2.955 8.926 70 HZ3 LYS 6 HZ3 LYS 6 54.828 4.503 8.932 71 H TRP 7 HN TRP 7 54.109 7.159 0.626 72 HA TRP 7 HA TRP 7 51.934 9.026 1.109 73 HB2 TRP 7 HB2 TRP 7 53.923 10.411 1.786 74 HB3 TRP 7 HB1 TRP 7 54.554 10.228 0.132 75 HD1 TRP 7 HD1 TRP 7 53.404 11.585 -1.781 76 HE1 TRP 7 HE1 TRP 7 51.644 13.498 -1.846 77 HE3 TRP 7 HE3 TRP 7 51.753 11.326 3.059 78 HZ2 TRP 7 HZ2 TRP 7 49.784 14.726 -0.020 79 HZ3 TRP 7 HZ3 TRP 7 49.985 12.878 3.875 80 HH2 TRP 7 HH2 TRP 7 49.001 14.576 2.342 81 H LEU 8 HN LEU 8 53.644 6.878 -0.716 82 HA LEU 8 HA LEU 8 53.571 7.782 -3.359 83 HB2 LEU 8 HB2 LEU 8 52.547 4.983 -2.971 84 HB3 LEU 8 HB1 LEU 8 53.894 5.580 -3.966 85 HG LEU 8 HG LEU 8 55.041 6.048 -1.592 86 HD11 LEU 8 HD11 LEU 8 53.334 3.642 -0.839 87 HD12 LEU 8 HD12 LEU 8 52.790 5.290 -0.463 88 HD13 LEU 8 HD13 LEU 8 54.321 4.686 0.210 89 HD21 LEU 8 HD21 LEU 8 55.960 4.491 -3.232 90 HD22 LEU 8 HD22 LEU 8 54.712 3.282 -2.845 91 HD23 LEU 8 HD23 LEU 8 55.954 3.698 -1.640 92 H ARG 9 HN ARG 9 50.963 5.747 -1.947 93 HA ARG 9 HA ARG 9 48.853 7.538 -2.747 94 HB2 ARG 9 HB2 ARG 9 49.794 6.514 -4.998 95 HB3 ARG 9 HB1 ARG 9 48.931 5.050 -4.486 96 HG2 ARG 9 HG2 ARG 9 47.253 6.120 -5.725 97 HG3 ARG 9 HG1 ARG 9 46.902 6.751 -4.102 98 HD2 ARG 9 HD2 ARG 9 48.177 8.805 -4.601 99 HD3 ARG 9 HD1 ARG 9 48.603 8.165 -6.206 100 HE ARG 9 HE ARG 9 45.752 8.148 -5.922 101 HH11 ARG 9 HH11 ARG 9 46.421 10.845 -4.766 102 HH12 ARG 9 HH12 ARG 9 46.418 11.848 -6.179 103 HH21 ARG 9 HH21 ARG 9 46.621 9.185 -8.392 104 HH22 ARG 9 HH22 ARG 9 46.533 10.908 -8.232 105 H ARG 10 HN ARG 10 50.002 5.455 -0.723 106 HA ARG 10 HA ARG 10 48.248 3.292 -0.423 107 HB2 ARG 10 HB2 ARG 10 48.561 3.929 2.188 108 HB3 ARG 10 HB1 ARG 10 49.892 3.260 1.216 109 HG2 ARG 10 HG2 ARG 10 50.868 5.413 0.870 110 HG3 ARG 10 HG1 ARG 10 49.424 6.260 1.458 111 HD2 ARG 10 HD2 ARG 10 51.398 6.099 3.099 112 HD3 ARG 10 HD1 ARG 10 49.817 5.562 3.717 113 HE ARG 10 HE ARG 10 51.313 3.362 2.550 114 HH11 ARG 10 HH11 ARG 10 51.604 1.705 4.100 115 HH12 ARG 10 HH12 ARG 10 51.942 2.151 5.739 116 HH21 ARG 10 HH21 ARG 10 51.471 5.543 5.191 117 HH22 ARG 10 HH22 ARG 10 51.868 4.323 6.356 118 H ILE 11 HN ILE 11 47.752 5.963 1.870 119 HA ILE 11 HA ILE 11 44.816 5.603 1.563 120 HB ILE 11 HB ILE 11 44.742 7.235 3.513 121 HG12 ILE 11 HG12 ILE 11 47.748 6.731 3.704 122 HG13 ILE 11 HG11 ILE 11 47.102 8.166 2.882 123 HG21 ILE 11 HG21 ILE 11 46.478 4.760 3.944 124 HG22 ILE 11 HG22 ILE 11 44.710 4.730 3.750 125 HG23 ILE 11 HG23 ILE 11 45.436 5.552 5.147 126 HD11 ILE 11 HD1 ILE 11 47.559 8.818 5.149 127 HD12 ILE 11 HD2 ILE 11 46.737 7.386 5.803 128 HD13 ILE 11 HD3 ILE 11 45.793 8.673 5.015 129 H GLY 12 HN GLY 12 47.318 7.576 0.338 130 HA2 GLY 12 HA1 GLY 12 46.116 10.121 0.189 131 HA3 GLY 12 HA2 GLY 12 47.220 9.445 -1.031 132 H LYS 13 HN LYS 13 45.691 7.248 -1.845 133 HA LYS 13 HA LYS 13 44.148 8.232 -3.939 134 HB2 LYS 13 HB2 LYS 13 44.805 5.838 -3.549 135 HB3 LYS 13 HB1 LYS 13 43.522 5.736 -2.323 136 HG2 LYS 13 HG2 LYS 13 41.800 6.130 -3.952 137 HG3 LYS 13 HG1 LYS 13 42.988 6.597 -5.192 138 HD2 LYS 13 HD2 LYS 13 42.135 4.268 -5.523 139 HD3 LYS 13 HD1 LYS 13 43.891 4.316 -5.244 140 HE2 LYS 13 HE2 LYS 13 42.505 2.543 -3.935 141 HE3 LYS 13 HE1 LYS 13 43.682 3.511 -3.017 142 HZ1 LYS 13 HZ1 LYS 13 40.746 3.970 -3.213 143 HZ2 LYS 13 HZ2 LYS 13 41.831 5.038 -2.462 144 HZ3 LYS 13 HZ3 LYS 13 41.612 3.472 -1.843 145 H GLY 14 HN GLY 14 43.424 8.327 -0.582 146 HA2 GLY 14 HA1 GLY 14 40.504 8.772 -1.080 147 HA3 GLY 14 HA2 GLY 14 41.263 8.407 0.479 148 H VAL 15 HN VAL 15 43.398 10.269 0.460 149 HA VAL 15 HA VAL 15 41.793 12.811 0.744 150 HB VAL 15 HB VAL 15 43.701 13.535 2.235 151 HG11 VAL 15 HG11 VAL 15 41.612 12.642 3.169 152 HG12 VAL 15 HG12 VAL 15 42.998 12.075 4.132 153 HG13 VAL 15 HG13 VAL 15 42.211 10.978 2.972 154 HG21 VAL 15 HG21 VAL 15 44.503 10.615 1.853 155 HG22 VAL 15 HG22 VAL 15 45.151 11.677 3.122 156 HG23 VAL 15 HG23 VAL 15 45.461 12.047 1.410 157 H LYS 16 HN LYS 16 44.866 11.480 -0.523 158 HA LYS 16 HA LYS 16 45.946 13.956 -1.414 159 HB2 LYS 16 HB2 LYS 16 47.176 11.785 -1.313 160 HB3 LYS 16 HB1 LYS 16 46.264 11.238 -2.741 161 HG2 LYS 16 HG2 LYS 16 47.177 13.041 -4.094 162 HG3 LYS 16 HG1 LYS 16 47.948 13.779 -2.670 163 HD2 LYS 16 HD2 LYS 16 49.270 11.622 -2.390 164 HD3 LYS 16 HD1 LYS 16 48.634 11.112 -3.973 165 HE2 LYS 16 HE2 LYS 16 49.582 13.190 -4.989 166 HE3 LYS 16 HE1 LYS 16 50.280 13.617 -3.409 167 HZ1 LYS 16 HZ1 LYS 16 50.831 10.957 -4.542 168 HZ2 LYS 16 HZ2 LYS 16 51.784 11.915 -3.510 169 HZ3 LYS 16 HZ3 LYS 16 51.668 12.297 -5.162 170 H ILE 17 HN ILE 17 43.955 11.544 -3.212 171 HA ILE 17 HA ILE 17 43.784 13.304 -5.536 172 HB ILE 17 HB ILE 17 43.580 10.689 -5.441 173 HG12 ILE 17 HG12 ILE 17 41.699 10.867 -7.350 174 HG13 ILE 17 HG11 ILE 17 41.946 12.613 -7.133 175 HG21 ILE 17 HG21 ILE 17 41.700 10.830 -3.708 176 HG22 ILE 17 HG22 ILE 17 41.415 9.748 -5.093 177 HG23 ILE 17 HG23 ILE 17 40.639 11.346 -5.041 178 HD11 ILE 17 HD1 ILE 17 43.397 11.668 -8.926 179 HD12 ILE 17 HD2 ILE 17 44.150 10.585 -7.733 180 HD13 ILE 17 HD3 ILE 17 44.358 12.346 -7.593 181 H ILE 18 HN ILE 18 42.775 14.026 -2.672 182 HA ILE 18 HA ILE 18 41.100 15.369 -1.822 183 HB ILE 18 HB ILE 18 40.123 15.808 -4.675 184 HG12 ILE 18 HG12 ILE 18 42.448 17.115 -3.188 185 HG13 ILE 18 HG11 ILE 18 42.556 16.131 -4.665 186 HG21 ILE 18 HG21 ILE 18 40.229 17.732 -2.316 187 HG22 ILE 18 HG22 ILE 18 38.833 16.669 -2.619 188 HG23 ILE 18 HG23 ILE 18 39.298 17.891 -3.824 189 HD11 ILE 18 HD1 ILE 18 40.934 17.883 -5.711 190 HD12 ILE 18 HD2 ILE 18 42.628 18.366 -5.459 191 HD13 ILE 18 HD3 ILE 18 41.373 18.906 -4.321 192 H GLY 19 HN GLY 19 39.691 14.222 -0.672 193 HA2 GLY 19 HA1 GLY 19 37.166 13.451 -1.894 194 HA3 GLY 19 HA2 GLY 19 38.167 12.047 -1.471 195 H GLY 20 HN GLY 20 38.692 11.631 0.712 196 HA2 GLY 20 HA1 GLY 20 36.557 12.376 2.532 197 HA3 GLY 20 HA2 GLY 20 37.981 11.384 2.909 198 H ALA 21 HN ALA 21 39.662 13.693 1.744 199 HA ALA 21 HA ALA 21 40.501 14.833 4.162 200 HB1 ALA 21 HB1 ALA 21 40.529 16.150 1.424 201 HB2 ALA 21 HB2 ALA 21 41.727 14.973 2.015 202 HB3 ALA 21 HB3 ALA 21 41.572 16.561 2.805 203 H ALA 22 HN ALA 22 38.549 16.574 1.687 204 HA ALA 22 HA ALA 22 37.835 18.702 3.466 205 HB1 ALA 22 HB1 ALA 22 37.718 18.782 0.972 206 HB2 ALA 22 HB2 ALA 22 36.220 19.324 1.766 207 HB3 ALA 22 HB3 ALA 22 36.307 17.701 1.038 208 H LEU 23 HN LEU 23 36.106 15.728 2.470 209 HA LEU 23 HA LEU 23 33.864 16.317 4.295 210 HB2 LEU 23 HB2 LEU 23 34.411 13.672 2.907 211 HB3 LEU 23 HB1 LEU 23 32.850 14.376 3.389 212 HG LEU 23 HG LEU 23 34.708 15.406 1.198 213 HD11 LEU 23 HD11 LEU 23 33.409 13.376 0.614 214 HD12 LEU 23 HD12 LEU 23 32.824 14.796 -0.286 215 HD13 LEU 23 HD13 LEU 23 31.910 14.192 1.116 216 HD21 LEU 23 HD21 LEU 23 32.680 16.951 0.767 217 HD22 LEU 23 HD22 LEU 23 33.689 17.342 2.179 218 HD23 LEU 23 HD23 LEU 23 32.133 16.506 2.401 219 H ASP 24 HN ASP 24 33.397 13.592 5.112 220 HA ASP 24 HA ASP 24 33.794 12.307 7.007 221 HB2 ASP 24 HB2 ASP 24 36.635 12.762 6.044 222 HB3 ASP 24 HB1 ASP 24 36.203 11.620 7.339 223 H HIS 25 HN HIS 25 34.212 15.465 6.980 224 HA HIS 25 HA HIS 25 34.664 15.604 9.894 225 HB2 HIS 25 HB2 HIS 25 36.534 16.954 7.904 226 HB3 HIS 25 HB1 HIS 25 36.426 17.387 9.628 227 HD1 HIS 25 HD1 HIS 25 36.509 14.977 11.219 228 HD2 HIS 25 HD2 HIS 25 38.512 15.080 7.523 229 HE1 HIS 25 HE1 HIS 25 38.299 13.155 11.273 230 H LEU 26 HN LEU 26 32.336 15.977 8.723 231 HA LEU 26 HA LEU 26 31.953 18.722 7.797 232 HB2 LEU 26 HB2 LEU 26 29.725 16.919 8.783 233 HB3 LEU 26 HB1 LEU 26 29.709 18.106 7.457 234 HG LEU 26 HG LEU 26 31.147 15.415 7.492 235 HD11 LEU 26 HD11 LEU 26 28.639 15.480 7.102 236 HD12 LEU 26 HD12 LEU 26 29.585 14.804 5.754 237 HD13 LEU 26 HD13 LEU 26 28.959 16.467 5.656 238 HD21 LEU 26 HD21 LEU 26 32.590 16.904 6.275 239 HD22 LEU 26 HD22 LEU 26 31.210 17.732 5.512 240 HD23 LEU 26 HD23 LEU 26 31.624 16.066 5.039 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 56.655 -2.177 3.743 2 H2 GLY 1 HT2 GLY 1 55.072 -2.653 4.133 3 H3 GLY 1 HT3 GLY 1 55.658 -1.140 4.639 4 HA2 GLY 1 HA1 GLY 1 55.637 -1.777 1.800 5 HA3 GLY 1 HA2 GLY 1 54.111 -1.357 2.604 6 H ARG 2 HN ARG 2 56.935 -0.193 1.121 7 HA ARG 2 HA ARG 2 56.044 2.545 1.321 8 HB2 ARG 2 HB2 ARG 2 58.088 3.390 2.569 9 HB3 ARG 2 HB1 ARG 2 56.898 2.522 3.570 10 HG2 ARG 2 HG2 ARG 2 58.227 0.490 3.504 11 HG3 ARG 2 HG1 ARG 2 59.355 1.212 2.331 12 HD2 ARG 2 HD2 ARG 2 60.132 2.826 3.958 13 HD3 ARG 2 HD1 ARG 2 58.862 2.354 5.112 14 HE ARG 2 HE ARG 2 60.256 0.574 5.773 15 HH11 ARG 2 HH11 ARG 2 62.816 1.361 5.337 16 HH12 ARG 2 HH12 ARG 2 63.423 0.464 3.986 17 HH21 ARG 2 HH21 ARG 2 60.281 -0.459 2.846 18 HH22 ARG 2 HH22 ARG 2 61.989 -0.565 2.576 19 H ARG 3 HN ARG 3 56.511 1.095 -0.876 20 HA ARG 3 HA ARG 3 59.125 0.964 -1.913 21 HB2 ARG 3 HB2 ARG 3 58.037 1.180 -4.153 22 HB3 ARG 3 HB1 ARG 3 57.214 0.013 -3.090 23 HG2 ARG 3 HG2 ARG 3 55.580 1.789 -2.447 24 HG3 ARG 3 HG1 ARG 3 56.374 2.903 -3.585 25 HD2 ARG 3 HD2 ARG 3 54.397 1.865 -4.636 26 HD3 ARG 3 HD1 ARG 3 55.888 1.331 -5.449 27 HE ARG 3 HE ARG 3 55.314 -0.563 -3.416 28 HH11 ARG 3 HH11 ARG 3 55.707 -1.856 -5.837 29 HH12 ARG 3 HH12 ARG 3 54.134 -2.204 -6.472 30 HH21 ARG 3 HH21 ARG 3 52.515 0.092 -4.439 31 HH22 ARG 3 HH22 ARG 3 52.326 -1.101 -5.680 32 H LYS 4 HN LYS 4 57.346 3.722 -0.971 33 HA LYS 4 HA LYS 4 59.507 5.481 -1.873 34 HB2 LYS 4 HB2 LYS 4 57.999 5.212 -3.918 35 HB3 LYS 4 HB1 LYS 4 56.728 6.032 -2.980 36 HG2 LYS 4 HG2 LYS 4 58.453 7.908 -2.573 37 HG3 LYS 4 HG1 LYS 4 59.435 7.133 -3.837 38 HD2 LYS 4 HD2 LYS 4 56.584 8.177 -4.145 39 HD3 LYS 4 HD1 LYS 4 58.054 8.914 -4.821 40 HE2 LYS 4 HE2 LYS 4 56.728 6.293 -5.589 41 HE3 LYS 4 HE1 LYS 4 57.140 7.676 -6.629 42 HZ1 LYS 4 HZ1 LYS 4 58.782 6.088 -7.047 43 HZ2 LYS 4 HZ2 LYS 4 58.963 5.682 -5.407 44 HZ3 LYS 4 HZ3 LYS 4 59.532 7.176 -5.983 45 H ARG 5 HN ARG 5 59.108 5.137 0.629 46 HA ARG 5 HA ARG 5 58.377 6.055 2.640 47 HB2 ARG 5 HB2 ARG 5 58.426 8.522 0.860 48 HB3 ARG 5 HB1 ARG 5 58.288 8.566 2.635 49 HG2 ARG 5 HG2 ARG 5 60.432 7.375 2.854 50 HG3 ARG 5 HG1 ARG 5 60.567 7.260 1.083 51 HD2 ARG 5 HD2 ARG 5 61.911 9.151 1.996 52 HD3 ARG 5 HD1 ARG 5 60.623 9.715 0.903 53 HE ARG 5 HE ARG 5 59.542 9.747 3.517 54 HH11 ARG 5 HH11 ARG 5 59.683 11.579 4.842 55 HH12 ARG 5 HH12 ARG 5 60.725 12.883 4.378 56 HH21 ARG 5 HH21 ARG 5 61.939 11.266 1.562 57 HH22 ARG 5 HH22 ARG 5 62.001 12.706 2.523 58 H LYS 6 HN LYS 6 56.693 7.891 3.521 59 HA LYS 6 HA LYS 6 54.075 6.756 2.808 60 HB2 LYS 6 HB2 LYS 6 54.544 9.121 4.655 61 HB3 LYS 6 HB1 LYS 6 53.258 7.891 4.717 62 HG2 LYS 6 HG2 LYS 6 56.224 7.451 5.287 63 HG3 LYS 6 HG1 LYS 6 54.902 7.447 6.477 64 HD2 LYS 6 HD2 LYS 6 53.861 5.537 5.099 65 HD3 LYS 6 HD1 LYS 6 55.419 5.444 4.243 66 HE2 LYS 6 HE2 LYS 6 56.551 5.192 6.493 67 HE3 LYS 6 HE1 LYS 6 54.935 5.067 7.227 68 HZ1 LYS 6 HZ1 LYS 6 56.419 3.040 6.044 69 HZ2 LYS 6 HZ2 LYS 6 55.125 3.347 4.986 70 HZ3 LYS 6 HZ3 LYS 6 54.823 2.954 6.612 71 H TRP 7 HN TRP 7 54.534 7.613 0.498 72 HA TRP 7 HA TRP 7 52.890 10.065 0.202 73 HB2 TRP 7 HB2 TRP 7 55.746 9.841 -0.833 74 HB3 TRP 7 HB1 TRP 7 54.569 11.040 -1.417 75 HD1 TRP 7 HD1 TRP 7 57.024 10.410 1.309 76 HE1 TRP 7 HE1 TRP 7 56.921 12.282 3.111 77 HE3 TRP 7 HE3 TRP 7 52.692 12.708 -0.162 78 HZ2 TRP 7 HZ2 TRP 7 55.177 14.469 3.794 79 HZ3 TRP 7 HZ3 TRP 7 51.827 14.686 1.080 80 HH2 TRP 7 HH2 TRP 7 53.065 15.568 3.054 81 H LEU 8 HN LEU 8 53.746 6.974 -0.601 82 HA LEU 8 HA LEU 8 53.379 7.019 -3.458 83 HB2 LEU 8 HB2 LEU 8 53.369 4.648 -3.345 84 HB3 LEU 8 HB1 LEU 8 54.469 5.179 -2.058 85 HG LEU 8 HG LEU 8 51.572 4.262 -1.716 86 HD11 LEU 8 HD11 LEU 8 52.642 2.446 -0.403 87 HD12 LEU 8 HD12 LEU 8 54.244 3.105 -0.813 88 HD13 LEU 8 HD13 LEU 8 53.196 2.450 -2.094 89 HD21 LEU 8 HD21 LEU 8 53.593 5.418 0.257 90 HD22 LEU 8 HD22 LEU 8 52.179 4.467 0.765 91 HD23 LEU 8 HD23 LEU 8 51.950 6.008 -0.090 92 H ARG 9 HN ARG 9 51.263 8.108 -1.307 93 HA ARG 9 HA ARG 9 48.986 8.446 -1.350 94 HB2 ARG 9 HB2 ARG 9 48.940 7.160 -4.100 95 HB3 ARG 9 HB1 ARG 9 47.824 8.369 -3.428 96 HG2 ARG 9 HG2 ARG 9 50.769 8.794 -4.103 97 HG3 ARG 9 HG1 ARG 9 49.372 9.479 -4.961 98 HD2 ARG 9 HD2 ARG 9 48.724 10.516 -2.653 99 HD3 ARG 9 HD1 ARG 9 50.403 10.146 -2.186 100 HE ARG 9 HE ARG 9 49.623 12.358 -3.798 101 HH11 ARG 9 HH11 ARG 9 50.786 10.700 -5.978 102 HH12 ARG 9 HH12 ARG 9 52.467 11.113 -5.907 103 HH21 ARG 9 HH21 ARG 9 52.265 12.492 -2.732 104 HH22 ARG 9 HH22 ARG 9 53.304 12.129 -4.069 105 H ARG 10 HN ARG 10 49.801 6.238 0.047 106 HA ARG 10 HA ARG 10 48.620 3.766 -0.677 107 HB2 ARG 10 HB2 ARG 10 48.260 3.698 2.014 108 HB3 ARG 10 HB1 ARG 10 49.866 3.528 1.271 109 HG2 ARG 10 HG2 ARG 10 50.463 5.779 1.732 110 HG3 ARG 10 HG1 ARG 10 48.782 6.272 2.014 111 HD2 ARG 10 HD2 ARG 10 48.697 4.940 4.072 112 HD3 ARG 10 HD1 ARG 10 50.336 4.319 3.767 113 HE ARG 10 HE ARG 10 50.514 7.147 3.800 114 HH11 ARG 10 HH11 ARG 10 49.241 4.751 5.904 115 HH12 ARG 10 HH12 ARG 10 49.927 5.444 7.336 116 HH21 ARG 10 HH21 ARG 10 51.594 7.965 5.638 117 HH22 ARG 10 HH22 ARG 10 51.258 7.263 7.185 118 H ILE 11 HN ILE 11 47.143 5.685 1.934 119 HA ILE 11 HA ILE 11 44.456 4.940 0.915 120 HB ILE 11 HB ILE 11 44.927 4.762 3.350 121 HG12 ILE 11 HG12 ILE 11 43.004 7.073 2.811 122 HG13 ILE 11 HG11 ILE 11 42.630 5.386 2.396 123 HG21 ILE 11 HG21 ILE 11 45.429 6.704 4.693 124 HG22 ILE 11 HG22 ILE 11 45.175 7.801 3.314 125 HG23 ILE 11 HG23 ILE 11 46.575 6.706 3.335 126 HD11 ILE 11 HD1 ILE 11 43.137 4.820 4.854 127 HD12 ILE 11 HD2 ILE 11 41.660 5.763 4.550 128 HD13 ILE 11 HD3 ILE 11 43.122 6.575 5.152 129 H GLY 12 HN GLY 12 46.744 7.523 0.754 130 HA2 GLY 12 HA1 GLY 12 45.045 9.786 0.645 131 HA3 GLY 12 HA2 GLY 12 46.589 9.617 -0.220 132 H LYS 13 HN LYS 13 45.895 7.403 -1.849 133 HA LYS 13 HA LYS 13 44.817 8.649 -4.119 134 HB2 LYS 13 HB2 LYS 13 45.965 6.476 -4.180 135 HB3 LYS 13 HB1 LYS 13 44.620 5.726 -3.289 136 HG2 LYS 13 HG2 LYS 13 43.093 6.065 -5.110 137 HG3 LYS 13 HG1 LYS 13 44.227 7.152 -5.949 138 HD2 LYS 13 HD2 LYS 13 44.178 4.857 -6.951 139 HD3 LYS 13 HD1 LYS 13 45.785 5.296 -6.328 140 HE2 LYS 13 HE2 LYS 13 45.567 3.892 -4.427 141 HE3 LYS 13 HE1 LYS 13 43.798 3.777 -4.599 142 HZ1 LYS 13 HZ1 LYS 13 43.970 2.241 -6.244 143 HZ2 LYS 13 HZ2 LYS 13 45.412 1.877 -5.422 144 HZ3 LYS 13 HZ3 LYS 13 45.449 2.832 -6.827 145 H GLY 14 HN GLY 14 43.250 7.718 -1.227 146 HA2 GLY 14 HA1 GLY 14 40.546 7.649 -2.505 147 HA3 GLY 14 HA2 GLY 14 40.954 7.141 -0.856 148 H VAL 15 HN VAL 15 42.405 9.355 0.077 149 HA VAL 15 HA VAL 15 40.173 11.379 0.194 150 HB VAL 15 HB VAL 15 41.390 12.182 2.273 151 HG11 VAL 15 HG11 VAL 15 39.426 10.722 2.427 152 HG12 VAL 15 HG12 VAL 15 40.621 10.244 3.657 153 HG13 VAL 15 HG13 VAL 15 40.442 9.284 2.168 154 HG21 VAL 15 HG21 VAL 15 42.980 10.528 3.297 155 HG22 VAL 15 HG22 VAL 15 43.619 11.274 1.816 156 HG23 VAL 15 HG23 VAL 15 42.970 9.617 1.770 157 H LYS 16 HN LYS 16 43.716 11.056 -0.231 158 HA LYS 16 HA LYS 16 44.271 13.839 -0.457 159 HB2 LYS 16 HB2 LYS 16 45.919 11.882 -0.291 160 HB3 LYS 16 HB1 LYS 16 45.675 11.655 -2.035 161 HG2 LYS 16 HG2 LYS 16 47.522 13.097 -2.068 162 HG3 LYS 16 HG1 LYS 16 46.198 14.278 -2.136 163 HD2 LYS 16 HD2 LYS 16 47.493 15.184 -0.403 164 HD3 LYS 16 HD1 LYS 16 46.375 14.170 0.535 165 HE2 LYS 16 HE2 LYS 16 48.611 13.739 1.356 166 HE3 LYS 16 HE1 LYS 16 48.115 12.312 0.416 167 HZ1 LYS 16 HZ1 LYS 16 49.247 14.001 -1.420 168 HZ2 LYS 16 HZ2 LYS 16 49.969 12.620 -0.742 169 HZ3 LYS 16 HZ3 LYS 16 50.252 14.151 -0.063 170 H ILE 17 HN ILE 17 43.136 11.454 -2.840 171 HA ILE 17 HA ILE 17 43.483 12.926 -5.198 172 HB ILE 17 HB ILE 17 42.673 10.631 -5.231 173 HG12 ILE 17 HG12 ILE 17 40.819 10.816 -6.852 174 HG13 ILE 17 HG11 ILE 17 40.546 12.500 -6.371 175 HG21 ILE 17 HG21 ILE 17 40.568 9.918 -4.391 176 HG22 ILE 17 HG22 ILE 17 39.986 11.582 -4.190 177 HG23 ILE 17 HG23 ILE 17 41.249 10.949 -3.115 178 HD11 ILE 17 HD1 ILE 17 42.571 13.244 -7.338 179 HD12 ILE 17 HD2 ILE 17 42.010 12.018 -8.496 180 HD13 ILE 17 HD3 ILE 17 43.288 11.614 -7.326 181 H ILE 18 HN ILE 18 40.593 12.983 -3.036 182 HA ILE 18 HA ILE 18 40.281 15.870 -3.551 183 HB ILE 18 HB ILE 18 37.777 15.582 -4.077 184 HG12 ILE 18 HG12 ILE 18 38.482 12.921 -5.347 185 HG13 ILE 18 HG11 ILE 18 38.096 12.933 -3.614 186 HG21 ILE 18 HG21 ILE 18 39.774 14.712 -6.209 187 HG22 ILE 18 HG22 ILE 18 39.459 16.389 -5.713 188 HG23 ILE 18 HG23 ILE 18 38.177 15.435 -6.494 189 HD11 ILE 18 HD1 ILE 18 35.938 14.020 -4.081 190 HD12 ILE 18 HD2 ILE 18 36.087 12.521 -5.030 191 HD13 ILE 18 HD3 ILE 18 36.333 14.099 -5.814 192 H GLY 19 HN GLY 19 40.923 15.638 -1.287 193 HA2 GLY 19 HA1 GLY 19 39.559 14.281 0.710 194 HA3 GLY 19 HA2 GLY 19 40.288 15.883 0.928 195 H GLY 20 HN GLY 20 37.340 14.089 0.221 196 HA2 GLY 20 HA1 GLY 20 35.553 16.206 -0.247 197 HA3 GLY 20 HA2 GLY 20 35.128 14.684 0.563 198 H ALA 21 HN ALA 21 37.352 15.491 2.594 199 HA ALA 21 HA ALA 21 35.486 16.723 4.480 200 HB1 ALA 21 HB1 ALA 21 37.185 15.027 5.136 201 HB2 ALA 21 HB2 ALA 21 37.326 16.540 6.066 202 HB3 ALA 21 HB3 ALA 21 38.468 16.196 4.743 203 H ALA 22 HN ALA 22 36.632 18.113 1.939 204 HA ALA 22 HA ALA 22 36.861 20.755 3.216 205 HB1 ALA 22 HB1 ALA 22 39.174 19.542 1.662 206 HB2 ALA 22 HB2 ALA 22 39.179 20.062 3.366 207 HB3 ALA 22 HB3 ALA 22 39.023 21.269 2.066 208 H LEU 23 HN LEU 23 37.440 18.910 0.186 209 HA LEU 23 HA LEU 23 36.372 21.136 -1.434 210 HB2 LEU 23 HB2 LEU 23 37.457 18.361 -2.020 211 HB3 LEU 23 HB1 LEU 23 36.644 19.310 -3.286 212 HG LEU 23 HG LEU 23 38.244 21.165 -2.938 213 HD11 LEU 23 HD11 LEU 23 39.315 19.297 -0.787 214 HD12 LEU 23 HD12 LEU 23 38.834 21.004 -0.632 215 HD13 LEU 23 HD13 LEU 23 40.320 20.577 -1.507 216 HD21 LEU 23 HD21 LEU 23 40.243 20.020 -3.845 217 HD22 LEU 23 HD22 LEU 23 38.757 19.368 -4.576 218 HD23 LEU 23 HD23 LEU 23 39.599 18.453 -3.303 219 H ASP 24 HN ASP 24 34.773 19.479 0.650 220 HA ASP 24 HA ASP 24 32.301 19.494 -0.886 221 HB2 ASP 24 HB2 ASP 24 33.349 17.311 -1.606 222 HB3 ASP 24 HB1 ASP 24 33.267 16.781 0.092 223 H HIS 25 HN HIS 25 33.257 20.791 1.441 224 HA HIS 25 HA HIS 25 32.280 19.424 3.814 225 HB2 HIS 25 HB2 HIS 25 34.016 21.225 3.842 226 HB3 HIS 25 HB1 HIS 25 32.763 22.396 3.363 227 HD1 HIS 25 HD1 HIS 25 31.183 23.266 5.151 228 HD2 HIS 25 HD2 HIS 25 33.639 20.132 6.500 229 HE1 HIS 25 HE1 HIS 25 30.831 23.054 7.672 230 H LEU 26 HN LEU 26 30.200 18.939 4.095 231 HA LEU 26 HA LEU 26 28.081 20.425 2.766 232 HB2 LEU 26 HB2 LEU 26 27.688 18.543 5.115 233 HB3 LEU 26 HB1 LEU 26 26.603 18.853 3.739 234 HG LEU 26 HG LEU 26 29.291 17.414 3.661 235 HD11 LEU 26 HD11 LEU 26 26.484 16.445 2.974 236 HD12 LEU 26 HD12 LEU 26 27.271 16.170 4.546 237 HD13 LEU 26 HD13 LEU 26 27.968 15.467 3.066 238 HD21 LEU 26 HD21 LEU 26 27.399 18.329 1.453 239 HD22 LEU 26 HD22 LEU 26 28.579 17.016 1.215 240 HD23 LEU 26 HD23 LEU 26 29.141 18.657 1.611 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 53.887 -2.316 3.342 2 H2 GLY 1 HT2 GLY 1 54.878 -1.184 4.131 3 H3 GLY 1 HT3 GLY 1 55.275 -2.836 4.163 4 HA2 GLY 1 HA1 GLY 1 56.467 -2.624 2.383 5 HA3 GLY 1 HA2 GLY 1 55.007 -2.108 1.515 6 H ARG 2 HN ARG 2 57.785 -1.029 3.434 7 HA ARG 2 HA ARG 2 57.243 1.802 3.027 8 HB2 ARG 2 HB2 ARG 2 59.760 0.299 3.844 9 HB3 ARG 2 HB1 ARG 2 59.596 2.072 3.848 10 HG2 ARG 2 HG2 ARG 2 57.616 1.834 5.380 11 HG3 ARG 2 HG1 ARG 2 57.938 0.085 5.459 12 HD2 ARG 2 HD2 ARG 2 60.286 0.645 6.248 13 HD3 ARG 2 HD1 ARG 2 59.767 2.343 6.376 14 HE ARG 2 HE ARG 2 57.869 0.855 7.822 15 HH11 ARG 2 HH11 ARG 2 58.345 2.113 9.906 16 HH12 ARG 2 HH12 ARG 2 59.791 1.592 10.706 17 HH21 ARG 2 HH21 ARG 2 61.007 -0.137 7.957 18 HH22 ARG 2 HH22 ARG 2 61.297 0.317 9.603 19 H ARG 3 HN ARG 3 56.802 1.554 0.661 20 HA ARG 3 HA ARG 3 58.961 0.944 -1.149 21 HB2 ARG 3 HB2 ARG 3 56.429 2.590 -1.528 22 HB3 ARG 3 HB1 ARG 3 57.510 2.068 -2.844 23 HG2 ARG 3 HG2 ARG 3 57.120 -0.286 -2.285 24 HG3 ARG 3 HG1 ARG 3 56.124 0.185 -0.885 25 HD2 ARG 3 HD2 ARG 3 54.737 -0.428 -2.872 26 HD3 ARG 3 HD1 ARG 3 54.489 1.260 -2.367 27 HE ARG 3 HE ARG 3 55.330 1.904 -4.469 28 HH11 ARG 3 HH11 ARG 3 57.983 1.391 -4.737 29 HH12 ARG 3 HH12 ARG 3 58.151 -0.022 -5.724 30 HH21 ARG 3 HH21 ARG 3 54.875 -1.061 -5.259 31 HH22 ARG 3 HH22 ARG 3 56.392 -1.410 -6.019 32 H LYS 4 HN LYS 4 57.621 4.017 0.121 33 HA LYS 4 HA LYS 4 60.215 5.293 0.022 34 HB2 LYS 4 HB2 LYS 4 59.434 7.072 -1.702 35 HB3 LYS 4 HB1 LYS 4 59.989 5.502 -2.325 36 HG2 LYS 4 HG2 LYS 4 57.735 4.723 -2.640 37 HG3 LYS 4 HG1 LYS 4 57.063 6.105 -1.742 38 HD2 LYS 4 HD2 LYS 4 57.692 7.655 -3.469 39 HD3 LYS 4 HD1 LYS 4 58.695 6.435 -4.292 40 HE2 LYS 4 HE2 LYS 4 56.732 5.132 -4.888 41 HE3 LYS 4 HE1 LYS 4 55.681 6.183 -3.909 42 HZ1 LYS 4 HZ1 LYS 4 57.232 7.682 -5.779 43 HZ2 LYS 4 HZ2 LYS 4 55.548 7.639 -5.564 44 HZ3 LYS 4 HZ3 LYS 4 56.308 6.499 -6.567 45 H ARG 5 HN ARG 5 59.219 5.378 2.225 46 HA ARG 5 HA ARG 5 58.157 6.572 3.909 47 HB2 ARG 5 HB2 ARG 5 58.444 8.872 1.934 48 HB3 ARG 5 HB1 ARG 5 58.203 9.012 3.692 49 HG2 ARG 5 HG2 ARG 5 60.338 7.932 4.133 50 HG3 ARG 5 HG1 ARG 5 60.562 7.571 2.405 51 HD2 ARG 5 HD2 ARG 5 61.888 9.536 2.940 52 HD3 ARG 5 HD1 ARG 5 60.502 10.057 1.953 53 HE ARG 5 HE ARG 5 59.695 10.288 4.649 54 HH11 ARG 5 HH11 ARG 5 59.308 12.577 4.976 55 HH12 ARG 5 HH12 ARG 5 60.646 13.646 4.710 56 HH21 ARG 5 HH21 ARG 5 62.638 11.215 3.246 57 HH22 ARG 5 HH22 ARG 5 62.530 12.875 3.730 58 H LYS 6 HN LYS 6 56.280 8.207 4.370 59 HA LYS 6 HA LYS 6 53.910 7.032 3.128 60 HB2 LYS 6 HB2 LYS 6 54.375 9.200 5.205 61 HB3 LYS 6 HB1 LYS 6 52.746 8.809 4.604 62 HG2 LYS 6 HG2 LYS 6 53.322 7.575 6.702 63 HG3 LYS 6 HG1 LYS 6 52.985 6.486 5.338 64 HD2 LYS 6 HD2 LYS 6 55.280 5.957 5.029 65 HD3 LYS 6 HD1 LYS 6 55.828 7.368 5.967 66 HE2 LYS 6 HE2 LYS 6 54.219 5.094 7.198 67 HE3 LYS 6 HE1 LYS 6 55.999 5.106 7.156 68 HZ1 LYS 6 HZ1 LYS 6 56.006 6.458 8.894 69 HZ2 LYS 6 HZ2 LYS 6 54.309 6.402 8.967 70 HZ3 LYS 6 HZ3 LYS 6 55.084 7.610 8.058 71 H TRP 7 HN TRP 7 53.957 7.568 0.942 72 HA TRP 7 HA TRP 7 52.766 10.126 0.297 73 HB2 TRP 7 HB2 TRP 7 55.152 10.830 0.604 74 HB3 TRP 7 HB1 TRP 7 55.614 9.697 -0.689 75 HD1 TRP 7 HD1 TRP 7 53.337 12.774 -0.130 76 HE1 TRP 7 HE1 TRP 7 53.102 14.074 -2.370 77 HE3 TRP 7 HE3 TRP 7 55.929 9.589 -3.189 78 HZ2 TRP 7 HZ2 TRP 7 53.938 13.746 -5.107 79 HZ3 TRP 7 HZ3 TRP 7 56.197 10.102 -5.611 80 HH2 TRP 7 HH2 TRP 7 55.205 12.176 -6.572 81 H LEU 8 HN LEU 8 53.648 6.948 -0.272 82 HA LEU 8 HA LEU 8 53.533 6.809 -3.123 83 HB2 LEU 8 HB2 LEU 8 53.157 4.422 -2.823 84 HB3 LEU 8 HB1 LEU 8 54.395 4.986 -1.686 85 HG LEU 8 HG LEU 8 51.445 4.597 -0.966 86 HD11 LEU 8 HD11 LEU 8 52.196 2.541 0.159 87 HD12 LEU 8 HD12 LEU 8 53.860 2.823 -0.407 88 HD13 LEU 8 HD13 LEU 8 52.568 2.469 -1.581 89 HD21 LEU 8 HD21 LEU 8 52.606 4.535 1.404 90 HD22 LEU 8 HD22 LEU 8 52.326 6.108 0.636 91 HD23 LEU 8 HD23 LEU 8 53.946 5.374 0.588 92 H ARG 9 HN ARG 9 51.198 8.018 -1.173 93 HA ARG 9 HA ARG 9 48.954 8.428 -1.487 94 HB2 ARG 9 HB2 ARG 9 49.241 7.243 -4.271 95 HB3 ARG 9 HB1 ARG 9 48.042 8.423 -3.701 96 HG2 ARG 9 HG2 ARG 9 51.051 8.913 -3.840 97 HG3 ARG 9 HG1 ARG 9 49.861 9.504 -5.020 98 HD2 ARG 9 HD2 ARG 9 48.667 10.581 -2.952 99 HD3 ARG 9 HD1 ARG 9 50.221 10.321 -2.121 100 HE ARG 9 HE ARG 9 50.943 11.586 -4.480 101 HH11 ARG 9 HH11 ARG 9 48.050 12.667 -4.027 102 HH12 ARG 9 HH12 ARG 9 48.414 14.174 -3.255 103 HH21 ARG 9 HH21 ARG 9 51.709 13.334 -2.577 104 HH22 ARG 9 HH22 ARG 9 50.487 14.552 -2.435 105 H ARG 10 HN ARG 10 49.779 5.975 -0.280 106 HA ARG 10 HA ARG 10 48.523 3.646 -1.204 107 HB2 ARG 10 HB2 ARG 10 48.061 3.335 1.432 108 HB3 ARG 10 HB1 ARG 10 49.709 3.276 0.769 109 HG2 ARG 10 HG2 ARG 10 50.187 5.514 1.432 110 HG3 ARG 10 HG1 ARG 10 48.475 5.886 1.729 111 HD2 ARG 10 HD2 ARG 10 48.462 4.246 3.604 112 HD3 ARG 10 HD1 ARG 10 50.189 3.922 3.316 113 HE ARG 10 HE ARG 10 49.979 6.705 3.659 114 HH11 ARG 10 HH11 ARG 10 47.890 6.346 5.624 115 HH12 ARG 10 HH12 ARG 10 48.741 5.958 7.081 116 HH21 ARG 10 HH21 ARG 10 51.686 5.121 5.451 117 HH22 ARG 10 HH22 ARG 10 50.891 5.264 6.983 118 H ILE 11 HN ILE 11 46.910 5.063 1.591 119 HA ILE 11 HA ILE 11 44.300 4.648 0.236 120 HB ILE 11 HB ILE 11 43.370 5.294 2.501 121 HG12 ILE 11 HG12 ILE 11 46.201 4.973 3.586 122 HG13 ILE 11 HG11 ILE 11 45.649 6.572 3.048 123 HG21 ILE 11 HG21 ILE 11 43.786 2.937 1.794 124 HG22 ILE 11 HG22 ILE 11 43.992 3.153 3.547 125 HG23 ILE 11 HG23 ILE 11 45.419 3.029 2.492 126 HD11 ILE 11 HD1 ILE 11 43.679 6.384 4.573 127 HD12 ILE 11 HD2 ILE 11 45.229 6.327 5.446 128 HD13 ILE 11 HD3 ILE 11 44.313 4.830 5.164 129 H GLY 12 HN GLY 12 46.602 7.125 0.586 130 HA2 GLY 12 HA1 GLY 12 44.927 9.391 1.052 131 HA3 GLY 12 HA2 GLY 12 46.478 9.404 0.182 132 H LYS 13 HN LYS 13 45.781 7.620 -1.903 133 HA LYS 13 HA LYS 13 44.723 9.365 -3.838 134 HB2 LYS 13 HB2 LYS 13 45.908 7.310 -4.421 135 HB3 LYS 13 HB1 LYS 13 44.617 6.326 -3.690 136 HG2 LYS 13 HG2 LYS 13 43.030 6.990 -5.367 137 HG3 LYS 13 HG1 LYS 13 44.101 8.278 -5.968 138 HD2 LYS 13 HD2 LYS 13 44.095 6.237 -7.436 139 HD3 LYS 13 HD1 LYS 13 45.706 6.629 -6.791 140 HE2 LYS 13 HE2 LYS 13 45.643 4.850 -5.220 141 HE3 LYS 13 HE1 LYS 13 43.876 4.672 -5.352 142 HZ1 LYS 13 HZ1 LYS 13 44.088 3.359 -7.127 143 HZ2 LYS 13 HZ2 LYS 13 45.725 3.204 -6.698 144 HZ3 LYS 13 HZ3 LYS 13 45.253 4.350 -7.861 145 H GLY 14 HN GLY 14 43.159 7.762 -1.259 146 HA2 GLY 14 HA1 GLY 14 40.469 7.895 -2.546 147 HA3 GLY 14 HA2 GLY 14 40.880 7.103 -1.013 148 H VAL 15 HN VAL 15 42.319 9.214 0.243 149 HA VAL 15 HA VAL 15 40.051 11.171 0.666 150 HB VAL 15 HB VAL 15 41.003 11.454 2.966 151 HG11 VAL 15 HG11 VAL 15 40.078 9.356 3.830 152 HG12 VAL 15 HG12 VAL 15 40.265 8.587 2.236 153 HG13 VAL 15 HG13 VAL 15 39.099 9.914 2.452 154 HG21 VAL 15 HG21 VAL 15 43.290 10.735 2.664 155 HG22 VAL 15 HG22 VAL 15 42.775 9.158 2.020 156 HG23 VAL 15 HG23 VAL 15 42.520 9.545 3.737 157 H LYS 16 HN LYS 16 43.629 10.821 0.581 158 HA LYS 16 HA LYS 16 44.310 13.497 1.079 159 HB2 LYS 16 HB2 LYS 16 45.942 11.637 0.774 160 HB3 LYS 16 HB1 LYS 16 45.624 11.675 -0.976 161 HG2 LYS 16 HG2 LYS 16 46.464 13.930 -1.165 162 HG3 LYS 16 HG1 LYS 16 46.547 14.110 0.604 163 HD2 LYS 16 HD2 LYS 16 48.244 12.279 0.685 164 HD3 LYS 16 HD1 LYS 16 48.201 12.190 -1.092 165 HE2 LYS 16 HE2 LYS 16 48.947 14.525 -1.260 166 HE3 LYS 16 HE1 LYS 16 48.914 14.684 0.512 167 HZ1 LYS 16 HZ1 LYS 16 50.771 13.417 0.750 168 HZ2 LYS 16 HZ2 LYS 16 51.106 14.067 -0.783 169 HZ3 LYS 16 HZ3 LYS 16 50.484 12.493 -0.643 170 H ILE 17 HN ILE 17 43.730 12.006 -2.147 171 HA ILE 17 HA ILE 17 43.713 14.637 -3.431 172 HB ILE 17 HB ILE 17 44.449 12.413 -4.492 173 HG12 ILE 17 HG12 ILE 17 43.095 13.058 -6.732 174 HG13 ILE 17 HG11 ILE 17 42.611 14.468 -5.768 175 HG21 ILE 17 HG21 ILE 17 42.137 11.346 -3.663 176 HG22 ILE 17 HG22 ILE 17 42.910 10.797 -5.166 177 HG23 ILE 17 HG23 ILE 17 41.554 11.940 -5.236 178 HD11 ILE 17 HD1 ILE 17 44.987 15.023 -5.360 179 HD12 ILE 17 HD2 ILE 17 44.659 14.913 -7.104 180 HD13 ILE 17 HD3 ILE 17 45.489 13.579 -6.270 181 H ILE 18 HN ILE 18 41.898 14.502 -1.277 182 HA ILE 18 HA ILE 18 39.619 14.620 -0.731 183 HB ILE 18 HB ILE 18 38.473 16.469 -2.044 184 HG12 ILE 18 HG12 ILE 18 41.149 16.587 -3.520 185 HG13 ILE 18 HG11 ILE 18 39.656 15.930 -4.227 186 HG21 ILE 18 HG21 ILE 18 39.923 18.201 -1.171 187 HG22 ILE 18 HG22 ILE 18 41.336 17.120 -1.219 188 HG23 ILE 18 HG23 ILE 18 40.021 16.820 -0.058 189 HD11 ILE 18 HD1 ILE 18 38.591 18.231 -3.586 190 HD12 ILE 18 HD2 ILE 18 39.692 18.173 -4.981 191 HD13 ILE 18 HD3 ILE 18 40.274 18.789 -3.418 192 H GLY 19 HN GLY 19 39.691 12.250 -1.793 193 HA2 GLY 19 HA1 GLY 19 38.096 11.975 -4.209 194 HA3 GLY 19 HA2 GLY 19 38.564 10.682 -3.088 195 H GLY 20 HN GLY 20 36.140 10.442 -4.131 196 HA2 GLY 20 HA1 GLY 20 33.978 11.794 -2.976 197 HA3 GLY 20 HA2 GLY 20 33.951 10.091 -3.473 198 H ALA 21 HN ALA 21 36.261 9.687 -1.460 199 HA ALA 21 HA ALA 21 34.654 8.645 0.654 200 HB1 ALA 21 HB1 ALA 21 37.595 9.396 0.569 201 HB2 ALA 21 HB2 ALA 21 36.881 7.799 0.236 202 HB3 ALA 21 HB3 ALA 21 36.829 8.471 1.883 203 H ALA 22 HN ALA 22 36.742 11.569 0.564 204 HA ALA 22 HA ALA 22 35.810 12.471 3.170 205 HB1 ALA 22 HB1 ALA 22 37.218 14.005 0.957 206 HB2 ALA 22 HB2 ALA 22 38.027 13.060 2.229 207 HB3 ALA 22 HB3 ALA 22 37.073 14.500 2.660 208 H LEU 23 HN LEU 23 35.049 13.248 -0.227 209 HA LEU 23 HA LEU 23 33.115 15.327 0.553 210 HB2 LEU 23 HB2 LEU 23 33.341 14.023 -2.180 211 HB3 LEU 23 HB1 LEU 23 32.823 15.677 -1.770 212 HG LEU 23 HG LEU 23 35.637 14.529 -1.498 213 HD11 LEU 23 HD11 LEU 23 34.465 16.729 -3.260 214 HD12 LEU 23 HD12 LEU 23 34.948 15.105 -3.808 215 HD13 LEU 23 HD13 LEU 23 36.177 16.243 -3.206 216 HD21 LEU 23 HD21 LEU 23 36.160 16.993 -0.927 217 HD22 LEU 23 HD22 LEU 23 35.353 16.042 0.340 218 HD23 LEU 23 HD23 LEU 23 34.412 17.187 -0.647 219 H ASP 24 HN ASP 24 32.269 13.322 2.016 220 HA ASP 24 HA ASP 24 29.626 12.790 0.975 221 HB2 ASP 24 HB2 ASP 24 30.912 11.103 -0.348 222 HB3 ASP 24 HB1 ASP 24 31.471 10.376 1.177 223 H HIS 25 HN HIS 25 32.175 12.470 3.307 224 HA HIS 25 HA HIS 25 30.568 11.101 5.327 225 HB2 HIS 25 HB2 HIS 25 33.102 11.089 5.190 226 HB3 HIS 25 HB1 HIS 25 33.071 12.781 5.738 227 HD1 HIS 25 HD1 HIS 25 32.970 13.170 8.214 228 HD2 HIS 25 HD2 HIS 25 31.854 9.255 7.160 229 HE1 HIS 25 HE1 HIS 25 32.585 11.876 10.384 230 H LEU 26 HN LEU 26 29.220 13.368 4.181 231 HA LEU 26 HA LEU 26 28.427 14.666 6.649 232 HB2 LEU 26 HB2 LEU 26 29.145 16.903 6.257 233 HB3 LEU 26 HB1 LEU 26 30.584 15.888 6.033 234 HG LEU 26 HG LEU 26 28.839 17.136 3.863 235 HD11 LEU 26 HD11 LEU 26 30.618 18.516 5.036 236 HD12 LEU 26 HD12 LEU 26 30.852 18.336 3.280 237 HD13 LEU 26 HD13 LEU 26 31.825 17.367 4.413 238 HD21 LEU 26 HD21 LEU 26 31.012 15.004 3.706 239 HD22 LEU 26 HD22 LEU 26 30.606 16.043 2.321 240 HD23 LEU 26 HD23 LEU 26 29.376 14.959 3.007 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 53.231 1.296 -1.241 2 H2 GLY 1 HT2 GLY 1 52.777 -0.188 -1.934 3 H3 GLY 1 HT3 GLY 1 54.052 0.713 -2.603 4 HA2 GLY 1 HA1 GLY 1 54.018 -0.511 0.075 5 HA3 GLY 1 HA2 GLY 1 54.846 -1.165 -1.352 6 H ARG 2 HN ARG 2 54.546 1.973 0.381 7 HA ARG 2 HA ARG 2 56.171 3.560 0.862 8 HB2 ARG 2 HB2 ARG 2 57.987 1.136 1.149 9 HB3 ARG 2 HB1 ARG 2 58.185 2.728 1.922 10 HG2 ARG 2 HG2 ARG 2 56.042 2.405 3.131 11 HG3 ARG 2 HG1 ARG 2 55.860 0.804 2.372 12 HD2 ARG 2 HD2 ARG 2 56.823 0.631 4.661 13 HD3 ARG 2 HD1 ARG 2 57.959 0.046 3.421 14 HE ARG 2 HE ARG 2 58.396 2.853 3.976 15 HH11 ARG 2 HH11 ARG 2 59.652 -0.244 4.211 16 HH12 ARG 2 HH12 ARG 2 60.717 0.093 5.534 17 HH21 ARG 2 HH21 ARG 2 59.432 3.263 6.107 18 HH22 ARG 2 HH22 ARG 2 60.593 2.079 6.607 19 H ARG 3 HN ARG 3 55.792 3.492 -1.789 20 HA ARG 3 HA ARG 3 58.181 2.892 -3.305 21 HB2 ARG 3 HB2 ARG 3 55.785 4.676 -3.882 22 HB3 ARG 3 HB1 ARG 3 57.068 4.317 -5.062 23 HG2 ARG 3 HG2 ARG 3 56.602 1.868 -4.754 24 HG3 ARG 3 HG1 ARG 3 55.237 2.298 -3.696 25 HD2 ARG 3 HD2 ARG 3 54.400 1.904 -5.962 26 HD3 ARG 3 HD1 ARG 3 54.255 3.636 -5.579 27 HE ARG 3 HE ARG 3 56.769 3.259 -6.841 28 HH11 ARG 3 HH11 ARG 3 56.890 2.746 -9.127 29 HH12 ARG 3 HH12 ARG 3 55.520 3.166 -10.099 30 HH21 ARG 3 HH21 ARG 3 53.484 3.892 -7.388 31 HH22 ARG 3 HH22 ARG 3 53.592 3.817 -9.115 32 H LYS 4 HN LYS 4 57.383 5.366 -1.102 33 HA LYS 4 HA LYS 4 59.816 6.901 -1.932 34 HB2 LYS 4 HB2 LYS 4 57.110 8.188 -1.374 35 HB3 LYS 4 HB1 LYS 4 58.640 9.038 -1.695 36 HG2 LYS 4 HG2 LYS 4 58.751 7.887 -3.930 37 HG3 LYS 4 HG1 LYS 4 57.151 7.184 -3.602 38 HD2 LYS 4 HD2 LYS 4 56.849 9.179 -4.966 39 HD3 LYS 4 HD1 LYS 4 56.226 9.502 -3.334 40 HE2 LYS 4 HE2 LYS 4 59.112 10.212 -3.873 41 HE3 LYS 4 HE1 LYS 4 57.856 11.247 -4.590 42 HZ1 LYS 4 HZ1 LYS 4 57.120 10.679 -1.947 43 HZ2 LYS 4 HZ2 LYS 4 57.553 12.176 -2.625 44 HZ3 LYS 4 HZ3 LYS 4 58.740 11.178 -1.930 45 H ARG 5 HN ARG 5 57.169 7.635 0.358 46 HA ARG 5 HA ARG 5 58.568 6.633 2.673 47 HB2 ARG 5 HB2 ARG 5 60.019 8.633 2.002 48 HB3 ARG 5 HB1 ARG 5 58.618 9.658 2.377 49 HG2 ARG 5 HG2 ARG 5 59.711 9.700 4.445 50 HG3 ARG 5 HG1 ARG 5 58.646 8.301 4.694 51 HD2 ARG 5 HD2 ARG 5 60.834 7.622 5.417 52 HD3 ARG 5 HD1 ARG 5 60.586 6.846 3.837 53 HE ARG 5 HE ARG 5 62.409 8.110 3.055 54 HH11 ARG 5 HH11 ARG 5 63.315 10.228 2.752 55 HH12 ARG 5 HH12 ARG 5 63.408 11.265 4.136 56 HH21 ARG 5 HH21 ARG 5 61.491 9.193 6.150 57 HH22 ARG 5 HH22 ARG 5 62.375 10.680 6.059 58 H LYS 6 HN LYS 6 56.111 6.047 2.138 59 HA LYS 6 HA LYS 6 53.899 6.223 2.824 60 HB2 LYS 6 HB2 LYS 6 55.244 7.652 5.151 61 HB3 LYS 6 HB1 LYS 6 53.563 7.067 5.148 62 HG2 LYS 6 HG2 LYS 6 54.365 4.758 4.736 63 HG3 LYS 6 HG1 LYS 6 56.047 5.342 4.748 64 HD2 LYS 6 HD2 LYS 6 55.631 6.233 7.085 65 HD3 LYS 6 HD1 LYS 6 54.056 5.404 7.055 66 HE2 LYS 6 HE2 LYS 6 55.141 3.240 6.750 67 HE3 LYS 6 HE1 LYS 6 56.734 4.019 6.598 68 HZ1 LYS 6 HZ1 LYS 6 55.144 3.485 8.972 69 HZ2 LYS 6 HZ2 LYS 6 55.889 5.011 8.930 70 HZ3 LYS 6 HZ3 LYS 6 56.826 3.602 8.792 71 H TRP 7 HN TRP 7 53.958 7.820 0.867 72 HA TRP 7 HA TRP 7 52.233 10.022 1.581 73 HB2 TRP 7 HB2 TRP 7 54.395 11.018 2.312 74 HB3 TRP 7 HB1 TRP 7 55.036 10.786 0.666 75 HD1 TRP 7 HD1 TRP 7 51.870 12.397 2.248 76 HE1 TRP 7 HE1 TRP 7 51.333 14.604 0.984 77 HE3 TRP 7 HE3 TRP 7 55.633 12.275 -1.223 78 HZ2 TRP 7 HZ2 TRP 7 52.412 16.090 -1.234 79 HZ3 TRP 7 HZ3 TRP 7 55.859 14.098 -2.904 80 HH2 TRP 7 HH2 TRP 7 54.253 16.004 -2.913 81 H LEU 8 HN LEU 8 53.140 7.690 -0.380 82 HA LEU 8 HA LEU 8 53.134 8.985 -2.980 83 HB2 LEU 8 HB2 LEU 8 52.408 6.451 -3.604 84 HB3 LEU 8 HB1 LEU 8 54.081 6.876 -3.190 85 HG LEU 8 HG LEU 8 52.206 6.147 -0.917 86 HD11 LEU 8 HD11 LEU 8 51.727 4.347 -2.462 87 HD12 LEU 8 HD12 LEU 8 52.865 3.725 -1.243 88 HD13 LEU 8 HD13 LEU 8 53.450 4.163 -2.867 89 HD21 LEU 8 HD21 LEU 8 54.713 6.906 -0.756 90 HD22 LEU 8 HD22 LEU 8 55.093 5.281 -1.364 91 HD23 LEU 8 HD23 LEU 8 54.211 5.473 0.168 92 H ARG 9 HN ARG 9 50.796 6.433 -2.326 93 HA ARG 9 HA ARG 9 48.499 8.196 -2.180 94 HB2 ARG 9 HB2 ARG 9 47.577 7.311 -4.474 95 HB3 ARG 9 HB1 ARG 9 48.705 8.683 -4.472 96 HG2 ARG 9 HG2 ARG 9 49.325 7.006 -6.190 97 HG3 ARG 9 HG1 ARG 9 50.591 7.162 -4.954 98 HD2 ARG 9 HD2 ARG 9 50.031 5.090 -3.949 99 HD3 ARG 9 HD1 ARG 9 48.419 5.049 -4.709 100 HE ARG 9 HE ARG 9 50.277 5.026 -6.823 101 HH11 ARG 9 HH11 ARG 9 50.487 3.009 -7.867 102 HH12 ARG 9 HH12 ARG 9 50.552 1.572 -6.903 103 HH21 ARG 9 HH21 ARG 9 49.931 3.226 -3.918 104 HH22 ARG 9 HH22 ARG 9 50.237 1.694 -4.669 105 H ARG 10 HN ARG 10 49.799 5.761 -0.997 106 HA ARG 10 HA ARG 10 48.514 3.364 -1.574 107 HB2 ARG 10 HB2 ARG 10 48.767 2.816 0.847 108 HB3 ARG 10 HB1 ARG 10 50.228 3.550 0.145 109 HG2 ARG 10 HG2 ARG 10 49.123 5.833 1.014 110 HG3 ARG 10 HG1 ARG 10 48.239 4.736 2.101 111 HD2 ARG 10 HD2 ARG 10 50.517 3.729 2.721 112 HD3 ARG 10 HD1 ARG 10 51.246 5.117 1.880 113 HE ARG 10 HE ARG 10 50.002 5.188 4.496 114 HH11 ARG 10 HH11 ARG 10 51.825 7.155 4.568 115 HH12 ARG 10 HH12 ARG 10 51.089 8.609 3.983 116 HH21 ARG 10 HH21 ARG 10 48.452 6.969 2.441 117 HH22 ARG 10 HH22 ARG 10 49.179 8.504 2.780 118 H ILE 11 HN ILE 11 47.333 5.740 0.847 119 HA ILE 11 HA ILE 11 44.527 4.779 0.283 120 HB ILE 11 HB ILE 11 43.967 5.503 2.590 121 HG12 ILE 11 HG12 ILE 11 46.706 5.529 3.707 122 HG13 ILE 11 HG11 ILE 11 46.538 6.813 2.492 123 HG21 ILE 11 HG21 ILE 11 44.428 3.165 2.241 124 HG22 ILE 11 HG22 ILE 11 45.219 3.632 3.765 125 HG23 ILE 11 HG23 ILE 11 46.186 3.440 2.283 126 HD11 ILE 11 HD1 ILE 11 45.924 7.583 4.779 127 HD12 ILE 11 HD2 ILE 11 44.635 6.358 4.835 128 HD13 ILE 11 HD3 ILE 11 44.551 7.686 3.652 129 H GLY 12 HN GLY 12 46.843 7.258 0.172 130 HA2 GLY 12 HA1 GLY 12 45.238 9.569 0.602 131 HA3 GLY 12 HA2 GLY 12 46.659 9.480 -0.464 132 H LYS 13 HN LYS 13 45.576 7.372 -2.135 133 HA LYS 13 HA LYS 13 44.365 8.876 -4.179 134 HB2 LYS 13 HB2 LYS 13 45.302 6.584 -4.436 135 HB3 LYS 13 HB1 LYS 13 43.907 5.940 -3.537 136 HG2 LYS 13 HG2 LYS 13 42.364 6.657 -5.236 137 HG3 LYS 13 HG1 LYS 13 43.614 7.625 -6.054 138 HD2 LYS 13 HD2 LYS 13 43.190 5.457 -7.224 139 HD3 LYS 13 HD1 LYS 13 44.863 5.589 -6.632 140 HE2 LYS 13 HE2 LYS 13 43.600 3.355 -6.200 141 HE3 LYS 13 HE1 LYS 13 44.472 4.086 -4.832 142 HZ1 LYS 13 HZ1 LYS 13 41.684 4.884 -5.256 143 HZ2 LYS 13 HZ2 LYS 13 42.548 4.673 -3.808 144 HZ3 LYS 13 HZ3 LYS 13 41.961 3.323 -4.657 145 H GLY 14 HN GLY 14 43.069 7.772 -1.195 146 HA2 GLY 14 HA1 GLY 14 40.243 8.044 -2.123 147 HA3 GLY 14 HA2 GLY 14 40.798 7.370 -0.580 148 H VAL 15 HN VAL 15 42.525 9.360 0.333 149 HA VAL 15 HA VAL 15 40.519 11.548 0.872 150 HB VAL 15 HB VAL 15 42.008 12.060 2.852 151 HG11 VAL 15 HG11 VAL 15 41.168 10.174 4.182 152 HG12 VAL 15 HG12 VAL 15 40.906 9.219 2.702 153 HG13 VAL 15 HG13 VAL 15 39.934 10.679 3.004 154 HG21 VAL 15 HG21 VAL 15 44.095 11.034 2.079 155 HG22 VAL 15 HG22 VAL 15 43.306 9.442 1.964 156 HG23 VAL 15 HG23 VAL 15 43.554 10.200 3.554 157 H LYS 16 HN LYS 16 43.959 10.981 0.024 158 HA LYS 16 HA LYS 16 44.685 13.746 -0.064 159 HB2 LYS 16 HB2 LYS 16 46.272 11.786 -0.101 160 HB3 LYS 16 HB1 LYS 16 45.820 11.525 -1.803 161 HG2 LYS 16 HG2 LYS 16 46.571 13.793 -2.380 162 HG3 LYS 16 HG1 LYS 16 46.963 14.117 -0.674 163 HD2 LYS 16 HD2 LYS 16 48.576 12.188 -0.733 164 HD3 LYS 16 HD1 LYS 16 48.256 12.026 -2.477 165 HE2 LYS 16 HE2 LYS 16 50.286 13.375 -2.110 166 HE3 LYS 16 HE1 LYS 16 48.999 14.382 -2.814 167 HZ1 LYS 16 HZ1 LYS 16 50.376 14.799 -0.434 168 HZ2 LYS 16 HZ2 LYS 16 48.788 14.387 0.004 169 HZ3 LYS 16 HZ3 LYS 16 49.071 15.693 -1.045 170 H ILE 17 HN ILE 17 43.030 11.636 -2.373 171 HA ILE 17 HA ILE 17 43.342 13.385 -4.644 172 HB ILE 17 HB ILE 17 42.593 10.897 -4.597 173 HG12 ILE 17 HG12 ILE 17 40.937 12.825 -6.293 174 HG13 ILE 17 HG11 ILE 17 42.621 12.379 -6.640 175 HG21 ILE 17 HG21 ILE 17 40.276 10.395 -4.321 176 HG22 ILE 17 HG22 ILE 17 39.820 12.115 -4.324 177 HG23 ILE 17 HG23 ILE 17 40.701 11.429 -2.938 178 HD11 ILE 17 HD1 ILE 17 40.156 10.605 -6.668 179 HD12 ILE 17 HD2 ILE 17 41.799 9.924 -6.586 180 HD13 ILE 17 HD3 ILE 17 41.312 10.913 -7.982 181 H ILE 18 HN ILE 18 42.022 14.103 -1.770 182 HA ILE 18 HA ILE 18 40.563 15.738 -1.044 183 HB ILE 18 HB ILE 18 40.342 16.683 -3.934 184 HG12 ILE 18 HG12 ILE 18 42.776 16.389 -3.054 185 HG13 ILE 18 HG11 ILE 18 42.322 17.971 -3.710 186 HG21 ILE 18 HG21 ILE 18 38.739 17.754 -2.517 187 HG22 ILE 18 HG22 ILE 18 40.069 18.916 -2.741 188 HG23 ILE 18 HG23 ILE 18 39.935 17.999 -1.222 189 HD11 ILE 18 HD1 ILE 18 42.208 17.329 -0.732 190 HD12 ILE 18 HD2 ILE 18 42.102 18.924 -1.508 191 HD13 ILE 18 HD3 ILE 18 43.636 18.026 -1.524 192 H GLY 19 HN GLY 19 38.977 14.231 -0.479 193 HA2 GLY 19 HA1 GLY 19 36.466 14.621 -1.912 194 HA3 GLY 19 HA2 GLY 19 37.115 12.980 -2.102 195 H GLY 20 HN GLY 20 37.922 12.009 0.083 196 HA2 GLY 20 HA1 GLY 20 35.585 11.824 1.761 197 HA3 GLY 20 HA2 GLY 20 37.170 11.086 2.070 198 H ALA 21 HN ALA 21 38.750 13.432 2.109 199 HA ALA 21 HA ALA 21 38.557 14.176 4.821 200 HB1 ALA 21 HB1 ALA 21 39.671 15.893 2.579 201 HB2 ALA 21 HB2 ALA 21 40.528 14.510 3.305 202 HB3 ALA 21 HB3 ALA 21 40.129 15.932 4.299 203 H ALA 22 HN ALA 22 37.539 16.088 1.947 204 HA ALA 22 HA ALA 22 36.333 18.188 3.473 205 HB1 ALA 22 HB1 ALA 22 35.180 18.750 1.356 206 HB2 ALA 22 HB2 ALA 22 35.712 17.198 0.669 207 HB3 ALA 22 HB3 ALA 22 36.913 18.434 1.110 208 H LEU 23 HN LEU 23 35.183 15.030 2.406 209 HA LEU 23 HA LEU 23 32.382 15.601 3.033 210 HB2 LEU 23 HB2 LEU 23 33.328 13.858 1.362 211 HB3 LEU 23 HB1 LEU 23 33.658 12.855 2.790 212 HG LEU 23 HG LEU 23 31.109 13.370 3.391 213 HD11 LEU 23 HD11 LEU 23 29.719 13.501 1.296 214 HD12 LEU 23 HD12 LEU 23 31.202 13.831 0.372 215 HD13 LEU 23 HD13 LEU 23 30.648 14.982 1.610 216 HD21 LEU 23 HD21 LEU 23 30.424 11.359 2.097 217 HD22 LEU 23 HD22 LEU 23 32.003 11.125 2.883 218 HD23 LEU 23 HD23 LEU 23 31.919 11.474 1.139 219 H ASP 24 HN ASP 24 33.991 16.364 5.184 220 HA ASP 24 HA ASP 24 32.694 14.936 7.330 221 HB2 ASP 24 HB2 ASP 24 34.387 13.220 6.828 222 HB3 ASP 24 HB1 ASP 24 35.677 14.436 6.984 223 H HIS 25 HN HIS 25 35.336 17.026 6.220 224 HA HIS 25 HA HIS 25 36.245 18.948 7.155 225 HB2 HIS 25 HB2 HIS 25 33.917 19.715 6.698 226 HB3 HIS 25 HB1 HIS 25 33.457 19.229 8.347 227 HD1 HIS 25 HD1 HIS 25 33.710 20.974 10.112 228 HD2 HIS 25 HD2 HIS 25 36.109 21.760 6.750 229 HE1 HIS 25 HE1 HIS 25 34.876 23.212 10.515 230 H LEU 26 HN LEU 26 37.751 17.921 8.514 231 HA LEU 26 HA LEU 26 37.209 16.871 11.087 232 HB2 LEU 26 HB2 LEU 26 39.651 18.177 9.841 233 HB3 LEU 26 HB1 LEU 26 39.676 17.622 11.531 234 HG LEU 26 HG LEU 26 39.056 15.344 10.811 235 HD11 LEU 26 HD11 LEU 26 38.992 16.656 8.064 236 HD12 LEU 26 HD12 LEU 26 37.722 15.694 8.860 237 HD13 LEU 26 HD13 LEU 26 39.198 14.898 8.267 238 HD21 LEU 26 HD21 LEU 26 41.457 16.032 10.911 239 HD22 LEU 26 HD22 LEU 26 41.380 16.478 9.189 240 HD23 LEU 26 HD23 LEU 26 41.168 14.781 9.680 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 56.564 -0.062 -2.408 2 H2 GLY 1 HT2 GLY 1 55.423 -0.147 -3.664 3 H3 GLY 1 HT3 GLY 1 55.739 1.335 -2.895 4 HA2 GLY 1 HA1 GLY 1 57.780 -0.189 -4.357 5 HA3 GLY 1 HA2 GLY 1 56.744 1.029 -5.127 6 H ARG 2 HN ARG 2 56.875 2.240 -2.177 7 HA ARG 2 HA ARG 2 58.043 4.009 -1.240 8 HB2 ARG 2 HB2 ARG 2 60.508 2.681 -2.427 9 HB3 ARG 2 HB1 ARG 2 60.436 3.769 -1.020 10 HG2 ARG 2 HG2 ARG 2 59.019 2.116 0.178 11 HG3 ARG 2 HG1 ARG 2 59.128 1.021 -1.221 12 HD2 ARG 2 HD2 ARG 2 61.562 0.877 -0.966 13 HD3 ARG 2 HD1 ARG 2 61.518 2.059 0.364 14 HE ARG 2 HE ARG 2 60.990 -0.757 0.625 15 HH11 ARG 2 HH11 ARG 2 59.416 -1.454 2.192 16 HH12 ARG 2 HH12 ARG 2 58.990 -0.340 3.447 17 HH21 ARG 2 HH21 ARG 2 60.649 2.337 1.998 18 HH22 ARG 2 HH22 ARG 2 59.688 1.807 3.338 19 H ARG 3 HN ARG 3 56.885 5.212 -3.039 20 HA ARG 3 HA ARG 3 58.512 6.073 -5.312 21 HB2 ARG 3 HB2 ARG 3 56.023 5.944 -5.386 22 HB3 ARG 3 HB1 ARG 3 55.942 7.255 -4.186 23 HG2 ARG 3 HG2 ARG 3 57.056 8.798 -5.697 24 HG3 ARG 3 HG1 ARG 3 57.370 7.494 -6.866 25 HD2 ARG 3 HD2 ARG 3 54.995 7.219 -7.299 26 HD3 ARG 3 HD1 ARG 3 54.581 8.352 -5.989 27 HE ARG 3 HE ARG 3 56.297 9.564 -8.014 28 HH11 ARG 3 HH11 ARG 3 53.467 9.927 -6.354 29 HH12 ARG 3 HH12 ARG 3 52.548 10.594 -7.661 30 HH21 ARG 3 HH21 ARG 3 54.952 9.893 -10.059 31 HH22 ARG 3 HH22 ARG 3 53.389 10.575 -9.759 32 H LYS 4 HN LYS 4 57.770 7.242 -2.063 33 HA LYS 4 HA LYS 4 60.007 9.125 -2.207 34 HB2 LYS 4 HB2 LYS 4 58.668 11.148 -1.733 35 HB3 LYS 4 HB1 LYS 4 58.272 10.466 -3.329 36 HG2 LYS 4 HG2 LYS 4 56.361 9.199 -2.141 37 HG3 LYS 4 HG1 LYS 4 56.666 10.268 -0.751 38 HD2 LYS 4 HD2 LYS 4 56.017 11.206 -3.582 39 HD3 LYS 4 HD1 LYS 4 54.863 11.152 -2.229 40 HE2 LYS 4 HE2 LYS 4 56.571 12.636 -0.954 41 HE3 LYS 4 HE1 LYS 4 57.319 12.911 -2.546 42 HZ1 LYS 4 HZ1 LYS 4 54.430 13.210 -2.440 43 HZ2 LYS 4 HZ2 LYS 4 55.598 14.155 -3.234 44 HZ3 LYS 4 HZ3 LYS 4 55.310 14.372 -1.574 45 H ARG 5 HN ARG 5 59.331 6.833 -0.640 46 HA ARG 5 HA ARG 5 59.230 6.167 1.581 47 HB2 ARG 5 HB2 ARG 5 60.127 8.992 2.249 48 HB3 ARG 5 HB1 ARG 5 60.435 7.498 3.166 49 HG2 ARG 5 HG2 ARG 5 61.496 8.132 0.373 50 HG3 ARG 5 HG1 ARG 5 62.440 8.171 1.880 51 HD2 ARG 5 HD2 ARG 5 61.670 5.688 2.176 52 HD3 ARG 5 HD1 ARG 5 61.262 5.772 0.444 53 HE ARG 5 HE ARG 5 63.861 6.743 0.566 54 HH11 ARG 5 HH11 ARG 5 64.910 5.275 2.639 55 HH12 ARG 5 HH12 ARG 5 65.102 3.652 2.067 56 HH21 ARG 5 HH21 ARG 5 62.942 4.059 -0.616 57 HH22 ARG 5 HH22 ARG 5 63.989 2.964 0.224 58 H LYS 6 HN LYS 6 57.024 5.860 1.785 59 HA LYS 6 HA LYS 6 54.887 6.270 2.588 60 HB2 LYS 6 HB2 LYS 6 56.617 7.926 4.450 61 HB3 LYS 6 HB1 LYS 6 54.850 7.886 4.644 62 HG2 LYS 6 HG2 LYS 6 56.012 6.185 6.060 63 HG3 LYS 6 HG1 LYS 6 54.890 5.450 4.893 64 HD2 LYS 6 HD2 LYS 6 56.668 4.756 3.454 65 HD3 LYS 6 HD1 LYS 6 57.851 5.800 4.279 66 HE2 LYS 6 HE2 LYS 6 58.165 3.459 4.971 67 HE3 LYS 6 HE1 LYS 6 57.581 4.425 6.347 68 HZ1 LYS 6 HZ1 LYS 6 55.305 3.570 5.090 69 HZ2 LYS 6 HZ2 LYS 6 55.971 2.920 6.512 70 HZ3 LYS 6 HZ3 LYS 6 56.332 2.224 5.004 71 H TRP 7 HN TRP 7 53.199 7.997 3.028 72 HA TRP 7 HA TRP 7 51.993 9.799 2.255 73 HB2 TRP 7 HB2 TRP 7 53.901 11.077 3.307 74 HB3 TRP 7 HB1 TRP 7 54.665 11.145 1.702 75 HD1 TRP 7 HD1 TRP 7 54.016 13.132 0.264 76 HE1 TRP 7 HE1 TRP 7 52.092 14.880 0.204 77 HE3 TRP 7 HE3 TRP 7 51.097 11.249 4.025 78 HZ2 TRP 7 HZ2 TRP 7 49.628 15.365 1.614 79 HZ3 TRP 7 HZ3 TRP 7 48.963 12.371 4.650 80 HH2 TRP 7 HH2 TRP 7 48.228 14.425 3.450 81 H LEU 8 HN LEU 8 53.421 7.720 0.355 82 HA LEU 8 HA LEU 8 53.733 9.050 -2.164 83 HB2 LEU 8 HB2 LEU 8 52.996 6.638 -3.033 84 HB3 LEU 8 HB1 LEU 8 54.564 6.872 -2.241 85 HG LEU 8 HG LEU 8 52.270 6.263 -0.378 86 HD11 LEU 8 HD11 LEU 8 52.488 3.795 -0.856 87 HD12 LEU 8 HD12 LEU 8 53.373 4.211 -2.344 88 HD13 LEU 8 HD13 LEU 8 51.676 4.712 -2.147 89 HD21 LEU 8 HD21 LEU 8 55.015 4.961 -0.620 90 HD22 LEU 8 HD22 LEU 8 53.950 5.026 0.806 91 HD23 LEU 8 HD23 LEU 8 54.755 6.504 0.227 92 H ARG 9 HN ARG 9 51.051 6.759 -1.581 93 HA ARG 9 HA ARG 9 49.001 8.779 -1.957 94 HB2 ARG 9 HB2 ARG 9 48.115 7.789 -4.118 95 HB3 ARG 9 HB1 ARG 9 49.602 8.742 -4.275 96 HG2 ARG 9 HG2 ARG 9 49.924 6.755 -5.592 97 HG3 ARG 9 HG1 ARG 9 50.913 6.563 -4.134 98 HD2 ARG 9 HD2 ARG 9 49.535 4.879 -3.260 99 HD3 ARG 9 HD1 ARG 9 48.090 5.465 -4.118 100 HE ARG 9 HE ARG 9 48.667 3.874 -5.742 101 HH11 ARG 9 HH11 ARG 9 50.443 4.938 -7.461 102 HH12 ARG 9 HH12 ARG 9 51.997 4.246 -7.136 103 HH21 ARG 9 HH21 ARG 9 51.126 3.118 -3.975 104 HH22 ARG 9 HH22 ARG 9 52.383 3.215 -5.161 105 H ARG 10 HN ARG 10 50.012 6.296 -0.429 106 HA ARG 10 HA ARG 10 48.408 4.070 -0.642 107 HB2 ARG 10 HB2 ARG 10 48.341 4.284 2.045 108 HB3 ARG 10 HB1 ARG 10 49.853 3.938 1.176 109 HG2 ARG 10 HG2 ARG 10 50.617 6.180 1.342 110 HG3 ARG 10 HG1 ARG 10 49.003 6.803 1.748 111 HD2 ARG 10 HD2 ARG 10 50.543 6.675 3.731 112 HD3 ARG 10 HD1 ARG 10 49.070 5.694 3.926 113 HE ARG 10 HE ARG 10 51.310 4.182 2.805 114 HH11 ARG 10 HH11 ARG 10 49.440 2.766 4.489 115 HH12 ARG 10 HH12 ARG 10 50.230 2.683 6.027 116 HH21 ARG 10 HH21 ARG 10 52.495 5.207 5.298 117 HH22 ARG 10 HH22 ARG 10 51.959 4.065 6.486 118 H ILE 11 HN ILE 11 47.357 6.181 1.987 119 HA ILE 11 HA ILE 11 44.559 5.570 1.357 120 HB ILE 11 HB ILE 11 45.286 5.662 3.711 121 HG12 ILE 11 HG12 ILE 11 43.581 7.153 4.625 122 HG13 ILE 11 HG11 ILE 11 43.518 8.087 3.117 123 HG21 ILE 11 HG21 ILE 11 45.892 8.600 3.159 124 HG22 ILE 11 HG22 ILE 11 47.113 7.323 3.372 125 HG23 ILE 11 HG23 ILE 11 46.045 7.769 4.724 126 HD11 ILE 11 HD1 ILE 11 42.417 6.351 1.942 127 HD12 ILE 11 HD2 ILE 11 41.680 6.260 3.557 128 HD13 ILE 11 HD3 ILE 11 42.950 5.103 3.094 129 H GLY 12 HN GLY 12 46.850 8.050 0.625 130 HA2 GLY 12 HA1 GLY 12 45.250 10.343 0.441 131 HA3 GLY 12 HA2 GLY 12 46.618 9.985 -0.635 132 H LYS 13 HN LYS 13 45.822 7.934 -2.178 133 HA LYS 13 HA LYS 13 44.250 9.030 -4.186 134 HB2 LYS 13 HB2 LYS 13 43.838 6.745 -4.949 135 HB3 LYS 13 HB1 LYS 13 45.492 6.857 -4.292 136 HG2 LYS 13 HG2 LYS 13 44.458 6.118 -2.038 137 HG3 LYS 13 HG1 LYS 13 43.020 5.672 -2.985 138 HD2 LYS 13 HD2 LYS 13 44.630 4.311 -4.490 139 HD3 LYS 13 HD1 LYS 13 45.839 4.539 -3.203 140 HE2 LYS 13 HE2 LYS 13 43.156 3.118 -3.019 141 HE3 LYS 13 HE1 LYS 13 44.777 2.439 -2.742 142 HZ1 LYS 13 HZ1 LYS 13 43.797 4.695 -1.105 143 HZ2 LYS 13 HZ2 LYS 13 44.981 3.535 -0.734 144 HZ3 LYS 13 HZ3 LYS 13 43.337 3.107 -0.731 145 H GLY 14 HN GLY 14 43.234 7.962 -1.067 146 HA2 GLY 14 HA1 GLY 14 40.371 7.734 -1.836 147 HA3 GLY 14 HA2 GLY 14 41.086 7.396 -0.246 148 H VAL 15 HN VAL 15 42.588 9.794 0.085 149 HA VAL 15 HA VAL 15 40.328 11.782 0.373 150 HB VAL 15 HB VAL 15 41.733 12.745 2.249 151 HG11 VAL 15 HG11 VAL 15 41.038 11.016 3.876 152 HG12 VAL 15 HG12 VAL 15 40.823 9.848 2.549 153 HG13 VAL 15 HG13 VAL 15 39.773 11.283 2.653 154 HG21 VAL 15 HG21 VAL 15 43.370 11.073 3.282 155 HG22 VAL 15 HG22 VAL 15 43.921 11.830 1.772 156 HG23 VAL 15 HG23 VAL 15 43.289 10.166 1.755 157 H LYS 16 HN LYS 16 43.868 11.432 -0.167 158 HA LYS 16 HA LYS 16 44.356 14.148 -0.834 159 HB2 LYS 16 HB2 LYS 16 46.098 12.327 -0.510 160 HB3 LYS 16 HB1 LYS 16 45.700 11.756 -2.149 161 HG2 LYS 16 HG2 LYS 16 46.258 13.982 -3.069 162 HG3 LYS 16 HG1 LYS 16 46.644 14.566 -1.433 163 HD2 LYS 16 HD2 LYS 16 48.466 12.958 -1.230 164 HD3 LYS 16 HD1 LYS 16 48.027 12.209 -2.784 165 HE2 LYS 16 HE2 LYS 16 48.541 14.301 -3.970 166 HE3 LYS 16 HE1 LYS 16 48.909 15.107 -2.426 167 HZ1 LYS 16 HZ1 LYS 16 50.454 12.888 -2.335 168 HZ2 LYS 16 HZ2 LYS 16 50.986 14.427 -2.821 169 HZ3 LYS 16 HZ3 LYS 16 50.514 13.282 -3.984 170 H ILE 17 HN ILE 17 43.082 11.407 -2.790 171 HA ILE 17 HA ILE 17 43.238 12.614 -5.341 172 HB ILE 17 HB ILE 17 42.406 10.326 -5.023 173 HG12 ILE 17 HG12 ILE 17 40.052 11.832 -6.231 174 HG13 ILE 17 HG11 ILE 17 41.649 11.946 -7.002 175 HG21 ILE 17 HG21 ILE 17 40.031 9.993 -4.211 176 HG22 ILE 17 HG22 ILE 17 39.988 11.705 -3.756 177 HG23 ILE 17 HG23 ILE 17 41.134 10.604 -2.961 178 HD11 ILE 17 HD1 ILE 17 41.731 9.427 -7.085 179 HD12 ILE 17 HD2 ILE 17 40.412 10.132 -8.046 180 HD13 ILE 17 HD3 ILE 17 40.062 9.394 -6.469 181 H ILE 18 HN ILE 18 41.706 13.877 -2.620 182 HA ILE 18 HA ILE 18 40.409 15.755 -2.323 183 HB ILE 18 HB ILE 18 40.298 16.184 -5.342 184 HG12 ILE 18 HG12 ILE 18 42.482 16.927 -3.337 185 HG13 ILE 18 HG11 ILE 18 42.662 15.941 -4.802 186 HG21 ILE 18 HG21 ILE 18 40.330 18.207 -3.068 187 HG22 ILE 18 HG22 ILE 18 38.821 17.495 -3.687 188 HG23 ILE 18 HG23 ILE 18 39.853 18.464 -4.762 189 HD11 ILE 18 HD1 ILE 18 43.486 18.074 -5.434 190 HD12 ILE 18 HD2 ILE 18 42.170 18.927 -4.593 191 HD13 ILE 18 HD3 ILE 18 41.834 18.032 -6.096 192 H GLY 19 HN GLY 19 38.996 13.808 -1.800 193 HA2 GLY 19 HA1 GLY 19 36.813 13.285 -3.695 194 HA3 GLY 19 HA2 GLY 19 36.984 12.644 -2.050 195 H GLY 20 HN GLY 20 34.926 14.293 -3.854 196 HA2 GLY 20 HA1 GLY 20 34.413 16.635 -2.211 197 HA3 GLY 20 HA2 GLY 20 33.357 15.964 -3.469 198 H ALA 21 HN ALA 21 34.057 13.400 -1.560 199 HA ALA 21 HA ALA 21 31.420 13.475 -0.298 200 HB1 ALA 21 HB1 ALA 21 32.467 11.401 -1.195 201 HB2 ALA 21 HB2 ALA 21 31.996 11.257 0.516 202 HB3 ALA 21 HB3 ALA 21 33.704 11.507 0.079 203 H ALA 22 HN ALA 22 33.780 15.369 0.454 204 HA ALA 22 HA ALA 22 33.089 15.499 3.267 205 HB1 ALA 22 HB1 ALA 22 34.667 13.604 3.358 206 HB2 ALA 22 HB2 ALA 22 35.311 15.037 4.193 207 HB3 ALA 22 HB3 ALA 22 35.908 14.607 2.573 208 H LEU 23 HN LEU 23 35.594 16.282 0.827 209 HA LEU 23 HA LEU 23 36.109 18.905 2.043 210 HB2 LEU 23 HB2 LEU 23 37.009 17.500 -0.496 211 HB3 LEU 23 HB1 LEU 23 37.417 19.203 -0.181 212 HG LEU 23 HG LEU 23 38.527 18.589 1.919 213 HD11 LEU 23 HD11 LEU 23 37.291 16.737 2.752 214 HD12 LEU 23 HD12 LEU 23 38.864 16.038 2.310 215 HD13 LEU 23 HD13 LEU 23 37.461 15.822 1.234 216 HD21 LEU 23 HD21 LEU 23 39.394 16.752 -0.361 217 HD22 LEU 23 HD22 LEU 23 40.419 17.341 0.970 218 HD23 LEU 23 HD23 LEU 23 39.791 18.483 -0.243 219 H ASP 24 HN ASP 24 33.441 18.824 1.731 220 HA ASP 24 HA ASP 24 32.988 21.046 -0.105 221 HB2 ASP 24 HB2 ASP 24 32.899 19.090 -1.667 222 HB3 ASP 24 HB1 ASP 24 31.567 18.420 -0.696 223 H HIS 25 HN HIS 25 31.562 18.408 1.840 224 HA HIS 25 HA HIS 25 29.144 19.917 2.443 225 HB2 HIS 25 HB2 HIS 25 29.210 17.447 2.498 226 HB3 HIS 25 HB1 HIS 25 30.377 17.509 3.842 227 HD1 HIS 25 HD1 HIS 25 29.284 17.174 6.049 228 HD2 HIS 25 HD2 HIS 25 26.794 19.249 3.368 229 HE1 HIS 25 HE1 HIS 25 27.092 17.664 7.268 230 H LEU 26 HN LEU 26 32.384 19.841 3.659 231 HA LEU 26 HA LEU 26 32.144 20.483 6.351 232 HB2 LEU 26 HB2 LEU 26 34.187 22.086 5.835 233 HB3 LEU 26 HB1 LEU 26 34.353 20.333 5.591 234 HG LEU 26 HG LEU 26 33.948 20.564 3.198 235 HD11 LEU 26 HD11 LEU 26 32.327 22.321 3.055 236 HD12 LEU 26 HD12 LEU 26 33.781 22.960 2.259 237 HD13 LEU 26 HD13 LEU 26 33.382 23.467 3.918 238 HD21 LEU 26 HD21 LEU 26 35.872 22.761 4.066 239 HD22 LEU 26 HD22 LEU 26 35.952 21.776 2.586 240 HD23 LEU 26 HD23 LEU 26 36.247 21.025 4.172 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 55.898 -0.616 -4.723 2 H2 GLY 1 HT2 GLY 1 56.459 -0.847 -3.135 3 H3 GLY 1 HT3 GLY 1 57.523 -0.311 -4.348 4 HA2 GLY 1 HA1 GLY 1 56.171 1.691 -4.597 5 HA3 GLY 1 HA2 GLY 1 55.237 1.140 -3.192 6 H ARG 2 HN ARG 2 57.956 2.867 -4.284 7 HA ARG 2 HA ARG 2 58.668 3.556 -1.519 8 HB2 ARG 2 HB2 ARG 2 61.086 2.974 -1.813 9 HB3 ARG 2 HB1 ARG 2 60.023 1.558 -1.693 10 HG2 ARG 2 HG2 ARG 2 60.630 2.639 -4.464 11 HG3 ARG 2 HG1 ARG 2 61.916 1.757 -3.619 12 HD2 ARG 2 HD2 ARG 2 60.302 -0.153 -3.269 13 HD3 ARG 2 HD1 ARG 2 59.123 0.719 -4.276 14 HE ARG 2 HE ARG 2 61.365 -0.790 -5.265 15 HH11 ARG 2 HH11 ARG 2 58.720 0.703 -6.386 16 HH12 ARG 2 HH12 ARG 2 59.443 1.458 -7.767 17 HH21 ARG 2 HH21 ARG 2 62.693 0.797 -6.755 18 HH22 ARG 2 HH22 ARG 2 61.693 1.511 -7.977 19 H ARG 3 HN ARG 3 57.606 4.893 -3.868 20 HA ARG 3 HA ARG 3 59.780 6.436 -5.065 21 HB2 ARG 3 HB2 ARG 3 56.807 7.076 -5.002 22 HB3 ARG 3 HB1 ARG 3 58.020 7.684 -6.154 23 HG2 ARG 3 HG2 ARG 3 58.442 5.316 -6.884 24 HG3 ARG 3 HG1 ARG 3 57.110 4.792 -5.825 25 HD2 ARG 3 HD2 ARG 3 56.349 5.100 -8.174 26 HD3 ARG 3 HD1 ARG 3 55.536 6.228 -7.064 27 HE ARG 3 HE ARG 3 57.796 7.599 -8.024 28 HH11 ARG 3 HH11 ARG 3 55.240 8.840 -8.495 29 HH12 ARG 3 HH12 ARG 3 54.993 8.680 -10.203 30 HH21 ARG 3 HH21 ARG 3 57.378 6.191 -10.581 31 HH22 ARG 3 HH22 ARG 3 56.205 7.180 -11.383 32 H LYS 4 HN LYS 4 57.975 6.578 -2.123 33 HA LYS 4 HA LYS 4 59.486 8.899 -1.244 34 HB2 LYS 4 HB2 LYS 4 57.689 9.960 -2.671 35 HB3 LYS 4 HB1 LYS 4 56.485 9.292 -1.542 36 HG2 LYS 4 HG2 LYS 4 57.479 10.524 0.322 37 HG3 LYS 4 HG1 LYS 4 58.796 11.108 -0.724 38 HD2 LYS 4 HD2 LYS 4 57.265 12.409 -2.061 39 HD3 LYS 4 HD1 LYS 4 55.854 11.668 -1.270 40 HE2 LYS 4 HE2 LYS 4 56.329 13.942 -0.369 41 HE3 LYS 4 HE1 LYS 4 56.498 12.685 0.880 42 HZ1 LYS 4 HZ1 LYS 4 58.679 13.069 1.064 43 HZ2 LYS 4 HZ2 LYS 4 58.366 14.542 0.277 44 HZ3 LYS 4 HZ3 LYS 4 58.917 13.201 -0.611 45 H ARG 5 HN ARG 5 59.875 6.918 0.127 46 HA ARG 5 HA ARG 5 59.486 5.681 2.063 47 HB2 ARG 5 HB2 ARG 5 58.367 8.399 2.846 48 HB3 ARG 5 HB1 ARG 5 58.723 7.088 3.997 49 HG2 ARG 5 HG2 ARG 5 61.094 7.060 3.130 50 HG3 ARG 5 HG1 ARG 5 60.699 8.493 2.149 51 HD2 ARG 5 HD2 ARG 5 60.715 8.244 5.180 52 HD3 ARG 5 HD1 ARG 5 61.683 9.338 4.164 53 HE ARG 5 HE ARG 5 59.060 9.912 5.148 54 HH11 ARG 5 HH11 ARG 5 61.437 11.055 3.135 55 HH12 ARG 5 HH12 ARG 5 60.390 11.944 2.082 56 HH21 ARG 5 HH21 ARG 5 57.480 10.612 3.417 57 HH22 ARG 5 HH22 ARG 5 58.149 11.693 2.240 58 H LYS 6 HN LYS 6 56.703 7.663 2.864 59 HA LYS 6 HA LYS 6 54.806 5.537 1.967 60 HB2 LYS 6 HB2 LYS 6 54.843 6.513 4.847 61 HB3 LYS 6 HB1 LYS 6 53.862 5.204 4.144 62 HG2 LYS 6 HG2 LYS 6 56.019 3.991 3.601 63 HG3 LYS 6 HG1 LYS 6 56.884 5.238 4.532 64 HD2 LYS 6 HD2 LYS 6 55.496 4.694 6.525 65 HD3 LYS 6 HD1 LYS 6 54.684 3.412 5.594 66 HE2 LYS 6 HE2 LYS 6 56.934 2.352 5.201 67 HE3 LYS 6 HE1 LYS 6 57.649 3.569 6.286 68 HZ1 LYS 6 HZ1 LYS 6 57.013 2.370 8.021 69 HZ2 LYS 6 HZ2 LYS 6 56.408 1.170 6.982 70 HZ3 LYS 6 HZ3 LYS 6 55.392 2.418 7.524 71 H TRP 7 HN TRP 7 54.336 7.358 0.495 72 HA TRP 7 HA TRP 7 52.062 8.851 1.511 73 HB2 TRP 7 HB2 TRP 7 54.079 10.205 2.331 74 HB3 TRP 7 HB1 TRP 7 54.431 10.541 0.621 75 HD1 TRP 7 HD1 TRP 7 51.855 11.231 3.362 76 HE1 TRP 7 HE1 TRP 7 50.332 13.215 2.655 77 HE3 TRP 7 HE3 TRP 7 53.489 11.828 -1.453 78 HZ2 TRP 7 HZ2 TRP 7 49.905 14.822 0.305 79 HZ3 TRP 7 HZ3 TRP 7 52.509 13.594 -2.909 80 HH2 TRP 7 HH2 TRP 7 50.720 15.091 -2.035 81 H LEU 8 HN LEU 8 53.622 7.210 -0.777 82 HA LEU 8 HA LEU 8 53.464 8.566 -3.201 83 HB2 LEU 8 HB2 LEU 8 52.348 5.768 -3.220 84 HB3 LEU 8 HB1 LEU 8 53.639 6.488 -4.204 85 HG LEU 8 HG LEU 8 54.951 6.537 -1.861 86 HD11 LEU 8 HD11 LEU 8 52.743 5.618 -0.740 87 HD12 LEU 8 HD12 LEU 8 54.304 4.906 -0.267 88 HD13 LEU 8 HD13 LEU 8 53.247 4.054 -1.417 89 HD21 LEU 8 HD21 LEU 8 54.481 3.999 -3.496 90 HD22 LEU 8 HD22 LEU 8 55.843 4.262 -2.380 91 HD23 LEU 8 HD23 LEU 8 55.681 5.268 -3.840 92 H ARG 9 HN ARG 9 50.830 6.342 -2.205 93 HA ARG 9 HA ARG 9 48.765 8.325 -2.435 94 HB2 ARG 9 HB2 ARG 9 47.775 7.891 -4.532 95 HB3 ARG 9 HB1 ARG 9 49.508 7.995 -4.896 96 HG2 ARG 9 HG2 ARG 9 47.853 5.444 -4.591 97 HG3 ARG 9 HG1 ARG 9 48.575 6.085 -6.080 98 HD2 ARG 9 HD2 ARG 9 50.839 5.877 -4.993 99 HD3 ARG 9 HD1 ARG 9 50.054 5.032 -3.635 100 HE ARG 9 HE ARG 9 49.255 3.726 -6.026 101 HH11 ARG 9 HH11 ARG 9 51.851 3.896 -7.140 102 HH12 ARG 9 HH12 ARG 9 52.777 2.674 -6.335 103 HH21 ARG 9 HH21 ARG 9 50.546 2.346 -3.701 104 HH22 ARG 9 HH22 ARG 9 52.038 1.796 -4.388 105 H ARG 10 HN ARG 10 49.954 5.747 -1.111 106 HA ARG 10 HA ARG 10 48.259 3.570 -1.160 107 HB2 ARG 10 HB2 ARG 10 48.530 3.720 1.520 108 HB3 ARG 10 HB1 ARG 10 49.913 3.347 0.466 109 HG2 ARG 10 HG2 ARG 10 50.774 5.555 0.587 110 HG3 ARG 10 HG1 ARG 10 49.241 6.226 1.183 111 HD2 ARG 10 HD2 ARG 10 49.529 4.917 3.299 112 HD3 ARG 10 HD1 ARG 10 51.109 4.351 2.703 113 HE ARG 10 HE ARG 10 51.322 7.099 2.521 114 HH11 ARG 10 HH11 ARG 10 51.339 8.607 4.269 115 HH12 ARG 10 HH12 ARG 10 51.455 7.983 5.881 116 HH21 ARG 10 HH21 ARG 10 51.049 4.678 4.914 117 HH22 ARG 10 HH22 ARG 10 51.293 5.759 6.245 118 H ILE 11 HN ILE 11 47.621 5.649 1.631 119 HA ILE 11 HA ILE 11 44.716 5.271 1.212 120 HB ILE 11 HB ILE 11 44.561 6.663 3.342 121 HG12 ILE 11 HG12 ILE 11 47.555 6.200 3.669 122 HG13 ILE 11 HG11 ILE 11 46.991 7.650 2.812 123 HG21 ILE 11 HG21 ILE 11 44.566 4.171 3.311 124 HG22 ILE 11 HG22 ILE 11 45.330 4.817 4.781 125 HG23 ILE 11 HG23 ILE 11 46.339 4.182 3.459 126 HD11 ILE 11 HD1 ILE 11 47.303 8.150 5.196 127 HD12 ILE 11 HD2 ILE 11 46.201 6.829 5.642 128 HD13 ILE 11 HD3 ILE 11 45.580 8.252 4.772 129 H GLY 12 HN GLY 12 47.079 7.278 0.017 130 HA2 GLY 12 HA1 GLY 12 45.894 9.873 0.226 131 HA3 GLY 12 HA2 GLY 12 47.011 9.330 -1.048 132 H LYS 13 HN LYS 13 45.625 7.324 -2.248 133 HA LYS 13 HA LYS 13 44.022 8.538 -4.148 134 HB2 LYS 13 HB2 LYS 13 44.762 6.196 -4.273 135 HB3 LYS 13 HB1 LYS 13 43.650 5.768 -2.950 136 HG2 LYS 13 HG2 LYS 13 41.716 6.287 -4.286 137 HG3 LYS 13 HG1 LYS 13 42.714 7.049 -5.547 138 HD2 LYS 13 HD2 LYS 13 41.966 4.739 -6.172 139 HD3 LYS 13 HD1 LYS 13 43.737 4.893 -6.101 140 HE2 LYS 13 HE2 LYS 13 43.883 3.698 -4.059 141 HE3 LYS 13 HE1 LYS 13 42.163 3.956 -3.673 142 HZ1 LYS 13 HZ1 LYS 13 42.283 1.767 -4.417 143 HZ2 LYS 13 HZ2 LYS 13 43.356 2.133 -5.684 144 HZ3 LYS 13 HZ3 LYS 13 41.728 2.612 -5.778 145 H GLY 14 HN GLY 14 43.280 7.944 -0.828 146 HA2 GLY 14 HA1 GLY 14 40.351 8.280 -1.221 147 HA3 GLY 14 HA2 GLY 14 41.192 7.882 0.290 148 H VAL 15 HN VAL 15 43.158 9.936 0.315 149 HA VAL 15 HA VAL 15 41.358 12.328 0.743 150 HB VAL 15 HB VAL 15 43.129 13.069 2.377 151 HG11 VAL 15 HG11 VAL 15 41.064 11.969 3.135 152 HG12 VAL 15 HG12 VAL 15 42.438 11.443 4.137 153 HG13 VAL 15 HG13 VAL 15 41.798 10.370 2.870 154 HG21 VAL 15 HG21 VAL 15 44.636 11.214 3.233 155 HG22 VAL 15 HG22 VAL 15 45.048 11.797 1.603 156 HG23 VAL 15 HG23 VAL 15 44.173 10.261 1.806 157 H LYS 16 HN LYS 16 44.624 11.312 -0.362 158 HA LYS 16 HA LYS 16 45.706 13.787 -1.021 159 HB2 LYS 16 HB2 LYS 16 46.895 11.661 -1.335 160 HB3 LYS 16 HB1 LYS 16 45.832 11.255 -2.703 161 HG2 LYS 16 HG2 LYS 16 46.664 13.105 -4.008 162 HG3 LYS 16 HG1 LYS 16 47.527 13.784 -2.606 163 HD2 LYS 16 HD2 LYS 16 49.018 11.831 -2.539 164 HD3 LYS 16 HD1 LYS 16 48.126 11.079 -3.884 165 HE2 LYS 16 HE2 LYS 16 49.486 13.797 -4.084 166 HE3 LYS 16 HE1 LYS 16 50.263 12.272 -4.567 167 HZ1 LYS 16 HZ1 LYS 16 47.867 13.570 -5.728 168 HZ2 LYS 16 HZ2 LYS 16 48.187 11.920 -5.974 169 HZ3 LYS 16 HZ3 LYS 16 49.295 13.093 -6.508 170 H ILE 17 HN ILE 17 43.572 11.796 -3.144 171 HA ILE 17 HA ILE 17 43.447 13.463 -5.368 172 HB ILE 17 HB ILE 17 41.030 12.144 -4.064 173 HG12 ILE 17 HG12 ILE 17 43.153 10.688 -4.539 174 HG13 ILE 17 HG11 ILE 17 41.587 10.115 -5.140 175 HG21 ILE 17 HG21 ILE 17 41.596 13.125 -6.886 176 HG22 ILE 17 HG22 ILE 17 40.298 13.641 -5.784 177 HG23 ILE 17 HG23 ILE 17 40.265 12.009 -6.493 178 HD11 ILE 17 HD1 ILE 17 43.524 9.953 -6.794 179 HD12 ILE 17 HD2 ILE 17 43.518 11.727 -6.865 180 HD13 ILE 17 HD3 ILE 17 42.089 10.813 -7.391 181 H ILE 18 HN ILE 18 41.177 13.691 -2.576 182 HA ILE 18 HA ILE 18 41.331 16.572 -2.516 183 HB ILE 18 HB ILE 18 40.043 16.293 -4.655 184 HG12 ILE 18 HG12 ILE 18 38.337 17.433 -2.391 185 HG13 ILE 18 HG11 ILE 18 39.761 18.259 -3.063 186 HG21 ILE 18 HG21 ILE 18 38.899 14.151 -3.833 187 HG22 ILE 18 HG22 ILE 18 37.850 15.318 -4.668 188 HG23 ILE 18 HG23 ILE 18 37.812 15.198 -2.893 189 HD11 ILE 18 HD1 ILE 18 38.626 18.017 -5.366 190 HD12 ILE 18 HD2 ILE 18 37.885 19.168 -4.231 191 HD13 ILE 18 HD3 ILE 18 37.156 17.564 -4.470 192 H GLY 19 HN GLY 19 40.075 13.510 -1.559 193 HA2 GLY 19 HA1 GLY 19 39.061 12.821 0.402 194 HA3 GLY 19 HA2 GLY 19 39.668 14.321 1.132 195 H GLY 20 HN GLY 20 37.143 13.274 -1.203 196 HA2 GLY 20 HA1 GLY 20 35.032 14.384 0.450 197 HA3 GLY 20 HA2 GLY 20 35.404 15.431 -0.933 198 H ALA 21 HN ALA 21 35.757 13.997 -3.051 199 HA ALA 21 HA ALA 21 33.178 13.022 -3.742 200 HB1 ALA 21 HB1 ALA 21 34.321 12.102 -5.757 201 HB2 ALA 21 HB2 ALA 21 35.888 12.482 -5.004 202 HB3 ALA 21 HB3 ALA 21 34.757 13.792 -5.419 203 H ALA 22 HN ALA 22 36.194 11.076 -3.493 204 HA ALA 22 HA ALA 22 34.722 8.590 -3.362 205 HB1 ALA 22 HB1 ALA 22 37.012 8.676 -4.195 206 HB2 ALA 22 HB2 ALA 22 36.929 7.618 -2.766 207 HB3 ALA 22 HB3 ALA 22 37.590 9.265 -2.620 208 H LEU 23 HN LEU 23 35.850 10.931 -1.002 209 HA LEU 23 HA LEU 23 35.866 9.334 1.330 210 HB2 LEU 23 HB2 LEU 23 36.487 11.834 1.008 211 HB3 LEU 23 HB1 LEU 23 34.756 12.161 1.238 212 HG LEU 23 HG LEU 23 35.059 10.632 3.413 213 HD11 LEU 23 HD11 LEU 23 37.385 9.953 2.991 214 HD12 LEU 23 HD12 LEU 23 37.318 10.982 4.436 215 HD13 LEU 23 HD13 LEU 23 37.890 11.655 2.893 216 HD21 LEU 23 HD21 LEU 23 35.615 12.667 4.726 217 HD22 LEU 23 HD22 LEU 23 34.432 13.023 3.443 218 HD23 LEU 23 HD23 LEU 23 36.140 13.482 3.233 219 H ASP 24 HN ASP 24 33.255 10.262 -0.727 220 HA ASP 24 HA ASP 24 31.372 8.700 0.896 221 HB2 ASP 24 HB2 ASP 24 31.305 10.937 2.013 222 HB3 ASP 24 HB1 ASP 24 30.830 11.665 0.458 223 H HIS 25 HN HIS 25 32.069 7.857 -1.428 224 HA HIS 25 HA HIS 25 31.072 8.955 -3.797 225 HB2 HIS 25 HB2 HIS 25 32.415 6.861 -3.618 226 HB3 HIS 25 HB1 HIS 25 30.971 6.017 -3.011 227 HD1 HIS 25 HD1 HIS 25 32.537 7.431 -6.122 228 HD2 HIS 25 HD2 HIS 25 28.936 5.586 -4.979 229 HE1 HIS 25 HE1 HIS 25 31.276 6.832 -8.262 230 H LEU 26 HN LEU 26 29.143 10.086 -3.473 231 HA LEU 26 HA LEU 26 26.803 9.078 -2.271 232 HB2 LEU 26 HB2 LEU 26 27.210 11.443 -3.039 233 HB3 LEU 26 HB1 LEU 26 26.943 10.896 -4.707 234 HG LEU 26 HG LEU 26 24.657 10.061 -4.001 235 HD11 LEU 26 HD11 LEU 26 24.685 9.791 -1.656 236 HD12 LEU 26 HD12 LEU 26 23.836 11.339 -1.826 237 HD13 LEU 26 HD13 LEU 26 25.558 11.317 -1.383 238 HD21 LEU 26 HD21 LEU 26 25.012 12.238 -5.136 239 HD22 LEU 26 HD22 LEU 26 25.235 13.024 -3.555 240 HD23 LEU 26 HD23 LEU 26 23.656 12.321 -3.985 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 56.521 -2.766 -1.184 2 H2 GLY 1 HT2 GLY 1 56.485 -3.264 0.440 3 H3 GLY 1 HT3 GLY 1 57.419 -1.921 -0.022 4 HA2 GLY 1 HA1 GLY 1 54.862 -1.424 -0.889 5 HA3 GLY 1 HA2 GLY 1 54.739 -2.047 0.768 6 H ARG 2 HN ARG 2 57.657 -0.978 1.065 7 HA ARG 2 HA ARG 2 56.839 1.545 2.274 8 HB2 ARG 2 HB2 ARG 2 59.604 0.364 1.797 9 HB3 ARG 2 HB1 ARG 2 59.236 1.759 2.840 10 HG2 ARG 2 HG2 ARG 2 57.667 0.272 4.151 11 HG3 ARG 2 HG1 ARG 2 58.257 -1.106 3.192 12 HD2 ARG 2 HD2 ARG 2 59.520 -1.010 5.278 13 HD3 ARG 2 HD1 ARG 2 60.597 -0.551 3.936 14 HE ARG 2 HE ARG 2 59.589 1.876 4.813 15 HH11 ARG 2 HH11 ARG 2 62.357 0.369 5.315 16 HH12 ARG 2 HH12 ARG 2 62.568 0.765 6.987 17 HH21 ARG 2 HH21 ARG 2 59.311 1.880 7.408 18 HH22 ARG 2 HH22 ARG 2 60.844 1.620 8.173 19 H ARG 3 HN ARG 3 59.540 0.976 -0.018 20 HA ARG 3 HA ARG 3 60.383 2.366 -1.678 21 HB2 ARG 3 HB2 ARG 3 57.395 2.747 -2.113 22 HB3 ARG 3 HB1 ARG 3 58.650 3.301 -3.248 23 HG2 ARG 3 HG2 ARG 3 59.421 1.046 -3.626 24 HG3 ARG 3 HG1 ARG 3 58.424 0.417 -2.292 25 HD2 ARG 3 HD2 ARG 3 57.290 1.773 -4.777 26 HD3 ARG 3 HD1 ARG 3 57.436 0.009 -4.581 27 HE ARG 3 HE ARG 3 56.025 1.181 -2.341 28 HH11 ARG 3 HH11 ARG 3 53.800 0.808 -2.239 29 HH12 ARG 3 HH12 ARG 3 52.953 0.298 -3.662 30 HH21 ARG 3 HH21 ARG 3 55.784 0.293 -5.665 31 HH22 ARG 3 HH22 ARG 3 54.077 0.008 -5.603 32 H LYS 4 HN LYS 4 57.651 4.507 -1.657 33 HA LYS 4 HA LYS 4 59.403 6.722 -0.746 34 HB2 LYS 4 HB2 LYS 4 56.496 6.759 -1.655 35 HB3 LYS 4 HB1 LYS 4 57.572 8.164 -1.460 36 HG2 LYS 4 HG2 LYS 4 59.127 7.084 -3.160 37 HG3 LYS 4 HG1 LYS 4 57.845 5.887 -3.465 38 HD2 LYS 4 HD2 LYS 4 56.287 7.670 -4.111 39 HD3 LYS 4 HD1 LYS 4 57.508 8.907 -3.727 40 HE2 LYS 4 HE2 LYS 4 59.024 7.863 -5.445 41 HE3 LYS 4 HE1 LYS 4 57.695 6.766 -5.890 42 HZ1 LYS 4 HZ1 LYS 4 57.686 8.646 -7.352 43 HZ2 LYS 4 HZ2 LYS 4 57.685 9.739 -6.050 44 HZ3 LYS 4 HZ3 LYS 4 56.328 8.758 -6.340 45 H ARG 5 HN ARG 5 59.493 7.404 1.285 46 HA ARG 5 HA ARG 5 58.078 6.249 3.426 47 HB2 ARG 5 HB2 ARG 5 59.058 9.129 3.331 48 HB3 ARG 5 HB1 ARG 5 58.847 8.108 4.772 49 HG2 ARG 5 HG2 ARG 5 60.813 7.576 2.496 50 HG3 ARG 5 HG1 ARG 5 61.231 8.234 4.093 51 HD2 ARG 5 HD2 ARG 5 60.065 6.070 5.028 52 HD3 ARG 5 HD1 ARG 5 60.291 5.442 3.377 53 HE ARG 5 HE ARG 5 62.783 6.492 4.159 54 HH11 ARG 5 HH11 ARG 5 60.526 4.061 5.096 55 HH12 ARG 5 HH12 ARG 5 61.723 3.040 5.821 56 HH21 ARG 5 HH21 ARG 5 64.354 5.194 5.140 57 HH22 ARG 5 HH22 ARG 5 63.890 3.682 5.846 58 H LYS 6 HN LYS 6 55.908 6.016 3.183 59 HA LYS 6 HA LYS 6 53.687 6.669 2.754 60 HB2 LYS 6 HB2 LYS 6 52.974 8.343 4.611 61 HB3 LYS 6 HB1 LYS 6 53.700 6.798 5.110 62 HG2 LYS 6 HG2 LYS 6 55.868 7.856 5.449 63 HG3 LYS 6 HG1 LYS 6 55.264 9.396 4.791 64 HD2 LYS 6 HD2 LYS 6 53.692 9.634 6.635 65 HD3 LYS 6 HD1 LYS 6 54.112 8.018 7.253 66 HE2 LYS 6 HE2 LYS 6 55.324 9.650 8.575 67 HE3 LYS 6 HE1 LYS 6 56.497 8.830 7.519 68 HZ1 LYS 6 HZ1 LYS 6 56.500 11.397 7.674 69 HZ2 LYS 6 HZ2 LYS 6 55.175 11.309 6.615 70 HZ3 LYS 6 HZ3 LYS 6 56.676 10.662 6.156 71 H TRP 7 HN TRP 7 53.979 7.539 0.631 72 HA TRP 7 HA TRP 7 52.949 10.247 0.434 73 HB2 TRP 7 HB2 TRP 7 55.324 10.790 0.866 74 HB3 TRP 7 HB1 TRP 7 55.809 9.752 -0.495 75 HD1 TRP 7 HD1 TRP 7 55.321 10.613 -2.944 76 HE1 TRP 7 HE1 TRP 7 54.750 12.950 -3.932 77 HE3 TRP 7 HE3 TRP 7 54.046 13.032 1.385 78 HZ2 TRP 7 HZ2 TRP 7 53.864 15.506 -2.948 79 HZ3 TRP 7 HZ3 TRP 7 53.343 15.420 1.338 80 HH2 TRP 7 HH2 TRP 7 53.250 16.658 -0.822 81 H LEU 8 HN LEU 8 53.633 7.156 -0.640 82 HA LEU 8 HA LEU 8 53.397 7.608 -3.507 83 HB2 LEU 8 HB2 LEU 8 53.404 5.224 -3.716 84 HB3 LEU 8 HB1 LEU 8 54.552 5.635 -2.427 85 HG LEU 8 HG LEU 8 51.681 4.657 -2.003 86 HD11 LEU 8 HD11 LEU 8 53.286 2.953 -2.883 87 HD12 LEU 8 HD12 LEU 8 52.734 2.597 -1.229 88 HD13 LEU 8 HD13 LEU 8 54.353 3.287 -1.498 89 HD21 LEU 8 HD21 LEU 8 52.242 6.050 -0.130 90 HD22 LEU 8 HD22 LEU 8 53.925 5.469 -0.103 91 HD23 LEU 8 HD23 LEU 8 52.601 4.395 0.404 92 H ARG 9 HN ARG 9 51.238 8.624 -1.566 93 HA ARG 9 HA ARG 9 48.951 8.894 -1.660 94 HB2 ARG 9 HB2 ARG 9 48.995 7.433 -4.325 95 HB3 ARG 9 HB1 ARG 9 47.827 8.644 -3.750 96 HG2 ARG 9 HG2 ARG 9 50.778 9.142 -4.350 97 HG3 ARG 9 HG1 ARG 9 49.399 9.677 -5.338 98 HD2 ARG 9 HD2 ARG 9 48.577 10.859 -3.149 99 HD3 ARG 9 HD1 ARG 9 50.254 10.642 -2.591 100 HE ARG 9 HE ARG 9 49.391 12.633 -4.449 101 HH11 ARG 9 HH11 ARG 9 50.696 12.867 -6.451 102 HH12 ARG 9 HH12 ARG 9 52.394 12.579 -6.269 103 HH21 ARG 9 HH21 ARG 9 52.081 11.134 -3.133 104 HH22 ARG 9 HH22 ARG 9 53.178 11.598 -4.391 105 H ARG 10 HN ARG 10 50.001 6.671 -0.270 106 HA ARG 10 HA ARG 10 48.849 4.173 -0.806 107 HB2 ARG 10 HB2 ARG 10 48.620 4.150 1.870 108 HB3 ARG 10 HB1 ARG 10 50.216 4.139 1.085 109 HG2 ARG 10 HG2 ARG 10 50.553 6.467 1.461 110 HG3 ARG 10 HG1 ARG 10 48.842 6.746 1.844 111 HD2 ARG 10 HD2 ARG 10 50.233 6.723 3.899 112 HD3 ARG 10 HD1 ARG 10 49.074 5.374 3.894 113 HE ARG 10 HE ARG 10 51.504 4.447 2.732 114 HH11 ARG 10 HH11 ARG 10 51.579 6.334 5.426 115 HH12 ARG 10 HH12 ARG 10 52.066 5.095 6.535 116 HH21 ARG 10 HH21 ARG 10 51.551 2.508 4.285 117 HH22 ARG 10 HH22 ARG 10 52.049 2.930 5.889 118 H ILE 11 HN ILE 11 47.358 5.805 1.935 119 HA ILE 11 HA ILE 11 44.696 5.029 0.915 120 HB ILE 11 HB ILE 11 43.900 6.027 3.097 121 HG12 ILE 11 HG12 ILE 11 46.824 6.125 3.956 122 HG13 ILE 11 HG11 ILE 11 46.098 7.546 3.178 123 HG21 ILE 11 HG21 ILE 11 46.136 3.956 3.310 124 HG22 ILE 11 HG22 ILE 11 44.463 3.616 2.807 125 HG23 ILE 11 HG23 ILE 11 44.797 4.180 4.459 126 HD11 ILE 11 HD1 ILE 11 45.883 7.742 5.608 127 HD12 ILE 11 HD2 ILE 11 45.076 6.161 5.696 128 HD13 ILE 11 HD3 ILE 11 44.273 7.527 4.884 129 H GLY 12 HN GLY 12 46.801 7.653 0.528 130 HA2 GLY 12 HA1 GLY 12 44.958 9.842 0.743 131 HA3 GLY 12 HA2 GLY 12 46.462 9.827 -0.205 132 H LYS 13 HN LYS 13 45.880 7.730 -1.989 133 HA LYS 13 HA LYS 13 44.481 9.089 -4.031 134 HB2 LYS 13 HB2 LYS 13 45.928 7.163 -4.463 135 HB3 LYS 13 HB1 LYS 13 44.820 6.095 -3.580 136 HG2 LYS 13 HG2 LYS 13 43.529 7.673 -5.784 137 HG3 LYS 13 HG1 LYS 13 44.747 6.507 -6.335 138 HD2 LYS 13 HD2 LYS 13 42.408 5.815 -4.490 139 HD3 LYS 13 HD1 LYS 13 42.419 5.559 -6.246 140 HE2 LYS 13 HE2 LYS 13 44.751 4.277 -5.607 141 HE3 LYS 13 HE1 LYS 13 43.847 4.028 -4.095 142 HZ1 LYS 13 HZ1 LYS 13 43.582 2.402 -6.099 143 HZ2 LYS 13 HZ2 LYS 13 42.481 3.569 -6.657 144 HZ3 LYS 13 HZ3 LYS 13 42.243 2.823 -5.149 145 H GLY 14 HN GLY 14 43.317 7.675 -1.172 146 HA2 GLY 14 HA1 GLY 14 40.568 7.235 -2.241 147 HA3 GLY 14 HA2 GLY 14 41.176 6.778 -0.639 148 H VAL 15 HN VAL 15 42.355 9.211 0.183 149 HA VAL 15 HA VAL 15 39.875 10.930 0.432 150 HB VAL 15 HB VAL 15 40.893 11.713 2.587 151 HG11 VAL 15 HG11 VAL 15 40.325 9.667 3.843 152 HG12 VAL 15 HG12 VAL 15 40.480 8.698 2.357 153 HG13 VAL 15 HG13 VAL 15 39.181 9.908 2.500 154 HG21 VAL 15 HG21 VAL 15 42.684 10.156 3.551 155 HG22 VAL 15 HG22 VAL 15 43.236 11.241 2.255 156 HG23 VAL 15 HG23 VAL 15 42.908 9.529 1.901 157 H LYS 16 HN LYS 16 43.452 10.977 0.169 158 HA LYS 16 HA LYS 16 43.747 13.800 0.091 159 HB2 LYS 16 HB2 LYS 16 45.592 12.068 0.250 160 HB3 LYS 16 HB1 LYS 16 45.399 11.803 -1.501 161 HG2 LYS 16 HG2 LYS 16 45.902 14.163 -1.948 162 HG3 LYS 16 HG1 LYS 16 45.999 14.498 -0.203 163 HD2 LYS 16 HD2 LYS 16 47.861 12.807 -0.042 164 HD3 LYS 16 HD1 LYS 16 47.824 12.668 -1.817 165 HE2 LYS 16 HE2 LYS 16 48.223 15.145 -1.969 166 HE3 LYS 16 HE1 LYS 16 48.404 15.186 -0.199 167 HZ1 LYS 16 HZ1 LYS 16 50.102 13.771 -2.182 168 HZ2 LYS 16 HZ2 LYS 16 50.158 13.422 -0.520 169 HZ3 LYS 16 HZ3 LYS 16 50.561 14.975 -1.079 170 H ILE 17 HN ILE 17 42.742 11.485 -2.386 171 HA ILE 17 HA ILE 17 43.046 13.290 -4.615 172 HB ILE 17 HB ILE 17 42.705 10.691 -4.605 173 HG12 ILE 17 HG12 ILE 17 41.256 10.957 -6.849 174 HG13 ILE 17 HG11 ILE 17 41.522 12.690 -6.566 175 HG21 ILE 17 HG21 ILE 17 40.519 10.938 -3.280 176 HG22 ILE 17 HG22 ILE 17 40.480 9.845 -4.684 177 HG23 ILE 17 HG23 ILE 17 39.776 11.476 -4.806 178 HD11 ILE 17 HD1 ILE 17 43.724 10.583 -6.736 179 HD12 ILE 17 HD2 ILE 17 43.964 12.334 -6.541 180 HD13 ILE 17 HD3 ILE 17 43.264 11.695 -8.045 181 H ILE 18 HN ILE 18 41.255 13.708 -1.935 182 HA ILE 18 HA ILE 18 39.445 15.050 -1.418 183 HB ILE 18 HB ILE 18 39.527 16.085 -4.283 184 HG12 ILE 18 HG12 ILE 18 41.235 16.912 -1.887 185 HG13 ILE 18 HG11 ILE 18 41.825 16.089 -3.350 186 HG21 ILE 18 HG21 ILE 18 37.655 16.718 -2.629 187 HG22 ILE 18 HG22 ILE 18 38.559 18.067 -3.351 188 HG23 ILE 18 HG23 ILE 18 38.912 17.550 -1.685 189 HD11 ILE 18 HD1 ILE 18 42.304 18.379 -3.747 190 HD12 ILE 18 HD2 ILE 18 40.747 18.914 -3.073 191 HD13 ILE 18 HD3 ILE 18 40.799 18.097 -4.655 192 H GLY 19 HN GLY 19 38.119 13.180 -1.209 193 HA2 GLY 19 HA1 GLY 19 35.769 13.308 -2.915 194 HA3 GLY 19 HA2 GLY 19 36.723 11.839 -3.201 195 H GLY 20 HN GLY 20 36.714 13.346 -0.048 196 HA2 GLY 20 HA1 GLY 20 34.494 11.806 1.008 197 HA3 GLY 20 HA2 GLY 20 36.056 11.048 1.379 198 H ALA 21 HN ALA 21 37.759 12.928 2.019 199 HA ALA 21 HA ALA 21 37.072 13.717 4.626 200 HB1 ALA 21 HB1 ALA 21 39.370 13.662 3.562 201 HB2 ALA 21 HB2 ALA 21 39.041 15.079 4.589 202 HB3 ALA 21 HB3 ALA 21 38.979 15.231 2.817 203 H ALA 22 HN ALA 22 37.113 15.766 1.670 204 HA ALA 22 HA ALA 22 35.985 18.058 2.994 205 HB1 ALA 22 HB1 ALA 22 35.889 17.300 0.054 206 HB2 ALA 22 HB2 ALA 22 37.233 18.149 0.855 207 HB3 ALA 22 HB3 ALA 22 35.634 18.923 0.737 208 H LEU 23 HN LEU 23 34.621 15.128 1.693 209 HA LEU 23 HA LEU 23 31.888 16.237 1.513 210 HB2 LEU 23 HB2 LEU 23 32.672 13.304 1.439 211 HB3 LEU 23 HB1 LEU 23 31.260 14.097 0.700 212 HG LEU 23 HG LEU 23 34.180 14.452 -0.110 213 HD11 LEU 23 HD11 LEU 23 33.478 13.372 -2.188 214 HD12 LEU 23 HD12 LEU 23 31.789 13.313 -1.627 215 HD13 LEU 23 HD13 LEU 23 33.032 12.328 -0.817 216 HD21 LEU 23 HD21 LEU 23 31.620 15.858 -0.981 217 HD22 LEU 23 HD22 LEU 23 33.058 15.788 -2.028 218 HD23 LEU 23 HD23 LEU 23 33.152 16.588 -0.443 219 H ASP 24 HN ASP 24 32.289 16.972 3.880 220 HA ASP 24 HA ASP 24 30.701 15.155 5.551 221 HB2 ASP 24 HB2 ASP 24 33.623 15.723 6.174 222 HB3 ASP 24 HB1 ASP 24 32.454 15.207 7.416 223 H HIS 25 HN HIS 25 32.703 18.085 5.240 224 HA HIS 25 HA HIS 25 31.391 19.416 7.496 225 HB2 HIS 25 HB2 HIS 25 32.585 21.451 6.557 226 HB3 HIS 25 HB1 HIS 25 33.638 20.082 6.981 227 HD1 HIS 25 HD1 HIS 25 31.761 21.397 3.884 228 HD2 HIS 25 HD2 HIS 25 35.256 19.288 4.891 229 HE1 HIS 25 HE1 HIS 25 33.091 21.055 1.729 230 H LEU 26 HN LEU 26 29.601 20.615 7.520 231 HA LEU 26 HA LEU 26 27.916 20.679 5.142 232 HB2 LEU 26 HB2 LEU 26 27.699 21.803 7.955 233 HB3 LEU 26 HB1 LEU 26 26.489 22.195 6.711 234 HG LEU 26 HG LEU 26 26.053 19.780 6.366 235 HD11 LEU 26 HD11 LEU 26 28.240 19.507 8.466 236 HD12 LEU 26 HD12 LEU 26 28.121 18.713 6.876 237 HD13 LEU 26 HD13 LEU 26 27.038 18.222 8.197 238 HD21 LEU 26 HD21 LEU 26 24.867 19.401 8.453 239 HD22 LEU 26 HD22 LEU 26 24.829 21.147 8.115 240 HD23 LEU 26 HD23 LEU 26 25.957 20.499 9.329 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 53.476 -2.669 -0.071 2 H2 GLY 1 HT2 GLY 1 53.709 -2.931 1.592 3 H3 GLY 1 HT3 GLY 1 54.935 -2.212 0.660 4 HA2 GLY 1 HA1 GLY 1 52.879 -0.592 0.179 5 HA3 GLY 1 HA2 GLY 1 52.602 -1.074 1.864 6 H ARG 2 HN ARG 2 55.824 -1.470 1.443 7 HA ARG 2 HA ARG 2 56.464 0.896 2.985 8 HB2 ARG 2 HB2 ARG 2 58.291 -1.036 1.502 9 HB3 ARG 2 HB1 ARG 2 58.796 0.138 2.741 10 HG2 ARG 2 HG2 ARG 2 57.398 -0.968 4.419 11 HG3 ARG 2 HG1 ARG 2 56.766 -2.092 3.192 12 HD2 ARG 2 HD2 ARG 2 58.539 -3.207 4.457 13 HD3 ARG 2 HD1 ARG 2 59.106 -2.908 2.797 14 HE ARG 2 HE ARG 2 59.932 -0.674 4.277 15 HH11 ARG 2 HH11 ARG 2 60.858 -3.816 3.473 16 HH12 ARG 2 HH12 ARG 2 62.191 -3.885 4.576 17 HH21 ARG 2 HH21 ARG 2 61.428 -0.869 6.106 18 HH22 ARG 2 HH22 ARG 2 62.514 -2.218 6.067 19 H ARG 3 HN ARG 3 58.046 -0.087 -0.066 20 HA ARG 3 HA ARG 3 58.759 1.178 -1.867 21 HB2 ARG 3 HB2 ARG 3 56.466 3.062 -1.207 22 HB3 ARG 3 HB1 ARG 3 57.249 2.808 -2.784 23 HG2 ARG 3 HG2 ARG 3 55.662 0.717 -1.224 24 HG3 ARG 3 HG1 ARG 3 55.089 1.601 -2.658 25 HD2 ARG 3 HD2 ARG 3 57.255 0.646 -3.811 26 HD3 ARG 3 HD1 ARG 3 57.241 -0.527 -2.470 27 HE ARG 3 HE ARG 3 55.438 -0.529 -4.733 28 HH11 ARG 3 HH11 ARG 3 53.451 -1.642 -4.544 29 HH12 ARG 3 HH12 ARG 3 53.145 -2.560 -3.107 30 HH21 ARG 3 HH21 ARG 3 56.017 -1.484 -1.489 31 HH22 ARG 3 HH22 ARG 3 54.597 -2.471 -1.378 32 H LYS 4 HN LYS 4 57.441 3.893 0.072 33 HA LYS 4 HA LYS 4 60.134 4.722 0.899 34 HB2 LYS 4 HB2 LYS 4 59.894 6.983 -0.260 35 HB3 LYS 4 HB1 LYS 4 60.302 5.608 -1.311 36 HG2 LYS 4 HG2 LYS 4 57.788 5.390 -1.790 37 HG3 LYS 4 HG1 LYS 4 57.587 6.956 -0.977 38 HD2 LYS 4 HD2 LYS 4 59.308 6.384 -3.427 39 HD3 LYS 4 HD1 LYS 4 57.789 7.308 -3.390 40 HE2 LYS 4 HE2 LYS 4 60.500 8.069 -2.263 41 HE3 LYS 4 HE1 LYS 4 59.448 8.994 -3.358 42 HZ1 LYS 4 HZ1 LYS 4 58.929 10.037 -1.442 43 HZ2 LYS 4 HZ2 LYS 4 59.336 8.715 -0.456 44 HZ3 LYS 4 HZ3 LYS 4 57.842 8.747 -1.264 45 H ARG 5 HN ARG 5 58.703 4.224 2.809 46 HA ARG 5 HA ARG 5 57.512 4.990 4.639 47 HB2 ARG 5 HB2 ARG 5 58.329 7.712 3.546 48 HB3 ARG 5 HB1 ARG 5 57.721 7.391 5.186 49 HG2 ARG 5 HG2 ARG 5 59.628 6.020 5.724 50 HG3 ARG 5 HG1 ARG 5 60.167 5.996 4.026 51 HD2 ARG 5 HD2 ARG 5 59.940 8.544 5.681 52 HD3 ARG 5 HD1 ARG 5 61.445 7.607 5.519 53 HE ARG 5 HE ARG 5 60.599 8.057 2.894 54 HH11 ARG 5 HH11 ARG 5 61.640 9.718 1.744 55 HH12 ARG 5 HH12 ARG 5 62.039 11.190 2.565 56 HH21 ARG 5 HH21 ARG 5 60.969 10.064 5.664 57 HH22 ARG 5 HH22 ARG 5 61.660 11.386 4.783 58 H LYS 6 HN LYS 6 56.776 7.796 2.557 59 HA LYS 6 HA LYS 6 53.937 6.849 2.320 60 HB2 LYS 6 HB2 LYS 6 54.671 9.665 3.196 61 HB3 LYS 6 HB1 LYS 6 53.054 8.923 3.128 62 HG2 LYS 6 HG2 LYS 6 53.790 7.257 4.852 63 HG3 LYS 6 HG1 LYS 6 55.343 8.119 4.975 64 HD2 LYS 6 HD2 LYS 6 54.152 10.187 5.632 65 HD3 LYS 6 HD1 LYS 6 52.595 9.332 5.507 66 HE2 LYS 6 HE2 LYS 6 54.861 8.422 7.328 67 HE3 LYS 6 HE1 LYS 6 53.538 9.487 7.865 68 HZ1 LYS 6 HZ1 LYS 6 52.600 7.177 6.443 69 HZ2 LYS 6 HZ2 LYS 6 52.139 7.776 7.964 70 HZ3 LYS 6 HZ3 LYS 6 53.492 6.758 7.822 71 H TRP 7 HN TRP 7 52.999 9.334 1.310 72 HA TRP 7 HA TRP 7 52.914 10.611 -0.606 73 HB2 TRP 7 HB2 TRP 7 55.462 10.878 -0.101 74 HB3 TRP 7 HB1 TRP 7 55.698 9.717 -1.426 75 HD1 TRP 7 HD1 TRP 7 54.748 10.442 -3.861 76 HE1 TRP 7 HE1 TRP 7 54.457 12.783 -4.957 77 HE3 TRP 7 HE3 TRP 7 54.938 13.337 0.358 78 HZ2 TRP 7 HZ2 TRP 7 54.329 15.526 -4.087 79 HZ3 TRP 7 HZ3 TRP 7 54.730 15.813 0.202 80 HH2 TRP 7 HH2 TRP 7 54.425 16.909 -2.016 81 H LEU 8 HN LEU 8 54.093 7.283 -0.835 82 HA LEU 8 HA LEU 8 53.814 6.850 -3.592 83 HB2 LEU 8 HB2 LEU 8 53.429 4.503 -3.091 84 HB3 LEU 8 HB1 LEU 8 54.655 5.153 -1.987 85 HG LEU 8 HG LEU 8 51.693 4.817 -1.292 86 HD11 LEU 8 HD11 LEU 8 54.105 3.154 -0.455 87 HD12 LEU 8 HD12 LEU 8 52.908 2.664 -1.678 88 HD13 LEU 8 HD13 LEU 8 52.410 2.882 0.017 89 HD21 LEU 8 HD21 LEU 8 52.814 5.012 1.097 90 HD22 LEU 8 HD22 LEU 8 52.506 6.493 0.168 91 HD23 LEU 8 HD23 LEU 8 54.144 5.800 0.216 92 H ARG 9 HN ARG 9 51.415 7.927 -1.471 93 HA ARG 9 HA ARG 9 49.188 8.428 -1.890 94 HB2 ARG 9 HB2 ARG 9 50.185 8.534 -4.378 95 HB3 ARG 9 HB1 ARG 9 49.212 7.065 -4.591 96 HG2 ARG 9 HG2 ARG 9 47.627 8.690 -5.163 97 HG3 ARG 9 HG1 ARG 9 47.304 8.544 -3.421 98 HD2 ARG 9 HD2 ARG 9 47.452 10.909 -3.981 99 HD3 ARG 9 HD1 ARG 9 48.896 10.473 -3.036 100 HE ARG 9 HE ARG 9 49.495 10.154 -5.813 101 HH11 ARG 9 HH11 ARG 9 50.246 11.917 -7.055 102 HH12 ARG 9 HH12 ARG 9 50.518 13.435 -6.267 103 HH21 ARG 9 HH21 ARG 9 49.210 12.393 -3.230 104 HH22 ARG 9 HH22 ARG 9 49.930 13.705 -4.101 105 H ARG 10 HN ARG 10 49.934 6.124 -0.483 106 HA ARG 10 HA ARG 10 48.645 3.743 -1.333 107 HB2 ARG 10 HB2 ARG 10 48.329 3.514 1.336 108 HB3 ARG 10 HB1 ARG 10 49.930 3.377 0.574 109 HG2 ARG 10 HG2 ARG 10 50.524 5.616 1.142 110 HG3 ARG 10 HG1 ARG 10 48.849 6.051 1.547 111 HD2 ARG 10 HD2 ARG 10 50.217 5.686 3.591 112 HD3 ARG 10 HD1 ARG 10 48.900 4.494 3.469 113 HE ARG 10 HE ARG 10 51.249 3.419 2.229 114 HH11 ARG 10 HH11 ARG 10 51.816 4.879 5.015 115 HH12 ARG 10 HH12 ARG 10 51.917 3.474 6.024 116 HH21 ARG 10 HH21 ARG 10 50.573 1.342 3.641 117 HH22 ARG 10 HH22 ARG 10 51.212 1.472 5.245 118 H ILE 11 HN ILE 11 47.236 5.311 1.498 119 HA ILE 11 HA ILE 11 44.536 4.850 0.366 120 HB ILE 11 HB ILE 11 43.788 5.713 2.639 121 HG12 ILE 11 HG12 ILE 11 46.734 5.463 3.406 122 HG13 ILE 11 HG11 ILE 11 46.031 7.023 2.933 123 HG21 ILE 11 HG21 ILE 11 44.410 3.652 3.797 124 HG22 ILE 11 HG22 ILE 11 45.797 3.415 2.709 125 HG23 ILE 11 HG23 ILE 11 44.139 3.285 2.080 126 HD11 ILE 11 HD1 ILE 11 44.248 6.644 4.724 127 HD12 ILE 11 HD2 ILE 11 45.898 6.909 5.328 128 HD13 ILE 11 HD3 ILE 11 45.223 5.265 5.284 129 H GLY 12 HN GLY 12 46.867 7.342 0.511 130 HA2 GLY 12 HA1 GLY 12 45.327 9.670 0.845 131 HA3 GLY 12 HA2 GLY 12 46.767 9.546 -0.191 132 H LYS 13 HN LYS 13 45.955 7.813 -2.147 133 HA LYS 13 HA LYS 13 44.654 9.383 -4.032 134 HB2 LYS 13 HB2 LYS 13 45.708 7.294 -4.640 135 HB3 LYS 13 HB1 LYS 13 44.574 6.365 -3.642 136 HG2 LYS 13 HG2 LYS 13 43.307 8.110 -5.739 137 HG3 LYS 13 HG1 LYS 13 44.270 6.762 -6.367 138 HD2 LYS 13 HD2 LYS 13 42.228 6.277 -4.163 139 HD3 LYS 13 HD1 LYS 13 41.711 6.378 -5.859 140 HE2 LYS 13 HE2 LYS 13 43.388 4.586 -6.425 141 HE3 LYS 13 HE1 LYS 13 43.755 4.433 -4.691 142 HZ1 LYS 13 HZ1 LYS 13 42.118 2.809 -5.353 143 HZ2 LYS 13 HZ2 LYS 13 41.101 4.020 -5.974 144 HZ3 LYS 13 HZ3 LYS 13 41.404 3.935 -4.304 145 H GLY 14 HN GLY 14 43.316 7.863 -1.243 146 HA2 GLY 14 HA1 GLY 14 40.516 8.073 -2.219 147 HA3 GLY 14 HA2 GLY 14 41.070 7.340 -0.702 148 H VAL 15 HN VAL 15 42.641 9.414 0.385 149 HA VAL 15 HA VAL 15 40.453 11.409 0.971 150 HB VAL 15 HB VAL 15 41.863 11.917 3.029 151 HG11 VAL 15 HG11 VAL 15 39.881 10.507 3.190 152 HG12 VAL 15 HG12 VAL 15 41.170 9.799 4.194 153 HG13 VAL 15 HG13 VAL 15 40.790 9.096 2.603 154 HG21 VAL 15 HG21 VAL 15 44.018 11.034 2.276 155 HG22 VAL 15 HG22 VAL 15 43.316 9.413 2.061 156 HG23 VAL 15 HG23 VAL 15 43.475 10.105 3.690 157 H LYS 16 HN LYS 16 43.954 11.141 0.261 158 HA LYS 16 HA LYS 16 44.696 13.819 0.408 159 HB2 LYS 16 HB2 LYS 16 46.132 11.811 -0.223 160 HB3 LYS 16 HB1 LYS 16 45.503 11.984 -1.874 161 HG2 LYS 16 HG2 LYS 16 47.462 13.266 -2.024 162 HG3 LYS 16 HG1 LYS 16 46.285 14.523 -1.590 163 HD2 LYS 16 HD2 LYS 16 46.944 14.355 0.782 164 HD3 LYS 16 HD1 LYS 16 48.063 13.026 0.393 165 HE2 LYS 16 HE2 LYS 16 49.335 15.101 0.536 166 HE3 LYS 16 HE1 LYS 16 49.279 14.584 -1.166 167 HZ1 LYS 16 HZ1 LYS 16 48.155 16.926 0.086 168 HZ2 LYS 16 HZ2 LYS 16 47.046 16.100 -0.902 169 HZ3 LYS 16 HZ3 LYS 16 48.525 16.636 -1.545 170 H ILE 17 HN ILE 17 43.804 12.289 -2.732 171 HA ILE 17 HA ILE 17 43.274 14.911 -3.895 172 HB ILE 17 HB ILE 17 42.530 13.639 -5.886 173 HG12 ILE 17 HG12 ILE 17 42.927 11.220 -4.062 174 HG13 ILE 17 HG11 ILE 17 41.383 11.773 -4.753 175 HG21 ILE 17 HG21 ILE 17 45.013 12.332 -4.705 176 HG22 ILE 17 HG22 ILE 17 44.993 14.016 -5.277 177 HG23 ILE 17 HG23 ILE 17 44.669 12.687 -6.413 178 HD11 ILE 17 HD1 ILE 17 42.039 10.046 -6.225 179 HD12 ILE 17 HD2 ILE 17 43.753 10.518 -6.171 180 HD13 ILE 17 HD3 ILE 17 42.581 11.515 -7.069 181 H ILE 18 HN ILE 18 41.678 14.317 -1.516 182 HA ILE 18 HA ILE 18 39.469 14.423 -0.809 183 HB ILE 18 HB ILE 18 38.874 15.709 -3.507 184 HG12 ILE 18 HG12 ILE 18 40.199 16.921 -1.036 185 HG13 ILE 18 HG11 ILE 18 40.951 16.699 -2.633 186 HG21 ILE 18 HG21 ILE 18 37.829 16.405 -0.731 187 HG22 ILE 18 HG22 ILE 18 37.040 15.191 -1.769 188 HG23 ILE 18 HG23 ILE 18 37.162 16.881 -2.310 189 HD11 ILE 18 HD1 ILE 18 40.266 18.972 -2.631 190 HD12 ILE 18 HD2 ILE 18 38.717 18.597 -1.840 191 HD13 ILE 18 HD3 ILE 18 38.982 18.143 -3.542 192 H GLY 19 HN GLY 19 38.709 12.360 -0.670 193 HA2 GLY 19 HA1 GLY 19 38.142 10.680 -2.897 194 HA3 GLY 19 HA2 GLY 19 37.490 10.490 -1.258 195 H GLY 20 HN GLY 20 36.511 10.533 -4.288 196 HA2 GLY 20 HA1 GLY 20 34.591 12.526 -4.640 197 HA3 GLY 20 HA2 GLY 20 34.413 10.857 -5.216 198 H ALA 21 HN ALA 21 32.620 13.041 -3.853 199 HA ALA 21 HA ALA 21 30.857 13.011 -2.322 200 HB1 ALA 21 HB1 ALA 21 30.168 11.149 -3.799 201 HB2 ALA 21 HB2 ALA 21 29.649 10.903 -2.114 202 HB3 ALA 21 HB3 ALA 21 31.054 10.016 -2.752 203 H ALA 22 HN ALA 22 33.778 12.555 -1.427 204 HA ALA 22 HA ALA 22 34.869 12.130 0.593 205 HB1 ALA 22 HB1 ALA 22 33.679 12.596 2.630 206 HB2 ALA 22 HB2 ALA 22 32.108 12.297 1.850 207 HB3 ALA 22 HB3 ALA 22 33.071 13.724 1.398 208 H LEU 23 HN LEU 23 34.317 9.992 -0.998 209 HA LEU 23 HA LEU 23 34.102 7.684 -0.967 210 HB2 LEU 23 HB2 LEU 23 34.501 7.850 2.047 211 HB3 LEU 23 HB1 LEU 23 34.932 6.515 0.954 212 HG LEU 23 HG LEU 23 36.185 9.300 0.926 213 HD11 LEU 23 HD11 LEU 23 36.796 7.926 2.912 214 HD12 LEU 23 HD12 LEU 23 38.178 8.155 1.815 215 HD13 LEU 23 HD13 LEU 23 37.300 6.607 1.829 216 HD21 LEU 23 HD21 LEU 23 37.871 8.026 -0.578 217 HD22 LEU 23 HD22 LEU 23 36.302 8.434 -1.303 218 HD23 LEU 23 HD23 LEU 23 36.612 6.778 -0.731 219 H ASP 24 HN ASP 24 31.869 9.613 -0.348 220 HA ASP 24 HA ASP 24 29.676 9.595 0.433 221 HB2 ASP 24 HB2 ASP 24 28.420 7.524 -0.266 222 HB3 ASP 24 HB1 ASP 24 29.399 8.289 -1.548 223 H HIS 25 HN HIS 25 31.343 9.400 2.485 224 HA HIS 25 HA HIS 25 30.768 7.115 4.201 225 HB2 HIS 25 HB2 HIS 25 32.876 8.501 4.250 226 HB3 HIS 25 HB1 HIS 25 31.916 9.840 4.919 227 HD1 HIS 25 HD1 HIS 25 31.978 6.070 5.727 228 HD2 HIS 25 HD2 HIS 25 32.382 9.795 7.639 229 HE1 HIS 25 HE1 HIS 25 32.238 5.618 8.228 230 H LEU 26 HN LEU 26 28.370 8.320 3.224 231 HA LEU 26 HA LEU 26 27.197 10.188 5.018 232 HB2 LEU 26 HB2 LEU 26 26.066 7.987 3.259 233 HB3 LEU 26 HB1 LEU 26 25.001 8.985 4.278 234 HG LEU 26 HG LEU 26 25.919 11.037 3.203 235 HD11 LEU 26 HD11 LEU 26 27.217 10.601 1.001 236 HD12 LEU 26 HD12 LEU 26 27.534 8.975 1.653 237 HD13 LEU 26 HD13 LEU 26 28.119 10.414 2.523 238 HD21 LEU 26 HD21 LEU 26 24.874 8.920 1.266 239 HD22 LEU 26 HD22 LEU 26 24.841 10.678 0.988 240 HD23 LEU 26 HD23 LEU 26 23.879 9.968 2.306 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 52.173 0.930 -2.842 2 H2 GLY 1 HT2 GLY 1 52.913 -0.089 -1.700 3 H3 GLY 1 HT3 GLY 1 52.591 -0.657 -3.270 4 HA2 GLY 1 HA1 GLY 1 54.804 -0.232 -3.362 5 HA3 GLY 1 HA2 GLY 1 54.061 1.228 -4.046 6 H ARG 2 HN ARG 2 56.447 1.773 -3.319 7 HA ARG 2 HA ARG 2 56.158 3.611 -1.117 8 HB2 ARG 2 HB2 ARG 2 57.882 2.547 0.385 9 HB3 ARG 2 HB1 ARG 2 56.331 1.675 0.318 10 HG2 ARG 2 HG2 ARG 2 57.276 0.114 -1.358 11 HG3 ARG 2 HG1 ARG 2 58.828 0.985 -1.295 12 HD2 ARG 2 HD2 ARG 2 57.497 -0.321 1.117 13 HD3 ARG 2 HD1 ARG 2 58.779 -1.082 0.146 14 HE ARG 2 HE ARG 2 59.749 1.458 0.927 15 HH11 ARG 2 HH11 ARG 2 61.244 1.522 2.626 16 HH12 ARG 2 HH12 ARG 2 61.147 0.340 3.889 17 HH21 ARG 2 HH21 ARG 2 58.507 -1.379 2.438 18 HH22 ARG 2 HH22 ARG 2 59.597 -1.302 3.782 19 H ARG 3 HN ARG 3 56.957 3.827 -3.792 20 HA ARG 3 HA ARG 3 59.780 3.714 -4.186 21 HB2 ARG 3 HB2 ARG 3 58.140 4.042 -6.011 22 HB3 ARG 3 HB1 ARG 3 57.768 5.664 -5.379 23 HG2 ARG 3 HG2 ARG 3 59.985 6.458 -5.837 24 HG3 ARG 3 HG1 ARG 3 60.591 4.812 -6.143 25 HD2 ARG 3 HD2 ARG 3 60.026 6.349 -8.198 26 HD3 ARG 3 HD1 ARG 3 59.485 4.654 -8.223 27 HE ARG 3 HE ARG 3 57.264 5.442 -8.146 28 HH11 ARG 3 HH11 ARG 3 59.244 8.089 -8.466 29 HH12 ARG 3 HH12 ARG 3 58.164 9.228 -7.733 30 HH21 ARG 3 HH21 ARG 3 55.955 6.805 -6.601 31 HH22 ARG 3 HH22 ARG 3 56.300 8.501 -6.677 32 H LYS 4 HN LYS 4 57.667 6.405 -3.102 33 HA LYS 4 HA LYS 4 60.021 8.096 -2.515 34 HB2 LYS 4 HB2 LYS 4 57.026 8.454 -2.101 35 HB3 LYS 4 HB1 LYS 4 58.240 9.664 -1.624 36 HG2 LYS 4 HG2 LYS 4 59.075 9.670 -4.007 37 HG3 LYS 4 HG1 LYS 4 57.716 8.602 -4.434 38 HD2 LYS 4 HD2 LYS 4 56.095 10.275 -3.816 39 HD3 LYS 4 HD1 LYS 4 57.342 11.299 -3.066 40 HE2 LYS 4 HE2 LYS 4 56.611 12.050 -5.378 41 HE3 LYS 4 HE1 LYS 4 58.360 11.765 -5.208 42 HZ1 LYS 4 HZ1 LYS 4 58.202 9.737 -6.327 43 HZ2 LYS 4 HZ2 LYS 4 57.201 10.775 -7.225 44 HZ3 LYS 4 HZ3 LYS 4 56.518 9.646 -6.155 45 H ARG 5 HN ARG 5 57.175 7.520 -0.460 46 HA ARG 5 HA ARG 5 58.623 6.138 1.628 47 HB2 ARG 5 HB2 ARG 5 59.683 8.361 1.886 48 HB3 ARG 5 HB1 ARG 5 58.078 9.105 2.068 49 HG2 ARG 5 HG2 ARG 5 57.655 7.824 4.101 50 HG3 ARG 5 HG1 ARG 5 59.168 6.910 3.883 51 HD2 ARG 5 HD2 ARG 5 58.966 9.925 4.301 52 HD3 ARG 5 HD1 ARG 5 59.430 8.744 5.548 53 HE ARG 5 HE ARG 5 61.097 9.620 3.260 54 HH11 ARG 5 HH11 ARG 5 62.286 7.384 2.794 55 HH12 ARG 5 HH12 ARG 5 63.156 6.841 4.190 56 HH21 ARG 5 HH21 ARG 5 61.468 8.930 6.383 57 HH22 ARG 5 HH22 ARG 5 62.693 7.715 6.221 58 H LYS 6 HN LYS 6 56.293 8.808 2.029 59 HA LYS 6 HA LYS 6 54.008 6.938 2.124 60 HB2 LYS 6 HB2 LYS 6 55.048 8.366 4.607 61 HB3 LYS 6 HB1 LYS 6 53.392 7.734 4.464 62 HG2 LYS 6 HG2 LYS 6 54.428 5.464 3.899 63 HG3 LYS 6 HG1 LYS 6 55.997 6.158 4.369 64 HD2 LYS 6 HD2 LYS 6 54.936 6.793 6.592 65 HD3 LYS 6 HD1 LYS 6 53.526 5.818 6.112 66 HE2 LYS 6 HE2 LYS 6 54.934 3.822 5.892 67 HE3 LYS 6 HE1 LYS 6 56.391 4.778 6.254 68 HZ1 LYS 6 HZ1 LYS 6 54.458 3.663 8.045 69 HZ2 LYS 6 HZ2 LYS 6 54.663 5.329 8.310 70 HZ3 LYS 6 HZ3 LYS 6 56.001 4.284 8.374 71 H TRP 7 HN TRP 7 54.274 8.786 0.268 72 HA TRP 7 HA TRP 7 52.177 10.755 0.996 73 HB2 TRP 7 HB2 TRP 7 54.961 11.553 0.056 74 HB3 TRP 7 HB1 TRP 7 53.547 12.630 -0.020 75 HD1 TRP 7 HD1 TRP 7 52.154 12.538 2.565 76 HE1 TRP 7 HE1 TRP 7 53.236 13.041 4.874 77 HE3 TRP 7 HE3 TRP 7 57.059 11.692 1.362 78 HZ2 TRP 7 HZ2 TRP 7 55.879 13.064 6.015 79 HZ3 TRP 7 HZ3 TRP 7 58.843 11.960 3.077 80 HH2 TRP 7 HH2 TRP 7 58.259 12.645 5.399 81 H LEU 8 HN LEU 8 53.651 8.585 -1.096 82 HA LEU 8 HA LEU 8 53.222 9.684 -3.660 83 HB2 LEU 8 HB2 LEU 8 52.678 7.154 -4.241 84 HB3 LEU 8 HB1 LEU 8 54.311 7.618 -3.732 85 HG LEU 8 HG LEU 8 52.429 6.910 -1.486 86 HD11 LEU 8 HD11 LEU 8 51.810 5.210 -3.189 87 HD12 LEU 8 HD12 LEU 8 52.681 4.486 -1.817 88 HD13 LEU 8 HD13 LEU 8 53.525 4.767 -3.359 89 HD21 LEU 8 HD21 LEU 8 54.976 7.447 -1.384 90 HD22 LEU 8 HD22 LEU 8 55.215 5.823 -2.061 91 HD23 LEU 8 HD23 LEU 8 54.401 6.021 -0.491 92 H ARG 9 HN ARG 9 50.998 7.104 -2.591 93 HA ARG 9 HA ARG 9 48.668 8.851 -2.630 94 HB2 ARG 9 HB2 ARG 9 47.590 7.682 -4.622 95 HB3 ARG 9 HB1 ARG 9 48.875 8.845 -5.003 96 HG2 ARG 9 HG2 ARG 9 49.255 6.885 -6.362 97 HG3 ARG 9 HG1 ARG 9 50.506 6.907 -5.106 98 HD2 ARG 9 HD2 ARG 9 49.572 5.079 -3.961 99 HD3 ARG 9 HD1 ARG 9 47.938 5.372 -4.606 100 HE ARG 9 HE ARG 9 49.717 4.708 -6.760 101 HH11 ARG 9 HH11 ARG 9 50.753 2.483 -5.517 102 HH12 ARG 9 HH12 ARG 9 49.504 1.283 -5.502 103 HH21 ARG 9 HH21 ARG 9 46.952 3.553 -6.100 104 HH22 ARG 9 HH22 ARG 9 47.352 1.889 -5.832 105 H ARG 10 HN ARG 10 50.154 6.553 -1.206 106 HA ARG 10 HA ARG 10 48.729 4.168 -1.200 107 HB2 ARG 10 HB2 ARG 10 49.091 4.396 1.464 108 HB3 ARG 10 HB1 ARG 10 50.459 4.145 0.356 109 HG2 ARG 10 HG2 ARG 10 51.093 6.430 0.409 110 HG3 ARG 10 HG1 ARG 10 49.527 6.952 1.066 111 HD2 ARG 10 HD2 ARG 10 51.467 5.146 2.570 112 HD3 ARG 10 HD1 ARG 10 51.422 6.915 2.756 113 HE ARG 10 HE ARG 10 48.796 5.736 3.139 114 HH11 ARG 10 HH11 ARG 10 50.017 8.007 4.727 115 HH12 ARG 10 HH12 ARG 10 50.235 7.267 6.277 116 HH21 ARG 10 HH21 ARG 10 49.873 4.033 5.079 117 HH22 ARG 10 HH22 ARG 10 50.153 5.017 6.476 118 H ILE 11 HN ILE 11 47.987 6.229 1.573 119 HA ILE 11 HA ILE 11 45.175 5.436 1.427 120 HB ILE 11 HB ILE 11 46.308 5.706 3.619 121 HG12 ILE 11 HG12 ILE 11 44.639 7.109 4.751 122 HG13 ILE 11 HG11 ILE 11 44.193 7.881 3.217 123 HG21 ILE 11 HG21 ILE 11 47.080 7.865 4.395 124 HG22 ILE 11 HG22 ILE 11 46.439 8.674 2.946 125 HG23 ILE 11 HG23 ILE 11 47.823 7.565 2.807 126 HD11 ILE 11 HD1 ILE 11 44.012 4.863 3.495 127 HD12 ILE 11 HD2 ILE 11 43.106 5.946 2.411 128 HD13 ILE 11 HD3 ILE 11 42.718 5.897 4.146 129 H GLY 12 HN GLY 12 47.155 8.001 0.241 130 HA2 GLY 12 HA1 GLY 12 45.323 10.159 0.173 131 HA3 GLY 12 HA2 GLY 12 46.628 9.881 -1.002 132 H LYS 13 HN LYS 13 45.758 7.406 -2.042 133 HA LYS 13 HA LYS 13 44.122 8.159 -4.167 134 HB2 LYS 13 HB2 LYS 13 45.317 6.020 -4.083 135 HB3 LYS 13 HB1 LYS 13 44.251 5.454 -2.776 136 HG2 LYS 13 HG2 LYS 13 42.330 5.436 -4.221 137 HG3 LYS 13 HG1 LYS 13 43.196 6.327 -5.495 138 HD2 LYS 13 HD2 LYS 13 43.033 3.895 -6.016 139 HD3 LYS 13 HD1 LYS 13 44.722 4.417 -5.822 140 HE2 LYS 13 HE2 LYS 13 44.922 3.391 -3.694 141 HE3 LYS 13 HE1 LYS 13 43.158 3.287 -3.473 142 HZ1 LYS 13 HZ1 LYS 13 44.445 1.882 -5.725 143 HZ2 LYS 13 HZ2 LYS 13 42.997 1.520 -4.915 144 HZ3 LYS 13 HZ3 LYS 13 44.491 1.199 -4.174 145 H GLY 14 HN GLY 14 43.237 7.753 -0.867 146 HA2 GLY 14 HA1 GLY 14 40.330 7.478 -1.532 147 HA3 GLY 14 HA2 GLY 14 41.081 7.229 0.055 148 H VAL 15 HN VAL 15 42.649 9.584 0.231 149 HA VAL 15 HA VAL 15 40.431 11.610 0.529 150 HB VAL 15 HB VAL 15 41.996 12.689 2.198 151 HG11 VAL 15 HG11 VAL 15 40.131 11.194 2.875 152 HG12 VAL 15 HG12 VAL 15 41.525 11.034 3.970 153 HG13 VAL 15 HG13 VAL 15 41.214 9.790 2.736 154 HG21 VAL 15 HG21 VAL 15 43.538 10.097 1.730 155 HG22 VAL 15 HG22 VAL 15 43.803 11.184 3.111 156 HG23 VAL 15 HG23 VAL 15 44.127 11.754 1.459 157 H LYS 16 HN LYS 16 43.820 11.171 -0.523 158 HA LYS 16 HA LYS 16 44.193 13.915 -1.311 159 HB2 LYS 16 HB2 LYS 16 45.997 12.162 -0.918 160 HB3 LYS 16 HB1 LYS 16 45.554 11.465 -2.491 161 HG2 LYS 16 HG2 LYS 16 47.303 12.904 -3.114 162 HG3 LYS 16 HG1 LYS 16 45.895 13.952 -3.378 163 HD2 LYS 16 HD2 LYS 16 46.245 15.031 -1.197 164 HD3 LYS 16 HD1 LYS 16 47.576 13.908 -0.827 165 HE2 LYS 16 HE2 LYS 16 48.802 14.760 -2.838 166 HE3 LYS 16 HE1 LYS 16 47.498 15.945 -3.094 167 HZ1 LYS 16 HZ1 LYS 16 48.151 17.174 -1.332 168 HZ2 LYS 16 HZ2 LYS 16 49.660 16.456 -1.645 169 HZ3 LYS 16 HZ3 LYS 16 48.659 15.837 -0.419 170 H ILE 17 HN ILE 17 42.774 11.088 -2.886 171 HA ILE 17 HA ILE 17 42.863 11.762 -5.574 172 HB ILE 17 HB ILE 17 41.712 9.748 -4.628 173 HG12 ILE 17 HG12 ILE 17 39.946 11.420 -6.478 174 HG13 ILE 17 HG11 ILE 17 41.398 10.538 -7.002 175 HG21 ILE 17 HG21 ILE 17 39.322 11.586 -4.205 176 HG22 ILE 17 HG22 ILE 17 40.436 11.150 -2.887 177 HG23 ILE 17 HG23 ILE 17 39.501 9.885 -3.716 178 HD11 ILE 17 HD1 ILE 17 38.796 9.401 -5.919 179 HD12 ILE 17 HD2 ILE 17 40.291 8.437 -5.980 180 HD13 ILE 17 HD3 ILE 17 39.578 9.073 -7.481 181 H ILE 18 HN ILE 18 41.206 13.485 -3.024 182 HA ILE 18 HA ILE 18 40.589 15.655 -4.899 183 HB ILE 18 HB ILE 18 38.616 14.133 -5.210 184 HG12 ILE 18 HG12 ILE 18 37.997 16.744 -3.753 185 HG13 ILE 18 HG11 ILE 18 38.476 16.621 -5.461 186 HG21 ILE 18 HG21 ILE 18 38.734 13.349 -2.729 187 HG22 ILE 18 HG22 ILE 18 37.127 13.615 -3.438 188 HG23 ILE 18 HG23 ILE 18 37.831 14.838 -2.357 189 HD11 ILE 18 HD1 ILE 18 36.486 15.021 -5.760 190 HD12 ILE 18 HD2 ILE 18 36.084 16.730 -5.468 191 HD13 ILE 18 HD3 ILE 18 35.953 15.548 -4.145 192 H GLY 19 HN GLY 19 39.865 14.285 -1.648 193 HA2 GLY 19 HA1 GLY 19 41.244 16.062 -0.088 194 HA3 GLY 19 HA2 GLY 19 39.778 16.982 -0.478 195 H GLY 20 HN GLY 20 38.988 13.744 -0.540 196 HA2 GLY 20 HA1 GLY 20 37.854 12.376 0.940 197 HA3 GLY 20 HA2 GLY 20 38.795 13.125 2.246 198 H ALA 21 HN ALA 21 37.279 15.560 0.545 199 HA ALA 21 HA ALA 21 35.434 16.076 2.731 200 HB1 ALA 21 HB1 ALA 21 36.534 17.872 1.438 201 HB2 ALA 21 HB2 ALA 21 34.760 18.014 1.392 202 HB3 ALA 21 HB3 ALA 21 35.639 17.365 -0.014 203 H ALA 22 HN ALA 22 35.268 13.697 0.610 204 HA ALA 22 HA ALA 22 32.346 13.539 0.758 205 HB1 ALA 22 HB1 ALA 22 33.744 13.919 -1.910 206 HB2 ALA 22 HB2 ALA 22 32.448 14.917 -1.210 207 HB3 ALA 22 HB3 ALA 22 32.104 13.253 -1.741 208 H LEU 23 HN LEU 23 35.358 12.317 -0.741 209 HA LEU 23 HA LEU 23 34.300 9.573 -0.864 210 HB2 LEU 23 HB2 LEU 23 36.982 10.870 -1.441 211 HB3 LEU 23 HB1 LEU 23 36.789 9.107 -1.457 212 HG LEU 23 HG LEU 23 36.560 10.312 -3.714 213 HD11 LEU 23 HD11 LEU 23 34.032 8.771 -3.013 214 HD12 LEU 23 HD12 LEU 23 35.617 7.973 -3.100 215 HD13 LEU 23 HD13 LEU 23 34.950 8.782 -4.532 216 HD21 LEU 23 HD21 LEU 23 33.810 11.076 -2.639 217 HD22 LEU 23 HD22 LEU 23 34.509 11.474 -4.223 218 HD23 LEU 23 HD23 LEU 23 35.177 12.209 -2.748 219 H ASP 24 HN ASP 24 33.839 10.148 1.641 220 HA ASP 24 HA ASP 24 35.574 8.327 3.090 221 HB2 ASP 24 HB2 ASP 24 37.000 10.375 3.112 222 HB3 ASP 24 HB1 ASP 24 35.675 11.258 3.910 223 H HIS 25 HN HIS 25 33.363 11.129 3.486 224 HA HIS 25 HA HIS 25 31.981 9.715 5.723 225 HB2 HIS 25 HB2 HIS 25 31.530 12.477 4.522 226 HB3 HIS 25 HB1 HIS 25 30.783 11.836 6.005 227 HD1 HIS 25 HD1 HIS 25 33.295 14.110 5.184 228 HD2 HIS 25 HD2 HIS 25 33.222 10.760 7.725 229 HE1 HIS 25 HE1 HIS 25 35.246 14.349 6.818 230 H LEU 26 HN LEU 26 31.306 8.016 4.092 231 HA LEU 26 HA LEU 26 29.101 8.874 2.288 232 HB2 LEU 26 HB2 LEU 26 29.046 6.339 1.811 233 HB3 LEU 26 HB1 LEU 26 30.486 7.235 1.284 234 HG LEU 26 HG LEU 26 30.568 6.066 4.074 235 HD11 LEU 26 HD11 LEU 26 29.614 4.175 2.902 236 HD12 LEU 26 HD12 LEU 26 31.355 3.864 3.111 237 HD13 LEU 26 HD13 LEU 26 30.728 4.393 1.531 238 HD21 LEU 26 HD21 LEU 26 32.900 5.894 3.639 239 HD22 LEU 26 HD22 LEU 26 32.432 7.400 2.817 240 HD23 LEU 26 HD23 LEU 26 32.673 5.913 1.875 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 54.295 -1.467 0.802 2 H2 GLY 1 HT2 GLY 1 55.396 -2.310 1.785 3 H3 GLY 1 HT3 GLY 1 54.677 -3.081 0.452 4 HA2 GLY 1 HA1 GLY 1 56.868 -2.549 -0.130 5 HA3 GLY 1 HA2 GLY 1 55.755 -1.492 -1.020 6 H ARG 2 HN ARG 2 55.137 0.566 0.338 7 HA ARG 2 HA ARG 2 55.944 2.617 1.058 8 HB2 ARG 2 HB2 ARG 2 56.143 1.176 3.160 9 HB3 ARG 2 HB1 ARG 2 57.874 1.015 2.777 10 HG2 ARG 2 HG2 ARG 2 58.104 3.489 2.795 11 HG3 ARG 2 HG1 ARG 2 56.378 3.642 3.197 12 HD2 ARG 2 HD2 ARG 2 58.469 2.199 4.885 13 HD3 ARG 2 HD1 ARG 2 57.785 3.805 5.231 14 HE ARG 2 HE ARG 2 55.602 2.020 4.977 15 HH11 ARG 2 HH11 ARG 2 58.504 1.567 6.662 16 HH12 ARG 2 HH12 ARG 2 57.756 1.290 8.199 17 HH21 ARG 2 HH21 ARG 2 54.565 2.065 7.085 18 HH22 ARG 2 HH22 ARG 2 55.527 1.572 8.439 19 H ARG 3 HN ARG 3 56.872 2.408 -1.300 20 HA ARG 3 HA ARG 3 59.829 2.302 -1.383 21 HB2 ARG 3 HB2 ARG 3 57.844 3.077 -3.556 22 HB3 ARG 3 HB1 ARG 3 59.556 2.640 -3.772 23 HG2 ARG 3 HG2 ARG 3 59.034 0.386 -2.753 24 HG3 ARG 3 HG1 ARG 3 57.311 0.835 -2.774 25 HD2 ARG 3 HD2 ARG 3 57.820 -0.459 -4.785 26 HD3 ARG 3 HD1 ARG 3 57.491 1.227 -5.248 27 HE ARG 3 HE ARG 3 60.269 1.077 -4.869 28 HH11 ARG 3 HH11 ARG 3 59.357 -1.719 -6.013 29 HH12 ARG 3 HH12 ARG 3 59.749 -1.477 -7.682 30 HH21 ARG 3 HH21 ARG 3 60.135 1.955 -7.368 31 HH22 ARG 3 HH22 ARG 3 60.189 0.603 -8.450 32 H LYS 4 HN LYS 4 57.300 4.641 -0.972 33 HA LYS 4 HA LYS 4 59.354 6.840 -1.092 34 HB2 LYS 4 HB2 LYS 4 56.498 7.053 -2.130 35 HB3 LYS 4 HB1 LYS 4 57.756 8.310 -2.178 36 HG2 LYS 4 HG2 LYS 4 59.153 6.830 -3.620 37 HG3 LYS 4 HG1 LYS 4 57.846 5.621 -3.615 38 HD2 LYS 4 HD2 LYS 4 56.305 7.347 -4.587 39 HD3 LYS 4 HD1 LYS 4 57.683 8.469 -4.693 40 HE2 LYS 4 HE2 LYS 4 57.429 7.399 -6.858 41 HE3 LYS 4 HE1 LYS 4 58.889 6.735 -6.087 42 HZ1 LYS 4 HZ1 LYS 4 56.634 5.350 -6.982 43 HZ2 LYS 4 HZ2 LYS 4 56.654 5.220 -5.288 44 HZ3 LYS 4 HZ3 LYS 4 58.001 4.723 -6.198 45 H ARG 5 HN ARG 5 58.693 5.518 1.234 46 HA ARG 5 HA ARG 5 57.693 5.789 3.327 47 HB2 ARG 5 HB2 ARG 5 58.350 8.641 2.500 48 HB3 ARG 5 HB1 ARG 5 57.853 8.185 4.148 49 HG2 ARG 5 HG2 ARG 5 59.750 6.587 4.274 50 HG3 ARG 5 HG1 ARG 5 60.255 7.069 2.635 51 HD2 ARG 5 HD2 ARG 5 60.501 9.425 3.437 52 HD3 ARG 5 HD1 ARG 5 60.090 8.883 5.081 53 HE ARG 5 HE ARG 5 62.305 7.366 3.966 54 HH11 ARG 5 HH11 ARG 5 62.182 8.143 6.819 55 HH12 ARG 5 HH12 ARG 5 63.363 9.407 6.925 56 HH21 ARG 5 HH21 ARG 5 63.482 9.940 3.501 57 HH22 ARG 5 HH22 ARG 5 64.100 10.424 5.045 58 H LYS 6 HN LYS 6 56.470 8.947 2.955 59 HA LYS 6 HA LYS 6 53.658 7.872 2.692 60 HB2 LYS 6 HB2 LYS 6 54.505 10.453 4.060 61 HB3 LYS 6 HB1 LYS 6 52.933 9.623 4.148 62 HG2 LYS 6 HG2 LYS 6 55.576 8.521 5.208 63 HG3 LYS 6 HG1 LYS 6 54.285 9.243 6.196 64 HD2 LYS 6 HD2 LYS 6 52.726 7.450 5.130 65 HD3 LYS 6 HD1 LYS 6 54.228 6.646 4.613 66 HE2 LYS 6 HE2 LYS 6 55.005 6.654 6.998 67 HE3 LYS 6 HE1 LYS 6 53.433 7.337 7.475 68 HZ1 LYS 6 HZ1 LYS 6 53.601 4.849 5.880 69 HZ2 LYS 6 HZ2 LYS 6 52.322 5.413 6.846 70 HZ3 LYS 6 HZ3 LYS 6 53.736 4.811 7.570 71 H TRP 7 HN TRP 7 54.319 8.077 0.313 72 HA TRP 7 HA TRP 7 53.188 10.632 -0.650 73 HB2 TRP 7 HB2 TRP 7 56.017 9.749 -1.349 74 HB3 TRP 7 HB1 TRP 7 55.097 10.964 -2.268 75 HD1 TRP 7 HD1 TRP 7 53.901 12.854 -0.321 76 HE1 TRP 7 HE1 TRP 7 55.245 14.237 1.420 77 HE3 TRP 7 HE3 TRP 7 58.136 9.981 -0.096 78 HZ2 TRP 7 HZ2 TRP 7 57.813 14.091 2.715 79 HZ3 TRP 7 HZ3 TRP 7 60.019 10.624 1.398 80 HH2 TRP 7 HH2 TRP 7 59.861 12.676 2.802 81 H LEU 8 HN LEU 8 53.810 7.306 -0.824 82 HA LEU 8 HA LEU 8 53.436 6.927 -3.661 83 HB2 LEU 8 HB2 LEU 8 53.182 4.580 -3.148 84 HB3 LEU 8 HB1 LEU 8 54.482 5.242 -2.141 85 HG LEU 8 HG LEU 8 51.601 4.807 -1.200 86 HD11 LEU 8 HD11 LEU 8 54.143 3.212 -0.663 87 HD12 LEU 8 HD12 LEU 8 52.788 2.689 -1.692 88 HD13 LEU 8 HD13 LEU 8 52.544 2.906 0.058 89 HD21 LEU 8 HD21 LEU 8 52.521 6.517 0.176 90 HD22 LEU 8 HD22 LEU 8 54.151 5.805 0.135 91 HD23 LEU 8 HD23 LEU 8 52.862 5.031 1.086 92 H ARG 9 HN ARG 9 51.377 8.365 -1.624 93 HA ARG 9 HA ARG 9 49.102 8.752 -1.667 94 HB2 ARG 9 HB2 ARG 9 49.112 7.320 -4.354 95 HB3 ARG 9 HB1 ARG 9 47.902 8.471 -3.756 96 HG2 ARG 9 HG2 ARG 9 50.820 9.304 -4.007 97 HG3 ARG 9 HG1 ARG 9 49.751 9.326 -5.422 98 HD2 ARG 9 HD2 ARG 9 49.243 10.797 -2.796 99 HD3 ARG 9 HD1 ARG 9 49.791 11.535 -4.316 100 HE ARG 9 HE ARG 9 47.059 10.758 -3.691 101 HH11 ARG 9 HH11 ARG 9 47.121 9.116 -5.982 102 HH12 ARG 9 HH12 ARG 9 46.982 10.194 -7.332 103 HH21 ARG 9 HH21 ARG 9 47.876 13.008 -5.515 104 HH22 ARG 9 HH22 ARG 9 47.411 12.396 -7.068 105 H ARG 10 HN ARG 10 49.930 6.526 -0.209 106 HA ARG 10 HA ARG 10 48.595 4.105 -0.809 107 HB2 ARG 10 HB2 ARG 10 48.376 4.075 1.883 108 HB3 ARG 10 HB1 ARG 10 49.942 3.861 1.073 109 HG2 ARG 10 HG2 ARG 10 50.561 6.149 1.429 110 HG3 ARG 10 HG1 ARG 10 48.919 6.599 1.928 111 HD2 ARG 10 HD2 ARG 10 50.835 4.753 3.418 112 HD3 ARG 10 HD1 ARG 10 50.338 6.388 3.911 113 HE ARG 10 HE ARG 10 47.947 4.973 3.687 114 HH11 ARG 10 HH11 ARG 10 49.440 2.536 4.444 115 HH12 ARG 10 HH12 ARG 10 49.412 2.588 6.175 116 HH21 ARG 10 HH21 ARG 10 48.548 5.943 6.322 117 HH22 ARG 10 HH22 ARG 10 48.906 4.517 7.239 118 H ILE 11 HN ILE 11 47.289 5.977 1.915 119 HA ILE 11 HA ILE 11 44.556 5.408 0.915 120 HB ILE 11 HB ILE 11 43.856 6.511 3.082 121 HG12 ILE 11 HG12 ILE 11 46.813 6.385 3.832 122 HG13 ILE 11 HG11 ILE 11 46.085 7.870 3.191 123 HG21 ILE 11 HG21 ILE 11 44.502 4.606 4.460 124 HG22 ILE 11 HG22 ILE 11 45.895 4.261 3.409 125 HG23 ILE 11 HG23 ILE 11 44.239 4.034 2.799 126 HD11 ILE 11 HD1 ILE 11 45.989 8.024 5.590 127 HD12 ILE 11 HD2 ILE 11 45.318 6.387 5.738 128 HD13 ILE 11 HD3 ILE 11 44.334 7.692 5.036 129 H GLY 12 HN GLY 12 46.921 7.833 0.586 130 HA2 GLY 12 HA1 GLY 12 45.327 10.199 0.696 131 HA3 GLY 12 HA2 GLY 12 46.803 9.983 -0.271 132 H LYS 13 HN LYS 13 45.936 7.843 -1.882 133 HA LYS 13 HA LYS 13 44.707 9.182 -4.039 134 HB2 LYS 13 HB2 LYS 13 45.873 7.063 -4.325 135 HB3 LYS 13 HB1 LYS 13 44.697 6.233 -3.278 136 HG2 LYS 13 HG2 LYS 13 42.931 6.506 -4.880 137 HG3 LYS 13 HG1 LYS 13 43.884 7.664 -5.839 138 HD2 LYS 13 HD2 LYS 13 43.819 5.369 -6.857 139 HD3 LYS 13 HD1 LYS 13 45.469 5.906 -6.464 140 HE2 LYS 13 HE2 LYS 13 45.610 4.481 -4.571 141 HE3 LYS 13 HE1 LYS 13 43.846 4.260 -4.486 142 HZ1 LYS 13 HZ1 LYS 13 43.871 2.905 -6.383 143 HZ2 LYS 13 HZ2 LYS 13 45.192 2.370 -5.457 144 HZ3 LYS 13 HZ3 LYS 13 45.447 3.358 -6.816 145 H GLY 14 HN GLY 14 43.387 8.202 -1.059 146 HA2 GLY 14 HA1 GLY 14 40.590 8.118 -2.134 147 HA3 GLY 14 HA2 GLY 14 41.128 7.521 -0.554 148 H VAL 15 HN VAL 15 42.652 9.747 0.344 149 HA VAL 15 HA VAL 15 40.386 11.688 0.785 150 HB VAL 15 HB VAL 15 41.182 10.690 2.846 151 HG11 VAL 15 HG11 VAL 15 43.531 10.866 3.564 152 HG12 VAL 15 HG12 VAL 15 43.955 11.661 2.031 153 HG13 VAL 15 HG13 VAL 15 43.405 9.967 2.034 154 HG21 VAL 15 HG21 VAL 15 41.691 12.674 4.091 155 HG22 VAL 15 HG22 VAL 15 40.708 13.211 2.708 156 HG23 VAL 15 HG23 VAL 15 42.472 13.445 2.689 157 H LYS 16 HN LYS 16 43.861 11.490 -0.064 158 HA LYS 16 HA LYS 16 44.364 14.280 -0.144 159 HB2 LYS 16 HB2 LYS 16 45.936 12.177 -0.502 160 HB3 LYS 16 HB1 LYS 16 45.563 12.422 -2.222 161 HG2 LYS 16 HG2 LYS 16 46.717 14.530 -0.331 162 HG3 LYS 16 HG1 LYS 16 47.637 13.617 -1.550 163 HD2 LYS 16 HD2 LYS 16 45.924 14.558 -3.269 164 HD3 LYS 16 HD1 LYS 16 45.469 15.705 -1.986 165 HE2 LYS 16 HE2 LYS 16 47.930 16.321 -1.800 166 HE3 LYS 16 HE1 LYS 16 48.209 15.355 -3.269 167 HZ1 LYS 16 HZ1 LYS 16 46.126 17.454 -3.204 168 HZ2 LYS 16 HZ2 LYS 16 46.928 16.784 -4.544 169 HZ3 LYS 16 HZ3 LYS 16 47.745 17.855 -3.509 170 H ILE 17 HN ILE 17 43.674 12.161 -2.972 171 HA ILE 17 HA ILE 17 42.983 14.461 -4.628 172 HB ILE 17 HB ILE 17 43.969 12.340 -5.531 173 HG12 ILE 17 HG12 ILE 17 41.210 12.645 -6.793 174 HG13 ILE 17 HG11 ILE 17 42.363 13.995 -6.850 175 HG21 ILE 17 HG21 ILE 17 42.646 10.319 -5.676 176 HG22 ILE 17 HG22 ILE 17 41.212 11.138 -5.012 177 HG23 ILE 17 HG23 ILE 17 42.634 10.857 -3.982 178 HD11 ILE 17 HD1 ILE 17 44.050 12.491 -7.894 179 HD12 ILE 17 HD2 ILE 17 42.565 12.605 -8.870 180 HD13 ILE 17 HD3 ILE 17 42.864 11.164 -7.871 181 H ILE 18 HN ILE 18 41.461 13.302 -2.046 182 HA ILE 18 HA ILE 18 39.285 13.411 -1.279 183 HB ILE 18 HB ILE 18 38.555 14.901 -3.835 184 HG12 ILE 18 HG12 ILE 18 39.821 15.984 -1.275 185 HG13 ILE 18 HG11 ILE 18 40.618 15.888 -2.862 186 HG21 ILE 18 HG21 ILE 18 36.817 15.870 -2.501 187 HG22 ILE 18 HG22 ILE 18 37.540 15.271 -0.988 188 HG23 ILE 18 HG23 ILE 18 36.787 14.132 -2.129 189 HD11 ILE 18 HD1 ILE 18 38.604 17.301 -3.732 190 HD12 ILE 18 HD2 ILE 18 39.838 18.126 -2.752 191 HD13 ILE 18 HD3 ILE 18 38.293 17.647 -2.013 192 H GLY 19 HN GLY 19 38.363 11.479 -1.205 193 HA2 GLY 19 HA1 GLY 19 36.511 10.669 -3.250 194 HA3 GLY 19 HA2 GLY 19 38.001 9.711 -3.366 195 H GLY 20 HN GLY 20 38.191 7.952 -2.138 196 HA2 GLY 20 HA1 GLY 20 37.515 6.300 -0.654 197 HA3 GLY 20 HA2 GLY 20 37.479 7.626 0.522 198 H ALA 21 HN ALA 21 35.602 8.085 1.485 199 HA ALA 21 HA ALA 21 33.080 7.844 0.073 200 HB1 ALA 21 HB1 ALA 21 32.089 6.045 1.316 201 HB2 ALA 21 HB2 ALA 21 33.532 5.899 2.348 202 HB3 ALA 21 HB3 ALA 21 33.617 5.446 0.629 203 H ALA 22 HN ALA 22 32.603 9.935 0.729 204 HA ALA 22 HA ALA 22 31.947 11.599 2.233 205 HB1 ALA 22 HB1 ALA 22 31.459 9.401 4.264 206 HB2 ALA 22 HB2 ALA 22 30.363 9.676 2.891 207 HB3 ALA 22 HB3 ALA 22 30.622 10.961 4.093 208 H LEU 23 HN LEU 23 34.514 11.512 1.952 209 HA LEU 23 HA LEU 23 36.541 11.971 2.982 210 HB2 LEU 23 HB2 LEU 23 35.007 12.378 5.579 211 HB3 LEU 23 HB1 LEU 23 36.529 13.142 5.063 212 HG LEU 23 HG LEU 23 33.778 13.582 3.815 213 HD11 LEU 23 HD11 LEU 23 34.254 14.635 6.081 214 HD12 LEU 23 HD12 LEU 23 33.907 15.795 4.777 215 HD13 LEU 23 HD13 LEU 23 35.585 15.528 5.307 216 HD21 LEU 23 HD21 LEU 23 35.103 15.449 2.601 217 HD22 LEU 23 HD22 LEU 23 35.371 13.783 2.039 218 HD23 LEU 23 HD23 LEU 23 36.570 14.570 3.095 219 H ASP 24 HN ASP 24 35.017 9.331 3.065 220 HA ASP 24 HA ASP 24 35.176 7.243 4.084 221 HB2 ASP 24 HB2 ASP 24 37.552 6.508 4.428 222 HB3 ASP 24 HB1 ASP 24 37.209 7.241 2.836 223 H HIS 25 HN HIS 25 34.314 9.263 5.728 224 HA HIS 25 HA HIS 25 35.557 9.526 8.238 225 HB2 HIS 25 HB2 HIS 25 33.501 10.723 7.270 226 HB3 HIS 25 HB1 HIS 25 32.560 9.301 7.773 227 HD1 HIS 25 HD1 HIS 25 34.853 9.172 10.328 228 HD2 HIS 25 HD2 HIS 25 31.852 11.981 9.440 229 HE1 HIS 25 HE1 HIS 25 34.333 10.439 12.486 230 H LEU 26 HN LEU 26 32.664 7.472 7.691 231 HA LEU 26 HA LEU 26 32.020 5.503 8.734 232 HB2 LEU 26 HB2 LEU 26 34.961 4.778 8.918 233 HB3 LEU 26 HB1 LEU 26 33.564 3.709 8.650 234 HG LEU 26 HG LEU 26 34.670 5.787 6.708 235 HD11 LEU 26 HD11 LEU 26 34.455 2.752 6.491 236 HD12 LEU 26 HD12 LEU 26 35.936 3.621 6.958 237 HD13 LEU 26 HD13 LEU 26 35.240 3.854 5.337 238 HD21 LEU 26 HD21 LEU 26 32.921 4.691 5.157 239 HD22 LEU 26 HD22 LEU 26 32.289 5.786 6.407 240 HD23 LEU 26 HD23 LEU 26 32.184 4.024 6.633 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 57.282 -3.661 1.597 2 H2 GLY 1 HT2 GLY 1 55.869 -4.597 1.728 3 H3 GLY 1 HT3 GLY 1 56.330 -3.563 2.996 4 HA2 GLY 1 HA1 GLY 1 55.431 -2.802 0.299 5 HA3 GLY 1 HA2 GLY 1 54.552 -2.581 1.825 6 H ARG 2 HN ARG 2 54.395 -0.338 1.481 7 HA ARG 2 HA ARG 2 55.125 1.863 1.617 8 HB2 ARG 2 HB2 ARG 2 57.396 0.709 3.279 9 HB3 ARG 2 HB1 ARG 2 56.715 2.353 3.363 10 HG2 ARG 2 HG2 ARG 2 54.512 1.367 4.035 11 HG3 ARG 2 HG1 ARG 2 55.270 -0.244 4.052 12 HD2 ARG 2 HD2 ARG 2 56.963 0.676 5.709 13 HD3 ARG 2 HD1 ARG 2 55.968 2.148 5.805 14 HE ARG 2 HE ARG 2 55.427 -0.212 7.255 15 HH11 ARG 2 HH11 ARG 2 53.918 2.437 7.415 16 HH12 ARG 2 HH12 ARG 2 52.313 1.930 7.010 17 HH21 ARG 2 HH21 ARG 2 53.321 -1.118 5.699 18 HH22 ARG 2 HH22 ARG 2 51.974 -0.083 6.038 19 H ARG 3 HN ARG 3 55.638 1.531 -0.738 20 HA ARG 3 HA ARG 3 58.260 1.006 -1.672 21 HB2 ARG 3 HB2 ARG 3 56.095 1.266 -3.021 22 HB3 ARG 3 HB1 ARG 3 56.352 3.019 -2.910 23 HG2 ARG 3 HG2 ARG 3 57.432 2.558 -4.940 24 HG3 ARG 3 HG1 ARG 3 58.796 2.419 -3.809 25 HD2 ARG 3 HD2 ARG 3 58.726 0.520 -5.416 26 HD3 ARG 3 HD1 ARG 3 58.504 -0.042 -3.745 27 HE ARG 3 HE ARG 3 55.914 0.375 -4.698 28 HH11 ARG 3 HH11 ARG 3 55.199 -0.665 -6.767 29 HH12 ARG 3 HH12 ARG 3 55.826 -2.256 -7.035 30 HH21 ARG 3 HH21 ARG 3 58.241 -2.010 -4.560 31 HH22 ARG 3 HH22 ARG 3 57.550 -3.018 -5.788 32 H LYS 4 HN LYS 4 56.741 4.082 -0.652 33 HA LYS 4 HA LYS 4 59.490 5.209 -0.257 34 HB2 LYS 4 HB2 LYS 4 57.323 6.853 -1.613 35 HB3 LYS 4 HB1 LYS 4 59.070 7.182 -1.498 36 HG2 LYS 4 HG2 LYS 4 59.417 5.029 -2.863 37 HG3 LYS 4 HG1 LYS 4 57.662 5.062 -3.167 38 HD2 LYS 4 HD2 LYS 4 57.920 7.398 -4.071 39 HD3 LYS 4 HD1 LYS 4 59.683 7.230 -3.891 40 HE2 LYS 4 HE2 LYS 4 57.953 5.316 -5.515 41 HE3 LYS 4 HE1 LYS 4 58.827 6.701 -6.214 42 HZ1 LYS 4 HZ1 LYS 4 60.023 4.513 -6.287 43 HZ2 LYS 4 HZ2 LYS 4 60.154 4.590 -4.594 44 HZ3 LYS 4 HZ3 LYS 4 60.889 5.779 -5.561 45 H ARG 5 HN ARG 5 57.799 4.200 1.712 46 HA ARG 5 HA ARG 5 56.828 4.803 3.725 47 HB2 ARG 5 HB2 ARG 5 58.033 7.542 3.160 48 HB3 ARG 5 HB1 ARG 5 57.525 6.906 4.742 49 HG2 ARG 5 HG2 ARG 5 59.188 5.038 4.463 50 HG3 ARG 5 HG1 ARG 5 59.757 5.822 2.970 51 HD2 ARG 5 HD2 ARG 5 61.171 6.437 4.922 52 HD3 ARG 5 HD1 ARG 5 60.340 7.856 4.240 53 HE ARG 5 HE ARG 5 58.816 6.621 6.393 54 HH11 ARG 5 HH11 ARG 5 60.380 9.376 5.318 55 HH12 ARG 5 HH12 ARG 5 60.749 10.001 6.891 56 HH21 ARG 5 HH21 ARG 5 59.737 7.134 8.558 57 HH22 ARG 5 HH22 ARG 5 60.386 8.732 8.726 58 H LYS 6 HN LYS 6 56.581 8.015 2.171 59 HA LYS 6 HA LYS 6 53.604 7.651 1.978 60 HB2 LYS 6 HB2 LYS 6 54.969 10.122 3.119 61 HB3 LYS 6 HB1 LYS 6 53.219 9.813 2.994 62 HG2 LYS 6 HG2 LYS 6 53.506 7.826 4.499 63 HG3 LYS 6 HG1 LYS 6 55.221 8.264 4.696 64 HD2 LYS 6 HD2 LYS 6 54.443 10.551 5.494 65 HD3 LYS 6 HD1 LYS 6 52.787 9.901 5.515 66 HE2 LYS 6 HE2 LYS 6 53.654 8.028 7.011 67 HE3 LYS 6 HE1 LYS 6 55.178 8.940 7.138 68 HZ1 LYS 6 HZ1 LYS 6 52.596 10.261 7.698 69 HZ2 LYS 6 HZ2 LYS 6 54.150 10.662 8.254 70 HZ3 LYS 6 HZ3 LYS 6 53.341 9.311 8.890 71 H TRP 7 HN TRP 7 53.009 10.228 1.167 72 HA TRP 7 HA TRP 7 53.063 11.651 -0.646 73 HB2 TRP 7 HB2 TRP 7 55.627 11.625 -0.131 74 HB3 TRP 7 HB1 TRP 7 55.749 10.547 -1.539 75 HD1 TRP 7 HD1 TRP 7 54.902 14.134 -0.554 76 HE1 TRP 7 HE1 TRP 7 54.842 15.637 -2.674 77 HE3 TRP 7 HE3 TRP 7 55.319 10.497 -4.134 78 HZ2 TRP 7 HZ2 TRP 7 54.962 15.277 -5.529 79 HZ3 TRP 7 HZ3 TRP 7 55.344 11.100 -6.549 80 HH2 TRP 7 HH2 TRP 7 55.166 13.484 -7.249 81 H LEU 8 HN LEU 8 54.082 8.282 -1.192 82 HA LEU 8 HA LEU 8 53.387 8.278 -3.992 83 HB2 LEU 8 HB2 LEU 8 53.718 5.929 -3.929 84 HB3 LEU 8 HB1 LEU 8 54.867 6.595 -2.752 85 HG LEU 8 HG LEU 8 52.170 5.295 -2.123 86 HD11 LEU 8 HD11 LEU 8 53.956 3.714 -2.732 87 HD12 LEU 8 HD12 LEU 8 53.607 3.616 -0.989 88 HD13 LEU 8 HD13 LEU 8 55.054 4.482 -1.561 89 HD21 LEU 8 HD21 LEU 8 52.504 7.052 -0.500 90 HD22 LEU 8 HD22 LEU 8 54.241 6.681 -0.370 91 HD23 LEU 8 HD23 LEU 8 53.037 5.546 0.280 92 H ARG 9 HN ARG 9 51.408 8.921 -1.483 93 HA ARG 9 HA ARG 9 49.115 8.800 -1.179 94 HB2 ARG 9 HB2 ARG 9 48.926 8.122 -4.134 95 HB3 ARG 9 HB1 ARG 9 47.739 8.974 -3.119 96 HG2 ARG 9 HG2 ARG 9 50.508 9.992 -3.888 97 HG3 ARG 9 HG1 ARG 9 48.958 10.582 -4.525 98 HD2 ARG 9 HD2 ARG 9 49.463 12.154 -2.836 99 HD3 ARG 9 HD1 ARG 9 48.364 11.031 -2.003 100 HE ARG 9 HE ARG 9 51.085 10.156 -1.670 101 HH11 ARG 9 HH11 ARG 9 50.814 13.259 -1.200 102 HH12 ARG 9 HH12 ARG 9 50.693 13.271 0.527 103 HH21 ARG 9 HH21 ARG 9 50.078 9.868 0.774 104 HH22 ARG 9 HH22 ARG 9 50.276 11.352 1.644 105 H ARG 10 HN ARG 10 50.323 6.559 -0.333 106 HA ARG 10 HA ARG 10 49.653 4.086 -1.456 107 HB2 ARG 10 HB2 ARG 10 49.681 3.211 0.870 108 HB3 ARG 10 HB1 ARG 10 51.031 4.325 0.557 109 HG2 ARG 10 HG2 ARG 10 49.354 6.174 1.503 110 HG3 ARG 10 HG1 ARG 10 48.536 4.766 2.226 111 HD2 ARG 10 HD2 ARG 10 50.712 4.075 3.262 112 HD3 ARG 10 HD1 ARG 10 51.452 5.562 2.621 113 HE ARG 10 HE ARG 10 49.923 5.430 5.013 114 HH11 ARG 10 HH11 ARG 10 47.997 6.945 5.095 115 HH12 ARG 10 HH12 ARG 10 48.313 8.525 4.461 116 HH21 ARG 10 HH21 ARG 10 51.259 7.593 2.887 117 HH22 ARG 10 HH22 ARG 10 50.161 8.892 3.212 118 H ILE 11 HN ILE 11 47.720 5.983 0.872 119 HA ILE 11 HA ILE 11 45.249 4.583 -0.137 120 HB ILE 11 HB ILE 11 45.884 3.973 2.253 121 HG12 ILE 11 HG12 ILE 11 43.343 5.630 1.890 122 HG13 ILE 11 HG11 ILE 11 43.535 3.917 1.451 123 HG21 ILE 11 HG21 ILE 11 45.143 6.847 2.929 124 HG22 ILE 11 HG22 ILE 11 46.832 6.344 2.691 125 HG23 ILE 11 HG23 ILE 11 45.861 5.609 3.988 126 HD11 ILE 11 HD1 ILE 11 42.498 3.880 3.591 127 HD12 ILE 11 HD2 ILE 11 43.546 5.176 4.214 128 HD13 ILE 11 HD3 ILE 11 44.214 3.549 3.927 129 H GLY 12 HN GLY 12 47.059 7.447 0.499 130 HA2 GLY 12 HA1 GLY 12 44.986 9.365 0.777 131 HA3 GLY 12 HA2 GLY 12 46.571 9.670 0.034 132 H LYS 13 HN LYS 13 46.277 7.722 -2.081 133 HA LYS 13 HA LYS 13 45.124 9.323 -4.104 134 HB2 LYS 13 HB2 LYS 13 46.640 7.479 -4.591 135 HB3 LYS 13 HB1 LYS 13 45.481 6.303 -3.940 136 HG2 LYS 13 HG2 LYS 13 44.409 8.081 -6.118 137 HG3 LYS 13 HG1 LYS 13 45.684 6.960 -6.628 138 HD2 LYS 13 HD2 LYS 13 43.336 5.953 -4.974 139 HD3 LYS 13 HD1 LYS 13 43.181 6.158 -6.731 140 HE2 LYS 13 HE2 LYS 13 45.216 4.694 -7.023 141 HE3 LYS 13 HE1 LYS 13 45.209 4.403 -5.267 142 HZ1 LYS 13 HZ1 LYS 13 42.656 4.001 -6.568 143 HZ2 LYS 13 HZ2 LYS 13 43.465 3.034 -5.429 144 HZ3 LYS 13 HZ3 LYS 13 43.868 2.929 -7.077 145 H GLY 14 HN GLY 14 43.621 7.610 -1.596 146 HA2 GLY 14 HA1 GLY 14 41.023 7.373 -3.068 147 HA3 GLY 14 HA2 GLY 14 41.451 6.564 -1.550 148 H VAL 15 HN VAL 15 42.464 8.685 -0.029 149 HA VAL 15 HA VAL 15 39.917 10.234 0.384 150 HB VAL 15 HB VAL 15 40.936 10.746 2.655 151 HG11 VAL 15 HG11 VAL 15 40.569 7.805 1.926 152 HG12 VAL 15 HG12 VAL 15 39.255 8.953 2.283 153 HG13 VAL 15 HG13 VAL 15 40.418 8.506 3.555 154 HG21 VAL 15 HG21 VAL 15 43.294 10.337 2.116 155 HG22 VAL 15 HG22 VAL 15 42.935 8.642 1.710 156 HG23 VAL 15 HG23 VAL 15 42.770 9.210 3.386 157 H LYS 16 HN LYS 16 43.480 10.670 0.101 158 HA LYS 16 HA LYS 16 43.320 13.544 0.431 159 HB2 LYS 16 HB2 LYS 16 45.430 11.716 -0.776 160 HB3 LYS 16 HB1 LYS 16 45.627 13.480 -0.693 161 HG2 LYS 16 HG2 LYS 16 45.202 13.327 1.806 162 HG3 LYS 16 HG1 LYS 16 45.260 11.557 1.642 163 HD2 LYS 16 HD2 LYS 16 47.546 11.737 0.669 164 HD3 LYS 16 HD1 LYS 16 47.486 13.501 0.895 165 HE2 LYS 16 HE2 LYS 16 48.690 12.396 2.764 166 HE3 LYS 16 HE1 LYS 16 47.203 13.190 3.332 167 HZ1 LYS 16 HZ1 LYS 16 47.623 10.840 4.133 168 HZ2 LYS 16 HZ2 LYS 16 47.270 10.327 2.552 169 HZ3 LYS 16 HZ3 LYS 16 46.094 11.143 3.465 170 H ILE 17 HN ILE 17 43.081 11.340 -2.334 171 HA ILE 17 HA ILE 17 43.417 13.134 -4.458 172 HB ILE 17 HB ILE 17 42.993 10.685 -4.718 173 HG12 ILE 17 HG12 ILE 17 41.491 10.824 -6.704 174 HG13 ILE 17 HG11 ILE 17 41.003 12.462 -6.222 175 HG21 ILE 17 HG21 ILE 17 40.786 9.761 -4.474 176 HG22 ILE 17 HG22 ILE 17 40.064 11.372 -4.254 177 HG23 ILE 17 HG23 ILE 17 41.115 10.687 -2.991 178 HD11 ILE 17 HD1 ILE 17 42.947 12.125 -8.003 179 HD12 ILE 17 HD2 ILE 17 43.954 11.840 -6.564 180 HD13 ILE 17 HD3 ILE 17 43.097 13.389 -6.763 181 H ILE 18 HN ILE 18 40.581 12.636 -2.365 182 HA ILE 18 HA ILE 18 39.159 14.872 -3.782 183 HB ILE 18 HB ILE 18 37.858 12.799 -3.550 184 HG12 ILE 18 HG12 ILE 18 35.892 13.647 -2.370 185 HG13 ILE 18 HG11 ILE 18 36.875 14.826 -1.481 186 HG21 ILE 18 HG21 ILE 18 38.356 13.106 -0.557 187 HG22 ILE 18 HG22 ILE 18 39.102 11.879 -1.611 188 HG23 ILE 18 HG23 ILE 18 37.345 11.862 -1.330 189 HD11 ILE 18 HD1 ILE 18 37.230 16.164 -3.404 190 HD12 ILE 18 HD2 ILE 18 35.546 15.628 -3.600 191 HD13 ILE 18 HD3 ILE 18 36.845 14.832 -4.521 192 H GLY 19 HN GLY 19 40.894 14.025 -0.913 193 HA2 GLY 19 HA1 GLY 19 39.829 15.503 1.135 194 HA3 GLY 19 HA2 GLY 19 41.572 15.420 0.824 195 H GLY 20 HN GLY 20 41.190 16.793 -1.827 196 HA2 GLY 20 HA1 GLY 20 40.996 18.960 -2.658 197 HA3 GLY 20 HA2 GLY 20 40.134 19.436 -1.181 198 H ALA 21 HN ALA 21 41.768 19.149 0.855 199 HA ALA 21 HA ALA 21 43.533 21.321 0.744 200 HB1 ALA 21 HB1 ALA 21 44.659 20.233 2.728 201 HB2 ALA 21 HB2 ALA 21 43.624 18.811 2.449 202 HB3 ALA 21 HB3 ALA 21 42.891 20.380 2.859 203 H ALA 22 HN ALA 22 44.077 17.931 -0.116 204 HA ALA 22 HA ALA 22 46.962 18.377 -0.600 205 HB1 ALA 22 HB1 ALA 22 46.301 16.218 0.245 206 HB2 ALA 22 HB2 ALA 22 46.839 16.005 -1.438 207 HB3 ALA 22 HB3 ALA 22 45.101 16.019 -1.053 208 H LEU 23 HN LEU 23 44.031 17.573 -2.517 209 HA LEU 23 HA LEU 23 45.464 17.998 -5.045 210 HB2 LEU 23 HB2 LEU 23 43.554 16.349 -4.671 211 HB3 LEU 23 HB1 LEU 23 42.471 17.754 -4.584 212 HG LEU 23 HG LEU 23 43.543 18.431 -6.900 213 HD11 LEU 23 HD11 LEU 23 44.250 15.466 -6.711 214 HD12 LEU 23 HD12 LEU 23 45.352 16.823 -7.036 215 HD13 LEU 23 HD13 LEU 23 44.141 16.354 -8.246 216 HD21 LEU 23 HD21 LEU 23 41.691 16.018 -6.652 217 HD22 LEU 23 HD22 LEU 23 41.866 17.045 -8.096 218 HD23 LEU 23 HD23 LEU 23 41.192 17.724 -6.594 219 H ASP 24 HN ASP 24 46.142 20.230 -4.229 220 HA ASP 24 HA ASP 24 44.551 22.185 -5.658 221 HB2 ASP 24 HB2 ASP 24 43.220 21.971 -3.534 222 HB3 ASP 24 HB1 ASP 24 44.659 22.513 -2.635 223 H HIS 25 HN HIS 25 47.055 21.465 -3.246 224 HA HIS 25 HA HIS 25 48.487 23.960 -3.639 225 HB2 HIS 25 HB2 HIS 25 48.699 22.547 -1.598 226 HB3 HIS 25 HB1 HIS 25 49.497 21.292 -2.576 227 HD1 HIS 25 HD1 HIS 25 51.729 22.190 -3.943 228 HD2 HIS 25 HD2 HIS 25 50.459 24.450 -0.631 229 HE1 HIS 25 HE1 HIS 25 53.693 23.658 -3.225 230 H LEU 26 HN LEU 26 48.508 24.058 -5.984 231 HA LEU 26 HA LEU 26 51.014 23.075 -7.042 232 HB2 LEU 26 HB2 LEU 26 50.058 21.661 -8.864 233 HB3 LEU 26 HB1 LEU 26 49.854 20.965 -7.244 234 HG LEU 26 HG LEU 26 47.489 22.367 -7.424 235 HD11 LEU 26 HD11 LEU 26 48.183 21.511 -10.274 236 HD12 LEU 26 HD12 LEU 26 47.844 23.164 -9.714 237 HD13 LEU 26 HD13 LEU 26 46.553 21.946 -9.715 238 HD21 LEU 26 HD21 LEU 26 47.727 19.963 -6.871 239 HD22 LEU 26 HD22 LEU 26 47.990 19.591 -8.592 240 HD23 LEU 26 HD23 LEU 26 46.418 20.226 -8.049 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 57.034 5.970 -6.985 2 H2 GLY 1 HT2 GLY 1 57.146 5.089 -5.537 3 H3 GLY 1 HT3 GLY 1 58.538 5.774 -6.230 4 HA2 GLY 1 HA1 GLY 1 57.944 7.903 -5.703 5 HA3 GLY 1 HA2 GLY 1 56.257 7.425 -5.428 6 H ARG 2 HN ARG 2 58.033 4.969 -4.164 7 HA ARG 2 HA ARG 2 57.373 5.511 -1.471 8 HB2 ARG 2 HB2 ARG 2 58.099 3.296 -2.480 9 HB3 ARG 2 HB1 ARG 2 59.773 3.891 -2.403 10 HG2 ARG 2 HG2 ARG 2 59.627 4.148 0.019 11 HG3 ARG 2 HG1 ARG 2 57.898 3.727 -0.004 12 HD2 ARG 2 HD2 ARG 2 58.441 1.478 -0.865 13 HD3 ARG 2 HD1 ARG 2 60.172 1.894 -0.882 14 HE ARG 2 HE ARG 2 59.181 2.345 1.753 15 HH11 ARG 2 HH11 ARG 2 60.297 0.915 3.192 16 HH12 ARG 2 HH12 ARG 2 60.350 -0.766 2.783 17 HH21 ARG 2 HH21 ARG 2 59.006 -0.311 -0.380 18 HH22 ARG 2 HH22 ARG 2 59.619 -1.461 0.760 19 H ARG 3 HN ARG 3 59.821 6.880 -3.454 20 HA ARG 3 HA ARG 3 61.836 7.454 -1.528 21 HB2 ARG 3 HB2 ARG 3 60.939 9.093 -3.931 22 HB3 ARG 3 HB1 ARG 3 62.477 9.292 -3.057 23 HG2 ARG 3 HG2 ARG 3 63.052 6.917 -3.577 24 HG3 ARG 3 HG1 ARG 3 61.549 6.783 -4.520 25 HD2 ARG 3 HD2 ARG 3 62.309 8.604 -6.011 26 HD3 ARG 3 HD1 ARG 3 63.807 8.760 -5.063 27 HE ARG 3 HE ARG 3 63.470 6.042 -5.986 28 HH11 ARG 3 HH11 ARG 3 65.443 5.540 -7.120 29 HH12 ARG 3 HH12 ARG 3 65.961 6.645 -8.348 30 HH21 ARG 3 HH21 ARG 3 63.636 9.078 -7.510 31 HH22 ARG 3 HH22 ARG 3 64.938 8.648 -8.569 32 H LYS 4 HN LYS 4 58.600 8.598 -1.780 33 HA LYS 4 HA LYS 4 59.147 11.153 -0.381 34 HB2 LYS 4 HB2 LYS 4 56.511 9.781 -1.041 35 HB3 LYS 4 HB1 LYS 4 56.728 11.463 -0.500 36 HG2 LYS 4 HG2 LYS 4 58.138 11.891 -2.528 37 HG3 LYS 4 HG1 LYS 4 57.782 10.239 -3.086 38 HD2 LYS 4 HD2 LYS 4 55.341 10.774 -3.026 39 HD3 LYS 4 HD1 LYS 4 55.743 12.447 -2.568 40 HE2 LYS 4 HE2 LYS 4 57.157 12.582 -4.676 41 HE3 LYS 4 HE1 LYS 4 56.473 11.009 -5.153 42 HZ1 LYS 4 HZ1 LYS 4 55.290 13.026 -6.030 43 HZ2 LYS 4 HZ2 LYS 4 54.797 13.358 -4.439 44 HZ3 LYS 4 HZ3 LYS 4 54.309 11.920 -5.200 45 H ARG 5 HN ARG 5 59.463 8.154 0.637 46 HA ARG 5 HA ARG 5 59.256 7.092 2.681 47 HB2 ARG 5 HB2 ARG 5 58.657 9.806 3.901 48 HB3 ARG 5 HB1 ARG 5 59.496 8.418 4.635 49 HG2 ARG 5 HG2 ARG 5 60.508 10.175 2.356 50 HG3 ARG 5 HG1 ARG 5 61.156 10.091 4.011 51 HD2 ARG 5 HD2 ARG 5 61.311 8.014 1.805 52 HD3 ARG 5 HD1 ARG 5 62.630 8.708 2.778 53 HE ARG 5 HE ARG 5 61.056 7.411 4.655 54 HH11 ARG 5 HH11 ARG 5 63.277 6.000 4.900 55 HH12 ARG 5 HH12 ARG 5 63.176 4.587 3.902 56 HH21 ARG 5 HH21 ARG 5 60.586 5.823 1.957 57 HH22 ARG 5 HH22 ARG 5 61.652 4.487 2.237 58 H LYS 6 HN LYS 6 57.177 6.389 1.497 59 HA LYS 6 HA LYS 6 54.942 5.809 1.676 60 HB2 LYS 6 HB2 LYS 6 55.048 6.759 4.557 61 HB3 LYS 6 HB1 LYS 6 54.060 5.458 3.854 62 HG2 LYS 6 HG2 LYS 6 57.094 5.462 4.177 63 HG3 LYS 6 HG1 LYS 6 55.930 4.481 5.097 64 HD2 LYS 6 HD2 LYS 6 55.174 3.538 2.803 65 HD3 LYS 6 HD1 LYS 6 56.660 4.271 2.150 66 HE2 LYS 6 HE2 LYS 6 57.995 3.006 3.842 67 HE3 LYS 6 HE1 LYS 6 56.500 2.217 4.398 68 HZ1 LYS 6 HZ1 LYS 6 57.426 2.134 1.575 69 HZ2 LYS 6 HZ2 LYS 6 56.211 1.196 2.303 70 HZ3 LYS 6 HZ3 LYS 6 57.840 0.950 2.716 71 H TRP 7 HN TRP 7 54.219 7.430 0.246 72 HA TRP 7 HA TRP 7 52.264 9.203 1.428 73 HB2 TRP 7 HB2 TRP 7 54.433 10.471 1.852 74 HB3 TRP 7 HB1 TRP 7 54.602 10.608 0.086 75 HD1 TRP 7 HD1 TRP 7 53.371 12.541 -1.036 76 HE1 TRP 7 HE1 TRP 7 51.571 14.284 -0.338 77 HE3 TRP 7 HE3 TRP 7 52.206 10.690 3.593 78 HZ2 TRP 7 HZ2 TRP 7 49.873 14.779 1.934 79 HZ3 TRP 7 HZ3 TRP 7 50.493 11.813 5.008 80 HH2 TRP 7 HH2 TRP 7 49.327 13.854 4.183 81 H LEU 8 HN LEU 8 53.760 7.543 -1.094 82 HA LEU 8 HA LEU 8 53.108 8.727 -3.484 83 HB2 LEU 8 HB2 LEU 8 52.132 5.887 -3.226 84 HB3 LEU 8 HB1 LEU 8 53.211 6.617 -4.433 85 HG LEU 8 HG LEU 8 54.877 6.830 -2.342 86 HD11 LEU 8 HD11 LEU 8 52.932 5.871 -0.834 87 HD12 LEU 8 HD12 LEU 8 54.581 5.246 -0.603 88 HD13 LEU 8 HD13 LEU 8 53.391 4.299 -1.527 89 HD21 LEU 8 HD21 LEU 8 54.261 4.235 -3.827 90 HD22 LEU 8 HD22 LEU 8 55.745 4.526 -2.889 91 HD23 LEU 8 HD23 LEU 8 55.393 5.511 -4.328 92 H ARG 9 HN ARG 9 50.748 6.474 -1.980 93 HA ARG 9 HA ARG 9 48.581 8.380 -2.133 94 HB2 ARG 9 HB2 ARG 9 47.322 7.610 -3.969 95 HB3 ARG 9 HB1 ARG 9 48.980 7.649 -4.601 96 HG2 ARG 9 HG2 ARG 9 47.457 5.181 -3.625 97 HG3 ARG 9 HG1 ARG 9 47.901 5.573 -5.297 98 HD2 ARG 9 HD2 ARG 9 50.312 5.511 -4.642 99 HD3 ARG 9 HD1 ARG 9 49.829 4.981 -3.013 100 HE ARG 9 HE ARG 9 49.972 3.294 -5.346 101 HH11 ARG 9 HH11 ARG 9 48.275 1.657 -5.564 102 HH12 ARG 9 HH12 ARG 9 47.569 1.081 -4.091 103 HH21 ARG 9 HH21 ARG 9 48.989 3.561 -2.127 104 HH22 ARG 9 HH22 ARG 9 47.973 2.157 -2.145 105 H ARG 10 HN ARG 10 50.123 5.966 -0.777 106 HA ARG 10 HA ARG 10 48.673 3.772 -0.152 107 HB2 ARG 10 HB2 ARG 10 49.477 3.965 2.177 108 HB3 ARG 10 HB1 ARG 10 50.734 4.452 1.013 109 HG2 ARG 10 HG2 ARG 10 49.747 6.893 1.366 110 HG3 ARG 10 HG1 ARG 10 49.057 6.195 2.852 111 HD2 ARG 10 HD2 ARG 10 51.996 6.349 2.075 112 HD3 ARG 10 HD1 ARG 10 51.191 7.142 3.450 113 HE ARG 10 HE ARG 10 52.238 4.479 3.476 114 HH11 ARG 10 HH11 ARG 10 51.011 2.793 4.556 115 HH12 ARG 10 HH12 ARG 10 49.895 3.298 5.780 116 HH21 ARG 10 HH21 ARG 10 50.125 6.663 4.971 117 HH22 ARG 10 HH22 ARG 10 49.394 5.491 6.015 118 H ILE 11 HN ILE 11 47.982 6.989 1.192 119 HA ILE 11 HA ILE 11 45.170 6.093 1.783 120 HB ILE 11 HB ILE 11 46.561 6.387 3.896 121 HG12 ILE 11 HG12 ILE 11 44.315 8.398 3.403 122 HG13 ILE 11 HG11 ILE 11 44.117 6.711 3.925 123 HG21 ILE 11 HG21 ILE 11 47.425 8.520 4.513 124 HG22 ILE 11 HG22 ILE 11 46.560 9.348 3.196 125 HG23 ILE 11 HG23 ILE 11 47.943 8.289 2.827 126 HD11 ILE 11 HD1 ILE 11 45.319 9.042 5.455 127 HD12 ILE 11 HD2 ILE 11 45.640 7.355 5.929 128 HD13 ILE 11 HD3 ILE 11 43.974 7.979 5.929 129 H GLY 12 HN GLY 12 47.478 8.203 0.374 130 HA2 GLY 12 HA1 GLY 12 45.978 10.615 0.167 131 HA3 GLY 12 HA2 GLY 12 47.201 10.055 -0.999 132 H LYS 13 HN LYS 13 45.888 7.615 -1.727 133 HA LYS 13 HA LYS 13 44.303 8.469 -3.895 134 HB2 LYS 13 HB2 LYS 13 45.234 6.207 -3.735 135 HB3 LYS 13 HB1 LYS 13 44.188 5.852 -2.339 136 HG2 LYS 13 HG2 LYS 13 42.200 5.950 -3.669 137 HG3 LYS 13 HG1 LYS 13 43.060 6.699 -5.036 138 HD2 LYS 13 HD2 LYS 13 42.598 4.255 -5.388 139 HD3 LYS 13 HD1 LYS 13 44.333 4.645 -5.419 140 HE2 LYS 13 HE2 LYS 13 44.695 3.736 -3.251 141 HE3 LYS 13 HE1 LYS 13 42.959 3.751 -2.857 142 HZ1 LYS 13 HZ1 LYS 13 42.672 2.115 -4.707 143 HZ2 LYS 13 HZ2 LYS 13 43.555 1.532 -3.378 144 HZ3 LYS 13 HZ3 LYS 13 44.361 1.992 -4.801 145 H GLY 14 HN GLY 14 43.604 8.476 -0.568 146 HA2 GLY 14 HA1 GLY 14 40.645 8.446 -0.986 147 HA3 GLY 14 HA2 GLY 14 41.499 8.326 0.563 148 H VAL 15 HN VAL 15 43.263 10.472 0.460 149 HA VAL 15 HA VAL 15 41.295 12.758 0.530 150 HB VAL 15 HB VAL 15 43.023 13.867 1.986 151 HG11 VAL 15 HG11 VAL 15 41.904 11.159 2.828 152 HG12 VAL 15 HG12 VAL 15 41.130 12.750 3.019 153 HG13 VAL 15 HG13 VAL 15 42.584 12.349 3.963 154 HG21 VAL 15 HG21 VAL 15 45.025 12.657 1.272 155 HG22 VAL 15 HG22 VAL 15 44.318 11.108 1.788 156 HG23 VAL 15 HG23 VAL 15 44.753 12.335 3.000 157 H LYS 16 HN LYS 16 44.551 11.812 -0.617 158 HA LYS 16 HA LYS 16 45.265 14.354 -1.694 159 HB2 LYS 16 HB2 LYS 16 46.773 12.341 -1.400 160 HB3 LYS 16 HB1 LYS 16 46.022 11.650 -2.858 161 HG2 LYS 16 HG2 LYS 16 46.682 13.700 -4.130 162 HG3 LYS 16 HG1 LYS 16 47.511 14.304 -2.675 163 HD2 LYS 16 HD2 LYS 16 49.026 12.397 -2.674 164 HD3 LYS 16 HD1 LYS 16 48.129 11.633 -4.009 165 HE2 LYS 16 HE2 LYS 16 49.590 14.306 -4.163 166 HE3 LYS 16 HE1 LYS 16 50.182 12.765 -4.829 167 HZ1 LYS 16 HZ1 LYS 16 47.762 12.853 -5.911 168 HZ2 LYS 16 HZ2 LYS 16 49.129 13.530 -6.656 169 HZ3 LYS 16 HZ3 LYS 16 48.055 14.519 -5.787 170 H ILE 17 HN ILE 17 43.292 11.697 -2.989 171 HA ILE 17 HA ILE 17 43.135 12.812 -5.659 172 HB ILE 17 HB ILE 17 42.619 10.373 -4.846 173 HG12 ILE 17 HG12 ILE 17 40.646 10.272 -6.654 174 HG13 ILE 17 HG11 ILE 17 41.086 11.969 -6.932 175 HG21 ILE 17 HG21 ILE 17 40.394 9.869 -4.151 176 HG22 ILE 17 HG22 ILE 17 39.815 11.507 -4.535 177 HG23 ILE 17 HG23 ILE 17 40.903 11.249 -3.150 178 HD11 ILE 17 HD1 ILE 17 43.405 11.319 -7.434 179 HD12 ILE 17 HD2 ILE 17 42.286 10.389 -8.456 180 HD13 ILE 17 HD3 ILE 17 43.039 9.623 -7.038 181 H ILE 18 HN ILE 18 42.208 14.156 -2.863 182 HA ILE 18 HA ILE 18 40.676 15.797 -2.291 183 HB ILE 18 HB ILE 18 40.143 16.091 -5.280 184 HG12 ILE 18 HG12 ILE 18 42.648 16.146 -4.573 185 HG13 ILE 18 HG11 ILE 18 42.025 17.516 -5.507 186 HG21 ILE 18 HG21 ILE 18 39.831 17.925 -2.873 187 HG22 ILE 18 HG22 ILE 18 38.567 17.338 -3.979 188 HG23 ILE 18 HG23 ILE 18 39.778 18.506 -4.554 189 HD11 ILE 18 HD1 ILE 18 43.485 18.130 -3.509 190 HD12 ILE 18 HD2 ILE 18 42.185 17.530 -2.459 191 HD13 ILE 18 HD3 ILE 18 41.889 18.909 -3.542 192 H GLY 19 HN GLY 19 39.268 14.325 -1.284 193 HA2 GLY 19 HA1 GLY 19 36.605 14.315 -2.469 194 HA3 GLY 19 HA2 GLY 19 37.344 12.701 -2.437 195 H GLY 20 HN GLY 20 38.263 14.972 0.019 196 HA2 GLY 20 HA1 GLY 20 36.178 14.356 1.910 197 HA3 GLY 20 HA2 GLY 20 37.580 13.298 2.168 198 H ALA 21 HN ALA 21 39.587 15.184 1.346 199 HA ALA 21 HA ALA 21 40.188 16.413 3.803 200 HB1 ALA 21 HB1 ALA 21 41.731 17.866 2.443 201 HB2 ALA 21 HB2 ALA 21 41.000 17.169 0.978 202 HB3 ALA 21 HB3 ALA 21 41.883 16.124 2.117 203 H ALA 22 HN ALA 22 39.544 18.420 0.922 204 HA ALA 22 HA ALA 22 38.482 20.556 2.620 205 HB1 ALA 22 HB1 ALA 22 38.089 21.678 0.398 206 HB2 ALA 22 HB2 ALA 22 38.718 20.209 -0.386 207 HB3 ALA 22 HB3 ALA 22 39.770 21.168 0.683 208 H LEU 23 HN LEU 23 37.204 17.935 0.666 209 HA LEU 23 HA LEU 23 34.490 19.038 0.554 210 HB2 LEU 23 HB2 LEU 23 35.573 17.399 -1.110 211 HB3 LEU 23 HB1 LEU 23 35.321 16.148 0.127 212 HG LEU 23 HG LEU 23 32.819 17.050 0.148 213 HD11 LEU 23 HD11 LEU 23 33.848 17.990 -2.573 214 HD12 LEU 23 HD12 LEU 23 33.101 18.990 -1.306 215 HD13 LEU 23 HD13 LEU 23 32.129 17.784 -2.173 216 HD21 LEU 23 HD21 LEU 23 32.248 15.461 -1.687 217 HD22 LEU 23 HD22 LEU 23 33.468 14.789 -0.578 218 HD23 LEU 23 HD23 LEU 23 33.961 15.421 -2.167 219 H ASP 24 HN ASP 24 35.095 19.300 3.122 220 HA ASP 24 HA ASP 24 33.110 17.650 4.425 221 HB2 ASP 24 HB2 ASP 24 35.036 16.029 4.300 222 HB3 ASP 24 HB1 ASP 24 35.986 17.162 5.291 223 H HIS 25 HN HIS 25 35.102 20.296 4.100 224 HA HIS 25 HA HIS 25 35.363 21.167 6.834 225 HB2 HIS 25 HB2 HIS 25 36.687 22.101 4.957 226 HB3 HIS 25 HB1 HIS 25 35.206 22.817 4.279 227 HD1 HIS 25 HD1 HIS 25 34.821 25.183 4.938 228 HD2 HIS 25 HD2 HIS 25 37.085 23.102 7.805 229 HE1 HIS 25 HE1 HIS 25 35.386 26.832 6.806 230 H LEU 26 HN LEU 26 33.350 22.775 4.347 231 HA LEU 26 HA LEU 26 31.315 23.867 4.574 232 HB2 LEU 26 HB2 LEU 26 30.900 21.370 6.248 233 HB3 LEU 26 HB1 LEU 26 29.596 22.549 6.016 234 HG LEU 26 HG LEU 26 29.645 20.554 4.399 235 HD11 LEU 26 HD11 LEU 26 28.795 21.816 2.585 236 HD12 LEU 26 HD12 LEU 26 29.856 23.201 2.914 237 HD13 LEU 26 HD13 LEU 26 28.495 22.845 4.000 238 HD21 LEU 26 HD21 LEU 26 32.163 20.654 4.092 239 HD22 LEU 26 HD22 LEU 26 31.922 22.108 3.092 240 HD23 LEU 26 HD23 LEU 26 31.230 20.550 2.582 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 57.880 -2.911 -1.612 2 H2 GLY 1 HT2 GLY 1 59.122 -3.669 -2.488 3 H3 GLY 1 HT3 GLY 1 58.154 -2.485 -3.228 4 HA2 GLY 1 HA1 GLY 1 60.333 -2.214 -1.324 5 HA3 GLY 1 HA2 GLY 1 59.979 -1.280 -2.790 6 H ARG 2 HN ARG 2 59.909 0.762 -2.043 7 HA ARG 2 HA ARG 2 57.555 1.547 -0.526 8 HB2 ARG 2 HB2 ARG 2 58.756 2.542 1.397 9 HB3 ARG 2 HB1 ARG 2 58.946 0.772 1.354 10 HG2 ARG 2 HG2 ARG 2 61.135 1.140 0.107 11 HG3 ARG 2 HG1 ARG 2 60.963 2.875 0.467 12 HD2 ARG 2 HD2 ARG 2 60.858 2.350 2.896 13 HD3 ARG 2 HD1 ARG 2 61.074 0.623 2.522 14 HE ARG 2 HE ARG 2 63.373 1.066 2.285 15 HH11 ARG 2 HH11 ARG 2 64.966 2.337 1.129 16 HH12 ARG 2 HH12 ARG 2 64.828 4.059 1.234 17 HH21 ARG 2 HH21 ARG 2 61.696 3.982 2.721 18 HH22 ARG 2 HH22 ARG 2 62.974 4.991 2.136 19 H ARG 3 HN ARG 3 60.748 2.288 -1.858 20 HA ARG 3 HA ARG 3 61.583 4.228 -2.827 21 HB2 ARG 3 HB2 ARG 3 58.662 4.387 -3.663 22 HB3 ARG 3 HB1 ARG 3 59.954 5.405 -4.342 23 HG2 ARG 3 HG2 ARG 3 61.196 3.310 -4.981 24 HG3 ARG 3 HG1 ARG 3 59.795 2.361 -4.429 25 HD2 ARG 3 HD2 ARG 3 59.797 4.465 -6.638 26 HD3 ARG 3 HD1 ARG 3 59.652 2.705 -6.856 27 HE ARG 3 HE ARG 3 57.582 3.628 -5.087 28 HH11 ARG 3 HH11 ARG 3 57.415 1.832 -7.592 29 HH12 ARG 3 HH12 ARG 3 56.353 2.775 -8.584 30 HH21 ARG 3 HH21 ARG 3 56.724 5.662 -6.698 31 HH22 ARG 3 HH22 ARG 3 55.962 4.943 -8.077 32 H LYS 4 HN LYS 4 58.426 5.756 -2.465 33 HA LYS 4 HA LYS 4 59.660 7.997 -1.045 34 HB2 LYS 4 HB2 LYS 4 56.714 7.442 -1.565 35 HB3 LYS 4 HB1 LYS 4 57.459 9.008 -1.166 36 HG2 LYS 4 HG2 LYS 4 58.768 8.937 -3.257 37 HG3 LYS 4 HG1 LYS 4 58.063 7.352 -3.655 38 HD2 LYS 4 HD2 LYS 4 55.819 8.330 -3.753 39 HD3 LYS 4 HD1 LYS 4 56.458 9.912 -3.244 40 HE2 LYS 4 HE2 LYS 4 57.735 10.143 -5.279 41 HE3 LYS 4 HE1 LYS 4 57.401 8.459 -5.749 42 HZ1 LYS 4 HZ1 LYS 4 54.930 9.338 -5.479 43 HZ2 LYS 4 HZ2 LYS 4 55.790 9.495 -6.936 44 HZ3 LYS 4 HZ3 LYS 4 55.667 10.813 -5.872 45 H ARG 5 HN ARG 5 59.868 5.484 0.356 46 HA ARG 5 HA ARG 5 59.570 4.636 2.489 47 HB2 ARG 5 HB2 ARG 5 58.652 7.465 3.141 48 HB3 ARG 5 HB1 ARG 5 59.204 6.237 4.304 49 HG2 ARG 5 HG2 ARG 5 61.428 6.208 3.289 50 HG3 ARG 5 HG1 ARG 5 60.893 7.325 2.010 51 HD2 ARG 5 HD2 ARG 5 60.361 9.023 3.787 52 HD3 ARG 5 HD1 ARG 5 61.051 7.917 4.998 53 HE ARG 5 HE ARG 5 62.974 8.322 2.914 54 HH11 ARG 5 HH11 ARG 5 63.145 8.666 6.009 55 HH12 ARG 5 HH12 ARG 5 63.671 10.313 6.096 56 HH21 ARG 5 HH21 ARG 5 62.892 11.015 2.790 57 HH22 ARG 5 HH22 ARG 5 63.528 11.643 4.274 58 H LYS 6 HN LYS 6 56.945 7.055 2.663 59 HA LYS 6 HA LYS 6 54.869 5.025 2.222 60 HB2 LYS 6 HB2 LYS 6 53.882 5.471 4.568 61 HB3 LYS 6 HB1 LYS 6 55.290 4.385 4.473 62 HG2 LYS 6 HG2 LYS 6 56.798 6.140 5.167 63 HG3 LYS 6 HG1 LYS 6 55.526 7.372 5.011 64 HD2 LYS 6 HD2 LYS 6 55.786 6.825 7.372 65 HD3 LYS 6 HD1 LYS 6 54.223 6.190 6.808 66 HE2 LYS 6 HE2 LYS 6 55.013 3.949 6.775 67 HE3 LYS 6 HE1 LYS 6 56.720 4.452 6.807 68 HZ1 LYS 6 HZ1 LYS 6 55.113 3.817 8.971 69 HZ2 LYS 6 HZ2 LYS 6 55.330 5.500 9.047 70 HZ3 LYS 6 HZ3 LYS 6 56.679 4.468 9.009 71 H TRP 7 HN TRP 7 54.906 6.914 0.606 72 HA TRP 7 HA TRP 7 52.707 8.724 1.391 73 HB2 TRP 7 HB2 TRP 7 54.732 9.982 2.108 74 HB3 TRP 7 HB1 TRP 7 55.386 9.841 0.458 75 HD1 TRP 7 HD1 TRP 7 54.780 11.735 -1.122 76 HE1 TRP 7 HE1 TRP 7 52.994 13.624 -1.221 77 HE3 TRP 7 HE3 TRP 7 52.018 10.449 2.992 78 HZ2 TRP 7 HZ2 TRP 7 50.688 14.438 0.300 79 HZ3 TRP 7 HZ3 TRP 7 50.029 11.797 3.649 80 HH2 TRP 7 HH2 TRP 7 49.362 13.787 2.308 81 H LEU 8 HN LEU 8 53.865 6.548 -0.573 82 HA LEU 8 HA LEU 8 53.560 7.866 -3.177 83 HB2 LEU 8 HB2 LEU 8 53.436 5.125 -3.702 84 HB3 LEU 8 HB1 LEU 8 54.926 6.078 -3.619 85 HG LEU 8 HG LEU 8 55.135 5.520 -1.192 86 HD11 LEU 8 HD11 LEU 8 52.902 3.494 -1.643 87 HD12 LEU 8 HD12 LEU 8 52.580 5.090 -0.933 88 HD13 LEU 8 HD13 LEU 8 53.679 3.962 -0.112 89 HD21 LEU 8 HD21 LEU 8 55.674 3.099 -1.556 90 HD22 LEU 8 HD22 LEU 8 56.297 4.157 -2.845 91 HD23 LEU 8 HD23 LEU 8 54.833 3.183 -3.123 92 H ARG 9 HN ARG 9 51.425 8.789 -2.445 93 HA ARG 9 HA ARG 9 49.105 8.786 -2.509 94 HB2 ARG 9 HB2 ARG 9 49.594 6.729 -4.698 95 HB3 ARG 9 HB1 ARG 9 48.121 7.698 -4.482 96 HG2 ARG 9 HG2 ARG 9 50.860 8.988 -4.841 97 HG3 ARG 9 HG1 ARG 9 49.850 8.532 -6.227 98 HD2 ARG 9 HD2 ARG 9 47.971 9.918 -5.139 99 HD3 ARG 9 HD1 ARG 9 49.218 10.550 -4.037 100 HE ARG 9 HE ARG 9 49.986 11.884 -5.816 101 HH11 ARG 9 HH11 ARG 9 47.215 11.317 -7.061 102 HH12 ARG 9 HH12 ARG 9 47.680 10.884 -8.673 103 HH21 ARG 9 HH21 ARG 9 51.019 10.413 -7.867 104 HH22 ARG 9 HH22 ARG 9 49.834 10.373 -9.129 105 H ARG 10 HN ARG 10 50.437 6.799 -0.719 106 HA ARG 10 HA ARG 10 49.137 4.305 -0.704 107 HB2 ARG 10 HB2 ARG 10 49.302 4.736 1.962 108 HB3 ARG 10 HB1 ARG 10 50.746 4.427 0.970 109 HG2 ARG 10 HG2 ARG 10 51.333 6.728 0.876 110 HG3 ARG 10 HG1 ARG 10 49.723 7.257 1.416 111 HD2 ARG 10 HD2 ARG 10 51.730 5.695 3.103 112 HD3 ARG 10 HD1 ARG 10 51.397 7.437 3.243 113 HE ARG 10 HE ARG 10 48.932 6.000 3.501 114 HH11 ARG 10 HH11 ARG 10 49.126 4.359 5.409 115 HH12 ARG 10 HH12 ARG 10 49.705 5.108 6.861 116 HH21 ARG 10 HH21 ARG 10 50.893 7.936 5.244 117 HH22 ARG 10 HH22 ARG 10 50.704 7.132 6.768 118 H ILE 11 HN ILE 11 48.150 6.537 1.853 119 HA ILE 11 HA ILE 11 45.351 5.681 1.492 120 HB ILE 11 HB ILE 11 46.256 5.866 3.777 121 HG12 ILE 11 HG12 ILE 11 44.538 7.262 4.805 122 HG13 ILE 11 HG11 ILE 11 44.294 8.162 3.295 123 HG21 ILE 11 HG21 ILE 11 46.946 8.042 4.696 124 HG22 ILE 11 HG22 ILE 11 46.633 8.821 3.127 125 HG23 ILE 11 HG23 ILE 11 47.942 7.626 3.283 126 HD11 ILE 11 HD1 ILE 11 43.218 6.337 2.238 127 HD12 ILE 11 HD2 ILE 11 42.621 6.227 3.908 128 HD13 ILE 11 HD3 ILE 11 43.923 5.146 3.358 129 H GLY 12 HN GLY 12 47.409 8.267 0.488 130 HA2 GLY 12 HA1 GLY 12 45.639 10.454 0.400 131 HA3 GLY 12 HA2 GLY 12 46.945 10.158 -0.767 132 H LYS 13 HN LYS 13 46.070 7.838 -2.020 133 HA LYS 13 HA LYS 13 44.337 8.826 -3.996 134 HB2 LYS 13 HB2 LYS 13 45.669 6.784 -4.265 135 HB3 LYS 13 HB1 LYS 13 44.681 5.954 -3.046 136 HG2 LYS 13 HG2 LYS 13 43.104 7.183 -5.285 137 HG3 LYS 13 HG1 LYS 13 44.193 5.878 -5.791 138 HD2 LYS 13 HD2 LYS 13 42.161 5.637 -3.518 139 HD3 LYS 13 HD1 LYS 13 41.880 5.088 -5.181 140 HE2 LYS 13 HE2 LYS 13 44.242 3.803 -4.706 141 HE3 LYS 13 HE1 LYS 13 43.607 3.875 -3.044 142 HZ1 LYS 13 HZ1 LYS 13 42.940 2.003 -4.827 143 HZ2 LYS 13 HZ2 LYS 13 41.686 3.120 -5.088 144 HZ3 LYS 13 HZ3 LYS 13 41.944 2.475 -3.538 145 H GLY 14 HN GLY 14 43.634 7.992 -0.769 146 HA2 GLY 14 HA1 GLY 14 40.737 7.514 -1.313 147 HA3 GLY 14 HA2 GLY 14 41.585 7.279 0.226 148 H VAL 15 HN VAL 15 42.970 9.873 0.165 149 HA VAL 15 HA VAL 15 40.585 11.681 0.617 150 HB VAL 15 HB VAL 15 41.930 12.736 2.451 151 HG11 VAL 15 HG11 VAL 15 41.449 11.002 4.092 152 HG12 VAL 15 HG12 VAL 15 41.483 9.744 2.833 153 HG13 VAL 15 HG13 VAL 15 40.183 10.958 2.843 154 HG21 VAL 15 HG21 VAL 15 44.184 12.104 1.855 155 HG22 VAL 15 HG22 VAL 15 43.763 10.375 1.849 156 HG23 VAL 15 HG23 VAL 15 43.809 11.276 3.382 157 H LYS 16 HN LYS 16 44.073 11.488 -0.184 158 HA LYS 16 HA LYS 16 44.459 14.241 -0.750 159 HB2 LYS 16 HB2 LYS 16 46.270 12.526 -0.638 160 HB3 LYS 16 HB1 LYS 16 45.713 11.877 -2.199 161 HG2 LYS 16 HG2 LYS 16 46.187 13.972 -3.321 162 HG3 LYS 16 HG1 LYS 16 46.532 14.780 -1.773 163 HD2 LYS 16 HD2 LYS 16 48.468 13.302 -1.406 164 HD3 LYS 16 HD1 LYS 16 48.112 12.438 -2.921 165 HE2 LYS 16 HE2 LYS 16 48.341 14.654 -4.137 166 HE3 LYS 16 HE1 LYS 16 48.928 15.356 -2.610 167 HZ1 LYS 16 HZ1 LYS 16 50.399 13.085 -2.880 168 HZ2 LYS 16 HZ2 LYS 16 50.919 14.652 -3.277 169 HZ3 LYS 16 HZ3 LYS 16 50.280 13.637 -4.479 170 H ILE 17 HN ILE 17 43.011 11.642 -2.672 171 HA ILE 17 HA ILE 17 42.965 13.024 -5.179 172 HB ILE 17 HB ILE 17 42.507 10.586 -4.897 173 HG12 ILE 17 HG12 ILE 17 40.015 11.848 -6.124 174 HG13 ILE 17 HG11 ILE 17 41.609 12.088 -6.871 175 HG21 ILE 17 HG21 ILE 17 41.127 10.898 -2.805 176 HG22 ILE 17 HG22 ILE 17 40.394 9.805 -4.000 177 HG23 ILE 17 HG23 ILE 17 39.790 11.470 -3.827 178 HD11 ILE 17 HD1 ILE 17 40.517 10.166 -7.906 179 HD12 ILE 17 HD2 ILE 17 40.245 9.416 -6.316 180 HD13 ILE 17 HD3 ILE 17 41.901 9.594 -6.946 181 H ILE 18 HN ILE 18 41.635 13.968 -2.310 182 HA ILE 18 HA ILE 18 40.060 15.563 -1.755 183 HB ILE 18 HB ILE 18 39.732 16.176 -4.723 184 HG12 ILE 18 HG12 ILE 18 41.891 17.109 -2.773 185 HG13 ILE 18 HG11 ILE 18 42.140 16.128 -4.235 186 HG21 ILE 18 HG21 ILE 18 38.209 17.200 -2.914 187 HG22 ILE 18 HG22 ILE 18 39.070 18.348 -3.965 188 HG23 ILE 18 HG23 ILE 18 39.661 18.037 -2.315 189 HD11 ILE 18 HD1 ILE 18 41.020 18.107 -5.512 190 HD12 ILE 18 HD2 ILE 18 42.686 18.331 -4.927 191 HD13 ILE 18 HD3 ILE 18 41.327 19.045 -4.030 192 H GLY 19 HN GLY 19 38.596 14.022 -1.005 193 HA2 GLY 19 HA1 GLY 19 36.052 14.043 -2.411 194 HA3 GLY 19 HA2 GLY 19 36.831 12.448 -2.458 195 H GLY 20 HN GLY 20 37.458 14.539 0.247 196 HA2 GLY 20 HA1 GLY 20 35.261 13.678 1.902 197 HA3 GLY 20 HA2 GLY 20 36.691 12.669 2.193 198 H ALA 21 HN ALA 21 38.435 15.044 1.439 199 HA ALA 21 HA ALA 21 38.718 16.047 4.160 200 HB1 ALA 21 HB1 ALA 21 40.627 15.670 2.605 201 HB2 ALA 21 HB2 ALA 21 40.581 17.323 3.260 202 HB3 ALA 21 HB3 ALA 21 40.034 17.008 1.595 203 H ALA 22 HN ALA 22 36.314 16.642 2.188 204 HA ALA 22 HA ALA 22 35.774 19.266 3.318 205 HB1 ALA 22 HB1 ALA 22 35.613 20.478 1.167 206 HB2 ALA 22 HB2 ALA 22 36.308 19.068 0.333 207 HB3 ALA 22 HB3 ALA 22 37.281 19.970 1.519 208 H LEU 23 HN LEU 23 35.044 16.938 0.702 209 HA LEU 23 HA LEU 23 32.186 17.625 0.734 210 HB2 LEU 23 HB2 LEU 23 33.440 15.165 -0.527 211 HB3 LEU 23 HB1 LEU 23 31.965 16.033 -1.013 212 HG LEU 23 HG LEU 23 34.835 17.049 -1.214 213 HD11 LEU 23 HD11 LEU 23 34.427 16.975 -3.622 214 HD12 LEU 23 HD12 LEU 23 32.736 16.488 -3.357 215 HD13 LEU 23 HD13 LEU 23 34.060 15.377 -2.929 216 HD21 LEU 23 HD21 LEU 23 33.638 18.987 -2.448 217 HD22 LEU 23 HD22 LEU 23 33.511 18.971 -0.674 218 HD23 LEU 23 HD23 LEU 23 32.144 18.408 -1.669 219 H ASP 24 HN ASP 24 32.660 17.152 3.287 220 HA ASP 24 HA ASP 24 31.039 14.774 3.812 221 HB2 ASP 24 HB2 ASP 24 33.275 13.731 3.599 222 HB3 ASP 24 HB1 ASP 24 33.910 14.848 4.831 223 H HIS 25 HN HIS 25 32.579 17.734 4.627 224 HA HIS 25 HA HIS 25 31.882 17.705 7.468 225 HB2 HIS 25 HB2 HIS 25 32.655 19.971 5.587 226 HB3 HIS 25 HB1 HIS 25 32.484 20.121 7.352 227 HD1 HIS 25 HD1 HIS 25 34.795 20.228 8.298 228 HD2 HIS 25 HD2 HIS 25 34.475 17.363 5.236 229 HE1 HIS 25 HE1 HIS 25 37.029 18.994 8.173 230 H LEU 26 HN LEU 26 29.689 17.015 5.711 231 HA LEU 26 HA LEU 26 27.948 19.321 5.415 232 HB2 LEU 26 HB2 LEU 26 27.041 16.430 5.629 233 HB3 LEU 26 HB1 LEU 26 26.294 17.764 4.717 234 HG LEU 26 HG LEU 26 28.980 16.442 4.127 235 HD11 LEU 26 HD11 LEU 26 26.903 15.159 3.512 236 HD12 LEU 26 HD12 LEU 26 27.873 15.645 2.102 237 HD13 LEU 26 HD13 LEU 26 26.391 16.541 2.514 238 HD21 LEU 26 HD21 LEU 26 28.773 17.933 2.016 239 HD22 LEU 26 HD22 LEU 26 29.233 18.744 3.528 240 HD23 LEU 26 HD23 LEU 26 27.561 18.859 2.930 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 57.279 -0.584 0.926 2 H2 GLY 1 HT2 GLY 1 56.770 -1.875 -0.053 3 H3 GLY 1 HT3 GLY 1 56.277 -1.788 1.571 4 HA2 GLY 1 HA1 GLY 1 55.103 -0.688 -0.725 5 HA3 GLY 1 HA2 GLY 1 54.477 -0.780 0.933 6 H ARG 2 HN ARG 2 56.250 0.723 2.364 7 HA ARG 2 HA ARG 2 55.413 3.407 1.612 8 HB2 ARG 2 HB2 ARG 2 57.367 2.454 3.743 9 HB3 ARG 2 HB1 ARG 2 56.691 4.096 3.613 10 HG2 ARG 2 HG2 ARG 2 54.446 3.285 3.993 11 HG3 ARG 2 HG1 ARG 2 54.977 1.591 3.866 12 HD2 ARG 2 HD2 ARG 2 54.639 2.495 6.248 13 HD3 ARG 2 HD1 ARG 2 56.206 1.718 5.918 14 HE ARG 2 HE ARG 2 56.345 4.566 5.419 15 HH11 ARG 2 HH11 ARG 2 58.107 2.466 7.006 16 HH12 ARG 2 HH12 ARG 2 58.160 3.263 8.542 17 HH21 ARG 2 HH21 ARG 2 55.604 5.479 7.780 18 HH22 ARG 2 HH22 ARG 2 56.744 4.970 8.980 19 H ARG 3 HN ARG 3 56.430 3.315 -0.577 20 HA ARG 3 HA ARG 3 59.319 3.364 -0.792 21 HB2 ARG 3 HB2 ARG 3 57.205 4.448 -2.696 22 HB3 ARG 3 HB1 ARG 3 58.909 4.118 -3.092 23 HG2 ARG 3 HG2 ARG 3 58.515 1.712 -2.391 24 HG3 ARG 3 HG1 ARG 3 56.782 2.099 -2.268 25 HD2 ARG 3 HD2 ARG 3 57.250 1.133 -4.475 26 HD3 ARG 3 HD1 ARG 3 56.812 2.848 -4.656 27 HE ARG 3 HE ARG 3 59.654 2.659 -4.411 28 HH11 ARG 3 HH11 ARG 3 58.280 4.182 -6.575 29 HH12 ARG 3 HH12 ARG 3 58.691 3.271 -7.990 30 HH21 ARG 3 HH21 ARG 3 59.666 0.455 -6.216 31 HH22 ARG 3 HH22 ARG 3 59.473 1.161 -7.786 32 H LYS 4 HN LYS 4 56.891 5.974 -1.302 33 HA LYS 4 HA LYS 4 59.023 7.992 -0.716 34 HB2 LYS 4 HB2 LYS 4 56.171 8.459 -1.653 35 HB3 LYS 4 HB1 LYS 4 57.543 9.590 -1.719 36 HG2 LYS 4 HG2 LYS 4 58.727 7.937 -3.230 37 HG3 LYS 4 HG1 LYS 4 57.218 6.997 -3.283 38 HD2 LYS 4 HD2 LYS 4 56.032 9.066 -4.105 39 HD3 LYS 4 HD1 LYS 4 57.614 9.876 -4.202 40 HE2 LYS 4 HE2 LYS 4 58.404 8.044 -5.730 41 HE3 LYS 4 HE1 LYS 4 56.758 7.367 -5.709 42 HZ1 LYS 4 HZ1 LYS 4 56.049 8.918 -7.120 43 HZ2 LYS 4 HZ2 LYS 4 57.683 9.276 -7.419 44 HZ3 LYS 4 HZ3 LYS 4 56.806 10.181 -6.279 45 H ARG 5 HN ARG 5 58.393 6.591 1.544 46 HA ARG 5 HA ARG 5 57.608 6.852 3.713 47 HB2 ARG 5 HB2 ARG 5 57.696 9.757 2.815 48 HB3 ARG 5 HB1 ARG 5 57.391 9.252 4.495 49 HG2 ARG 5 HG2 ARG 5 59.545 8.132 4.617 50 HG3 ARG 5 HG1 ARG 5 59.837 8.411 2.882 51 HD2 ARG 5 HD2 ARG 5 59.723 10.890 3.323 52 HD3 ARG 5 HD1 ARG 5 59.616 10.530 5.064 53 HE ARG 5 HE ARG 5 61.887 9.161 4.240 54 HH11 ARG 5 HH11 ARG 5 60.793 12.337 4.802 55 HH12 ARG 5 HH12 ARG 5 62.318 13.085 4.464 56 HH21 ARG 5 HH21 ARG 5 63.838 10.139 3.446 57 HH22 ARG 5 HH22 ARG 5 64.042 11.841 3.695 58 H LYS 6 HN LYS 6 55.835 9.687 2.532 59 HA LYS 6 HA LYS 6 53.262 8.161 2.619 60 HB2 LYS 6 HB2 LYS 6 53.770 10.714 4.202 61 HB3 LYS 6 HB1 LYS 6 52.233 9.822 4.091 62 HG2 LYS 6 HG2 LYS 6 53.407 7.808 5.059 63 HG3 LYS 6 HG1 LYS 6 54.845 8.830 5.310 64 HD2 LYS 6 HD2 LYS 6 53.558 10.341 6.758 65 HD3 LYS 6 HD1 LYS 6 52.076 9.400 6.457 66 HE2 LYS 6 HE2 LYS 6 53.129 7.406 7.483 67 HE3 LYS 6 HE1 LYS 6 54.613 8.342 7.782 68 HZ1 LYS 6 HZ1 LYS 6 52.899 8.136 9.659 69 HZ2 LYS 6 HZ2 LYS 6 51.991 9.278 8.788 70 HZ3 LYS 6 HZ3 LYS 6 53.550 9.669 9.341 71 H TRP 7 HN TRP 7 53.554 8.510 0.291 72 HA TRP 7 HA TRP 7 52.046 10.824 -0.566 73 HB2 TRP 7 HB2 TRP 7 54.233 11.941 -0.195 74 HB3 TRP 7 HB1 TRP 7 54.999 10.785 -1.312 75 HD1 TRP 7 HD1 TRP 7 54.911 11.346 -3.804 76 HE1 TRP 7 HE1 TRP 7 53.742 13.135 -5.283 77 HE3 TRP 7 HE3 TRP 7 51.862 13.446 -0.269 78 HZ2 TRP 7 HZ2 TRP 7 51.753 15.190 -4.944 79 HZ3 TRP 7 HZ3 TRP 7 50.337 15.319 -0.869 80 HH2 TRP 7 HH2 TRP 7 50.279 16.193 -3.200 81 H LEU 8 HN LEU 8 52.892 7.743 -0.788 82 HA LEU 8 HA LEU 8 53.180 7.424 -3.680 83 HB2 LEU 8 HB2 LEU 8 52.461 4.940 -2.899 84 HB3 LEU 8 HB1 LEU 8 54.099 5.569 -2.628 85 HG LEU 8 HG LEU 8 52.016 6.130 -0.499 86 HD11 LEU 8 HD11 LEU 8 53.361 3.433 -0.952 87 HD12 LEU 8 HD12 LEU 8 51.614 3.770 -0.879 88 HD13 LEU 8 HD13 LEU 8 52.613 3.926 0.586 89 HD21 LEU 8 HD21 LEU 8 54.909 5.227 -0.187 90 HD22 LEU 8 HD22 LEU 8 53.905 6.146 0.958 91 HD23 LEU 8 HD23 LEU 8 54.497 6.922 -0.528 92 H ARG 9 HN ARG 9 50.729 5.569 -1.939 93 HA ARG 9 HA ARG 9 48.461 7.055 -2.928 94 HB2 ARG 9 HB2 ARG 9 47.759 5.111 -4.553 95 HB3 ARG 9 HB1 ARG 9 48.892 6.353 -5.129 96 HG2 ARG 9 HG2 ARG 9 49.652 4.062 -5.723 97 HG3 ARG 9 HG1 ARG 9 50.805 4.879 -4.649 98 HD2 ARG 9 HD2 ARG 9 50.154 3.578 -2.771 99 HD3 ARG 9 HD1 ARG 9 48.633 3.062 -3.542 100 HE ARG 9 HE ARG 9 50.797 2.127 -5.142 101 HH11 ARG 9 HH11 ARG 9 48.607 1.262 -2.744 102 HH12 ARG 9 HH12 ARG 9 49.438 -0.179 -2.260 103 HH21 ARG 9 HH21 ARG 9 52.229 0.458 -4.215 104 HH22 ARG 9 HH22 ARG 9 51.489 -0.634 -3.094 105 H ARG 10 HN ARG 10 49.614 5.559 -0.584 106 HA ARG 10 HA ARG 10 48.130 3.170 -0.133 107 HB2 ARG 10 HB2 ARG 10 48.484 3.839 2.351 108 HB3 ARG 10 HB1 ARG 10 49.936 3.617 1.345 109 HG2 ARG 10 HG2 ARG 10 50.277 5.954 1.094 110 HG3 ARG 10 HG1 ARG 10 48.624 6.354 1.618 111 HD2 ARG 10 HD2 ARG 10 50.318 6.829 3.392 112 HD3 ARG 10 HD1 ARG 10 49.145 5.591 3.904 113 HE ARG 10 HE ARG 10 51.530 4.429 2.691 114 HH11 ARG 10 HH11 ARG 10 52.068 2.720 4.221 115 HH12 ARG 10 HH12 ARG 10 52.262 3.191 5.877 116 HH21 ARG 10 HH21 ARG 10 50.943 6.363 5.404 117 HH22 ARG 10 HH22 ARG 10 51.624 5.253 6.546 118 H ILE 11 HN ILE 11 46.094 3.725 -1.102 119 HA ILE 11 HA ILE 11 43.912 4.355 -1.052 120 HB ILE 11 HB ILE 11 42.637 4.116 0.946 121 HG12 ILE 11 HG12 ILE 11 45.082 3.970 2.760 122 HG13 ILE 11 HG11 ILE 11 44.393 5.560 2.382 123 HG21 ILE 11 HG21 ILE 11 45.053 2.266 1.132 124 HG22 ILE 11 HG22 ILE 11 43.723 2.098 -0.036 125 HG23 ILE 11 HG23 ILE 11 43.403 1.922 1.703 126 HD11 ILE 11 HD1 ILE 11 42.172 4.790 3.167 127 HD12 ILE 11 HD2 ILE 11 43.407 4.684 4.444 128 HD13 ILE 11 HD3 ILE 11 42.881 3.213 3.593 129 H GLY 12 HN GLY 12 46.290 6.464 0.185 130 HA2 GLY 12 HA1 GLY 12 44.501 8.650 0.871 131 HA3 GLY 12 HA2 GLY 12 46.250 8.755 0.552 132 H LYS 13 HN LYS 13 45.833 7.209 -1.990 133 HA LYS 13 HA LYS 13 45.733 9.390 -3.803 134 HB2 LYS 13 HB2 LYS 13 46.585 7.175 -4.436 135 HB3 LYS 13 HB1 LYS 13 44.959 6.476 -4.242 136 HG2 LYS 13 HG2 LYS 13 44.093 7.731 -6.098 137 HG3 LYS 13 HG1 LYS 13 45.530 8.774 -6.155 138 HD2 LYS 13 HD2 LYS 13 45.654 7.122 -7.962 139 HD3 LYS 13 HD1 LYS 13 46.920 6.785 -6.760 140 HE2 LYS 13 HE2 LYS 13 45.584 4.758 -7.608 141 HE3 LYS 13 HE1 LYS 13 45.704 4.936 -5.844 142 HZ1 LYS 13 HZ1 LYS 13 43.425 4.448 -6.754 143 HZ2 LYS 13 HZ2 LYS 13 43.427 6.008 -7.427 144 HZ3 LYS 13 HZ3 LYS 13 43.525 5.807 -5.744 145 H GLY 14 HN GLY 14 43.254 7.903 -1.978 146 HA2 GLY 14 HA1 GLY 14 41.098 8.926 -3.794 147 HA3 GLY 14 HA2 GLY 14 40.906 7.731 -2.501 148 H VAL 15 HN VAL 15 42.046 8.895 -0.300 149 HA VAL 15 HA VAL 15 40.131 11.159 0.138 150 HB VAL 15 HB VAL 15 40.695 10.801 2.566 151 HG11 VAL 15 HG11 VAL 15 39.799 8.290 1.087 152 HG12 VAL 15 HG12 VAL 15 38.758 9.698 1.403 153 HG13 VAL 15 HG13 VAL 15 39.396 8.741 2.760 154 HG21 VAL 15 HG21 VAL 15 42.951 9.816 2.237 155 HG22 VAL 15 HG22 VAL 15 42.216 8.402 1.445 156 HG23 VAL 15 HG23 VAL 15 41.904 8.720 3.167 157 H LYS 16 HN LYS 16 43.612 10.395 0.241 158 HA LYS 16 HA LYS 16 44.300 12.985 1.411 159 HB2 LYS 16 HB2 LYS 16 45.674 10.845 1.587 160 HB3 LYS 16 HB1 LYS 16 46.143 11.106 -0.109 161 HG2 LYS 16 HG2 LYS 16 47.086 13.302 0.452 162 HG3 LYS 16 HG1 LYS 16 46.551 13.126 2.139 163 HD2 LYS 16 HD2 LYS 16 47.969 11.055 2.318 164 HD3 LYS 16 HD1 LYS 16 48.588 11.390 0.682 165 HE2 LYS 16 HE2 LYS 16 48.812 13.248 3.091 166 HE3 LYS 16 HE1 LYS 16 50.132 12.280 2.394 167 HZ1 LYS 16 HZ1 LYS 16 49.502 13.495 0.229 168 HZ2 LYS 16 HZ2 LYS 16 50.401 14.334 1.401 169 HZ3 LYS 16 HZ3 LYS 16 48.732 14.614 1.243 170 H ILE 17 HN ILE 17 43.882 11.687 -1.848 171 HA ILE 17 HA ILE 17 45.383 13.583 -3.297 172 HB ILE 17 HB ILE 17 44.330 11.641 -4.383 173 HG12 ILE 17 HG12 ILE 17 43.451 12.721 -6.401 174 HG13 ILE 17 HG11 ILE 17 43.149 14.229 -5.515 175 HG21 ILE 17 HG21 ILE 17 41.681 13.091 -4.035 176 HG22 ILE 17 HG22 ILE 17 42.230 11.788 -2.956 177 HG23 ILE 17 HG23 ILE 17 41.947 11.458 -4.682 178 HD11 ILE 17 HD1 ILE 17 45.451 14.739 -5.343 179 HD12 ILE 17 HD2 ILE 17 45.340 14.010 -6.962 180 HD13 ILE 17 HD3 ILE 17 45.946 13.046 -5.595 181 H ILE 18 HN ILE 18 42.218 13.895 -1.725 182 HA ILE 18 HA ILE 18 42.431 16.783 -1.813 183 HB ILE 18 HB ILE 18 41.626 16.173 -4.199 184 HG12 ILE 18 HG12 ILE 18 39.904 17.979 -2.438 185 HG13 ILE 18 HG11 ILE 18 41.436 18.438 -3.219 186 HG21 ILE 18 HG21 ILE 18 39.397 15.450 -4.543 187 HG22 ILE 18 HG22 ILE 18 38.910 15.831 -2.873 188 HG23 ILE 18 HG23 ILE 18 39.950 14.427 -3.199 189 HD11 ILE 18 HD1 ILE 18 40.323 17.779 -5.447 190 HD12 ILE 18 HD2 ILE 18 39.713 19.257 -4.664 191 HD13 ILE 18 HD3 ILE 18 38.789 17.741 -4.545 192 H GLY 19 HN GLY 19 40.762 13.819 -1.082 193 HA2 GLY 19 HA1 GLY 19 38.576 15.013 0.392 194 HA3 GLY 19 HA2 GLY 19 39.105 13.321 0.463 195 H GLY 20 HN GLY 20 41.547 15.692 1.038 196 HA2 GLY 20 HA1 GLY 20 41.087 15.970 3.892 197 HA3 GLY 20 HA2 GLY 20 42.313 14.737 3.534 198 H ALA 21 HN ALA 21 43.600 15.789 1.344 199 HA ALA 21 HA ALA 21 45.326 17.724 2.607 200 HB1 ALA 21 HB1 ALA 21 45.973 16.063 0.819 201 HB2 ALA 21 HB2 ALA 21 46.530 17.729 0.529 202 HB3 ALA 21 HB3 ALA 21 45.120 17.094 -0.354 203 H ALA 22 HN ALA 22 42.258 18.128 1.564 204 HA ALA 22 HA ALA 22 42.629 21.049 1.266 205 HB1 ALA 22 HB1 ALA 22 42.863 20.154 -1.051 206 HB2 ALA 22 HB2 ALA 22 41.436 21.197 -0.844 207 HB3 ALA 22 HB3 ALA 22 41.247 19.426 -0.900 208 H LEU 23 HN LEU 23 40.501 18.197 1.320 209 HA LEU 23 HA LEU 23 38.148 19.793 2.057 210 HB2 LEU 23 HB2 LEU 23 38.156 17.571 0.762 211 HB3 LEU 23 HB1 LEU 23 38.501 16.787 2.319 212 HG LEU 23 HG LEU 23 36.396 18.204 3.165 213 HD11 LEU 23 HD11 LEU 23 34.672 18.400 1.357 214 HD12 LEU 23 HD12 LEU 23 35.917 17.997 0.154 215 HD13 LEU 23 HD13 LEU 23 36.046 19.496 1.101 216 HD21 LEU 23 HD21 LEU 23 36.436 15.767 3.161 217 HD22 LEU 23 HD22 LEU 23 36.207 15.725 1.396 218 HD23 LEU 23 HD23 LEU 23 34.896 16.307 2.450 219 H ASP 24 HN ASP 24 40.034 20.569 3.805 220 HA ASP 24 HA ASP 24 38.862 19.771 6.346 221 HB2 ASP 24 HB2 ASP 24 40.395 17.846 5.956 222 HB3 ASP 24 HB1 ASP 24 41.758 18.984 5.839 223 H HIS 25 HN HIS 25 40.676 21.752 4.294 224 HA HIS 25 HA HIS 25 42.111 23.301 6.277 225 HB2 HIS 25 HB2 HIS 25 42.640 23.254 3.823 226 HB3 HIS 25 HB1 HIS 25 41.147 24.175 3.526 227 HD1 HIS 25 HD1 HIS 25 44.638 24.473 4.919 228 HD2 HIS 25 HD2 HIS 25 41.206 26.873 4.557 229 HE1 HIS 25 HE1 HIS 25 45.342 26.885 5.383 230 H LEU 26 HN LEU 26 39.182 24.088 4.334 231 HA LEU 26 HA LEU 26 37.431 25.535 4.802 232 HB2 LEU 26 HB2 LEU 26 37.946 25.003 7.747 233 HB3 LEU 26 HB1 LEU 26 36.397 25.318 6.928 234 HG LEU 26 HG LEU 26 38.145 22.836 6.615 235 HD11 LEU 26 HD11 LEU 26 36.856 22.941 8.724 236 HD12 LEU 26 HD12 LEU 26 36.190 21.699 7.636 237 HD13 LEU 26 HD13 LEU 26 35.368 23.269 7.805 238 HD21 LEU 26 HD21 LEU 26 35.615 23.770 5.194 239 HD22 LEU 26 HD22 LEU 26 36.074 22.051 5.275 240 HD23 LEU 26 HD23 LEU 26 37.145 23.220 4.472 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 53.207 -1.621 1.666 2 H2 GLY 1 HT2 GLY 1 53.894 -0.622 2.858 3 H3 GLY 1 HT3 GLY 1 54.484 -2.198 2.619 4 HA2 GLY 1 HA1 GLY 1 55.713 -1.663 0.886 5 HA3 GLY 1 HA2 GLY 1 54.501 -0.508 0.297 6 H ARG 2 HN ARG 2 54.321 1.574 1.404 7 HA ARG 2 HA ARG 2 55.367 3.542 2.057 8 HB2 ARG 2 HB2 ARG 2 56.924 1.788 3.990 9 HB3 ARG 2 HB1 ARG 2 56.465 3.498 4.185 10 HG2 ARG 2 HG2 ARG 2 54.055 2.821 4.157 11 HG3 ARG 2 HG1 ARG 2 54.561 1.117 4.068 12 HD2 ARG 2 HD2 ARG 2 54.083 1.699 6.400 13 HD3 ARG 2 HD1 ARG 2 55.830 1.422 6.207 14 HE ARG 2 HE ARG 2 55.433 4.182 5.812 15 HH11 ARG 2 HH11 ARG 2 57.267 3.362 7.904 16 HH12 ARG 2 HH12 ARG 2 56.444 3.783 9.369 17 HH21 ARG 2 HH21 ARG 2 53.337 4.066 7.855 18 HH22 ARG 2 HH22 ARG 2 54.219 4.182 9.341 19 H ARG 3 HN ARG 3 56.480 2.419 -0.220 20 HA ARG 3 HA ARG 3 59.375 2.217 0.031 21 HB2 ARG 3 HB2 ARG 3 57.801 2.822 -2.497 22 HB3 ARG 3 HB1 ARG 3 59.383 2.018 -2.349 23 HG2 ARG 3 HG2 ARG 3 58.230 0.183 -1.031 24 HG3 ARG 3 HG1 ARG 3 56.677 0.946 -1.447 25 HD2 ARG 3 HD2 ARG 3 57.389 0.786 -3.898 26 HD3 ARG 3 HD1 ARG 3 58.739 -0.236 -3.350 27 HE ARG 3 HE ARG 3 57.189 -1.988 -2.962 28 HH11 ARG 3 HH11 ARG 3 55.668 0.195 -4.856 29 HH12 ARG 3 HH12 ARG 3 54.059 -0.104 -4.290 30 HH21 ARG 3 HH21 ARG 3 55.082 -2.020 -1.587 31 HH22 ARG 3 HH22 ARG 3 53.728 -1.358 -2.440 32 H LYS 4 HN LYS 4 57.319 4.802 0.377 33 HA LYS 4 HA LYS 4 59.519 6.711 0.054 34 HB2 LYS 4 HB2 LYS 4 58.606 6.440 -2.295 35 HB3 LYS 4 HB1 LYS 4 57.059 7.084 -1.697 36 HG2 LYS 4 HG2 LYS 4 58.118 9.176 -1.037 37 HG3 LYS 4 HG1 LYS 4 59.730 8.534 -1.435 38 HD2 LYS 4 HD2 LYS 4 58.993 8.259 -3.813 39 HD3 LYS 4 HD1 LYS 4 57.440 9.017 -3.389 40 HE2 LYS 4 HE2 LYS 4 59.074 10.643 -4.374 41 HE3 LYS 4 HE1 LYS 4 58.582 11.078 -2.721 42 HZ1 LYS 4 HZ1 LYS 4 61.156 10.694 -3.649 43 HZ2 LYS 4 HZ2 LYS 4 60.826 9.331 -2.688 44 HZ3 LYS 4 HZ3 LYS 4 60.671 10.892 -2.036 45 H ARG 5 HN ARG 5 58.786 6.527 2.377 46 HA ARG 5 HA ARG 5 57.620 7.382 4.192 47 HB2 ARG 5 HB2 ARG 5 57.354 9.748 2.291 48 HB3 ARG 5 HB1 ARG 5 57.105 9.805 4.054 49 HG2 ARG 5 HG2 ARG 5 59.482 8.856 4.282 50 HG3 ARG 5 HG1 ARG 5 59.678 9.193 2.546 51 HD2 ARG 5 HD2 ARG 5 59.003 11.220 4.725 52 HD3 ARG 5 HD1 ARG 5 60.544 11.077 3.848 53 HE ARG 5 HE ARG 5 59.490 12.008 1.894 54 HH11 ARG 5 HH11 ARG 5 57.862 12.687 4.735 55 HH12 ARG 5 HH12 ARG 5 56.376 13.164 3.984 56 HH21 ARG 5 HH21 ARG 5 57.336 12.129 0.817 57 HH22 ARG 5 HH22 ARG 5 56.078 12.847 1.767 58 H LYS 6 HN LYS 6 55.560 9.578 2.585 59 HA LYS 6 HA LYS 6 53.317 7.621 2.342 60 HB2 LYS 6 HB2 LYS 6 53.106 10.121 4.068 61 HB3 LYS 6 HB1 LYS 6 51.863 8.874 3.813 62 HG2 LYS 6 HG2 LYS 6 53.477 7.187 4.812 63 HG3 LYS 6 HG1 LYS 6 54.533 8.554 5.244 64 HD2 LYS 6 HD2 LYS 6 52.607 9.577 6.499 65 HD3 LYS 6 HD1 LYS 6 51.663 8.106 6.167 66 HE2 LYS 6 HE2 LYS 6 54.342 8.168 7.624 67 HE3 LYS 6 HE1 LYS 6 52.752 8.042 8.415 68 HZ1 LYS 6 HZ1 LYS 6 53.165 5.852 8.196 69 HZ2 LYS 6 HZ2 LYS 6 54.244 6.052 6.898 70 HZ3 LYS 6 HZ3 LYS 6 52.567 6.083 6.627 71 H TRP 7 HN TRP 7 53.348 8.051 0.122 72 HA TRP 7 HA TRP 7 51.803 10.390 -0.644 73 HB2 TRP 7 HB2 TRP 7 54.111 11.372 -0.371 74 HB3 TRP 7 HB1 TRP 7 54.670 10.276 -1.655 75 HD1 TRP 7 HD1 TRP 7 53.564 10.611 -4.105 76 HE1 TRP 7 HE1 TRP 7 52.599 12.722 -5.279 77 HE3 TRP 7 HE3 TRP 7 52.879 13.579 0.008 78 HZ2 TRP 7 HZ2 TRP 7 51.665 15.333 -4.504 79 HZ3 TRP 7 HZ3 TRP 7 51.949 15.876 -0.231 80 HH2 TRP 7 HH2 TRP 7 51.342 16.755 -2.482 81 H LEU 8 HN LEU 8 53.350 7.378 -1.190 82 HA LEU 8 HA LEU 8 53.212 7.074 -3.972 83 HB2 LEU 8 HB2 LEU 8 52.238 4.688 -2.436 84 HB3 LEU 8 HB1 LEU 8 53.583 4.838 -3.582 85 HG LEU 8 HG LEU 8 54.722 6.243 -1.623 86 HD11 LEU 8 HD11 LEU 8 54.002 5.748 0.589 87 HD12 LEU 8 HD12 LEU 8 52.970 4.399 0.054 88 HD13 LEU 8 HD13 LEU 8 52.485 6.075 -0.277 89 HD21 LEU 8 HD21 LEU 8 55.596 4.108 -2.467 90 HD22 LEU 8 HD22 LEU 8 54.371 3.210 -1.538 91 HD23 LEU 8 HD23 LEU 8 55.647 4.114 -0.687 92 H ARG 9 HN ARG 9 50.677 5.571 -1.923 93 HA ARG 9 HA ARG 9 48.481 6.997 -3.063 94 HB2 ARG 9 HB2 ARG 9 47.603 5.038 -4.504 95 HB3 ARG 9 HB1 ARG 9 48.888 6.048 -5.196 96 HG2 ARG 9 HG2 ARG 9 49.405 3.689 -5.595 97 HG3 ARG 9 HG1 ARG 9 50.585 4.356 -4.452 98 HD2 ARG 9 HD2 ARG 9 49.673 3.178 -2.624 99 HD3 ARG 9 HD1 ARG 9 48.084 2.991 -3.409 100 HE ARG 9 HE ARG 9 50.343 1.194 -3.697 101 HH11 ARG 9 HH11 ARG 9 50.581 0.835 -6.204 102 HH12 ARG 9 HH12 ARG 9 49.093 0.316 -6.923 103 HH21 ARG 9 HH21 ARG 9 47.141 1.292 -4.227 104 HH22 ARG 9 HH22 ARG 9 47.145 0.577 -5.804 105 H ARG 10 HN ARG 10 49.719 5.464 -0.685 106 HA ARG 10 HA ARG 10 48.052 3.281 0.002 107 HB2 ARG 10 HB2 ARG 10 48.623 4.024 2.418 108 HB3 ARG 10 HB1 ARG 10 49.983 3.649 1.332 109 HG2 ARG 10 HG2 ARG 10 50.475 5.943 0.949 110 HG3 ARG 10 HG1 ARG 10 48.904 6.486 1.578 111 HD2 ARG 10 HD2 ARG 10 50.973 6.773 3.119 112 HD3 ARG 10 HD1 ARG 10 49.520 6.027 3.829 113 HE ARG 10 HE ARG 10 51.352 4.050 2.714 114 HH11 ARG 10 HH11 ARG 10 53.262 5.311 4.454 115 HH12 ARG 10 HH12 ARG 10 52.918 4.657 6.021 116 HH21 ARG 10 HH21 ARG 10 49.758 3.527 5.145 117 HH22 ARG 10 HH22 ARG 10 50.934 3.646 6.411 118 H ILE 11 HN ILE 11 45.973 3.974 -0.867 119 HA ILE 11 HA ILE 11 43.818 4.694 -0.574 120 HB ILE 11 HB ILE 11 44.773 4.536 2.300 121 HG12 ILE 11 HG12 ILE 11 43.970 2.562 0.776 122 HG13 ILE 11 HG11 ILE 11 43.367 2.654 2.441 123 HG21 ILE 11 HG21 ILE 11 42.138 5.770 1.418 124 HG22 ILE 11 HG22 ILE 11 43.356 6.442 2.526 125 HG23 ILE 11 HG23 ILE 11 42.377 5.046 3.027 126 HD11 ILE 11 HD1 ILE 11 41.809 3.857 0.112 127 HD12 ILE 11 HD2 ILE 11 41.227 3.454 1.740 128 HD13 ILE 11 HD3 ILE 11 41.633 2.158 0.595 129 H GLY 12 HN GLY 12 46.473 6.727 0.339 130 HA2 GLY 12 HA1 GLY 12 44.972 9.116 0.860 131 HA3 GLY 12 HA2 GLY 12 46.675 9.022 0.347 132 H LYS 13 HN LYS 13 46.019 7.388 -2.007 133 HA LYS 13 HA LYS 13 45.791 9.435 -3.947 134 HB2 LYS 13 HB2 LYS 13 46.559 7.168 -4.481 135 HB3 LYS 13 HB1 LYS 13 44.942 6.515 -4.128 136 HG2 LYS 13 HG2 LYS 13 43.961 7.643 -5.998 137 HG3 LYS 13 HG1 LYS 13 45.393 8.677 -6.224 138 HD2 LYS 13 HD2 LYS 13 45.397 6.915 -7.924 139 HD3 LYS 13 HD1 LYS 13 46.733 6.629 -6.783 140 HE2 LYS 13 HE2 LYS 13 45.556 4.861 -5.686 141 HE3 LYS 13 HE1 LYS 13 44.007 5.317 -6.437 142 HZ1 LYS 13 HZ1 LYS 13 46.364 4.448 -8.020 143 HZ2 LYS 13 HZ2 LYS 13 44.748 4.575 -8.527 144 HZ3 LYS 13 HZ3 LYS 13 45.206 3.355 -7.437 145 H GLY 14 HN GLY 14 43.437 8.187 -1.818 146 HA2 GLY 14 HA1 GLY 14 41.178 9.172 -3.541 147 HA3 GLY 14 HA2 GLY 14 41.040 8.009 -2.210 148 H VAL 15 HN VAL 15 42.438 9.242 -0.153 149 HA VAL 15 HA VAL 15 40.589 11.551 0.376 150 HB VAL 15 HB VAL 15 41.295 11.241 2.761 151 HG11 VAL 15 HG11 VAL 15 40.010 9.184 3.097 152 HG12 VAL 15 HG12 VAL 15 40.292 8.696 1.408 153 HG13 VAL 15 HG13 VAL 15 39.282 10.118 1.768 154 HG21 VAL 15 HG21 VAL 15 43.516 10.245 2.346 155 HG22 VAL 15 HG22 VAL 15 42.749 8.820 1.602 156 HG23 VAL 15 HG23 VAL 15 42.521 9.151 3.335 157 H LYS 16 HN LYS 16 44.042 10.693 0.216 158 HA LYS 16 HA LYS 16 44.914 13.253 1.303 159 HB2 LYS 16 HB2 LYS 16 46.259 11.118 1.332 160 HB3 LYS 16 HB1 LYS 16 46.508 11.319 -0.419 161 HG2 LYS 16 HG2 LYS 16 47.508 13.567 0.006 162 HG3 LYS 16 HG1 LYS 16 47.315 13.301 1.756 163 HD2 LYS 16 HD2 LYS 16 48.744 11.269 1.591 164 HD3 LYS 16 HD1 LYS 16 48.967 11.580 -0.147 165 HE2 LYS 16 HE2 LYS 16 50.894 12.503 0.960 166 HE3 LYS 16 HE1 LYS 16 49.868 13.884 0.502 167 HZ1 LYS 16 HZ1 LYS 16 50.674 14.025 2.801 168 HZ2 LYS 16 HZ2 LYS 16 49.880 12.571 3.177 169 HZ3 LYS 16 HZ3 LYS 16 48.981 13.942 2.733 170 H ILE 17 HN ILE 17 44.446 11.912 -1.986 171 HA ILE 17 HA ILE 17 45.672 13.961 -3.468 172 HB ILE 17 HB ILE 17 44.659 11.882 -4.444 173 HG12 ILE 17 HG12 ILE 17 43.614 14.488 -5.651 174 HG13 ILE 17 HG11 ILE 17 45.272 13.872 -5.839 175 HG21 ILE 17 HG21 ILE 17 42.489 12.177 -3.078 176 HG22 ILE 17 HG22 ILE 17 42.304 11.671 -4.773 177 HG23 ILE 17 HG23 ILE 17 42.008 13.362 -4.313 178 HD11 ILE 17 HD1 ILE 17 44.131 13.151 -7.801 179 HD12 ILE 17 HD2 ILE 17 42.686 12.667 -6.883 180 HD13 ILE 17 HD3 ILE 17 44.182 11.709 -6.759 181 H ILE 18 HN ILE 18 42.486 13.896 -1.885 182 HA ILE 18 HA ILE 18 42.039 16.755 -2.737 183 HB ILE 18 HB ILE 18 39.673 16.175 -1.635 184 HG12 ILE 18 HG12 ILE 18 40.355 13.377 -2.622 185 HG13 ILE 18 HG11 ILE 18 40.793 13.826 -0.960 186 HG21 ILE 18 HG21 ILE 18 39.004 15.118 -3.925 187 HG22 ILE 18 HG22 ILE 18 40.714 15.322 -4.361 188 HG23 ILE 18 HG23 ILE 18 39.731 16.739 -3.934 189 HD11 ILE 18 HD1 ILE 18 38.417 14.499 -0.545 190 HD12 ILE 18 HD2 ILE 18 38.582 12.780 -0.967 191 HD13 ILE 18 HD3 ILE 18 37.996 13.938 -2.180 192 H GLY 19 HN GLY 19 40.424 15.324 0.010 193 HA2 GLY 19 HA1 GLY 19 42.164 15.964 2.113 194 HA3 GLY 19 HA2 GLY 19 41.290 17.463 1.739 195 H GLY 20 HN GLY 20 39.521 14.653 0.971 196 HA2 GLY 20 HA1 GLY 20 37.763 13.572 2.028 197 HA3 GLY 20 HA2 GLY 20 38.415 14.114 3.587 198 H ALA 21 HN ALA 21 38.274 16.920 2.065 199 HA ALA 21 HA ALA 21 35.883 17.776 3.427 200 HB1 ALA 21 HB1 ALA 21 37.823 19.245 2.908 201 HB2 ALA 21 HB2 ALA 21 36.276 19.915 2.331 202 HB3 ALA 21 HB3 ALA 21 37.401 19.150 1.182 203 H ALA 22 HN ALA 22 36.649 17.351 -0.060 204 HA ALA 22 HA ALA 22 33.987 17.946 -0.957 205 HB1 ALA 22 HB1 ALA 22 36.244 16.337 -2.194 206 HB2 ALA 22 HB2 ALA 22 35.824 18.038 -2.506 207 HB3 ALA 22 HB3 ALA 22 34.732 16.739 -3.043 208 H LEU 23 HN LEU 23 35.583 14.982 0.140 209 HA LEU 23 HA LEU 23 33.385 13.248 -0.697 210 HB2 LEU 23 HB2 LEU 23 35.880 12.631 -0.301 211 HB3 LEU 23 HB1 LEU 23 35.462 12.608 1.424 212 HG LEU 23 HG LEU 23 33.454 11.037 0.616 213 HD11 LEU 23 HD11 LEU 23 35.523 10.705 -1.607 214 HD12 LEU 23 HD12 LEU 23 33.840 11.246 -1.800 215 HD13 LEU 23 HD13 LEU 23 34.184 9.579 -1.290 216 HD21 LEU 23 HD21 LEU 23 34.906 9.056 0.957 217 HD22 LEU 23 HD22 LEU 23 35.288 10.340 2.129 218 HD23 LEU 23 HD23 LEU 23 36.349 10.072 0.725 219 H ASP 24 HN ASP 24 32.455 15.496 0.774 220 HA ASP 24 HA ASP 24 30.826 14.112 2.735 221 HB2 ASP 24 HB2 ASP 24 32.975 14.401 4.016 222 HB3 ASP 24 HB1 ASP 24 32.786 16.162 3.836 223 H HIS 25 HN HIS 25 32.206 17.387 2.161 224 HA HIS 25 HA HIS 25 31.127 19.429 1.904 225 HB2 HIS 25 HB2 HIS 25 30.548 18.332 -0.253 226 HB3 HIS 25 HB1 HIS 25 29.056 17.705 0.488 227 HD1 HIS 25 HD1 HIS 25 27.217 19.072 -0.541 228 HD2 HIS 25 HD2 HIS 25 30.417 21.440 0.816 229 HE1 HIS 25 HE1 HIS 25 26.536 21.517 -0.838 230 H LEU 26 HN LEU 26 30.786 18.711 4.407 231 HA LEU 26 HA LEU 26 29.392 18.879 6.256 232 HB2 LEU 26 HB2 LEU 26 28.028 20.689 4.236 233 HB3 LEU 26 HB1 LEU 26 27.366 20.478 5.873 234 HG LEU 26 HG LEU 26 29.481 21.237 6.864 235 HD11 LEU 26 HD11 LEU 26 31.210 22.239 5.211 236 HD12 LEU 26 HD12 LEU 26 30.389 21.275 3.959 237 HD13 LEU 26 HD13 LEU 26 31.154 20.467 5.349 238 HD21 LEU 26 HD21 LEU 26 27.780 22.928 6.240 239 HD22 LEU 26 HD22 LEU 26 28.515 23.073 4.624 240 HD23 LEU 26 HD23 LEU 26 29.425 23.585 6.066 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 54.293 1.132 5.231 2 H2 GLY 1 HT2 GLY 1 55.873 1.663 5.563 3 H3 GLY 1 HT3 GLY 1 55.607 0.094 4.968 4 HA2 GLY 1 HA1 GLY 1 55.709 0.759 2.920 5 HA3 GLY 1 HA2 GLY 1 54.436 1.952 3.243 6 H ARG 2 HN ARG 2 57.661 1.704 4.742 7 HA ARG 2 HA ARG 2 58.146 4.540 4.225 8 HB2 ARG 2 HB2 ARG 2 60.105 2.429 5.208 9 HB3 ARG 2 HB1 ARG 2 60.215 4.193 5.422 10 HG2 ARG 2 HG2 ARG 2 58.094 4.141 6.741 11 HG3 ARG 2 HG1 ARG 2 58.060 2.369 6.576 12 HD2 ARG 2 HD2 ARG 2 60.263 4.004 7.909 13 HD3 ARG 2 HD1 ARG 2 59.050 3.004 8.743 14 HE ARG 2 HE ARG 2 61.485 2.015 7.642 15 HH11 ARG 2 HH11 ARG 2 60.571 0.502 5.632 16 HH12 ARG 2 HH12 ARG 2 59.667 -0.817 6.298 17 HH21 ARG 2 HH21 ARG 2 59.247 0.688 9.394 18 HH22 ARG 2 HH22 ARG 2 58.918 -0.711 8.428 19 H ARG 3 HN ARG 3 57.704 2.994 1.828 20 HA ARG 3 HA ARG 3 60.315 2.526 0.579 21 HB2 ARG 3 HB2 ARG 3 57.485 2.668 -0.532 22 HB3 ARG 3 HB1 ARG 3 58.921 2.253 -1.498 23 HG2 ARG 3 HG2 ARG 3 59.364 0.300 -0.142 24 HG3 ARG 3 HG1 ARG 3 58.121 0.773 1.042 25 HD2 ARG 3 HD2 ARG 3 56.348 0.426 -0.572 26 HD3 ARG 3 HD1 ARG 3 57.525 0.183 -1.887 27 HE ARG 3 HE ARG 3 56.645 -1.847 -0.046 28 HH11 ARG 3 HH11 ARG 3 58.398 -1.588 -2.753 29 HH12 ARG 3 HH12 ARG 3 59.689 -2.651 -2.300 30 HH21 ARG 3 HH21 ARG 3 58.755 -2.795 1.036 31 HH22 ARG 3 HH22 ARG 3 59.890 -3.335 -0.156 32 H LYS 4 HN LYS 4 57.991 5.156 0.843 33 HA LYS 4 HA LYS 4 59.931 6.949 -0.559 34 HB2 LYS 4 HB2 LYS 4 56.969 6.963 -1.244 35 HB3 LYS 4 HB1 LYS 4 58.283 7.871 -2.031 36 HG2 LYS 4 HG2 LYS 4 59.324 5.636 -2.654 37 HG3 LYS 4 HG1 LYS 4 57.830 4.860 -2.076 38 HD2 LYS 4 HD2 LYS 4 56.546 6.381 -3.665 39 HD3 LYS 4 HD1 LYS 4 58.117 6.867 -4.348 40 HE2 LYS 4 HE2 LYS 4 57.265 5.065 -5.720 41 HE3 LYS 4 HE1 LYS 4 58.600 4.404 -4.745 42 HZ1 LYS 4 HZ1 LYS 4 55.822 4.271 -3.752 43 HZ2 LYS 4 HZ2 LYS 4 57.148 3.284 -3.366 44 HZ3 LYS 4 HZ3 LYS 4 56.377 3.126 -4.871 45 H ARG 5 HN ARG 5 58.848 6.377 2.228 46 HA ARG 5 HA ARG 5 58.228 7.627 4.076 47 HB2 ARG 5 HB2 ARG 5 60.143 9.037 3.127 48 HB3 ARG 5 HB1 ARG 5 58.896 10.073 2.402 49 HG2 ARG 5 HG2 ARG 5 59.213 11.191 4.433 50 HG3 ARG 5 HG1 ARG 5 57.907 10.082 4.900 51 HD2 ARG 5 HD2 ARG 5 59.629 9.988 6.611 52 HD3 ARG 5 HD1 ARG 5 59.687 8.459 5.706 53 HE ARG 5 HE ARG 5 61.860 9.057 5.022 54 HH11 ARG 5 HH11 ARG 5 60.717 11.493 7.004 55 HH12 ARG 5 HH12 ARG 5 61.733 12.741 6.365 56 HH21 ARG 5 HH21 ARG 5 62.898 10.812 3.730 57 HH22 ARG 5 HH22 ARG 5 62.969 12.356 4.512 58 H LYS 6 HN LYS 6 56.021 6.795 3.196 59 HA LYS 6 HA LYS 6 53.773 7.225 2.764 60 HB2 LYS 6 HB2 LYS 6 54.230 9.869 4.186 61 HB3 LYS 6 HB1 LYS 6 52.776 8.844 4.191 62 HG2 LYS 6 HG2 LYS 6 55.473 8.131 5.431 63 HG3 LYS 6 HG1 LYS 6 54.009 8.617 6.316 64 HD2 LYS 6 HD2 LYS 6 52.841 6.623 5.157 65 HD3 LYS 6 HD1 LYS 6 54.473 6.081 4.698 66 HE2 LYS 6 HE2 LYS 6 53.793 4.998 6.797 67 HE3 LYS 6 HE1 LYS 6 55.142 6.118 7.100 68 HZ1 LYS 6 HZ1 LYS 6 53.123 6.198 8.651 69 HZ2 LYS 6 HZ2 LYS 6 52.328 6.997 7.381 70 HZ3 LYS 6 HZ3 LYS 6 53.730 7.670 8.066 71 H TRP 7 HN TRP 7 54.009 7.421 0.481 72 HA TRP 7 HA TRP 7 53.031 9.972 -0.512 73 HB2 TRP 7 HB2 TRP 7 55.481 10.465 -0.263 74 HB3 TRP 7 HB1 TRP 7 55.821 9.138 -1.401 75 HD1 TRP 7 HD1 TRP 7 54.990 9.445 -3.928 76 HE1 TRP 7 HE1 TRP 7 54.481 11.559 -5.355 77 HE3 TRP 7 HE3 TRP 7 54.574 12.882 -0.158 78 HZ2 TRP 7 HZ2 TRP 7 53.967 14.354 -4.890 79 HZ3 TRP 7 HZ3 TRP 7 54.074 15.266 -0.672 80 HH2 TRP 7 HH2 TRP 7 53.772 16.005 -3.031 81 H LEU 8 HN LEU 8 54.001 6.673 -0.826 82 HA LEU 8 HA LEU 8 53.713 6.210 -3.580 83 HB2 LEU 8 HB2 LEU 8 53.094 3.907 -2.988 84 HB3 LEU 8 HB1 LEU 8 54.445 4.482 -1.994 85 HG LEU 8 HG LEU 8 51.523 4.508 -1.085 86 HD11 LEU 8 HD11 LEU 8 52.126 2.516 0.250 87 HD12 LEU 8 HD12 LEU 8 53.754 2.522 -0.469 88 HD13 LEU 8 HD13 LEU 8 52.331 2.205 -1.490 89 HD21 LEU 8 HD21 LEU 8 52.629 6.057 0.315 90 HD22 LEU 8 HD22 LEU 8 54.185 5.199 0.217 91 HD23 LEU 8 HD23 LEU 8 52.868 4.548 1.217 92 H ARG 9 HN ARG 9 51.406 7.493 -1.469 93 HA ARG 9 HA ARG 9 49.214 8.132 -1.877 94 HB2 ARG 9 HB2 ARG 9 50.209 8.136 -4.374 95 HB3 ARG 9 HB1 ARG 9 49.119 6.748 -4.565 96 HG2 ARG 9 HG2 ARG 9 47.671 8.500 -5.142 97 HG3 ARG 9 HG1 ARG 9 47.344 8.381 -3.398 98 HD2 ARG 9 HD2 ARG 9 47.685 10.699 -3.749 99 HD3 ARG 9 HD1 ARG 9 49.261 10.140 -3.137 100 HE ARG 9 HE ARG 9 49.454 9.909 -5.912 101 HH11 ARG 9 HH11 ARG 9 51.355 11.543 -5.923 102 HH12 ARG 9 HH12 ARG 9 50.818 13.189 -5.890 103 HH21 ARG 9 HH21 ARG 9 47.596 12.397 -4.883 104 HH22 ARG 9 HH22 ARG 9 48.690 13.673 -5.302 105 H ARG 10 HN ARG 10 49.973 5.646 -0.604 106 HA ARG 10 HA ARG 10 48.467 3.406 -1.393 107 HB2 ARG 10 HB2 ARG 10 48.245 3.155 1.288 108 HB3 ARG 10 HB1 ARG 10 49.798 2.928 0.454 109 HG2 ARG 10 HG2 ARG 10 50.566 5.108 1.027 110 HG3 ARG 10 HG1 ARG 10 48.940 5.657 1.492 111 HD2 ARG 10 HD2 ARG 10 50.538 3.490 2.926 112 HD3 ARG 10 HD1 ARG 10 50.371 5.174 3.478 113 HE ARG 10 HE ARG 10 47.748 4.275 3.165 114 HH11 ARG 10 HH11 ARG 10 47.828 4.913 5.760 115 HH12 ARG 10 HH12 ARG 10 48.155 3.479 6.675 116 HH21 ARG 10 HH21 ARG 10 49.357 1.696 3.954 117 HH22 ARG 10 HH22 ARG 10 49.021 1.659 5.652 118 H ILE 11 HN ILE 11 47.275 5.010 1.514 119 HA ILE 11 HA ILE 11 44.506 4.658 0.547 120 HB ILE 11 HB ILE 11 45.105 4.122 2.901 121 HG12 ILE 11 HG12 ILE 11 43.270 6.563 2.742 122 HG13 ILE 11 HG11 ILE 11 42.795 4.932 2.217 123 HG21 ILE 11 HG21 ILE 11 46.849 5.995 3.027 124 HG22 ILE 11 HG22 ILE 11 45.802 5.817 4.455 125 HG23 ILE 11 HG23 ILE 11 45.493 7.120 3.281 126 HD11 ILE 11 HD1 ILE 11 41.995 5.135 4.455 127 HD12 ILE 11 HD2 ILE 11 43.511 5.875 5.016 128 HD13 ILE 11 HD3 ILE 11 43.470 4.149 4.583 129 H GLY 12 HN GLY 12 46.920 7.149 0.714 130 HA2 GLY 12 HA1 GLY 12 45.366 9.474 0.974 131 HA3 GLY 12 HA2 GLY 12 46.844 9.354 -0.005 132 H LYS 13 HN LYS 13 45.976 7.492 -1.932 133 HA LYS 13 HA LYS 13 44.847 9.100 -3.911 134 HB2 LYS 13 HB2 LYS 13 45.804 6.880 -4.362 135 HB3 LYS 13 HB1 LYS 13 44.454 6.107 -3.500 136 HG2 LYS 13 HG2 LYS 13 42.863 6.819 -5.148 137 HG3 LYS 13 HG1 LYS 13 44.027 7.939 -5.893 138 HD2 LYS 13 HD2 LYS 13 43.732 5.822 -7.208 139 HD3 LYS 13 HD1 LYS 13 45.406 6.071 -6.660 140 HE2 LYS 13 HE2 LYS 13 45.223 4.420 -4.963 141 HE3 LYS 13 HE1 LYS 13 43.442 4.431 -5.016 142 HZ1 LYS 13 HZ1 LYS 13 43.550 2.795 -6.487 143 HZ2 LYS 13 HZ2 LYS 13 45.248 2.854 -6.506 144 HZ3 LYS 13 HZ3 LYS 13 44.349 3.818 -7.578 145 H GLY 14 HN GLY 14 43.324 7.828 -1.111 146 HA2 GLY 14 HA1 GLY 14 40.580 8.175 -2.247 147 HA3 GLY 14 HA2 GLY 14 41.004 7.365 -0.728 148 H VAL 15 HN VAL 15 42.685 9.312 0.450 149 HA VAL 15 HA VAL 15 40.614 11.431 1.028 150 HB VAL 15 HB VAL 15 41.947 11.766 3.157 151 HG11 VAL 15 HG11 VAL 15 41.016 9.775 4.249 152 HG12 VAL 15 HG12 VAL 15 40.877 8.949 2.678 153 HG13 VAL 15 HG13 VAL 15 39.873 10.378 3.025 154 HG21 VAL 15 HG21 VAL 15 43.442 9.850 3.807 155 HG22 VAL 15 HG22 VAL 15 44.090 10.812 2.459 156 HG23 VAL 15 HG23 VAL 15 43.323 9.238 2.143 157 H LYS 16 HN LYS 16 44.102 10.924 0.384 158 HA LYS 16 HA LYS 16 44.933 13.610 0.660 159 HB2 LYS 16 HB2 LYS 16 46.462 11.683 0.306 160 HB3 LYS 16 HB1 LYS 16 45.918 11.582 -1.386 161 HG2 LYS 16 HG2 LYS 16 46.791 13.777 -1.884 162 HG3 LYS 16 HG1 LYS 16 47.104 14.108 -0.163 163 HD2 LYS 16 HD2 LYS 16 48.783 12.303 -0.103 164 HD3 LYS 16 HD1 LYS 16 48.450 11.923 -1.809 165 HE2 LYS 16 HE2 LYS 16 50.419 13.318 -1.777 166 HE3 LYS 16 HE1 LYS 16 49.075 14.332 -2.359 167 HZ1 LYS 16 HZ1 LYS 16 50.727 14.874 -0.240 168 HZ2 LYS 16 HZ2 LYS 16 49.285 14.356 0.494 169 HZ3 LYS 16 HZ3 LYS 16 49.267 15.656 -0.599 170 H ILE 17 HN ILE 17 43.770 11.921 -2.298 171 HA ILE 17 HA ILE 17 43.833 14.384 -3.854 172 HB ILE 17 HB ILE 17 44.000 11.905 -4.690 173 HG12 ILE 17 HG12 ILE 17 42.545 12.637 -6.833 174 HG13 ILE 17 HG11 ILE 17 42.502 14.201 -5.995 175 HG21 ILE 17 HG21 ILE 17 41.791 11.310 -3.525 176 HG22 ILE 17 HG22 ILE 17 41.982 10.752 -5.205 177 HG23 ILE 17 HG23 ILE 17 40.979 12.177 -4.850 178 HD11 ILE 17 HD1 ILE 17 44.912 12.662 -7.012 179 HD12 ILE 17 HD2 ILE 17 45.085 13.933 -5.781 180 HD13 ILE 17 HD3 ILE 17 44.423 14.331 -7.383 181 H ILE 18 HN ILE 18 42.120 13.980 -1.269 182 HA ILE 18 HA ILE 18 40.073 14.757 -0.509 183 HB ILE 18 HB ILE 18 39.887 16.281 -3.142 184 HG12 ILE 18 HG12 ILE 18 42.080 16.790 -2.344 185 HG13 ILE 18 HG11 ILE 18 41.068 18.145 -1.812 186 HG21 ILE 18 HG21 ILE 18 38.778 17.976 -1.514 187 HG22 ILE 18 HG22 ILE 18 38.672 16.616 -0.374 188 HG23 ILE 18 HG23 ILE 18 37.858 16.521 -1.947 189 HD11 ILE 18 HD1 ILE 18 42.422 17.570 0.072 190 HD12 ILE 18 HD2 ILE 18 42.141 15.830 -0.154 191 HD13 ILE 18 HD3 ILE 18 40.827 16.877 0.429 192 H GLY 19 HN GLY 19 38.743 13.023 -0.432 193 HA2 GLY 19 HA1 GLY 19 37.624 11.832 -2.840 194 HA3 GLY 19 HA2 GLY 19 37.195 11.449 -1.161 195 H GLY 20 HN GLY 20 36.494 13.405 -3.980 196 HA2 GLY 20 HA1 GLY 20 34.602 15.194 -2.861 197 HA3 GLY 20 HA2 GLY 20 34.603 14.615 -4.540 198 H ALA 21 HN ALA 21 32.268 14.725 -4.412 199 HA ALA 21 HA ALA 21 30.172 13.796 -4.033 200 HB1 ALA 21 HB1 ALA 21 31.685 11.182 -3.760 201 HB2 ALA 21 HB2 ALA 21 31.384 11.982 -5.322 202 HB3 ALA 21 HB3 ALA 21 30.016 11.426 -4.327 203 H ALA 22 HN ALA 22 32.162 14.371 -1.689 204 HA ALA 22 HA ALA 22 30.271 13.805 0.411 205 HB1 ALA 22 HB1 ALA 22 32.742 12.051 0.239 206 HB2 ALA 22 HB2 ALA 22 31.040 11.532 0.291 207 HB3 ALA 22 HB3 ALA 22 31.790 12.272 1.725 208 H LEU 23 HN LEU 23 33.848 13.931 0.027 209 HA LEU 23 HA LEU 23 34.015 15.941 2.186 210 HB2 LEU 23 HB2 LEU 23 35.688 13.942 1.409 211 HB3 LEU 23 HB1 LEU 23 36.402 15.264 0.467 212 HG LEU 23 HG LEU 23 35.889 15.319 3.481 213 HD11 LEU 23 HD11 LEU 23 37.682 13.759 2.934 214 HD12 LEU 23 HD12 LEU 23 38.400 15.251 3.590 215 HD13 LEU 23 HD13 LEU 23 38.428 14.945 1.837 216 HD21 LEU 23 HD21 LEU 23 37.297 17.261 1.591 217 HD22 LEU 23 HD22 LEU 23 37.318 17.378 3.366 218 HD23 LEU 23 HD23 LEU 23 35.785 17.562 2.481 219 H ASP 24 HN ASP 24 32.412 16.875 0.139 220 HA ASP 24 HA ASP 24 33.836 19.318 -0.570 221 HB2 ASP 24 HB2 ASP 24 34.671 17.792 -2.349 222 HB3 ASP 24 HB1 ASP 24 32.989 17.458 -2.828 223 H HIS 25 HN HIS 25 31.270 17.914 0.577 224 HA HIS 25 HA HIS 25 29.035 18.710 -0.972 225 HB2 HIS 25 HB2 HIS 25 27.791 18.681 1.165 226 HB3 HIS 25 HB1 HIS 25 28.868 17.272 1.020 227 HD1 HIS 25 HD1 HIS 25 31.354 19.540 1.601 228 HD2 HIS 25 HD2 HIS 25 28.164 18.342 4.067 229 HE1 HIS 25 HE1 HIS 25 32.042 20.006 4.017 230 H LEU 26 HN LEU 26 27.934 20.567 -1.289 231 HA LEU 26 HA LEU 26 29.299 23.064 -0.800 232 HB2 LEU 26 HB2 LEU 26 26.531 22.304 -1.787 233 HB3 LEU 26 HB1 LEU 26 26.977 24.005 -1.531 234 HG LEU 26 HG LEU 26 28.799 23.842 -3.124 235 HD11 LEU 26 HD11 LEU 26 29.696 21.657 -2.734 236 HD12 LEU 26 HD12 LEU 26 29.078 21.617 -4.401 237 HD13 LEU 26 HD13 LEU 26 28.139 20.870 -3.086 238 HD21 LEU 26 HD21 LEU 26 27.545 23.373 -5.170 239 HD22 LEU 26 HD22 LEU 26 26.461 24.152 -3.994 240 HD23 LEU 26 HD23 LEU 26 26.366 22.396 -4.263 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 57.552 0.709 -4.294 2 H2 GLY 1 HT2 GLY 1 55.911 1.146 -4.368 3 H3 GLY 1 HT3 GLY 1 56.402 -0.411 -4.839 4 HA2 GLY 1 HA1 GLY 1 55.329 -0.308 -2.655 5 HA3 GLY 1 HA2 GLY 1 56.956 -1.019 -2.675 6 H ARG 2 HN ARG 2 58.217 1.642 -3.115 7 HA ARG 2 HA ARG 2 57.526 3.243 -0.763 8 HB2 ARG 2 HB2 ARG 2 59.804 2.908 0.306 9 HB3 ARG 2 HB1 ARG 2 58.694 1.524 0.447 10 HG2 ARG 2 HG2 ARG 2 59.789 0.389 -1.414 11 HG3 ARG 2 HG1 ARG 2 60.820 1.806 -1.720 12 HD2 ARG 2 HD2 ARG 2 60.798 0.210 0.879 13 HD3 ARG 2 HD1 ARG 2 61.997 0.011 -0.422 14 HE ARG 2 HE ARG 2 61.830 2.778 0.414 15 HH11 ARG 2 HH11 ARG 2 64.173 3.209 0.650 16 HH12 ARG 2 HH12 ARG 2 64.991 2.258 1.845 17 HH21 ARG 2 HH21 ARG 2 62.379 0.010 2.231 18 HH22 ARG 2 HH22 ARG 2 63.976 0.448 2.741 19 H ARG 3 HN ARG 3 57.899 3.513 -3.675 20 HA ARG 3 HA ARG 3 60.360 4.700 -4.381 21 HB2 ARG 3 HB2 ARG 3 57.547 5.436 -5.283 22 HB3 ARG 3 HB1 ARG 3 59.048 5.937 -6.099 23 HG2 ARG 3 HG2 ARG 3 59.654 3.486 -6.311 24 HG3 ARG 3 HG1 ARG 3 58.028 3.093 -5.704 25 HD2 ARG 3 HD2 ARG 3 57.996 3.057 -8.150 26 HD3 ARG 3 HD1 ARG 3 57.049 4.450 -7.574 27 HE ARG 3 HE ARG 3 59.774 5.251 -8.035 28 HH11 ARG 3 HH11 ARG 3 58.969 7.263 -9.266 29 HH12 ARG 3 HH12 ARG 3 58.371 6.895 -10.848 30 HH21 ARG 3 HH21 ARG 3 58.095 3.492 -10.242 31 HH22 ARG 3 HH22 ARG 3 57.876 4.759 -11.402 32 H LYS 4 HN LYS 4 58.160 5.696 -2.011 33 HA LYS 4 HA LYS 4 59.689 8.100 -1.464 34 HB2 LYS 4 HB2 LYS 4 58.198 8.809 -3.410 35 HB3 LYS 4 HB1 LYS 4 56.809 8.561 -2.326 36 HG2 LYS 4 HG2 LYS 4 58.001 10.126 -0.669 37 HG3 LYS 4 HG1 LYS 4 59.110 10.529 -2.001 38 HD2 LYS 4 HD2 LYS 4 56.074 10.830 -2.078 39 HD3 LYS 4 HD1 LYS 4 57.233 12.157 -1.842 40 HE2 LYS 4 HE2 LYS 4 58.299 11.355 -4.084 41 HE3 LYS 4 HE1 LYS 4 56.776 10.462 -4.317 42 HZ1 LYS 4 HZ1 LYS 4 57.297 13.253 -4.592 43 HZ2 LYS 4 HZ2 LYS 4 56.025 12.976 -3.500 44 HZ3 LYS 4 HZ3 LYS 4 55.942 12.356 -5.079 45 H ARG 5 HN ARG 5 59.527 6.238 0.275 46 HA ARG 5 HA ARG 5 58.683 5.536 2.331 47 HB2 ARG 5 HB2 ARG 5 57.680 8.383 2.654 48 HB3 ARG 5 HB1 ARG 5 58.329 7.284 3.894 49 HG2 ARG 5 HG2 ARG 5 59.890 8.541 1.592 50 HG3 ARG 5 HG1 ARG 5 60.017 8.970 3.313 51 HD2 ARG 5 HD2 ARG 5 60.636 6.493 3.717 52 HD3 ARG 5 HD1 ARG 5 60.857 6.385 1.954 53 HE ARG 5 HE ARG 5 62.716 7.585 3.783 54 HH11 ARG 5 HH11 ARG 5 61.462 9.868 2.095 55 HH12 ARG 5 HH12 ARG 5 62.635 9.988 0.825 56 HH21 ARG 5 HH21 ARG 5 64.127 6.944 1.556 57 HH22 ARG 5 HH22 ARG 5 64.144 8.333 0.522 58 H LYS 6 HN LYS 6 56.607 6.008 3.915 59 HA LYS 6 HA LYS 6 54.349 4.977 2.322 60 HB2 LYS 6 HB2 LYS 6 54.413 5.641 5.288 61 HB3 LYS 6 HB1 LYS 6 53.318 4.522 4.438 62 HG2 LYS 6 HG2 LYS 6 55.352 3.163 3.781 63 HG3 LYS 6 HG1 LYS 6 56.320 4.205 4.850 64 HD2 LYS 6 HD2 LYS 6 54.905 3.571 6.772 65 HD3 LYS 6 HD1 LYS 6 53.909 2.546 5.711 66 HE2 LYS 6 HE2 LYS 6 55.806 1.104 5.221 67 HE3 LYS 6 HE1 LYS 6 56.911 2.187 6.098 68 HZ1 LYS 6 HZ1 LYS 6 56.230 0.263 7.430 69 HZ2 LYS 6 HZ2 LYS 6 54.604 0.742 7.309 70 HZ3 LYS 6 HZ3 LYS 6 55.722 1.720 8.133 71 H TRP 7 HN TRP 7 54.142 6.996 1.044 72 HA TRP 7 HA TRP 7 51.975 8.595 2.118 73 HB2 TRP 7 HB2 TRP 7 53.968 9.639 3.265 74 HB3 TRP 7 HB1 TRP 7 54.599 10.064 1.656 75 HD1 TRP 7 HD1 TRP 7 51.202 10.454 3.510 76 HE1 TRP 7 HE1 TRP 7 50.242 12.819 3.011 77 HE3 TRP 7 HE3 TRP 7 54.896 12.189 0.418 78 HZ2 TRP 7 HZ2 TRP 7 51.003 15.131 1.471 79 HZ3 TRP 7 HZ3 TRP 7 54.758 14.477 -0.554 80 HH2 TRP 7 HH2 TRP 7 52.816 15.948 -0.032 81 H LEU 8 HN LEU 8 53.724 7.213 -0.300 82 HA LEU 8 HA LEU 8 53.667 8.993 -2.467 83 HB2 LEU 8 HB2 LEU 8 52.742 6.231 -3.163 84 HB3 LEU 8 HB1 LEU 8 54.137 7.153 -3.763 85 HG LEU 8 HG LEU 8 55.127 6.706 -1.332 86 HD11 LEU 8 HD11 LEU 8 53.349 4.245 -1.601 87 HD12 LEU 8 HD12 LEU 8 52.839 5.650 -0.640 88 HD13 LEU 8 HD13 LEU 8 54.319 4.765 -0.204 89 HD21 LEU 8 HD21 LEU 8 56.074 4.537 -2.155 90 HD22 LEU 8 HD22 LEU 8 56.122 5.819 -3.390 91 HD23 LEU 8 HD23 LEU 8 54.880 4.547 -3.475 92 H ARG 9 HN ARG 9 51.115 6.552 -1.790 93 HA ARG 9 HA ARG 9 48.975 8.468 -2.072 94 HB2 ARG 9 HB2 ARG 9 49.916 8.107 -4.501 95 HB3 ARG 9 HB1 ARG 9 49.119 6.524 -4.399 96 HG2 ARG 9 HG2 ARG 9 47.381 7.801 -5.314 97 HG3 ARG 9 HG1 ARG 9 47.021 7.986 -3.583 98 HD2 ARG 9 HD2 ARG 9 46.922 10.177 -4.663 99 HD3 ARG 9 HD1 ARG 9 48.339 10.133 -3.591 100 HE ARG 9 HE ARG 9 49.700 10.358 -5.506 101 HH11 ARG 9 HH11 ARG 9 46.458 10.367 -6.425 102 HH12 ARG 9 HH12 ARG 9 46.752 9.967 -8.085 103 HH21 ARG 9 HH21 ARG 9 50.132 9.358 -7.618 104 HH22 ARG 9 HH22 ARG 9 48.830 9.397 -8.760 105 H ARG 10 HN ARG 10 50.086 6.096 -0.523 106 HA ARG 10 HA ARG 10 48.490 3.805 -0.785 107 HB2 ARG 10 HB2 ARG 10 48.636 3.884 1.895 108 HB3 ARG 10 HB1 ARG 10 50.082 3.585 0.906 109 HG2 ARG 10 HG2 ARG 10 50.915 5.773 1.193 110 HG3 ARG 10 HG1 ARG 10 49.323 6.443 1.612 111 HD2 ARG 10 HD2 ARG 10 49.375 5.135 3.753 112 HD3 ARG 10 HD1 ARG 10 51.012 4.574 3.336 113 HE ARG 10 HE ARG 10 51.178 7.346 3.179 114 HH11 ARG 10 HH11 ARG 10 50.749 8.794 4.989 115 HH12 ARG 10 HH12 ARG 10 50.927 8.126 6.577 116 HH21 ARG 10 HH21 ARG 10 51.157 4.851 5.459 117 HH22 ARG 10 HH22 ARG 10 51.159 5.892 6.844 118 H ILE 11 HN ILE 11 47.707 5.847 1.993 119 HA ILE 11 HA ILE 11 44.851 5.346 1.569 120 HB ILE 11 HB ILE 11 45.761 5.405 3.869 121 HG12 ILE 11 HG12 ILE 11 44.172 6.960 4.900 122 HG13 ILE 11 HG11 ILE 11 44.005 7.862 3.381 123 HG21 ILE 11 HG21 ILE 11 47.589 7.050 3.342 124 HG22 ILE 11 HG22 ILE 11 46.687 7.446 4.823 125 HG23 ILE 11 HG23 ILE 11 46.365 8.341 3.319 126 HD11 ILE 11 HD1 ILE 11 42.181 6.069 4.014 127 HD12 ILE 11 HD2 ILE 11 43.390 4.889 3.456 128 HD13 ILE 11 HD3 ILE 11 42.776 6.134 2.340 129 H GLY 12 HN GLY 12 47.189 7.772 0.748 130 HA2 GLY 12 HA1 GLY 12 45.558 10.081 0.590 131 HA3 GLY 12 HA2 GLY 12 46.963 9.743 -0.445 132 H LYS 13 HN LYS 13 45.925 7.315 -1.569 133 HA LYS 13 HA LYS 13 44.644 8.251 -3.883 134 HB2 LYS 13 HB2 LYS 13 45.604 6.032 -3.780 135 HB3 LYS 13 HB1 LYS 13 44.486 5.553 -2.485 136 HG2 LYS 13 HG2 LYS 13 42.592 5.618 -3.975 137 HG3 LYS 13 HG1 LYS 13 43.541 6.424 -5.247 138 HD2 LYS 13 HD2 LYS 13 43.201 3.958 -5.655 139 HD3 LYS 13 HD1 LYS 13 44.913 4.433 -5.562 140 HE2 LYS 13 HE2 LYS 13 43.465 3.487 -3.063 141 HE3 LYS 13 HE1 LYS 13 44.112 2.309 -4.231 142 HZ1 LYS 13 HZ1 LYS 13 45.501 3.956 -2.344 143 HZ2 LYS 13 HZ2 LYS 13 46.127 4.127 -3.914 144 HZ3 LYS 13 HZ3 LYS 13 46.042 2.591 -3.193 145 H GLY 14 HN GLY 14 43.406 7.997 -0.705 146 HA2 GLY 14 HA1 GLY 14 40.559 7.985 -1.649 147 HA3 GLY 14 HA2 GLY 14 41.123 7.648 -0.002 148 H VAL 15 HN VAL 15 42.843 9.793 0.479 149 HA VAL 15 HA VAL 15 40.827 12.029 0.575 150 HB VAL 15 HB VAL 15 42.355 12.962 2.361 151 HG11 VAL 15 HG11 VAL 15 41.236 10.154 2.767 152 HG12 VAL 15 HG12 VAL 15 40.340 11.682 2.940 153 HG13 VAL 15 HG13 VAL 15 41.653 11.286 4.074 154 HG21 VAL 15 HG21 VAL 15 44.437 11.823 1.734 155 HG22 VAL 15 HG22 VAL 15 43.683 10.236 2.019 156 HG23 VAL 15 HG23 VAL 15 43.973 11.341 3.381 157 H LYS 16 HN LYS 16 44.206 11.272 -0.291 158 HA LYS 16 HA LYS 16 44.881 13.984 -1.018 159 HB2 LYS 16 HB2 LYS 16 46.489 12.063 -0.521 160 HB3 LYS 16 HB1 LYS 16 46.099 11.434 -2.136 161 HG2 LYS 16 HG2 LYS 16 48.000 12.723 -2.614 162 HG3 LYS 16 HG1 LYS 16 46.710 13.901 -2.938 163 HD2 LYS 16 HD2 LYS 16 47.013 14.905 -0.720 164 HD3 LYS 16 HD1 LYS 16 48.199 13.654 -0.280 165 HE2 LYS 16 HE2 LYS 16 49.611 14.421 -2.239 166 HE3 LYS 16 HE1 LYS 16 48.480 15.779 -2.445 167 HZ1 LYS 16 HZ1 LYS 16 49.124 15.711 0.244 168 HZ2 LYS 16 HZ2 LYS 16 49.648 16.843 -0.908 169 HZ3 LYS 16 HZ3 LYS 16 50.592 15.472 -0.569 170 H ILE 17 HN ILE 17 43.415 11.244 -2.718 171 HA ILE 17 HA ILE 17 43.710 12.022 -5.378 172 HB ILE 17 HB ILE 17 42.617 9.938 -4.648 173 HG12 ILE 17 HG12 ILE 17 40.897 11.688 -6.454 174 HG13 ILE 17 HG11 ILE 17 42.272 10.683 -6.951 175 HG21 ILE 17 HG21 ILE 17 40.506 9.810 -3.630 176 HG22 ILE 17 HG22 ILE 17 40.028 11.436 -4.154 177 HG23 ILE 17 HG23 ILE 17 41.209 11.238 -2.839 178 HD11 ILE 17 HD1 ILE 17 39.590 9.759 -5.847 179 HD12 ILE 17 HD2 ILE 17 41.003 8.685 -5.989 180 HD13 ILE 17 HD3 ILE 17 40.290 9.415 -7.447 181 H ILE 18 HN ILE 18 40.805 12.897 -3.397 182 HA ILE 18 HA ILE 18 40.938 15.660 -4.351 183 HB ILE 18 HB ILE 18 38.585 15.670 -5.274 184 HG12 ILE 18 HG12 ILE 18 38.897 12.684 -5.773 185 HG13 ILE 18 HG11 ILE 18 38.162 13.256 -4.265 186 HG21 ILE 18 HG21 ILE 18 40.494 13.949 -6.911 187 HG22 ILE 18 HG22 ILE 18 40.683 15.700 -6.690 188 HG23 ILE 18 HG23 ILE 18 39.245 15.059 -7.512 189 HD11 ILE 18 HD1 ILE 18 36.518 14.581 -5.606 190 HD12 ILE 18 HD2 ILE 18 36.418 12.835 -5.932 191 HD13 ILE 18 HD3 ILE 18 37.228 13.909 -7.094 192 H GLY 19 HN GLY 19 41.099 14.365 -1.840 193 HA2 GLY 19 HA1 GLY 19 38.524 14.492 -0.505 194 HA3 GLY 19 HA2 GLY 19 40.117 14.360 0.266 195 H GLY 20 HN GLY 20 39.598 16.920 -2.025 196 HA2 GLY 20 HA1 GLY 20 39.150 19.190 -1.720 197 HA3 GLY 20 HA2 GLY 20 38.706 18.874 -0.031 198 H ALA 21 HN ALA 21 41.449 17.346 0.033 199 HA ALA 21 HA ALA 21 42.894 19.518 1.268 200 HB1 ALA 21 HB1 ALA 21 43.173 17.175 1.951 201 HB2 ALA 21 HB2 ALA 21 44.728 17.877 1.445 202 HB3 ALA 21 HB3 ALA 21 43.848 16.781 0.352 203 H ALA 22 HN ALA 22 43.796 17.512 -1.581 204 HA ALA 22 HA ALA 22 45.744 19.479 -2.464 205 HB1 ALA 22 HB1 ALA 22 44.501 17.073 -3.836 206 HB2 ALA 22 HB2 ALA 22 46.063 17.137 -2.984 207 HB3 ALA 22 HB3 ALA 22 45.841 18.035 -4.505 208 H LEU 23 HN LEU 23 42.381 18.693 -3.263 209 HA LEU 23 HA LEU 23 42.298 20.511 -5.550 210 HB2 LEU 23 HB2 LEU 23 40.828 18.464 -5.239 211 HB3 LEU 23 HB1 LEU 23 39.986 19.350 -3.950 212 HG LEU 23 HG LEU 23 39.540 21.205 -5.662 213 HD11 LEU 23 HD11 LEU 23 41.036 20.836 -7.460 214 HD12 LEU 23 HD12 LEU 23 39.509 20.198 -8.097 215 HD13 LEU 23 HD13 LEU 23 40.745 19.081 -7.477 216 HD21 LEU 23 HD21 LEU 23 37.835 19.549 -4.943 217 HD22 LEU 23 HD22 LEU 23 38.383 18.436 -6.218 218 HD23 LEU 23 HD23 LEU 23 37.629 19.987 -6.655 219 H ASP 24 HN ASP 24 43.345 22.260 -4.143 220 HA ASP 24 HA ASP 24 41.271 24.191 -3.502 221 HB2 ASP 24 HB2 ASP 24 41.190 22.872 -1.416 222 HB3 ASP 24 HB1 ASP 24 42.943 23.101 -1.201 223 H HIS 25 HN HIS 25 44.455 23.163 -4.110 224 HA HIS 25 HA HIS 25 46.022 25.366 -3.279 225 HB2 HIS 25 HB2 HIS 25 47.568 24.718 -5.081 226 HB3 HIS 25 HB1 HIS 25 46.945 23.278 -4.242 227 HD1 HIS 25 HD1 HIS 25 44.059 23.411 -5.681 228 HD2 HIS 25 HD2 HIS 25 47.807 23.417 -7.593 229 HE1 HIS 25 HE1 HIS 25 43.701 22.555 -8.061 230 H LEU 26 HN LEU 26 46.467 27.373 -4.058 231 HA LEU 26 HA LEU 26 44.469 28.571 -5.805 232 HB2 LEU 26 HB2 LEU 26 47.021 29.550 -4.491 233 HB3 LEU 26 HB1 LEU 26 46.117 30.581 -5.613 234 HG LEU 26 HG LEU 26 45.588 30.873 -3.123 235 HD11 LEU 26 HD11 LEU 26 44.036 31.471 -5.130 236 HD12 LEU 26 HD12 LEU 26 43.312 31.372 -3.513 237 HD13 LEU 26 HD13 LEU 26 43.100 30.036 -4.659 238 HD21 LEU 26 HD21 LEU 26 44.224 29.236 -2.001 239 HD22 LEU 26 HD22 LEU 26 45.634 28.375 -2.660 240 HD23 LEU 26 HD23 LEU 26 44.057 28.260 -3.478 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 59.386 -2.914 3.234 2 H2 GLY 1 HT2 GLY 1 58.489 -2.580 1.830 3 H3 GLY 1 HT3 GLY 1 58.338 -1.583 3.198 4 HA2 GLY 1 HA1 GLY 1 60.832 -1.229 2.921 5 HA3 GLY 1 HA2 GLY 1 60.521 -1.800 1.270 6 H ARG 2 HN ARG 2 60.325 0.813 3.496 7 HA ARG 2 HA ARG 2 58.334 2.471 2.489 8 HB2 ARG 2 HB2 ARG 2 60.047 4.386 3.009 9 HB3 ARG 2 HB1 ARG 2 59.533 3.314 4.333 10 HG2 ARG 2 HG2 ARG 2 61.563 1.965 4.092 11 HG3 ARG 2 HG1 ARG 2 62.067 2.917 2.678 12 HD2 ARG 2 HD2 ARG 2 63.280 3.773 4.582 13 HD3 ARG 2 HD1 ARG 2 62.029 4.973 4.175 14 HE ARG 2 HE ARG 2 60.794 3.357 6.060 15 HH11 ARG 2 HH11 ARG 2 60.608 5.182 7.724 16 HH12 ARG 2 HH12 ARG 2 62.072 5.460 8.608 17 HH21 ARG 2 HH21 ARG 2 64.058 3.670 6.399 18 HH22 ARG 2 HH22 ARG 2 64.025 4.605 7.857 19 H ARG 3 HN ARG 3 57.908 2.311 0.317 20 HA ARG 3 HA ARG 3 59.931 2.538 -1.719 21 HB2 ARG 3 HB2 ARG 3 56.935 3.070 -1.839 22 HB3 ARG 3 HB1 ARG 3 58.007 2.894 -3.250 23 HG2 ARG 3 HG2 ARG 3 58.673 0.612 -2.326 24 HG3 ARG 3 HG1 ARG 3 57.359 0.796 -1.138 25 HD2 ARG 3 HD2 ARG 3 55.717 1.035 -2.963 26 HD3 ARG 3 HD1 ARG 3 57.020 0.906 -4.169 27 HE ARG 3 HE ARG 3 57.059 -1.386 -2.420 28 HH11 ARG 3 HH11 ARG 3 57.466 -1.983 -5.160 29 HH12 ARG 3 HH12 ARG 3 55.935 -2.554 -5.735 30 HH21 ARG 3 HH21 ARG 3 54.146 -1.224 -3.080 31 HH22 ARG 3 HH22 ARG 3 54.055 -2.123 -4.557 32 H LYS 4 HN LYS 4 58.023 4.875 0.105 33 HA LYS 4 HA LYS 4 59.769 7.034 -0.782 34 HB2 LYS 4 HB2 LYS 4 58.131 6.769 -2.717 35 HB3 LYS 4 HB1 LYS 4 56.846 7.257 -1.588 36 HG2 LYS 4 HG2 LYS 4 58.170 9.350 -1.089 37 HG3 LYS 4 HG1 LYS 4 59.304 8.879 -2.377 38 HD2 LYS 4 HD2 LYS 4 57.518 8.940 -4.042 39 HD3 LYS 4 HD1 LYS 4 56.305 9.259 -2.778 40 HE2 LYS 4 HE2 LYS 4 57.278 11.418 -2.281 41 HE3 LYS 4 HE1 LYS 4 58.680 11.085 -3.326 42 HZ1 LYS 4 HZ1 LYS 4 56.224 12.217 -4.041 43 HZ2 LYS 4 HZ2 LYS 4 56.325 10.708 -4.814 44 HZ3 LYS 4 HZ3 LYS 4 57.547 11.867 -5.043 45 H ARG 5 HN ARG 5 59.762 6.490 1.666 46 HA ARG 5 HA ARG 5 59.158 7.102 3.824 47 HB2 ARG 5 HB2 ARG 5 58.049 9.664 2.633 48 HB3 ARG 5 HB1 ARG 5 58.910 9.427 4.172 49 HG2 ARG 5 HG2 ARG 5 60.095 9.194 1.370 50 HG3 ARG 5 HG1 ARG 5 60.414 10.482 2.553 51 HD2 ARG 5 HD2 ARG 5 61.204 7.549 2.721 52 HD3 ARG 5 HD1 ARG 5 62.267 8.975 2.722 53 HE ARG 5 HE ARG 5 60.547 9.218 4.962 54 HH11 ARG 5 HH11 ARG 5 63.687 8.746 4.452 55 HH12 ARG 5 HH12 ARG 5 63.959 7.555 5.680 56 HH21 ARG 5 HH21 ARG 5 60.587 6.980 6.244 57 HH22 ARG 5 HH22 ARG 5 62.204 6.555 6.693 58 H LYS 6 HN LYS 6 57.045 5.933 1.877 59 HA LYS 6 HA LYS 6 54.797 5.367 1.998 60 HB2 LYS 6 HB2 LYS 6 54.981 6.232 4.907 61 HB3 LYS 6 HB1 LYS 6 53.853 5.056 4.191 62 HG2 LYS 6 HG2 LYS 6 55.807 3.620 3.562 63 HG3 LYS 6 HG1 LYS 6 56.882 4.768 4.397 64 HD2 LYS 6 HD2 LYS 6 55.470 4.409 6.487 65 HD3 LYS 6 HD1 LYS 6 54.660 3.081 5.621 66 HE2 LYS 6 HE2 LYS 6 57.642 3.301 6.228 67 HE3 LYS 6 HE1 LYS 6 56.488 2.167 6.970 68 HZ1 LYS 6 HZ1 LYS 6 56.111 1.719 4.345 69 HZ2 LYS 6 HZ2 LYS 6 57.154 0.812 5.333 70 HZ3 LYS 6 HZ3 LYS 6 57.769 2.073 4.374 71 H TRP 7 HN TRP 7 54.390 7.236 0.591 72 HA TRP 7 HA TRP 7 52.271 8.878 1.702 73 HB2 TRP 7 HB2 TRP 7 54.208 10.122 2.605 74 HB3 TRP 7 HB1 TRP 7 54.872 10.275 0.961 75 HD1 TRP 7 HD1 TRP 7 51.398 10.962 2.572 76 HE1 TRP 7 HE1 TRP 7 50.521 13.256 1.719 77 HE3 TRP 7 HE3 TRP 7 55.316 12.248 -0.462 78 HZ2 TRP 7 HZ2 TRP 7 51.425 15.345 -0.045 79 HZ3 TRP 7 HZ3 TRP 7 55.288 14.395 -1.721 80 HH2 TRP 7 HH2 TRP 7 53.348 15.943 -1.515 81 H LEU 8 HN LEU 8 53.689 7.231 -0.712 82 HA LEU 8 HA LEU 8 53.441 8.837 -3.028 83 HB2 LEU 8 HB2 LEU 8 52.832 6.532 -4.138 84 HB3 LEU 8 HB1 LEU 8 54.439 6.753 -3.418 85 HG LEU 8 HG LEU 8 52.371 5.765 -1.485 86 HD11 LEU 8 HD11 LEU 8 52.587 3.390 -2.376 87 HD12 LEU 8 HD12 LEU 8 53.192 4.102 -3.891 88 HD13 LEU 8 HD13 LEU 8 51.546 4.476 -3.326 89 HD21 LEU 8 HD21 LEU 8 55.072 4.570 -2.225 90 HD22 LEU 8 HD22 LEU 8 54.177 4.401 -0.695 91 HD23 LEU 8 HD23 LEU 8 54.909 5.964 -1.131 92 H ARG 9 HN ARG 9 51.092 6.208 -2.668 93 HA ARG 9 HA ARG 9 48.830 8.163 -2.809 94 HB2 ARG 9 HB2 ARG 9 49.513 5.988 -4.817 95 HB3 ARG 9 HB1 ARG 9 47.839 6.551 -4.610 96 HG2 ARG 9 HG2 ARG 9 50.032 8.612 -5.022 97 HG3 ARG 9 HG1 ARG 9 49.451 7.689 -6.421 98 HD2 ARG 9 HD2 ARG 9 47.560 9.143 -4.527 99 HD3 ARG 9 HD1 ARG 9 48.252 9.907 -5.977 100 HE ARG 9 HE ARG 9 46.991 7.340 -6.559 101 HH11 ARG 9 HH11 ARG 9 46.332 8.543 -8.750 102 HH12 ARG 9 HH12 ARG 9 44.962 9.572 -8.497 103 HH21 ARG 9 HH21 ARG 9 45.295 9.607 -5.045 104 HH22 ARG 9 HH22 ARG 9 44.375 10.174 -6.399 105 H ARG 10 HN ARG 10 50.223 5.812 -1.112 106 HA ARG 10 HA ARG 10 48.522 3.658 -0.789 107 HB2 ARG 10 HB2 ARG 10 49.021 4.086 1.824 108 HB3 ARG 10 HB1 ARG 10 50.301 3.571 0.702 109 HG2 ARG 10 HG2 ARG 10 51.204 5.755 0.525 110 HG3 ARG 10 HG1 ARG 10 49.744 6.525 1.172 111 HD2 ARG 10 HD2 ARG 10 51.612 4.693 2.743 112 HD3 ARG 10 HD1 ARG 10 51.595 6.470 2.842 113 HE ARG 10 HE ARG 10 48.968 5.346 3.360 114 HH11 ARG 10 HH11 ARG 10 48.232 5.507 5.492 115 HH12 ARG 10 HH12 ARG 10 49.370 5.782 6.769 116 HH21 ARG 10 HH21 ARG 10 52.116 5.896 4.655 117 HH22 ARG 10 HH22 ARG 10 51.568 6.003 6.294 118 H ILE 11 HN ILE 11 48.143 6.146 1.715 119 HA ILE 11 HA ILE 11 45.224 5.664 1.694 120 HB ILE 11 HB ILE 11 46.388 5.743 3.870 121 HG12 ILE 11 HG12 ILE 11 45.001 7.384 5.029 122 HG13 ILE 11 HG11 ILE 11 44.733 8.292 3.528 123 HG21 ILE 11 HG21 ILE 11 47.100 8.610 3.112 124 HG22 ILE 11 HG22 ILE 11 48.239 7.245 3.144 125 HG23 ILE 11 HG23 ILE 11 47.477 7.802 4.652 126 HD11 ILE 11 HD1 ILE 11 42.873 6.627 4.361 127 HD12 ILE 11 HD2 ILE 11 43.940 5.364 3.703 128 HD13 ILE 11 HD3 ILE 11 43.298 6.636 2.635 129 H GLY 12 HN GLY 12 47.520 7.893 0.400 130 HA2 GLY 12 HA1 GLY 12 46.049 10.311 0.426 131 HA3 GLY 12 HA2 GLY 12 47.202 9.826 -0.838 132 H LYS 13 HN LYS 13 45.882 7.529 -1.784 133 HA LYS 13 HA LYS 13 44.187 8.564 -3.762 134 HB2 LYS 13 HB2 LYS 13 45.138 6.300 -3.830 135 HB3 LYS 13 HB1 LYS 13 44.119 5.818 -2.452 136 HG2 LYS 13 HG2 LYS 13 42.101 6.073 -3.734 137 HG3 LYS 13 HG1 LYS 13 42.966 6.895 -5.055 138 HD2 LYS 13 HD2 LYS 13 42.453 4.496 -5.580 139 HD3 LYS 13 HD1 LYS 13 44.198 4.843 -5.581 140 HE2 LYS 13 HE2 LYS 13 44.541 3.752 -3.503 141 HE3 LYS 13 HE1 LYS 13 42.815 3.823 -3.073 142 HZ1 LYS 13 HZ1 LYS 13 44.201 1.795 -4.449 143 HZ2 LYS 13 HZ2 LYS 13 43.037 2.453 -5.497 144 HZ3 LYS 13 HZ3 LYS 13 42.570 1.835 -3.985 145 H GLY 14 HN GLY 14 43.601 8.170 -0.413 146 HA2 GLY 14 HA1 GLY 14 40.634 8.170 -0.739 147 HA3 GLY 14 HA2 GLY 14 41.541 7.907 0.761 148 H VAL 15 HN VAL 15 43.320 10.154 0.587 149 HA VAL 15 HA VAL 15 41.308 12.375 1.018 150 HB VAL 15 HB VAL 15 43.030 13.335 2.577 151 HG11 VAL 15 HG11 VAL 15 41.996 10.529 3.181 152 HG12 VAL 15 HG12 VAL 15 41.122 12.058 3.442 153 HG13 VAL 15 HG13 VAL 15 42.574 11.687 4.402 154 HG21 VAL 15 HG21 VAL 15 45.052 12.253 1.782 155 HG22 VAL 15 HG22 VAL 15 44.351 10.638 2.044 156 HG23 VAL 15 HG23 VAL 15 44.749 11.670 3.436 157 H LYS 16 HN LYS 16 44.607 11.604 -0.166 158 HA LYS 16 HA LYS 16 45.389 14.183 -0.949 159 HB2 LYS 16 HB2 LYS 16 46.807 12.142 -1.095 160 HB3 LYS 16 HB1 LYS 16 45.862 11.611 -2.507 161 HG2 LYS 16 HG2 LYS 16 46.561 13.521 -3.800 162 HG3 LYS 16 HG1 LYS 16 47.283 14.302 -2.373 163 HD2 LYS 16 HD2 LYS 16 48.938 12.474 -2.196 164 HD3 LYS 16 HD1 LYS 16 48.214 11.673 -3.610 165 HE2 LYS 16 HE2 LYS 16 50.114 12.902 -4.427 166 HE3 LYS 16 HE1 LYS 16 48.672 13.826 -4.913 167 HZ1 LYS 16 HZ1 LYS 16 49.050 15.009 -2.656 168 HZ2 LYS 16 HZ2 LYS 16 50.011 15.437 -3.991 169 HZ3 LYS 16 HZ3 LYS 16 50.633 14.413 -2.787 170 H ILE 17 HN ILE 17 43.537 11.780 -2.881 171 HA ILE 17 HA ILE 17 43.087 13.730 -5.022 172 HB ILE 17 HB ILE 17 43.276 11.286 -5.447 173 HG12 ILE 17 HG12 ILE 17 40.417 11.953 -6.228 174 HG13 ILE 17 HG11 ILE 17 41.715 13.017 -6.811 175 HG21 ILE 17 HG21 ILE 17 41.512 9.748 -4.787 176 HG22 ILE 17 HG22 ILE 17 40.573 11.066 -4.051 177 HG23 ILE 17 HG23 ILE 17 42.128 10.578 -3.340 178 HD11 ILE 17 HD1 ILE 17 41.122 11.108 -8.369 179 HD12 ILE 17 HD2 ILE 17 41.748 9.988 -7.136 180 HD13 ILE 17 HD3 ILE 17 42.836 11.172 -7.899 181 H ILE 18 HN ILE 18 42.300 14.693 -2.478 182 HA ILE 18 HA ILE 18 40.445 15.436 -1.251 183 HB ILE 18 HB ILE 18 38.952 16.907 -2.651 184 HG12 ILE 18 HG12 ILE 18 40.705 15.950 -4.966 185 HG13 ILE 18 HG11 ILE 18 39.040 15.393 -4.696 186 HG21 ILE 18 HG21 ILE 18 41.235 17.584 -1.753 187 HG22 ILE 18 HG22 ILE 18 40.702 18.489 -3.186 188 HG23 ILE 18 HG23 ILE 18 41.905 17.190 -3.353 189 HD11 ILE 18 HD1 ILE 18 38.404 17.920 -4.688 190 HD12 ILE 18 HD2 ILE 18 38.809 17.169 -6.248 191 HD13 ILE 18 HD3 ILE 18 40.010 18.178 -5.411 192 H GLY 19 HN GLY 19 40.029 12.804 -1.387 193 HA2 GLY 19 HA1 GLY 19 38.277 11.341 -1.001 194 HA3 GLY 19 HA2 GLY 19 37.135 12.657 -1.330 195 H GLY 20 HN GLY 20 36.815 13.264 -3.636 196 HA2 GLY 20 HA1 GLY 20 36.008 12.539 -5.686 197 HA3 GLY 20 HA2 GLY 20 37.620 11.814 -5.860 198 H ALA 21 HN ALA 21 37.945 9.600 -5.322 199 HA ALA 21 HA ALA 21 35.911 7.828 -6.113 200 HB1 ALA 21 HB1 ALA 21 38.375 7.317 -5.770 201 HB2 ALA 21 HB2 ALA 21 37.252 6.069 -5.178 202 HB3 ALA 21 HB3 ALA 21 38.028 7.188 -4.030 203 H ALA 22 HN ALA 22 36.520 9.394 -3.055 204 HA ALA 22 HA ALA 22 34.360 7.833 -1.693 205 HB1 ALA 22 HB1 ALA 22 36.426 8.141 -0.433 206 HB2 ALA 22 HB2 ALA 22 35.122 9.093 0.317 207 HB3 ALA 22 HB3 ALA 22 36.351 9.900 -0.687 208 H LEU 23 HN LEU 23 35.391 11.215 -2.379 209 HA LEU 23 HA LEU 23 32.784 12.281 -1.605 210 HB2 LEU 23 HB2 LEU 23 34.962 13.551 -1.468 211 HB3 LEU 23 HB1 LEU 23 34.977 13.602 -3.243 212 HG LEU 23 HG LEU 23 32.598 14.671 -3.038 213 HD11 LEU 23 HD11 LEU 23 32.403 16.031 -0.867 214 HD12 LEU 23 HD12 LEU 23 33.630 14.944 -0.180 215 HD13 LEU 23 HD13 LEU 23 32.066 14.294 -0.722 216 HD21 LEU 23 HD21 LEU 23 35.052 16.187 -2.041 217 HD22 LEU 23 HD22 LEU 23 33.585 16.923 -2.731 218 HD23 LEU 23 HD23 LEU 23 34.630 15.899 -3.746 219 H ASP 24 HN ASP 24 31.579 10.710 -2.980 220 HA ASP 24 HA ASP 24 30.618 12.057 -5.342 221 HB2 ASP 24 HB2 ASP 24 31.293 10.393 -7.033 222 HB3 ASP 24 HB1 ASP 24 32.717 11.187 -6.319 223 H HIS 25 HN HIS 25 30.822 9.370 -3.153 224 HA HIS 25 HA HIS 25 28.677 7.776 -4.216 225 HB2 HIS 25 HB2 HIS 25 30.348 7.022 -2.502 226 HB3 HIS 25 HB1 HIS 25 29.542 8.072 -1.313 227 HD1 HIS 25 HD1 HIS 25 27.591 7.098 -0.082 228 HD2 HIS 25 HD2 HIS 25 28.443 5.003 -3.629 229 HE1 HIS 25 HE1 HIS 25 26.051 5.060 -0.151 230 H LEU 26 HN LEU 26 28.665 10.905 -3.007 231 HA LEU 26 HA LEU 26 26.274 10.919 -1.420 232 HB2 LEU 26 HB2 LEU 26 27.739 13.005 -3.069 233 HB3 LEU 26 HB1 LEU 26 26.204 13.397 -2.258 234 HG LEU 26 HG LEU 26 27.168 12.700 -0.085 235 HD11 LEU 26 HD11 LEU 26 29.738 12.388 -0.072 236 HD12 LEU 26 HD12 LEU 26 29.593 12.091 -1.822 237 HD13 LEU 26 HD13 LEU 26 28.764 11.023 -0.662 238 HD21 LEU 26 HD21 LEU 26 28.765 14.576 0.148 239 HD22 LEU 26 HD22 LEU 26 27.373 15.058 -0.850 240 HD23 LEU 26 HD23 LEU 26 28.929 14.666 -1.622 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 53.366 -2.793 3.514 2 H2 GLY 1 HT2 GLY 1 52.601 -1.670 4.535 3 H3 GLY 1 HT3 GLY 1 54.297 -1.740 4.460 4 HA2 GLY 1 HA1 GLY 1 53.251 -1.378 1.890 5 HA3 GLY 1 HA2 GLY 1 52.593 -0.160 3.000 6 H ARG 2 HN ARG 2 55.068 -0.842 0.905 7 HA ARG 2 HA ARG 2 56.565 1.503 1.752 8 HB2 ARG 2 HB2 ARG 2 58.722 0.328 2.165 9 HB3 ARG 2 HB1 ARG 2 57.491 -0.046 3.395 10 HG2 ARG 2 HG2 ARG 2 56.914 -2.120 1.999 11 HG3 ARG 2 HG1 ARG 2 58.389 -1.785 1.063 12 HD2 ARG 2 HD2 ARG 2 59.722 -1.861 3.167 13 HD3 ARG 2 HD1 ARG 2 58.242 -2.258 4.071 14 HE ARG 2 HE ARG 2 58.491 -4.154 1.971 15 HH11 ARG 2 HH11 ARG 2 58.115 -5.650 4.169 16 HH12 ARG 2 HH12 ARG 2 59.665 -6.090 4.804 17 HH21 ARG 2 HH21 ARG 2 61.373 -3.626 3.064 18 HH22 ARG 2 HH22 ARG 2 61.509 -4.944 4.178 19 H ARG 3 HN ARG 3 57.434 2.417 0.018 20 HA ARG 3 HA ARG 3 58.705 0.932 -2.104 21 HB2 ARG 3 HB2 ARG 3 56.277 0.398 -2.569 22 HB3 ARG 3 HB1 ARG 3 56.008 2.138 -2.829 23 HG2 ARG 3 HG2 ARG 3 57.677 2.159 -4.632 24 HG3 ARG 3 HG1 ARG 3 58.041 0.440 -4.343 25 HD2 ARG 3 HD2 ARG 3 55.293 1.509 -5.120 26 HD3 ARG 3 HD1 ARG 3 56.461 0.812 -6.268 27 HE ARG 3 HE ARG 3 56.156 -1.111 -4.246 28 HH11 ARG 3 HH11 ARG 3 54.580 -2.731 -4.342 29 HH12 ARG 3 HH12 ARG 3 53.256 -2.565 -5.445 30 HH21 ARG 3 HH21 ARG 3 54.264 0.543 -6.606 31 HH22 ARG 3 HH22 ARG 3 53.076 -0.712 -6.726 32 H LYS 4 HN LYS 4 57.140 3.836 -0.877 33 HA LYS 4 HA LYS 4 59.379 5.475 -1.766 34 HB2 LYS 4 HB2 LYS 4 57.922 5.220 -3.860 35 HB3 LYS 4 HB1 LYS 4 56.676 6.145 -2.989 36 HG2 LYS 4 HG2 LYS 4 58.361 7.979 -2.630 37 HG3 LYS 4 HG1 LYS 4 59.511 7.067 -3.636 38 HD2 LYS 4 HD2 LYS 4 57.940 7.152 -5.538 39 HD3 LYS 4 HD1 LYS 4 56.760 8.031 -4.535 40 HE2 LYS 4 HE2 LYS 4 59.586 9.042 -5.051 41 HE3 LYS 4 HE1 LYS 4 58.188 9.498 -6.054 42 HZ1 LYS 4 HZ1 LYS 4 58.124 9.793 -3.110 43 HZ2 LYS 4 HZ2 LYS 4 57.173 10.574 -4.280 44 HZ3 LYS 4 HZ3 LYS 4 58.808 10.994 -4.091 45 H ARG 5 HN ARG 5 58.827 5.173 0.731 46 HA ARG 5 HA ARG 5 58.063 6.166 2.689 47 HB2 ARG 5 HB2 ARG 5 58.132 8.681 0.977 48 HB3 ARG 5 HB1 ARG 5 58.230 8.597 2.753 49 HG2 ARG 5 HG2 ARG 5 60.314 7.223 2.532 50 HG3 ARG 5 HG1 ARG 5 60.239 7.444 0.767 51 HD2 ARG 5 HD2 ARG 5 61.758 9.110 1.703 52 HD3 ARG 5 HD1 ARG 5 60.286 9.932 1.130 53 HE ARG 5 HE ARG 5 59.922 10.592 3.359 54 HH11 ARG 5 HH11 ARG 5 62.426 8.284 3.227 55 HH12 ARG 5 HH12 ARG 5 62.408 7.944 4.925 56 HH21 ARG 5 HH21 ARG 5 59.634 9.925 5.563 57 HH22 ARG 5 HH22 ARG 5 60.827 8.873 6.248 58 H LYS 6 HN LYS 6 56.415 8.167 3.394 59 HA LYS 6 HA LYS 6 53.791 7.070 2.641 60 HB2 LYS 6 HB2 LYS 6 54.577 9.380 4.464 61 HB3 LYS 6 HB1 LYS 6 52.940 8.706 4.305 62 HG2 LYS 6 HG2 LYS 6 53.612 6.581 5.185 63 HG3 LYS 6 HG1 LYS 6 55.340 6.979 5.047 64 HD2 LYS 6 HD2 LYS 6 53.570 8.736 6.783 65 HD3 LYS 6 HD1 LYS 6 54.083 7.154 7.407 66 HE2 LYS 6 HE2 LYS 6 56.046 9.193 6.277 67 HE3 LYS 6 HE1 LYS 6 55.614 9.108 8.000 68 HZ1 LYS 6 HZ1 LYS 6 57.593 7.700 6.856 69 HZ2 LYS 6 HZ2 LYS 6 56.324 6.572 6.790 70 HZ3 LYS 6 HZ3 LYS 6 56.793 7.239 8.279 71 H TRP 7 HN TRP 7 54.201 7.697 0.320 72 HA TRP 7 HA TRP 7 52.685 10.156 -0.219 73 HB2 TRP 7 HB2 TRP 7 55.605 9.887 -1.042 74 HB3 TRP 7 HB1 TRP 7 54.469 11.016 -1.818 75 HD1 TRP 7 HD1 TRP 7 56.477 10.466 1.347 76 HE1 TRP 7 HE1 TRP 7 56.317 12.559 2.884 77 HE3 TRP 7 HE3 TRP 7 52.824 13.030 -1.161 78 HZ2 TRP 7 HZ2 TRP 7 54.794 15.002 2.980 79 HZ3 TRP 7 HZ3 TRP 7 52.033 15.241 -0.329 80 HH2 TRP 7 HH2 TRP 7 53.013 16.227 1.737 81 H LEU 8 HN LEU 8 53.633 7.036 -0.774 82 HA LEU 8 HA LEU 8 53.404 6.892 -3.644 83 HB2 LEU 8 HB2 LEU 8 53.475 4.535 -3.378 84 HB3 LEU 8 HB1 LEU 8 54.488 5.186 -2.074 85 HG LEU 8 HG LEU 8 51.619 4.163 -1.831 86 HD11 LEU 8 HD11 LEU 8 54.254 3.230 -0.614 87 HD12 LEU 8 HD12 LEU 8 53.411 2.446 -1.972 88 HD13 LEU 8 HD13 LEU 8 52.658 2.486 -0.359 89 HD21 LEU 8 HD21 LEU 8 53.444 5.556 0.182 90 HD22 LEU 8 HD22 LEU 8 52.028 4.592 0.652 91 HD23 LEU 8 HD23 LEU 8 51.814 6.056 -0.332 92 H ARG 9 HN ARG 9 51.161 8.044 -1.669 93 HA ARG 9 HA ARG 9 48.887 8.313 -1.845 94 HB2 ARG 9 HB2 ARG 9 48.971 6.796 -4.474 95 HB3 ARG 9 HB1 ARG 9 47.819 8.043 -3.952 96 HG2 ARG 9 HG2 ARG 9 50.772 8.437 -4.608 97 HG3 ARG 9 HG1 ARG 9 49.377 9.062 -5.514 98 HD2 ARG 9 HD2 ARG 9 48.721 10.275 -3.316 99 HD3 ARG 9 HD1 ARG 9 50.375 9.904 -2.772 100 HE ARG 9 HE ARG 9 50.608 11.080 -5.332 101 HH11 ARG 9 HH11 ARG 9 49.409 11.835 -2.189 102 HH12 ARG 9 HH12 ARG 9 49.760 13.526 -2.315 103 HH21 ARG 9 HH21 ARG 9 51.084 13.281 -5.511 104 HH22 ARG 9 HH22 ARG 9 50.708 14.345 -4.197 105 H ARG 10 HN ARG 10 49.774 6.196 -0.286 106 HA ARG 10 HA ARG 10 48.641 3.667 -0.844 107 HB2 ARG 10 HB2 ARG 10 48.272 3.718 1.818 108 HB3 ARG 10 HB1 ARG 10 49.905 3.646 1.120 109 HG2 ARG 10 HG2 ARG 10 50.279 5.979 1.453 110 HG3 ARG 10 HG1 ARG 10 48.559 6.305 1.746 111 HD2 ARG 10 HD2 ARG 10 49.780 6.314 3.876 112 HD3 ARG 10 HD1 ARG 10 48.687 4.910 3.824 113 HE ARG 10 HE ARG 10 51.331 4.231 2.838 114 HH11 ARG 10 HH11 ARG 10 52.187 5.431 5.340 115 HH12 ARG 10 HH12 ARG 10 51.944 4.175 6.507 116 HH21 ARG 10 HH21 ARG 10 49.822 2.332 4.477 117 HH22 ARG 10 HH22 ARG 10 50.604 2.422 6.019 118 H ILE 11 HN ILE 11 47.057 5.395 1.779 119 HA ILE 11 HA ILE 11 44.426 4.693 0.622 120 HB ILE 11 HB ILE 11 43.557 5.733 2.766 121 HG12 ILE 11 HG12 ILE 11 46.461 5.720 3.701 122 HG13 ILE 11 HG11 ILE 11 45.753 7.178 2.980 123 HG21 ILE 11 HG21 ILE 11 44.262 3.843 4.158 124 HG22 ILE 11 HG22 ILE 11 45.683 3.570 3.124 125 HG23 ILE 11 HG23 ILE 11 44.048 3.290 2.483 126 HD11 ILE 11 HD1 ILE 11 45.494 7.338 5.380 127 HD12 ILE 11 HD2 ILE 11 44.784 5.711 5.469 128 HD13 ILE 11 HD3 ILE 11 43.886 7.034 4.684 129 H GLY 12 HN GLY 12 46.644 7.219 0.318 130 HA2 GLY 12 HA1 GLY 12 44.950 9.510 0.478 131 HA3 GLY 12 HA2 GLY 12 46.432 9.380 -0.495 132 H LYS 13 HN LYS 13 45.752 7.382 -2.288 133 HA LYS 13 HA LYS 13 44.455 8.713 -4.355 134 HB2 LYS 13 HB2 LYS 13 44.011 6.488 -5.322 135 HB3 LYS 13 HB1 LYS 13 45.631 6.544 -4.578 136 HG2 LYS 13 HG2 LYS 13 44.536 5.626 -2.447 137 HG3 LYS 13 HG1 LYS 13 43.094 5.314 -3.441 138 HD2 LYS 13 HD2 LYS 13 44.610 4.010 -5.033 139 HD3 LYS 13 HD1 LYS 13 45.884 4.143 -3.795 140 HE2 LYS 13 HE2 LYS 13 44.790 2.030 -3.425 141 HE3 LYS 13 HE1 LYS 13 44.221 3.125 -2.142 142 HZ1 LYS 13 HZ1 LYS 13 42.424 1.846 -3.231 143 HZ2 LYS 13 HZ2 LYS 13 42.774 2.629 -4.697 144 HZ3 LYS 13 HZ3 LYS 13 42.217 3.524 -3.365 145 H GLY 14 HN GLY 14 43.080 7.486 -1.449 146 HA2 GLY 14 HA1 GLY 14 40.307 7.438 -2.549 147 HA3 GLY 14 HA2 GLY 14 40.833 6.868 -0.954 148 H VAL 15 HN VAL 15 42.298 9.064 -0.028 149 HA VAL 15 HA VAL 15 40.078 11.087 0.275 150 HB VAL 15 HB VAL 15 41.316 11.749 2.377 151 HG11 VAL 15 HG11 VAL 15 40.570 9.726 3.656 152 HG12 VAL 15 HG12 VAL 15 40.358 8.865 2.113 153 HG13 VAL 15 HG13 VAL 15 39.355 10.289 2.484 154 HG21 VAL 15 HG21 VAL 15 43.542 10.894 1.892 155 HG22 VAL 15 HG22 VAL 15 42.913 9.246 1.667 156 HG23 VAL 15 HG23 VAL 15 42.901 9.989 3.282 157 H LYS 16 HN LYS 16 43.609 10.705 -0.175 158 HA LYS 16 HA LYS 16 44.135 13.525 -0.359 159 HB2 LYS 16 HB2 LYS 16 45.828 11.655 0.034 160 HB3 LYS 16 HB1 LYS 16 45.711 11.304 -1.704 161 HG2 LYS 16 HG2 LYS 16 47.523 12.786 -1.709 162 HG3 LYS 16 HG1 LYS 16 46.187 13.934 -1.946 163 HD2 LYS 16 HD2 LYS 16 46.142 14.292 0.559 164 HD3 LYS 16 HD1 LYS 16 47.585 13.260 0.683 165 HE2 LYS 16 HE2 LYS 16 48.804 14.793 -0.844 166 HE3 LYS 16 HE1 LYS 16 47.364 15.835 -0.936 167 HZ1 LYS 16 HZ1 LYS 16 48.266 15.168 1.746 168 HZ2 LYS 16 HZ2 LYS 16 47.721 16.648 1.113 169 HZ3 LYS 16 HZ3 LYS 16 49.324 16.150 0.854 170 H ILE 17 HN ILE 17 43.371 11.007 -2.836 171 HA ILE 17 HA ILE 17 43.908 12.329 -5.188 172 HB ILE 17 HB ILE 17 42.754 10.150 -5.086 173 HG12 ILE 17 HG12 ILE 17 41.118 12.154 -6.707 174 HG13 ILE 17 HG11 ILE 17 42.757 11.634 -7.161 175 HG21 ILE 17 HG21 ILE 17 40.398 9.970 -4.610 176 HG22 ILE 17 HG22 ILE 17 40.207 11.740 -4.581 177 HG23 ILE 17 HG23 ILE 17 41.115 10.920 -3.289 178 HD11 ILE 17 HD1 ILE 17 41.868 9.219 -7.040 179 HD12 ILE 17 HD2 ILE 17 41.268 10.217 -8.384 180 HD13 ILE 17 HD3 ILE 17 40.240 9.936 -6.960 181 H ILE 18 HN ILE 18 41.595 13.404 -2.781 182 HA ILE 18 HA ILE 18 41.237 15.904 -4.285 183 HB ILE 18 HB ILE 18 39.487 14.367 -5.284 184 HG12 ILE 18 HG12 ILE 18 37.556 15.964 -4.888 185 HG13 ILE 18 HG11 ILE 18 38.531 16.765 -3.641 186 HG21 ILE 18 HG21 ILE 18 37.679 13.539 -3.983 187 HG22 ILE 18 HG22 ILE 18 38.102 14.555 -2.585 188 HG23 ILE 18 HG23 ILE 18 39.129 13.168 -3.023 189 HD11 ILE 18 HD1 ILE 18 38.523 17.690 -6.141 190 HD12 ILE 18 HD2 ILE 18 39.719 16.403 -6.410 191 HD13 ILE 18 HD3 ILE 18 40.032 17.675 -5.204 192 H GLY 19 HN GLY 19 40.047 13.862 -1.587 193 HA2 GLY 19 HA1 GLY 19 39.869 14.388 0.667 194 HA3 GLY 19 HA2 GLY 19 40.792 15.871 0.356 195 H GLY 20 HN GLY 20 37.576 14.517 -0.507 196 HA2 GLY 20 HA1 GLY 20 36.034 16.338 0.968 197 HA3 GLY 20 HA2 GLY 20 36.337 17.119 -0.597 198 H ALA 21 HN ALA 21 35.901 15.711 -2.559 199 HA ALA 21 HA ALA 21 33.172 14.965 -2.577 200 HB1 ALA 21 HB1 ALA 21 35.318 13.862 -4.416 201 HB2 ALA 21 HB2 ALA 21 34.634 15.498 -4.565 202 HB3 ALA 21 HB3 ALA 21 33.586 14.073 -4.769 203 H ALA 22 HN ALA 22 36.066 12.828 -2.597 204 HA ALA 22 HA ALA 22 34.465 10.439 -2.178 205 HB1 ALA 22 HB1 ALA 22 36.593 10.238 -3.279 206 HB2 ALA 22 HB2 ALA 22 36.714 9.398 -1.714 207 HB3 ALA 22 HB3 ALA 22 37.435 11.013 -1.916 208 H LEU 23 HN LEU 23 35.643 12.956 -0.148 209 HA LEU 23 HA LEU 23 35.766 11.319 2.288 210 HB2 LEU 23 HB2 LEU 23 36.944 13.650 1.612 211 HB3 LEU 23 HB1 LEU 23 35.499 14.331 2.381 212 HG LEU 23 HG LEU 23 37.392 12.307 3.675 213 HD11 LEU 23 HD11 LEU 23 38.135 14.210 5.048 214 HD12 LEU 23 HD12 LEU 23 37.034 15.296 4.166 215 HD13 LEU 23 HD13 LEU 23 38.414 14.550 3.325 216 HD21 LEU 23 HD21 LEU 23 34.985 13.874 4.707 217 HD22 LEU 23 HD22 LEU 23 36.130 13.006 5.756 218 HD23 LEU 23 HD23 LEU 23 35.141 12.106 4.584 219 H ASP 24 HN ASP 24 33.474 10.605 1.281 220 HA ASP 24 HA ASP 24 31.527 11.588 3.234 221 HB2 ASP 24 HB2 ASP 24 31.277 12.239 0.281 222 HB3 ASP 24 HB1 ASP 24 29.843 12.115 1.329 223 H HIS 25 HN HIS 25 32.016 9.848 0.140 224 HA HIS 25 HA HIS 25 31.255 7.772 -0.557 225 HB2 HIS 25 HB2 HIS 25 32.689 7.101 1.385 226 HB3 HIS 25 HB1 HIS 25 31.240 7.132 2.418 227 HD1 HIS 25 HD1 HIS 25 30.064 6.064 -0.782 228 HD2 HIS 25 HD2 HIS 25 32.093 4.174 2.378 229 HE1 HIS 25 HE1 HIS 25 29.778 3.545 -1.093 230 H LEU 26 HN LEU 26 29.254 8.705 -1.287 231 HA LEU 26 HA LEU 26 26.922 8.875 0.374 232 HB2 LEU 26 HB2 LEU 26 27.377 8.635 -2.619 233 HB3 LEU 26 HB1 LEU 26 25.732 8.661 -1.943 234 HG LEU 26 HG LEU 26 26.199 10.824 -0.846 235 HD11 LEU 26 HD11 LEU 26 28.956 10.389 -2.061 236 HD12 LEU 26 HD12 LEU 26 28.535 10.754 -0.370 237 HD13 LEU 26 HD13 LEU 26 28.371 12.011 -1.617 238 HD21 LEU 26 HD21 LEU 26 26.249 12.190 -2.865 239 HD22 LEU 26 HD22 LEU 26 25.347 10.698 -3.219 240 HD23 LEU 26 HD23 LEU 26 27.026 10.878 -3.783 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 54.439 1.177 8.220 2 H2 GLY 1 HT2 GLY 1 54.291 1.112 9.911 3 H3 GLY 1 HT3 GLY 1 55.360 2.219 9.189 4 HA2 GLY 1 HA1 GLY 1 52.435 2.221 8.855 5 HA3 GLY 1 HA2 GLY 1 53.328 3.242 10.000 6 H ARG 2 HN ARG 2 55.533 3.103 7.735 7 HA ARG 2 HA ARG 2 54.431 4.620 5.546 8 HB2 ARG 2 HB2 ARG 2 55.471 6.821 6.097 9 HB3 ARG 2 HB1 ARG 2 54.144 6.391 7.199 10 HG2 ARG 2 HG2 ARG 2 55.887 5.459 8.793 11 HG3 ARG 2 HG1 ARG 2 57.135 6.155 7.731 12 HD2 ARG 2 HD2 ARG 2 56.103 8.404 8.020 13 HD3 ARG 2 HD1 ARG 2 54.899 7.695 9.122 14 HE ARG 2 HE ARG 2 57.469 6.999 10.112 15 HH11 ARG 2 HH11 ARG 2 55.229 8.504 11.558 16 HH12 ARG 2 HH12 ARG 2 56.030 9.990 11.946 17 HH21 ARG 2 HH21 ARG 2 58.643 9.469 9.728 18 HH22 ARG 2 HH22 ARG 2 57.963 10.536 10.911 19 H ARG 3 HN ARG 3 56.102 5.441 4.087 20 HA ARG 3 HA ARG 3 58.872 4.468 4.645 21 HB2 ARG 3 HB2 ARG 3 57.200 3.593 2.252 22 HB3 ARG 3 HB1 ARG 3 58.947 3.308 2.445 23 HG2 ARG 3 HG2 ARG 3 58.393 2.141 4.652 24 HG3 ARG 3 HG1 ARG 3 56.682 2.223 4.169 25 HD2 ARG 3 HD2 ARG 3 58.918 0.900 2.569 26 HD3 ARG 3 HD1 ARG 3 57.687 0.048 3.530 27 HE ARG 3 HE ARG 3 56.444 1.810 1.601 28 HH11 ARG 3 HH11 ARG 3 57.503 0.879 -0.628 29 HH12 ARG 3 HH12 ARG 3 57.031 -0.773 -0.847 30 HH21 ARG 3 HH21 ARG 3 56.083 -1.219 2.458 31 HH22 ARG 3 HH22 ARG 3 56.227 -1.961 0.900 32 H LYS 4 HN LYS 4 57.211 5.331 1.602 33 HA LYS 4 HA LYS 4 59.270 7.316 1.010 34 HB2 LYS 4 HB2 LYS 4 56.617 6.781 -0.384 35 HB3 LYS 4 HB1 LYS 4 57.996 7.697 -1.042 36 HG2 LYS 4 HG2 LYS 4 59.406 5.709 -1.003 37 HG3 LYS 4 HG1 LYS 4 58.133 4.774 -0.179 38 HD2 LYS 4 HD2 LYS 4 56.670 4.943 -2.113 39 HD3 LYS 4 HD1 LYS 4 57.796 6.061 -2.923 40 HE2 LYS 4 HE2 LYS 4 59.486 4.329 -3.108 41 HE3 LYS 4 HE1 LYS 4 58.522 3.215 -2.110 42 HZ1 LYS 4 HZ1 LYS 4 57.966 2.532 -4.209 43 HZ2 LYS 4 HZ2 LYS 4 58.095 4.084 -4.889 44 HZ3 LYS 4 HZ3 LYS 4 56.742 3.676 -3.945 45 H ARG 5 HN ARG 5 57.192 7.506 3.352 46 HA ARG 5 HA ARG 5 56.030 9.203 4.410 47 HB2 ARG 5 HB2 ARG 5 58.352 10.244 4.030 48 HB3 ARG 5 HB1 ARG 5 57.618 11.124 2.673 49 HG2 ARG 5 HG2 ARG 5 57.510 12.571 4.613 50 HG3 ARG 5 HG1 ARG 5 55.863 12.001 4.274 51 HD2 ARG 5 HD2 ARG 5 55.771 10.704 6.207 52 HD3 ARG 5 HD1 ARG 5 57.517 10.360 6.202 53 HE ARG 5 HE ARG 5 56.204 12.729 7.386 54 HH11 ARG 5 HH11 ARG 5 57.647 12.964 9.294 55 HH12 ARG 5 HH12 ARG 5 59.327 13.179 8.931 56 HH21 ARG 5 HH21 ARG 5 59.005 12.243 5.610 57 HH22 ARG 5 HH22 ARG 5 60.094 12.773 6.847 58 H LYS 6 HN LYS 6 54.223 8.281 2.999 59 HA LYS 6 HA LYS 6 52.372 8.640 1.644 60 HB2 LYS 6 HB2 LYS 6 52.844 11.583 2.263 61 HB3 LYS 6 HB1 LYS 6 51.302 10.788 1.866 62 HG2 LYS 6 HG2 LYS 6 51.565 9.375 3.936 63 HG3 LYS 6 HG1 LYS 6 53.002 10.340 4.357 64 HD2 LYS 6 HD2 LYS 6 51.675 12.376 4.472 65 HD3 LYS 6 HD1 LYS 6 50.237 11.522 3.866 66 HE2 LYS 6 HE2 LYS 6 50.202 10.096 5.867 67 HE3 LYS 6 HE1 LYS 6 51.689 10.868 6.466 68 HZ1 LYS 6 HZ1 LYS 6 49.613 12.742 5.775 69 HZ2 LYS 6 HZ2 LYS 6 50.556 12.634 7.184 70 HZ3 LYS 6 HZ3 LYS 6 49.159 11.681 7.018 71 H TRP 7 HN TRP 7 53.277 7.969 -0.280 72 HA TRP 7 HA TRP 7 53.276 9.957 -2.385 73 HB2 TRP 7 HB2 TRP 7 55.582 10.314 -1.411 74 HB3 TRP 7 HB1 TRP 7 55.954 8.621 -1.816 75 HD1 TRP 7 HD1 TRP 7 55.914 7.958 -4.439 76 HE1 TRP 7 HE1 TRP 7 56.387 9.364 -6.575 77 HE3 TRP 7 HE3 TRP 7 55.398 12.647 -2.449 78 HZ2 TRP 7 HZ2 TRP 7 56.515 12.152 -7.289 79 HZ3 TRP 7 HZ3 TRP 7 55.701 14.665 -3.877 80 HH2 TRP 7 HH2 TRP 7 56.258 14.422 -6.292 81 H LEU 8 HN LEU 8 53.412 6.873 -1.019 82 HA LEU 8 HA LEU 8 53.690 5.354 -3.510 83 HB2 LEU 8 HB2 LEU 8 52.668 3.524 -1.774 84 HB3 LEU 8 HB1 LEU 8 54.379 3.996 -1.764 85 HG LEU 8 HG LEU 8 53.982 5.604 0.037 86 HD11 LEU 8 HD11 LEU 8 51.800 6.492 -0.267 87 HD12 LEU 8 HD12 LEU 8 51.593 5.446 1.149 88 HD13 LEU 8 HD13 LEU 8 51.069 4.880 -0.457 89 HD21 LEU 8 HD21 LEU 8 54.419 3.233 0.606 90 HD22 LEU 8 HD22 LEU 8 52.669 2.907 0.593 91 HD23 LEU 8 HD23 LEU 8 53.363 4.001 1.815 92 H ARG 9 HN ARG 9 51.202 7.086 -1.905 93 HA ARG 9 HA ARG 9 48.915 7.228 -2.285 94 HB2 ARG 9 HB2 ARG 9 49.721 6.091 -4.993 95 HB3 ARG 9 HB1 ARG 9 48.193 6.915 -4.632 96 HG2 ARG 9 HG2 ARG 9 50.857 8.282 -4.089 97 HG3 ARG 9 HG1 ARG 9 50.144 8.300 -5.716 98 HD2 ARG 9 HD2 ARG 9 48.023 9.248 -4.696 99 HD3 ARG 9 HD1 ARG 9 48.900 9.396 -3.155 100 HE ARG 9 HE ARG 9 50.523 10.689 -5.022 101 HH11 ARG 9 HH11 ARG 9 49.136 12.139 -6.631 102 HH12 ARG 9 HH12 ARG 9 48.168 13.282 -5.762 103 HH21 ARG 9 HH21 ARG 9 48.461 11.626 -2.729 104 HH22 ARG 9 HH22 ARG 9 47.787 12.993 -3.553 105 H ARG 10 HN ARG 10 49.064 5.301 -0.653 106 HA ARG 10 HA ARG 10 48.040 2.768 -1.867 107 HB2 ARG 10 HB2 ARG 10 48.421 1.797 0.325 108 HB3 ARG 10 HB1 ARG 10 49.862 2.729 -0.145 109 HG2 ARG 10 HG2 ARG 10 48.753 4.709 1.165 110 HG3 ARG 10 HG1 ARG 10 47.704 3.454 1.871 111 HD2 ARG 10 HD2 ARG 10 50.753 3.377 1.938 112 HD3 ARG 10 HD1 ARG 10 49.724 3.939 3.277 113 HE ARG 10 HE ARG 10 48.960 1.281 2.386 114 HH11 ARG 10 HH11 ARG 10 49.328 -0.364 3.897 115 HH12 ARG 10 HH12 ARG 10 50.537 -0.143 5.117 116 HH21 ARG 10 HH21 ARG 10 51.348 3.073 4.107 117 HH22 ARG 10 HH22 ARG 10 51.680 1.803 5.237 118 H ILE 11 HN ILE 11 47.164 5.204 0.587 119 HA ILE 11 HA ILE 11 44.274 4.490 0.182 120 HB ILE 11 HB ILE 11 45.130 3.590 2.400 121 HG12 ILE 11 HG12 ILE 11 43.383 4.719 3.810 122 HG13 ILE 11 HG11 ILE 11 43.168 5.933 2.533 123 HG21 ILE 11 HG21 ILE 11 45.463 6.517 3.167 124 HG22 ILE 11 HG22 ILE 11 46.828 5.505 2.638 125 HG23 ILE 11 HG23 ILE 11 45.918 5.075 4.105 126 HD11 ILE 11 HD1 ILE 11 42.926 3.002 1.796 127 HD12 ILE 11 HD2 ILE 11 42.119 4.418 1.077 128 HD13 ILE 11 HD3 ILE 11 41.577 3.789 2.648 129 H GLY 12 HN GLY 12 46.885 6.694 0.547 130 HA2 GLY 12 HA1 GLY 12 45.492 9.097 1.144 131 HA3 GLY 12 HA2 GLY 12 46.992 8.978 0.192 132 H LYS 13 HN LYS 13 45.916 7.297 -1.884 133 HA LYS 13 HA LYS 13 45.013 9.246 -3.719 134 HB2 LYS 13 HB2 LYS 13 45.859 7.037 -4.393 135 HB3 LYS 13 HB1 LYS 13 44.430 6.258 -3.676 136 HG2 LYS 13 HG2 LYS 13 42.955 7.275 -5.270 137 HG3 LYS 13 HG1 LYS 13 44.220 8.390 -5.837 138 HD2 LYS 13 HD2 LYS 13 43.827 6.460 -7.406 139 HD3 LYS 13 HD1 LYS 13 45.496 6.538 -6.796 140 HE2 LYS 13 HE2 LYS 13 45.161 4.718 -5.305 141 HE3 LYS 13 HE1 LYS 13 43.388 4.844 -5.406 142 HZ1 LYS 13 HZ1 LYS 13 45.274 3.577 -7.224 143 HZ2 LYS 13 HZ2 LYS 13 44.013 4.441 -7.964 144 HZ3 LYS 13 HZ3 LYS 13 43.662 3.182 -6.879 145 H GLY 14 HN GLY 14 43.366 7.671 -1.147 146 HA2 GLY 14 HA1 GLY 14 40.668 8.244 -2.262 147 HA3 GLY 14 HA2 GLY 14 41.046 7.352 -0.777 148 H VAL 15 HN VAL 15 42.879 9.289 0.349 149 HA VAL 15 HA VAL 15 40.896 11.493 0.978 150 HB VAL 15 HB VAL 15 41.967 11.563 3.249 151 HG11 VAL 15 HG11 VAL 15 40.764 8.873 2.458 152 HG12 VAL 15 HG12 VAL 15 39.832 10.354 2.781 153 HG13 VAL 15 HG13 VAL 15 40.768 9.589 4.087 154 HG21 VAL 15 HG21 VAL 15 43.345 9.070 2.159 155 HG22 VAL 15 HG22 VAL 15 43.189 9.399 3.899 156 HG23 VAL 15 HG23 VAL 15 44.104 10.516 2.863 157 H LYS 16 HN LYS 16 44.403 10.671 0.837 158 HA LYS 16 HA LYS 16 45.441 13.210 1.363 159 HB2 LYS 16 HB2 LYS 16 46.803 11.174 0.990 160 HB3 LYS 16 HB1 LYS 16 46.460 11.278 -0.754 161 HG2 LYS 16 HG2 LYS 16 47.575 13.427 -0.910 162 HG3 LYS 16 HG1 LYS 16 47.757 13.512 0.858 163 HD2 LYS 16 HD2 LYS 16 49.198 11.495 0.810 164 HD3 LYS 16 HD1 LYS 16 49.027 11.418 -0.960 165 HE2 LYS 16 HE2 LYS 16 50.164 13.807 0.556 166 HE3 LYS 16 HE1 LYS 16 51.152 12.543 -0.215 167 HZ1 LYS 16 HZ1 LYS 16 51.021 13.899 -1.982 168 HZ2 LYS 16 HZ2 LYS 16 49.641 14.711 -1.413 169 HZ3 LYS 16 HZ3 LYS 16 49.485 13.214 -2.203 170 H ILE 17 HN ILE 17 44.326 11.954 -1.827 171 HA ILE 17 HA ILE 17 44.923 14.457 -3.160 172 HB ILE 17 HB ILE 17 44.704 12.206 -4.311 173 HG12 ILE 17 HG12 ILE 17 43.409 13.139 -6.294 174 HG13 ILE 17 HG11 ILE 17 42.997 14.544 -5.289 175 HG21 ILE 17 HG21 ILE 17 41.710 12.700 -4.179 176 HG22 ILE 17 HG22 ILE 17 42.549 11.648 -3.016 177 HG23 ILE 17 HG23 ILE 17 42.571 11.255 -4.751 178 HD11 ILE 17 HD1 ILE 17 45.915 13.758 -5.553 179 HD12 ILE 17 HD2 ILE 17 45.197 15.365 -5.289 180 HD13 ILE 17 HD3 ILE 17 45.125 14.613 -6.897 181 H ILE 18 HN ILE 18 41.901 12.956 -1.932 182 HA ILE 18 HA ILE 18 40.716 15.711 -1.730 183 HB ILE 18 HB ILE 18 39.322 13.256 -2.912 184 HG12 ILE 18 HG12 ILE 18 39.491 16.007 -4.213 185 HG13 ILE 18 HG11 ILE 18 40.877 14.912 -4.333 186 HG21 ILE 18 HG21 ILE 18 37.694 14.311 -1.518 187 HG22 ILE 18 HG22 ILE 18 37.385 14.977 -3.134 188 HG23 ILE 18 HG23 ILE 18 38.271 15.941 -1.933 189 HD11 ILE 18 HD1 ILE 18 38.035 14.341 -5.274 190 HD12 ILE 18 HD2 ILE 18 39.345 13.138 -5.258 191 HD13 ILE 18 HD3 ILE 18 39.475 14.582 -6.286 192 H GLY 19 HN GLY 19 41.146 15.650 0.487 193 HA2 GLY 19 HA1 GLY 19 39.204 14.952 2.249 194 HA3 GLY 19 HA2 GLY 19 40.083 13.417 2.099 195 H GLY 20 HN GLY 20 42.555 15.197 1.500 196 HA2 GLY 20 HA1 GLY 20 43.807 14.965 3.988 197 HA3 GLY 20 HA2 GLY 20 44.289 16.117 2.728 198 H ALA 21 HN ALA 21 41.270 17.075 3.203 199 HA ALA 21 HA ALA 21 40.342 18.878 4.324 200 HB1 ALA 21 HB1 ALA 21 42.026 17.972 6.680 201 HB2 ALA 21 HB2 ALA 21 40.498 17.196 6.197 202 HB3 ALA 21 HB3 ALA 21 40.507 18.898 6.722 203 H ALA 22 HN ALA 22 43.141 18.981 3.055 204 HA ALA 22 HA ALA 22 43.605 21.780 3.644 205 HB1 ALA 22 HB1 ALA 22 45.556 19.731 4.746 206 HB2 ALA 22 HB2 ALA 22 44.670 20.983 5.650 207 HB3 ALA 22 HB3 ALA 22 45.952 21.450 4.506 208 H LEU 23 HN LEU 23 44.671 18.692 2.310 209 HA LEU 23 HA LEU 23 46.446 19.972 0.328 210 HB2 LEU 23 HB2 LEU 23 45.453 17.099 0.351 211 HB3 LEU 23 HB1 LEU 23 46.929 17.747 -0.399 212 HG LEU 23 HG LEU 23 46.371 17.705 2.604 213 HD11 LEU 23 HD11 LEU 23 46.681 15.440 1.712 214 HD12 LEU 23 HD12 LEU 23 48.122 15.930 2.633 215 HD13 LEU 23 HD13 LEU 23 48.151 15.956 0.852 216 HD21 LEU 23 HD21 LEU 23 47.870 19.516 2.139 217 HD22 LEU 23 HD22 LEU 23 48.735 18.585 0.893 218 HD23 LEU 23 HD23 LEU 23 48.921 18.162 2.612 219 H ASP 24 HN ASP 24 43.522 20.654 0.471 220 HA ASP 24 HA ASP 24 43.046 20.563 -2.407 221 HB2 ASP 24 HB2 ASP 24 42.280 18.293 -1.811 222 HB3 ASP 24 HB1 ASP 24 41.194 18.980 -0.580 223 H HIS 25 HN HIS 25 41.650 21.022 0.853 224 HA HIS 25 HA HIS 25 40.276 22.700 1.677 225 HB2 HIS 25 HB2 HIS 25 42.256 24.074 1.111 226 HB3 HIS 25 HB1 HIS 25 41.605 24.331 -0.525 227 HD1 HIS 25 HD1 HIS 25 39.032 25.399 -0.530 228 HD2 HIS 25 HD2 HIS 25 41.359 25.954 2.930 229 HE1 HIS 25 HE1 HIS 25 38.010 27.347 0.771 230 H LEU 26 HN LEU 26 38.326 21.670 1.059 231 HA LEU 26 HA LEU 26 37.135 22.041 -1.538 232 HB2 LEU 26 HB2 LEU 26 36.062 21.265 1.196 233 HB3 LEU 26 HB1 LEU 26 34.975 21.458 -0.199 234 HG LEU 26 HG LEU 26 36.368 19.805 -1.470 235 HD11 LEU 26 HD11 LEU 26 38.521 19.946 -0.451 236 HD12 LEU 26 HD12 LEU 26 37.898 18.354 0.035 237 HD13 LEU 26 HD13 LEU 26 37.857 19.714 1.184 238 HD21 LEU 26 HD21 LEU 26 35.574 17.825 -0.211 239 HD22 LEU 26 HD22 LEU 26 34.339 19.106 -0.222 240 HD23 LEU 26 HD23 LEU 26 35.329 18.836 1.233 Start of MODEL 21 1 H1 GLY 1 HT1 GLY 1 54.360 -1.347 -0.097 2 H2 GLY 1 HT2 GLY 1 54.965 -0.125 -1.110 3 H3 GLY 1 HT3 GLY 1 53.995 0.277 0.225 4 HA2 GLY 1 HA1 GLY 1 55.669 -0.617 1.706 5 HA3 GLY 1 HA2 GLY 1 56.689 -0.910 0.284 6 H ARG 2 HN ARG 2 57.527 0.667 2.419 7 HA ARG 2 HA ARG 2 57.058 3.491 1.798 8 HB2 ARG 2 HB2 ARG 2 58.880 3.862 3.478 9 HB3 ARG 2 HB1 ARG 2 57.551 2.848 4.088 10 HG2 ARG 2 HG2 ARG 2 58.870 0.811 3.615 11 HG3 ARG 2 HG1 ARG 2 60.194 1.808 2.968 12 HD2 ARG 2 HD2 ARG 2 59.107 1.985 5.812 13 HD3 ARG 2 HD1 ARG 2 60.588 1.119 5.340 14 HE ARG 2 HE ARG 2 60.658 3.870 4.433 15 HH11 ARG 2 HH11 ARG 2 60.047 2.846 7.527 16 HH12 ARG 2 HH12 ARG 2 61.514 3.443 8.226 17 HH21 ARG 2 HH21 ARG 2 62.971 4.201 5.172 18 HH22 ARG 2 HH22 ARG 2 63.170 4.210 6.892 19 H ARG 3 HN ARG 3 57.826 2.217 -0.542 20 HA ARG 3 HA ARG 3 60.584 2.194 -1.136 21 HB2 ARG 3 HB2 ARG 3 58.806 1.398 -2.672 22 HB3 ARG 3 HB1 ARG 3 58.308 3.085 -2.950 23 HG2 ARG 3 HG2 ARG 3 60.442 3.635 -3.941 24 HG3 ARG 3 HG1 ARG 3 61.133 2.068 -3.458 25 HD2 ARG 3 HD2 ARG 3 60.496 2.083 -5.861 26 HD3 ARG 3 HD1 ARG 3 59.545 0.894 -4.938 27 HE ARG 3 HE ARG 3 57.972 3.176 -4.879 28 HH11 ARG 3 HH11 ARG 3 59.073 4.066 -7.440 29 HH12 ARG 3 HH12 ARG 3 58.110 3.224 -8.607 30 HH21 ARG 3 HH21 ARG 3 56.917 0.894 -6.333 31 HH22 ARG 3 HH22 ARG 3 56.890 1.428 -7.981 32 H LYS 4 HN LYS 4 58.378 4.887 -0.663 33 HA LYS 4 HA LYS 4 60.688 6.755 -0.799 34 HB2 LYS 4 HB2 LYS 4 59.409 8.333 -2.268 35 HB3 LYS 4 HB1 LYS 4 59.905 6.840 -3.098 36 HG2 LYS 4 HG2 LYS 4 57.566 5.917 -2.476 37 HG3 LYS 4 HG1 LYS 4 57.139 7.594 -2.073 38 HD2 LYS 4 HD2 LYS 4 58.130 6.567 -4.769 39 HD3 LYS 4 HD1 LYS 4 56.484 7.122 -4.384 40 HE2 LYS 4 HE2 LYS 4 59.033 8.757 -4.569 41 HE3 LYS 4 HE1 LYS 4 57.496 8.996 -5.432 42 HZ1 LYS 4 HZ1 LYS 4 57.204 10.520 -3.811 43 HZ2 LYS 4 HZ2 LYS 4 58.247 9.747 -2.715 44 HZ3 LYS 4 HZ3 LYS 4 56.659 9.181 -2.924 45 H ARG 5 HN ARG 5 59.543 5.947 1.475 46 HA ARG 5 HA ARG 5 58.529 6.751 3.391 47 HB2 ARG 5 HB2 ARG 5 59.854 8.828 2.682 48 HB3 ARG 5 HB1 ARG 5 58.332 9.450 2.001 49 HG2 ARG 5 HG2 ARG 5 57.248 9.150 4.240 50 HG3 ARG 5 HG1 ARG 5 58.823 8.649 4.902 51 HD2 ARG 5 HD2 ARG 5 59.774 10.854 4.099 52 HD3 ARG 5 HD1 ARG 5 58.117 11.349 3.678 53 HE ARG 5 HE ARG 5 59.201 11.519 6.281 54 HH11 ARG 5 HH11 ARG 5 57.990 9.721 7.733 55 HH12 ARG 5 HH12 ARG 5 56.284 10.021 7.756 56 HH21 ARG 5 HH21 ARG 5 56.347 12.101 4.981 57 HH22 ARG 5 HH22 ARG 5 55.354 11.370 6.197 58 H LYS 6 HN LYS 6 56.512 6.722 4.223 59 HA LYS 6 HA LYS 6 54.301 6.067 2.650 60 HB2 LYS 6 HB2 LYS 6 54.286 7.558 5.303 61 HB3 LYS 6 HB1 LYS 6 52.924 6.640 4.612 62 HG2 LYS 6 HG2 LYS 6 54.371 4.591 4.593 63 HG3 LYS 6 HG1 LYS 6 55.647 5.519 5.412 64 HD2 LYS 6 HD2 LYS 6 52.819 5.161 6.506 65 HD3 LYS 6 HD1 LYS 6 54.200 4.145 6.974 66 HE2 LYS 6 HE2 LYS 6 55.382 6.420 7.556 67 HE3 LYS 6 HE1 LYS 6 53.731 7.089 7.539 68 HZ1 LYS 6 HZ1 LYS 6 54.750 6.079 9.706 69 HZ2 LYS 6 HZ2 LYS 6 54.240 4.607 9.029 70 HZ3 LYS 6 HZ3 LYS 6 53.113 5.842 9.331 71 H TRP 7 HN TRP 7 54.197 7.398 0.799 72 HA TRP 7 HA TRP 7 52.494 9.726 1.150 73 HB2 TRP 7 HB2 TRP 7 54.686 10.733 1.736 74 HB3 TRP 7 HB1 TRP 7 55.334 10.207 0.164 75 HD1 TRP 7 HD1 TRP 7 52.369 12.321 1.509 76 HE1 TRP 7 HE1 TRP 7 51.914 14.278 -0.142 77 HE3 TRP 7 HE3 TRP 7 55.842 11.177 -2.074 78 HZ2 TRP 7 HZ2 TRP 7 52.941 15.194 -2.671 79 HZ3 TRP 7 HZ3 TRP 7 56.086 12.607 -4.098 80 HH2 TRP 7 HH2 TRP 7 54.640 14.612 -4.400 81 H LEU 8 HN LEU 8 53.966 7.240 -0.632 82 HA LEU 8 HA LEU 8 53.848 8.055 -3.292 83 HB2 LEU 8 HB2 LEU 8 52.604 5.364 -2.817 84 HB3 LEU 8 HB1 LEU 8 53.983 5.824 -3.835 85 HG LEU 8 HG LEU 8 55.209 6.221 -1.503 86 HD11 LEU 8 HD11 LEU 8 53.236 4.056 -0.661 87 HD12 LEU 8 HD12 LEU 8 52.944 5.766 -0.288 88 HD13 LEU 8 HD13 LEU 8 54.394 4.957 0.345 89 HD21 LEU 8 HD21 LEU 8 55.962 3.865 -1.526 90 HD22 LEU 8 HD22 LEU 8 55.819 4.487 -3.187 91 HD23 LEU 8 HD23 LEU 8 54.562 3.415 -2.527 92 H ARG 9 HN ARG 9 51.117 6.177 -1.901 93 HA ARG 9 HA ARG 9 49.058 8.051 -2.341 94 HB2 ARG 9 HB2 ARG 9 50.091 6.896 -4.841 95 HB3 ARG 9 HB1 ARG 9 48.399 6.420 -4.620 96 HG2 ARG 9 HG2 ARG 9 49.263 9.325 -4.276 97 HG3 ARG 9 HG1 ARG 9 48.897 8.653 -5.878 98 HD2 ARG 9 HD2 ARG 9 46.947 8.335 -3.571 99 HD3 ARG 9 HD1 ARG 9 46.962 9.804 -4.575 100 HE ARG 9 HE ARG 9 45.958 7.200 -5.390 101 HH11 ARG 9 HH11 ARG 9 47.390 6.982 -7.627 102 HH12 ARG 9 HH12 ARG 9 46.901 8.225 -8.729 103 HH21 ARG 9 HH21 ARG 9 45.369 10.155 -6.291 104 HH22 ARG 9 HH22 ARG 9 45.755 10.020 -7.973 105 H ARG 10 HN ARG 10 50.135 5.599 -0.856 106 HA ARG 10 HA ARG 10 48.459 3.374 -1.146 107 HB2 ARG 10 HB2 ARG 10 48.638 3.393 1.545 108 HB3 ARG 10 HB1 ARG 10 50.047 3.040 0.520 109 HG2 ARG 10 HG2 ARG 10 50.927 5.233 0.761 110 HG3 ARG 10 HG1 ARG 10 49.400 5.885 1.380 111 HD2 ARG 10 HD2 ARG 10 51.233 5.462 3.126 112 HD3 ARG 10 HD1 ARG 10 49.647 4.733 3.471 113 HE ARG 10 HE ARG 10 51.092 2.776 2.066 114 HH11 ARG 10 HH11 ARG 10 52.817 1.555 2.984 115 HH12 ARG 10 HH12 ARG 10 53.094 1.687 4.689 116 HH21 ARG 10 HH21 ARG 10 50.836 4.282 5.123 117 HH22 ARG 10 HH22 ARG 10 51.972 3.231 5.900 118 H ILE 11 HN ILE 11 47.760 5.379 1.682 119 HA ILE 11 HA ILE 11 44.875 4.965 1.238 120 HB ILE 11 HB ILE 11 45.779 4.726 3.523 121 HG12 ILE 11 HG12 ILE 11 44.241 6.186 4.732 122 HG13 ILE 11 HG11 ILE 11 44.136 7.301 3.356 123 HG21 ILE 11 HG21 ILE 11 47.678 6.321 3.226 124 HG22 ILE 11 HG22 ILE 11 46.749 6.639 4.709 125 HG23 ILE 11 HG23 ILE 11 46.523 7.673 3.280 126 HD11 ILE 11 HD1 ILE 11 43.373 4.381 3.013 127 HD12 ILE 11 HD2 ILE 11 42.838 5.796 2.074 128 HD13 ILE 11 HD3 ILE 11 42.217 5.535 3.719 129 H GLY 12 HN GLY 12 47.275 7.342 0.569 130 HA2 GLY 12 HA1 GLY 12 45.825 9.747 0.753 131 HA3 GLY 12 HA2 GLY 12 47.083 9.411 -0.457 132 H LYS 13 HN LYS 13 45.877 7.318 -1.859 133 HA LYS 13 HA LYS 13 44.379 8.609 -3.814 134 HB2 LYS 13 HB2 LYS 13 45.264 6.287 -3.985 135 HB3 LYS 13 HB1 LYS 13 43.981 5.740 -2.879 136 HG2 LYS 13 HG2 LYS 13 42.252 6.352 -4.435 137 HG3 LYS 13 HG1 LYS 13 43.405 7.223 -5.475 138 HD2 LYS 13 HD2 LYS 13 42.813 4.974 -6.394 139 HD3 LYS 13 HD1 LYS 13 44.548 5.120 -6.027 140 HE2 LYS 13 HE2 LYS 13 44.379 3.759 -4.095 141 HE3 LYS 13 HE1 LYS 13 42.619 3.989 -3.968 142 HZ1 LYS 13 HZ1 LYS 13 42.677 1.945 -4.924 143 HZ2 LYS 13 HZ2 LYS 13 44.153 2.213 -5.723 144 HZ3 LYS 13 HZ3 LYS 13 42.717 2.877 -6.342 145 H GLY 14 HN GLY 14 43.420 7.775 -0.616 146 HA2 GLY 14 HA1 GLY 14 40.513 7.992 -1.231 147 HA3 GLY 14 HA2 GLY 14 41.246 7.504 0.309 148 H VAL 15 HN VAL 15 43.092 9.604 0.685 149 HA VAL 15 HA VAL 15 41.164 11.877 1.181 150 HB VAL 15 HB VAL 15 42.861 12.580 2.934 151 HG11 VAL 15 HG11 VAL 15 40.802 11.399 3.547 152 HG12 VAL 15 HG12 VAL 15 42.149 10.812 4.552 153 HG13 VAL 15 HG13 VAL 15 41.563 9.832 3.186 154 HG21 VAL 15 HG21 VAL 15 43.991 9.828 2.249 155 HG22 VAL 15 HG22 VAL 15 44.384 10.724 3.733 156 HG23 VAL 15 HG23 VAL 15 44.838 11.392 2.149 157 H LYS 16 HN LYS 16 44.522 11.113 0.178 158 HA LYS 16 HA LYS 16 45.313 13.792 -0.366 159 HB2 LYS 16 HB2 LYS 16 46.814 11.765 -0.298 160 HB3 LYS 16 HB1 LYS 16 46.182 11.314 -1.900 161 HG2 LYS 16 HG2 LYS 16 46.961 13.440 -2.846 162 HG3 LYS 16 HG1 LYS 16 47.517 13.977 -1.242 163 HD2 LYS 16 HD2 LYS 16 49.117 12.094 -1.155 164 HD3 LYS 16 HD1 LYS 16 48.556 11.536 -2.750 165 HE2 LYS 16 HE2 LYS 16 49.872 14.220 -2.138 166 HE3 LYS 16 HE1 LYS 16 50.615 12.855 -3.008 167 HZ1 LYS 16 HZ1 LYS 16 48.307 14.523 -3.862 168 HZ2 LYS 16 HZ2 LYS 16 48.712 13.053 -4.612 169 HZ3 LYS 16 HZ3 LYS 16 49.810 14.350 -4.630 170 H ILE 17 HN ILE 17 43.251 11.564 -2.142 171 HA ILE 17 HA ILE 17 43.449 12.952 -4.679 172 HB ILE 17 HB ILE 17 42.592 10.541 -4.195 173 HG12 ILE 17 HG12 ILE 17 40.727 10.898 -6.099 174 HG13 ILE 17 HG11 ILE 17 41.412 12.535 -6.159 175 HG21 ILE 17 HG21 ILE 17 40.339 10.195 -3.587 176 HG22 ILE 17 HG22 ILE 17 39.873 11.868 -3.947 177 HG23 ILE 17 HG23 ILE 17 40.849 11.509 -2.504 178 HD11 ILE 17 HD1 ILE 17 43.659 11.599 -6.578 179 HD12 ILE 17 HD2 ILE 17 42.502 11.002 -7.788 180 HD13 ILE 17 HD3 ILE 17 43.009 9.950 -6.445 181 H ILE 18 HN ILE 18 42.901 14.621 -2.226 182 HA ILE 18 HA ILE 18 41.661 16.498 -1.720 183 HB ILE 18 HB ILE 18 40.414 16.314 -4.495 184 HG12 ILE 18 HG12 ILE 18 43.110 17.496 -3.675 185 HG13 ILE 18 HG11 ILE 18 42.877 16.049 -4.683 186 HG21 ILE 18 HG21 ILE 18 39.613 18.003 -2.723 187 HG22 ILE 18 HG22 ILE 18 40.142 18.683 -4.279 188 HG23 ILE 18 HG23 ILE 18 41.220 18.755 -2.863 189 HD11 ILE 18 HD1 ILE 18 41.469 17.598 -6.234 190 HD12 ILE 18 HD2 ILE 18 43.238 17.790 -6.255 191 HD13 ILE 18 HD3 ILE 18 42.232 18.940 -5.346 192 H GLY 19 HN GLY 19 40.397 15.617 -0.127 193 HA2 GLY 19 HA1 GLY 19 37.615 15.741 -0.400 194 HA3 GLY 19 HA2 GLY 19 38.042 14.043 -0.692 195 H GLY 20 HN GLY 20 40.398 15.289 1.275 196 HA2 GLY 20 HA1 GLY 20 39.017 15.265 3.820 197 HA3 GLY 20 HA2 GLY 20 39.812 13.712 3.499 198 H ALA 21 HN ALA 21 41.993 14.905 1.948 199 HA ALA 21 HA ALA 21 43.750 15.494 4.193 200 HB1 ALA 21 HB1 ALA 21 44.304 15.807 1.225 201 HB2 ALA 21 HB2 ALA 21 44.415 14.263 2.103 202 HB3 ALA 21 HB3 ALA 21 45.494 15.612 2.533 203 H ALA 22 HN ALA 22 42.315 17.367 1.512 204 HA ALA 22 HA ALA 22 43.655 19.837 2.304 205 HB1 ALA 22 HB1 ALA 22 41.186 19.521 0.571 206 HB2 ALA 22 HB2 ALA 22 42.844 19.262 -0.022 207 HB3 ALA 22 HB3 ALA 22 42.351 20.864 0.576 208 H LEU 23 HN LEU 23 40.898 18.082 3.379 209 HA LEU 23 HA LEU 23 39.301 20.315 4.279 210 HB2 LEU 23 HB2 LEU 23 39.444 17.377 5.021 211 HB3 LEU 23 HB1 LEU 23 38.338 18.482 5.856 212 HG LEU 23 HG LEU 23 37.367 17.172 3.876 213 HD11 LEU 23 HD11 LEU 23 35.913 18.926 3.239 214 HD12 LEU 23 HD12 LEU 23 37.164 20.173 3.413 215 HD13 LEU 23 HD13 LEU 23 36.467 19.406 4.856 216 HD21 LEU 23 HD21 LEU 23 37.887 17.870 1.630 217 HD22 LEU 23 HD22 LEU 23 39.431 17.510 2.434 218 HD23 LEU 23 HD23 LEU 23 38.918 19.198 2.206 219 H ASP 24 HN ASP 24 42.364 19.520 5.120 220 HA ASP 24 HA ASP 24 42.234 21.094 7.572 221 HB2 ASP 24 HB2 ASP 24 41.479 18.916 8.461 222 HB3 ASP 24 HB1 ASP 24 42.938 18.140 7.797 223 H HIS 25 HN HIS 25 44.208 18.527 6.001 224 HA HIS 25 HA HIS 25 46.439 18.524 5.380 225 HB2 HIS 25 HB2 HIS 25 45.594 20.439 3.959 226 HB3 HIS 25 HB1 HIS 25 46.164 21.551 5.228 227 HD1 HIS 25 HD1 HIS 25 48.802 21.425 5.810 228 HD2 HIS 25 HD2 HIS 25 47.589 19.645 2.200 229 HE1 HIS 25 HE1 HIS 25 50.901 21.055 4.400 230 H LEU 26 HN LEU 26 48.620 18.987 6.075 231 HA LEU 26 HA LEU 26 48.742 19.356 8.967 232 HB2 LEU 26 HB2 LEU 26 51.114 19.294 7.072 233 HB3 LEU 26 HB1 LEU 26 51.033 18.764 8.769 234 HG LEU 26 HG LEU 26 49.622 17.461 6.396 235 HD11 LEU 26 HD11 LEU 26 52.058 17.032 6.518 236 HD12 LEU 26 HD12 LEU 26 51.133 15.564 6.913 237 HD13 LEU 26 HD13 LEU 26 51.887 16.519 8.212 238 HD21 LEU 26 HD21 LEU 26 48.170 17.179 8.278 239 HD22 LEU 26 HD22 LEU 26 49.534 16.941 9.398 240 HD23 LEU 26 HD23 LEU 26 49.124 15.681 8.209 Start of MODEL 22 1 H1 GLY 1 HT1 GLY 1 55.342 -0.248 -1.621 2 H2 GLY 1 HT2 GLY 1 56.994 -0.046 -1.967 3 H3 GLY 1 HT3 GLY 1 55.944 -0.669 -3.149 4 HA2 GLY 1 HA1 GLY 1 55.915 1.377 -3.913 5 HA3 GLY 1 HA2 GLY 1 54.733 1.607 -2.609 6 H ARG 2 HN ARG 2 58.104 0.933 -1.919 7 HA ARG 2 HA ARG 2 58.318 3.456 -0.440 8 HB2 ARG 2 HB2 ARG 2 60.483 1.410 -1.059 9 HB3 ARG 2 HB1 ARG 2 60.491 2.633 0.235 10 HG2 ARG 2 HG2 ARG 2 58.441 1.554 1.205 11 HG3 ARG 2 HG1 ARG 2 58.573 0.277 -0.027 12 HD2 ARG 2 HD2 ARG 2 59.644 -0.538 1.987 13 HD3 ARG 2 HD1 ARG 2 60.925 -0.168 0.808 14 HE ARG 2 HE ARG 2 60.552 2.170 2.349 15 HH11 ARG 2 HH11 ARG 2 62.296 2.592 3.767 16 HH12 ARG 2 HH12 ARG 2 62.961 1.281 4.682 17 HH21 ARG 2 HH21 ARG 2 61.045 -1.141 3.102 18 HH22 ARG 2 HH22 ARG 2 62.253 -0.833 4.304 19 H ARG 3 HN ARG 3 57.793 4.008 -3.127 20 HA ARG 3 HA ARG 3 60.213 4.491 -4.631 21 HB2 ARG 3 HB2 ARG 3 57.930 4.360 -5.631 22 HB3 ARG 3 HB1 ARG 3 57.520 5.897 -4.832 23 HG2 ARG 3 HG2 ARG 3 59.268 7.068 -6.061 24 HG3 ARG 3 HG1 ARG 3 59.858 5.540 -6.758 25 HD2 ARG 3 HD2 ARG 3 58.482 6.631 -8.430 26 HD3 ARG 3 HD1 ARG 3 57.573 5.233 -7.809 27 HE ARG 3 HE ARG 3 56.804 7.428 -6.220 28 HH11 ARG 3 HH11 ARG 3 56.937 6.683 -9.581 29 HH12 ARG 3 HH12 ARG 3 55.455 7.498 -9.958 30 HH21 ARG 3 HH21 ARG 3 54.812 8.408 -6.674 31 HH22 ARG 3 HH22 ARG 3 54.252 8.472 -8.311 32 H LYS 4 HN LYS 4 58.302 6.378 -2.309 33 HA LYS 4 HA LYS 4 60.595 8.126 -1.807 34 HB2 LYS 4 HB2 LYS 4 59.183 10.230 -2.325 35 HB3 LYS 4 HB1 LYS 4 59.884 9.356 -3.708 36 HG2 LYS 4 HG2 LYS 4 57.802 8.323 -4.260 37 HG3 LYS 4 HG1 LYS 4 57.075 8.766 -2.698 38 HD2 LYS 4 HD2 LYS 4 56.221 10.257 -4.448 39 HD3 LYS 4 HD1 LYS 4 57.251 11.179 -3.330 40 HE2 LYS 4 HE2 LYS 4 58.411 9.960 -5.861 41 HE3 LYS 4 HE1 LYS 4 57.589 11.538 -5.894 42 HZ1 LYS 4 HZ1 LYS 4 59.239 11.706 -3.733 43 HZ2 LYS 4 HZ2 LYS 4 59.537 12.371 -5.268 44 HZ3 LYS 4 HZ3 LYS 4 60.176 10.851 -4.860 45 H ARG 5 HN ARG 5 59.983 6.804 0.149 46 HA ARG 5 HA ARG 5 59.128 6.772 2.296 47 HB2 ARG 5 HB2 ARG 5 59.783 9.272 2.063 48 HB3 ARG 5 HB1 ARG 5 58.052 9.573 1.833 49 HG2 ARG 5 HG2 ARG 5 58.387 9.859 4.170 50 HG3 ARG 5 HG1 ARG 5 57.674 8.240 4.011 51 HD2 ARG 5 HD2 ARG 5 60.694 8.441 3.993 52 HD3 ARG 5 HD1 ARG 5 59.847 8.662 5.538 53 HE ARG 5 HE ARG 5 58.750 6.342 4.384 54 HH11 ARG 5 HH11 ARG 5 61.970 7.415 4.839 55 HH12 ARG 5 HH12 ARG 5 62.524 5.923 5.521 56 HH21 ARG 5 HH21 ARG 5 59.387 4.449 5.514 57 HH22 ARG 5 HH22 ARG 5 61.062 4.244 5.905 58 H LYS 6 HN LYS 6 57.381 5.826 3.119 59 HA LYS 6 HA LYS 6 55.113 5.270 1.535 60 HB2 LYS 6 HB2 LYS 6 54.048 4.666 3.823 61 HB3 LYS 6 HB1 LYS 6 55.532 3.814 3.344 62 HG2 LYS 6 HG2 LYS 6 56.895 5.294 4.737 63 HG3 LYS 6 HG1 LYS 6 55.477 6.286 5.132 64 HD2 LYS 6 HD2 LYS 6 55.823 4.812 7.005 65 HD3 LYS 6 HD1 LYS 6 54.409 4.195 6.122 66 HE2 LYS 6 HE2 LYS 6 55.630 2.379 5.197 67 HE3 LYS 6 HE1 LYS 6 57.203 3.137 5.544 68 HZ1 LYS 6 HZ1 LYS 6 56.167 2.995 7.990 69 HZ2 LYS 6 HZ2 LYS 6 57.123 1.767 7.308 70 HZ3 LYS 6 HZ3 LYS 6 55.429 1.635 7.295 71 H TRP 7 HN TRP 7 54.501 7.286 0.611 72 HA TRP 7 HA TRP 7 52.239 8.481 1.932 73 HB2 TRP 7 HB2 TRP 7 53.979 9.626 3.265 74 HB3 TRP 7 HB1 TRP 7 54.746 10.205 1.767 75 HD1 TRP 7 HD1 TRP 7 51.374 10.469 3.648 76 HE1 TRP 7 HE1 TRP 7 50.262 12.751 3.077 77 HE3 TRP 7 HE3 TRP 7 54.756 12.173 0.204 78 HZ2 TRP 7 HZ2 TRP 7 50.799 14.993 1.349 79 HZ3 TRP 7 HZ3 TRP 7 54.437 14.384 -0.893 80 HH2 TRP 7 HH2 TRP 7 52.463 15.795 -0.325 81 H LEU 8 HN LEU 8 53.710 7.414 -0.626 82 HA LEU 8 HA LEU 8 53.484 9.571 -2.532 83 HB2 LEU 8 HB2 LEU 8 53.899 7.897 -4.222 84 HB3 LEU 8 HB1 LEU 8 54.955 7.582 -2.832 85 HG LEU 8 HG LEU 8 52.319 6.126 -3.382 86 HD11 LEU 8 HD11 LEU 8 53.716 4.253 -4.079 87 HD12 LEU 8 HD12 LEU 8 55.193 5.181 -3.725 88 HD13 LEU 8 HD13 LEU 8 54.124 5.682 -5.057 89 HD21 LEU 8 HD21 LEU 8 54.470 5.898 -1.236 90 HD22 LEU 8 HD22 LEU 8 53.466 4.496 -1.676 91 HD23 LEU 8 HD23 LEU 8 52.702 5.965 -1.038 92 H ARG 9 HN ARG 9 51.258 6.979 -1.481 93 HA ARG 9 HA ARG 9 48.943 8.452 -2.237 94 HB2 ARG 9 HB2 ARG 9 50.258 7.096 -4.464 95 HB3 ARG 9 HB1 ARG 9 48.686 6.327 -4.188 96 HG2 ARG 9 HG2 ARG 9 48.985 9.358 -4.392 97 HG3 ARG 9 HG1 ARG 9 48.748 8.328 -5.819 98 HD2 ARG 9 HD2 ARG 9 46.654 7.440 -4.846 99 HD3 ARG 9 HD1 ARG 9 46.892 8.452 -3.404 100 HE ARG 9 HE ARG 9 45.859 10.149 -4.659 101 HH11 ARG 9 HH11 ARG 9 46.834 11.663 -6.324 102 HH12 ARG 9 HH12 ARG 9 46.908 10.999 -7.922 103 HH21 ARG 9 HH21 ARG 9 46.338 7.741 -6.884 104 HH22 ARG 9 HH22 ARG 9 46.627 8.781 -8.239 105 H ARG 10 HN ARG 10 50.245 6.531 -0.274 106 HA ARG 10 HA ARG 10 48.896 4.058 -0.201 107 HB2 ARG 10 HB2 ARG 10 49.001 4.588 2.448 108 HB3 ARG 10 HB1 ARG 10 50.463 4.213 1.509 109 HG2 ARG 10 HG2 ARG 10 51.145 6.467 1.397 110 HG3 ARG 10 HG1 ARG 10 49.517 7.091 1.741 111 HD2 ARG 10 HD2 ARG 10 51.109 7.308 3.683 112 HD3 ARG 10 HD1 ARG 10 49.660 6.346 4.058 113 HE ARG 10 HE ARG 10 51.771 4.612 3.152 114 HH11 ARG 10 HH11 ARG 10 51.859 3.034 4.915 115 HH12 ARG 10 HH12 ARG 10 52.204 3.661 6.493 116 HH21 ARG 10 HH21 ARG 10 51.748 6.971 5.565 117 HH22 ARG 10 HH22 ARG 10 52.140 5.890 6.861 118 H ILE 11 HN ILE 11 47.909 6.440 2.222 119 HA ILE 11 HA ILE 11 45.102 5.607 1.877 120 HB ILE 11 HB ILE 11 45.976 5.939 4.160 121 HG12 ILE 11 HG12 ILE 11 44.261 7.436 5.052 122 HG13 ILE 11 HG11 ILE 11 44.047 8.211 3.470 123 HG21 ILE 11 HG21 ILE 11 47.690 7.645 3.558 124 HG22 ILE 11 HG22 ILE 11 46.687 8.160 4.934 125 HG23 ILE 11 HG23 ILE 11 46.395 8.840 3.315 126 HD11 ILE 11 HD1 ILE 11 43.649 5.214 3.765 127 HD12 ILE 11 HD2 ILE 11 42.964 6.322 2.550 128 HD13 ILE 11 HD3 ILE 11 42.348 6.342 4.218 129 H GLY 12 HN GLY 12 47.205 8.155 0.823 130 HA2 GLY 12 HA1 GLY 12 45.387 10.287 0.497 131 HA3 GLY 12 HA2 GLY 12 46.776 9.963 -0.561 132 H LYS 13 HN LYS 13 45.920 7.385 -1.451 133 HA LYS 13 HA LYS 13 44.509 7.977 -3.781 134 HB2 LYS 13 HB2 LYS 13 45.627 5.813 -3.284 135 HB3 LYS 13 HB1 LYS 13 44.318 5.422 -2.143 136 HG2 LYS 13 HG2 LYS 13 42.674 5.389 -3.905 137 HG3 LYS 13 HG1 LYS 13 43.825 6.082 -5.072 138 HD2 LYS 13 HD2 LYS 13 43.556 3.623 -5.384 139 HD3 LYS 13 HD1 LYS 13 45.222 4.059 -4.942 140 HE2 LYS 13 HE2 LYS 13 44.123 2.047 -3.705 141 HE3 LYS 13 HE1 LYS 13 44.973 3.259 -2.720 142 HZ1 LYS 13 HZ1 LYS 13 42.081 3.523 -3.286 143 HZ2 LYS 13 HZ2 LYS 13 42.984 4.179 -2.006 144 HZ3 LYS 13 HZ3 LYS 13 42.622 2.519 -2.031 145 H GLY 14 HN GLY 14 43.332 7.876 -0.546 146 HA2 GLY 14 HA1 GLY 14 40.483 7.662 -1.439 147 HA3 GLY 14 HA2 GLY 14 41.087 7.485 0.217 148 H VAL 15 HN VAL 15 42.702 9.763 0.474 149 HA VAL 15 HA VAL 15 40.553 11.881 0.436 150 HB VAL 15 HB VAL 15 42.024 13.032 2.135 151 HG11 VAL 15 HG11 VAL 15 40.104 11.693 2.843 152 HG12 VAL 15 HG12 VAL 15 41.454 11.425 3.971 153 HG13 VAL 15 HG13 VAL 15 41.068 10.201 2.740 154 HG21 VAL 15 HG21 VAL 15 43.739 11.576 3.262 155 HG22 VAL 15 HG22 VAL 15 44.176 12.001 1.591 156 HG23 VAL 15 HG23 VAL 15 43.531 10.384 1.960 157 H LYS 16 HN LYS 16 43.978 11.272 -0.387 158 HA LYS 16 HA LYS 16 44.470 13.964 -1.316 159 HB2 LYS 16 HB2 LYS 16 46.225 12.263 -0.678 160 HB3 LYS 16 HB1 LYS 16 45.870 11.415 -2.202 161 HG2 LYS 16 HG2 LYS 16 46.427 13.455 -3.481 162 HG3 LYS 16 HG1 LYS 16 46.762 14.322 -1.962 163 HD2 LYS 16 HD2 LYS 16 48.620 12.867 -1.445 164 HD3 LYS 16 HD1 LYS 16 48.201 11.766 -2.780 165 HE2 LYS 16 HE2 LYS 16 50.078 13.219 -3.438 166 HE3 LYS 16 HE1 LYS 16 48.636 13.602 -4.407 167 HZ1 LYS 16 HZ1 LYS 16 49.580 15.636 -3.655 168 HZ2 LYS 16 HZ2 LYS 16 49.676 15.089 -2.050 169 HZ3 LYS 16 HZ3 LYS 16 48.162 15.390 -2.759 170 H ILE 17 HN ILE 17 43.158 11.032 -2.809 171 HA ILE 17 HA ILE 17 43.443 11.540 -5.519 172 HB ILE 17 HB ILE 17 42.267 9.569 -4.633 173 HG12 ILE 17 HG12 ILE 17 40.417 11.182 -6.454 174 HG13 ILE 17 HG11 ILE 17 41.901 10.375 -7.007 175 HG21 ILE 17 HG21 ILE 17 41.002 10.949 -2.874 176 HG22 ILE 17 HG22 ILE 17 40.073 9.668 -3.685 177 HG23 ILE 17 HG23 ILE 17 39.857 11.366 -4.169 178 HD11 ILE 17 HD1 ILE 17 40.921 8.214 -6.000 179 HD12 ILE 17 HD2 ILE 17 40.129 8.838 -7.465 180 HD13 ILE 17 HD3 ILE 17 39.383 9.101 -5.872 181 H ILE 18 HN ILE 18 41.539 13.358 -3.205 182 HA ILE 18 HA ILE 18 40.797 15.272 -5.403 183 HB ILE 18 HB ILE 18 38.941 14.189 -3.231 184 HG12 ILE 18 HG12 ILE 18 38.290 14.466 -6.194 185 HG13 ILE 18 HG11 ILE 18 39.291 13.106 -5.657 186 HG21 ILE 18 HG21 ILE 18 38.543 16.543 -3.196 187 HG22 ILE 18 HG22 ILE 18 37.303 15.909 -4.296 188 HG23 ILE 18 HG23 ILE 18 38.757 16.692 -4.954 189 HD11 ILE 18 HD1 ILE 18 36.471 13.773 -4.710 190 HD12 ILE 18 HD2 ILE 18 37.491 12.508 -3.988 191 HD13 ILE 18 HD3 ILE 18 36.978 12.377 -5.685 192 H GLY 19 HN GLY 19 40.015 15.159 -1.914 193 HA2 GLY 19 HA1 GLY 19 42.067 16.649 -0.823 194 HA3 GLY 19 HA2 GLY 19 41.037 17.877 -1.583 195 H GLY 20 HN GLY 20 38.969 15.446 -0.858 196 HA2 GLY 20 HA1 GLY 20 37.569 14.982 0.942 197 HA3 GLY 20 HA2 GLY 20 38.685 15.850 2.015 198 H ALA 21 HN ALA 21 38.215 17.982 -0.391 199 HA ALA 21 HA ALA 21 36.351 19.570 1.209 200 HB1 ALA 21 HB1 ALA 21 37.463 20.072 -1.573 201 HB2 ALA 21 HB2 ALA 21 38.248 20.557 -0.050 202 HB3 ALA 21 HB3 ALA 21 36.683 21.267 -0.510 203 H ALA 22 HN ALA 22 35.551 16.936 -0.192 204 HA ALA 22 HA ALA 22 32.890 17.885 -0.978 205 HB1 ALA 22 HB1 ALA 22 34.291 18.206 -3.055 206 HB2 ALA 22 HB2 ALA 22 32.910 17.097 -3.246 207 HB3 ALA 22 HB3 ALA 22 34.558 16.447 -3.067 208 H LEU 23 HN LEU 23 35.243 15.183 -1.111 209 HA LEU 23 HA LEU 23 33.128 13.177 -0.819 210 HB2 LEU 23 HB2 LEU 23 35.370 12.854 -2.007 211 HB3 LEU 23 HB1 LEU 23 36.117 12.824 -0.396 212 HG LEU 23 HG LEU 23 34.288 10.971 0.132 213 HD11 LEU 23 HD11 LEU 23 34.425 10.918 -2.919 214 HD12 LEU 23 HD12 LEU 23 32.973 11.132 -1.915 215 HD13 LEU 23 HD13 LEU 23 33.824 9.574 -1.924 216 HD21 LEU 23 HD21 LEU 23 36.675 10.447 -1.697 217 HD22 LEU 23 HD22 LEU 23 35.840 9.215 -0.718 218 HD23 LEU 23 HD23 LEU 23 36.713 10.546 0.079 219 H ASP 24 HN ASP 24 32.479 14.722 1.165 220 HA ASP 24 HA ASP 24 32.910 13.086 3.512 221 HB2 ASP 24 HB2 ASP 24 35.082 14.276 3.518 222 HB3 ASP 24 HB1 ASP 24 34.222 15.835 3.510 223 H HIS 25 HN HIS 25 31.576 15.729 1.766 224 HA HIS 25 HA HIS 25 29.975 16.805 3.969 225 HB2 HIS 25 HB2 HIS 25 30.664 18.155 1.987 226 HB3 HIS 25 HB1 HIS 25 29.629 17.132 0.962 227 HD1 HIS 25 HD1 HIS 25 27.290 17.939 0.662 228 HD2 HIS 25 HD2 HIS 25 28.972 19.305 4.266 229 HE1 HIS 25 HE1 HIS 25 25.587 19.498 1.753 230 H LEU 26 HN LEU 26 29.403 14.349 4.412 231 HA LEU 26 HA LEU 26 27.316 13.220 2.734 232 HB2 LEU 26 HB2 LEU 26 27.813 12.561 5.657 233 HB3 LEU 26 HB1 LEU 26 27.164 11.507 4.378 234 HG LEU 26 HG LEU 26 30.004 12.609 4.544 235 HD11 LEU 26 HD11 LEU 26 28.882 9.782 4.793 236 HD12 LEU 26 HD12 LEU 26 29.508 10.773 6.132 237 HD13 LEU 26 HD13 LEU 26 30.605 10.224 4.843 238 HD21 LEU 26 HD21 LEU 26 29.486 12.476 2.215 239 HD22 LEU 26 HD22 LEU 26 28.530 10.988 2.427 240 HD23 LEU 26 HD23 LEU 26 30.304 10.939 2.578 Start of MODEL 23 1 H1 GLY 1 HT1 GLY 1 53.139 1.068 3.618 2 H2 GLY 1 HT2 GLY 1 52.809 -0.214 2.551 3 H3 GLY 1 HT3 GLY 1 51.930 1.236 2.442 4 HA2 GLY 1 HA1 GLY 1 54.014 0.608 0.931 5 HA3 GLY 1 HA2 GLY 1 53.451 2.257 1.264 6 H ARG 2 HN ARG 2 56.058 1.866 0.582 7 HA ARG 2 HA ARG 2 57.412 3.012 2.864 8 HB2 ARG 2 HB2 ARG 2 57.356 0.565 3.513 9 HB3 ARG 2 HB1 ARG 2 58.350 0.227 2.076 10 HG2 ARG 2 HG2 ARG 2 60.133 1.672 2.902 11 HG3 ARG 2 HG1 ARG 2 59.126 2.193 4.275 12 HD2 ARG 2 HD2 ARG 2 59.051 -0.158 5.093 13 HD3 ARG 2 HD1 ARG 2 60.103 -0.648 3.744 14 HE ARG 2 HE ARG 2 61.919 0.189 4.988 15 HH11 ARG 2 HH11 ARG 2 60.465 -0.015 7.545 16 HH12 ARG 2 HH12 ARG 2 60.518 1.605 8.155 17 HH21 ARG 2 HH21 ARG 2 61.346 3.010 5.094 18 HH22 ARG 2 HH22 ARG 2 61.016 3.319 6.766 19 H ARG 3 HN ARG 3 57.220 1.836 -0.372 20 HA ARG 3 HA ARG 3 59.845 2.190 -1.326 21 HB2 ARG 3 HB2 ARG 3 57.221 2.887 -2.707 22 HB3 ARG 3 HB1 ARG 3 58.791 2.671 -3.517 23 HG2 ARG 3 HG2 ARG 3 58.912 0.345 -2.714 24 HG3 ARG 3 HG1 ARG 3 57.372 0.550 -1.846 25 HD2 ARG 3 HD2 ARG 3 57.784 0.756 -4.862 26 HD3 ARG 3 HD1 ARG 3 56.967 -0.568 -3.996 27 HE ARG 3 HE ARG 3 55.590 1.737 -3.230 28 HH11 ARG 3 HH11 ARG 3 53.436 1.267 -4.182 29 HH12 ARG 3 HH12 ARG 3 53.357 1.331 -5.911 30 HH21 ARG 3 HH21 ARG 3 56.800 1.346 -6.331 31 HH22 ARG 3 HH22 ARG 3 55.262 1.374 -7.129 32 H LYS 4 HN LYS 4 57.532 4.556 -0.217 33 HA LYS 4 HA LYS 4 59.554 6.704 -0.688 34 HB2 LYS 4 HB2 LYS 4 56.642 7.094 -1.475 35 HB3 LYS 4 HB1 LYS 4 58.018 8.183 -1.769 36 HG2 LYS 4 HG2 LYS 4 59.054 6.369 -3.193 37 HG3 LYS 4 HG1 LYS 4 57.543 5.443 -3.014 38 HD2 LYS 4 HD2 LYS 4 56.265 7.298 -4.019 39 HD3 LYS 4 HD1 LYS 4 57.758 8.257 -4.170 40 HE2 LYS 4 HE2 LYS 4 57.047 7.038 -6.290 41 HE3 LYS 4 HE1 LYS 4 58.704 6.687 -5.741 42 HZ1 LYS 4 HZ1 LYS 4 57.481 4.671 -6.340 43 HZ2 LYS 4 HZ2 LYS 4 56.307 5.016 -5.162 44 HZ3 LYS 4 HZ3 LYS 4 57.905 4.672 -4.699 45 H ARG 5 HN ARG 5 59.035 5.473 1.715 46 HA ARG 5 HA ARG 5 58.322 5.897 3.885 47 HB2 ARG 5 HB2 ARG 5 58.506 8.730 2.789 48 HB3 ARG 5 HB1 ARG 5 58.251 8.351 4.510 49 HG2 ARG 5 HG2 ARG 5 60.356 6.965 4.457 50 HG3 ARG 5 HG1 ARG 5 60.632 7.527 2.791 51 HD2 ARG 5 HD2 ARG 5 60.324 9.354 5.214 52 HD3 ARG 5 HD1 ARG 5 61.879 8.886 4.485 53 HE ARG 5 HE ARG 5 60.139 10.001 2.475 54 HH11 ARG 5 HH11 ARG 5 59.596 12.215 4.106 55 HH12 ARG 5 HH12 ARG 5 61.022 13.198 4.062 56 HH21 ARG 5 HH21 ARG 5 63.062 10.654 2.885 57 HH22 ARG 5 HH22 ARG 5 62.984 12.314 3.370 58 H LYS 6 HN LYS 6 56.668 8.837 3.073 59 HA LYS 6 HA LYS 6 54.008 7.438 2.997 60 HB2 LYS 6 HB2 LYS 6 54.895 9.593 4.956 61 HB3 LYS 6 HB1 LYS 6 53.185 9.263 4.604 62 HG2 LYS 6 HG2 LYS 6 53.331 7.024 5.432 63 HG3 LYS 6 HG1 LYS 6 55.107 7.063 5.468 64 HD2 LYS 6 HD2 LYS 6 53.571 9.088 7.131 65 HD3 LYS 6 HD1 LYS 6 53.692 7.414 7.714 66 HE2 LYS 6 HE2 LYS 6 56.126 9.042 6.868 67 HE3 LYS 6 HE1 LYS 6 55.520 8.988 8.540 68 HZ1 LYS 6 HZ1 LYS 6 55.663 6.494 8.318 69 HZ2 LYS 6 HZ2 LYS 6 57.146 7.320 8.377 70 HZ3 LYS 6 HZ3 LYS 6 56.550 6.742 6.894 71 H TRP 7 HN TRP 7 54.320 8.033 0.715 72 HA TRP 7 HA TRP 7 52.977 10.566 0.171 73 HB2 TRP 7 HB2 TRP 7 55.267 11.421 0.431 74 HB3 TRP 7 HB1 TRP 7 55.871 10.207 -0.720 75 HD1 TRP 7 HD1 TRP 7 53.637 13.336 -0.557 76 HE1 TRP 7 HE1 TRP 7 53.447 14.381 -2.931 77 HE3 TRP 7 HE3 TRP 7 56.094 9.724 -3.224 78 HZ2 TRP 7 HZ2 TRP 7 54.266 13.710 -5.610 79 HZ3 TRP 7 HZ3 TRP 7 56.380 9.948 -5.688 80 HH2 TRP 7 HH2 TRP 7 55.468 11.935 -6.882 81 H LEU 8 HN LEU 8 53.513 7.429 -0.336 82 HA LEU 8 HA LEU 8 53.310 7.398 -3.292 83 HB2 LEU 8 HB2 LEU 8 52.830 4.776 -2.442 84 HB3 LEU 8 HB1 LEU 8 54.425 5.444 -2.842 85 HG LEU 8 HG LEU 8 54.719 6.099 -0.434 86 HD11 LEU 8 HD11 LEU 8 52.166 6.134 0.007 87 HD12 LEU 8 HD12 LEU 8 53.177 5.373 1.253 88 HD13 LEU 8 HD13 LEU 8 52.272 4.362 0.100 89 HD21 LEU 8 HD21 LEU 8 54.056 3.163 -0.918 90 HD22 LEU 8 HD22 LEU 8 55.115 3.804 0.361 91 HD23 LEU 8 HD23 LEU 8 55.589 3.959 -1.347 92 H ARG 9 HN ARG 9 51.222 8.287 -1.002 93 HA ARG 9 HA ARG 9 48.910 8.310 -0.832 94 HB2 ARG 9 HB2 ARG 9 48.882 7.510 -3.762 95 HB3 ARG 9 HB1 ARG 9 47.688 8.487 -2.875 96 HG2 ARG 9 HG2 ARG 9 50.576 9.274 -3.472 97 HG3 ARG 9 HG1 ARG 9 49.121 9.944 -4.245 98 HD2 ARG 9 HD2 ARG 9 48.371 10.562 -1.820 99 HD3 ARG 9 HD1 ARG 9 50.077 10.291 -1.386 100 HE ARG 9 HE ARG 9 50.565 12.346 -2.425 101 HH11 ARG 9 HH11 ARG 9 47.321 11.482 -3.003 102 HH12 ARG 9 HH12 ARG 9 47.081 12.637 -4.271 103 HH21 ARG 9 HH21 ARG 9 50.395 13.653 -4.339 104 HH22 ARG 9 HH22 ARG 9 48.819 13.865 -5.027 105 H ARG 10 HN ARG 10 49.772 6.074 0.278 106 HA ARG 10 HA ARG 10 49.010 3.596 -0.842 107 HB2 ARG 10 HB2 ARG 10 48.845 2.799 1.492 108 HB3 ARG 10 HB1 ARG 10 50.279 3.827 1.262 109 HG2 ARG 10 HG2 ARG 10 48.687 5.793 2.039 110 HG3 ARG 10 HG1 ARG 10 47.675 4.476 2.684 111 HD2 ARG 10 HD2 ARG 10 50.549 5.142 3.420 112 HD3 ARG 10 HD1 ARG 10 49.119 5.133 4.480 113 HE ARG 10 HE ARG 10 50.728 2.825 3.800 114 HH11 ARG 10 HH11 ARG 10 48.665 1.416 2.717 115 HH12 ARG 10 HH12 ARG 10 47.590 0.987 4.006 116 HH21 ARG 10 HH21 ARG 10 48.848 3.359 6.202 117 HH22 ARG 10 HH22 ARG 10 47.693 2.088 5.978 118 H ILE 11 HN ILE 11 47.127 5.840 1.184 119 HA ILE 11 HA ILE 11 44.602 4.642 0.064 120 HB ILE 11 HB ILE 11 44.974 3.997 2.500 121 HG12 ILE 11 HG12 ILE 11 42.673 5.935 1.973 122 HG13 ILE 11 HG11 ILE 11 42.705 4.229 1.472 123 HG21 ILE 11 HG21 ILE 11 44.994 5.650 4.219 124 HG22 ILE 11 HG22 ILE 11 44.508 6.944 3.097 125 HG23 ILE 11 HG23 ILE 11 46.143 6.251 3.002 126 HD11 ILE 11 HD1 ILE 11 43.133 3.688 3.968 127 HD12 ILE 11 HD2 ILE 11 41.501 4.241 3.527 128 HD13 ILE 11 HD3 ILE 11 42.646 5.369 4.287 129 H GLY 12 HN GLY 12 46.664 7.282 0.791 130 HA2 GLY 12 HA1 GLY 12 44.820 9.434 0.894 131 HA3 GLY 12 HA2 GLY 12 46.477 9.530 0.259 132 H LYS 13 HN LYS 13 45.979 7.464 -1.771 133 HA LYS 13 HA LYS 13 45.266 9.100 -3.964 134 HB2 LYS 13 HB2 LYS 13 46.419 6.859 -4.052 135 HB3 LYS 13 HB1 LYS 13 44.845 6.097 -3.727 136 HG2 LYS 13 HG2 LYS 13 43.914 6.917 -5.785 137 HG3 LYS 13 HG1 LYS 13 45.291 8.011 -6.051 138 HD2 LYS 13 HD2 LYS 13 45.429 5.958 -7.471 139 HD3 LYS 13 HD1 LYS 13 46.801 6.097 -6.347 140 HE2 LYS 13 HE2 LYS 13 45.632 3.781 -6.543 141 HE3 LYS 13 HE1 LYS 13 45.948 4.407 -4.907 142 HZ1 LYS 13 HZ1 LYS 13 43.398 5.062 -6.229 143 HZ2 LYS 13 HZ2 LYS 13 43.746 4.887 -4.575 144 HZ3 LYS 13 HZ3 LYS 13 43.599 3.515 -5.565 145 H GLY 14 HN GLY 14 43.325 7.879 -1.472 146 HA2 GLY 14 HA1 GLY 14 40.824 8.054 -3.124 147 HA3 GLY 14 HA2 GLY 14 40.999 7.183 -1.590 148 H VAL 15 HN VAL 15 42.251 9.055 0.045 149 HA VAL 15 HA VAL 15 39.993 11.019 0.313 150 HB VAL 15 HB VAL 15 40.962 11.400 2.618 151 HG11 VAL 15 HG11 VAL 15 39.074 9.899 2.332 152 HG12 VAL 15 HG12 VAL 15 40.215 9.139 3.468 153 HG13 VAL 15 HG13 VAL 15 40.141 8.588 1.776 154 HG21 VAL 15 HG21 VAL 15 42.554 9.680 3.453 155 HG22 VAL 15 HG22 VAL 15 43.269 10.664 2.156 156 HG23 VAL 15 HG23 VAL 15 42.688 9.018 1.807 157 H LYS 16 HN LYS 16 43.579 10.906 0.083 158 HA LYS 16 HA LYS 16 43.811 13.799 0.399 159 HB2 LYS 16 HB2 LYS 16 45.700 11.615 -0.528 160 HB3 LYS 16 HB1 LYS 16 46.170 13.326 -0.594 161 HG2 LYS 16 HG2 LYS 16 45.025 12.232 1.996 162 HG3 LYS 16 HG1 LYS 16 46.705 11.839 1.573 163 HD2 LYS 16 HD2 LYS 16 47.343 14.150 1.516 164 HD3 LYS 16 HD1 LYS 16 45.651 14.698 1.544 165 HE2 LYS 16 HE2 LYS 16 46.730 14.941 3.772 166 HE3 LYS 16 HE1 LYS 16 45.376 13.787 3.822 167 HZ1 LYS 16 HZ1 LYS 16 46.842 12.380 4.701 168 HZ2 LYS 16 HZ2 LYS 16 48.175 13.347 4.285 169 HZ3 LYS 16 HZ3 LYS 16 47.530 12.253 3.156 170 H ILE 17 HN ILE 17 43.460 11.553 -2.322 171 HA ILE 17 HA ILE 17 44.253 13.102 -4.480 172 HB ILE 17 HB ILE 17 43.290 10.805 -4.635 173 HG12 ILE 17 HG12 ILE 17 41.865 12.846 -6.409 174 HG13 ILE 17 HG11 ILE 17 43.545 12.309 -6.636 175 HG21 ILE 17 HG21 ILE 17 40.568 12.164 -4.548 176 HG22 ILE 17 HG22 ILE 17 41.303 11.409 -3.114 177 HG23 ILE 17 HG23 ILE 17 40.927 10.422 -4.545 178 HD11 ILE 17 HD1 ILE 17 42.590 9.903 -6.703 179 HD12 ILE 17 HD2 ILE 17 42.265 10.943 -8.109 180 HD13 ILE 17 HD3 ILE 17 40.997 10.675 -6.893 181 H ILE 18 HN ILE 18 41.199 13.424 -2.627 182 HA ILE 18 HA ILE 18 40.978 16.206 -3.515 183 HB ILE 18 HB ILE 18 40.017 14.755 -5.436 184 HG12 ILE 18 HG12 ILE 18 38.170 16.816 -4.140 185 HG13 ILE 18 HG11 ILE 18 39.589 17.201 -5.141 186 HG21 ILE 18 HG21 ILE 18 37.989 13.617 -5.194 187 HG22 ILE 18 HG22 ILE 18 37.484 14.571 -3.783 188 HG23 ILE 18 HG23 ILE 18 38.724 13.309 -3.605 189 HD11 ILE 18 HD1 ILE 18 37.094 15.680 -5.999 190 HD12 ILE 18 HD2 ILE 18 38.559 15.833 -6.998 191 HD13 ILE 18 HD3 ILE 18 37.623 17.282 -6.563 192 H GLY 19 HN GLY 19 41.240 14.744 -1.029 193 HA2 GLY 19 HA1 GLY 19 38.886 15.920 0.356 194 HA3 GLY 19 HA2 GLY 19 39.166 14.179 0.573 195 H GLY 20 HN GLY 20 41.955 16.123 0.030 196 HA2 GLY 20 HA1 GLY 20 42.434 16.785 2.833 197 HA3 GLY 20 HA2 GLY 20 43.365 15.376 2.284 198 H ALA 21 HN ALA 21 44.059 15.973 -0.265 199 HA ALA 21 HA ALA 21 46.300 17.654 0.036 200 HB1 ALA 21 HB1 ALA 21 46.326 17.723 -2.459 201 HB2 ALA 21 HB2 ALA 21 44.709 16.979 -2.463 202 HB3 ALA 21 HB3 ALA 21 46.100 16.083 -1.805 203 H ALA 22 HN ALA 22 43.740 18.555 -2.276 204 HA ALA 22 HA ALA 22 44.291 21.368 -1.958 205 HB1 ALA 22 HB1 ALA 22 41.889 19.931 -3.144 206 HB2 ALA 22 HB2 ALA 22 43.349 20.454 -4.019 207 HB3 ALA 22 HB3 ALA 22 42.244 21.665 -3.327 208 H LEU 23 HN LEU 23 42.173 19.091 -0.355 209 HA LEU 23 HA LEU 23 40.446 21.125 0.833 210 HB2 LEU 23 HB2 LEU 23 39.841 18.680 0.417 211 HB3 LEU 23 HB1 LEU 23 40.914 18.273 1.774 212 HG LEU 23 HG LEU 23 39.482 20.078 3.103 213 HD11 LEU 23 HD11 LEU 23 37.613 19.303 0.813 214 HD12 LEU 23 HD12 LEU 23 38.162 20.942 1.233 215 HD13 LEU 23 HD13 LEU 23 37.082 20.057 2.332 216 HD21 LEU 23 HD21 LEU 23 37.844 18.291 3.722 217 HD22 LEU 23 HD22 LEU 23 39.517 17.688 3.661 218 HD23 LEU 23 HD23 LEU 23 38.394 17.334 2.327 219 H ASP 24 HN ASP 24 42.589 22.349 1.401 220 HA ASP 24 HA ASP 24 42.834 22.216 4.278 221 HB2 ASP 24 HB2 ASP 24 44.269 20.248 3.568 222 HB3 ASP 24 HB1 ASP 24 45.333 21.412 2.743 223 H HIS 25 HN HIS 25 43.813 23.368 1.126 224 HA HIS 25 HA HIS 25 45.401 25.605 2.142 225 HB2 HIS 25 HB2 HIS 25 44.143 25.159 -0.594 226 HB3 HIS 25 HB1 HIS 25 45.397 26.358 -0.194 227 HD1 HIS 25 HD1 HIS 25 45.990 23.347 1.751 228 HD2 HIS 25 HD2 HIS 25 46.914 24.630 -2.147 229 HE1 HIS 25 HE1 HIS 25 47.842 21.825 0.867 230 H LEU 26 HN LEU 26 42.737 25.350 3.314 231 HA LEU 26 HA LEU 26 41.036 27.386 2.103 232 HB2 LEU 26 HB2 LEU 26 40.904 26.443 4.987 233 HB3 LEU 26 HB1 LEU 26 39.582 27.014 3.941 234 HG LEU 26 HG LEU 26 41.165 24.424 3.629 235 HD11 LEU 26 HD11 LEU 26 39.469 24.405 5.431 236 HD12 LEU 26 HD12 LEU 26 38.957 23.379 4.070 237 HD13 LEU 26 HD13 LEU 26 38.239 24.993 4.287 238 HD21 LEU 26 HD21 LEU 26 39.371 24.024 1.805 239 HD22 LEU 26 HD22 LEU 26 40.675 25.164 1.405 240 HD23 LEU 26 HD23 LEU 26 39.071 25.776 1.875 Start of MODEL 24 1 H1 GLY 1 HT1 GLY 1 58.820 1.189 -7.122 2 H2 GLY 1 HT2 GLY 1 57.672 1.133 -8.374 3 H3 GLY 1 HT3 GLY 1 57.204 1.590 -6.806 4 HA2 GLY 1 HA1 GLY 1 59.278 3.105 -8.174 5 HA3 GLY 1 HA2 GLY 1 57.581 3.343 -8.634 6 H ARG 2 HN ARG 2 59.775 3.238 -5.812 7 HA ARG 2 HA ARG 2 58.041 4.390 -3.911 8 HB2 ARG 2 HB2 ARG 2 60.273 5.347 -2.940 9 HB3 ARG 2 HB1 ARG 2 60.093 3.583 -3.077 10 HG2 ARG 2 HG2 ARG 2 61.409 3.512 -5.093 11 HG3 ARG 2 HG1 ARG 2 61.393 5.283 -5.244 12 HD2 ARG 2 HD2 ARG 2 62.703 3.692 -2.995 13 HD3 ARG 2 HD1 ARG 2 63.553 4.505 -4.329 14 HE ARG 2 HE ARG 2 62.678 5.788 -1.932 15 HH11 ARG 2 HH11 ARG 2 60.762 7.376 -3.036 16 HH12 ARG 2 HH12 ARG 2 61.563 8.566 -4.007 17 HH21 ARG 2 HH21 ARG 2 64.541 6.798 -4.188 18 HH22 ARG 2 HH22 ARG 2 63.703 8.238 -4.659 19 H ARG 3 HN ARG 3 56.721 5.918 -4.991 20 HA ARG 3 HA ARG 3 57.618 8.163 -6.440 21 HB2 ARG 3 HB2 ARG 3 55.232 7.844 -4.579 22 HB3 ARG 3 HB1 ARG 3 55.474 9.240 -5.657 23 HG2 ARG 3 HG2 ARG 3 55.536 7.742 -7.616 24 HG3 ARG 3 HG1 ARG 3 55.333 6.328 -6.553 25 HD2 ARG 3 HD2 ARG 3 53.184 7.111 -7.625 26 HD3 ARG 3 HD1 ARG 3 53.138 7.097 -5.845 27 HE ARG 3 HE ARG 3 52.753 9.412 -5.975 28 HH11 ARG 3 HH11 ARG 3 53.143 8.460 -9.122 29 HH12 ARG 3 HH12 ARG 3 53.833 9.943 -9.693 30 HH21 ARG 3 HH21 ARG 3 54.252 11.280 -6.523 31 HH22 ARG 3 HH22 ARG 3 54.461 11.538 -8.223 32 H LYS 4 HN LYS 4 57.027 7.861 -2.908 33 HA LYS 4 HA LYS 4 59.163 9.790 -2.365 34 HB2 LYS 4 HB2 LYS 4 57.576 11.345 -1.088 35 HB3 LYS 4 HB1 LYS 4 57.528 11.453 -2.863 36 HG2 LYS 4 HG2 LYS 4 55.498 10.200 -2.998 37 HG3 LYS 4 HG1 LYS 4 55.633 9.647 -1.312 38 HD2 LYS 4 HD2 LYS 4 53.950 11.440 -1.491 39 HD3 LYS 4 HD1 LYS 4 55.341 11.990 -0.528 40 HE2 LYS 4 HE2 LYS 4 56.193 13.322 -2.310 41 HE3 LYS 4 HE1 LYS 4 55.171 12.509 -3.521 42 HZ1 LYS 4 HZ1 LYS 4 53.503 13.891 -3.085 43 HZ2 LYS 4 HZ2 LYS 4 54.588 14.828 -2.172 44 HZ3 LYS 4 HZ3 LYS 4 53.623 13.656 -1.410 45 H ARG 5 HN ARG 5 59.444 7.427 -1.508 46 HA ARG 5 HA ARG 5 59.558 6.029 0.340 47 HB2 ARG 5 HB2 ARG 5 59.262 8.755 1.656 48 HB3 ARG 5 HB1 ARG 5 59.539 7.268 2.592 49 HG2 ARG 5 HG2 ARG 5 61.671 8.452 2.093 50 HG3 ARG 5 HG1 ARG 5 61.620 6.840 1.345 51 HD2 ARG 5 HD2 ARG 5 61.315 7.718 -0.825 52 HD3 ARG 5 HD1 ARG 5 60.707 9.278 -0.218 53 HE ARG 5 HE ARG 5 63.510 8.555 -0.598 54 HH11 ARG 5 HH11 ARG 5 62.614 11.300 -1.065 55 HH12 ARG 5 HH12 ARG 5 63.155 12.146 0.345 56 HH21 ARG 5 HH21 ARG 5 63.627 9.266 2.218 57 HH22 ARG 5 HH22 ARG 5 63.728 10.995 2.204 58 H LYS 6 HN LYS 6 57.626 7.977 2.436 59 HA LYS 6 HA LYS 6 55.442 5.928 2.298 60 HB2 LYS 6 HB2 LYS 6 56.367 7.958 4.355 61 HB3 LYS 6 HB1 LYS 6 54.715 7.305 4.435 62 HG2 LYS 6 HG2 LYS 6 56.210 5.962 5.844 63 HG3 LYS 6 HG1 LYS 6 55.655 4.990 4.461 64 HD2 LYS 6 HD2 LYS 6 57.749 5.279 3.307 65 HD3 LYS 6 HD1 LYS 6 58.284 6.525 4.461 66 HE2 LYS 6 HE2 LYS 6 59.344 4.304 4.902 67 HE3 LYS 6 HE1 LYS 6 58.352 4.863 6.269 68 HZ1 LYS 6 HZ1 LYS 6 56.647 3.388 5.718 69 HZ2 LYS 6 HZ2 LYS 6 58.058 2.469 5.495 70 HZ3 LYS 6 HZ3 LYS 6 57.238 3.112 4.153 71 H TRP 7 HN TRP 7 53.215 7.015 2.959 72 HA TRP 7 HA TRP 7 51.441 8.281 2.175 73 HB2 TRP 7 HB2 TRP 7 53.482 10.470 1.658 74 HB3 TRP 7 HB1 TRP 7 51.746 10.651 2.012 75 HD1 TRP 7 HD1 TRP 7 55.007 10.728 3.669 76 HE1 TRP 7 HE1 TRP 7 54.793 10.537 6.253 77 HE3 TRP 7 HE3 TRP 7 50.131 9.193 3.963 78 HZ2 TRP 7 HZ2 TRP 7 52.761 9.812 8.161 79 HZ3 TRP 7 HZ3 TRP 7 49.077 8.758 6.176 80 HH2 TRP 7 HH2 TRP 7 50.385 9.065 8.273 81 H LEU 8 HN LEU 8 53.332 6.765 0.277 82 HA LEU 8 HA LEU 8 53.549 8.047 -2.206 83 HB2 LEU 8 HB2 LEU 8 52.583 5.203 -2.340 84 HB3 LEU 8 HB1 LEU 8 54.021 5.957 -3.063 85 HG LEU 8 HG LEU 8 54.851 6.095 -0.523 86 HD11 LEU 8 HD11 LEU 8 52.510 5.152 0.208 87 HD12 LEU 8 HD12 LEU 8 53.969 4.470 0.964 88 HD13 LEU 8 HD13 LEU 8 53.141 3.583 -0.338 89 HD21 LEU 8 HD21 LEU 8 54.766 3.501 -2.131 90 HD22 LEU 8 HD22 LEU 8 55.884 3.836 -0.788 91 HD23 LEU 8 HD23 LEU 8 55.977 4.796 -2.284 92 H ARG 9 HN ARG 9 50.836 5.918 -1.206 93 HA ARG 9 HA ARG 9 48.839 7.754 -2.203 94 HB2 ARG 9 HB2 ARG 9 50.029 5.886 -4.119 95 HB3 ARG 9 HB1 ARG 9 48.315 5.485 -3.901 96 HG2 ARG 9 HG2 ARG 9 49.246 8.342 -4.430 97 HG3 ARG 9 HG1 ARG 9 48.906 7.198 -5.748 98 HD2 ARG 9 HD2 ARG 9 46.613 6.958 -5.083 99 HD3 ARG 9 HD1 ARG 9 46.899 7.787 -3.535 100 HE ARG 9 HE ARG 9 46.458 9.775 -4.711 101 HH11 ARG 9 HH11 ARG 9 45.688 8.045 -7.154 102 HH12 ARG 9 HH12 ARG 9 46.659 8.789 -8.381 103 HH21 ARG 9 HH21 ARG 9 48.679 10.482 -6.128 104 HH22 ARG 9 HH22 ARG 9 48.354 10.168 -7.800 105 H ARG 10 HN ARG 10 49.803 5.748 -0.033 106 HA ARG 10 HA ARG 10 48.009 3.622 0.264 107 HB2 ARG 10 HB2 ARG 10 48.182 4.392 2.853 108 HB3 ARG 10 HB1 ARG 10 49.558 3.664 1.994 109 HG2 ARG 10 HG2 ARG 10 50.607 5.764 1.624 110 HG3 ARG 10 HG1 ARG 10 49.125 6.675 1.991 111 HD2 ARG 10 HD2 ARG 10 50.790 6.749 3.864 112 HD3 ARG 10 HD1 ARG 10 49.251 5.999 4.348 113 HE ARG 10 HE ARG 10 51.059 3.962 3.435 114 HH11 ARG 10 HH11 ARG 10 52.952 5.491 5.128 115 HH12 ARG 10 HH12 ARG 10 52.666 4.836 6.707 116 HH21 ARG 10 HH21 ARG 10 49.623 3.409 5.853 117 HH22 ARG 10 HH22 ARG 10 50.781 3.659 7.117 118 H ILE 11 HN ILE 11 47.419 6.399 2.397 119 HA ILE 11 HA ILE 11 44.511 6.022 2.024 120 HB ILE 11 HB ILE 11 44.363 7.870 3.754 121 HG12 ILE 11 HG12 ILE 11 47.373 7.481 4.095 122 HG13 ILE 11 HG11 ILE 11 46.733 8.765 3.051 123 HG21 ILE 11 HG21 ILE 11 45.066 6.422 5.597 124 HG22 ILE 11 HG22 ILE 11 46.150 5.512 4.516 125 HG23 ILE 11 HG23 ILE 11 44.386 5.417 4.299 126 HD11 ILE 11 HD1 ILE 11 45.345 9.568 5.023 127 HD12 ILE 11 HD2 ILE 11 47.103 9.729 5.232 128 HD13 ILE 11 HD3 ILE 11 46.233 8.404 6.036 129 H GLY 12 HN GLY 12 47.060 7.977 0.768 130 HA2 GLY 12 HA1 GLY 12 45.732 10.404 0.223 131 HA3 GLY 12 HA2 GLY 12 47.022 9.702 -0.777 132 H LYS 13 HN LYS 13 45.642 7.308 -1.513 133 HA LYS 13 HA LYS 13 44.352 8.097 -3.876 134 HB2 LYS 13 HB2 LYS 13 45.081 5.783 -3.394 135 HB3 LYS 13 HB1 LYS 13 43.789 5.630 -2.180 136 HG2 LYS 13 HG2 LYS 13 42.069 5.826 -3.849 137 HG3 LYS 13 HG1 LYS 13 43.238 6.336 -5.090 138 HD2 LYS 13 HD2 LYS 13 42.567 3.940 -5.341 139 HD3 LYS 13 HD1 LYS 13 44.310 4.128 -5.038 140 HE2 LYS 13 HE2 LYS 13 44.126 3.376 -2.798 141 HE3 LYS 13 HE1 LYS 13 42.371 3.675 -2.739 142 HZ1 LYS 13 HZ1 LYS 13 43.602 1.681 -4.566 143 HZ2 LYS 13 HZ2 LYS 13 41.965 1.848 -4.143 144 HZ3 LYS 13 HZ3 LYS 13 43.088 1.290 -2.997 145 H GLY 14 HN GLY 14 43.279 8.357 -0.643 146 HA2 GLY 14 HA1 GLY 14 40.400 8.563 -1.427 147 HA3 GLY 14 HA2 GLY 14 41.044 8.435 0.221 148 H VAL 15 HN VAL 15 42.998 10.425 0.261 149 HA VAL 15 HA VAL 15 41.231 12.853 0.067 150 HB VAL 15 HB VAL 15 42.972 13.898 1.587 151 HG11 VAL 15 HG11 VAL 15 40.904 13.053 2.528 152 HG12 VAL 15 HG12 VAL 15 42.234 12.546 3.598 153 HG13 VAL 15 HG13 VAL 15 41.502 11.378 2.471 154 HG21 VAL 15 HG21 VAL 15 44.873 12.430 1.084 155 HG22 VAL 15 HG22 VAL 15 43.966 11.013 1.668 156 HG23 VAL 15 HG23 VAL 15 44.458 12.286 2.807 157 H LYS 16 HN LYS 16 44.498 11.644 -0.791 158 HA LYS 16 HA LYS 16 45.431 14.072 -1.948 159 HB2 LYS 16 HB2 LYS 16 46.773 11.965 -1.453 160 HB3 LYS 16 HB1 LYS 16 46.079 11.258 -2.926 161 HG2 LYS 16 HG2 LYS 16 47.361 13.988 -3.210 162 HG3 LYS 16 HG1 LYS 16 48.451 12.619 -2.920 163 HD2 LYS 16 HD2 LYS 16 47.432 11.419 -4.862 164 HD3 LYS 16 HD1 LYS 16 46.411 12.840 -5.181 165 HE2 LYS 16 HE2 LYS 16 49.458 12.858 -5.116 166 HE3 LYS 16 HE1 LYS 16 48.466 12.826 -6.594 167 HZ1 LYS 16 HZ1 LYS 16 47.391 14.883 -5.233 168 HZ2 LYS 16 HZ2 LYS 16 48.593 15.043 -6.425 169 HZ3 LYS 16 HZ3 LYS 16 49.020 15.016 -4.780 170 H ILE 17 HN ILE 17 43.408 11.449 -3.208 171 HA ILE 17 HA ILE 17 43.423 12.301 -5.948 172 HB ILE 17 HB ILE 17 42.592 10.063 -4.964 173 HG12 ILE 17 HG12 ILE 17 40.718 11.467 -6.927 174 HG13 ILE 17 HG11 ILE 17 42.301 10.789 -7.365 175 HG21 ILE 17 HG21 ILE 17 39.954 11.551 -4.686 176 HG22 ILE 17 HG22 ILE 17 41.045 11.276 -3.307 177 HG23 ILE 17 HG23 ILE 17 40.344 9.891 -4.175 178 HD11 ILE 17 HD1 ILE 17 41.428 8.566 -6.358 179 HD12 ILE 17 HD2 ILE 17 40.735 9.083 -7.912 180 HD13 ILE 17 HD3 ILE 17 39.819 9.323 -6.407 181 H ILE 18 HN ILE 18 42.469 13.990 -3.292 182 HA ILE 18 HA ILE 18 41.199 15.897 -3.003 183 HB ILE 18 HB ILE 18 40.736 15.958 -6.015 184 HG12 ILE 18 HG12 ILE 18 43.149 16.912 -4.403 185 HG13 ILE 18 HG11 ILE 18 43.144 15.617 -5.622 186 HG21 ILE 18 HG21 ILE 18 39.529 17.551 -4.389 187 HG22 ILE 18 HG22 ILE 18 40.463 18.315 -5.694 188 HG23 ILE 18 HG23 ILE 18 41.130 18.246 -4.045 189 HD11 ILE 18 HD1 ILE 18 42.233 17.433 -7.256 190 HD12 ILE 18 HD2 ILE 18 43.952 17.509 -6.803 191 HD13 ILE 18 HD3 ILE 18 42.782 18.604 -6.031 192 H GLY 19 HN GLY 19 39.529 14.978 -1.875 193 HA2 GLY 19 HA1 GLY 19 36.937 15.104 -3.098 194 HA3 GLY 19 HA2 GLY 19 37.443 13.409 -2.950 195 H GLY 20 HN GLY 20 39.006 15.055 -0.548 196 HA2 GLY 20 HA1 GLY 20 37.393 13.871 1.519 197 HA3 GLY 20 HA2 GLY 20 38.725 15.021 1.748 198 H ALA 21 HN ALA 21 36.445 15.043 3.355 199 HA ALA 21 HA ALA 21 34.331 16.711 2.586 200 HB1 ALA 21 HB1 ALA 21 34.381 15.617 4.748 201 HB2 ALA 21 HB2 ALA 21 34.227 17.372 4.996 202 HB3 ALA 21 HB3 ALA 21 35.797 16.572 5.242 203 H ALA 22 HN ALA 22 37.429 17.729 4.102 204 HA ALA 22 HA ALA 22 36.842 20.556 3.617 205 HB1 ALA 22 HB1 ALA 22 38.191 19.820 5.539 206 HB2 ALA 22 HB2 ALA 22 39.118 20.913 4.482 207 HB3 ALA 22 HB3 ALA 22 39.415 19.158 4.431 208 H LEU 23 HN LEU 23 38.670 17.968 2.040 209 HA LEU 23 HA LEU 23 39.989 19.783 0.158 210 HB2 LEU 23 HB2 LEU 23 39.696 16.768 0.367 211 HB3 LEU 23 HB1 LEU 23 40.491 17.531 -1.023 212 HG LEU 23 HG LEU 23 42.024 16.757 0.875 213 HD11 LEU 23 HD11 LEU 23 42.544 18.593 -0.894 214 HD12 LEU 23 HD12 LEU 23 43.558 18.529 0.562 215 HD13 LEU 23 HD13 LEU 23 42.282 19.755 0.426 216 HD21 LEU 23 HD21 LEU 23 42.160 18.049 2.898 217 HD22 LEU 23 HD22 LEU 23 40.454 17.591 2.694 218 HD23 LEU 23 HD23 LEU 23 40.986 19.243 2.300 219 H ASP 24 HN ASP 24 37.133 20.121 0.321 220 HA ASP 24 HA ASP 24 36.540 20.040 -2.521 221 HB2 ASP 24 HB2 ASP 24 36.089 17.655 -1.876 222 HB3 ASP 24 HB1 ASP 24 34.859 18.243 -0.732 223 H HIS 25 HN HIS 25 34.486 19.709 0.405 224 HA HIS 25 HA HIS 25 32.833 21.116 1.224 225 HB2 HIS 25 HB2 HIS 25 34.811 22.463 1.835 226 HB3 HIS 25 HB1 HIS 25 34.757 23.266 0.246 227 HD1 HIS 25 HD1 HIS 25 31.930 22.454 2.731 228 HD2 HIS 25 HD2 HIS 25 33.705 25.759 0.832 229 HE1 HIS 25 HE1 HIS 25 30.537 24.511 3.324 230 H LEU 26 HN LEU 26 31.013 20.858 0.055 231 HA LEU 26 HA LEU 26 30.666 21.562 -2.671 232 HB2 LEU 26 HB2 LEU 26 28.731 21.254 -0.347 233 HB3 LEU 26 HB1 LEU 26 28.163 21.664 -1.983 234 HG LEU 26 HG LEU 26 29.309 19.626 -2.866 235 HD11 LEU 26 HD11 LEU 26 31.085 19.207 -1.344 236 HD12 LEU 26 HD12 LEU 26 29.930 17.896 -1.018 237 HD13 LEU 26 HD13 LEU 26 30.014 19.299 0.075 238 HD21 LEU 26 HD21 LEU 26 27.453 18.994 -0.531 239 HD22 LEU 26 HD22 LEU 26 27.666 18.047 -2.023 240 HD23 LEU 26 HD23 LEU 26 26.898 19.652 -2.087 Start of MODEL 25 1 H1 GLY 1 HT1 GLY 1 57.001 -2.931 2.810 2 H2 GLY 1 HT2 GLY 1 56.940 -3.688 1.289 3 H3 GLY 1 HT3 GLY 1 55.525 -3.512 2.213 4 HA2 GLY 1 HA1 GLY 1 56.430 -1.857 0.265 5 HA3 GLY 1 HA2 GLY 1 55.120 -1.545 1.420 6 H ARG 2 HN ARG 2 55.488 0.640 1.601 7 HA ARG 2 HA ARG 2 56.457 2.546 2.485 8 HB2 ARG 2 HB2 ARG 2 58.223 0.710 4.139 9 HB3 ARG 2 HB1 ARG 2 57.696 2.366 4.519 10 HG2 ARG 2 HG2 ARG 2 55.337 1.581 4.620 11 HG3 ARG 2 HG1 ARG 2 55.886 -0.079 4.288 12 HD2 ARG 2 HD2 ARG 2 57.376 0.110 6.342 13 HD3 ARG 2 HD1 ARG 2 56.546 1.641 6.714 14 HE ARG 2 HE ARG 2 54.554 -0.353 6.309 15 HH11 ARG 2 HH11 ARG 2 54.721 1.388 8.737 16 HH12 ARG 2 HH12 ARG 2 55.060 0.239 9.987 17 HH21 ARG 2 HH21 ARG 2 56.041 -2.258 7.791 18 HH22 ARG 2 HH22 ARG 2 55.810 -1.825 9.452 19 H ARG 3 HN ARG 3 57.944 3.944 1.777 20 HA ARG 3 HA ARG 3 60.707 3.240 1.320 21 HB2 ARG 3 HB2 ARG 3 59.687 2.013 -0.598 22 HB3 ARG 3 HB1 ARG 3 58.987 3.546 -1.174 23 HG2 ARG 3 HG2 ARG 3 61.189 4.515 -1.484 24 HG3 ARG 3 HG1 ARG 3 61.967 3.116 -0.704 25 HD2 ARG 3 HD2 ARG 3 62.155 2.923 -3.149 26 HD3 ARG 3 HD1 ARG 3 61.088 1.645 -2.519 27 HE ARG 3 HE ARG 3 59.528 3.952 -3.256 28 HH11 ARG 3 HH11 ARG 3 58.109 1.877 -4.183 29 HH12 ARG 3 HH12 ARG 3 58.623 1.533 -5.800 30 HH21 ARG 3 HH21 ARG 3 61.604 3.280 -5.505 31 HH22 ARG 3 HH22 ARG 3 60.602 2.329 -6.549 32 H LYS 4 HN LYS 4 58.025 5.278 0.092 33 HA LYS 4 HA LYS 4 59.816 7.665 0.130 34 HB2 LYS 4 HB2 LYS 4 56.903 7.407 -0.719 35 HB3 LYS 4 HB1 LYS 4 57.986 8.788 -1.015 36 HG2 LYS 4 HG2 LYS 4 59.514 7.209 -2.280 37 HG3 LYS 4 HG1 LYS 4 58.249 5.966 -2.133 38 HD2 LYS 4 HD2 LYS 4 56.640 7.499 -3.268 39 HD3 LYS 4 HD1 LYS 4 57.945 8.693 -3.467 40 HE2 LYS 4 HE2 LYS 4 57.940 5.856 -4.591 41 HE3 LYS 4 HE1 LYS 4 57.666 7.347 -5.526 42 HZ1 LYS 4 HZ1 LYS 4 60.145 6.402 -4.219 43 HZ2 LYS 4 HZ2 LYS 4 59.917 8.054 -4.543 44 HZ3 LYS 4 HZ3 LYS 4 59.911 6.927 -5.815 45 H ARG 5 HN ARG 5 58.874 6.215 2.594 46 HA ARG 5 HA ARG 5 58.012 6.752 4.680 47 HB2 ARG 5 HB2 ARG 5 58.771 9.496 3.613 48 HB3 ARG 5 HB1 ARG 5 58.145 9.259 5.261 49 HG2 ARG 5 HG2 ARG 5 60.623 9.246 5.235 50 HG3 ARG 5 HG1 ARG 5 59.976 7.670 5.743 51 HD2 ARG 5 HD2 ARG 5 60.535 6.636 3.693 52 HD3 ARG 5 HD1 ARG 5 60.631 8.187 2.822 53 HE ARG 5 HE ARG 5 62.622 8.145 4.884 54 HH11 ARG 5 HH11 ARG 5 64.371 6.500 4.572 55 HH12 ARG 5 HH12 ARG 5 64.868 6.266 2.929 56 HH21 ARG 5 HH21 ARG 5 62.138 7.933 1.588 57 HH22 ARG 5 HH22 ARG 5 63.605 7.079 1.241 58 H LYS 6 HN LYS 6 56.001 6.013 3.205 59 HA LYS 6 HA LYS 6 53.731 6.268 2.791 60 HB2 LYS 6 HB2 LYS 6 53.902 8.195 5.145 61 HB3 LYS 6 HB1 LYS 6 52.440 7.370 4.553 62 HG2 LYS 6 HG2 LYS 6 53.469 5.174 5.052 63 HG3 LYS 6 HG1 LYS 6 54.937 5.992 5.636 64 HD2 LYS 6 HD2 LYS 6 53.526 7.191 7.341 65 HD3 LYS 6 HD1 LYS 6 52.134 6.211 6.815 66 HE2 LYS 6 HE2 LYS 6 53.281 4.152 7.444 67 HE3 LYS 6 HE1 LYS 6 54.765 5.054 7.833 68 HZ1 LYS 6 HZ1 LYS 6 53.607 6.188 9.591 69 HZ2 LYS 6 HZ2 LYS 6 53.414 4.513 9.801 70 HZ3 LYS 6 HZ3 LYS 6 52.139 5.446 9.178 71 H TRP 7 HN TRP 7 54.259 7.314 0.754 72 HA TRP 7 HA TRP 7 52.909 9.913 0.558 73 HB2 TRP 7 HB2 TRP 7 55.264 10.543 1.191 74 HB3 TRP 7 HB1 TRP 7 55.830 9.722 -0.283 75 HD1 TRP 7 HD1 TRP 7 53.772 12.740 0.881 76 HE1 TRP 7 HE1 TRP 7 53.548 14.444 -1.070 77 HE3 TRP 7 HE3 TRP 7 55.883 9.959 -2.863 78 HZ2 TRP 7 HZ2 TRP 7 54.210 14.552 -3.871 79 HZ3 TRP 7 HZ3 TRP 7 56.077 10.883 -5.167 80 HH2 TRP 7 HH2 TRP 7 55.243 13.175 -5.674 81 H LEU 8 HN LEU 8 53.467 6.912 -0.458 82 HA LEU 8 HA LEU 8 53.574 7.411 -3.371 83 HB2 LEU 8 HB2 LEU 8 52.935 4.711 -3.085 84 HB3 LEU 8 HB1 LEU 8 54.583 5.360 -3.147 85 HG LEU 8 HG LEU 8 54.583 5.536 -0.647 86 HD11 LEU 8 HD11 LEU 8 52.807 4.631 0.678 87 HD12 LEU 8 HD12 LEU 8 52.022 3.885 -0.735 88 HD13 LEU 8 HD13 LEU 8 51.994 5.648 -0.529 89 HD21 LEU 8 HD21 LEU 8 53.877 2.788 -1.763 90 HD22 LEU 8 HD22 LEU 8 54.764 3.106 -0.252 91 HD23 LEU 8 HD23 LEU 8 55.486 3.548 -1.818 92 H ARG 9 HN ARG 9 51.368 8.473 -1.623 93 HA ARG 9 HA ARG 9 49.088 8.765 -1.775 94 HB2 ARG 9 HB2 ARG 9 49.422 7.450 -4.503 95 HB3 ARG 9 HB1 ARG 9 48.016 8.393 -3.966 96 HG2 ARG 9 HG2 ARG 9 50.771 9.665 -3.814 97 HG3 ARG 9 HG1 ARG 9 49.965 9.549 -5.393 98 HD2 ARG 9 HD2 ARG 9 48.133 10.891 -4.694 99 HD3 ARG 9 HD1 ARG 9 48.528 10.696 -2.972 100 HE ARG 9 HE ARG 9 49.868 12.607 -3.238 101 HH11 ARG 9 HH11 ARG 9 48.748 12.735 -6.157 102 HH12 ARG 9 HH12 ARG 9 50.231 12.935 -7.029 103 HH21 ARG 9 HH21 ARG 9 52.238 12.020 -4.353 104 HH22 ARG 9 HH22 ARG 9 52.207 12.531 -6.008 105 H ARG 10 HN ARG 10 49.994 6.459 -0.401 106 HA ARG 10 HA ARG 10 48.690 4.052 -1.113 107 HB2 ARG 10 HB2 ARG 10 48.477 3.876 1.553 108 HB3 ARG 10 HB1 ARG 10 50.068 3.804 0.761 109 HG2 ARG 10 HG2 ARG 10 50.607 6.039 1.332 110 HG3 ARG 10 HG1 ARG 10 48.914 6.478 1.639 111 HD2 ARG 10 HD2 ARG 10 50.323 6.174 3.729 112 HD3 ARG 10 HD1 ARG 10 48.864 5.156 3.667 113 HE ARG 10 HE ARG 10 51.115 3.739 2.549 114 HH11 ARG 10 HH11 ARG 10 51.260 5.284 5.448 115 HH12 ARG 10 HH12 ARG 10 51.285 3.865 6.442 116 HH21 ARG 10 HH21 ARG 10 50.485 1.710 3.846 117 HH22 ARG 10 HH22 ARG 10 50.846 1.841 5.535 118 H ILE 11 HN ILE 11 47.373 5.642 1.732 119 HA ILE 11 HA ILE 11 44.641 5.128 0.764 120 HB ILE 11 HB ILE 11 45.284 4.783 3.161 121 HG12 ILE 11 HG12 ILE 11 43.260 7.052 2.862 122 HG13 ILE 11 HG11 ILE 11 42.920 5.375 2.381 123 HG21 ILE 11 HG21 ILE 11 45.426 7.824 3.321 124 HG22 ILE 11 HG22 ILE 11 46.866 6.790 3.170 125 HG23 ILE 11 HG23 ILE 11 45.813 6.643 4.595 126 HD11 ILE 11 HD1 ILE 11 42.068 5.605 4.606 127 HD12 ILE 11 HD2 ILE 11 43.534 6.439 5.164 128 HD13 ILE 11 HD3 ILE 11 43.591 4.704 4.772 129 H GLY 12 HN GLY 12 46.970 7.653 0.613 130 HA2 GLY 12 HA1 GLY 12 45.338 9.969 0.755 131 HA3 GLY 12 HA2 GLY 12 46.822 9.808 -0.212 132 H LYS 13 HN LYS 13 45.960 7.717 -1.909 133 HA LYS 13 HA LYS 13 44.768 9.130 -4.028 134 HB2 LYS 13 HB2 LYS 13 45.915 6.975 -4.303 135 HB3 LYS 13 HB1 LYS 13 44.634 6.157 -3.379 136 HG2 LYS 13 HG2 LYS 13 42.997 6.580 -5.079 137 HG3 LYS 13 HG1 LYS 13 44.057 7.741 -5.912 138 HD2 LYS 13 HD2 LYS 13 43.978 5.513 -7.055 139 HD3 LYS 13 HD1 LYS 13 45.615 5.944 -6.511 140 HE2 LYS 13 HE2 LYS 13 45.543 4.420 -4.692 141 HE3 LYS 13 HE1 LYS 13 43.768 4.282 -4.757 142 HZ1 LYS 13 HZ1 LYS 13 45.794 3.103 -6.557 143 HZ2 LYS 13 HZ2 LYS 13 44.211 3.371 -7.112 144 HZ3 LYS 13 HZ3 LYS 13 44.487 2.355 -5.778 145 H GLY 14 HN GLY 14 43.384 8.089 -1.096 146 HA2 GLY 14 HA1 GLY 14 40.604 8.109 -2.225 147 HA3 GLY 14 HA2 GLY 14 41.099 7.409 -0.674 148 H VAL 15 HN VAL 15 42.663 9.556 0.365 149 HA VAL 15 HA VAL 15 40.423 11.502 0.903 150 HB VAL 15 HB VAL 15 41.204 10.385 2.907 151 HG11 VAL 15 HG11 VAL 15 43.415 9.671 2.074 152 HG12 VAL 15 HG12 VAL 15 43.561 10.511 3.635 153 HG13 VAL 15 HG13 VAL 15 43.988 11.354 2.128 154 HG21 VAL 15 HG21 VAL 15 40.763 12.915 2.907 155 HG22 VAL 15 HG22 VAL 15 42.531 13.127 2.901 156 HG23 VAL 15 HG23 VAL 15 41.739 12.292 4.259 157 H LYS 16 HN LYS 16 43.874 11.288 0.008 158 HA LYS 16 HA LYS 16 44.415 14.081 0.085 159 HB2 LYS 16 HB2 LYS 16 45.982 12.000 -0.306 160 HB3 LYS 16 HB1 LYS 16 45.636 12.277 -2.025 161 HG2 LYS 16 HG2 LYS 16 46.760 14.356 -0.086 162 HG3 LYS 16 HG1 LYS 16 47.710 13.440 -1.279 163 HD2 LYS 16 HD2 LYS 16 46.037 14.404 -3.042 164 HD3 LYS 16 HD1 LYS 16 45.592 15.565 -1.766 165 HE2 LYS 16 HE2 LYS 16 48.038 16.155 -1.546 166 HE3 LYS 16 HE1 LYS 16 48.357 15.135 -2.968 167 HZ1 LYS 16 HZ1 LYS 16 46.260 17.191 -3.130 168 HZ2 LYS 16 HZ2 LYS 16 47.259 16.564 -4.353 169 HZ3 LYS 16 HZ3 LYS 16 47.882 17.675 -3.228 170 H ILE 17 HN ILE 17 43.660 12.064 -2.817 171 HA ILE 17 HA ILE 17 43.357 14.203 -4.622 172 HB ILE 17 HB ILE 17 43.311 11.761 -5.241 173 HG12 ILE 17 HG12 ILE 17 40.917 13.382 -6.227 174 HG13 ILE 17 HG11 ILE 17 42.587 13.598 -6.795 175 HG21 ILE 17 HG21 ILE 17 41.302 10.468 -4.994 176 HG22 ILE 17 HG22 ILE 17 40.367 11.887 -4.466 177 HG23 ILE 17 HG23 ILE 17 41.614 11.195 -3.401 178 HD11 ILE 17 HD1 ILE 17 41.602 12.160 -8.409 179 HD12 ILE 17 HD2 ILE 17 40.756 11.204 -7.171 180 HD13 ILE 17 HD3 ILE 17 42.522 11.058 -7.358 181 H ILE 18 HN ILE 18 41.153 12.929 -2.212 182 HA ILE 18 HA ILE 18 39.641 14.634 -1.171 183 HB ILE 18 HB ILE 18 39.569 16.196 -3.146 184 HG12 ILE 18 HG12 ILE 18 36.849 15.222 -2.164 185 HG13 ILE 18 HG11 ILE 18 37.948 16.288 -1.259 186 HG21 ILE 18 HG21 ILE 18 38.977 14.026 -4.715 187 HG22 ILE 18 HG22 ILE 18 38.485 15.676 -5.152 188 HG23 ILE 18 HG23 ILE 18 37.324 14.578 -4.373 189 HD11 ILE 18 HD1 ILE 18 36.694 16.874 -3.976 190 HD12 ILE 18 HD2 ILE 18 37.873 17.922 -3.150 191 HD13 ILE 18 HD3 ILE 18 36.271 17.642 -2.427 192 H GLY 19 HN GLY 19 38.598 13.158 -0.045 193 HA2 GLY 19 HA1 GLY 19 37.156 10.966 -1.447 194 HA3 GLY 19 HA2 GLY 19 37.470 11.101 0.294 195 H GLY 20 HN GLY 20 35.659 12.712 -2.350 196 HA2 GLY 20 HA1 GLY 20 33.885 14.238 -0.872 197 HA3 GLY 20 HA2 GLY 20 33.450 13.417 -2.383 198 H ALA 21 HN ALA 21 33.712 10.727 -1.467 199 HA ALA 21 HA ALA 21 31.127 10.194 -0.543 200 HB1 ALA 21 HB1 ALA 21 32.596 8.468 -1.441 201 HB2 ALA 21 HB2 ALA 21 32.017 7.988 0.173 202 HB3 ALA 21 HB3 ALA 21 33.672 8.614 -0.032 203 H ALA 22 HN ALA 22 34.117 10.271 1.459 204 HA ALA 22 HA ALA 22 32.652 10.042 3.943 205 HB1 ALA 22 HB1 ALA 22 34.813 10.666 4.979 206 HB2 ALA 22 HB2 ALA 22 35.455 11.068 3.367 207 HB3 ALA 22 HB3 ALA 22 35.004 9.389 3.753 208 H LEU 23 HN LEU 23 34.245 12.791 2.271 209 HA LEU 23 HA LEU 23 33.215 14.717 4.218 210 HB2 LEU 23 HB2 LEU 23 34.278 15.370 1.449 211 HB3 LEU 23 HB1 LEU 23 34.344 16.357 2.928 212 HG LEU 23 HG LEU 23 35.843 13.749 2.417 213 HD11 LEU 23 HD11 LEU 23 36.787 15.711 1.258 214 HD12 LEU 23 HD12 LEU 23 37.840 15.224 2.609 215 HD13 LEU 23 HD13 LEU 23 36.768 16.635 2.779 216 HD21 LEU 23 HD21 LEU 23 35.558 15.511 4.888 217 HD22 LEU 23 HD22 LEU 23 36.945 14.418 4.661 218 HD23 LEU 23 HD23 LEU 23 35.298 13.756 4.750 219 H ASP 24 HN ASP 24 30.955 13.741 3.895 220 HA ASP 24 HA ASP 24 29.393 15.684 2.439 221 HB2 ASP 24 HB2 ASP 24 30.119 14.346 0.492 222 HB3 ASP 24 HB1 ASP 24 29.481 12.875 1.266 223 H HIS 25 HN HIS 25 29.790 12.743 4.260 224 HA HIS 25 HA HIS 25 26.958 12.288 4.750 225 HB2 HIS 25 HB2 HIS 25 28.658 10.500 4.956 226 HB3 HIS 25 HB1 HIS 25 29.400 11.372 6.319 227 HD1 HIS 25 HD1 HIS 25 28.770 10.151 8.406 228 HD2 HIS 25 HD2 HIS 25 25.559 10.416 5.704 229 HE1 HIS 25 HE1 HIS 25 26.715 9.172 9.568 230 H LEU 26 HN LEU 26 29.585 14.044 6.376 231 HA LEU 26 HA LEU 26 29.545 15.478 8.202 232 HB2 LEU 26 HB2 LEU 26 26.624 15.990 7.549 233 HB3 LEU 26 HB1 LEU 26 27.834 17.120 8.204 234 HG LEU 26 HG LEU 26 27.800 15.922 5.399 235 HD11 LEU 26 HD11 LEU 26 26.162 17.778 5.926 236 HD12 LEU 26 HD12 LEU 26 27.355 18.194 4.672 237 HD13 LEU 26 HD13 LEU 26 27.552 18.814 6.329 238 HD21 LEU 26 HD21 LEU 26 29.823 17.659 6.874 239 HD22 LEU 26 HD22 LEU 26 29.736 17.610 5.096 240 HD23 LEU 26 HD23 LEU 26 30.109 16.130 6.009 Start of MODEL 26 1 H1 GLY 1 HT1 GLY 1 54.659 -0.955 -2.442 2 H2 GLY 1 HT2 GLY 1 56.154 -0.742 -1.664 3 H3 GLY 1 HT3 GLY 1 56.046 -1.714 -3.054 4 HA2 GLY 1 HA1 GLY 1 56.347 -0.036 -4.375 5 HA3 GLY 1 HA2 GLY 1 55.020 0.839 -3.584 6 H ARG 2 HN ARG 2 57.118 2.277 -4.515 7 HA ARG 2 HA ARG 2 58.016 3.612 -2.122 8 HB2 ARG 2 HB2 ARG 2 60.497 3.206 -2.522 9 HB3 ARG 2 HB1 ARG 2 59.595 1.827 -1.848 10 HG2 ARG 2 HG2 ARG 2 59.408 0.807 -4.065 11 HG3 ARG 2 HG1 ARG 2 60.190 2.221 -4.812 12 HD2 ARG 2 HD2 ARG 2 61.702 0.187 -4.369 13 HD3 ARG 2 HD1 ARG 2 62.283 1.752 -3.752 14 HE ARG 2 HE ARG 2 62.147 0.821 -1.597 15 HH11 ARG 2 HH11 ARG 2 59.869 0.377 -0.458 16 HH12 ARG 2 HH12 ARG 2 59.356 -1.254 -0.729 17 HH21 ARG 2 HH21 ARG 2 61.533 -1.784 -3.374 18 HH22 ARG 2 HH22 ARG 2 60.296 -2.477 -2.379 19 H ARG 3 HN ARG 3 56.635 4.532 -4.267 20 HA ARG 3 HA ARG 3 58.362 5.621 -6.331 21 HB2 ARG 3 HB2 ARG 3 55.642 6.685 -5.498 22 HB3 ARG 3 HB1 ARG 3 56.419 6.780 -7.097 23 HG2 ARG 3 HG2 ARG 3 55.484 4.232 -5.700 24 HG3 ARG 3 HG1 ARG 3 54.693 5.018 -7.085 25 HD2 ARG 3 HD2 ARG 3 56.997 4.753 -8.286 26 HD3 ARG 3 HD1 ARG 3 57.366 3.582 -6.994 27 HE ARG 3 HE ARG 3 54.856 2.827 -7.989 28 HH11 ARG 3 HH11 ARG 3 56.692 4.032 -10.335 29 HH12 ARG 3 HH12 ARG 3 57.152 2.539 -11.082 30 HH21 ARG 3 HH21 ARG 3 56.027 0.574 -8.456 31 HH22 ARG 3 HH22 ARG 3 56.775 0.581 -10.018 32 H LYS 4 HN LYS 4 57.248 6.685 -3.159 33 HA LYS 4 HA LYS 4 59.130 9.006 -3.340 34 HB2 LYS 4 HB2 LYS 4 56.329 9.368 -2.213 35 HB3 LYS 4 HB1 LYS 4 57.530 10.612 -2.641 36 HG2 LYS 4 HG2 LYS 4 57.334 9.794 -5.057 37 HG3 LYS 4 HG1 LYS 4 55.934 8.830 -4.524 38 HD2 LYS 4 HD2 LYS 4 54.817 10.882 -3.714 39 HD3 LYS 4 HD1 LYS 4 56.218 11.853 -4.228 40 HE2 LYS 4 HE2 LYS 4 55.868 11.082 -6.574 41 HE3 LYS 4 HE1 LYS 4 54.428 10.180 -6.044 42 HZ1 LYS 4 HZ1 LYS 4 53.236 12.065 -5.785 43 HZ2 LYS 4 HZ2 LYS 4 54.330 12.677 -6.932 44 HZ3 LYS 4 HZ3 LYS 4 54.562 12.992 -5.278 45 H ARG 5 HN ARG 5 58.967 6.314 -2.001 46 HA ARG 5 HA ARG 5 59.717 5.501 0.031 47 HB2 ARG 5 HB2 ARG 5 60.885 7.871 0.110 48 HB3 ARG 5 HB1 ARG 5 59.630 8.253 1.309 49 HG2 ARG 5 HG2 ARG 5 60.336 6.046 2.483 50 HG3 ARG 5 HG1 ARG 5 61.779 6.104 1.444 51 HD2 ARG 5 HD2 ARG 5 60.881 8.188 3.477 52 HD3 ARG 5 HD1 ARG 5 62.350 7.185 3.532 53 HE ARG 5 HE ARG 5 62.504 8.628 1.124 54 HH11 ARG 5 HH11 ARG 5 61.168 10.220 3.651 55 HH12 ARG 5 HH12 ARG 5 62.491 11.295 3.957 56 HH21 ARG 5 HH21 ARG 5 64.692 9.606 1.876 57 HH22 ARG 5 HH22 ARG 5 64.484 10.949 2.951 58 H LYS 6 HN LYS 6 57.628 8.309 0.886 59 HA LYS 6 HA LYS 6 55.539 6.422 1.871 60 HB2 LYS 6 HB2 LYS 6 56.642 8.638 3.642 61 HB3 LYS 6 HB1 LYS 6 55.431 7.405 4.066 62 HG2 LYS 6 HG2 LYS 6 57.204 5.642 3.623 63 HG3 LYS 6 HG1 LYS 6 58.385 6.965 3.469 64 HD2 LYS 6 HD2 LYS 6 57.719 7.755 5.764 65 HD3 LYS 6 HD1 LYS 6 56.685 6.314 5.914 66 HE2 LYS 6 HE2 LYS 6 58.599 4.836 5.708 67 HE3 LYS 6 HE1 LYS 6 59.671 6.201 5.316 68 HZ1 LYS 6 HZ1 LYS 6 59.967 6.585 7.465 69 HZ2 LYS 6 HZ2 LYS 6 59.061 5.195 7.832 70 HZ3 LYS 6 HZ3 LYS 6 58.297 6.710 7.737 71 H TRP 7 HN TRP 7 53.554 7.630 2.543 72 HA TRP 7 HA TRP 7 51.883 9.151 2.048 73 HB2 TRP 7 HB2 TRP 7 54.015 11.178 1.305 74 HB3 TRP 7 HB1 TRP 7 52.408 11.458 2.014 75 HD1 TRP 7 HD1 TRP 7 55.958 11.041 2.939 76 HE1 TRP 7 HE1 TRP 7 56.248 10.774 5.510 77 HE3 TRP 7 HE3 TRP 7 51.069 10.226 4.225 78 HZ2 TRP 7 HZ2 TRP 7 54.562 10.273 7.789 79 HZ3 TRP 7 HZ3 TRP 7 50.433 9.857 6.603 80 HH2 TRP 7 HH2 TRP 7 52.174 9.880 8.385 81 H LEU 8 HN LEU 8 53.510 7.578 -0.127 82 HA LEU 8 HA LEU 8 53.511 8.957 -2.557 83 HB2 LEU 8 HB2 LEU 8 52.375 6.174 -2.691 84 HB3 LEU 8 HB1 LEU 8 53.749 6.892 -3.560 85 HG LEU 8 HG LEU 8 54.892 6.877 -1.136 86 HD11 LEU 8 HD11 LEU 8 54.121 5.213 0.372 87 HD12 LEU 8 HD12 LEU 8 53.090 4.437 -0.855 88 HD13 LEU 8 HD13 LEU 8 52.618 6.002 -0.159 89 HD21 LEU 8 HD21 LEU 8 55.741 4.560 -1.620 90 HD22 LEU 8 HD22 LEU 8 55.760 5.622 -3.049 91 HD23 LEU 8 HD23 LEU 8 54.483 4.395 -2.868 92 H ARG 9 HN ARG 9 50.809 6.778 -1.627 93 HA ARG 9 HA ARG 9 48.775 8.779 -2.092 94 HB2 ARG 9 HB2 ARG 9 47.810 7.477 -4.155 95 HB3 ARG 9 HB1 ARG 9 49.123 8.647 -4.419 96 HG2 ARG 9 HG2 ARG 9 49.552 6.533 -5.634 97 HG3 ARG 9 HG1 ARG 9 50.787 6.815 -4.389 98 HD2 ARG 9 HD2 ARG 9 49.903 5.143 -2.962 99 HD3 ARG 9 HD1 ARG 9 48.321 5.143 -3.782 100 HE ARG 9 HE ARG 9 49.223 3.497 -5.192 101 HH11 ARG 9 HH11 ARG 9 50.828 4.014 -7.098 102 HH12 ARG 9 HH12 ARG 9 52.481 3.896 -6.594 103 HH21 ARG 9 HH21 ARG 9 51.736 4.026 -3.210 104 HH22 ARG 9 HH22 ARG 9 52.995 3.903 -4.393 105 H ARG 10 HN ARG 10 49.851 6.327 -0.499 106 HA ARG 10 HA ARG 10 48.132 4.160 -0.513 107 HB2 ARG 10 HB2 ARG 10 48.324 4.457 2.161 108 HB3 ARG 10 HB1 ARG 10 49.731 4.001 1.171 109 HG2 ARG 10 HG2 ARG 10 50.634 6.194 1.201 110 HG3 ARG 10 HG1 ARG 10 49.094 6.931 1.698 111 HD2 ARG 10 HD2 ARG 10 50.755 5.031 3.416 112 HD3 ARG 10 HD1 ARG 10 50.746 6.804 3.574 113 HE ARG 10 HE ARG 10 48.050 5.919 3.731 114 HH11 ARG 10 HH11 ARG 10 50.922 6.410 5.503 115 HH12 ARG 10 HH12 ARG 10 50.253 5.904 7.018 116 HH21 ARG 10 HH21 ARG 10 47.216 4.934 5.653 117 HH22 ARG 10 HH22 ARG 10 48.153 5.069 7.104 118 H ILE 11 HN ILE 11 47.458 6.422 2.117 119 HA ILE 11 HA ILE 11 44.589 5.955 1.801 120 HB ILE 11 HB ILE 11 45.540 6.187 4.060 121 HG12 ILE 11 HG12 ILE 11 44.032 7.872 4.994 122 HG13 ILE 11 HG11 ILE 11 43.870 8.669 3.417 123 HG21 ILE 11 HG21 ILE 11 46.513 8.322 4.814 124 HG22 ILE 11 HG22 ILE 11 46.283 9.016 3.192 125 HG23 ILE 11 HG23 ILE 11 47.429 7.676 3.433 126 HD11 ILE 11 HD1 ILE 11 42.562 6.912 2.521 127 HD12 ILE 11 HD2 ILE 11 41.986 7.010 4.201 128 HD13 ILE 11 HD3 ILE 11 43.137 5.737 3.730 129 H GLY 12 HN GLY 12 46.933 8.246 0.670 130 HA2 GLY 12 HA1 GLY 12 45.334 10.570 0.385 131 HA3 GLY 12 HA2 GLY 12 46.682 10.117 -0.681 132 H LYS 13 HN LYS 13 45.676 7.714 -1.701 133 HA LYS 13 HA LYS 13 44.207 8.524 -3.938 134 HB2 LYS 13 HB2 LYS 13 45.281 6.332 -3.772 135 HB3 LYS 13 HB1 LYS 13 44.154 5.851 -2.482 136 HG2 LYS 13 HG2 LYS 13 42.277 5.864 -3.983 137 HG3 LYS 13 HG1 LYS 13 43.212 6.690 -5.252 138 HD2 LYS 13 HD2 LYS 13 42.942 4.231 -5.680 139 HD3 LYS 13 HD1 LYS 13 44.644 4.728 -5.541 140 HE2 LYS 13 HE2 LYS 13 44.868 3.788 -3.373 141 HE3 LYS 13 HE1 LYS 13 43.107 3.712 -3.122 142 HZ1 LYS 13 HZ1 LYS 13 43.615 1.551 -3.655 143 HZ2 LYS 13 HZ2 LYS 13 44.838 1.973 -4.758 144 HZ3 LYS 13 HZ3 LYS 13 43.204 2.163 -5.183 145 H GLY 14 HN GLY 14 43.169 8.287 -0.681 146 HA2 GLY 14 HA1 GLY 14 40.280 8.092 -1.430 147 HA3 GLY 14 HA2 GLY 14 40.969 7.928 0.195 148 H VAL 15 HN VAL 15 42.619 10.238 0.271 149 HA VAL 15 HA VAL 15 40.467 12.353 0.345 150 HB VAL 15 HB VAL 15 42.067 13.518 1.947 151 HG11 VAL 15 HG11 VAL 15 40.122 12.299 2.779 152 HG12 VAL 15 HG12 VAL 15 41.508 11.977 3.849 153 HG13 VAL 15 HG13 VAL 15 40.996 10.754 2.660 154 HG21 VAL 15 HG21 VAL 15 43.444 10.798 1.789 155 HG22 VAL 15 HG22 VAL 15 43.753 12.010 3.050 156 HG23 VAL 15 HG23 VAL 15 44.149 12.375 1.357 157 H LYS 16 HN LYS 16 43.881 11.750 -0.547 158 HA LYS 16 HA LYS 16 44.478 14.345 -1.515 159 HB2 LYS 16 HB2 LYS 16 46.091 12.420 -1.226 160 HB3 LYS 16 HB1 LYS 16 45.437 11.726 -2.728 161 HG2 LYS 16 HG2 LYS 16 46.047 13.787 -3.956 162 HG3 LYS 16 HG1 LYS 16 46.700 14.489 -2.456 163 HD2 LYS 16 HD2 LYS 16 48.295 12.560 -2.297 164 HD3 LYS 16 HD1 LYS 16 47.697 11.978 -3.869 165 HE2 LYS 16 HE2 LYS 16 49.772 13.321 -4.130 166 HE3 LYS 16 HE1 LYS 16 48.386 14.099 -4.932 167 HZ1 LYS 16 HZ1 LYS 16 48.142 15.594 -3.123 168 HZ2 LYS 16 HZ2 LYS 16 49.789 15.604 -3.541 169 HZ3 LYS 16 HZ3 LYS 16 49.264 14.754 -2.167 170 H ILE 17 HN ILE 17 42.829 11.595 -3.058 171 HA ILE 17 HA ILE 17 42.720 12.734 -5.690 172 HB ILE 17 HB ILE 17 42.254 10.305 -4.990 173 HG12 ILE 17 HG12 ILE 17 40.118 11.570 -6.773 174 HG13 ILE 17 HG11 ILE 17 41.795 11.298 -7.291 175 HG21 ILE 17 HG21 ILE 17 40.568 11.044 -3.205 176 HG22 ILE 17 HG22 ILE 17 40.066 9.688 -4.240 177 HG23 ILE 17 HG23 ILE 17 39.421 11.320 -4.537 178 HD11 ILE 17 HD1 ILE 17 41.436 8.834 -6.616 179 HD12 ILE 17 HD2 ILE 17 40.575 9.400 -8.065 180 HD13 ILE 17 HD3 ILE 17 39.703 9.230 -6.525 181 H ILE 18 HN ILE 18 41.503 13.986 -2.907 182 HA ILE 18 HA ILE 18 39.917 15.613 -2.460 183 HB ILE 18 HB ILE 18 39.512 15.921 -5.467 184 HG12 ILE 18 HG12 ILE 18 41.692 17.123 -3.696 185 HG13 ILE 18 HG11 ILE 18 41.943 15.909 -4.972 186 HG21 ILE 18 HG21 ILE 18 38.860 18.157 -4.919 187 HG22 ILE 18 HG22 ILE 18 39.495 18.019 -3.262 188 HG23 ILE 18 HG23 ILE 18 38.033 17.122 -3.734 189 HD11 ILE 18 HD1 ILE 18 42.464 17.968 -6.032 190 HD12 ILE 18 HD2 ILE 18 41.101 18.811 -5.264 191 HD13 ILE 18 HD3 ILE 18 40.800 17.629 -6.561 192 H GLY 19 HN GLY 19 38.797 13.477 -1.825 193 HA2 GLY 19 HA1 GLY 19 36.655 12.517 -3.496 194 HA3 GLY 19 HA2 GLY 19 36.865 12.202 -1.763 195 H GLY 20 HN GLY 20 34.386 12.362 -2.223 196 HA2 GLY 20 HA1 GLY 20 33.177 14.907 -2.598 197 HA3 GLY 20 HA2 GLY 20 32.438 13.520 -1.771 198 H ALA 21 HN ALA 21 34.466 13.319 0.297 199 HA ALA 21 HA ALA 21 33.293 15.052 2.234 200 HB1 ALA 21 HB1 ALA 21 35.108 14.309 3.705 201 HB2 ALA 21 HB2 ALA 21 36.004 13.679 2.300 202 HB3 ALA 21 HB3 ALA 21 34.455 12.941 2.774 203 H ALA 22 HN ALA 22 36.537 15.196 0.687 204 HA ALA 22 HA ALA 22 37.202 17.740 1.867 205 HB1 ALA 22 HB1 ALA 22 39.040 17.760 0.254 206 HB2 ALA 22 HB2 ALA 22 38.264 16.452 -0.672 207 HB3 ALA 22 HB3 ALA 22 38.869 16.141 0.972 208 H LEU 23 HN LEU 23 35.227 16.788 -0.815 209 HA LEU 23 HA LEU 23 35.437 19.218 -2.354 210 HB2 LEU 23 HB2 LEU 23 34.447 16.877 -2.990 211 HB3 LEU 23 HB1 LEU 23 32.957 17.471 -2.229 212 HG LEU 23 HG LEU 23 33.364 19.607 -3.790 213 HD11 LEU 23 HD11 LEU 23 34.881 17.392 -5.249 214 HD12 LEU 23 HD12 LEU 23 35.559 18.930 -4.668 215 HD13 LEU 23 HD13 LEU 23 34.364 18.927 -5.983 216 HD21 LEU 23 HD21 LEU 23 31.424 18.077 -3.948 217 HD22 LEU 23 HD22 LEU 23 32.402 16.925 -4.888 218 HD23 LEU 23 HD23 LEU 23 32.013 18.523 -5.567 219 H ASP 24 HN ASP 24 34.294 18.700 0.741 220 HA ASP 24 HA ASP 24 33.008 21.338 0.793 221 HB2 ASP 24 HB2 ASP 24 31.167 19.819 -0.009 222 HB3 ASP 24 HB1 ASP 24 31.329 18.904 1.510 223 H HIS 25 HN HIS 25 35.093 19.318 2.032 224 HA HIS 25 HA HIS 25 35.871 18.776 4.170 225 HB2 HIS 25 HB2 HIS 25 36.148 20.765 5.613 226 HB3 HIS 25 HB1 HIS 25 36.549 21.123 3.917 227 HD1 HIS 25 HD1 HIS 25 35.005 22.717 2.597 228 HD2 HIS 25 HD2 HIS 25 33.758 22.019 6.552 229 HE1 HIS 25 HE1 HIS 25 33.144 24.388 3.114 230 H LEU 26 HN LEU 26 32.965 18.244 3.693 231 HA LEU 26 HA LEU 26 31.338 18.917 5.873 232 HB2 LEU 26 HB2 LEU 26 30.433 17.711 3.990 233 HB3 LEU 26 HB1 LEU 26 31.532 16.342 4.262 234 HG LEU 26 HG LEU 26 30.388 15.732 6.312 235 HD11 LEU 26 HD11 LEU 26 29.877 17.818 7.354 236 HD12 LEU 26 HD12 LEU 26 28.290 17.117 6.962 237 HD13 LEU 26 HD13 LEU 26 28.974 18.402 5.936 238 HD21 LEU 26 HD21 LEU 26 29.353 15.121 4.075 239 HD22 LEU 26 HD22 LEU 26 28.247 16.500 4.284 240 HD23 LEU 26 HD23 LEU 26 28.210 15.145 5.439 Start of MODEL 27 1 H1 GLY 1 HT1 GLY 1 55.250 -2.581 -3.176 2 H2 GLY 1 HT2 GLY 1 56.673 -1.731 -3.547 3 H3 GLY 1 HT3 GLY 1 55.171 -1.168 -4.107 4 HA2 GLY 1 HA1 GLY 1 54.646 -0.191 -2.227 5 HA3 GLY 1 HA2 GLY 1 55.333 -1.520 -1.272 6 H ARG 2 HN ARG 2 55.660 1.138 -0.533 7 HA ARG 2 HA ARG 2 57.330 2.604 0.115 8 HB2 ARG 2 HB2 ARG 2 58.376 0.310 0.730 9 HB3 ARG 2 HB1 ARG 2 59.373 0.516 -0.728 10 HG2 ARG 2 HG2 ARG 2 60.114 2.756 0.171 11 HG3 ARG 2 HG1 ARG 2 59.225 2.397 1.670 12 HD2 ARG 2 HD2 ARG 2 61.467 0.693 0.497 13 HD3 ARG 2 HD1 ARG 2 61.633 1.811 1.872 14 HE ARG 2 HE ARG 2 60.625 -0.857 2.050 15 HH11 ARG 2 HH11 ARG 2 58.083 -0.377 2.746 16 HH12 ARG 2 HH12 ARG 2 58.069 0.352 4.318 17 HH21 ARG 2 HH21 ARG 2 61.410 1.272 4.212 18 HH22 ARG 2 HH22 ARG 2 59.951 1.286 5.146 19 H ARG 3 HN ARG 3 56.303 3.076 -2.365 20 HA ARG 3 HA ARG 3 58.435 3.302 -4.358 21 HB2 ARG 3 HB2 ARG 3 55.910 3.033 -4.795 22 HB3 ARG 3 HB1 ARG 3 55.764 4.749 -4.363 23 HG2 ARG 3 HG2 ARG 3 56.050 4.912 -6.686 24 HG3 ARG 3 HG1 ARG 3 57.732 5.068 -6.137 25 HD2 ARG 3 HD2 ARG 3 58.135 2.684 -6.590 26 HD3 ARG 3 HD1 ARG 3 56.423 2.447 -7.015 27 HE ARG 3 HE ARG 3 57.387 4.493 -8.702 28 HH11 ARG 3 HH11 ARG 3 56.701 1.268 -8.758 29 HH12 ARG 3 HH12 ARG 3 57.827 0.840 -10.004 30 HH21 ARG 3 HH21 ARG 3 59.427 3.917 -9.982 31 HH22 ARG 3 HH22 ARG 3 59.370 2.340 -10.696 32 H LYS 4 HN LYS 4 57.072 5.276 -1.803 33 HA LYS 4 HA LYS 4 59.259 7.189 -2.060 34 HB2 LYS 4 HB2 LYS 4 57.599 7.913 -3.864 35 HB3 LYS 4 HB1 LYS 4 56.462 8.279 -2.545 36 HG2 LYS 4 HG2 LYS 4 58.167 9.800 -1.531 37 HG3 LYS 4 HG1 LYS 4 59.245 9.474 -2.910 38 HD2 LYS 4 HD2 LYS 4 57.598 10.402 -4.468 39 HD3 LYS 4 HD1 LYS 4 56.437 10.640 -3.140 40 HE2 LYS 4 HE2 LYS 4 59.200 11.919 -3.187 41 HE3 LYS 4 HE1 LYS 4 57.742 12.721 -3.818 42 HZ1 LYS 4 HZ1 LYS 4 58.236 13.293 -1.487 43 HZ2 LYS 4 HZ2 LYS 4 58.031 11.664 -1.049 44 HZ3 LYS 4 HZ3 LYS 4 56.720 12.553 -1.665 45 H ARG 5 HN ARG 5 59.061 5.832 0.073 46 HA ARG 5 HA ARG 5 58.611 5.837 2.350 47 HB2 ARG 5 HB2 ARG 5 58.309 8.817 1.799 48 HB3 ARG 5 HB1 ARG 5 58.497 8.096 3.414 49 HG2 ARG 5 HG2 ARG 5 60.541 7.476 1.248 50 HG3 ARG 5 HG1 ARG 5 60.627 9.025 2.113 51 HD2 ARG 5 HD2 ARG 5 60.683 7.799 4.284 52 HD3 ARG 5 HD1 ARG 5 60.664 6.256 3.399 53 HE ARG 5 HE ARG 5 62.971 6.561 3.081 54 HH11 ARG 5 HH11 ARG 5 63.159 8.676 5.162 55 HH12 ARG 5 HH12 ARG 5 63.819 10.013 4.280 56 HH21 ARG 5 HH21 ARG 5 63.053 8.681 1.171 57 HH22 ARG 5 HH22 ARG 5 63.760 10.016 2.021 58 H LYS 6 HN LYS 6 56.639 8.634 2.470 59 HA LYS 6 HA LYS 6 54.101 7.061 2.231 60 HB2 LYS 6 HB2 LYS 6 54.912 8.700 4.672 61 HB3 LYS 6 HB1 LYS 6 53.314 7.965 4.397 62 HG2 LYS 6 HG2 LYS 6 54.433 5.717 4.242 63 HG3 LYS 6 HG1 LYS 6 55.971 6.498 4.683 64 HD2 LYS 6 HD2 LYS 6 54.957 7.297 6.800 65 HD3 LYS 6 HD1 LYS 6 53.423 6.508 6.363 66 HE2 LYS 6 HE2 LYS 6 54.489 4.312 6.380 67 HE3 LYS 6 HE1 LYS 6 56.085 5.049 6.655 68 HZ1 LYS 6 HZ1 LYS 6 55.592 5.526 8.811 69 HZ2 LYS 6 HZ2 LYS 6 54.622 4.142 8.630 70 HZ3 LYS 6 HZ3 LYS 6 53.926 5.689 8.535 71 H TRP 7 HN TRP 7 54.314 8.467 0.231 72 HA TRP 7 HA TRP 7 52.664 10.859 0.659 73 HB2 TRP 7 HB2 TRP 7 55.528 11.094 -0.349 74 HB3 TRP 7 HB1 TRP 7 54.292 12.353 -0.582 75 HD1 TRP 7 HD1 TRP 7 52.956 12.888 1.954 76 HE1 TRP 7 HE1 TRP 7 54.130 13.506 4.191 77 HE3 TRP 7 HE3 TRP 7 57.613 10.996 0.976 78 HZ2 TRP 7 HZ2 TRP 7 56.741 13.205 5.366 79 HZ3 TRP 7 HZ3 TRP 7 59.429 11.174 2.670 80 HH2 TRP 7 HH2 TRP 7 58.998 12.276 4.861 81 H LEU 8 HN LEU 8 53.475 8.157 -0.982 82 HA LEU 8 HA LEU 8 53.298 8.991 -3.730 83 HB2 LEU 8 HB2 LEU 8 52.401 6.485 -3.939 84 HB3 LEU 8 HB1 LEU 8 54.102 6.807 -3.552 85 HG LEU 8 HG LEU 8 52.207 6.642 -1.201 86 HD11 LEU 8 HD11 LEU 8 52.385 4.146 -1.177 87 HD12 LEU 8 HD12 LEU 8 53.071 4.205 -2.818 88 HD13 LEU 8 HD13 LEU 8 51.403 4.754 -2.530 89 HD21 LEU 8 HD21 LEU 8 54.118 5.789 -0.074 90 HD22 LEU 8 HD22 LEU 8 54.797 6.999 -1.189 91 HD23 LEU 8 HD23 LEU 8 54.899 5.269 -1.586 92 H ARG 9 HN ARG 9 50.810 6.858 -2.358 93 HA ARG 9 HA ARG 9 48.697 8.818 -2.482 94 HB2 ARG 9 HB2 ARG 9 47.475 7.770 -4.447 95 HB3 ARG 9 HB1 ARG 9 48.892 8.752 -4.860 96 HG2 ARG 9 HG2 ARG 9 49.036 6.753 -6.190 97 HG3 ARG 9 HG1 ARG 9 50.260 6.603 -4.917 98 HD2 ARG 9 HD2 ARG 9 49.069 4.921 -3.789 99 HD3 ARG 9 HD1 ARG 9 47.498 5.446 -4.442 100 HE ARG 9 HE ARG 9 47.906 4.121 -6.358 101 HH11 ARG 9 HH11 ARG 9 50.775 4.636 -4.515 102 HH12 ARG 9 HH12 ARG 9 51.705 3.465 -5.389 103 HH21 ARG 9 HH21 ARG 9 49.095 2.570 -7.489 104 HH22 ARG 9 HH22 ARG 9 50.754 2.295 -7.074 105 H ARG 10 HN ARG 10 49.932 6.411 -1.025 106 HA ARG 10 HA ARG 10 48.377 4.144 -0.949 107 HB2 ARG 10 HB2 ARG 10 48.587 4.483 1.719 108 HB3 ARG 10 HB1 ARG 10 50.007 4.126 0.708 109 HG2 ARG 10 HG2 ARG 10 50.707 6.402 0.670 110 HG3 ARG 10 HG1 ARG 10 49.140 6.988 1.269 111 HD2 ARG 10 HD2 ARG 10 50.969 5.164 2.883 112 HD3 ARG 10 HD1 ARG 10 51.002 6.939 3.005 113 HE ARG 10 HE ARG 10 48.312 5.924 3.359 114 HH11 ARG 10 HH11 ARG 10 48.543 4.381 5.422 115 HH12 ARG 10 HH12 ARG 10 49.157 5.262 6.781 116 HH21 ARG 10 HH21 ARG 10 50.337 7.905 4.871 117 HH22 ARG 10 HH22 ARG 10 50.173 7.258 6.470 118 H ILE 11 HN ILE 11 47.538 6.330 1.697 119 HA ILE 11 HA ILE 11 44.684 5.677 1.297 120 HB ILE 11 HB ILE 11 45.694 5.759 3.584 121 HG12 ILE 11 HG12 ILE 11 43.637 7.981 3.171 122 HG13 ILE 11 HG11 ILE 11 43.239 6.250 3.111 123 HG21 ILE 11 HG21 ILE 11 47.252 7.694 2.979 124 HG22 ILE 11 HG22 ILE 11 46.440 7.831 4.554 125 HG23 ILE 11 HG23 ILE 11 45.851 8.773 3.165 126 HD11 ILE 11 HD1 ILE 11 42.758 6.932 5.346 127 HD12 ILE 11 HD2 ILE 11 44.267 7.864 5.472 128 HD13 ILE 11 HD3 ILE 11 44.318 6.085 5.451 129 H GLY 12 HN GLY 12 46.930 8.122 0.387 130 HA2 GLY 12 HA1 GLY 12 45.326 10.443 0.349 131 HA3 GLY 12 HA2 GLY 12 46.632 10.085 -0.800 132 H LYS 13 HN LYS 13 45.591 7.801 -2.024 133 HA LYS 13 HA LYS 13 44.060 8.840 -4.116 134 HB2 LYS 13 HB2 LYS 13 45.133 6.647 -4.210 135 HB3 LYS 13 HB1 LYS 13 44.037 6.030 -2.950 136 HG2 LYS 13 HG2 LYS 13 42.124 6.206 -4.393 137 HG3 LYS 13 HG1 LYS 13 43.030 7.163 -5.590 138 HD2 LYS 13 HD2 LYS 13 42.734 4.756 -6.263 139 HD3 LYS 13 HD1 LYS 13 44.438 5.242 -6.131 140 HE2 LYS 13 HE2 LYS 13 44.740 4.080 -4.084 141 HE3 LYS 13 HE1 LYS 13 42.989 3.977 -3.776 142 HZ1 LYS 13 HZ1 LYS 13 43.830 2.764 -6.261 143 HZ2 LYS 13 HZ2 LYS 13 42.804 2.164 -5.046 144 HZ3 LYS 13 HZ3 LYS 13 44.491 2.024 -4.885 145 H GLY 14 HN GLY 14 43.104 8.252 -0.877 146 HA2 GLY 14 HA1 GLY 14 40.193 8.207 -1.597 147 HA3 GLY 14 HA2 GLY 14 40.899 7.751 -0.036 148 H VAL 15 HN VAL 15 42.628 9.987 0.365 149 HA VAL 15 HA VAL 15 40.527 12.097 0.864 150 HB VAL 15 HB VAL 15 41.486 11.254 2.927 151 HG11 VAL 15 HG11 VAL 15 43.884 11.275 3.378 152 HG12 VAL 15 HG12 VAL 15 44.213 11.976 1.776 153 HG13 VAL 15 HG13 VAL 15 43.567 10.322 1.910 154 HG21 VAL 15 HG21 VAL 15 42.246 13.310 3.896 155 HG22 VAL 15 HG22 VAL 15 41.152 13.777 2.572 156 HG23 VAL 15 HG23 VAL 15 42.913 13.881 2.348 157 H LYS 16 HN LYS 16 43.891 11.576 -0.270 158 HA LYS 16 HA LYS 16 44.541 14.300 -0.712 159 HB2 LYS 16 HB2 LYS 16 46.145 12.398 -0.887 160 HB3 LYS 16 HB1 LYS 16 45.369 11.917 -2.415 161 HG2 LYS 16 HG2 LYS 16 46.020 13.959 -3.500 162 HG3 LYS 16 HG1 LYS 16 46.509 14.704 -1.960 163 HD2 LYS 16 HD2 LYS 16 48.499 13.964 -3.196 164 HD3 LYS 16 HD1 LYS 16 48.306 12.990 -1.721 165 HE2 LYS 16 HE2 LYS 16 47.524 11.101 -2.929 166 HE3 LYS 16 HE1 LYS 16 47.156 12.067 -4.380 167 HZ1 LYS 16 HZ1 LYS 16 49.148 11.001 -4.874 168 HZ2 LYS 16 HZ2 LYS 16 49.797 11.242 -3.324 169 HZ3 LYS 16 HZ3 LYS 16 49.647 12.551 -4.397 170 H ILE 17 HN ILE 17 43.360 11.928 -3.160 171 HA ILE 17 HA ILE 17 42.775 14.068 -5.050 172 HB ILE 17 HB ILE 17 43.368 11.563 -5.538 173 HG12 ILE 17 HG12 ILE 17 41.605 11.629 -7.562 174 HG13 ILE 17 HG11 ILE 17 41.290 13.268 -6.957 175 HG21 ILE 17 HG21 ILE 17 41.592 9.978 -5.611 176 HG22 ILE 17 HG22 ILE 17 40.353 11.229 -5.347 177 HG23 ILE 17 HG23 ILE 17 41.451 10.768 -4.022 178 HD11 ILE 17 HD1 ILE 17 43.676 13.843 -7.196 179 HD12 ILE 17 HD2 ILE 17 43.032 13.235 -8.738 180 HD13 ILE 17 HD3 ILE 17 44.038 12.182 -7.718 181 H ILE 18 HN ILE 18 41.420 13.634 -2.218 182 HA ILE 18 HA ILE 18 39.342 14.105 -1.310 183 HB ILE 18 HB ILE 18 38.599 15.315 -4.006 184 HG12 ILE 18 HG12 ILE 18 40.285 16.489 -1.746 185 HG13 ILE 18 HG11 ILE 18 40.840 16.124 -3.396 186 HG21 ILE 18 HG21 ILE 18 36.906 15.078 -2.077 187 HG22 ILE 18 HG22 ILE 18 37.145 16.719 -2.719 188 HG23 ILE 18 HG23 ILE 18 37.915 16.242 -1.186 189 HD11 ILE 18 HD1 ILE 18 40.389 18.454 -3.446 190 HD12 ILE 18 HD2 ILE 18 38.904 18.277 -2.484 191 HD13 ILE 18 HD3 ILE 18 38.940 17.727 -4.177 192 H GLY 19 HN GLY 19 38.759 11.898 -1.155 193 HA2 GLY 19 HA1 GLY 19 37.348 10.596 -3.357 194 HA3 GLY 19 HA2 GLY 19 37.551 9.983 -1.704 195 H GLY 20 HN GLY 20 35.560 11.835 -3.905 196 HA2 GLY 20 HA1 GLY 20 33.689 12.893 -2.041 197 HA3 GLY 20 HA2 GLY 20 33.357 12.516 -3.743 198 H ALA 21 HN ALA 21 34.397 9.660 -2.780 199 HA ALA 21 HA ALA 21 31.708 8.579 -2.510 200 HB1 ALA 21 HB1 ALA 21 32.936 6.415 -2.195 201 HB2 ALA 21 HB2 ALA 21 34.463 7.331 -2.236 202 HB3 ALA 21 HB3 ALA 21 33.403 7.301 -3.666 203 H ALA 22 HN ALA 22 33.237 10.380 -0.380 204 HA ALA 22 HA ALA 22 31.863 9.175 1.897 205 HB1 ALA 22 HB1 ALA 22 33.774 8.700 3.271 206 HB2 ALA 22 HB2 ALA 22 34.891 9.337 2.039 207 HB3 ALA 22 HB3 ALA 22 33.994 7.829 1.735 208 H LEU 23 HN LEU 23 34.476 11.405 0.869 209 HA LEU 23 HA LEU 23 33.859 13.297 3.014 210 HB2 LEU 23 HB2 LEU 23 36.080 12.822 1.512 211 HB3 LEU 23 HB1 LEU 23 35.406 14.170 0.575 212 HG LEU 23 HG LEU 23 35.958 14.213 3.583 213 HD11 LEU 23 HD11 LEU 23 38.008 14.141 2.148 214 HD12 LEU 23 HD12 LEU 23 37.828 15.689 3.009 215 HD13 LEU 23 HD13 LEU 23 37.419 15.578 1.280 216 HD21 LEU 23 HD21 LEU 23 35.550 16.668 3.307 217 HD22 LEU 23 HD22 LEU 23 34.104 15.700 2.939 218 HD23 LEU 23 HD23 LEU 23 35.084 16.379 1.615 219 H ASP 24 HN ASP 24 31.543 12.611 1.537 220 HA ASP 24 HA ASP 24 30.572 15.266 0.920 221 HB2 ASP 24 HB2 ASP 24 31.876 14.791 -1.167 222 HB3 ASP 24 HB1 ASP 24 30.838 13.372 -1.447 223 H HIS 25 HN HIS 25 30.231 12.134 1.862 224 HA HIS 25 HA HIS 25 27.731 11.283 0.858 225 HB2 HIS 25 HB2 HIS 25 29.193 9.895 2.287 226 HB3 HIS 25 HB1 HIS 25 28.835 10.950 3.676 227 HD1 HIS 25 HD1 HIS 25 27.128 8.543 1.243 228 HD2 HIS 25 HD2 HIS 25 26.348 10.472 4.897 229 HE1 HIS 25 HE1 HIS 25 24.992 7.521 2.203 230 H LEU 26 HN LEU 26 28.478 14.029 2.751 231 HA LEU 26 HA LEU 26 26.179 14.293 4.381 232 HB2 LEU 26 HB2 LEU 26 26.619 16.738 4.263 233 HB3 LEU 26 HB1 LEU 26 28.082 15.783 4.583 234 HG LEU 26 HG LEU 26 28.168 15.877 1.814 235 HD11 LEU 26 HD11 LEU 26 26.212 17.359 1.613 236 HD12 LEU 26 HD12 LEU 26 27.686 18.237 1.150 237 HD13 LEU 26 HD13 LEU 26 26.947 18.518 2.742 238 HD21 LEU 26 HD21 LEU 26 29.252 17.943 3.781 239 HD22 LEU 26 HD22 LEU 26 29.806 17.759 2.100 240 HD23 LEU 26 HD23 LEU 26 30.050 16.438 3.267 Start of MODEL 28 1 H1 GLY 1 HT1 GLY 1 53.694 0.271 0.559 2 H2 GLY 1 HT2 GLY 1 53.713 -0.826 -0.738 3 H3 GLY 1 HT3 GLY 1 54.312 0.751 -0.943 4 HA2 GLY 1 HA1 GLY 1 55.465 -1.018 1.073 5 HA3 GLY 1 HA2 GLY 1 55.924 -1.182 -0.632 6 H ARG 2 HN ARG 2 57.973 -0.633 0.852 7 HA ARG 2 HA ARG 2 58.323 2.243 1.324 8 HB2 ARG 2 HB2 ARG 2 60.623 1.614 1.923 9 HB3 ARG 2 HB1 ARG 2 59.451 0.533 2.716 10 HG2 ARG 2 HG2 ARG 2 59.778 -1.069 0.749 11 HG3 ARG 2 HG1 ARG 2 61.146 -0.042 0.251 12 HD2 ARG 2 HD2 ARG 2 62.207 -0.389 2.468 13 HD3 ARG 2 HD1 ARG 2 60.846 -1.430 2.952 14 HE ARG 2 HE ARG 2 62.088 -2.339 0.482 15 HH11 ARG 2 HH11 ARG 2 61.999 -2.457 3.922 16 HH12 ARG 2 HH12 ARG 2 63.032 -3.841 4.036 17 HH21 ARG 2 HH21 ARG 2 63.565 -4.059 0.616 18 HH22 ARG 2 HH22 ARG 2 63.919 -4.748 2.166 19 H ARG 3 HN ARG 3 57.649 1.214 -1.435 20 HA ARG 3 HA ARG 3 59.941 1.385 -3.125 21 HB2 ARG 3 HB2 ARG 3 57.671 0.578 -3.815 22 HB3 ARG 3 HB1 ARG 3 57.098 2.262 -3.765 23 HG2 ARG 3 HG2 ARG 3 58.714 2.915 -5.476 24 HG3 ARG 3 HG1 ARG 3 59.439 1.288 -5.461 25 HD2 ARG 3 HD2 ARG 3 56.577 1.973 -6.267 26 HD3 ARG 3 HD1 ARG 3 57.896 1.511 -7.368 27 HE ARG 3 HE ARG 3 57.596 -0.536 -5.393 28 HH11 ARG 3 HH11 ARG 3 57.573 -2.220 -7.263 29 HH12 ARG 3 HH12 ARG 3 56.041 -2.296 -8.067 30 HH21 ARG 3 HH21 ARG 3 54.918 0.721 -6.779 31 HH22 ARG 3 HH22 ARG 3 54.538 -0.630 -7.793 32 H LYS 4 HN LYS 4 58.059 3.824 -1.465 33 HA LYS 4 HA LYS 4 60.030 5.867 -2.184 34 HB2 LYS 4 HB2 LYS 4 58.346 5.723 -4.157 35 HB3 LYS 4 HB1 LYS 4 57.163 6.424 -3.031 36 HG2 LYS 4 HG2 LYS 4 58.627 8.374 -2.669 37 HG3 LYS 4 HG1 LYS 4 59.867 7.659 -3.726 38 HD2 LYS 4 HD2 LYS 4 58.197 7.654 -5.603 39 HD3 LYS 4 HD1 LYS 4 57.053 8.505 -4.537 40 HE2 LYS 4 HE2 LYS 4 59.846 9.550 -5.156 41 HE3 LYS 4 HE1 LYS 4 58.401 10.013 -6.085 42 HZ1 LYS 4 HZ1 LYS 4 57.424 10.960 -4.172 43 HZ2 LYS 4 HZ2 LYS 4 59.024 11.528 -4.202 44 HZ3 LYS 4 HZ3 LYS 4 58.581 10.285 -3.132 45 H ARG 5 HN ARG 5 59.336 4.712 0.236 46 HA ARG 5 HA ARG 5 58.743 5.303 2.392 47 HB2 ARG 5 HB2 ARG 5 60.010 7.422 1.656 48 HB3 ARG 5 HB1 ARG 5 58.413 8.154 1.391 49 HG2 ARG 5 HG2 ARG 5 58.799 8.801 3.608 50 HG3 ARG 5 HG1 ARG 5 57.936 7.271 3.875 51 HD2 ARG 5 HD2 ARG 5 59.967 7.423 5.290 52 HD3 ARG 5 HD1 ARG 5 60.110 6.090 4.122 53 HE ARG 5 HE ARG 5 61.261 8.374 2.908 54 HH11 ARG 5 HH11 ARG 5 61.645 6.776 5.921 55 HH12 ARG 5 HH12 ARG 5 63.376 6.809 5.876 56 HH21 ARG 5 HH21 ARG 5 63.535 8.240 2.723 57 HH22 ARG 5 HH22 ARG 5 64.446 7.637 4.066 58 H LYS 6 HN LYS 6 56.908 5.234 3.594 59 HA LYS 6 HA LYS 6 54.413 4.886 2.342 60 HB2 LYS 6 HB2 LYS 6 53.452 5.373 4.668 61 HB3 LYS 6 HB1 LYS 6 54.662 4.079 4.569 62 HG2 LYS 6 HG2 LYS 6 55.844 6.787 5.067 63 HG3 LYS 6 HG1 LYS 6 54.761 6.230 6.360 64 HD2 LYS 6 HD2 LYS 6 56.050 4.214 6.691 65 HD3 LYS 6 HD1 LYS 6 57.023 4.523 5.235 66 HE2 LYS 6 HE2 LYS 6 57.967 6.551 6.259 67 HE3 LYS 6 HE1 LYS 6 56.944 6.319 7.698 68 HZ1 LYS 6 HZ1 LYS 6 59.451 5.176 7.127 69 HZ2 LYS 6 HZ2 LYS 6 58.304 3.925 7.211 70 HZ3 LYS 6 HZ3 LYS 6 58.499 4.992 8.519 71 H TRP 7 HN TRP 7 54.106 6.503 0.804 72 HA TRP 7 HA TRP 7 52.568 8.771 1.728 73 HB2 TRP 7 HB2 TRP 7 54.902 9.593 2.209 74 HB3 TRP 7 HB1 TRP 7 55.265 9.423 0.474 75 HD1 TRP 7 HD1 TRP 7 54.291 11.199 -1.165 76 HE1 TRP 7 HE1 TRP 7 53.041 13.461 -0.867 77 HE3 TRP 7 HE3 TRP 7 53.140 10.835 3.811 78 HZ2 TRP 7 HZ2 TRP 7 51.729 14.889 1.262 79 HZ3 TRP 7 HZ3 TRP 7 51.889 12.659 4.954 80 HH2 TRP 7 HH2 TRP 7 51.183 14.684 3.686 81 H LEU 8 HN LEU 8 54.137 6.808 -0.608 82 HA LEU 8 HA LEU 8 53.374 8.090 -3.028 83 HB2 LEU 8 HB2 LEU 8 53.294 5.417 -3.729 84 HB3 LEU 8 HB1 LEU 8 54.786 6.364 -3.587 85 HG LEU 8 HG LEU 8 55.073 5.592 -1.249 86 HD11 LEU 8 HD11 LEU 8 53.624 3.972 -0.224 87 HD12 LEU 8 HD12 LEU 8 52.726 3.707 -1.739 88 HD13 LEU 8 HD13 LEU 8 52.540 5.230 -0.848 89 HD21 LEU 8 HD21 LEU 8 56.083 4.310 -3.077 90 HD22 LEU 8 HD22 LEU 8 54.577 3.382 -3.284 91 HD23 LEU 8 HD23 LEU 8 55.534 3.208 -1.792 92 H ARG 9 HN ARG 9 51.260 8.953 -2.429 93 HA ARG 9 HA ARG 9 48.938 8.887 -2.392 94 HB2 ARG 9 HB2 ARG 9 49.250 6.691 -4.463 95 HB3 ARG 9 HB1 ARG 9 47.962 7.912 -4.335 96 HG2 ARG 9 HG2 ARG 9 50.899 8.457 -4.961 97 HG3 ARG 9 HG1 ARG 9 49.550 8.526 -6.118 98 HD2 ARG 9 HD2 ARG 9 48.501 10.266 -4.482 99 HD3 ARG 9 HD1 ARG 9 50.136 10.373 -3.782 100 HE ARG 9 HE ARG 9 50.202 10.652 -6.669 101 HH11 ARG 9 HH11 ARG 9 52.045 12.319 -5.358 102 HH12 ARG 9 HH12 ARG 9 51.273 13.863 -5.225 103 HH21 ARG 9 HH21 ARG 9 48.086 12.613 -5.786 104 HH22 ARG 9 HH22 ARG 9 49.032 14.030 -5.469 105 H ARG 10 HN ARG 10 50.368 6.930 -0.575 106 HA ARG 10 HA ARG 10 49.137 4.427 -0.437 107 HB2 ARG 10 HB2 ARG 10 49.198 4.991 2.215 108 HB3 ARG 10 HB1 ARG 10 50.679 4.681 1.282 109 HG2 ARG 10 HG2 ARG 10 51.152 7.012 1.046 110 HG3 ARG 10 HG1 ARG 10 49.537 7.483 1.617 111 HD2 ARG 10 HD2 ARG 10 51.701 6.104 3.264 112 HD3 ARG 10 HD1 ARG 10 51.199 7.804 3.407 113 HE ARG 10 HE ARG 10 48.912 6.105 3.759 114 HH11 ARG 10 HH11 ARG 10 50.997 4.702 5.438 115 HH12 ARG 10 HH12 ARG 10 50.808 5.496 6.965 116 HH21 ARG 10 HH21 ARG 10 49.027 8.169 5.656 117 HH22 ARG 10 HH22 ARG 10 49.692 7.458 7.089 118 H ILE 11 HN ILE 11 47.953 6.762 1.968 119 HA ILE 11 HA ILE 11 45.198 5.765 1.498 120 HB ILE 11 HB ILE 11 44.645 7.266 3.456 121 HG12 ILE 11 HG12 ILE 11 47.658 7.554 3.845 122 HG13 ILE 11 HG11 ILE 11 46.750 8.772 2.932 123 HG21 ILE 11 HG21 ILE 11 45.693 5.789 5.108 124 HG22 ILE 11 HG22 ILE 11 46.942 5.311 3.935 125 HG23 ILE 11 HG23 ILE 11 45.248 4.839 3.673 126 HD11 ILE 11 HD1 ILE 11 46.291 7.939 5.827 127 HD12 ILE 11 HD2 ILE 11 45.199 9.009 4.916 128 HD13 ILE 11 HD3 ILE 11 46.875 9.508 5.234 129 H GLY 12 HN GLY 12 47.236 8.326 0.474 130 HA2 GLY 12 HA1 GLY 12 45.413 10.485 0.272 131 HA3 GLY 12 HA2 GLY 12 46.799 10.197 -0.806 132 H LYS 13 HN LYS 13 45.934 7.675 -1.825 133 HA LYS 13 HA LYS 13 44.419 8.474 -4.066 134 HB2 LYS 13 HB2 LYS 13 45.696 6.386 -4.008 135 HB3 LYS 13 HB1 LYS 13 44.636 5.743 -2.731 136 HG2 LYS 13 HG2 LYS 13 42.752 5.634 -4.211 137 HG3 LYS 13 HG1 LYS 13 43.573 6.616 -5.447 138 HD2 LYS 13 HD2 LYS 13 43.548 4.165 -5.999 139 HD3 LYS 13 HD1 LYS 13 45.192 4.831 -5.858 140 HE2 LYS 13 HE2 LYS 13 45.552 3.816 -3.741 141 HE3 LYS 13 HE1 LYS 13 43.813 3.536 -3.477 142 HZ1 LYS 13 HZ1 LYS 13 45.605 1.747 -4.511 143 HZ2 LYS 13 HZ2 LYS 13 44.764 2.301 -5.880 144 HZ3 LYS 13 HZ3 LYS 13 43.916 1.622 -4.575 145 H GLY 14 HN GLY 14 43.479 8.065 -0.827 146 HA2 GLY 14 HA1 GLY 14 40.608 7.581 -1.500 147 HA3 GLY 14 HA2 GLY 14 41.354 7.497 0.107 148 H VAL 15 HN VAL 15 42.735 9.928 0.233 149 HA VAL 15 HA VAL 15 40.397 11.838 0.268 150 HB VAL 15 HB VAL 15 41.787 13.117 1.939 151 HG11 VAL 15 HG11 VAL 15 39.985 11.524 2.595 152 HG12 VAL 15 HG12 VAL 15 41.301 11.577 3.793 153 HG13 VAL 15 HG13 VAL 15 41.186 10.213 2.655 154 HG21 VAL 15 HG21 VAL 15 43.624 11.769 3.058 155 HG22 VAL 15 HG22 VAL 15 44.019 12.304 1.409 156 HG23 VAL 15 HG23 VAL 15 43.528 10.620 1.705 157 H LYS 16 HN LYS 16 43.889 11.579 -0.532 158 HA LYS 16 HA LYS 16 44.266 14.241 -1.379 159 HB2 LYS 16 HB2 LYS 16 46.005 12.375 -1.185 160 HB3 LYS 16 HB1 LYS 16 45.461 11.830 -2.786 161 HG2 LYS 16 HG2 LYS 16 47.215 13.260 -3.400 162 HG3 LYS 16 HG1 LYS 16 45.847 14.394 -3.451 163 HD2 LYS 16 HD2 LYS 16 46.394 15.173 -1.163 164 HD3 LYS 16 HD1 LYS 16 47.730 14.002 -1.076 165 HE2 LYS 16 HE2 LYS 16 47.513 16.175 -3.200 166 HE3 LYS 16 HE1 LYS 16 48.450 16.344 -1.695 167 HZ1 LYS 16 HZ1 LYS 16 49.977 15.581 -3.261 168 HZ2 LYS 16 HZ2 LYS 16 48.890 14.471 -3.948 169 HZ3 LYS 16 HZ3 LYS 16 49.551 14.176 -2.411 170 H ILE 17 HN ILE 17 42.938 11.446 -3.170 171 HA ILE 17 HA ILE 17 42.764 12.609 -5.720 172 HB ILE 17 HB ILE 17 42.145 10.296 -5.453 173 HG12 ILE 17 HG12 ILE 17 40.035 10.167 -6.652 174 HG13 ILE 17 HG11 ILE 17 39.554 11.783 -6.093 175 HG21 ILE 17 HG21 ILE 17 40.360 9.482 -4.096 176 HG22 ILE 17 HG22 ILE 17 39.707 11.110 -3.832 177 HG23 ILE 17 HG23 ILE 17 41.244 10.637 -3.077 178 HD11 ILE 17 HD1 ILE 17 41.177 12.862 -7.455 179 HD12 ILE 17 HD2 ILE 17 40.533 11.571 -8.494 180 HD13 ILE 17 HD3 ILE 17 42.106 11.362 -7.692 181 H ILE 18 HN ILE 18 40.258 12.705 -3.134 182 HA ILE 18 HA ILE 18 39.673 15.469 -3.564 183 HB ILE 18 HB ILE 18 38.686 14.587 -5.718 184 HG12 ILE 18 HG12 ILE 18 36.721 15.739 -3.687 185 HG13 ILE 18 HG11 ILE 18 37.905 16.674 -4.636 186 HG21 ILE 18 HG21 ILE 18 36.916 13.062 -5.782 187 HG22 ILE 18 HG22 ILE 18 36.391 13.419 -4.123 188 HG23 ILE 18 HG23 ILE 18 37.833 12.416 -4.405 189 HD11 ILE 18 HD1 ILE 18 35.544 15.065 -5.693 190 HD12 ILE 18 HD2 ILE 18 36.824 15.733 -6.735 191 HD13 ILE 18 HD3 ILE 18 35.784 16.825 -5.789 192 H GLY 19 HN GLY 19 39.395 15.880 -1.475 193 HA2 GLY 19 HA1 GLY 19 37.986 13.978 0.268 194 HA3 GLY 19 HA2 GLY 19 38.719 15.524 0.737 195 H GLY 20 HN GLY 20 35.933 14.071 -0.953 196 HA2 GLY 20 HA1 GLY 20 34.321 16.271 -1.375 197 HA3 GLY 20 HA2 GLY 20 33.697 14.691 -0.861 198 H ALA 21 HN ALA 21 34.879 14.615 1.731 199 HA ALA 21 HA ALA 21 32.881 15.830 3.279 200 HB1 ALA 21 HB1 ALA 21 35.745 15.119 3.988 201 HB2 ALA 21 HB2 ALA 21 34.290 14.116 4.207 202 HB3 ALA 21 HB3 ALA 21 34.513 15.588 5.183 203 H ALA 22 HN ALA 22 36.188 17.057 2.599 204 HA ALA 22 HA ALA 22 35.651 19.580 3.981 205 HB1 ALA 22 HB1 ALA 22 37.908 18.665 3.908 206 HB2 ALA 22 HB2 ALA 22 37.864 20.229 3.059 207 HB3 ALA 22 HB3 ALA 22 37.897 18.710 2.130 208 H LEU 23 HN LEU 23 36.027 18.551 0.566 209 HA LEU 23 HA LEU 23 35.364 21.225 -0.424 210 HB2 LEU 23 HB2 LEU 23 36.793 19.215 -1.483 211 HB3 LEU 23 HB1 LEU 23 35.226 18.754 -2.173 212 HG LEU 23 HG LEU 23 36.513 21.515 -2.450 213 HD11 LEU 23 HD11 LEU 23 37.759 19.714 -3.642 214 HD12 LEU 23 HD12 LEU 23 36.968 20.840 -4.771 215 HD13 LEU 23 HD13 LEU 23 36.254 19.238 -4.463 216 HD21 LEU 23 HD21 LEU 23 34.099 21.674 -2.622 217 HD22 LEU 23 HD22 LEU 23 34.024 20.222 -3.651 218 HD23 LEU 23 HD23 LEU 23 34.753 21.720 -4.275 219 H ASP 24 HN ASP 24 33.369 20.975 1.161 220 HA ASP 24 HA ASP 24 31.047 20.888 -0.547 221 HB2 ASP 24 HB2 ASP 24 31.366 18.442 -0.312 222 HB3 ASP 24 HB1 ASP 24 31.309 18.612 1.459 223 H HIS 25 HN HIS 25 32.720 22.046 1.925 224 HA HIS 25 HA HIS 25 31.098 22.224 4.188 225 HB2 HIS 25 HB2 HIS 25 32.137 24.440 4.579 226 HB3 HIS 25 HB1 HIS 25 33.332 23.234 4.043 227 HD1 HIS 25 HD1 HIS 25 32.547 26.629 3.474 228 HD2 HIS 25 HD2 HIS 25 33.450 23.406 0.931 229 HE1 HIS 25 HE1 HIS 25 33.246 27.609 1.220 230 H LEU 26 HN LEU 26 29.521 23.689 4.948 231 HA LEU 26 HA LEU 26 28.273 25.588 3.106 232 HB2 LEU 26 HB2 LEU 26 25.980 24.282 3.400 233 HB3 LEU 26 HB1 LEU 26 27.105 23.825 2.101 234 HG LEU 26 HG LEU 26 28.012 22.001 3.453 235 HD11 LEU 26 HD11 LEU 26 27.946 22.838 5.690 236 HD12 LEU 26 HD12 LEU 26 26.788 21.491 5.674 237 HD13 LEU 26 HD13 LEU 26 26.199 23.170 5.602 238 HD21 LEU 26 HD21 LEU 26 25.976 21.557 2.126 239 HD22 LEU 26 HD22 LEU 26 24.960 22.072 3.493 240 HD23 LEU 26 HD23 LEU 26 25.959 20.605 3.629 Start of MODEL 29 1 H1 GLY 1 HT1 GLY 1 56.842 -1.380 -1.893 2 H2 GLY 1 HT2 GLY 1 58.334 -1.628 -1.116 3 H3 GLY 1 HT3 GLY 1 57.909 -2.563 -2.470 4 HA2 GLY 1 HA1 GLY 1 59.510 -0.905 -3.049 5 HA3 GLY 1 HA2 GLY 1 57.957 -0.655 -3.872 6 H ARG 2 HN ARG 2 59.209 0.104 -0.590 7 HA ARG 2 HA ARG 2 57.781 2.573 -0.400 8 HB2 ARG 2 HB2 ARG 2 60.399 1.880 0.984 9 HB3 ARG 2 HB1 ARG 2 59.144 3.015 1.540 10 HG2 ARG 2 HG2 ARG 2 57.527 1.120 1.686 11 HG3 ARG 2 HG1 ARG 2 58.824 -0.000 1.202 12 HD2 ARG 2 HD2 ARG 2 60.120 0.548 3.187 13 HD3 ARG 2 HD1 ARG 2 58.969 1.829 3.636 14 HE ARG 2 HE ARG 2 57.419 -0.484 3.496 15 HH11 ARG 2 HH11 ARG 2 59.346 -2.306 4.380 16 HH12 ARG 2 HH12 ARG 2 59.487 -2.062 6.090 17 HH21 ARG 2 HH21 ARG 2 57.993 1.067 6.035 18 HH22 ARG 2 HH22 ARG 2 58.720 -0.153 7.026 19 H ARG 3 HN ARG 3 58.143 3.528 -2.511 20 HA ARG 3 HA ARG 3 60.831 4.395 -3.246 21 HB2 ARG 3 HB2 ARG 3 58.936 3.958 -4.864 22 HB3 ARG 3 HB1 ARG 3 58.168 5.450 -4.269 23 HG2 ARG 3 HG2 ARG 3 60.139 6.763 -4.929 24 HG3 ARG 3 HG1 ARG 3 60.974 5.281 -5.456 25 HD2 ARG 3 HD2 ARG 3 58.344 6.310 -6.612 26 HD3 ARG 3 HD1 ARG 3 59.943 6.515 -7.368 27 HE ARG 3 HE ARG 3 58.354 4.072 -7.368 28 HH11 ARG 3 HH11 ARG 3 59.847 4.368 -9.719 29 HH12 ARG 3 HH12 ARG 3 61.308 3.470 -9.473 30 HH21 ARG 3 HH21 ARG 3 60.969 3.355 -6.024 31 HH22 ARG 3 HH22 ARG 3 61.942 2.897 -7.381 32 H LYS 4 HN LYS 4 58.158 5.689 -1.370 33 HA LYS 4 HA LYS 4 59.866 8.023 -0.628 34 HB2 LYS 4 HB2 LYS 4 56.964 8.381 -1.464 35 HB3 LYS 4 HB1 LYS 4 58.151 9.645 -1.060 36 HG2 LYS 4 HG2 LYS 4 59.548 8.839 -3.017 37 HG3 LYS 4 HG1 LYS 4 58.189 7.782 -3.471 38 HD2 LYS 4 HD2 LYS 4 56.708 9.727 -3.692 39 HD3 LYS 4 HD1 LYS 4 58.010 10.810 -3.146 40 HE2 LYS 4 HE2 LYS 4 58.081 9.066 -5.649 41 HE3 LYS 4 HE1 LYS 4 57.821 10.826 -5.616 42 HZ1 LYS 4 HZ1 LYS 4 60.045 10.860 -5.857 43 HZ2 LYS 4 HZ2 LYS 4 60.265 9.295 -5.235 44 HZ3 LYS 4 HZ3 LYS 4 60.059 10.610 -4.179 45 H ARG 5 HN ARG 5 59.521 5.853 0.950 46 HA ARG 5 HA ARG 5 58.702 5.156 3.009 47 HB2 ARG 5 HB2 ARG 5 58.402 8.173 3.256 48 HB3 ARG 5 HB1 ARG 5 58.187 7.046 4.618 49 HG2 ARG 5 HG2 ARG 5 60.468 6.240 4.397 50 HG3 ARG 5 HG1 ARG 5 60.700 7.172 2.897 51 HD2 ARG 5 HD2 ARG 5 61.699 8.274 4.936 52 HD3 ARG 5 HD1 ARG 5 60.489 9.277 4.101 53 HE ARG 5 HE ARG 5 59.037 7.891 6.039 54 HH11 ARG 5 HH11 ARG 5 60.806 7.758 8.110 55 HH12 ARG 5 HH12 ARG 5 60.988 9.359 8.745 56 HH21 ARG 5 HH21 ARG 5 59.695 10.909 5.924 57 HH22 ARG 5 HH22 ARG 5 60.359 11.144 7.506 58 H LYS 6 HN LYS 6 56.564 7.917 3.240 59 HA LYS 6 HA LYS 6 54.204 6.288 2.388 60 HB2 LYS 6 HB2 LYS 6 54.312 7.666 5.097 61 HB3 LYS 6 HB1 LYS 6 53.035 6.604 4.458 62 HG2 LYS 6 HG2 LYS 6 54.734 4.739 4.345 63 HG3 LYS 6 HG1 LYS 6 55.890 5.812 5.173 64 HD2 LYS 6 HD2 LYS 6 54.231 6.069 7.046 65 HD3 LYS 6 HD1 LYS 6 53.196 4.864 6.242 66 HE2 LYS 6 HE2 LYS 6 54.510 3.685 7.893 67 HE3 LYS 6 HE1 LYS 6 55.178 3.270 6.296 68 HZ1 LYS 6 HZ1 LYS 6 57.093 3.866 7.296 69 HZ2 LYS 6 HZ2 LYS 6 56.336 4.859 8.448 70 HZ3 LYS 6 HZ3 LYS 6 56.606 5.435 6.873 71 H TRP 7 HN TRP 7 54.059 7.758 0.651 72 HA TRP 7 HA TRP 7 52.432 10.071 1.237 73 HB2 TRP 7 HB2 TRP 7 54.693 10.961 1.888 74 HB3 TRP 7 HB1 TRP 7 55.235 10.677 0.218 75 HD1 TRP 7 HD1 TRP 7 52.447 12.600 2.101 76 HE1 TRP 7 HE1 TRP 7 51.862 14.757 0.772 77 HE3 TRP 7 HE3 TRP 7 55.493 11.899 -1.954 78 HZ2 TRP 7 HZ2 TRP 7 52.632 15.983 -1.717 79 HZ3 TRP 7 HZ3 TRP 7 55.550 13.576 -3.794 80 HH2 TRP 7 HH2 TRP 7 54.124 15.615 -3.680 81 H LEU 8 HN LEU 8 53.811 7.729 -0.727 82 HA LEU 8 HA LEU 8 53.707 8.785 -3.322 83 HB2 LEU 8 HB2 LEU 8 52.542 6.029 -3.049 84 HB3 LEU 8 HB1 LEU 8 53.899 6.605 -4.038 85 HG LEU 8 HG LEU 8 55.128 6.863 -1.683 86 HD11 LEU 8 HD11 LEU 8 54.367 5.460 0.072 87 HD12 LEU 8 HD12 LEU 8 53.280 4.543 -0.997 88 HD13 LEU 8 HD13 LEU 8 52.862 6.202 -0.519 89 HD21 LEU 8 HD21 LEU 8 55.890 5.334 -3.428 90 HD22 LEU 8 HD22 LEU 8 54.578 4.190 -3.052 91 HD23 LEU 8 HD23 LEU 8 55.883 4.468 -1.873 92 H ARG 9 HN ARG 9 51.042 6.721 -2.075 93 HA ARG 9 HA ARG 9 48.991 8.681 -2.499 94 HB2 ARG 9 HB2 ARG 9 47.950 7.455 -4.543 95 HB3 ARG 9 HB1 ARG 9 49.296 8.576 -4.840 96 HG2 ARG 9 HG2 ARG 9 49.629 6.489 -6.103 97 HG3 ARG 9 HG1 ARG 9 50.887 6.658 -4.861 98 HD2 ARG 9 HD2 ARG 9 49.949 4.966 -3.503 99 HD3 ARG 9 HD1 ARG 9 48.343 5.109 -4.263 100 HE ARG 9 HE ARG 9 50.516 3.439 -5.198 101 HH11 ARG 9 HH11 ARG 9 50.410 5.035 -7.584 102 HH12 ARG 9 HH12 ARG 9 49.060 4.407 -8.467 103 HH21 ARG 9 HH21 ARG 9 47.680 2.794 -5.725 104 HH22 ARG 9 HH22 ARG 9 47.514 3.137 -7.416 105 H ARG 10 HN ARG 10 50.062 6.291 -0.876 106 HA ARG 10 HA ARG 10 48.383 4.082 -0.913 107 HB2 ARG 10 HB2 ARG 10 48.539 4.394 1.768 108 HB3 ARG 10 HB1 ARG 10 49.953 3.933 0.792 109 HG2 ARG 10 HG2 ARG 10 50.842 6.135 0.802 110 HG3 ARG 10 HG1 ARG 10 49.302 6.857 1.321 111 HD2 ARG 10 HD2 ARG 10 50.914 6.768 3.195 112 HD3 ARG 10 HD1 ARG 10 49.510 5.724 3.518 113 HE ARG 10 HE ARG 10 52.278 4.820 2.983 114 HH11 ARG 10 HH11 ARG 10 52.009 2.616 1.889 115 HH12 ARG 10 HH12 ARG 10 50.913 1.561 2.719 116 HH21 ARG 10 HH21 ARG 10 49.524 4.090 4.645 117 HH22 ARG 10 HH22 ARG 10 49.507 2.397 4.279 118 H ILE 11 HN ILE 11 47.628 6.344 1.707 119 HA ILE 11 HA ILE 11 44.744 5.888 1.222 120 HB ILE 11 HB ILE 11 44.488 7.336 3.289 121 HG12 ILE 11 HG12 ILE 11 47.531 7.087 3.440 122 HG13 ILE 11 HG11 ILE 11 46.705 8.556 2.879 123 HG21 ILE 11 HG21 ILE 11 44.698 4.806 3.307 124 HG22 ILE 11 HG22 ILE 11 45.222 5.594 4.810 125 HG23 ILE 11 HG23 ILE 11 46.432 5.012 3.644 126 HD11 ILE 11 HD1 ILE 11 45.395 8.469 5.114 127 HD12 ILE 11 HD2 ILE 11 47.108 8.939 5.190 128 HD13 ILE 11 HD3 ILE 11 46.621 7.290 5.639 129 H GLY 12 HN GLY 12 47.162 8.102 0.288 130 HA2 GLY 12 HA1 GLY 12 45.798 10.571 0.279 131 HA3 GLY 12 HA2 GLY 12 47.037 10.084 -0.893 132 H LYS 13 HN LYS 13 45.789 7.958 -2.155 133 HA LYS 13 HA LYS 13 44.243 9.207 -4.139 134 HB2 LYS 13 HB2 LYS 13 45.211 6.973 -4.403 135 HB3 LYS 13 HB1 LYS 13 44.135 6.328 -3.149 136 HG2 LYS 13 HG2 LYS 13 42.731 7.750 -5.389 137 HG3 LYS 13 HG1 LYS 13 43.576 6.272 -5.876 138 HD2 LYS 13 HD2 LYS 13 41.664 6.355 -3.498 139 HD3 LYS 13 HD1 LYS 13 41.123 6.004 -5.151 140 HE2 LYS 13 HE2 LYS 13 43.036 4.171 -5.104 141 HE3 LYS 13 HE1 LYS 13 42.907 4.354 -3.338 142 HZ1 LYS 13 HZ1 LYS 13 41.315 2.804 -3.668 143 HZ2 LYS 13 HZ2 LYS 13 40.970 3.298 -5.257 144 HZ3 LYS 13 HZ3 LYS 13 40.354 4.175 -3.939 145 H GLY 14 HN GLY 14 43.442 8.490 -0.903 146 HA2 GLY 14 HA1 GLY 14 40.496 8.581 -1.421 147 HA3 GLY 14 HA2 GLY 14 41.293 8.076 0.081 148 H VAL 15 HN VAL 15 43.095 10.204 0.499 149 HA VAL 15 HA VAL 15 41.109 12.385 1.124 150 HB VAL 15 HB VAL 15 42.179 11.491 3.107 151 HG11 VAL 15 HG11 VAL 15 44.839 12.143 1.771 152 HG12 VAL 15 HG12 VAL 15 44.160 10.508 1.964 153 HG13 VAL 15 HG13 VAL 15 44.609 11.461 3.397 154 HG21 VAL 15 HG21 VAL 15 43.062 13.514 4.043 155 HG22 VAL 15 HG22 VAL 15 41.893 14.027 2.802 156 HG23 VAL 15 HG23 VAL 15 43.640 14.085 2.459 157 H LYS 16 HN LYS 16 44.374 11.794 -0.252 158 HA LYS 16 HA LYS 16 45.125 14.467 -0.695 159 HB2 LYS 16 HB2 LYS 16 46.482 12.363 -1.192 160 HB3 LYS 16 HB1 LYS 16 45.573 12.241 -2.718 161 HG2 LYS 16 HG2 LYS 16 46.291 14.678 -3.165 162 HG3 LYS 16 HG1 LYS 16 47.427 14.482 -1.811 163 HD2 LYS 16 HD2 LYS 16 47.321 12.799 -4.355 164 HD3 LYS 16 HD1 LYS 16 48.568 13.994 -3.927 165 HE2 LYS 16 HE2 LYS 16 48.018 11.294 -2.661 166 HE3 LYS 16 HE1 LYS 16 49.545 11.923 -3.318 167 HZ1 LYS 16 HZ1 LYS 16 49.062 13.729 -1.439 168 HZ2 LYS 16 HZ2 LYS 16 49.940 12.304 -1.143 169 HZ3 LYS 16 HZ3 LYS 16 48.296 12.395 -0.724 170 H ILE 17 HN ILE 17 43.689 12.362 -3.252 171 HA ILE 17 HA ILE 17 42.910 14.711 -4.796 172 HB ILE 17 HB ILE 17 41.747 13.073 -6.273 173 HG12 ILE 17 HG12 ILE 17 42.670 11.042 -4.182 174 HG13 ILE 17 HG11 ILE 17 40.981 11.511 -4.490 175 HG21 ILE 17 HG21 ILE 17 43.744 11.998 -7.066 176 HG22 ILE 17 HG22 ILE 17 44.478 12.009 -5.445 177 HG23 ILE 17 HG23 ILE 17 44.268 13.534 -6.340 178 HD11 ILE 17 HD1 ILE 17 41.472 10.807 -6.968 179 HD12 ILE 17 HD2 ILE 17 41.221 9.530 -5.755 180 HD13 ILE 17 HD3 ILE 17 42.870 9.949 -6.275 181 H ILE 18 HN ILE 18 41.795 13.945 -1.940 182 HA ILE 18 HA ILE 18 39.798 14.302 -0.826 183 HB ILE 18 HB ILE 18 38.764 15.646 -3.360 184 HG12 ILE 18 HG12 ILE 18 40.567 16.784 -1.172 185 HG13 ILE 18 HG11 ILE 18 41.034 16.498 -2.864 186 HG21 ILE 18 HG21 ILE 18 37.265 15.205 -1.310 187 HG22 ILE 18 HG22 ILE 18 37.375 16.892 -1.858 188 HG23 ILE 18 HG23 ILE 18 38.300 16.357 -0.434 189 HD11 ILE 18 HD1 ILE 18 39.070 18.534 -1.760 190 HD12 ILE 18 HD2 ILE 18 39.028 18.044 -3.473 191 HD13 ILE 18 HD3 ILE 18 40.488 18.807 -2.800 192 H GLY 19 HN GLY 19 38.969 12.295 -0.528 193 HA2 GLY 19 HA1 GLY 19 37.746 10.791 -2.692 194 HA3 GLY 19 HA2 GLY 19 37.722 10.384 -0.964 195 H GLY 20 HN GLY 20 36.110 12.051 -3.594 196 HA2 GLY 20 HA1 GLY 20 34.121 13.502 -2.343 197 HA3 GLY 20 HA2 GLY 20 33.856 12.560 -3.822 198 H ALA 21 HN ALA 21 34.617 10.088 -2.117 199 HA ALA 21 HA ALA 21 32.001 9.139 -1.672 200 HB1 ALA 21 HB1 ALA 21 33.015 7.326 -0.468 201 HB2 ALA 21 HB2 ALA 21 34.456 8.304 -0.096 202 HB3 ALA 21 HB3 ALA 21 34.134 7.791 -1.770 203 H ALA 22 HN ALA 22 34.285 9.738 1.027 204 HA ALA 22 HA ALA 22 32.018 10.247 2.834 205 HB1 ALA 22 HB1 ALA 22 33.684 10.335 4.564 206 HB2 ALA 22 HB2 ALA 22 34.991 10.535 3.371 207 HB3 ALA 22 HB3 ALA 22 34.107 8.992 3.475 208 H LEU 23 HN LEU 23 34.622 12.085 1.252 209 HA LEU 23 HA LEU 23 34.007 14.559 2.661 210 HB2 LEU 23 HB2 LEU 23 35.647 13.859 0.204 211 HB3 LEU 23 HB1 LEU 23 35.423 15.541 0.718 212 HG LEU 23 HG LEU 23 37.548 14.348 1.545 213 HD11 LEU 23 HD11 LEU 23 37.576 15.524 3.603 214 HD12 LEU 23 HD12 LEU 23 35.827 15.341 3.850 215 HD13 LEU 23 HD13 LEU 23 36.439 16.440 2.594 216 HD21 LEU 23 HD21 LEU 23 35.619 13.029 3.506 217 HD22 LEU 23 HD22 LEU 23 37.380 12.809 3.393 218 HD23 LEU 23 HD23 LEU 23 36.325 12.194 2.100 219 H ASP 24 HN ASP 24 31.604 14.233 2.243 220 HA ASP 24 HA ASP 24 30.794 16.154 0.245 221 HB2 ASP 24 HB2 ASP 24 31.236 14.143 -1.214 222 HB3 ASP 24 HB1 ASP 24 29.962 13.282 -0.317 223 H HIS 25 HN HIS 25 29.987 13.470 2.410 224 HA HIS 25 HA HIS 25 27.196 14.108 2.698 225 HB2 HIS 25 HB2 HIS 25 29.137 12.718 4.588 226 HB3 HIS 25 HB1 HIS 25 27.369 12.757 4.793 227 HD1 HIS 25 HD1 HIS 25 27.437 12.662 1.342 228 HD2 HIS 25 HD2 HIS 25 28.465 9.793 4.239 229 HE1 HIS 25 HE1 HIS 25 27.367 10.375 0.207 230 H LEU 26 HN LEU 26 29.727 14.484 5.211 231 HA LEU 26 HA LEU 26 29.911 16.059 6.906 232 HB2 LEU 26 HB2 LEU 26 29.022 17.759 4.554 233 HB3 LEU 26 HB1 LEU 26 29.395 18.484 6.130 234 HG LEU 26 HG LEU 26 31.303 18.452 4.436 235 HD11 LEU 26 HD11 LEU 26 31.528 18.535 7.037 236 HD12 LEU 26 HD12 LEU 26 32.969 18.143 6.077 237 HD13 LEU 26 HD13 LEU 26 32.077 16.850 6.903 238 HD21 LEU 26 HD21 LEU 26 31.464 15.485 5.118 239 HD22 LEU 26 HD22 LEU 26 32.454 16.398 3.957 240 HD23 LEU 26 HD23 LEU 26 30.731 16.106 3.621 Start of MODEL 30 1 H1 GLY 1 HT1 GLY 1 64.041 0.473 0.879 2 H2 GLY 1 HT2 GLY 1 65.093 -0.560 0.032 3 H3 GLY 1 HT3 GLY 1 63.414 -0.672 -0.203 4 HA2 GLY 1 HA1 GLY 1 65.110 1.636 -0.890 5 HA3 GLY 1 HA2 GLY 1 64.493 0.425 -2.032 6 H ARG 2 HN ARG 2 63.300 2.583 0.582 7 HA ARG 2 HA ARG 2 60.614 2.699 -0.375 8 HB2 ARG 2 HB2 ARG 2 62.110 4.905 1.089 9 HB3 ARG 2 HB1 ARG 2 60.356 4.599 1.087 10 HG2 ARG 2 HG2 ARG 2 60.816 2.338 2.113 11 HG3 ARG 2 HG1 ARG 2 62.528 2.805 2.254 12 HD2 ARG 2 HD2 ARG 2 61.817 4.810 3.595 13 HD3 ARG 2 HD1 ARG 2 60.145 4.203 3.545 14 HE ARG 2 HE ARG 2 62.164 3.281 5.345 15 HH11 ARG 2 HH11 ARG 2 59.317 2.723 5.834 16 HH12 ARG 2 HH12 ARG 2 59.198 1.017 5.559 17 HH21 ARG 2 HH21 ARG 2 62.205 0.812 3.847 18 HH22 ARG 2 HH22 ARG 2 60.832 -0.065 4.435 19 H ARG 3 HN ARG 3 59.722 3.621 -2.094 20 HA ARG 3 HA ARG 3 61.363 5.151 -3.949 21 HB2 ARG 3 HB2 ARG 3 58.341 4.849 -3.975 22 HB3 ARG 3 HB1 ARG 3 59.420 5.177 -5.353 23 HG2 ARG 3 HG2 ARG 3 60.545 2.941 -4.868 24 HG3 ARG 3 HG1 ARG 3 59.227 2.617 -3.714 25 HD2 ARG 3 HD2 ARG 3 58.667 1.614 -5.875 26 HD3 ARG 3 HD1 ARG 3 57.574 2.983 -5.565 27 HE ARG 3 HE ARG 3 59.923 3.794 -7.076 28 HH11 ARG 3 HH11 ARG 3 57.019 4.694 -7.414 29 HH12 ARG 3 HH12 ARG 3 56.654 4.049 -8.980 30 HH21 ARG 3 HH21 ARG 3 59.386 1.912 -9.027 31 HH22 ARG 3 HH22 ARG 3 57.994 2.474 -9.892 32 H LYS 4 HN LYS 4 58.472 5.931 -1.957 33 HA LYS 4 HA LYS 4 59.446 8.763 -1.797 34 HB2 LYS 4 HB2 LYS 4 56.509 8.201 -2.321 35 HB3 LYS 4 HB1 LYS 4 57.429 9.708 -2.556 36 HG2 LYS 4 HG2 LYS 4 58.731 8.538 -4.380 37 HG3 LYS 4 HG1 LYS 4 57.624 7.154 -4.204 38 HD2 LYS 4 HD2 LYS 4 55.707 8.538 -4.790 39 HD3 LYS 4 HD1 LYS 4 56.717 10.003 -4.803 40 HE2 LYS 4 HE2 LYS 4 57.191 7.607 -6.625 41 HE3 LYS 4 HE1 LYS 4 56.253 9.043 -7.101 42 HZ1 LYS 4 HZ1 LYS 4 58.301 9.684 -7.797 43 HZ2 LYS 4 HZ2 LYS 4 59.131 8.755 -6.641 44 HZ3 LYS 4 HZ3 LYS 4 58.417 10.231 -6.195 45 H ARG 5 HN ARG 5 59.272 6.328 -0.019 46 HA ARG 5 HA ARG 5 58.648 5.852 2.165 47 HB2 ARG 5 HB2 ARG 5 58.331 8.879 2.308 48 HB3 ARG 5 HB1 ARG 5 58.475 7.777 3.699 49 HG2 ARG 5 HG2 ARG 5 60.704 7.051 2.903 50 HG3 ARG 5 HG1 ARG 5 60.566 8.150 1.510 51 HD2 ARG 5 HD2 ARG 5 60.547 8.978 4.445 52 HD3 ARG 5 HD1 ARG 5 61.898 9.196 3.307 53 HE ARG 5 HE ARG 5 59.623 10.434 2.153 54 HH11 ARG 5 HH11 ARG 5 62.463 11.321 3.436 55 HH12 ARG 5 HH12 ARG 5 61.917 12.749 4.248 56 HH21 ARG 5 HH21 ARG 5 58.553 12.015 3.841 57 HH22 ARG 5 HH22 ARG 5 59.702 13.143 4.479 58 H LYS 6 HN LYS 6 56.846 6.641 3.943 59 HA LYS 6 HA LYS 6 54.360 5.754 2.796 60 HB2 LYS 6 HB2 LYS 6 54.991 7.101 5.448 61 HB3 LYS 6 HB1 LYS 6 53.422 6.366 5.039 62 HG2 LYS 6 HG2 LYS 6 54.423 4.182 4.778 63 HG3 LYS 6 HG1 LYS 6 56.065 4.853 4.902 64 HD2 LYS 6 HD2 LYS 6 53.979 4.993 7.126 65 HD3 LYS 6 HD1 LYS 6 55.241 3.746 7.023 66 HE2 LYS 6 HE2 LYS 6 56.361 5.260 8.386 67 HE3 LYS 6 HE1 LYS 6 56.821 5.962 6.818 68 HZ1 LYS 6 HZ1 LYS 6 54.306 6.967 7.485 69 HZ2 LYS 6 HZ2 LYS 6 55.783 7.805 7.427 70 HZ3 LYS 6 HZ3 LYS 6 55.263 7.093 8.880 71 H TRP 7 HN TRP 7 54.255 7.314 0.984 72 HA TRP 7 HA TRP 7 52.365 9.410 1.608 73 HB2 TRP 7 HB2 TRP 7 54.536 10.475 2.359 74 HB3 TRP 7 HB1 TRP 7 55.094 10.375 0.672 75 HD1 TRP 7 HD1 TRP 7 54.044 12.020 -1.072 76 HE1 TRP 7 HE1 TRP 7 52.530 14.127 -0.891 77 HE3 TRP 7 HE3 TRP 7 52.546 11.522 3.797 78 HZ2 TRP 7 HZ2 TRP 7 50.899 15.395 1.115 79 HZ3 TRP 7 HZ3 TRP 7 51.011 13.192 4.825 80 HH2 TRP 7 HH2 TRP 7 50.187 15.127 3.490 81 H LEU 8 HN LEU 8 53.994 7.295 -0.419 82 HA LEU 8 HA LEU 8 53.939 8.390 -2.970 83 HB2 LEU 8 HB2 LEU 8 52.742 5.637 -2.808 84 HB3 LEU 8 HB1 LEU 8 54.130 6.228 -3.745 85 HG LEU 8 HG LEU 8 55.291 6.418 -1.348 86 HD11 LEU 8 HD11 LEU 8 53.001 5.755 -0.257 87 HD12 LEU 8 HD12 LEU 8 54.475 4.961 0.341 88 HD13 LEU 8 HD13 LEU 8 53.395 4.104 -0.783 89 HD21 LEU 8 HD21 LEU 8 56.124 4.931 -3.075 90 HD22 LEU 8 HD22 LEU 8 54.765 3.807 -2.834 91 HD23 LEU 8 HD23 LEU 8 55.999 3.995 -1.566 92 H ARG 9 HN ARG 9 51.215 6.342 -1.848 93 HA ARG 9 HA ARG 9 49.180 8.296 -2.319 94 HB2 ARG 9 HB2 ARG 9 48.215 7.141 -4.428 95 HB3 ARG 9 HB1 ARG 9 49.586 8.248 -4.650 96 HG2 ARG 9 HG2 ARG 9 49.950 6.204 -5.955 97 HG3 ARG 9 HG1 ARG 9 51.146 6.295 -4.649 98 HD2 ARG 9 HD2 ARG 9 50.119 4.571 -3.413 99 HD3 ARG 9 HD1 ARG 9 48.541 4.795 -4.212 100 HE ARG 9 HE ARG 9 50.884 3.329 -5.326 101 HH11 ARG 9 HH11 ARG 9 48.943 5.184 -7.075 102 HH12 ARG 9 HH12 ARG 9 48.010 3.934 -7.824 103 HH21 ARG 9 HH21 ARG 9 49.139 1.443 -5.697 104 HH22 ARG 9 HH22 ARG 9 48.119 1.820 -7.045 105 H ARG 10 HN ARG 10 50.214 5.869 -0.734 106 HA ARG 10 HA ARG 10 48.589 3.640 -0.872 107 HB2 ARG 10 HB2 ARG 10 48.596 3.913 1.821 108 HB3 ARG 10 HB1 ARG 10 50.064 3.487 0.913 109 HG2 ARG 10 HG2 ARG 10 50.866 5.751 0.948 110 HG3 ARG 10 HG1 ARG 10 49.307 6.373 1.537 111 HD2 ARG 10 HD2 ARG 10 51.197 4.521 3.057 112 HD3 ARG 10 HD1 ARG 10 50.931 6.249 3.386 113 HE ARG 10 HE ARG 10 48.445 4.750 3.473 114 HH11 ARG 10 HH11 ARG 10 50.748 6.501 5.196 115 HH12 ARG 10 HH12 ARG 10 50.317 5.867 6.750 116 HH21 ARG 10 HH21 ARG 10 48.125 3.504 5.470 117 HH22 ARG 10 HH22 ARG 10 48.831 4.170 6.905 118 H ILE 11 HN ILE 11 47.618 5.835 1.745 119 HA ILE 11 HA ILE 11 44.781 5.327 1.022 120 HB ILE 11 HB ILE 11 44.318 6.599 3.156 121 HG12 ILE 11 HG12 ILE 11 47.316 6.380 3.690 122 HG13 ILE 11 HG11 ILE 11 46.621 7.847 2.972 123 HG21 ILE 11 HG21 ILE 11 46.282 4.279 3.452 124 HG22 ILE 11 HG22 ILE 11 44.565 4.099 3.023 125 HG23 ILE 11 HG23 ILE 11 45.019 4.760 4.608 126 HD11 ILE 11 HD1 ILE 11 45.012 7.949 4.933 127 HD12 ILE 11 HD2 ILE 11 46.721 8.189 5.359 128 HD13 ILE 11 HD3 ILE 11 45.939 6.625 5.679 129 H GLY 12 HN GLY 12 47.207 7.625 0.380 130 HA2 GLY 12 HA1 GLY 12 45.813 10.079 0.470 131 HA3 GLY 12 HA2 GLY 12 47.105 9.682 -0.686 132 H LYS 13 HN LYS 13 45.954 7.624 -2.119 133 HA LYS 13 HA LYS 13 44.510 8.897 -4.129 134 HB2 LYS 13 HB2 LYS 13 45.417 6.613 -4.320 135 HB3 LYS 13 HB1 LYS 13 44.192 6.024 -3.171 136 HG2 LYS 13 HG2 LYS 13 42.394 6.539 -4.693 137 HG3 LYS 13 HG1 LYS 13 43.487 7.433 -5.777 138 HD2 LYS 13 HD2 LYS 13 42.997 5.169 -6.664 139 HD3 LYS 13 HD1 LYS 13 44.721 5.344 -6.266 140 HE2 LYS 13 HE2 LYS 13 44.539 3.998 -4.328 141 HE3 LYS 13 HE1 LYS 13 42.775 4.217 -4.221 142 HZ1 LYS 13 HZ1 LYS 13 42.511 2.404 -5.435 143 HZ2 LYS 13 HZ2 LYS 13 44.194 2.181 -5.518 144 HZ3 LYS 13 HZ3 LYS 13 43.393 3.083 -6.714 145 H GLY 14 HN GLY 14 43.464 8.099 -0.949 146 HA2 GLY 14 HA1 GLY 14 40.572 8.279 -1.659 147 HA3 GLY 14 HA2 GLY 14 41.260 7.803 -0.094 148 H VAL 15 HN VAL 15 43.084 9.934 0.314 149 HA VAL 15 HA VAL 15 41.114 12.181 0.750 150 HB VAL 15 HB VAL 15 42.753 12.905 2.550 151 HG11 VAL 15 HG11 VAL 15 42.019 11.117 4.146 152 HG12 VAL 15 HG12 VAL 15 41.464 10.149 2.759 153 HG13 VAL 15 HG13 VAL 15 40.694 11.713 3.119 154 HG21 VAL 15 HG21 VAL 15 44.276 11.074 3.394 155 HG22 VAL 15 HG22 VAL 15 44.763 11.732 1.818 156 HG23 VAL 15 HG23 VAL 15 43.931 10.162 1.909 157 H LYS 16 HN LYS 16 44.509 11.453 -0.160 158 HA LYS 16 HA LYS 16 45.372 14.091 -0.641 159 HB2 LYS 16 HB2 LYS 16 46.813 12.050 -0.748 160 HB3 LYS 16 HB1 LYS 16 46.052 11.637 -2.303 161 HG2 LYS 16 HG2 LYS 16 46.874 13.675 -3.331 162 HG3 LYS 16 HG1 LYS 16 47.451 14.289 -1.766 163 HD2 LYS 16 HD2 LYS 16 49.310 13.359 -3.141 164 HD3 LYS 16 HD1 LYS 16 49.096 12.469 -1.615 165 HE2 LYS 16 HE2 LYS 16 49.394 11.104 -3.838 166 HE3 LYS 16 HE1 LYS 16 48.131 10.599 -2.692 167 HZ1 LYS 16 HZ1 LYS 16 46.486 11.322 -4.055 168 HZ2 LYS 16 HZ2 LYS 16 47.648 10.996 -5.251 169 HZ3 LYS 16 HZ3 LYS 16 47.402 12.589 -4.713 170 H ILE 17 HN ILE 17 43.438 11.910 -2.684 171 HA ILE 17 HA ILE 17 43.510 13.663 -4.993 172 HB ILE 17 HB ILE 17 42.955 11.116 -4.882 173 HG12 ILE 17 HG12 ILE 17 41.108 12.903 -6.539 174 HG13 ILE 17 HG11 ILE 17 42.806 12.571 -6.942 175 HG21 ILE 17 HG21 ILE 17 40.117 12.148 -4.519 176 HG22 ILE 17 HG22 ILE 17 41.091 11.539 -3.161 177 HG23 ILE 17 HG23 ILE 17 40.688 10.463 -4.517 178 HD11 ILE 17 HD1 ILE 17 40.472 10.628 -6.860 179 HD12 ILE 17 HD2 ILE 17 42.161 10.065 -6.830 180 HD13 ILE 17 HD3 ILE 17 41.558 10.999 -8.218 181 H ILE 18 HN ILE 18 42.522 14.587 -2.161 182 HA ILE 18 HA ILE 18 40.991 16.142 -1.394 183 HB ILE 18 HB ILE 18 40.248 16.684 -4.300 184 HG12 ILE 18 HG12 ILE 18 42.638 17.704 -2.693 185 HG13 ILE 18 HG11 ILE 18 42.708 16.640 -4.117 186 HG21 ILE 18 HG21 ILE 18 38.988 17.744 -2.316 187 HG22 ILE 18 HG22 ILE 18 39.678 18.869 -3.506 188 HG23 ILE 18 HG23 ILE 18 40.501 18.605 -1.950 189 HD11 ILE 18 HD1 ILE 18 41.414 18.534 -5.351 190 HD12 ILE 18 HD2 ILE 18 43.136 18.806 -4.993 191 HD13 ILE 18 HD3 ILE 18 41.888 19.561 -3.976 192 H GLY 19 HN GLY 19 39.373 15.202 -0.330 193 HA2 GLY 19 HA1 GLY 19 36.772 15.037 -1.298 194 HA3 GLY 19 HA2 GLY 19 37.471 13.441 -1.642 195 H GLY 20 HN GLY 20 39.097 14.639 0.983 196 HA2 GLY 20 HA1 GLY 20 37.202 14.248 3.099 197 HA3 GLY 20 HA2 GLY 20 38.072 12.731 2.794 198 H ALA 21 HN ALA 21 40.072 15.225 1.877 199 HA ALA 21 HA ALA 21 41.820 14.797 4.158 200 HB1 ALA 21 HB1 ALA 21 43.215 16.549 3.050 201 HB2 ALA 21 HB2 ALA 21 41.910 16.786 1.864 202 HB3 ALA 21 HB3 ALA 21 42.753 15.222 1.960 203 H ALA 22 HN ALA 22 40.858 17.988 2.877 204 HA ALA 22 HA ALA 22 41.035 19.184 5.510 205 HB1 ALA 22 HB1 ALA 22 41.444 20.364 3.329 206 HB2 ALA 22 HB2 ALA 22 40.319 21.211 4.417 207 HB3 ALA 22 HB3 ALA 22 39.693 20.296 3.023 208 H LEU 23 HN LEU 23 38.493 17.681 3.632 209 HA LEU 23 HA LEU 23 36.316 18.836 5.231 210 HB2 LEU 23 HB2 LEU 23 36.514 16.673 3.112 211 HB3 LEU 23 HB1 LEU 23 34.999 16.964 3.989 212 HG LEU 23 HG LEU 23 35.253 18.164 1.743 213 HD11 LEU 23 HD11 LEU 23 33.726 18.878 3.738 214 HD12 LEU 23 HD12 LEU 23 34.037 20.060 2.450 215 HD13 LEU 23 HD13 LEU 23 34.906 20.183 3.992 216 HD21 LEU 23 HD21 LEU 23 37.129 19.998 3.300 217 HD22 LEU 23 HD22 LEU 23 36.677 20.100 1.582 218 HD23 LEU 23 HD23 LEU 23 37.691 18.756 2.156 219 H ASP 24 HN ASP 24 38.393 17.604 6.794 220 HA ASP 24 HA ASP 24 36.719 15.935 8.472 221 HB2 ASP 24 HB2 ASP 24 37.319 14.290 6.679 222 HB3 ASP 24 HB1 ASP 24 39.036 14.538 7.079 223 H HIS 25 HN HIS 25 39.747 17.421 7.592 224 HA HIS 25 HA HIS 25 41.544 18.126 8.882 225 HB2 HIS 25 HB2 HIS 25 39.704 19.390 9.997 226 HB3 HIS 25 HB1 HIS 25 39.504 18.042 11.140 227 HD1 HIS 25 HD1 HIS 25 42.645 19.827 9.800 228 HD2 HIS 25 HD2 HIS 25 40.769 18.888 13.445 229 HE1 HIS 25 HE1 HIS 25 44.205 20.583 11.677 230 H LEU 26 HN LEU 26 42.094 15.700 8.395 231 HA LEU 26 HA LEU 26 42.030 13.881 10.645 232 HB2 LEU 26 HB2 LEU 26 43.920 12.726 9.205 233 HB3 LEU 26 HB1 LEU 26 42.252 12.768 8.596 234 HG LEU 26 HG LEU 26 42.753 14.653 7.145 235 HD11 LEU 26 HD11 LEU 26 44.269 15.982 8.455 236 HD12 LEU 26 HD12 LEU 26 45.195 15.456 7.033 237 HD13 LEU 26 HD13 LEU 26 45.431 14.642 8.596 238 HD21 LEU 26 HD21 LEU 26 44.956 12.545 7.041 239 HD22 LEU 26 HD22 LEU 26 44.491 13.618 5.699 240 HD23 LEU 26 HD23 LEU 26 43.339 12.408 6.311 Start of MODEL 31 1 H1 GLY 1 HT1 GLY 1 56.564 -1.268 -1.972 2 H2 GLY 1 HT2 GLY 1 57.219 -0.553 -0.576 3 H3 GLY 1 HT3 GLY 1 58.076 -1.771 -1.394 4 HA2 GLY 1 HA1 GLY 1 59.078 -0.306 -2.615 5 HA3 GLY 1 HA2 GLY 1 57.495 0.211 -3.230 6 H ARG 2 HN ARG 2 59.985 0.735 -0.777 7 HA ARG 2 HA ARG 2 58.635 3.058 0.381 8 HB2 ARG 2 HB2 ARG 2 61.599 2.436 0.601 9 HB3 ARG 2 HB1 ARG 2 60.536 3.244 1.780 10 HG2 ARG 2 HG2 ARG 2 60.447 0.305 0.963 11 HG3 ARG 2 HG1 ARG 2 60.980 0.957 2.530 12 HD2 ARG 2 HD2 ARG 2 58.628 2.002 2.720 13 HD3 ARG 2 HD1 ARG 2 58.175 0.951 1.356 14 HE ARG 2 HE ARG 2 58.335 0.078 4.039 15 HH11 ARG 2 HH11 ARG 2 57.114 -1.854 2.453 16 HH12 ARG 2 HH12 ARG 2 58.320 -3.054 2.129 17 HH21 ARG 2 HH21 ARG 2 60.977 -0.991 2.973 18 HH22 ARG 2 HH22 ARG 2 60.508 -2.566 2.424 19 H ARG 3 HN ARG 3 58.319 3.810 -2.026 20 HA ARG 3 HA ARG 3 60.635 5.103 -3.245 21 HB2 ARG 3 HB2 ARG 3 57.646 5.376 -3.754 22 HB3 ARG 3 HB1 ARG 3 58.923 6.099 -4.765 23 HG2 ARG 3 HG2 ARG 3 59.886 3.784 -5.077 24 HG3 ARG 3 HG1 ARG 3 58.460 3.134 -4.234 25 HD2 ARG 3 HD2 ARG 3 56.986 4.206 -5.931 26 HD3 ARG 3 HD1 ARG 3 58.428 4.801 -6.789 27 HE ARG 3 HE ARG 3 57.380 2.093 -6.902 28 HH11 ARG 3 HH11 ARG 3 59.825 1.123 -5.964 29 HH12 ARG 3 HH12 ARG 3 60.936 1.259 -7.286 30 HH21 ARG 3 HH21 ARG 3 58.986 3.529 -9.038 31 HH22 ARG 3 HH22 ARG 3 60.461 2.620 -9.026 32 H LYS 4 HN LYS 4 57.968 6.063 -1.113 33 HA LYS 4 HA LYS 4 59.409 8.619 -0.556 34 HB2 LYS 4 HB2 LYS 4 56.430 8.592 -1.169 35 HB3 LYS 4 HB1 LYS 4 57.489 10.000 -0.914 36 HG2 LYS 4 HG2 LYS 4 58.804 9.270 -2.958 37 HG3 LYS 4 HG1 LYS 4 57.538 8.054 -3.255 38 HD2 LYS 4 HD2 LYS 4 55.832 9.898 -3.266 39 HD3 LYS 4 HD1 LYS 4 57.159 11.076 -3.116 40 HE2 LYS 4 HE2 LYS 4 58.097 10.411 -5.240 41 HE3 LYS 4 HE1 LYS 4 56.994 9.019 -5.356 42 HZ1 LYS 4 HZ1 LYS 4 56.519 11.395 -6.481 43 HZ2 LYS 4 HZ2 LYS 4 55.720 11.607 -4.997 44 HZ3 LYS 4 HZ3 LYS 4 55.297 10.315 -6.014 45 H ARG 5 HN ARG 5 58.934 6.050 0.843 46 HA ARG 5 HA ARG 5 58.335 5.331 2.961 47 HB2 ARG 5 HB2 ARG 5 58.154 8.306 3.584 48 HB3 ARG 5 HB1 ARG 5 58.322 6.991 4.765 49 HG2 ARG 5 HG2 ARG 5 60.341 7.499 2.536 50 HG3 ARG 5 HG1 ARG 5 60.485 8.217 4.153 51 HD2 ARG 5 HD2 ARG 5 60.272 5.762 5.033 52 HD3 ARG 5 HD1 ARG 5 60.647 5.291 3.359 53 HE ARG 5 HE ARG 5 62.873 5.905 3.791 54 HH11 ARG 5 HH11 ARG 5 61.203 6.384 6.624 55 HH12 ARG 5 HH12 ARG 5 62.234 7.629 7.247 56 HH21 ARG 5 HH21 ARG 5 64.010 8.004 4.292 57 HH22 ARG 5 HH22 ARG 5 63.823 8.546 5.926 58 H LYS 6 HN LYS 6 56.427 8.352 3.022 59 HA LYS 6 HA LYS 6 53.908 6.787 2.687 60 HB2 LYS 6 HB2 LYS 6 54.344 8.623 5.073 61 HB3 LYS 6 HB1 LYS 6 52.938 7.583 4.739 62 HG2 LYS 6 HG2 LYS 6 54.503 5.587 4.838 63 HG3 LYS 6 HG1 LYS 6 55.774 6.694 5.413 64 HD2 LYS 6 HD2 LYS 6 54.393 7.328 7.344 65 HD3 LYS 6 HD1 LYS 6 53.063 6.300 6.755 66 HE2 LYS 6 HE2 LYS 6 54.539 4.305 6.934 67 HE3 LYS 6 HE1 LYS 6 55.844 5.340 7.565 68 HZ1 LYS 6 HZ1 LYS 6 54.882 4.627 9.495 69 HZ2 LYS 6 HZ2 LYS 6 53.320 4.524 8.835 70 HZ3 LYS 6 HZ3 LYS 6 53.977 6.037 9.240 71 H TRP 7 HN TRP 7 54.128 8.038 0.655 72 HA TRP 7 HA TRP 7 52.515 10.454 0.842 73 HB2 TRP 7 HB2 TRP 7 54.766 11.358 1.443 74 HB3 TRP 7 HB1 TRP 7 55.389 10.764 -0.114 75 HD1 TRP 7 HD1 TRP 7 54.884 12.156 -2.234 76 HE1 TRP 7 HE1 TRP 7 53.689 14.414 -2.715 77 HE3 TRP 7 HE3 TRP 7 52.697 12.899 2.335 78 HZ2 TRP 7 HZ2 TRP 7 52.017 16.271 -1.283 79 HZ3 TRP 7 HZ3 TRP 7 51.308 14.923 2.755 80 HH2 TRP 7 HH2 TRP 7 50.966 16.607 0.952 81 H LEU 8 HN LEU 8 53.341 7.693 -0.592 82 HA LEU 8 HA LEU 8 53.428 8.465 -3.394 83 HB2 LEU 8 HB2 LEU 8 52.652 5.908 -3.585 84 HB3 LEU 8 HB1 LEU 8 54.313 6.327 -3.116 85 HG LEU 8 HG LEU 8 52.267 6.120 -0.892 86 HD11 LEU 8 HD11 LEU 8 53.405 3.736 -2.410 87 HD12 LEU 8 HD12 LEU 8 51.692 4.120 -2.115 88 HD13 LEU 8 HD13 LEU 8 52.740 3.628 -0.763 89 HD21 LEU 8 HD21 LEU 8 54.149 5.481 0.413 90 HD22 LEU 8 HD22 LEU 8 54.811 6.700 -0.701 91 HD23 LEU 8 HD23 LEU 8 55.086 4.971 -1.012 92 H ARG 9 HN ARG 9 50.977 6.192 -2.245 93 HA ARG 9 HA ARG 9 48.746 8.012 -2.510 94 HB2 ARG 9 HB2 ARG 9 49.642 7.630 -4.953 95 HB3 ARG 9 HB1 ARG 9 48.907 6.021 -4.797 96 HG2 ARG 9 HG2 ARG 9 47.091 7.207 -5.680 97 HG3 ARG 9 HG1 ARG 9 46.785 7.433 -3.944 98 HD2 ARG 9 HD2 ARG 9 46.585 9.575 -5.163 99 HD3 ARG 9 HD1 ARG 9 47.955 9.627 -4.029 100 HE ARG 9 HE ARG 9 48.729 8.772 -6.718 101 HH11 ARG 9 HH11 ARG 9 47.496 11.574 -5.238 102 HH12 ARG 9 HH12 ARG 9 48.745 12.621 -5.824 103 HH21 ARG 9 HH21 ARG 9 50.611 10.053 -7.217 104 HH22 ARG 9 HH22 ARG 9 50.509 11.760 -6.944 105 H ARG 10 HN ARG 10 49.890 5.836 -0.823 106 HA ARG 10 HA ARG 10 48.458 3.421 -1.024 107 HB2 ARG 10 HB2 ARG 10 48.523 3.667 1.666 108 HB3 ARG 10 HB1 ARG 10 49.996 3.353 0.720 109 HG2 ARG 10 HG2 ARG 10 50.696 5.621 0.812 110 HG3 ARG 10 HG1 ARG 10 49.090 6.196 1.310 111 HD2 ARG 10 HD2 ARG 10 50.615 6.195 3.239 112 HD3 ARG 10 HD1 ARG 10 49.347 4.968 3.471 113 HE ARG 10 HE ARG 10 51.645 3.780 2.204 114 HH11 ARG 10 HH11 ARG 10 53.590 3.640 3.642 115 HH12 ARG 10 HH12 ARG 10 53.245 3.268 5.299 116 HH21 ARG 10 HH21 ARG 10 49.849 3.910 5.013 117 HH22 ARG 10 HH22 ARG 10 51.128 3.422 6.074 118 H ILE 11 HN ILE 11 47.469 5.530 1.639 119 HA ILE 11 HA ILE 11 44.640 4.885 1.058 120 HB ILE 11 HB ILE 11 44.231 6.260 3.159 121 HG12 ILE 11 HG12 ILE 11 47.260 6.147 3.525 122 HG13 ILE 11 HG11 ILE 11 46.478 7.561 2.789 123 HG21 ILE 11 HG21 ILE 11 46.274 4.008 3.441 124 HG22 ILE 11 HG22 ILE 11 44.538 3.767 3.133 125 HG23 ILE 11 HG23 ILE 11 45.074 4.513 4.653 126 HD11 ILE 11 HD1 ILE 11 46.703 8.021 5.143 127 HD12 ILE 11 HD2 ILE 11 46.012 6.444 5.584 128 HD13 ILE 11 HD3 ILE 11 44.982 7.691 4.843 129 H GLY 12 HN GLY 12 46.926 7.350 0.343 130 HA2 GLY 12 HA1 GLY 12 45.351 9.684 0.320 131 HA3 GLY 12 HA2 GLY 12 46.676 9.342 -0.816 132 H LYS 13 HN LYS 13 45.612 7.071 -2.076 133 HA LYS 13 HA LYS 13 44.176 8.092 -4.222 134 HB2 LYS 13 HB2 LYS 13 45.080 5.834 -4.232 135 HB3 LYS 13 HB1 LYS 13 43.980 5.347 -2.925 136 HG2 LYS 13 HG2 LYS 13 42.053 5.532 -4.344 137 HG3 LYS 13 HG1 LYS 13 42.977 6.384 -5.603 138 HD2 LYS 13 HD2 LYS 13 42.548 3.951 -6.129 139 HD3 LYS 13 HD1 LYS 13 44.272 4.383 -6.095 140 HE2 LYS 13 HE2 LYS 13 42.932 3.332 -3.579 141 HE3 LYS 13 HE1 LYS 13 43.475 2.204 -4.845 142 HZ1 LYS 13 HZ1 LYS 13 45.611 3.779 -4.636 143 HZ2 LYS 13 HZ2 LYS 13 45.404 2.358 -3.727 144 HZ3 LYS 13 HZ3 LYS 13 45.040 3.869 -3.042 145 H GLY 14 HN GLY 14 43.070 7.586 -0.992 146 HA2 GLY 14 HA1 GLY 14 40.193 7.753 -1.794 147 HA3 GLY 14 HA2 GLY 14 40.825 7.297 -0.202 148 H VAL 15 HN VAL 15 42.634 9.382 0.305 149 HA VAL 15 HA VAL 15 40.678 11.653 0.630 150 HB VAL 15 HB VAL 15 42.265 12.415 2.440 151 HG11 VAL 15 HG11 VAL 15 41.502 10.745 4.062 152 HG12 VAL 15 HG12 VAL 15 41.198 9.575 2.757 153 HG13 VAL 15 HG13 VAL 15 40.209 11.050 2.878 154 HG21 VAL 15 HG21 VAL 15 44.313 11.304 1.705 155 HG22 VAL 15 HG22 VAL 15 43.538 9.707 1.837 156 HG23 VAL 15 HG23 VAL 15 43.858 10.664 3.301 157 H LYS 16 HN LYS 16 44.038 10.886 -0.347 158 HA LYS 16 HA LYS 16 44.716 13.643 -0.899 159 HB2 LYS 16 HB2 LYS 16 46.352 11.744 -0.514 160 HB3 LYS 16 HB1 LYS 16 45.956 11.166 -2.151 161 HG2 LYS 16 HG2 LYS 16 46.684 13.293 -3.124 162 HG3 LYS 16 HG1 LYS 16 46.984 13.964 -1.504 163 HD2 LYS 16 HD2 LYS 16 48.697 12.221 -1.096 164 HD3 LYS 16 HD1 LYS 16 48.405 11.556 -2.722 165 HE2 LYS 16 HE2 LYS 16 49.064 13.729 -3.725 166 HE3 LYS 16 HE1 LYS 16 49.373 14.380 -2.098 167 HZ1 LYS 16 HZ1 LYS 16 51.445 13.659 -2.812 168 HZ2 LYS 16 HZ2 LYS 16 50.834 12.259 -3.554 169 HZ3 LYS 16 HZ3 LYS 16 50.911 12.361 -1.861 170 H ILE 17 HN ILE 17 43.242 11.022 -2.772 171 HA ILE 17 HA ILE 17 43.554 11.951 -5.385 172 HB ILE 17 HB ILE 17 42.369 9.865 -4.833 173 HG12 ILE 17 HG12 ILE 17 40.505 11.770 -6.328 174 HG13 ILE 17 HG11 ILE 17 41.982 11.079 -7.030 175 HG21 ILE 17 HG21 ILE 17 39.989 11.587 -4.035 176 HG22 ILE 17 HG22 ILE 17 41.137 10.927 -2.850 177 HG23 ILE 17 HG23 ILE 17 40.175 9.828 -3.863 178 HD11 ILE 17 HD1 ILE 17 40.211 9.637 -7.730 179 HD12 ILE 17 HD2 ILE 17 39.480 9.616 -6.110 180 HD13 ILE 17 HD3 ILE 17 41.019 8.770 -6.404 181 H ILE 18 HN ILE 18 41.694 13.351 -2.777 182 HA ILE 18 HA ILE 18 40.921 15.617 -4.596 183 HB ILE 18 HB ILE 18 39.112 14.162 -2.608 184 HG12 ILE 18 HG12 ILE 18 38.364 14.963 -5.446 185 HG13 ILE 18 HG11 ILE 18 39.409 13.551 -5.211 186 HG21 ILE 18 HG21 ILE 18 38.715 16.467 -2.138 187 HG22 ILE 18 HG22 ILE 18 37.452 16.041 -3.311 188 HG23 ILE 18 HG23 ILE 18 38.892 16.936 -3.844 189 HD11 ILE 18 HD1 ILE 18 37.710 12.573 -3.658 190 HD12 ILE 18 HD2 ILE 18 37.071 12.832 -5.298 191 HD13 ILE 18 HD3 ILE 18 36.643 13.957 -3.990 192 H GLY 19 HN GLY 19 40.221 14.880 -1.167 193 HA2 GLY 19 HA1 GLY 19 42.239 16.060 0.217 194 HA3 GLY 19 HA2 GLY 19 41.375 17.486 -0.395 195 H GLY 20 HN GLY 20 39.806 14.427 0.423 196 HA2 GLY 20 HA1 GLY 20 38.286 13.912 2.089 197 HA3 GLY 20 HA2 GLY 20 39.102 15.110 3.113 198 H ALA 21 HN ALA 21 38.254 16.653 0.303 199 HA ALA 21 HA ALA 21 36.088 18.098 1.642 200 HB1 ALA 21 HB1 ALA 21 36.058 19.449 -0.401 201 HB2 ALA 21 HB2 ALA 21 37.128 18.276 -1.207 202 HB3 ALA 21 HB3 ALA 21 37.726 19.223 0.178 203 H ALA 22 HN ALA 22 35.756 15.176 0.974 204 HA ALA 22 HA ALA 22 33.019 15.409 -0.017 205 HB1 ALA 22 HB1 ALA 22 35.077 13.970 -1.728 206 HB2 ALA 22 HB2 ALA 22 34.230 15.475 -2.156 207 HB3 ALA 22 HB3 ALA 22 33.317 13.957 -1.984 208 H LEU 23 HN LEU 23 35.823 13.272 0.587 209 HA LEU 23 HA LEU 23 34.107 11.011 1.309 210 HB2 LEU 23 HB2 LEU 23 36.503 10.937 0.333 211 HB3 LEU 23 HB1 LEU 23 37.051 11.343 1.973 212 HG LEU 23 HG LEU 23 35.494 9.305 2.700 213 HD11 LEU 23 HD11 LEU 23 35.536 7.495 0.947 214 HD12 LEU 23 HD12 LEU 23 36.060 8.708 -0.242 215 HD13 LEU 23 HD13 LEU 23 34.464 8.849 0.530 216 HD21 LEU 23 HD21 LEU 23 37.939 9.344 2.979 217 HD22 LEU 23 HD22 LEU 23 38.160 8.925 1.263 218 HD23 LEU 23 HD23 LEU 23 37.419 7.751 2.379 219 H ASP 24 HN ASP 24 33.270 13.201 2.758 220 HA ASP 24 HA ASP 24 33.473 12.172 5.456 221 HB2 ASP 24 HB2 ASP 24 35.668 13.313 5.351 222 HB3 ASP 24 HB1 ASP 24 34.852 14.829 4.896 223 H HIS 25 HN HIS 25 32.783 14.956 3.344 224 HA HIS 25 HA HIS 25 30.952 16.366 3.244 225 HB2 HIS 25 HB2 HIS 25 29.770 14.119 3.119 226 HB3 HIS 25 HB1 HIS 25 29.469 14.261 4.866 227 HD1 HIS 25 HD1 HIS 25 27.126 15.023 5.227 228 HD2 HIS 25 HD2 HIS 25 28.895 16.905 1.908 229 HE1 HIS 25 HE1 HIS 25 25.443 16.722 4.329 230 H LEU 26 HN LEU 26 30.377 18.166 4.307 231 HA LEU 26 HA LEU 26 31.311 18.529 7.025 232 HB2 LEU 26 HB2 LEU 26 29.668 20.203 5.095 233 HB3 LEU 26 HB1 LEU 26 29.973 20.747 6.761 234 HG LEU 26 HG LEU 26 32.391 20.646 6.401 235 HD11 LEU 26 HD11 LEU 26 31.574 19.442 3.727 236 HD12 LEU 26 HD12 LEU 26 32.708 18.795 4.938 237 HD13 LEU 26 HD13 LEU 26 33.165 20.206 3.959 238 HD21 LEU 26 HD21 LEU 26 30.947 22.039 4.097 239 HD22 LEU 26 HD22 LEU 26 32.594 22.412 4.664 240 HD23 LEU 26 HD23 LEU 26 31.197 22.709 5.727 Start of MODEL 32 1 H1 GLY 1 HT1 GLY 1 59.326 -0.699 2.718 2 H2 GLY 1 HT2 GLY 1 59.897 -2.123 1.987 3 H3 GLY 1 HT3 GLY 1 58.692 -1.196 1.227 4 HA2 GLY 1 HA1 GLY 1 61.553 -0.712 1.477 5 HA3 GLY 1 HA2 GLY 1 60.502 -0.591 0.053 6 H ARG 2 HN ARG 2 62.317 1.405 0.677 7 HA ARG 2 HA ARG 2 61.101 3.515 2.242 8 HB2 ARG 2 HB2 ARG 2 63.235 3.622 0.072 9 HB3 ARG 2 HB1 ARG 2 62.828 4.950 1.186 10 HG2 ARG 2 HG2 ARG 2 63.378 3.466 3.119 11 HG3 ARG 2 HG1 ARG 2 63.857 2.189 1.974 12 HD2 ARG 2 HD2 ARG 2 65.807 3.528 2.817 13 HD3 ARG 2 HD1 ARG 2 65.616 3.613 1.048 14 HE ARG 2 HE ARG 2 65.338 5.930 1.332 15 HH11 ARG 2 HH11 ARG 2 65.102 4.407 4.365 16 HH12 ARG 2 HH12 ARG 2 64.317 5.739 5.146 17 HH21 ARG 2 HH21 ARG 2 63.973 7.588 2.233 18 HH22 ARG 2 HH22 ARG 2 63.678 7.539 3.939 19 H ARG 3 HN ARG 3 61.789 3.494 -1.283 20 HA ARG 3 HA ARG 3 60.598 4.394 -3.050 21 HB2 ARG 3 HB2 ARG 3 58.106 4.121 -1.338 22 HB3 ARG 3 HB1 ARG 3 58.229 4.084 -3.111 23 HG2 ARG 3 HG2 ARG 3 59.348 2.016 -1.165 24 HG3 ARG 3 HG1 ARG 3 57.966 1.800 -2.264 25 HD2 ARG 3 HD2 ARG 3 60.912 2.052 -2.947 26 HD3 ARG 3 HD1 ARG 3 59.758 0.788 -3.435 27 HE ARG 3 HE ARG 3 60.217 3.278 -4.833 28 HH11 ARG 3 HH11 ARG 3 58.773 0.428 -5.318 29 HH12 ARG 3 HH12 ARG 3 57.298 1.021 -6.006 30 HH21 ARG 3 HH21 ARG 3 57.892 4.316 -5.104 31 HH22 ARG 3 HH22 ARG 3 56.801 3.223 -5.886 32 H LYS 4 HN LYS 4 58.501 5.616 -0.409 33 HA LYS 4 HA LYS 4 59.633 8.331 -0.692 34 HB2 LYS 4 HB2 LYS 4 57.892 7.971 -2.574 35 HB3 LYS 4 HB1 LYS 4 56.674 7.936 -1.279 36 HG2 LYS 4 HG2 LYS 4 57.379 10.176 -0.524 37 HG3 LYS 4 HG1 LYS 4 58.654 10.208 -1.765 38 HD2 LYS 4 HD2 LYS 4 56.871 9.946 -3.523 39 HD3 LYS 4 HD1 LYS 4 55.646 10.097 -2.241 40 HE2 LYS 4 HE2 LYS 4 56.421 12.330 -1.674 41 HE3 LYS 4 HE1 LYS 4 57.803 12.179 -2.786 42 HZ1 LYS 4 HZ1 LYS 4 56.337 13.277 -4.114 43 HZ2 LYS 4 HZ2 LYS 4 54.960 12.605 -3.378 44 HZ3 LYS 4 HZ3 LYS 4 55.870 11.688 -4.483 45 H ARG 5 HN ARG 5 59.810 6.783 1.497 46 HA ARG 5 HA ARG 5 59.191 6.582 3.731 47 HB2 ARG 5 HB2 ARG 5 58.327 9.453 3.175 48 HB3 ARG 5 HB1 ARG 5 58.460 8.738 4.794 49 HG2 ARG 5 HG2 ARG 5 60.575 9.720 4.619 50 HG3 ARG 5 HG1 ARG 5 60.940 8.112 3.964 51 HD2 ARG 5 HD2 ARG 5 61.873 9.922 2.540 52 HD3 ARG 5 HD1 ARG 5 60.652 8.980 1.659 53 HE ARG 5 HE ARG 5 59.308 11.167 2.862 54 HH11 ARG 5 HH11 ARG 5 59.639 10.356 -0.128 55 HH12 ARG 5 HH12 ARG 5 60.254 11.840 -0.775 56 HH21 ARG 5 HH21 ARG 5 61.027 13.178 2.330 57 HH22 ARG 5 HH22 ARG 5 61.039 13.439 0.618 58 H LYS 6 HN LYS 6 57.284 5.502 1.952 59 HA LYS 6 HA LYS 6 55.074 4.797 1.912 60 HB2 LYS 6 HB2 LYS 6 55.141 5.657 4.832 61 HB3 LYS 6 HB1 LYS 6 53.954 4.559 4.086 62 HG2 LYS 6 HG2 LYS 6 55.704 2.945 3.554 63 HG3 LYS 6 HG1 LYS 6 56.962 4.064 4.133 64 HD2 LYS 6 HD2 LYS 6 56.059 3.963 6.409 65 HD3 LYS 6 HD1 LYS 6 54.718 2.931 5.858 66 HE2 LYS 6 HE2 LYS 6 56.244 1.139 5.272 67 HE3 LYS 6 HE1 LYS 6 57.657 2.180 5.571 68 HZ1 LYS 6 HZ1 LYS 6 57.580 1.675 7.715 69 HZ2 LYS 6 HZ2 LYS 6 56.346 0.553 7.392 70 HZ3 LYS 6 HZ3 LYS 6 55.955 2.146 7.838 71 H TRP 7 HN TRP 7 54.486 6.495 0.451 72 HA TRP 7 HA TRP 7 52.249 8.046 1.417 73 HB2 TRP 7 HB2 TRP 7 54.076 9.459 2.331 74 HB3 TRP 7 HB1 TRP 7 54.753 9.619 0.693 75 HD1 TRP 7 HD1 TRP 7 53.807 11.486 -0.770 76 HE1 TRP 7 HE1 TRP 7 51.820 13.157 -0.631 77 HE3 TRP 7 HE3 TRP 7 51.456 9.602 3.369 78 HZ2 TRP 7 HZ2 TRP 7 49.533 13.589 1.064 79 HZ3 TRP 7 HZ3 TRP 7 49.373 10.659 4.230 80 HH2 TRP 7 HH2 TRP 7 48.409 12.650 3.083 81 H LEU 8 HN LEU 8 53.784 6.359 -0.837 82 HA LEU 8 HA LEU 8 53.712 7.725 -3.264 83 HB2 LEU 8 HB2 LEU 8 52.497 4.974 -3.342 84 HB3 LEU 8 HB1 LEU 8 53.856 5.650 -4.265 85 HG LEU 8 HG LEU 8 55.091 5.614 -1.891 86 HD11 LEU 8 HD11 LEU 8 52.824 4.811 -0.824 87 HD12 LEU 8 HD12 LEU 8 54.327 3.999 -0.331 88 HD13 LEU 8 HD13 LEU 8 53.243 3.224 -1.510 89 HD21 LEU 8 HD21 LEU 8 55.790 4.312 -3.873 90 HD22 LEU 8 HD22 LEU 8 54.543 3.090 -3.523 91 HD23 LEU 8 HD23 LEU 8 55.906 3.320 -2.400 92 H ARG 9 HN ARG 9 50.995 5.622 -2.221 93 HA ARG 9 HA ARG 9 49.026 7.719 -2.750 94 HB2 ARG 9 HB2 ARG 9 49.791 5.819 -4.877 95 HB3 ARG 9 HB1 ARG 9 48.066 5.669 -4.484 96 HG2 ARG 9 HG2 ARG 9 49.350 8.389 -4.981 97 HG3 ARG 9 HG1 ARG 9 48.750 7.385 -6.318 98 HD2 ARG 9 HD2 ARG 9 46.507 7.464 -5.526 99 HD3 ARG 9 HD1 ARG 9 47.001 8.039 -3.917 100 HE ARG 9 HE ARG 9 46.818 10.205 -4.811 101 HH11 ARG 9 HH11 ARG 9 48.460 11.375 -6.276 102 HH12 ARG 9 HH12 ARG 9 48.213 11.055 -7.960 103 HH21 ARG 9 HH21 ARG 9 46.171 8.308 -7.412 104 HH22 ARG 9 HH22 ARG 9 46.916 9.320 -8.604 105 H ARG 10 HN ARG 10 50.120 5.495 -0.861 106 HA ARG 10 HA ARG 10 48.255 3.473 -0.426 107 HB2 ARG 10 HB2 ARG 10 48.782 4.101 2.155 108 HB3 ARG 10 HB1 ARG 10 50.004 3.355 1.098 109 HG2 ARG 10 HG2 ARG 10 51.101 5.424 0.691 110 HG3 ARG 10 HG1 ARG 10 49.726 6.380 1.285 111 HD2 ARG 10 HD2 ARG 10 51.343 4.485 3.041 112 HD3 ARG 10 HD1 ARG 10 51.680 6.227 2.899 113 HE ARG 10 HE ARG 10 48.989 6.147 3.543 114 HH11 ARG 10 HH11 ARG 10 48.123 4.985 5.441 115 HH12 ARG 10 HH12 ARG 10 49.182 4.877 6.806 116 HH21 ARG 10 HH21 ARG 10 51.984 5.917 5.049 117 HH22 ARG 10 HH22 ARG 10 51.368 5.406 6.584 118 H ILE 11 HN ILE 11 48.070 6.143 1.899 119 HA ILE 11 HA ILE 11 45.123 5.924 1.856 120 HB ILE 11 HB ILE 11 47.189 7.259 3.626 121 HG12 ILE 11 HG12 ILE 11 46.166 4.869 3.913 122 HG13 ILE 11 HG11 ILE 11 46.284 5.916 5.341 123 HG21 ILE 11 HG21 ILE 11 45.235 8.308 4.932 124 HG22 ILE 11 HG22 ILE 11 44.268 8.091 3.453 125 HG23 ILE 11 HG23 ILE 11 45.718 9.118 3.425 126 HD11 ILE 11 HD1 ILE 11 44.047 4.653 4.961 127 HD12 ILE 11 HD2 ILE 11 43.739 5.826 3.664 128 HD13 ILE 11 HD3 ILE 11 43.949 6.385 5.338 129 H GLY 12 HN GLY 12 47.613 7.855 0.445 130 HA2 GLY 12 HA1 GLY 12 46.298 10.348 0.195 131 HA3 GLY 12 HA2 GLY 12 47.468 9.685 -0.971 132 H LYS 13 HN LYS 13 46.019 7.369 -1.725 133 HA LYS 13 HA LYS 13 44.469 8.303 -3.868 134 HB2 LYS 13 HB2 LYS 13 45.249 5.977 -3.654 135 HB3 LYS 13 HB1 LYS 13 44.135 5.721 -2.290 136 HG2 LYS 13 HG2 LYS 13 42.204 5.999 -3.690 137 HG3 LYS 13 HG1 LYS 13 43.186 6.616 -5.040 138 HD2 LYS 13 HD2 LYS 13 42.512 4.229 -5.369 139 HD3 LYS 13 HD1 LYS 13 44.278 4.431 -5.292 140 HE2 LYS 13 HE2 LYS 13 44.407 3.528 -3.102 141 HE3 LYS 13 HE1 LYS 13 42.671 3.778 -2.794 142 HZ1 LYS 13 HZ1 LYS 13 43.165 1.457 -3.250 143 HZ2 LYS 13 HZ2 LYS 13 43.836 1.863 -4.756 144 HZ3 LYS 13 HZ3 LYS 13 42.179 2.102 -4.470 145 H GLY 14 HN GLY 14 43.766 8.309 -0.525 146 HA2 GLY 14 HA1 GLY 14 40.817 8.542 -0.963 147 HA3 GLY 14 HA2 GLY 14 41.643 8.302 0.587 148 H VAL 15 HN VAL 15 43.588 10.290 0.560 149 HA VAL 15 HA VAL 15 41.818 12.724 0.727 150 HB VAL 15 HB VAL 15 43.687 13.656 2.151 151 HG11 VAL 15 HG11 VAL 15 41.682 12.641 3.151 152 HG12 VAL 15 HG12 VAL 15 43.121 12.240 4.121 153 HG13 VAL 15 HG13 VAL 15 42.417 11.025 3.026 154 HG21 VAL 15 HG21 VAL 15 45.291 11.964 3.090 155 HG22 VAL 15 HG22 VAL 15 45.543 12.271 1.357 156 HG23 VAL 15 HG23 VAL 15 44.707 10.791 1.888 157 H LYS 16 HN LYS 16 44.981 11.596 -0.539 158 HA LYS 16 HA LYS 16 45.855 14.098 -1.551 159 HB2 LYS 16 HB2 LYS 16 47.221 11.993 -1.445 160 HB3 LYS 16 HB1 LYS 16 46.306 11.381 -2.843 161 HG2 LYS 16 HG2 LYS 16 47.066 13.230 -4.229 162 HG3 LYS 16 HG1 LYS 16 47.848 14.010 -2.831 163 HD2 LYS 16 HD2 LYS 16 49.330 12.001 -2.592 164 HD3 LYS 16 HD1 LYS 16 48.601 11.326 -4.069 165 HE2 LYS 16 HE2 LYS 16 50.731 12.497 -4.574 166 HE3 LYS 16 HE1 LYS 16 49.349 13.305 -5.353 167 HZ1 LYS 16 HZ1 LYS 16 49.400 15.028 -3.829 168 HZ2 LYS 16 HZ2 LYS 16 51.053 14.714 -4.062 169 HZ3 LYS 16 HZ3 LYS 16 50.265 14.142 -2.670 170 H ILE 17 HN ILE 17 43.727 11.617 -3.008 171 HA ILE 17 HA ILE 17 43.519 12.989 -5.543 172 HB ILE 17 HB ILE 17 42.945 10.514 -4.978 173 HG12 ILE 17 HG12 ILE 17 40.916 12.102 -6.621 174 HG13 ILE 17 HG11 ILE 17 42.532 11.639 -7.195 175 HG21 ILE 17 HG21 ILE 17 41.341 11.242 -3.106 176 HG22 ILE 17 HG22 ILE 17 40.739 9.994 -4.223 177 HG23 ILE 17 HG23 ILE 17 40.196 11.679 -4.396 178 HD11 ILE 17 HD1 ILE 17 41.094 9.944 -8.033 179 HD12 ILE 17 HD2 ILE 17 40.183 9.840 -6.510 180 HD13 ILE 17 HD3 ILE 17 41.844 9.206 -6.599 181 H ILE 18 HN ILE 18 42.722 14.124 -2.620 182 HA ILE 18 HA ILE 18 41.310 15.800 -1.884 183 HB ILE 18 HB ILE 18 40.527 16.277 -4.792 184 HG12 ILE 18 HG12 ILE 18 43.005 17.191 -3.257 185 HG13 ILE 18 HG11 ILE 18 42.972 16.141 -4.693 186 HG21 ILE 18 HG21 ILE 18 40.908 18.256 -2.508 187 HG22 ILE 18 HG22 ILE 18 39.349 17.463 -2.833 188 HG23 ILE 18 HG23 ILE 18 40.082 18.517 -4.062 189 HD11 ILE 18 HD1 ILE 18 42.329 19.102 -4.500 190 HD12 ILE 18 HD2 ILE 18 41.751 18.120 -5.869 191 HD13 ILE 18 HD3 ILE 18 43.496 18.287 -5.564 192 H GLY 19 HN GLY 19 39.765 14.770 -0.745 193 HA2 GLY 19 HA1 GLY 19 37.120 14.585 -1.950 194 HA3 GLY 19 HA2 GLY 19 37.829 12.992 -1.617 195 H GLY 20 HN GLY 20 38.629 12.605 0.614 196 HA2 GLY 20 HA1 GLY 20 36.550 13.291 2.491 197 HA3 GLY 20 HA2 GLY 20 38.056 12.422 2.851 198 H ALA 21 HN ALA 21 39.711 14.627 1.731 199 HA ALA 21 HA ALA 21 40.202 16.034 4.149 200 HB1 ALA 21 HB1 ALA 21 41.539 17.576 2.707 201 HB2 ALA 21 HB2 ALA 21 40.859 16.765 1.275 202 HB3 ALA 21 HB3 ALA 21 41.885 15.856 2.412 203 H ALA 22 HN ALA 22 38.785 17.349 1.111 204 HA ALA 22 HA ALA 22 37.953 19.816 2.250 205 HB1 ALA 22 HB1 ALA 22 36.471 19.997 0.313 206 HB2 ALA 22 HB2 ALA 22 36.645 18.255 -0.005 207 HB3 ALA 22 HB3 ALA 22 38.048 19.336 -0.179 208 H LEU 23 HN LEU 23 36.388 16.633 2.109 209 HA LEU 23 HA LEU 23 33.885 17.642 3.267 210 HB2 LEU 23 HB2 LEU 23 34.479 15.478 1.733 211 HB3 LEU 23 HB1 LEU 23 34.575 14.703 3.328 212 HG LEU 23 HG LEU 23 32.190 16.326 2.310 213 HD11 LEU 23 HD11 LEU 23 32.677 13.326 2.531 214 HD12 LEU 23 HD12 LEU 23 32.393 14.260 1.043 215 HD13 LEU 23 HD13 LEU 23 31.085 14.063 2.235 216 HD21 LEU 23 HD21 LEU 23 32.386 16.367 4.758 217 HD22 LEU 23 HD22 LEU 23 32.624 14.603 4.794 218 HD23 LEU 23 HD23 LEU 23 31.058 15.281 4.289 219 H ASP 24 HN ASP 24 36.084 18.437 4.807 220 HA ASP 24 HA ASP 24 35.264 17.416 7.400 221 HB2 ASP 24 HB2 ASP 24 36.738 15.550 6.708 222 HB3 ASP 24 HB1 ASP 24 38.066 16.706 6.439 223 H HIS 25 HN HIS 25 37.094 19.437 5.282 224 HA HIS 25 HA HIS 25 38.360 21.364 5.658 225 HB2 HIS 25 HB2 HIS 25 37.129 23.032 7.099 226 HB3 HIS 25 HB1 HIS 25 36.137 22.273 5.832 227 HD1 HIS 25 HD1 HIS 25 34.478 20.332 6.591 228 HD2 HIS 25 HD2 HIS 25 36.234 22.546 9.706 229 HE1 HIS 25 HE1 HIS 25 33.170 19.816 8.724 230 H LEU 26 HN LEU 26 40.294 20.648 6.526 231 HA LEU 26 HA LEU 26 40.590 20.030 9.343 232 HB2 LEU 26 HB2 LEU 26 42.813 20.925 7.480 233 HB3 LEU 26 HB1 LEU 26 42.911 19.827 8.876 234 HG LEU 26 HG LEU 26 41.477 19.283 6.239 235 HD11 LEU 26 HD11 LEU 26 43.191 17.514 6.003 236 HD12 LEU 26 HD12 LEU 26 43.922 18.007 7.549 237 HD13 LEU 26 HD13 LEU 26 43.954 19.115 6.157 238 HD21 LEU 26 HD21 LEU 26 41.615 17.749 8.869 239 HD22 LEU 26 HD22 LEU 26 41.270 16.935 7.322 240 HD23 LEU 26 HD23 LEU 26 40.174 18.199 7.924 Start of MODEL 33 1 H1 GLY 1 HT1 GLY 1 54.750 -0.860 3.403 2 H2 GLY 1 HT2 GLY 1 55.213 -0.953 1.771 3 H3 GLY 1 HT3 GLY 1 53.738 -1.626 2.280 4 HA2 GLY 1 HA1 GLY 1 53.725 0.593 1.085 5 HA3 GLY 1 HA2 GLY 1 52.718 0.363 2.528 6 H ARG 2 HN ARG 2 56.191 1.064 1.926 7 HA ARG 2 HA ARG 2 55.979 3.739 3.027 8 HB2 ARG 2 HB2 ARG 2 57.346 3.338 5.067 9 HB3 ARG 2 HB1 ARG 2 55.759 2.536 5.148 10 HG2 ARG 2 HG2 ARG 2 56.894 0.431 4.272 11 HG3 ARG 2 HG1 ARG 2 58.451 1.262 4.508 12 HD2 ARG 2 HD2 ARG 2 56.363 0.641 6.641 13 HD3 ARG 2 HD1 ARG 2 57.984 -0.077 6.488 14 HE ARG 2 HE ARG 2 58.346 2.723 6.683 15 HH11 ARG 2 HH11 ARG 2 57.810 3.861 8.683 16 HH12 ARG 2 HH12 ARG 2 57.858 2.927 10.140 17 HH21 ARG 2 HH21 ARG 2 58.088 -0.118 8.496 18 HH22 ARG 2 HH22 ARG 2 58.016 0.674 10.035 19 H ARG 3 HN ARG 3 57.128 1.980 0.817 20 HA ARG 3 HA ARG 3 59.931 1.824 0.939 21 HB2 ARG 3 HB2 ARG 3 58.176 2.598 -1.423 22 HB3 ARG 3 HB1 ARG 3 59.870 2.072 -1.540 23 HG2 ARG 3 HG2 ARG 3 57.637 0.415 -0.277 24 HG3 ARG 3 HG1 ARG 3 58.190 0.227 -1.956 25 HD2 ARG 3 HD2 ARG 3 59.512 -1.397 -0.927 26 HD3 ARG 3 HD1 ARG 3 60.597 -0.003 -0.740 27 HE ARG 3 HE ARG 3 60.203 -0.103 1.587 28 HH11 ARG 3 HH11 ARG 3 58.502 -0.195 3.224 29 HH12 ARG 3 HH12 ARG 3 57.436 -1.558 3.154 30 HH21 ARG 3 HH21 ARG 3 58.519 -2.584 0.025 31 HH22 ARG 3 HH22 ARG 3 57.444 -2.907 1.344 32 H LYS 4 HN LYS 4 57.878 4.630 0.816 33 HA LYS 4 HA LYS 4 60.223 6.372 1.134 34 HB2 LYS 4 HB2 LYS 4 59.446 7.855 -0.823 35 HB3 LYS 4 HB1 LYS 4 60.305 6.354 -1.246 36 HG2 LYS 4 HG2 LYS 4 58.195 5.211 -1.693 37 HG3 LYS 4 HG1 LYS 4 57.270 6.625 -1.137 38 HD2 LYS 4 HD2 LYS 4 58.066 7.972 -2.976 39 HD3 LYS 4 HD1 LYS 4 59.248 6.728 -3.451 40 HE2 LYS 4 HE2 LYS 4 57.414 5.171 -4.001 41 HE3 LYS 4 HE1 LYS 4 56.216 6.383 -3.486 42 HZ1 LYS 4 HZ1 LYS 4 57.438 7.871 -5.194 43 HZ2 LYS 4 HZ2 LYS 4 56.330 6.710 -5.752 44 HZ3 LYS 4 HZ3 LYS 4 57.999 6.406 -5.839 45 H ARG 5 HN ARG 5 58.657 6.139 3.111 46 HA ARG 5 HA ARG 5 57.084 7.159 4.480 47 HB2 ARG 5 HB2 ARG 5 57.485 9.585 2.691 48 HB3 ARG 5 HB1 ARG 5 57.005 9.563 4.406 49 HG2 ARG 5 HG2 ARG 5 59.200 8.531 4.987 50 HG3 ARG 5 HG1 ARG 5 59.681 8.630 3.276 51 HD2 ARG 5 HD2 ARG 5 59.435 11.082 3.327 52 HD3 ARG 5 HD1 ARG 5 58.904 11.006 5.024 53 HE ARG 5 HE ARG 5 61.401 9.713 4.941 54 HH11 ARG 5 HH11 ARG 5 60.145 12.616 5.807 55 HH12 ARG 5 HH12 ARG 5 61.551 13.568 5.464 56 HH21 ARG 5 HH21 ARG 5 63.199 11.014 3.796 57 HH22 ARG 5 HH22 ARG 5 63.280 12.661 4.326 58 H LYS 6 HN LYS 6 55.077 8.944 4.200 59 HA LYS 6 HA LYS 6 53.144 7.397 2.642 60 HB2 LYS 6 HB2 LYS 6 51.651 9.469 3.396 61 HB3 LYS 6 HB1 LYS 6 52.165 8.251 4.583 62 HG2 LYS 6 HG2 LYS 6 54.007 10.607 4.100 63 HG3 LYS 6 HG1 LYS 6 52.521 10.896 5.027 64 HD2 LYS 6 HD2 LYS 6 54.277 8.529 5.765 65 HD3 LYS 6 HD1 LYS 6 54.755 10.162 6.282 66 HE2 LYS 6 HE2 LYS 6 51.957 9.073 6.778 67 HE3 LYS 6 HE1 LYS 6 53.295 8.806 7.920 68 HZ1 LYS 6 HZ1 LYS 6 53.375 11.488 7.268 69 HZ2 LYS 6 HZ2 LYS 6 52.851 10.805 8.732 70 HZ3 LYS 6 HZ3 LYS 6 51.731 11.143 7.500 71 H TRP 7 HN TRP 7 53.633 7.517 0.482 72 HA TRP 7 HA TRP 7 52.779 9.976 -0.858 73 HB2 TRP 7 HB2 TRP 7 55.187 10.462 -0.283 74 HB3 TRP 7 HB1 TRP 7 55.651 9.059 -1.275 75 HD1 TRP 7 HD1 TRP 7 55.488 9.282 -3.876 76 HE1 TRP 7 HE1 TRP 7 55.106 11.273 -5.505 77 HE3 TRP 7 HE3 TRP 7 53.887 12.786 -0.504 78 HZ2 TRP 7 HZ2 TRP 7 54.222 14.008 -5.332 79 HZ3 TRP 7 HZ3 TRP 7 53.279 15.079 -1.260 80 HH2 TRP 7 HH2 TRP 7 53.445 15.693 -3.668 81 H LEU 8 HN LEU 8 53.560 6.652 -0.693 82 HA LEU 8 HA LEU 8 53.587 6.079 -3.523 83 HB2 LEU 8 HB2 LEU 8 52.521 3.859 -1.871 84 HB3 LEU 8 HB1 LEU 8 53.998 3.932 -2.854 85 HG LEU 8 HG LEU 8 54.957 5.403 -0.892 86 HD11 LEU 8 HD11 LEU 8 52.905 3.844 0.732 87 HD12 LEU 8 HD12 LEU 8 52.551 5.488 0.161 88 HD13 LEU 8 HD13 LEU 8 53.933 5.203 1.242 89 HD21 LEU 8 HD21 LEU 8 54.386 2.419 -0.586 90 HD22 LEU 8 HD22 LEU 8 55.598 3.320 0.356 91 HD23 LEU 8 HD23 LEU 8 55.783 3.155 -1.407 92 H ARG 9 HN ARG 9 51.228 7.532 -1.843 93 HA ARG 9 HA ARG 9 48.970 7.835 -2.185 94 HB2 ARG 9 HB2 ARG 9 49.457 6.374 -4.814 95 HB3 ARG 9 HB1 ARG 9 48.042 7.366 -4.415 96 HG2 ARG 9 HG2 ARG 9 50.827 8.565 -4.210 97 HG3 ARG 9 HG1 ARG 9 50.040 8.428 -5.795 98 HD2 ARG 9 HD2 ARG 9 48.073 9.682 -4.914 99 HD3 ARG 9 HD1 ARG 9 48.905 9.863 -3.354 100 HE ARG 9 HE ARG 9 50.681 10.863 -5.292 101 HH11 ARG 9 HH11 ARG 9 47.436 11.410 -5.637 102 HH12 ARG 9 HH12 ARG 9 47.489 13.116 -5.347 103 HH21 ARG 9 HH21 ARG 9 50.786 13.101 -4.274 104 HH22 ARG 9 HH22 ARG 9 49.385 14.074 -4.575 105 H ARG 10 HN ARG 10 49.893 5.452 -0.765 106 HA ARG 10 HA ARG 10 48.540 3.098 -1.467 107 HB2 ARG 10 HB2 ARG 10 48.201 2.974 1.224 108 HB3 ARG 10 HB1 ARG 10 49.788 2.748 0.460 109 HG2 ARG 10 HG2 ARG 10 50.346 5.108 0.839 110 HG3 ARG 10 HG1 ARG 10 48.739 5.411 1.524 111 HD2 ARG 10 HD2 ARG 10 50.502 3.242 2.706 112 HD3 ARG 10 HD1 ARG 10 50.775 4.946 3.140 113 HE ARG 10 HE ARG 10 48.143 4.804 3.632 114 HH11 ARG 10 HH11 ARG 10 46.964 2.816 4.481 115 HH12 ARG 10 HH12 ARG 10 47.792 2.008 5.770 116 HH21 ARG 10 HH21 ARG 10 50.806 3.629 5.205 117 HH22 ARG 10 HH22 ARG 10 49.968 2.468 6.180 118 H ILE 11 HN ILE 11 47.093 4.771 1.294 119 HA ILE 11 HA ILE 11 44.414 4.369 0.015 120 HB ILE 11 HB ILE 11 43.566 4.997 2.335 121 HG12 ILE 11 HG12 ILE 11 46.426 4.483 3.258 122 HG13 ILE 11 HG11 ILE 11 45.882 6.132 2.880 123 HG21 ILE 11 HG21 ILE 11 45.465 2.609 2.195 124 HG22 ILE 11 HG22 ILE 11 43.821 2.645 1.514 125 HG23 ILE 11 HG23 ILE 11 44.058 2.782 3.270 126 HD11 ILE 11 HD1 ILE 11 43.961 5.787 4.501 127 HD12 ILE 11 HD2 ILE 11 45.572 5.779 5.254 128 HD13 ILE 11 HD3 ILE 11 44.717 4.246 4.974 129 H GLY 12 HN GLY 12 46.805 6.723 0.345 130 HA2 GLY 12 HA1 GLY 12 45.277 9.053 0.943 131 HA3 GLY 12 HA2 GLY 12 46.776 9.012 -0.014 132 H LYS 13 HN LYS 13 45.764 7.217 -2.046 133 HA LYS 13 HA LYS 13 44.737 9.090 -3.901 134 HB2 LYS 13 HB2 LYS 13 45.714 6.914 -4.541 135 HB3 LYS 13 HB1 LYS 13 44.321 6.073 -3.819 136 HG2 LYS 13 HG2 LYS 13 42.803 6.980 -5.433 137 HG3 LYS 13 HG1 LYS 13 43.998 8.172 -6.000 138 HD2 LYS 13 HD2 LYS 13 43.775 6.257 -7.581 139 HD3 LYS 13 HD1 LYS 13 45.412 6.361 -6.894 140 HE2 LYS 13 HE2 LYS 13 45.045 4.517 -5.438 141 HE3 LYS 13 HE1 LYS 13 43.275 4.607 -5.624 142 HZ1 LYS 13 HZ1 LYS 13 43.394 3.271 -7.370 143 HZ2 LYS 13 HZ2 LYS 13 45.058 3.068 -7.092 144 HZ3 LYS 13 HZ3 LYS 13 44.513 4.280 -8.150 145 H GLY 14 HN GLY 14 43.245 7.605 -1.222 146 HA2 GLY 14 HA1 GLY 14 40.487 7.977 -2.313 147 HA3 GLY 14 HA2 GLY 14 40.936 7.105 -0.836 148 H VAL 15 HN VAL 15 42.594 8.995 0.421 149 HA VAL 15 HA VAL 15 40.541 11.112 1.071 150 HB VAL 15 HB VAL 15 41.758 11.284 3.262 151 HG11 VAL 15 HG11 VAL 15 39.714 9.935 3.053 152 HG12 VAL 15 HG12 VAL 15 40.859 9.133 4.155 153 HG13 VAL 15 HG13 VAL 15 40.667 8.542 2.487 154 HG21 VAL 15 HG21 VAL 15 43.227 8.866 2.120 155 HG22 VAL 15 HG22 VAL 15 43.223 9.295 3.846 156 HG23 VAL 15 HG23 VAL 15 43.942 10.405 2.657 157 H LYS 16 HN LYS 16 44.042 10.535 0.537 158 HA LYS 16 HA LYS 16 44.825 13.254 0.954 159 HB2 LYS 16 HB2 LYS 16 46.369 11.257 0.810 160 HB3 LYS 16 HB1 LYS 16 46.118 11.267 -0.952 161 HG2 LYS 16 HG2 LYS 16 47.121 13.433 -1.190 162 HG3 LYS 16 HG1 LYS 16 47.069 13.736 0.560 163 HD2 LYS 16 HD2 LYS 16 49.352 13.159 -0.043 164 HD3 LYS 16 HD1 LYS 16 48.663 11.810 0.887 165 HE2 LYS 16 HE2 LYS 16 48.337 10.488 -1.085 166 HE3 LYS 16 HE1 LYS 16 48.616 11.883 -2.155 167 HZ1 LYS 16 HZ1 LYS 16 50.769 11.280 -0.304 168 HZ2 LYS 16 HZ2 LYS 16 50.829 11.699 -1.950 169 HZ3 LYS 16 HZ3 LYS 16 50.495 10.098 -1.488 170 H ILE 17 HN ILE 17 43.433 11.559 -1.809 171 HA ILE 17 HA ILE 17 44.039 13.529 -3.799 172 HB ILE 17 HB ILE 17 43.158 11.187 -4.216 173 HG12 ILE 17 HG12 ILE 17 41.372 13.286 -5.529 174 HG13 ILE 17 HG11 ILE 17 43.103 13.153 -5.908 175 HG21 ILE 17 HG21 ILE 17 41.351 11.407 -2.430 176 HG22 ILE 17 HG22 ILE 17 40.816 10.703 -3.971 177 HG23 ILE 17 HG23 ILE 17 40.433 12.398 -3.587 178 HD11 ILE 17 HD1 ILE 17 40.950 11.033 -6.298 179 HD12 ILE 17 HD2 ILE 17 42.691 10.697 -6.452 180 HD13 ILE 17 HD3 ILE 17 41.907 11.853 -7.551 181 H ILE 18 HN ILE 18 42.366 13.900 -0.978 182 HA ILE 18 HA ILE 18 40.977 15.561 -0.178 183 HB ILE 18 HB ILE 18 41.238 16.989 -2.858 184 HG12 ILE 18 HG12 ILE 18 43.148 16.956 -0.475 185 HG13 ILE 18 HG11 ILE 18 43.501 16.384 -2.121 186 HG21 ILE 18 HG21 ILE 18 39.591 17.755 -1.035 187 HG22 ILE 18 HG22 ILE 18 40.770 18.964 -1.590 188 HG23 ILE 18 HG23 ILE 18 41.022 18.122 -0.041 189 HD11 ILE 18 HD1 ILE 18 44.454 18.555 -2.055 190 HD12 ILE 18 HD2 ILE 18 43.075 19.231 -1.159 191 HD13 ILE 18 HD3 ILE 18 42.897 18.804 -2.879 192 H GLY 19 HN GLY 19 39.452 13.670 -0.479 193 HA2 GLY 19 HA1 GLY 19 37.549 13.853 -2.688 194 HA3 GLY 19 HA2 GLY 19 37.442 12.794 -1.268 195 H GLY 20 HN GLY 20 37.942 15.428 0.340 196 HA2 GLY 20 HA1 GLY 20 36.638 17.116 1.270 197 HA3 GLY 20 HA2 GLY 20 35.492 16.946 -0.077 198 H ALA 21 HN ALA 21 35.665 13.891 0.797 199 HA ALA 21 HA ALA 21 33.194 14.021 2.355 200 HB1 ALA 21 HB1 ALA 21 33.451 11.521 2.377 201 HB2 ALA 21 HB2 ALA 21 34.993 11.726 1.510 202 HB3 ALA 21 HB3 ALA 21 33.466 12.242 0.751 203 H ALA 22 HN ALA 22 35.946 15.013 3.391 204 HA ALA 22 HA ALA 22 35.491 14.120 6.139 205 HB1 ALA 22 HB1 ALA 22 37.593 13.034 6.514 206 HB2 ALA 22 HB2 ALA 22 38.161 13.429 4.873 207 HB3 ALA 22 HB3 ALA 22 36.848 12.248 5.103 208 H LEU 23 HN LEU 23 37.884 15.557 3.878 209 HA LEU 23 HA LEU 23 38.794 17.466 5.918 210 HB2 LEU 23 HB2 LEU 23 39.330 17.645 2.935 211 HB3 LEU 23 HB1 LEU 23 40.347 18.200 4.285 212 HG LEU 23 HG LEU 23 39.731 15.310 3.528 213 HD11 LEU 23 HD11 LEU 23 42.332 16.907 3.574 214 HD12 LEU 23 HD12 LEU 23 41.407 16.490 2.111 215 HD13 LEU 23 HD13 LEU 23 42.155 15.204 3.090 216 HD21 LEU 23 HD21 LEU 23 39.845 15.353 5.923 217 HD22 LEU 23 HD22 LEU 23 41.175 16.536 5.916 218 HD23 LEU 23 HD23 LEU 23 41.467 14.862 5.387 219 H ASP 24 HN ASP 24 36.391 18.084 6.223 220 HA ASP 24 HA ASP 24 36.072 20.728 5.095 221 HB2 ASP 24 HB2 ASP 24 35.340 19.410 3.123 222 HB3 ASP 24 HB1 ASP 24 34.114 18.604 4.131 223 H HIS 25 HN HIS 25 34.904 17.954 6.887 224 HA HIS 25 HA HIS 25 32.591 19.144 8.071 225 HB2 HIS 25 HB2 HIS 25 34.496 17.078 9.244 226 HB3 HIS 25 HB1 HIS 25 32.840 17.412 9.803 227 HD1 HIS 25 HD1 HIS 25 34.256 14.779 8.220 228 HD2 HIS 25 HD2 HIS 25 31.362 17.493 6.824 229 HE1 HIS 25 HE1 HIS 25 32.971 13.622 6.339 230 H LEU 26 HN LEU 26 35.558 18.410 9.927 231 HA LEU 26 HA LEU 26 36.508 19.560 11.710 232 HB2 LEU 26 HB2 LEU 26 35.917 21.756 9.700 233 HB3 LEU 26 HB1 LEU 26 36.681 22.136 11.261 234 HG LEU 26 HG LEU 26 38.513 20.569 10.782 235 HD11 LEU 26 HD11 LEU 26 38.606 19.629 8.378 236 HD12 LEU 26 HD12 LEU 26 36.868 19.998 8.286 237 HD13 LEU 26 HD13 LEU 26 37.472 18.844 9.499 238 HD21 LEU 26 HD21 LEU 26 38.716 22.899 9.983 239 HD22 LEU 26 HD22 LEU 26 37.916 22.455 8.456 240 HD23 LEU 26 HD23 LEU 26 39.515 21.782 8.852 Start of MODEL 34 1 H1 GLY 1 HT1 GLY 1 61.859 1.355 3.985 2 H2 GLY 1 HT2 GLY 1 61.035 0.405 2.843 3 H3 GLY 1 HT3 GLY 1 60.396 1.902 3.329 4 HA2 GLY 1 HA1 GLY 1 62.221 3.057 2.359 5 HA3 GLY 1 HA2 GLY 1 62.931 1.502 1.887 6 H ARG 2 HN ARG 2 59.466 1.920 1.824 7 HA ARG 2 HA ARG 2 59.346 1.246 -0.980 8 HB2 ARG 2 HB2 ARG 2 57.197 2.487 0.784 9 HB3 ARG 2 HB1 ARG 2 56.943 1.627 -0.752 10 HG2 ARG 2 HG2 ARG 2 57.949 -0.424 0.253 11 HG3 ARG 2 HG1 ARG 2 58.120 0.441 1.800 12 HD2 ARG 2 HD2 ARG 2 55.684 0.776 1.911 13 HD3 ARG 2 HD1 ARG 2 55.485 -0.020 0.332 14 HE ARG 2 HE ARG 2 55.691 -1.388 2.828 15 HH11 ARG 2 HH11 ARG 2 57.696 -2.935 2.776 16 HH12 ARG 2 HH12 ARG 2 57.683 -3.968 1.387 17 HH21 ARG 2 HH21 ARG 2 55.352 -2.065 -0.336 18 HH22 ARG 2 HH22 ARG 2 56.357 -3.475 -0.375 19 H ARG 3 HN ARG 3 60.704 2.794 -2.011 20 HA ARG 3 HA ARG 3 61.153 4.809 -3.072 21 HB2 ARG 3 HB2 ARG 3 58.110 4.951 -3.096 22 HB3 ARG 3 HB1 ARG 3 59.204 5.889 -4.140 23 HG2 ARG 3 HG2 ARG 3 60.104 3.806 -5.106 24 HG3 ARG 3 HG1 ARG 3 59.056 2.844 -4.037 25 HD2 ARG 3 HD2 ARG 3 58.099 3.104 -6.335 26 HD3 ARG 3 HD1 ARG 3 57.052 3.802 -5.075 27 HE ARG 3 HE ARG 3 57.440 5.930 -6.028 28 HH11 ARG 3 HH11 ARG 3 58.376 7.322 -7.542 29 HH12 ARG 3 HH12 ARG 3 59.719 6.774 -8.489 30 HH21 ARG 3 HH21 ARG 3 59.790 3.621 -7.048 31 HH22 ARG 3 HH22 ARG 3 60.519 4.679 -8.209 32 H LYS 4 HN LYS 4 58.398 6.638 -2.381 33 HA LYS 4 HA LYS 4 59.968 8.431 -0.655 34 HB2 LYS 4 HB2 LYS 4 57.027 8.664 -1.389 35 HB3 LYS 4 HB1 LYS 4 58.149 9.960 -0.910 36 HG2 LYS 4 HG2 LYS 4 59.529 9.378 -2.976 37 HG3 LYS 4 HG1 LYS 4 58.179 8.333 -3.483 38 HD2 LYS 4 HD2 LYS 4 56.655 10.359 -3.237 39 HD3 LYS 4 HD1 LYS 4 58.124 11.344 -3.027 40 HE2 LYS 4 HE2 LYS 4 57.518 9.570 -5.436 41 HE3 LYS 4 HE1 LYS 4 57.359 11.342 -5.395 42 HZ1 LYS 4 HZ1 LYS 4 59.875 10.876 -4.447 43 HZ2 LYS 4 HZ2 LYS 4 59.480 11.371 -6.024 44 HZ3 LYS 4 HZ3 LYS 4 59.712 9.724 -5.681 45 H ARG 5 HN ARG 5 59.485 5.824 0.463 46 HA ARG 5 HA ARG 5 58.734 4.851 2.429 47 HB2 ARG 5 HB2 ARG 5 58.687 7.781 3.241 48 HB3 ARG 5 HB1 ARG 5 58.439 6.435 4.379 49 HG2 ARG 5 HG2 ARG 5 60.648 5.492 3.726 50 HG3 ARG 5 HG1 ARG 5 60.899 6.870 2.627 51 HD2 ARG 5 HD2 ARG 5 60.393 7.147 5.620 52 HD3 ARG 5 HD1 ARG 5 62.012 7.150 4.877 53 HE ARG 5 HE ARG 5 60.293 9.107 3.614 54 HH11 ARG 5 HH11 ARG 5 62.346 10.619 3.666 55 HH12 ARG 5 HH12 ARG 5 62.589 11.309 5.237 56 HH21 ARG 5 HH21 ARG 5 60.515 9.043 6.844 57 HH22 ARG 5 HH22 ARG 5 61.552 10.417 7.036 58 H LYS 6 HN LYS 6 56.837 7.806 2.923 59 HA LYS 6 HA LYS 6 54.326 6.368 2.156 60 HB2 LYS 6 HB2 LYS 6 54.686 7.738 4.851 61 HB3 LYS 6 HB1 LYS 6 53.249 6.866 4.265 62 HG2 LYS 6 HG2 LYS 6 54.656 4.784 4.090 63 HG3 LYS 6 HG1 LYS 6 55.997 5.679 4.844 64 HD2 LYS 6 HD2 LYS 6 54.711 6.041 6.867 65 HD3 LYS 6 HD1 LYS 6 53.244 5.374 6.111 66 HE2 LYS 6 HE2 LYS 6 54.410 3.177 5.854 67 HE3 LYS 6 HE1 LYS 6 55.821 3.854 6.701 68 HZ1 LYS 6 HZ1 LYS 6 53.820 2.591 7.930 69 HZ2 LYS 6 HZ2 LYS 6 53.256 4.190 8.033 70 HZ3 LYS 6 HZ3 LYS 6 54.774 3.778 8.676 71 H TRP 7 HN TRP 7 54.442 7.880 0.382 72 HA TRP 7 HA TRP 7 53.003 10.346 1.016 73 HB2 TRP 7 HB2 TRP 7 55.384 10.995 1.481 74 HB3 TRP 7 HB1 TRP 7 55.779 10.595 -0.208 75 HD1 TRP 7 HD1 TRP 7 54.979 12.233 -2.083 76 HE1 TRP 7 HE1 TRP 7 53.966 14.628 -2.087 77 HE3 TRP 7 HE3 TRP 7 53.776 12.608 2.879 78 HZ2 TRP 7 HZ2 TRP 7 52.799 16.435 -0.174 79 HZ3 TRP 7 HZ3 TRP 7 52.713 14.677 3.767 80 HH2 TRP 7 HH2 TRP 7 52.225 16.589 2.247 81 H LEU 8 HN LEU 8 53.757 7.765 -0.900 82 HA LEU 8 HA LEU 8 53.548 8.858 -3.545 83 HB2 LEU 8 HB2 LEU 8 52.508 6.377 -3.909 84 HB3 LEU 8 HB1 LEU 8 54.246 6.652 -3.682 85 HG LEU 8 HG LEU 8 52.543 6.283 -1.199 86 HD11 LEU 8 HD11 LEU 8 53.407 4.031 -3.064 87 HD12 LEU 8 HD12 LEU 8 51.743 4.454 -2.591 88 HD13 LEU 8 HD13 LEU 8 52.874 3.798 -1.382 89 HD21 LEU 8 HD21 LEU 8 55.263 5.064 -1.825 90 HD22 LEU 8 HD22 LEU 8 54.569 5.499 -0.246 91 HD23 LEU 8 HD23 LEU 8 55.128 6.773 -1.353 92 H ARG 9 HN ARG 9 51.011 6.639 -2.481 93 HA ARG 9 HA ARG 9 48.941 8.666 -2.329 94 HB2 ARG 9 HB2 ARG 9 47.714 7.706 -4.433 95 HB3 ARG 9 HB1 ARG 9 49.000 8.910 -4.671 96 HG2 ARG 9 HG2 ARG 9 49.242 7.017 -6.249 97 HG3 ARG 9 HG1 ARG 9 50.627 7.109 -5.141 98 HD2 ARG 9 HD2 ARG 9 49.909 5.225 -3.896 99 HD3 ARG 9 HD1 ARG 9 48.236 5.343 -4.501 100 HE ARG 9 HE ARG 9 50.441 3.982 -5.829 101 HH11 ARG 9 HH11 ARG 9 47.444 5.656 -6.154 102 HH12 ARG 9 HH12 ARG 9 47.101 5.011 -7.724 103 HH21 ARG 9 HH21 ARG 9 50.043 3.184 -7.908 104 HH22 ARG 9 HH22 ARG 9 48.573 3.611 -8.718 105 H ARG 10 HN ARG 10 50.088 6.172 -1.059 106 HA ARG 10 HA ARG 10 48.447 3.933 -1.265 107 HB2 ARG 10 HB2 ARG 10 48.764 3.943 1.417 108 HB3 ARG 10 HB1 ARG 10 50.127 3.635 0.317 109 HG2 ARG 10 HG2 ARG 10 50.965 5.849 0.526 110 HG3 ARG 10 HG1 ARG 10 49.446 6.460 1.219 111 HD2 ARG 10 HD2 ARG 10 51.218 4.386 2.581 112 HD3 ARG 10 HD1 ARG 10 51.302 6.132 2.912 113 HE ARG 10 HE ARG 10 48.588 5.188 3.188 114 HH11 ARG 10 HH11 ARG 10 47.782 5.182 5.305 115 HH12 ARG 10 HH12 ARG 10 48.883 5.017 6.632 116 HH21 ARG 10 HH21 ARG 10 51.712 4.971 4.626 117 HH22 ARG 10 HH22 ARG 10 51.108 4.900 6.247 118 H ILE 11 HN ILE 11 47.833 5.838 1.643 119 HA ILE 11 HA ILE 11 44.965 5.337 1.387 120 HB ILE 11 HB ILE 11 46.037 5.358 3.619 121 HG12 ILE 11 HG12 ILE 11 44.494 6.848 4.798 122 HG13 ILE 11 HG11 ILE 11 44.212 7.795 3.325 123 HG21 ILE 11 HG21 ILE 11 46.530 8.323 3.125 124 HG22 ILE 11 HG22 ILE 11 47.783 7.068 2.978 125 HG23 ILE 11 HG23 ILE 11 47.010 7.375 4.551 126 HD11 ILE 11 HD1 ILE 11 42.938 6.080 2.314 127 HD12 ILE 11 HD2 ILE 11 42.459 5.954 4.022 128 HD13 ILE 11 HD3 ILE 11 43.644 4.811 3.344 129 H GLY 12 HN GLY 12 47.195 7.766 0.390 130 HA2 GLY 12 HA1 GLY 12 45.541 10.077 0.422 131 HA3 GLY 12 HA2 GLY 12 46.866 9.765 -0.724 132 H LYS 13 HN LYS 13 45.890 7.464 -1.958 133 HA LYS 13 HA LYS 13 44.371 8.428 -4.074 134 HB2 LYS 13 HB2 LYS 13 45.466 6.226 -4.066 135 HB3 LYS 13 HB1 LYS 13 44.294 5.639 -2.862 136 HG2 LYS 13 HG2 LYS 13 42.464 5.844 -4.410 137 HG3 LYS 13 HG1 LYS 13 43.462 6.752 -5.570 138 HD2 LYS 13 HD2 LYS 13 43.160 4.355 -6.233 139 HD3 LYS 13 HD1 LYS 13 44.866 4.783 -5.967 140 HE2 LYS 13 HE2 LYS 13 44.959 3.629 -3.897 141 HE3 LYS 13 HE1 LYS 13 43.187 3.609 -3.720 142 HZ1 LYS 13 HZ1 LYS 13 43.285 1.589 -4.609 143 HZ2 LYS 13 HZ2 LYS 13 44.906 1.769 -5.086 144 HZ3 LYS 13 HZ3 LYS 13 43.654 2.328 -6.090 145 H GLY 14 HN GLY 14 43.372 7.823 -0.838 146 HA2 GLY 14 HA1 GLY 14 40.481 7.691 -1.563 147 HA3 GLY 14 HA2 GLY 14 41.194 7.403 0.035 148 H VAL 15 HN VAL 15 42.834 9.714 0.245 149 HA VAL 15 HA VAL 15 40.672 11.814 0.501 150 HB VAL 15 HB VAL 15 42.217 12.814 2.249 151 HG11 VAL 15 HG11 VAL 15 40.255 11.487 2.883 152 HG12 VAL 15 HG12 VAL 15 41.608 11.111 3.977 153 HG13 VAL 15 HG13 VAL 15 41.174 9.979 2.674 154 HG21 VAL 15 HG21 VAL 15 44.329 11.768 1.632 155 HG22 VAL 15 HG22 VAL 15 43.635 10.142 1.828 156 HG23 VAL 15 HG23 VAL 15 43.875 11.184 3.248 157 H LYS 16 HN LYS 16 44.131 11.313 -0.322 158 HA LYS 16 HA LYS 16 44.786 13.963 -0.980 159 HB2 LYS 16 HB2 LYS 16 46.371 12.049 -0.954 160 HB3 LYS 16 HB1 LYS 16 45.668 11.465 -2.479 161 HG2 LYS 16 HG2 LYS 16 46.299 13.558 -3.607 162 HG3 LYS 16 HG1 LYS 16 46.933 14.217 -2.083 163 HD2 LYS 16 HD2 LYS 16 47.996 11.584 -3.183 164 HD3 LYS 16 HD1 LYS 16 48.607 13.129 -3.812 165 HE2 LYS 16 HE2 LYS 16 49.146 13.808 -1.432 166 HE3 LYS 16 HE1 LYS 16 48.704 12.163 -0.918 167 HZ1 LYS 16 HZ1 LYS 16 50.795 11.633 -1.389 168 HZ2 LYS 16 HZ2 LYS 16 51.087 13.094 -2.204 169 HZ3 LYS 16 HZ3 LYS 16 50.392 11.783 -3.030 170 H ILE 17 HN ILE 17 43.115 11.498 -2.978 171 HA ILE 17 HA ILE 17 43.053 12.670 -5.469 172 HB ILE 17 HB ILE 17 40.541 11.918 -5.563 173 HG12 ILE 17 HG12 ILE 17 41.349 10.764 -2.850 174 HG13 ILE 17 HG11 ILE 17 40.275 12.164 -3.045 175 HG21 ILE 17 HG21 ILE 17 42.663 9.919 -4.676 176 HG22 ILE 17 HG22 ILE 17 42.498 10.554 -6.327 177 HG23 ILE 17 HG23 ILE 17 41.206 9.555 -5.626 178 HD11 ILE 17 HD1 ILE 17 38.883 10.563 -4.617 179 HD12 ILE 17 HD2 ILE 17 38.752 10.372 -2.854 180 HD13 ILE 17 HD3 ILE 17 39.780 9.266 -3.792 181 H ILE 18 HN ILE 18 41.198 13.787 -2.627 182 HA ILE 18 HA ILE 18 41.109 16.479 -3.645 183 HB ILE 18 HB ILE 18 39.377 15.442 -5.156 184 HG12 ILE 18 HG12 ILE 18 38.290 17.429 -3.108 185 HG13 ILE 18 HG11 ILE 18 39.351 17.853 -4.471 186 HG21 ILE 18 HG21 ILE 18 38.597 13.822 -3.283 187 HG22 ILE 18 HG22 ILE 18 37.342 14.560 -4.301 188 HG23 ILE 18 HG23 ILE 18 37.645 15.193 -2.667 189 HD11 ILE 18 HD1 ILE 18 37.587 16.751 -5.993 190 HD12 ILE 18 HD2 ILE 18 37.128 18.295 -5.235 191 HD13 ILE 18 HD3 ILE 18 36.514 16.762 -4.572 192 H GLY 19 HN GLY 19 39.354 14.082 -1.633 193 HA2 GLY 19 HA1 GLY 19 40.032 14.890 0.865 194 HA3 GLY 19 HA2 GLY 19 38.838 16.131 0.435 195 H GLY 20 HN GLY 20 38.837 12.716 -0.558 196 HA2 GLY 20 HA1 GLY 20 37.457 10.968 0.134 197 HA3 GLY 20 HA2 GLY 20 36.817 11.988 1.434 198 H ALA 21 HN ALA 21 34.655 11.704 1.192 199 HA ALA 21 HA ALA 21 33.454 11.850 -1.492 200 HB1 ALA 21 HB1 ALA 21 32.082 11.667 1.198 201 HB2 ALA 21 HB2 ALA 21 32.680 10.261 0.284 202 HB3 ALA 21 HB3 ALA 21 31.391 11.283 -0.396 203 H ALA 22 HN ALA 22 33.719 13.976 -2.264 204 HA ALA 22 HA ALA 22 33.209 16.257 -2.396 205 HB1 ALA 22 HB1 ALA 22 30.860 15.222 -2.167 206 HB2 ALA 22 HB2 ALA 22 31.030 16.945 -1.751 207 HB3 ALA 22 HB3 ALA 22 30.935 15.722 -0.462 208 H LEU 23 HN LEU 23 35.295 15.993 -1.021 209 HA LEU 23 HA LEU 23 36.577 16.779 0.741 210 HB2 LEU 23 HB2 LEU 23 34.243 18.729 0.787 211 HB3 LEU 23 HB1 LEU 23 35.540 18.829 1.998 212 HG LEU 23 HG LEU 23 37.224 19.087 0.240 213 HD11 LEU 23 HD11 LEU 23 36.347 19.398 -2.166 214 HD12 LEU 23 HD12 LEU 23 34.843 18.631 -1.604 215 HD13 LEU 23 HD13 LEU 23 36.379 17.732 -1.544 216 HD21 LEU 23 HD21 LEU 23 34.866 20.915 -0.388 217 HD22 LEU 23 HD22 LEU 23 36.599 21.291 -0.537 218 HD23 LEU 23 HD23 LEU 23 35.869 21.077 1.072 219 H ASP 24 HN ASP 24 34.186 14.823 0.957 220 HA ASP 24 HA ASP 24 33.104 13.616 2.621 221 HB2 ASP 24 HB2 ASP 24 35.336 12.874 3.032 222 HB3 ASP 24 HB1 ASP 24 35.703 14.322 4.015 223 H HIS 25 HN HIS 25 32.248 16.145 2.291 224 HA HIS 25 HA HIS 25 32.012 17.550 4.841 225 HB2 HIS 25 HB2 HIS 25 32.035 18.785 2.739 226 HB3 HIS 25 HB1 HIS 25 30.648 17.853 2.130 227 HD1 HIS 25 HD1 HIS 25 31.498 20.122 5.131 228 HD2 HIS 25 HD2 HIS 25 28.210 19.009 2.760 229 HE1 HIS 25 HE1 HIS 25 29.518 21.571 5.847 230 H LEU 26 HN LEU 26 30.803 16.747 6.441 231 HA LEU 26 HA LEU 26 28.731 14.798 6.060 232 HB2 LEU 26 HB2 LEU 26 29.516 16.641 8.341 233 HB3 LEU 26 HB1 LEU 26 28.084 15.593 8.466 234 HG LEU 26 HG LEU 26 29.442 13.600 8.099 235 HD11 LEU 26 HD11 LEU 26 31.101 14.324 6.533 236 HD12 LEU 26 HD12 LEU 26 32.000 13.925 8.013 237 HD13 LEU 26 HD13 LEU 26 31.662 15.626 7.608 238 HD21 LEU 26 HD21 LEU 26 30.899 13.732 10.116 239 HD22 LEU 26 HD22 LEU 26 29.306 14.472 10.404 240 HD23 LEU 26 HD23 LEU 26 30.728 15.504 10.110 Start of MODEL 35 1 H1 GLY 1 HT1 GLY 1 56.729 3.572 -6.835 2 H2 GLY 1 HT2 GLY 1 55.178 2.943 -7.132 3 H3 GLY 1 HT3 GLY 1 56.540 1.929 -7.204 4 HA2 GLY 1 HA1 GLY 1 54.945 2.687 -5.001 5 HA3 GLY 1 HA2 GLY 1 56.134 1.379 -5.152 6 H ARG 2 HN ARG 2 58.501 2.295 -5.358 7 HA ARG 2 HA ARG 2 59.010 3.624 -2.833 8 HB2 ARG 2 HB2 ARG 2 60.959 3.222 -5.130 9 HB3 ARG 2 HB1 ARG 2 61.335 3.405 -3.399 10 HG2 ARG 2 HG2 ARG 2 59.970 1.298 -2.983 11 HG3 ARG 2 HG1 ARG 2 59.904 1.079 -4.749 12 HD2 ARG 2 HD2 ARG 2 62.407 1.197 -3.012 13 HD3 ARG 2 HD1 ARG 2 61.773 -0.222 -3.878 14 HE ARG 2 HE ARG 2 62.210 1.869 -5.774 15 HH11 ARG 2 HH11 ARG 2 63.371 -0.166 -6.984 16 HH12 ARG 2 HH12 ARG 2 65.030 -0.262 -6.492 17 HH21 ARG 2 HH21 ARG 2 64.586 1.726 -3.686 18 HH22 ARG 2 HH22 ARG 2 65.718 0.811 -4.625 19 H ARG 3 HN ARG 3 57.788 4.875 -5.604 20 HA ARG 3 HA ARG 3 59.325 7.111 -6.294 21 HB2 ARG 3 HB2 ARG 3 56.308 6.825 -6.031 22 HB3 ARG 3 HB1 ARG 3 57.107 8.225 -6.788 23 HG2 ARG 3 HG2 ARG 3 58.230 6.707 -8.400 24 HG3 ARG 3 HG1 ARG 3 57.410 5.315 -7.654 25 HD2 ARG 3 HD2 ARG 3 56.250 6.160 -9.722 26 HD3 ARG 3 HD1 ARG 3 55.224 6.208 -8.268 27 HE ARG 3 HE ARG 3 56.596 8.723 -8.599 28 HH11 ARG 3 HH11 ARG 3 53.814 8.800 -7.842 29 HH12 ARG 3 HH12 ARG 3 52.986 9.233 -9.300 30 HH21 ARG 3 HH21 ARG 3 55.643 8.406 -11.368 31 HH22 ARG 3 HH22 ARG 3 54.021 9.009 -11.297 32 H LYS 4 HN LYS 4 57.470 6.498 -3.380 33 HA LYS 4 HA LYS 4 58.609 8.967 -2.166 34 HB2 LYS 4 HB2 LYS 4 55.622 8.362 -2.134 35 HB3 LYS 4 HB1 LYS 4 56.440 9.707 -1.302 36 HG2 LYS 4 HG2 LYS 4 57.293 10.449 -3.597 37 HG3 LYS 4 HG1 LYS 4 56.173 9.258 -4.302 38 HD2 LYS 4 HD2 LYS 4 54.300 10.369 -3.016 39 HD3 LYS 4 HD1 LYS 4 55.455 11.640 -2.543 40 HE2 LYS 4 HE2 LYS 4 55.903 12.095 -4.959 41 HE3 LYS 4 HE1 LYS 4 54.674 10.881 -5.393 42 HZ1 LYS 4 HZ1 LYS 4 53.327 12.406 -3.654 43 HZ2 LYS 4 HZ2 LYS 4 53.312 12.647 -5.335 44 HZ3 LYS 4 HZ3 LYS 4 54.342 13.571 -4.351 45 H ARG 5 HN ARG 5 58.567 8.944 0.142 46 HA ARG 5 HA ARG 5 59.072 6.370 1.264 47 HB2 ARG 5 HB2 ARG 5 58.340 8.991 2.629 48 HB3 ARG 5 HB1 ARG 5 59.007 7.560 3.450 49 HG2 ARG 5 HG2 ARG 5 61.027 7.670 2.032 50 HG3 ARG 5 HG1 ARG 5 60.361 9.084 1.181 51 HD2 ARG 5 HD2 ARG 5 61.931 9.833 2.913 52 HD3 ARG 5 HD1 ARG 5 60.276 10.315 3.358 53 HE ARG 5 HE ARG 5 60.469 8.908 5.239 54 HH11 ARG 5 HH11 ARG 5 60.710 6.411 5.322 55 HH12 ARG 5 HH12 ARG 5 62.356 5.897 5.166 56 HH21 ARG 5 HH21 ARG 5 63.470 8.945 3.942 57 HH22 ARG 5 HH22 ARG 5 63.919 7.331 4.385 58 H LYS 6 HN LYS 6 56.519 8.559 2.469 59 HA LYS 6 HA LYS 6 54.570 6.268 2.422 60 HB2 LYS 6 HB2 LYS 6 55.229 8.066 4.789 61 HB3 LYS 6 HB1 LYS 6 53.827 6.973 4.711 62 HG2 LYS 6 HG2 LYS 6 55.298 5.033 4.438 63 HG3 LYS 6 HG1 LYS 6 56.730 6.083 4.393 64 HD2 LYS 6 HD2 LYS 6 54.837 6.133 6.779 65 HD3 LYS 6 HD1 LYS 6 56.108 4.898 6.655 66 HE2 LYS 6 HE2 LYS 6 57.784 6.802 6.336 67 HE3 LYS 6 HE1 LYS 6 56.470 7.923 6.764 68 HZ1 LYS 6 HZ1 LYS 6 58.115 6.549 8.496 69 HZ2 LYS 6 HZ2 LYS 6 56.613 5.764 8.606 70 HZ3 LYS 6 HZ3 LYS 6 56.724 7.434 8.895 71 H TRP 7 HN TRP 7 54.293 7.881 0.443 72 HA TRP 7 HA TRP 7 51.879 9.431 1.094 73 HB2 TRP 7 HB2 TRP 7 54.371 10.826 0.031 74 HB3 TRP 7 HB1 TRP 7 52.743 11.541 0.083 75 HD1 TRP 7 HD1 TRP 7 55.768 10.859 2.193 76 HE1 TRP 7 HE1 TRP 7 55.403 11.705 4.623 77 HE3 TRP 7 HE3 TRP 7 50.747 11.832 1.963 78 HZ2 TRP 7 HZ2 TRP 7 53.211 12.669 6.222 79 HZ3 TRP 7 HZ3 TRP 7 49.539 12.715 3.953 80 HH2 TRP 7 HH2 TRP 7 50.765 13.134 6.081 81 H LEU 8 HN LEU 8 53.550 7.363 -0.781 82 HA LEU 8 HA LEU 8 53.238 8.201 -3.444 83 HB2 LEU 8 HB2 LEU 8 52.832 5.649 -3.874 84 HB3 LEU 8 HB1 LEU 8 54.385 6.169 -3.189 85 HG LEU 8 HG LEU 8 52.278 5.617 -1.125 86 HD11 LEU 8 HD11 LEU 8 52.611 3.123 -1.305 87 HD12 LEU 8 HD12 LEU 8 53.354 3.385 -2.900 88 HD13 LEU 8 HD13 LEU 8 51.649 3.821 -2.629 89 HD21 LEU 8 HD21 LEU 8 55.070 4.431 -1.416 90 HD22 LEU 8 HD22 LEU 8 54.115 4.646 0.070 91 HD23 LEU 8 HD23 LEU 8 54.789 6.062 -0.766 92 H ARG 9 HN ARG 9 51.058 5.597 -2.458 93 HA ARG 9 HA ARG 9 48.663 7.278 -3.001 94 HB2 ARG 9 HB2 ARG 9 49.524 4.889 -4.680 95 HB3 ARG 9 HB1 ARG 9 47.837 5.441 -4.610 96 HG2 ARG 9 HG2 ARG 9 50.207 7.182 -5.446 97 HG3 ARG 9 HG1 ARG 9 49.098 6.372 -6.567 98 HD2 ARG 9 HD2 ARG 9 47.245 7.671 -5.078 99 HD3 ARG 9 HD1 ARG 9 48.618 8.776 -4.823 100 HE ARG 9 HE ARG 9 47.079 8.704 -7.179 101 HH11 ARG 9 HH11 ARG 9 49.462 10.535 -6.464 102 HH12 ARG 9 HH12 ARG 9 50.494 10.251 -7.824 103 HH21 ARG 9 HH21 ARG 9 48.803 7.403 -8.849 104 HH22 ARG 9 HH22 ARG 9 50.121 8.477 -9.176 105 H ARG 10 HN ARG 10 50.094 5.495 -0.850 106 HA ARG 10 HA ARG 10 48.580 3.183 -0.352 107 HB2 ARG 10 HB2 ARG 10 48.910 3.968 2.185 108 HB3 ARG 10 HB1 ARG 10 50.300 3.463 1.196 109 HG2 ARG 10 HG2 ARG 10 51.086 5.652 0.904 110 HG3 ARG 10 HG1 ARG 10 49.487 6.387 1.137 111 HD2 ARG 10 HD2 ARG 10 49.588 5.755 3.561 112 HD3 ARG 10 HD1 ARG 10 51.228 5.112 3.298 113 HE ARG 10 HE ARG 10 51.402 7.706 2.352 114 HH11 ARG 10 HH11 ARG 10 50.517 9.574 3.656 115 HH12 ARG 10 HH12 ARG 10 50.813 9.457 5.359 116 HH21 ARG 10 HH21 ARG 10 51.685 6.102 5.246 117 HH22 ARG 10 HH22 ARG 10 51.474 7.491 6.259 118 H ILE 11 HN ILE 11 47.918 5.948 1.762 119 HA ILE 11 HA ILE 11 44.997 5.356 1.535 120 HB ILE 11 HB ILE 11 46.073 5.499 3.803 121 HG12 ILE 11 HG12 ILE 11 44.119 7.791 3.285 122 HG13 ILE 11 HG11 ILE 11 43.639 6.081 3.354 123 HG21 ILE 11 HG21 ILE 11 46.953 7.569 4.640 124 HG22 ILE 11 HG22 ILE 11 46.371 8.474 3.222 125 HG23 ILE 11 HG23 ILE 11 47.713 7.321 3.053 126 HD11 ILE 11 HD1 ILE 11 43.245 6.939 5.543 127 HD12 ILE 11 HD2 ILE 11 44.796 7.808 5.570 128 HD13 ILE 11 HD3 ILE 11 44.767 6.030 5.677 129 H GLY 12 HN GLY 12 47.413 7.506 0.385 130 HA2 GLY 12 HA1 GLY 12 46.014 9.962 0.254 131 HA3 GLY 12 HA2 GLY 12 47.245 9.419 -0.911 132 H LYS 13 HN LYS 13 45.851 7.099 -1.846 133 HA LYS 13 HA LYS 13 44.367 8.175 -3.984 134 HB2 LYS 13 HB2 LYS 13 45.189 5.858 -3.942 135 HB3 LYS 13 HB1 LYS 13 44.065 5.470 -2.617 136 HG2 LYS 13 HG2 LYS 13 42.142 5.823 -4.028 137 HG3 LYS 13 HG1 LYS 13 43.144 6.534 -5.316 138 HD2 LYS 13 HD2 LYS 13 42.557 4.198 -5.867 139 HD3 LYS 13 HD1 LYS 13 44.310 4.355 -5.601 140 HE2 LYS 13 HE2 LYS 13 44.209 3.290 -3.485 141 HE3 LYS 13 HE1 LYS 13 42.457 3.569 -3.321 142 HZ1 LYS 13 HZ1 LYS 13 42.057 1.657 -4.339 143 HZ2 LYS 13 HZ2 LYS 13 43.723 1.321 -4.336 144 HZ3 LYS 13 HZ3 LYS 13 43.009 2.086 -5.675 145 H GLY 14 HN GLY 14 43.549 7.809 -0.671 146 HA2 GLY 14 HA1 GLY 14 40.619 7.990 -1.165 147 HA3 GLY 14 HA2 GLY 14 41.427 7.710 0.389 148 H VAL 15 HN VAL 15 43.287 9.827 0.422 149 HA VAL 15 HA VAL 15 41.372 12.151 0.675 150 HB VAL 15 HB VAL 15 43.091 13.077 2.265 151 HG11 VAL 15 HG11 VAL 15 41.988 10.314 2.948 152 HG12 VAL 15 HG12 VAL 15 41.071 11.838 3.027 153 HG13 VAL 15 HG13 VAL 15 42.456 11.574 4.114 154 HG21 VAL 15 HG21 VAL 15 44.711 11.372 3.211 155 HG22 VAL 15 HG22 VAL 15 45.082 11.875 1.547 156 HG23 VAL 15 HG23 VAL 15 44.300 10.306 1.850 157 H LYS 16 HN LYS 16 44.678 11.242 -0.396 158 HA LYS 16 HA LYS 16 45.458 13.837 -1.255 159 HB2 LYS 16 HB2 LYS 16 46.909 11.752 -1.092 160 HB3 LYS 16 HB1 LYS 16 46.206 11.240 -2.644 161 HG2 LYS 16 HG2 LYS 16 46.974 13.371 -3.684 162 HG3 LYS 16 HG1 LYS 16 47.683 13.861 -2.131 163 HD2 LYS 16 HD2 LYS 16 49.598 12.923 -3.045 164 HD3 LYS 16 HD1 LYS 16 48.901 11.425 -2.393 165 HE2 LYS 16 HE2 LYS 16 48.726 12.470 -5.252 166 HE3 LYS 16 HE1 LYS 16 49.534 10.991 -4.684 167 HZ1 LYS 16 HZ1 LYS 16 47.373 10.127 -4.012 168 HZ2 LYS 16 HZ2 LYS 16 47.382 10.504 -5.669 169 HZ3 LYS 16 HZ3 LYS 16 46.608 11.536 -4.563 170 H ILE 17 HN ILE 17 43.442 11.357 -2.793 171 HA ILE 17 HA ILE 17 43.404 12.555 -5.404 172 HB ILE 17 HB ILE 17 42.612 10.197 -4.714 173 HG12 ILE 17 HG12 ILE 17 40.684 11.827 -6.439 174 HG13 ILE 17 HG11 ILE 17 42.268 11.241 -6.990 175 HG21 ILE 17 HG21 ILE 17 40.390 9.891 -3.906 176 HG22 ILE 17 HG22 ILE 17 39.959 11.594 -4.197 177 HG23 ILE 17 HG23 ILE 17 41.082 11.170 -2.883 178 HD11 ILE 17 HD1 ILE 17 40.706 9.604 -7.736 179 HD12 ILE 17 HD2 ILE 17 39.834 9.611 -6.186 180 HD13 ILE 17 HD3 ILE 17 41.458 8.889 -6.292 181 H ILE 18 HN ILE 18 42.515 13.882 -2.543 182 HA ILE 18 HA ILE 18 41.253 15.729 -1.978 183 HB ILE 18 HB ILE 18 40.702 16.166 -4.944 184 HG12 ILE 18 HG12 ILE 18 43.161 16.909 -3.289 185 HG13 ILE 18 HG11 ILE 18 43.119 15.785 -4.667 186 HG21 ILE 18 HG21 ILE 18 39.541 17.539 -3.100 187 HG22 ILE 18 HG22 ILE 18 40.443 18.463 -4.321 188 HG23 ILE 18 HG23 ILE 18 41.152 18.188 -2.711 189 HD11 ILE 18 HD1 ILE 18 43.900 17.817 -5.611 190 HD12 ILE 18 HD2 ILE 18 42.753 18.800 -4.672 191 HD13 ILE 18 HD3 ILE 18 42.170 17.798 -6.024 192 H GLY 19 HN GLY 19 39.604 14.734 -0.913 193 HA2 GLY 19 HA1 GLY 19 36.995 14.850 -2.230 194 HA3 GLY 19 HA2 GLY 19 37.530 13.193 -1.879 195 H GLY 20 HN GLY 20 38.905 15.307 0.331 196 HA2 GLY 20 HA1 GLY 20 36.765 15.804 2.139 197 HA3 GLY 20 HA2 GLY 20 37.470 14.225 2.541 198 H ALA 21 HN ALA 21 38.472 14.669 4.434 199 HA ALA 21 HA ALA 21 40.008 15.627 5.889 200 HB1 ALA 21 HB1 ALA 21 42.223 16.195 4.845 201 HB2 ALA 21 HB2 ALA 21 41.481 15.921 3.251 202 HB3 ALA 21 HB3 ALA 21 41.606 14.582 4.419 203 H ALA 22 HN ALA 22 41.145 17.726 3.303 204 HA ALA 22 HA ALA 22 40.744 20.081 4.938 205 HB1 ALA 22 HB1 ALA 22 42.553 19.880 3.272 206 HB2 ALA 22 HB2 ALA 22 41.531 21.303 2.961 207 HB3 ALA 22 HB3 ALA 22 41.344 19.836 1.969 208 H LEU 23 HN LEU 23 39.058 18.662 2.133 209 HA LEU 23 HA LEU 23 37.132 20.866 1.990 210 HB2 LEU 23 HB2 LEU 23 37.895 19.399 0.041 211 HB3 LEU 23 HB1 LEU 23 36.918 18.098 0.754 212 HG LEU 23 HG LEU 23 34.972 19.904 0.743 213 HD11 LEU 23 HD11 LEU 23 35.186 21.428 -1.263 214 HD12 LEU 23 HD12 LEU 23 36.912 21.009 -1.342 215 HD13 LEU 23 HD13 LEU 23 36.265 21.862 0.079 216 HD21 LEU 23 HD21 LEU 23 34.957 17.846 -0.610 217 HD22 LEU 23 HD22 LEU 23 36.018 18.612 -1.816 218 HD23 LEU 23 HD23 LEU 23 34.363 19.219 -1.575 219 H ASP 24 HN ASP 24 36.784 20.538 4.448 220 HA ASP 24 HA ASP 24 34.158 19.332 4.741 221 HB2 ASP 24 HB2 ASP 24 35.674 17.311 4.878 222 HB3 ASP 24 HB1 ASP 24 36.403 18.037 6.332 223 H HIS 25 HN HIS 25 36.651 21.393 5.561 224 HA HIS 25 HA HIS 25 36.037 21.830 8.365 225 HB2 HIS 25 HB2 HIS 25 37.403 23.856 8.116 226 HB3 HIS 25 HB1 HIS 25 38.201 22.468 7.340 227 HD1 HIS 25 HD1 HIS 25 36.931 22.268 4.636 228 HD2 HIS 25 HD2 HIS 25 37.738 25.994 6.410 229 HE1 HIS 25 HE1 HIS 25 37.094 23.988 2.754 230 H LEU 26 HN LEU 26 33.994 22.090 5.911 231 HA LEU 26 HA LEU 26 32.994 24.814 6.248 232 HB2 LEU 26 HB2 LEU 26 31.955 22.293 4.908 233 HB3 LEU 26 HB1 LEU 26 30.940 23.747 5.041 234 HG LEU 26 HG LEU 26 32.594 25.077 3.833 235 HD11 LEU 26 HD11 LEU 26 34.691 24.182 4.544 236 HD12 LEU 26 HD12 LEU 26 34.595 23.790 2.813 237 HD13 LEU 26 HD13 LEU 26 34.259 22.534 4.030 238 HD21 LEU 26 HD21 LEU 26 30.942 23.680 2.551 239 HD22 LEU 26 HD22 LEU 26 32.177 22.406 2.418 240 HD23 LEU 26 HD23 LEU 26 32.444 23.989 1.648 Start of MODEL 36 1 H1 GLY 1 HT1 GLY 1 57.369 -0.585 -0.702 2 H2 GLY 1 HT2 GLY 1 56.158 -1.763 -0.886 3 H3 GLY 1 HT3 GLY 1 57.759 -2.228 -0.556 4 HA2 GLY 1 HA1 GLY 1 55.917 -2.112 1.275 5 HA3 GLY 1 HA2 GLY 1 57.632 -1.789 1.596 6 H ARG 2 HN ARG 2 58.353 0.508 1.322 7 HA ARG 2 HA ARG 2 56.340 2.600 1.453 8 HB2 ARG 2 HB2 ARG 2 56.924 3.281 3.831 9 HB3 ARG 2 HB1 ARG 2 55.928 1.813 3.685 10 HG2 ARG 2 HG2 ARG 2 57.845 0.382 4.034 11 HG3 ARG 2 HG1 ARG 2 58.965 1.760 3.918 12 HD2 ARG 2 HD2 ARG 2 58.143 2.708 5.979 13 HD3 ARG 2 HD1 ARG 2 56.790 1.554 6.040 14 HE ARG 2 HE ARG 2 59.124 -0.012 6.014 15 HH11 ARG 2 HH11 ARG 2 57.507 -0.543 8.256 16 HH12 ARG 2 HH12 ARG 2 58.293 0.228 9.594 17 HH21 ARG 2 HH21 ARG 2 60.241 2.292 7.602 18 HH22 ARG 2 HH22 ARG 2 59.841 1.831 9.223 19 H ARG 3 HN ARG 3 58.403 2.385 -0.250 20 HA ARG 3 HA ARG 3 60.898 3.463 0.612 21 HB2 ARG 3 HB2 ARG 3 60.495 2.394 -1.601 22 HB3 ARG 3 HB1 ARG 3 59.532 3.809 -2.088 23 HG2 ARG 3 HG2 ARG 3 61.442 5.273 -1.913 24 HG3 ARG 3 HG1 ARG 3 62.418 4.004 -1.134 25 HD2 ARG 3 HD2 ARG 3 62.251 2.630 -3.209 26 HD3 ARG 3 HD1 ARG 3 61.336 3.943 -3.986 27 HE ARG 3 HE ARG 3 63.748 5.076 -3.029 28 HH11 ARG 3 HH11 ARG 3 62.490 2.923 -5.401 29 HH12 ARG 3 HH12 ARG 3 63.891 3.005 -6.415 30 HH21 ARG 3 HH21 ARG 3 65.651 5.086 -4.272 31 HH22 ARG 3 HH22 ARG 3 65.679 4.229 -5.777 32 H LYS 4 HN LYS 4 58.123 5.118 -0.971 33 HA LYS 4 HA LYS 4 59.271 7.756 -0.320 34 HB2 LYS 4 HB2 LYS 4 56.567 7.014 -1.503 35 HB3 LYS 4 HB1 LYS 4 57.305 8.633 -1.480 36 HG2 LYS 4 HG2 LYS 4 59.265 7.668 -2.764 37 HG3 LYS 4 HG1 LYS 4 58.337 6.158 -2.930 38 HD2 LYS 4 HD2 LYS 4 56.496 7.438 -4.027 39 HD3 LYS 4 HD1 LYS 4 57.485 8.915 -3.920 40 HE2 LYS 4 HE2 LYS 4 58.412 6.370 -5.314 41 HE3 LYS 4 HE1 LYS 4 57.615 7.719 -6.158 42 HZ1 LYS 4 HZ1 LYS 4 59.363 9.190 -5.423 43 HZ2 LYS 4 HZ2 LYS 4 60.049 7.864 -6.233 44 HZ3 LYS 4 HZ3 LYS 4 60.103 7.948 -4.538 45 H ARG 5 HN ARG 5 58.751 6.083 1.960 46 HA ARG 5 HA ARG 5 57.695 6.167 4.025 47 HB2 ARG 5 HB2 ARG 5 57.386 9.063 3.145 48 HB3 ARG 5 HB1 ARG 5 57.040 8.478 4.790 49 HG2 ARG 5 HG2 ARG 5 59.350 7.678 5.026 50 HG3 ARG 5 HG1 ARG 5 59.712 8.163 3.352 51 HD2 ARG 5 HD2 ARG 5 59.036 10.537 4.022 52 HD3 ARG 5 HD1 ARG 5 59.025 9.966 5.708 53 HE ARG 5 HE ARG 5 61.362 10.721 4.312 54 HH11 ARG 5 HH11 ARG 5 61.852 10.339 7.047 55 HH12 ARG 5 HH12 ARG 5 62.636 8.800 7.178 56 HH21 ARG 5 HH21 ARG 5 61.628 7.724 4.040 57 HH22 ARG 5 HH22 ARG 5 62.509 7.319 5.475 58 H LYS 6 HN LYS 6 55.600 8.755 2.912 59 HA LYS 6 HA LYS 6 53.339 6.870 2.431 60 HB2 LYS 6 HB2 LYS 6 53.295 9.029 4.583 61 HB3 LYS 6 HB1 LYS 6 51.896 8.068 4.048 62 HG2 LYS 6 HG2 LYS 6 53.238 5.983 4.654 63 HG3 LYS 6 HG1 LYS 6 54.422 7.067 5.423 64 HD2 LYS 6 HD2 LYS 6 52.514 8.036 6.789 65 HD3 LYS 6 HD1 LYS 6 51.481 6.738 6.143 66 HE2 LYS 6 HE2 LYS 6 53.113 5.052 7.031 67 HE3 LYS 6 HE1 LYS 6 54.038 6.383 7.766 68 HZ1 LYS 6 HZ1 LYS 6 51.571 5.164 8.621 69 HZ2 LYS 6 HZ2 LYS 6 51.495 6.861 8.583 70 HZ3 LYS 6 HZ3 LYS 6 52.692 6.082 9.505 71 H TRP 7 HN TRP 7 54.669 8.348 0.555 72 HA TRP 7 HA TRP 7 52.715 10.574 -0.047 73 HB2 TRP 7 HB2 TRP 7 55.061 11.361 0.441 74 HB3 TRP 7 HB1 TRP 7 55.623 10.380 -0.934 75 HD1 TRP 7 HD1 TRP 7 53.493 13.452 -0.096 76 HE1 TRP 7 HE1 TRP 7 53.148 14.884 -2.238 77 HE3 TRP 7 HE3 TRP 7 55.583 10.282 -3.529 78 HZ2 TRP 7 HZ2 TRP 7 53.717 14.655 -5.052 79 HZ3 TRP 7 HZ3 TRP 7 55.672 10.910 -5.938 80 HH2 TRP 7 HH2 TRP 7 54.741 13.090 -6.701 81 H LEU 8 HN LEU 8 53.731 7.500 -0.754 82 HA LEU 8 HA LEU 8 53.592 7.646 -3.677 83 HB2 LEU 8 HB2 LEU 8 53.346 5.004 -3.252 84 HB3 LEU 8 HB1 LEU 8 54.907 5.830 -3.067 85 HG LEU 8 HG LEU 8 54.578 6.002 -0.643 86 HD11 LEU 8 HD11 LEU 8 52.604 4.791 0.382 87 HD12 LEU 8 HD12 LEU 8 51.900 4.673 -1.249 88 HD13 LEU 8 HD13 LEU 8 52.159 6.266 -0.504 89 HD21 LEU 8 HD21 LEU 8 55.599 3.947 -1.526 90 HD22 LEU 8 HD22 LEU 8 53.988 3.219 -1.738 91 HD23 LEU 8 HD23 LEU 8 54.598 3.572 -0.104 92 H ARG 9 HN ARG 9 51.314 8.464 -1.693 93 HA ARG 9 HA ARG 9 49.016 8.506 -1.803 94 HB2 ARG 9 HB2 ARG 9 49.219 7.088 -4.480 95 HB3 ARG 9 HB1 ARG 9 47.939 8.178 -3.904 96 HG2 ARG 9 HG2 ARG 9 50.831 8.938 -4.514 97 HG3 ARG 9 HG1 ARG 9 49.393 9.392 -5.454 98 HD2 ARG 9 HD2 ARG 9 48.530 10.459 -3.233 99 HD3 ARG 9 HD1 ARG 9 50.222 10.332 -2.690 100 HE ARG 9 HE ARG 9 50.151 11.567 -5.278 101 HH11 ARG 9 HH11 ARG 9 47.920 13.069 -4.031 102 HH12 ARG 9 HH12 ARG 9 48.739 14.350 -3.203 103 HH21 ARG 9 HH21 ARG 9 51.838 12.799 -3.318 104 HH22 ARG 9 HH22 ARG 9 50.958 14.197 -2.798 105 H ARG 10 HN ARG 10 50.154 6.396 -0.347 106 HA ARG 10 HA ARG 10 49.198 3.808 -0.993 107 HB2 ARG 10 HB2 ARG 10 48.927 3.709 1.680 108 HB3 ARG 10 HB1 ARG 10 50.534 3.791 0.924 109 HG2 ARG 10 HG2 ARG 10 50.816 6.078 1.432 110 HG3 ARG 10 HG1 ARG 10 49.073 6.359 1.635 111 HD2 ARG 10 HD2 ARG 10 50.289 6.331 3.816 112 HD3 ARG 10 HD1 ARG 10 49.074 5.035 3.707 113 HE ARG 10 HE ARG 10 51.683 4.118 2.827 114 HH11 ARG 10 HH11 ARG 10 49.923 5.099 5.618 115 HH12 ARG 10 HH12 ARG 10 50.648 3.918 6.658 116 HH21 ARG 10 HH21 ARG 10 52.548 2.480 4.139 117 HH22 ARG 10 HH22 ARG 10 52.135 2.436 5.820 118 H ILE 11 HN ILE 11 47.617 5.337 1.752 119 HA ILE 11 HA ILE 11 44.978 4.496 0.669 120 HB ILE 11 HB ILE 11 44.136 5.150 2.928 121 HG12 ILE 11 HG12 ILE 11 46.375 5.405 4.568 122 HG13 ILE 11 HG11 ILE 11 46.918 6.299 3.134 123 HG21 ILE 11 HG21 ILE 11 46.588 3.334 2.931 124 HG22 ILE 11 HG22 ILE 11 44.939 2.862 2.456 125 HG23 ILE 11 HG23 ILE 11 45.283 3.322 4.141 126 HD11 ILE 11 HD1 ILE 11 44.901 7.726 3.247 127 HD12 ILE 11 HD2 ILE 11 45.789 7.773 4.786 128 HD13 ILE 11 HD3 ILE 11 44.310 6.795 4.641 129 H GLY 12 HN GLY 12 46.990 7.175 0.465 130 HA2 GLY 12 HA1 GLY 12 45.106 9.306 0.896 131 HA3 GLY 12 HA2 GLY 12 46.591 9.393 -0.079 132 H LYS 13 HN LYS 13 45.944 7.305 -1.912 133 HA LYS 13 HA LYS 13 44.596 8.735 -3.927 134 HB2 LYS 13 HB2 LYS 13 45.928 6.778 -4.425 135 HB3 LYS 13 HB1 LYS 13 44.868 5.744 -3.449 136 HG2 LYS 13 HG2 LYS 13 43.497 7.281 -5.643 137 HG3 LYS 13 HG1 LYS 13 44.637 6.040 -6.194 138 HD2 LYS 13 HD2 LYS 13 42.565 5.374 -4.067 139 HD3 LYS 13 HD1 LYS 13 42.127 5.363 -5.789 140 HE2 LYS 13 HE2 LYS 13 44.357 3.728 -4.487 141 HE3 LYS 13 HE1 LYS 13 42.796 3.109 -5.067 142 HZ1 LYS 13 HZ1 LYS 13 45.045 4.207 -6.653 143 HZ2 LYS 13 HZ2 LYS 13 43.475 4.103 -7.292 144 HZ3 LYS 13 HZ3 LYS 13 44.287 2.697 -6.795 145 H GLY 14 HN GLY 14 43.364 7.239 -1.099 146 HA2 GLY 14 HA1 GLY 14 40.598 7.011 -2.187 147 HA3 GLY 14 HA2 GLY 14 41.177 6.441 -0.611 148 H VAL 15 HN VAL 15 42.488 8.814 0.269 149 HA VAL 15 HA VAL 15 40.075 10.598 0.665 150 HB VAL 15 HB VAL 15 41.180 11.229 2.837 151 HG11 VAL 15 HG11 VAL 15 39.373 9.572 2.785 152 HG12 VAL 15 HG12 VAL 15 40.598 9.081 3.980 153 HG13 VAL 15 HG13 VAL 15 40.533 8.282 2.391 154 HG21 VAL 15 HG21 VAL 15 42.906 9.561 3.685 155 HG22 VAL 15 HG22 VAL 15 43.489 10.638 2.395 156 HG23 VAL 15 HG23 VAL 15 43.045 8.957 2.018 157 H LYS 16 HN LYS 16 43.630 10.508 0.295 158 HA LYS 16 HA LYS 16 43.961 13.365 0.306 159 HB2 LYS 16 HB2 LYS 16 45.764 11.603 0.634 160 HB3 LYS 16 HB1 LYS 16 45.714 11.337 -1.126 161 HG2 LYS 16 HG2 LYS 16 46.278 13.693 -1.532 162 HG3 LYS 16 HG1 LYS 16 46.243 14.025 0.218 163 HD2 LYS 16 HD2 LYS 16 48.052 12.255 0.486 164 HD3 LYS 16 HD1 LYS 16 48.181 12.222 -1.288 165 HE2 LYS 16 HE2 LYS 16 48.603 14.706 -1.244 166 HE3 LYS 16 HE1 LYS 16 48.635 14.623 0.533 167 HZ1 LYS 16 HZ1 LYS 16 50.301 12.606 -0.374 168 HZ2 LYS 16 HZ2 LYS 16 50.761 14.065 0.367 169 HZ3 LYS 16 HZ3 LYS 16 50.675 13.959 -1.327 170 H ILE 17 HN ILE 17 42.958 11.065 -2.162 171 HA ILE 17 HA ILE 17 43.617 12.245 -4.545 172 HB ILE 17 HB ILE 17 42.213 10.253 -4.457 173 HG12 ILE 17 HG12 ILE 17 40.596 10.753 -6.213 174 HG13 ILE 17 HG11 ILE 17 40.613 12.481 -5.810 175 HG21 ILE 17 HG21 ILE 17 39.931 12.058 -3.573 176 HG22 ILE 17 HG22 ILE 17 40.881 11.053 -2.455 177 HG23 ILE 17 HG23 ILE 17 39.910 10.289 -3.735 178 HD11 ILE 17 HD1 ILE 17 43.178 11.050 -6.597 179 HD12 ILE 17 HD2 ILE 17 42.794 12.787 -6.687 180 HD13 ILE 17 HD3 ILE 17 42.053 11.651 -7.837 181 H ILE 18 HN ILE 18 41.050 13.410 -2.323 182 HA ILE 18 HA ILE 18 41.399 16.119 -3.235 183 HB ILE 18 HB ILE 18 40.079 14.957 -5.183 184 HG12 ILE 18 HG12 ILE 18 38.944 17.472 -3.870 185 HG13 ILE 18 HG11 ILE 18 40.375 17.419 -4.924 186 HG21 ILE 18 HG21 ILE 18 37.688 15.494 -3.384 187 HG22 ILE 18 HG22 ILE 18 38.454 13.891 -3.455 188 HG23 ILE 18 HG23 ILE 18 37.749 14.603 -4.923 189 HD11 ILE 18 HD1 ILE 18 38.577 18.051 -6.356 190 HD12 ILE 18 HD2 ILE 18 37.481 16.841 -5.647 191 HD13 ILE 18 HD3 ILE 18 38.833 16.320 -6.683 192 H GLY 19 HN GLY 19 40.628 13.927 -1.009 193 HA2 GLY 19 HA1 GLY 19 38.312 14.667 0.323 194 HA3 GLY 19 HA2 GLY 19 39.806 14.184 1.148 195 H GLY 20 HN GLY 20 41.182 16.586 -0.139 196 HA2 GLY 20 HA1 GLY 20 41.460 18.857 0.300 197 HA3 GLY 20 HA2 GLY 20 39.850 18.900 1.044 198 H ALA 21 HN ALA 21 39.982 17.146 3.091 199 HA ALA 21 HA ALA 21 41.464 18.630 5.059 200 HB1 ALA 21 HB1 ALA 21 40.743 16.886 6.608 201 HB2 ALA 21 HB2 ALA 21 40.297 15.830 5.245 202 HB3 ALA 21 HB3 ALA 21 39.400 17.341 5.533 203 H ALA 22 HN ALA 22 41.900 15.275 3.829 204 HA ALA 22 HA ALA 22 44.429 14.911 5.157 205 HB1 ALA 22 HB1 ALA 22 43.075 13.021 4.426 206 HB2 ALA 22 HB2 ALA 22 44.664 12.968 3.624 207 HB3 ALA 22 HB3 ALA 22 43.231 13.531 2.729 208 H LEU 23 HN LEU 23 43.456 16.495 2.217 209 HA LEU 23 HA LEU 23 45.815 16.332 0.680 210 HB2 LEU 23 HB2 LEU 23 43.513 17.456 0.174 211 HB3 LEU 23 HB1 LEU 23 44.207 18.893 0.951 212 HG LEU 23 HG LEU 23 46.253 18.442 -0.710 213 HD11 LEU 23 HD11 LEU 23 45.441 17.539 -2.900 214 HD12 LEU 23 HD12 LEU 23 43.916 17.067 -2.116 215 HD13 LEU 23 HD13 LEU 23 45.445 16.305 -1.622 216 HD21 LEU 23 HD21 LEU 23 44.830 20.456 -0.761 217 HD22 LEU 23 HD22 LEU 23 43.570 19.559 -1.643 218 HD23 LEU 23 HD23 LEU 23 45.142 19.877 -2.415 219 H ASP 24 HN ASP 24 45.408 17.622 3.792 220 HA ASP 24 HA ASP 24 48.161 18.698 3.745 221 HB2 ASP 24 HB2 ASP 24 46.784 20.642 3.023 222 HB3 ASP 24 HB1 ASP 24 45.812 20.482 4.506 223 H HIS 25 HN HIS 25 45.952 16.796 5.085 224 HA HIS 25 HA HIS 25 45.617 15.918 7.206 225 HB2 HIS 25 HB2 HIS 25 48.404 17.027 7.720 226 HB3 HIS 25 HB1 HIS 25 47.595 15.721 8.620 227 HD1 HIS 25 HD1 HIS 25 48.114 16.402 4.859 228 HD2 HIS 25 HD2 HIS 25 48.528 13.310 7.680 229 HE1 HIS 25 HE1 HIS 25 48.991 14.349 3.615 230 H LEU 26 HN LEU 26 44.004 16.985 8.209 231 HA LEU 26 HA LEU 26 44.239 19.704 9.125 232 HB2 LEU 26 HB2 LEU 26 42.130 18.183 8.624 233 HB3 LEU 26 HB1 LEU 26 42.290 17.718 10.324 234 HG LEU 26 HG LEU 26 40.741 19.541 10.266 235 HD11 LEU 26 HD11 LEU 26 41.786 21.168 11.687 236 HD12 LEU 26 HD12 LEU 26 43.399 20.823 11.025 237 HD13 LEU 26 HD13 LEU 26 42.565 19.607 12.023 238 HD21 LEU 26 HD21 LEU 26 40.941 21.531 9.023 239 HD22 LEU 26 HD22 LEU 26 41.656 20.341 7.918 240 HD23 LEU 26 HD23 LEU 26 42.705 21.406 8.877 Start of MODEL 37 1 H1 GLY 1 HT1 GLY 1 55.347 -1.123 -1.439 2 H2 GLY 1 HT2 GLY 1 54.640 -1.512 -2.934 3 H3 GLY 1 HT3 GLY 1 54.006 -0.246 -1.993 4 HA2 GLY 1 HA1 GLY 1 56.219 -0.292 -3.805 5 HA3 GLY 1 HA2 GLY 1 55.181 1.053 -3.294 6 H ARG 2 HN ARG 2 57.575 1.901 -3.498 7 HA ARG 2 HA ARG 2 58.392 2.484 -0.788 8 HB2 ARG 2 HB2 ARG 2 59.326 0.124 -1.181 9 HB3 ARG 2 HB1 ARG 2 60.405 0.859 -2.387 10 HG2 ARG 2 HG2 ARG 2 61.463 2.250 -0.726 11 HG3 ARG 2 HG1 ARG 2 60.229 1.852 0.492 12 HD2 ARG 2 HD2 ARG 2 62.385 0.597 0.806 13 HD3 ARG 2 HD1 ARG 2 60.975 -0.464 0.573 14 HE ARG 2 HE ARG 2 61.971 -1.211 -1.432 15 HH11 ARG 2 HH11 ARG 2 62.142 1.474 -2.745 16 HH12 ARG 2 HH12 ARG 2 63.848 1.666 -2.964 17 HH21 ARG 2 HH21 ARG 2 64.685 -0.832 -0.709 18 HH22 ARG 2 HH22 ARG 2 65.289 0.360 -1.811 19 H ARG 3 HN ARG 3 58.168 3.059 -4.035 20 HA ARG 3 HA ARG 3 60.457 4.450 -4.822 21 HB2 ARG 3 HB2 ARG 3 58.295 4.062 -6.133 22 HB3 ARG 3 HB1 ARG 3 57.637 5.488 -5.294 23 HG2 ARG 3 HG2 ARG 3 59.635 6.804 -6.127 24 HG3 ARG 3 HG1 ARG 3 60.092 5.386 -7.101 25 HD2 ARG 3 HD2 ARG 3 57.383 6.775 -7.272 26 HD3 ARG 3 HD1 ARG 3 58.744 7.105 -8.370 27 HE ARG 3 HE ARG 3 58.128 4.268 -8.258 28 HH11 ARG 3 HH11 ARG 3 55.537 4.580 -8.999 29 HH12 ARG 3 HH12 ARG 3 55.516 5.112 -10.648 30 HH21 ARG 3 HH21 ARG 3 58.829 6.141 -10.633 31 HH22 ARG 3 HH22 ARG 3 57.381 5.996 -11.573 32 H LYS 4 HN LYS 4 58.150 5.275 -2.344 33 HA LYS 4 HA LYS 4 59.778 7.695 -1.675 34 HB2 LYS 4 HB2 LYS 4 56.737 7.723 -1.840 35 HB3 LYS 4 HB1 LYS 4 57.797 9.075 -1.370 36 HG2 LYS 4 HG2 LYS 4 58.893 8.880 -3.658 37 HG3 LYS 4 HG1 LYS 4 57.602 7.735 -4.098 38 HD2 LYS 4 HD2 LYS 4 55.891 9.435 -3.635 39 HD3 LYS 4 HD1 LYS 4 57.144 10.580 -3.097 40 HE2 LYS 4 HE2 LYS 4 58.142 10.603 -5.333 41 HE3 LYS 4 HE1 LYS 4 56.993 9.362 -5.889 42 HZ1 LYS 4 HZ1 LYS 4 55.552 10.963 -6.343 43 HZ2 LYS 4 HZ2 LYS 4 56.647 12.146 -5.807 44 HZ3 LYS 4 HZ3 LYS 4 55.540 11.455 -4.721 45 H ARG 5 HN ARG 5 59.436 8.436 0.524 46 HA ARG 5 HA ARG 5 59.165 6.175 2.332 47 HB2 ARG 5 HB2 ARG 5 60.740 8.118 2.671 48 HB3 ARG 5 HB1 ARG 5 59.328 9.145 2.984 49 HG2 ARG 5 HG2 ARG 5 60.302 8.383 5.109 50 HG3 ARG 5 HG1 ARG 5 58.682 7.691 4.894 51 HD2 ARG 5 HD2 ARG 5 60.732 6.156 5.673 52 HD3 ARG 5 HD1 ARG 5 59.500 5.523 4.561 53 HE ARG 5 HE ARG 5 61.133 5.510 2.842 54 HH11 ARG 5 HH11 ARG 5 61.928 8.384 4.114 55 HH12 ARG 5 HH12 ARG 5 63.642 8.142 4.183 56 HH21 ARG 5 HH21 ARG 5 63.454 4.737 3.553 57 HH22 ARG 5 HH22 ARG 5 64.506 6.078 3.865 58 H LYS 6 HN LYS 6 56.928 5.659 1.545 59 HA LYS 6 HA LYS 6 54.644 5.599 1.933 60 HB2 LYS 6 HB2 LYS 6 55.216 7.125 4.499 61 HB3 LYS 6 HB1 LYS 6 53.901 5.970 4.171 62 HG2 LYS 6 HG2 LYS 6 55.691 4.198 3.792 63 HG3 LYS 6 HG1 LYS 6 56.877 5.371 4.414 64 HD2 LYS 6 HD2 LYS 6 55.425 5.582 6.495 65 HD3 LYS 6 HD1 LYS 6 54.479 4.203 5.884 66 HE2 LYS 6 HE2 LYS 6 57.466 4.217 6.502 67 HE3 LYS 6 HE1 LYS 6 56.196 3.394 7.438 68 HZ1 LYS 6 HZ1 LYS 6 55.665 2.255 5.215 69 HZ2 LYS 6 HZ2 LYS 6 57.037 1.738 6.074 70 HZ3 LYS 6 HZ3 LYS 6 57.209 2.764 4.732 71 H TRP 7 HN TRP 7 55.015 7.353 0.110 72 HA TRP 7 HA TRP 7 53.107 9.532 0.765 73 HB2 TRP 7 HB2 TRP 7 55.936 10.028 -0.249 74 HB3 TRP 7 HB1 TRP 7 54.622 11.222 -0.360 75 HD1 TRP 7 HD1 TRP 7 57.333 10.186 1.861 76 HE1 TRP 7 HE1 TRP 7 57.044 11.134 4.265 77 HE3 TRP 7 HE3 TRP 7 52.452 11.703 1.550 78 HZ2 TRP 7 HZ2 TRP 7 54.961 12.377 5.813 79 HZ3 TRP 7 HZ3 TRP 7 51.335 12.768 3.504 80 HH2 TRP 7 HH2 TRP 7 52.583 13.107 5.633 81 H LEU 8 HN LEU 8 53.790 6.988 -0.940 82 HA LEU 8 HA LEU 8 53.382 8.067 -3.676 83 HB2 LEU 8 HB2 LEU 8 53.268 5.334 -3.978 84 HB3 LEU 8 HB1 LEU 8 54.780 6.256 -3.954 85 HG LEU 8 HG LEU 8 55.021 5.826 -1.520 86 HD11 LEU 8 HD11 LEU 8 52.597 3.999 -1.841 87 HD12 LEU 8 HD12 LEU 8 52.534 5.587 -1.044 88 HD13 LEU 8 HD13 LEU 8 53.533 4.289 -0.356 89 HD21 LEU 8 HD21 LEU 8 55.492 3.406 -1.710 90 HD22 LEU 8 HD22 LEU 8 56.016 4.282 -3.170 91 HD23 LEU 8 HD23 LEU 8 54.510 3.332 -3.193 92 H ARG 9 HN ARG 9 51.306 8.994 -2.492 93 HA ARG 9 HA ARG 9 48.994 8.958 -2.359 94 HB2 ARG 9 HB2 ARG 9 49.248 6.888 -4.573 95 HB3 ARG 9 HB1 ARG 9 47.814 7.867 -4.205 96 HG2 ARG 9 HG2 ARG 9 50.505 9.111 -4.912 97 HG3 ARG 9 HG1 ARG 9 49.306 8.680 -6.147 98 HD2 ARG 9 HD2 ARG 9 48.985 10.690 -3.878 99 HD3 ARG 9 HD1 ARG 9 48.979 11.011 -5.623 100 HE ARG 9 HE ARG 9 46.697 10.157 -4.071 101 HH11 ARG 9 HH11 ARG 9 47.474 7.949 -6.132 102 HH12 ARG 9 HH12 ARG 9 46.413 8.372 -7.434 103 HH21 ARG 9 HH21 ARG 9 45.676 11.514 -6.166 104 HH22 ARG 9 HH22 ARG 9 45.395 10.390 -7.453 105 H ARG 10 HN ARG 10 50.379 7.227 -0.539 106 HA ARG 10 HA ARG 10 49.319 4.613 -0.382 107 HB2 ARG 10 HB2 ARG 10 49.435 5.224 2.254 108 HB3 ARG 10 HB1 ARG 10 50.903 4.971 1.284 109 HG2 ARG 10 HG2 ARG 10 51.340 7.286 1.080 110 HG3 ARG 10 HG1 ARG 10 49.675 7.744 1.495 111 HD2 ARG 10 HD2 ARG 10 50.048 6.889 3.818 112 HD3 ARG 10 HD1 ARG 10 51.735 6.522 3.384 113 HE ARG 10 HE ARG 10 52.211 8.829 3.577 114 HH11 ARG 10 HH11 ARG 10 50.943 10.521 1.965 115 HH12 ARG 10 HH12 ARG 10 49.573 11.177 2.799 116 HH21 ARG 10 HH21 ARG 10 49.526 8.698 5.220 117 HH22 ARG 10 HH22 ARG 10 48.770 10.144 4.641 118 H ILE 11 HN ILE 11 48.136 7.013 1.955 119 HA ILE 11 HA ILE 11 45.393 5.912 1.627 120 HB ILE 11 HB ILE 11 46.271 6.203 3.920 121 HG12 ILE 11 HG12 ILE 11 44.154 8.349 3.439 122 HG13 ILE 11 HG11 ILE 11 43.791 6.618 3.262 123 HG21 ILE 11 HG21 ILE 11 47.779 8.140 3.325 124 HG22 ILE 11 HG22 ILE 11 46.829 8.402 4.803 125 HG23 ILE 11 HG23 ILE 11 46.343 9.186 3.281 126 HD11 ILE 11 HD1 ILE 11 44.716 8.082 5.765 127 HD12 ILE 11 HD2 ILE 11 44.693 6.307 5.635 128 HD13 ILE 11 HD3 ILE 11 43.180 7.230 5.501 129 H GLY 12 HN GLY 12 47.313 8.525 0.482 130 HA2 GLY 12 HA1 GLY 12 45.433 10.637 0.386 131 HA3 GLY 12 HA2 GLY 12 46.729 10.367 -0.801 132 H LYS 13 HN LYS 13 45.919 7.886 -1.823 133 HA LYS 13 HA LYS 13 44.151 8.600 -3.876 134 HB2 LYS 13 HB2 LYS 13 45.517 6.555 -3.912 135 HB3 LYS 13 HB1 LYS 13 44.548 5.874 -2.582 136 HG2 LYS 13 HG2 LYS 13 42.569 5.783 -3.953 137 HG3 LYS 13 HG1 LYS 13 43.337 6.750 -5.234 138 HD2 LYS 13 HD2 LYS 13 43.280 4.302 -5.775 139 HD3 LYS 13 HD1 LYS 13 44.935 4.949 -5.692 140 HE2 LYS 13 HE2 LYS 13 45.368 3.912 -3.605 141 HE3 LYS 13 HE1 LYS 13 43.638 3.700 -3.241 142 HZ1 LYS 13 HZ1 LYS 13 44.542 1.608 -3.895 143 HZ2 LYS 13 HZ2 LYS 13 45.235 2.262 -5.302 144 HZ3 LYS 13 HZ3 LYS 13 43.545 2.147 -5.156 145 H GLY 14 HN GLY 14 43.534 7.998 -0.562 146 HA2 GLY 14 HA1 GLY 14 40.650 7.416 -0.961 147 HA3 GLY 14 HA2 GLY 14 41.542 7.426 0.575 148 H VAL 15 HN VAL 15 42.790 9.932 0.476 149 HA VAL 15 HA VAL 15 40.368 11.734 0.628 150 HB VAL 15 HB VAL 15 41.771 13.101 2.207 151 HG11 VAL 15 HG11 VAL 15 41.477 11.530 4.115 152 HG12 VAL 15 HG12 VAL 15 41.262 10.189 2.964 153 HG13 VAL 15 HG13 VAL 15 40.072 11.512 3.023 154 HG21 VAL 15 HG21 VAL 15 43.618 10.690 1.912 155 HG22 VAL 15 HG22 VAL 15 43.699 11.811 3.290 156 HG23 VAL 15 HG23 VAL 15 44.016 12.404 1.646 157 H LYS 16 HN LYS 16 43.868 11.662 -0.232 158 HA LYS 16 HA LYS 16 44.048 14.292 -1.223 159 HB2 LYS 16 HB2 LYS 16 45.929 12.589 -1.002 160 HB3 LYS 16 HB1 LYS 16 45.371 11.892 -2.542 161 HG2 LYS 16 HG2 LYS 16 45.593 14.183 -3.583 162 HG3 LYS 16 HG1 LYS 16 46.323 14.752 -2.065 163 HD2 LYS 16 HD2 LYS 16 47.391 12.433 -3.735 164 HD3 LYS 16 HD1 LYS 16 48.017 14.094 -3.809 165 HE2 LYS 16 HE2 LYS 16 48.315 13.849 -1.207 166 HE3 LYS 16 HE1 LYS 16 48.181 12.102 -1.527 167 HZ1 LYS 16 HZ1 LYS 16 50.018 12.225 -3.027 168 HZ2 LYS 16 HZ2 LYS 16 50.485 12.967 -1.571 169 HZ3 LYS 16 HZ3 LYS 16 50.082 13.917 -2.922 170 H ILE 17 HN ILE 17 42.492 11.445 -2.599 171 HA ILE 17 HA ILE 17 42.241 12.530 -5.277 172 HB ILE 17 HB ILE 17 41.986 10.065 -4.486 173 HG12 ILE 17 HG12 ILE 17 39.960 9.785 -6.245 174 HG13 ILE 17 HG11 ILE 17 40.275 11.508 -6.537 175 HG21 ILE 17 HG21 ILE 17 39.925 9.300 -3.637 176 HG22 ILE 17 HG22 ILE 17 39.050 10.757 -4.142 177 HG23 ILE 17 HG23 ILE 17 40.166 10.826 -2.757 178 HD11 ILE 17 HD1 ILE 17 42.676 10.972 -6.977 179 HD12 ILE 17 HD2 ILE 17 41.582 10.122 -8.093 180 HD13 ILE 17 HD3 ILE 17 42.315 9.248 -6.726 181 H ILE 18 HN ILE 18 41.471 14.346 -3.019 182 HA ILE 18 HA ILE 18 39.696 15.673 -2.309 183 HB ILE 18 HB ILE 18 38.621 16.929 -4.195 184 HG12 ILE 18 HG12 ILE 18 40.313 15.121 -5.990 185 HG13 ILE 18 HG11 ILE 18 38.556 14.948 -5.784 186 HG21 ILE 18 HG21 ILE 18 40.936 17.431 -3.243 187 HG22 ILE 18 HG22 ILE 18 40.651 18.025 -4.893 188 HG23 ILE 18 HG23 ILE 18 41.613 16.550 -4.632 189 HD11 ILE 18 HD1 ILE 18 40.097 17.241 -7.039 190 HD12 ILE 18 HD2 ILE 18 38.424 17.456 -6.468 191 HD13 ILE 18 HD3 ILE 18 38.786 16.268 -7.741 192 H GLY 19 HN GLY 19 38.890 13.150 -1.879 193 HA2 GLY 19 HA1 GLY 19 36.339 12.611 -3.214 194 HA3 GLY 19 HA2 GLY 19 37.038 11.731 -1.841 195 H GLY 20 HN GLY 20 36.431 15.228 -2.056 196 HA2 GLY 20 HA1 GLY 20 34.870 16.545 -0.944 197 HA3 GLY 20 HA2 GLY 20 33.968 15.080 -0.509 198 H ALA 21 HN ALA 21 36.599 13.959 0.598 199 HA ALA 21 HA ALA 21 36.111 14.717 3.332 200 HB1 ALA 21 HB1 ALA 21 38.481 13.320 2.042 201 HB2 ALA 21 HB2 ALA 21 37.042 12.542 2.744 202 HB3 ALA 21 HB3 ALA 21 38.181 13.420 3.793 203 H ALA 22 HN ALA 22 38.803 15.453 1.072 204 HA ALA 22 HA ALA 22 40.043 17.301 2.961 205 HB1 ALA 22 HB1 ALA 22 40.494 17.008 -0.028 206 HB2 ALA 22 HB2 ALA 22 41.291 16.019 1.218 207 HB3 ALA 22 HB3 ALA 22 41.586 17.772 1.150 208 H LEU 23 HN LEU 23 37.876 17.542 0.155 209 HA LEU 23 HA LEU 23 37.995 20.463 0.088 210 HB2 LEU 23 HB2 LEU 23 37.431 18.828 -1.848 211 HB3 LEU 23 HB1 LEU 23 35.816 18.722 -1.114 212 HG LEU 23 HG LEU 23 35.940 21.393 -1.164 213 HD11 LEU 23 HD11 LEU 23 37.912 20.574 -3.349 214 HD12 LEU 23 HD12 LEU 23 38.263 21.594 -1.933 215 HD13 LEU 23 HD13 LEU 23 37.170 22.183 -3.205 216 HD21 LEU 23 HD21 LEU 23 34.292 20.069 -2.417 217 HD22 LEU 23 HD22 LEU 23 35.510 19.685 -3.657 218 HD23 LEU 23 HD23 LEU 23 34.942 21.361 -3.455 219 H ASP 24 HN ASP 24 37.472 19.576 2.703 220 HA ASP 24 HA ASP 24 35.113 21.139 3.289 221 HB2 ASP 24 HB2 ASP 24 34.067 18.982 2.478 222 HB3 ASP 24 HB1 ASP 24 34.850 18.162 3.849 223 H HIS 25 HN HIS 25 37.735 19.018 4.149 224 HA HIS 25 HA HIS 25 38.914 18.744 6.132 225 HB2 HIS 25 HB2 HIS 25 39.303 21.176 5.651 226 HB3 HIS 25 HB1 HIS 25 37.927 21.564 6.711 227 HD1 HIS 25 HD1 HIS 25 38.916 22.444 8.836 228 HD2 HIS 25 HD2 HIS 25 40.968 19.059 7.416 229 HE1 HIS 25 HE1 HIS 25 40.649 21.809 10.602 230 H LEU 26 HN LEU 26 37.161 17.154 6.679 231 HA LEU 26 HA LEU 26 35.031 17.881 8.456 232 HB2 LEU 26 HB2 LEU 26 35.523 15.670 7.081 233 HB3 LEU 26 HB1 LEU 26 36.371 15.160 8.556 234 HG LEU 26 HG LEU 26 33.453 16.041 8.349 235 HD11 LEU 26 HD11 LEU 26 34.685 13.351 9.087 236 HD12 LEU 26 HD12 LEU 26 34.033 13.752 7.479 237 HD13 LEU 26 HD13 LEU 26 32.955 13.717 8.895 238 HD21 LEU 26 HD21 LEU 26 34.180 16.776 10.499 239 HD22 LEU 26 HD22 LEU 26 35.236 15.359 10.723 240 HD23 LEU 26 HD23 LEU 26 33.467 15.177 10.803 Start of MODEL 38 1 H1 GLY 1 HT1 GLY 1 58.938 0.832 3.366 2 H2 GLY 1 HT2 GLY 1 57.991 0.932 1.959 3 H3 GLY 1 HT3 GLY 1 58.856 2.289 2.505 4 HA2 GLY 1 HA1 GLY 1 60.825 1.550 1.785 5 HA3 GLY 1 HA2 GLY 1 60.327 -0.147 1.937 6 H ARG 2 HN ARG 2 59.354 2.818 0.155 7 HA ARG 2 HA ARG 2 59.808 1.576 -2.413 8 HB2 ARG 2 HB2 ARG 2 57.692 0.388 -1.622 9 HB3 ARG 2 HB1 ARG 2 56.884 1.969 -1.674 10 HG2 ARG 2 HG2 ARG 2 56.374 1.149 -3.812 11 HG3 ARG 2 HG1 ARG 2 57.856 2.065 -4.156 12 HD2 ARG 2 HD2 ARG 2 57.896 -0.189 -5.207 13 HD3 ARG 2 HD1 ARG 2 59.190 -0.017 -4.002 14 HE ARG 2 HE ARG 2 56.853 -1.141 -2.757 15 HH11 ARG 2 HH11 ARG 2 57.289 -2.595 -5.466 16 HH12 ARG 2 HH12 ARG 2 58.223 -3.953 -4.935 17 HH21 ARG 2 HH21 ARG 2 58.969 -2.569 -1.844 18 HH22 ARG 2 HH22 ARG 2 59.173 -3.940 -2.884 19 H ARG 3 HN ARG 3 60.574 3.286 -3.453 20 HA ARG 3 HA ARG 3 60.804 5.481 -4.170 21 HB2 ARG 3 HB2 ARG 3 57.773 5.250 -4.019 22 HB3 ARG 3 HB1 ARG 3 58.621 6.638 -4.744 23 HG2 ARG 3 HG2 ARG 3 59.809 5.061 -6.286 24 HG3 ARG 3 HG1 ARG 3 58.853 3.721 -5.607 25 HD2 ARG 3 HD2 ARG 3 56.760 4.989 -6.260 26 HD3 ARG 3 HD1 ARG 3 57.803 6.158 -7.106 27 HE ARG 3 HE ARG 3 58.033 4.568 -8.832 28 HH11 ARG 3 HH11 ARG 3 58.105 2.453 -9.655 29 HH12 ARG 3 HH12 ARG 3 57.461 1.155 -8.705 30 HH21 ARG 3 HH21 ARG 3 56.750 3.162 -5.968 31 HH22 ARG 3 HH22 ARG 3 56.693 1.558 -6.617 32 H LYS 4 HN LYS 4 57.914 6.748 -2.814 33 HA LYS 4 HA LYS 4 59.484 8.468 -1.015 34 HB2 LYS 4 HB2 LYS 4 56.465 8.284 -1.340 35 HB3 LYS 4 HB1 LYS 4 57.399 9.632 -0.647 36 HG2 LYS 4 HG2 LYS 4 58.591 9.812 -2.903 37 HG3 LYS 4 HG1 LYS 4 57.374 8.679 -3.539 38 HD2 LYS 4 HD2 LYS 4 55.565 10.217 -2.911 39 HD3 LYS 4 HD1 LYS 4 56.740 11.332 -2.174 40 HE2 LYS 4 HE2 LYS 4 57.877 11.468 -4.455 41 HE3 LYS 4 HE1 LYS 4 56.475 10.591 -5.116 42 HZ1 LYS 4 HZ1 LYS 4 55.031 12.327 -4.451 43 HZ2 LYS 4 HZ2 LYS 4 56.342 13.074 -5.232 44 HZ3 LYS 4 HZ3 LYS 4 56.234 13.098 -3.536 45 H ARG 5 HN ARG 5 59.641 5.706 -0.342 46 HA ARG 5 HA ARG 5 59.461 4.323 1.502 47 HB2 ARG 5 HB2 ARG 5 58.727 6.890 2.965 48 HB3 ARG 5 HB1 ARG 5 59.317 5.381 3.701 49 HG2 ARG 5 HG2 ARG 5 61.448 5.581 2.530 50 HG3 ARG 5 HG1 ARG 5 60.861 7.001 1.631 51 HD2 ARG 5 HD2 ARG 5 61.177 6.835 4.660 52 HD3 ARG 5 HD1 ARG 5 62.285 7.674 3.550 53 HE ARG 5 HE ARG 5 59.666 8.693 3.096 54 HH11 ARG 5 HH11 ARG 5 62.104 10.349 3.733 55 HH12 ARG 5 HH12 ARG 5 61.660 11.061 5.248 56 HH21 ARG 5 HH21 ARG 5 59.072 8.832 5.841 57 HH22 ARG 5 HH22 ARG 5 59.944 10.204 6.442 58 H LYS 6 HN LYS 6 56.964 6.666 2.541 59 HA LYS 6 HA LYS 6 54.791 4.847 1.761 60 HB2 LYS 6 HB2 LYS 6 54.053 4.950 4.375 61 HB3 LYS 6 HB1 LYS 6 55.018 3.616 3.710 62 HG2 LYS 6 HG2 LYS 6 56.009 4.445 5.805 63 HG3 LYS 6 HG1 LYS 6 57.104 4.750 4.442 64 HD2 LYS 6 HD2 LYS 6 56.331 7.095 4.327 65 HD3 LYS 6 HD1 LYS 6 55.179 6.788 5.650 66 HE2 LYS 6 HE2 LYS 6 57.061 6.215 7.156 67 HE3 LYS 6 HE1 LYS 6 58.213 6.528 5.835 68 HZ1 LYS 6 HZ1 LYS 6 56.507 8.439 7.308 69 HZ2 LYS 6 HZ2 LYS 6 57.039 8.807 5.736 70 HZ3 LYS 6 HZ3 LYS 6 58.167 8.523 6.974 71 H TRP 7 HN TRP 7 54.511 6.901 0.575 72 HA TRP 7 HA TRP 7 52.489 8.495 1.915 73 HB2 TRP 7 HB2 TRP 7 54.598 9.496 2.861 74 HB3 TRP 7 HB1 TRP 7 55.073 9.933 1.203 75 HD1 TRP 7 HD1 TRP 7 52.249 10.584 3.755 76 HE1 TRP 7 HE1 TRP 7 51.156 12.888 3.250 77 HE3 TRP 7 HE3 TRP 7 54.781 11.755 -0.538 78 HZ2 TRP 7 HZ2 TRP 7 51.376 14.941 1.243 79 HZ3 TRP 7 HZ3 TRP 7 54.323 13.893 -1.732 80 HH2 TRP 7 HH2 TRP 7 52.624 15.485 -0.845 81 H LEU 8 HN LEU 8 53.485 6.952 -0.640 82 HA LEU 8 HA LEU 8 53.361 8.859 -2.789 83 HB2 LEU 8 HB2 LEU 8 52.653 6.726 -4.125 84 HB3 LEU 8 HB1 LEU 8 54.272 6.776 -3.401 85 HG LEU 8 HG LEU 8 52.149 5.690 -1.577 86 HD11 LEU 8 HD11 LEU 8 51.284 4.660 -3.571 87 HD12 LEU 8 HD12 LEU 8 52.236 3.425 -2.715 88 HD13 LEU 8 HD13 LEU 8 52.918 4.246 -4.141 89 HD21 LEU 8 HD21 LEU 8 53.886 4.154 -0.952 90 HD22 LEU 8 HD22 LEU 8 54.689 5.722 -1.198 91 HD23 LEU 8 HD23 LEU 8 54.797 4.462 -2.449 92 H ARG 9 HN ARG 9 50.968 6.295 -2.825 93 HA ARG 9 HA ARG 9 48.748 8.306 -2.592 94 HB2 ARG 9 HB2 ARG 9 49.004 6.185 -4.764 95 HB3 ARG 9 HB1 ARG 9 47.637 7.294 -4.540 96 HG2 ARG 9 HG2 ARG 9 50.499 8.233 -5.033 97 HG3 ARG 9 HG1 ARG 9 49.318 7.982 -6.334 98 HD2 ARG 9 HD2 ARG 9 47.769 9.581 -4.978 99 HD3 ARG 9 HD1 ARG 9 49.245 10.028 -4.092 100 HE ARG 9 HE ARG 9 48.594 10.802 -6.818 101 HH11 ARG 9 HH11 ARG 9 51.019 9.670 -7.642 102 HH12 ARG 9 HH12 ARG 9 52.258 10.761 -7.120 103 HH21 ARG 9 HH21 ARG 9 50.231 12.383 -4.821 104 HH22 ARG 9 HH22 ARG 9 51.812 12.297 -5.523 105 H ARG 10 HN ARG 10 50.091 5.797 -1.150 106 HA ARG 10 HA ARG 10 48.369 3.632 -1.036 107 HB2 ARG 10 HB2 ARG 10 48.850 3.820 1.607 108 HB3 ARG 10 HB1 ARG 10 50.140 3.402 0.456 109 HG2 ARG 10 HG2 ARG 10 51.069 5.579 0.497 110 HG3 ARG 10 HG1 ARG 10 49.596 6.311 1.161 111 HD2 ARG 10 HD2 ARG 10 51.310 4.289 2.666 112 HD3 ARG 10 HD1 ARG 10 51.483 6.053 2.832 113 HE ARG 10 HE ARG 10 48.739 5.200 3.262 114 HH11 ARG 10 HH11 ARG 10 50.129 7.350 4.817 115 HH12 ARG 10 HH12 ARG 10 50.330 6.605 6.367 116 HH21 ARG 10 HH21 ARG 10 49.749 3.393 5.194 117 HH22 ARG 10 HH22 ARG 10 50.115 4.364 6.581 118 H ILE 11 HN ILE 11 47.997 5.854 1.702 119 HA ILE 11 HA ILE 11 45.092 5.413 1.656 120 HB ILE 11 HB ILE 11 46.282 5.506 3.826 121 HG12 ILE 11 HG12 ILE 11 44.875 7.131 4.995 122 HG13 ILE 11 HG11 ILE 11 44.559 8.011 3.487 123 HG21 ILE 11 HG21 ILE 11 47.353 7.566 4.595 124 HG22 ILE 11 HG22 ILE 11 46.911 8.395 3.084 125 HG23 ILE 11 HG23 ILE 11 48.086 7.060 3.057 126 HD11 ILE 11 HD1 ILE 11 43.855 5.063 3.703 127 HD12 ILE 11 HD2 ILE 11 43.154 6.309 2.640 128 HD13 ILE 11 HD3 ILE 11 42.763 6.297 4.375 129 H GLY 12 HN GLY 12 47.368 7.658 0.368 130 HA2 GLY 12 HA1 GLY 12 45.841 10.053 0.367 131 HA3 GLY 12 HA2 GLY 12 47.053 9.601 -0.851 132 H LYS 13 HN LYS 13 45.763 7.207 -1.739 133 HA LYS 13 HA LYS 13 44.147 8.195 -3.827 134 HB2 LYS 13 HB2 LYS 13 45.146 5.955 -3.843 135 HB3 LYS 13 HB1 LYS 13 44.109 5.463 -2.483 136 HG2 LYS 13 HG2 LYS 13 42.120 5.618 -3.811 137 HG3 LYS 13 HG1 LYS 13 42.969 6.481 -5.115 138 HD2 LYS 13 HD2 LYS 13 42.570 4.065 -5.651 139 HD3 LYS 13 HD1 LYS 13 44.297 4.486 -5.624 140 HE2 LYS 13 HE2 LYS 13 44.648 3.417 -3.533 141 HE3 LYS 13 HE1 LYS 13 42.910 3.394 -3.147 142 HZ1 LYS 13 HZ1 LYS 13 44.460 1.638 -4.909 143 HZ2 LYS 13 HZ2 LYS 13 42.862 1.991 -5.367 144 HZ3 LYS 13 HZ3 LYS 13 43.178 1.270 -3.861 145 H GLY 14 HN GLY 14 43.473 7.925 -0.504 146 HA2 GLY 14 HA1 GLY 14 40.512 7.836 -0.917 147 HA3 GLY 14 HA2 GLY 14 41.376 7.628 0.617 148 H VAL 15 HN VAL 15 43.116 9.860 0.502 149 HA VAL 15 HA VAL 15 41.081 12.064 0.844 150 HB VAL 15 HB VAL 15 42.886 13.122 2.297 151 HG11 VAL 15 HG11 VAL 15 40.977 11.983 3.303 152 HG12 VAL 15 HG12 VAL 15 42.445 11.550 4.214 153 HG13 VAL 15 HG13 VAL 15 41.745 10.397 3.053 154 HG21 VAL 15 HG21 VAL 15 44.104 10.341 1.956 155 HG22 VAL 15 HG22 VAL 15 44.597 11.515 3.198 156 HG23 VAL 15 HG23 VAL 15 44.834 11.890 1.477 157 H LYS 16 HN LYS 16 44.388 11.381 -0.424 158 HA LYS 16 HA LYS 16 44.772 14.058 -1.428 159 HB2 LYS 16 HB2 LYS 16 46.010 11.380 -2.163 160 HB3 LYS 16 HB1 LYS 16 46.488 12.899 -2.950 161 HG2 LYS 16 HG2 LYS 16 47.000 13.858 -0.676 162 HG3 LYS 16 HG1 LYS 16 46.640 12.269 0.028 163 HD2 LYS 16 HD2 LYS 16 48.978 12.161 -0.219 164 HD3 LYS 16 HD1 LYS 16 48.415 11.362 -1.701 165 HE2 LYS 16 HE2 LYS 16 48.768 13.400 -2.999 166 HE3 LYS 16 HE1 LYS 16 49.129 14.328 -1.524 167 HZ1 LYS 16 HZ1 LYS 16 51.093 13.508 -2.854 168 HZ2 LYS 16 HZ2 LYS 16 50.697 11.941 -2.330 169 HZ3 LYS 16 HZ3 LYS 16 51.110 13.139 -1.199 170 H ILE 17 HN ILE 17 42.996 11.284 -2.596 171 HA ILE 17 HA ILE 17 42.926 11.692 -5.349 172 HB ILE 17 HB ILE 17 41.744 9.839 -4.309 173 HG12 ILE 17 HG12 ILE 17 39.705 11.638 -5.706 174 HG13 ILE 17 HG11 ILE 17 40.981 10.726 -6.547 175 HG21 ILE 17 HG21 ILE 17 39.907 10.027 -2.848 176 HG22 ILE 17 HG22 ILE 17 39.518 11.680 -3.367 177 HG23 ILE 17 HG23 ILE 17 40.931 11.384 -2.331 178 HD11 ILE 17 HD1 ILE 17 38.717 9.590 -4.855 179 HD12 ILE 17 HD2 ILE 17 40.078 8.620 -5.466 180 HD13 ILE 17 HD3 ILE 17 38.954 9.396 -6.607 181 H ILE 18 HN ILE 18 40.569 13.148 -3.042 182 HA ILE 18 HA ILE 18 40.711 15.735 -4.288 183 HB ILE 18 HB ILE 18 39.458 14.286 -6.062 184 HG12 ILE 18 HG12 ILE 18 38.100 16.800 -4.981 185 HG13 ILE 18 HG11 ILE 18 39.520 16.777 -6.052 186 HG21 ILE 18 HG21 ILE 18 37.209 13.682 -5.714 187 HG22 ILE 18 HG22 ILE 18 37.021 14.769 -4.319 188 HG23 ILE 18 HG23 ILE 18 37.964 13.271 -4.158 189 HD11 ILE 18 HD1 ILE 18 37.616 17.089 -7.479 190 HD12 ILE 18 HD2 ILE 18 36.703 15.800 -6.660 191 HD13 ILE 18 HD3 ILE 18 38.105 15.389 -7.679 192 H GLY 19 HN GLY 19 40.589 14.187 -1.717 193 HA2 GLY 19 HA1 GLY 19 38.308 14.381 -0.225 194 HA3 GLY 19 HA2 GLY 19 39.904 14.810 0.419 195 H GLY 20 HN GLY 20 36.838 15.952 -0.776 196 HA2 GLY 20 HA1 GLY 20 37.188 18.643 -1.229 197 HA3 GLY 20 HA2 GLY 20 35.794 17.989 -0.351 198 H ALA 21 HN ALA 21 37.785 16.973 1.752 199 HA ALA 21 HA ALA 21 37.514 19.262 3.508 200 HB1 ALA 21 HB1 ALA 21 37.449 17.033 4.429 201 HB2 ALA 21 HB2 ALA 21 38.897 17.851 5.063 202 HB3 ALA 21 HB3 ALA 21 39.051 16.655 3.753 203 H ALA 22 HN ALA 22 40.354 17.615 2.047 204 HA ALA 22 HA ALA 22 42.195 19.662 2.975 205 HB1 ALA 22 HB1 ALA 22 43.812 18.518 1.503 206 HB2 ALA 22 HB2 ALA 22 42.488 17.555 0.805 207 HB3 ALA 22 HB3 ALA 22 42.922 17.362 2.521 208 H LEU 23 HN LEU 23 40.568 18.926 -0.122 209 HA LEU 23 HA LEU 23 41.809 20.816 -1.772 210 HB2 LEU 23 HB2 LEU 23 39.965 19.096 -2.325 211 HB3 LEU 23 HB1 LEU 23 38.812 20.331 -1.779 212 HG LEU 23 HG LEU 23 40.153 21.917 -3.456 213 HD11 LEU 23 HD11 LEU 23 40.918 20.630 -5.473 214 HD12 LEU 23 HD12 LEU 23 40.740 19.123 -4.545 215 HD13 LEU 23 HD13 LEU 23 41.937 20.340 -4.047 216 HD21 LEU 23 HD21 LEU 23 38.240 19.733 -4.401 217 HD22 LEU 23 HD22 LEU 23 38.610 21.230 -5.291 218 HD23 LEU 23 HD23 LEU 23 37.780 21.312 -3.718 219 H ASP 24 HN ASP 24 39.694 21.326 0.941 220 HA ASP 24 HA ASP 24 40.175 24.204 0.829 221 HB2 ASP 24 HB2 ASP 24 38.301 23.964 -0.808 222 HB3 ASP 24 HB1 ASP 24 37.313 23.227 0.476 223 H HIS 25 HN HIS 25 41.097 22.934 2.801 224 HA HIS 25 HA HIS 25 39.238 22.170 4.880 225 HB2 HIS 25 HB2 HIS 25 41.238 22.206 6.341 226 HB3 HIS 25 HB1 HIS 25 41.552 21.340 4.817 227 HD1 HIS 25 HD1 HIS 25 42.056 24.804 6.392 228 HD2 HIS 25 HD2 HIS 25 43.635 22.413 3.314 229 HE1 HIS 25 HE1 HIS 25 44.117 26.004 5.478 230 H LEU 26 HN LEU 26 38.998 23.228 6.971 231 HA LEU 26 HA LEU 26 38.338 26.056 6.605 232 HB2 LEU 26 HB2 LEU 26 38.166 24.090 8.915 233 HB3 LEU 26 HB1 LEU 26 37.807 25.819 9.143 234 HG LEU 26 HG LEU 26 36.085 25.707 7.372 235 HD11 LEU 26 HD11 LEU 26 37.046 22.826 7.183 236 HD12 LEU 26 HD12 LEU 26 36.853 24.022 5.878 237 HD13 LEU 26 HD13 LEU 26 35.419 23.303 6.640 238 HD21 LEU 26 HD21 LEU 26 35.772 23.478 9.434 239 HD22 LEU 26 HD22 LEU 26 34.455 24.349 8.612 240 HD23 LEU 26 HD23 LEU 26 35.511 25.208 9.759 Start of MODEL 39 1 H1 GLY 1 HT1 GLY 1 56.486 1.949 -7.808 2 H2 GLY 1 HT2 GLY 1 55.646 3.326 -8.345 3 H3 GLY 1 HT3 GLY 1 54.793 1.926 -7.898 4 HA2 GLY 1 HA1 GLY 1 55.023 3.958 -6.318 5 HA3 GLY 1 HA2 GLY 1 54.980 2.286 -5.727 6 H ARG 2 HN ARG 2 56.087 3.215 -3.851 7 HA ARG 2 HA ARG 2 58.018 3.427 -2.596 8 HB2 ARG 2 HB2 ARG 2 58.621 1.368 -4.089 9 HB3 ARG 2 HB1 ARG 2 59.661 2.502 -4.980 10 HG2 ARG 2 HG2 ARG 2 60.852 3.074 -2.890 11 HG3 ARG 2 HG1 ARG 2 59.791 1.976 -1.974 12 HD2 ARG 2 HD2 ARG 2 60.628 0.049 -3.176 13 HD3 ARG 2 HD1 ARG 2 61.527 1.082 -4.313 14 HE ARG 2 HE ARG 2 62.373 1.593 -1.598 15 HH11 ARG 2 HH11 ARG 2 64.325 1.412 -3.781 16 HH12 ARG 2 HH12 ARG 2 65.091 -0.117 -3.506 17 HH21 ARG 2 HH21 ARG 2 62.591 -1.288 -1.408 18 HH22 ARG 2 HH22 ARG 2 64.108 -1.646 -2.162 19 H ARG 3 HN ARG 3 57.327 5.194 -5.314 20 HA ARG 3 HA ARG 3 59.623 6.706 -5.884 21 HB2 ARG 3 HB2 ARG 3 57.415 6.909 -7.042 22 HB3 ARG 3 HB1 ARG 3 56.773 7.751 -5.616 23 HG2 ARG 3 HG2 ARG 3 57.447 9.390 -7.312 24 HG3 ARG 3 HG1 ARG 3 58.513 9.523 -5.899 25 HD2 ARG 3 HD2 ARG 3 59.372 7.684 -8.141 26 HD3 ARG 3 HD1 ARG 3 59.517 9.440 -8.389 27 HE ARG 3 HE ARG 3 60.643 8.918 -5.859 28 HH11 ARG 3 HH11 ARG 3 62.752 8.069 -5.580 29 HH12 ARG 3 HH12 ARG 3 63.737 7.817 -6.982 30 HH21 ARG 3 HH21 ARG 3 61.201 8.569 -9.225 31 HH22 ARG 3 HH22 ARG 3 62.858 8.102 -9.045 32 H LYS 4 HN LYS 4 57.713 6.549 -3.005 33 HA LYS 4 HA LYS 4 59.531 8.520 -1.692 34 HB2 LYS 4 HB2 LYS 4 56.489 8.664 -1.593 35 HB3 LYS 4 HB1 LYS 4 57.595 9.605 -0.565 36 HG2 LYS 4 HG2 LYS 4 58.656 10.505 -2.690 37 HG3 LYS 4 HG1 LYS 4 57.338 9.726 -3.598 38 HD2 LYS 4 HD2 LYS 4 55.688 11.003 -2.184 39 HD3 LYS 4 HD1 LYS 4 57.059 11.870 -1.450 40 HE2 LYS 4 HE2 LYS 4 57.726 12.760 -3.623 41 HE3 LYS 4 HE1 LYS 4 56.476 11.792 -4.441 42 HZ1 LYS 4 HZ1 LYS 4 54.921 13.279 -3.925 43 HZ2 LYS 4 HZ2 LYS 4 56.180 14.335 -3.494 44 HZ3 LYS 4 HZ3 LYS 4 55.417 13.388 -2.307 45 H ARG 5 HN ARG 5 58.929 8.529 0.776 46 HA ARG 5 HA ARG 5 59.252 5.780 1.640 47 HB2 ARG 5 HB2 ARG 5 58.672 8.283 3.275 48 HB3 ARG 5 HB1 ARG 5 59.288 6.734 3.902 49 HG2 ARG 5 HG2 ARG 5 61.303 6.949 2.485 50 HG3 ARG 5 HG1 ARG 5 60.688 8.488 1.835 51 HD2 ARG 5 HD2 ARG 5 60.788 9.526 4.033 52 HD3 ARG 5 HD1 ARG 5 61.203 7.972 4.796 53 HE ARG 5 HE ARG 5 63.159 8.532 2.795 54 HH11 ARG 5 HH11 ARG 5 61.910 9.963 5.666 55 HH12 ARG 5 HH12 ARG 5 63.456 10.503 6.231 56 HH21 ARG 5 HH21 ARG 5 65.206 9.113 3.580 57 HH22 ARG 5 HH22 ARG 5 65.321 10.021 5.050 58 H LYS 6 HN LYS 6 56.809 8.155 2.781 59 HA LYS 6 HA LYS 6 54.671 6.099 2.411 60 HB2 LYS 6 HB2 LYS 6 55.075 7.502 5.078 61 HB3 LYS 6 HB1 LYS 6 53.946 6.181 4.689 62 HG2 LYS 6 HG2 LYS 6 55.957 4.735 4.148 63 HG3 LYS 6 HG1 LYS 6 56.989 6.039 4.784 64 HD2 LYS 6 HD2 LYS 6 55.824 5.902 6.966 65 HD3 LYS 6 HD1 LYS 6 54.789 4.599 6.332 66 HE2 LYS 6 HE2 LYS 6 57.830 4.445 6.398 67 HE3 LYS 6 HE1 LYS 6 56.786 3.799 7.687 68 HZ1 LYS 6 HZ1 LYS 6 55.729 2.868 5.309 69 HZ2 LYS 6 HZ2 LYS 6 56.600 1.974 6.463 70 HZ3 LYS 6 HZ3 LYS 6 57.407 2.680 5.146 71 H TRP 7 HN TRP 7 54.307 7.762 0.699 72 HA TRP 7 HA TRP 7 52.168 9.515 1.541 73 HB2 TRP 7 HB2 TRP 7 54.185 10.837 2.298 74 HB3 TRP 7 HB1 TRP 7 54.701 10.916 0.598 75 HD1 TRP 7 HD1 TRP 7 53.729 12.813 -0.798 76 HE1 TRP 7 HE1 TRP 7 51.822 14.561 -0.535 77 HE3 TRP 7 HE3 TRP 7 51.631 11.072 3.536 78 HZ2 TRP 7 HZ2 TRP 7 49.687 15.101 1.322 79 HZ3 TRP 7 HZ3 TRP 7 49.660 12.219 4.535 80 HH2 TRP 7 HH2 TRP 7 48.688 14.230 3.432 81 H LEU 8 HN LEU 8 53.659 7.583 -0.565 82 HA LEU 8 HA LEU 8 53.588 8.759 -3.098 83 HB2 LEU 8 HB2 LEU 8 52.423 5.988 -2.920 84 HB3 LEU 8 HB1 LEU 8 53.747 6.607 -3.930 85 HG LEU 8 HG LEU 8 55.015 6.810 -1.576 86 HD11 LEU 8 HD11 LEU 8 52.750 6.021 -0.447 87 HD12 LEU 8 HD12 LEU 8 54.292 5.359 0.143 88 HD13 LEU 8 HD13 LEU 8 53.270 4.398 -0.952 89 HD21 LEU 8 HD21 LEU 8 55.845 5.388 -3.345 90 HD22 LEU 8 HD22 LEU 8 54.514 4.229 -3.121 91 HD23 LEU 8 HD23 LEU 8 55.770 4.396 -1.870 92 H ARG 9 HN ARG 9 50.899 6.638 -2.032 93 HA ARG 9 HA ARG 9 48.864 8.636 -2.398 94 HB2 ARG 9 HB2 ARG 9 47.913 8.108 -4.494 95 HB3 ARG 9 HB1 ARG 9 49.655 8.197 -4.823 96 HG2 ARG 9 HG2 ARG 9 47.980 5.667 -4.457 97 HG3 ARG 9 HG1 ARG 9 48.770 6.234 -5.942 98 HD2 ARG 9 HD2 ARG 9 50.980 6.079 -4.732 99 HD3 ARG 9 HD1 ARG 9 50.126 5.272 -3.393 100 HE ARG 9 HE ARG 9 50.827 4.064 -5.946 101 HH11 ARG 9 HH11 ARG 9 49.003 2.653 -6.746 102 HH12 ARG 9 HH12 ARG 9 48.252 1.691 -5.516 103 HH21 ARG 9 HH21 ARG 9 49.657 3.475 -2.894 104 HH22 ARG 9 HH22 ARG 9 48.622 2.158 -3.334 105 H ARG 10 HN ARG 10 49.971 6.102 -0.912 106 HA ARG 10 HA ARG 10 48.199 3.968 -0.954 107 HB2 ARG 10 HB2 ARG 10 48.424 4.178 1.725 108 HB3 ARG 10 HB1 ARG 10 49.812 3.721 0.712 109 HG2 ARG 10 HG2 ARG 10 50.791 5.863 0.837 110 HG3 ARG 10 HG1 ARG 10 49.271 6.656 1.292 111 HD2 ARG 10 HD2 ARG 10 50.819 6.476 3.225 112 HD3 ARG 10 HD1 ARG 10 49.333 5.535 3.496 113 HE ARG 10 HE ARG 10 51.319 3.837 2.312 114 HH11 ARG 10 HH11 ARG 10 51.690 2.089 3.791 115 HH12 ARG 10 HH12 ARG 10 52.019 2.488 5.444 116 HH21 ARG 10 HH21 ARG 10 51.252 5.848 5.064 117 HH22 ARG 10 HH22 ARG 10 51.770 4.616 6.164 118 H ILE 11 HN ILE 11 47.630 6.232 1.710 119 HA ILE 11 HA ILE 11 44.728 5.889 1.393 120 HB ILE 11 HB ILE 11 45.746 6.045 3.654 121 HG12 ILE 11 HG12 ILE 11 44.107 8.575 3.165 122 HG13 ILE 11 HG11 ILE 11 43.382 6.957 3.060 123 HG21 ILE 11 HG21 ILE 11 47.595 7.610 2.907 124 HG22 ILE 11 HG22 ILE 11 46.810 8.081 4.431 125 HG23 ILE 11 HG23 ILE 11 46.407 8.932 2.921 126 HD11 ILE 11 HD1 ILE 11 44.266 6.513 5.405 127 HD12 ILE 11 HD2 ILE 11 43.010 7.768 5.299 128 HD13 ILE 11 HD3 ILE 11 44.715 8.234 5.483 129 H GLY 12 HN GLY 12 47.159 7.864 0.048 130 HA2 GLY 12 HA1 GLY 12 45.817 10.387 -0.091 131 HA3 GLY 12 HA2 GLY 12 47.036 9.794 -1.243 132 H LYS 13 HN LYS 13 45.755 7.540 -2.220 133 HA LYS 13 HA LYS 13 44.200 8.502 -4.332 134 HB2 LYS 13 HB2 LYS 13 45.065 6.211 -4.241 135 HB3 LYS 13 HB1 LYS 13 43.984 5.835 -2.879 136 HG2 LYS 13 HG2 LYS 13 42.020 6.082 -4.261 137 HG3 LYS 13 HG1 LYS 13 42.975 6.770 -5.597 138 HD2 LYS 13 HD2 LYS 13 42.400 4.367 -5.978 139 HD3 LYS 13 HD1 LYS 13 44.155 4.638 -5.897 140 HE2 LYS 13 HE2 LYS 13 44.332 3.668 -3.745 141 HE3 LYS 13 HE1 LYS 13 42.597 3.880 -3.399 142 HZ1 LYS 13 HZ1 LYS 13 42.737 2.324 -5.678 143 HZ2 LYS 13 HZ2 LYS 13 42.321 1.814 -4.112 144 HZ3 LYS 13 HZ3 LYS 13 43.929 1.699 -4.647 145 H GLY 14 HN GLY 14 43.389 8.244 -1.000 146 HA2 GLY 14 HA1 GLY 14 40.451 8.382 -1.519 147 HA3 GLY 14 HA2 GLY 14 41.245 8.102 0.041 148 H VAL 15 HN VAL 15 43.096 10.214 0.126 149 HA VAL 15 HA VAL 15 41.178 12.527 0.384 150 HB VAL 15 HB VAL 15 42.964 13.484 1.907 151 HG11 VAL 15 HG11 VAL 15 40.995 12.361 2.826 152 HG12 VAL 15 HG12 VAL 15 42.425 11.913 3.786 153 HG13 VAL 15 HG13 VAL 15 41.756 10.770 2.597 154 HG21 VAL 15 HG21 VAL 15 44.122 10.685 1.538 155 HG22 VAL 15 HG22 VAL 15 44.608 11.813 2.822 156 HG23 VAL 15 HG23 VAL 15 44.909 12.224 1.118 157 H LYS 16 HN LYS 16 44.437 11.630 -0.794 158 HA LYS 16 HA LYS 16 45.138 14.239 -1.729 159 HB2 LYS 16 HB2 LYS 16 46.642 12.185 -1.463 160 HB3 LYS 16 HB1 LYS 16 45.989 11.622 -3.020 161 HG2 LYS 16 HG2 LYS 16 46.679 13.837 -4.029 162 HG3 LYS 16 HG1 LYS 16 47.484 14.232 -2.495 163 HD2 LYS 16 HD2 LYS 16 48.120 11.664 -4.009 164 HD3 LYS 16 HD1 LYS 16 48.934 13.196 -4.394 165 HE2 LYS 16 HE2 LYS 16 48.928 11.778 -1.690 166 HE3 LYS 16 HE1 LYS 16 50.301 11.939 -2.805 167 HZ1 LYS 16 HZ1 LYS 16 50.515 13.598 -1.141 168 HZ2 LYS 16 HZ2 LYS 16 48.909 14.116 -1.334 169 HZ3 LYS 16 HZ3 LYS 16 50.046 14.391 -2.565 170 H ILE 17 HN ILE 17 43.182 11.638 -3.116 171 HA ILE 17 HA ILE 17 43.123 12.581 -5.807 172 HB ILE 17 HB ILE 17 42.244 10.352 -4.975 173 HG12 ILE 17 HG12 ILE 17 40.386 12.098 -6.654 174 HG13 ILE 17 HG11 ILE 17 41.768 11.152 -7.249 175 HG21 ILE 17 HG21 ILE 17 40.094 10.185 -3.961 176 HG22 ILE 17 HG22 ILE 17 39.704 11.887 -4.306 177 HG23 ILE 17 HG23 ILE 17 40.919 11.483 -3.069 178 HD11 ILE 17 HD1 ILE 17 40.570 9.092 -6.220 179 HD12 ILE 17 HD2 ILE 17 39.872 9.787 -7.702 180 HD13 ILE 17 HD3 ILE 17 39.133 10.139 -6.123 181 H ILE 18 HN ILE 18 41.030 13.313 -2.997 182 HA ILE 18 HA ILE 18 40.225 15.869 -4.345 183 HB ILE 18 HB ILE 18 38.317 13.800 -3.153 184 HG12 ILE 18 HG12 ILE 18 38.215 15.296 -5.815 185 HG13 ILE 18 HG11 ILE 18 39.023 13.729 -5.630 186 HG21 ILE 18 HG21 ILE 18 37.927 16.769 -3.727 187 HG22 ILE 18 HG22 ILE 18 37.588 15.891 -2.216 188 HG23 ILE 18 HG23 ILE 18 36.562 15.634 -3.640 189 HD11 ILE 18 HD1 ILE 18 36.072 14.377 -5.530 190 HD12 ILE 18 HD2 ILE 18 36.666 13.007 -4.563 191 HD13 ILE 18 HD3 ILE 18 36.904 13.025 -6.322 192 H GLY 19 HN GLY 19 39.476 13.999 -1.361 193 HA2 GLY 19 HA1 GLY 19 39.972 14.519 0.855 194 HA3 GLY 19 HA2 GLY 19 40.973 15.874 0.300 195 H GLY 20 HN GLY 20 37.500 15.079 -0.135 196 HA2 GLY 20 HA1 GLY 20 36.366 16.778 1.733 197 HA3 GLY 20 HA2 GLY 20 36.758 17.852 0.375 198 H ALA 21 HN ALA 21 34.163 17.622 1.124 199 HA ALA 21 HA ALA 21 32.054 17.045 0.344 200 HB1 ALA 21 HB1 ALA 21 31.882 16.806 -2.146 201 HB2 ALA 21 HB2 ALA 21 33.660 16.813 -2.222 202 HB3 ALA 21 HB3 ALA 21 32.790 18.244 -1.621 203 H ALA 22 HN ALA 22 33.599 14.985 -2.076 204 HA ALA 22 HA ALA 22 31.957 12.743 -1.501 205 HB1 ALA 22 HB1 ALA 22 34.745 12.727 -2.707 206 HB2 ALA 22 HB2 ALA 22 33.251 13.099 -3.600 207 HB3 ALA 22 HB3 ALA 22 33.491 11.480 -2.902 208 H LEU 23 HN LEU 23 34.789 13.961 0.083 209 HA LEU 23 HA LEU 23 35.852 11.603 1.223 210 HB2 LEU 23 HB2 LEU 23 36.965 13.767 1.414 211 HB3 LEU 23 HB1 LEU 23 35.615 14.418 2.365 212 HG LEU 23 HG LEU 23 36.106 12.866 4.203 213 HD11 LEU 23 HD11 LEU 23 38.110 11.737 2.212 214 HD12 LEU 23 HD12 LEU 23 36.897 10.870 3.186 215 HD13 LEU 23 HD13 LEU 23 38.350 11.532 3.963 216 HD21 LEU 23 HD21 LEU 23 38.617 14.242 3.152 217 HD22 LEU 23 HD22 LEU 23 38.332 13.745 4.837 218 HD23 LEU 23 HD23 LEU 23 37.327 15.017 4.102 219 H ASP 24 HN ASP 24 32.806 13.134 1.703 220 HA ASP 24 HA ASP 24 32.080 11.089 3.717 221 HB2 ASP 24 HB2 ASP 24 33.004 12.958 5.086 222 HB3 ASP 24 HB1 ASP 24 31.814 14.057 4.346 223 H HIS 25 HN HIS 25 31.087 10.856 1.366 224 HA HIS 25 HA HIS 25 28.773 12.575 0.854 225 HB2 HIS 25 HB2 HIS 25 30.101 11.373 -0.926 226 HB3 HIS 25 HB1 HIS 25 29.413 9.845 -0.327 227 HD1 HIS 25 HD1 HIS 25 27.176 12.820 -0.140 228 HD2 HIS 25 HD2 HIS 25 27.944 9.689 -2.843 229 HE1 HIS 25 HE1 HIS 25 25.261 12.788 -1.831 230 H LEU 26 HN LEU 26 28.841 11.371 3.499 231 HA LEU 26 HA LEU 26 27.468 10.176 4.943 232 HB2 LEU 26 HB2 LEU 26 25.255 10.576 2.902 233 HB3 LEU 26 HB1 LEU 26 25.142 10.554 4.679 234 HG LEU 26 HG LEU 26 26.494 12.686 2.966 235 HD11 LEU 26 HD11 LEU 26 23.973 12.688 3.075 236 HD12 LEU 26 HD12 LEU 26 24.716 14.137 3.792 237 HD13 LEU 26 HD13 LEU 26 24.094 12.843 4.843 238 HD21 LEU 26 HD21 LEU 26 26.677 13.849 5.269 239 HD22 LEU 26 HD22 LEU 26 27.806 12.509 4.964 240 HD23 LEU 26 HD23 LEU 26 26.368 12.246 5.980 Start of MODEL 40 1 H1 GLY 1 HT1 GLY 1 57.486 -0.908 -0.813 2 H2 GLY 1 HT2 GLY 1 55.821 -0.750 -1.121 3 H3 GLY 1 HT3 GLY 1 56.442 -2.206 -0.501 4 HA2 GLY 1 HA1 GLY 1 55.364 -1.038 1.225 5 HA3 GLY 1 HA2 GLY 1 57.116 -1.075 1.505 6 H ARG 2 HN ARG 2 57.822 0.767 2.327 7 HA ARG 2 HA ARG 2 56.380 3.210 2.281 8 HB2 ARG 2 HB2 ARG 2 58.576 4.248 2.938 9 HB3 ARG 2 HB1 ARG 2 58.124 2.832 3.917 10 HG2 ARG 2 HG2 ARG 2 59.564 1.401 2.448 11 HG3 ARG 2 HG1 ARG 2 60.074 2.863 1.571 12 HD2 ARG 2 HD2 ARG 2 60.388 2.533 4.580 13 HD3 ARG 2 HD1 ARG 2 61.662 2.106 3.412 14 HE ARG 2 HE ARG 2 60.711 4.807 2.970 15 HH11 ARG 2 HH11 ARG 2 61.581 6.466 4.377 16 HH12 ARG 2 HH12 ARG 2 63.113 6.146 5.118 17 HH21 ARG 2 HH21 ARG 2 63.163 2.805 4.190 18 HH22 ARG 2 HH22 ARG 2 64.008 4.073 5.013 19 H ARG 3 HN ARG 3 58.808 1.880 0.066 20 HA ARG 3 HA ARG 3 59.651 2.706 -1.938 21 HB2 ARG 3 HB2 ARG 3 56.765 3.659 -2.073 22 HB3 ARG 3 HB1 ARG 3 57.888 3.678 -3.453 23 HG2 ARG 3 HG2 ARG 3 58.197 1.247 -3.279 24 HG3 ARG 3 HG1 ARG 3 57.156 1.197 -1.837 25 HD2 ARG 3 HD2 ARG 3 55.872 0.534 -3.830 26 HD3 ARG 3 HD1 ARG 3 55.263 2.082 -3.193 27 HE ARG 3 HE ARG 3 57.294 2.499 -5.224 28 HH11 ARG 3 HH11 ARG 3 55.214 4.385 -5.342 29 HH12 ARG 3 HH12 ARG 3 54.121 3.806 -6.554 30 HH21 ARG 3 HH21 ARG 3 55.363 0.569 -6.503 31 HH22 ARG 3 HH22 ARG 3 54.206 1.645 -7.213 32 H LYS 4 HN LYS 4 57.410 5.373 -2.005 33 HA LYS 4 HA LYS 4 59.717 7.273 -1.771 34 HB2 LYS 4 HB2 LYS 4 56.885 7.993 -2.598 35 HB3 LYS 4 HB1 LYS 4 58.419 8.790 -3.030 36 HG2 LYS 4 HG2 LYS 4 59.067 6.693 -4.282 37 HG3 LYS 4 HG1 LYS 4 57.430 6.066 -3.970 38 HD2 LYS 4 HD2 LYS 4 56.472 8.077 -5.098 39 HD3 LYS 4 HD1 LYS 4 58.123 8.629 -5.473 40 HE2 LYS 4 HE2 LYS 4 58.519 6.492 -6.713 41 HE3 LYS 4 HE1 LYS 4 56.829 6.028 -6.403 42 HZ1 LYS 4 HZ1 LYS 4 56.081 7.448 -7.945 43 HZ2 LYS 4 HZ2 LYS 4 57.669 7.416 -8.549 44 HZ3 LYS 4 HZ3 LYS 4 57.173 8.676 -7.522 45 H ARG 5 HN ARG 5 58.701 5.989 0.609 46 HA ARG 5 HA ARG 5 57.975 6.537 2.741 47 HB2 ARG 5 HB2 ARG 5 58.773 9.289 1.719 48 HB3 ARG 5 HB1 ARG 5 58.235 9.001 3.390 49 HG2 ARG 5 HG2 ARG 5 60.038 7.284 3.638 50 HG3 ARG 5 HG1 ARG 5 60.606 7.680 1.998 51 HD2 ARG 5 HD2 ARG 5 61.964 8.953 3.532 52 HD3 ARG 5 HD1 ARG 5 60.830 10.097 2.778 53 HE ARG 5 HE ARG 5 59.650 9.098 5.184 54 HH11 ARG 5 HH11 ARG 5 61.435 9.488 7.030 55 HH12 ARG 5 HH12 ARG 5 61.839 11.168 7.135 56 HH21 ARG 5 HH21 ARG 5 60.520 11.953 4.026 57 HH22 ARG 5 HH22 ARG 5 61.322 12.564 5.435 58 H LYS 6 HN LYS 6 56.250 7.614 4.015 59 HA LYS 6 HA LYS 6 53.740 7.345 2.813 60 HB2 LYS 6 HB2 LYS 6 54.701 8.951 5.201 61 HB3 LYS 6 HB1 LYS 6 52.988 8.983 4.722 62 HG2 LYS 6 HG2 LYS 6 53.402 7.245 6.434 63 HG3 LYS 6 HG1 LYS 6 52.884 6.516 4.896 64 HD2 LYS 6 HD2 LYS 6 55.109 5.818 4.354 65 HD3 LYS 6 HD1 LYS 6 55.822 6.843 5.624 66 HE2 LYS 6 HE2 LYS 6 54.013 4.429 6.082 67 HE3 LYS 6 HE1 LYS 6 55.775 4.471 6.326 68 HZ1 LYS 6 HZ1 LYS 6 53.712 6.032 7.794 69 HZ2 LYS 6 HZ2 LYS 6 55.381 6.318 7.929 70 HZ3 LYS 6 HZ3 LYS 6 54.729 4.828 8.418 71 H TRP 7 HN TRP 7 53.759 8.279 0.736 72 HA TRP 7 HA TRP 7 52.667 10.939 0.639 73 HB2 TRP 7 HB2 TRP 7 55.627 10.620 0.168 74 HB3 TRP 7 HB1 TRP 7 54.750 11.684 -0.953 75 HD1 TRP 7 HD1 TRP 7 53.057 13.520 0.429 76 HE1 TRP 7 HE1 TRP 7 53.683 15.020 2.458 77 HE3 TRP 7 HE3 TRP 7 57.095 10.894 2.159 78 HZ2 TRP 7 HZ2 TRP 7 55.678 15.046 4.536 79 HZ3 TRP 7 HZ3 TRP 7 58.345 11.674 4.165 80 HH2 TRP 7 HH2 TRP 7 57.640 13.746 5.355 81 H LEU 8 HN LEU 8 53.814 7.989 -0.756 82 HA LEU 8 HA LEU 8 53.493 8.408 -3.510 83 HB2 LEU 8 HB2 LEU 8 52.535 5.940 -3.439 84 HB3 LEU 8 HB1 LEU 8 54.223 6.249 -2.984 85 HG LEU 8 HG LEU 8 52.238 6.487 -0.732 86 HD11 LEU 8 HD11 LEU 8 51.283 4.543 -1.874 87 HD12 LEU 8 HD12 LEU 8 52.140 4.014 -0.407 88 HD13 LEU 8 HD13 LEU 8 52.892 3.794 -2.004 89 HD21 LEU 8 HD21 LEU 8 54.755 4.780 -0.790 90 HD22 LEU 8 HD22 LEU 8 54.027 5.665 0.573 91 HD23 LEU 8 HD23 LEU 8 54.880 6.551 -0.712 92 H ARG 9 HN ARG 9 50.936 6.369 -2.279 93 HA ARG 9 HA ARG 9 48.808 8.306 -2.404 94 HB2 ARG 9 HB2 ARG 9 47.788 7.318 -4.586 95 HB3 ARG 9 HB1 ARG 9 49.091 8.518 -4.737 96 HG2 ARG 9 HG2 ARG 9 49.478 6.617 -6.261 97 HG3 ARG 9 HG1 ARG 9 50.749 6.689 -5.022 98 HD2 ARG 9 HD2 ARG 9 49.899 4.809 -3.865 99 HD3 ARG 9 HD1 ARG 9 48.282 4.967 -4.599 100 HE ARG 9 HE ARG 9 50.145 4.473 -6.692 101 HH11 ARG 9 HH11 ARG 9 51.539 2.413 -5.951 102 HH12 ARG 9 HH12 ARG 9 50.505 1.054 -5.660 103 HH21 ARG 9 HH21 ARG 9 47.620 2.963 -5.431 104 HH22 ARG 9 HH22 ARG 9 48.286 1.365 -5.368 105 H ARG 10 HN ARG 10 49.912 5.798 -1.038 106 HA ARG 10 HA ARG 10 48.326 3.542 -1.368 107 HB2 ARG 10 HB2 ARG 10 48.377 3.565 1.329 108 HB3 ARG 10 HB1 ARG 10 49.850 3.281 0.374 109 HG2 ARG 10 HG2 ARG 10 50.629 5.501 0.671 110 HG3 ARG 10 HG1 ARG 10 49.036 6.101 1.173 111 HD2 ARG 10 HD2 ARG 10 49.178 4.804 3.262 112 HD3 ARG 10 HD1 ARG 10 50.742 4.125 2.750 113 HE ARG 10 HE ARG 10 51.714 6.108 3.554 114 HH11 ARG 10 HH11 ARG 10 50.397 7.769 1.392 115 HH12 ARG 10 HH12 ARG 10 49.547 8.950 2.333 116 HH21 ARG 10 HH21 ARG 10 49.782 7.154 5.289 117 HH22 ARG 10 HH22 ARG 10 49.200 8.602 4.538 118 H ILE 11 HN ILE 11 47.413 5.447 1.454 119 HA ILE 11 HA ILE 11 44.560 4.990 0.836 120 HB ILE 11 HB ILE 11 45.405 4.738 3.160 121 HG12 ILE 11 HG12 ILE 11 43.596 7.192 2.962 122 HG13 ILE 11 HG11 ILE 11 43.033 5.544 2.609 123 HG21 ILE 11 HG21 ILE 11 45.873 7.749 3.096 124 HG22 ILE 11 HG22 ILE 11 47.168 6.549 2.889 125 HG23 ILE 11 HG23 ILE 11 46.257 6.617 4.414 126 HD11 ILE 11 HD1 ILE 11 44.053 6.661 5.246 127 HD12 ILE 11 HD2 ILE 11 43.918 4.911 4.949 128 HD13 ILE 11 HD3 ILE 11 42.468 5.937 4.894 129 H GLY 12 HN GLY 12 46.966 7.355 0.256 130 HA2 GLY 12 HA1 GLY 12 45.524 9.777 0.455 131 HA3 GLY 12 HA2 GLY 12 46.833 9.457 -0.706 132 H LYS 13 HN LYS 13 45.645 7.389 -2.185 133 HA LYS 13 HA LYS 13 44.242 8.757 -4.176 134 HB2 LYS 13 HB2 LYS 13 45.121 6.485 -4.464 135 HB3 LYS 13 HB1 LYS 13 43.927 5.856 -3.305 136 HG2 LYS 13 HG2 LYS 13 42.093 6.376 -4.769 137 HG3 LYS 13 HG1 LYS 13 43.134 7.344 -5.840 138 HD2 LYS 13 HD2 LYS 13 42.676 5.113 -6.819 139 HD3 LYS 13 HD1 LYS 13 44.406 5.311 -6.454 140 HE2 LYS 13 HE2 LYS 13 44.292 3.893 -4.554 141 HE3 LYS 13 HE1 LYS 13 42.521 4.033 -4.439 142 HZ1 LYS 13 HZ1 LYS 13 42.400 2.875 -6.613 143 HZ2 LYS 13 HZ2 LYS 13 43.064 1.921 -5.373 144 HZ3 LYS 13 HZ3 LYS 13 44.076 2.620 -6.546 145 H GLY 14 HN GLY 14 43.180 7.911 -1.026 146 HA2 GLY 14 HA1 GLY 14 40.288 8.162 -1.755 147 HA3 GLY 14 HA2 GLY 14 40.947 7.554 -0.226 148 H VAL 15 HN VAL 15 42.795 9.604 0.403 149 HA VAL 15 HA VAL 15 40.839 11.822 1.009 150 HB VAL 15 HB VAL 15 42.505 12.422 2.822 151 HG11 VAL 15 HG11 VAL 15 40.470 11.136 3.316 152 HG12 VAL 15 HG12 VAL 15 41.826 10.526 4.295 153 HG13 VAL 15 HG13 VAL 15 41.290 9.625 2.857 154 HG21 VAL 15 HG21 VAL 15 43.701 9.747 1.963 155 HG22 VAL 15 HG22 VAL 15 44.094 10.588 3.480 156 HG23 VAL 15 HG23 VAL 15 44.505 11.335 1.920 157 H LYS 16 HN LYS 16 44.172 11.167 -0.121 158 HA LYS 16 HA LYS 16 45.041 13.843 -0.364 159 HB2 LYS 16 HB2 LYS 16 46.434 11.786 -0.722 160 HB3 LYS 16 HB1 LYS 16 45.651 11.584 -2.308 161 HG2 LYS 16 HG2 LYS 16 46.462 13.797 -3.018 162 HG3 LYS 16 HG1 LYS 16 47.194 14.060 -1.417 163 HD2 LYS 16 HD2 LYS 16 48.573 11.966 -1.798 164 HD3 LYS 16 HD1 LYS 16 47.956 11.938 -3.468 165 HE2 LYS 16 HE2 LYS 16 49.525 14.208 -2.169 166 HE3 LYS 16 HE1 LYS 16 50.138 13.075 -3.397 167 HZ1 LYS 16 HZ1 LYS 16 49.493 14.842 -4.682 168 HZ2 LYS 16 HZ2 LYS 16 48.189 15.265 -3.680 169 HZ3 LYS 16 HZ3 LYS 16 48.070 13.922 -4.712 170 H ILE 17 HN ILE 17 43.424 11.803 -2.850 171 HA ILE 17 HA ILE 17 43.177 14.053 -4.683 172 HB ILE 17 HB ILE 17 43.246 11.485 -5.219 173 HG12 ILE 17 HG12 ILE 17 41.470 11.938 -7.176 174 HG13 ILE 17 HG11 ILE 17 41.497 13.594 -6.535 175 HG21 ILE 17 HG21 ILE 17 40.234 11.753 -4.921 176 HG22 ILE 17 HG22 ILE 17 41.261 11.062 -3.642 177 HG23 ILE 17 HG23 ILE 17 41.189 10.287 -5.243 178 HD11 ILE 17 HD1 ILE 17 43.968 12.019 -7.396 179 HD12 ILE 17 HD2 ILE 17 43.930 13.719 -6.869 180 HD13 ILE 17 HD3 ILE 17 43.141 13.241 -8.388 181 H ILE 18 HN ILE 18 41.908 13.907 -1.806 182 HA ILE 18 HA ILE 18 40.015 14.793 -0.809 183 HB ILE 18 HB ILE 18 39.304 15.996 -3.517 184 HG12 ILE 18 HG12 ILE 18 41.328 16.956 -1.439 185 HG13 ILE 18 HG11 ILE 18 41.689 16.425 -3.098 186 HG21 ILE 18 HG21 ILE 18 38.998 17.157 -0.717 187 HG22 ILE 18 HG22 ILE 18 37.743 16.141 -1.468 188 HG23 ILE 18 HG23 ILE 18 38.205 17.684 -2.221 189 HD11 ILE 18 HD1 ILE 18 41.644 18.796 -3.244 190 HD12 ILE 18 HD2 ILE 18 40.217 18.922 -2.189 191 HD13 ILE 18 HD3 ILE 18 40.047 18.300 -3.850 192 H GLY 19 HN GLY 19 38.688 13.163 -0.264 193 HA2 GLY 19 HA1 GLY 19 37.271 11.591 -2.253 194 HA3 GLY 19 HA2 GLY 19 37.070 11.513 -0.493 195 H GLY 20 HN GLY 20 35.194 11.644 -2.918 196 HA2 GLY 20 HA1 GLY 20 33.176 12.649 -3.440 197 HA3 GLY 20 HA2 GLY 20 33.026 12.897 -1.690 198 H ALA 21 HN ALA 21 35.763 14.402 -3.115 199 HA ALA 21 HA ALA 21 36.286 16.661 -3.285 200 HB1 ALA 21 HB1 ALA 21 33.535 16.700 -4.580 201 HB2 ALA 21 HB2 ALA 21 35.080 16.361 -5.397 202 HB3 ALA 21 HB3 ALA 21 34.764 17.978 -4.725 203 H ALA 22 HN ALA 22 34.479 15.595 -0.999 204 HA ALA 22 HA ALA 22 34.175 18.217 0.295 205 HB1 ALA 22 HB1 ALA 22 32.049 18.011 -0.974 206 HB2 ALA 22 HB2 ALA 22 31.795 17.972 0.787 207 HB3 ALA 22 HB3 ALA 22 31.733 16.463 -0.154 208 H LEU 23 HN LEU 23 33.959 14.712 0.234 209 HA LEU 23 HA LEU 23 33.721 14.470 3.152 210 HB2 LEU 23 HB2 LEU 23 32.857 12.793 1.414 211 HB3 LEU 23 HB1 LEU 23 34.553 12.332 1.158 212 HG LEU 23 HG LEU 23 34.592 12.063 3.810 213 HD11 LEU 23 HD11 LEU 23 31.621 11.802 3.148 214 HD12 LEU 23 HD12 LEU 23 32.360 12.959 4.279 215 HD13 LEU 23 HD13 LEU 23 32.374 11.221 4.649 216 HD21 LEU 23 HD21 LEU 23 34.931 10.197 2.258 217 HD22 LEU 23 HD22 LEU 23 33.181 10.107 1.939 218 HD23 LEU 23 HD23 LEU 23 33.816 9.692 3.549 219 H ASP 24 HN ASP 24 35.743 16.158 2.858 220 HA ASP 24 HA ASP 24 37.996 14.660 3.959 221 HB2 ASP 24 HB2 ASP 24 38.441 14.273 1.579 222 HB3 ASP 24 HB1 ASP 24 38.299 16.016 1.247 223 H HIS 25 HN HIS 25 36.549 17.639 2.738 224 HA HIS 25 HA HIS 25 38.485 19.375 4.100 225 HB2 HIS 25 HB2 HIS 25 37.254 20.036 2.021 226 HB3 HIS 25 HB1 HIS 25 35.743 20.039 2.959 227 HD1 HIS 25 HD1 HIS 25 35.782 21.675 5.172 228 HD2 HIS 25 HD2 HIS 25 38.567 22.465 2.125 229 HE1 HIS 25 HE1 HIS 25 36.664 24.044 5.542 230 H LEU 26 HN LEU 26 38.542 19.172 6.276 231 HA LEU 26 HA LEU 26 36.178 18.671 7.873 232 HB2 LEU 26 HB2 LEU 26 39.016 19.563 8.487 233 HB3 LEU 26 HB1 LEU 26 37.785 19.454 9.768 234 HG LEU 26 HG LEU 26 37.416 17.086 9.272 235 HD11 LEU 26 HD11 LEU 26 39.076 15.996 7.599 236 HD12 LEU 26 HD12 LEU 26 39.337 17.644 6.977 237 HD13 LEU 26 HD13 LEU 26 37.714 16.912 6.915 238 HD21 LEU 26 HD21 LEU 26 40.382 17.787 9.462 239 HD22 LEU 26 HD22 LEU 26 39.665 16.216 9.892 240 HD23 LEU 26 HD23 LEU 26 39.245 17.672 10.826 Start of MODEL 41 1 H1 GLY 1 HT1 GLY 1 50.799 -1.804 0.197 2 H2 GLY 1 HT2 GLY 1 51.034 -0.218 0.759 3 H3 GLY 1 HT3 GLY 1 51.443 -1.542 1.743 4 HA2 GLY 1 HA1 GLY 1 53.250 -2.116 0.479 5 HA3 GLY 1 HA2 GLY 1 52.682 -1.126 -0.880 6 H ARG 2 HN ARG 2 55.071 -0.498 -0.581 7 HA ARG 2 HA ARG 2 55.084 2.168 0.550 8 HB2 ARG 2 HB2 ARG 2 55.338 0.732 2.626 9 HB3 ARG 2 HB1 ARG 2 56.884 0.159 1.953 10 HG2 ARG 2 HG2 ARG 2 57.730 2.467 1.861 11 HG3 ARG 2 HG1 ARG 2 56.171 3.079 2.465 12 HD2 ARG 2 HD2 ARG 2 57.899 2.881 4.271 13 HD3 ARG 2 HD1 ARG 2 56.464 1.870 4.573 14 HE ARG 2 HE ARG 2 58.384 0.295 3.169 15 HH11 ARG 2 HH11 ARG 2 58.017 -1.456 4.975 16 HH12 ARG 2 HH12 ARG 2 58.929 -1.105 6.405 17 HH21 ARG 2 HH21 ARG 2 59.518 2.200 5.540 18 HH22 ARG 2 HH22 ARG 2 59.779 0.965 6.725 19 H ARG 3 HN ARG 3 55.746 2.640 -1.570 20 HA ARG 3 HA ARG 3 58.382 1.528 -2.453 21 HB2 ARG 3 HB2 ARG 3 56.443 3.363 -3.916 22 HB3 ARG 3 HB1 ARG 3 57.845 2.510 -4.609 23 HG2 ARG 3 HG2 ARG 3 56.805 0.333 -4.041 24 HG3 ARG 3 HG1 ARG 3 55.400 1.184 -3.354 25 HD2 ARG 3 HD2 ARG 3 54.830 2.131 -5.513 26 HD3 ARG 3 HD1 ARG 3 56.339 1.519 -6.233 27 HE ARG 3 HE ARG 3 55.018 -0.748 -5.244 28 HH11 ARG 3 HH11 ARG 3 53.551 -1.936 -6.492 29 HH12 ARG 3 HH12 ARG 3 52.872 -1.223 -7.916 30 HH21 ARG 3 HH21 ARG 3 54.495 1.812 -7.495 31 HH22 ARG 3 HH22 ARG 3 53.406 0.897 -8.484 32 H LYS 4 HN LYS 4 56.832 4.455 -1.261 33 HA LYS 4 HA LYS 4 59.519 5.767 -1.150 34 HB2 LYS 4 HB2 LYS 4 57.108 7.346 -2.110 35 HB3 LYS 4 HB1 LYS 4 58.839 7.739 -2.253 36 HG2 LYS 4 HG2 LYS 4 59.079 5.725 -3.775 37 HG3 LYS 4 HG1 LYS 4 57.305 5.575 -3.746 38 HD2 LYS 4 HD2 LYS 4 57.168 7.973 -4.544 39 HD3 LYS 4 HD1 LYS 4 58.936 7.943 -4.754 40 HE2 LYS 4 HE2 LYS 4 58.708 6.004 -6.298 41 HE3 LYS 4 HE1 LYS 4 56.939 6.080 -6.114 42 HZ1 LYS 4 HZ1 LYS 4 57.965 7.265 -8.101 43 HZ2 LYS 4 HZ2 LYS 4 58.520 8.430 -6.995 44 HZ3 LYS 4 HZ3 LYS 4 56.854 8.146 -7.170 45 H ARG 5 HN ARG 5 58.191 4.542 0.956 46 HA ARG 5 HA ARG 5 57.445 4.969 3.106 47 HB2 ARG 5 HB2 ARG 5 58.352 7.820 2.539 48 HB3 ARG 5 HB1 ARG 5 58.093 7.084 4.136 49 HG2 ARG 5 HG2 ARG 5 59.879 5.462 3.729 50 HG3 ARG 5 HG1 ARG 5 60.092 6.072 2.070 51 HD2 ARG 5 HD2 ARG 5 60.810 8.248 2.901 52 HD3 ARG 5 HD1 ARG 5 60.450 7.768 4.578 53 HE ARG 5 HE ARG 5 62.294 5.877 3.559 54 HH11 ARG 5 HH11 ARG 5 62.032 8.878 5.111 55 HH12 ARG 5 HH12 ARG 5 63.726 9.232 5.064 56 HH21 ARG 5 HH21 ARG 5 64.517 6.482 3.104 57 HH22 ARG 5 HH22 ARG 5 65.134 7.875 3.929 58 H LYS 6 HN LYS 6 56.743 8.214 1.781 59 HA LYS 6 HA LYS 6 53.804 7.603 1.927 60 HB2 LYS 6 HB2 LYS 6 55.038 10.151 3.036 61 HB3 LYS 6 HB1 LYS 6 53.353 9.594 3.177 62 HG2 LYS 6 HG2 LYS 6 54.196 7.586 4.456 63 HG3 LYS 6 HG1 LYS 6 55.818 8.319 4.439 64 HD2 LYS 6 HD2 LYS 6 54.899 10.337 5.577 65 HD3 LYS 6 HD1 LYS 6 53.301 9.555 5.641 66 HE2 LYS 6 HE2 LYS 6 54.120 7.801 7.075 67 HE3 LYS 6 HE1 LYS 6 55.810 8.305 6.830 68 HZ1 LYS 6 HZ1 LYS 6 55.484 10.235 8.077 69 HZ2 LYS 6 HZ2 LYS 6 54.656 9.042 8.959 70 HZ3 LYS 6 HZ3 LYS 6 53.793 10.140 7.992 71 H TRP 7 HN TRP 7 52.843 10.093 1.323 72 HA TRP 7 HA TRP 7 52.556 11.611 -0.400 73 HB2 TRP 7 HB2 TRP 7 55.248 10.918 -1.610 74 HB3 TRP 7 HB1 TRP 7 54.388 12.474 -1.587 75 HD1 TRP 7 HD1 TRP 7 53.920 13.296 1.168 76 HE1 TRP 7 HE1 TRP 7 55.733 13.506 3.021 77 HE3 TRP 7 HE3 TRP 7 57.478 10.200 -0.825 78 HZ2 TRP 7 HZ2 TRP 7 58.364 12.459 3.537 79 HZ3 TRP 7 HZ3 TRP 7 59.632 9.821 0.364 80 HH2 TRP 7 HH2 TRP 7 60.078 10.946 2.541 81 H LEU 8 HN LEU 8 53.794 8.388 -1.136 82 HA LEU 8 HA LEU 8 52.990 8.398 -3.907 83 HB2 LEU 8 HB2 LEU 8 53.035 5.791 -3.482 84 HB3 LEU 8 HB1 LEU 8 54.547 6.721 -3.429 85 HG LEU 8 HG LEU 8 54.509 6.785 -1.003 86 HD11 LEU 8 HD11 LEU 8 52.649 5.489 0.202 87 HD12 LEU 8 HD12 LEU 8 51.749 5.540 -1.332 88 HD13 LEU 8 HD13 LEU 8 52.171 7.052 -0.496 89 HD21 LEU 8 HD21 LEU 8 53.708 3.974 -1.858 90 HD22 LEU 8 HD22 LEU 8 54.799 4.435 -0.530 91 HD23 LEU 8 HD23 LEU 8 55.295 4.692 -2.219 92 H ARG 9 HN ARG 9 51.027 9.007 -1.457 93 HA ARG 9 HA ARG 9 48.746 8.811 -1.149 94 HB2 ARG 9 HB2 ARG 9 48.603 7.656 -3.955 95 HB3 ARG 9 HB1 ARG 9 47.354 8.557 -3.070 96 HG2 ARG 9 HG2 ARG 9 50.041 9.691 -3.966 97 HG3 ARG 9 HG1 ARG 9 48.479 9.984 -4.762 98 HD2 ARG 9 HD2 ARG 9 47.678 10.820 -2.420 99 HD3 ARG 9 HD1 ARG 9 49.413 10.913 -2.030 100 HE ARG 9 HE ARG 9 49.520 12.831 -3.394 101 HH11 ARG 9 HH11 ARG 9 46.455 12.916 -3.055 102 HH12 ARG 9 HH12 ARG 9 45.962 13.141 -4.700 103 HH21 ARG 9 HH21 ARG 9 49.039 12.246 -6.026 104 HH22 ARG 9 HH22 ARG 9 47.425 12.763 -6.381 105 H ARG 10 HN ARG 10 49.811 6.935 0.237 106 HA ARG 10 HA ARG 10 49.389 4.223 -0.538 107 HB2 ARG 10 HB2 ARG 10 49.448 3.743 1.890 108 HB3 ARG 10 HB1 ARG 10 50.727 4.889 1.427 109 HG2 ARG 10 HG2 ARG 10 48.939 6.744 2.046 110 HG3 ARG 10 HG1 ARG 10 48.144 5.420 2.935 111 HD2 ARG 10 HD2 ARG 10 50.370 4.981 4.084 112 HD3 ARG 10 HD1 ARG 10 50.965 6.488 3.349 113 HE ARG 10 HE ARG 10 48.556 7.163 4.634 114 HH11 ARG 10 HH11 ARG 10 51.052 8.503 5.404 115 HH12 ARG 10 HH12 ARG 10 51.314 7.953 7.025 116 HH21 ARG 10 HH21 ARG 10 49.129 5.275 6.751 117 HH22 ARG 10 HH22 ARG 10 50.226 6.125 7.788 118 H ILE 11 HN ILE 11 47.354 6.477 1.314 119 HA ILE 11 HA ILE 11 44.943 4.830 0.586 120 HB ILE 11 HB ILE 11 45.540 4.661 3.051 121 HG12 ILE 11 HG12 ILE 11 42.988 6.197 2.373 122 HG13 ILE 11 HG11 ILE 11 43.203 4.436 2.243 123 HG21 ILE 11 HG21 ILE 11 46.459 7.080 3.080 124 HG22 ILE 11 HG22 ILE 11 45.474 6.574 4.471 125 HG23 ILE 11 HG23 ILE 11 44.762 7.600 3.201 126 HD11 ILE 11 HD1 ILE 11 43.159 6.159 4.743 127 HD12 ILE 11 HD2 ILE 11 43.850 4.517 4.753 128 HD13 ILE 11 HD3 ILE 11 42.136 4.762 4.343 129 H GLY 12 HN GLY 12 46.696 7.785 0.725 130 HA2 GLY 12 HA1 GLY 12 44.605 9.698 0.639 131 HA3 GLY 12 HA2 GLY 12 46.196 9.879 -0.133 132 H LYS 13 HN LYS 13 45.882 7.539 -1.855 133 HA LYS 13 HA LYS 13 44.772 8.780 -4.145 134 HB2 LYS 13 HB2 LYS 13 46.258 6.830 -4.272 135 HB3 LYS 13 HB1 LYS 13 45.023 5.815 -3.492 136 HG2 LYS 13 HG2 LYS 13 43.549 5.977 -5.364 137 HG3 LYS 13 HG1 LYS 13 44.465 7.330 -6.072 138 HD2 LYS 13 HD2 LYS 13 44.909 5.170 -7.246 139 HD3 LYS 13 HD1 LYS 13 46.377 5.838 -6.496 140 HE2 LYS 13 HE2 LYS 13 46.328 4.263 -4.717 141 HE3 LYS 13 HE1 LYS 13 44.629 3.830 -5.026 142 HZ1 LYS 13 HZ1 LYS 13 45.837 2.093 -5.949 143 HZ2 LYS 13 HZ2 LYS 13 47.041 3.110 -6.585 144 HZ3 LYS 13 HZ3 LYS 13 45.497 3.070 -7.294 145 H GLY 14 HN GLY 14 43.225 7.576 -1.388 146 HA2 GLY 14 HA1 GLY 14 40.633 7.130 -2.835 147 HA3 GLY 14 HA2 GLY 14 41.036 6.560 -1.205 148 H VAL 15 HN VAL 15 42.086 8.886 -0.041 149 HA VAL 15 HA VAL 15 39.559 10.515 0.114 150 HB VAL 15 HB VAL 15 40.547 11.332 2.294 151 HG11 VAL 15 HG11 VAL 15 38.878 9.573 2.324 152 HG12 VAL 15 HG12 VAL 15 40.163 9.122 3.472 153 HG13 VAL 15 HG13 VAL 15 40.088 8.350 1.869 154 HG21 VAL 15 HG21 VAL 15 42.913 10.857 1.817 155 HG22 VAL 15 HG22 VAL 15 42.561 9.119 1.693 156 HG23 VAL 15 HG23 VAL 15 42.393 9.955 3.255 157 H LYS 16 HN LYS 16 43.115 10.825 -0.299 158 HA LYS 16 HA LYS 16 42.981 13.740 -0.373 159 HB2 LYS 16 HB2 LYS 16 45.113 11.719 -1.152 160 HB3 LYS 16 HB1 LYS 16 45.334 13.465 -1.400 161 HG2 LYS 16 HG2 LYS 16 44.824 13.796 1.066 162 HG3 LYS 16 HG1 LYS 16 44.859 12.027 1.244 163 HD2 LYS 16 HD2 LYS 16 47.174 11.989 0.346 164 HD3 LYS 16 HD1 LYS 16 47.140 13.764 0.213 165 HE2 LYS 16 HE2 LYS 16 46.715 12.221 2.808 166 HE3 LYS 16 HE1 LYS 16 48.258 12.961 2.314 167 HZ1 LYS 16 HZ1 LYS 16 46.244 14.881 2.018 168 HZ2 LYS 16 HZ2 LYS 16 47.534 14.876 3.125 169 HZ3 LYS 16 HZ3 LYS 16 46.043 14.181 3.551 170 H ILE 17 HN ILE 17 42.601 11.149 -2.722 171 HA ILE 17 HA ILE 17 43.204 12.345 -5.136 172 HB ILE 17 HB ILE 17 42.187 10.071 -4.860 173 HG12 ILE 17 HG12 ILE 17 40.737 11.876 -6.853 174 HG13 ILE 17 HG11 ILE 17 42.373 11.215 -7.083 175 HG21 ILE 17 HG21 ILE 17 39.507 11.509 -4.854 176 HG22 ILE 17 HG22 ILE 17 40.300 10.977 -3.354 177 HG23 ILE 17 HG23 ILE 17 39.830 9.781 -4.584 178 HD11 ILE 17 HD1 ILE 17 39.735 9.715 -6.946 179 HD12 ILE 17 HD2 ILE 17 41.293 8.887 -6.708 180 HD13 ILE 17 HD3 ILE 17 40.946 9.707 -8.248 181 H ILE 18 HN ILE 18 40.371 13.059 -3.082 182 HA ILE 18 HA ILE 18 40.109 15.673 -4.331 183 HB ILE 18 HB ILE 18 38.967 13.967 -5.967 184 HG12 ILE 18 HG12 ILE 18 36.877 15.648 -6.102 185 HG13 ILE 18 HG11 ILE 18 37.801 16.561 -4.892 186 HG21 ILE 18 HG21 ILE 18 36.645 14.215 -4.023 187 HG22 ILE 18 HG22 ILE 18 37.772 12.840 -3.952 188 HG23 ILE 18 HG23 ILE 18 36.817 13.132 -5.425 189 HD11 ILE 18 HD1 ILE 18 38.289 17.298 -7.227 190 HD12 ILE 18 HD2 ILE 18 38.879 15.664 -7.605 191 HD13 ILE 18 HD3 ILE 18 39.738 16.668 -6.414 192 H GLY 19 HN GLY 19 40.249 14.017 -1.722 193 HA2 GLY 19 HA1 GLY 19 37.971 15.429 -0.332 194 HA3 GLY 19 HA2 GLY 19 38.550 13.816 0.129 195 H GLY 20 HN GLY 20 40.990 15.982 -0.943 196 HA2 GLY 20 HA1 GLY 20 41.483 17.269 1.612 197 HA3 GLY 20 HA2 GLY 20 42.537 15.861 1.365 198 H ALA 21 HN ALA 21 42.793 16.074 -1.473 199 HA ALA 21 HA ALA 21 44.974 17.961 -1.578 200 HB1 ALA 21 HB1 ALA 21 44.992 15.958 -2.946 201 HB2 ALA 21 HB2 ALA 21 44.994 17.386 -4.010 202 HB3 ALA 21 HB3 ALA 21 43.493 16.459 -3.765 203 H ALA 22 HN ALA 22 41.766 18.563 -1.422 204 HA ALA 22 HA ALA 22 42.099 21.249 -2.597 205 HB1 ALA 22 HB1 ALA 22 41.423 20.079 -4.591 206 HB2 ALA 22 HB2 ALA 22 40.016 20.992 -3.992 207 HB3 ALA 22 HB3 ALA 22 40.121 19.236 -3.720 208 H LEU 23 HN LEU 23 39.893 18.797 -1.216 209 HA LEU 23 HA LEU 23 38.169 20.855 -0.020 210 HB2 LEU 23 HB2 LEU 23 38.323 17.827 0.144 211 HB3 LEU 23 HB1 LEU 23 37.212 18.754 1.170 212 HG LEU 23 HG LEU 23 36.238 17.843 -1.013 213 HD11 LEU 23 HD11 LEU 23 35.367 19.890 0.350 214 HD12 LEU 23 HD12 LEU 23 34.795 19.688 -1.318 215 HD13 LEU 23 HD13 LEU 23 36.059 20.880 -0.955 216 HD21 LEU 23 HD21 LEU 23 37.809 20.119 -2.296 217 HD22 LEU 23 HD22 LEU 23 36.782 18.910 -3.100 218 HD23 LEU 23 HD23 LEU 23 38.320 18.415 -2.357 219 H ASP 24 HN ASP 24 40.407 21.738 0.867 220 HA ASP 24 HA ASP 24 40.317 21.204 3.743 221 HB2 ASP 24 HB2 ASP 24 41.747 19.327 3.031 222 HB3 ASP 24 HB1 ASP 24 42.826 20.460 2.182 223 H HIS 25 HN HIS 25 41.943 22.677 0.944 224 HA HIS 25 HA HIS 25 43.237 24.755 2.519 225 HB2 HIS 25 HB2 HIS 25 42.633 24.492 -0.452 226 HB3 HIS 25 HB1 HIS 25 43.578 25.822 0.258 227 HD1 HIS 25 HD1 HIS 25 44.863 23.764 2.488 228 HD2 HIS 25 HD2 HIS 25 44.963 23.384 -1.699 229 HE1 HIS 25 HE1 HIS 25 46.883 22.311 1.902 230 H LEU 26 HN LEU 26 41.243 25.662 -0.228 231 HA LEU 26 HA LEU 26 39.631 27.324 -0.413 232 HB2 LEU 26 HB2 LEU 26 38.792 25.885 2.128 233 HB3 LEU 26 HB1 LEU 26 37.844 27.242 1.474 234 HG LEU 26 HG LEU 26 37.532 26.066 -0.647 235 HD11 LEU 26 HD11 LEU 26 39.556 24.860 -0.979 236 HD12 LEU 26 HD12 LEU 26 38.337 23.594 -0.713 237 HD13 LEU 26 HD13 LEU 26 39.442 24.056 0.605 238 HD21 LEU 26 HD21 LEU 26 36.099 24.269 0.137 239 HD22 LEU 26 HD22 LEU 26 36.036 25.577 1.343 240 HD23 LEU 26 HD23 LEU 26 37.021 24.127 1.651 Start of MODEL 42 1 H1 GLY 1 HT1 GLY 1 54.699 -0.953 -4.134 2 H2 GLY 1 HT2 GLY 1 55.484 -1.999 -3.050 3 H3 GLY 1 HT3 GLY 1 55.931 -0.363 -3.132 4 HA2 GLY 1 HA1 GLY 1 53.168 -0.669 -2.635 5 HA3 GLY 1 HA2 GLY 1 54.161 -1.498 -1.421 6 H ARG 2 HN ARG 2 56.413 0.446 -1.991 7 HA ARG 2 HA ARG 2 55.281 2.990 -0.916 8 HB2 ARG 2 HB2 ARG 2 57.398 1.343 0.534 9 HB3 ARG 2 HB1 ARG 2 56.903 2.999 0.960 10 HG2 ARG 2 HG2 ARG 2 54.526 2.123 1.192 11 HG3 ARG 2 HG1 ARG 2 55.190 0.481 1.023 12 HD2 ARG 2 HD2 ARG 2 56.702 0.928 2.966 13 HD3 ARG 2 HD1 ARG 2 55.932 2.520 3.166 14 HE ARG 2 HE ARG 2 54.800 -0.037 3.980 15 HH11 ARG 2 HH11 ARG 2 52.890 1.227 1.955 16 HH12 ARG 2 HH12 ARG 2 51.847 2.129 3.003 17 HH21 ARG 2 HH21 ARG 2 53.992 1.952 5.723 18 HH22 ARG 2 HH22 ARG 2 52.470 2.540 5.137 19 H ARG 3 HN ARG 3 55.941 3.822 -2.954 20 HA ARG 3 HA ARG 3 58.665 3.590 -3.889 21 HB2 ARG 3 HB2 ARG 3 56.313 5.399 -4.507 22 HB3 ARG 3 HB1 ARG 3 57.914 5.776 -5.183 23 HG2 ARG 3 HG2 ARG 3 56.502 4.376 -6.716 24 HG3 ARG 3 HG1 ARG 3 58.031 3.590 -6.263 25 HD2 ARG 3 HD2 ARG 3 55.989 2.082 -6.166 26 HD3 ARG 3 HD1 ARG 3 56.916 2.173 -4.651 27 HE ARG 3 HE ARG 3 54.980 4.153 -4.383 28 HH11 ARG 3 HH11 ARG 3 55.214 0.745 -4.734 29 HH12 ARG 3 HH12 ARG 3 53.594 0.439 -4.204 30 HH21 ARG 3 HH21 ARG 3 52.788 3.792 -3.862 31 HH22 ARG 3 HH22 ARG 3 52.222 2.163 -3.710 32 H LYS 4 HN LYS 4 57.048 6.620 -2.842 33 HA LYS 4 HA LYS 4 59.625 7.752 -2.049 34 HB2 LYS 4 HB2 LYS 4 56.778 8.757 -1.640 35 HB3 LYS 4 HB1 LYS 4 58.259 9.699 -1.349 36 HG2 LYS 4 HG2 LYS 4 58.907 9.356 -3.741 37 HG3 LYS 4 HG1 LYS 4 57.364 8.510 -4.011 38 HD2 LYS 4 HD2 LYS 4 56.145 10.561 -3.250 39 HD3 LYS 4 HD1 LYS 4 57.708 11.402 -3.105 40 HE2 LYS 4 HE2 LYS 4 56.806 11.982 -5.265 41 HE3 LYS 4 HE1 LYS 4 58.123 10.821 -5.553 42 HZ1 LYS 4 HZ1 LYS 4 55.422 9.756 -5.152 43 HZ2 LYS 4 HZ2 LYS 4 56.679 9.189 -6.145 44 HZ3 LYS 4 HZ3 LYS 4 55.748 10.525 -6.628 45 H ARG 5 HN ARG 5 56.674 7.875 -0.056 46 HA ARG 5 HA ARG 5 57.702 6.162 2.025 47 HB2 ARG 5 HB2 ARG 5 59.137 8.414 2.074 48 HB3 ARG 5 HB1 ARG 5 57.710 9.061 2.910 49 HG2 ARG 5 HG2 ARG 5 57.876 7.036 4.482 50 HG3 ARG 5 HG1 ARG 5 59.459 6.708 3.741 51 HD2 ARG 5 HD2 ARG 5 60.264 8.937 4.394 52 HD3 ARG 5 HD1 ARG 5 58.668 9.334 5.076 53 HE ARG 5 HE ARG 5 59.317 8.146 7.002 54 HH11 ARG 5 HH11 ARG 5 62.188 8.344 6.434 55 HH12 ARG 5 HH12 ARG 5 62.694 6.689 6.358 56 HH21 ARG 5 HH21 ARG 5 59.480 5.447 5.967 57 HH22 ARG 5 HH22 ARG 5 61.161 5.049 6.095 58 H LYS 6 HN LYS 6 55.994 9.326 2.127 59 HA LYS 6 HA LYS 6 53.402 7.906 2.542 60 HB2 LYS 6 HB2 LYS 6 54.266 10.067 4.498 61 HB3 LYS 6 HB1 LYS 6 52.916 8.912 4.633 62 HG2 LYS 6 HG2 LYS 6 54.605 7.045 4.722 63 HG3 LYS 6 HG1 LYS 6 55.890 8.275 4.757 64 HD2 LYS 6 HD2 LYS 6 54.748 9.267 6.802 65 HD3 LYS 6 HD1 LYS 6 53.698 7.828 6.819 66 HE2 LYS 6 HE2 LYS 6 55.522 7.345 8.310 67 HE3 LYS 6 HE1 LYS 6 55.838 6.420 6.821 68 HZ1 LYS 6 HZ1 LYS 6 57.783 7.455 6.728 69 HZ2 LYS 6 HZ2 LYS 6 57.385 8.487 8.017 70 HZ3 LYS 6 HZ3 LYS 6 56.966 8.909 6.425 71 H TRP 7 HN TRP 7 53.905 9.086 0.245 72 HA TRP 7 HA TRP 7 52.072 11.381 0.266 73 HB2 TRP 7 HB2 TRP 7 54.998 11.740 -0.497 74 HB3 TRP 7 HB1 TRP 7 53.706 12.876 -0.950 75 HD1 TRP 7 HD1 TRP 7 52.239 13.847 1.231 76 HE1 TRP 7 HE1 TRP 7 53.110 14.624 3.557 77 HE3 TRP 7 HE3 TRP 7 56.771 11.463 1.236 78 HZ2 TRP 7 HZ2 TRP 7 55.463 14.243 5.171 79 HZ3 TRP 7 HZ3 TRP 7 58.311 11.683 3.179 80 HH2 TRP 7 HH2 TRP 7 57.663 13.069 5.146 81 H LEU 8 HN LEU 8 53.142 8.594 -0.974 82 HA LEU 8 HA LEU 8 53.169 9.183 -3.821 83 HB2 LEU 8 HB2 LEU 8 52.646 6.552 -3.828 84 HB3 LEU 8 HB1 LEU 8 54.256 7.165 -3.402 85 HG LEU 8 HG LEU 8 52.238 6.911 -1.157 86 HD11 LEU 8 HD11 LEU 8 52.836 4.519 -0.837 87 HD12 LEU 8 HD12 LEU 8 53.707 4.539 -2.390 88 HD13 LEU 8 HD13 LEU 8 51.943 4.783 -2.355 89 HD21 LEU 8 HD21 LEU 8 55.162 6.055 -1.201 90 HD22 LEU 8 HD22 LEU 8 54.173 6.577 0.183 91 HD23 LEU 8 HD23 LEU 8 54.712 7.766 -1.025 92 H ARG 9 HN ARG 9 50.937 6.790 -2.480 93 HA ARG 9 HA ARG 9 48.550 8.357 -2.845 94 HB2 ARG 9 HB2 ARG 9 47.718 6.955 -4.872 95 HB3 ARG 9 HB1 ARG 9 48.827 8.307 -5.188 96 HG2 ARG 9 HG2 ARG 9 49.533 6.337 -6.467 97 HG3 ARG 9 HG1 ARG 9 50.744 6.706 -5.223 98 HD2 ARG 9 HD2 ARG 9 50.123 4.852 -3.895 99 HD3 ARG 9 HD1 ARG 9 48.513 4.728 -4.645 100 HE ARG 9 HE ARG 9 50.689 4.257 -6.538 101 HH11 ARG 9 HH11 ARG 9 49.120 2.851 -3.831 102 HH12 ARG 9 HH12 ARG 9 49.040 1.265 -4.522 103 HH21 ARG 9 HH21 ARG 9 50.390 2.234 -7.565 104 HH22 ARG 9 HH22 ARG 9 49.757 0.917 -6.637 105 H ARG 10 HN ARG 10 49.982 6.309 -1.133 106 HA ARG 10 HA ARG 10 48.820 3.787 -1.147 107 HB2 ARG 10 HB2 ARG 10 48.763 4.213 1.528 108 HB3 ARG 10 HB1 ARG 10 50.287 4.011 0.636 109 HG2 ARG 10 HG2 ARG 10 50.669 6.374 0.540 110 HG3 ARG 10 HG1 ARG 10 49.015 6.740 1.081 111 HD2 ARG 10 HD2 ARG 10 50.889 6.930 2.848 112 HD3 ARG 10 HD1 ARG 10 49.459 5.971 3.298 113 HE ARG 10 HE ARG 10 51.223 4.115 2.192 114 HH11 ARG 10 HH11 ARG 10 53.575 5.450 3.081 115 HH12 ARG 10 HH12 ARG 10 53.717 5.039 4.759 116 HH21 ARG 10 HH21 ARG 10 50.417 4.019 5.062 117 HH22 ARG 10 HH22 ARG 10 51.930 4.229 5.879 118 H ILE 11 HN ILE 11 47.445 5.897 1.355 119 HA ILE 11 HA ILE 11 44.722 4.956 0.504 120 HB ILE 11 HB ILE 11 44.119 6.057 2.832 121 HG12 ILE 11 HG12 ILE 11 45.997 6.035 4.441 122 HG13 ILE 11 HG11 ILE 11 47.128 5.620 3.133 123 HG21 ILE 11 HG21 ILE 11 44.834 3.955 4.008 124 HG22 ILE 11 HG22 ILE 11 45.805 3.528 2.578 125 HG23 ILE 11 HG23 ILE 11 44.033 3.649 2.448 126 HD11 ILE 11 HD1 ILE 11 46.931 8.126 3.850 127 HD12 ILE 11 HD2 ILE 11 45.394 8.110 2.956 128 HD13 ILE 11 HD3 ILE 11 46.920 7.748 2.114 129 H GLY 12 HN GLY 12 46.738 7.459 -0.153 130 HA2 GLY 12 HA1 GLY 12 44.969 9.718 0.255 131 HA3 GLY 12 HA2 GLY 12 46.392 9.665 -0.811 132 H LYS 13 HN LYS 13 45.476 7.316 -2.247 133 HA LYS 13 HA LYS 13 44.171 8.476 -4.444 134 HB2 LYS 13 HB2 LYS 13 45.285 6.230 -4.372 135 HB3 LYS 13 HB1 LYS 13 43.887 5.612 -3.459 136 HG2 LYS 13 HG2 LYS 13 42.391 6.016 -5.303 137 HG3 LYS 13 HG1 LYS 13 43.626 6.950 -6.180 138 HD2 LYS 13 HD2 LYS 13 43.378 4.625 -7.073 139 HD3 LYS 13 HD1 LYS 13 45.013 4.945 -6.448 140 HE2 LYS 13 HE2 LYS 13 43.859 2.705 -5.768 141 HE3 LYS 13 HE1 LYS 13 44.652 3.655 -4.489 142 HZ1 LYS 13 HZ1 LYS 13 42.680 4.217 -3.568 143 HZ2 LYS 13 HZ2 LYS 13 42.158 2.779 -4.309 144 HZ3 LYS 13 HZ3 LYS 13 41.853 4.278 -5.049 145 H GLY 14 HN GLY 14 42.938 7.753 -1.336 146 HA2 GLY 14 HA1 GLY 14 40.099 7.738 -2.309 147 HA3 GLY 14 HA2 GLY 14 40.668 7.176 -0.727 148 H VAL 15 HN VAL 15 42.273 9.298 0.117 149 HA VAL 15 HA VAL 15 40.133 11.370 0.545 150 HB VAL 15 HB VAL 15 41.622 12.122 2.444 151 HG11 VAL 15 HG11 VAL 15 39.711 10.643 2.846 152 HG12 VAL 15 HG12 VAL 15 41.073 10.144 3.878 153 HG13 VAL 15 HG13 VAL 15 40.685 9.219 2.408 154 HG21 VAL 15 HG21 VAL 15 43.760 11.223 1.611 155 HG22 VAL 15 HG22 VAL 15 43.117 9.565 1.706 156 HG23 VAL 15 HG23 VAL 15 43.372 10.507 3.192 157 H LYS 16 HN LYS 16 43.531 10.987 -0.494 158 HA LYS 16 HA LYS 16 44.045 13.811 -0.731 159 HB2 LYS 16 HB2 LYS 16 45.776 11.961 -0.682 160 HB3 LYS 16 HB1 LYS 16 45.322 11.589 -2.363 161 HG2 LYS 16 HG2 LYS 16 45.871 13.906 -3.035 162 HG3 LYS 16 HG1 LYS 16 46.314 14.292 -1.355 163 HD2 LYS 16 HD2 LYS 16 48.020 12.413 -1.470 164 HD3 LYS 16 HD1 LYS 16 47.674 12.298 -3.213 165 HE2 LYS 16 HE2 LYS 16 48.834 14.659 -1.687 166 HE3 LYS 16 HE1 LYS 16 49.574 13.748 -3.025 167 HZ1 LYS 16 HZ1 LYS 16 47.565 15.850 -3.090 168 HZ2 LYS 16 HZ2 LYS 16 47.297 14.554 -4.155 169 HZ3 LYS 16 HZ3 LYS 16 48.746 15.437 -4.235 170 H ILE 17 HN ILE 17 42.878 11.341 -3.041 171 HA ILE 17 HA ILE 17 42.934 12.809 -5.410 172 HB ILE 17 HB ILE 17 42.213 10.533 -5.499 173 HG12 ILE 17 HG12 ILE 17 39.584 11.995 -6.006 174 HG13 ILE 17 HG11 ILE 17 41.005 12.326 -7.019 175 HG21 ILE 17 HG21 ILE 17 41.330 10.341 -3.238 176 HG22 ILE 17 HG22 ILE 17 40.083 9.792 -4.380 177 HG23 ILE 17 HG23 ILE 17 39.965 11.400 -3.640 178 HD11 ILE 17 HD1 ILE 17 41.161 9.813 -7.451 179 HD12 ILE 17 HD2 ILE 17 39.732 10.615 -8.138 180 HD13 ILE 17 HD3 ILE 17 39.580 9.655 -6.651 181 H ILE 18 HN ILE 18 41.055 13.445 -2.563 182 HA ILE 18 HA ILE 18 39.717 15.726 -4.003 183 HB ILE 18 HB ILE 18 37.691 15.367 -2.561 184 HG12 ILE 18 HG12 ILE 18 39.158 12.772 -1.904 185 HG13 ILE 18 HG11 ILE 18 38.681 14.052 -0.768 186 HG21 ILE 18 HG21 ILE 18 37.955 14.494 -4.967 187 HG22 ILE 18 HG22 ILE 18 36.703 13.708 -3.978 188 HG23 ILE 18 HG23 ILE 18 38.263 12.898 -4.246 189 HD11 ILE 18 HD1 ILE 18 37.013 12.378 -0.507 190 HD12 ILE 18 HD2 ILE 18 36.901 12.094 -2.259 191 HD13 ILE 18 HD3 ILE 18 36.250 13.596 -1.557 192 H GLY 19 HN GLY 19 41.868 14.758 -1.750 193 HA2 GLY 19 HA1 GLY 19 41.081 16.688 0.373 194 HA3 GLY 19 HA2 GLY 19 42.444 15.550 0.409 195 H GLY 20 HN GLY 20 43.187 16.385 -2.391 196 HA2 GLY 20 HA1 GLY 20 43.891 19.199 -2.217 197 HA3 GLY 20 HA2 GLY 20 45.263 18.145 -1.809 198 H ALA 21 HN ALA 21 46.139 19.318 -3.756 199 HA ALA 21 HA ALA 21 46.707 19.306 -6.009 200 HB1 ALA 21 HB1 ALA 21 45.699 16.441 -5.945 201 HB2 ALA 21 HB2 ALA 21 47.293 16.952 -5.334 202 HB3 ALA 21 HB3 ALA 21 46.896 17.143 -7.059 203 H ALA 22 HN ALA 22 43.721 19.512 -4.988 204 HA ALA 22 HA ALA 22 42.642 20.191 -7.586 205 HB1 ALA 22 HB1 ALA 22 42.465 17.674 -7.612 206 HB2 ALA 22 HB2 ALA 22 40.913 18.531 -7.778 207 HB3 ALA 22 HB3 ALA 22 41.366 17.800 -6.218 208 H LEU 23 HN LEU 23 41.677 19.052 -4.304 209 HA LEU 23 HA LEU 23 39.531 21.065 -4.194 210 HB2 LEU 23 HB2 LEU 23 39.452 18.737 -3.122 211 HB3 LEU 23 HB1 LEU 23 40.597 19.363 -1.916 212 HG LEU 23 HG LEU 23 38.818 21.351 -1.689 213 HD11 LEU 23 HD11 LEU 23 36.481 20.478 -1.974 214 HD12 LEU 23 HD12 LEU 23 37.142 19.050 -2.799 215 HD13 LEU 23 HD13 LEU 23 37.336 20.664 -3.519 216 HD21 LEU 23 HD21 LEU 23 37.700 20.133 0.120 217 HD22 LEU 23 HD22 LEU 23 39.426 19.702 0.097 218 HD23 LEU 23 HD23 LEU 23 38.218 18.577 -0.566 219 H ASP 24 HN ASP 24 41.573 22.574 -4.727 220 HA ASP 24 HA ASP 24 41.895 24.175 -2.297 221 HB2 ASP 24 HB2 ASP 24 44.226 22.635 -3.483 222 HB3 ASP 24 HB1 ASP 24 44.477 24.146 -2.575 223 H HIS 25 HN HIS 25 43.499 23.564 -5.458 224 HA HIS 25 HA HIS 25 44.163 25.106 -7.087 225 HB2 HIS 25 HB2 HIS 25 42.267 26.311 -8.081 226 HB3 HIS 25 HB1 HIS 25 41.792 24.655 -7.631 227 HD1 HIS 25 HD1 HIS 25 40.346 24.365 -5.422 228 HD2 HIS 25 HD2 HIS 25 40.953 28.347 -6.628 229 HE1 HIS 25 HE1 HIS 25 38.645 25.808 -4.174 230 H LEU 26 HN LEU 26 44.672 25.962 -4.283 231 HA LEU 26 HA LEU 26 45.309 27.882 -3.137 232 HB2 LEU 26 HB2 LEU 26 45.795 28.629 -6.041 233 HB3 LEU 26 HB1 LEU 26 46.165 29.770 -4.728 234 HG LEU 26 HG LEU 26 47.683 28.158 -3.690 235 HD11 LEU 26 HD11 LEU 26 48.190 26.012 -5.047 236 HD12 LEU 26 HD12 LEU 26 46.648 26.318 -5.882 237 HD13 LEU 26 HD13 LEU 26 46.670 26.040 -4.123 238 HD21 LEU 26 HD21 LEU 26 48.576 29.610 -5.484 239 HD22 LEU 26 HD22 LEU 26 48.139 28.385 -6.699 240 HD23 LEU 26 HD23 LEU 26 49.394 28.030 -5.487 Start of MODEL 43 1 H1 GLY 1 HT1 GLY 1 59.079 -2.463 2.994 2 H2 GLY 1 HT2 GLY 1 60.056 -1.151 3.455 3 H3 GLY 1 HT3 GLY 1 59.416 -1.229 1.883 4 HA2 GLY 1 HA1 GLY 1 57.174 -1.171 2.879 5 HA3 GLY 1 HA2 GLY 1 57.983 -0.799 4.413 6 H ARG 2 HN ARG 2 59.766 1.000 4.102 7 HA ARG 2 HA ARG 2 58.288 3.365 3.269 8 HB2 ARG 2 HB2 ARG 2 61.103 2.863 4.297 9 HB3 ARG 2 HB1 ARG 2 60.570 4.483 3.790 10 HG2 ARG 2 HG2 ARG 2 60.289 4.085 6.252 11 HG3 ARG 2 HG1 ARG 2 58.759 4.459 5.427 12 HD2 ARG 2 HD2 ARG 2 58.024 2.202 5.515 13 HD3 ARG 2 HD1 ARG 2 59.662 1.585 5.846 14 HE ARG 2 HE ARG 2 59.098 3.233 8.016 15 HH11 ARG 2 HH11 ARG 2 57.673 0.518 6.440 16 HH12 ARG 2 HH12 ARG 2 56.888 -0.068 7.869 17 HH21 ARG 2 HH21 ARG 2 58.047 2.507 9.880 18 HH22 ARG 2 HH22 ARG 2 57.100 1.059 9.817 19 H ARG 3 HN ARG 3 57.937 2.562 1.020 20 HA ARG 3 HA ARG 3 60.184 2.433 -0.801 21 HB2 ARG 3 HB2 ARG 3 57.211 2.876 -1.278 22 HB3 ARG 3 HB1 ARG 3 58.410 2.584 -2.562 23 HG2 ARG 3 HG2 ARG 3 58.938 0.396 -1.684 24 HG3 ARG 3 HG1 ARG 3 57.990 0.698 -0.207 25 HD2 ARG 3 HD2 ARG 3 56.680 -0.704 -1.726 26 HD3 ARG 3 HD1 ARG 3 55.929 0.907 -1.625 27 HE ARG 3 HE ARG 3 57.718 0.976 -3.816 28 HH11 ARG 3 HH11 ARG 3 56.071 -1.806 -3.421 29 HH12 ARG 3 HH12 ARG 3 54.959 -1.598 -4.733 30 HH21 ARG 3 HH21 ARG 3 55.774 1.733 -5.245 31 HH22 ARG 3 HH22 ARG 3 54.790 0.406 -5.765 32 H LYS 4 HN LYS 4 57.917 4.982 0.218 33 HA LYS 4 HA LYS 4 59.775 7.012 -0.943 34 HB2 LYS 4 HB2 LYS 4 56.786 7.183 -1.461 35 HB3 LYS 4 HB1 LYS 4 58.096 8.150 -2.178 36 HG2 LYS 4 HG2 LYS 4 58.990 6.039 -3.236 37 HG3 LYS 4 HG1 LYS 4 57.563 5.182 -2.618 38 HD2 LYS 4 HD2 LYS 4 56.984 5.766 -4.852 39 HD3 LYS 4 HD1 LYS 4 56.140 6.952 -3.834 40 HE2 LYS 4 HE2 LYS 4 57.648 8.693 -4.404 41 HE3 LYS 4 HE1 LYS 4 58.897 7.559 -4.969 42 HZ1 LYS 4 HZ1 LYS 4 57.902 7.326 -6.958 43 HZ2 LYS 4 HZ2 LYS 4 57.226 8.841 -6.590 44 HZ3 LYS 4 HZ3 LYS 4 56.330 7.421 -6.331 45 H ARG 5 HN ARG 5 59.500 6.302 1.733 46 HA ARG 5 HA ARG 5 59.052 7.237 3.811 47 HB2 ARG 5 HB2 ARG 5 58.607 9.875 2.376 48 HB3 ARG 5 HB1 ARG 5 59.287 9.593 3.995 49 HG2 ARG 5 HG2 ARG 5 60.568 8.868 1.324 50 HG3 ARG 5 HG1 ARG 5 61.101 10.139 2.448 51 HD2 ARG 5 HD2 ARG 5 61.194 7.124 2.844 52 HD3 ARG 5 HD1 ARG 5 62.546 8.276 2.850 53 HE ARG 5 HE ARG 5 60.633 8.891 4.943 54 HH11 ARG 5 HH11 ARG 5 61.594 5.869 4.852 55 HH12 ARG 5 HH12 ARG 5 62.807 5.937 6.084 56 HH21 ARG 5 HH21 ARG 5 62.899 9.402 6.174 57 HH22 ARG 5 HH22 ARG 5 63.547 7.937 6.833 58 H LYS 6 HN LYS 6 56.839 6.098 2.324 59 HA LYS 6 HA LYS 6 54.523 6.001 2.416 60 HB2 LYS 6 HB2 LYS 6 54.976 7.611 4.961 61 HB3 LYS 6 HB1 LYS 6 53.481 6.743 4.534 62 HG2 LYS 6 HG2 LYS 6 54.716 4.609 4.477 63 HG3 LYS 6 HG1 LYS 6 56.231 5.462 4.859 64 HD2 LYS 6 HD2 LYS 6 55.172 6.277 6.991 65 HD3 LYS 6 HD1 LYS 6 53.752 5.270 6.622 66 HE2 LYS 6 HE2 LYS 6 55.249 3.261 6.535 67 HE3 LYS 6 HE1 LYS 6 56.611 4.293 7.028 68 HZ1 LYS 6 HZ1 LYS 6 55.749 3.308 8.979 69 HZ2 LYS 6 HZ2 LYS 6 54.144 3.675 8.565 70 HZ3 LYS 6 HZ3 LYS 6 55.217 4.917 9.002 71 H TRP 7 HN TRP 7 54.417 7.325 0.493 72 HA TRP 7 HA TRP 7 52.661 9.608 0.896 73 HB2 TRP 7 HB2 TRP 7 54.871 10.678 1.341 74 HB3 TRP 7 HB1 TRP 7 55.422 10.161 -0.269 75 HD1 TRP 7 HD1 TRP 7 52.230 11.945 1.060 76 HE1 TRP 7 HE1 TRP 7 51.691 13.961 -0.490 77 HE3 TRP 7 HE3 TRP 7 56.105 11.473 -2.252 78 HZ2 TRP 7 HZ2 TRP 7 52.814 15.179 -2.845 79 HZ3 TRP 7 HZ3 TRP 7 56.352 13.074 -4.143 80 HH2 TRP 7 HH2 TRP 7 54.712 14.925 -4.442 81 H LEU 8 HN LEU 8 53.484 6.955 -0.631 82 HA LEU 8 HA LEU 8 53.313 7.766 -3.426 83 HB2 LEU 8 HB2 LEU 8 53.348 5.424 -3.933 84 HB3 LEU 8 HB1 LEU 8 54.476 5.687 -2.590 85 HG LEU 8 HG LEU 8 51.615 4.628 -2.320 86 HD11 LEU 8 HD11 LEU 8 53.302 3.091 -3.399 87 HD12 LEU 8 HD12 LEU 8 52.655 2.493 -1.852 88 HD13 LEU 8 HD13 LEU 8 54.280 3.216 -1.918 89 HD21 LEU 8 HD21 LEU 8 53.829 5.233 -0.313 90 HD22 LEU 8 HD22 LEU 8 52.530 4.070 0.042 91 HD23 LEU 8 HD23 LEU 8 52.131 5.770 -0.277 92 H ARG 9 HN ARG 9 51.133 8.575 -1.484 93 HA ARG 9 HA ARG 9 48.846 8.856 -1.587 94 HB2 ARG 9 HB2 ARG 9 48.913 7.611 -4.358 95 HB3 ARG 9 HB1 ARG 9 47.758 8.795 -3.706 96 HG2 ARG 9 HG2 ARG 9 50.716 9.274 -4.280 97 HG3 ARG 9 HG1 ARG 9 49.336 9.942 -5.180 98 HD2 ARG 9 HD2 ARG 9 48.590 10.953 -2.897 99 HD3 ARG 9 HD1 ARG 9 50.250 10.596 -2.360 100 HE ARG 9 HE ARG 9 50.980 12.408 -3.680 101 HH11 ARG 9 HH11 ARG 9 47.780 11.431 -4.494 102 HH12 ARG 9 HH12 ARG 9 47.580 12.634 -5.724 103 HH21 ARG 9 HH21 ARG 9 50.779 13.920 -5.356 104 HH22 ARG 9 HH22 ARG 9 49.278 14.043 -6.212 105 H ARG 10 HN ARG 10 49.896 6.502 -0.395 106 HA ARG 10 HA ARG 10 48.757 4.066 -1.145 107 HB2 ARG 10 HB2 ARG 10 48.463 3.824 1.521 108 HB3 ARG 10 HB1 ARG 10 50.071 3.851 0.764 109 HG2 ARG 10 HG2 ARG 10 50.394 6.172 1.287 110 HG3 ARG 10 HG1 ARG 10 48.692 6.378 1.758 111 HD2 ARG 10 HD2 ARG 10 49.099 4.680 3.612 112 HD3 ARG 10 HD1 ARG 10 50.825 4.733 3.188 113 HE ARG 10 HE ARG 10 49.803 7.398 3.648 114 HH11 ARG 10 HH11 ARG 10 51.242 4.580 4.972 115 HH12 ARG 10 HH12 ARG 10 51.518 5.281 6.532 116 HH21 ARG 10 HH21 ARG 10 49.947 8.273 5.758 117 HH22 ARG 10 HH22 ARG 10 50.783 7.371 6.977 118 H ILE 11 HN ILE 11 47.151 5.478 1.687 119 HA ILE 11 HA ILE 11 44.554 4.754 0.453 120 HB ILE 11 HB ILE 11 43.543 5.064 2.574 121 HG12 ILE 11 HG12 ILE 11 44.358 7.229 3.262 122 HG13 ILE 11 HG11 ILE 11 44.794 6.087 4.543 123 HG21 ILE 11 HG21 ILE 11 44.736 3.034 2.645 124 HG22 ILE 11 HG22 ILE 11 45.194 3.831 4.165 125 HG23 ILE 11 HG23 ILE 11 46.313 3.836 2.785 126 HD11 ILE 11 HD1 ILE 11 46.613 7.254 2.406 127 HD12 ILE 11 HD2 ILE 11 47.091 5.906 3.455 128 HD13 ILE 11 HD3 ILE 11 46.710 7.488 4.159 129 H GLY 12 HN GLY 12 46.611 7.322 0.246 130 HA2 GLY 12 HA1 GLY 12 44.778 9.525 0.623 131 HA3 GLY 12 HA2 GLY 12 46.318 9.570 -0.262 132 H LYS 13 HN LYS 13 45.839 7.671 -2.250 133 HA LYS 13 HA LYS 13 44.603 9.122 -4.277 134 HB2 LYS 13 HB2 LYS 13 44.321 6.977 -5.454 135 HB3 LYS 13 HB1 LYS 13 45.888 7.027 -4.606 136 HG2 LYS 13 HG2 LYS 13 44.709 5.884 -2.638 137 HG3 LYS 13 HG1 LYS 13 43.342 5.609 -3.740 138 HD2 LYS 13 HD2 LYS 13 44.949 4.476 -5.337 139 HD3 LYS 13 HD1 LYS 13 46.199 4.603 -4.076 140 HE2 LYS 13 HE2 LYS 13 45.220 2.410 -3.866 141 HE3 LYS 13 HE1 LYS 13 44.595 3.385 -2.514 142 HZ1 LYS 13 HZ1 LYS 13 42.682 3.909 -4.118 143 HZ2 LYS 13 HZ2 LYS 13 42.715 2.374 -3.390 144 HZ3 LYS 13 HZ3 LYS 13 43.218 2.564 -5.001 145 H GLY 14 HN GLY 14 43.138 7.593 -1.569 146 HA2 GLY 14 HA1 GLY 14 40.437 7.480 -2.815 147 HA3 GLY 14 HA2 GLY 14 40.908 6.863 -1.219 148 H VAL 15 HN VAL 15 42.172 9.084 -0.086 149 HA VAL 15 HA VAL 15 39.823 10.977 0.133 150 HB VAL 15 HB VAL 15 40.784 11.552 2.376 151 HG11 VAL 15 HG11 VAL 15 38.970 9.904 2.176 152 HG12 VAL 15 HG12 VAL 15 40.101 9.407 3.459 153 HG13 VAL 15 HG13 VAL 15 40.153 8.611 1.867 154 HG21 VAL 15 HG21 VAL 15 42.437 9.866 3.318 155 HG22 VAL 15 HG22 VAL 15 43.111 10.942 2.073 156 HG23 VAL 15 HG23 VAL 15 42.671 9.269 1.659 157 H LYS 16 HN LYS 16 43.380 10.753 -0.050 158 HA LYS 16 HA LYS 16 43.818 13.593 -0.000 159 HB2 LYS 16 HB2 LYS 16 45.543 11.748 0.384 160 HB3 LYS 16 HB1 LYS 16 45.571 11.532 -1.377 161 HG2 LYS 16 HG2 LYS 16 47.338 13.053 -1.070 162 HG3 LYS 16 HG1 LYS 16 45.989 14.149 -1.437 163 HD2 LYS 16 HD2 LYS 16 45.677 14.654 0.926 164 HD3 LYS 16 HD1 LYS 16 46.846 13.399 1.399 165 HE2 LYS 16 HE2 LYS 16 47.549 15.786 -0.356 166 HE3 LYS 16 HE1 LYS 16 47.781 15.752 1.409 167 HZ1 LYS 16 HZ1 LYS 16 49.585 14.490 1.188 168 HZ2 LYS 16 HZ2 LYS 16 49.541 14.837 -0.474 169 HZ3 LYS 16 HZ3 LYS 16 48.824 13.414 0.119 170 H ILE 17 HN ILE 17 43.314 11.233 -2.695 171 HA ILE 17 HA ILE 17 43.970 12.765 -4.897 172 HB ILE 17 HB ILE 17 42.895 10.525 -5.023 173 HG12 ILE 17 HG12 ILE 17 41.444 12.626 -6.693 174 HG13 ILE 17 HG11 ILE 17 43.104 12.070 -7.007 175 HG21 ILE 17 HG21 ILE 17 41.024 11.194 -3.383 176 HG22 ILE 17 HG22 ILE 17 40.535 10.230 -4.795 177 HG23 ILE 17 HG23 ILE 17 40.242 11.985 -4.771 178 HD11 ILE 17 HD1 ILE 17 41.712 10.757 -8.439 179 HD12 ILE 17 HD2 ILE 17 40.527 10.463 -7.147 180 HD13 ILE 17 HD3 ILE 17 42.126 9.684 -7.082 181 H ILE 18 HN ILE 18 41.426 13.499 -2.599 182 HA ILE 18 HA ILE 18 41.133 16.150 -3.757 183 HB ILE 18 HB ILE 18 39.657 14.755 -5.290 184 HG12 ILE 18 HG12 ILE 18 38.242 16.824 -3.544 185 HG13 ILE 18 HG11 ILE 18 39.339 17.204 -4.892 186 HG21 ILE 18 HG21 ILE 18 37.777 14.584 -2.903 187 HG22 ILE 18 HG22 ILE 18 38.884 13.256 -3.323 188 HG23 ILE 18 HG23 ILE 18 37.642 13.776 -4.483 189 HD11 ILE 18 HD1 ILE 18 37.777 15.745 -6.352 190 HD12 ILE 18 HD2 ILE 18 37.154 17.329 -5.833 191 HD13 ILE 18 HD3 ILE 18 36.621 15.848 -5.003 192 H GLY 19 HN GLY 19 39.540 13.669 -1.695 193 HA2 GLY 19 HA1 GLY 19 39.966 14.890 0.750 194 HA3 GLY 19 HA2 GLY 19 38.510 15.694 0.134 195 H GLY 20 HN GLY 20 38.052 12.978 -1.361 196 HA2 GLY 20 HA1 GLY 20 36.980 10.963 -0.905 197 HA3 GLY 20 HA2 GLY 20 37.431 11.130 0.803 198 H ALA 21 HN ALA 21 36.231 13.801 1.063 199 HA ALA 21 HA ALA 21 33.701 13.105 2.054 200 HB1 ALA 21 HB1 ALA 21 33.218 15.474 2.103 201 HB2 ALA 21 HB2 ALA 21 34.451 15.795 0.859 202 HB3 ALA 21 HB3 ALA 21 34.941 15.240 2.479 203 H ALA 22 HN ALA 22 34.470 14.603 -1.120 204 HA ALA 22 HA ALA 22 31.707 14.378 -2.032 205 HB1 ALA 22 HB1 ALA 22 34.321 14.972 -3.452 206 HB2 ALA 22 HB2 ALA 22 33.079 16.135 -2.932 207 HB3 ALA 22 HB3 ALA 22 32.733 14.992 -4.253 208 H LEU 23 HN LEU 23 34.733 12.544 -2.485 209 HA LEU 23 HA LEU 23 33.733 10.764 -4.485 210 HB2 LEU 23 HB2 LEU 23 36.160 11.187 -3.271 211 HB3 LEU 23 HB1 LEU 23 35.692 9.668 -2.483 212 HG LEU 23 HG LEU 23 35.811 10.157 -5.499 213 HD11 LEU 23 HD11 LEU 23 37.746 8.632 -5.422 214 HD12 LEU 23 HD12 LEU 23 37.572 8.477 -3.657 215 HD13 LEU 23 HD13 LEU 23 38.031 10.041 -4.372 216 HD21 LEU 23 HD21 LEU 23 35.578 7.569 -5.470 217 HD22 LEU 23 HD22 LEU 23 34.113 8.520 -5.141 218 HD23 LEU 23 HD23 LEU 23 35.004 7.763 -3.796 219 H ASP 24 HN ASP 24 32.912 11.144 -1.195 220 HA ASP 24 HA ASP 24 31.062 8.882 -1.330 221 HB2 ASP 24 HB2 ASP 24 33.244 7.780 -0.694 222 HB3 ASP 24 HB1 ASP 24 33.252 8.777 0.780 223 H HIS 25 HN HIS 25 30.127 11.241 -1.163 224 HA HIS 25 HA HIS 25 30.141 12.427 1.491 225 HB2 HIS 25 HB2 HIS 25 28.184 13.747 0.547 226 HB3 HIS 25 HB1 HIS 25 29.695 13.857 -0.386 227 HD1 HIS 25 HD1 HIS 25 26.980 11.129 -0.370 228 HD2 HIS 25 HD2 HIS 25 28.931 13.735 -3.032 229 HE1 HIS 25 HE1 HIS 25 26.087 10.634 -2.712 230 H LEU 26 HN LEU 26 29.086 9.504 0.703 231 HA LEU 26 HA LEU 26 26.344 9.533 1.661 232 HB2 LEU 26 HB2 LEU 26 28.271 7.181 1.670 233 HB3 LEU 26 HB1 LEU 26 26.494 7.134 1.609 234 HG LEU 26 HG LEU 26 28.282 8.339 -0.555 235 HD11 LEU 26 HD11 LEU 26 26.732 5.712 -0.513 236 HD12 LEU 26 HD12 LEU 26 28.498 5.861 -0.337 237 HD13 LEU 26 HD13 LEU 26 27.710 6.340 -1.861 238 HD21 LEU 26 HD21 LEU 26 25.276 7.925 -0.262 239 HD22 LEU 26 HD22 LEU 26 26.044 8.102 -1.858 240 HD23 LEU 26 HD23 LEU 26 26.153 9.420 -0.670 Start of MODEL 44 1 H1 GLY 1 HT1 GLY 1 56.328 -2.551 -0.982 2 H2 GLY 1 HT2 GLY 1 57.581 -3.210 -0.043 3 H3 GLY 1 HT3 GLY 1 57.751 -1.664 -0.730 4 HA2 GLY 1 HA1 GLY 1 55.439 -1.982 0.925 5 HA3 GLY 1 HA2 GLY 1 56.990 -2.166 1.770 6 H ARG 2 HN ARG 2 57.479 -0.344 2.778 7 HA ARG 2 HA ARG 2 56.526 2.240 1.812 8 HB2 ARG 2 HB2 ARG 2 58.457 1.438 4.023 9 HB3 ARG 2 HB1 ARG 2 57.947 3.114 3.707 10 HG2 ARG 2 HG2 ARG 2 55.615 2.547 4.108 11 HG3 ARG 2 HG1 ARG 2 56.015 0.817 4.238 12 HD2 ARG 2 HD2 ARG 2 57.315 1.206 6.257 13 HD3 ARG 2 HD1 ARG 2 57.134 2.969 6.085 14 HE ARG 2 HE ARG 2 54.519 1.992 6.190 15 HH11 ARG 2 HH11 ARG 2 57.131 2.786 8.191 16 HH12 ARG 2 HH12 ARG 2 56.385 2.241 9.656 17 HH21 ARG 2 HH21 ARG 2 53.636 0.862 8.055 18 HH22 ARG 2 HH22 ARG 2 54.406 1.151 9.579 19 H ARG 3 HN ARG 3 57.526 1.903 -0.384 20 HA ARG 3 HA ARG 3 60.421 2.101 -0.612 21 HB2 ARG 3 HB2 ARG 3 58.242 2.710 -2.653 22 HB3 ARG 3 HB1 ARG 3 59.967 2.474 -3.009 23 HG2 ARG 3 HG2 ARG 3 58.453 0.295 -1.524 24 HG3 ARG 3 HG1 ARG 3 58.250 0.451 -3.282 25 HD2 ARG 3 HD2 ARG 3 60.601 0.117 -3.678 26 HD3 ARG 3 HD1 ARG 3 60.984 0.270 -1.948 27 HE ARG 3 HE ARG 3 60.408 -2.000 -1.708 28 HH11 ARG 3 HH11 ARG 3 59.204 -3.857 -2.237 29 HH12 ARG 3 HH12 ARG 3 58.447 -3.953 -3.792 30 HH21 ARG 3 HH21 ARG 3 59.334 -0.731 -4.718 31 HH22 ARG 3 HH22 ARG 3 58.521 -2.183 -5.196 32 H LYS 4 HN LYS 4 57.822 4.329 -0.090 33 HA LYS 4 HA LYS 4 59.773 6.588 -0.133 34 HB2 LYS 4 HB2 LYS 4 57.085 6.780 -1.545 35 HB3 LYS 4 HB1 LYS 4 58.384 7.995 -1.498 36 HG2 LYS 4 HG2 LYS 4 59.885 6.314 -2.657 37 HG3 LYS 4 HG1 LYS 4 58.457 5.271 -2.860 38 HD2 LYS 4 HD2 LYS 4 57.304 7.060 -4.109 39 HD3 LYS 4 HD1 LYS 4 58.705 8.134 -3.882 40 HE2 LYS 4 HE2 LYS 4 58.631 6.956 -6.131 41 HE3 LYS 4 HE1 LYS 4 60.125 6.688 -5.202 42 HZ1 LYS 4 HZ1 LYS 4 57.788 4.844 -5.197 43 HZ2 LYS 4 HZ2 LYS 4 59.299 4.578 -4.467 44 HZ3 LYS 4 HZ3 LYS 4 59.168 4.635 -6.160 45 H ARG 5 HN ARG 5 58.707 5.205 2.056 46 HA ARG 5 HA ARG 5 57.547 5.571 4.030 47 HB2 ARG 5 HB2 ARG 5 57.843 8.446 3.077 48 HB3 ARG 5 HB1 ARG 5 57.288 7.979 4.703 49 HG2 ARG 5 HG2 ARG 5 59.381 6.866 5.182 50 HG3 ARG 5 HG1 ARG 5 59.924 7.043 3.496 51 HD2 ARG 5 HD2 ARG 5 60.945 8.738 5.054 52 HD3 ARG 5 HD1 ARG 5 60.017 9.469 3.721 53 HE ARG 5 HE ARG 5 58.405 9.061 6.122 54 HH11 ARG 5 HH11 ARG 5 61.042 10.691 6.618 55 HH12 ARG 5 HH12 ARG 5 60.408 12.300 6.512 56 HH21 ARG 5 HH21 ARG 5 57.414 11.310 5.071 57 HH22 ARG 5 HH22 ARG 5 58.355 12.650 5.636 58 H LYS 6 HN LYS 6 56.085 8.428 2.545 59 HA LYS 6 HA LYS 6 53.533 6.955 2.051 60 HB2 LYS 6 HB2 LYS 6 53.617 9.428 3.822 61 HB3 LYS 6 HB1 LYS 6 52.219 8.387 3.464 62 HG2 LYS 6 HG2 LYS 6 53.472 6.473 4.557 63 HG3 LYS 6 HG1 LYS 6 54.702 7.653 5.070 64 HD2 LYS 6 HD2 LYS 6 52.964 8.950 6.268 65 HD3 LYS 6 HD1 LYS 6 51.734 7.767 5.762 66 HE2 LYS 6 HE2 LYS 6 54.220 7.013 7.348 67 HE3 LYS 6 HE1 LYS 6 52.660 7.412 8.107 68 HZ1 LYS 6 HZ1 LYS 6 52.881 5.034 7.780 69 HZ2 LYS 6 HZ2 LYS 6 53.139 5.249 6.114 70 HZ3 LYS 6 HZ3 LYS 6 51.635 5.640 6.801 71 H TRP 7 HN TRP 7 54.904 7.713 -0.013 72 HA TRP 7 HA TRP 7 53.653 10.322 -0.884 73 HB2 TRP 7 HB2 TRP 7 56.122 10.541 -0.556 74 HB3 TRP 7 HB1 TRP 7 56.367 9.221 -1.725 75 HD1 TRP 7 HD1 TRP 7 56.600 9.940 -4.148 76 HE1 TRP 7 HE1 TRP 7 56.032 12.047 -5.564 77 HE3 TRP 7 HE3 TRP 7 54.176 12.686 -0.573 78 HZ2 TRP 7 HZ2 TRP 7 54.701 14.568 -5.166 79 HZ3 TRP 7 HZ3 TRP 7 53.264 14.939 -1.112 80 HH2 TRP 7 HH2 TRP 7 53.524 15.883 -3.404 81 H LEU 8 HN LEU 8 53.798 7.006 -1.194 82 HA LEU 8 HA LEU 8 53.406 6.932 -4.133 83 HB2 LEU 8 HB2 LEU 8 52.872 4.393 -3.410 84 HB3 LEU 8 HB1 LEU 8 54.538 4.997 -3.529 85 HG LEU 8 HG LEU 8 54.599 5.426 -1.114 86 HD11 LEU 8 HD11 LEU 8 52.349 6.041 -0.563 87 HD12 LEU 8 HD12 LEU 8 52.616 4.488 0.257 88 HD13 LEU 8 HD13 LEU 8 51.687 4.545 -1.261 89 HD21 LEU 8 HD21 LEU 8 53.441 2.657 -1.639 90 HD22 LEU 8 HD22 LEU 8 54.599 3.121 -0.369 91 HD23 LEU 8 HD23 LEU 8 55.099 3.134 -2.078 92 H ARG 9 HN ARG 9 51.543 8.124 -1.841 93 HA ARG 9 HA ARG 9 49.269 8.418 -1.606 94 HB2 ARG 9 HB2 ARG 9 48.988 7.107 -4.332 95 HB3 ARG 9 HB1 ARG 9 47.889 8.273 -3.559 96 HG2 ARG 9 HG2 ARG 9 50.766 8.835 -4.413 97 HG3 ARG 9 HG1 ARG 9 49.302 9.386 -5.261 98 HD2 ARG 9 HD2 ARG 9 48.653 10.456 -2.947 99 HD3 ARG 9 HD1 ARG 9 50.383 10.266 -2.568 100 HE ARG 9 HE ARG 9 50.363 11.509 -5.055 101 HH11 ARG 9 HH11 ARG 9 49.834 13.705 -5.441 102 HH12 ARG 9 HH12 ARG 9 49.453 14.716 -4.085 103 HH21 ARG 9 HH21 ARG 9 49.491 12.111 -1.795 104 HH22 ARG 9 HH22 ARG 9 49.259 13.813 -2.022 105 H ARG 10 HN ARG 10 50.211 6.239 -0.265 106 HA ARG 10 HA ARG 10 49.030 3.738 -0.834 107 HB2 ARG 10 HB2 ARG 10 48.858 3.747 1.885 108 HB3 ARG 10 HB1 ARG 10 50.405 3.567 1.029 109 HG2 ARG 10 HG2 ARG 10 51.029 5.820 1.394 110 HG3 ARG 10 HG1 ARG 10 49.365 6.338 1.730 111 HD2 ARG 10 HD2 ARG 10 50.817 6.177 3.789 112 HD3 ARG 10 HD1 ARG 10 49.363 5.154 3.858 113 HE ARG 10 HE ARG 10 51.684 3.735 2.797 114 HH11 ARG 10 HH11 ARG 10 49.416 2.749 4.638 115 HH12 ARG 10 HH12 ARG 10 50.308 2.408 6.083 116 HH21 ARG 10 HH21 ARG 10 53.115 4.184 5.088 117 HH22 ARG 10 HH22 ARG 10 52.402 3.219 6.337 118 H ILE 11 HN ILE 11 47.704 5.885 1.699 119 HA ILE 11 HA ILE 11 44.950 5.017 0.914 120 HB ILE 11 HB ILE 11 45.546 4.750 3.300 121 HG12 ILE 11 HG12 ILE 11 43.683 7.155 3.037 122 HG13 ILE 11 HG11 ILE 11 43.211 5.529 2.499 123 HG21 ILE 11 HG21 ILE 11 46.154 6.659 4.685 124 HG22 ILE 11 HG22 ILE 11 45.936 7.777 3.319 125 HG23 ILE 11 HG23 ILE 11 47.265 6.596 3.301 126 HD11 ILE 11 HD1 ILE 11 42.378 5.743 4.728 127 HD12 ILE 11 HD2 ILE 11 43.900 6.447 5.315 128 HD13 ILE 11 HD3 ILE 11 43.828 4.726 4.868 129 H GLY 12 HN GLY 12 47.211 7.578 0.599 130 HA2 GLY 12 HA1 GLY 12 45.574 9.874 0.732 131 HA3 GLY 12 HA2 GLY 12 46.977 9.684 -0.340 132 H LYS 13 HN LYS 13 46.093 7.606 -1.965 133 HA LYS 13 HA LYS 13 44.704 8.910 -4.006 134 HB2 LYS 13 HB2 LYS 13 45.850 6.747 -4.286 135 HB3 LYS 13 HB1 LYS 13 44.619 5.956 -3.273 136 HG2 LYS 13 HG2 LYS 13 42.884 6.392 -4.886 137 HG3 LYS 13 HG1 LYS 13 43.941 7.477 -5.823 138 HD2 LYS 13 HD2 LYS 13 43.739 5.224 -6.878 139 HD3 LYS 13 HD1 LYS 13 45.412 5.590 -6.398 140 HE2 LYS 13 HE2 LYS 13 45.339 4.110 -4.551 141 HE3 LYS 13 HE1 LYS 13 43.559 4.092 -4.512 142 HZ1 LYS 13 HZ1 LYS 13 45.406 2.604 -6.215 143 HZ2 LYS 13 HZ2 LYS 13 43.974 3.150 -6.948 144 HZ3 LYS 13 HZ3 LYS 13 43.901 2.147 -5.580 145 H GLY 14 HN GLY 14 43.537 7.804 -0.984 146 HA2 GLY 14 HA1 GLY 14 40.694 7.746 -1.886 147 HA3 GLY 14 HA2 GLY 14 41.325 7.221 -0.314 148 H VAL 15 HN VAL 15 42.887 9.485 0.388 149 HA VAL 15 HA VAL 15 40.652 11.461 0.850 150 HB VAL 15 HB VAL 15 42.118 12.252 2.769 151 HG11 VAL 15 HG11 VAL 15 40.181 10.786 3.136 152 HG12 VAL 15 HG12 VAL 15 41.513 10.311 4.217 153 HG13 VAL 15 HG13 VAL 15 41.167 9.353 2.757 154 HG21 VAL 15 HG21 VAL 15 43.811 10.572 3.576 155 HG22 VAL 15 HG22 VAL 15 44.275 11.350 2.046 156 HG23 VAL 15 HG23 VAL 15 43.619 9.695 2.041 157 H LYS 16 HN LYS 16 44.168 11.258 0.051 158 HA LYS 16 HA LYS 16 44.545 14.066 -0.239 159 HB2 LYS 16 HB2 LYS 16 45.879 11.692 -1.585 160 HB3 LYS 16 HB1 LYS 16 46.395 13.362 -1.888 161 HG2 LYS 16 HG2 LYS 16 46.137 12.358 0.973 162 HG3 LYS 16 HG1 LYS 16 47.580 11.950 0.021 163 HD2 LYS 16 HD2 LYS 16 47.889 14.424 -0.444 164 HD3 LYS 16 HD1 LYS 16 46.567 14.747 0.703 165 HE2 LYS 16 HE2 LYS 16 49.165 13.278 1.323 166 HE3 LYS 16 HE1 LYS 16 48.742 14.928 1.838 167 HZ1 LYS 16 HZ1 LYS 16 46.679 13.778 2.840 168 HZ2 LYS 16 HZ2 LYS 16 48.164 13.648 3.655 169 HZ3 LYS 16 HZ3 LYS 16 47.591 12.353 2.717 170 H ILE 17 HN ILE 17 43.155 11.632 -2.386 171 HA ILE 17 HA ILE 17 43.144 13.194 -4.779 172 HB ILE 17 HB ILE 17 42.613 10.726 -4.609 173 HG12 ILE 17 HG12 ILE 17 40.309 12.206 -5.957 174 HG13 ILE 17 HG11 ILE 17 41.965 12.301 -6.589 175 HG21 ILE 17 HG21 ILE 17 41.075 11.043 -2.609 176 HG22 ILE 17 HG22 ILE 17 40.430 9.991 -3.889 177 HG23 ILE 17 HG23 ILE 17 39.844 11.662 -3.734 178 HD11 ILE 17 HD1 ILE 17 40.277 9.790 -6.227 179 HD12 ILE 17 HD2 ILE 17 42.003 9.769 -6.658 180 HD13 ILE 17 HD3 ILE 17 40.819 10.514 -7.756 181 H ILE 18 HN ILE 18 41.787 13.929 -1.854 182 HA ILE 18 HA ILE 18 40.260 15.524 -1.187 183 HB ILE 18 HB ILE 18 39.936 16.359 -4.101 184 HG12 ILE 18 HG12 ILE 18 42.113 17.097 -2.090 185 HG13 ILE 18 HG11 ILE 18 42.342 16.252 -3.637 186 HG21 ILE 18 HG21 ILE 18 38.427 17.268 -2.224 187 HG22 ILE 18 HG22 ILE 18 39.310 18.480 -3.179 188 HG23 ILE 18 HG23 ILE 18 39.888 18.031 -1.556 189 HD11 ILE 18 HD1 ILE 18 41.575 19.150 -3.160 190 HD12 ILE 18 HD2 ILE 18 41.244 18.355 -4.720 191 HD13 ILE 18 HD3 ILE 18 42.917 18.499 -4.129 192 H GLY 19 HN GLY 19 38.780 13.941 -0.548 193 HA2 GLY 19 HA1 GLY 19 36.188 14.183 -1.696 194 HA3 GLY 19 HA2 GLY 19 36.917 12.681 -2.298 195 H GLY 20 HN GLY 20 37.699 14.017 0.860 196 HA2 GLY 20 HA1 GLY 20 35.717 12.609 2.367 197 HA3 GLY 20 HA2 GLY 20 37.169 11.596 2.229 198 H ALA 21 HN ALA 21 37.522 11.708 4.476 199 HA ALA 21 HA ALA 21 38.381 12.640 6.422 200 HB1 ALA 21 HB1 ALA 21 40.398 12.857 5.138 201 HB2 ALA 21 HB2 ALA 21 40.189 14.369 6.054 202 HB3 ALA 21 HB3 ALA 21 39.791 14.316 4.320 203 H ALA 22 HN ALA 22 38.690 15.746 4.794 204 HA ALA 22 HA ALA 22 37.055 17.023 6.849 205 HB1 ALA 22 HB1 ALA 22 38.979 18.179 5.909 206 HB2 ALA 22 HB2 ALA 22 37.495 19.079 5.512 207 HB3 ALA 22 HB3 ALA 22 38.285 18.071 4.275 208 H LEU 23 HN LEU 23 36.685 16.149 3.420 209 HA LEU 23 HA LEU 23 34.051 17.423 3.213 210 HB2 LEU 23 HB2 LEU 23 35.694 15.591 1.431 211 HB3 LEU 23 HB1 LEU 23 34.024 16.045 1.015 212 HG LEU 23 HG LEU 23 34.640 18.439 1.110 213 HD11 LEU 23 HD11 LEU 23 37.338 17.289 1.922 214 HD12 LEU 23 HD12 LEU 23 36.391 18.575 2.710 215 HD13 LEU 23 HD13 LEU 23 37.208 18.896 1.166 216 HD21 LEU 23 HD21 LEU 23 36.111 18.456 -0.897 217 HD22 LEU 23 HD22 LEU 23 34.846 17.211 -1.026 218 HD23 LEU 23 HD23 LEU 23 36.512 16.747 -0.608 219 H ASP 24 HN ASP 24 33.281 16.304 5.235 220 HA ASP 24 HA ASP 24 31.522 14.141 4.465 221 HB2 ASP 24 HB2 ASP 24 33.596 12.814 4.666 222 HB3 ASP 24 HB1 ASP 24 33.827 13.426 6.323 223 H HIS 25 HN HIS 25 33.002 16.268 6.799 224 HA HIS 25 HA HIS 25 31.124 15.629 8.960 225 HB2 HIS 25 HB2 HIS 25 33.086 17.913 8.515 226 HB3 HIS 25 HB1 HIS 25 32.099 17.722 9.984 227 HD1 HIS 25 HD1 HIS 25 32.416 14.410 9.621 228 HD2 HIS 25 HD2 HIS 25 35.437 17.297 10.097 229 HE1 HIS 25 HE1 HIS 25 34.460 13.222 10.590 230 H LEU 26 HN LEU 26 29.629 16.029 6.690 231 HA LEU 26 HA LEU 26 28.726 18.783 6.463 232 HB2 LEU 26 HB2 LEU 26 27.131 16.318 5.685 233 HB3 LEU 26 HB1 LEU 26 27.096 17.940 4.953 234 HG LEU 26 HG LEU 26 29.422 15.967 4.868 235 HD11 LEU 26 HD11 LEU 26 27.544 17.037 2.714 236 HD12 LEU 26 HD12 LEU 26 27.548 15.384 3.375 237 HD13 LEU 26 HD13 LEU 26 28.938 15.969 2.428 238 HD21 LEU 26 HD21 LEU 26 30.400 18.150 4.936 239 HD22 LEU 26 HD22 LEU 26 29.115 18.847 3.921 240 HD23 LEU 26 HD23 LEU 26 30.316 17.745 3.207 Start of MODEL 45 1 H1 GLY 1 HT1 GLY 1 61.994 14.039 6.088 2 H2 GLY 1 HT2 GLY 1 60.538 14.302 5.253 3 H3 GLY 1 HT3 GLY 1 62.026 14.435 4.441 4 HA2 GLY 1 HA1 GLY 1 62.132 12.317 4.016 5 HA3 GLY 1 HA2 GLY 1 61.751 11.926 5.704 6 H ARG 2 HN ARG 2 60.565 12.263 2.465 7 HA ARG 2 HA ARG 2 58.175 10.742 3.130 8 HB2 ARG 2 HB2 ARG 2 56.564 12.508 2.317 9 HB3 ARG 2 HB1 ARG 2 57.306 12.862 3.896 10 HG2 ARG 2 HG2 ARG 2 58.996 14.299 2.763 11 HG3 ARG 2 HG1 ARG 2 58.205 13.975 1.201 12 HD2 ARG 2 HD2 ARG 2 57.370 16.098 2.025 13 HD3 ARG 2 HD1 ARG 2 56.063 14.900 2.186 14 HE ARG 2 HE ARG 2 56.206 15.167 4.528 15 HH11 ARG 2 HH11 ARG 2 57.104 17.889 4.456 16 HH12 ARG 2 HH12 ARG 2 58.652 17.860 5.231 17 HH21 ARG 2 HH21 ARG 2 59.053 14.433 4.890 18 HH22 ARG 2 HH22 ARG 2 59.755 15.903 5.478 19 H ARG 3 HN ARG 3 60.505 12.039 1.057 20 HA ARG 3 HA ARG 3 59.270 11.976 -1.483 21 HB2 ARG 3 HB2 ARG 3 62.068 10.978 -0.803 22 HB3 ARG 3 HB1 ARG 3 61.501 11.534 -2.392 23 HG2 ARG 3 HG2 ARG 3 61.367 13.350 0.051 24 HG3 ARG 3 HG1 ARG 3 62.854 13.209 -0.909 25 HD2 ARG 3 HD2 ARG 3 60.118 14.100 -1.927 26 HD3 ARG 3 HD1 ARG 3 61.560 15.114 -1.719 27 HE ARG 3 HE ARG 3 62.156 12.909 -3.473 28 HH11 ARG 3 HH11 ARG 3 63.243 14.369 -5.126 29 HH12 ARG 3 HH12 ARG 3 62.142 15.388 -5.993 30 HH21 ARG 3 HH21 ARG 3 59.518 14.882 -3.784 31 HH22 ARG 3 HH22 ARG 3 60.033 15.678 -5.234 32 H LYS 4 HN LYS 4 57.742 10.389 -1.723 33 HA LYS 4 HA LYS 4 56.923 8.273 -2.163 34 HB2 LYS 4 HB2 LYS 4 59.800 8.041 -3.093 35 HB3 LYS 4 HB1 LYS 4 58.704 6.646 -3.188 36 HG2 LYS 4 HG2 LYS 4 58.799 8.046 -5.297 37 HG3 LYS 4 HG1 LYS 4 57.166 7.856 -4.615 38 HD2 LYS 4 HD2 LYS 4 57.182 10.068 -3.688 39 HD3 LYS 4 HD1 LYS 4 58.933 10.247 -3.960 40 HE2 LYS 4 HE2 LYS 4 56.888 9.893 -6.194 41 HE3 LYS 4 HE1 LYS 4 57.509 11.470 -5.650 42 HZ1 LYS 4 HZ1 LYS 4 58.815 9.394 -7.206 43 HZ2 LYS 4 HZ2 LYS 4 59.780 10.105 -6.003 44 HZ3 LYS 4 HZ3 LYS 4 59.065 11.072 -7.203 45 H ARG 5 HN ARG 5 58.732 8.951 0.415 46 HA ARG 5 HA ARG 5 59.208 6.181 1.359 47 HB2 ARG 5 HB2 ARG 5 60.819 7.990 1.900 48 HB3 ARG 5 HB1 ARG 5 59.538 8.861 2.766 49 HG2 ARG 5 HG2 ARG 5 60.932 7.612 4.359 50 HG3 ARG 5 HG1 ARG 5 59.295 6.927 4.330 51 HD2 ARG 5 HD2 ARG 5 59.992 4.976 3.217 52 HD3 ARG 5 HD1 ARG 5 61.416 5.770 2.497 53 HE ARG 5 HE ARG 5 62.602 5.070 4.400 54 HH11 ARG 5 HH11 ARG 5 61.194 2.972 5.486 55 HH12 ARG 5 HH12 ARG 5 60.495 3.542 6.965 56 HH21 ARG 5 HH21 ARG 5 60.865 6.894 6.157 57 HH22 ARG 5 HH22 ARG 5 60.308 5.761 7.344 58 H LYS 6 HN LYS 6 56.990 5.479 1.205 59 HA LYS 6 HA LYS 6 54.905 5.049 2.118 60 HB2 LYS 6 HB2 LYS 6 56.095 6.211 4.669 61 HB3 LYS 6 HB1 LYS 6 54.695 5.118 4.542 62 HG2 LYS 6 HG2 LYS 6 56.272 3.454 3.381 63 HG3 LYS 6 HG1 LYS 6 57.609 4.505 3.906 64 HD2 LYS 6 HD2 LYS 6 55.537 3.241 5.756 65 HD3 LYS 6 HD1 LYS 6 57.194 2.642 5.513 66 HE2 LYS 6 HE2 LYS 6 57.947 5.043 6.194 67 HE3 LYS 6 HE1 LYS 6 56.289 5.232 6.813 68 HZ1 LYS 6 HZ1 LYS 6 57.463 2.745 7.600 69 HZ2 LYS 6 HZ2 LYS 6 56.752 3.956 8.555 70 HZ3 LYS 6 HZ3 LYS 6 58.391 4.065 8.122 71 H TRP 7 HN TRP 7 54.765 7.162 0.590 72 HA TRP 7 HA TRP 7 52.691 8.778 1.853 73 HB2 TRP 7 HB2 TRP 7 54.686 9.954 2.713 74 HB3 TRP 7 HB1 TRP 7 55.303 10.126 1.052 75 HD1 TRP 7 HD1 TRP 7 54.317 12.011 -0.423 76 HE1 TRP 7 HE1 TRP 7 52.624 13.947 -0.046 77 HE3 TRP 7 HE3 TRP 7 52.427 10.557 4.107 78 HZ2 TRP 7 HZ2 TRP 7 50.720 14.731 1.966 79 HZ3 TRP 7 HZ3 TRP 7 50.671 11.916 5.237 80 HH2 TRP 7 HH2 TRP 7 49.817 13.999 4.172 81 H LEU 8 HN LEU 8 54.077 7.226 -0.671 82 HA LEU 8 HA LEU 8 53.787 8.846 -2.925 83 HB2 LEU 8 HB2 LEU 8 52.713 6.077 -3.318 84 HB3 LEU 8 HB1 LEU 8 54.043 6.916 -4.140 85 HG LEU 8 HG LEU 8 55.312 6.590 -1.825 86 HD11 LEU 8 HD11 LEU 8 54.613 4.743 -0.486 87 HD12 LEU 8 HD12 LEU 8 53.439 4.191 -1.705 88 HD13 LEU 8 HD13 LEU 8 53.122 5.669 -0.772 89 HD21 LEU 8 HD21 LEU 8 56.083 5.536 -3.865 90 HD22 LEU 8 HD22 LEU 8 54.744 4.365 -3.828 91 HD23 LEU 8 HD23 LEU 8 56.031 4.284 -2.600 92 H ARG 9 HN ARG 9 51.242 6.416 -2.249 93 HA ARG 9 HA ARG 9 49.130 8.491 -2.373 94 HB2 ARG 9 HB2 ARG 9 49.485 6.310 -4.476 95 HB3 ARG 9 HB1 ARG 9 47.932 7.122 -4.186 96 HG2 ARG 9 HG2 ARG 9 50.527 8.530 -4.974 97 HG3 ARG 9 HG1 ARG 9 49.202 8.134 -6.078 98 HD2 ARG 9 HD2 ARG 9 47.742 9.478 -4.260 99 HD3 ARG 9 HD1 ARG 9 49.316 10.245 -3.932 100 HE ARG 9 HE ARG 9 49.129 11.337 -6.012 101 HH11 ARG 9 HH11 ARG 9 46.267 9.753 -5.484 102 HH12 ARG 9 HH12 ARG 9 45.841 9.554 -7.151 103 HH21 ARG 9 HH21 ARG 9 48.931 10.583 -8.338 104 HH22 ARG 9 HH22 ARG 9 47.349 10.024 -8.767 105 H ARG 10 HN ARG 10 50.395 6.225 -0.665 106 HA ARG 10 HA ARG 10 48.793 4.002 -0.363 107 HB2 ARG 10 HB2 ARG 10 49.113 4.520 2.248 108 HB3 ARG 10 HB1 ARG 10 50.499 4.088 1.222 109 HG2 ARG 10 HG2 ARG 10 51.274 6.315 1.077 110 HG3 ARG 10 HG1 ARG 10 49.703 7.007 1.529 111 HD2 ARG 10 HD2 ARG 10 49.990 6.014 3.831 112 HD3 ARG 10 HD1 ARG 10 51.620 5.487 3.352 113 HE ARG 10 HE ARG 10 52.313 7.699 3.748 114 HH11 ARG 10 HH11 ARG 10 50.763 8.888 1.499 115 HH12 ARG 10 HH12 ARG 10 49.730 10.015 2.314 116 HH21 ARG 10 HH21 ARG 10 50.204 8.596 5.442 117 HH22 ARG 10 HH22 ARG 10 49.414 9.849 4.546 118 H ILE 11 HN ILE 11 48.131 6.463 2.087 119 HA ILE 11 HA ILE 11 45.253 5.847 1.905 120 HB ILE 11 HB ILE 11 46.366 6.164 4.112 121 HG12 ILE 11 HG12 ILE 11 44.388 8.424 3.553 122 HG13 ILE 11 HG11 ILE 11 43.908 6.716 3.674 123 HG21 ILE 11 HG21 ILE 11 46.625 9.095 3.316 124 HG22 ILE 11 HG22 ILE 11 47.970 7.935 3.218 125 HG23 ILE 11 HG23 ILE 11 47.233 8.308 4.792 126 HD11 ILE 11 HD1 ILE 11 45.124 8.482 5.831 127 HD12 ILE 11 HD2 ILE 11 45.065 6.708 5.976 128 HD13 ILE 11 HD3 ILE 11 43.557 7.643 5.849 129 H GLY 12 HN GLY 12 47.486 8.124 0.578 130 HA2 GLY 12 HA1 GLY 12 45.844 10.433 0.377 131 HA3 GLY 12 HA2 GLY 12 47.127 9.981 -0.770 132 H LYS 13 HN LYS 13 46.050 7.530 -1.678 133 HA LYS 13 HA LYS 13 44.404 8.367 -3.803 134 HB2 LYS 13 HB2 LYS 13 45.508 6.223 -3.858 135 HB3 LYS 13 HB1 LYS 13 44.658 5.680 -2.398 136 HG2 LYS 13 HG2 LYS 13 42.893 6.536 -4.685 137 HG3 LYS 13 HG1 LYS 13 43.839 5.063 -4.965 138 HD2 LYS 13 HD2 LYS 13 42.277 5.373 -2.374 139 HD3 LYS 13 HD1 LYS 13 41.446 4.867 -3.861 140 HE2 LYS 13 HE2 LYS 13 43.881 3.486 -2.638 141 HE3 LYS 13 HE1 LYS 13 42.201 2.914 -2.526 142 HZ1 LYS 13 HZ1 LYS 13 43.220 1.776 -4.318 143 HZ2 LYS 13 HZ2 LYS 13 43.856 3.206 -4.978 144 HZ3 LYS 13 HZ3 LYS 13 42.181 2.923 -5.011 145 H GLY 14 HN GLY 14 43.694 7.961 -0.473 146 HA2 GLY 14 HA1 GLY 14 40.761 7.713 -0.907 147 HA3 GLY 14 HA2 GLY 14 41.626 7.629 0.639 148 H VAL 15 HN VAL 15 43.152 9.983 0.561 149 HA VAL 15 HA VAL 15 40.930 12.014 0.767 150 HB VAL 15 HB VAL 15 42.615 13.285 2.189 151 HG11 VAL 15 HG11 VAL 15 40.780 11.931 3.159 152 HG12 VAL 15 HG12 VAL 15 42.242 11.849 4.172 153 HG13 VAL 15 HG13 VAL 15 41.817 10.486 3.108 154 HG21 VAL 15 HG21 VAL 15 44.456 11.874 3.170 155 HG22 VAL 15 HG22 VAL 15 44.687 12.218 1.441 156 HG23 VAL 15 HG23 VAL 15 44.093 10.623 1.962 157 H LYS 16 HN LYS 16 44.288 11.561 -0.407 158 HA LYS 16 HA LYS 16 44.608 14.170 -1.489 159 HB2 LYS 16 HB2 LYS 16 46.375 12.337 -1.230 160 HB3 LYS 16 HB1 LYS 16 45.724 11.625 -2.725 161 HG2 LYS 16 HG2 LYS 16 46.082 13.863 -3.854 162 HG3 LYS 16 HG1 LYS 16 46.914 14.411 -2.380 163 HD2 LYS 16 HD2 LYS 16 48.450 12.393 -2.625 164 HD3 LYS 16 HD1 LYS 16 47.722 12.130 -4.228 165 HE2 LYS 16 HE2 LYS 16 48.401 14.403 -4.922 166 HE3 LYS 16 HE1 LYS 16 49.112 14.688 -3.316 167 HZ1 LYS 16 HZ1 LYS 16 50.770 13.121 -3.692 168 HZ2 LYS 16 HZ2 LYS 16 50.640 13.906 -5.193 169 HZ3 LYS 16 HZ3 LYS 16 49.938 12.375 -4.968 170 H ILE 17 HN ILE 17 42.930 11.302 -2.703 171 HA ILE 17 HA ILE 17 42.643 12.149 -5.419 172 HB ILE 17 HB ILE 17 42.131 9.844 -4.521 173 HG12 ILE 17 HG12 ILE 17 39.666 10.971 -5.927 174 HG13 ILE 17 HG11 ILE 17 41.229 10.856 -6.762 175 HG21 ILE 17 HG21 ILE 17 40.058 9.409 -3.366 176 HG22 ILE 17 HG22 ILE 17 39.498 11.081 -3.603 177 HG23 ILE 17 HG23 ILE 17 40.861 10.744 -2.513 178 HD11 ILE 17 HD1 ILE 17 41.289 8.401 -6.169 179 HD12 ILE 17 HD2 ILE 17 39.951 8.851 -7.249 180 HD13 ILE 17 HD3 ILE 17 39.641 8.569 -5.521 181 H ILE 18 HN ILE 18 41.677 13.741 -2.695 182 HA ILE 18 HA ILE 18 40.241 15.513 -2.339 183 HB ILE 18 HB ILE 18 39.557 15.482 -5.309 184 HG12 ILE 18 HG12 ILE 18 41.967 16.702 -3.881 185 HG13 ILE 18 HG11 ILE 18 42.008 15.415 -5.107 186 HG21 ILE 18 HG21 ILE 18 38.307 16.957 -3.603 187 HG22 ILE 18 HG22 ILE 18 39.045 17.794 -4.986 188 HG23 ILE 18 HG23 ILE 18 39.843 17.829 -3.395 189 HD11 ILE 18 HD1 ILE 18 40.793 17.118 -6.656 190 HD12 ILE 18 HD2 ILE 18 42.521 17.387 -6.325 191 HD13 ILE 18 HD3 ILE 18 41.293 18.343 -5.464 192 H GLY 19 HN GLY 19 38.958 13.950 -1.156 193 HA2 GLY 19 HA1 GLY 19 36.635 12.764 -2.516 194 HA3 GLY 19 HA2 GLY 19 37.039 12.661 -0.792 195 H GLY 20 HN GLY 20 37.343 15.848 -1.485 196 HA2 GLY 20 HA1 GLY 20 34.707 16.812 -1.810 197 HA3 GLY 20 HA2 GLY 20 34.948 16.552 -0.070 198 H ALA 21 HN ALA 21 37.858 17.243 -1.705 199 HA ALA 21 HA ALA 21 39.283 19.067 -1.457 200 HB1 ALA 21 HB1 ALA 21 37.988 19.856 -3.351 201 HB2 ALA 21 HB2 ALA 21 38.321 21.230 -2.267 202 HB3 ALA 21 HB3 ALA 21 36.711 20.467 -2.271 203 H ALA 22 HN ALA 22 37.432 18.224 0.841 204 HA ALA 22 HA ALA 22 38.305 20.359 2.669 205 HB1 ALA 22 HB1 ALA 22 35.355 19.755 2.239 206 HB2 ALA 22 HB2 ALA 22 36.182 21.300 1.925 207 HB3 ALA 22 HB3 ALA 22 36.015 20.701 3.593 208 H LEU 23 HN LEU 23 36.829 17.284 1.903 209 HA LEU 23 HA LEU 23 36.851 16.345 4.697 210 HB2 LEU 23 HB2 LEU 23 35.187 15.612 2.895 211 HB3 LEU 23 HB1 LEU 23 36.527 14.718 2.149 212 HG LEU 23 HG LEU 23 36.842 13.670 4.563 213 HD11 LEU 23 HD11 LEU 23 33.967 14.697 4.663 214 HD12 LEU 23 HD12 LEU 23 35.277 15.051 5.813 215 HD13 LEU 23 HD13 LEU 23 34.598 13.413 5.716 216 HD21 LEU 23 HD21 LEU 23 35.213 11.881 3.994 217 HD22 LEU 23 HD22 LEU 23 36.134 12.402 2.562 218 HD23 LEU 23 HD23 LEU 23 34.459 12.955 2.793 219 H ASP 24 HN ASP 24 39.288 17.237 4.420 220 HA ASP 24 HA ASP 24 40.938 14.753 4.226 221 HB2 ASP 24 HB2 ASP 24 42.612 15.837 2.830 222 HB3 ASP 24 HB1 ASP 24 41.037 15.907 1.999 223 H HIS 25 HN HIS 25 40.083 17.722 5.663 224 HA HIS 25 HA HIS 25 42.664 18.189 7.001 225 HB2 HIS 25 HB2 HIS 25 39.893 19.366 7.453 226 HB3 HIS 25 HB1 HIS 25 41.387 19.925 8.242 227 HD1 HIS 25 HD1 HIS 25 43.254 19.576 5.679 228 HD2 HIS 25 HD2 HIS 25 39.620 21.685 5.840 229 HE1 HIS 25 HE1 HIS 25 43.256 21.245 3.746 230 H LEU 26 HN LEU 26 41.372 15.533 7.316 231 HA LEU 26 HA LEU 26 40.237 15.417 9.985 232 HB2 LEU 26 HB2 LEU 26 41.383 13.360 8.067 233 HB3 LEU 26 HB1 LEU 26 40.850 12.906 9.702 234 HG LEU 26 HG LEU 26 38.599 13.769 9.246 235 HD11 LEU 26 HD11 LEU 26 39.878 14.646 6.629 236 HD12 LEU 26 HD12 LEU 26 38.931 15.615 7.785 237 HD13 LEU 26 HD13 LEU 26 38.120 14.403 6.768 238 HD21 LEU 26 HD21 LEU 26 37.938 12.135 7.499 239 HD22 LEU 26 HD22 LEU 26 39.134 11.432 8.615 240 HD23 LEU 26 HD23 LEU 26 39.640 11.982 6.999 Start of MODEL 46 1 H1 GLY 1 HT1 GLY 1 55.033 0.155 -1.745 2 H2 GLY 1 HT2 GLY 1 56.034 0.530 -3.065 3 H3 GLY 1 HT3 GLY 1 55.501 1.761 -2.021 4 HA2 GLY 1 HA1 GLY 1 56.710 -0.070 -0.406 5 HA3 GLY 1 HA2 GLY 1 57.749 0.077 -1.837 6 H ARG 2 HN ARG 2 59.029 0.883 0.221 7 HA ARG 2 HA ARG 2 58.456 3.630 1.024 8 HB2 ARG 2 HB2 ARG 2 60.936 1.892 1.339 9 HB3 ARG 2 HB1 ARG 2 60.705 3.484 2.102 10 HG2 ARG 2 HG2 ARG 2 58.597 2.590 3.169 11 HG3 ARG 2 HG1 ARG 2 59.015 0.982 2.528 12 HD2 ARG 2 HD2 ARG 2 61.256 1.203 3.715 13 HD3 ARG 2 HD1 ARG 2 60.609 2.659 4.509 14 HE ARG 2 HE ARG 2 58.796 0.438 4.854 15 HH11 ARG 2 HH11 ARG 2 60.355 2.584 6.680 16 HH12 ARG 2 HH12 ARG 2 60.956 1.490 7.881 17 HH21 ARG 2 HH21 ARG 2 60.202 -1.356 6.051 18 HH22 ARG 2 HH22 ARG 2 60.870 -0.740 7.526 19 H ARG 3 HN ARG 3 58.808 5.389 -0.148 20 HA ARG 3 HA ARG 3 61.314 5.772 -1.573 21 HB2 ARG 3 HB2 ARG 3 60.111 4.314 -3.198 22 HB3 ARG 3 HB1 ARG 3 58.789 5.503 -3.252 23 HG2 ARG 3 HG2 ARG 3 60.240 7.200 -4.169 24 HG3 ARG 3 HG1 ARG 3 61.687 6.203 -3.878 25 HD2 ARG 3 HD2 ARG 3 59.403 5.413 -5.736 26 HD3 ARG 3 HD1 ARG 3 60.918 6.174 -6.275 27 HE ARG 3 HE ARG 3 61.585 3.879 -4.722 28 HH11 ARG 3 HH11 ARG 3 59.115 3.588 -6.821 29 HH12 ARG 3 HH12 ARG 3 59.946 2.653 -8.019 30 HH21 ARG 3 HH21 ARG 3 63.082 3.176 -6.638 31 HH22 ARG 3 HH22 ARG 3 62.191 2.420 -7.915 32 H LYS 4 HN LYS 4 58.219 6.732 -0.405 33 HA LYS 4 HA LYS 4 59.007 9.612 -0.735 34 HB2 LYS 4 HB2 LYS 4 56.175 8.608 -1.201 35 HB3 LYS 4 HB1 LYS 4 56.821 10.243 -1.482 36 HG2 LYS 4 HG2 LYS 4 58.363 9.298 -3.214 37 HG3 LYS 4 HG1 LYS 4 57.605 7.704 -2.980 38 HD2 LYS 4 HD2 LYS 4 55.390 8.709 -3.578 39 HD3 LYS 4 HD1 LYS 4 56.211 10.254 -3.908 40 HE2 LYS 4 HE2 LYS 4 56.825 7.608 -5.295 41 HE3 LYS 4 HE1 LYS 4 55.857 8.929 -5.989 42 HZ1 LYS 4 HZ1 LYS 4 58.747 8.869 -5.370 43 HZ2 LYS 4 HZ2 LYS 4 57.917 10.350 -5.454 44 HZ3 LYS 4 HZ3 LYS 4 57.970 9.325 -6.808 45 H ARG 5 HN ARG 5 59.287 7.861 1.512 46 HA ARG 5 HA ARG 5 58.720 7.720 3.760 47 HB2 ARG 5 HB2 ARG 5 57.897 10.596 3.174 48 HB3 ARG 5 HB1 ARG 5 58.011 9.903 4.805 49 HG2 ARG 5 HG2 ARG 5 60.150 10.824 4.638 50 HG3 ARG 5 HG1 ARG 5 60.487 9.218 3.962 51 HD2 ARG 5 HD2 ARG 5 61.460 10.927 2.510 52 HD3 ARG 5 HD1 ARG 5 60.098 10.163 1.660 53 HE ARG 5 HE ARG 5 58.963 12.362 2.933 54 HH11 ARG 5 HH11 ARG 5 61.991 13.101 2.260 55 HH12 ARG 5 HH12 ARG 5 61.716 14.070 0.852 56 HH21 ARG 5 HH21 ARG 5 58.421 13.059 0.474 57 HH22 ARG 5 HH22 ARG 5 59.695 14.047 -0.159 58 H LYS 6 HN LYS 6 56.819 6.555 2.120 59 HA LYS 6 HA LYS 6 54.618 5.830 2.135 60 HB2 LYS 6 HB2 LYS 6 54.591 6.923 4.973 61 HB3 LYS 6 HB1 LYS 6 53.537 5.656 4.298 62 HG2 LYS 6 HG2 LYS 6 55.640 4.313 3.800 63 HG3 LYS 6 HG1 LYS 6 56.549 5.521 4.740 64 HD2 LYS 6 HD2 LYS 6 55.213 5.047 6.732 65 HD3 LYS 6 HD1 LYS 6 54.171 3.936 5.808 66 HE2 LYS 6 HE2 LYS 6 57.178 3.560 6.128 67 HE3 LYS 6 HE1 LYS 6 55.965 2.781 7.173 68 HZ1 LYS 6 HZ1 LYS 6 55.730 1.225 5.632 69 HZ2 LYS 6 HZ2 LYS 6 56.840 2.006 4.609 70 HZ3 LYS 6 HZ3 LYS 6 55.186 2.384 4.520 71 H TRP 7 HN TRP 7 54.179 7.542 0.557 72 HA TRP 7 HA TRP 7 51.851 9.092 1.399 73 HB2 TRP 7 HB2 TRP 7 54.458 10.504 0.705 74 HB3 TRP 7 HB1 TRP 7 52.872 11.291 0.537 75 HD1 TRP 7 HD1 TRP 7 55.555 10.827 2.964 76 HE1 TRP 7 HE1 TRP 7 54.794 11.384 5.388 77 HE3 TRP 7 HE3 TRP 7 50.493 10.913 2.216 78 HZ2 TRP 7 HZ2 TRP 7 52.308 11.805 6.779 79 HZ3 TRP 7 HZ3 TRP 7 48.945 11.395 4.106 80 HH2 TRP 7 HH2 TRP 7 49.847 11.840 6.385 81 H LEU 8 HN LEU 8 53.254 7.119 -0.622 82 HA LEU 8 HA LEU 8 53.069 8.304 -3.209 83 HB2 LEU 8 HB2 LEU 8 52.583 5.808 -3.891 84 HB3 LEU 8 HB1 LEU 8 54.162 6.228 -3.195 85 HG LEU 8 HG LEU 8 52.060 5.514 -1.169 86 HD11 LEU 8 HD11 LEU 8 52.476 3.028 -1.581 87 HD12 LEU 8 HD12 LEU 8 53.092 3.488 -3.187 88 HD13 LEU 8 HD13 LEU 8 51.403 3.840 -2.744 89 HD21 LEU 8 HD21 LEU 8 54.601 5.947 -0.822 90 HD22 LEU 8 HD22 LEU 8 54.842 4.332 -1.522 91 HD23 LEU 8 HD23 LEU 8 53.896 4.521 -0.027 92 H ARG 9 HN ARG 9 50.854 5.645 -2.533 93 HA ARG 9 HA ARG 9 48.486 7.432 -2.916 94 HB2 ARG 9 HB2 ARG 9 49.222 5.072 -4.695 95 HB3 ARG 9 HB1 ARG 9 47.600 5.790 -4.635 96 HG2 ARG 9 HG2 ARG 9 50.151 7.324 -5.329 97 HG3 ARG 9 HG1 ARG 9 49.015 6.665 -6.521 98 HD2 ARG 9 HD2 ARG 9 47.217 8.060 -5.111 99 HD3 ARG 9 HD1 ARG 9 48.655 8.999 -4.640 100 HE ARG 9 HE ARG 9 48.764 8.703 -7.446 101 HH11 ARG 9 HH11 ARG 9 48.789 11.057 -7.999 102 HH12 ARG 9 HH12 ARG 9 47.298 11.891 -7.714 103 HH21 ARG 9 HH21 ARG 9 45.938 9.346 -5.789 104 HH22 ARG 9 HH22 ARG 9 45.684 10.923 -6.460 105 H ARG 10 HN ARG 10 49.872 5.441 -0.872 106 HA ARG 10 HA ARG 10 48.303 3.161 -0.510 107 HB2 ARG 10 HB2 ARG 10 48.541 3.874 2.094 108 HB3 ARG 10 HB1 ARG 10 49.924 3.291 1.142 109 HG2 ARG 10 HG2 ARG 10 50.742 5.493 0.763 110 HG3 ARG 10 HG1 ARG 10 49.225 6.248 1.293 111 HD2 ARG 10 HD2 ARG 10 51.314 6.146 2.945 112 HD3 ARG 10 HD1 ARG 10 49.672 5.863 3.567 113 HE ARG 10 HE ARG 10 50.289 3.622 3.980 114 HH11 ARG 10 HH11 ARG 10 52.505 5.204 1.868 115 HH12 ARG 10 HH12 ARG 10 53.586 3.854 1.775 116 HH21 ARG 10 HH21 ARG 10 51.658 1.830 3.826 117 HH22 ARG 10 HH22 ARG 10 53.107 1.944 2.884 118 H ILE 11 HN ILE 11 47.547 5.828 1.726 119 HA ILE 11 HA ILE 11 44.648 5.215 1.335 120 HB ILE 11 HB ILE 11 44.370 6.763 3.327 121 HG12 ILE 11 HG12 ILE 11 47.399 6.507 3.599 122 HG13 ILE 11 HG11 ILE 11 46.643 7.924 2.845 123 HG21 ILE 11 HG21 ILE 11 46.294 4.435 3.776 124 HG22 ILE 11 HG22 ILE 11 44.548 4.252 3.482 125 HG23 ILE 11 HG23 ILE 11 45.119 5.092 4.939 126 HD11 ILE 11 HD1 ILE 11 46.328 6.944 5.709 127 HD12 ILE 11 HD2 ILE 11 45.236 8.147 4.984 128 HD13 ILE 11 HD3 ILE 11 46.970 8.501 5.144 129 H GLY 12 HN GLY 12 47.036 7.350 0.212 130 HA2 GLY 12 HA1 GLY 12 45.661 9.824 0.108 131 HA3 GLY 12 HA2 GLY 12 46.879 9.277 -1.064 132 H LYS 13 HN LYS 13 45.396 6.923 -1.877 133 HA LYS 13 HA LYS 13 43.988 7.907 -4.095 134 HB2 LYS 13 HB2 LYS 13 44.692 5.553 -3.806 135 HB3 LYS 13 HB1 LYS 13 43.466 5.347 -2.532 136 HG2 LYS 13 HG2 LYS 13 41.661 5.685 -4.086 137 HG3 LYS 13 HG1 LYS 13 42.773 6.249 -5.354 138 HD2 LYS 13 HD2 LYS 13 42.029 3.886 -5.715 139 HD3 LYS 13 HD1 LYS 13 43.791 4.024 -5.509 140 HE2 LYS 13 HE2 LYS 13 42.544 2.146 -4.189 141 HE3 LYS 13 HE1 LYS 13 43.727 3.142 -3.309 142 HZ1 LYS 13 HZ1 LYS 13 41.258 2.742 -2.448 143 HZ2 LYS 13 HZ2 LYS 13 40.976 4.124 -3.395 144 HZ3 LYS 13 HZ3 LYS 13 42.111 4.172 -2.133 145 H GLY 14 HN GLY 14 43.106 7.934 -0.781 146 HA2 GLY 14 HA1 GLY 14 40.200 8.315 -1.420 147 HA3 GLY 14 HA2 GLY 14 40.885 7.923 0.169 148 H VAL 15 HN VAL 15 42.942 9.817 0.383 149 HA VAL 15 HA VAL 15 41.271 12.309 0.637 150 HB VAL 15 HB VAL 15 43.074 13.044 2.233 151 HG11 VAL 15 HG11 VAL 15 42.380 11.467 4.040 152 HG12 VAL 15 HG12 VAL 15 41.689 10.387 2.806 153 HG13 VAL 15 HG13 VAL 15 41.003 12.009 3.053 154 HG21 VAL 15 HG21 VAL 15 44.034 10.181 1.789 155 HG22 VAL 15 HG22 VAL 15 44.600 11.250 3.092 156 HG23 VAL 15 HG23 VAL 15 44.927 11.670 1.395 157 H LYS 16 HN LYS 16 44.380 11.076 -0.614 158 HA LYS 16 HA LYS 16 45.308 13.697 -1.437 159 HB2 LYS 16 HB2 LYS 16 46.776 11.682 -1.050 160 HB3 LYS 16 HB1 LYS 16 46.132 10.996 -2.563 161 HG2 LYS 16 HG2 LYS 16 46.934 12.954 -3.823 162 HG3 LYS 16 HG1 LYS 16 47.525 13.700 -2.320 163 HD2 LYS 16 HD2 LYS 16 49.135 11.903 -1.993 164 HD3 LYS 16 HD1 LYS 16 48.468 11.001 -3.376 165 HE2 LYS 16 HE2 LYS 16 49.177 12.738 -4.927 166 HE3 LYS 16 HE1 LYS 16 49.689 13.786 -3.584 167 HZ1 LYS 16 HZ1 LYS 16 50.847 11.120 -3.612 168 HZ2 LYS 16 HZ2 LYS 16 51.570 12.622 -3.282 169 HZ3 LYS 16 HZ3 LYS 16 51.325 12.128 -4.890 170 H ILE 17 HN ILE 17 43.411 11.112 -2.968 171 HA ILE 17 HA ILE 17 43.576 11.906 -5.650 172 HB ILE 17 HB ILE 17 42.328 9.898 -4.743 173 HG12 ILE 17 HG12 ILE 17 40.789 11.707 -6.664 174 HG13 ILE 17 HG11 ILE 17 42.158 10.660 -7.108 175 HG21 ILE 17 HG21 ILE 17 39.937 11.741 -4.448 176 HG22 ILE 17 HG22 ILE 17 41.016 11.438 -3.066 177 HG23 ILE 17 HG23 ILE 17 40.155 10.086 -3.840 178 HD11 ILE 17 HD1 ILE 17 40.167 9.426 -7.648 179 HD12 ILE 17 HD2 ILE 17 39.420 9.815 -6.080 180 HD13 ILE 17 HD3 ILE 17 40.809 8.703 -6.154 181 H ILE 18 HN ILE 18 41.679 13.337 -2.999 182 HA ILE 18 HA ILE 18 40.401 15.292 -4.839 183 HB ILE 18 HB ILE 18 40.403 15.133 -1.788 184 HG12 ILE 18 HG12 ILE 18 39.287 13.177 -2.723 185 HG13 ILE 18 HG11 ILE 18 38.063 14.278 -2.069 186 HG21 ILE 18 HG21 ILE 18 39.126 17.026 -3.775 187 HG22 ILE 18 HG22 ILE 18 39.826 17.356 -2.178 188 HG23 ILE 18 HG23 ILE 18 38.219 16.610 -2.301 189 HD11 ILE 18 HD1 ILE 18 38.724 13.685 -4.971 190 HD12 ILE 18 HD2 ILE 18 37.920 15.204 -4.526 191 HD13 ILE 18 HD3 ILE 18 37.149 13.651 -4.152 192 H GLY 19 HN GLY 19 42.335 15.562 -1.833 193 HA2 GLY 19 HA1 GLY 19 44.451 17.092 -2.804 194 HA3 GLY 19 HA2 GLY 19 43.160 18.265 -2.468 195 H GLY 20 HN GLY 20 42.321 16.057 -0.361 196 HA2 GLY 20 HA1 GLY 20 42.791 15.602 1.870 197 HA3 GLY 20 HA2 GLY 20 44.422 16.262 1.646 198 H ALA 21 HN ALA 21 44.281 18.792 1.133 199 HA ALA 21 HA ALA 21 43.612 20.058 3.541 200 HB1 ALA 21 HB1 ALA 21 43.831 22.154 2.333 201 HB2 ALA 21 HB2 ALA 21 43.574 21.324 0.780 202 HB3 ALA 21 HB3 ALA 21 45.044 21.001 1.730 203 H ALA 22 HN ALA 22 41.667 19.840 0.537 204 HA ALA 22 HA ALA 22 39.414 21.259 1.767 205 HB1 ALA 22 HB1 ALA 22 38.252 20.652 -0.347 206 HB2 ALA 22 HB2 ALA 22 39.671 19.687 -0.821 207 HB3 ALA 22 HB3 ALA 22 39.817 21.450 -0.625 208 H LEU 23 HN LEU 23 40.649 18.142 2.048 209 HA LEU 23 HA LEU 23 38.012 17.161 3.088 210 HB2 LEU 23 HB2 LEU 23 38.505 16.268 0.732 211 HB3 LEU 23 HB1 LEU 23 39.890 15.419 1.454 212 HG LEU 23 HG LEU 23 38.070 14.544 3.206 213 HD11 LEU 23 HD11 LEU 23 36.378 15.253 0.761 214 HD12 LEU 23 HD12 LEU 23 36.183 15.899 2.407 215 HD13 LEU 23 HD13 LEU 23 35.855 14.184 2.081 216 HD21 LEU 23 HD21 LEU 23 38.310 13.548 0.331 217 HD22 LEU 23 HD22 LEU 23 37.578 12.614 1.658 218 HD23 LEU 23 HD23 LEU 23 39.301 13.052 1.723 219 H ASP 24 HN ASP 24 39.372 18.064 4.963 220 HA ASP 24 HA ASP 24 40.360 15.780 6.441 221 HB2 ASP 24 HB2 ASP 24 42.355 16.233 5.003 222 HB3 ASP 24 HB1 ASP 24 42.424 17.882 5.670 223 H HIS 25 HN HIS 25 39.747 19.174 5.981 224 HA HIS 25 HA HIS 25 40.227 19.918 8.775 225 HB2 HIS 25 HB2 HIS 25 39.305 22.081 8.116 226 HB3 HIS 25 HB1 HIS 25 40.451 21.521 6.876 227 HD1 HIS 25 HD1 HIS 25 38.329 23.558 6.040 228 HD2 HIS 25 HD2 HIS 25 37.741 19.399 5.827 229 HE1 HIS 25 HE1 HIS 25 36.489 23.137 4.318 230 H LEU 26 HN LEU 26 38.413 17.643 8.285 231 HA LEU 26 HA LEU 26 35.682 18.302 8.511 232 HB2 LEU 26 HB2 LEU 26 37.353 16.026 9.627 233 HB3 LEU 26 HB1 LEU 26 35.606 16.119 9.948 234 HG LEU 26 HG LEU 26 35.159 16.193 7.509 235 HD11 LEU 26 HD11 LEU 26 38.197 16.068 7.372 236 HD12 LEU 26 HD12 LEU 26 37.100 17.231 6.587 237 HD13 LEU 26 HD13 LEU 26 37.173 15.551 6.012 238 HD21 LEU 26 HD21 LEU 26 35.851 13.850 7.015 239 HD22 LEU 26 HD22 LEU 26 35.222 14.015 8.673 240 HD23 LEU 26 HD23 LEU 26 36.976 13.903 8.391 Start of MODEL 47 1 H1 GLY 1 HT1 GLY 1 54.242 0.006 -4.323 2 H2 GLY 1 HT2 GLY 1 55.554 -0.390 -3.318 3 H3 GLY 1 HT3 GLY 1 55.153 -1.390 -4.633 4 HA2 GLY 1 HA1 GLY 1 56.928 -0.265 -5.436 5 HA3 GLY 1 HA2 GLY 1 55.542 0.660 -6.045 6 H ARG 2 HN ARG 2 58.478 0.808 -4.415 7 HA ARG 2 HA ARG 2 57.864 3.101 -2.697 8 HB2 ARG 2 HB2 ARG 2 60.576 2.122 -3.665 9 HB3 ARG 2 HB1 ARG 2 60.234 3.132 -2.239 10 HG2 ARG 2 HG2 ARG 2 58.868 1.251 -1.291 11 HG3 ARG 2 HG1 ARG 2 59.357 0.242 -2.674 12 HD2 ARG 2 HD2 ARG 2 60.804 -0.170 -0.696 13 HD3 ARG 2 HD1 ARG 2 61.731 0.516 -2.052 14 HE ARG 2 HE ARG 2 62.096 2.454 -0.744 15 HH11 ARG 2 HH11 ARG 2 61.302 0.300 1.465 16 HH12 ARG 2 HH12 ARG 2 60.362 1.320 2.501 17 HH21 ARG 2 HH21 ARG 2 60.116 3.892 0.187 18 HH22 ARG 2 HH22 ARG 2 59.691 3.354 1.778 19 H ARG 3 HN ARG 3 56.758 4.250 -4.570 20 HA ARG 3 HA ARG 3 58.474 5.364 -6.647 21 HB2 ARG 3 HB2 ARG 3 55.944 5.009 -6.780 22 HB3 ARG 3 HB1 ARG 3 55.780 6.439 -5.734 23 HG2 ARG 3 HG2 ARG 3 57.115 7.761 -7.391 24 HG3 ARG 3 HG1 ARG 3 57.150 6.335 -8.457 25 HD2 ARG 3 HD2 ARG 3 54.626 7.730 -7.461 26 HD3 ARG 3 HD1 ARG 3 55.325 7.905 -9.089 27 HE ARG 3 HE ARG 3 54.925 5.124 -8.584 28 HH11 ARG 3 HH11 ARG 3 53.822 7.379 -10.615 29 HH12 ARG 3 HH12 ARG 3 52.152 6.920 -10.601 30 HH21 ARG 3 HH21 ARG 3 52.482 4.809 -7.869 31 HH22 ARG 3 HH22 ARG 3 51.394 5.464 -9.047 32 H LYS 4 HN LYS 4 57.620 6.215 -3.363 33 HA LYS 4 HA LYS 4 59.400 8.612 -3.580 34 HB2 LYS 4 HB2 LYS 4 57.119 9.480 -3.870 35 HB3 LYS 4 HB1 LYS 4 56.598 8.656 -2.382 36 HG2 LYS 4 HG2 LYS 4 58.049 10.017 -1.017 37 HG3 LYS 4 HG1 LYS 4 58.875 10.678 -2.449 38 HD2 LYS 4 HD2 LYS 4 56.760 11.754 -3.172 39 HD3 LYS 4 HD1 LYS 4 55.940 11.104 -1.732 40 HE2 LYS 4 HE2 LYS 4 56.566 13.369 -1.201 41 HE3 LYS 4 HE1 LYS 4 57.699 12.310 -0.326 42 HZ1 LYS 4 HZ1 LYS 4 58.343 13.312 -3.034 43 HZ2 LYS 4 HZ2 LYS 4 59.396 12.763 -1.817 44 HZ3 LYS 4 HZ3 LYS 4 58.632 14.273 -1.667 45 H ARG 5 HN ARG 5 57.213 7.853 -0.897 46 HA ARG 5 HA ARG 5 59.324 6.410 0.588 47 HB2 ARG 5 HB2 ARG 5 58.395 9.196 1.405 48 HB3 ARG 5 HB1 ARG 5 59.255 8.072 2.483 49 HG2 ARG 5 HG2 ARG 5 61.080 7.966 0.652 50 HG3 ARG 5 HG1 ARG 5 60.270 9.374 -0.075 51 HD2 ARG 5 HD2 ARG 5 62.006 10.236 1.352 52 HD3 ARG 5 HD1 ARG 5 60.463 10.521 2.193 53 HE ARG 5 HE ARG 5 61.266 9.112 3.897 54 HH11 ARG 5 HH11 ARG 5 63.993 9.400 2.360 55 HH12 ARG 5 HH12 ARG 5 64.498 7.743 2.365 56 HH21 ARG 5 HH21 ARG 5 61.386 6.518 3.275 57 HH22 ARG 5 HH22 ARG 5 63.023 6.112 2.881 58 H LYS 6 HN LYS 6 56.513 8.462 1.479 59 HA LYS 6 HA LYS 6 54.860 6.091 2.023 60 HB2 LYS 6 HB2 LYS 6 54.567 6.747 4.467 61 HB3 LYS 6 HB1 LYS 6 56.130 6.001 4.052 62 HG2 LYS 6 HG2 LYS 6 57.210 8.184 3.952 63 HG3 LYS 6 HG1 LYS 6 55.651 9.008 4.187 64 HD2 LYS 6 HD2 LYS 6 56.904 8.927 6.308 65 HD3 LYS 6 HD1 LYS 6 55.431 7.939 6.422 66 HE2 LYS 6 HE2 LYS 6 58.014 6.616 5.548 67 HE3 LYS 6 HE1 LYS 6 57.752 6.964 7.274 68 HZ1 LYS 6 HZ1 LYS 6 56.108 5.454 7.422 69 HZ2 LYS 6 HZ2 LYS 6 56.883 4.759 6.080 70 HZ3 LYS 6 HZ3 LYS 6 55.517 5.744 5.859 71 H TRP 7 HN TRP 7 54.400 8.051 0.234 72 HA TRP 7 HA TRP 7 51.919 9.225 1.268 73 HB2 TRP 7 HB2 TRP 7 54.259 10.999 0.454 74 HB3 TRP 7 HB1 TRP 7 52.574 11.564 0.559 75 HD1 TRP 7 HD1 TRP 7 55.609 11.171 2.598 76 HE1 TRP 7 HE1 TRP 7 55.111 11.458 5.134 77 HE3 TRP 7 HE3 TRP 7 50.499 10.887 2.453 78 HZ2 TRP 7 HZ2 TRP 7 52.791 11.548 6.837 79 HZ3 TRP 7 HZ3 TRP 7 49.163 11.076 4.546 80 HH2 TRP 7 HH2 TRP 7 50.304 11.406 6.736 81 H LEU 8 HN LEU 8 53.468 7.555 -0.920 82 HA LEU 8 HA LEU 8 53.187 8.694 -3.444 83 HB2 LEU 8 HB2 LEU 8 52.182 5.870 -3.271 84 HB3 LEU 8 HB1 LEU 8 53.489 6.558 -4.257 85 HG LEU 8 HG LEU 8 54.756 6.773 -1.921 86 HD11 LEU 8 HD11 LEU 8 52.555 5.975 -0.729 87 HD12 LEU 8 HD12 LEU 8 54.098 5.262 -0.209 88 HD13 LEU 8 HD13 LEU 8 53.015 4.353 -1.290 89 HD21 LEU 8 HD21 LEU 8 55.642 5.360 -3.640 90 HD22 LEU 8 HD22 LEU 8 54.294 4.209 -3.498 91 HD23 LEU 8 HD23 LEU 8 55.508 4.325 -2.201 92 H ARG 9 HN ARG 9 50.690 6.506 -2.076 93 HA ARG 9 HA ARG 9 48.534 8.373 -2.598 94 HB2 ARG 9 HB2 ARG 9 47.472 6.699 -4.355 95 HB3 ARG 9 HB1 ARG 9 48.639 7.926 -4.898 96 HG2 ARG 9 HG2 ARG 9 49.121 5.654 -5.831 97 HG3 ARG 9 HG1 ARG 9 50.458 6.291 -4.851 98 HD2 ARG 9 HD2 ARG 9 49.937 4.864 -3.012 99 HD3 ARG 9 HD1 ARG 9 48.320 4.483 -3.660 100 HE ARG 9 HE ARG 9 50.034 3.551 -5.622 101 HH11 ARG 9 HH11 ARG 9 50.857 1.445 -5.628 102 HH12 ARG 9 HH12 ARG 9 51.028 0.592 -4.129 103 HH21 ARG 9 HH21 ARG 9 49.783 3.192 -2.201 104 HH22 ARG 9 HH22 ARG 9 50.422 1.581 -2.190 105 H ARG 10 HN ARG 10 49.784 6.350 -0.662 106 HA ARG 10 HA ARG 10 48.246 4.084 -0.238 107 HB2 ARG 10 HB2 ARG 10 48.459 4.879 2.341 108 HB3 ARG 10 HB1 ARG 10 49.867 4.322 1.409 109 HG2 ARG 10 HG2 ARG 10 50.599 6.550 0.957 110 HG3 ARG 10 HG1 ARG 10 49.051 7.252 1.482 111 HD2 ARG 10 HD2 ARG 10 50.799 7.545 3.217 112 HD3 ARG 10 HD1 ARG 10 49.490 6.491 3.800 113 HE ARG 10 HE ARG 10 51.558 4.886 2.614 114 HH11 ARG 10 HH11 ARG 10 53.545 4.584 3.841 115 HH12 ARG 10 HH12 ARG 10 53.427 4.735 5.562 116 HH21 ARG 10 HH21 ARG 10 50.225 6.065 5.492 117 HH22 ARG 10 HH22 ARG 10 51.548 5.573 6.497 118 H ILE 11 HN ILE 11 47.422 6.712 1.985 119 HA ILE 11 HA ILE 11 44.543 6.056 1.609 120 HB ILE 11 HB ILE 11 44.255 7.701 3.529 121 HG12 ILE 11 HG12 ILE 11 47.280 7.483 3.878 122 HG13 ILE 11 HG11 ILE 11 46.578 8.810 2.929 123 HG21 ILE 11 HG21 ILE 11 45.076 6.113 5.210 124 HG22 ILE 11 HG22 ILE 11 46.192 5.393 4.026 125 HG23 ILE 11 HG23 ILE 11 44.435 5.218 3.815 126 HD11 ILE 11 HD1 ILE 11 46.011 8.161 5.855 127 HD12 ILE 11 HD2 ILE 11 45.122 9.382 4.913 128 HD13 ILE 11 HD3 ILE 11 46.864 9.582 5.211 129 H GLY 12 HN GLY 12 46.855 8.153 0.329 130 HA2 GLY 12 HA1 GLY 12 45.445 10.612 0.140 131 HA3 GLY 12 HA2 GLY 12 46.673 10.031 -1.007 132 H LYS 13 HN LYS 13 45.377 7.704 -1.909 133 HA LYS 13 HA LYS 13 43.853 8.637 -4.063 134 HB2 LYS 13 HB2 LYS 13 44.727 6.347 -3.915 135 HB3 LYS 13 HB1 LYS 13 43.603 5.989 -2.583 136 HG2 LYS 13 HG2 LYS 13 41.685 6.212 -4.015 137 HG3 LYS 13 HG1 LYS 13 42.663 6.918 -5.325 138 HD2 LYS 13 HD2 LYS 13 42.112 4.509 -5.729 139 HD3 LYS 13 HD1 LYS 13 43.865 4.798 -5.618 140 HE2 LYS 13 HE2 LYS 13 44.008 3.835 -3.455 141 HE3 LYS 13 HE1 LYS 13 42.259 3.997 -3.162 142 HZ1 LYS 13 HZ1 LYS 13 42.851 2.426 -5.488 143 HZ2 LYS 13 HZ2 LYS 13 41.867 2.062 -4.152 144 HZ3 LYS 13 HZ3 LYS 13 43.539 1.768 -4.084 145 H GLY 14 HN GLY 14 43.010 8.492 -0.744 146 HA2 GLY 14 HA1 GLY 14 40.075 8.589 -1.313 147 HA3 GLY 14 HA2 GLY 14 40.845 8.348 0.267 148 H VAL 15 HN VAL 15 42.715 10.481 0.245 149 HA VAL 15 HA VAL 15 40.790 12.803 0.425 150 HB VAL 15 HB VAL 15 42.483 13.762 2.025 151 HG11 VAL 15 HG11 VAL 15 41.343 11.021 2.732 152 HG12 VAL 15 HG12 VAL 15 40.455 12.563 2.796 153 HG13 VAL 15 HG13 VAL 15 41.826 12.279 3.895 154 HG21 VAL 15 HG21 VAL 15 44.089 12.084 3.032 155 HG22 VAL 15 HG22 VAL 15 44.481 12.538 1.358 156 HG23 VAL 15 HG23 VAL 15 43.693 10.979 1.696 157 H LYS 16 HN LYS 16 44.100 11.859 -0.590 158 HA LYS 16 HA LYS 16 44.978 14.405 -1.435 159 HB2 LYS 16 HB2 LYS 16 46.380 12.345 -1.358 160 HB3 LYS 16 HB1 LYS 16 45.543 11.751 -2.814 161 HG2 LYS 16 HG2 LYS 16 46.323 13.666 -4.106 162 HG3 LYS 16 HG1 LYS 16 47.029 14.409 -2.650 163 HD2 LYS 16 HD2 LYS 16 48.574 12.482 -2.417 164 HD3 LYS 16 HD1 LYS 16 47.876 11.750 -3.881 165 HE2 LYS 16 HE2 LYS 16 48.603 13.662 -5.232 166 HE3 LYS 16 HE1 LYS 16 49.211 14.491 -3.780 167 HZ1 LYS 16 HZ1 LYS 16 50.446 12.453 -5.358 168 HZ2 LYS 16 HZ2 LYS 16 50.376 12.007 -3.721 169 HZ3 LYS 16 HZ3 LYS 16 51.127 13.461 -4.176 170 H ILE 17 HN ILE 17 43.332 11.877 -3.403 171 HA ILE 17 HA ILE 17 43.063 13.646 -5.682 172 HB ILE 17 HB ILE 17 43.015 11.049 -5.647 173 HG12 ILE 17 HG12 ILE 17 40.801 12.478 -7.195 174 HG13 ILE 17 HG11 ILE 17 42.518 12.484 -7.656 175 HG21 ILE 17 HG21 ILE 17 40.946 9.938 -5.244 176 HG22 ILE 17 HG22 ILE 17 40.040 11.469 -5.184 177 HG23 ILE 17 HG23 ILE 17 41.158 11.042 -3.867 178 HD11 ILE 17 HD1 ILE 17 40.593 10.136 -7.571 179 HD12 ILE 17 HD2 ILE 17 42.357 9.896 -7.593 180 HD13 ILE 17 HD3 ILE 17 41.554 10.731 -8.943 181 H ILE 18 HN ILE 18 41.804 13.978 -2.724 182 HA ILE 18 HA ILE 18 39.997 15.147 -1.873 183 HB ILE 18 HB ILE 18 39.389 16.062 -4.717 184 HG12 ILE 18 HG12 ILE 18 41.452 17.141 -2.737 185 HG13 ILE 18 HG11 ILE 18 41.807 16.347 -4.289 186 HG21 ILE 18 HG21 ILE 18 39.153 17.568 -2.079 187 HG22 ILE 18 HG22 ILE 18 37.829 16.570 -2.728 188 HG23 ILE 18 HG23 ILE 18 38.418 17.973 -3.648 189 HD11 ILE 18 HD1 ILE 18 40.324 18.206 -5.354 190 HD12 ILE 18 HD2 ILE 18 41.945 18.665 -4.782 191 HD13 ILE 18 HD3 ILE 18 40.514 19.051 -3.799 192 H GLY 19 HN GLY 19 39.212 12.842 -1.643 193 HA2 GLY 19 HA1 GLY 19 37.199 11.883 -3.484 194 HA3 GLY 19 HA2 GLY 19 37.522 11.267 -1.853 195 H GLY 20 HN GLY 20 35.396 13.012 -3.849 196 HA2 GLY 20 HA1 GLY 20 34.165 14.794 -2.029 197 HA3 GLY 20 HA2 GLY 20 33.362 14.017 -3.408 198 H ALA 21 HN ALA 21 34.290 11.376 -1.971 199 HA ALA 21 HA ALA 21 31.713 10.936 -0.680 200 HB1 ALA 21 HB1 ALA 21 32.599 8.688 -0.233 201 HB2 ALA 21 HB2 ALA 21 34.221 9.221 -0.740 202 HB3 ALA 21 HB3 ALA 21 32.892 9.164 -1.922 203 H ALA 22 HN ALA 22 33.980 12.864 0.361 204 HA ALA 22 HA ALA 22 33.344 12.405 3.184 205 HB1 ALA 22 HB1 ALA 22 36.166 11.976 2.149 206 HB2 ALA 22 HB2 ALA 22 35.150 10.824 3.049 207 HB3 ALA 22 HB3 ALA 22 35.774 12.283 3.857 208 H LEU 23 HN LEU 23 35.530 14.015 0.844 209 HA LEU 23 HA LEU 23 35.712 16.415 2.513 210 HB2 LEU 23 HB2 LEU 23 37.373 15.362 0.682 211 HB3 LEU 23 HB1 LEU 23 36.456 16.398 -0.421 212 HG LEU 23 HG LEU 23 38.407 17.618 0.342 213 HD11 LEU 23 HD11 LEU 23 35.971 18.664 1.849 214 HD12 LEU 23 HD12 LEU 23 36.269 18.879 0.108 215 HD13 LEU 23 HD13 LEU 23 37.371 19.609 1.297 216 HD21 LEU 23 HD21 LEU 23 38.413 16.175 2.620 217 HD22 LEU 23 HD22 LEU 23 37.551 17.596 3.250 218 HD23 LEU 23 HD23 LEU 23 39.167 17.781 2.544 219 H ASP 24 HN ASP 24 33.186 16.268 2.548 220 HA ASP 24 HA ASP 24 32.233 18.542 1.047 221 HB2 ASP 24 HB2 ASP 24 32.175 16.901 -0.805 222 HB3 ASP 24 HB1 ASP 24 31.162 15.823 0.186 223 H HIS 25 HN HIS 25 31.092 15.431 2.441 224 HA HIS 25 HA HIS 25 28.775 16.720 3.677 225 HB2 HIS 25 HB2 HIS 25 28.732 14.356 2.952 226 HB3 HIS 25 HB1 HIS 25 30.002 13.972 4.136 227 HD1 HIS 25 HD1 HIS 25 29.015 12.887 6.144 228 HD2 HIS 25 HD2 HIS 25 26.555 15.950 4.645 229 HE1 HIS 25 HE1 HIS 25 26.970 13.035 7.669 230 H LEU 26 HN LEU 26 29.313 18.274 5.143 231 HA LEU 26 HA LEU 26 31.509 18.061 6.984 232 HB2 LEU 26 HB2 LEU 26 28.983 19.744 6.885 233 HB3 LEU 26 HB1 LEU 26 30.107 19.856 8.259 234 HG LEU 26 HG LEU 26 31.947 20.458 6.761 235 HD11 LEU 26 HD11 LEU 26 29.873 19.932 4.597 236 HD12 LEU 26 HD12 LEU 26 31.502 19.233 4.763 237 HD13 LEU 26 HD13 LEU 26 31.311 20.937 4.297 238 HD21 LEU 26 HD21 LEU 26 30.390 22.238 7.592 239 HD22 LEU 26 HD22 LEU 26 29.440 22.066 6.097 240 HD23 LEU 26 HD23 LEU 26 31.119 22.650 6.022 Start of MODEL 48 1 H1 GLY 1 HT1 GLY 1 59.654 2.816 6.372 2 H2 GLY 1 HT2 GLY 1 59.549 1.579 5.211 3 H3 GLY 1 HT3 GLY 1 58.406 2.836 5.225 4 HA2 GLY 1 HA1 GLY 1 60.134 4.424 4.725 5 HA3 GLY 1 HA2 GLY 1 61.282 3.074 4.638 6 H ARG 2 HN ARG 2 57.938 3.626 3.446 7 HA ARG 2 HA ARG 2 58.516 2.220 0.964 8 HB2 ARG 2 HB2 ARG 2 56.178 4.087 1.484 9 HB3 ARG 2 HB1 ARG 2 56.255 2.697 0.376 10 HG2 ARG 2 HG2 ARG 2 56.392 2.577 3.423 11 HG3 ARG 2 HG1 ARG 2 55.009 2.093 2.415 12 HD2 ARG 2 HD2 ARG 2 56.678 0.473 1.243 13 HD3 ARG 2 HD1 ARG 2 57.731 0.770 2.648 14 HE ARG 2 HE ARG 2 56.281 -0.584 3.921 15 HH11 ARG 2 HH11 ARG 2 55.407 -1.842 1.305 16 HH12 ARG 2 HH12 ARG 2 53.683 -1.725 1.428 17 HH21 ARG 2 HH21 ARG 2 53.758 0.608 3.991 18 HH22 ARG 2 HH22 ARG 2 52.750 -0.338 2.948 19 H ARG 3 HN ARG 3 60.368 3.349 0.173 20 HA ARG 3 HA ARG 3 61.429 4.972 -1.102 21 HB2 ARG 3 HB2 ARG 3 58.569 5.285 -2.087 22 HB3 ARG 3 HB1 ARG 3 59.975 6.060 -2.855 23 HG2 ARG 3 HG2 ARG 3 61.000 3.893 -3.296 24 HG3 ARG 3 HG1 ARG 3 59.721 3.058 -2.383 25 HD2 ARG 3 HD2 ARG 3 59.461 3.061 -4.938 26 HD3 ARG 3 HD1 ARG 3 58.054 3.625 -4.007 27 HE ARG 3 HE ARG 3 58.372 5.763 -4.957 28 HH11 ARG 3 HH11 ARG 3 60.235 7.371 -4.971 29 HH12 ARG 3 HH12 ARG 3 61.508 6.959 -6.071 30 HH21 ARG 3 HH21 ARG 3 60.432 3.691 -6.507 31 HH22 ARG 3 HH22 ARG 3 61.619 4.876 -6.943 32 H LYS 4 HN LYS 4 58.507 6.909 -1.225 33 HA LYS 4 HA LYS 4 59.944 9.183 -0.077 34 HB2 LYS 4 HB2 LYS 4 56.984 8.949 -0.733 35 HB3 LYS 4 HB1 LYS 4 57.947 10.438 -0.581 36 HG2 LYS 4 HG2 LYS 4 59.377 9.652 -2.493 37 HG3 LYS 4 HG1 LYS 4 58.284 8.260 -2.689 38 HD2 LYS 4 HD2 LYS 4 56.373 9.923 -2.929 39 HD3 LYS 4 HD1 LYS 4 57.598 11.213 -2.995 40 HE2 LYS 4 HE2 LYS 4 58.690 9.932 -4.907 41 HE3 LYS 4 HE1 LYS 4 57.257 8.877 -4.919 42 HZ1 LYS 4 HZ1 LYS 4 56.368 10.402 -6.255 43 HZ2 LYS 4 HZ2 LYS 4 57.570 11.552 -5.913 44 HZ3 LYS 4 HZ3 LYS 4 56.222 11.399 -4.890 45 H ARG 5 HN ARG 5 59.466 6.779 1.647 46 HA ARG 5 HA ARG 5 58.763 6.315 3.813 47 HB2 ARG 5 HB2 ARG 5 58.796 9.314 4.290 48 HB3 ARG 5 HB1 ARG 5 59.215 8.001 5.418 49 HG2 ARG 5 HG2 ARG 5 60.778 8.788 2.915 50 HG3 ARG 5 HG1 ARG 5 61.256 9.109 4.597 51 HD2 ARG 5 HD2 ARG 5 61.122 6.565 4.968 52 HD3 ARG 5 HD1 ARG 5 61.036 6.421 3.194 53 HE ARG 5 HE ARG 5 63.272 8.076 4.045 54 HH11 ARG 5 HH11 ARG 5 62.821 5.077 5.217 55 HH12 ARG 5 HH12 ARG 5 64.068 4.287 4.311 56 HH21 ARG 5 HH21 ARG 5 64.586 6.973 2.179 57 HH22 ARG 5 HH22 ARG 5 65.068 5.361 2.592 58 H LYS 6 HN LYS 6 56.644 5.934 2.436 59 HA LYS 6 HA LYS 6 54.325 6.070 2.371 60 HB2 LYS 6 HB2 LYS 6 54.763 7.055 5.217 61 HB3 LYS 6 HB1 LYS 6 53.214 6.487 4.551 62 HG2 LYS 6 HG2 LYS 6 54.272 4.286 4.025 63 HG3 LYS 6 HG1 LYS 6 55.782 4.848 4.776 64 HD2 LYS 6 HD2 LYS 6 53.190 4.963 6.362 65 HD3 LYS 6 HD1 LYS 6 54.046 3.416 6.196 66 HE2 LYS 6 HE2 LYS 6 55.350 5.980 7.212 67 HE3 LYS 6 HE1 LYS 6 54.694 4.702 8.260 68 HZ1 LYS 6 HZ1 LYS 6 56.459 3.739 6.188 69 HZ2 LYS 6 HZ2 LYS 6 56.430 3.382 7.849 70 HZ3 LYS 6 HZ3 LYS 6 57.216 4.781 7.292 71 H TRP 7 HN TRP 7 54.422 7.766 0.765 72 HA TRP 7 HA TRP 7 52.877 10.080 1.585 73 HB2 TRP 7 HB2 TRP 7 55.226 10.710 2.332 74 HB3 TRP 7 HB1 TRP 7 55.703 10.661 0.619 75 HD1 TRP 7 HD1 TRP 7 53.095 12.416 2.883 76 HE1 TRP 7 HE1 TRP 7 52.594 14.781 1.923 77 HE3 TRP 7 HE3 TRP 7 55.955 12.186 -1.356 78 HZ2 TRP 7 HZ2 TRP 7 53.351 16.333 -0.380 79 HZ3 TRP 7 HZ3 TRP 7 56.051 14.123 -2.920 80 HH2 TRP 7 HH2 TRP 7 54.753 16.192 -2.437 81 H LEU 8 HN LEU 8 53.635 7.767 -0.500 82 HA LEU 8 HA LEU 8 53.742 9.172 -3.028 83 HB2 LEU 8 HB2 LEU 8 52.769 6.755 -3.772 84 HB3 LEU 8 HB1 LEU 8 54.473 6.991 -3.337 85 HG LEU 8 HG LEU 8 52.527 6.349 -1.101 86 HD11 LEU 8 HD11 LEU 8 52.901 3.898 -1.536 87 HD12 LEU 8 HD12 LEU 8 53.582 4.328 -3.124 88 HD13 LEU 8 HD13 LEU 8 51.880 4.693 -2.757 89 HD21 LEU 8 HD21 LEU 8 54.449 5.427 -0.051 90 HD22 LEU 8 HD22 LEU 8 55.100 6.839 -0.915 91 HD23 LEU 8 HD23 LEU 8 55.309 5.210 -1.593 92 H ARG 9 HN ARG 9 51.129 6.860 -2.420 93 HA ARG 9 HA ARG 9 49.053 8.875 -2.244 94 HB2 ARG 9 HB2 ARG 9 48.016 8.172 -4.535 95 HB3 ARG 9 HB1 ARG 9 49.330 9.369 -4.531 96 HG2 ARG 9 HG2 ARG 9 49.690 7.655 -6.279 97 HG3 ARG 9 HG1 ARG 9 50.971 7.593 -5.051 98 HD2 ARG 9 HD2 ARG 9 50.125 5.598 -4.093 99 HD3 ARG 9 HD1 ARG 9 48.513 5.822 -4.820 100 HE ARG 9 HE ARG 9 50.473 5.554 -6.901 101 HH11 ARG 9 HH11 ARG 9 51.635 3.320 -6.576 102 HH12 ARG 9 HH12 ARG 9 50.502 2.016 -6.448 103 HH21 ARG 9 HH21 ARG 9 47.792 4.081 -5.805 104 HH22 ARG 9 HH22 ARG 9 48.327 2.446 -6.010 105 H ARG 10 HN ARG 10 50.072 6.223 -1.159 106 HA ARG 10 HA ARG 10 48.426 4.059 -1.775 107 HB2 ARG 10 HB2 ARG 10 48.494 3.744 0.905 108 HB3 ARG 10 HB1 ARG 10 49.948 3.531 -0.097 109 HG2 ARG 10 HG2 ARG 10 50.813 5.668 0.467 110 HG3 ARG 10 HG1 ARG 10 49.243 6.254 1.059 111 HD2 ARG 10 HD2 ARG 10 50.894 4.039 2.355 112 HD3 ARG 10 HD1 ARG 10 50.797 5.721 2.931 113 HE ARG 10 HE ARG 10 48.151 4.604 2.695 114 HH11 ARG 10 HH11 ARG 10 48.226 6.018 5.021 115 HH12 ARG 10 HH12 ARG 10 48.662 4.920 6.288 116 HH21 ARG 10 HH21 ARG 10 49.927 2.517 4.132 117 HH22 ARG 10 HH22 ARG 10 49.622 2.936 5.785 118 H ILE 11 HN ILE 11 47.580 5.638 1.271 119 HA ILE 11 HA ILE 11 44.726 5.275 0.676 120 HB ILE 11 HB ILE 11 45.702 4.943 2.976 121 HG12 ILE 11 HG12 ILE 11 43.641 7.193 2.818 122 HG13 ILE 11 HG11 ILE 11 43.270 5.473 2.562 123 HG21 ILE 11 HG21 ILE 11 47.269 6.965 2.729 124 HG22 ILE 11 HG22 ILE 11 46.436 6.806 4.292 125 HG23 ILE 11 HG23 ILE 11 45.855 7.981 3.089 126 HD11 ILE 11 HD1 ILE 11 42.745 5.880 4.846 127 HD12 ILE 11 HD2 ILE 11 44.215 6.848 5.099 128 HD13 ILE 11 HD3 ILE 11 44.334 5.083 4.892 129 H GLY 12 HN GLY 12 47.122 7.699 0.229 130 HA2 GLY 12 HA1 GLY 12 45.610 10.066 0.535 131 HA3 GLY 12 HA2 GLY 12 46.962 9.857 -0.605 132 H LYS 13 HN LYS 13 45.892 7.933 -2.358 133 HA LYS 13 HA LYS 13 44.389 9.502 -4.134 134 HB2 LYS 13 HB2 LYS 13 43.891 7.499 -5.319 135 HB3 LYS 13 HB1 LYS 13 45.440 7.176 -4.507 136 HG2 LYS 13 HG2 LYS 13 44.019 6.191 -2.578 137 HG3 LYS 13 HG1 LYS 13 42.664 6.218 -3.728 138 HD2 LYS 13 HD2 LYS 13 43.964 4.825 -5.312 139 HD3 LYS 13 HD1 LYS 13 45.332 4.800 -4.172 140 HE2 LYS 13 HE2 LYS 13 44.036 3.595 -2.525 141 HE3 LYS 13 HE1 LYS 13 42.539 3.809 -3.464 142 HZ1 LYS 13 HZ1 LYS 13 44.936 2.319 -4.413 143 HZ2 LYS 13 HZ2 LYS 13 43.439 2.445 -5.205 144 HZ3 LYS 13 HZ3 LYS 13 43.559 1.596 -3.739 145 H GLY 14 HN GLY 14 43.469 8.130 -1.140 146 HA2 GLY 14 HA1 GLY 14 40.570 8.139 -1.671 147 HA3 GLY 14 HA2 GLY 14 41.385 7.732 -0.147 148 H VAL 15 HN VAL 15 42.877 9.919 0.509 149 HA VAL 15 HA VAL 15 40.698 11.936 0.965 150 HB VAL 15 HB VAL 15 41.816 11.349 2.992 151 HG11 VAL 15 HG11 VAL 15 44.438 11.868 1.528 152 HG12 VAL 15 HG12 VAL 15 43.806 10.281 2.033 153 HG13 VAL 15 HG13 VAL 15 44.283 11.480 3.256 154 HG21 VAL 15 HG21 VAL 15 42.660 13.454 3.760 155 HG22 VAL 15 HG22 VAL 15 41.485 13.844 2.482 156 HG23 VAL 15 HG23 VAL 15 43.228 13.906 2.134 157 H LYS 16 HN LYS 16 43.991 11.649 -0.348 158 HA LYS 16 HA LYS 16 44.437 14.334 -1.054 159 HB2 LYS 16 HB2 LYS 16 46.043 12.362 -1.262 160 HB3 LYS 16 HB1 LYS 16 45.211 11.955 -2.782 161 HG2 LYS 16 HG2 LYS 16 45.700 14.256 -3.632 162 HG3 LYS 16 HG1 LYS 16 46.611 14.588 -2.138 163 HD2 LYS 16 HD2 LYS 16 48.052 12.571 -2.671 164 HD3 LYS 16 HD1 LYS 16 47.233 12.479 -4.249 165 HE2 LYS 16 HE2 LYS 16 47.915 14.890 -4.646 166 HE3 LYS 16 HE1 LYS 16 48.902 14.788 -3.169 167 HZ1 LYS 16 HZ1 LYS 16 49.954 14.246 -5.460 168 HZ2 LYS 16 HZ2 LYS 16 49.194 12.738 -5.270 169 HZ3 LYS 16 HZ3 LYS 16 50.326 13.273 -4.121 170 H ILE 17 HN ILE 17 42.789 11.725 -2.998 171 HA ILE 17 HA ILE 17 42.249 13.535 -5.185 172 HB ILE 17 HB ILE 17 42.094 10.907 -5.127 173 HG12 ILE 17 HG12 ILE 17 39.950 12.539 -6.568 174 HG13 ILE 17 HG11 ILE 17 41.630 12.339 -7.117 175 HG21 ILE 17 HG21 ILE 17 39.179 11.544 -4.512 176 HG22 ILE 17 HG22 ILE 17 40.321 10.955 -3.279 177 HG23 ILE 17 HG23 ILE 17 39.932 9.946 -4.692 178 HD11 ILE 17 HD1 ILE 17 39.421 10.264 -6.965 179 HD12 ILE 17 HD2 ILE 17 41.131 9.768 -6.973 180 HD13 ILE 17 HD3 ILE 17 40.463 10.688 -8.341 181 H ILE 18 HN ILE 18 41.311 13.897 -2.118 182 HA ILE 18 HA ILE 18 39.674 15.152 -1.090 183 HB ILE 18 HB ILE 18 38.677 15.978 -3.848 184 HG12 ILE 18 HG12 ILE 18 40.994 17.101 -2.203 185 HG13 ILE 18 HG11 ILE 18 41.126 16.285 -3.777 186 HG21 ILE 18 HG21 ILE 18 37.861 17.925 -2.716 187 HG22 ILE 18 HG22 ILE 18 38.799 17.558 -1.248 188 HG23 ILE 18 HG23 ILE 18 37.399 16.551 -1.687 189 HD11 ILE 18 HD1 ILE 18 39.495 18.128 -4.642 190 HD12 ILE 18 HD2 ILE 18 41.184 18.591 -4.327 191 HD13 ILE 18 HD3 ILE 18 39.917 18.998 -3.147 192 H GLY 19 HN GLY 19 38.591 13.392 -0.237 193 HA2 GLY 19 HA1 GLY 19 35.881 13.011 -1.332 194 HA3 GLY 19 HA2 GLY 19 36.910 11.564 -1.363 195 H GLY 20 HN GLY 20 38.352 11.799 0.963 196 HA2 GLY 20 HA1 GLY 20 36.289 11.077 2.925 197 HA3 GLY 20 HA2 GLY 20 38.049 10.980 3.132 198 H ALA 21 HN ALA 21 38.811 13.593 2.581 199 HA ALA 21 HA ALA 21 38.642 14.866 5.035 200 HB1 ALA 21 HB1 ALA 21 38.811 16.093 2.266 201 HB2 ALA 21 HB2 ALA 21 40.159 15.642 3.339 202 HB3 ALA 21 HB3 ALA 21 39.089 16.997 3.772 203 H ALA 22 HN ALA 22 36.596 15.725 2.196 204 HA ALA 22 HA ALA 22 34.882 17.451 3.737 205 HB1 ALA 22 HB1 ALA 22 33.349 17.204 1.743 206 HB2 ALA 22 HB2 ALA 22 34.521 16.042 1.075 207 HB3 ALA 22 HB3 ALA 22 35.004 17.731 1.358 208 H LEU 23 HN LEU 23 34.595 14.050 2.657 209 HA LEU 23 HA LEU 23 32.027 13.742 4.101 210 HB2 LEU 23 HB2 LEU 23 33.731 11.623 2.741 211 HB3 LEU 23 HB1 LEU 23 32.014 11.507 3.184 212 HG LEU 23 HG LEU 23 33.165 13.507 1.185 213 HD11 LEU 23 HD11 LEU 23 32.208 12.092 -0.543 214 HD12 LEU 23 HD12 LEU 23 31.498 11.006 0.675 215 HD13 LEU 23 HD13 LEU 23 33.265 11.084 0.472 216 HD21 LEU 23 HD21 LEU 23 30.618 13.607 0.590 217 HD22 LEU 23 HD22 LEU 23 31.166 14.461 2.048 218 HD23 LEU 23 HD23 LEU 23 30.361 12.881 2.194 219 H ASP 24 HN ASP 24 33.909 14.559 5.898 220 HA ASP 24 HA ASP 24 33.852 12.357 7.788 221 HB2 ASP 24 HB2 ASP 24 35.836 11.709 6.387 222 HB3 ASP 24 HB1 ASP 24 36.606 13.247 6.848 223 H HIS 25 HN HIS 25 35.203 15.499 6.815 224 HA HIS 25 HA HIS 25 35.869 16.428 9.436 225 HB2 HIS 25 HB2 HIS 25 36.606 17.539 7.351 226 HB3 HIS 25 HB1 HIS 25 34.926 18.017 7.015 227 HD1 HIS 25 HD1 HIS 25 34.532 20.392 7.638 228 HD2 HIS 25 HD2 HIS 25 37.195 18.499 10.286 229 HE1 HIS 25 HE1 HIS 25 35.180 22.105 9.420 230 H LEU 26 HN LEU 26 33.174 17.775 7.512 231 HA LEU 26 HA LEU 26 31.131 18.623 8.229 232 HB2 LEU 26 HB2 LEU 26 31.331 15.955 9.666 233 HB3 LEU 26 HB1 LEU 26 29.885 16.980 9.821 234 HG LEU 26 HG LEU 26 29.605 16.976 7.364 235 HD11 LEU 26 HD11 LEU 26 32.166 15.336 7.483 236 HD12 LEU 26 HD12 LEU 26 31.812 16.777 6.498 237 HD13 LEU 26 HD13 LEU 26 31.049 15.222 6.100 238 HD21 LEU 26 HD21 LEU 26 30.002 14.144 8.425 239 HD22 LEU 26 HD22 LEU 26 28.878 14.665 7.147 240 HD23 LEU 26 HD23 LEU 26 28.608 15.172 8.833 Start of MODEL 49 1 H1 GLY 1 HT1 GLY 1 57.696 0.504 -6.133 2 H2 GLY 1 HT2 GLY 1 59.272 -0.104 -6.320 3 H3 GLY 1 HT3 GLY 1 59.025 1.549 -6.014 4 HA2 GLY 1 HA1 GLY 1 57.860 -0.207 -4.078 5 HA3 GLY 1 HA2 GLY 1 59.630 -0.283 -4.182 6 H ARG 2 HN ARG 2 60.814 1.229 -3.193 7 HA ARG 2 HA ARG 2 59.420 3.232 -1.584 8 HB2 ARG 2 HB2 ARG 2 61.533 1.966 -0.925 9 HB3 ARG 2 HB1 ARG 2 62.412 3.002 -2.075 10 HG2 ARG 2 HG2 ARG 2 61.542 5.018 -0.866 11 HG3 ARG 2 HG1 ARG 2 60.780 3.937 0.327 12 HD2 ARG 2 HD2 ARG 2 62.964 4.719 1.161 13 HD3 ARG 2 HD1 ARG 2 63.012 2.966 0.852 14 HE ARG 2 HE ARG 2 63.887 4.366 -1.497 15 HH11 ARG 2 HH11 ARG 2 65.009 2.228 0.677 16 HH12 ARG 2 HH12 ARG 2 66.609 2.876 0.830 17 HH21 ARG 2 HH21 ARG 2 65.865 5.816 -0.851 18 HH22 ARG 2 HH22 ARG 2 67.094 4.906 -0.037 19 H ARG 3 HN ARG 3 58.453 4.081 -3.749 20 HA ARG 3 HA ARG 3 60.223 5.795 -5.329 21 HB2 ARG 3 HB2 ARG 3 57.183 5.739 -5.187 22 HB3 ARG 3 HB1 ARG 3 58.176 6.477 -6.466 23 HG2 ARG 3 HG2 ARG 3 59.142 4.247 -6.993 24 HG3 ARG 3 HG1 ARG 3 58.114 3.515 -5.736 25 HD2 ARG 3 HD2 ARG 3 56.091 4.321 -6.934 26 HD3 ARG 3 HD1 ARG 3 57.127 5.015 -8.202 27 HE ARG 3 HE ARG 3 56.401 2.224 -7.960 28 HH11 ARG 3 HH11 ARG 3 57.538 0.710 -9.204 29 HH12 ARG 3 HH12 ARG 3 58.915 1.227 -10.118 30 HH21 ARG 3 HH21 ARG 3 58.789 4.493 -8.962 31 HH22 ARG 3 HH22 ARG 3 59.622 3.369 -9.982 32 H LYS 4 HN LYS 4 58.304 6.094 -2.430 33 HA LYS 4 HA LYS 4 59.409 8.707 -1.872 34 HB2 LYS 4 HB2 LYS 4 57.567 9.177 -3.623 35 HB3 LYS 4 HB1 LYS 4 56.407 8.720 -2.355 36 HG2 LYS 4 HG2 LYS 4 57.364 10.460 -0.859 37 HG3 LYS 4 HG1 LYS 4 58.514 10.920 -2.137 38 HD2 LYS 4 HD2 LYS 4 56.717 11.616 -3.604 39 HD3 LYS 4 HD1 LYS 4 55.489 10.958 -2.494 40 HE2 LYS 4 HE2 LYS 4 56.217 12.576 -0.750 41 HE3 LYS 4 HE1 LYS 4 57.404 13.254 -1.889 42 HZ1 LYS 4 HZ1 LYS 4 54.669 13.053 -2.866 43 HZ2 LYS 4 HZ2 LYS 4 55.809 14.298 -3.060 44 HZ3 LYS 4 HZ3 LYS 4 54.918 14.176 -1.619 45 H ARG 5 HN ARG 5 59.565 6.439 -0.427 46 HA ARG 5 HA ARG 5 58.986 5.421 1.593 47 HB2 ARG 5 HB2 ARG 5 58.277 8.262 2.410 48 HB3 ARG 5 HB1 ARG 5 58.868 6.945 3.450 49 HG2 ARG 5 HG2 ARG 5 60.989 6.904 2.087 50 HG3 ARG 5 HG1 ARG 5 60.401 8.342 1.216 51 HD2 ARG 5 HD2 ARG 5 61.017 8.096 4.189 52 HD3 ARG 5 HD1 ARG 5 61.834 9.132 2.994 53 HE ARG 5 HE ARG 5 59.127 9.897 2.951 54 HH11 ARG 5 HH11 ARG 5 60.280 12.215 3.482 55 HH12 ARG 5 HH12 ARG 5 60.359 12.438 5.198 56 HH21 ARG 5 HH21 ARG 5 59.843 9.087 5.925 57 HH22 ARG 5 HH22 ARG 5 60.113 10.668 6.580 58 H LYS 6 HN LYS 6 57.116 6.388 3.590 59 HA LYS 6 HA LYS 6 54.678 5.180 2.461 60 HB2 LYS 6 HB2 LYS 6 54.978 6.463 5.199 61 HB3 LYS 6 HB1 LYS 6 53.863 5.171 4.696 62 HG2 LYS 6 HG2 LYS 6 56.902 4.953 4.874 63 HG3 LYS 6 HG1 LYS 6 55.729 4.233 6.002 64 HD2 LYS 6 HD2 LYS 6 54.732 3.038 3.927 65 HD3 LYS 6 HD1 LYS 6 56.224 3.521 3.085 66 HE2 LYS 6 HE2 LYS 6 57.567 2.390 4.855 67 HE3 LYS 6 HE1 LYS 6 56.059 1.858 5.637 68 HZ1 LYS 6 HZ1 LYS 6 55.732 0.282 4.098 69 HZ2 LYS 6 HZ2 LYS 6 57.386 0.464 3.754 70 HZ3 LYS 6 HZ3 LYS 6 56.226 1.267 2.808 71 H TRP 7 HN TRP 7 54.326 6.836 0.810 72 HA TRP 7 HA TRP 7 52.346 8.750 1.688 73 HB2 TRP 7 HB2 TRP 7 54.471 9.923 2.401 74 HB3 TRP 7 HB1 TRP 7 54.955 9.960 0.689 75 HD1 TRP 7 HD1 TRP 7 53.805 11.690 -0.869 76 HE1 TRP 7 HE1 TRP 7 52.138 13.653 -0.511 77 HE3 TRP 7 HE3 TRP 7 52.369 10.662 3.936 78 HZ2 TRP 7 HZ2 TRP 7 50.425 14.618 1.593 79 HZ3 TRP 7 HZ3 TRP 7 50.717 12.117 5.099 80 HH2 TRP 7 HH2 TRP 7 49.746 14.092 3.933 81 H LEU 8 HN LEU 8 53.747 6.758 -0.487 82 HA LEU 8 HA LEU 8 53.543 8.093 -2.967 83 HB2 LEU 8 HB2 LEU 8 52.642 5.246 -3.079 84 HB3 LEU 8 HB1 LEU 8 53.999 6.047 -3.890 85 HG LEU 8 HG LEU 8 55.106 6.051 -1.487 86 HD11 LEU 8 HD11 LEU 8 53.315 3.610 -1.146 87 HD12 LEU 8 HD12 LEU 8 52.843 5.189 -0.483 88 HD13 LEU 8 HD13 LEU 8 54.347 4.412 0.060 89 HD21 LEU 8 HD21 LEU 8 55.971 3.725 -1.905 90 HD22 LEU 8 HD22 LEU 8 55.992 4.754 -3.357 91 HD23 LEU 8 HD23 LEU 8 54.720 3.525 -3.156 92 H ARG 9 HN ARG 9 51.095 5.581 -2.216 93 HA ARG 9 HA ARG 9 48.919 7.579 -2.672 94 HB2 ARG 9 HB2 ARG 9 49.582 5.200 -4.430 95 HB3 ARG 9 HB1 ARG 9 47.889 5.702 -4.249 96 HG2 ARG 9 HG2 ARG 9 50.007 7.761 -4.966 97 HG3 ARG 9 HG1 ARG 9 49.345 6.698 -6.222 98 HD2 ARG 9 HD2 ARG 9 47.726 8.557 -4.417 99 HD3 ARG 9 HD1 ARG 9 48.072 8.800 -6.142 100 HE ARG 9 HE ARG 9 45.928 7.231 -5.144 101 HH11 ARG 9 HH11 ARG 9 47.852 5.046 -5.993 102 HH12 ARG 9 HH12 ARG 9 47.384 4.797 -7.642 103 HH21 ARG 9 HH21 ARG 9 45.617 7.773 -7.865 104 HH22 ARG 9 HH22 ARG 9 46.118 6.341 -8.702 105 H ARG 10 HN ARG 10 50.105 5.621 -0.516 106 HA ARG 10 HA ARG 10 48.327 3.516 -0.027 107 HB2 ARG 10 HB2 ARG 10 48.704 4.304 2.524 108 HB3 ARG 10 HB1 ARG 10 50.014 3.573 1.569 109 HG2 ARG 10 HG2 ARG 10 51.063 5.650 1.154 110 HG3 ARG 10 HG1 ARG 10 49.599 6.584 1.536 111 HD2 ARG 10 HD2 ARG 10 49.780 5.920 3.911 112 HD3 ARG 10 HD1 ARG 10 51.233 4.961 3.538 113 HE ARG 10 HE ARG 10 52.172 7.273 2.713 114 HH11 ARG 10 HH11 ARG 10 52.639 6.789 5.587 115 HH12 ARG 10 HH12 ARG 10 51.948 8.191 6.333 116 HH21 ARG 10 HH21 ARG 10 50.106 9.098 3.539 117 HH22 ARG 10 HH22 ARG 10 50.512 9.497 5.175 118 H ILE 11 HN ILE 11 47.927 6.355 2.075 119 HA ILE 11 HA ILE 11 44.981 6.024 1.858 120 HB ILE 11 HB ILE 11 46.883 7.428 3.758 121 HG12 ILE 11 HG12 ILE 11 45.896 5.015 4.001 122 HG13 ILE 11 HG11 ILE 11 45.892 6.081 5.420 123 HG21 ILE 11 HG21 ILE 11 45.368 9.240 3.402 124 HG22 ILE 11 HG22 ILE 11 44.836 8.454 4.903 125 HG23 ILE 11 HG23 ILE 11 43.952 8.163 3.387 126 HD11 ILE 11 HD1 ILE 11 43.550 6.517 5.223 127 HD12 ILE 11 HD2 ILE 11 43.720 4.773 4.934 128 HD13 ILE 11 HD3 ILE 11 43.477 5.877 3.566 129 H GLY 12 HN GLY 12 47.495 7.814 0.440 130 HA2 GLY 12 HA1 GLY 12 46.314 10.366 0.094 131 HA3 GLY 12 HA2 GLY 12 47.454 9.601 -1.031 132 H LYS 13 HN LYS 13 45.879 7.334 -1.697 133 HA LYS 13 HA LYS 13 44.379 8.307 -3.881 134 HB2 LYS 13 HB2 LYS 13 45.097 5.984 -3.746 135 HB3 LYS 13 HB1 LYS 13 44.105 5.725 -2.293 136 HG2 LYS 13 HG2 LYS 13 42.060 5.954 -3.523 137 HG3 LYS 13 HG1 LYS 13 42.905 6.610 -4.945 138 HD2 LYS 13 HD2 LYS 13 42.238 4.200 -5.215 139 HD3 LYS 13 HD1 LYS 13 43.992 4.459 -5.350 140 HE2 LYS 13 HE2 LYS 13 44.412 3.561 -3.191 141 HE3 LYS 13 HE1 LYS 13 42.710 3.725 -2.692 142 HZ1 LYS 13 HZ1 LYS 13 43.890 1.788 -4.605 143 HZ2 LYS 13 HZ2 LYS 13 42.221 2.099 -4.555 144 HZ3 LYS 13 HZ3 LYS 13 43.012 1.469 -3.190 145 H GLY 14 HN GLY 14 43.722 8.433 -0.556 146 HA2 GLY 14 HA1 GLY 14 40.765 8.694 -0.967 147 HA3 GLY 14 HA2 GLY 14 41.596 8.437 0.579 148 H VAL 15 HN VAL 15 43.605 10.384 0.478 149 HA VAL 15 HA VAL 15 41.895 12.857 0.683 150 HB VAL 15 HB VAL 15 43.811 13.750 2.064 151 HG11 VAL 15 HG11 VAL 15 43.243 12.382 4.051 152 HG12 VAL 15 HG12 VAL 15 42.543 11.134 2.992 153 HG13 VAL 15 HG13 VAL 15 41.792 12.745 3.087 154 HG21 VAL 15 HG21 VAL 15 45.616 12.322 1.225 155 HG22 VAL 15 HG22 VAL 15 44.762 10.865 1.789 156 HG23 VAL 15 HG23 VAL 15 45.403 12.032 2.966 157 H LYS 16 HN LYS 16 44.993 11.641 -0.670 158 HA LYS 16 HA LYS 16 45.923 14.114 -1.697 159 HB2 LYS 16 HB2 LYS 16 47.136 11.858 -1.691 160 HB3 LYS 16 HB1 LYS 16 46.201 11.456 -3.152 161 HG2 LYS 16 HG2 LYS 16 47.074 13.726 -4.097 162 HG3 LYS 16 HG1 LYS 16 48.252 13.672 -2.767 163 HD2 LYS 16 HD2 LYS 16 47.871 11.568 -4.944 164 HD3 LYS 16 HD1 LYS 16 49.241 12.690 -4.784 165 HE2 LYS 16 HE2 LYS 16 48.499 10.350 -3.004 166 HE3 LYS 16 HE1 LYS 16 50.038 10.666 -3.835 167 HZ1 LYS 16 HZ1 LYS 16 50.617 11.433 -1.814 168 HZ2 LYS 16 HZ2 LYS 16 49.018 11.739 -1.327 169 HZ3 LYS 16 HZ3 LYS 16 49.834 12.848 -2.325 170 H ILE 17 HN ILE 17 43.882 11.627 -3.308 171 HA ILE 17 HA ILE 17 43.501 13.225 -5.679 172 HB ILE 17 HB ILE 17 43.155 10.666 -5.359 173 HG12 ILE 17 HG12 ILE 17 40.970 12.222 -6.824 174 HG13 ILE 17 HG11 ILE 17 42.613 11.959 -7.451 175 HG21 ILE 17 HG21 ILE 17 41.521 11.066 -3.414 176 HG22 ILE 17 HG22 ILE 17 41.020 9.880 -4.641 177 HG23 ILE 17 HG23 ILE 17 40.324 11.517 -4.649 178 HD11 ILE 17 HD1 ILE 17 42.146 9.432 -7.094 179 HD12 ILE 17 HD2 ILE 17 41.310 10.236 -8.443 180 HD13 ILE 17 HD3 ILE 17 40.438 9.904 -6.929 181 H ILE 18 HN ILE 18 42.661 14.027 -2.665 182 HA ILE 18 HA ILE 18 41.120 15.503 -1.773 183 HB ILE 18 HB ILE 18 40.231 16.142 -4.619 184 HG12 ILE 18 HG12 ILE 18 42.624 17.242 -3.069 185 HG13 ILE 18 HG11 ILE 18 42.715 16.185 -4.498 186 HG21 ILE 18 HG21 ILE 18 39.611 18.266 -3.702 187 HG22 ILE 18 HG22 ILE 18 40.504 17.963 -2.193 188 HG23 ILE 18 HG23 ILE 18 39.012 17.060 -2.543 189 HD11 ILE 18 HD1 ILE 18 41.284 18.007 -5.691 190 HD12 ILE 18 HD2 ILE 18 43.000 18.368 -5.383 191 HD13 ILE 18 HD3 ILE 18 41.745 19.057 -4.328 192 H GLY 19 HN GLY 19 39.890 13.860 -0.817 193 HA2 GLY 19 HA1 GLY 19 37.736 12.563 -2.290 194 HA3 GLY 19 HA2 GLY 19 38.046 12.470 -0.544 195 H GLY 20 HN GLY 20 36.451 14.238 -3.136 196 HA2 GLY 20 HA1 GLY 20 35.399 16.400 -1.650 197 HA3 GLY 20 HA2 GLY 20 34.633 15.667 -3.073 198 H ALA 21 HN ALA 21 32.604 16.200 -2.014 199 HA ALA 21 HA ALA 21 30.767 15.660 -0.700 200 HB1 ALA 21 HB1 ALA 21 32.027 12.897 -0.782 201 HB2 ALA 21 HB2 ALA 21 30.975 13.589 -2.042 202 HB3 ALA 21 HB3 ALA 21 30.327 13.271 -0.414 203 H ALA 22 HN ALA 22 33.639 16.074 0.532 204 HA ALA 22 HA ALA 22 32.725 16.049 3.273 205 HB1 ALA 22 HB1 ALA 22 34.759 13.939 2.468 206 HB2 ALA 22 HB2 ALA 22 33.121 13.647 3.102 207 HB3 ALA 22 HB3 ALA 22 34.359 14.392 4.141 208 H LEU 23 HN LEU 23 35.759 15.612 1.389 209 HA LEU 23 HA LEU 23 37.092 17.686 3.024 210 HB2 LEU 23 HB2 LEU 23 38.172 15.517 2.143 211 HB3 LEU 23 HB1 LEU 23 38.172 16.298 0.547 212 HG LEU 23 HG LEU 23 39.334 18.317 1.850 213 HD11 LEU 23 HD11 LEU 23 39.937 15.916 3.641 214 HD12 LEU 23 HD12 LEU 23 39.127 17.424 4.122 215 HD13 LEU 23 HD13 LEU 23 40.843 17.445 3.665 216 HD21 LEU 23 HD21 LEU 23 41.554 17.317 1.370 217 HD22 LEU 23 HD22 LEU 23 40.399 16.987 0.056 218 HD23 LEU 23 HD23 LEU 23 40.799 15.712 1.230 219 H ASP 24 HN ASP 24 34.943 18.858 1.855 220 HA ASP 24 HA ASP 24 36.214 20.926 0.258 221 HB2 ASP 24 HB2 ASP 24 35.933 19.241 -1.517 222 HB3 ASP 24 HB1 ASP 24 34.202 19.109 -1.128 223 H HIS 25 HN HIS 25 33.032 19.350 0.839 224 HA HIS 25 HA HIS 25 31.008 20.276 1.496 225 HB2 HIS 25 HB2 HIS 25 32.300 20.612 3.580 226 HB3 HIS 25 HB1 HIS 25 32.837 22.201 2.987 227 HD1 HIS 25 HD1 HIS 25 29.335 21.107 2.201 228 HD2 HIS 25 HD2 HIS 25 31.302 23.527 5.023 229 HE1 HIS 25 HE1 HIS 25 27.543 22.445 3.438 230 H LEU 26 HN LEU 26 30.125 21.039 -0.385 231 HA LEU 26 HA LEU 26 30.973 23.508 -1.632 232 HB2 LEU 26 HB2 LEU 26 28.237 22.221 -1.918 233 HB3 LEU 26 HB1 LEU 26 29.132 23.193 -3.110 234 HG LEU 26 HG LEU 26 29.905 20.423 -2.087 235 HD11 LEU 26 HD11 LEU 26 29.375 19.677 -4.333 236 HD12 LEU 26 HD12 LEU 26 29.101 21.349 -4.878 237 HD13 LEU 26 HD13 LEU 26 27.977 20.593 -3.723 238 HD21 LEU 26 HD21 LEU 26 31.962 21.563 -2.507 239 HD22 LEU 26 HD22 LEU 26 31.299 22.418 -3.921 240 HD23 LEU 26 HD23 LEU 26 31.634 20.672 -4.011 Start of MODEL 50 1 H1 GLY 1 HT1 GLY 1 56.675 -2.325 -3.964 2 H2 GLY 1 HT2 GLY 1 55.732 -1.877 -2.622 3 H3 GLY 1 HT3 GLY 1 56.436 -3.423 -2.694 4 HA2 GLY 1 HA1 GLY 1 57.834 -2.376 -1.289 5 HA3 GLY 1 HA2 GLY 1 58.626 -2.171 -2.862 6 H ARG 2 HN ARG 2 58.691 -0.565 -0.327 7 HA ARG 2 HA ARG 2 57.250 1.876 -0.695 8 HB2 ARG 2 HB2 ARG 2 59.965 1.452 0.615 9 HB3 ARG 2 HB1 ARG 2 58.884 2.844 0.858 10 HG2 ARG 2 HG2 ARG 2 57.149 1.373 1.792 11 HG3 ARG 2 HG1 ARG 2 58.170 -0.054 1.488 12 HD2 ARG 2 HD2 ARG 2 59.916 0.907 2.994 13 HD3 ARG 2 HD1 ARG 2 58.835 2.277 3.341 14 HE ARG 2 HE ARG 2 57.376 -0.081 3.909 15 HH11 ARG 2 HH11 ARG 2 60.332 1.406 4.868 16 HH12 ARG 2 HH12 ARG 2 60.205 0.903 6.520 17 HH21 ARG 2 HH21 ARG 2 57.148 -0.674 6.083 18 HH22 ARG 2 HH22 ARG 2 58.404 -0.274 7.208 19 H ARG 3 HN ARG 3 57.321 2.560 -2.841 20 HA ARG 3 HA ARG 3 59.723 2.825 -4.370 21 HB2 ARG 3 HB2 ARG 3 57.265 4.604 -4.582 22 HB3 ARG 3 HB1 ARG 3 58.424 4.182 -5.866 23 HG2 ARG 3 HG2 ARG 3 57.750 1.771 -5.607 24 HG3 ARG 3 HG1 ARG 3 56.494 2.291 -4.456 25 HD2 ARG 3 HD2 ARG 3 56.744 3.219 -7.352 26 HD3 ARG 3 HD1 ARG 3 55.560 2.039 -6.740 27 HE ARG 3 HE ARG 3 55.151 4.280 -5.152 28 HH11 ARG 3 HH11 ARG 3 52.792 3.986 -6.408 29 HH12 ARG 3 HH12 ARG 3 52.758 5.065 -7.764 30 HH21 ARG 3 HH21 ARG 3 56.194 5.529 -7.818 31 HH22 ARG 3 HH22 ARG 3 54.684 5.938 -8.562 32 H LYS 4 HN LYS 4 58.230 4.820 -1.896 33 HA LYS 4 HA LYS 4 60.660 6.365 -1.572 34 HB2 LYS 4 HB2 LYS 4 59.583 8.602 -2.070 35 HB3 LYS 4 HB1 LYS 4 59.943 7.608 -3.501 36 HG2 LYS 4 HG2 LYS 4 57.513 6.759 -3.344 37 HG3 LYS 4 HG1 LYS 4 57.240 8.068 -2.173 38 HD2 LYS 4 HD2 LYS 4 58.198 8.375 -5.052 39 HD3 LYS 4 HD1 LYS 4 56.601 8.828 -4.412 40 HE2 LYS 4 HE2 LYS 4 59.295 10.113 -3.862 41 HE3 LYS 4 HE1 LYS 4 57.796 10.875 -4.443 42 HZ1 LYS 4 HZ1 LYS 4 58.296 11.292 -2.063 43 HZ2 LYS 4 HZ2 LYS 4 58.102 9.633 -1.755 44 HZ3 LYS 4 HZ3 LYS 4 56.790 10.555 -2.318 45 H ARG 5 HN ARG 5 59.656 4.912 0.308 46 HA ARG 5 HA ARG 5 58.799 4.938 2.463 47 HB2 ARG 5 HB2 ARG 5 58.758 7.969 2.227 48 HB3 ARG 5 HB1 ARG 5 58.908 6.984 3.701 49 HG2 ARG 5 HG2 ARG 5 61.070 6.056 2.769 50 HG3 ARG 5 HG1 ARG 5 60.941 7.239 1.444 51 HD2 ARG 5 HD2 ARG 5 60.987 9.096 3.033 52 HD3 ARG 5 HD1 ARG 5 60.957 7.964 4.407 53 HE ARG 5 HE ARG 5 63.268 7.560 4.061 54 HH11 ARG 5 HH11 ARG 5 63.249 6.874 1.183 55 HH12 ARG 5 HH12 ARG 5 64.129 8.184 0.470 56 HH21 ARG 5 HH21 ARG 5 63.803 10.257 3.230 57 HH22 ARG 5 HH22 ARG 5 64.442 10.099 1.629 58 H LYS 6 HN LYS 6 57.005 6.627 3.763 59 HA LYS 6 HA LYS 6 54.513 5.772 2.461 60 HB2 LYS 6 HB2 LYS 6 55.017 7.358 5.009 61 HB3 LYS 6 HB1 LYS 6 53.454 6.671 4.503 62 HG2 LYS 6 HG2 LYS 6 54.281 4.420 4.659 63 HG3 LYS 6 HG1 LYS 6 55.963 4.975 4.828 64 HD2 LYS 6 HD2 LYS 6 55.274 6.118 6.990 65 HD3 LYS 6 HD1 LYS 6 53.699 5.300 6.842 66 HE2 LYS 6 HE2 LYS 6 56.398 3.878 6.882 67 HE3 LYS 6 HE1 LYS 6 55.314 4.039 8.286 68 HZ1 LYS 6 HZ1 LYS 6 53.894 3.085 6.016 69 HZ2 LYS 6 HZ2 LYS 6 54.082 2.366 7.543 70 HZ3 LYS 6 HZ3 LYS 6 55.233 2.091 6.324 71 H TRP 7 HN TRP 7 54.463 7.004 0.544 72 HA TRP 7 HA TRP 7 53.135 9.561 0.876 73 HB2 TRP 7 HB2 TRP 7 55.657 10.084 1.173 74 HB3 TRP 7 HB1 TRP 7 55.813 9.712 -0.559 75 HD1 TRP 7 HD1 TRP 7 55.269 11.609 -2.184 76 HE1 TRP 7 HE1 TRP 7 54.172 13.961 -2.028 77 HE3 TRP 7 HE3 TRP 7 53.668 11.432 2.676 78 HZ2 TRP 7 HZ2 TRP 7 52.792 15.527 -0.041 79 HZ3 TRP 7 HZ3 TRP 7 52.463 13.365 3.679 80 HH2 TRP 7 HH2 TRP 7 52.024 15.411 2.328 81 H LEU 8 HN LEU 8 53.781 6.746 -0.670 82 HA LEU 8 HA LEU 8 53.439 7.556 -3.439 83 HB2 LEU 8 HB2 LEU 8 53.291 5.199 -3.930 84 HB3 LEU 8 HB1 LEU 8 54.564 5.438 -2.719 85 HG LEU 8 HG LEU 8 51.708 4.525 -2.095 86 HD11 LEU 8 HD11 LEU 8 54.324 2.967 -2.152 87 HD12 LEU 8 HD12 LEU 8 53.044 2.869 -3.386 88 HD13 LEU 8 HD13 LEU 8 52.720 2.326 -1.723 89 HD21 LEU 8 HD21 LEU 8 52.527 5.572 -0.121 90 HD22 LEU 8 HD22 LEU 8 54.195 5.017 -0.409 91 HD23 LEU 8 HD23 LEU 8 52.946 3.863 0.112 92 H ARG 9 HN ARG 9 51.430 8.604 -1.541 93 HA ARG 9 HA ARG 9 49.159 9.011 -1.542 94 HB2 ARG 9 HB2 ARG 9 49.029 7.494 -4.175 95 HB3 ARG 9 HB1 ARG 9 47.887 8.708 -3.567 96 HG2 ARG 9 HG2 ARG 9 50.819 9.401 -4.020 97 HG3 ARG 9 HG1 ARG 9 49.641 9.461 -5.345 98 HD2 ARG 9 HD2 ARG 9 49.444 10.996 -2.712 99 HD3 ARG 9 HD1 ARG 9 49.871 11.680 -4.296 100 HE ARG 9 HE ARG 9 47.176 10.990 -3.394 101 HH11 ARG 9 HH11 ARG 9 48.640 12.963 -5.491 102 HH12 ARG 9 HH12 ARG 9 47.683 12.586 -6.885 103 HH21 ARG 9 HH21 ARG 9 46.212 9.796 -5.443 104 HH22 ARG 9 HH22 ARG 9 46.308 10.792 -6.857 105 H ARG 10 HN ARG 10 50.107 6.801 -0.107 106 HA ARG 10 HA ARG 10 48.716 4.375 -0.525 107 HB2 ARG 10 HB2 ARG 10 48.708 4.450 2.178 108 HB3 ARG 10 HB1 ARG 10 50.209 4.204 1.256 109 HG2 ARG 10 HG2 ARG 10 50.911 6.451 1.535 110 HG3 ARG 10 HG1 ARG 10 49.281 7.013 1.967 111 HD2 ARG 10 HD2 ARG 10 50.973 5.117 3.657 112 HD3 ARG 10 HD1 ARG 10 50.803 6.864 3.949 113 HE ARG 10 HE ARG 10 48.199 5.649 3.811 114 HH11 ARG 10 HH11 ARG 10 47.075 5.597 5.779 115 HH12 ARG 10 HH12 ARG 10 47.964 5.466 7.261 116 HH21 ARG 10 HH21 ARG 10 51.066 5.603 5.716 117 HH22 ARG 10 HH22 ARG 10 50.224 5.471 7.225 118 H ILE 11 HN ILE 11 47.661 6.323 2.236 119 HA ILE 11 HA ILE 11 44.869 5.662 1.663 120 HB ILE 11 HB ILE 11 45.732 5.854 4.006 121 HG12 ILE 11 HG12 ILE 11 43.648 7.988 3.332 122 HG13 ILE 11 HG11 ILE 11 43.307 6.247 3.437 123 HG21 ILE 11 HG21 ILE 11 45.847 8.855 3.497 124 HG22 ILE 11 HG22 ILE 11 47.284 7.810 3.396 125 HG23 ILE 11 HG23 ILE 11 46.402 7.963 4.933 126 HD11 ILE 11 HD1 ILE 11 44.318 6.382 5.823 127 HD12 ILE 11 HD2 ILE 11 42.715 7.112 5.570 128 HD13 ILE 11 HD3 ILE 11 44.158 8.147 5.647 129 H GLY 12 HN GLY 12 47.102 8.238 0.937 130 HA2 GLY 12 HA1 GLY 12 45.352 10.431 0.669 131 HA3 GLY 12 HA2 GLY 12 46.803 10.159 -0.322 132 H LYS 13 HN LYS 13 46.089 7.799 -1.613 133 HA LYS 13 HA LYS 13 44.726 8.663 -3.884 134 HB2 LYS 13 HB2 LYS 13 45.928 6.519 -3.734 135 HB3 LYS 13 HB1 LYS 13 44.674 5.886 -2.639 136 HG2 LYS 13 HG2 LYS 13 42.994 5.984 -4.362 137 HG3 LYS 13 HG1 LYS 13 44.064 6.914 -5.438 138 HD2 LYS 13 HD2 LYS 13 43.962 4.518 -6.099 139 HD3 LYS 13 HD1 LYS 13 45.603 4.991 -5.599 140 HE2 LYS 13 HE2 LYS 13 45.435 3.848 -3.529 141 HE3 LYS 13 HE1 LYS 13 43.656 3.794 -3.592 142 HZ1 LYS 13 HZ1 LYS 13 44.036 1.721 -4.332 143 HZ2 LYS 13 HZ2 LYS 13 45.622 2.056 -4.845 144 HZ3 LYS 13 HZ3 LYS 13 44.300 2.478 -5.827 145 H GLY 14 HN GLY 14 43.460 8.045 -0.754 146 HA2 GLY 14 HA1 GLY 14 40.657 7.770 -1.738 147 HA3 GLY 14 HA2 GLY 14 41.235 7.514 -0.080 148 H VAL 15 HN VAL 15 42.688 9.878 0.386 149 HA VAL 15 HA VAL 15 40.396 11.835 0.434 150 HB VAL 15 HB VAL 15 41.779 12.978 2.234 151 HG11 VAL 15 HG11 VAL 15 41.148 11.340 3.964 152 HG12 VAL 15 HG12 VAL 15 40.996 10.070 2.726 153 HG13 VAL 15 HG13 VAL 15 39.875 11.454 2.725 154 HG21 VAL 15 HG21 VAL 15 43.385 10.396 1.969 155 HG22 VAL 15 HG22 VAL 15 43.511 11.531 3.333 156 HG23 VAL 15 HG23 VAL 15 43.982 12.052 1.700 157 H LYS 16 HN LYS 16 43.926 11.618 -0.273 158 HA LYS 16 HA LYS 16 44.195 14.370 -1.010 159 HB2 LYS 16 HB2 LYS 16 45.709 11.872 -1.839 160 HB3 LYS 16 HB1 LYS 16 46.159 13.484 -2.429 161 HG2 LYS 16 HG2 LYS 16 45.789 13.082 0.559 162 HG3 LYS 16 HG1 LYS 16 47.275 12.480 -0.207 163 HD2 LYS 16 HD2 LYS 16 47.814 14.697 -1.057 164 HD3 LYS 16 HD1 LYS 16 46.258 15.344 -0.490 165 HE2 LYS 16 HE2 LYS 16 48.189 15.865 1.046 166 HE3 LYS 16 HE1 LYS 16 46.876 14.957 1.832 167 HZ1 LYS 16 HZ1 LYS 16 48.988 13.389 0.563 168 HZ2 LYS 16 HZ2 LYS 16 48.138 13.107 2.007 169 HZ3 LYS 16 HZ3 LYS 16 49.415 14.227 1.975 170 H ILE 17 HN ILE 17 42.973 11.540 -2.733 171 HA ILE 17 HA ILE 17 43.025 12.723 -5.355 172 HB ILE 17 HB ILE 17 42.632 10.222 -4.643 173 HG12 ILE 17 HG12 ILE 17 41.054 9.911 -6.717 174 HG13 ILE 17 HG11 ILE 17 41.167 11.673 -6.886 175 HG21 ILE 17 HG21 ILE 17 40.609 10.891 -3.216 176 HG22 ILE 17 HG22 ILE 17 40.382 9.500 -4.303 177 HG23 ILE 17 HG23 ILE 17 39.721 11.090 -4.746 178 HD11 ILE 17 HD1 ILE 17 43.673 9.960 -6.664 179 HD12 ILE 17 HD2 ILE 17 43.501 11.600 -7.331 180 HD13 ILE 17 HD3 ILE 17 42.853 10.208 -8.220 181 H ILE 18 HN ILE 18 41.512 13.762 -2.639 182 HA ILE 18 HA ILE 18 39.812 15.276 -2.253 183 HB ILE 18 HB ILE 18 39.591 15.675 -5.266 184 HG12 ILE 18 HG12 ILE 18 41.593 16.853 -3.281 185 HG13 ILE 18 HG11 ILE 18 41.968 15.811 -4.672 186 HG21 ILE 18 HG21 ILE 18 38.764 17.847 -4.682 187 HG22 ILE 18 HG22 ILE 18 39.286 17.675 -2.989 188 HG23 ILE 18 HG23 ILE 18 37.921 16.713 -3.604 189 HD11 ILE 18 HD1 ILE 18 40.975 18.681 -4.672 190 HD12 ILE 18 HD2 ILE 18 40.803 17.644 -6.111 191 HD13 ILE 18 HD3 ILE 18 42.420 18.005 -5.459 192 H GLY 19 HN GLY 19 38.605 13.373 -1.571 193 HA2 GLY 19 HA1 GLY 19 35.958 13.371 -2.504 194 HA3 GLY 19 HA2 GLY 19 36.778 12.056 -3.369 195 H GLY 20 HN GLY 20 37.148 13.302 -0.031 196 HA2 GLY 20 HA1 GLY 20 35.807 10.999 1.131 197 HA3 GLY 20 HA2 GLY 20 37.573 10.863 1.226 198 H ALA 21 HN ALA 21 38.691 12.939 2.035 199 HA ALA 21 HA ALA 21 37.870 13.391 4.707 200 HB1 ALA 21 HB1 ALA 21 40.145 13.817 3.897 201 HB2 ALA 21 HB2 ALA 21 39.473 15.270 4.676 202 HB3 ALA 21 HB3 ALA 21 39.550 15.165 2.900 203 H ALA 22 HN ALA 22 37.594 15.618 1.895 204 HA ALA 22 HA ALA 22 35.956 17.505 3.354 205 HB1 ALA 22 HB1 ALA 22 36.378 17.074 0.376 206 HB2 ALA 22 HB2 ALA 22 37.261 18.208 1.428 207 HB3 ALA 22 HB3 ALA 22 35.530 18.466 1.091 208 H LEU 23 HN LEU 23 35.347 14.522 1.683 209 HA LEU 23 HA LEU 23 32.533 15.026 1.137 210 HB2 LEU 23 HB2 LEU 23 34.069 13.301 0.009 211 HB3 LEU 23 HB1 LEU 23 33.876 12.325 1.478 212 HG LEU 23 HG LEU 23 31.279 12.701 1.076 213 HD11 LEU 23 HD11 LEU 23 31.396 14.307 -0.755 214 HD12 LEU 23 HD12 LEU 23 30.772 12.775 -1.403 215 HD13 LEU 23 HD13 LEU 23 32.465 13.235 -1.689 216 HD21 LEU 23 HD21 LEU 23 31.215 10.672 -0.351 217 HD22 LEU 23 HD22 LEU 23 32.431 10.513 0.939 218 HD23 LEU 23 HD23 LEU 23 32.942 10.881 -0.726 219 H ASP 24 HN ASP 24 34.422 13.962 3.873 220 HA ASP 24 HA ASP 24 32.049 14.086 5.595 221 HB2 ASP 24 HB2 ASP 24 31.926 11.762 4.644 222 HB3 ASP 24 HB1 ASP 24 33.527 11.436 5.351 223 H HIS 25 HN HIS 25 33.755 15.833 6.051 224 HA HIS 25 HA HIS 25 36.241 15.189 7.268 225 HB2 HIS 25 HB2 HIS 25 36.094 17.434 8.292 226 HB3 HIS 25 HB1 HIS 25 35.611 17.470 6.579 227 HD1 HIS 25 HD1 HIS 25 32.788 16.861 6.381 228 HD2 HIS 25 HD2 HIS 25 34.282 18.926 9.727 229 HE1 HIS 25 HE1 HIS 25 30.817 18.056 7.480 230 H LEU 26 HN LEU 26 36.894 15.157 9.476 231 HA LEU 26 HA LEU 26 34.955 15.037 11.615 232 HB2 LEU 26 HB2 LEU 26 34.922 12.707 12.117 233 HB3 LEU 26 HB1 LEU 26 34.543 12.837 10.387 234 HG LEU 26 HG LEU 26 37.205 12.041 11.648 235 HD11 LEU 26 HD11 LEU 26 35.325 10.617 9.715 236 HD12 LEU 26 HD12 LEU 26 35.431 10.299 11.463 237 HD13 LEU 26 HD13 LEU 26 36.824 9.954 10.410 238 HD21 LEU 26 HD21 LEU 26 37.881 11.746 9.168 239 HD22 LEU 26 HD22 LEU 26 37.827 13.413 9.781 240 HD23 LEU 26 HD23 LEU 26 36.492 12.789 8.781 Start of MODEL 51 1 H1 GLY 1 HT1 GLY 1 54.468 -3.270 0.988 2 H2 GLY 1 HT2 GLY 1 53.921 -1.737 0.498 3 H3 GLY 1 HT3 GLY 1 54.989 -1.884 1.812 4 HA2 GLY 1 HA1 GLY 1 56.564 -2.957 0.188 5 HA3 GLY 1 HA2 GLY 1 55.500 -2.258 -1.048 6 H ARG 2 HN ARG 2 54.854 0.027 0.815 7 HA ARG 2 HA ARG 2 55.609 2.217 0.993 8 HB2 ARG 2 HB2 ARG 2 58.218 0.816 1.700 9 HB3 ARG 2 HB1 ARG 2 57.800 2.505 2.076 10 HG2 ARG 2 HG2 ARG 2 55.799 1.652 3.359 11 HG3 ARG 2 HG1 ARG 2 56.404 -0.003 3.103 12 HD2 ARG 2 HD2 ARG 2 57.798 2.259 4.594 13 HD3 ARG 2 HD1 ARG 2 57.189 0.732 5.274 14 HE ARG 2 HE ARG 2 59.065 0.089 3.232 15 HH11 ARG 2 HH11 ARG 2 60.797 -1.074 4.264 16 HH12 ARG 2 HH12 ARG 2 61.571 -0.321 5.617 17 HH21 ARG 2 HH21 ARG 2 59.237 2.230 5.871 18 HH22 ARG 2 HH22 ARG 2 60.688 1.550 6.527 19 H ARG 3 HN ARG 3 55.328 2.165 -1.453 20 HA ARG 3 HA ARG 3 57.560 1.918 -3.201 21 HB2 ARG 3 HB2 ARG 3 55.109 2.103 -3.840 22 HB3 ARG 3 HB1 ARG 3 55.238 3.852 -3.539 23 HG2 ARG 3 HG2 ARG 3 56.989 4.064 -5.231 24 HG3 ARG 3 HG1 ARG 3 57.015 2.301 -5.473 25 HD2 ARG 3 HD2 ARG 3 55.688 3.374 -7.247 26 HD3 ARG 3 HD1 ARG 3 54.634 2.385 -6.208 27 HE ARG 3 HE ARG 3 53.554 4.374 -5.525 28 HH11 ARG 3 HH11 ARG 3 56.595 5.006 -7.024 29 HH12 ARG 3 HH12 ARG 3 56.391 6.725 -7.016 30 HH21 ARG 3 HH21 ARG 3 53.279 6.616 -5.490 31 HH22 ARG 3 HH22 ARG 3 54.514 7.638 -6.148 32 H LYS 4 HN LYS 4 56.529 4.514 -1.059 33 HA LYS 4 HA LYS 4 59.113 5.823 -1.343 34 HB2 LYS 4 HB2 LYS 4 57.888 6.607 -3.414 35 HB3 LYS 4 HB1 LYS 4 56.700 7.383 -2.340 36 HG2 LYS 4 HG2 LYS 4 58.448 8.762 -1.326 37 HG3 LYS 4 HG1 LYS 4 59.701 7.925 -2.274 38 HD2 LYS 4 HD2 LYS 4 58.780 8.775 -4.358 39 HD3 LYS 4 HD1 LYS 4 57.383 9.476 -3.505 40 HE2 LYS 4 HE2 LYS 4 58.910 10.969 -2.239 41 HE3 LYS 4 HE1 LYS 4 60.300 10.281 -3.113 42 HZ1 LYS 4 HZ1 LYS 4 58.020 11.798 -4.276 43 HZ2 LYS 4 HZ2 LYS 4 59.200 10.998 -5.201 44 HZ3 LYS 4 HZ3 LYS 4 59.641 12.291 -4.191 45 H ARG 5 HN ARG 5 58.646 5.063 0.933 46 HA ARG 5 HA ARG 5 58.073 5.543 3.127 47 HB2 ARG 5 HB2 ARG 5 58.261 8.384 2.049 48 HB3 ARG 5 HB1 ARG 5 58.275 7.934 3.771 49 HG2 ARG 5 HG2 ARG 5 60.324 6.663 3.492 50 HG3 ARG 5 HG1 ARG 5 60.267 6.870 1.725 51 HD2 ARG 5 HD2 ARG 5 60.430 9.359 2.066 52 HD3 ARG 5 HD1 ARG 5 60.652 9.063 3.808 53 HE ARG 5 HE ARG 5 62.597 7.487 2.578 54 HH11 ARG 5 HH11 ARG 5 61.801 10.769 3.141 55 HH12 ARG 5 HH12 ARG 5 63.319 11.384 2.582 56 HH21 ARG 5 HH21 ARG 5 64.511 8.283 1.588 57 HH22 ARG 5 HH22 ARG 5 64.854 9.977 1.702 58 H LYS 6 HN LYS 6 56.554 8.569 2.697 59 HA LYS 6 HA LYS 6 53.819 7.396 2.445 60 HB2 LYS 6 HB2 LYS 6 54.823 8.954 4.861 61 HB3 LYS 6 HB1 LYS 6 53.102 8.688 4.495 62 HG2 LYS 6 HG2 LYS 6 53.551 6.207 4.478 63 HG3 LYS 6 HG1 LYS 6 55.211 6.551 5.024 64 HD2 LYS 6 HD2 LYS 6 54.368 7.631 7.051 65 HD3 LYS 6 HD1 LYS 6 52.689 7.430 6.494 66 HE2 LYS 6 HE2 LYS 6 52.993 4.959 6.503 67 HE3 LYS 6 HE1 LYS 6 54.654 5.179 7.108 68 HZ1 LYS 6 HZ1 LYS 6 53.189 6.671 8.821 69 HZ2 LYS 6 HZ2 LYS 6 53.700 5.077 9.110 70 HZ3 LYS 6 HZ3 LYS 6 52.138 5.377 8.512 71 H TRP 7 HN TRP 7 54.286 8.596 0.385 72 HA TRP 7 HA TRP 7 52.991 11.212 0.553 73 HB2 TRP 7 HB2 TRP 7 55.942 10.998 -0.158 74 HB3 TRP 7 HB1 TRP 7 54.929 12.344 -0.729 75 HD1 TRP 7 HD1 TRP 7 53.341 13.343 1.535 76 HE1 TRP 7 HE1 TRP 7 54.310 14.172 3.799 77 HE3 TRP 7 HE3 TRP 7 57.864 10.945 1.405 78 HZ2 TRP 7 HZ2 TRP 7 56.729 13.824 5.320 79 HZ3 TRP 7 HZ3 TRP 7 59.487 11.210 3.273 80 HH2 TRP 7 HH2 TRP 7 58.924 12.647 5.230 81 H LEU 8 HN LEU 8 53.330 8.338 -0.770 82 HA LEU 8 HA LEU 8 53.399 9.014 -3.623 83 HB2 LEU 8 HB2 LEU 8 52.444 6.506 -3.661 84 HB3 LEU 8 HB1 LEU 8 54.155 6.831 -3.317 85 HG LEU 8 HG LEU 8 52.244 6.833 -0.966 86 HD11 LEU 8 HD11 LEU 8 53.228 4.307 -2.362 87 HD12 LEU 8 HD12 LEU 8 51.536 4.817 -2.161 88 HD13 LEU 8 HD13 LEU 8 52.502 4.358 -0.739 89 HD21 LEU 8 HD21 LEU 8 54.168 6.107 0.248 90 HD22 LEU 8 HD22 LEU 8 54.804 7.291 -0.917 91 HD23 LEU 8 HD23 LEU 8 54.998 5.552 -1.225 92 H ARG 9 HN ARG 9 50.879 6.949 -2.257 93 HA ARG 9 HA ARG 9 48.751 8.882 -2.415 94 HB2 ARG 9 HB2 ARG 9 47.632 7.738 -4.475 95 HB3 ARG 9 HB1 ARG 9 48.913 8.934 -4.768 96 HG2 ARG 9 HG2 ARG 9 49.252 6.944 -6.179 97 HG3 ARG 9 HG1 ARG 9 50.576 7.102 -5.006 98 HD2 ARG 9 HD2 ARG 9 49.791 5.299 -3.693 99 HD3 ARG 9 HD1 ARG 9 48.145 5.398 -4.364 100 HE ARG 9 HE ARG 9 48.894 3.863 -5.975 101 HH11 ARG 9 HH11 ARG 9 50.514 5.862 -7.454 102 HH12 ARG 9 HH12 ARG 9 52.103 5.174 -7.405 103 HH21 ARG 9 HH21 ARG 9 51.361 2.980 -4.824 104 HH22 ARG 9 HH22 ARG 9 52.583 3.542 -5.915 105 H ARG 10 HN ARG 10 49.921 6.523 -0.905 106 HA ARG 10 HA ARG 10 48.366 4.222 -1.003 107 HB2 ARG 10 HB2 ARG 10 48.527 4.447 1.680 108 HB3 ARG 10 HB1 ARG 10 49.963 4.112 0.686 109 HG2 ARG 10 HG2 ARG 10 50.711 6.364 0.775 110 HG3 ARG 10 HG1 ARG 10 49.133 6.967 1.329 111 HD2 ARG 10 HD2 ARG 10 50.901 6.830 3.144 112 HD3 ARG 10 HD1 ARG 10 49.412 5.919 3.496 113 HE ARG 10 HE ARG 10 51.449 4.286 2.186 114 HH11 ARG 10 HH11 ARG 10 49.494 4.664 4.872 115 HH12 ARG 10 HH12 ARG 10 50.548 3.854 5.981 116 HH21 ARG 10 HH21 ARG 10 53.183 3.646 3.737 117 HH22 ARG 10 HH22 ARG 10 52.638 3.278 5.339 118 H ILE 11 HN ILE 11 47.514 6.331 1.705 119 HA ILE 11 HA ILE 11 44.668 5.730 1.240 120 HB ILE 11 HB ILE 11 46.268 7.119 3.416 121 HG12 ILE 11 HG12 ILE 11 45.788 4.549 3.234 122 HG13 ILE 11 HG11 ILE 11 45.556 5.348 4.800 123 HG21 ILE 11 HG21 ILE 11 43.264 7.333 3.005 124 HG22 ILE 11 HG22 ILE 11 44.440 8.632 3.301 125 HG23 ILE 11 HG23 ILE 11 44.019 7.502 4.607 126 HD11 ILE 11 HD1 ILE 11 43.184 5.314 4.602 127 HD12 ILE 11 HD2 ILE 11 43.698 3.726 3.998 128 HD13 ILE 11 HD3 ILE 11 43.236 5.002 2.855 129 H GLY 12 HN GLY 12 46.920 8.140 0.303 130 HA2 GLY 12 HA1 GLY 12 45.262 10.454 0.301 131 HA3 GLY 12 HA2 GLY 12 46.608 10.148 -0.822 132 H LYS 13 HN LYS 13 45.651 7.811 -2.040 133 HA LYS 13 HA LYS 13 44.070 8.808 -4.145 134 HB2 LYS 13 HB2 LYS 13 45.276 6.690 -4.301 135 HB3 LYS 13 HB1 LYS 13 44.263 5.985 -3.018 136 HG2 LYS 13 HG2 LYS 13 42.300 6.043 -4.408 137 HG3 LYS 13 HG1 LYS 13 43.111 7.061 -5.623 138 HD2 LYS 13 HD2 LYS 13 42.965 4.652 -6.310 139 HD3 LYS 13 HD1 LYS 13 44.642 5.236 -6.190 140 HE2 LYS 13 HE2 LYS 13 45.035 4.070 -4.166 141 HE3 LYS 13 HE1 LYS 13 43.296 3.881 -3.824 142 HZ1 LYS 13 HZ1 LYS 13 44.205 1.814 -4.611 143 HZ2 LYS 13 HZ2 LYS 13 44.836 2.555 -6.003 144 HZ3 LYS 13 HZ3 LYS 13 43.156 2.431 -5.791 145 H GLY 14 HN GLY 14 43.227 8.131 -0.908 146 HA2 GLY 14 HA1 GLY 14 40.315 7.845 -1.525 147 HA3 GLY 14 HA2 GLY 14 41.107 7.523 0.028 148 H VAL 15 HN VAL 15 42.600 9.840 0.441 149 HA VAL 15 HA VAL 15 40.353 11.808 0.849 150 HB VAL 15 HB VAL 15 41.950 12.866 2.509 151 HG11 VAL 15 HG11 VAL 15 40.163 11.365 3.250 152 HG12 VAL 15 HG12 VAL 15 41.630 11.056 4.209 153 HG13 VAL 15 HG13 VAL 15 41.173 9.943 2.898 154 HG21 VAL 15 HG21 VAL 15 44.072 12.000 1.647 155 HG22 VAL 15 HG22 VAL 15 43.530 10.325 1.906 156 HG23 VAL 15 HG23 VAL 15 43.825 11.390 3.299 157 H LYS 16 HN LYS 16 43.719 11.543 -0.345 158 HA LYS 16 HA LYS 16 44.091 14.293 -0.952 159 HB2 LYS 16 HB2 LYS 16 45.815 12.404 -1.035 160 HB3 LYS 16 HB1 LYS 16 45.149 11.990 -2.632 161 HG2 LYS 16 HG2 LYS 16 45.639 14.257 -3.455 162 HG3 LYS 16 HG1 LYS 16 46.249 14.726 -1.850 163 HD2 LYS 16 HD2 LYS 16 48.077 13.146 -2.000 164 HD3 LYS 16 HD1 LYS 16 47.404 12.427 -3.482 165 HE2 LYS 16 HE2 LYS 16 47.704 14.593 -4.662 166 HE3 LYS 16 HE1 LYS 16 48.405 15.293 -3.184 167 HZ1 LYS 16 HZ1 LYS 16 50.181 14.574 -4.572 168 HZ2 LYS 16 HZ2 LYS 16 49.484 13.042 -4.804 169 HZ3 LYS 16 HZ3 LYS 16 50.091 13.480 -3.279 170 H ILE 17 HN ILE 17 42.559 11.664 -2.812 171 HA ILE 17 HA ILE 17 42.174 13.241 -5.196 172 HB ILE 17 HB ILE 17 42.033 10.642 -4.870 173 HG12 ILE 17 HG12 ILE 17 40.079 10.604 -6.706 174 HG13 ILE 17 HG11 ILE 17 40.275 12.367 -6.650 175 HG21 ILE 17 HG21 ILE 17 39.910 9.692 -4.336 176 HG22 ILE 17 HG22 ILE 17 39.095 11.271 -4.411 177 HG23 ILE 17 HG23 ILE 17 40.219 10.913 -3.077 178 HD11 ILE 17 HD1 ILE 17 41.680 11.304 -8.417 179 HD12 ILE 17 HD2 ILE 17 42.530 10.375 -7.161 180 HD13 ILE 17 HD3 ILE 17 42.665 12.148 -7.204 181 H ILE 18 HN ILE 18 41.052 13.830 -2.197 182 HA ILE 18 HA ILE 18 39.316 15.119 -1.368 183 HB ILE 18 HB ILE 18 38.659 15.886 -4.243 184 HG12 ILE 18 HG12 ILE 18 40.824 16.996 -2.395 185 HG13 ILE 18 HG11 ILE 18 41.099 16.093 -3.903 186 HG21 ILE 18 HG21 ILE 18 37.184 16.579 -2.246 187 HG22 ILE 18 HG22 ILE 18 37.800 17.897 -3.268 188 HG23 ILE 18 HG23 ILE 18 38.566 17.555 -1.698 189 HD11 ILE 18 HD1 ILE 18 39.658 17.944 -5.041 190 HD12 ILE 18 HD2 ILE 18 41.314 18.368 -4.548 191 HD13 ILE 18 HD3 ILE 18 39.932 18.875 -3.549 192 H GLY 19 HN GLY 19 38.410 12.903 -0.940 193 HA2 GLY 19 HA1 GLY 19 36.283 11.946 -2.680 194 HA3 GLY 19 HA2 GLY 19 36.675 11.359 -1.053 195 H GLY 20 HN GLY 20 36.323 14.737 -1.148 196 HA2 GLY 20 HA1 GLY 20 34.557 16.152 -0.600 197 HA3 GLY 20 HA2 GLY 20 33.420 14.818 -0.877 198 H ALA 21 HN ALA 21 34.568 12.941 0.940 199 HA ALA 21 HA ALA 21 33.211 13.681 3.331 200 HB1 ALA 21 HB1 ALA 21 34.261 11.718 4.318 201 HB2 ALA 21 HB2 ALA 21 35.470 11.674 3.012 202 HB3 ALA 21 HB3 ALA 21 33.756 11.353 2.651 203 H ALA 22 HN ALA 22 36.697 13.732 2.506 204 HA ALA 22 HA ALA 22 37.494 14.759 5.093 205 HB1 ALA 22 HB1 ALA 22 39.642 15.266 3.904 206 HB2 ALA 22 HB2 ALA 22 38.867 14.755 2.385 207 HB3 ALA 22 HB3 ALA 22 39.090 13.586 3.708 208 H LEU 23 HN LEU 23 36.274 16.171 2.136 209 HA LEU 23 HA LEU 23 37.212 18.875 2.735 210 HB2 LEU 23 HB2 LEU 23 36.609 17.851 0.427 211 HB3 LEU 23 HB1 LEU 23 34.916 18.132 0.890 212 HG LEU 23 HG LEU 23 35.810 20.600 1.461 213 HD11 LEU 23 HD11 LEU 23 37.570 21.302 -0.158 214 HD12 LEU 23 HD12 LEU 23 37.794 19.603 -0.638 215 HD13 LEU 23 HD13 LEU 23 38.193 20.122 1.017 216 HD21 LEU 23 HD21 LEU 23 34.097 20.101 -0.237 217 HD22 LEU 23 HD22 LEU 23 35.355 19.576 -1.381 218 HD23 LEU 23 HD23 LEU 23 35.263 21.282 -0.879 219 H ASP 24 HN ASP 24 35.937 17.746 4.989 220 HA ASP 24 HA ASP 24 34.003 19.846 5.532 221 HB2 ASP 24 HB2 ASP 24 32.538 18.343 4.237 222 HB3 ASP 24 HB1 ASP 24 32.958 16.995 5.321 223 H HIS 25 HN HIS 25 35.671 16.868 6.363 224 HA HIS 25 HA HIS 25 36.376 16.036 8.411 225 HB2 HIS 25 HB2 HIS 25 37.491 18.277 8.458 226 HB3 HIS 25 HB1 HIS 25 36.080 18.922 9.332 227 HD1 HIS 25 HD1 HIS 25 38.553 15.987 9.679 228 HD2 HIS 25 HD2 HIS 25 36.296 18.610 12.068 229 HE1 HIS 25 HE1 HIS 25 39.175 15.526 12.114 230 H LEU 26 HN LEU 26 34.559 14.739 8.804 231 HA LEU 26 HA LEU 26 32.206 15.831 10.145 232 HB2 LEU 26 HB2 LEU 26 33.208 13.034 9.515 233 HB3 LEU 26 HB1 LEU 26 31.750 13.295 10.500 234 HG LEU 26 HG LEU 26 30.700 14.563 8.688 235 HD11 LEU 26 HD11 LEU 26 31.949 14.534 6.408 236 HD12 LEU 26 HD12 LEU 26 33.415 14.206 7.363 237 HD13 LEU 26 HD13 LEU 26 32.496 15.707 7.627 238 HD21 LEU 26 HD21 LEU 26 30.615 12.028 8.730 239 HD22 LEU 26 HD22 LEU 26 31.947 12.024 7.548 240 HD23 LEU 26 HD23 LEU 26 30.375 12.741 7.117 Start of MODEL 52 1 H1 GLY 1 HT1 GLY 1 54.547 -2.767 3.423 2 H2 GLY 1 HT2 GLY 1 54.509 -1.332 4.333 3 H3 GLY 1 HT3 GLY 1 55.844 -1.680 3.341 4 HA2 GLY 1 HA1 GLY 1 54.205 -1.716 1.447 5 HA3 GLY 1 HA2 GLY 1 53.126 -0.889 2.589 6 H ARG 2 HN ARG 2 56.301 -0.161 3.370 7 HA ARG 2 HA ARG 2 55.993 2.586 2.484 8 HB2 ARG 2 HB2 ARG 2 58.526 1.210 3.454 9 HB3 ARG 2 HB1 ARG 2 58.157 2.951 3.489 10 HG2 ARG 2 HG2 ARG 2 56.619 0.796 5.011 11 HG3 ARG 2 HG1 ARG 2 57.837 1.880 5.720 12 HD2 ARG 2 HD2 ARG 2 56.344 3.814 4.751 13 HD3 ARG 2 HD1 ARG 2 55.080 2.561 4.656 14 HE ARG 2 HE ARG 2 55.916 3.871 7.058 15 HH11 ARG 2 HH11 ARG 2 53.380 2.635 7.244 16 HH12 ARG 2 HH12 ARG 2 53.652 1.152 8.098 17 HH21 ARG 2 HH21 ARG 2 57.072 1.142 7.528 18 HH22 ARG 2 HH22 ARG 2 55.742 0.309 8.260 19 H ARG 3 HN ARG 3 55.609 2.056 0.175 20 HA ARG 3 HA ARG 3 57.771 1.011 -1.435 21 HB2 ARG 3 HB2 ARG 3 55.315 1.116 -2.075 22 HB3 ARG 3 HB1 ARG 3 55.531 2.864 -2.332 23 HG2 ARG 3 HG2 ARG 3 57.218 2.464 -4.042 24 HG3 ARG 3 HG1 ARG 3 57.204 0.716 -3.708 25 HD2 ARG 3 HD2 ARG 3 55.853 1.205 -5.706 26 HD3 ARG 3 HD1 ARG 3 54.807 0.627 -4.387 27 HE ARG 3 HE ARG 3 53.725 2.712 -4.498 28 HH11 ARG 3 HH11 ARG 3 55.265 3.129 -7.157 29 HH12 ARG 3 HH12 ARG 3 55.897 4.720 -6.898 30 HH21 ARG 3 HH21 ARG 3 55.273 4.703 -3.488 31 HH22 ARG 3 HH22 ARG 3 55.902 5.612 -4.820 32 H LYS 4 HN LYS 4 57.236 4.011 0.133 33 HA LYS 4 HA LYS 4 59.693 5.107 -1.081 34 HB2 LYS 4 HB2 LYS 4 58.004 5.845 -2.704 35 HB3 LYS 4 HB1 LYS 4 57.016 6.533 -1.393 36 HG2 LYS 4 HG2 LYS 4 58.673 8.198 -0.888 37 HG3 LYS 4 HG1 LYS 4 59.899 7.383 -1.887 38 HD2 LYS 4 HD2 LYS 4 58.622 7.877 -3.921 39 HD3 LYS 4 HD1 LYS 4 57.316 8.602 -2.955 40 HE2 LYS 4 HE2 LYS 4 60.198 9.599 -3.016 41 HE3 LYS 4 HE1 LYS 4 58.850 10.323 -3.925 42 HZ1 LYS 4 HZ1 LYS 4 59.170 11.503 -1.871 43 HZ2 LYS 4 HZ2 LYS 4 59.065 10.069 -0.966 44 HZ3 LYS 4 HZ3 LYS 4 57.700 10.660 -1.789 45 H ARG 5 HN ARG 5 57.113 7.081 0.318 46 HA ARG 5 HA ARG 5 57.973 6.835 3.056 47 HB2 ARG 5 HB2 ARG 5 59.979 8.017 1.971 48 HB3 ARG 5 HB1 ARG 5 58.892 9.395 1.695 49 HG2 ARG 5 HG2 ARG 5 59.805 9.985 3.772 50 HG3 ARG 5 HG1 ARG 5 58.352 9.108 4.299 51 HD2 ARG 5 HD2 ARG 5 59.694 7.055 4.624 52 HD3 ARG 5 HD1 ARG 5 61.145 7.895 4.029 53 HE ARG 5 HE ARG 5 60.033 8.113 6.700 54 HH11 ARG 5 HH11 ARG 5 60.153 10.350 7.582 55 HH12 ARG 5 HH12 ARG 5 61.571 11.241 7.144 56 HH21 ARG 5 HH21 ARG 5 62.517 9.023 4.651 57 HH22 ARG 5 HH22 ARG 5 62.909 10.490 5.484 58 H LYS 6 HN LYS 6 55.562 6.633 2.742 59 HA LYS 6 HA LYS 6 53.432 7.533 2.949 60 HB2 LYS 6 HB2 LYS 6 54.978 9.841 4.199 61 HB3 LYS 6 HB1 LYS 6 53.238 9.523 4.391 62 HG2 LYS 6 HG2 LYS 6 53.682 7.403 5.496 63 HG3 LYS 6 HG1 LYS 6 55.426 7.545 5.161 64 HD2 LYS 6 HD2 LYS 6 55.556 9.559 6.574 65 HD3 LYS 6 HD1 LYS 6 53.805 9.474 6.881 66 HE2 LYS 6 HE2 LYS 6 54.074 7.283 7.968 67 HE3 LYS 6 HE1 LYS 6 55.819 7.303 7.613 68 HZ1 LYS 6 HZ1 LYS 6 54.656 9.581 9.058 69 HZ2 LYS 6 HZ2 LYS 6 56.210 8.902 9.169 70 HZ3 LYS 6 HZ3 LYS 6 54.888 8.131 9.906 71 H TRP 7 HN TRP 7 53.939 7.698 0.456 72 HA TRP 7 HA TRP 7 52.727 10.221 -0.392 73 HB2 TRP 7 HB2 TRP 7 55.131 10.876 -0.226 74 HB3 TRP 7 HB1 TRP 7 55.541 9.570 -1.363 75 HD1 TRP 7 HD1 TRP 7 54.022 13.034 -1.180 76 HE1 TRP 7 HE1 TRP 7 53.576 13.946 -3.575 77 HE3 TRP 7 HE3 TRP 7 54.934 8.763 -3.852 78 HZ2 TRP 7 HZ2 TRP 7 53.619 12.928 -6.269 79 HZ3 TRP 7 HZ3 TRP 7 54.724 8.757 -6.333 80 HH2 TRP 7 HH2 TRP 7 54.068 10.833 -7.542 81 H LEU 8 HN LEU 8 53.605 6.978 -0.691 82 HA LEU 8 HA LEU 8 53.307 6.568 -3.503 83 HB2 LEU 8 HB2 LEU 8 53.000 4.216 -2.952 84 HB3 LEU 8 HB1 LEU 8 54.290 4.904 -1.949 85 HG LEU 8 HG LEU 8 51.395 4.538 -1.023 86 HD11 LEU 8 HD11 LEU 8 52.529 2.381 -1.487 87 HD12 LEU 8 HD12 LEU 8 52.260 2.621 0.257 88 HD13 LEU 8 HD13 LEU 8 53.880 2.874 -0.439 89 HD21 LEU 8 HD21 LEU 8 52.682 4.736 1.270 90 HD22 LEU 8 HD22 LEU 8 52.331 6.221 0.366 91 HD23 LEU 8 HD23 LEU 8 53.960 5.508 0.303 92 H ARG 9 HN ARG 9 51.083 7.952 -1.552 93 HA ARG 9 HA ARG 9 48.808 8.296 -1.752 94 HB2 ARG 9 HB2 ARG 9 48.926 6.825 -4.408 95 HB3 ARG 9 HB1 ARG 9 47.781 8.084 -3.893 96 HG2 ARG 9 HG2 ARG 9 50.773 8.456 -4.367 97 HG3 ARG 9 HG1 ARG 9 49.459 9.053 -5.405 98 HD2 ARG 9 HD2 ARG 9 48.605 10.282 -3.266 99 HD3 ARG 9 HD1 ARG 9 50.234 9.968 -2.618 100 HE ARG 9 HE ARG 9 50.681 11.095 -5.129 101 HH11 ARG 9 HH11 ARG 9 51.374 12.369 -2.454 102 HH12 ARG 9 HH12 ARG 9 50.522 13.872 -2.565 103 HH21 ARG 9 HH21 ARG 9 48.524 12.848 -5.208 104 HH22 ARG 9 HH22 ARG 9 48.908 14.144 -4.124 105 H ARG 10 HN ARG 10 49.695 6.041 -0.302 106 HA ARG 10 HA ARG 10 48.443 3.598 -0.925 107 HB2 ARG 10 HB2 ARG 10 48.147 3.558 1.757 108 HB3 ARG 10 HB1 ARG 10 49.748 3.420 0.996 109 HG2 ARG 10 HG2 ARG 10 50.246 5.733 1.374 110 HG3 ARG 10 HG1 ARG 10 48.563 6.107 1.804 111 HD2 ARG 10 HD2 ARG 10 49.890 5.971 3.848 112 HD3 ARG 10 HD1 ARG 10 48.796 4.570 3.790 113 HE ARG 10 HE ARG 10 51.197 3.732 2.581 114 HH11 ARG 10 HH11 ARG 10 53.176 4.556 4.053 115 HH12 ARG 10 HH12 ARG 10 53.039 3.919 5.657 116 HH21 ARG 10 HH21 ARG 10 49.690 3.084 5.328 117 HH22 ARG 10 HH22 ARG 10 51.066 3.087 6.380 118 H ILE 11 HN ILE 11 46.977 5.293 1.803 119 HA ILE 11 HA ILE 11 44.298 4.779 0.584 120 HB ILE 11 HB ILE 11 43.554 5.627 2.974 121 HG12 ILE 11 HG12 ILE 11 45.255 5.253 4.727 122 HG13 ILE 11 HG11 ILE 11 46.477 4.901 3.487 123 HG21 ILE 11 HG21 ILE 11 44.018 3.340 3.926 124 HG22 ILE 11 HG22 ILE 11 45.063 3.016 2.522 125 HG23 ILE 11 HG23 ILE 11 43.322 3.304 2.289 126 HD11 ILE 11 HD1 ILE 11 46.406 7.306 4.495 127 HD12 ILE 11 HD2 ILE 11 44.965 7.536 3.478 128 HD13 ILE 11 HD3 ILE 11 46.533 7.146 2.730 129 H GLY 12 HN GLY 12 46.555 7.158 0.417 130 HA2 GLY 12 HA1 GLY 12 44.923 9.488 0.994 131 HA3 GLY 12 HA2 GLY 12 46.436 9.453 0.059 132 H LYS 13 HN LYS 13 45.605 7.503 -1.856 133 HA LYS 13 HA LYS 13 44.495 9.123 -3.871 134 HB2 LYS 13 HB2 LYS 13 45.592 6.979 -4.329 135 HB3 LYS 13 HB1 LYS 13 44.290 6.109 -3.482 136 HG2 LYS 13 HG2 LYS 13 42.668 6.730 -5.145 137 HG3 LYS 13 HG1 LYS 13 43.780 7.907 -5.886 138 HD2 LYS 13 HD2 LYS 13 43.625 5.772 -7.190 139 HD3 LYS 13 HD1 LYS 13 45.274 6.100 -6.605 140 HE2 LYS 13 HE2 LYS 13 45.139 4.440 -4.919 141 HE3 LYS 13 HE1 LYS 13 43.359 4.390 -4.975 142 HZ1 LYS 13 HZ1 LYS 13 43.381 2.992 -6.708 143 HZ2 LYS 13 HZ2 LYS 13 44.976 2.650 -6.231 144 HZ3 LYS 13 HZ3 LYS 13 44.678 3.765 -7.479 145 H GLY 14 HN GLY 14 43.019 7.766 -1.098 146 HA2 GLY 14 HA1 GLY 14 40.274 7.876 -2.262 147 HA3 GLY 14 HA2 GLY 14 40.741 7.198 -0.692 148 H VAL 15 HN VAL 15 42.268 9.343 0.349 149 HA VAL 15 HA VAL 15 40.064 11.381 0.730 150 HB VAL 15 HB VAL 15 41.199 11.853 2.926 151 HG11 VAL 15 HG11 VAL 15 39.228 10.347 2.732 152 HG12 VAL 15 HG12 VAL 15 40.324 9.832 4.036 153 HG13 VAL 15 HG13 VAL 15 40.321 8.965 2.480 154 HG21 VAL 15 HG21 VAL 15 43.441 11.030 2.490 155 HG22 VAL 15 HG22 VAL 15 42.824 9.410 2.089 156 HG23 VAL 15 HG23 VAL 15 42.733 10.008 3.761 157 H LYS 16 HN LYS 16 43.598 10.938 0.384 158 HA LYS 16 HA LYS 16 44.292 13.696 0.529 159 HB2 LYS 16 HB2 LYS 16 45.853 11.696 0.547 160 HB3 LYS 16 HB1 LYS 16 45.649 11.612 -1.219 161 HG2 LYS 16 HG2 LYS 16 46.388 14.030 -1.344 162 HG3 LYS 16 HG1 LYS 16 46.758 13.956 0.392 163 HD2 LYS 16 HD2 LYS 16 47.938 11.993 -1.619 164 HD3 LYS 16 HD1 LYS 16 48.723 13.535 -1.221 165 HE2 LYS 16 HE2 LYS 16 48.608 12.815 1.240 166 HE3 LYS 16 HE1 LYS 16 48.141 11.204 0.649 167 HZ1 LYS 16 HZ1 LYS 16 50.611 12.672 -0.124 168 HZ2 LYS 16 HZ2 LYS 16 50.169 11.114 -0.638 169 HZ3 LYS 16 HZ3 LYS 16 50.535 11.401 0.996 170 H ILE 17 HN ILE 17 42.987 11.723 -2.107 171 HA ILE 17 HA ILE 17 43.526 13.685 -4.172 172 HB ILE 17 HB ILE 17 42.960 11.129 -4.408 173 HG12 ILE 17 HG12 ILE 17 41.600 11.751 -6.648 174 HG13 ILE 17 HG11 ILE 17 42.050 13.409 -6.197 175 HG21 ILE 17 HG21 ILE 17 40.664 10.511 -4.630 176 HG22 ILE 17 HG22 ILE 17 40.120 12.204 -4.594 177 HG23 ILE 17 HG23 ILE 17 40.764 11.444 -3.119 178 HD11 ILE 17 HD1 ILE 17 43.783 12.582 -7.650 179 HD12 ILE 17 HD2 ILE 17 43.905 11.057 -6.742 180 HD13 ILE 17 HD3 ILE 17 44.463 12.577 -6.007 181 H ILE 18 HN ILE 18 41.814 14.130 -1.496 182 HA ILE 18 HA ILE 18 40.098 15.567 -0.898 183 HB ILE 18 HB ILE 18 40.253 16.710 -3.720 184 HG12 ILE 18 HG12 ILE 18 41.997 17.328 -1.289 185 HG13 ILE 18 HG11 ILE 18 42.540 16.517 -2.776 186 HG21 ILE 18 HG21 ILE 18 39.723 18.108 -1.066 187 HG22 ILE 18 HG22 ILE 18 38.419 17.407 -2.051 188 HG23 ILE 18 HG23 ILE 18 39.421 18.718 -2.710 189 HD11 ILE 18 HD1 ILE 18 41.666 18.636 -4.015 190 HD12 ILE 18 HD2 ILE 18 43.179 18.782 -3.091 191 HD13 ILE 18 HD3 ILE 18 41.659 19.400 -2.406 192 H GLY 19 HN GLY 19 38.478 14.046 -0.651 193 HA2 GLY 19 HA1 GLY 19 36.274 14.289 -2.545 194 HA3 GLY 19 HA2 GLY 19 37.040 12.689 -2.591 195 H GLY 20 HN GLY 20 37.574 13.745 0.458 196 HA2 GLY 20 HA1 GLY 20 34.982 13.435 1.672 197 HA3 GLY 20 HA2 GLY 20 35.867 11.896 1.705 198 H ALA 21 HN ALA 21 35.227 12.857 4.091 199 HA ALA 21 HA ALA 21 36.099 13.593 6.112 200 HB1 ALA 21 HB1 ALA 21 38.779 13.026 4.799 201 HB2 ALA 21 HB2 ALA 21 37.726 11.782 5.516 202 HB3 ALA 21 HB3 ALA 21 38.420 13.063 6.541 203 H ALA 22 HN ALA 22 36.142 15.370 3.480 204 HA ALA 22 HA ALA 22 36.891 17.794 4.868 205 HB1 ALA 22 HB1 ALA 22 38.797 18.443 3.472 206 HB2 ALA 22 HB2 ALA 22 38.738 16.871 2.638 207 HB3 ALA 22 HB3 ALA 22 39.159 16.948 4.366 208 H LEU 23 HN LEU 23 35.263 16.050 2.611 209 HA LEU 23 HA LEU 23 34.163 18.502 1.374 210 HB2 LEU 23 HB2 LEU 23 36.159 17.699 -0.054 211 HB3 LEU 23 HB1 LEU 23 35.169 16.272 -0.428 212 HG LEU 23 HG LEU 23 33.307 18.089 -1.048 213 HD11 LEU 23 HD11 LEU 23 34.548 20.075 -0.301 214 HD12 LEU 23 HD12 LEU 23 34.357 20.125 -2.066 215 HD13 LEU 23 HD13 LEU 23 35.916 19.649 -1.355 216 HD21 LEU 23 HD21 LEU 23 34.242 16.529 -2.676 217 HD22 LEU 23 HD22 LEU 23 35.746 17.477 -2.775 218 HD23 LEU 23 HD23 LEU 23 34.221 18.159 -3.390 219 H ASP 24 HN ASP 24 32.938 16.927 3.210 220 HA ASP 24 HA ASP 24 30.588 16.070 1.769 221 HB2 ASP 24 HB2 ASP 24 32.122 14.122 1.309 222 HB3 ASP 24 HB1 ASP 24 32.189 13.830 3.064 223 H HIS 25 HN HIS 25 32.011 17.397 4.290 224 HA HIS 25 HA HIS 25 30.831 16.171 6.591 225 HB2 HIS 25 HB2 HIS 25 31.276 18.307 7.711 226 HB3 HIS 25 HB1 HIS 25 32.656 17.851 6.684 227 HD1 HIS 25 HD1 HIS 25 30.324 20.591 7.348 228 HD2 HIS 25 HD2 HIS 25 32.439 19.214 3.986 229 HE1 HIS 25 HE1 HIS 25 30.410 22.511 5.665 230 H LEU 26 HN LEU 26 28.911 16.414 7.633 231 HA LEU 26 HA LEU 26 26.672 17.388 6.023 232 HB2 LEU 26 HB2 LEU 26 26.954 16.196 8.799 233 HB3 LEU 26 HB1 LEU 26 25.396 16.805 8.212 234 HG LEU 26 HG LEU 26 25.846 14.293 7.904 235 HD11 LEU 26 HD11 LEU 26 24.150 15.734 6.579 236 HD12 LEU 26 HD12 LEU 26 24.627 14.176 5.875 237 HD13 LEU 26 HD13 LEU 26 25.326 15.680 5.247 238 HD21 LEU 26 HD21 LEU 26 27.284 13.571 6.108 239 HD22 LEU 26 HD22 LEU 26 28.244 14.645 7.150 240 HD23 LEU 26 HD23 LEU 26 27.604 15.244 5.601 Start of MODEL 53 1 H1 GLY 1 HT1 GLY 1 57.155 -1.903 -0.837 2 H2 GLY 1 HT2 GLY 1 56.607 -2.159 0.751 3 H3 GLY 1 HT3 GLY 1 57.496 -3.365 -0.052 4 HA2 GLY 1 HA1 GLY 1 58.704 -2.033 1.651 5 HA3 GLY 1 HA2 GLY 1 59.455 -2.203 0.053 6 H ARG 2 HN ARG 2 56.623 -0.192 0.615 7 HA ARG 2 HA ARG 2 56.334 2.087 0.273 8 HB2 ARG 2 HB2 ARG 2 58.907 1.981 1.884 9 HB3 ARG 2 HB1 ARG 2 58.179 3.531 1.400 10 HG2 ARG 2 HG2 ARG 2 57.457 2.795 3.683 11 HG3 ARG 2 HG1 ARG 2 56.094 2.963 2.553 12 HD2 ARG 2 HD2 ARG 2 57.469 0.279 2.927 13 HD3 ARG 2 HD1 ARG 2 56.205 0.823 4.053 14 HE ARG 2 HE ARG 2 55.190 1.168 1.426 15 HH11 ARG 2 HH11 ARG 2 55.501 -1.027 3.995 16 HH12 ARG 2 HH12 ARG 2 54.790 -2.361 3.149 17 HH21 ARG 2 HH21 ARG 2 54.595 -0.682 0.122 18 HH22 ARG 2 HH22 ARG 2 54.279 -2.166 0.955 19 H ARG 3 HN ARG 3 56.377 2.356 -1.914 20 HA ARG 3 HA ARG 3 58.723 2.211 -3.536 21 HB2 ARG 3 HB2 ARG 3 56.114 3.727 -3.938 22 HB3 ARG 3 HB1 ARG 3 57.351 3.495 -5.198 23 HG2 ARG 3 HG2 ARG 3 57.091 1.090 -5.116 24 HG3 ARG 3 HG1 ARG 3 56.043 1.199 -3.681 25 HD2 ARG 3 HD2 ARG 3 54.387 2.501 -5.032 26 HD3 ARG 3 HD1 ARG 3 55.414 2.272 -6.467 27 HE ARG 3 HE ARG 3 53.701 0.238 -5.219 28 HH11 ARG 3 HH11 ARG 3 56.494 0.911 -7.127 29 HH12 ARG 3 HH12 ARG 3 56.446 -0.599 -7.972 30 HH21 ARG 3 HH21 ARG 3 53.607 -1.728 -6.332 31 HH22 ARG 3 HH22 ARG 3 54.812 -2.094 -7.521 32 H LYS 4 HN LYS 4 57.473 4.703 -1.441 33 HA LYS 4 HA LYS 4 59.906 6.263 -1.743 34 HB2 LYS 4 HB2 LYS 4 58.675 8.360 -2.528 35 HB3 LYS 4 HB1 LYS 4 58.936 7.104 -3.762 36 HG2 LYS 4 HG2 LYS 4 56.672 6.339 -3.616 37 HG3 LYS 4 HG1 LYS 4 56.379 7.254 -2.118 38 HD2 LYS 4 HD2 LYS 4 55.347 8.400 -4.042 39 HD3 LYS 4 HD1 LYS 4 56.668 9.383 -3.367 40 HE2 LYS 4 HE2 LYS 4 57.199 7.458 -5.657 41 HE3 LYS 4 HE1 LYS 4 56.540 9.082 -5.966 42 HZ1 LYS 4 HZ1 LYS 4 59.193 8.297 -5.155 43 HZ2 LYS 4 HZ2 LYS 4 58.554 9.568 -4.225 44 HZ3 LYS 4 HZ3 LYS 4 58.664 9.719 -5.914 45 H ARG 5 HN ARG 5 58.900 5.098 0.466 46 HA ARG 5 HA ARG 5 58.431 5.610 2.669 47 HB2 ARG 5 HB2 ARG 5 59.677 7.855 1.805 48 HB3 ARG 5 HB1 ARG 5 58.083 8.563 2.142 49 HG2 ARG 5 HG2 ARG 5 58.243 7.379 4.444 50 HG3 ARG 5 HG1 ARG 5 59.960 7.122 4.062 51 HD2 ARG 5 HD2 ARG 5 58.479 9.747 4.429 52 HD3 ARG 5 HD1 ARG 5 59.933 9.165 5.275 53 HE ARG 5 HE ARG 5 60.588 9.336 2.524 54 HH11 ARG 5 HH11 ARG 5 58.702 11.760 3.308 55 HH12 ARG 5 HH12 ARG 5 59.909 12.985 3.519 56 HH21 ARG 5 HH21 ARG 5 62.553 10.743 3.580 57 HH22 ARG 5 HH22 ARG 5 62.088 12.409 3.672 58 H LYS 6 HN LYS 6 56.698 7.820 3.598 59 HA LYS 6 HA LYS 6 54.111 6.543 2.886 60 HB2 LYS 6 HB2 LYS 6 54.539 8.849 4.815 61 HB3 LYS 6 HB1 LYS 6 53.220 7.657 4.785 62 HG2 LYS 6 HG2 LYS 6 56.141 7.152 5.495 63 HG3 LYS 6 HG1 LYS 6 54.738 7.057 6.582 64 HD2 LYS 6 HD2 LYS 6 53.830 5.238 4.982 65 HD3 LYS 6 HD1 LYS 6 55.466 5.205 4.280 66 HE2 LYS 6 HE2 LYS 6 56.334 4.866 6.675 67 HE3 LYS 6 HE1 LYS 6 54.643 4.560 7.136 68 HZ1 LYS 6 HZ1 LYS 6 55.508 2.470 6.637 69 HZ2 LYS 6 HZ2 LYS 6 56.359 3.022 5.273 70 HZ3 LYS 6 HZ3 LYS 6 54.665 2.893 5.226 71 H TRP 7 HN TRP 7 54.546 7.462 0.609 72 HA TRP 7 HA TRP 7 52.808 9.831 0.342 73 HB2 TRP 7 HB2 TRP 7 55.741 9.867 -0.476 74 HB3 TRP 7 HB1 TRP 7 54.531 10.949 -1.204 75 HD1 TRP 7 HD1 TRP 7 56.366 10.246 2.073 76 HE1 TRP 7 HE1 TRP 7 56.052 12.251 3.701 77 HE3 TRP 7 HE3 TRP 7 52.920 12.924 -0.603 78 HZ2 TRP 7 HZ2 TRP 7 54.503 14.677 3.794 79 HZ3 TRP 7 HZ3 TRP 7 52.039 15.081 0.273 80 HH2 TRP 7 HH2 TRP 7 52.827 15.960 2.467 81 H LEU 8 HN LEU 8 53.635 6.821 -0.458 82 HA LEU 8 HA LEU 8 53.518 6.950 -3.364 83 HB2 LEU 8 HB2 LEU 8 53.560 4.569 -3.317 84 HB3 LEU 8 HB1 LEU 8 54.613 5.108 -1.995 85 HG LEU 8 HG LEU 8 51.724 4.139 -1.702 86 HD11 LEU 8 HD11 LEU 8 52.730 2.207 -0.606 87 HD12 LEU 8 HD12 LEU 8 54.357 2.905 -0.795 88 HD13 LEU 8 HD13 LEU 8 53.438 2.389 -2.229 89 HD21 LEU 8 HD21 LEU 8 52.393 4.193 0.783 90 HD22 LEU 8 HD22 LEU 8 52.116 5.772 0.022 91 HD23 LEU 8 HD23 LEU 8 53.779 5.195 0.290 92 H ARG 9 HN ARG 9 51.293 8.120 -1.555 93 HA ARG 9 HA ARG 9 49.017 8.408 -1.760 94 HB2 ARG 9 HB2 ARG 9 49.151 6.757 -4.306 95 HB3 ARG 9 HB1 ARG 9 47.951 7.988 -3.857 96 HG2 ARG 9 HG2 ARG 9 50.920 8.510 -4.331 97 HG3 ARG 9 HG1 ARG 9 49.610 8.887 -5.473 98 HD2 ARG 9 HD2 ARG 9 48.577 10.248 -3.475 99 HD3 ARG 9 HD1 ARG 9 50.220 10.167 -2.792 100 HE ARG 9 HE ARG 9 50.916 11.701 -4.452 101 HH11 ARG 9 HH11 ARG 9 47.614 11.571 -4.538 102 HH12 ARG 9 HH12 ARG 9 47.438 12.023 -6.202 103 HH21 ARG 9 HH21 ARG 9 50.819 11.725 -6.916 104 HH22 ARG 9 HH22 ARG 9 49.252 12.109 -7.548 105 H ARG 10 HN ARG 10 49.909 6.324 -0.110 106 HA ARG 10 HA ARG 10 48.685 3.809 -0.552 107 HB2 ARG 10 HB2 ARG 10 48.399 3.960 2.112 108 HB3 ARG 10 HB1 ARG 10 50.011 3.824 1.374 109 HG2 ARG 10 HG2 ARG 10 50.500 6.118 1.683 110 HG3 ARG 10 HG1 ARG 10 48.794 6.566 1.877 111 HD2 ARG 10 HD2 ARG 10 50.053 6.583 4.043 112 HD3 ARG 10 HD1 ARG 10 48.703 5.421 4.046 113 HE ARG 10 HE ARG 10 51.113 4.100 3.193 114 HH11 ARG 10 HH11 ARG 10 50.685 2.219 4.749 115 HH12 ARG 10 HH12 ARG 10 50.976 2.619 6.409 116 HH21 ARG 10 HH21 ARG 10 51.008 6.042 5.854 117 HH22 ARG 10 HH22 ARG 10 51.158 4.783 7.034 118 H ILE 11 HN ILE 11 47.259 5.753 2.017 119 HA ILE 11 HA ILE 11 44.562 5.037 1.065 120 HB ILE 11 HB ILE 11 45.128 5.017 3.497 121 HG12 ILE 11 HG12 ILE 11 43.119 7.228 2.853 122 HG13 ILE 11 HG11 ILE 11 42.787 5.503 2.588 123 HG21 ILE 11 HG21 ILE 11 45.278 8.053 3.261 124 HG22 ILE 11 HG22 ILE 11 46.715 7.005 3.292 125 HG23 ILE 11 HG23 ILE 11 45.619 7.052 4.691 126 HD11 ILE 11 HD1 ILE 11 41.877 6.017 4.737 127 HD12 ILE 11 HD2 ILE 11 43.325 6.928 5.219 128 HD13 ILE 11 HD3 ILE 11 43.398 5.156 5.065 129 H GLY 12 HN GLY 12 46.843 7.600 0.667 130 HA2 GLY 12 HA1 GLY 12 45.144 9.858 0.478 131 HA3 GLY 12 HA2 GLY 12 46.654 9.628 -0.433 132 H LYS 13 HN LYS 13 45.901 7.331 -1.906 133 HA LYS 13 HA LYS 13 44.733 8.447 -4.197 134 HB2 LYS 13 HB2 LYS 13 45.876 6.277 -4.190 135 HB3 LYS 13 HB1 LYS 13 44.580 5.578 -3.190 136 HG2 LYS 13 HG2 LYS 13 42.965 5.801 -4.951 137 HG3 LYS 13 HG1 LYS 13 44.048 6.838 -5.909 138 HD2 LYS 13 HD2 LYS 13 43.957 4.478 -6.758 139 HD3 LYS 13 HD1 LYS 13 45.593 4.972 -6.263 140 HE2 LYS 13 HE2 LYS 13 45.505 3.694 -4.265 141 HE3 LYS 13 HE1 LYS 13 43.731 3.551 -4.322 142 HZ1 LYS 13 HZ1 LYS 13 45.637 1.805 -5.384 143 HZ2 LYS 13 HZ2 LYS 13 44.817 2.504 -6.698 144 HZ3 LYS 13 HZ3 LYS 13 43.948 1.695 -5.483 145 H GLY 14 HN GLY 14 43.274 7.682 -1.199 146 HA2 GLY 14 HA1 GLY 14 40.525 7.554 -2.375 147 HA3 GLY 14 HA2 GLY 14 40.991 7.121 -0.720 148 H VAL 15 HN VAL 15 42.486 9.387 0.038 149 HA VAL 15 HA VAL 15 40.255 11.414 0.148 150 HB VAL 15 HB VAL 15 41.545 12.310 2.139 151 HG11 VAL 15 HG11 VAL 15 39.586 10.818 2.383 152 HG12 VAL 15 HG12 VAL 15 40.797 10.492 3.646 153 HG13 VAL 15 HG13 VAL 15 40.649 9.397 2.252 154 HG21 VAL 15 HG21 VAL 15 43.115 9.731 1.693 155 HG22 VAL 15 HG22 VAL 15 43.177 10.704 3.179 156 HG23 VAL 15 HG23 VAL 15 43.759 11.389 1.644 157 H LYS 16 HN LYS 16 43.773 11.051 -0.404 158 HA LYS 16 HA LYS 16 44.326 13.820 -0.780 159 HB2 LYS 16 HB2 LYS 16 45.992 11.896 -0.563 160 HB3 LYS 16 HB1 LYS 16 45.662 11.533 -2.271 161 HG2 LYS 16 HG2 LYS 16 47.508 12.956 -2.502 162 HG3 LYS 16 HG1 LYS 16 46.188 14.142 -2.601 163 HD2 LYS 16 HD2 LYS 16 46.442 14.581 -0.145 164 HD3 LYS 16 HD1 LYS 16 47.805 13.439 -0.106 165 HE2 LYS 16 HE2 LYS 16 48.596 15.782 -0.316 166 HE3 LYS 16 HE1 LYS 16 49.024 14.822 -1.752 167 HZ1 LYS 16 HZ1 LYS 16 48.009 17.091 -2.153 168 HZ2 LYS 16 HZ2 LYS 16 46.539 16.438 -1.610 169 HZ3 LYS 16 HZ3 LYS 16 47.301 15.794 -2.985 170 H ILE 17 HN ILE 17 43.187 11.307 -3.043 171 HA ILE 17 HA ILE 17 43.425 12.766 -5.447 172 HB ILE 17 HB ILE 17 42.710 10.364 -5.284 173 HG12 ILE 17 HG12 ILE 17 40.757 12.162 -6.797 174 HG13 ILE 17 HG11 ILE 17 42.391 11.738 -7.358 175 HG21 ILE 17 HG21 ILE 17 39.942 11.473 -4.674 176 HG22 ILE 17 HG22 ILE 17 41.034 10.870 -3.403 177 HG23 ILE 17 HG23 ILE 17 40.467 9.772 -4.684 178 HD11 ILE 17 HD1 ILE 17 39.986 9.918 -6.994 179 HD12 ILE 17 HD2 ILE 17 41.639 9.265 -7.086 180 HD13 ILE 17 HD3 ILE 17 40.967 10.182 -8.454 181 H ILE 18 HN ILE 18 40.913 12.879 -2.926 182 HA ILE 18 HA ILE 18 39.226 14.728 -4.439 183 HB ILE 18 HB ILE 18 39.179 14.286 -1.423 184 HG12 ILE 18 HG12 ILE 18 37.937 12.595 -3.642 185 HG13 ILE 18 HG11 ILE 18 39.203 12.080 -2.504 186 HG21 ILE 18 HG21 ILE 18 36.888 14.955 -1.591 187 HG22 ILE 18 HG22 ILE 18 36.887 14.791 -3.363 188 HG23 ILE 18 HG23 ILE 18 37.789 16.117 -2.590 189 HD11 ILE 18 HD1 ILE 18 37.200 11.216 -1.569 190 HD12 ILE 18 HD2 ILE 18 36.287 12.697 -1.932 191 HD13 ILE 18 HD3 ILE 18 37.505 12.697 -0.632 192 H GLY 19 HN GLY 19 40.831 15.156 -1.261 193 HA2 GLY 19 HA1 GLY 19 42.309 17.484 -2.017 194 HA3 GLY 19 HA2 GLY 19 40.760 17.985 -1.309 195 H GLY 20 HN GLY 20 43.043 15.310 -0.599 196 HA2 GLY 20 HA1 GLY 20 42.712 15.124 2.119 197 HA3 GLY 20 HA2 GLY 20 44.285 14.905 1.330 198 H ALA 21 HN ALA 21 44.105 17.826 0.424 199 HA ALA 21 HA ALA 21 45.742 18.929 2.453 200 HB1 ALA 21 HB1 ALA 21 45.174 21.132 1.378 201 HB2 ALA 21 HB2 ALA 21 43.981 20.271 0.377 202 HB3 ALA 21 HB3 ALA 21 45.711 19.879 0.237 203 H ALA 22 HN ALA 22 42.415 20.049 1.685 204 HA ALA 22 HA ALA 22 42.140 21.155 4.397 205 HB1 ALA 22 HB1 ALA 22 39.831 21.724 3.570 206 HB2 ALA 22 HB2 ALA 22 40.253 20.938 2.029 207 HB3 ALA 22 HB3 ALA 22 41.153 22.375 2.573 208 H LEU 23 HN LEU 23 40.769 18.459 2.493 209 HA LEU 23 HA LEU 23 39.046 17.587 4.672 210 HB2 LEU 23 HB2 LEU 23 38.913 17.184 2.043 211 HB3 LEU 23 HB1 LEU 23 39.915 15.771 2.407 212 HG LEU 23 HG LEU 23 37.624 15.042 2.435 213 HD11 LEU 23 HD11 LEU 23 38.410 15.426 5.355 214 HD12 LEU 23 HD12 LEU 23 39.132 14.214 4.272 215 HD13 LEU 23 HD13 LEU 23 37.399 14.138 4.663 216 HD21 LEU 23 HD21 LEU 23 36.792 17.522 2.934 217 HD22 LEU 23 HD22 LEU 23 36.822 16.987 4.629 218 HD23 LEU 23 HD23 LEU 23 35.810 16.135 3.446 219 H ASP 24 HN ASP 24 40.736 17.662 6.334 220 HA ASP 24 HA ASP 24 41.685 15.011 6.941 221 HB2 ASP 24 HB2 ASP 24 44.126 15.481 6.882 222 HB3 ASP 24 HB1 ASP 24 43.405 15.510 5.255 223 H HIS 25 HN HIS 25 41.715 18.490 7.403 224 HA HIS 25 HA HIS 25 42.946 18.636 9.955 225 HB2 HIS 25 HB2 HIS 25 42.313 20.596 8.555 226 HB3 HIS 25 HB1 HIS 25 40.601 20.281 8.926 227 HD1 HIS 25 HD1 HIS 25 43.901 20.892 10.810 228 HD2 HIS 25 HD2 HIS 25 39.776 21.614 11.195 229 HE1 HIS 25 HE1 HIS 25 43.557 22.220 12.965 230 H LEU 26 HN LEU 26 42.456 17.195 11.517 231 HA LEU 26 HA LEU 26 39.833 16.134 11.979 232 HB2 LEU 26 HB2 LEU 26 42.025 16.444 14.062 233 HB3 LEU 26 HB1 LEU 26 40.735 15.222 14.009 234 HG LEU 26 HG LEU 26 42.965 15.507 11.943 235 HD11 LEU 26 HD11 LEU 26 43.706 14.736 14.220 236 HD12 LEU 26 HD12 LEU 26 43.909 13.499 12.955 237 HD13 LEU 26 HD13 LEU 26 42.548 13.391 14.097 238 HD21 LEU 26 HD21 LEU 26 40.621 13.591 12.285 239 HD22 LEU 26 HD22 LEU 26 42.074 13.129 11.365 240 HD23 LEU 26 HD23 LEU 26 41.095 14.516 10.840 Start of MODEL 54 1 H1 GLY 1 HT1 GLY 1 57.190 0.165 -5.659 2 H2 GLY 1 HT2 GLY 1 56.754 1.215 -4.396 3 H3 GLY 1 HT3 GLY 1 56.308 -0.424 -4.337 4 HA2 GLY 1 HA1 GLY 1 58.147 -0.975 -3.358 5 HA3 GLY 1 HA2 GLY 1 59.069 -0.237 -4.682 6 H ARG 2 HN ARG 2 57.031 0.796 -1.910 7 HA ARG 2 HA ARG 2 57.368 2.461 -0.341 8 HB2 ARG 2 HB2 ARG 2 60.330 2.110 -0.945 9 HB3 ARG 2 HB1 ARG 2 59.599 2.759 0.541 10 HG2 ARG 2 HG2 ARG 2 58.430 0.540 0.849 11 HG3 ARG 2 HG1 ARG 2 59.372 -0.086 -0.526 12 HD2 ARG 2 HD2 ARG 2 61.473 0.640 0.720 13 HD3 ARG 2 HD1 ARG 2 60.435 0.952 2.131 14 HE ARG 2 HE ARG 2 61.309 -1.651 1.233 15 HH11 ARG 2 HH11 ARG 2 60.868 -1.982 3.852 16 HH12 ARG 2 HH12 ARG 2 59.213 -2.437 4.081 17 HH21 ARG 2 HH21 ARG 2 58.203 -1.346 0.949 18 HH22 ARG 2 HH22 ARG 2 57.704 -2.077 2.438 19 H ARG 3 HN ARG 3 60.221 3.223 -2.370 20 HA ARG 3 HA ARG 3 60.801 5.202 -3.423 21 HB2 ARG 3 HB2 ARG 3 57.809 5.220 -3.987 22 HB3 ARG 3 HB1 ARG 3 58.994 6.289 -4.773 23 HG2 ARG 3 HG2 ARG 3 60.223 4.316 -5.622 24 HG3 ARG 3 HG1 ARG 3 59.040 3.241 -4.837 25 HD2 ARG 3 HD2 ARG 3 57.230 4.395 -6.191 26 HD3 ARG 3 HD1 ARG 3 58.522 5.232 -7.084 27 HE ARG 3 HE ARG 3 59.102 2.454 -7.164 28 HH11 ARG 3 HH11 ARG 3 56.007 2.689 -7.445 29 HH12 ARG 3 HH12 ARG 3 55.860 2.659 -9.171 30 HH21 ARG 3 HH21 ARG 3 59.225 3.277 -9.733 31 HH22 ARG 3 HH22 ARG 3 57.682 2.990 -10.465 32 H LYS 4 HN LYS 4 57.578 6.460 -2.659 33 HA LYS 4 HA LYS 4 58.785 8.769 -1.322 34 HB2 LYS 4 HB2 LYS 4 55.940 7.873 -1.893 35 HB3 LYS 4 HB1 LYS 4 56.274 9.297 -0.881 36 HG2 LYS 4 HG2 LYS 4 55.921 9.973 -3.221 37 HG3 LYS 4 HG1 LYS 4 57.602 10.292 -2.733 38 HD2 LYS 4 HD2 LYS 4 58.438 8.433 -3.951 39 HD3 LYS 4 HD1 LYS 4 56.827 7.686 -4.099 40 HE2 LYS 4 HE2 LYS 4 56.103 9.508 -5.592 41 HE3 LYS 4 HE1 LYS 4 57.683 10.307 -5.409 42 HZ1 LYS 4 HZ1 LYS 4 58.746 8.402 -6.406 43 HZ2 LYS 4 HZ2 LYS 4 57.527 8.968 -7.444 44 HZ3 LYS 4 HZ3 LYS 4 57.271 7.571 -6.511 45 H ARG 5 HN ARG 5 58.883 5.860 -0.226 46 HA ARG 5 HA ARG 5 58.857 4.872 1.867 47 HB2 ARG 5 HB2 ARG 5 58.686 7.726 2.912 48 HB3 ARG 5 HB1 ARG 5 59.243 6.291 3.804 49 HG2 ARG 5 HG2 ARG 5 61.102 6.002 2.199 50 HG3 ARG 5 HG1 ARG 5 60.544 7.427 1.289 51 HD2 ARG 5 HD2 ARG 5 61.454 7.415 4.201 52 HD3 ARG 5 HD1 ARG 5 62.387 8.039 2.820 53 HE ARG 5 HE ARG 5 59.816 9.323 2.903 54 HH11 ARG 5 HH11 ARG 5 62.568 10.611 2.604 55 HH12 ARG 5 HH12 ARG 5 62.639 11.581 4.037 56 HH21 ARG 5 HH21 ARG 5 60.015 9.934 5.597 57 HH22 ARG 5 HH22 ARG 5 61.193 11.197 5.732 58 H LYS 6 HN LYS 6 56.871 7.725 2.736 59 HA LYS 6 HA LYS 6 54.434 5.999 2.833 60 HB2 LYS 6 HB2 LYS 6 55.349 7.628 5.233 61 HB3 LYS 6 HB1 LYS 6 53.949 6.534 5.129 62 HG2 LYS 6 HG2 LYS 6 55.572 4.648 4.630 63 HG3 LYS 6 HG1 LYS 6 56.897 5.777 5.002 64 HD2 LYS 6 HD2 LYS 6 56.071 6.093 7.269 65 HD3 LYS 6 HD1 LYS 6 54.616 5.130 6.918 66 HE2 LYS 6 HE2 LYS 6 57.466 4.061 6.749 67 HE3 LYS 6 HE1 LYS 6 56.388 3.836 8.149 68 HZ1 LYS 6 HZ1 LYS 6 55.814 1.988 7.023 69 HZ2 LYS 6 HZ2 LYS 6 56.313 2.594 5.516 70 HZ3 LYS 6 HZ3 LYS 6 54.805 3.042 6.158 71 H TRP 7 HN TRP 7 54.411 7.621 0.900 72 HA TRP 7 HA TRP 7 52.460 9.632 1.588 73 HB2 TRP 7 HB2 TRP 7 54.656 10.725 2.342 74 HB3 TRP 7 HB1 TRP 7 55.115 10.766 0.624 75 HD1 TRP 7 HD1 TRP 7 54.076 12.610 -0.853 76 HE1 TRP 7 HE1 TRP 7 52.418 14.577 -0.467 77 HE3 TRP 7 HE3 TRP 7 52.454 11.387 3.846 78 HZ2 TRP 7 HZ2 TRP 7 50.641 15.468 1.617 79 HZ3 TRP 7 HZ3 TRP 7 50.778 12.808 5.014 80 HH2 TRP 7 HH2 TRP 7 49.870 14.847 3.905 81 H LEU 8 HN LEU 8 53.276 7.365 -0.291 82 HA LEU 8 HA LEU 8 53.432 8.597 -2.932 83 HB2 LEU 8 HB2 LEU 8 52.725 6.105 -3.562 84 HB3 LEU 8 HB1 LEU 8 54.356 6.452 -2.952 85 HG LEU 8 HG LEU 8 52.230 5.870 -0.877 86 HD11 LEU 8 HD11 LEU 8 53.432 3.756 -2.714 87 HD12 LEU 8 HD12 LEU 8 51.707 4.119 -2.467 88 HD13 LEU 8 HD13 LEU 8 52.661 3.397 -1.150 89 HD21 LEU 8 HD21 LEU 8 54.066 4.975 0.352 90 HD22 LEU 8 HD22 LEU 8 54.749 6.390 -0.483 91 HD23 LEU 8 HD23 LEU 8 55.057 4.755 -1.111 92 H ARG 9 HN ARG 9 51.012 6.130 -2.204 93 HA ARG 9 HA ARG 9 48.774 8.043 -2.473 94 HB2 ARG 9 HB2 ARG 9 49.768 7.216 -4.838 95 HB3 ARG 9 HB1 ARG 9 48.787 5.781 -4.485 96 HG2 ARG 9 HG2 ARG 9 47.209 7.097 -5.615 97 HG3 ARG 9 HG1 ARG 9 46.894 7.602 -3.940 98 HD2 ARG 9 HD2 ARG 9 48.438 9.545 -4.265 99 HD3 ARG 9 HD1 ARG 9 48.663 9.052 -5.961 100 HE ARG 9 HE ARG 9 46.357 10.456 -4.894 101 HH11 ARG 9 HH11 ARG 9 47.279 10.704 -7.713 102 HH12 ARG 9 HH12 ARG 9 46.052 9.846 -8.584 103 HH21 ARG 9 HH21 ARG 9 44.824 8.218 -5.780 104 HH22 ARG 9 HH22 ARG 9 44.664 8.439 -7.491 105 H ARG 10 HN ARG 10 50.068 5.810 -0.753 106 HA ARG 10 HA ARG 10 48.531 3.502 -0.615 107 HB2 ARG 10 HB2 ARG 10 49.007 3.511 1.829 108 HB3 ARG 10 HB1 ARG 10 50.434 3.905 0.843 109 HG2 ARG 10 HG2 ARG 10 49.583 6.437 1.239 110 HG3 ARG 10 HG1 ARG 10 48.798 5.697 2.656 111 HD2 ARG 10 HD2 ARG 10 51.769 5.544 1.984 112 HD3 ARG 10 HD1 ARG 10 51.030 6.543 3.259 113 HE ARG 10 HE ARG 10 51.660 3.744 3.491 114 HH11 ARG 10 HH11 ARG 10 50.129 2.389 4.669 115 HH12 ARG 10 HH12 ARG 10 49.154 3.178 5.863 116 HH21 ARG 10 HH21 ARG 10 50.022 6.376 4.842 117 HH22 ARG 10 HH22 ARG 10 49.093 5.435 5.960 118 H ILE 11 HN ILE 11 47.818 6.450 1.320 119 HA ILE 11 HA ILE 11 44.918 5.645 1.313 120 HB ILE 11 HB ILE 11 46.110 5.684 3.579 121 HG12 ILE 11 HG12 ILE 11 44.359 7.093 4.703 122 HG13 ILE 11 HG11 ILE 11 43.861 7.705 3.115 123 HG21 ILE 11 HG21 ILE 11 46.829 7.760 4.526 124 HG22 ILE 11 HG22 ILE 11 46.114 8.701 3.195 125 HG23 ILE 11 HG23 ILE 11 47.550 7.693 2.901 126 HD11 ILE 11 HD1 ILE 11 43.969 4.704 3.525 127 HD12 ILE 11 HD2 ILE 11 42.895 5.663 2.478 128 HD13 ILE 11 HD3 ILE 11 42.614 5.612 4.231 129 H GLY 12 HN GLY 12 47.329 7.866 0.347 130 HA2 GLY 12 HA1 GLY 12 45.879 10.304 0.271 131 HA3 GLY 12 HA2 GLY 12 47.147 9.826 -0.882 132 H LYS 13 HN LYS 13 45.708 7.420 -1.726 133 HA LYS 13 HA LYS 13 44.334 8.438 -3.974 134 HB2 LYS 13 HB2 LYS 13 45.183 6.044 -3.497 135 HB3 LYS 13 HB1 LYS 13 43.655 5.797 -2.625 136 HG2 LYS 13 HG2 LYS 13 42.500 6.670 -4.784 137 HG3 LYS 13 HG1 LYS 13 44.073 6.416 -5.573 138 HD2 LYS 13 HD2 LYS 13 42.317 4.333 -4.206 139 HD3 LYS 13 HD1 LYS 13 42.795 4.398 -5.918 140 HE2 LYS 13 HE2 LYS 13 45.231 4.201 -5.076 141 HE3 LYS 13 HE1 LYS 13 44.529 3.753 -3.501 142 HZ1 LYS 13 HZ1 LYS 13 43.552 1.855 -4.404 143 HZ2 LYS 13 HZ2 LYS 13 45.085 1.891 -5.135 144 HZ3 LYS 13 HZ3 LYS 13 43.714 2.391 -6.005 145 H GLY 14 HN GLY 14 43.320 7.914 -0.685 146 HA2 GLY 14 HA1 GLY 14 40.450 8.221 -1.323 147 HA3 GLY 14 HA2 GLY 14 41.171 7.922 0.268 148 H VAL 15 HN VAL 15 43.159 10.132 -0.024 149 HA VAL 15 HA VAL 15 41.228 12.453 0.232 150 HB VAL 15 HB VAL 15 42.754 13.349 2.011 151 HG11 VAL 15 HG11 VAL 15 41.910 11.788 3.774 152 HG12 VAL 15 HG12 VAL 15 41.461 10.628 2.500 153 HG13 VAL 15 HG13 VAL 15 40.654 12.211 2.587 154 HG21 VAL 15 HG21 VAL 15 44.188 11.548 3.159 155 HG22 VAL 15 HG22 VAL 15 44.811 12.156 1.611 156 HG23 VAL 15 HG23 VAL 15 43.992 10.579 1.680 157 H LYS 16 HN LYS 16 44.706 11.605 -0.303 158 HA LYS 16 HA LYS 16 45.593 14.147 -1.041 159 HB2 LYS 16 HB2 LYS 16 47.064 12.175 -0.872 160 HB3 LYS 16 HB1 LYS 16 46.375 11.531 -2.383 161 HG2 LYS 16 HG2 LYS 16 47.230 13.378 -3.667 162 HG3 LYS 16 HG1 LYS 16 47.663 14.285 -2.198 163 HD2 LYS 16 HD2 LYS 16 49.298 12.475 -1.611 164 HD3 LYS 16 HD1 LYS 16 48.921 11.678 -3.159 165 HE2 LYS 16 HE2 LYS 16 50.138 14.442 -2.753 166 HE3 LYS 16 HE1 LYS 16 50.914 13.019 -3.490 167 HZ1 LYS 16 HZ1 LYS 16 49.261 13.087 -5.257 168 HZ2 LYS 16 HZ2 LYS 16 50.103 14.560 -5.169 169 HZ3 LYS 16 HZ3 LYS 16 48.522 14.443 -4.555 170 H ILE 17 HN ILE 17 44.144 11.688 -3.267 171 HA ILE 17 HA ILE 17 44.181 13.526 -5.504 172 HB ILE 17 HB ILE 17 44.039 11.021 -5.730 173 HG12 ILE 17 HG12 ILE 17 41.752 12.592 -7.004 174 HG13 ILE 17 HG11 ILE 17 43.433 12.579 -7.580 175 HG21 ILE 17 HG21 ILE 17 41.979 9.867 -5.320 176 HG22 ILE 17 HG22 ILE 17 41.100 11.385 -5.032 177 HG23 ILE 17 HG23 ILE 17 42.307 10.819 -3.855 178 HD11 ILE 17 HD1 ILE 17 43.166 9.985 -7.683 179 HD12 ILE 17 HD2 ILE 17 42.356 10.957 -8.935 180 HD13 ILE 17 HD3 ILE 17 41.419 10.308 -7.571 181 H ILE 18 HN ILE 18 41.723 12.580 -3.091 182 HA ILE 18 HA ILE 18 40.188 15.068 -3.800 183 HB ILE 18 HB ILE 18 39.015 12.271 -3.393 184 HG12 ILE 18 HG12 ILE 18 38.344 14.153 -5.686 185 HG13 ILE 18 HG11 ILE 18 39.877 13.267 -5.742 186 HG21 ILE 18 HG21 ILE 18 37.482 13.603 -2.187 187 HG22 ILE 18 HG22 ILE 18 36.796 13.686 -3.822 188 HG23 ILE 18 HG23 ILE 18 37.770 15.036 -3.200 189 HD11 ILE 18 HD1 ILE 18 38.799 11.151 -5.746 190 HD12 ILE 18 HD2 ILE 18 37.819 12.149 -6.845 191 HD13 ILE 18 HD3 ILE 18 37.255 11.835 -5.187 192 H GLY 19 HN GLY 19 41.278 15.972 -1.983 193 HA2 GLY 19 HA1 GLY 19 39.929 16.246 0.351 194 HA3 GLY 19 HA2 GLY 19 40.833 14.750 0.667 195 H GLY 20 HN GLY 20 42.799 16.190 -1.420 196 HA2 GLY 20 HA1 GLY 20 43.960 18.270 0.303 197 HA3 GLY 20 HA2 GLY 20 44.896 16.763 0.246 198 H ALA 21 HN ALA 21 46.645 17.245 -0.939 199 HA ALA 21 HA ALA 21 47.910 17.985 -2.740 200 HB1 ALA 21 HB1 ALA 21 46.978 17.423 -4.977 201 HB2 ALA 21 HB2 ALA 21 45.404 17.094 -4.212 202 HB3 ALA 21 HB3 ALA 21 46.819 16.089 -3.811 203 H ALA 22 HN ALA 22 45.334 18.818 -4.851 204 HA ALA 22 HA ALA 22 46.171 21.571 -4.974 205 HB1 ALA 22 HB1 ALA 22 45.140 20.453 -6.881 206 HB2 ALA 22 HB2 ALA 22 44.154 21.855 -6.401 207 HB3 ALA 22 HB3 ALA 22 43.638 20.209 -5.960 208 H LEU 23 HN LEU 23 43.475 19.882 -3.375 209 HA LEU 23 HA LEU 23 42.361 22.407 -2.322 210 HB2 LEU 23 HB2 LEU 23 41.693 19.459 -2.025 211 HB3 LEU 23 HB1 LEU 23 40.914 20.686 -0.999 212 HG LEU 23 HG LEU 23 40.103 21.875 -3.002 213 HD11 LEU 23 HD11 LEU 23 41.668 19.699 -4.444 214 HD12 LEU 23 HD12 LEU 23 41.771 21.464 -4.655 215 HD13 LEU 23 HD13 LEU 23 40.341 20.582 -5.236 216 HD21 LEU 23 HD21 LEU 23 39.489 18.898 -3.235 217 HD22 LEU 23 HD22 LEU 23 38.425 20.260 -3.662 218 HD23 LEU 23 HD23 LEU 23 38.822 19.940 -1.956 219 H ASP 24 HN ASP 24 44.623 22.887 -1.408 220 HA ASP 24 HA ASP 24 44.484 22.435 1.457 221 HB2 ASP 24 HB2 ASP 24 45.454 20.250 0.681 222 HB3 ASP 24 HB1 ASP 24 46.828 21.154 0.001 223 H HIS 25 HN HIS 25 46.479 23.334 -1.359 224 HA HIS 25 HA HIS 25 48.188 25.128 0.143 225 HB2 HIS 25 HB2 HIS 25 47.549 24.977 -2.830 226 HB3 HIS 25 HB1 HIS 25 48.845 25.966 -2.111 227 HD1 HIS 25 HD1 HIS 25 49.674 23.804 0.097 228 HD2 HIS 25 HD2 HIS 25 49.348 23.144 -4.042 229 HE1 HIS 25 HE1 HIS 25 51.100 21.759 -0.463 230 H LEU 26 HN LEU 26 46.207 26.202 -2.609 231 HA LEU 26 HA LEU 26 44.988 28.160 -2.885 232 HB2 LEU 26 HB2 LEU 26 44.198 27.291 -0.084 233 HB3 LEU 26 HB1 LEU 26 43.495 28.743 -0.836 234 HG LEU 26 HG LEU 26 42.745 27.365 -2.768 235 HD11 LEU 26 HD11 LEU 26 44.292 25.561 -2.878 236 HD12 LEU 26 HD12 LEU 26 42.786 24.799 -2.323 237 HD13 LEU 26 HD13 LEU 26 44.082 25.157 -1.157 238 HD21 LEU 26 HD21 LEU 26 41.895 26.283 -0.043 239 HD22 LEU 26 HD22 LEU 26 40.963 26.142 -1.552 240 HD23 LEU 26 HD23 LEU 26 41.246 27.743 -0.827 Start of MODEL 55 1 H1 GLY 1 HT1 GLY 1 61.222 3.330 4.396 2 H2 GLY 1 HT2 GLY 1 59.845 3.444 5.385 3 H3 GLY 1 HT3 GLY 1 60.168 4.647 4.229 4 HA2 GLY 1 HA1 GLY 1 59.391 1.849 3.765 5 HA3 GLY 1 HA2 GLY 1 58.455 3.310 3.397 6 H ARG 2 HN ARG 2 58.986 1.346 1.486 7 HA ARG 2 HA ARG 2 61.280 2.247 -0.140 8 HB2 ARG 2 HB2 ARG 2 59.085 0.173 -0.478 9 HB3 ARG 2 HB1 ARG 2 60.179 0.589 -1.815 10 HG2 ARG 2 HG2 ARG 2 60.997 -1.375 -0.518 11 HG3 ARG 2 HG1 ARG 2 62.132 -0.008 -0.447 12 HD2 ARG 2 HD2 ARG 2 61.602 -1.232 1.775 13 HD3 ARG 2 HD1 ARG 2 61.508 0.543 1.781 14 HE ARG 2 HE ARG 2 59.194 0.333 2.200 15 HH11 ARG 2 HH11 ARG 2 60.041 -2.549 3.049 16 HH12 ARG 2 HH12 ARG 2 58.785 -3.463 2.282 17 HH21 ARG 2 HH21 ARG 2 57.751 -0.843 0.259 18 HH22 ARG 2 HH22 ARG 2 57.488 -2.498 0.702 19 H ARG 3 HN ARG 3 60.536 2.336 -2.664 20 HA ARG 3 HA ARG 3 59.675 3.777 -4.258 21 HB2 ARG 3 HB2 ARG 3 57.216 3.572 -2.473 22 HB3 ARG 3 HB1 ARG 3 57.230 4.268 -4.110 23 HG2 ARG 3 HG2 ARG 3 57.946 2.148 -5.070 24 HG3 ARG 3 HG1 ARG 3 58.140 1.435 -3.450 25 HD2 ARG 3 HD2 ARG 3 55.500 2.507 -4.527 26 HD3 ARG 3 HD1 ARG 3 55.982 0.796 -4.602 27 HE ARG 3 HE ARG 3 56.168 1.876 -1.903 28 HH11 ARG 3 HH11 ARG 3 53.417 2.128 -3.575 29 HH12 ARG 3 HH12 ARG 3 52.541 0.859 -2.786 30 HH21 ARG 3 HH21 ARG 3 55.333 -0.440 -1.194 31 HH22 ARG 3 HH22 ARG 3 53.627 -0.595 -1.438 32 H LYS 4 HN LYS 4 57.780 5.105 -1.541 33 HA LYS 4 HA LYS 4 59.545 7.494 -1.414 34 HB2 LYS 4 HB2 LYS 4 57.818 7.840 -3.286 35 HB3 LYS 4 HB1 LYS 4 56.580 7.833 -2.009 36 HG2 LYS 4 HG2 LYS 4 57.765 9.696 -0.862 37 HG3 LYS 4 HG1 LYS 4 58.980 9.713 -2.162 38 HD2 LYS 4 HD2 LYS 4 57.287 10.298 -3.813 39 HD3 LYS 4 HD1 LYS 4 55.991 10.120 -2.604 40 HE2 LYS 4 HE2 LYS 4 56.482 12.488 -2.829 41 HE3 LYS 4 HE1 LYS 4 57.104 11.944 -1.252 42 HZ1 LYS 4 HZ1 LYS 4 58.649 12.412 -3.748 43 HZ2 LYS 4 HZ2 LYS 4 59.292 11.615 -2.393 44 HZ3 LYS 4 HZ3 LYS 4 58.791 13.234 -2.271 45 H ARG 5 HN ARG 5 59.548 5.875 0.585 46 HA ARG 5 HA ARG 5 59.017 5.582 2.820 47 HB2 ARG 5 HB2 ARG 5 58.116 8.473 2.490 48 HB3 ARG 5 HB1 ARG 5 58.357 7.653 4.051 49 HG2 ARG 5 HG2 ARG 5 60.730 7.173 3.380 50 HG3 ARG 5 HG1 ARG 5 60.467 8.129 1.902 51 HD2 ARG 5 HD2 ARG 5 59.794 10.075 3.376 52 HD3 ARG 5 HD1 ARG 5 60.303 9.110 4.782 53 HE ARG 5 HE ARG 5 62.074 10.491 2.954 54 HH11 ARG 5 HH11 ARG 5 62.020 8.861 5.809 55 HH12 ARG 5 HH12 ARG 5 63.550 8.070 5.628 56 HH21 ARG 5 HH21 ARG 5 63.909 8.948 2.292 57 HH22 ARG 5 HH22 ARG 5 64.618 8.118 3.637 58 H LYS 6 HN LYS 6 56.492 7.837 3.176 59 HA LYS 6 HA LYS 6 54.344 5.868 2.526 60 HB2 LYS 6 HB2 LYS 6 54.613 7.102 5.296 61 HB3 LYS 6 HB1 LYS 6 53.402 5.919 4.747 62 HG2 LYS 6 HG2 LYS 6 55.312 4.319 4.265 63 HG3 LYS 6 HG1 LYS 6 56.401 5.481 5.061 64 HD2 LYS 6 HD2 LYS 6 54.885 5.368 7.095 65 HD3 LYS 6 HD1 LYS 6 54.026 4.028 6.297 66 HE2 LYS 6 HE2 LYS 6 56.245 2.830 6.090 67 HE3 LYS 6 HE1 LYS 6 56.969 4.117 7.086 68 HZ1 LYS 6 HZ1 LYS 6 54.535 2.895 8.125 69 HZ2 LYS 6 HZ2 LYS 6 55.948 3.376 8.937 70 HZ3 LYS 6 HZ3 LYS 6 55.906 1.899 8.099 71 H TRP 7 HN TRP 7 54.154 7.638 0.887 72 HA TRP 7 HA TRP 7 52.028 9.430 1.714 73 HB2 TRP 7 HB2 TRP 7 53.986 10.685 2.605 74 HB3 TRP 7 HB1 TRP 7 54.686 10.714 0.968 75 HD1 TRP 7 HD1 TRP 7 54.059 12.732 -0.439 76 HE1 TRP 7 HE1 TRP 7 52.193 14.542 -0.435 77 HE3 TRP 7 HE3 TRP 7 51.206 10.944 3.419 78 HZ2 TRP 7 HZ2 TRP 7 49.796 15.109 1.056 79 HZ3 TRP 7 HZ3 TRP 7 49.133 12.136 4.113 80 HH2 TRP 7 HH2 TRP 7 48.426 14.215 2.937 81 H LEU 8 HN LEU 8 53.625 7.570 -0.451 82 HA LEU 8 HA LEU 8 53.439 8.987 -2.913 83 HB2 LEU 8 HB2 LEU 8 53.079 6.559 -3.852 84 HB3 LEU 8 HB1 LEU 8 54.616 6.961 -3.060 85 HG LEU 8 HG LEU 8 52.486 5.977 -1.184 86 HD11 LEU 8 HD11 LEU 8 51.905 4.462 -2.931 87 HD12 LEU 8 HD12 LEU 8 52.986 3.557 -1.843 88 HD13 LEU 8 HD13 LEU 8 53.608 4.204 -3.382 89 HD21 LEU 8 HD21 LEU 8 54.323 4.905 -0.111 90 HD22 LEU 8 HD22 LEU 8 54.999 6.433 -0.720 91 HD23 LEU 8 HD23 LEU 8 55.309 4.915 -1.593 92 H ARG 9 HN ARG 9 51.319 6.190 -2.568 93 HA ARG 9 HA ARG 9 48.903 7.935 -2.882 94 HB2 ARG 9 HB2 ARG 9 49.859 5.769 -4.784 95 HB3 ARG 9 HB1 ARG 9 48.143 6.220 -4.685 96 HG2 ARG 9 HG2 ARG 9 50.253 8.379 -5.065 97 HG3 ARG 9 HG1 ARG 9 49.715 7.416 -6.454 98 HD2 ARG 9 HD2 ARG 9 47.329 8.050 -5.891 99 HD3 ARG 9 HD1 ARG 9 47.970 9.147 -4.645 100 HE ARG 9 HE ARG 9 49.271 9.727 -7.121 101 HH11 ARG 9 HH11 ARG 9 48.118 10.899 -8.781 102 HH12 ARG 9 HH12 ARG 9 46.735 11.814 -8.288 103 HH21 ARG 9 HH21 ARG 9 46.647 10.469 -5.093 104 HH22 ARG 9 HH22 ARG 9 45.901 11.572 -6.201 105 H ARG 10 HN ARG 10 50.322 5.860 -0.942 106 HA ARG 10 HA ARG 10 48.806 3.549 -0.651 107 HB2 ARG 10 HB2 ARG 10 49.016 4.178 1.966 108 HB3 ARG 10 HB1 ARG 10 50.435 3.707 1.002 109 HG2 ARG 10 HG2 ARG 10 51.175 5.945 0.757 110 HG3 ARG 10 HG1 ARG 10 49.597 6.625 1.200 111 HD2 ARG 10 HD2 ARG 10 51.448 6.737 2.986 112 HD3 ARG 10 HD1 ARG 10 49.886 6.059 3.506 113 HE ARG 10 HE ARG 10 52.401 4.514 3.044 114 HH11 ARG 10 HH11 ARG 10 50.900 2.412 2.291 115 HH12 ARG 10 HH12 ARG 10 50.067 1.809 3.686 116 HH21 ARG 10 HH21 ARG 10 50.532 4.700 5.544 117 HH22 ARG 10 HH22 ARG 10 49.862 3.102 5.528 118 H ILE 11 HN ILE 11 47.990 6.095 1.677 119 HA ILE 11 HA ILE 11 45.112 5.419 1.340 120 HB ILE 11 HB ILE 11 44.796 6.879 3.348 121 HG12 ILE 11 HG12 ILE 11 47.273 7.208 4.529 122 HG13 ILE 11 HG11 ILE 11 47.726 7.442 2.831 123 HG21 ILE 11 HG21 ILE 11 46.954 4.746 3.653 124 HG22 ILE 11 HG22 ILE 11 45.209 4.429 3.497 125 HG23 ILE 11 HG23 ILE 11 45.831 5.303 4.917 126 HD11 ILE 11 HD1 ILE 11 47.118 9.567 4.031 127 HD12 ILE 11 HD2 ILE 11 45.463 8.946 4.222 128 HD13 ILE 11 HD3 ILE 11 46.115 9.262 2.598 129 H GLY 12 HN GLY 12 47.366 7.607 0.108 130 HA2 GLY 12 HA1 GLY 12 45.943 10.047 0.027 131 HA3 GLY 12 HA2 GLY 12 47.104 9.496 -1.199 132 H LYS 13 HN LYS 13 45.778 7.202 -2.114 133 HA LYS 13 HA LYS 13 44.103 8.250 -4.118 134 HB2 LYS 13 HB2 LYS 13 45.096 6.014 -4.223 135 HB3 LYS 13 HB1 LYS 13 44.098 5.478 -2.858 136 HG2 LYS 13 HG2 LYS 13 42.556 6.669 -5.145 137 HG3 LYS 13 HG1 LYS 13 43.396 5.159 -5.533 138 HD2 LYS 13 HD2 LYS 13 41.643 5.430 -3.052 139 HD3 LYS 13 HD1 LYS 13 40.974 4.973 -4.630 140 HE2 LYS 13 HE2 LYS 13 42.830 3.121 -4.636 141 HE3 LYS 13 HE1 LYS 13 42.944 3.451 -2.892 142 HZ1 LYS 13 HZ1 LYS 13 41.286 1.966 -2.795 143 HZ2 LYS 13 HZ2 LYS 13 40.819 2.188 -4.414 144 HZ3 LYS 13 HZ3 LYS 13 40.301 3.280 -3.221 145 H GLY 14 HN GLY 14 43.495 7.891 -0.783 146 HA2 GLY 14 HA1 GLY 14 40.523 7.851 -1.163 147 HA3 GLY 14 HA2 GLY 14 41.401 7.540 0.345 148 H VAL 15 HN VAL 15 43.210 9.852 0.021 149 HA VAL 15 HA VAL 15 41.206 12.060 0.552 150 HB VAL 15 HB VAL 15 42.891 12.957 2.190 151 HG11 VAL 15 HG11 VAL 15 42.345 11.302 3.964 152 HG12 VAL 15 HG12 VAL 15 41.840 10.141 2.713 153 HG13 VAL 15 HG13 VAL 15 40.934 11.655 2.940 154 HG21 VAL 15 HG21 VAL 15 44.200 10.260 1.618 155 HG22 VAL 15 HG22 VAL 15 44.565 11.244 3.054 156 HG23 VAL 15 HG23 VAL 15 44.924 11.874 1.430 157 H LYS 16 HN LYS 16 44.517 11.245 -0.553 158 HA LYS 16 HA LYS 16 45.329 13.854 -1.274 159 HB2 LYS 16 HB2 LYS 16 46.799 11.846 -1.291 160 HB3 LYS 16 HB1 LYS 16 45.956 11.266 -2.747 161 HG2 LYS 16 HG2 LYS 16 46.679 13.185 -4.027 162 HG3 LYS 16 HG1 LYS 16 47.316 13.985 -2.570 163 HD2 LYS 16 HD2 LYS 16 48.988 12.187 -2.298 164 HD3 LYS 16 HD1 LYS 16 48.345 11.360 -3.736 165 HE2 LYS 16 HE2 LYS 16 49.498 14.184 -3.723 166 HE3 LYS 16 HE1 LYS 16 50.374 12.727 -4.253 167 HZ1 LYS 16 HZ1 LYS 16 49.341 13.945 -6.102 168 HZ2 LYS 16 HZ2 LYS 16 47.808 13.693 -5.415 169 HZ3 LYS 16 HZ3 LYS 16 48.727 12.370 -5.956 170 H ILE 17 HN ILE 17 43.696 11.378 -3.321 171 HA ILE 17 HA ILE 17 43.502 13.012 -5.639 172 HB ILE 17 HB ILE 17 43.033 10.552 -5.579 173 HG12 ILE 17 HG12 ILE 17 40.704 12.220 -6.638 174 HG13 ILE 17 HG11 ILE 17 42.279 12.073 -7.448 175 HG21 ILE 17 HG21 ILE 17 40.971 9.694 -4.716 176 HG22 ILE 17 HG22 ILE 17 40.297 11.325 -4.492 177 HG23 ILE 17 HG23 ILE 17 41.616 10.755 -3.443 178 HD11 ILE 17 HD1 ILE 17 41.904 9.517 -7.370 179 HD12 ILE 17 HD2 ILE 17 40.887 10.444 -8.499 180 HD13 ILE 17 HD3 ILE 17 40.217 9.896 -6.945 181 H ILE 18 HN ILE 18 41.293 12.652 -2.845 182 HA ILE 18 HA ILE 18 39.312 14.467 -3.977 183 HB ILE 18 HB ILE 18 39.626 13.827 -1.014 184 HG12 ILE 18 HG12 ILE 18 38.438 12.095 -3.231 185 HG13 ILE 18 HG11 ILE 18 39.830 11.697 -2.197 186 HG21 ILE 18 HG21 ILE 18 37.251 14.168 -0.941 187 HG22 ILE 18 HG22 ILE 18 37.115 14.122 -2.716 188 HG23 ILE 18 HG23 ILE 18 37.896 15.506 -1.918 189 HD11 ILE 18 HD1 ILE 18 36.897 11.887 -1.433 190 HD12 ILE 18 HD2 ILE 18 38.179 12.002 -0.201 191 HD13 ILE 18 HD3 ILE 18 38.023 10.533 -1.193 192 H GLY 19 HN GLY 19 42.317 14.814 -2.304 193 HA2 GLY 19 HA1 GLY 19 42.009 17.183 -0.862 194 HA3 GLY 19 HA2 GLY 19 43.489 16.725 -1.727 195 H GLY 20 HN GLY 20 41.586 16.735 -4.231 196 HA2 GLY 20 HA1 GLY 20 40.884 18.299 -5.807 197 HA3 GLY 20 HA2 GLY 20 41.006 19.575 -4.578 198 H ALA 21 HN ALA 21 43.669 19.366 -3.823 199 HA ALA 21 HA ALA 21 44.965 20.923 -5.789 200 HB1 ALA 21 HB1 ALA 21 47.075 20.279 -4.569 201 HB2 ALA 21 HB2 ALA 21 46.098 19.145 -3.605 202 HB3 ALA 21 HB3 ALA 21 45.773 20.894 -3.523 203 H ALA 22 HN ALA 22 44.967 17.409 -5.243 204 HA ALA 22 HA ALA 22 46.891 16.907 -7.398 205 HB1 ALA 22 HB1 ALA 22 46.580 15.433 -5.386 206 HB2 ALA 22 HB2 ALA 22 46.470 14.576 -6.942 207 HB3 ALA 22 HB3 ALA 22 44.989 14.970 -6.035 208 H LEU 23 HN LEU 23 43.365 16.455 -6.911 209 HA LEU 23 HA LEU 23 42.979 15.683 -9.721 210 HB2 LEU 23 HB2 LEU 23 41.597 14.849 -7.747 211 HB3 LEU 23 HB1 LEU 23 40.883 16.475 -7.667 212 HG LEU 23 HG LEU 23 40.416 16.061 -10.277 213 HD11 LEU 23 HD11 LEU 23 41.628 13.897 -10.389 214 HD12 LEU 23 HD12 LEU 23 39.900 13.679 -10.739 215 HD13 LEU 23 HD13 LEU 23 40.548 13.227 -9.145 216 HD21 LEU 23 HD21 LEU 23 38.217 14.982 -9.641 217 HD22 LEU 23 HD22 LEU 23 38.626 16.417 -8.672 218 HD23 LEU 23 HD23 LEU 23 38.848 14.789 -7.989 219 H ASP 24 HN ASP 24 44.229 17.871 -10.184 220 HA ASP 24 HA ASP 24 42.212 19.654 -11.298 221 HB2 ASP 24 HB2 ASP 24 42.239 20.454 -8.944 222 HB3 ASP 24 HB1 ASP 24 43.989 20.749 -9.081 223 H HIS 25 HN HIS 25 45.167 18.185 -11.242 224 HA HIS 25 HA HIS 25 46.798 20.263 -12.466 225 HB2 HIS 25 HB2 HIS 25 47.703 18.263 -11.238 226 HB3 HIS 25 HB1 HIS 25 47.157 17.244 -12.591 227 HD1 HIS 25 HD1 HIS 25 48.398 20.675 -13.426 228 HD2 HIS 25 HD2 HIS 25 49.959 16.772 -13.224 229 HE1 HIS 25 HE1 HIS 25 50.646 20.690 -14.640 230 H LEU 26 HN LEU 26 46.346 21.114 -14.389 231 HA LEU 26 HA LEU 26 44.649 19.939 -16.343 232 HB2 LEU 26 HB2 LEU 26 46.801 22.079 -16.453 233 HB3 LEU 26 HB1 LEU 26 45.938 21.579 -17.926 234 HG LEU 26 HG LEU 26 43.778 22.134 -16.879 235 HD11 LEU 26 HD11 LEU 26 43.909 23.443 -14.652 236 HD12 LEU 26 HD12 LEU 26 45.543 22.757 -14.478 237 HD13 LEU 26 HD13 LEU 26 44.126 21.681 -14.560 238 HD21 LEU 26 HD21 LEU 26 44.034 24.552 -16.871 239 HD22 LEU 26 HD22 LEU 26 45.161 23.885 -18.076 240 HD23 LEU 26 HD23 LEU 26 45.766 24.415 -16.487 Start of MODEL 56 1 H1 GLY 1 HT1 GLY 1 54.895 -0.723 -4.096 2 H2 GLY 1 HT2 GLY 1 56.358 -0.526 -4.938 3 H3 GLY 1 HT3 GLY 1 55.502 0.833 -4.383 4 HA2 GLY 1 HA1 GLY 1 55.908 -0.772 -2.193 5 HA3 GLY 1 HA2 GLY 1 57.441 -0.712 -3.084 6 H ARG 2 HN ARG 2 58.326 0.451 -1.286 7 HA ARG 2 HA ARG 2 57.234 3.061 -0.574 8 HB2 ARG 2 HB2 ARG 2 60.037 2.004 -0.059 9 HB3 ARG 2 HB1 ARG 2 59.163 3.264 0.846 10 HG2 ARG 2 HG2 ARG 2 57.423 1.534 1.442 11 HG3 ARG 2 HG1 ARG 2 58.459 0.302 0.682 12 HD2 ARG 2 HD2 ARG 2 60.290 0.855 2.239 13 HD3 ARG 2 HD1 ARG 2 59.290 2.126 2.983 14 HE ARG 2 HE ARG 2 59.161 -0.655 3.642 15 HH11 ARG 2 HH11 ARG 2 56.779 -1.451 3.168 16 HH12 ARG 2 HH12 ARG 2 55.608 -0.472 3.989 17 HH21 ARG 2 HH21 ARG 2 57.819 2.130 4.593 18 HH22 ARG 2 HH22 ARG 2 56.197 1.555 4.795 19 H ARG 3 HN ARG 3 57.048 4.002 -2.714 20 HA ARG 3 HA ARG 3 59.317 4.430 -4.410 21 HB2 ARG 3 HB2 ARG 3 56.771 6.066 -4.077 22 HB3 ARG 3 HB1 ARG 3 57.925 6.225 -5.423 23 HG2 ARG 3 HG2 ARG 3 57.540 3.885 -6.071 24 HG3 ARG 3 HG1 ARG 3 56.445 3.661 -4.684 25 HD2 ARG 3 HD2 ARG 3 56.015 5.677 -6.932 26 HD3 ARG 3 HD1 ARG 3 55.210 4.093 -6.818 27 HE ARG 3 HE ARG 3 54.730 5.428 -4.371 28 HH11 ARG 3 HH11 ARG 3 54.008 7.865 -4.981 29 HH12 ARG 3 HH12 ARG 3 52.577 7.833 -5.957 30 HH21 ARG 3 HH21 ARG 3 52.923 4.494 -6.826 31 HH22 ARG 3 HH22 ARG 3 51.963 5.926 -7.003 32 H LYS 4 HN LYS 4 57.982 6.234 -1.655 33 HA LYS 4 HA LYS 4 60.516 7.525 -1.159 34 HB2 LYS 4 HB2 LYS 4 59.616 9.901 -1.548 35 HB3 LYS 4 HB1 LYS 4 60.064 8.969 -2.997 36 HG2 LYS 4 HG2 LYS 4 57.795 8.497 -3.546 37 HG3 LYS 4 HG1 LYS 4 57.216 8.956 -1.928 38 HD2 LYS 4 HD2 LYS 4 56.722 10.705 -3.643 39 HD3 LYS 4 HD1 LYS 4 57.786 11.306 -2.350 40 HE2 LYS 4 HE2 LYS 4 58.454 11.886 -4.777 41 HE3 LYS 4 HE1 LYS 4 59.721 11.190 -3.740 42 HZ1 LYS 4 HZ1 LYS 4 59.340 10.230 -6.091 43 HZ2 LYS 4 HZ2 LYS 4 58.013 9.434 -5.391 44 HZ3 LYS 4 HZ3 LYS 4 59.582 9.158 -4.799 45 H ARG 5 HN ARG 5 59.505 6.188 0.697 46 HA ARG 5 HA ARG 5 58.514 6.183 2.798 47 HB2 ARG 5 HB2 ARG 5 58.671 9.215 2.678 48 HB3 ARG 5 HB1 ARG 5 58.780 8.160 4.107 49 HG2 ARG 5 HG2 ARG 5 60.803 8.341 1.830 50 HG3 ARG 5 HG1 ARG 5 61.022 8.950 3.486 51 HD2 ARG 5 HD2 ARG 5 60.856 6.071 2.536 52 HD3 ARG 5 HD1 ARG 5 62.138 6.854 3.487 53 HE ARG 5 HE ARG 5 59.665 5.720 4.550 54 HH11 ARG 5 HH11 ARG 5 58.944 7.781 6.037 55 HH12 ARG 5 HH12 ARG 5 60.137 8.053 7.264 56 HH21 ARG 5 HH21 ARG 5 62.592 6.203 5.659 57 HH22 ARG 5 HH22 ARG 5 62.203 7.159 7.050 58 H LYS 6 HN LYS 6 56.673 7.259 4.175 59 HA LYS 6 HA LYS 6 54.247 6.872 2.734 60 HB2 LYS 6 HB2 LYS 6 54.493 8.547 5.257 61 HB3 LYS 6 HB1 LYS 6 53.125 7.540 4.728 62 HG2 LYS 6 HG2 LYS 6 55.871 6.572 5.639 63 HG3 LYS 6 HG1 LYS 6 54.321 6.354 6.484 64 HD2 LYS 6 HD2 LYS 6 53.527 5.115 4.351 65 HD3 LYS 6 HD1 LYS 6 55.244 5.076 3.882 66 HE2 LYS 6 HE2 LYS 6 55.814 3.911 5.977 67 HE3 LYS 6 HE1 LYS 6 54.114 3.986 6.497 68 HZ1 LYS 6 HZ1 LYS 6 55.257 2.492 4.198 69 HZ2 LYS 6 HZ2 LYS 6 53.590 2.766 4.376 70 HZ3 LYS 6 HZ3 LYS 6 54.435 1.868 5.544 71 H TRP 7 HN TRP 7 54.198 8.110 0.855 72 HA TRP 7 HA TRP 7 53.048 10.740 1.173 73 HB2 TRP 7 HB2 TRP 7 55.418 11.339 1.615 74 HB3 TRP 7 HB1 TRP 7 55.870 10.652 0.036 75 HD1 TRP 7 HD1 TRP 7 55.568 12.140 -2.034 76 HE1 TRP 7 HE1 TRP 7 54.605 14.509 -2.503 77 HE3 TRP 7 HE3 TRP 7 53.441 13.062 2.530 78 HZ2 TRP 7 HZ2 TRP 7 53.114 16.511 -1.064 79 HZ3 TRP 7 HZ3 TRP 7 52.252 15.208 2.959 80 HH2 TRP 7 HH2 TRP 7 52.088 16.931 1.168 81 H LEU 8 HN LEU 8 53.470 7.920 -0.386 82 HA LEU 8 HA LEU 8 53.383 8.791 -3.162 83 HB2 LEU 8 HB2 LEU 8 52.361 6.287 -3.316 84 HB3 LEU 8 HB1 LEU 8 54.098 6.585 -3.094 85 HG LEU 8 HG LEU 8 52.363 6.424 -0.609 86 HD11 LEU 8 HD11 LEU 8 53.298 4.013 -2.229 87 HD12 LEU 8 HD12 LEU 8 51.611 4.474 -1.891 88 HD13 LEU 8 HD13 LEU 8 52.674 3.945 -0.563 89 HD21 LEU 8 HD21 LEU 8 54.378 5.730 0.434 90 HD22 LEU 8 HD22 LEU 8 54.939 6.924 -0.760 91 HD23 LEU 8 HD23 LEU 8 55.103 5.188 -1.099 92 H ARG 9 HN ARG 9 50.873 6.617 -2.026 93 HA ARG 9 HA ARG 9 48.761 8.592 -1.927 94 HB2 ARG 9 HB2 ARG 9 47.619 7.627 -4.083 95 HB3 ARG 9 HB1 ARG 9 48.873 8.874 -4.259 96 HG2 ARG 9 HG2 ARG 9 49.215 7.010 -5.859 97 HG3 ARG 9 HG1 ARG 9 50.569 7.141 -4.717 98 HD2 ARG 9 HD2 ARG 9 49.884 5.225 -3.498 99 HD3 ARG 9 HD1 ARG 9 48.232 5.277 -4.165 100 HE ARG 9 HE ARG 9 50.503 3.967 -5.387 101 HH11 ARG 9 HH11 ARG 9 47.339 3.845 -5.697 102 HH12 ARG 9 HH12 ARG 9 47.234 4.062 -7.412 103 HH21 ARG 9 HH21 ARG 9 50.524 5.104 -7.751 104 HH22 ARG 9 HH22 ARG 9 49.036 4.775 -8.574 105 H ARG 10 HN ARG 10 49.890 6.144 -0.595 106 HA ARG 10 HA ARG 10 48.353 3.843 -0.887 107 HB2 ARG 10 HB2 ARG 10 48.457 3.890 1.812 108 HB3 ARG 10 HB1 ARG 10 49.911 3.617 0.826 109 HG2 ARG 10 HG2 ARG 10 50.639 5.875 1.056 110 HG3 ARG 10 HG1 ARG 10 49.057 6.415 1.662 111 HD2 ARG 10 HD2 ARG 10 50.810 6.173 3.465 112 HD3 ARG 10 HD1 ARG 10 49.362 5.174 3.735 113 HE ARG 10 HE ARG 10 51.446 3.737 2.287 114 HH11 ARG 10 HH11 ARG 10 51.128 5.171 5.350 115 HH12 ARG 10 HH12 ARG 10 51.538 3.739 6.236 116 HH21 ARG 10 HH21 ARG 10 51.626 1.706 3.429 117 HH22 ARG 10 HH22 ARG 10 51.818 1.779 5.149 118 H ILE 11 HN ILE 11 47.426 5.738 1.953 119 HA ILE 11 HA ILE 11 44.589 5.193 1.354 120 HB ILE 11 HB ILE 11 44.210 6.483 3.510 121 HG12 ILE 11 HG12 ILE 11 47.222 6.297 3.950 122 HG13 ILE 11 HG11 ILE 11 46.541 7.725 3.144 123 HG21 ILE 11 HG21 ILE 11 44.461 4.002 3.399 124 HG22 ILE 11 HG22 ILE 11 45.074 4.667 4.930 125 HG23 ILE 11 HG23 ILE 11 46.211 4.182 3.651 126 HD11 ILE 11 HD1 ILE 11 45.778 6.683 5.908 127 HD12 ILE 11 HD2 ILE 11 44.997 8.056 5.085 128 HD13 ILE 11 HD3 ILE 11 46.713 8.151 5.545 129 H GLY 12 HN GLY 12 46.909 7.633 0.690 130 HA2 GLY 12 HA1 GLY 12 45.298 9.975 0.768 131 HA3 GLY 12 HA2 GLY 12 46.684 9.712 -0.317 132 H LYS 13 HN LYS 13 45.683 7.431 -1.657 133 HA LYS 13 HA LYS 13 44.346 8.503 -3.853 134 HB2 LYS 13 HB2 LYS 13 45.299 6.227 -3.767 135 HB3 LYS 13 HB1 LYS 13 44.007 5.732 -2.645 136 HG2 LYS 13 HG2 LYS 13 42.306 6.062 -4.322 137 HG3 LYS 13 HG1 LYS 13 43.456 6.871 -5.413 138 HD2 LYS 13 HD2 LYS 13 43.025 4.499 -6.080 139 HD3 LYS 13 HD1 LYS 13 44.732 4.791 -5.676 140 HE2 LYS 13 HE2 LYS 13 43.588 2.663 -4.689 141 HE3 LYS 13 HE1 LYS 13 44.561 3.669 -3.591 142 HZ1 LYS 13 HZ1 LYS 13 42.732 4.394 -2.501 143 HZ2 LYS 13 HZ2 LYS 13 42.083 2.922 -3.047 144 HZ3 LYS 13 HZ3 LYS 13 41.735 4.365 -3.873 145 H GLY 14 HN GLY 14 43.128 7.854 -0.682 146 HA2 GLY 14 HA1 GLY 14 40.283 7.961 -1.559 147 HA3 GLY 14 HA2 GLY 14 40.888 7.572 0.062 148 H VAL 15 HN VAL 15 42.581 9.712 0.611 149 HA VAL 15 HA VAL 15 40.541 11.921 0.806 150 HB VAL 15 HB VAL 15 42.091 12.809 2.611 151 HG11 VAL 15 HG11 VAL 15 41.414 11.025 4.263 152 HG12 VAL 15 HG12 VAL 15 40.892 10.020 2.890 153 HG13 VAL 15 HG13 VAL 15 40.086 11.573 3.214 154 HG21 VAL 15 HG21 VAL 15 43.687 11.127 3.581 155 HG22 VAL 15 HG22 VAL 15 44.166 11.678 1.960 156 HG23 VAL 15 HG23 VAL 15 43.399 10.085 2.169 157 H LYS 16 HN LYS 16 43.973 11.301 -0.028 158 HA LYS 16 HA LYS 16 44.667 13.991 -0.625 159 HB2 LYS 16 HB2 LYS 16 46.259 12.054 -0.469 160 HB3 LYS 16 HB1 LYS 16 45.667 11.498 -2.054 161 HG2 LYS 16 HG2 LYS 16 46.378 13.585 -3.107 162 HG3 LYS 16 HG1 LYS 16 46.853 14.258 -1.529 163 HD2 LYS 16 HD2 LYS 16 48.603 12.592 -1.274 164 HD3 LYS 16 HD1 LYS 16 48.054 11.727 -2.729 165 HE2 LYS 16 HE2 LYS 16 50.028 13.145 -3.224 166 HE3 LYS 16 HE1 LYS 16 48.593 13.706 -4.116 167 HZ1 LYS 16 HZ1 LYS 16 48.844 14.889 -1.506 168 HZ2 LYS 16 HZ2 LYS 16 48.593 15.628 -3.016 169 HZ3 LYS 16 HZ3 LYS 16 50.167 15.237 -2.509 170 H ILE 17 HN ILE 17 42.987 11.514 -2.542 171 HA ILE 17 HA ILE 17 43.110 12.903 -5.045 172 HB ILE 17 HB ILE 17 42.414 10.462 -4.596 173 HG12 ILE 17 HG12 ILE 17 40.556 12.079 -6.405 174 HG13 ILE 17 HG11 ILE 17 42.228 11.648 -6.823 175 HG21 ILE 17 HG21 ILE 17 40.646 11.209 -2.876 176 HG22 ILE 17 HG22 ILE 17 40.151 9.963 -4.042 177 HG23 ILE 17 HG23 ILE 17 39.634 11.650 -4.270 178 HD11 ILE 17 HD1 ILE 17 40.871 9.967 -7.835 179 HD12 ILE 17 HD2 ILE 17 39.861 9.794 -6.381 180 HD13 ILE 17 HD3 ILE 17 41.540 9.202 -6.375 181 H ILE 18 HN ILE 18 41.845 13.997 -2.222 182 HA ILE 18 HA ILE 18 40.399 15.722 -1.701 183 HB ILE 18 HB ILE 18 40.137 16.301 -4.682 184 HG12 ILE 18 HG12 ILE 18 42.359 17.091 -2.741 185 HG13 ILE 18 HG11 ILE 18 42.531 16.055 -4.176 186 HG21 ILE 18 HG21 ILE 18 38.703 17.488 -2.900 187 HG22 ILE 18 HG22 ILE 18 39.659 18.536 -3.972 188 HG23 ILE 18 HG23 ILE 18 40.219 18.213 -2.313 189 HD11 ILE 18 HD1 ILE 18 41.590 18.087 -5.511 190 HD12 ILE 18 HD2 ILE 18 43.266 18.187 -4.918 191 HD13 ILE 18 HD3 ILE 18 41.965 19.035 -4.051 192 H GLY 19 HN GLY 19 38.962 13.931 -1.087 193 HA2 GLY 19 HA1 GLY 19 36.766 13.294 -2.954 194 HA3 GLY 19 HA2 GLY 19 36.994 12.670 -1.310 195 H GLY 20 HN GLY 20 37.049 16.094 -2.213 196 HA2 GLY 20 HA1 GLY 20 35.512 17.786 -1.784 197 HA3 GLY 20 HA2 GLY 20 34.281 16.555 -1.440 198 H ALA 21 HN ALA 21 35.829 15.176 0.597 199 HA ALA 21 HA ALA 21 34.946 16.615 2.886 200 HB1 ALA 21 HB1 ALA 21 35.378 14.205 2.905 201 HB2 ALA 21 HB2 ALA 21 36.336 15.017 4.165 202 HB3 ALA 21 HB3 ALA 21 37.114 14.497 2.650 203 H ALA 22 HN ALA 22 38.271 16.206 1.581 204 HA ALA 22 HA ALA 22 39.513 17.939 3.488 205 HB1 ALA 22 HB1 ALA 22 40.663 16.311 1.946 206 HB2 ALA 22 HB2 ALA 22 41.405 17.928 2.002 207 HB3 ALA 22 HB3 ALA 22 40.384 17.465 0.620 208 H LEU 23 HN LEU 23 37.783 18.532 0.477 209 HA LEU 23 HA LEU 23 38.661 21.287 0.219 210 HB2 LEU 23 HB2 LEU 23 37.584 19.586 -1.531 211 HB3 LEU 23 HB1 LEU 23 36.059 20.269 -0.953 212 HG LEU 23 HG LEU 23 36.723 21.530 -2.892 213 HD11 LEU 23 HD11 LEU 23 35.822 22.815 -0.933 214 HD12 LEU 23 HD12 LEU 23 36.841 23.786 -2.018 215 HD13 LEU 23 HD13 LEU 23 37.492 23.211 -0.469 216 HD21 LEU 23 HD21 LEU 23 38.865 22.353 -3.368 217 HD22 LEU 23 HD22 LEU 23 39.275 20.857 -2.505 218 HD23 LEU 23 HD23 LEU 23 39.354 22.420 -1.663 219 H ASP 24 HN ASP 24 38.330 21.745 2.558 220 HA ASP 24 HA ASP 24 35.958 23.350 2.899 221 HB2 ASP 24 HB2 ASP 24 34.915 21.119 3.260 222 HB3 ASP 24 HB1 ASP 24 36.088 20.801 4.562 223 H HIS 25 HN HIS 25 39.009 22.156 3.698 224 HA HIS 25 HA HIS 25 39.445 22.864 6.367 225 HB2 HIS 25 HB2 HIS 25 41.784 23.305 5.713 226 HB3 HIS 25 HB1 HIS 25 41.157 21.848 4.906 227 HD1 HIS 25 HD1 HIS 25 40.737 21.943 2.348 228 HD2 HIS 25 HD2 HIS 25 42.148 25.557 3.969 229 HE1 HIS 25 HE1 HIS 25 41.437 23.432 0.394 230 H LEU 26 HN LEU 26 39.599 24.679 7.546 231 HA LEU 26 HA LEU 26 38.647 27.167 6.371 232 HB2 LEU 26 HB2 LEU 26 39.976 26.880 9.086 233 HB3 LEU 26 HB1 LEU 26 38.716 28.031 8.580 234 HG LEU 26 HG LEU 26 38.400 25.012 8.893 235 HD11 LEU 26 HD11 LEU 26 37.090 27.328 10.384 236 HD12 LEU 26 HD12 LEU 26 38.485 26.405 10.994 237 HD13 LEU 26 HD13 LEU 26 36.921 25.592 10.740 238 HD21 LEU 26 HD21 LEU 26 36.992 25.641 7.060 239 HD22 LEU 26 HD22 LEU 26 36.541 27.182 7.828 240 HD23 LEU 26 HD23 LEU 26 35.923 25.644 8.480 Start of MODEL 57 1 H1 GLY 1 HT1 GLY 1 65.133 3.246 -1.603 2 H2 GLY 1 HT2 GLY 1 66.312 2.702 -2.698 3 H3 GLY 1 HT3 GLY 1 65.501 1.594 -1.695 4 HA2 GLY 1 HA1 GLY 1 64.759 2.688 -4.206 5 HA3 GLY 1 HA2 GLY 1 64.167 1.240 -3.369 6 H ARG 2 HN ARG 2 64.068 4.029 -1.417 7 HA ARG 2 HA ARG 2 61.159 3.981 -1.381 8 HB2 ARG 2 HB2 ARG 2 63.119 5.974 -0.172 9 HB3 ARG 2 HB1 ARG 2 61.389 5.835 0.228 10 HG2 ARG 2 HG2 ARG 2 61.793 3.452 0.921 11 HG3 ARG 2 HG1 ARG 2 63.534 3.707 0.647 12 HD2 ARG 2 HD2 ARG 2 63.492 5.585 2.294 13 HD3 ARG 2 HD1 ARG 2 61.774 5.242 2.610 14 HE ARG 2 HE ARG 2 63.190 2.817 2.997 15 HH11 ARG 2 HH11 ARG 2 65.325 4.351 4.229 16 HH12 ARG 2 HH12 ARG 2 64.771 4.607 5.850 17 HH21 ARG 2 HH21 ARG 2 61.464 3.857 5.121 18 HH22 ARG 2 HH22 ARG 2 62.585 4.329 6.355 19 H ARG 3 HN ARG 3 59.969 4.770 -2.991 20 HA ARG 3 HA ARG 3 60.976 6.788 -4.816 21 HB2 ARG 3 HB2 ARG 3 58.061 6.028 -4.433 22 HB3 ARG 3 HB1 ARG 3 58.868 6.608 -5.908 23 HG2 ARG 3 HG2 ARG 3 59.377 3.941 -4.515 24 HG3 ARG 3 HG1 ARG 3 58.488 4.177 -6.036 25 HD2 ARG 3 HD2 ARG 3 60.656 5.320 -6.907 26 HD3 ARG 3 HD1 ARG 3 61.450 4.570 -5.500 27 HE ARG 3 HE ARG 3 59.925 2.588 -6.919 28 HH11 ARG 3 HH11 ARG 3 62.982 3.147 -6.009 29 HH12 ARG 3 HH12 ARG 3 63.758 2.655 -7.476 30 HH21 ARG 3 HH21 ARG 3 60.816 2.551 -9.309 31 HH22 ARG 3 HH22 ARG 3 62.532 2.317 -9.345 32 H LYS 4 HN LYS 4 58.271 6.838 -2.439 33 HA LYS 4 HA LYS 4 58.901 9.715 -1.886 34 HB2 LYS 4 HB2 LYS 4 56.014 8.871 -2.282 35 HB3 LYS 4 HB1 LYS 4 56.738 10.497 -2.362 36 HG2 LYS 4 HG2 LYS 4 58.016 9.688 -4.425 37 HG3 LYS 4 HG1 LYS 4 56.986 8.237 -4.385 38 HD2 LYS 4 HD2 LYS 4 54.975 9.583 -4.637 39 HD3 LYS 4 HD1 LYS 4 55.913 11.089 -4.490 40 HE2 LYS 4 HE2 LYS 4 56.406 9.026 -6.673 41 HE3 LYS 4 HE1 LYS 4 55.324 10.425 -6.875 42 HZ1 LYS 4 HZ1 LYS 4 58.048 10.385 -7.247 43 HZ2 LYS 4 HZ2 LYS 4 57.842 11.186 -5.763 44 HZ3 LYS 4 HZ3 LYS 4 57.060 11.762 -7.158 45 H ARG 5 HN ARG 5 59.431 7.310 -0.385 46 HA ARG 5 HA ARG 5 59.108 6.456 1.752 47 HB2 ARG 5 HB2 ARG 5 57.844 9.174 2.295 48 HB3 ARG 5 HB1 ARG 5 58.549 8.061 3.494 49 HG2 ARG 5 HG2 ARG 5 60.765 8.301 2.463 50 HG3 ARG 5 HG1 ARG 5 60.083 9.339 1.187 51 HD2 ARG 5 HD2 ARG 5 61.072 10.797 2.847 52 HD3 ARG 5 HD1 ARG 5 59.304 10.919 3.016 53 HE ARG 5 HE ARG 5 59.495 9.906 5.148 54 HH11 ARG 5 HH11 ARG 5 61.889 10.979 6.020 55 HH12 ARG 5 HH12 ARG 5 63.015 9.668 6.124 56 HH21 ARG 5 HH21 ARG 5 61.151 7.557 4.104 57 HH22 ARG 5 HH22 ARG 5 62.598 7.730 5.040 58 H LYS 6 HN LYS 6 57.125 6.844 3.675 59 HA LYS 6 HA LYS 6 54.961 5.262 2.479 60 HB2 LYS 6 HB2 LYS 6 55.315 6.403 5.279 61 HB3 LYS 6 HB1 LYS 6 54.069 5.234 4.789 62 HG2 LYS 6 HG2 LYS 6 55.692 3.544 4.295 63 HG3 LYS 6 HG1 LYS 6 57.040 4.700 4.380 64 HD2 LYS 6 HD2 LYS 6 55.291 4.306 6.833 65 HD3 LYS 6 HD1 LYS 6 56.511 3.075 6.440 66 HE2 LYS 6 HE2 LYS 6 57.249 6.022 6.547 67 HE3 LYS 6 HE1 LYS 6 57.222 5.018 8.015 68 HZ1 LYS 6 HZ1 LYS 6 59.397 5.176 6.731 69 HZ2 LYS 6 HZ2 LYS 6 58.670 4.164 5.575 70 HZ3 LYS 6 HZ3 LYS 6 58.871 3.626 7.174 71 H TRP 7 HN TRP 7 54.483 7.131 0.921 72 HA TRP 7 HA TRP 7 52.061 8.423 1.868 73 HB2 TRP 7 HB2 TRP 7 53.960 9.884 2.806 74 HB3 TRP 7 HB1 TRP 7 54.316 10.322 1.120 75 HD1 TRP 7 HD1 TRP 7 52.841 12.124 0.033 76 HE1 TRP 7 HE1 TRP 7 50.752 13.501 0.743 77 HE3 TRP 7 HE3 TRP 7 51.662 9.632 4.346 78 HZ2 TRP 7 HZ2 TRP 7 48.847 13.493 2.906 79 HZ3 TRP 7 HZ3 TRP 7 49.705 10.334 5.716 80 HH2 TRP 7 HH2 TRP 7 48.298 12.261 5.000 81 H LEU 8 HN LEU 8 53.819 6.975 -0.429 82 HA LEU 8 HA LEU 8 53.631 8.440 -2.788 83 HB2 LEU 8 HB2 LEU 8 52.753 5.584 -3.084 84 HB3 LEU 8 HB1 LEU 8 54.083 6.459 -3.867 85 HG LEU 8 HG LEU 8 55.196 6.379 -1.455 86 HD11 LEU 8 HD11 LEU 8 52.957 5.354 -0.526 87 HD12 LEU 8 HD12 LEU 8 54.497 4.636 -0.002 88 HD13 LEU 8 HD13 LEU 8 53.524 3.841 -1.263 89 HD21 LEU 8 HD21 LEU 8 54.923 3.878 -3.186 90 HD22 LEU 8 HD22 LEU 8 56.228 4.201 -2.020 91 HD23 LEU 8 HD23 LEU 8 56.059 5.216 -3.471 92 H ARG 9 HN ARG 9 51.171 5.894 -2.222 93 HA ARG 9 HA ARG 9 48.984 7.859 -2.674 94 HB2 ARG 9 HB2 ARG 9 49.661 5.564 -4.551 95 HB3 ARG 9 HB1 ARG 9 48.018 6.229 -4.445 96 HG2 ARG 9 HG2 ARG 9 50.517 7.869 -5.085 97 HG3 ARG 9 HG1 ARG 9 49.386 7.237 -6.295 98 HD2 ARG 9 HD2 ARG 9 47.582 8.519 -4.740 99 HD3 ARG 9 HD1 ARG 9 49.014 9.500 -4.344 100 HE ARG 9 HE ARG 9 48.939 10.372 -6.535 101 HH11 ARG 9 HH11 ARG 9 47.689 10.745 -8.407 102 HH12 ARG 9 HH12 ARG 9 46.750 9.443 -9.057 103 HH21 ARG 9 HH21 ARG 9 47.462 7.272 -6.450 104 HH22 ARG 9 HH22 ARG 9 46.621 7.478 -7.950 105 H ARG 10 HN ARG 10 50.195 5.739 -0.703 106 HA ARG 10 HA ARG 10 48.478 3.568 -0.366 107 HB2 ARG 10 HB2 ARG 10 48.827 4.211 2.237 108 HB3 ARG 10 HB1 ARG 10 50.159 3.583 1.240 109 HG2 ARG 10 HG2 ARG 10 51.112 5.731 0.918 110 HG3 ARG 10 HG1 ARG 10 49.626 6.574 1.412 111 HD2 ARG 10 HD2 ARG 10 51.583 6.472 3.124 112 HD3 ARG 10 HD1 ARG 10 49.954 6.054 3.706 113 HE ARG 10 HE ARG 10 51.295 3.681 2.785 114 HH11 ARG 10 HH11 ARG 10 52.939 2.747 4.180 115 HH12 ARG 10 HH12 ARG 10 52.828 3.109 5.871 116 HH21 ARG 10 HH21 ARG 10 50.419 5.570 5.457 117 HH22 ARG 10 HH22 ARG 10 51.401 4.706 6.593 118 H ILE 11 HN ILE 11 47.984 6.213 1.941 119 HA ILE 11 HA ILE 11 45.070 5.767 1.816 120 HB ILE 11 HB ILE 11 46.251 6.156 3.992 121 HG12 ILE 11 HG12 ILE 11 44.317 8.410 3.271 122 HG13 ILE 11 HG11 ILE 11 43.819 6.742 3.632 123 HG21 ILE 11 HG21 ILE 11 46.586 9.031 3.045 124 HG22 ILE 11 HG22 ILE 11 47.892 7.827 2.943 125 HG23 ILE 11 HG23 ILE 11 47.225 8.282 4.527 126 HD11 ILE 11 HD1 ILE 11 45.112 7.027 5.861 127 HD12 ILE 11 HD2 ILE 11 43.578 7.910 5.692 128 HD13 ILE 11 HD3 ILE 11 45.122 8.767 5.486 129 H GLY 12 HN GLY 12 47.439 7.881 0.431 130 HA2 GLY 12 HA1 GLY 12 45.948 10.237 0.040 131 HA3 GLY 12 HA2 GLY 12 47.174 9.617 -1.085 132 H LYS 13 HN LYS 13 45.894 7.174 -1.736 133 HA LYS 13 HA LYS 13 44.378 7.817 -3.976 134 HB2 LYS 13 HB2 LYS 13 45.202 5.548 -3.419 135 HB3 LYS 13 HB1 LYS 13 43.985 5.438 -2.124 136 HG2 LYS 13 HG2 LYS 13 42.168 5.528 -3.705 137 HG3 LYS 13 HG1 LYS 13 43.269 5.958 -5.035 138 HD2 LYS 13 HD2 LYS 13 42.618 3.548 -5.101 139 HD3 LYS 13 HD1 LYS 13 44.370 3.766 -4.884 140 HE2 LYS 13 HE2 LYS 13 43.162 2.031 -3.359 141 HE3 LYS 13 HE1 LYS 13 44.283 3.173 -2.584 142 HZ1 LYS 13 HZ1 LYS 13 41.820 2.788 -1.724 143 HZ2 LYS 13 HZ2 LYS 13 41.492 4.010 -2.858 144 HZ3 LYS 13 HZ3 LYS 13 42.595 4.291 -1.597 145 H GLY 14 HN GLY 14 43.489 8.063 -0.657 146 HA2 GLY 14 HA1 GLY 14 40.575 8.222 -1.283 147 HA3 GLY 14 HA2 GLY 14 41.311 8.089 0.324 148 H VAL 15 HN VAL 15 43.224 10.149 0.267 149 HA VAL 15 HA VAL 15 41.338 12.498 0.263 150 HB VAL 15 HB VAL 15 43.153 13.611 1.635 151 HG11 VAL 15 HG11 VAL 15 41.200 12.601 2.708 152 HG12 VAL 15 HG12 VAL 15 42.649 12.247 3.680 153 HG13 VAL 15 HG13 VAL 15 41.952 10.989 2.631 154 HG21 VAL 15 HG21 VAL 15 44.837 12.093 2.671 155 HG22 VAL 15 HG22 VAL 15 45.056 12.228 0.912 156 HG23 VAL 15 HG23 VAL 15 44.287 10.780 1.606 157 H LYS 16 HN LYS 16 44.562 11.488 -0.974 158 HA LYS 16 HA LYS 16 45.162 14.039 -2.152 159 HB2 LYS 16 HB2 LYS 16 46.088 11.212 -2.756 160 HB3 LYS 16 HB1 LYS 16 46.676 12.604 -3.685 161 HG2 LYS 16 HG2 LYS 16 46.790 12.668 -0.647 162 HG3 LYS 16 HG1 LYS 16 48.029 11.777 -1.556 163 HD2 LYS 16 HD2 LYS 16 48.460 13.885 -2.899 164 HD3 LYS 16 HD1 LYS 16 47.360 14.746 -1.795 165 HE2 LYS 16 HE2 LYS 16 49.994 13.383 -1.133 166 HE3 LYS 16 HE1 LYS 16 49.555 15.095 -0.915 167 HZ1 LYS 16 HZ1 LYS 16 49.159 14.383 1.176 168 HZ2 LYS 16 HZ2 LYS 16 48.880 12.771 0.716 169 HZ3 LYS 16 HZ3 LYS 16 47.657 13.936 0.526 170 H ILE 17 HN ILE 17 43.428 11.164 -3.358 171 HA ILE 17 HA ILE 17 43.215 11.808 -6.060 172 HB ILE 17 HB ILE 17 42.284 9.733 -5.136 173 HG12 ILE 17 HG12 ILE 17 40.166 9.632 -6.355 174 HG13 ILE 17 HG11 ILE 17 40.016 11.401 -6.337 175 HG21 ILE 17 HG21 ILE 17 41.444 10.875 -3.019 176 HG22 ILE 17 HG22 ILE 17 40.327 9.689 -3.737 177 HG23 ILE 17 HG23 ILE 17 40.045 11.430 -3.968 178 HD11 ILE 17 HD1 ILE 17 41.763 11.690 -7.906 179 HD12 ILE 17 HD2 ILE 17 40.943 10.228 -8.499 180 HD13 ILE 17 HD3 ILE 17 42.458 10.084 -7.576 181 H ILE 18 HN ILE 18 41.491 13.263 -3.315 182 HA ILE 18 HA ILE 18 40.849 15.595 -4.927 183 HB ILE 18 HB ILE 18 39.063 13.931 -5.649 184 HG12 ILE 18 HG12 ILE 18 37.120 15.629 -5.061 185 HG13 ILE 18 HG11 ILE 18 38.410 16.590 -4.310 186 HG21 ILE 18 HG21 ILE 18 37.519 14.340 -3.109 187 HG22 ILE 18 HG22 ILE 18 38.906 13.239 -2.975 188 HG23 ILE 18 HG23 ILE 18 37.625 12.913 -4.162 189 HD11 ILE 18 HD1 ILE 18 38.592 15.582 -7.184 190 HD12 ILE 18 HD2 ILE 18 39.565 16.849 -6.401 191 HD13 ILE 18 HD3 ILE 18 37.849 17.137 -6.755 192 H GLY 19 HN GLY 19 42.352 15.711 -2.828 193 HA2 GLY 19 HA1 GLY 19 40.820 17.301 -0.957 194 HA3 GLY 19 HA2 GLY 19 41.284 15.741 -0.247 195 H GLY 20 HN GLY 20 43.679 16.088 -2.323 196 HA2 GLY 20 HA1 GLY 20 45.711 16.599 -0.518 197 HA3 GLY 20 HA2 GLY 20 45.827 16.975 -2.248 198 H ALA 21 HN ALA 21 47.262 18.451 -0.444 199 HA ALA 21 HA ALA 21 45.792 20.840 0.363 200 HB1 ALA 21 HB1 ALA 21 48.791 20.523 0.048 201 HB2 ALA 21 HB2 ALA 21 47.886 19.924 1.459 202 HB3 ALA 21 HB3 ALA 21 47.915 21.666 1.092 203 H ALA 22 HN ALA 22 46.009 19.848 -2.580 204 HA ALA 22 HA ALA 22 46.153 22.553 -3.710 205 HB1 ALA 22 HB1 ALA 22 48.521 22.054 -3.737 206 HB2 ALA 22 HB2 ALA 22 47.896 21.923 -5.399 207 HB3 ALA 22 HB3 ALA 22 48.219 20.451 -4.450 208 H LEU 23 HN LEU 23 45.840 19.051 -4.065 209 HA LEU 23 HA LEU 23 44.602 19.219 -6.711 210 HB2 LEU 23 HB2 LEU 23 44.335 16.885 -4.787 211 HB3 LEU 23 HB1 LEU 23 44.394 16.867 -6.566 212 HG LEU 23 HG LEU 23 46.689 17.541 -4.671 213 HD11 LEU 23 HD11 LEU 23 46.198 15.137 -4.855 214 HD12 LEU 23 HD12 LEU 23 47.710 15.517 -5.713 215 HD13 LEU 23 HD13 LEU 23 46.208 15.253 -6.631 216 HD21 LEU 23 HD21 LEU 23 46.432 17.676 -7.706 217 HD22 LEU 23 HD22 LEU 23 48.007 17.565 -6.880 218 HD23 LEU 23 HD23 LEU 23 46.947 18.964 -6.591 219 H ASP 24 HN ASP 24 43.546 20.649 -4.148 220 HA ASP 24 HA ASP 24 40.720 20.305 -4.849 221 HB2 ASP 24 HB2 ASP 24 41.135 18.401 -3.255 222 HB3 ASP 24 HB1 ASP 24 41.602 19.598 -2.022 223 H HIS 25 HN HIS 25 43.326 22.079 -3.943 224 HA HIS 25 HA HIS 25 43.608 24.222 -3.098 225 HB2 HIS 25 HB2 HIS 25 40.710 24.469 -4.001 226 HB3 HIS 25 HB1 HIS 25 41.789 25.832 -3.610 227 HD1 HIS 25 HD1 HIS 25 44.400 25.021 -4.936 228 HD2 HIS 25 HD2 HIS 25 40.665 24.385 -6.763 229 HE1 HIS 25 HE1 HIS 25 44.799 24.870 -7.455 230 H LEU 26 HN LEU 26 42.565 22.056 -1.313 231 HA LEU 26 HA LEU 26 41.723 21.843 0.837 232 HB2 LEU 26 HB2 LEU 26 43.657 23.500 1.114 233 HB3 LEU 26 HB1 LEU 26 42.430 24.784 1.128 234 HG LEU 26 HG LEU 26 41.283 23.298 3.013 235 HD11 LEU 26 HD11 LEU 26 42.734 21.336 2.869 236 HD12 LEU 26 HD12 LEU 26 43.031 22.147 4.421 237 HD13 LEU 26 HD13 LEU 26 44.185 22.344 3.083 238 HD21 LEU 26 HD21 LEU 26 42.222 25.557 3.375 239 HD22 LEU 26 HD22 LEU 26 43.854 24.862 3.522 240 HD23 LEU 26 HD23 LEU 26 42.612 24.485 4.740 Start of MODEL 58 1 H1 GLY 1 HT1 GLY 1 56.764 2.067 -4.873 2 H2 GLY 1 HT2 GLY 1 56.151 0.515 -5.190 3 H3 GLY 1 HT3 GLY 1 57.329 0.740 -3.986 4 HA2 GLY 1 HA1 GLY 1 54.855 2.232 -3.762 5 HA3 GLY 1 HA2 GLY 1 54.807 0.489 -3.439 6 H ARG 2 HN ARG 2 57.853 1.954 -2.878 7 HA ARG 2 HA ARG 2 57.263 2.564 -0.022 8 HB2 ARG 2 HB2 ARG 2 59.155 0.364 -0.945 9 HB3 ARG 2 HB1 ARG 2 59.192 1.080 0.683 10 HG2 ARG 2 HG2 ARG 2 56.752 0.461 0.932 11 HG3 ARG 2 HG1 ARG 2 56.870 -0.408 -0.617 12 HD2 ARG 2 HD2 ARG 2 58.670 -0.957 1.780 13 HD3 ARG 2 HD1 ARG 2 57.195 -1.882 1.409 14 HE ARG 2 HE ARG 2 58.951 -1.786 -0.889 15 HH11 ARG 2 HH11 ARG 2 60.878 -3.184 -0.728 16 HH12 ARG 2 HH12 ARG 2 60.674 -4.650 0.171 17 HH21 ARG 2 HH21 ARG 2 57.637 -3.697 1.545 18 HH22 ARG 2 HH22 ARG 2 58.840 -4.940 1.457 19 H ARG 3 HN ARG 3 58.928 3.009 -2.943 20 HA ARG 3 HA ARG 3 61.415 4.062 -2.012 21 HB2 ARG 3 HB2 ARG 3 61.236 5.418 -4.254 22 HB3 ARG 3 HB1 ARG 3 61.335 3.643 -4.324 23 HG2 ARG 3 HG2 ARG 3 58.980 3.419 -4.692 24 HG3 ARG 3 HG1 ARG 3 58.675 5.117 -4.260 25 HD2 ARG 3 HD2 ARG 3 60.283 4.163 -6.673 26 HD3 ARG 3 HD1 ARG 3 58.609 4.762 -6.720 27 HE ARG 3 HE ARG 3 59.455 6.985 -6.025 28 HH11 ARG 3 HH11 ARG 3 61.582 7.912 -5.249 29 HH12 ARG 3 HH12 ARG 3 62.914 7.628 -6.319 30 HH21 ARG 3 HH21 ARG 3 61.265 5.188 -8.150 31 HH22 ARG 3 HH22 ARG 3 62.735 6.085 -7.962 32 H LYS 4 HN LYS 4 58.190 5.553 -2.405 33 HA LYS 4 HA LYS 4 59.249 8.213 -1.637 34 HB2 LYS 4 HB2 LYS 4 56.402 7.218 -2.071 35 HB3 LYS 4 HB1 LYS 4 56.869 8.908 -1.768 36 HG2 LYS 4 HG2 LYS 4 58.437 8.653 -3.821 37 HG3 LYS 4 HG1 LYS 4 57.522 7.169 -4.174 38 HD2 LYS 4 HD2 LYS 4 55.410 8.488 -4.178 39 HD3 LYS 4 HD1 LYS 4 56.351 9.970 -3.887 40 HE2 LYS 4 HE2 LYS 4 55.967 9.860 -6.263 41 HE3 LYS 4 HE1 LYS 4 57.669 9.411 -6.003 42 HZ1 LYS 4 HZ1 LYS 4 56.714 7.029 -5.885 43 HZ2 LYS 4 HZ2 LYS 4 56.908 7.762 -7.405 44 HZ3 LYS 4 HZ3 LYS 4 55.370 7.686 -6.685 45 H ARG 5 HN ARG 5 59.670 6.023 0.232 46 HA ARG 5 HA ARG 5 59.417 5.569 2.493 47 HB2 ARG 5 HB2 ARG 5 58.626 8.506 2.466 48 HB3 ARG 5 HB1 ARG 5 58.929 7.566 3.947 49 HG2 ARG 5 HG2 ARG 5 61.220 7.149 3.311 50 HG3 ARG 5 HG1 ARG 5 60.950 7.814 1.681 51 HD2 ARG 5 HD2 ARG 5 60.454 10.039 2.690 52 HD3 ARG 5 HD1 ARG 5 60.792 9.367 4.303 53 HE ARG 5 HE ARG 5 62.785 10.165 2.346 54 HH11 ARG 5 HH11 ARG 5 62.727 9.777 5.490 55 HH12 ARG 5 HH12 ARG 5 64.051 8.674 5.651 56 HH21 ARG 5 HH21 ARG 5 64.197 7.938 2.266 57 HH22 ARG 5 HH22 ARG 5 64.885 7.633 3.825 58 H LYS 6 HN LYS 6 56.862 8.014 2.540 59 HA LYS 6 HA LYS 6 54.747 5.908 2.596 60 HB2 LYS 6 HB2 LYS 6 55.118 7.939 4.838 61 HB3 LYS 6 HB1 LYS 6 53.829 6.718 4.707 62 HG2 LYS 6 HG2 LYS 6 55.644 4.940 4.683 63 HG3 LYS 6 HG1 LYS 6 56.814 6.226 5.072 64 HD2 LYS 6 HD2 LYS 6 55.403 6.805 7.086 65 HD3 LYS 6 HD1 LYS 6 54.402 5.375 6.732 66 HE2 LYS 6 HE2 LYS 6 56.344 3.903 6.973 67 HE3 LYS 6 HE1 LYS 6 57.414 5.306 7.204 68 HZ1 LYS 6 HZ1 LYS 6 56.936 4.573 9.348 69 HZ2 LYS 6 HZ2 LYS 6 55.299 4.274 9.005 70 HZ3 LYS 6 HZ3 LYS 6 55.867 5.870 9.135 71 H TRP 7 HN TRP 7 54.837 7.302 0.459 72 HA TRP 7 HA TRP 7 52.578 9.192 0.705 73 HB2 TRP 7 HB2 TRP 7 55.305 10.084 -0.316 74 HB3 TRP 7 HB1 TRP 7 53.793 10.999 -0.524 75 HD1 TRP 7 HD1 TRP 7 56.411 10.049 2.053 76 HE1 TRP 7 HE1 TRP 7 56.011 11.369 4.258 77 HE3 TRP 7 HE3 TRP 7 51.858 12.113 0.946 78 HZ2 TRP 7 HZ2 TRP 7 53.977 13.083 5.360 79 HZ3 TRP 7 HZ3 TRP 7 50.707 13.588 2.587 80 HH2 TRP 7 HH2 TRP 7 51.761 14.074 4.792 81 H LEU 8 HN LEU 8 53.630 6.576 -0.628 82 HA LEU 8 HA LEU 8 53.537 7.211 -3.475 83 HB2 LEU 8 HB2 LEU 8 53.258 4.614 -3.643 84 HB3 LEU 8 HB1 LEU 8 54.793 5.274 -3.062 85 HG LEU 8 HG LEU 8 53.828 3.291 -1.765 86 HD11 LEU 8 HD11 LEU 8 55.247 4.006 -0.129 87 HD12 LEU 8 HD12 LEU 8 54.034 5.159 0.462 88 HD13 LEU 8 HD13 LEU 8 55.189 5.651 -0.791 89 HD21 LEU 8 HD21 LEU 8 51.459 4.143 -1.822 90 HD22 LEU 8 HD22 LEU 8 51.921 5.387 -0.636 91 HD23 LEU 8 HD23 LEU 8 52.020 3.666 -0.207 92 H ARG 9 HN ARG 9 51.291 8.225 -1.939 93 HA ARG 9 HA ARG 9 49.024 8.473 -2.237 94 HB2 ARG 9 HB2 ARG 9 49.176 6.537 -4.574 95 HB3 ARG 9 HB1 ARG 9 47.996 7.834 -4.289 96 HG2 ARG 9 HG2 ARG 9 50.964 8.182 -4.904 97 HG3 ARG 9 HG1 ARG 9 49.600 8.583 -5.969 98 HD2 ARG 9 HD2 ARG 9 48.807 10.143 -4.038 99 HD3 ARG 9 HD1 ARG 9 50.458 9.951 -3.398 100 HE ARG 9 HE ARG 9 51.178 11.411 -5.095 101 HH11 ARG 9 HH11 ARG 9 51.264 11.602 -7.459 102 HH12 ARG 9 HH12 ARG 9 49.740 11.742 -8.272 103 HH21 ARG 9 HH21 ARG 9 47.876 10.860 -5.483 104 HH22 ARG 9 HH22 ARG 9 47.822 11.322 -7.152 105 H ARG 10 HN ARG 10 50.053 6.505 -0.446 106 HA ARG 10 HA ARG 10 48.802 3.981 -0.592 107 HB2 ARG 10 HB2 ARG 10 48.669 4.392 2.074 108 HB3 ARG 10 HB1 ARG 10 50.220 4.125 1.250 109 HG2 ARG 10 HG2 ARG 10 50.766 6.438 1.244 110 HG3 ARG 10 HG1 ARG 10 49.094 6.930 1.591 111 HD2 ARG 10 HD2 ARG 10 49.274 5.852 3.842 112 HD3 ARG 10 HD1 ARG 10 50.970 5.448 3.489 113 HE ARG 10 HE ARG 10 51.521 7.701 3.939 114 HH11 ARG 10 HH11 ARG 10 50.093 9.282 2.080 115 HH12 ARG 10 HH12 ARG 10 48.849 10.063 2.999 116 HH21 ARG 10 HH21 ARG 10 49.078 7.865 5.670 117 HH22 ARG 10 HH22 ARG 10 48.275 9.260 5.032 118 H ILE 11 HN ILE 11 47.528 6.130 1.887 119 HA ILE 11 HA ILE 11 44.787 5.309 1.157 120 HB ILE 11 HB ILE 11 45.424 5.327 3.538 121 HG12 ILE 11 HG12 ILE 11 43.599 6.663 4.455 122 HG13 ILE 11 HG11 ILE 11 43.533 7.668 2.994 123 HG21 ILE 11 HG21 ILE 11 47.157 7.099 3.371 124 HG22 ILE 11 HG22 ILE 11 45.999 7.431 4.679 125 HG23 ILE 11 HG23 ILE 11 45.880 8.316 3.140 126 HD11 ILE 11 HD1 ILE 11 42.581 5.934 1.695 127 HD12 ILE 11 HD2 ILE 11 41.798 5.709 3.275 128 HD13 ILE 11 HD3 ILE 11 43.154 4.659 2.799 129 H GLY 12 HN GLY 12 46.957 7.940 0.543 130 HA2 GLY 12 HA1 GLY 12 45.161 10.127 0.396 131 HA3 GLY 12 HA2 GLY 12 46.614 9.928 -0.605 132 H LYS 13 HN LYS 13 45.869 7.560 -1.945 133 HA LYS 13 HA LYS 13 44.525 8.533 -4.196 134 HB2 LYS 13 HB2 LYS 13 45.788 6.439 -4.192 135 HB3 LYS 13 HB1 LYS 13 44.603 5.701 -3.088 136 HG2 LYS 13 HG2 LYS 13 42.877 5.739 -4.747 137 HG3 LYS 13 HG1 LYS 13 43.810 6.828 -5.801 138 HD2 LYS 13 HD2 LYS 13 43.839 4.436 -6.579 139 HD3 LYS 13 HD1 LYS 13 45.460 5.079 -6.232 140 HE2 LYS 13 HE2 LYS 13 45.625 3.879 -4.183 141 HE3 LYS 13 HE1 LYS 13 43.874 3.564 -4.124 142 HZ1 LYS 13 HZ1 LYS 13 45.719 1.840 -5.062 143 HZ2 LYS 13 HZ2 LYS 13 45.198 2.577 -6.501 144 HZ3 LYS 13 HZ3 LYS 13 44.075 1.812 -5.480 145 H GLY 14 HN GLY 14 43.267 7.835 -1.099 146 HA2 GLY 14 HA1 GLY 14 40.474 7.497 -2.130 147 HA3 GLY 14 HA2 GLY 14 41.043 7.149 -0.488 148 H VAL 15 HN VAL 15 42.515 9.590 -0.057 149 HA VAL 15 HA VAL 15 40.174 11.491 0.158 150 HB VAL 15 HB VAL 15 41.505 12.494 2.076 151 HG11 VAL 15 HG11 VAL 15 40.887 10.677 3.659 152 HG12 VAL 15 HG12 VAL 15 40.685 9.562 2.285 153 HG13 VAL 15 HG13 VAL 15 39.607 10.969 2.457 154 HG21 VAL 15 HG21 VAL 15 43.146 9.956 1.628 155 HG22 VAL 15 HG22 VAL 15 43.216 10.948 3.102 156 HG23 VAL 15 HG23 VAL 15 43.730 11.636 1.546 157 H LYS 16 HN LYS 16 43.700 11.271 -0.469 158 HA LYS 16 HA LYS 16 44.198 14.004 -0.902 159 HB2 LYS 16 HB2 LYS 16 45.926 12.194 -0.898 160 HB3 LYS 16 HB1 LYS 16 45.367 11.705 -2.517 161 HG2 LYS 16 HG2 LYS 16 45.932 13.888 -3.438 162 HG3 LYS 16 HG1 LYS 16 46.325 14.515 -1.819 163 HD2 LYS 16 HD2 LYS 16 48.200 12.962 -1.619 164 HD3 LYS 16 HD1 LYS 16 47.767 12.190 -3.164 165 HE2 LYS 16 HE2 LYS 16 48.258 14.218 -4.397 166 HE3 LYS 16 HE1 LYS 16 48.467 15.143 -2.891 167 HZ1 LYS 16 HZ1 LYS 16 50.328 13.637 -2.338 168 HZ2 LYS 16 HZ2 LYS 16 50.606 14.543 -3.748 169 HZ3 LYS 16 HZ3 LYS 16 50.171 12.903 -3.860 170 H ILE 17 HN ILE 17 43.170 11.539 -3.324 171 HA ILE 17 HA ILE 17 43.078 13.095 -5.613 172 HB ILE 17 HB ILE 17 40.885 11.762 -6.175 173 HG12 ILE 17 HG12 ILE 17 41.704 10.172 -3.701 174 HG13 ILE 17 HG11 ILE 17 40.487 11.457 -3.585 175 HG21 ILE 17 HG21 ILE 17 43.415 10.266 -5.347 176 HG22 ILE 17 HG22 ILE 17 43.185 11.119 -6.890 177 HG23 ILE 17 HG23 ILE 17 42.194 9.695 -6.507 178 HD11 ILE 17 HD1 ILE 17 39.214 10.297 -5.465 179 HD12 ILE 17 HD2 ILE 17 39.299 9.391 -3.938 180 HD13 ILE 17 HD3 ILE 17 40.350 8.938 -5.296 181 H ILE 18 HN ILE 18 40.705 13.135 -2.947 182 HA ILE 18 HA ILE 18 39.997 15.863 -3.452 183 HB ILE 18 HB ILE 18 38.814 15.058 -5.419 184 HG12 ILE 18 HG12 ILE 18 36.769 15.526 -3.200 185 HG13 ILE 18 HG11 ILE 18 37.767 16.808 -3.922 186 HG21 ILE 18 HG21 ILE 18 38.572 12.645 -4.341 187 HG22 ILE 18 HG22 ILE 18 37.358 13.224 -5.502 188 HG23 ILE 18 HG23 ILE 18 37.010 13.267 -3.763 189 HD11 ILE 18 HD1 ILE 18 35.791 15.008 -5.385 190 HD12 ILE 18 HD2 ILE 18 36.867 16.185 -6.177 191 HD13 ILE 18 HD3 ILE 18 35.603 16.746 -5.056 192 H GLY 19 HN GLY 19 40.464 15.849 -1.244 193 HA2 GLY 19 HA1 GLY 19 38.295 15.813 0.505 194 HA3 GLY 19 HA2 GLY 19 38.990 14.183 0.611 195 H GLY 20 HN GLY 20 41.658 15.529 -0.172 196 HA2 GLY 20 HA1 GLY 20 42.275 16.987 2.352 197 HA3 GLY 20 HA2 GLY 20 43.117 15.449 2.063 198 H ALA 21 HN ALA 21 44.949 17.085 2.281 199 HA ALA 21 HA ALA 21 46.645 18.301 1.271 200 HB1 ALA 21 HB1 ALA 21 46.959 16.300 -0.032 201 HB2 ALA 21 HB2 ALA 21 47.114 17.696 -1.126 202 HB3 ALA 21 HB3 ALA 21 45.617 16.734 -1.116 203 H ALA 22 HN ALA 22 44.740 18.268 -1.712 204 HA ALA 22 HA ALA 22 44.973 21.113 -2.028 205 HB1 ALA 22 HB1 ALA 22 43.016 19.180 -3.318 206 HB2 ALA 22 HB2 ALA 22 44.657 19.543 -3.906 207 HB3 ALA 22 HB3 ALA 22 43.411 20.815 -3.897 208 H LEU 23 HN LEU 23 42.667 19.048 -0.404 209 HA LEU 23 HA LEU 23 40.614 21.160 -0.209 210 HB2 LEU 23 HB2 LEU 23 40.913 18.344 0.879 211 HB3 LEU 23 HB1 LEU 23 39.594 19.401 1.412 212 HG LEU 23 HG LEU 23 39.069 17.803 -0.526 213 HD11 LEU 23 HD11 LEU 23 37.824 20.013 0.052 214 HD12 LEU 23 HD12 LEU 23 37.574 19.315 -1.561 215 HD13 LEU 23 HD13 LEU 23 38.663 20.701 -1.357 216 HD21 LEU 23 HD21 LEU 23 39.862 18.332 -2.739 217 HD22 LEU 23 HD22 LEU 23 41.290 18.216 -1.685 218 HD23 LEU 23 HD23 LEU 23 40.669 19.812 -2.172 219 H ASP 24 HN ASP 24 43.310 21.744 0.800 220 HA ASP 24 HA ASP 24 42.494 22.822 3.387 221 HB2 ASP 24 HB2 ASP 24 44.175 21.695 4.756 222 HB3 ASP 24 HB1 ASP 24 43.090 20.486 4.027 223 H HIS 25 HN HIS 25 44.622 22.441 0.705 224 HA HIS 25 HA HIS 25 46.325 23.772 -0.118 225 HB2 HIS 25 HB2 HIS 25 44.554 25.531 0.223 226 HB3 HIS 25 HB1 HIS 25 45.287 25.892 1.803 227 HD1 HIS 25 HD1 HIS 25 48.047 26.365 1.620 228 HD2 HIS 25 HD2 HIS 25 45.670 27.055 -1.781 229 HE1 HIS 25 HE1 HIS 25 49.383 27.876 0.052 230 H LEU 26 HN LEU 26 46.243 25.187 3.173 231 HA LEU 26 HA LEU 26 49.021 25.266 3.540 232 HB2 LEU 26 HB2 LEU 26 47.023 24.658 5.751 233 HB3 LEU 26 HB1 LEU 26 48.588 25.488 5.900 234 HG LEU 26 HG LEU 26 46.148 26.510 4.376 235 HD11 LEU 26 HD11 LEU 26 47.516 27.502 6.916 236 HD12 LEU 26 HD12 LEU 26 45.975 26.612 6.857 237 HD13 LEU 26 HD13 LEU 26 46.095 28.234 6.134 238 HD21 LEU 26 HD21 LEU 26 49.001 27.533 4.662 239 HD22 LEU 26 HD22 LEU 26 47.653 28.651 4.343 240 HD23 LEU 26 HD23 LEU 26 48.026 27.357 3.185 Start of MODEL 59 1 H1 GLY 1 HT1 GLY 1 54.780 6.157 -5.602 2 H2 GLY 1 HT2 GLY 1 54.107 4.722 -6.216 3 H3 GLY 1 HT3 GLY 1 54.708 5.906 -7.277 4 HA2 GLY 1 HA1 GLY 1 56.034 3.743 -6.483 5 HA3 GLY 1 HA2 GLY 1 56.768 5.231 -7.114 6 H ARG 2 HN ARG 2 58.020 3.405 -5.318 7 HA ARG 2 HA ARG 2 57.841 4.504 -2.611 8 HB2 ARG 2 HB2 ARG 2 59.800 3.046 -2.172 9 HB3 ARG 2 HB1 ARG 2 58.480 2.165 -2.975 10 HG2 ARG 2 HG2 ARG 2 59.620 2.506 -5.172 11 HG3 ARG 2 HG1 ARG 2 60.966 3.309 -4.328 12 HD2 ARG 2 HD2 ARG 2 60.023 0.454 -3.818 13 HD3 ARG 2 HD1 ARG 2 61.461 0.911 -4.762 14 HE ARG 2 HE ARG 2 61.567 2.099 -2.132 15 HH11 ARG 2 HH11 ARG 2 62.710 -0.340 -4.178 16 HH12 ARG 2 HH12 ARG 2 63.452 -1.273 -2.922 17 HH21 ARG 2 HH21 ARG 2 62.173 0.675 -0.354 18 HH22 ARG 2 HH22 ARG 2 63.148 -0.698 -0.758 19 H ARG 3 HN ARG 3 58.453 6.377 -4.877 20 HA ARG 3 HA ARG 3 61.151 7.165 -4.968 21 HB2 ARG 3 HB2 ARG 3 58.770 9.052 -4.784 22 HB3 ARG 3 HB1 ARG 3 60.351 9.391 -5.524 23 HG2 ARG 3 HG2 ARG 3 58.375 7.261 -6.463 24 HG3 ARG 3 HG1 ARG 3 58.645 8.837 -7.241 25 HD2 ARG 3 HD2 ARG 3 60.037 7.448 -8.522 26 HD3 ARG 3 HD1 ARG 3 61.187 8.038 -7.299 27 HE ARG 3 HE ARG 3 59.841 5.570 -6.494 28 HH11 ARG 3 HH11 ARG 3 61.879 4.622 -5.514 29 HH12 ARG 3 HH12 ARG 3 63.115 4.253 -6.672 30 HH21 ARG 3 HH21 ARG 3 61.660 6.114 -9.210 31 HH22 ARG 3 HH22 ARG 3 62.990 5.097 -8.765 32 H LYS 4 HN LYS 4 58.922 7.204 -2.348 33 HA LYS 4 HA LYS 4 60.997 8.012 -0.485 34 HB2 LYS 4 HB2 LYS 4 59.920 10.040 0.369 35 HB3 LYS 4 HB1 LYS 4 60.338 10.246 -1.349 36 HG2 LYS 4 HG2 LYS 4 57.913 9.427 -1.835 37 HG3 LYS 4 HG1 LYS 4 57.610 9.741 -0.108 38 HD2 LYS 4 HD2 LYS 4 58.680 11.778 -2.112 39 HD3 LYS 4 HD1 LYS 4 57.006 11.698 -1.520 40 HE2 LYS 4 HE2 LYS 4 58.013 13.340 -0.137 41 HE3 LYS 4 HE1 LYS 4 58.061 11.870 0.864 42 HZ1 LYS 4 HZ1 LYS 4 60.272 11.890 0.840 43 HZ2 LYS 4 HZ2 LYS 4 60.197 13.442 0.153 44 HZ3 LYS 4 HZ3 LYS 4 60.345 12.076 -0.845 45 H ARG 5 HN ARG 5 59.846 8.393 1.785 46 HA ARG 5 HA ARG 5 58.201 5.973 2.155 47 HB2 ARG 5 HB2 ARG 5 59.271 8.040 4.114 48 HB3 ARG 5 HB1 ARG 5 58.416 6.547 4.568 49 HG2 ARG 5 HG2 ARG 5 60.176 5.262 3.239 50 HG3 ARG 5 HG1 ARG 5 61.079 6.791 3.109 51 HD2 ARG 5 HD2 ARG 5 60.197 5.528 5.740 52 HD3 ARG 5 HD1 ARG 5 61.823 5.359 5.037 53 HE ARG 5 HE ARG 5 61.107 8.148 5.238 54 HH11 ARG 5 HH11 ARG 5 62.479 9.285 6.657 55 HH12 ARG 5 HH12 ARG 5 63.047 8.492 8.088 56 HH21 ARG 5 HH21 ARG 5 61.655 5.425 7.261 57 HH22 ARG 5 HH22 ARG 5 62.582 6.306 8.429 58 H LYS 6 HN LYS 6 56.113 5.832 2.455 59 HA LYS 6 HA LYS 6 53.890 6.516 2.373 60 HB2 LYS 6 HB2 LYS 6 54.693 8.482 4.540 61 HB3 LYS 6 HB1 LYS 6 53.193 7.530 4.395 62 HG2 LYS 6 HG2 LYS 6 54.555 5.435 4.673 63 HG3 LYS 6 HG1 LYS 6 55.990 6.450 4.957 64 HD2 LYS 6 HD2 LYS 6 54.668 7.576 6.839 65 HD3 LYS 6 HD1 LYS 6 53.468 6.273 6.649 66 HE2 LYS 6 HE2 LYS 6 55.351 4.606 6.954 67 HE3 LYS 6 HE1 LYS 6 56.416 5.972 7.358 68 HZ1 LYS 6 HZ1 LYS 6 53.845 5.501 8.764 69 HZ2 LYS 6 HZ2 LYS 6 55.149 6.476 9.249 70 HZ3 LYS 6 HZ3 LYS 6 55.292 4.784 9.276 71 H TRP 7 HN TRP 7 53.648 7.474 0.371 72 HA TRP 7 HA TRP 7 52.808 10.217 0.390 73 HB2 TRP 7 HB2 TRP 7 55.261 10.663 0.441 74 HB3 TRP 7 HB1 TRP 7 55.440 9.713 -1.053 75 HD1 TRP 7 HD1 TRP 7 54.721 10.808 -3.297 76 HE1 TRP 7 HE1 TRP 7 53.953 13.189 -4.004 77 HE3 TRP 7 HE3 TRP 7 53.878 12.797 1.344 78 HZ2 TRP 7 HZ2 TRP 7 53.096 15.610 -2.705 79 HZ3 TRP 7 HZ3 TRP 7 53.086 15.145 1.586 80 HH2 TRP 7 HH2 TRP 7 52.694 16.553 -0.432 81 H LEU 8 HN LEU 8 54.019 7.425 -1.391 82 HA LEU 8 HA LEU 8 53.276 7.783 -3.984 83 HB2 LEU 8 HB2 LEU 8 52.405 5.337 -3.912 84 HB3 LEU 8 HB1 LEU 8 54.087 5.640 -3.431 85 HG LEU 8 HG LEU 8 52.109 5.835 -1.174 86 HD11 LEU 8 HD11 LEU 8 52.652 3.178 -2.570 87 HD12 LEU 8 HD12 LEU 8 51.071 3.959 -2.331 88 HD13 LEU 8 HD13 LEU 8 51.978 3.336 -0.932 89 HD21 LEU 8 HD21 LEU 8 54.594 4.083 -1.349 90 HD22 LEU 8 HD22 LEU 8 53.865 4.847 0.083 91 HD23 LEU 8 HD23 LEU 8 54.724 5.839 -1.115 92 H ARG 9 HN ARG 9 50.843 5.759 -2.480 93 HA ARG 9 HA ARG 9 48.708 7.719 -2.562 94 HB2 ARG 9 HB2 ARG 9 49.333 7.182 -5.062 95 HB3 ARG 9 HB1 ARG 9 48.502 5.645 -4.763 96 HG2 ARG 9 HG2 ARG 9 46.820 7.102 -5.637 97 HG3 ARG 9 HG1 ARG 9 46.524 7.029 -3.889 98 HD2 ARG 9 HD2 ARG 9 47.217 9.232 -3.536 99 HD3 ARG 9 HD1 ARG 9 48.307 9.239 -4.943 100 HE ARG 9 HE ARG 9 45.460 9.901 -4.964 101 HH11 ARG 9 HH11 ARG 9 48.231 10.338 -6.650 102 HH12 ARG 9 HH12 ARG 9 47.569 10.075 -8.229 103 HH21 ARG 9 HH21 ARG 9 44.550 8.845 -7.048 104 HH22 ARG 9 HH22 ARG 9 45.485 9.229 -8.455 105 H ARG 10 HN ARG 10 49.798 5.691 -0.792 106 HA ARG 10 HA ARG 10 48.256 3.308 -0.758 107 HB2 ARG 10 HB2 ARG 10 48.560 3.712 1.897 108 HB3 ARG 10 HB1 ARG 10 49.929 3.256 0.859 109 HG2 ARG 10 HG2 ARG 10 50.755 5.482 0.748 110 HG3 ARG 10 HG1 ARG 10 49.230 6.177 1.334 111 HD2 ARG 10 HD2 ARG 10 50.853 6.237 3.147 112 HD3 ARG 10 HD1 ARG 10 49.622 5.016 3.544 113 HE ARG 10 HE ARG 10 52.452 4.493 2.879 114 HH11 ARG 10 HH11 ARG 10 50.165 3.325 4.828 115 HH12 ARG 10 HH12 ARG 10 50.247 1.668 4.330 116 HH21 ARG 10 HH21 ARG 10 52.171 2.331 1.523 117 HH22 ARG 10 HH22 ARG 10 51.382 1.106 2.458 118 H ILE 11 HN ILE 11 47.612 5.619 1.842 119 HA ILE 11 HA ILE 11 44.714 5.141 1.521 120 HB ILE 11 HB ILE 11 44.568 6.694 3.534 121 HG12 ILE 11 HG12 ILE 11 47.602 6.378 3.678 122 HG13 ILE 11 HG11 ILE 11 46.866 7.788 2.891 123 HG21 ILE 11 HG21 ILE 11 45.409 4.999 5.091 124 HG22 ILE 11 HG22 ILE 11 46.465 4.319 3.831 125 HG23 ILE 11 HG23 ILE 11 44.697 4.189 3.679 126 HD11 ILE 11 HD1 ILE 11 47.313 8.400 5.180 127 HD12 ILE 11 HD2 ILE 11 46.541 6.922 5.794 128 HD13 ILE 11 HD3 ILE 11 45.553 8.192 5.032 129 H GLY 12 HN GLY 12 47.072 7.335 0.383 130 HA2 GLY 12 HA1 GLY 12 45.744 9.802 0.335 131 HA3 GLY 12 HA2 GLY 12 46.847 9.230 -0.936 132 H LYS 13 HN LYS 13 45.503 7.120 -2.036 133 HA LYS 13 HA LYS 13 43.808 8.200 -3.936 134 HB2 LYS 13 HB2 LYS 13 44.532 5.832 -3.941 135 HB3 LYS 13 HB1 LYS 13 43.433 5.497 -2.584 136 HG2 LYS 13 HG2 LYS 13 41.492 5.967 -3.919 137 HG3 LYS 13 HG1 LYS 13 42.476 6.667 -5.225 138 HD2 LYS 13 HD2 LYS 13 41.700 4.341 -5.744 139 HD3 LYS 13 HD1 LYS 13 43.473 4.477 -5.700 140 HE2 LYS 13 HE2 LYS 13 43.627 3.378 -3.603 141 HE3 LYS 13 HE1 LYS 13 41.910 3.658 -3.224 142 HZ1 LYS 13 HZ1 LYS 13 41.243 1.978 -4.602 143 HZ2 LYS 13 HZ2 LYS 13 42.736 1.349 -4.089 144 HZ3 LYS 13 HZ3 LYS 13 42.600 2.088 -5.613 145 H GLY 14 HN GLY 14 43.122 7.675 -0.572 146 HA2 GLY 14 HA1 GLY 14 40.197 8.026 -0.920 147 HA3 GLY 14 HA2 GLY 14 41.066 7.683 0.587 148 H VAL 15 HN VAL 15 43.015 9.742 0.546 149 HA VAL 15 HA VAL 15 41.194 12.120 0.952 150 HB VAL 15 HB VAL 15 43.074 12.968 2.433 151 HG11 VAL 15 HG11 VAL 15 41.731 10.317 3.124 152 HG12 VAL 15 HG12 VAL 15 41.068 11.946 3.389 153 HG13 VAL 15 HG13 VAL 15 42.493 11.404 4.308 154 HG21 VAL 15 HG21 VAL 15 44.631 11.170 3.295 155 HG22 VAL 15 HG22 VAL 15 44.935 11.629 1.606 156 HG23 VAL 15 HG23 VAL 15 44.071 10.118 1.976 157 H LYS 16 HN LYS 16 44.439 11.168 -0.281 158 HA LYS 16 HA LYS 16 45.195 13.749 -1.186 159 HB2 LYS 16 HB2 LYS 16 46.653 11.676 -1.104 160 HB3 LYS 16 HB1 LYS 16 45.845 11.133 -2.596 161 HG2 LYS 16 HG2 LYS 16 46.584 13.140 -3.783 162 HG3 LYS 16 HG1 LYS 16 47.280 13.810 -2.289 163 HD2 LYS 16 HD2 LYS 16 48.762 11.728 -2.187 164 HD3 LYS 16 HD1 LYS 16 48.202 11.357 -3.835 165 HE2 LYS 16 HE2 LYS 16 49.606 13.918 -2.962 166 HE3 LYS 16 HE1 LYS 16 50.332 12.599 -3.911 167 HZ1 LYS 16 HZ1 LYS 16 48.172 14.469 -4.700 168 HZ2 LYS 16 HZ2 LYS 16 48.414 12.998 -5.515 169 HZ3 LYS 16 HZ3 LYS 16 49.647 14.168 -5.480 170 H ILE 17 HN ILE 17 42.946 11.390 -2.510 171 HA ILE 17 HA ILE 17 42.826 12.472 -5.173 172 HB ILE 17 HB ILE 17 41.915 10.229 -4.454 173 HG12 ILE 17 HG12 ILE 17 39.662 11.875 -5.692 174 HG13 ILE 17 HG11 ILE 17 41.176 11.595 -6.577 175 HG21 ILE 17 HG21 ILE 17 39.803 10.080 -3.290 176 HG22 ILE 17 HG22 ILE 17 39.567 11.840 -3.360 177 HG23 ILE 17 HG23 ILE 17 40.855 11.154 -2.343 178 HD11 ILE 17 HD1 ILE 17 40.857 9.120 -6.236 179 HD12 ILE 17 HD2 ILE 17 39.570 9.876 -7.204 180 HD13 ILE 17 HD3 ILE 17 39.275 9.468 -5.499 181 H ILE 18 HN ILE 18 42.270 14.016 -2.347 182 HA ILE 18 HA ILE 18 41.193 15.981 -1.798 183 HB ILE 18 HB ILE 18 40.404 16.281 -4.728 184 HG12 ILE 18 HG12 ILE 18 43.027 17.044 -3.359 185 HG13 ILE 18 HG11 ILE 18 42.833 15.743 -4.556 186 HG21 ILE 18 HG21 ILE 18 41.169 18.395 -2.674 187 HG22 ILE 18 HG22 ILE 18 39.494 17.834 -2.887 188 HG23 ILE 18 HG23 ILE 18 40.343 18.624 -4.234 189 HD11 ILE 18 HD1 ILE 18 42.584 18.741 -4.963 190 HD12 ILE 18 HD2 ILE 18 41.854 17.592 -6.111 191 HD13 ILE 18 HD3 ILE 18 43.612 17.582 -5.835 192 H GLY 19 HN GLY 19 39.621 15.019 -0.546 193 HA2 GLY 19 HA1 GLY 19 36.919 15.476 -1.361 194 HA3 GLY 19 HA2 GLY 19 37.283 13.745 -1.511 195 H GLY 20 HN GLY 20 39.204 15.221 0.847 196 HA2 GLY 20 HA1 GLY 20 37.271 15.015 3.051 197 HA3 GLY 20 HA2 GLY 20 38.467 13.703 3.003 198 H ALA 21 HN ALA 21 40.706 15.089 2.058 199 HA ALA 21 HA ALA 21 41.717 16.191 4.488 200 HB1 ALA 21 HB1 ALA 21 43.234 15.302 2.853 201 HB2 ALA 21 HB2 ALA 21 43.578 17.041 3.002 202 HB3 ALA 21 HB3 ALA 21 42.651 16.432 1.610 203 H ALA 22 HN ALA 22 40.106 17.633 1.698 204 HA ALA 22 HA ALA 22 40.724 20.382 2.473 205 HB1 ALA 22 HB1 ALA 22 39.047 20.957 0.743 206 HB2 ALA 22 HB2 ALA 22 38.628 19.234 0.594 207 HB3 ALA 22 HB3 ALA 22 40.256 19.798 0.144 208 H LEU 23 HN LEU 23 38.289 17.993 3.246 209 HA LEU 23 HA LEU 23 36.362 19.937 4.304 210 HB2 LEU 23 HB2 LEU 23 36.632 16.912 4.394 211 HB3 LEU 23 HB1 LEU 23 35.378 17.757 5.329 212 HG LEU 23 HG LEU 23 34.467 18.758 3.290 213 HD11 LEU 23 HD11 LEU 23 36.364 19.131 1.899 214 HD12 LEU 23 HD12 LEU 23 35.441 17.871 1.051 215 HD13 LEU 23 HD13 LEU 23 36.882 17.432 1.999 216 HD21 LEU 23 HD21 LEU 23 33.580 16.744 2.269 217 HD22 LEU 23 HD22 LEU 23 33.822 16.409 4.000 218 HD23 LEU 23 HD23 LEU 23 34.986 15.793 2.803 219 H ASP 24 HN ASP 24 38.879 20.499 5.339 220 HA ASP 24 HA ASP 24 38.302 20.309 8.205 221 HB2 ASP 24 HB2 ASP 24 39.420 18.108 7.721 222 HB3 ASP 24 HB1 ASP 24 40.852 19.009 7.170 223 H HIS 25 HN HIS 25 40.611 21.082 5.601 224 HA HIS 25 HA HIS 25 42.079 22.866 5.367 225 HB2 HIS 25 HB2 HIS 25 39.848 24.040 5.389 226 HB3 HIS 25 HB1 HIS 25 40.082 24.340 7.128 227 HD1 HIS 25 HD1 HIS 25 43.010 25.111 7.301 228 HD2 HIS 25 HD2 HIS 25 40.536 26.415 4.160 229 HE1 HIS 25 HE1 HIS 25 44.043 27.249 6.355 230 H LEU 26 HN LEU 26 43.930 22.267 6.398 231 HA LEU 26 HA LEU 26 44.193 22.241 9.275 232 HB2 LEU 26 HB2 LEU 26 46.163 22.204 6.967 233 HB3 LEU 26 HB1 LEU 26 46.718 22.230 8.651 234 HG LEU 26 HG LEU 26 46.521 19.924 7.540 235 HD11 LEU 26 HD11 LEU 26 44.757 20.126 10.011 236 HD12 LEU 26 HD12 LEU 26 46.507 20.426 10.086 237 HD13 LEU 26 HD13 LEU 26 45.898 18.845 9.553 238 HD21 LEU 26 HD21 LEU 26 44.343 18.919 7.291 239 HD22 LEU 26 HD22 LEU 26 44.306 20.470 6.422 240 HD23 LEU 26 HD23 LEU 26 43.535 20.326 8.020 Start of MODEL 60 1 H1 GLY 1 HT1 GLY 1 62.001 2.334 -4.024 2 H2 GLY 1 HT2 GLY 1 62.819 1.139 -3.134 3 H3 GLY 1 HT3 GLY 1 62.651 2.709 -2.504 4 HA2 GLY 1 HA1 GLY 1 60.324 1.062 -3.173 5 HA3 GLY 1 HA2 GLY 1 61.159 0.902 -1.616 6 H ARG 2 HN ARG 2 61.584 3.040 -0.461 7 HA ARG 2 HA ARG 2 58.998 4.379 -0.187 8 HB2 ARG 2 HB2 ARG 2 61.636 5.185 1.088 9 HB3 ARG 2 HB1 ARG 2 59.988 5.505 1.676 10 HG2 ARG 2 HG2 ARG 2 61.282 2.753 1.421 11 HG3 ARG 2 HG1 ARG 2 61.031 3.649 2.937 12 HD2 ARG 2 HD2 ARG 2 58.512 3.701 2.245 13 HD3 ARG 2 HD1 ARG 2 58.955 2.405 1.106 14 HE ARG 2 HE ARG 2 58.519 2.012 3.876 15 HH11 ARG 2 HH11 ARG 2 61.247 1.734 4.482 16 HH12 ARG 2 HH12 ARG 2 61.697 0.158 3.923 17 HH21 ARG 2 HH21 ARG 2 58.939 -0.179 1.847 18 HH22 ARG 2 HH22 ARG 2 60.389 -0.926 2.431 19 H ARG 3 HN ARG 3 58.508 5.539 -2.013 20 HA ARG 3 HA ARG 3 60.456 7.293 -3.282 21 HB2 ARG 3 HB2 ARG 3 58.494 6.234 -4.447 22 HB3 ARG 3 HB1 ARG 3 57.424 7.323 -3.534 23 HG2 ARG 3 HG2 ARG 3 58.588 9.286 -4.487 24 HG3 ARG 3 HG1 ARG 3 59.680 8.207 -5.388 25 HD2 ARG 3 HD2 ARG 3 57.734 7.246 -6.590 26 HD3 ARG 3 HD1 ARG 3 56.647 8.334 -5.694 27 HE ARG 3 HE ARG 3 57.279 10.043 -7.188 28 HH11 ARG 3 HH11 ARG 3 57.963 8.584 -9.469 29 HH12 ARG 3 HH12 ARG 3 59.666 8.801 -9.688 30 HH21 ARG 3 HH21 ARG 3 60.211 9.884 -6.439 31 HH22 ARG 3 HH22 ARG 3 60.939 9.538 -7.972 32 H LYS 4 HN LYS 4 57.262 8.230 -1.958 33 HA LYS 4 HA LYS 4 58.435 10.842 -1.125 34 HB2 LYS 4 HB2 LYS 4 55.558 9.844 -1.162 35 HB3 LYS 4 HB1 LYS 4 56.084 11.507 -0.801 36 HG2 LYS 4 HG2 LYS 4 57.140 11.637 -3.059 37 HG3 LYS 4 HG1 LYS 4 56.529 10.005 -3.420 38 HD2 LYS 4 HD2 LYS 4 54.207 10.787 -3.088 39 HD3 LYS 4 HD1 LYS 4 54.806 12.419 -2.705 40 HE2 LYS 4 HE2 LYS 4 55.759 12.648 -4.943 41 HE3 LYS 4 HE1 LYS 4 55.326 10.968 -5.336 42 HZ1 LYS 4 HZ1 LYS 4 53.616 13.337 -5.111 43 HZ2 LYS 4 HZ2 LYS 4 52.960 11.850 -4.617 44 HZ3 LYS 4 HZ3 LYS 4 53.538 12.042 -6.202 45 H ARG 5 HN ARG 5 59.028 8.289 0.313 46 HA ARG 5 HA ARG 5 59.163 7.558 2.511 47 HB2 ARG 5 HB2 ARG 5 58.394 10.407 3.241 48 HB3 ARG 5 HB1 ARG 5 59.303 9.243 4.233 49 HG2 ARG 5 HG2 ARG 5 60.227 10.373 1.552 50 HG3 ARG 5 HG1 ARG 5 60.807 10.906 3.146 51 HD2 ARG 5 HD2 ARG 5 61.391 8.365 3.516 52 HD3 ARG 5 HD1 ARG 5 61.274 8.260 1.741 53 HE ARG 5 HE ARG 5 63.447 9.460 3.211 54 HH11 ARG 5 HH11 ARG 5 63.558 11.856 2.210 55 HH12 ARG 5 HH12 ARG 5 63.830 11.786 0.501 56 HH21 ARG 5 HH21 ARG 5 62.896 8.459 0.223 57 HH22 ARG 5 HH22 ARG 5 63.455 9.862 -0.623 58 H LYS 6 HN LYS 6 57.212 6.282 1.986 59 HA LYS 6 HA LYS 6 55.058 5.553 2.468 60 HB2 LYS 6 HB2 LYS 6 55.560 7.015 5.089 61 HB3 LYS 6 HB1 LYS 6 54.424 5.674 4.815 62 HG2 LYS 6 HG2 LYS 6 56.336 4.212 4.164 63 HG3 LYS 6 HG1 LYS 6 57.457 5.550 4.518 64 HD2 LYS 6 HD2 LYS 6 56.666 5.598 6.863 65 HD3 LYS 6 HD1 LYS 6 55.541 4.265 6.514 66 HE2 LYS 6 HE2 LYS 6 57.383 2.760 6.006 67 HE3 LYS 6 HE1 LYS 6 58.559 4.090 6.130 68 HZ1 LYS 6 HZ1 LYS 6 58.688 3.088 8.190 69 HZ2 LYS 6 HZ2 LYS 6 57.024 2.757 8.273 70 HZ3 LYS 6 HZ3 LYS 6 57.588 4.344 8.490 71 H TRP 7 HN TRP 7 54.533 7.328 0.768 72 HA TRP 7 HA TRP 7 52.111 8.615 1.670 73 HB2 TRP 7 HB2 TRP 7 53.899 10.179 2.598 74 HB3 TRP 7 HB1 TRP 7 54.351 10.531 0.913 75 HD1 TRP 7 HD1 TRP 7 53.094 12.459 -0.159 76 HE1 TRP 7 HE1 TRP 7 50.877 13.749 0.267 77 HE3 TRP 7 HE3 TRP 7 51.268 9.666 3.722 78 HZ2 TRP 7 HZ2 TRP 7 48.631 13.565 2.060 79 HZ3 TRP 7 HZ3 TRP 7 49.086 10.240 4.775 80 HH2 TRP 7 HH2 TRP 7 47.767 12.186 3.949 81 H LEU 8 HN LEU 8 53.669 6.991 -0.496 82 HA LEU 8 HA LEU 8 53.655 8.340 -2.950 83 HB2 LEU 8 HB2 LEU 8 52.526 5.560 -3.064 84 HB3 LEU 8 HB1 LEU 8 53.926 6.259 -3.904 85 HG LEU 8 HG LEU 8 55.027 6.244 -1.473 86 HD11 LEU 8 HD11 LEU 8 54.192 4.635 0.060 87 HD12 LEU 8 HD12 LEU 8 53.166 3.852 -1.166 88 HD13 LEU 8 HD13 LEU 8 52.714 5.440 -0.513 89 HD21 LEU 8 HD21 LEU 8 54.579 3.737 -3.159 90 HD22 LEU 8 HD22 LEU 8 55.828 3.901 -1.902 91 HD23 LEU 8 HD23 LEU 8 55.884 4.931 -3.352 92 H ARG 9 HN ARG 9 50.982 6.164 -1.941 93 HA ARG 9 HA ARG 9 48.941 8.154 -2.396 94 HB2 ARG 9 HB2 ARG 9 47.937 6.808 -4.421 95 HB3 ARG 9 HB1 ARG 9 49.228 7.991 -4.726 96 HG2 ARG 9 HG2 ARG 9 49.648 5.857 -5.919 97 HG3 ARG 9 HG1 ARG 9 50.915 6.190 -4.720 98 HD2 ARG 9 HD2 ARG 9 50.099 4.538 -3.226 99 HD3 ARG 9 HD1 ARG 9 48.503 4.478 -4.017 100 HE ARG 9 HE ARG 9 50.535 3.696 -5.890 101 HH11 ARG 9 HH11 ARG 9 48.963 1.774 -6.469 102 HH12 ARG 9 HH12 ARG 9 49.079 0.487 -5.317 103 HH21 ARG 9 HH21 ARG 9 50.659 2.423 -2.914 104 HH22 ARG 9 HH22 ARG 9 50.040 0.853 -3.304 105 H ARG 10 HN ARG 10 49.957 5.897 -0.635 106 HA ARG 10 HA ARG 10 48.363 3.637 -0.596 107 HB2 ARG 10 HB2 ARG 10 48.361 4.134 2.064 108 HB3 ARG 10 HB1 ARG 10 49.837 3.656 1.196 109 HG2 ARG 10 HG2 ARG 10 50.609 5.922 1.046 110 HG3 ARG 10 HG1 ARG 10 49.038 6.571 1.568 111 HD2 ARG 10 HD2 ARG 10 50.623 6.637 3.442 112 HD3 ARG 10 HD1 ARG 10 49.349 5.442 3.783 113 HE ARG 10 HE ARG 10 51.675 4.247 2.491 114 HH11 ARG 10 HH11 ARG 10 53.026 2.986 3.797 115 HH12 ARG 10 HH12 ARG 10 52.777 2.966 5.511 116 HH21 ARG 10 HH21 ARG 10 50.167 5.248 5.425 117 HH22 ARG 10 HH22 ARG 10 51.157 4.247 6.432 118 H ILE 11 HN ILE 11 47.362 6.009 1.837 119 HA ILE 11 HA ILE 11 44.521 5.488 1.044 120 HB ILE 11 HB ILE 11 44.157 6.854 3.300 121 HG12 ILE 11 HG12 ILE 11 46.026 6.611 4.885 122 HG13 ILE 11 HG11 ILE 11 47.029 5.865 3.623 123 HG21 ILE 11 HG21 ILE 11 44.478 4.739 4.604 124 HG22 ILE 11 HG22 ILE 11 45.345 4.045 3.213 125 HG23 ILE 11 HG23 ILE 11 43.625 4.478 3.064 126 HD11 ILE 11 HD1 ILE 11 45.830 8.632 3.239 127 HD12 ILE 11 HD2 ILE 11 47.220 7.893 2.406 128 HD13 ILE 11 HD3 ILE 11 47.368 8.401 4.103 129 H GLY 12 HN GLY 12 46.895 7.615 0.226 130 HA2 GLY 12 HA1 GLY 12 45.465 10.129 0.485 131 HA3 GLY 12 HA2 GLY 12 46.889 9.817 -0.533 132 H LYS 13 HN LYS 13 45.732 7.604 -1.975 133 HA LYS 13 HA LYS 13 44.540 8.989 -4.145 134 HB2 LYS 13 HB2 LYS 13 45.561 6.788 -4.396 135 HB3 LYS 13 HB1 LYS 13 44.362 6.068 -3.307 136 HG2 LYS 13 HG2 LYS 13 43.205 7.549 -5.651 137 HG3 LYS 13 HG1 LYS 13 44.131 6.100 -6.075 138 HD2 LYS 13 HD2 LYS 13 41.955 6.064 -3.935 139 HD3 LYS 13 HD1 LYS 13 41.606 5.781 -5.651 140 HE2 LYS 13 HE2 LYS 13 43.508 3.964 -5.492 141 HE3 LYS 13 HE1 LYS 13 43.238 4.081 -3.737 142 HZ1 LYS 13 HZ1 LYS 13 41.455 2.823 -3.973 143 HZ2 LYS 13 HZ2 LYS 13 41.712 2.713 -5.647 144 HZ3 LYS 13 HZ3 LYS 13 40.746 3.959 -5.012 145 H GLY 14 HN GLY 14 43.322 8.241 -1.080 146 HA2 GLY 14 HA1 GLY 14 40.473 8.205 -1.983 147 HA3 GLY 14 HA2 GLY 14 41.080 7.802 -0.367 148 H VAL 15 HN VAL 15 42.761 10.058 0.075 149 HA VAL 15 HA VAL 15 40.648 12.212 0.291 150 HB VAL 15 HB VAL 15 41.965 13.005 2.273 151 HG11 VAL 15 HG11 VAL 15 39.984 11.604 2.599 152 HG12 VAL 15 HG12 VAL 15 41.236 11.128 3.772 153 HG13 VAL 15 HG13 VAL 15 40.945 10.131 2.327 154 HG21 VAL 15 HG21 VAL 15 43.553 11.298 3.280 155 HG22 VAL 15 HG22 VAL 15 44.151 12.061 1.787 156 HG23 VAL 15 HG23 VAL 15 43.481 10.412 1.740 157 H LYS 16 HN LYS 16 44.109 11.540 -0.310 158 HA LYS 16 HA LYS 16 44.763 14.324 -0.779 159 HB2 LYS 16 HB2 LYS 16 46.441 12.589 -0.163 160 HB3 LYS 16 HB1 LYS 16 46.197 11.823 -1.752 161 HG2 LYS 16 HG2 LYS 16 47.005 13.783 -2.913 162 HG3 LYS 16 HG1 LYS 16 47.009 14.739 -1.414 163 HD2 LYS 16 HD2 LYS 16 49.297 14.061 -1.889 164 HD3 LYS 16 HD1 LYS 16 48.726 13.156 -0.468 165 HE2 LYS 16 HE2 LYS 16 48.459 11.148 -1.711 166 HE3 LYS 16 HE1 LYS 16 48.497 12.000 -3.273 167 HZ1 LYS 16 HZ1 LYS 16 50.824 12.621 -2.754 168 HZ2 LYS 16 HZ2 LYS 16 50.593 10.946 -2.920 169 HZ3 LYS 16 HZ3 LYS 16 50.760 11.635 -1.375 170 H ILE 17 HN ILE 17 43.323 11.793 -2.706 171 HA ILE 17 HA ILE 17 44.059 12.648 -5.300 172 HB ILE 17 HB ILE 17 42.788 10.548 -4.758 173 HG12 ILE 17 HG12 ILE 17 41.463 12.373 -6.819 174 HG13 ILE 17 HG11 ILE 17 42.978 11.477 -7.076 175 HG21 ILE 17 HG21 ILE 17 40.313 12.315 -4.742 176 HG22 ILE 17 HG22 ILE 17 41.134 11.830 -3.239 177 HG23 ILE 17 HG23 ILE 17 40.444 10.593 -4.317 178 HD11 ILE 17 HD1 ILE 17 41.282 10.099 -8.030 179 HD12 ILE 17 HD2 ILE 17 40.179 10.366 -6.660 180 HD13 ILE 17 HD3 ILE 17 41.632 9.355 -6.452 181 H ILE 18 HN ILE 18 41.334 13.759 -3.223 182 HA ILE 18 HA ILE 18 41.402 16.365 -4.512 183 HB ILE 18 HB ILE 18 40.139 14.802 -6.176 184 HG12 ILE 18 HG12 ILE 18 38.234 16.683 -6.372 185 HG13 ILE 18 HG11 ILE 18 39.197 17.493 -5.119 186 HG21 ILE 18 HG21 ILE 18 38.000 14.017 -5.682 187 HG22 ILE 18 HG22 ILE 18 37.680 15.285 -4.480 188 HG23 ILE 18 HG23 ILE 18 38.728 13.911 -4.063 189 HD11 ILE 18 HD1 ILE 18 39.825 18.180 -7.448 190 HD12 ILE 18 HD2 ILE 18 40.308 16.502 -7.787 191 HD13 ILE 18 HD3 ILE 18 41.183 17.453 -6.563 192 H GLY 19 HN GLY 19 41.536 15.172 -1.845 193 HA2 GLY 19 HA1 GLY 19 39.511 16.921 -0.575 194 HA3 GLY 19 HA2 GLY 19 39.395 15.190 -0.193 195 H GLY 20 HN GLY 20 42.468 16.744 -0.868 196 HA2 GLY 20 HA1 GLY 20 43.079 17.135 1.995 197 HA3 GLY 20 HA2 GLY 20 43.945 15.802 1.206 198 H ALA 21 HN ALA 21 44.557 16.689 -1.247 199 HA ALA 21 HA ALA 21 46.819 18.320 -0.831 200 HB1 ALA 21 HB1 ALA 21 46.412 16.890 -2.823 201 HB2 ALA 21 HB2 ALA 21 46.904 18.545 -3.256 202 HB3 ALA 21 HB3 ALA 21 45.196 18.059 -3.385 203 H ALA 22 HN ALA 22 43.749 19.303 -2.435 204 HA ALA 22 HA ALA 22 44.475 22.153 -2.070 205 HB1 ALA 22 HB1 ALA 22 42.540 22.606 -3.425 206 HB2 ALA 22 HB2 ALA 22 41.942 20.942 -3.220 207 HB3 ALA 22 HB3 ALA 22 43.421 21.247 -4.163 208 H LEU 23 HN LEU 23 42.511 19.699 -0.541 209 HA LEU 23 HA LEU 23 40.742 21.587 0.819 210 HB2 LEU 23 HB2 LEU 23 40.243 19.135 0.288 211 HB3 LEU 23 HB1 LEU 23 41.358 18.719 1.606 212 HG LEU 23 HG LEU 23 39.877 20.402 3.036 213 HD11 LEU 23 HD11 LEU 23 38.476 21.285 1.241 214 HD12 LEU 23 HD12 LEU 23 37.462 20.292 2.308 215 HD13 LEU 23 HD13 LEU 23 38.003 19.643 0.745 216 HD21 LEU 23 HD21 LEU 23 40.035 17.987 3.478 217 HD22 LEU 23 HD22 LEU 23 38.874 17.652 2.170 218 HD23 LEU 23 HD23 LEU 23 38.345 18.525 3.629 219 H ASP 24 HN ASP 24 42.893 22.850 1.361 220 HA ASP 24 HA ASP 24 43.261 22.499 4.242 221 HB2 ASP 24 HB2 ASP 24 45.511 21.861 2.301 222 HB3 ASP 24 HB1 ASP 24 45.836 22.410 3.963 223 H HIS 25 HN HIS 25 43.230 24.239 1.357 224 HA HIS 25 HA HIS 25 44.953 26.445 2.105 225 HB2 HIS 25 HB2 HIS 25 44.216 25.934 -0.237 226 HB3 HIS 25 HB1 HIS 25 42.571 26.452 0.209 227 HD1 HIS 25 HD1 HIS 25 42.093 28.836 -0.308 228 HD2 HIS 25 HD2 HIS 25 46.151 28.220 0.599 229 HE1 HIS 25 HE1 HIS 25 43.282 31.081 -0.578 230 H LEU 26 HN LEU 26 41.412 25.895 2.255 231 HA LEU 26 HA LEU 26 39.772 27.015 3.456 232 HB2 LEU 26 HB2 LEU 26 41.933 27.766 5.451 233 HB3 LEU 26 HB1 LEU 26 40.221 27.386 5.754 234 HG LEU 26 HG LEU 26 42.379 25.440 4.820 235 HD11 LEU 26 HD11 LEU 26 42.008 24.385 7.006 236 HD12 LEU 26 HD12 LEU 26 40.744 25.577 7.393 237 HD13 LEU 26 HD13 LEU 26 42.439 26.096 7.232 238 HD21 LEU 26 HD21 LEU 26 40.465 23.752 5.227 239 HD22 LEU 26 HD22 LEU 26 40.342 24.748 3.759 240 HD23 LEU 26 HD23 LEU 26 39.367 25.152 5.193 Start of MODEL 61 1 H1 GLY 1 HT1 GLY 1 53.457 -0.794 0.890 2 H2 GLY 1 HT2 GLY 1 55.142 -0.639 0.732 3 H3 GLY 1 HT3 GLY 1 54.124 0.672 0.364 4 HA2 GLY 1 HA1 GLY 1 53.432 0.832 2.627 5 HA3 GLY 1 HA2 GLY 1 54.461 -0.559 3.020 6 H ARG 2 HN ARG 2 56.674 -0.331 3.181 7 HA ARG 2 HA ARG 2 57.573 2.392 3.768 8 HB2 ARG 2 HB2 ARG 2 59.088 -0.247 3.670 9 HB3 ARG 2 HB1 ARG 2 59.715 1.284 4.327 10 HG2 ARG 2 HG2 ARG 2 57.799 1.326 5.946 11 HG3 ARG 2 HG1 ARG 2 57.292 -0.268 5.337 12 HD2 ARG 2 HD2 ARG 2 59.969 0.397 6.640 13 HD3 ARG 2 HD1 ARG 2 58.647 -0.548 7.368 14 HE ARG 2 HE ARG 2 59.292 -1.829 4.939 15 HH11 ARG 2 HH11 ARG 2 61.948 -0.682 6.253 16 HH12 ARG 2 HH12 ARG 2 62.540 -2.142 6.974 17 HH21 ARG 2 HH21 ARG 2 59.550 -3.856 6.588 18 HH22 ARG 2 HH22 ARG 2 61.181 -3.938 7.166 19 H ARG 3 HN ARG 3 56.740 1.983 1.023 20 HA ARG 3 HA ARG 3 59.121 1.704 -0.630 21 HB2 ARG 3 HB2 ARG 3 56.775 1.247 -1.409 22 HB3 ARG 3 HB1 ARG 3 56.458 2.997 -1.333 23 HG2 ARG 3 HG2 ARG 3 58.241 3.432 -2.957 24 HG3 ARG 3 HG1 ARG 3 58.679 1.706 -2.978 25 HD2 ARG 3 HD2 ARG 3 56.411 1.150 -3.831 26 HD3 ARG 3 HD1 ARG 3 56.000 2.882 -3.842 27 HE ARG 3 HE ARG 3 57.605 1.503 -5.835 28 HH11 ARG 3 HH11 ARG 3 57.000 4.458 -4.165 29 HH12 ARG 3 HH12 ARG 3 57.728 5.451 -5.383 30 HH21 ARG 3 HH21 ARG 3 58.610 2.779 -7.410 31 HH22 ARG 3 HH22 ARG 3 58.639 4.500 -7.221 32 H LYS 4 HN LYS 4 57.341 4.384 0.859 33 HA LYS 4 HA LYS 4 59.640 6.127 0.643 34 HB2 LYS 4 HB2 LYS 4 58.754 6.164 -1.734 35 HB3 LYS 4 HB1 LYS 4 57.267 6.903 -1.094 36 HG2 LYS 4 HG2 LYS 4 58.534 8.797 -0.208 37 HG3 LYS 4 HG1 LYS 4 60.070 8.038 -0.690 38 HD2 LYS 4 HD2 LYS 4 59.440 8.167 -3.053 39 HD3 LYS 4 HD1 LYS 4 57.841 8.821 -2.618 40 HE2 LYS 4 HE2 LYS 4 60.525 10.147 -2.029 41 HE3 LYS 4 HE1 LYS 4 59.379 10.638 -3.300 42 HZ1 LYS 4 HZ1 LYS 4 58.467 11.926 -1.750 43 HZ2 LYS 4 HZ2 LYS 4 59.331 11.188 -0.488 44 HZ3 LYS 4 HZ3 LYS 4 57.866 10.516 -1.025 45 H ARG 5 HN ARG 5 58.755 5.718 2.928 46 HA ARG 5 HA ARG 5 57.590 6.497 4.790 47 HB2 ARG 5 HB2 ARG 5 57.992 9.009 3.127 48 HB3 ARG 5 HB1 ARG 5 57.258 9.062 4.747 49 HG2 ARG 5 HG2 ARG 5 59.729 9.471 4.792 50 HG3 ARG 5 HG1 ARG 5 59.251 8.040 5.734 51 HD2 ARG 5 HD2 ARG 5 60.083 6.538 4.100 52 HD3 ARG 5 HD1 ARG 5 60.101 7.784 2.825 53 HE ARG 5 HE ARG 5 62.187 7.333 4.839 54 HH11 ARG 5 HH11 ARG 5 61.412 8.765 1.926 55 HH12 ARG 5 HH12 ARG 5 62.462 10.132 2.104 56 HH21 ARG 5 HH21 ARG 5 63.232 9.442 5.415 57 HH22 ARG 5 HH22 ARG 5 63.490 10.515 4.080 58 H LYS 6 HN LYS 6 56.062 8.982 2.843 59 HA LYS 6 HA LYS 6 53.528 7.439 2.617 60 HB2 LYS 6 HB2 LYS 6 53.862 9.939 4.319 61 HB3 LYS 6 HB1 LYS 6 52.284 9.362 3.732 62 HG2 LYS 6 HG2 LYS 6 52.781 7.130 4.826 63 HG3 LYS 6 HG1 LYS 6 54.226 7.868 5.551 64 HD2 LYS 6 HD2 LYS 6 51.400 8.962 5.899 65 HD3 LYS 6 HD1 LYS 6 52.186 7.866 7.056 66 HE2 LYS 6 HE2 LYS 6 54.121 9.619 7.095 67 HE3 LYS 6 HE1 LYS 6 52.941 10.717 6.339 68 HZ1 LYS 6 HZ1 LYS 6 52.444 11.113 8.491 69 HZ2 LYS 6 HZ2 LYS 6 52.993 9.600 9.034 70 HZ3 LYS 6 HZ3 LYS 6 51.466 9.740 8.303 71 H TRP 7 HN TRP 7 53.851 7.641 0.384 72 HA TRP 7 HA TRP 7 52.802 10.135 -0.717 73 HB2 TRP 7 HB2 TRP 7 55.177 10.770 -0.422 74 HB3 TRP 7 HB1 TRP 7 55.670 9.350 -1.377 75 HD1 TRP 7 HD1 TRP 7 55.386 9.450 -3.967 76 HE1 TRP 7 HE1 TRP 7 54.784 11.330 -5.659 77 HE3 TRP 7 HE3 TRP 7 53.677 12.980 -0.677 78 HZ2 TRP 7 HZ2 TRP 7 53.705 13.998 -5.565 79 HZ3 TRP 7 HZ3 TRP 7 52.866 15.187 -1.501 80 HH2 TRP 7 HH2 TRP 7 52.879 15.699 -3.939 81 H LEU 8 HN LEU 8 53.742 6.848 -0.823 82 HA LEU 8 HA LEU 8 53.550 6.331 -3.620 83 HB2 LEU 8 HB2 LEU 8 53.199 3.997 -2.995 84 HB3 LEU 8 HB1 LEU 8 54.474 4.718 -1.996 85 HG LEU 8 HG LEU 8 51.558 4.429 -1.109 86 HD11 LEU 8 HD11 LEU 8 52.663 2.232 -1.496 87 HD12 LEU 8 HD12 LEU 8 52.341 2.525 0.230 88 HD13 LEU 8 HD13 LEU 8 53.988 2.725 -0.415 89 HD21 LEU 8 HD21 LEU 8 54.121 5.398 0.219 90 HD22 LEU 8 HD22 LEU 8 52.835 4.658 1.201 91 HD23 LEU 8 HD23 LEU 8 52.497 6.122 0.258 92 H ARG 9 HN ARG 9 51.231 7.715 -1.751 93 HA ARG 9 HA ARG 9 48.970 8.059 -2.059 94 HB2 ARG 9 HB2 ARG 9 49.192 6.571 -4.698 95 HB3 ARG 9 HB1 ARG 9 48.026 7.830 -4.236 96 HG2 ARG 9 HG2 ARG 9 51.033 8.217 -4.590 97 HG3 ARG 9 HG1 ARG 9 49.764 8.775 -5.702 98 HD2 ARG 9 HD2 ARG 9 48.794 10.045 -3.647 99 HD3 ARG 9 HD1 ARG 9 50.383 9.756 -2.898 100 HE ARG 9 HE ARG 9 51.247 11.427 -4.312 101 HH11 ARG 9 HH11 ARG 9 51.510 11.912 -6.634 102 HH12 ARG 9 HH12 ARG 9 50.048 12.218 -7.511 103 HH21 ARG 9 HH21 ARG 9 47.977 11.045 -4.989 104 HH22 ARG 9 HH22 ARG 9 48.048 11.728 -6.580 105 H ARG 10 HN ARG 10 49.811 5.775 -0.578 106 HA ARG 10 HA ARG 10 48.462 3.380 -1.295 107 HB2 ARG 10 HB2 ARG 10 48.246 3.239 1.384 108 HB3 ARG 10 HB1 ARG 10 49.822 3.082 0.577 109 HG2 ARG 10 HG2 ARG 10 50.458 5.305 1.094 110 HG3 ARG 10 HG1 ARG 10 48.794 5.809 1.449 111 HD2 ARG 10 HD2 ARG 10 50.064 5.536 3.542 112 HD3 ARG 10 HD1 ARG 10 48.784 4.302 3.439 113 HE ARG 10 HE ARG 10 51.318 3.354 2.359 114 HH11 ARG 10 HH11 ARG 10 49.739 1.390 3.685 115 HH12 ARG 10 HH12 ARG 10 50.408 1.280 5.280 116 HH21 ARG 10 HH21 ARG 10 52.072 4.316 5.078 117 HH22 ARG 10 HH22 ARG 10 51.728 2.936 6.068 118 H ILE 11 HN ILE 11 47.202 5.060 1.532 119 HA ILE 11 HA ILE 11 44.442 4.661 0.507 120 HB ILE 11 HB ILE 11 44.960 4.034 2.854 121 HG12 ILE 11 HG12 ILE 11 43.200 6.529 2.858 122 HG13 ILE 11 HG11 ILE 11 42.688 5.015 2.084 123 HG21 ILE 11 HG21 ILE 11 46.746 5.816 3.123 124 HG22 ILE 11 HG22 ILE 11 45.622 5.692 4.493 125 HG23 ILE 11 HG23 ILE 11 45.445 7.012 3.311 126 HD11 ILE 11 HD1 ILE 11 43.345 5.473 5.021 127 HD12 ILE 11 HD2 ILE 11 43.144 3.852 4.312 128 HD13 ILE 11 HD3 ILE 11 41.785 4.999 4.312 129 H GLY 12 HN GLY 12 46.861 7.092 0.600 130 HA2 GLY 12 HA1 GLY 12 45.330 9.438 0.993 131 HA3 GLY 12 HA2 GLY 12 46.767 9.315 -0.048 132 H LYS 13 HN LYS 13 45.749 7.374 -1.851 133 HA LYS 13 HA LYS 13 44.613 8.910 -3.873 134 HB2 LYS 13 HB2 LYS 13 45.463 6.481 -3.918 135 HB3 LYS 13 HB1 LYS 13 43.838 6.014 -3.366 136 HG2 LYS 13 HG2 LYS 13 42.994 7.461 -5.395 137 HG3 LYS 13 HG1 LYS 13 44.663 7.306 -5.990 138 HD2 LYS 13 HD2 LYS 13 42.706 5.050 -5.365 139 HD3 LYS 13 HD1 LYS 13 43.358 5.500 -6.957 140 HE2 LYS 13 HE2 LYS 13 44.857 4.270 -4.605 141 HE3 LYS 13 HE1 LYS 13 44.625 3.589 -6.234 142 HZ1 LYS 13 HZ1 LYS 13 46.587 4.515 -6.689 143 HZ2 LYS 13 HZ2 LYS 13 46.570 5.495 -5.302 144 HZ3 LYS 13 HZ3 LYS 13 45.775 6.004 -6.714 145 H GLY 14 HN GLY 14 43.151 7.712 -0.978 146 HA2 GLY 14 HA1 GLY 14 40.383 8.177 -1.973 147 HA3 GLY 14 HA2 GLY 14 40.856 7.430 -0.437 148 H VAL 15 HN VAL 15 42.622 9.317 0.623 149 HA VAL 15 HA VAL 15 40.668 11.554 1.157 150 HB VAL 15 HB VAL 15 42.083 11.944 3.210 151 HG11 VAL 15 HG11 VAL 15 39.979 10.634 3.262 152 HG12 VAL 15 HG12 VAL 15 41.168 9.988 4.418 153 HG13 VAL 15 HG13 VAL 15 40.890 9.157 2.868 154 HG21 VAL 15 HG21 VAL 15 43.351 9.326 2.283 155 HG22 VAL 15 HG22 VAL 15 43.558 10.032 3.902 156 HG23 VAL 15 HG23 VAL 15 44.174 10.892 2.473 157 H LYS 16 HN LYS 16 44.131 10.935 0.411 158 HA LYS 16 HA LYS 16 45.033 13.600 0.548 159 HB2 LYS 16 HB2 LYS 16 46.507 11.652 0.154 160 HB3 LYS 16 HB1 LYS 16 45.857 11.501 -1.496 161 HG2 LYS 16 HG2 LYS 16 46.725 13.666 -2.122 162 HG3 LYS 16 HG1 LYS 16 47.157 14.043 -0.436 163 HD2 LYS 16 HD2 LYS 16 48.759 12.119 -0.452 164 HD3 LYS 16 HD1 LYS 16 48.379 11.853 -2.171 165 HE2 LYS 16 HE2 LYS 16 49.520 14.423 -0.988 166 HE3 LYS 16 HE1 LYS 16 50.442 13.207 -1.904 167 HZ1 LYS 16 HZ1 LYS 16 48.279 13.754 -3.483 168 HZ2 LYS 16 HZ2 LYS 16 49.853 14.355 -3.700 169 HZ3 LYS 16 HZ3 LYS 16 48.697 15.273 -2.858 170 H ILE 17 HN ILE 17 43.831 11.889 -2.397 171 HA ILE 17 HA ILE 17 43.807 14.308 -3.967 172 HB ILE 17 HB ILE 17 43.792 11.858 -4.801 173 HG12 ILE 17 HG12 ILE 17 41.722 13.721 -6.061 174 HG13 ILE 17 HG11 ILE 17 43.477 13.917 -6.252 175 HG21 ILE 17 HG21 ILE 17 41.749 11.285 -3.359 176 HG22 ILE 17 HG22 ILE 17 41.699 10.725 -5.047 177 HG23 ILE 17 HG23 ILE 17 40.773 12.164 -4.560 178 HD11 ILE 17 HD1 ILE 17 43.486 11.467 -7.091 179 HD12 ILE 17 HD2 ILE 17 42.786 12.694 -8.172 180 HD13 ILE 17 HD3 ILE 17 41.719 11.637 -7.219 181 H ILE 18 HN ILE 18 42.094 13.639 -1.274 182 HA ILE 18 HA ILE 18 40.157 14.516 -0.360 183 HB ILE 18 HB ILE 18 39.991 16.386 -2.763 184 HG12 ILE 18 HG12 ILE 18 41.675 16.648 -0.228 185 HG13 ILE 18 HG11 ILE 18 42.303 16.415 -1.876 186 HG21 ILE 18 HG21 ILE 18 38.814 17.834 -1.265 187 HG22 ILE 18 HG22 ILE 18 39.296 16.882 0.159 188 HG23 ILE 18 HG23 ILE 18 38.121 16.218 -1.000 189 HD11 ILE 18 HD1 ILE 18 42.465 18.757 -1.522 190 HD12 ILE 18 HD2 ILE 18 40.882 18.835 -0.716 191 HD13 ILE 18 HD3 ILE 18 40.973 18.574 -2.476 192 H GLY 19 HN GLY 19 38.907 12.679 -0.581 193 HA2 GLY 19 HA1 GLY 19 37.331 12.369 -3.108 194 HA3 GLY 19 HA2 GLY 19 37.516 11.168 -1.814 195 H GLY 20 HN GLY 20 35.496 13.496 -3.184 196 HA2 GLY 20 HA1 GLY 20 33.498 14.449 -2.458 197 HA3 GLY 20 HA2 GLY 20 33.327 12.970 -1.482 198 H ALA 21 HN ALA 21 35.122 16.091 -1.472 199 HA ALA 21 HA ALA 21 35.645 17.464 0.326 200 HB1 ALA 21 HB1 ALA 21 33.273 16.219 1.751 201 HB2 ALA 21 HB2 ALA 21 33.094 17.435 0.465 202 HB3 ALA 21 HB3 ALA 21 33.956 17.848 1.966 203 H ALA 22 HN ALA 22 36.487 14.585 0.081 204 HA ALA 22 HA ALA 22 37.869 13.151 1.236 205 HB1 ALA 22 HB1 ALA 22 37.889 15.077 3.580 206 HB2 ALA 22 HB2 ALA 22 38.809 15.403 2.091 207 HB3 ALA 22 HB3 ALA 22 39.159 13.947 3.053 208 H LEU 23 HN LEU 23 34.834 13.968 2.022 209 HA LEU 23 HA LEU 23 34.323 11.498 3.385 210 HB2 LEU 23 HB2 LEU 23 35.348 12.908 5.260 211 HB3 LEU 23 HB1 LEU 23 33.929 13.966 5.113 212 HG LEU 23 HG LEU 23 32.537 11.733 5.383 213 HD11 LEU 23 HD11 LEU 23 33.746 10.109 6.915 214 HD12 LEU 23 HD12 LEU 23 35.265 10.935 6.504 215 HD13 LEU 23 HD13 LEU 23 34.333 10.101 5.239 216 HD21 LEU 23 HD21 LEU 23 34.104 12.936 7.710 217 HD22 LEU 23 HD22 LEU 23 32.608 11.982 7.853 218 HD23 LEU 23 HD23 LEU 23 32.580 13.566 7.041 219 H ASP 24 HN ASP 24 33.190 12.033 1.231 220 HA ASP 24 HA ASP 24 30.389 12.268 1.793 221 HB2 ASP 24 HB2 ASP 24 31.066 14.722 1.959 222 HB3 ASP 24 HB1 ASP 24 31.521 14.638 0.240 223 H HIS 25 HN HIS 25 32.791 10.991 0.323 224 HA HIS 25 HA HIS 25 32.072 11.150 -2.499 225 HB2 HIS 25 HB2 HIS 25 33.800 9.463 -2.794 226 HB3 HIS 25 HB1 HIS 25 34.384 10.690 -1.643 227 HD1 HIS 25 HD1 HIS 25 34.842 9.982 0.767 228 HD2 HIS 25 HD2 HIS 25 33.175 6.924 -1.588 229 HE1 HIS 25 HE1 HIS 25 34.951 7.825 2.131 230 H LEU 26 HN LEU 26 30.323 9.963 -0.059 231 HA LEU 26 HA LEU 26 29.760 7.256 -0.733 232 HB2 LEU 26 HB2 LEU 26 28.121 9.475 0.537 233 HB3 LEU 26 HB1 LEU 26 27.426 7.861 0.264 234 HG LEU 26 HG LEU 26 29.325 6.861 1.558 235 HD11 LEU 26 HD11 LEU 26 30.602 8.569 3.031 236 HD12 LEU 26 HD12 LEU 26 30.065 9.798 1.861 237 HD13 LEU 26 HD13 LEU 26 31.092 8.446 1.327 238 HD21 LEU 26 HD21 LEU 26 27.155 7.432 2.638 239 HD22 LEU 26 HD22 LEU 26 27.786 9.051 3.025 240 HD23 LEU 26 HD23 LEU 26 28.517 7.609 3.769 Start of MODEL 62 1 H1 GLY 1 HT1 GLY 1 57.018 -3.082 0.007 2 H2 GLY 1 HT2 GLY 1 58.115 -1.796 -0.162 3 H3 GLY 1 HT3 GLY 1 56.978 -2.115 -1.383 4 HA2 GLY 1 HA1 GLY 1 55.406 -0.978 -0.414 5 HA3 GLY 1 HA2 GLY 1 55.767 -1.733 1.151 6 H ARG 2 HN ARG 2 57.260 0.566 -1.172 7 HA ARG 2 HA ARG 2 57.338 2.707 0.745 8 HB2 ARG 2 HB2 ARG 2 59.860 2.760 1.020 9 HB3 ARG 2 HB1 ARG 2 59.036 1.457 1.911 10 HG2 ARG 2 HG2 ARG 2 59.598 -0.158 0.162 11 HG3 ARG 2 HG1 ARG 2 60.315 1.130 -0.838 12 HD2 ARG 2 HD2 ARG 2 62.039 -0.181 0.417 13 HD3 ARG 2 HD1 ARG 2 62.034 1.542 0.862 14 HE ARG 2 HE ARG 2 60.306 0.066 2.633 15 HH11 ARG 2 HH11 ARG 2 61.284 1.143 4.626 16 HH12 ARG 2 HH12 ARG 2 62.889 0.602 4.992 17 HH21 ARG 2 HH21 ARG 2 63.387 -0.866 1.889 18 HH22 ARG 2 HH22 ARG 2 64.079 -0.535 3.442 19 H ARG 3 HN ARG 3 56.540 2.380 -1.937 20 HA ARG 3 HA ARG 3 58.455 3.111 -3.882 21 HB2 ARG 3 HB2 ARG 3 56.041 2.461 -4.278 22 HB3 ARG 3 HB1 ARG 3 55.584 4.107 -3.779 23 HG2 ARG 3 HG2 ARG 3 57.020 5.051 -5.564 24 HG3 ARG 3 HG1 ARG 3 57.475 3.406 -6.068 25 HD2 ARG 3 HD2 ARG 3 55.057 2.909 -6.496 26 HD3 ARG 3 HD1 ARG 3 54.670 4.600 -6.099 27 HE ARG 3 HE ARG 3 56.659 4.699 -8.093 28 HH11 ARG 3 HH11 ARG 3 53.549 3.277 -7.680 29 HH12 ARG 3 HH12 ARG 3 53.067 3.526 -9.325 30 HH21 ARG 3 HH21 ARG 3 56.018 5.112 -10.224 31 HH22 ARG 3 HH22 ARG 3 54.465 4.566 -10.766 32 H LYS 4 HN LYS 4 56.836 5.043 -1.411 33 HA LYS 4 HA LYS 4 58.760 7.208 -1.823 34 HB2 LYS 4 HB2 LYS 4 56.972 7.593 -3.609 35 HB3 LYS 4 HB1 LYS 4 55.828 7.879 -2.275 36 HG2 LYS 4 HG2 LYS 4 57.229 9.711 -1.423 37 HG3 LYS 4 HG1 LYS 4 58.445 9.394 -2.686 38 HD2 LYS 4 HD2 LYS 4 56.599 9.803 -4.405 39 HD3 LYS 4 HD1 LYS 4 55.592 10.391 -3.060 40 HE2 LYS 4 HE2 LYS 4 57.398 12.047 -2.497 41 HE3 LYS 4 HE1 LYS 4 58.286 11.513 -3.944 42 HZ1 LYS 4 HZ1 LYS 4 55.495 12.538 -4.004 43 HZ2 LYS 4 HZ2 LYS 4 56.509 12.226 -5.331 44 HZ3 LYS 4 HZ3 LYS 4 56.858 13.510 -4.273 45 H ARG 5 HN ARG 5 58.941 6.134 0.380 46 HA ARG 5 HA ARG 5 58.623 6.247 2.672 47 HB2 ARG 5 HB2 ARG 5 57.586 8.999 1.886 48 HB3 ARG 5 HB1 ARG 5 57.929 8.493 3.557 49 HG2 ARG 5 HG2 ARG 5 60.280 7.967 2.887 50 HG3 ARG 5 HG1 ARG 5 59.923 8.572 1.250 51 HD2 ARG 5 HD2 ARG 5 59.241 10.775 2.307 52 HD3 ARG 5 HD1 ARG 5 59.854 10.151 3.857 53 HE ARG 5 HE ARG 5 61.974 9.794 2.087 54 HH11 ARG 5 HH11 ARG 5 60.247 12.272 3.688 55 HH12 ARG 5 HH12 ARG 5 61.320 13.540 3.196 56 HH21 ARG 5 HH21 ARG 5 63.250 11.485 1.178 57 HH22 ARG 5 HH22 ARG 5 63.020 13.094 1.775 58 H LYS 6 HN LYS 6 56.002 8.452 2.737 59 HA LYS 6 HA LYS 6 53.922 6.321 2.690 60 HB2 LYS 6 HB2 LYS 6 54.518 8.008 5.156 61 HB3 LYS 6 HB1 LYS 6 53.108 6.942 4.948 62 HG2 LYS 6 HG2 LYS 6 54.765 5.037 4.525 63 HG3 LYS 6 HG1 LYS 6 56.045 6.147 5.074 64 HD2 LYS 6 HD2 LYS 6 54.765 6.481 7.214 65 HD3 LYS 6 HD1 LYS 6 53.613 5.238 6.671 66 HE2 LYS 6 HE2 LYS 6 56.615 4.798 6.979 67 HE3 LYS 6 HE1 LYS 6 55.393 4.320 8.182 68 HZ1 LYS 6 HZ1 LYS 6 54.317 3.000 6.395 69 HZ2 LYS 6 HZ2 LYS 6 55.874 2.452 6.801 70 HZ3 LYS 6 HZ3 LYS 6 55.630 3.349 5.380 71 H TRP 7 HN TRP 7 53.868 7.995 0.755 72 HA TRP 7 HA TRP 7 51.570 9.731 1.334 73 HB2 TRP 7 HB2 TRP 7 54.223 10.941 0.448 74 HB3 TRP 7 HB1 TRP 7 52.660 11.790 0.437 75 HD1 TRP 7 HD1 TRP 7 55.427 10.609 2.731 76 HE1 TRP 7 HE1 TRP 7 55.029 11.485 5.146 77 HE3 TRP 7 HE3 TRP 7 50.690 12.461 2.144 78 HZ2 TRP 7 HZ2 TRP 7 52.921 12.811 6.596 79 HZ3 TRP 7 HZ3 TRP 7 49.506 13.528 4.057 80 HH2 TRP 7 HH2 TRP 7 50.617 13.704 6.280 81 H LEU 8 HN LEU 8 52.730 7.435 -0.404 82 HA LEU 8 HA LEU 8 52.615 8.506 -3.123 83 HB2 LEU 8 HB2 LEU 8 52.393 5.920 -3.619 84 HB3 LEU 8 HB1 LEU 8 53.928 6.567 -3.003 85 HG LEU 8 HG LEU 8 51.904 5.720 -0.922 86 HD11 LEU 8 HD11 LEU 8 53.487 3.724 -2.601 87 HD12 LEU 8 HD12 LEU 8 51.714 3.868 -2.521 88 HD13 LEU 8 HD13 LEU 8 52.631 3.342 -1.089 89 HD21 LEU 8 HD21 LEU 8 54.870 5.045 -1.101 90 HD22 LEU 8 HD22 LEU 8 53.845 5.186 0.348 91 HD23 LEU 8 HD23 LEU 8 54.314 6.644 -0.555 92 H ARG 9 HN ARG 9 50.786 5.620 -2.571 93 HA ARG 9 HA ARG 9 48.192 7.110 -2.895 94 HB2 ARG 9 HB2 ARG 9 49.227 4.767 -4.540 95 HB3 ARG 9 HB1 ARG 9 47.518 5.253 -4.503 96 HG2 ARG 9 HG2 ARG 9 49.666 7.312 -5.141 97 HG3 ARG 9 HG1 ARG 9 49.105 6.198 -6.405 98 HD2 ARG 9 HD2 ARG 9 46.737 6.942 -5.925 99 HD3 ARG 9 HD1 ARG 9 47.396 8.164 -4.814 100 HE ARG 9 HE ARG 9 48.717 8.444 -7.323 101 HH11 ARG 9 HH11 ARG 9 46.795 8.552 -9.085 102 HH12 ARG 9 HH12 ARG 9 45.749 9.891 -8.748 103 HH21 ARG 9 HH21 ARG 9 46.860 10.279 -5.487 104 HH22 ARG 9 HH22 ARG 9 45.787 10.868 -6.711 105 H ARG 10 HN ARG 10 49.873 5.432 -0.821 106 HA ARG 10 HA ARG 10 48.417 3.045 -0.283 107 HB2 ARG 10 HB2 ARG 10 49.329 3.244 1.997 108 HB3 ARG 10 HB1 ARG 10 50.571 3.648 0.785 109 HG2 ARG 10 HG2 ARG 10 49.748 6.132 1.116 110 HG3 ARG 10 HG1 ARG 10 49.021 5.513 2.619 111 HD2 ARG 10 HD2 ARG 10 51.962 5.320 1.835 112 HD3 ARG 10 HD1 ARG 10 51.269 6.405 3.064 113 HE ARG 10 HE ARG 10 50.902 4.496 4.503 114 HH11 ARG 10 HH11 ARG 10 53.628 4.033 2.931 115 HH12 ARG 10 HH12 ARG 10 53.544 2.312 2.755 116 HH21 ARG 10 HH21 ARG 10 50.197 2.120 3.641 117 HH22 ARG 10 HH22 ARG 10 51.601 1.230 3.157 118 H ILE 11 HN ILE 11 47.986 6.369 0.913 119 HA ILE 11 HA ILE 11 45.133 5.703 1.571 120 HB ILE 11 HB ILE 11 47.268 6.996 3.291 121 HG12 ILE 11 HG12 ILE 11 46.215 4.620 3.578 122 HG13 ILE 11 HG11 ILE 11 46.400 5.641 5.017 123 HG21 ILE 11 HG21 ILE 11 44.358 7.879 3.238 124 HG22 ILE 11 HG22 ILE 11 45.824 8.882 3.173 125 HG23 ILE 11 HG23 ILE 11 45.381 8.057 4.683 126 HD11 ILE 11 HD1 ILE 11 44.132 4.422 4.700 127 HD12 ILE 11 HD2 ILE 11 43.800 5.616 3.428 128 HD13 ILE 11 HD3 ILE 11 44.075 6.150 5.100 129 H GLY 12 HN GLY 12 47.596 7.671 0.192 130 HA2 GLY 12 HA1 GLY 12 46.218 10.148 -0.047 131 HA3 GLY 12 HA2 GLY 12 47.451 9.542 -1.173 132 H LYS 13 HN LYS 13 45.968 7.116 -1.847 133 HA LYS 13 HA LYS 13 44.544 8.027 -4.111 134 HB2 LYS 13 HB2 LYS 13 45.310 5.682 -3.742 135 HB3 LYS 13 HB1 LYS 13 44.037 5.484 -2.514 136 HG2 LYS 13 HG2 LYS 13 42.290 5.768 -4.137 137 HG3 LYS 13 HG1 LYS 13 43.435 6.346 -5.372 138 HD2 LYS 13 HD2 LYS 13 42.753 3.970 -5.746 139 HD3 LYS 13 HD1 LYS 13 44.501 4.134 -5.463 140 HE2 LYS 13 HE2 LYS 13 44.348 3.267 -3.260 141 HE3 LYS 13 HE1 LYS 13 42.594 3.555 -3.167 142 HZ1 LYS 13 HZ1 LYS 13 42.319 1.880 -4.940 143 HZ2 LYS 13 HZ2 LYS 13 43.004 1.235 -3.524 144 HZ3 LYS 13 HZ3 LYS 13 43.983 1.552 -4.876 145 H GLY 14 HN GLY 14 43.726 8.191 -0.811 146 HA2 GLY 14 HA1 GLY 14 40.795 8.466 -1.397 147 HA3 GLY 14 HA2 GLY 14 41.521 8.161 0.191 148 H VAL 15 HN VAL 15 43.515 10.084 0.349 149 HA VAL 15 HA VAL 15 41.807 12.552 0.508 150 HB VAL 15 HB VAL 15 42.825 11.917 2.614 151 HG11 VAL 15 HG11 VAL 15 44.674 10.551 1.681 152 HG12 VAL 15 HG12 VAL 15 45.262 11.723 2.884 153 HG13 VAL 15 HG13 VAL 15 45.491 12.040 1.148 154 HG21 VAL 15 HG21 VAL 15 44.509 14.200 1.501 155 HG22 VAL 15 HG22 VAL 15 43.954 13.964 3.175 156 HG23 VAL 15 HG23 VAL 15 42.784 14.374 1.900 157 H LYS 16 HN LYS 16 44.892 11.331 -0.820 158 HA LYS 16 HA LYS 16 45.708 13.932 -1.818 159 HB2 LYS 16 HB2 LYS 16 47.236 11.942 -1.413 160 HB3 LYS 16 HB1 LYS 16 46.554 11.213 -2.886 161 HG2 LYS 16 HG2 LYS 16 47.234 13.227 -4.183 162 HG3 LYS 16 HG1 LYS 16 47.965 13.911 -2.710 163 HD2 LYS 16 HD2 LYS 16 49.403 11.829 -2.558 164 HD3 LYS 16 HD1 LYS 16 48.777 11.354 -4.156 165 HE2 LYS 16 HE2 LYS 16 50.936 12.536 -4.384 166 HE3 LYS 16 HE1 LYS 16 49.618 13.483 -5.115 167 HZ1 LYS 16 HZ1 LYS 16 51.360 14.478 -3.358 168 HZ2 LYS 16 HZ2 LYS 16 50.129 13.986 -2.295 169 HZ3 LYS 16 HZ3 LYS 16 49.785 15.076 -3.553 170 H ILE 17 HN ILE 17 43.721 11.278 -3.038 171 HA ILE 17 HA ILE 17 43.719 11.989 -5.793 172 HB ILE 17 HB ILE 17 42.727 9.881 -4.820 173 HG12 ILE 17 HG12 ILE 17 40.848 11.562 -6.547 174 HG13 ILE 17 HG11 ILE 17 42.255 10.655 -7.147 175 HG21 ILE 17 HG21 ILE 17 40.573 9.898 -3.782 176 HG22 ILE 17 HG22 ILE 17 40.282 11.595 -4.230 177 HG23 ILE 17 HG23 ILE 17 41.484 11.198 -2.979 178 HD11 ILE 17 HD1 ILE 17 40.408 9.204 -7.529 179 HD12 ILE 17 HD2 ILE 17 39.682 9.572 -5.947 180 HD13 ILE 17 HD3 ILE 17 41.156 8.577 -6.042 181 H ILE 18 HN ILE 18 42.137 13.442 -3.013 182 HA ILE 18 HA ILE 18 41.372 15.746 -4.637 183 HB ILE 18 HB ILE 18 39.492 14.091 -5.093 184 HG12 ILE 18 HG12 ILE 18 38.743 16.622 -3.555 185 HG13 ILE 18 HG11 ILE 18 39.235 16.572 -5.265 186 HG21 ILE 18 HG21 ILE 18 38.637 14.654 -2.228 187 HG22 ILE 18 HG22 ILE 18 39.585 13.209 -2.651 188 HG23 ILE 18 HG23 ILE 18 37.977 13.460 -3.371 189 HD11 ILE 18 HD1 ILE 18 37.309 14.880 -5.601 190 HD12 ILE 18 HD2 ILE 18 36.849 16.574 -5.310 191 HD13 ILE 18 HD3 ILE 18 36.743 15.386 -3.992 192 H GLY 19 HN GLY 19 40.981 13.947 -1.569 193 HA2 GLY 19 HA1 GLY 19 40.852 14.723 0.607 194 HA3 GLY 19 HA2 GLY 19 42.105 15.869 0.091 195 H GLY 20 HN GLY 20 38.565 15.375 -0.225 196 HA2 GLY 20 HA1 GLY 20 37.990 17.912 1.041 197 HA3 GLY 20 HA2 GLY 20 37.818 18.019 -0.723 198 H ALA 21 HN ALA 21 36.497 16.209 -1.742 199 HA ALA 21 HA ALA 21 33.867 16.279 -0.701 200 HB1 ALA 21 HB1 ALA 21 35.181 14.231 -2.522 201 HB2 ALA 21 HB2 ALA 21 34.332 15.713 -3.023 202 HB3 ALA 21 HB3 ALA 21 33.428 14.383 -2.259 203 H ALA 22 HN ALA 22 36.465 13.874 -0.317 204 HA ALA 22 HA ALA 22 34.778 12.146 1.378 205 HB1 ALA 22 HB1 ALA 22 36.883 10.844 1.630 206 HB2 ALA 22 HB2 ALA 22 37.739 12.094 0.696 207 HB3 ALA 22 HB3 ALA 22 36.453 11.132 -0.073 208 H LEU 23 HN LEU 23 37.279 14.625 1.723 209 HA LEU 23 HA LEU 23 37.646 14.146 4.585 210 HB2 LEU 23 HB2 LEU 23 39.304 15.218 2.878 211 HB3 LEU 23 HB1 LEU 23 38.354 16.702 3.108 212 HG LEU 23 HG LEU 23 38.720 16.165 5.710 213 HD11 LEU 23 HD11 LEU 23 40.969 15.153 6.103 214 HD12 LEU 23 HD12 LEU 23 41.073 14.749 4.374 215 HD13 LEU 23 HD13 LEU 23 39.831 13.987 5.393 216 HD21 LEU 23 HD21 LEU 23 40.878 17.476 5.614 217 HD22 LEU 23 HD22 LEU 23 39.559 18.193 4.658 218 HD23 LEU 23 HD23 LEU 23 40.857 17.287 3.844 219 H ASP 24 HN ASP 24 34.885 14.492 3.733 220 HA ASP 24 HA ASP 24 34.052 16.349 5.781 221 HB2 ASP 24 HB2 ASP 24 34.709 18.006 4.048 222 HB3 ASP 24 HB1 ASP 24 33.579 17.237 2.907 223 H HIS 25 HN HIS 25 33.454 14.270 3.039 224 HA HIS 25 HA HIS 25 31.613 12.979 2.461 225 HB2 HIS 25 HB2 HIS 25 32.148 12.080 4.754 226 HB3 HIS 25 HB1 HIS 25 30.922 13.187 5.417 227 HD1 HIS 25 HD1 HIS 25 31.022 10.732 2.441 228 HD2 HIS 25 HD2 HIS 25 28.582 11.767 5.705 229 HE1 HIS 25 HE1 HIS 25 28.925 9.279 2.315 230 H LEU 26 HN LEU 26 30.716 14.736 1.219 231 HA LEU 26 HA LEU 26 27.984 15.290 1.983 232 HB2 LEU 26 HB2 LEU 26 28.909 16.957 3.459 233 HB3 LEU 26 HB1 LEU 26 30.021 17.541 2.203 234 HG LEU 26 HG LEU 26 28.192 18.461 0.903 235 HD11 LEU 26 HD11 LEU 26 26.449 16.932 2.876 236 HD12 LEU 26 HD12 LEU 26 26.451 16.842 1.098 237 HD13 LEU 26 HD13 LEU 26 25.807 18.285 1.912 238 HD21 LEU 26 HD21 LEU 26 27.686 19.062 3.852 239 HD22 LEU 26 HD22 LEU 26 27.318 20.124 2.471 240 HD23 LEU 26 HD23 LEU 26 29.009 19.762 2.889 Start of MODEL 63 1 H1 GLY 1 HT1 GLY 1 53.756 -1.921 -0.539 2 H2 GLY 1 HT2 GLY 1 53.435 -0.267 -0.320 3 H3 GLY 1 HT3 GLY 1 54.690 -1.016 0.547 4 HA2 GLY 1 HA1 GLY 1 55.245 -1.549 -2.058 5 HA3 GLY 1 HA2 GLY 1 54.691 0.137 -2.030 6 H ARG 2 HN ARG 2 55.546 0.950 0.483 7 HA ARG 2 HA ARG 2 57.436 1.887 1.447 8 HB2 ARG 2 HB2 ARG 2 58.687 -0.786 0.700 9 HB3 ARG 2 HB1 ARG 2 59.296 0.359 1.919 10 HG2 ARG 2 HG2 ARG 2 57.290 0.082 3.271 11 HG3 ARG 2 HG1 ARG 2 56.530 -0.919 2.009 12 HD2 ARG 2 HD2 ARG 2 57.445 -2.367 3.769 13 HD3 ARG 2 HD1 ARG 2 58.373 -2.590 2.266 14 HE ARG 2 HE ARG 2 59.548 -0.564 4.003 15 HH11 ARG 2 HH11 ARG 2 61.796 -1.144 4.166 16 HH12 ARG 2 HH12 ARG 2 62.171 -2.791 4.547 17 HH21 ARG 2 HH21 ARG 2 58.911 -3.902 4.149 18 HH22 ARG 2 HH22 ARG 2 60.537 -4.353 4.538 19 H ARG 3 HN ARG 3 56.963 2.240 -1.455 20 HA ARG 3 HA ARG 3 59.449 2.115 -2.882 21 HB2 ARG 3 HB2 ARG 3 57.136 2.455 -3.866 22 HB3 ARG 3 HB1 ARG 3 57.217 4.139 -3.294 23 HG2 ARG 3 HG2 ARG 3 59.314 4.464 -4.598 24 HG3 ARG 3 HG1 ARG 3 59.180 2.795 -5.203 25 HD2 ARG 3 HD2 ARG 3 57.130 5.016 -5.622 26 HD3 ARG 3 HD1 ARG 3 58.258 4.390 -6.849 27 HE ARG 3 HE ARG 3 56.708 2.223 -5.766 28 HH11 ARG 3 HH11 ARG 3 57.053 4.471 -8.287 29 HH12 ARG 3 HH12 ARG 3 55.541 4.094 -9.042 30 HH21 ARG 3 HH21 ARG 3 54.510 1.954 -6.515 31 HH22 ARG 3 HH22 ARG 3 54.101 2.669 -8.040 32 H LYS 4 HN LYS 4 57.896 4.688 -0.945 33 HA LYS 4 HA LYS 4 60.502 5.826 -0.285 34 HB2 LYS 4 HB2 LYS 4 59.789 8.135 -1.280 35 HB3 LYS 4 HB1 LYS 4 60.471 6.914 -2.382 36 HG2 LYS 4 HG2 LYS 4 58.318 6.304 -3.223 37 HG3 LYS 4 HG1 LYS 4 57.474 7.165 -1.915 38 HD2 LYS 4 HD2 LYS 4 58.075 9.309 -2.795 39 HD3 LYS 4 HD1 LYS 4 59.276 8.604 -3.902 40 HE2 LYS 4 HE2 LYS 4 57.491 7.500 -5.182 41 HE3 LYS 4 HE1 LYS 4 56.268 8.112 -4.044 42 HZ1 LYS 4 HZ1 LYS 4 56.666 10.313 -4.716 43 HZ2 LYS 4 HZ2 LYS 4 56.607 9.424 -6.163 44 HZ3 LYS 4 HZ3 LYS 4 58.103 9.915 -5.524 45 H ARG 5 HN ARG 5 59.467 5.204 1.757 46 HA ARG 5 HA ARG 5 58.249 5.703 3.675 47 HB2 ARG 5 HB2 ARG 5 58.524 8.517 2.543 48 HB3 ARG 5 HB1 ARG 5 58.037 8.125 4.210 49 HG2 ARG 5 HG2 ARG 5 60.177 6.994 4.608 50 HG3 ARG 5 HG1 ARG 5 60.664 7.270 2.918 51 HD2 ARG 5 HD2 ARG 5 61.689 8.962 4.397 52 HD3 ARG 5 HD1 ARG 5 60.524 9.725 3.288 53 HE ARG 5 HE ARG 5 59.251 8.995 5.784 54 HH11 ARG 5 HH11 ARG 5 61.341 11.250 4.225 55 HH12 ARG 5 HH12 ARG 5 60.967 12.549 5.307 56 HH21 ARG 5 HH21 ARG 5 58.764 10.674 7.218 57 HH22 ARG 5 HH22 ARG 5 59.508 12.222 7.002 58 H LYS 6 HN LYS 6 56.252 7.178 4.465 59 HA LYS 6 HA LYS 6 54.023 6.307 2.729 60 HB2 LYS 6 HB2 LYS 6 53.875 7.847 5.345 61 HB3 LYS 6 HB1 LYS 6 52.616 6.837 4.592 62 HG2 LYS 6 HG2 LYS 6 54.080 4.838 4.860 63 HG3 LYS 6 HG1 LYS 6 55.297 5.857 5.666 64 HD2 LYS 6 HD2 LYS 6 53.502 6.501 7.348 65 HD3 LYS 6 HD1 LYS 6 52.471 5.245 6.620 66 HE2 LYS 6 HE2 LYS 6 55.260 4.739 7.749 67 HE3 LYS 6 HE1 LYS 6 53.746 4.438 8.636 68 HZ1 LYS 6 HZ1 LYS 6 53.266 3.180 6.323 69 HZ2 LYS 6 HZ2 LYS 6 53.922 2.422 7.695 70 HZ3 LYS 6 HZ3 LYS 6 54.941 2.954 6.444 71 H TRP 7 HN TRP 7 54.285 7.680 0.908 72 HA TRP 7 HA TRP 7 52.917 10.249 1.237 73 HB2 TRP 7 HB2 TRP 7 55.254 10.857 1.858 74 HB3 TRP 7 HB1 TRP 7 55.806 10.257 0.275 75 HD1 TRP 7 HD1 TRP 7 53.189 12.785 1.634 76 HE1 TRP 7 HE1 TRP 7 53.073 14.822 0.022 77 HE3 TRP 7 HE3 TRP 7 56.520 11.196 -1.914 78 HZ2 TRP 7 HZ2 TRP 7 54.280 15.623 -2.466 79 HZ3 TRP 7 HZ3 TRP 7 57.022 12.614 -3.900 80 HH2 TRP 7 HH2 TRP 7 55.907 14.823 -4.178 81 H LEU 8 HN LEU 8 53.801 7.515 -0.466 82 HA LEU 8 HA LEU 8 53.774 8.489 -3.171 83 HB2 LEU 8 HB2 LEU 8 52.886 6.007 -3.572 84 HB3 LEU 8 HB1 LEU 8 54.560 6.294 -3.054 85 HG LEU 8 HG LEU 8 52.513 6.024 -0.847 86 HD11 LEU 8 HD11 LEU 8 51.783 4.222 -2.336 87 HD12 LEU 8 HD12 LEU 8 52.651 3.533 -0.941 88 HD13 LEU 8 HD13 LEU 8 53.460 3.658 -2.522 89 HD21 LEU 8 HD21 LEU 8 55.203 4.623 -1.115 90 HD22 LEU 8 HD22 LEU 8 54.340 5.113 0.362 91 HD23 LEU 8 HD23 LEU 8 55.111 6.342 -0.667 92 H ARG 9 HN ARG 9 51.226 6.244 -2.196 93 HA ARG 9 HA ARG 9 49.068 8.151 -2.239 94 HB2 ARG 9 HB2 ARG 9 49.936 8.055 -4.723 95 HB3 ARG 9 HB1 ARG 9 49.150 6.465 -4.762 96 HG2 ARG 9 HG2 ARG 9 47.375 7.813 -5.478 97 HG3 ARG 9 HG1 ARG 9 47.078 7.818 -3.726 98 HD2 ARG 9 HD2 ARG 9 46.931 10.108 -4.545 99 HD3 ARG 9 HD1 ARG 9 48.415 9.961 -3.576 100 HE ARG 9 HE ARG 9 49.187 9.416 -6.218 101 HH11 ARG 9 HH11 ARG 9 50.819 11.325 -6.099 102 HH12 ARG 9 HH12 ARG 9 50.067 12.858 -6.392 103 HH21 ARG 9 HH21 ARG 9 46.848 11.672 -5.892 104 HH22 ARG 9 HH22 ARG 9 47.818 13.055 -6.274 105 H ARG 10 HN ARG 10 50.144 5.734 -0.860 106 HA ARG 10 HA ARG 10 48.657 3.409 -1.360 107 HB2 ARG 10 HB2 ARG 10 48.690 3.315 1.345 108 HB3 ARG 10 HB1 ARG 10 50.162 3.076 0.378 109 HG2 ARG 10 HG2 ARG 10 50.902 5.318 0.734 110 HG3 ARG 10 HG1 ARG 10 49.318 5.832 1.353 111 HD2 ARG 10 HD2 ARG 10 50.969 3.679 2.732 112 HD3 ARG 10 HD1 ARG 10 51.175 5.407 3.100 113 HE ARG 10 HE ARG 10 48.836 3.742 3.802 114 HH11 ARG 10 HH11 ARG 10 49.880 6.917 3.018 115 HH12 ARG 10 HH12 ARG 10 48.884 7.689 4.208 116 HH21 ARG 10 HH21 ARG 10 47.679 4.713 5.515 117 HH22 ARG 10 HH22 ARG 10 47.638 6.440 5.621 118 H ILE 11 HN ILE 11 47.662 5.188 1.535 119 HA ILE 11 HA ILE 11 44.847 4.632 0.862 120 HB ILE 11 HB ILE 11 46.358 5.684 3.266 121 HG12 ILE 11 HG12 ILE 11 45.707 3.203 2.760 122 HG13 ILE 11 HG11 ILE 11 45.430 3.832 4.395 123 HG21 ILE 11 HG21 ILE 11 44.079 6.102 4.390 124 HG22 ILE 11 HG22 ILE 11 43.405 6.187 2.745 125 HG23 ILE 11 HG23 ILE 11 44.656 7.342 3.256 126 HD11 ILE 11 HD1 ILE 11 43.224 3.903 2.294 127 HD12 ILE 11 HD2 ILE 11 43.081 4.001 4.062 128 HD13 ILE 11 HD3 ILE 11 43.518 2.462 3.290 129 H GLY 12 HN GLY 12 47.137 7.219 0.513 130 HA2 GLY 12 HA1 GLY 12 45.442 9.476 0.618 131 HA3 GLY 12 HA2 GLY 12 46.860 9.319 -0.446 132 H LYS 13 HN LYS 13 45.958 7.086 -1.948 133 HA LYS 13 HA LYS 13 44.639 8.248 -4.109 134 HB2 LYS 13 HB2 LYS 13 45.654 5.963 -4.077 135 HB3 LYS 13 HB1 LYS 13 44.260 5.397 -3.124 136 HG2 LYS 13 HG2 LYS 13 42.725 5.932 -4.923 137 HG3 LYS 13 HG1 LYS 13 44.011 6.744 -5.842 138 HD2 LYS 13 HD2 LYS 13 43.564 4.453 -6.714 139 HD3 LYS 13 HD1 LYS 13 45.223 4.613 -6.090 140 HE2 LYS 13 HE2 LYS 13 43.838 2.499 -5.407 141 HE3 LYS 13 HE1 LYS 13 44.744 3.354 -4.138 142 HZ1 LYS 13 HZ1 LYS 13 41.964 4.144 -4.718 143 HZ2 LYS 13 HZ2 LYS 13 42.837 4.250 -3.264 144 HZ3 LYS 13 HZ3 LYS 13 42.249 2.747 -3.798 145 H GLY 14 HN GLY 14 43.314 7.000 -1.103 146 HA2 GLY 14 HA1 GLY 14 40.521 7.246 -2.032 147 HA3 GLY 14 HA2 GLY 14 41.082 6.737 -0.425 148 H VAL 15 HN VAL 15 42.804 8.879 0.190 149 HA VAL 15 HA VAL 15 40.738 10.970 0.751 150 HB VAL 15 HB VAL 15 43.575 10.727 1.830 151 HG11 VAL 15 HG11 VAL 15 42.589 12.207 3.630 152 HG12 VAL 15 HG12 VAL 15 41.143 12.382 2.609 153 HG13 VAL 15 HG13 VAL 15 42.718 12.978 2.032 154 HG21 VAL 15 HG21 VAL 15 42.430 9.841 3.880 155 HG22 VAL 15 HG22 VAL 15 42.265 8.757 2.478 156 HG23 VAL 15 HG23 VAL 15 40.902 9.793 2.966 157 H LYS 16 HN LYS 16 44.271 11.222 0.245 158 HA LYS 16 HA LYS 16 44.545 13.767 -0.592 159 HB2 LYS 16 HB2 LYS 16 46.316 11.937 -0.537 160 HB3 LYS 16 HB1 LYS 16 45.824 11.531 -2.198 161 HG2 LYS 16 HG2 LYS 16 46.297 13.858 -2.912 162 HG3 LYS 16 HG1 LYS 16 46.787 14.268 -1.251 163 HD2 LYS 16 HD2 LYS 16 48.537 12.444 -1.399 164 HD3 LYS 16 HD1 LYS 16 48.120 12.266 -3.121 165 HE2 LYS 16 HE2 LYS 16 50.078 13.774 -2.794 166 HE3 LYS 16 HE1 LYS 16 48.699 14.625 -3.530 167 HZ1 LYS 16 HZ1 LYS 16 48.173 15.647 -1.503 168 HZ2 LYS 16 HZ2 LYS 16 49.864 15.770 -1.613 169 HZ3 LYS 16 HZ3 LYS 16 49.159 14.603 -0.600 170 H ILE 17 HN ILE 17 43.206 11.194 -2.694 171 HA ILE 17 HA ILE 17 43.211 12.456 -5.165 172 HB ILE 17 HB ILE 17 42.270 10.228 -4.839 173 HG12 ILE 17 HG12 ILE 17 39.998 11.991 -5.860 174 HG13 ILE 17 HG11 ILE 17 41.512 11.794 -6.770 175 HG21 ILE 17 HG21 ILE 17 40.140 9.857 -3.733 176 HG22 ILE 17 HG22 ILE 17 39.873 11.607 -3.550 177 HG23 ILE 17 HG23 ILE 17 41.168 10.803 -2.634 178 HD11 ILE 17 HD1 ILE 17 39.950 10.166 -7.623 179 HD12 ILE 17 HD2 ILE 17 39.523 9.622 -5.986 180 HD13 ILE 17 HD3 ILE 17 41.139 9.274 -6.648 181 H ILE 18 HN ILE 18 41.727 13.686 -2.324 182 HA ILE 18 HA ILE 18 40.717 15.989 -3.821 183 HB ILE 18 HB ILE 18 38.829 14.361 -4.084 184 HG12 ILE 18 HG12 ILE 18 38.200 16.679 -2.195 185 HG13 ILE 18 HG11 ILE 18 38.498 16.857 -3.938 186 HG21 ILE 18 HG21 ILE 18 39.323 13.243 -1.821 187 HG22 ILE 18 HG22 ILE 18 37.609 13.546 -2.189 188 HG23 ILE 18 HG23 ILE 18 38.482 14.619 -1.070 189 HD11 ILE 18 HD1 ILE 18 36.207 15.410 -2.560 190 HD12 ILE 18 HD2 ILE 18 36.605 15.125 -4.272 191 HD13 ILE 18 HD3 ILE 18 36.125 16.750 -3.726 192 H GLY 19 HN GLY 19 41.090 14.186 -0.790 193 HA2 GLY 19 HA1 GLY 19 41.379 14.931 1.378 194 HA3 GLY 19 HA2 GLY 19 42.143 16.355 0.644 195 H GLY 20 HN GLY 20 38.802 15.042 0.880 196 HA2 GLY 20 HA1 GLY 20 37.925 17.272 2.514 197 HA3 GLY 20 HA2 GLY 20 37.435 17.469 0.820 198 H ALA 21 HN ALA 21 36.434 15.406 -0.171 199 HA ALA 21 HA ALA 21 33.995 14.877 1.096 200 HB1 ALA 21 HB1 ALA 21 33.785 12.969 -0.421 201 HB2 ALA 21 HB2 ALA 21 35.538 13.001 -0.728 202 HB3 ALA 21 HB3 ALA 21 34.514 14.354 -1.267 203 H ALA 22 HN ALA 22 36.992 12.911 1.184 204 HA ALA 22 HA ALA 22 35.808 11.061 3.154 205 HB1 ALA 22 HB1 ALA 22 37.970 9.946 3.055 206 HB2 ALA 22 HB2 ALA 22 38.670 11.320 2.165 207 HB3 ALA 22 HB3 ALA 22 37.413 10.313 1.405 208 H LEU 23 HN LEU 23 38.145 13.743 3.056 209 HA LEU 23 HA LEU 23 38.894 13.444 5.860 210 HB2 LEU 23 HB2 LEU 23 40.301 14.508 4.010 211 HB3 LEU 23 HB1 LEU 23 39.198 15.899 4.097 212 HG LEU 23 HG LEU 23 39.738 15.850 6.690 213 HD11 LEU 23 HD11 LEU 23 40.989 13.765 6.807 214 HD12 LEU 23 HD12 LEU 23 42.126 15.099 7.088 215 HD13 LEU 23 HD13 LEU 23 42.082 14.290 5.505 216 HD21 LEU 23 HD21 LEU 23 41.822 16.723 4.638 217 HD22 LEU 23 HD22 LEU 23 41.700 17.318 6.311 218 HD23 LEU 23 HD23 LEU 23 40.401 17.667 5.145 219 H ASP 24 HN ASP 24 36.490 13.288 6.454 220 HA ASP 24 HA ASP 24 35.780 15.790 7.745 221 HB2 ASP 24 HB2 ASP 24 33.643 16.187 6.613 222 HB3 ASP 24 HB1 ASP 24 34.981 16.291 5.443 223 H HIS 25 HN HIS 25 35.324 12.454 6.949 224 HA HIS 25 HA HIS 25 32.993 12.013 8.633 225 HB2 HIS 25 HB2 HIS 25 35.107 10.122 7.532 226 HB3 HIS 25 HB1 HIS 25 33.637 9.602 8.390 227 HD1 HIS 25 HD1 HIS 25 33.031 12.626 6.400 228 HD2 HIS 25 HD2 HIS 25 33.073 8.488 5.644 229 HE1 HIS 25 HE1 HIS 25 31.747 12.236 4.225 230 H LEU 26 HN LEU 26 32.987 12.252 10.763 231 HA LEU 26 HA LEU 26 35.425 12.276 12.326 232 HB2 LEU 26 HB2 LEU 26 32.630 11.895 13.448 233 HB3 LEU 26 HB1 LEU 26 34.025 12.713 14.191 234 HG LEU 26 HG LEU 26 32.427 13.661 11.770 235 HD11 LEU 26 HD11 LEU 26 32.850 14.932 14.508 236 HD12 LEU 26 HD12 LEU 26 31.422 13.961 14.073 237 HD13 LEU 26 HD13 LEU 26 31.754 15.489 13.222 238 HD21 LEU 26 HD21 LEU 26 34.701 14.293 11.345 239 HD22 LEU 26 HD22 LEU 26 34.994 14.682 13.057 240 HD23 LEU 26 HD23 LEU 26 33.945 15.729 12.072 Start of MODEL 64 1 H1 GLY 1 HT1 GLY 1 62.900 -0.051 -5.319 2 H2 GLY 1 HT2 GLY 1 61.368 0.652 -5.101 3 H3 GLY 1 HT3 GLY 1 61.793 -0.753 -4.244 4 HA2 GLY 1 HA1 GLY 1 62.851 0.333 -2.683 5 HA3 GLY 1 HA2 GLY 1 63.618 1.402 -3.873 6 H ARG 2 HN ARG 2 62.479 2.094 -1.284 7 HA ARG 2 HA ARG 2 59.893 3.249 -1.497 8 HB2 ARG 2 HB2 ARG 2 62.298 4.210 0.107 9 HB3 ARG 2 HB1 ARG 2 60.608 4.697 0.380 10 HG2 ARG 2 HG2 ARG 2 59.965 2.424 0.925 11 HG3 ARG 2 HG1 ARG 2 61.561 1.804 0.437 12 HD2 ARG 2 HD2 ARG 2 62.614 3.172 2.245 13 HD3 ARG 2 HD1 ARG 2 60.992 3.691 2.765 14 HE ARG 2 HE ARG 2 61.091 0.822 2.674 15 HH11 ARG 2 HH11 ARG 2 60.832 -0.105 4.743 16 HH12 ARG 2 HH12 ARG 2 61.603 0.650 6.099 17 HH21 ARG 2 HH21 ARG 2 62.714 3.385 4.280 18 HH22 ARG 2 HH22 ARG 2 62.667 2.626 5.836 19 H ARG 3 HN ARG 3 59.353 4.436 -3.242 20 HA ARG 3 HA ARG 3 61.196 6.332 -4.456 21 HB2 ARG 3 HB2 ARG 3 59.281 5.074 -5.605 22 HB3 ARG 3 HB1 ARG 3 58.180 6.219 -4.811 23 HG2 ARG 3 HG2 ARG 3 58.541 7.302 -6.863 24 HG3 ARG 3 HG1 ARG 3 59.788 8.066 -5.852 25 HD2 ARG 3 HD2 ARG 3 61.505 6.580 -6.760 26 HD3 ARG 3 HD1 ARG 3 60.281 5.639 -7.644 27 HE ARG 3 HE ARG 3 60.528 7.245 -9.337 28 HH11 ARG 3 HH11 ARG 3 59.167 9.471 -8.968 29 HH12 ARG 3 HH12 ARG 3 60.229 10.709 -8.383 30 HH21 ARG 3 HH21 ARG 3 62.705 8.490 -7.400 31 HH22 ARG 3 HH22 ARG 3 62.232 10.154 -7.497 32 H LYS 4 HN LYS 4 58.498 6.506 -2.152 33 HA LYS 4 HA LYS 4 59.360 9.279 -1.444 34 HB2 LYS 4 HB2 LYS 4 56.435 8.624 -1.960 35 HB3 LYS 4 HB1 LYS 4 57.169 10.215 -1.645 36 HG2 LYS 4 HG2 LYS 4 58.508 9.929 -3.775 37 HG3 LYS 4 HG1 LYS 4 57.551 8.465 -4.109 38 HD2 LYS 4 HD2 LYS 4 55.464 9.850 -3.961 39 HD3 LYS 4 HD1 LYS 4 56.478 11.299 -3.765 40 HE2 LYS 4 HE2 LYS 4 55.890 11.126 -6.112 41 HE3 LYS 4 HE1 LYS 4 57.611 10.699 -5.952 42 HZ1 LYS 4 HZ1 LYS 4 57.195 8.681 -6.734 43 HZ2 LYS 4 HZ2 LYS 4 55.604 9.165 -7.076 44 HZ3 LYS 4 HZ3 LYS 4 55.966 8.410 -5.598 45 H ARG 5 HN ARG 5 60.007 7.185 0.079 46 HA ARG 5 HA ARG 5 59.713 6.212 2.170 47 HB2 ARG 5 HB2 ARG 5 58.287 8.869 2.563 48 HB3 ARG 5 HB1 ARG 5 58.658 7.741 3.889 49 HG2 ARG 5 HG2 ARG 5 61.071 7.843 3.285 50 HG3 ARG 5 HG1 ARG 5 60.686 9.012 1.998 51 HD2 ARG 5 HD2 ARG 5 60.167 9.400 4.978 52 HD3 ARG 5 HD1 ARG 5 61.449 10.190 4.030 53 HE ARG 5 HE ARG 5 58.985 10.766 2.750 54 HH11 ARG 5 HH11 ARG 5 59.185 13.179 2.829 55 HH12 ARG 5 HH12 ARG 5 59.025 13.870 4.409 56 HH21 ARG 5 HH21 ARG 5 59.388 10.843 6.061 57 HH22 ARG 5 HH22 ARG 5 59.140 12.548 6.238 58 H LYS 6 HN LYS 6 56.719 7.905 2.744 59 HA LYS 6 HA LYS 6 55.077 5.537 1.958 60 HB2 LYS 6 HB2 LYS 6 54.924 6.690 4.768 61 HB3 LYS 6 HB1 LYS 6 54.138 5.224 4.132 62 HG2 LYS 6 HG2 LYS 6 56.442 4.259 3.725 63 HG3 LYS 6 HG1 LYS 6 57.120 5.668 4.577 64 HD2 LYS 6 HD2 LYS 6 55.697 5.085 6.566 65 HD3 LYS 6 HD1 LYS 6 55.183 3.607 5.716 66 HE2 LYS 6 HE2 LYS 6 57.024 2.994 7.159 67 HE3 LYS 6 HE1 LYS 6 57.642 2.998 5.490 68 HZ1 LYS 6 HZ1 LYS 6 59.125 4.148 7.048 69 HZ2 LYS 6 HZ2 LYS 6 57.893 5.259 7.414 70 HZ3 LYS 6 HZ3 LYS 6 58.543 5.194 5.846 71 H TRP 7 HN TRP 7 54.636 7.366 0.381 72 HA TRP 7 HA TRP 7 52.138 8.667 1.227 73 HB2 TRP 7 HB2 TRP 7 54.604 10.303 0.520 74 HB3 TRP 7 HB1 TRP 7 52.947 10.950 0.501 75 HD1 TRP 7 HD1 TRP 7 55.726 9.853 2.840 76 HE1 TRP 7 HE1 TRP 7 55.119 10.464 5.293 77 HE3 TRP 7 HE3 TRP 7 50.862 11.283 2.135 78 HZ2 TRP 7 HZ2 TRP 7 52.819 11.440 6.724 79 HZ3 TRP 7 HZ3 TRP 7 49.479 12.051 4.059 80 HH2 TRP 7 HH2 TRP 7 50.453 12.130 6.350 81 H LEU 8 HN LEU 8 53.754 6.895 -0.867 82 HA LEU 8 HA LEU 8 53.574 8.079 -3.398 83 HB2 LEU 8 HB2 LEU 8 52.668 5.217 -3.299 84 HB3 LEU 8 HB1 LEU 8 53.975 5.972 -4.233 85 HG LEU 8 HG LEU 8 55.149 6.208 -1.845 86 HD11 LEU 8 HD11 LEU 8 52.943 5.275 -0.759 87 HD12 LEU 8 HD12 LEU 8 54.502 4.637 -0.189 88 HD13 LEU 8 HD13 LEU 8 53.515 3.690 -1.327 89 HD21 LEU 8 HD21 LEU 8 56.185 3.974 -2.176 90 HD22 LEU 8 HD22 LEU 8 56.006 4.841 -3.720 91 HD23 LEU 8 HD23 LEU 8 54.875 3.534 -3.296 92 H ARG 9 HN ARG 9 51.101 5.713 -2.312 93 HA ARG 9 HA ARG 9 48.902 7.566 -2.889 94 HB2 ARG 9 HB2 ARG 9 49.923 5.722 -4.966 95 HB3 ARG 9 HB1 ARG 9 48.212 5.412 -4.615 96 HG2 ARG 9 HG2 ARG 9 49.223 8.241 -5.124 97 HG3 ARG 9 HG1 ARG 9 48.796 7.159 -6.465 98 HD2 ARG 9 HD2 ARG 9 46.531 6.847 -5.481 99 HD3 ARG 9 HD1 ARG 9 46.957 7.976 -4.171 100 HE ARG 9 HE ARG 9 47.470 9.479 -6.407 101 HH11 ARG 9 HH11 ARG 9 45.629 7.949 -8.073 102 HH12 ARG 9 HH12 ARG 9 44.091 8.681 -7.759 103 HH21 ARG 9 HH21 ARG 9 45.135 10.249 -4.849 104 HH22 ARG 9 HH22 ARG 9 43.811 9.984 -5.934 105 H ARG 10 HN ARG 10 50.166 5.560 -0.890 106 HA ARG 10 HA ARG 10 48.579 3.307 -0.499 107 HB2 ARG 10 HB2 ARG 10 48.847 3.988 2.068 108 HB3 ARG 10 HB1 ARG 10 50.262 3.519 1.100 109 HG2 ARG 10 HG2 ARG 10 51.047 5.724 0.887 110 HG3 ARG 10 HG1 ARG 10 49.447 6.445 1.158 111 HD2 ARG 10 HD2 ARG 10 49.568 5.625 3.558 112 HD3 ARG 10 HD1 ARG 10 51.246 5.124 3.239 113 HE ARG 10 HE ARG 10 51.127 7.803 2.454 114 HH11 ARG 10 HH11 ARG 10 51.767 5.936 5.143 115 HH12 ARG 10 HH12 ARG 10 51.586 7.211 6.302 116 HH21 ARG 10 HH21 ARG 10 50.321 9.479 4.003 117 HH22 ARG 10 HH22 ARG 10 50.768 9.217 5.657 118 H ILE 11 HN ILE 11 47.876 5.963 1.736 119 HA ILE 11 HA ILE 11 44.982 5.355 1.493 120 HB ILE 11 HB ILE 11 46.091 5.631 3.735 121 HG12 ILE 11 HG12 ILE 11 44.003 7.779 3.135 122 HG13 ILE 11 HG11 ILE 11 43.630 6.051 3.319 123 HG21 ILE 11 HG21 ILE 11 46.215 8.595 3.047 124 HG22 ILE 11 HG22 ILE 11 47.618 7.514 2.884 125 HG23 ILE 11 HG23 ILE 11 46.875 7.771 4.478 126 HD11 ILE 11 HD1 ILE 11 44.809 6.216 5.617 127 HD12 ILE 11 HD2 ILE 11 43.224 7.008 5.464 128 HD13 ILE 11 HD3 ILE 11 44.712 7.980 5.404 129 H GLY 12 HN GLY 12 47.305 7.620 0.303 130 HA2 GLY 12 HA1 GLY 12 45.814 9.987 0.076 131 HA3 GLY 12 HA2 GLY 12 47.030 9.445 -1.101 132 H LYS 13 HN LYS 13 45.756 7.090 -2.011 133 HA LYS 13 HA LYS 13 44.180 8.020 -4.122 134 HB2 LYS 13 HB2 LYS 13 45.060 5.726 -3.986 135 HB3 LYS 13 HB1 LYS 13 43.937 5.364 -2.653 136 HG2 LYS 13 HG2 LYS 13 42.016 5.617 -4.080 137 HG3 LYS 13 HG1 LYS 13 42.999 6.316 -5.388 138 HD2 LYS 13 HD2 LYS 13 42.459 3.942 -5.852 139 HD3 LYS 13 HD1 LYS 13 44.210 4.167 -5.629 140 HE2 LYS 13 HE2 LYS 13 44.188 3.170 -3.479 141 HE3 LYS 13 HE1 LYS 13 42.432 3.397 -3.286 142 HZ1 LYS 13 HZ1 LYS 13 41.984 1.696 -4.804 143 HZ2 LYS 13 HZ2 LYS 13 43.255 1.079 -3.860 144 HZ3 LYS 13 HZ3 LYS 13 43.564 1.677 -5.420 145 H GLY 14 HN GLY 14 43.380 7.838 -0.795 146 HA2 GLY 14 HA1 GLY 14 40.440 7.944 -1.314 147 HA3 GLY 14 HA2 GLY 14 41.235 7.692 0.252 148 H VAL 15 HN VAL 15 43.090 9.809 0.258 149 HA VAL 15 HA VAL 15 41.178 12.132 0.486 150 HB VAL 15 HB VAL 15 42.946 13.090 2.024 151 HG11 VAL 15 HG11 VAL 15 42.382 11.528 3.908 152 HG12 VAL 15 HG12 VAL 15 41.715 10.386 2.716 153 HG13 VAL 15 HG13 VAL 15 40.964 11.985 2.934 154 HG21 VAL 15 HG21 VAL 15 44.102 10.284 1.684 155 HG22 VAL 15 HG22 VAL 15 44.572 11.414 2.975 156 HG23 VAL 15 HG23 VAL 15 44.898 11.822 1.276 157 H LYS 16 HN LYS 16 44.442 11.192 -0.644 158 HA LYS 16 HA LYS 16 45.161 13.796 -1.609 159 HB2 LYS 16 HB2 LYS 16 46.733 11.862 -1.252 160 HB3 LYS 16 HB1 LYS 16 46.053 11.105 -2.713 161 HG2 LYS 16 HG2 LYS 16 46.739 13.013 -4.079 162 HG3 LYS 16 HG1 LYS 16 47.308 13.884 -2.633 163 HD2 LYS 16 HD2 LYS 16 48.924 11.991 -2.211 164 HD3 LYS 16 HD1 LYS 16 48.432 11.287 -3.770 165 HE2 LYS 16 HE2 LYS 16 49.733 14.005 -3.310 166 HE3 LYS 16 HE1 LYS 16 50.444 12.601 -4.139 167 HZ1 LYS 16 HZ1 LYS 16 47.971 13.990 -5.036 168 HZ2 LYS 16 HZ2 LYS 16 48.827 12.780 -5.865 169 HZ3 LYS 16 HZ3 LYS 16 49.517 14.317 -5.652 170 H ILE 17 HN ILE 17 43.199 11.189 -2.941 171 HA ILE 17 HA ILE 17 43.215 11.713 -5.665 172 HB ILE 17 HB ILE 17 41.825 9.966 -4.524 173 HG12 ILE 17 HG12 ILE 17 40.232 11.799 -6.376 174 HG13 ILE 17 HG11 ILE 17 41.483 10.658 -6.922 175 HG21 ILE 17 HG21 ILE 17 40.908 11.645 -2.807 176 HG22 ILE 17 HG22 ILE 17 39.726 10.513 -3.504 177 HG23 ILE 17 HG23 ILE 17 39.799 12.194 -4.083 178 HD11 ILE 17 HD1 ILE 17 40.113 8.836 -5.688 179 HD12 ILE 17 HD2 ILE 17 39.430 9.484 -7.196 180 HD13 ILE 17 HD3 ILE 17 38.804 10.041 -5.627 181 H ILE 18 HN ILE 18 42.078 13.812 -3.124 182 HA ILE 18 HA ILE 18 41.644 15.948 -5.089 183 HB ILE 18 HB ILE 18 39.424 14.738 -5.074 184 HG12 ILE 18 HG12 ILE 18 38.045 16.795 -4.568 185 HG13 ILE 18 HG11 ILE 18 39.500 17.562 -3.899 186 HG21 ILE 18 HG21 ILE 18 38.072 14.645 -3.121 187 HG22 ILE 18 HG22 ILE 18 39.123 15.770 -2.230 188 HG23 ILE 18 HG23 ILE 18 39.683 14.116 -2.581 189 HD11 ILE 18 HD1 ILE 18 40.522 17.776 -6.005 190 HD12 ILE 18 HD2 ILE 18 38.812 17.971 -6.443 191 HD13 ILE 18 HD3 ILE 18 39.618 16.409 -6.704 192 H GLY 19 HN GLY 19 41.146 14.858 -1.707 193 HA2 GLY 19 HA1 GLY 19 42.920 16.428 -0.386 194 HA3 GLY 19 HA2 GLY 19 41.624 17.599 -0.705 195 H GLY 20 HN GLY 20 40.311 14.517 -0.482 196 HA2 GLY 20 HA1 GLY 20 39.289 13.344 1.252 197 HA3 GLY 20 HA2 GLY 20 40.169 14.339 2.429 198 H ALA 21 HN ALA 21 38.993 16.691 0.662 199 HA ALA 21 HA ALA 21 36.953 17.434 2.491 200 HB1 ALA 21 HB1 ALA 21 37.251 18.288 -0.409 201 HB2 ALA 21 HB2 ALA 21 38.147 18.986 0.961 202 HB3 ALA 21 HB3 ALA 21 36.378 19.163 0.869 203 H ALA 22 HN ALA 22 36.457 16.536 -0.957 204 HA ALA 22 HA ALA 22 33.650 16.129 -0.683 205 HB1 ALA 22 HB1 ALA 22 35.671 14.993 -2.643 206 HB2 ALA 22 HB2 ALA 22 34.626 16.417 -2.863 207 HB3 ALA 22 HB3 ALA 22 33.911 14.788 -2.804 208 H LEU 23 HN LEU 23 36.397 13.837 -0.524 209 HA LEU 23 HA LEU 23 34.638 11.565 0.031 210 HB2 LEU 23 HB2 LEU 23 37.637 12.015 0.064 211 HB3 LEU 23 HB1 LEU 23 36.933 10.490 0.633 212 HG LEU 23 HG LEU 23 37.689 10.555 -1.817 213 HD11 LEU 23 HD11 LEU 23 35.971 9.100 -2.537 214 HD12 LEU 23 HD12 LEU 23 34.715 9.949 -1.616 215 HD13 LEU 23 HD13 LEU 23 35.919 8.955 -0.769 216 HD21 LEU 23 HD21 LEU 23 36.760 12.888 -2.205 217 HD22 LEU 23 HD22 LEU 23 35.131 12.170 -2.216 218 HD23 LEU 23 HD23 LEU 23 36.323 11.691 -3.446 219 H ASP 24 HN ASP 24 35.699 10.179 2.058 220 HA ASP 24 HA ASP 24 35.552 9.968 4.363 221 HB2 ASP 24 HB2 ASP 24 36.597 12.828 4.404 222 HB3 ASP 24 HB1 ASP 24 36.716 11.621 5.708 223 H HIS 25 HN HIS 25 33.518 11.747 2.625 224 HA HIS 25 HA HIS 25 32.047 12.953 4.951 225 HB2 HIS 25 HB2 HIS 25 32.502 14.384 2.958 226 HB3 HIS 25 HB1 HIS 25 31.570 13.244 1.959 227 HD1 HIS 25 HD1 HIS 25 29.055 13.462 1.951 228 HD2 HIS 25 HD2 HIS 25 30.857 15.645 5.063 229 HE1 HIS 25 HE1 HIS 25 27.229 14.873 3.047 230 H LEU 26 HN LEU 26 30.993 11.261 5.909 231 HA LEU 26 HA LEU 26 29.662 9.195 4.347 232 HB2 LEU 26 HB2 LEU 26 29.059 9.903 7.238 233 HB3 LEU 26 HB1 LEU 26 28.959 8.317 6.437 234 HG LEU 26 HG LEU 26 31.503 9.896 7.024 235 HD11 LEU 26 HD11 LEU 26 31.999 8.003 8.529 236 HD12 LEU 26 HD12 LEU 26 30.458 7.231 8.085 237 HD13 LEU 26 HD13 LEU 26 30.458 8.768 8.981 238 HD21 LEU 26 HD21 LEU 26 30.985 7.316 5.486 239 HD22 LEU 26 HD22 LEU 26 32.571 7.684 6.204 240 HD23 LEU 26 HD23 LEU 26 31.892 8.753 4.956 Start of MODEL 65 1 H1 GLY 1 HT1 GLY 1 58.069 0.176 -1.960 2 H2 GLY 1 HT2 GLY 1 58.716 -0.901 -3.103 3 H3 GLY 1 HT3 GLY 1 57.962 0.534 -3.613 4 HA2 GLY 1 HA1 GLY 1 60.474 0.275 -2.099 5 HA3 GLY 1 HA2 GLY 1 60.294 0.772 -3.793 6 H ARG 2 HN ARG 2 61.042 1.951 -0.895 7 HA ARG 2 HA ARG 2 59.342 4.168 -0.439 8 HB2 ARG 2 HB2 ARG 2 61.397 5.223 0.586 9 HB3 ARG 2 HB1 ARG 2 61.043 3.579 1.171 10 HG2 ARG 2 HG2 ARG 2 62.699 2.640 -0.389 11 HG3 ARG 2 HG1 ARG 2 63.028 4.263 -1.044 12 HD2 ARG 2 HD2 ARG 2 63.484 3.361 1.835 13 HD3 ARG 2 HD1 ARG 2 64.746 3.651 0.614 14 HE ARG 2 HE ARG 2 63.299 6.043 0.743 15 HH11 ARG 2 HH11 ARG 2 64.324 7.738 1.871 16 HH12 ARG 2 HH12 ARG 2 65.115 7.387 3.371 17 HH21 ARG 2 HH21 ARG 2 64.620 3.964 3.139 18 HH22 ARG 2 HH22 ARG 2 65.282 5.252 4.089 19 H ARG 3 HN ARG 3 59.458 6.369 -1.022 20 HA ARG 3 HA ARG 3 61.324 7.267 -3.075 21 HB2 ARG 3 HB2 ARG 3 59.772 5.879 -4.447 22 HB3 ARG 3 HB1 ARG 3 58.416 6.888 -3.888 23 HG2 ARG 3 HG2 ARG 3 59.378 8.868 -4.907 24 HG3 ARG 3 HG1 ARG 3 60.880 7.996 -5.299 25 HD2 ARG 3 HD2 ARG 3 59.656 6.510 -6.827 26 HD3 ARG 3 HD1 ARG 3 58.119 7.294 -6.391 27 HE ARG 3 HE ARG 3 58.672 8.976 -7.941 28 HH11 ARG 3 HH11 ARG 3 60.916 6.956 -8.802 29 HH12 ARG 3 HH12 ARG 3 62.258 8.048 -8.909 30 HH21 ARG 3 HH21 ARG 3 60.657 10.602 -7.193 31 HH22 ARG 3 HH22 ARG 3 62.111 10.112 -7.996 32 H LYS 4 HN LYS 4 58.543 7.660 -0.998 33 HA LYS 4 HA LYS 4 59.131 10.578 -0.819 34 HB2 LYS 4 HB2 LYS 4 56.335 9.503 -1.381 35 HB3 LYS 4 HB1 LYS 4 56.783 11.204 -1.100 36 HG2 LYS 4 HG2 LYS 4 58.361 10.996 -3.102 37 HG3 LYS 4 HG1 LYS 4 57.588 9.428 -3.441 38 HD2 LYS 4 HD2 LYS 4 55.356 10.619 -3.464 39 HD3 LYS 4 HD1 LYS 4 56.242 12.160 -3.347 40 HE2 LYS 4 HE2 LYS 4 55.756 11.704 -5.699 41 HE3 LYS 4 HE1 LYS 4 57.507 11.535 -5.426 42 HZ1 LYS 4 HZ1 LYS 4 55.606 9.250 -5.346 43 HZ2 LYS 4 HZ2 LYS 4 57.303 9.187 -5.365 44 HZ3 LYS 4 HZ3 LYS 4 56.455 9.708 -6.742 45 H ARG 5 HN ARG 5 59.251 7.956 0.789 46 HA ARG 5 HA ARG 5 58.842 7.306 2.977 47 HB2 ARG 5 HB2 ARG 5 59.967 9.577 3.284 48 HB3 ARG 5 HB1 ARG 5 58.342 10.258 3.500 49 HG2 ARG 5 HG2 ARG 5 58.918 9.819 5.729 50 HG3 ARG 5 HG1 ARG 5 58.086 8.307 5.310 51 HD2 ARG 5 HD2 ARG 5 60.229 7.873 6.486 52 HD3 ARG 5 HD1 ARG 5 60.272 7.234 4.828 53 HE ARG 5 HE ARG 5 61.314 9.922 4.883 54 HH11 ARG 5 HH11 ARG 5 62.062 6.666 4.558 55 HH12 ARG 5 HH12 ARG 5 63.741 6.830 4.951 56 HH21 ARG 5 HH21 ARG 5 63.462 10.150 5.916 57 HH22 ARG 5 HH22 ARG 5 64.535 8.803 5.720 58 H LYS 6 HN LYS 6 56.835 6.316 2.056 59 HA LYS 6 HA LYS 6 54.537 5.941 2.129 60 HB2 LYS 6 HB2 LYS 6 54.774 7.347 4.815 61 HB3 LYS 6 HB1 LYS 6 53.526 6.176 4.325 62 HG2 LYS 6 HG2 LYS 6 55.424 4.506 3.927 63 HG3 LYS 6 HG1 LYS 6 56.501 5.666 4.740 64 HD2 LYS 6 HD2 LYS 6 53.956 4.503 5.960 65 HD3 LYS 6 HD1 LYS 6 55.601 3.921 6.301 66 HE2 LYS 6 HE2 LYS 6 56.121 6.393 6.957 67 HE3 LYS 6 HE1 LYS 6 54.353 6.595 7.013 68 HZ1 LYS 6 HZ1 LYS 6 56.090 4.900 8.687 69 HZ2 LYS 6 HZ2 LYS 6 54.469 4.455 8.443 70 HZ3 LYS 6 HZ3 LYS 6 54.844 5.953 9.151 71 H TRP 7 HN TRP 7 54.232 7.514 0.363 72 HA TRP 7 HA TRP 7 52.161 9.408 1.085 73 HB2 TRP 7 HB2 TRP 7 54.382 10.585 1.723 74 HB3 TRP 7 HB1 TRP 7 54.682 10.696 -0.026 75 HD1 TRP 7 HD1 TRP 7 53.236 12.386 -1.413 76 HE1 TRP 7 HE1 TRP 7 51.585 14.295 -0.788 77 HE3 TRP 7 HE3 TRP 7 52.543 11.265 3.533 78 HZ2 TRP 7 HZ2 TRP 7 50.171 15.187 1.558 79 HZ3 TRP 7 HZ3 TRP 7 51.039 12.658 4.947 80 HH2 TRP 7 HH2 TRP 7 49.853 14.616 3.964 81 H LEU 8 HN LEU 8 53.569 7.295 -0.932 82 HA LEU 8 HA LEU 8 53.480 8.401 -3.515 83 HB2 LEU 8 HB2 LEU 8 52.336 5.624 -3.175 84 HB3 LEU 8 HB1 LEU 8 53.543 6.218 -4.329 85 HG LEU 8 HG LEU 8 54.752 4.801 -2.893 86 HD11 LEU 8 HD11 LEU 8 55.553 7.362 -3.078 87 HD12 LEU 8 HD12 LEU 8 56.443 6.174 -2.103 88 HD13 LEU 8 HD13 LEU 8 55.337 7.311 -1.314 89 HD21 LEU 8 HD21 LEU 8 52.774 5.704 -0.843 90 HD22 LEU 8 HD22 LEU 8 54.422 5.499 -0.198 91 HD23 LEU 8 HD23 LEU 8 53.613 4.146 -1.010 92 H ARG 9 HN ARG 9 50.850 6.310 -2.275 93 HA ARG 9 HA ARG 9 48.780 8.259 -2.639 94 HB2 ARG 9 HB2 ARG 9 47.754 7.648 -4.681 95 HB3 ARG 9 HB1 ARG 9 49.479 7.760 -5.081 96 HG2 ARG 9 HG2 ARG 9 47.872 5.213 -4.570 97 HG3 ARG 9 HG1 ARG 9 48.592 5.746 -6.103 98 HD2 ARG 9 HD2 ARG 9 50.853 5.676 -4.963 99 HD3 ARG 9 HD1 ARG 9 50.060 4.879 -3.582 100 HE ARG 9 HE ARG 9 50.856 3.549 -5.960 101 HH11 ARG 9 HH11 ARG 9 49.899 2.147 -3.494 102 HH12 ARG 9 HH12 ARG 9 48.444 1.388 -4.048 103 HH21 ARG 9 HH21 ARG 9 48.187 3.355 -6.892 104 HH22 ARG 9 HH22 ARG 9 47.474 2.072 -5.973 105 H ARG 10 HN ARG 10 50.002 5.721 -1.171 106 HA ARG 10 HA ARG 10 48.212 3.600 -1.096 107 HB2 ARG 10 HB2 ARG 10 48.591 3.809 1.563 108 HB3 ARG 10 HB1 ARG 10 49.919 3.348 0.473 109 HG2 ARG 10 HG2 ARG 10 50.889 5.504 0.526 110 HG3 ARG 10 HG1 ARG 10 49.407 6.277 1.117 111 HD2 ARG 10 HD2 ARG 10 51.352 5.876 2.815 112 HD3 ARG 10 HD1 ARG 10 49.701 5.437 3.313 113 HE ARG 10 HE ARG 10 50.470 3.220 3.464 114 HH11 ARG 10 HH11 ARG 10 51.512 1.406 2.528 115 HH12 ARG 10 HH12 ARG 10 52.933 1.671 1.574 116 HH21 ARG 10 HH21 ARG 10 52.663 5.127 1.648 117 HH22 ARG 10 HH22 ARG 10 53.586 3.778 1.077 118 H ILE 11 HN ILE 11 47.795 5.831 1.618 119 HA ILE 11 HA ILE 11 44.879 5.526 1.431 120 HB ILE 11 HB ILE 11 45.969 5.651 3.651 121 HG12 ILE 11 HG12 ILE 11 44.404 8.239 3.226 122 HG13 ILE 11 HG11 ILE 11 43.621 6.645 3.155 123 HG21 ILE 11 HG21 ILE 11 46.709 8.514 2.894 124 HG22 ILE 11 HG22 ILE 11 47.848 7.150 2.863 125 HG23 ILE 11 HG23 ILE 11 47.117 7.660 4.399 126 HD11 ILE 11 HD1 ILE 11 45.064 7.913 5.515 127 HD12 ILE 11 HD2 ILE 11 44.614 6.192 5.470 128 HD13 ILE 11 HD3 ILE 11 43.356 7.444 5.401 129 H GLY 12 HN GLY 12 47.274 7.469 0.004 130 HA2 GLY 12 HA1 GLY 12 46.012 10.021 -0.072 131 HA3 GLY 12 HA2 GLY 12 47.127 9.378 -1.301 132 H LYS 13 HN LYS 13 45.695 7.175 -2.192 133 HA LYS 13 HA LYS 13 44.047 8.207 -4.199 134 HB2 LYS 13 HB2 LYS 13 44.815 5.875 -4.154 135 HB3 LYS 13 HB1 LYS 13 43.787 5.548 -2.738 136 HG2 LYS 13 HG2 LYS 13 41.770 5.890 -4.009 137 HG3 LYS 13 HG1 LYS 13 42.677 6.559 -5.387 138 HD2 LYS 13 HD2 LYS 13 41.972 4.187 -5.764 139 HD3 LYS 13 HD1 LYS 13 43.739 4.388 -5.795 140 HE2 LYS 13 HE2 LYS 13 44.014 3.389 -3.662 141 HE3 LYS 13 HE1 LYS 13 42.308 3.639 -3.218 142 HZ1 LYS 13 HZ1 LYS 13 41.681 1.792 -4.295 143 HZ2 LYS 13 HZ2 LYS 13 43.312 1.337 -4.159 144 HZ3 LYS 13 HZ3 LYS 13 42.740 2.037 -5.597 145 H GLY 14 HN GLY 14 43.443 7.998 -0.825 146 HA2 GLY 14 HA1 GLY 14 40.488 8.238 -1.140 147 HA3 GLY 14 HA2 GLY 14 41.384 7.981 0.368 148 H VAL 15 HN VAL 15 43.298 10.013 0.277 149 HA VAL 15 HA VAL 15 41.496 12.419 0.541 150 HB VAL 15 HB VAL 15 43.373 13.341 1.963 151 HG11 VAL 15 HG11 VAL 15 42.803 11.941 3.920 152 HG12 VAL 15 HG12 VAL 15 42.164 10.679 2.839 153 HG13 VAL 15 HG13 VAL 15 41.360 12.265 2.931 154 HG21 VAL 15 HG21 VAL 15 44.411 10.489 1.614 155 HG22 VAL 15 HG22 VAL 15 44.972 11.605 2.880 156 HG23 VAL 15 HG23 VAL 15 45.245 11.996 1.167 157 H LYS 16 HN LYS 16 44.690 11.356 -0.705 158 HA LYS 16 HA LYS 16 45.594 13.828 -1.689 159 HB2 LYS 16 HB2 LYS 16 46.881 11.688 -1.720 160 HB3 LYS 16 HB1 LYS 16 45.878 11.139 -3.085 161 HG2 LYS 16 HG2 LYS 16 46.648 12.981 -4.471 162 HG3 LYS 16 HG1 LYS 16 47.505 13.716 -3.095 163 HD2 LYS 16 HD2 LYS 16 49.061 11.862 -2.980 164 HD3 LYS 16 HD1 LYS 16 48.127 10.938 -4.181 165 HE2 LYS 16 HE2 LYS 16 48.613 12.636 -5.899 166 HE3 LYS 16 HE1 LYS 16 49.499 13.614 -4.702 167 HZ1 LYS 16 HZ1 LYS 16 50.307 10.820 -4.994 168 HZ2 LYS 16 HZ2 LYS 16 51.251 12.206 -4.718 169 HZ3 LYS 16 HZ3 LYS 16 50.687 11.856 -6.282 170 H ILE 17 HN ILE 17 43.397 11.463 -3.251 171 HA ILE 17 HA ILE 17 43.129 12.712 -5.751 172 HB ILE 17 HB ILE 17 42.067 10.571 -5.322 173 HG12 ILE 17 HG12 ILE 17 39.854 12.626 -5.793 174 HG13 ILE 17 HG11 ILE 17 41.050 12.157 -7.021 175 HG21 ILE 17 HG21 ILE 17 39.991 11.916 -3.558 176 HG22 ILE 17 HG22 ILE 17 41.478 11.224 -2.877 177 HG23 ILE 17 HG23 ILE 17 40.334 10.186 -3.753 178 HD11 ILE 17 HD1 ILE 17 39.099 10.800 -7.401 179 HD12 ILE 17 HD2 ILE 17 38.972 10.385 -5.676 180 HD13 ILE 17 HD3 ILE 17 40.313 9.737 -6.651 181 H ILE 18 HN ILE 18 41.096 13.276 -2.833 182 HA ILE 18 HA ILE 18 41.080 16.111 -3.199 183 HB ILE 18 HB ILE 18 39.585 15.403 -5.170 184 HG12 ILE 18 HG12 ILE 18 38.423 17.191 -2.986 185 HG13 ILE 18 HG11 ILE 18 39.594 17.682 -4.233 186 HG21 ILE 18 HG21 ILE 18 37.432 14.528 -4.821 187 HG22 ILE 18 HG22 ILE 18 37.392 15.011 -3.110 188 HG23 ILE 18 HG23 ILE 18 38.387 13.629 -3.622 189 HD11 ILE 18 HD1 ILE 18 37.434 18.370 -5.033 190 HD12 ILE 18 HD2 ILE 18 36.710 16.793 -4.633 191 HD13 ILE 18 HD3 ILE 18 37.877 16.925 -5.972 192 H GLY 19 HN GLY 19 41.170 16.600 -1.123 193 HA2 GLY 19 HA1 GLY 19 39.065 16.559 0.651 194 HA3 GLY 19 HA2 GLY 19 39.806 14.963 0.883 195 H GLY 20 HN GLY 20 42.498 15.565 0.506 196 HA2 GLY 20 HA1 GLY 20 43.319 17.843 2.073 197 HA3 GLY 20 HA2 GLY 20 43.281 16.379 3.075 198 H ALA 21 HN ALA 21 45.499 16.334 3.401 199 HA ALA 21 HA ALA 21 47.706 15.841 2.881 200 HB1 ALA 21 HB1 ALA 21 46.334 14.299 0.652 201 HB2 ALA 21 HB2 ALA 21 46.743 13.689 2.274 202 HB3 ALA 21 HB3 ALA 21 48.038 14.109 1.126 203 H ALA 22 HN ALA 22 46.051 18.033 1.313 204 HA ALA 22 HA ALA 22 48.363 19.045 -0.122 205 HB1 ALA 22 HB1 ALA 22 47.502 17.325 -1.734 206 HB2 ALA 22 HB2 ALA 22 47.485 18.987 -2.371 207 HB3 ALA 22 HB3 ALA 22 45.973 18.233 -1.811 208 H LEU 23 HN LEU 23 44.780 19.118 0.050 209 HA LEU 23 HA LEU 23 44.755 22.051 -0.291 210 HB2 LEU 23 HB2 LEU 23 42.425 20.297 0.556 211 HB3 LEU 23 HB1 LEU 23 42.390 21.849 -0.313 212 HG LEU 23 HG LEU 23 43.452 19.195 -1.378 213 HD11 LEU 23 HD11 LEU 23 41.568 19.401 -2.964 214 HD12 LEU 23 HD12 LEU 23 41.079 20.932 -2.199 215 HD13 LEU 23 HD13 LEU 23 40.974 19.407 -1.287 216 HD21 LEU 23 HD21 LEU 23 43.579 20.595 -3.556 217 HD22 LEU 23 HD22 LEU 23 44.841 20.890 -2.339 218 HD23 LEU 23 HD23 LEU 23 43.481 22.027 -2.502 219 H ASP 24 HN ASP 24 46.310 21.149 1.950 220 HA ASP 24 HA ASP 24 45.085 22.813 3.999 221 HB2 ASP 24 HB2 ASP 24 43.829 20.652 4.292 222 HB3 ASP 24 HB1 ASP 24 45.380 19.857 4.654 223 H HIS 25 HN HIS 25 47.632 20.958 2.629 224 HA HIS 25 HA HIS 25 49.466 21.188 4.896 225 HB2 HIS 25 HB2 HIS 25 49.597 19.440 3.059 226 HB3 HIS 25 HB1 HIS 25 50.155 20.730 1.968 227 HD1 HIS 25 HD1 HIS 25 51.390 21.553 5.248 228 HD2 HIS 25 HD2 HIS 25 52.604 18.910 2.210 229 HE1 HIS 25 HE1 HIS 25 53.826 20.934 5.707 230 H LEU 26 HN LEU 26 49.277 23.445 5.410 231 HA LEU 26 HA LEU 26 50.029 25.457 3.440 232 HB2 LEU 26 HB2 LEU 26 50.133 25.811 6.454 233 HB3 LEU 26 HB1 LEU 26 49.781 27.025 5.201 234 HG LEU 26 HG LEU 26 48.023 24.668 6.009 235 HD11 LEU 26 HD11 LEU 26 46.492 26.367 6.802 236 HD12 LEU 26 HD12 LEU 26 47.491 27.666 6.108 237 HD13 LEU 26 HD13 LEU 26 48.091 26.726 7.495 238 HD21 LEU 26 HD21 LEU 26 47.817 26.682 3.732 239 HD22 LEU 26 HD22 LEU 26 46.395 25.816 4.363 240 HD23 LEU 26 HD23 LEU 26 47.741 24.907 3.640 Start of MODEL 66 1 H1 GLY 1 HT1 GLY 1 64.921 4.768 1.416 2 H2 GLY 1 HT2 GLY 1 64.722 4.276 3.031 3 H3 GLY 1 HT3 GLY 1 64.130 5.784 2.517 4 HA2 GLY 1 HA1 GLY 1 63.036 3.135 2.210 5 HA3 GLY 1 HA2 GLY 1 62.219 4.697 2.428 6 H ARG 2 HN ARG 2 60.905 3.419 0.702 7 HA ARG 2 HA ARG 2 61.859 3.144 -1.951 8 HB2 ARG 2 HB2 ARG 2 59.075 3.872 -0.956 9 HB3 ARG 2 HB1 ARG 2 59.460 3.334 -2.608 10 HG2 ARG 2 HG2 ARG 2 60.446 1.231 -1.631 11 HG3 ARG 2 HG1 ARG 2 59.870 1.758 -0.031 12 HD2 ARG 2 HD2 ARG 2 58.066 1.406 -2.463 13 HD3 ARG 2 HD1 ARG 2 58.293 0.172 -1.199 14 HE ARG 2 HE ARG 2 57.561 2.622 0.067 15 HH11 ARG 2 HH11 ARG 2 55.618 1.985 1.261 16 HH12 ARG 2 HH12 ARG 2 54.284 1.417 0.314 17 HH21 ARG 2 HH21 ARG 2 56.140 1.123 -2.602 18 HH22 ARG 2 HH22 ARG 2 54.580 0.929 -1.875 19 H ARG 3 HN ARG 3 60.283 4.613 -3.639 20 HA ARG 3 HA ARG 3 61.787 6.952 -4.058 21 HB2 ARG 3 HB2 ARG 3 58.904 6.375 -4.848 22 HB3 ARG 3 HB1 ARG 3 59.913 7.671 -5.532 23 HG2 ARG 3 HG2 ARG 3 61.504 6.057 -6.410 24 HG3 ARG 3 HG1 ARG 3 60.674 4.721 -5.578 25 HD2 ARG 3 HD2 ARG 3 60.023 4.767 -7.950 26 HD3 ARG 3 HD1 ARG 3 58.627 5.179 -6.927 27 HE ARG 3 HE ARG 3 59.834 7.629 -7.586 28 HH11 ARG 3 HH11 ARG 3 57.802 8.496 -8.682 29 HH12 ARG 3 HH12 ARG 3 57.536 7.850 -10.267 30 HH21 ARG 3 HH21 ARG 3 59.785 5.242 -9.869 31 HH22 ARG 3 HH22 ARG 3 58.659 6.007 -10.938 32 H LYS 4 HN LYS 4 58.307 7.229 -3.316 33 HA LYS 4 HA LYS 4 58.855 9.746 -1.846 34 HB2 LYS 4 HB2 LYS 4 56.246 8.311 -2.487 35 HB3 LYS 4 HB1 LYS 4 56.398 9.937 -1.778 36 HG2 LYS 4 HG2 LYS 4 57.458 10.799 -3.762 37 HG3 LYS 4 HG1 LYS 4 57.655 9.166 -4.442 38 HD2 LYS 4 HD2 LYS 4 55.750 10.312 -5.511 39 HD3 LYS 4 HD1 LYS 4 55.181 8.924 -4.555 40 HE2 LYS 4 HE2 LYS 4 54.320 10.305 -2.833 41 HE3 LYS 4 HE1 LYS 4 55.297 11.707 -3.336 42 HZ1 LYS 4 HZ1 LYS 4 53.425 10.618 -5.298 43 HZ2 LYS 4 HZ2 LYS 4 53.858 12.230 -4.978 44 HZ3 LYS 4 HZ3 LYS 4 52.748 11.431 -3.972 45 H ARG 5 HN ARG 5 59.631 6.986 -0.809 46 HA ARG 5 HA ARG 5 59.574 5.857 1.218 47 HB2 ARG 5 HB2 ARG 5 58.535 8.506 2.301 48 HB3 ARG 5 HB1 ARG 5 59.341 7.215 3.225 49 HG2 ARG 5 HG2 ARG 5 61.345 7.510 1.669 50 HG3 ARG 5 HG1 ARG 5 60.541 8.973 1.046 51 HD2 ARG 5 HD2 ARG 5 61.581 8.429 3.845 52 HD3 ARG 5 HD1 ARG 5 61.956 9.794 2.765 53 HE ARG 5 HE ARG 5 59.678 9.622 4.566 54 HH11 ARG 5 HH11 ARG 5 57.677 10.525 3.503 55 HH12 ARG 5 HH12 ARG 5 57.944 11.970 2.587 56 HH21 ARG 5 HH21 ARG 5 61.394 11.617 2.538 57 HH22 ARG 5 HH22 ARG 5 60.049 12.589 2.040 58 H LYS 6 HN LYS 6 57.908 6.039 3.453 59 HA LYS 6 HA LYS 6 55.572 4.624 2.440 60 HB2 LYS 6 HB2 LYS 6 56.666 5.392 5.148 61 HB3 LYS 6 HB1 LYS 6 54.952 4.940 5.045 62 HG2 LYS 6 HG2 LYS 6 56.313 2.961 5.567 63 HG3 LYS 6 HG1 LYS 6 55.585 2.795 3.955 64 HD2 LYS 6 HD2 LYS 6 57.933 2.082 3.894 65 HD3 LYS 6 HD1 LYS 6 57.730 3.555 2.926 66 HE2 LYS 6 HE2 LYS 6 58.862 4.896 4.499 67 HE3 LYS 6 HE1 LYS 6 58.522 3.781 5.847 68 HZ1 LYS 6 HZ1 LYS 6 60.763 3.463 5.316 69 HZ2 LYS 6 HZ2 LYS 6 60.480 3.465 3.641 70 HZ3 LYS 6 HZ3 LYS 6 59.974 2.150 4.589 71 H TRP 7 HN TRP 7 54.733 6.307 1.036 72 HA TRP 7 HA TRP 7 52.679 7.871 2.418 73 HB2 TRP 7 HB2 TRP 7 54.778 9.313 2.532 74 HB3 TRP 7 HB1 TRP 7 54.724 9.389 0.754 75 HD1 TRP 7 HD1 TRP 7 52.356 10.380 -0.295 76 HE1 TRP 7 HE1 TRP 7 50.837 12.302 0.576 77 HE3 TRP 7 HE3 TRP 7 53.963 10.542 4.563 78 HZ2 TRP 7 HZ2 TRP 7 50.404 13.700 3.056 79 HZ3 TRP 7 HZ3 TRP 7 52.984 12.180 6.163 80 HH2 TRP 7 HH2 TRP 7 51.208 13.756 5.415 81 H LEU 8 HN LEU 8 54.523 7.581 -0.650 82 HA LEU 8 HA LEU 8 53.622 7.991 -2.839 83 HB2 LEU 8 HB2 LEU 8 52.503 5.762 -3.500 84 HB3 LEU 8 HB1 LEU 8 54.154 5.694 -2.847 85 HG LEU 8 HG LEU 8 51.904 5.493 -0.838 86 HD11 LEU 8 HD11 LEU 8 52.595 3.282 -2.813 87 HD12 LEU 8 HD12 LEU 8 51.000 4.018 -2.519 88 HD13 LEU 8 HD13 LEU 8 51.757 3.004 -1.268 89 HD21 LEU 8 HD21 LEU 8 54.490 5.366 -0.438 90 HD22 LEU 8 HD22 LEU 8 54.365 3.723 -1.101 91 HD23 LEU 8 HD23 LEU 8 53.455 4.165 0.365 92 H ARG 9 HN ARG 9 50.897 5.946 -2.267 93 HA ARG 9 HA ARG 9 49.002 8.261 -2.192 94 HB2 ARG 9 HB2 ARG 9 49.065 6.074 -4.313 95 HB3 ARG 9 HB1 ARG 9 47.673 7.142 -4.032 96 HG2 ARG 9 HG2 ARG 9 50.490 8.109 -4.717 97 HG3 ARG 9 HG1 ARG 9 49.176 7.923 -5.895 98 HD2 ARG 9 HD2 ARG 9 47.847 9.482 -4.154 99 HD3 ARG 9 HD1 ARG 9 49.498 9.979 -3.710 100 HE ARG 9 HE ARG 9 48.125 10.790 -6.080 101 HH11 ARG 9 HH11 ARG 9 50.162 8.918 -7.259 102 HH12 ARG 9 HH12 ARG 9 51.513 9.973 -7.508 103 HH21 ARG 9 HH21 ARG 9 50.300 12.455 -5.412 104 HH22 ARG 9 HH22 ARG 9 51.593 11.975 -6.461 105 H ARG 10 HN ARG 10 49.977 5.893 -0.450 106 HA ARG 10 HA ARG 10 48.035 3.896 -0.215 107 HB2 ARG 10 HB2 ARG 10 48.473 4.282 2.399 108 HB3 ARG 10 HB1 ARG 10 49.757 3.651 1.342 109 HG2 ARG 10 HG2 ARG 10 50.916 5.695 1.281 110 HG3 ARG 10 HG1 ARG 10 49.481 6.658 1.696 111 HD2 ARG 10 HD2 ARG 10 51.164 6.450 3.572 112 HD3 ARG 10 HD1 ARG 10 49.542 5.854 3.995 113 HE ARG 10 HE ARG 10 51.219 3.722 2.962 114 HH11 ARG 10 HH11 ARG 10 52.722 5.267 5.193 115 HH12 ARG 10 HH12 ARG 10 52.307 4.298 6.568 116 HH21 ARG 10 HH21 ARG 10 49.727 2.638 4.952 117 HH22 ARG 10 HH22 ARG 10 50.612 2.809 6.431 118 H ILE 11 HN ILE 11 47.865 6.377 2.299 119 HA ILE 11 HA ILE 11 44.958 6.259 2.274 120 HB ILE 11 HB ILE 11 46.151 6.649 4.391 121 HG12 ILE 11 HG12 ILE 11 44.949 8.612 5.219 122 HG13 ILE 11 HG11 ILE 11 44.719 9.225 3.570 123 HG21 ILE 11 HG21 ILE 11 47.428 8.728 4.765 124 HG22 ILE 11 HG22 ILE 11 47.127 9.225 3.082 125 HG23 ILE 11 HG23 ILE 11 48.125 7.791 3.423 126 HD11 ILE 11 HD1 ILE 11 43.693 6.471 4.345 127 HD12 ILE 11 HD2 ILE 11 43.139 7.543 3.035 128 HD13 ILE 11 HD3 ILE 11 42.747 7.930 4.725 129 H GLY 12 HN GLY 12 47.404 8.062 0.618 130 HA2 GLY 12 HA1 GLY 12 46.068 10.524 0.161 131 HA3 GLY 12 HA2 GLY 12 47.210 9.753 -0.965 132 H LYS 13 HN LYS 13 45.871 7.422 -1.569 133 HA LYS 13 HA LYS 13 44.198 8.107 -3.697 134 HB2 LYS 13 HB2 LYS 13 45.086 5.848 -3.366 135 HB3 LYS 13 HB1 LYS 13 44.088 5.646 -1.907 136 HG2 LYS 13 HG2 LYS 13 42.048 5.693 -3.184 137 HG3 LYS 13 HG1 LYS 13 42.902 6.237 -4.648 138 HD2 LYS 13 HD2 LYS 13 42.347 3.794 -4.706 139 HD3 LYS 13 HD1 LYS 13 44.096 4.101 -4.793 140 HE2 LYS 13 HE2 LYS 13 44.453 3.410 -2.553 141 HE3 LYS 13 HE1 LYS 13 42.735 3.598 -2.121 142 HZ1 LYS 13 HZ1 LYS 13 44.077 1.332 -3.177 143 HZ2 LYS 13 HZ2 LYS 13 42.825 1.799 -4.227 144 HZ3 LYS 13 HZ3 LYS 13 42.488 1.461 -2.597 145 H GLY 14 HN GLY 14 43.576 8.327 -0.333 146 HA2 GLY 14 HA1 GLY 14 40.617 8.317 -0.669 147 HA3 GLY 14 HA2 GLY 14 41.521 8.368 0.856 148 H VAL 15 HN VAL 15 43.330 10.509 0.204 149 HA VAL 15 HA VAL 15 41.341 12.788 0.184 150 HB VAL 15 HB VAL 15 43.175 14.055 1.406 151 HG11 VAL 15 HG11 VAL 15 42.639 13.033 3.574 152 HG12 VAL 15 HG12 VAL 15 42.130 11.530 2.766 153 HG13 VAL 15 HG13 VAL 15 41.194 13.026 2.536 154 HG21 VAL 15 HG21 VAL 15 44.332 11.236 1.589 155 HG22 VAL 15 HG22 VAL 15 44.858 12.606 2.591 156 HG23 VAL 15 HG23 VAL 15 45.100 12.651 0.832 157 H LYS 16 HN LYS 16 44.634 11.806 -0.909 158 HA LYS 16 HA LYS 16 45.196 14.181 -2.360 159 HB2 LYS 16 HB2 LYS 16 46.012 11.291 -2.807 160 HB3 LYS 16 HB1 LYS 16 46.618 12.608 -3.828 161 HG2 LYS 16 HG2 LYS 16 46.822 12.813 -0.797 162 HG3 LYS 16 HG1 LYS 16 48.015 11.863 -1.707 163 HD2 LYS 16 HD2 LYS 16 48.406 13.927 -3.162 164 HD3 LYS 16 HD1 LYS 16 47.405 14.838 -2.006 165 HE2 LYS 16 HE2 LYS 16 49.718 15.113 -1.353 166 HE3 LYS 16 HE1 LYS 16 48.949 14.031 -0.167 167 HZ1 LYS 16 HZ1 LYS 16 51.047 13.485 -2.076 168 HZ2 LYS 16 HZ2 LYS 16 49.816 12.315 -2.065 169 HZ3 LYS 16 HZ3 LYS 16 50.654 12.683 -0.635 170 H ILE 17 HN ILE 17 43.222 11.355 -3.159 171 HA ILE 17 HA ILE 17 42.897 11.961 -5.947 172 HB ILE 17 HB ILE 17 42.291 9.783 -4.675 173 HG12 ILE 17 HG12 ILE 17 40.188 10.900 -6.590 174 HG13 ILE 17 HG11 ILE 17 41.764 10.258 -7.100 175 HG21 ILE 17 HG21 ILE 17 40.821 11.074 -3.009 176 HG22 ILE 17 HG22 ILE 17 40.121 9.587 -3.688 177 HG23 ILE 17 HG23 ILE 17 39.610 11.174 -4.308 178 HD11 ILE 17 HD1 ILE 17 41.104 8.104 -5.817 179 HD12 ILE 17 HD2 ILE 17 40.259 8.434 -7.348 180 HD13 ILE 17 HD3 ILE 17 39.455 8.775 -5.800 181 H ILE 18 HN ILE 18 42.179 13.872 -3.397 182 HA ILE 18 HA ILE 18 40.848 15.739 -3.132 183 HB ILE 18 HB ILE 18 40.019 15.453 -6.052 184 HG12 ILE 18 HG12 ILE 18 42.534 16.731 -4.879 185 HG13 ILE 18 HG11 ILE 18 42.487 15.263 -5.880 186 HG21 ILE 18 HG21 ILE 18 39.654 17.818 -5.941 187 HG22 ILE 18 HG22 ILE 18 40.511 17.956 -4.387 188 HG23 ILE 18 HG23 ILE 18 38.923 17.158 -4.462 189 HD11 ILE 18 HD1 ILE 18 41.872 18.124 -6.686 190 HD12 ILE 18 HD2 ILE 18 41.277 16.748 -7.649 191 HD13 ILE 18 HD3 ILE 18 43.026 16.987 -7.419 192 H GLY 19 HN GLY 19 39.363 14.935 -1.711 193 HA2 GLY 19 HA1 GLY 19 36.694 14.277 -2.903 194 HA3 GLY 19 HA2 GLY 19 37.416 13.160 -1.727 195 H GLY 20 HN GLY 20 38.476 14.675 0.199 196 HA2 GLY 20 HA1 GLY 20 36.902 16.935 0.990 197 HA3 GLY 20 HA2 GLY 20 36.236 15.468 1.731 198 H ALA 21 HN ALA 21 36.761 15.764 3.824 199 HA ALA 21 HA ALA 21 38.095 15.908 5.707 200 HB1 ALA 21 HB1 ALA 21 40.257 14.745 5.628 201 HB2 ALA 21 HB2 ALA 21 40.191 14.727 3.851 202 HB3 ALA 21 HB3 ALA 21 38.996 13.808 4.797 203 H ALA 22 HN ALA 22 40.777 16.389 3.405 204 HA ALA 22 HA ALA 22 41.669 18.738 4.859 205 HB1 ALA 22 HB1 ALA 22 43.300 17.350 3.771 206 HB2 ALA 22 HB2 ALA 22 43.290 18.922 2.934 207 HB3 ALA 22 HB3 ALA 22 42.478 17.517 2.202 208 H LEU 23 HN LEU 23 39.906 18.162 1.817 209 HA LEU 23 HA LEU 23 39.908 20.987 1.079 210 HB2 LEU 23 HB2 LEU 23 39.666 18.898 -0.454 211 HB3 LEU 23 HB1 LEU 23 37.969 18.884 0.065 212 HG LEU 23 HG LEU 23 38.041 21.467 -0.619 213 HD11 LEU 23 HD11 LEU 23 40.321 20.260 -2.257 214 HD12 LEU 23 HD12 LEU 23 40.443 21.609 -1.102 215 HD13 LEU 23 HD13 LEU 23 39.530 21.812 -2.612 216 HD21 LEU 23 HD21 LEU 23 37.376 20.834 -2.943 217 HD22 LEU 23 HD22 LEU 23 36.615 19.791 -1.717 218 HD23 LEU 23 HD23 LEU 23 38.005 19.193 -2.655 219 H ASP 24 HN ASP 24 39.037 20.592 3.767 220 HA ASP 24 HA ASP 24 36.605 22.151 3.687 221 HB2 ASP 24 HB2 ASP 24 35.713 19.833 3.184 222 HB3 ASP 24 HB1 ASP 24 36.287 19.337 4.794 223 H HIS 25 HN HIS 25 38.780 20.007 5.503 224 HA HIS 25 HA HIS 25 39.622 20.180 7.658 225 HB2 HIS 25 HB2 HIS 25 40.483 22.319 6.664 226 HB3 HIS 25 HB1 HIS 25 39.051 23.149 7.317 227 HD1 HIS 25 HD1 HIS 25 39.173 23.947 9.693 228 HD2 HIS 25 HD2 HIS 25 42.078 21.026 8.838 229 HE1 HIS 25 HE1 HIS 25 40.686 23.754 11.744 230 H LEU 26 HN LEU 26 38.315 19.181 9.075 231 HA LEU 26 HA LEU 26 35.669 20.109 9.737 232 HB2 LEU 26 HB2 LEU 26 37.442 18.347 11.467 233 HB3 LEU 26 HB1 LEU 26 35.665 18.383 11.403 234 HG LEU 26 HG LEU 26 37.487 17.552 9.098 235 HD11 LEU 26 HD11 LEU 26 37.433 15.990 11.088 236 HD12 LEU 26 HD12 LEU 26 36.793 15.280 9.587 237 HD13 LEU 26 HD13 LEU 26 35.675 15.842 10.853 238 HD21 LEU 26 HD21 LEU 26 34.466 17.723 9.460 239 HD22 LEU 26 HD22 LEU 26 35.201 16.639 8.254 240 HD23 LEU 26 HD23 LEU 26 35.464 18.394 8.148 Start of MODEL 67 1 H1 GLY 1 HT1 GLY 1 57.210 -1.965 4.598 2 H2 GLY 1 HT2 GLY 1 57.320 -3.316 3.574 3 H3 GLY 1 HT3 GLY 1 56.157 -2.113 3.278 4 HA2 GLY 1 HA1 GLY 1 59.062 -1.654 3.228 5 HA3 GLY 1 HA2 GLY 1 58.095 -2.053 1.795 6 H ARG 2 HN ARG 2 59.061 0.387 4.045 7 HA ARG 2 HA ARG 2 57.046 2.342 3.591 8 HB2 ARG 2 HB2 ARG 2 58.809 3.985 4.226 9 HB3 ARG 2 HB1 ARG 2 58.734 2.598 5.337 10 HG2 ARG 2 HG2 ARG 2 60.589 1.523 3.977 11 HG3 ARG 2 HG1 ARG 2 60.740 3.060 3.092 12 HD2 ARG 2 HD2 ARG 2 61.069 4.217 5.322 13 HD3 ARG 2 HD1 ARG 2 61.130 2.610 6.080 14 HE ARG 2 HE ARG 2 63.014 2.552 3.989 15 HH11 ARG 2 HH11 ARG 2 64.236 1.894 6.400 16 HH12 ARG 2 HH12 ARG 2 65.085 3.311 6.920 17 HH21 ARG 2 HH21 ARG 2 63.313 5.456 4.851 18 HH22 ARG 2 HH22 ARG 2 64.563 5.328 6.043 19 H ARG 3 HN ARG 3 59.923 1.437 1.723 20 HA ARG 3 HA ARG 3 60.649 2.116 -0.371 21 HB2 ARG 3 HB2 ARG 3 57.645 2.437 -0.717 22 HB3 ARG 3 HB1 ARG 3 58.819 2.507 -2.054 23 HG2 ARG 3 HG2 ARG 3 59.584 0.233 -1.555 24 HG3 ARG 3 HG1 ARG 3 58.513 0.156 -0.134 25 HD2 ARG 3 HD2 ARG 3 56.540 0.458 -1.625 26 HD3 ARG 3 HD1 ARG 3 57.625 0.470 -3.036 27 HE ARG 3 HE ARG 3 56.783 -1.891 -1.547 28 HH11 ARG 3 HH11 ARG 3 59.538 -2.419 -1.172 29 HH12 ARG 3 HH12 ARG 3 60.097 -3.042 -2.689 30 HH21 ARG 3 HH21 ARG 3 57.383 -1.840 -4.482 31 HH22 ARG 3 HH22 ARG 3 58.876 -2.715 -4.563 32 H LYS 4 HN LYS 4 57.942 4.240 -0.894 33 HA LYS 4 HA LYS 4 59.811 6.567 -0.918 34 HB2 LYS 4 HB2 LYS 4 56.902 6.463 -1.789 35 HB3 LYS 4 HB1 LYS 4 58.134 7.674 -2.222 36 HG2 LYS 4 HG2 LYS 4 59.457 5.842 -3.337 37 HG3 LYS 4 HG1 LYS 4 58.102 4.733 -3.022 38 HD2 LYS 4 HD2 LYS 4 56.592 6.313 -4.274 39 HD3 LYS 4 HD1 LYS 4 58.026 7.279 -4.697 40 HE2 LYS 4 HE2 LYS 4 57.515 5.739 -6.534 41 HE3 LYS 4 HE1 LYS 4 59.037 5.244 -5.755 42 HZ1 LYS 4 HZ1 LYS 4 56.890 4.016 -4.419 43 HZ2 LYS 4 HZ2 LYS 4 58.137 3.285 -5.313 44 HZ3 LYS 4 HZ3 LYS 4 56.693 3.747 -6.082 45 H ARG 5 HN ARG 5 59.071 5.488 1.661 46 HA ARG 5 HA ARG 5 58.233 6.212 3.702 47 HB2 ARG 5 HB2 ARG 5 59.740 8.092 3.268 48 HB3 ARG 5 HB1 ARG 5 58.480 8.914 2.319 49 HG2 ARG 5 HG2 ARG 5 57.080 9.203 4.257 50 HG3 ARG 5 HG1 ARG 5 58.089 8.105 5.229 51 HD2 ARG 5 HD2 ARG 5 58.560 10.478 5.780 52 HD3 ARG 5 HD1 ARG 5 59.984 9.689 5.063 53 HE ARG 5 HE ARG 5 58.616 10.848 2.908 54 HH11 ARG 5 HH11 ARG 5 61.058 11.960 2.778 55 HH12 ARG 5 HH12 ARG 5 61.004 13.494 3.582 56 HH21 ARG 5 HH21 ARG 5 58.075 12.787 5.299 57 HH22 ARG 5 HH22 ARG 5 59.316 13.961 5.012 58 H LYS 6 HN LYS 6 56.705 8.889 1.949 59 HA LYS 6 HA LYS 6 54.043 7.555 2.095 60 HB2 LYS 6 HB2 LYS 6 54.789 10.098 3.595 61 HB3 LYS 6 HB1 LYS 6 53.109 9.644 3.221 62 HG2 LYS 6 HG2 LYS 6 53.490 7.454 4.394 63 HG3 LYS 6 HG1 LYS 6 55.108 8.027 4.862 64 HD2 LYS 6 HD2 LYS 6 53.979 10.041 5.929 65 HD3 LYS 6 HD1 LYS 6 52.422 9.224 5.648 66 HE2 LYS 6 HE2 LYS 6 53.176 7.290 6.981 67 HE3 LYS 6 HE1 LYS 6 54.757 8.068 7.235 68 HZ1 LYS 6 HZ1 LYS 6 53.572 8.622 9.129 69 HZ2 LYS 6 HZ2 LYS 6 52.109 8.849 8.295 70 HZ3 LYS 6 HZ3 LYS 6 53.354 9.996 8.159 71 H TRP 7 HN TRP 7 54.474 7.632 -0.223 72 HA TRP 7 HA TRP 7 53.302 10.073 -1.376 73 HB2 TRP 7 HB2 TRP 7 56.168 9.250 -1.992 74 HB3 TRP 7 HB1 TRP 7 55.207 10.326 -3.033 75 HD1 TRP 7 HD1 TRP 7 57.480 10.396 -0.142 76 HE1 TRP 7 HE1 TRP 7 57.444 12.705 1.054 77 HE3 TRP 7 HE3 TRP 7 53.295 12.374 -2.329 78 HZ2 TRP 7 HZ2 TRP 7 55.802 15.070 1.040 79 HZ3 TRP 7 HZ3 TRP 7 52.512 14.658 -1.724 80 HH2 TRP 7 HH2 TRP 7 53.760 16.007 -0.042 81 H LEU 8 HN LEU 8 53.721 6.810 -1.171 82 HA LEU 8 HA LEU 8 53.493 6.105 -4.000 83 HB2 LEU 8 HB2 LEU 8 52.815 3.835 -2.969 84 HB3 LEU 8 HB1 LEU 8 54.458 4.426 -2.640 85 HG LEU 8 HG LEU 8 52.392 5.340 -0.655 86 HD11 LEU 8 HD11 LEU 8 53.248 2.416 -0.740 87 HD12 LEU 8 HD12 LEU 8 51.612 3.023 -1.095 88 HD13 LEU 8 HD13 LEU 8 52.292 3.202 0.539 89 HD21 LEU 8 HD21 LEU 8 55.039 3.900 -0.190 90 HD22 LEU 8 HD22 LEU 8 54.170 4.989 0.917 91 HD23 LEU 8 HD23 LEU 8 54.949 5.641 -0.544 92 H ARG 9 HN ARG 9 51.413 7.492 -1.752 93 HA ARG 9 HA ARG 9 49.152 7.926 -1.785 94 HB2 ARG 9 HB2 ARG 9 49.081 6.700 -4.568 95 HB3 ARG 9 HB1 ARG 9 47.931 7.850 -3.864 96 HG2 ARG 9 HG2 ARG 9 50.872 8.593 -4.126 97 HG3 ARG 9 HG1 ARG 9 49.775 8.748 -5.512 98 HD2 ARG 9 HD2 ARG 9 49.354 10.042 -2.781 99 HD3 ARG 9 HD1 ARG 9 49.931 10.871 -4.244 100 HE ARG 9 HE ARG 9 47.374 9.496 -4.626 101 HH11 ARG 9 HH11 ARG 9 45.606 10.851 -5.015 102 HH12 ARG 9 HH12 ARG 9 45.730 12.541 -4.656 103 HH21 ARG 9 HH21 ARG 9 49.005 12.332 -3.534 104 HH22 ARG 9 HH22 ARG 9 47.654 13.378 -3.817 105 H ARG 10 HN ARG 10 50.065 5.485 -0.613 106 HA ARG 10 HA ARG 10 48.713 3.151 -1.334 107 HB2 ARG 10 HB2 ARG 10 48.422 3.021 1.393 108 HB3 ARG 10 HB1 ARG 10 49.965 2.728 0.566 109 HG2 ARG 10 HG2 ARG 10 50.738 4.957 0.988 110 HG3 ARG 10 HG1 ARG 10 49.124 5.505 1.488 111 HD2 ARG 10 HD2 ARG 10 50.619 3.301 2.960 112 HD3 ARG 10 HD1 ARG 10 50.810 5.021 3.374 113 HE ARG 10 HE ARG 10 48.464 3.362 3.942 114 HH11 ARG 10 HH11 ARG 10 47.016 4.400 5.354 115 HH12 ARG 10 HH12 ARG 10 46.910 6.129 5.330 116 HH21 ARG 10 HH21 ARG 10 49.485 6.519 3.041 117 HH22 ARG 10 HH22 ARG 10 48.309 7.329 4.019 118 H ILE 11 HN ILE 11 47.381 5.094 1.356 119 HA ILE 11 HA ILE 11 44.635 4.501 0.299 120 HB ILE 11 HB ILE 11 45.836 4.926 3.041 121 HG12 ILE 11 HG12 ILE 11 45.081 2.681 1.936 122 HG13 ILE 11 HG11 ILE 11 44.633 2.984 3.626 123 HG21 ILE 11 HG21 ILE 11 42.989 5.761 2.346 124 HG22 ILE 11 HG22 ILE 11 44.250 6.724 3.151 125 HG23 ILE 11 HG23 ILE 11 43.512 5.346 3.995 126 HD11 ILE 11 HD1 ILE 11 42.370 3.514 3.041 127 HD12 ILE 11 HD2 ILE 11 42.778 2.068 2.093 128 HD13 ILE 11 HD3 ILE 11 42.761 3.663 1.314 129 H GLY 12 HN GLY 12 47.008 6.954 0.555 130 HA2 GLY 12 HA1 GLY 12 45.387 9.252 0.980 131 HA3 GLY 12 HA2 GLY 12 46.899 9.213 0.041 132 H LYS 13 HN LYS 13 45.949 7.246 -1.863 133 HA LYS 13 HA LYS 13 44.924 8.908 -3.890 134 HB2 LYS 13 HB2 LYS 13 45.879 6.657 -4.273 135 HB3 LYS 13 HB1 LYS 13 44.461 5.931 -3.477 136 HG2 LYS 13 HG2 LYS 13 42.976 6.744 -5.199 137 HG3 LYS 13 HG1 LYS 13 44.258 7.755 -5.904 138 HD2 LYS 13 HD2 LYS 13 43.908 5.660 -7.209 139 HD3 LYS 13 HD1 LYS 13 45.544 5.746 -6.516 140 HE2 LYS 13 HE2 LYS 13 44.237 3.500 -6.286 141 HE3 LYS 13 HE1 LYS 13 45.049 4.139 -4.837 142 HZ1 LYS 13 HZ1 LYS 13 42.747 3.422 -4.421 143 HZ2 LYS 13 HZ2 LYS 13 42.184 4.585 -5.524 144 HZ3 LYS 13 HZ3 LYS 13 42.971 5.071 -4.099 145 H GLY 14 HN GLY 14 43.398 7.556 -1.125 146 HA2 GLY 14 HA1 GLY 14 40.654 7.889 -2.236 147 HA3 GLY 14 HA2 GLY 14 41.099 7.133 -0.695 148 H VAL 15 HN VAL 15 42.702 9.067 0.495 149 HA VAL 15 HA VAL 15 40.643 11.231 0.940 150 HB VAL 15 HB VAL 15 41.837 11.592 3.113 151 HG11 VAL 15 HG11 VAL 15 39.824 10.215 3.042 152 HG12 VAL 15 HG12 VAL 15 40.993 9.461 4.152 153 HG13 VAL 15 HG13 VAL 15 40.766 8.800 2.515 154 HG21 VAL 15 HG21 VAL 15 43.354 9.112 2.186 155 HG22 VAL 15 HG22 VAL 15 43.338 9.691 3.866 156 HG23 VAL 15 HG23 VAL 15 44.043 10.703 2.585 157 H LYS 16 HN LYS 16 44.159 10.677 0.469 158 HA LYS 16 HA LYS 16 44.904 13.425 0.685 159 HB2 LYS 16 HB2 LYS 16 46.470 11.447 0.654 160 HB3 LYS 16 HB1 LYS 16 46.218 11.348 -1.106 161 HG2 LYS 16 HG2 LYS 16 47.039 13.655 -1.374 162 HG3 LYS 16 HG1 LYS 16 47.243 13.801 0.389 163 HD2 LYS 16 HD2 LYS 16 48.806 11.788 0.263 164 HD3 LYS 16 HD1 LYS 16 48.744 11.953 -1.509 165 HE2 LYS 16 HE2 LYS 16 49.693 14.061 0.480 166 HE3 LYS 16 HE1 LYS 16 50.706 13.146 -0.662 167 HZ1 LYS 16 HZ1 LYS 16 50.291 15.195 -1.691 168 HZ2 LYS 16 HZ2 LYS 16 48.647 15.196 -1.263 169 HZ3 LYS 16 HZ3 LYS 16 49.218 14.121 -2.447 170 H ILE 17 HN ILE 17 43.558 11.528 -1.999 171 HA ILE 17 HA ILE 17 44.122 13.423 -4.070 172 HB ILE 17 HB ILE 17 43.298 11.051 -4.406 173 HG12 ILE 17 HG12 ILE 17 41.426 13.020 -5.800 174 HG13 ILE 17 HG11 ILE 17 43.166 12.996 -6.153 175 HG21 ILE 17 HG21 ILE 17 41.493 11.256 -2.632 176 HG22 ILE 17 HG22 ILE 17 40.949 10.532 -4.161 177 HG23 ILE 17 HG23 ILE 17 40.548 12.222 -3.787 178 HD11 ILE 17 HD1 ILE 17 42.049 11.581 -7.773 179 HD12 ILE 17 HD2 ILE 17 41.194 10.696 -6.490 180 HD13 ILE 17 HD3 ILE 17 42.957 10.526 -6.666 181 H ILE 18 HN ILE 18 42.406 13.872 -1.282 182 HA ILE 18 HA ILE 18 40.961 15.527 -0.571 183 HB ILE 18 HB ILE 18 41.227 16.854 -3.304 184 HG12 ILE 18 HG12 ILE 18 43.110 16.960 -0.900 185 HG13 ILE 18 HG11 ILE 18 43.494 16.341 -2.521 186 HG21 ILE 18 HG21 ILE 18 40.694 18.866 -2.120 187 HG22 ILE 18 HG22 ILE 18 40.947 18.093 -0.536 188 HG23 ILE 18 HG23 ILE 18 39.539 17.650 -1.529 189 HD11 ILE 18 HD1 ILE 18 42.985 19.208 -1.664 190 HD12 ILE 18 HD2 ILE 18 42.839 18.715 -3.369 191 HD13 ILE 18 HD3 ILE 18 44.393 18.538 -2.518 192 H GLY 19 HN GLY 19 39.373 13.765 -0.656 193 HA2 GLY 19 HA1 GLY 19 36.992 14.651 -2.022 194 HA3 GLY 19 HA2 GLY 19 37.685 13.238 -2.842 195 H GLY 20 HN GLY 20 37.879 13.871 0.639 196 HA2 GLY 20 HA1 GLY 20 35.598 12.302 1.376 197 HA3 GLY 20 HA2 GLY 20 37.042 11.269 1.366 198 H ALA 21 HN ALA 21 36.131 11.229 3.714 199 HA ALA 21 HA ALA 21 36.426 11.839 5.934 200 HB1 ALA 21 HB1 ALA 21 38.646 12.457 6.577 201 HB2 ALA 21 HB2 ALA 21 38.989 13.145 4.971 202 HB3 ALA 21 HB3 ALA 21 38.801 11.386 5.165 203 H ALA 22 HN ALA 22 35.482 13.882 3.729 204 HA ALA 22 HA ALA 22 34.741 15.947 5.592 205 HB1 ALA 22 HB1 ALA 22 37.028 16.702 5.412 206 HB2 ALA 22 HB2 ALA 22 36.001 17.814 4.476 207 HB3 ALA 22 HB3 ALA 22 36.976 16.585 3.637 208 H LEU 23 HN LEU 23 35.542 15.325 2.152 209 HA LEU 23 HA LEU 23 33.172 16.841 1.260 210 HB2 LEU 23 HB2 LEU 23 35.410 16.747 0.031 211 HB3 LEU 23 HB1 LEU 23 35.014 15.064 -0.379 212 HG LEU 23 HG LEU 23 32.736 16.083 -1.275 213 HD11 LEU 23 HD11 LEU 23 34.575 18.523 -1.237 214 HD12 LEU 23 HD12 LEU 23 32.973 18.371 -0.477 215 HD13 LEU 23 HD13 LEU 23 33.118 18.393 -2.246 216 HD21 LEU 23 HD21 LEU 23 33.782 16.467 -3.493 217 HD22 LEU 23 HD22 LEU 23 34.464 15.028 -2.697 218 HD23 LEU 23 HD23 LEU 23 35.383 16.552 -2.721 219 H ASP 24 HN ASP 24 32.023 15.152 2.843 220 HA ASP 24 HA ASP 24 30.525 13.396 1.045 221 HB2 ASP 24 HB2 ASP 24 32.469 11.948 1.498 222 HB3 ASP 24 HB1 ASP 24 32.219 12.151 3.249 223 H HIS 25 HN HIS 25 31.201 14.877 4.122 224 HA HIS 25 HA HIS 25 28.892 13.802 5.519 225 HB2 HIS 25 HB2 HIS 25 30.490 16.344 6.028 226 HB3 HIS 25 HB1 HIS 25 29.358 15.572 7.163 227 HD1 HIS 25 HD1 HIS 25 30.122 12.601 6.776 228 HD2 HIS 25 HD2 HIS 25 32.951 15.693 7.137 229 HE1 HIS 25 HE1 HIS 25 32.296 11.551 7.612 230 H LEU 26 HN LEU 26 29.587 17.099 4.256 231 HA LEU 26 HA LEU 26 27.075 18.227 4.608 232 HB2 LEU 26 HB2 LEU 26 27.660 19.828 2.945 233 HB3 LEU 26 HB1 LEU 26 29.192 19.309 3.679 234 HG LEU 26 HG LEU 26 28.034 18.440 0.993 235 HD11 LEU 26 HD11 LEU 26 29.261 20.645 1.194 236 HD12 LEU 26 HD12 LEU 26 30.026 19.479 0.088 237 HD13 LEU 26 HD13 LEU 26 30.696 19.732 1.718 238 HD21 LEU 26 HD21 LEU 26 28.995 16.435 1.903 239 HD22 LEU 26 HD22 LEU 26 30.356 17.327 2.625 240 HD23 LEU 26 HD23 LEU 26 30.256 17.129 0.861 Start of MODEL 68 1 H1 GLY 1 HT1 GLY 1 53.545 1.250 -3.513 2 H2 GLY 1 HT2 GLY 1 54.625 0.642 -2.350 3 H3 GLY 1 HT3 GLY 1 54.115 -0.341 -3.639 4 HA2 GLY 1 HA1 GLY 1 55.714 0.347 -4.913 5 HA3 GLY 1 HA2 GLY 1 55.207 2.027 -4.644 6 H ARG 2 HN ARG 2 57.368 2.739 -4.625 7 HA ARG 2 HA ARG 2 58.551 2.696 -1.969 8 HB2 ARG 2 HB2 ARG 2 60.697 1.645 -2.591 9 HB3 ARG 2 HB1 ARG 2 59.346 0.495 -2.748 10 HG2 ARG 2 HG2 ARG 2 59.226 1.146 -5.214 11 HG3 ARG 2 HG1 ARG 2 60.759 2.020 -4.974 12 HD2 ARG 2 HD2 ARG 2 61.804 -0.094 -4.149 13 HD3 ARG 2 HD1 ARG 2 60.282 -0.953 -4.483 14 HE ARG 2 HE ARG 2 61.155 0.429 -6.851 15 HH11 ARG 2 HH11 ARG 2 60.322 -2.546 -6.196 16 HH12 ARG 2 HH12 ARG 2 61.710 -3.367 -6.829 17 HH21 ARG 2 HH21 ARG 2 63.630 -0.489 -7.072 18 HH22 ARG 2 HH22 ARG 2 63.583 -2.202 -7.324 19 H ARG 3 HN ARG 3 58.015 3.952 -5.017 20 HA ARG 3 HA ARG 3 60.316 5.421 -5.670 21 HB2 ARG 3 HB2 ARG 3 57.444 6.428 -5.796 22 HB3 ARG 3 HB1 ARG 3 58.820 7.008 -6.766 23 HG2 ARG 3 HG2 ARG 3 59.076 4.692 -7.703 24 HG3 ARG 3 HG1 ARG 3 57.607 4.211 -6.819 25 HD2 ARG 3 HD2 ARG 3 57.068 4.808 -9.160 26 HD3 ARG 3 HD1 ARG 3 56.315 5.953 -8.024 27 HE ARG 3 HE ARG 3 58.898 6.931 -8.849 28 HH11 ARG 3 HH11 ARG 3 57.304 9.093 -8.885 29 HH12 ARG 3 HH12 ARG 3 56.600 9.227 -10.462 30 HH21 ARG 3 HH21 ARG 3 57.283 5.942 -11.335 31 HH22 ARG 3 HH22 ARG 3 56.587 7.443 -11.849 32 H LYS 4 HN LYS 4 57.981 5.905 -3.085 33 HA LYS 4 HA LYS 4 59.785 7.948 -1.878 34 HB2 LYS 4 HB2 LYS 4 56.807 8.537 -1.949 35 HB3 LYS 4 HB1 LYS 4 58.174 9.646 -1.681 36 HG2 LYS 4 HG2 LYS 4 58.857 9.307 -4.074 37 HG3 LYS 4 HG1 LYS 4 57.413 8.296 -4.305 38 HD2 LYS 4 HD2 LYS 4 56.866 10.525 -5.072 39 HD3 LYS 4 HD1 LYS 4 55.997 10.244 -3.549 40 HE2 LYS 4 HE2 LYS 4 57.360 11.735 -2.345 41 HE3 LYS 4 HE1 LYS 4 58.729 11.563 -3.470 42 HZ1 LYS 4 HZ1 LYS 4 56.890 13.576 -3.463 43 HZ2 LYS 4 HZ2 LYS 4 56.374 12.586 -4.742 44 HZ3 LYS 4 HZ3 LYS 4 57.956 13.204 -4.728 45 H ARG 5 HN ARG 5 59.287 8.322 0.410 46 HA ARG 5 HA ARG 5 58.889 5.922 1.837 47 HB2 ARG 5 HB2 ARG 5 58.491 7.389 3.821 48 HB3 ARG 5 HB1 ARG 5 59.908 7.889 2.868 49 HG2 ARG 5 HG2 ARG 5 58.388 9.537 1.659 50 HG3 ARG 5 HG1 ARG 5 57.132 9.143 2.858 51 HD2 ARG 5 HD2 ARG 5 59.919 10.208 3.503 52 HD3 ARG 5 HD1 ARG 5 58.420 11.168 3.515 53 HE ARG 5 HE ARG 5 57.903 9.021 5.226 54 HH11 ARG 5 HH11 ARG 5 60.955 9.399 5.603 55 HH12 ARG 5 HH12 ARG 5 60.967 10.423 7.001 56 HH21 ARG 5 HH21 ARG 5 57.611 11.254 6.748 57 HH22 ARG 5 HH22 ARG 5 59.074 11.474 7.648 58 H LYS 6 HN LYS 6 57.065 5.702 3.582 59 HA LYS 6 HA LYS 6 54.661 5.098 2.201 60 HB2 LYS 6 HB2 LYS 6 55.334 5.503 5.134 61 HB3 LYS 6 HB1 LYS 6 53.671 5.131 4.622 62 HG2 LYS 6 HG2 LYS 6 54.917 3.070 5.218 63 HG3 LYS 6 HG1 LYS 6 54.457 3.077 3.499 64 HD2 LYS 6 HD2 LYS 6 56.673 3.613 2.791 65 HD3 LYS 6 HD1 LYS 6 57.174 4.080 4.435 66 HE2 LYS 6 HE2 LYS 6 56.362 1.261 3.594 67 HE3 LYS 6 HE1 LYS 6 58.041 1.827 3.763 68 HZ1 LYS 6 HZ1 LYS 6 56.859 2.574 6.101 69 HZ2 LYS 6 HZ2 LYS 6 57.842 1.204 5.879 70 HZ3 LYS 6 HZ3 LYS 6 56.151 1.065 5.789 71 H TRP 7 HN TRP 7 54.201 6.963 0.913 72 HA TRP 7 HA TRP 7 52.235 8.687 2.134 73 HB2 TRP 7 HB2 TRP 7 54.271 9.795 3.029 74 HB3 TRP 7 HB1 TRP 7 54.865 10.016 1.367 75 HD1 TRP 7 HD1 TRP 7 51.881 11.016 3.607 76 HE1 TRP 7 HE1 TRP 7 50.889 13.264 2.756 77 HE3 TRP 7 HE3 TRP 7 54.761 11.632 -0.580 78 HZ2 TRP 7 HZ2 TRP 7 51.314 15.062 0.548 79 HZ3 TRP 7 HZ3 TRP 7 54.451 13.621 -2.045 80 HH2 TRP 7 HH2 TRP 7 52.731 15.336 -1.485 81 H LEU 8 HN LEU 8 53.991 7.374 -0.459 82 HA LEU 8 HA LEU 8 53.617 8.967 -2.666 83 HB2 LEU 8 HB2 LEU 8 52.975 6.744 -3.890 84 HB3 LEU 8 HB1 LEU 8 54.562 6.861 -3.105 85 HG LEU 8 HG LEU 8 52.404 5.874 -1.272 86 HD11 LEU 8 HD11 LEU 8 52.458 3.557 -2.274 87 HD12 LEU 8 HD12 LEU 8 53.204 4.261 -3.728 88 HD13 LEU 8 HD13 LEU 8 51.564 4.752 -3.243 89 HD21 LEU 8 HD21 LEU 8 54.942 5.902 -0.874 90 HD22 LEU 8 HD22 LEU 8 55.048 4.572 -2.050 91 HD23 LEU 8 HD23 LEU 8 54.120 4.360 -0.546 92 H ARG 9 HN ARG 9 51.201 6.393 -2.514 93 HA ARG 9 HA ARG 9 48.983 8.398 -2.549 94 HB2 ARG 9 HB2 ARG 9 49.642 6.362 -4.709 95 HB3 ARG 9 HB1 ARG 9 47.986 6.969 -4.483 96 HG2 ARG 9 HG2 ARG 9 50.268 8.961 -4.720 97 HG3 ARG 9 HG1 ARG 9 49.644 8.181 -6.187 98 HD2 ARG 9 HD2 ARG 9 47.940 9.713 -4.168 99 HD3 ARG 9 HD1 ARG 9 48.505 10.347 -5.729 100 HE ARG 9 HE ARG 9 46.290 8.500 -5.341 101 HH11 ARG 9 HH11 ARG 9 47.872 6.819 -7.092 102 HH12 ARG 9 HH12 ARG 9 47.531 7.429 -8.678 103 HH21 ARG 9 HH21 ARG 9 46.262 10.447 -7.533 104 HH22 ARG 9 HH22 ARG 9 46.619 9.483 -8.927 105 H ARG 10 HN ARG 10 50.292 6.023 -0.935 106 HA ARG 10 HA ARG 10 48.687 3.790 -0.768 107 HB2 ARG 10 HB2 ARG 10 48.999 4.191 1.885 108 HB3 ARG 10 HB1 ARG 10 50.368 3.759 0.836 109 HG2 ARG 10 HG2 ARG 10 51.154 6.000 0.725 110 HG3 ARG 10 HG1 ARG 10 49.625 6.669 1.331 111 HD2 ARG 10 HD2 ARG 10 51.557 4.925 2.925 112 HD3 ARG 10 HD1 ARG 10 51.376 6.688 3.088 113 HE ARG 10 HE ARG 10 48.805 5.655 3.476 114 HH11 ARG 10 HH11 ARG 10 49.345 7.002 5.755 115 HH12 ARG 10 HH12 ARG 10 49.900 5.863 6.935 116 HH21 ARG 10 HH21 ARG 10 50.645 3.408 4.601 117 HH22 ARG 10 HH22 ARG 10 50.636 3.828 6.282 118 H ILE 11 HN ILE 11 48.017 6.131 1.802 119 HA ILE 11 HA ILE 11 45.146 5.510 1.595 120 HB ILE 11 HB ILE 11 46.178 5.687 3.828 121 HG12 ILE 11 HG12 ILE 11 44.639 7.250 4.889 122 HG13 ILE 11 HG11 ILE 11 44.402 8.132 3.368 123 HG21 ILE 11 HG21 ILE 11 47.088 7.829 4.636 124 HG22 ILE 11 HG22 ILE 11 46.777 8.575 3.051 125 HG23 ILE 11 HG23 ILE 11 47.982 7.274 3.203 126 HD11 ILE 11 HD1 ILE 11 42.594 6.374 4.111 127 HD12 ILE 11 HD2 ILE 11 43.766 5.166 3.535 128 HD13 ILE 11 HD3 ILE 11 43.118 6.387 2.413 129 H GLY 12 HN GLY 12 47.357 7.828 0.346 130 HA2 GLY 12 HA1 GLY 12 45.750 10.167 0.277 131 HA3 GLY 12 HA2 GLY 12 47.014 9.752 -0.900 132 H LYS 13 HN LYS 13 45.982 7.511 -2.136 133 HA LYS 13 HA LYS 13 44.304 8.543 -4.106 134 HB2 LYS 13 HB2 LYS 13 43.719 6.231 -4.647 135 HB3 LYS 13 HB1 LYS 13 45.434 6.321 -4.171 136 HG2 LYS 13 HG2 LYS 13 44.642 5.768 -1.785 137 HG3 LYS 13 HG1 LYS 13 43.077 5.350 -2.518 138 HD2 LYS 13 HD2 LYS 13 44.361 3.792 -4.094 139 HD3 LYS 13 HD1 LYS 13 45.785 4.062 -3.060 140 HE2 LYS 13 HE2 LYS 13 44.379 3.316 -1.083 141 HE3 LYS 13 HE1 LYS 13 43.111 2.851 -2.243 142 HZ1 LYS 13 HZ1 LYS 13 45.224 1.306 -1.451 143 HZ2 LYS 13 HZ2 LYS 13 45.693 1.857 -2.987 144 HZ3 LYS 13 HZ3 LYS 13 44.226 1.023 -2.792 145 H GLY 14 HN GLY 14 43.529 7.874 -0.828 146 HA2 GLY 14 HA1 GLY 14 40.599 7.681 -1.343 147 HA3 GLY 14 HA2 GLY 14 41.433 7.431 0.204 148 H VAL 15 HN VAL 15 43.039 9.785 0.239 149 HA VAL 15 HA VAL 15 40.870 11.866 0.588 150 HB VAL 15 HB VAL 15 42.483 12.902 2.246 151 HG11 VAL 15 HG11 VAL 15 41.968 11.236 4.037 152 HG12 VAL 15 HG12 VAL 15 41.490 10.069 2.781 153 HG13 VAL 15 HG13 VAL 15 40.564 11.573 2.997 154 HG21 VAL 15 HG21 VAL 15 43.916 10.246 1.781 155 HG22 VAL 15 HG22 VAL 15 44.192 11.278 3.203 156 HG23 VAL 15 HG23 VAL 15 44.582 11.885 1.578 157 H LYS 16 HN LYS 16 44.270 11.298 -0.356 158 HA LYS 16 HA LYS 16 44.735 13.988 -1.244 159 HB2 LYS 16 HB2 LYS 16 46.477 12.198 -0.740 160 HB3 LYS 16 HB1 LYS 16 46.088 11.491 -2.327 161 HG2 LYS 16 HG2 LYS 16 46.543 13.774 -3.350 162 HG3 LYS 16 HG1 LYS 16 47.156 14.293 -1.766 163 HD2 LYS 16 HD2 LYS 16 48.221 11.935 -3.388 164 HD3 LYS 16 HD1 LYS 16 48.988 13.533 -3.280 165 HE2 LYS 16 HE2 LYS 16 48.669 11.436 -1.108 166 HE3 LYS 16 HE1 LYS 16 50.152 12.230 -1.676 167 HZ1 LYS 16 HZ1 LYS 16 49.573 13.212 0.379 168 HZ2 LYS 16 HZ2 LYS 16 47.951 13.431 -0.081 169 HZ3 LYS 16 HZ3 LYS 16 49.177 14.350 -0.815 170 H ILE 17 HN ILE 17 43.441 11.049 -2.878 171 HA ILE 17 HA ILE 17 43.574 11.782 -5.546 172 HB ILE 17 HB ILE 17 42.460 9.741 -4.909 173 HG12 ILE 17 HG12 ILE 17 40.271 11.473 -6.132 174 HG13 ILE 17 HG11 ILE 17 41.728 11.021 -7.041 175 HG21 ILE 17 HG21 ILE 17 40.331 11.543 -3.684 176 HG22 ILE 17 HG22 ILE 17 41.477 10.515 -2.796 177 HG23 ILE 17 HG23 ILE 17 40.218 9.774 -3.809 178 HD11 ILE 17 HD1 ILE 17 41.127 8.564 -6.378 179 HD12 ILE 17 HD2 ILE 17 40.148 9.356 -7.630 180 HD13 ILE 17 HD3 ILE 17 39.525 9.223 -5.972 181 H ILE 18 HN ILE 18 41.923 13.525 -3.042 182 HA ILE 18 HA ILE 18 40.848 15.438 -5.114 183 HB ILE 18 HB ILE 18 39.483 14.503 -2.543 184 HG12 ILE 18 HG12 ILE 18 38.214 14.600 -5.308 185 HG13 ILE 18 HG11 ILE 18 39.317 13.267 -4.923 186 HG21 ILE 18 HG21 ILE 18 37.674 16.184 -3.353 187 HG22 ILE 18 HG22 ILE 18 38.957 16.888 -4.363 188 HG23 ILE 18 HG23 ILE 18 39.129 16.865 -2.592 189 HD11 ILE 18 HD1 ILE 18 37.028 12.589 -4.407 190 HD12 ILE 18 HD2 ILE 18 36.793 14.020 -3.381 191 HD13 ILE 18 HD3 ILE 18 37.940 12.752 -2.889 192 H GLY 19 HN GLY 19 40.777 15.483 -1.545 193 HA2 GLY 19 HA1 GLY 19 43.058 16.942 -0.963 194 HA3 GLY 19 HA2 GLY 19 41.908 18.169 -1.530 195 H GLY 20 HN GLY 20 40.230 15.585 -0.190 196 HA2 GLY 20 HA1 GLY 20 39.114 15.320 1.817 197 HA3 GLY 20 HA2 GLY 20 40.498 16.101 2.606 198 H ALA 21 HN ALA 21 39.340 18.121 0.201 199 HA ALA 21 HA ALA 21 38.267 19.988 2.168 200 HB1 ALA 21 HB1 ALA 21 37.831 21.405 0.170 201 HB2 ALA 21 HB2 ALA 21 38.324 20.046 -0.869 202 HB3 ALA 21 HB3 ALA 21 39.502 20.797 0.234 203 H ALA 22 HN ALA 22 36.960 17.234 1.166 204 HA ALA 22 HA ALA 22 34.232 18.160 1.673 205 HB1 ALA 22 HB1 ALA 22 34.981 17.129 -1.085 206 HB2 ALA 22 HB2 ALA 22 34.348 18.744 -0.682 207 HB3 ALA 22 HB3 ALA 22 33.316 17.306 -0.485 208 H LEU 23 HN LEU 23 36.124 15.508 0.145 209 HA LEU 23 HA LEU 23 34.374 13.475 1.329 210 HB2 LEU 23 HB2 LEU 23 35.641 13.292 -0.892 211 HB3 LEU 23 HB1 LEU 23 37.115 13.077 0.077 212 HG LEU 23 HG LEU 23 35.697 11.187 1.311 213 HD11 LEU 23 HD11 LEU 23 34.276 11.447 -1.383 214 HD12 LEU 23 HD12 LEU 23 33.540 11.604 0.230 215 HD13 LEU 23 HD13 LEU 23 34.158 10.031 -0.315 216 HD21 LEU 23 HD21 LEU 23 36.807 10.869 -1.515 217 HD22 LEU 23 HD22 LEU 23 36.477 9.527 -0.394 218 HD23 LEU 23 HD23 LEU 23 37.725 10.734 0.005 219 H ASP 24 HN ASP 24 35.014 14.878 3.459 220 HA ASP 24 HA ASP 24 36.545 12.986 5.061 221 HB2 ASP 24 HB2 ASP 24 38.396 14.291 4.027 222 HB3 ASP 24 HB1 ASP 24 37.690 15.784 4.692 223 H HIS 25 HN HIS 25 34.076 15.006 4.613 224 HA HIS 25 HA HIS 25 33.875 16.673 6.869 225 HB2 HIS 25 HB2 HIS 25 32.231 16.639 5.032 226 HB3 HIS 25 HB1 HIS 25 31.678 15.029 5.549 227 HD1 HIS 25 HD1 HIS 25 29.682 15.064 7.030 228 HD2 HIS 25 HD2 HIS 25 32.021 18.529 7.477 229 HE1 HIS 25 HE1 HIS 25 28.481 16.584 8.696 230 H LEU 26 HN LEU 26 34.210 13.295 6.790 231 HA LEU 26 HA LEU 26 32.584 12.475 8.981 232 HB2 LEU 26 HB2 LEU 26 35.216 11.472 7.842 233 HB3 LEU 26 HB1 LEU 26 34.455 10.687 9.246 234 HG LEU 26 HG LEU 26 32.375 10.353 7.920 235 HD11 LEU 26 HD11 LEU 26 32.693 10.659 5.353 236 HD12 LEU 26 HD12 LEU 26 34.034 11.748 5.783 237 HD13 LEU 26 HD13 LEU 26 32.377 12.116 6.321 238 HD21 LEU 26 HD21 LEU 26 33.304 8.614 6.402 239 HD22 LEU 26 HD22 LEU 26 34.106 8.588 7.991 240 HD23 LEU 26 HD23 LEU 26 34.924 9.323 6.592 Start of MODEL 69 1 H1 GLY 1 HT1 GLY 1 55.433 1.373 -2.691 2 H2 GLY 1 HT2 GLY 1 54.782 -0.190 -2.834 3 H3 GLY 1 HT3 GLY 1 56.000 0.328 -3.899 4 HA2 GLY 1 HA1 GLY 1 56.197 -0.851 -1.343 5 HA3 GLY 1 HA2 GLY 1 57.441 -0.614 -2.587 6 H ARG 2 HN ARG 2 58.373 1.588 -2.786 7 HA ARG 2 HA ARG 2 58.063 3.469 -0.611 8 HB2 ARG 2 HB2 ARG 2 60.298 3.134 0.433 9 HB3 ARG 2 HB1 ARG 2 59.216 1.743 0.690 10 HG2 ARG 2 HG2 ARG 2 60.276 0.644 -1.329 11 HG3 ARG 2 HG1 ARG 2 61.456 1.975 -1.364 12 HD2 ARG 2 HD2 ARG 2 62.115 1.423 0.980 13 HD3 ARG 2 HD1 ARG 2 60.981 0.051 0.955 14 HE ARG 2 HE ARG 2 62.629 -1.142 -0.226 15 HH11 ARG 2 HH11 ARG 2 64.388 1.369 0.582 16 HH12 ARG 2 HH12 ARG 2 65.212 1.616 -0.923 17 HH21 ARG 2 HH21 ARG 2 63.093 -0.454 -2.726 18 HH22 ARG 2 HH22 ARG 2 64.479 0.584 -2.795 19 H ARG 3 HN ARG 3 58.088 3.540 -3.456 20 HA ARG 3 HA ARG 3 60.687 4.471 -4.381 21 HB2 ARG 3 HB2 ARG 3 57.889 4.783 -5.540 22 HB3 ARG 3 HB1 ARG 3 59.393 5.226 -6.382 23 HG2 ARG 3 HG2 ARG 3 60.187 2.837 -6.019 24 HG3 ARG 3 HG1 ARG 3 58.546 2.455 -5.445 25 HD2 ARG 3 HD2 ARG 3 57.603 3.210 -7.601 26 HD3 ARG 3 HD1 ARG 3 59.235 3.626 -8.177 27 HE ARG 3 HE ARG 3 59.036 0.847 -7.313 28 HH11 ARG 3 HH11 ARG 3 60.770 0.839 -9.381 29 HH12 ARG 3 HH12 ARG 3 59.862 0.654 -10.845 30 HH21 ARG 3 HH21 ARG 3 56.848 1.583 -9.405 31 HH22 ARG 3 HH22 ARG 3 57.642 1.075 -10.857 32 H LYS 4 HN LYS 4 58.061 5.873 -2.611 33 HA LYS 4 HA LYS 4 59.487 8.489 -2.627 34 HB2 LYS 4 HB2 LYS 4 57.716 8.518 -4.471 35 HB3 LYS 4 HB1 LYS 4 56.499 8.345 -3.184 36 HG2 LYS 4 HG2 LYS 4 57.371 10.402 -2.092 37 HG3 LYS 4 HG1 LYS 4 58.563 10.581 -3.401 38 HD2 LYS 4 HD2 LYS 4 56.804 10.865 -5.052 39 HD3 LYS 4 HD1 LYS 4 55.550 10.476 -3.849 40 HE2 LYS 4 HE2 LYS 4 56.279 12.478 -2.515 41 HE3 LYS 4 HE1 LYS 4 57.410 12.893 -3.826 42 HZ1 LYS 4 HZ1 LYS 4 54.816 13.679 -3.669 43 HZ2 LYS 4 HZ2 LYS 4 54.731 12.365 -4.744 44 HZ3 LYS 4 HZ3 LYS 4 55.757 13.677 -5.080 45 H ARG 5 HN ARG 5 59.832 7.136 -0.532 46 HA ARG 5 HA ARG 5 59.360 6.840 1.721 47 HB2 ARG 5 HB2 ARG 5 57.796 9.435 1.523 48 HB3 ARG 5 HB1 ARG 5 58.751 8.816 2.892 49 HG2 ARG 5 HG2 ARG 5 59.825 9.755 0.196 50 HG3 ARG 5 HG1 ARG 5 60.024 10.572 1.764 51 HD2 ARG 5 HD2 ARG 5 61.255 7.963 0.816 52 HD3 ARG 5 HD1 ARG 5 62.070 9.405 1.469 53 HE ARG 5 HE ARG 5 60.442 8.521 3.553 54 HH11 ARG 5 HH11 ARG 5 60.550 6.200 4.272 55 HH12 ARG 5 HH12 ARG 5 62.140 5.514 4.262 56 HH21 ARG 5 HH21 ARG 5 63.513 8.061 2.351 57 HH22 ARG 5 HH22 ARG 5 63.818 6.568 3.175 58 H LYS 6 HN LYS 6 57.130 7.780 3.261 59 HA LYS 6 HA LYS 6 55.077 5.798 2.325 60 HB2 LYS 6 HB2 LYS 6 55.338 7.129 5.046 61 HB3 LYS 6 HB1 LYS 6 54.364 5.702 4.617 62 HG2 LYS 6 HG2 LYS 6 56.454 4.475 4.027 63 HG3 LYS 6 HG1 LYS 6 57.408 5.892 4.532 64 HD2 LYS 6 HD2 LYS 6 56.290 5.713 6.808 65 HD3 LYS 6 HD1 LYS 6 55.600 4.163 6.271 66 HE2 LYS 6 HE2 LYS 6 58.568 4.853 6.406 67 HE3 LYS 6 HE1 LYS 6 57.690 3.783 7.524 68 HZ1 LYS 6 HZ1 LYS 6 57.034 2.585 5.322 69 HZ2 LYS 6 HZ2 LYS 6 58.548 2.289 6.032 70 HZ3 LYS 6 HZ3 LYS 6 58.421 3.342 4.706 71 H TRP 7 HN TRP 7 54.651 7.718 0.709 72 HA TRP 7 HA TRP 7 52.175 8.969 1.661 73 HB2 TRP 7 HB2 TRP 7 54.634 10.654 1.050 74 HB3 TRP 7 HB1 TRP 7 52.979 11.305 0.977 75 HD1 TRP 7 HD1 TRP 7 51.531 10.466 3.387 76 HE1 TRP 7 HE1 TRP 7 52.297 10.903 5.833 77 HE3 TRP 7 HE3 TRP 7 56.533 11.162 2.553 78 HZ2 TRP 7 HZ2 TRP 7 54.760 11.477 7.208 79 HZ3 TRP 7 HZ3 TRP 7 58.073 11.654 4.446 80 HH2 TRP 7 HH2 TRP 7 57.192 11.811 6.771 81 H LEU 8 HN LEU 8 53.731 7.298 -0.556 82 HA LEU 8 HA LEU 8 53.539 8.556 -3.037 83 HB2 LEU 8 HB2 LEU 8 52.418 5.769 -2.992 84 HB3 LEU 8 HB1 LEU 8 53.756 6.448 -3.945 85 HG LEU 8 HG LEU 8 55.011 6.522 -1.591 86 HD11 LEU 8 HD11 LEU 8 53.200 4.128 -1.079 87 HD12 LEU 8 HD12 LEU 8 52.765 5.736 -0.461 88 HD13 LEU 8 HD13 LEU 8 54.287 4.970 0.050 89 HD21 LEU 8 HD21 LEU 8 55.824 5.159 -3.413 90 HD22 LEU 8 HD22 LEU 8 54.476 4.010 -3.234 91 HD23 LEU 8 HD23 LEU 8 55.734 4.111 -1.978 92 H ARG 9 HN ARG 9 50.928 6.516 -1.643 93 HA ARG 9 HA ARG 9 48.864 8.453 -2.197 94 HB2 ARG 9 HB2 ARG 9 49.588 7.490 -4.549 95 HB3 ARG 9 HB1 ARG 9 48.698 6.041 -4.035 96 HG2 ARG 9 HG2 ARG 9 46.967 7.219 -5.080 97 HG3 ARG 9 HG1 ARG 9 46.789 7.835 -3.422 98 HD2 ARG 9 HD2 ARG 9 46.743 9.734 -4.928 99 HD3 ARG 9 HD1 ARG 9 48.303 9.767 -4.071 100 HE ARG 9 HE ARG 9 49.341 9.487 -6.162 101 HH11 ARG 9 HH11 ARG 9 49.354 7.554 -7.715 102 HH12 ARG 9 HH12 ARG 9 47.963 7.492 -8.744 103 HH21 ARG 9 HH21 ARG 9 46.131 9.747 -6.851 104 HH22 ARG 9 HH22 ARG 9 46.140 8.735 -8.256 105 H ARG 10 HN ARG 10 50.045 6.336 -0.320 106 HA ARG 10 HA ARG 10 48.428 4.138 0.108 107 HB2 ARG 10 HB2 ARG 10 48.720 4.880 2.685 108 HB3 ARG 10 HB1 ARG 10 50.100 4.318 1.713 109 HG2 ARG 10 HG2 ARG 10 50.901 6.519 1.333 110 HG3 ARG 10 HG1 ARG 10 49.355 7.267 1.797 111 HD2 ARG 10 HD2 ARG 10 51.091 7.515 3.574 112 HD3 ARG 10 HD1 ARG 10 49.691 6.571 4.133 113 HE ARG 10 HE ARG 10 51.807 4.881 3.053 114 HH11 ARG 10 HH11 ARG 10 50.858 6.809 5.745 115 HH12 ARG 10 HH12 ARG 10 51.612 5.782 6.918 116 HH21 ARG 10 HH21 ARG 10 52.715 3.473 4.580 117 HH22 ARG 10 HH22 ARG 10 52.663 3.894 6.259 118 H ILE 11 HN ILE 11 47.748 6.763 2.375 119 HA ILE 11 HA ILE 11 44.883 6.125 2.236 120 HB ILE 11 HB ILE 11 45.915 6.594 4.425 121 HG12 ILE 11 HG12 ILE 11 44.349 8.285 5.268 122 HG13 ILE 11 HG11 ILE 11 44.067 8.902 3.627 123 HG21 ILE 11 HG21 ILE 11 46.804 8.820 4.955 124 HG22 ILE 11 HG22 ILE 11 46.444 9.380 3.305 125 HG23 ILE 11 HG23 ILE 11 47.682 8.131 3.571 126 HD11 ILE 11 HD1 ILE 11 42.336 7.217 4.678 127 HD12 ILE 11 HD2 ILE 11 43.543 5.978 4.263 128 HD13 ILE 11 HD3 ILE 11 42.831 6.993 2.984 129 H GLY 12 HN GLY 12 47.080 8.461 0.879 130 HA2 GLY 12 HA1 GLY 12 45.352 10.651 0.454 131 HA3 GLY 12 HA2 GLY 12 46.680 10.177 -0.630 132 H LYS 13 HN LYS 13 45.753 7.651 -1.440 133 HA LYS 13 HA LYS 13 44.190 8.209 -3.675 134 HB2 LYS 13 HB2 LYS 13 45.287 6.029 -3.270 135 HB3 LYS 13 HB1 LYS 13 44.110 5.677 -1.983 136 HG2 LYS 13 HG2 LYS 13 42.281 5.626 -3.548 137 HG3 LYS 13 HG1 LYS 13 43.292 6.300 -4.849 138 HD2 LYS 13 HD2 LYS 13 42.961 3.829 -5.078 139 HD3 LYS 13 HD1 LYS 13 44.673 4.272 -4.878 140 HE2 LYS 13 HE2 LYS 13 44.739 3.500 -2.638 141 HE3 LYS 13 HE1 LYS 13 42.966 3.546 -2.468 142 HZ1 LYS 13 HZ1 LYS 13 42.746 1.551 -3.445 143 HZ2 LYS 13 HZ2 LYS 13 44.372 1.332 -3.004 144 HZ3 LYS 13 HZ3 LYS 13 43.975 1.826 -4.582 145 H GLY 14 HN GLY 14 43.222 8.085 -0.358 146 HA2 GLY 14 HA1 GLY 14 40.334 7.835 -1.018 147 HA3 GLY 14 HA2 GLY 14 41.066 7.848 0.595 148 H VAL 15 HN VAL 15 42.652 10.201 0.388 149 HA VAL 15 HA VAL 15 40.434 12.259 0.261 150 HB VAL 15 HB VAL 15 41.865 13.567 1.862 151 HG11 VAL 15 HG11 VAL 15 41.062 10.767 2.772 152 HG12 VAL 15 HG12 VAL 15 39.961 12.157 2.613 153 HG13 VAL 15 HG13 VAL 15 41.267 12.190 3.821 154 HG21 VAL 15 HG21 VAL 15 44.053 12.597 1.454 155 HG22 VAL 15 HG22 VAL 15 43.460 10.965 1.845 156 HG23 VAL 15 HG23 VAL 15 43.594 12.193 3.123 157 H LYS 16 HN LYS 16 43.910 11.683 -0.432 158 HA LYS 16 HA LYS 16 44.451 14.252 -1.508 159 HB2 LYS 16 HB2 LYS 16 46.147 12.461 -1.006 160 HB3 LYS 16 HB1 LYS 16 45.619 11.617 -2.483 161 HG2 LYS 16 HG2 LYS 16 46.271 13.497 -3.872 162 HG3 LYS 16 HG1 LYS 16 46.599 14.506 -2.442 163 HD2 LYS 16 HD2 LYS 16 48.380 12.889 -1.751 164 HD3 LYS 16 HD1 LYS 16 48.096 11.978 -3.253 165 HE2 LYS 16 HE2 LYS 16 48.856 14.927 -3.158 166 HE3 LYS 16 HE1 LYS 16 50.014 13.601 -3.421 167 HZ1 LYS 16 HZ1 LYS 16 48.070 13.050 -5.209 168 HZ2 LYS 16 HZ2 LYS 16 49.501 13.892 -5.564 169 HZ3 LYS 16 HZ3 LYS 16 48.070 14.744 -5.229 170 H ILE 17 HN ILE 17 42.927 11.389 -2.953 171 HA ILE 17 HA ILE 17 42.994 12.299 -5.669 172 HB ILE 17 HB ILE 17 42.398 9.959 -4.817 173 HG12 ILE 17 HG12 ILE 17 40.362 11.168 -6.751 174 HG13 ILE 17 HG11 ILE 17 42.038 10.783 -7.196 175 HG21 ILE 17 HG21 ILE 17 39.595 11.110 -4.523 176 HG22 ILE 17 HG22 ILE 17 40.695 10.898 -3.141 177 HG23 ILE 17 HG23 ILE 17 40.170 9.484 -4.084 178 HD11 ILE 17 HD1 ILE 17 40.756 8.884 -7.856 179 HD12 ILE 17 HD2 ILE 17 39.833 8.877 -6.337 180 HD13 ILE 17 HD3 ILE 17 41.547 8.397 -6.341 181 H ILE 18 HN ILE 18 41.598 13.734 -3.024 182 HA ILE 18 HA ILE 18 40.071 15.454 -2.791 183 HB ILE 18 HB ILE 18 39.892 15.632 -5.830 184 HG12 ILE 18 HG12 ILE 18 42.031 16.711 -3.935 185 HG13 ILE 18 HG11 ILE 18 42.269 15.572 -5.279 186 HG21 ILE 18 HG21 ILE 18 39.812 17.827 -3.719 187 HG22 ILE 18 HG22 ILE 18 38.349 16.970 -4.264 188 HG23 ILE 18 HG23 ILE 18 39.307 17.921 -5.423 189 HD11 ILE 18 HD1 ILE 18 42.945 17.663 -6.174 190 HD12 ILE 18 HD2 ILE 18 41.593 18.529 -5.407 191 HD13 ILE 18 HD3 ILE 18 41.290 17.452 -6.792 192 H GLY 19 HN GLY 19 38.685 13.692 -1.994 193 HA2 GLY 19 HA1 GLY 19 36.710 12.526 -3.764 194 HA3 GLY 19 HA2 GLY 19 36.698 12.491 -1.991 195 H GLY 20 HN GLY 20 37.035 15.611 -2.334 196 HA2 GLY 20 HA1 GLY 20 35.611 17.441 -2.497 197 HA3 GLY 20 HA2 GLY 20 34.451 16.433 -3.383 198 H ALA 21 HN ALA 21 34.207 14.379 -1.376 199 HA ALA 21 HA ALA 21 32.032 15.357 0.107 200 HB1 ALA 21 HB1 ALA 21 32.400 12.990 -0.126 201 HB2 ALA 21 HB2 ALA 21 32.450 13.376 1.611 202 HB3 ALA 21 HB3 ALA 21 33.964 13.095 0.716 203 H ALA 22 HN ALA 22 35.107 14.408 1.690 204 HA ALA 22 HA ALA 22 34.556 16.137 3.957 205 HB1 ALA 22 HB1 ALA 22 36.830 15.479 4.680 206 HB2 ALA 22 HB2 ALA 22 37.098 14.713 3.096 207 HB3 ALA 22 HB3 ALA 22 35.850 14.075 4.193 208 H LEU 23 HN LEU 23 36.345 16.435 0.939 209 HA LEU 23 HA LEU 23 37.771 18.857 1.780 210 HB2 LEU 23 HB2 LEU 23 37.382 17.405 -0.858 211 HB3 LEU 23 HB1 LEU 23 38.215 18.969 -0.780 212 HG LEU 23 HG LEU 23 39.700 16.883 -0.704 213 HD11 LEU 23 HD11 LEU 23 40.300 19.255 0.184 214 HD12 LEU 23 HD12 LEU 23 41.295 17.887 0.725 215 HD13 LEU 23 HD13 LEU 23 40.061 18.566 1.806 216 HD21 LEU 23 HD21 LEU 23 39.855 15.611 1.335 217 HD22 LEU 23 HD22 LEU 23 38.140 15.633 0.865 218 HD23 LEU 23 HD23 LEU 23 38.719 16.688 2.176 219 H ASP 24 HN ASP 24 35.148 19.245 2.421 220 HA ASP 24 HA ASP 24 34.554 21.642 0.892 221 HB2 ASP 24 HB2 ASP 24 33.659 19.890 -0.654 222 HB3 ASP 24 HB1 ASP 24 32.583 19.336 0.650 223 H HIS 25 HN HIS 25 33.790 19.225 3.314 224 HA HIS 25 HA HIS 25 32.589 19.367 5.299 225 HB2 HIS 25 HB2 HIS 25 34.437 20.987 5.738 226 HB3 HIS 25 HB1 HIS 25 33.394 22.297 5.134 227 HD1 HIS 25 HD1 HIS 25 32.540 19.342 7.443 228 HD2 HIS 25 HD2 HIS 25 32.438 23.545 7.403 229 HE1 HIS 25 HE1 HIS 25 31.484 20.098 9.642 230 H LEU 26 HN LEU 26 30.655 18.980 3.877 231 HA LEU 26 HA LEU 26 28.945 21.253 3.261 232 HB2 LEU 26 HB2 LEU 26 29.048 18.805 2.242 233 HB3 LEU 26 HB1 LEU 26 27.909 18.417 3.548 234 HG LEU 26 HG LEU 26 27.548 20.579 1.421 235 HD11 LEU 26 HD11 LEU 26 25.801 19.144 0.547 236 HD12 LEU 26 HD12 LEU 26 25.973 18.018 1.914 237 HD13 LEU 26 HD13 LEU 26 27.276 18.163 0.711 238 HD21 LEU 26 HD21 LEU 26 26.465 21.404 3.379 239 HD22 LEU 26 HD22 LEU 26 25.916 19.781 3.866 240 HD23 LEU 26 HD23 LEU 26 25.169 20.595 2.470 Start of MODEL 70 1 H1 GLY 1 HT1 GLY 1 53.210 0.220 1.318 2 H2 GLY 1 HT2 GLY 1 53.933 1.717 1.673 3 H3 GLY 1 HT3 GLY 1 54.437 0.310 2.483 4 HA2 GLY 1 HA1 GLY 1 55.471 -0.560 0.648 5 HA3 GLY 1 HA2 GLY 1 54.624 0.567 -0.429 6 H ARG 2 HN ARG 2 55.185 2.581 1.941 7 HA ARG 2 HA ARG 2 56.715 4.289 2.253 8 HB2 ARG 2 HB2 ARG 2 58.695 2.027 1.762 9 HB3 ARG 2 HB1 ARG 2 59.107 3.622 2.435 10 HG2 ARG 2 HG2 ARG 2 57.469 3.226 4.287 11 HG3 ARG 2 HG1 ARG 2 57.177 1.593 3.641 12 HD2 ARG 2 HD2 ARG 2 59.864 2.682 4.590 13 HD3 ARG 2 HD1 ARG 2 58.839 1.523 5.469 14 HE ARG 2 HE ARG 2 60.689 0.803 3.442 15 HH11 ARG 2 HH11 ARG 2 57.874 -0.164 5.040 16 HH12 ARG 2 HH12 ARG 2 57.518 -1.478 3.968 17 HH21 ARG 2 HH21 ARG 2 60.024 -0.667 1.715 18 HH22 ARG 2 HH22 ARG 2 58.736 -1.763 2.086 19 H ARG 3 HN ARG 3 58.733 2.459 -0.048 20 HA ARG 3 HA ARG 3 59.635 3.096 -2.082 21 HB2 ARG 3 HB2 ARG 3 57.257 2.889 -2.777 22 HB3 ARG 3 HB1 ARG 3 57.012 4.610 -2.402 23 HG2 ARG 3 HG2 ARG 3 58.646 5.272 -4.079 24 HG3 ARG 3 HG1 ARG 3 59.094 3.573 -4.371 25 HD2 ARG 3 HD2 ARG 3 57.508 4.514 -6.095 26 HD3 ARG 3 HD1 ARG 3 56.880 3.079 -5.250 27 HE ARG 3 HE ARG 3 56.016 5.409 -3.840 28 HH11 ARG 3 HH11 ARG 3 55.610 6.277 -6.710 29 HH12 ARG 3 HH12 ARG 3 53.997 5.725 -7.014 30 HH21 ARG 3 HH21 ARG 3 53.923 3.600 -4.276 31 HH22 ARG 3 HH22 ARG 3 53.042 4.209 -5.637 32 H LYS 4 HN LYS 4 57.721 6.080 -1.624 33 HA LYS 4 HA LYS 4 60.318 7.618 -1.550 34 HB2 LYS 4 HB2 LYS 4 58.842 9.527 -2.360 35 HB3 LYS 4 HB1 LYS 4 59.074 8.194 -3.517 36 HG2 LYS 4 HG2 LYS 4 56.906 7.289 -3.082 37 HG3 LYS 4 HG1 LYS 4 56.698 8.279 -1.619 38 HD2 LYS 4 HD2 LYS 4 55.395 9.154 -3.572 39 HD3 LYS 4 HD1 LYS 4 56.588 10.322 -2.959 40 HE2 LYS 4 HE2 LYS 4 57.292 8.425 -5.227 41 HE3 LYS 4 HE1 LYS 4 56.444 9.958 -5.539 42 HZ1 LYS 4 HZ1 LYS 4 58.429 10.916 -5.484 43 HZ2 LYS 4 HZ2 LYS 4 59.191 9.508 -4.915 44 HZ3 LYS 4 HZ3 LYS 4 58.490 10.601 -3.818 45 H ARG 5 HN ARG 5 59.691 6.585 0.841 46 HA ARG 5 HA ARG 5 59.120 7.122 3.028 47 HB2 ARG 5 HB2 ARG 5 59.766 9.840 1.834 48 HB3 ARG 5 HB1 ARG 5 59.337 9.653 3.550 49 HG2 ARG 5 HG2 ARG 5 61.801 9.595 3.202 50 HG3 ARG 5 HG1 ARG 5 61.192 8.062 3.867 51 HD2 ARG 5 HD2 ARG 5 61.424 6.932 1.793 52 HD3 ARG 5 HD1 ARG 5 61.511 8.454 0.869 53 HE ARG 5 HE ARG 5 63.720 8.485 2.611 54 HH11 ARG 5 HH11 ARG 5 62.800 7.526 -0.467 55 HH12 ARG 5 HH12 ARG 5 64.176 6.517 -0.758 56 HH21 ARG 5 HH21 ARG 5 65.359 6.736 2.494 57 HH22 ARG 5 HH22 ARG 5 65.625 6.069 0.919 58 H LYS 6 HN LYS 6 56.934 6.303 2.464 59 HA LYS 6 HA LYS 6 54.624 6.514 2.528 60 HB2 LYS 6 HB2 LYS 6 55.163 9.137 3.968 61 HB3 LYS 6 HB1 LYS 6 53.716 8.108 4.093 62 HG2 LYS 6 HG2 LYS 6 55.107 6.278 5.038 63 HG3 LYS 6 HG1 LYS 6 56.541 7.329 4.942 64 HD2 LYS 6 HD2 LYS 6 55.409 8.974 6.439 65 HD3 LYS 6 HD1 LYS 6 54.021 7.867 6.575 66 HE2 LYS 6 HE2 LYS 6 56.887 7.181 7.362 67 HE3 LYS 6 HE1 LYS 6 55.598 7.644 8.499 68 HZ1 LYS 6 HZ1 LYS 6 54.478 5.670 6.981 69 HZ2 LYS 6 HZ2 LYS 6 55.108 5.487 8.549 70 HZ3 LYS 6 HZ3 LYS 6 56.072 5.131 7.196 71 H TRP 7 HN TRP 7 52.885 8.663 2.444 72 HA TRP 7 HA TRP 7 51.864 10.073 0.916 73 HB2 TRP 7 HB2 TRP 7 54.615 10.778 -0.158 74 HB3 TRP 7 HB1 TRP 7 53.160 11.799 -0.066 75 HD1 TRP 7 HD1 TRP 7 52.390 11.127 2.968 76 HE1 TRP 7 HE1 TRP 7 53.799 12.128 4.910 77 HE3 TRP 7 HE3 TRP 7 56.706 12.131 0.403 78 HZ2 TRP 7 HZ2 TRP 7 56.442 13.210 5.269 79 HZ3 TRP 7 HZ3 TRP 7 58.659 13.149 1.567 80 HH2 TRP 7 HH2 TRP 7 58.531 13.689 3.995 81 H LEU 8 HN LEU 8 53.203 7.272 0.157 82 HA LEU 8 HA LEU 8 53.423 7.462 -2.739 83 HB2 LEU 8 HB2 LEU 8 53.450 4.969 -2.639 84 HB3 LEU 8 HB1 LEU 8 54.640 5.742 -1.575 85 HG LEU 8 HG LEU 8 52.585 5.541 0.215 86 HD11 LEU 8 HD11 LEU 8 52.149 3.264 -1.773 87 HD12 LEU 8 HD12 LEU 8 50.959 4.458 -1.210 88 HD13 LEU 8 HD13 LEU 8 51.572 3.223 -0.094 89 HD21 LEU 8 HD21 LEU 8 54.864 4.641 0.528 90 HD22 LEU 8 HD22 LEU 8 54.480 3.267 -0.534 91 HD23 LEU 8 HD23 LEU 8 53.646 3.447 1.027 92 H ARG 9 HN ARG 9 50.870 8.355 -1.291 93 HA ARG 9 HA ARG 9 48.616 8.351 -1.757 94 HB2 ARG 9 HB2 ARG 9 49.373 6.852 -4.298 95 HB3 ARG 9 HB1 ARG 9 47.873 7.750 -4.001 96 HG2 ARG 9 HG2 ARG 9 50.573 9.139 -3.781 97 HG3 ARG 9 HG1 ARG 9 49.794 8.919 -5.361 98 HD2 ARG 9 HD2 ARG 9 48.594 10.358 -2.949 99 HD3 ARG 9 HD1 ARG 9 49.199 11.113 -4.440 100 HE ARG 9 HE ARG 9 46.596 9.906 -4.110 101 HH11 ARG 9 HH11 ARG 9 47.138 8.014 -6.078 102 HH12 ARG 9 HH12 ARG 9 47.085 8.856 -7.590 103 HH21 ARG 9 HH21 ARG 9 47.430 11.995 -6.156 104 HH22 ARG 9 HH22 ARG 9 47.250 11.110 -7.634 105 H ARG 10 HN ARG 10 49.503 6.369 -0.031 106 HA ARG 10 HA ARG 10 48.629 3.739 -0.701 107 HB2 ARG 10 HB2 ARG 10 48.101 3.834 1.990 108 HB3 ARG 10 HB1 ARG 10 49.742 3.663 1.330 109 HG2 ARG 10 HG2 ARG 10 50.223 5.981 1.599 110 HG3 ARG 10 HG1 ARG 10 48.512 6.397 1.843 111 HD2 ARG 10 HD2 ARG 10 48.494 5.168 3.978 112 HD3 ARG 10 HD1 ARG 10 50.186 4.675 3.725 113 HE ARG 10 HE ARG 10 49.904 7.560 3.624 114 HH11 ARG 10 HH11 ARG 10 48.577 7.354 6.133 115 HH12 ARG 10 HH12 ARG 10 49.842 7.113 7.293 116 HH21 ARG 10 HH21 ARG 10 52.185 6.150 4.926 117 HH22 ARG 10 HH22 ARG 10 51.884 6.431 6.608 118 H ILE 11 HN ILE 11 46.860 5.711 1.682 119 HA ILE 11 HA ILE 11 44.296 4.700 0.516 120 HB ILE 11 HB ILE 11 44.594 4.353 2.938 121 HG12 ILE 11 HG12 ILE 11 42.585 5.453 3.786 122 HG13 ILE 11 HG11 ILE 11 42.652 6.675 2.503 123 HG21 ILE 11 HG21 ILE 11 46.223 6.176 3.322 124 HG22 ILE 11 HG22 ILE 11 44.865 6.276 4.466 125 HG23 ILE 11 HG23 ILE 11 44.938 7.381 3.074 126 HD11 ILE 11 HD1 ILE 11 41.020 4.634 2.225 127 HD12 ILE 11 HD2 ILE 11 42.490 3.723 1.803 128 HD13 ILE 11 HD3 ILE 11 42.003 5.130 0.828 129 H GLY 12 HN GLY 12 46.339 7.472 0.634 130 HA2 GLY 12 HA1 GLY 12 44.456 9.583 0.560 131 HA3 GLY 12 HA2 GLY 12 46.039 9.593 -0.248 132 H LYS 13 HN LYS 13 45.509 7.312 -1.922 133 HA LYS 13 HA LYS 13 44.522 8.532 -4.244 134 HB2 LYS 13 HB2 LYS 13 45.743 6.367 -4.143 135 HB3 LYS 13 HB1 LYS 13 44.287 5.607 -3.458 136 HG2 LYS 13 HG2 LYS 13 43.021 6.015 -5.463 137 HG3 LYS 13 HG1 LYS 13 44.286 7.080 -6.119 138 HD2 LYS 13 HD2 LYS 13 44.346 4.811 -7.160 139 HD3 LYS 13 HD1 LYS 13 45.845 5.183 -6.277 140 HE2 LYS 13 HE2 LYS 13 44.776 2.841 -5.906 141 HE3 LYS 13 HE1 LYS 13 45.273 3.753 -4.463 142 HZ1 LYS 13 HZ1 LYS 13 42.970 2.735 -4.439 143 HZ2 LYS 13 HZ2 LYS 13 42.524 3.914 -5.576 144 HZ3 LYS 13 HZ3 LYS 13 43.064 4.379 -4.034 145 H GLY 14 HN GLY 14 42.809 7.484 -1.458 146 HA2 GLY 14 HA1 GLY 14 40.198 7.395 -2.926 147 HA3 GLY 14 HA2 GLY 14 40.512 6.782 -1.291 148 H VAL 15 HN VAL 15 41.895 9.025 -0.218 149 HA VAL 15 HA VAL 15 39.585 10.966 -0.069 150 HB VAL 15 HB VAL 15 40.604 11.614 2.149 151 HG11 VAL 15 HG11 VAL 15 39.809 9.551 3.310 152 HG12 VAL 15 HG12 VAL 15 39.806 8.696 1.749 153 HG13 VAL 15 HG13 VAL 15 38.700 10.064 2.018 154 HG21 VAL 15 HG21 VAL 15 42.896 10.846 1.820 155 HG22 VAL 15 HG22 VAL 15 42.340 9.178 1.540 156 HG23 VAL 15 HG23 VAL 15 42.178 9.912 3.151 157 H LYS 16 HN LYS 16 43.156 10.725 -0.261 158 HA LYS 16 HA LYS 16 43.548 13.589 -0.313 159 HB2 LYS 16 HB2 LYS 16 45.285 11.806 0.231 160 HB3 LYS 16 HB1 LYS 16 45.384 11.487 -1.517 161 HG2 LYS 16 HG2 LYS 16 45.863 13.953 -1.858 162 HG3 LYS 16 HG1 LYS 16 45.970 14.119 -0.091 163 HD2 LYS 16 HD2 LYS 16 47.664 12.215 -1.772 164 HD3 LYS 16 HD1 LYS 16 48.209 13.798 -1.170 165 HE2 LYS 16 HE2 LYS 16 47.514 12.876 1.193 166 HE3 LYS 16 HE1 LYS 16 47.580 11.282 0.402 167 HZ1 LYS 16 HZ1 LYS 16 49.845 11.740 -0.271 168 HZ2 LYS 16 HZ2 LYS 16 49.697 11.896 1.415 169 HZ3 LYS 16 HZ3 LYS 16 49.785 13.281 0.435 170 H ILE 17 HN ILE 17 42.842 11.144 -2.766 171 HA ILE 17 HA ILE 17 43.647 12.364 -5.120 172 HB ILE 17 HB ILE 17 42.410 10.188 -4.942 173 HG12 ILE 17 HG12 ILE 17 41.178 12.177 -6.904 174 HG13 ILE 17 HG11 ILE 17 42.760 11.391 -7.118 175 HG21 ILE 17 HG21 ILE 17 40.581 11.235 -3.448 176 HG22 ILE 17 HG22 ILE 17 40.037 10.112 -4.713 177 HG23 ILE 17 HG23 ILE 17 39.873 11.867 -4.953 178 HD11 ILE 17 HD1 ILE 17 41.495 9.150 -6.861 179 HD12 ILE 17 HD2 ILE 17 41.228 10.054 -8.369 180 HD13 ILE 17 HD3 ILE 17 40.006 10.102 -7.077 181 H ILE 18 HN ILE 18 41.271 13.534 -2.857 182 HA ILE 18 HA ILE 18 41.062 16.040 -4.341 183 HB ILE 18 HB ILE 18 39.392 14.602 -5.563 184 HG12 ILE 18 HG12 ILE 18 38.178 16.846 -3.880 185 HG13 ILE 18 HG11 ILE 18 39.172 17.092 -5.335 186 HG21 ILE 18 HG21 ILE 18 37.765 14.690 -2.990 187 HG22 ILE 18 HG22 ILE 18 38.798 13.301 -3.404 188 HG23 ILE 18 HG23 ILE 18 37.447 13.753 -4.471 189 HD11 ILE 18 HD1 ILE 18 36.435 15.786 -5.131 190 HD12 ILE 18 HD2 ILE 18 37.476 15.579 -6.559 191 HD13 ILE 18 HD3 ILE 18 36.911 17.202 -6.096 192 H GLY 19 HN GLY 19 39.756 13.917 -1.784 193 HA2 GLY 19 HA1 GLY 19 39.340 14.393 0.446 194 HA3 GLY 19 HA2 GLY 19 40.234 15.913 0.239 195 H GLY 20 HN GLY 20 37.125 14.415 -0.756 196 HA2 GLY 20 HA1 GLY 20 35.550 16.439 0.524 197 HA3 GLY 20 HA2 GLY 20 35.730 16.832 -1.197 198 H ALA 21 HN ALA 21 35.462 14.725 -2.637 199 HA ALA 21 HA ALA 21 32.740 14.035 -2.580 200 HB1 ALA 21 HB1 ALA 21 34.195 13.689 -4.525 201 HB2 ALA 21 HB2 ALA 21 33.353 12.182 -4.093 202 HB3 ALA 21 HB3 ALA 21 35.066 12.403 -3.658 203 H ALA 22 HN ALA 22 35.383 11.727 -1.801 204 HA ALA 22 HA ALA 22 33.554 9.976 -0.378 205 HB1 ALA 22 HB1 ALA 22 35.632 8.778 0.271 206 HB2 ALA 22 HB2 ALA 22 36.591 10.101 -0.435 207 HB3 ALA 22 HB3 ALA 22 35.549 9.101 -1.478 208 H LEU 23 HN LEU 23 35.698 12.634 0.476 209 HA LEU 23 HA LEU 23 35.551 12.105 3.358 210 HB2 LEU 23 HB2 LEU 23 37.469 13.276 2.150 211 HB3 LEU 23 HB1 LEU 23 36.378 14.662 1.939 212 HG LEU 23 HG LEU 23 36.030 14.478 4.555 213 HD11 LEU 23 HD11 LEU 23 37.186 12.382 4.981 214 HD12 LEU 23 HD12 LEU 23 38.160 13.689 5.685 215 HD13 LEU 23 HD13 LEU 23 38.645 12.954 4.140 216 HD21 LEU 23 HD21 LEU 23 37.145 16.371 3.431 217 HD22 LEU 23 HD22 LEU 23 38.660 15.439 3.338 218 HD23 LEU 23 HD23 LEU 23 38.015 15.935 4.922 219 H ASP 24 HN ASP 24 33.042 11.948 2.890 220 HA ASP 24 HA ASP 24 31.888 14.266 4.199 221 HB2 ASP 24 HB2 ASP 24 32.083 15.096 1.827 222 HB3 ASP 24 HB1 ASP 24 31.000 13.773 1.331 223 H HIS 25 HN HIS 25 31.921 11.091 3.007 224 HA HIS 25 HA HIS 25 29.076 10.510 3.451 225 HB2 HIS 25 HB2 HIS 25 30.468 9.263 1.804 226 HB3 HIS 25 HB1 HIS 25 31.446 8.624 3.146 227 HD1 HIS 25 HD1 HIS 25 27.806 8.681 1.927 228 HD2 HIS 25 HD2 HIS 25 30.388 6.323 4.261 229 HE1 HIS 25 HE1 HIS 25 26.513 6.588 2.615 230 H LEU 26 HN LEU 26 32.157 9.585 5.062 231 HA LEU 26 HA LEU 26 32.539 8.818 7.223 232 HB2 LEU 26 HB2 LEU 26 30.406 10.944 7.614 233 HB3 LEU 26 HB1 LEU 26 31.089 10.065 9.002 234 HG LEU 26 HG LEU 26 33.345 10.804 8.426 235 HD11 LEU 26 HD11 LEU 26 33.352 10.849 6.039 236 HD12 LEU 26 HD12 LEU 26 33.540 12.549 6.524 237 HD13 LEU 26 HD13 LEU 26 31.956 11.951 5.972 238 HD21 LEU 26 HD21 LEU 26 31.957 12.321 9.795 239 HD22 LEU 26 HD22 LEU 26 31.319 13.087 8.320 240 HD23 LEU 26 HD23 LEU 26 33.041 13.258 8.739 Start of MODEL 71 1 H1 GLY 1 HT1 GLY 1 62.867 2.775 -5.843 2 H2 GLY 1 HT2 GLY 1 63.428 1.202 -6.156 3 H3 GLY 1 HT3 GLY 1 64.141 2.135 -4.927 4 HA2 GLY 1 HA1 GLY 1 61.704 0.601 -4.944 5 HA3 GLY 1 HA2 GLY 1 62.838 0.940 -3.622 6 H ARG 2 HN ARG 2 62.474 2.604 -2.237 7 HA ARG 2 HA ARG 2 59.830 3.589 -1.959 8 HB2 ARG 2 HB2 ARG 2 62.503 4.580 -0.902 9 HB3 ARG 2 HB1 ARG 2 60.963 5.351 -0.459 10 HG2 ARG 2 HG2 ARG 2 61.544 3.699 1.245 11 HG3 ARG 2 HG1 ARG 2 60.122 3.127 0.344 12 HD2 ARG 2 HD2 ARG 2 61.371 1.491 -0.829 13 HD3 ARG 2 HD1 ARG 2 62.925 2.293 -0.488 14 HE ARG 2 HE ARG 2 62.997 1.045 1.501 15 HH11 ARG 2 HH11 ARG 2 61.237 1.840 3.367 16 HH12 ARG 2 HH12 ARG 2 59.896 0.743 3.360 17 HH21 ARG 2 HH21 ARG 2 60.622 -0.541 0.222 18 HH22 ARG 2 HH22 ARG 2 59.549 -0.606 1.580 19 H ARG 3 HN ARG 3 59.025 4.435 -3.876 20 HA ARG 3 HA ARG 3 60.361 6.380 -5.481 21 HB2 ARG 3 HB2 ARG 3 58.364 5.087 -6.201 22 HB3 ARG 3 HB1 ARG 3 57.369 6.016 -5.054 23 HG2 ARG 3 HG2 ARG 3 57.837 8.091 -6.217 24 HG3 ARG 3 HG1 ARG 3 59.042 7.293 -7.257 25 HD2 ARG 3 HD2 ARG 3 56.858 7.609 -8.424 26 HD3 ARG 3 HD1 ARG 3 57.291 5.889 -8.261 27 HE ARG 3 HE ARG 3 55.632 6.848 -6.055 28 HH11 ARG 3 HH11 ARG 3 53.415 7.374 -7.233 29 HH12 ARG 3 HH12 ARG 3 52.813 5.989 -8.081 30 HH21 ARG 3 HH21 ARG 3 55.847 4.310 -8.037 31 HH22 ARG 3 HH22 ARG 3 54.188 4.254 -8.537 32 H LYS 4 HN LYS 4 58.230 6.687 -2.640 33 HA LYS 4 HA LYS 4 59.317 9.346 -2.094 34 HB2 LYS 4 HB2 LYS 4 57.507 9.690 -3.898 35 HB3 LYS 4 HB1 LYS 4 56.331 9.205 -2.655 36 HG2 LYS 4 HG2 LYS 4 57.049 11.037 -1.197 37 HG3 LYS 4 HG1 LYS 4 58.343 11.479 -2.336 38 HD2 LYS 4 HD2 LYS 4 56.625 11.941 -4.081 39 HD3 LYS 4 HD1 LYS 4 55.347 11.561 -2.901 40 HE2 LYS 4 HE2 LYS 4 57.463 13.700 -2.434 41 HE3 LYS 4 HE1 LYS 4 55.872 14.040 -3.156 42 HZ1 LYS 4 HZ1 LYS 4 54.892 12.954 -1.142 43 HZ2 LYS 4 HZ2 LYS 4 55.693 14.421 -0.840 44 HZ3 LYS 4 HZ3 LYS 4 56.440 12.945 -0.452 45 H ARG 5 HN ARG 5 59.591 7.216 -0.534 46 HA ARG 5 HA ARG 5 59.053 6.266 1.528 47 HB2 ARG 5 HB2 ARG 5 58.316 9.193 1.902 48 HB3 ARG 5 HB1 ARG 5 58.310 8.025 3.244 49 HG2 ARG 5 HG2 ARG 5 60.468 9.213 3.148 50 HG3 ARG 5 HG1 ARG 5 60.691 7.487 2.785 51 HD2 ARG 5 HD2 ARG 5 61.074 7.888 0.493 52 HD3 ARG 5 HD1 ARG 5 60.245 9.464 0.524 53 HE ARG 5 HE ARG 5 62.448 9.755 2.229 54 HH11 ARG 5 HH11 ARG 5 63.824 7.856 0.384 55 HH12 ARG 5 HH12 ARG 5 64.460 8.915 -0.831 56 HH21 ARG 5 HH21 ARG 5 62.417 11.577 0.044 57 HH22 ARG 5 HH22 ARG 5 63.663 11.022 -1.023 58 H LYS 6 HN LYS 6 57.136 6.619 3.421 59 HA LYS 6 HA LYS 6 54.816 5.392 2.126 60 HB2 LYS 6 HB2 LYS 6 55.014 6.329 5.010 61 HB3 LYS 6 HB1 LYS 6 54.003 5.027 4.339 62 HG2 LYS 6 HG2 LYS 6 57.051 5.040 4.496 63 HG3 LYS 6 HG1 LYS 6 55.950 4.077 5.508 64 HD2 LYS 6 HD2 LYS 6 55.040 3.115 3.264 65 HD3 LYS 6 HD1 LYS 6 56.507 3.807 2.531 66 HE2 LYS 6 HE2 LYS 6 57.910 2.525 4.123 67 HE3 LYS 6 HE1 LYS 6 56.443 1.824 4.847 68 HZ1 LYS 6 HZ1 LYS 6 56.902 1.606 1.940 69 HZ2 LYS 6 HZ2 LYS 6 55.998 0.597 2.966 70 HZ3 LYS 6 HZ3 LYS 6 57.696 0.543 2.998 71 H TRP 7 HN TRP 7 54.681 7.497 0.754 72 HA TRP 7 HA TRP 7 52.379 8.993 1.825 73 HB2 TRP 7 HB2 TRP 7 55.019 10.379 1.199 74 HB3 TRP 7 HB1 TRP 7 53.460 11.218 1.381 75 HD1 TRP 7 HD1 TRP 7 56.277 9.698 3.344 76 HE1 TRP 7 HE1 TRP 7 55.845 9.934 5.897 77 HE3 TRP 7 HE3 TRP 7 51.398 11.246 3.198 78 HZ2 TRP 7 HZ2 TRP 7 53.662 10.696 7.614 79 HZ3 TRP 7 HZ3 TRP 7 50.161 11.721 5.305 80 HH2 TRP 7 HH2 TRP 7 51.286 11.448 7.511 81 H LEU 8 HN LEU 8 53.741 7.301 -0.524 82 HA LEU 8 HA LEU 8 53.662 8.770 -2.902 83 HB2 LEU 8 HB2 LEU 8 52.339 6.078 -3.065 84 HB3 LEU 8 HB1 LEU 8 53.722 6.728 -3.972 85 HG LEU 8 HG LEU 8 54.981 6.527 -1.623 86 HD11 LEU 8 HD11 LEU 8 53.002 4.234 -1.296 87 HD12 LEU 8 HD12 LEU 8 52.680 5.815 -0.551 88 HD13 LEU 8 HD13 LEU 8 54.144 4.904 -0.108 89 HD21 LEU 8 HD21 LEU 8 55.632 5.262 -3.612 90 HD22 LEU 8 HD22 LEU 8 54.264 4.144 -3.394 91 HD23 LEU 8 HD23 LEU 8 55.597 4.162 -2.214 92 H ARG 9 HN ARG 9 50.913 6.748 -1.782 93 HA ARG 9 HA ARG 9 48.999 8.890 -2.043 94 HB2 ARG 9 HB2 ARG 9 47.742 7.712 -4.008 95 HB3 ARG 9 HB1 ARG 9 49.125 8.759 -4.396 96 HG2 ARG 9 HG2 ARG 9 49.251 6.643 -5.658 97 HG3 ARG 9 HG1 ARG 9 50.606 6.773 -4.518 98 HD2 ARG 9 HD2 ARG 9 49.690 5.151 -3.057 99 HD3 ARG 9 HD1 ARG 9 48.046 5.345 -3.717 100 HE ARG 9 HE ARG 9 49.799 4.398 -5.783 101 HH11 ARG 9 HH11 ARG 9 47.363 3.553 -3.633 102 HH12 ARG 9 HH12 ARG 9 47.651 1.847 -3.704 103 HH21 ARG 9 HH21 ARG 9 50.572 2.147 -5.548 104 HH22 ARG 9 HH22 ARG 9 49.468 1.050 -4.787 105 H ARG 10 HN ARG 10 49.975 6.500 -0.422 106 HA ARG 10 HA ARG 10 48.172 4.389 -0.315 107 HB2 ARG 10 HB2 ARG 10 48.473 4.739 2.329 108 HB3 ARG 10 HB1 ARG 10 49.838 4.233 1.310 109 HG2 ARG 10 HG2 ARG 10 50.812 6.388 1.291 110 HG3 ARG 10 HG1 ARG 10 49.299 7.192 1.770 111 HD2 ARG 10 HD2 ARG 10 49.452 6.087 4.009 112 HD3 ARG 10 HD1 ARG 10 51.002 5.358 3.523 113 HE ARG 10 HE ARG 10 51.393 8.070 3.094 114 HH11 ARG 10 HH11 ARG 10 52.616 6.347 5.337 115 HH12 ARG 10 HH12 ARG 10 52.207 7.297 6.726 116 HH21 ARG 10 HH21 ARG 10 49.851 9.214 5.052 117 HH22 ARG 10 HH22 ARG 10 50.642 8.920 6.566 118 H ILE 11 HN ILE 11 47.683 6.739 2.275 119 HA ILE 11 HA ILE 11 44.800 6.384 2.102 120 HB ILE 11 HB ILE 11 45.876 6.733 4.294 121 HG12 ILE 11 HG12 ILE 11 44.446 8.502 5.188 122 HG13 ILE 11 HG11 ILE 11 44.227 9.209 3.575 123 HG21 ILE 11 HG21 ILE 11 46.586 9.511 3.259 124 HG22 ILE 11 HG22 ILE 11 47.740 8.165 3.402 125 HG23 ILE 11 HG23 ILE 11 46.972 8.836 4.859 126 HD11 ILE 11 HD1 ILE 11 43.443 6.321 4.097 127 HD12 ILE 11 HD2 ILE 11 42.836 7.440 2.851 128 HD13 ILE 11 HD3 ILE 11 42.346 7.649 4.547 129 H GLY 12 HN GLY 12 47.152 8.528 0.742 130 HA2 GLY 12 HA1 GLY 12 45.599 10.874 0.382 131 HA3 GLY 12 HA2 GLY 12 46.915 10.336 -0.685 132 H LYS 13 HN LYS 13 45.863 7.941 -1.645 133 HA LYS 13 HA LYS 13 44.296 8.802 -3.822 134 HB2 LYS 13 HB2 LYS 13 45.482 6.659 -3.786 135 HB3 LYS 13 HB1 LYS 13 44.419 6.062 -2.497 136 HG2 LYS 13 HG2 LYS 13 42.975 7.066 -4.932 137 HG3 LYS 13 HG1 LYS 13 43.984 5.637 -5.216 138 HD2 LYS 13 HD2 LYS 13 41.895 5.843 -2.992 139 HD3 LYS 13 HD1 LYS 13 41.606 5.095 -4.575 140 HE2 LYS 13 HE2 LYS 13 43.862 3.728 -3.870 141 HE3 LYS 13 HE1 LYS 13 43.210 4.071 -2.250 142 HZ1 LYS 13 HZ1 LYS 13 42.355 1.997 -3.152 143 HZ2 LYS 13 HZ2 LYS 13 41.707 2.816 -4.491 144 HZ3 LYS 13 HZ3 LYS 13 41.104 3.120 -2.933 145 H GLY 14 HN GLY 14 43.439 8.475 -0.549 146 HA2 GLY 14 HA1 GLY 14 40.528 8.133 -1.143 147 HA3 GLY 14 HA2 GLY 14 41.310 8.011 0.443 148 H VAL 15 HN VAL 15 42.911 10.504 -0.011 149 HA VAL 15 HA VAL 15 40.659 12.514 0.195 150 HB VAL 15 HB VAL 15 42.028 13.677 1.950 151 HG11 VAL 15 HG11 VAL 15 41.424 12.091 3.767 152 HG12 VAL 15 HG12 VAL 15 41.197 10.805 2.559 153 HG13 VAL 15 HG13 VAL 15 40.125 12.225 2.557 154 HG21 VAL 15 HG21 VAL 15 43.734 12.191 3.136 155 HG22 VAL 15 HG22 VAL 15 44.237 12.784 1.537 156 HG23 VAL 15 HG23 VAL 15 43.661 11.110 1.725 157 H LYS 16 HN LYS 16 44.153 11.974 -0.412 158 HA LYS 16 HA LYS 16 44.810 14.585 -1.244 159 HB2 LYS 16 HB2 LYS 16 46.408 12.680 -0.929 160 HB3 LYS 16 HB1 LYS 16 45.829 11.978 -2.454 161 HG2 LYS 16 HG2 LYS 16 46.704 14.864 -2.601 162 HG3 LYS 16 HG1 LYS 16 47.992 13.687 -2.285 163 HD2 LYS 16 HD2 LYS 16 47.265 12.381 -4.291 164 HD3 LYS 16 HD1 LYS 16 46.044 13.630 -4.634 165 HE2 LYS 16 HE2 LYS 16 47.902 15.336 -4.695 166 HE3 LYS 16 HE1 LYS 16 49.067 13.998 -4.547 167 HZ1 LYS 16 HZ1 LYS 16 47.018 14.216 -6.696 168 HZ2 LYS 16 HZ2 LYS 16 48.256 13.059 -6.581 169 HZ3 LYS 16 HZ3 LYS 16 48.638 14.689 -6.867 170 H ILE 17 HN ILE 17 43.688 11.835 -3.272 171 HA ILE 17 HA ILE 17 43.458 13.510 -5.634 172 HB ILE 17 HB ILE 17 43.770 10.914 -5.478 173 HG12 ILE 17 HG12 ILE 17 42.136 10.685 -7.606 174 HG13 ILE 17 HG11 ILE 17 42.023 12.449 -7.431 175 HG21 ILE 17 HG21 ILE 17 41.824 9.549 -5.338 176 HG22 ILE 17 HG22 ILE 17 40.732 10.948 -5.476 177 HG23 ILE 17 HG23 ILE 17 41.686 10.706 -3.992 178 HD11 ILE 17 HD1 ILE 17 43.833 11.970 -8.965 179 HD12 ILE 17 HD2 ILE 17 44.546 10.790 -7.841 180 HD13 ILE 17 HD3 ILE 17 44.565 12.523 -7.442 181 H ILE 18 HN ILE 18 41.871 13.866 -2.896 182 HA ILE 18 HA ILE 18 39.813 14.757 -2.313 183 HB ILE 18 HB ILE 18 39.407 15.389 -5.266 184 HG12 ILE 18 HG12 ILE 18 41.073 16.860 -3.171 185 HG13 ILE 18 HG11 ILE 18 41.682 16.080 -4.650 186 HG21 ILE 18 HG21 ILE 18 38.653 16.997 -2.791 187 HG22 ILE 18 HG22 ILE 18 37.570 15.776 -3.501 188 HG23 ILE 18 HG23 ILE 18 38.054 17.195 -4.455 189 HD11 ILE 18 HD1 ILE 18 40.042 17.662 -5.919 190 HD12 ILE 18 HD2 ILE 18 41.523 18.375 -5.237 191 HD13 ILE 18 HD3 ILE 18 39.971 18.576 -4.392 192 H GLY 19 HN GLY 19 39.091 12.589 -1.807 193 HA2 GLY 19 HA1 GLY 19 37.633 11.042 -3.779 194 HA3 GLY 19 HA2 GLY 19 37.665 10.770 -2.025 195 H GLY 20 HN GLY 20 35.668 11.374 -4.541 196 HA2 GLY 20 HA1 GLY 20 33.982 13.476 -3.844 197 HA3 GLY 20 HA2 GLY 20 33.428 11.962 -4.588 198 H ALA 21 HN ALA 21 33.782 10.092 -2.661 199 HA ALA 21 HA ALA 21 31.509 10.347 -1.045 200 HB1 ALA 21 HB1 ALA 21 34.058 8.787 -0.501 201 HB2 ALA 21 HB2 ALA 21 32.635 8.220 -1.409 202 HB3 ALA 21 HB3 ALA 21 32.509 8.538 0.339 203 H ALA 22 HN ALA 22 34.891 11.214 -0.292 204 HA ALA 22 HA ALA 22 34.264 12.020 2.437 205 HB1 ALA 22 HB1 ALA 22 36.521 11.277 1.637 206 HB2 ALA 22 HB2 ALA 22 36.536 12.835 2.497 207 HB3 ALA 22 HB3 ALA 22 36.645 12.797 0.720 208 H LEU 23 HN LEU 23 34.509 13.621 -0.718 209 HA LEU 23 HA LEU 23 34.233 16.305 0.431 210 HB2 LEU 23 HB2 LEU 23 35.409 15.673 -1.769 211 HB3 LEU 23 HB1 LEU 23 33.783 15.479 -2.457 212 HG LEU 23 HG LEU 23 33.374 17.915 -1.442 213 HD11 LEU 23 HD11 LEU 23 35.503 18.136 -0.243 214 HD12 LEU 23 HD12 LEU 23 35.469 19.296 -1.587 215 HD13 LEU 23 HD13 LEU 23 36.415 17.797 -1.732 216 HD21 LEU 23 HD21 LEU 23 35.085 17.394 -3.915 217 HD22 LEU 23 HD22 LEU 23 34.216 18.909 -3.576 218 HD23 LEU 23 HD23 LEU 23 33.307 17.401 -3.843 219 H ASP 24 HN ASP 24 32.228 14.905 1.550 220 HA ASP 24 HA ASP 24 29.892 16.355 0.612 221 HB2 ASP 24 HB2 ASP 24 29.993 14.449 -1.039 222 HB3 ASP 24 HB1 ASP 24 29.791 13.328 0.329 223 H HIS 25 HN HIS 25 30.811 13.324 2.320 224 HA HIS 25 HA HIS 25 28.833 13.836 4.432 225 HB2 HIS 25 HB2 HIS 25 29.470 11.539 3.666 226 HB3 HIS 25 HB1 HIS 25 31.097 11.805 4.336 227 HD1 HIS 25 HD1 HIS 25 31.414 11.126 6.715 228 HD2 HIS 25 HD2 HIS 25 27.397 12.019 5.857 229 HE1 HIS 25 HE1 HIS 25 30.052 10.593 8.809 230 H LEU 26 HN LEU 26 29.436 15.858 5.293 231 HA LEU 26 HA LEU 26 32.055 16.539 6.170 232 HB2 LEU 26 HB2 LEU 26 29.272 17.383 7.049 233 HB3 LEU 26 HB1 LEU 26 30.725 18.037 7.842 234 HG LEU 26 HG LEU 26 31.570 18.821 5.644 235 HD11 LEU 26 HD11 LEU 26 30.649 17.296 4.064 236 HD12 LEU 26 HD12 LEU 26 29.801 18.824 3.742 237 HD13 LEU 26 HD13 LEU 26 28.991 17.535 4.667 238 HD21 LEU 26 HD21 LEU 26 29.936 20.640 5.341 239 HD22 LEU 26 HD22 LEU 26 30.137 20.284 7.074 240 HD23 LEU 26 HD23 LEU 26 28.699 19.696 6.204 Start of MODEL 72 1 H1 GLY 1 HT1 GLY 1 60.343 -3.005 -1.873 2 H2 GLY 1 HT2 GLY 1 59.400 -2.378 -0.605 3 H3 GLY 1 HT3 GLY 1 60.975 -1.795 -0.868 4 HA2 GLY 1 HA1 GLY 1 60.231 -1.064 -3.097 5 HA3 GLY 1 HA2 GLY 1 58.586 -1.426 -2.540 6 H ARG 2 HN ARG 2 61.521 0.177 -1.216 7 HA ARG 2 HA ARG 2 60.098 1.983 0.458 8 HB2 ARG 2 HB2 ARG 2 62.775 2.442 -0.919 9 HB3 ARG 2 HB1 ARG 2 62.178 3.257 0.547 10 HG2 ARG 2 HG2 ARG 2 62.087 1.079 1.724 11 HG3 ARG 2 HG1 ARG 2 62.687 0.263 0.261 12 HD2 ARG 2 HD2 ARG 2 64.768 1.578 0.355 13 HD3 ARG 2 HD1 ARG 2 64.169 2.449 1.787 14 HE ARG 2 HE ARG 2 64.757 0.568 3.087 15 HH11 ARG 2 HH11 ARG 2 65.717 0.037 -0.076 16 HH12 ARG 2 HH12 ARG 2 65.776 -1.690 0.040 17 HH21 ARG 2 HH21 ARG 2 64.306 -1.793 3.179 18 HH22 ARG 2 HH22 ARG 2 64.976 -2.726 1.884 19 H ARG 3 HN ARG 3 61.832 2.904 -2.556 20 HA ARG 3 HA ARG 3 61.401 4.655 -4.024 21 HB2 ARG 3 HB2 ARG 3 58.583 3.607 -3.548 22 HB3 ARG 3 HB1 ARG 3 59.011 4.774 -4.823 23 HG2 ARG 3 HG2 ARG 3 60.653 3.148 -5.746 24 HG3 ARG 3 HG1 ARG 3 60.181 1.975 -4.492 25 HD2 ARG 3 HD2 ARG 3 58.920 1.382 -6.442 26 HD3 ARG 3 HD1 ARG 3 57.776 2.222 -5.368 27 HE ARG 3 HE ARG 3 58.884 4.205 -7.036 28 HH11 ARG 3 HH11 ARG 3 56.251 2.173 -6.787 29 HH12 ARG 3 HH12 ARG 3 55.792 2.256 -8.455 30 HH21 ARG 3 HH21 ARG 3 58.662 3.935 -9.437 31 HH22 ARG 3 HH22 ARG 3 57.157 3.251 -9.955 32 H LYS 4 HN LYS 4 58.231 5.115 -2.567 33 HA LYS 4 HA LYS 4 59.109 7.841 -1.648 34 HB2 LYS 4 HB2 LYS 4 56.324 6.711 -2.124 35 HB3 LYS 4 HB1 LYS 4 56.715 8.388 -1.709 36 HG2 LYS 4 HG2 LYS 4 57.944 7.090 -4.171 37 HG3 LYS 4 HG1 LYS 4 56.303 7.763 -4.235 38 HD2 LYS 4 HD2 LYS 4 57.213 9.952 -3.391 39 HD3 LYS 4 HD1 LYS 4 58.852 9.266 -3.495 40 HE2 LYS 4 HE2 LYS 4 58.586 8.893 -5.901 41 HE3 LYS 4 HE1 LYS 4 56.901 9.462 -5.827 42 HZ1 LYS 4 HZ1 LYS 4 59.015 11.027 -6.377 43 HZ2 LYS 4 HZ2 LYS 4 58.853 11.284 -4.705 44 HZ3 LYS 4 HZ3 LYS 4 57.546 11.592 -5.745 45 H ARG 5 HN ARG 5 58.939 8.459 0.451 46 HA ARG 5 HA ARG 5 58.703 6.358 2.438 47 HB2 ARG 5 HB2 ARG 5 58.631 9.359 2.915 48 HB3 ARG 5 HB1 ARG 5 59.123 8.087 4.057 49 HG2 ARG 5 HG2 ARG 5 60.545 8.739 1.433 50 HG3 ARG 5 HG1 ARG 5 61.085 9.254 3.047 51 HD2 ARG 5 HD2 ARG 5 61.007 6.706 3.648 52 HD3 ARG 5 HD1 ARG 5 60.992 6.454 1.885 53 HE ARG 5 HE ARG 5 63.108 8.192 2.250 54 HH11 ARG 5 HH11 ARG 5 63.253 6.956 5.023 55 HH12 ARG 5 HH12 ARG 5 64.370 5.659 4.760 56 HH21 ARG 5 HH21 ARG 5 64.075 5.755 1.305 57 HH22 ARG 5 HH22 ARG 5 64.835 4.978 2.654 58 H LYS 6 HN LYS 6 56.548 5.596 1.720 59 HA LYS 6 HA LYS 6 54.264 5.413 2.065 60 HB2 LYS 6 HB2 LYS 6 54.804 7.191 4.479 61 HB3 LYS 6 HB1 LYS 6 53.420 6.097 4.245 62 HG2 LYS 6 HG2 LYS 6 54.973 4.162 4.144 63 HG3 LYS 6 HG1 LYS 6 56.350 5.260 4.408 64 HD2 LYS 6 HD2 LYS 6 55.421 5.937 6.587 65 HD3 LYS 6 HD1 LYS 6 54.003 4.893 6.324 66 HE2 LYS 6 HE2 LYS 6 55.535 2.916 6.168 67 HE3 LYS 6 HE1 LYS 6 56.906 3.984 6.552 68 HZ1 LYS 6 HZ1 LYS 6 55.317 4.621 8.542 69 HZ2 LYS 6 HZ2 LYS 6 56.363 3.284 8.630 70 HZ3 LYS 6 HZ3 LYS 6 54.719 3.056 8.270 71 H TRP 7 HN TRP 7 55.183 7.514 0.328 72 HA TRP 7 HA TRP 7 52.874 9.440 0.626 73 HB2 TRP 7 HB2 TRP 7 55.750 9.940 -0.234 74 HB3 TRP 7 HB1 TRP 7 54.430 11.016 -0.746 75 HD1 TRP 7 HD1 TRP 7 56.847 10.576 1.959 76 HE1 TRP 7 HE1 TRP 7 56.220 11.964 4.066 77 HE3 TRP 7 HE3 TRP 7 52.015 11.747 0.741 78 HZ2 TRP 7 HZ2 TRP 7 53.918 13.382 5.057 79 HZ3 TRP 7 HZ3 TRP 7 50.623 13.119 2.282 80 HH2 TRP 7 HH2 TRP 7 51.569 13.937 4.437 81 H LEU 8 HN LEU 8 53.845 6.785 -0.840 82 HA LEU 8 HA LEU 8 53.504 7.498 -3.653 83 HB2 LEU 8 HB2 LEU 8 53.216 4.805 -3.694 84 HB3 LEU 8 HB1 LEU 8 54.798 5.578 -3.518 85 HG LEU 8 HG LEU 8 54.714 5.317 -1.083 86 HD11 LEU 8 HD11 LEU 8 51.913 4.261 -1.648 87 HD12 LEU 8 HD12 LEU 8 52.388 5.567 -0.536 88 HD13 LEU 8 HD13 LEU 8 52.782 3.882 -0.141 89 HD21 LEU 8 HD21 LEU 8 53.865 2.724 -2.435 90 HD22 LEU 8 HD22 LEU 8 54.881 2.897 -0.984 91 HD23 LEU 8 HD23 LEU 8 55.491 3.432 -2.568 92 H ARG 9 HN ARG 9 51.391 8.565 -2.181 93 HA ARG 9 HA ARG 9 49.090 8.716 -2.250 94 HB2 ARG 9 HB2 ARG 9 49.139 6.637 -4.464 95 HB3 ARG 9 HB1 ARG 9 47.950 7.931 -4.191 96 HG2 ARG 9 HG2 ARG 9 50.869 8.277 -5.006 97 HG3 ARG 9 HG1 ARG 9 49.437 8.602 -6.007 98 HD2 ARG 9 HD2 ARG 9 50.031 10.752 -5.219 99 HD3 ARG 9 HD1 ARG 9 48.755 10.255 -4.080 100 HE ARG 9 HE ARG 9 51.448 9.518 -3.193 101 HH11 ARG 9 HH11 ARG 9 48.963 10.441 -1.595 102 HH12 ARG 9 HH12 ARG 9 49.546 11.942 -0.956 103 HH21 ARG 9 HH21 ARG 9 52.246 12.120 -3.125 104 HH22 ARG 9 HH22 ARG 9 51.404 12.892 -1.822 105 H ARG 10 HN ARG 10 50.276 6.891 -0.406 106 HA ARG 10 HA ARG 10 49.139 4.326 -0.307 107 HB2 ARG 10 HB2 ARG 10 49.034 4.957 2.327 108 HB3 ARG 10 HB1 ARG 10 50.575 4.672 1.488 109 HG2 ARG 10 HG2 ARG 10 51.091 6.966 1.342 110 HG3 ARG 10 HG1 ARG 10 49.399 7.473 1.532 111 HD2 ARG 10 HD2 ARG 10 49.430 6.728 3.893 112 HD3 ARG 10 HD1 ARG 10 51.119 6.199 3.707 113 HE ARG 10 HE ARG 10 51.757 8.456 3.955 114 HH11 ARG 10 HH11 ARG 10 49.262 9.117 5.391 115 HH12 ARG 10 HH12 ARG 10 48.597 10.403 4.441 116 HH21 ARG 10 HH21 ARG 10 50.565 9.726 1.667 117 HH22 ARG 10 HH22 ARG 10 49.335 10.749 2.333 118 H ILE 11 HN ILE 11 47.786 6.816 1.851 119 HA ILE 11 HA ILE 11 45.061 5.729 1.294 120 HB ILE 11 HB ILE 11 45.741 5.937 3.662 121 HG12 ILE 11 HG12 ILE 11 43.709 8.133 3.056 122 HG13 ILE 11 HG11 ILE 11 43.335 6.415 2.800 123 HG21 ILE 11 HG21 ILE 11 45.913 8.937 3.125 124 HG22 ILE 11 HG22 ILE 11 47.325 7.864 3.255 125 HG23 ILE 11 HG23 ILE 11 46.257 8.098 4.654 126 HD11 ILE 11 HD1 ILE 11 44.058 7.793 5.415 127 HD12 ILE 11 HD2 ILE 11 44.015 6.023 5.232 128 HD13 ILE 11 HD3 ILE 11 42.536 6.981 4.993 129 H GLY 12 HN GLY 12 47.122 8.351 0.417 130 HA2 GLY 12 HA1 GLY 12 45.257 10.479 0.224 131 HA3 GLY 12 HA2 GLY 12 46.675 10.255 -0.830 132 H LYS 13 HN LYS 13 45.937 7.778 -1.987 133 HA LYS 13 HA LYS 13 44.430 8.584 -4.217 134 HB2 LYS 13 HB2 LYS 13 45.758 6.502 -4.116 135 HB3 LYS 13 HB1 LYS 13 44.594 5.816 -2.958 136 HG2 LYS 13 HG2 LYS 13 42.828 5.811 -4.593 137 HG3 LYS 13 HG1 LYS 13 43.787 6.799 -5.723 138 HD2 LYS 13 HD2 LYS 13 43.762 4.377 -6.354 139 HD3 LYS 13 HD1 LYS 13 45.401 4.974 -6.009 140 HE2 LYS 13 HE2 LYS 13 45.497 3.864 -3.915 141 HE3 LYS 13 HE1 LYS 13 43.729 3.670 -3.830 142 HZ1 LYS 13 HZ1 LYS 13 45.705 2.029 -5.146 143 HZ2 LYS 13 HZ2 LYS 13 44.367 2.394 -6.128 144 HZ3 LYS 13 HZ3 LYS 13 44.140 1.637 -4.624 145 H GLY 14 HN GLY 14 43.427 7.978 -1.008 146 HA2 GLY 14 HA1 GLY 14 40.590 7.467 -1.748 147 HA3 GLY 14 HA2 GLY 14 41.304 7.393 -0.126 148 H VAL 15 HN VAL 15 42.595 9.869 0.062 149 HA VAL 15 HA VAL 15 40.193 11.707 0.015 150 HB VAL 15 HB VAL 15 41.422 12.979 1.805 151 HG11 VAL 15 HG11 VAL 15 39.643 11.394 2.382 152 HG12 VAL 15 HG12 VAL 15 40.948 11.283 3.586 153 HG13 VAL 15 HG13 VAL 15 40.793 10.038 2.323 154 HG21 VAL 15 HG21 VAL 15 43.710 12.267 1.414 155 HG22 VAL 15 HG22 VAL 15 43.268 10.554 1.610 156 HG23 VAL 15 HG23 VAL 15 43.226 11.648 3.011 157 H LYS 16 HN LYS 16 43.741 11.570 -0.558 158 HA LYS 16 HA LYS 16 44.168 14.242 -1.270 159 HB2 LYS 16 HB2 LYS 16 45.928 12.472 -1.176 160 HB3 LYS 16 HB1 LYS 16 45.330 11.837 -2.728 161 HG2 LYS 16 HG2 LYS 16 45.819 13.951 -3.843 162 HG3 LYS 16 HG1 LYS 16 46.267 14.705 -2.295 163 HD2 LYS 16 HD2 LYS 16 48.139 13.111 -2.046 164 HD3 LYS 16 HD1 LYS 16 47.687 12.332 -3.582 165 HE2 LYS 16 HE2 LYS 16 48.171 14.345 -4.833 166 HE3 LYS 16 HE1 LYS 16 48.377 15.290 -3.340 167 HZ1 LYS 16 HZ1 LYS 16 50.153 13.419 -2.882 168 HZ2 LYS 16 HZ2 LYS 16 50.534 14.798 -3.798 169 HZ3 LYS 16 HZ3 LYS 16 50.174 13.331 -4.575 170 H ILE 17 HN ILE 17 43.015 11.584 -3.394 171 HA ILE 17 HA ILE 17 42.786 13.179 -5.744 172 HB ILE 17 HB ILE 17 42.612 10.655 -5.639 173 HG12 ILE 17 HG12 ILE 17 40.315 12.124 -7.015 174 HG13 ILE 17 HG11 ILE 17 41.972 11.979 -7.647 175 HG21 ILE 17 HG21 ILE 17 40.890 10.797 -3.687 176 HG22 ILE 17 HG22 ILE 17 40.612 9.579 -4.953 177 HG23 ILE 17 HG23 ILE 17 39.684 11.096 -4.960 178 HD11 ILE 17 HD1 ILE 17 40.725 10.249 -8.731 179 HD12 ILE 17 HD2 ILE 17 39.929 9.769 -7.214 180 HD13 ILE 17 HD3 ILE 17 41.659 9.428 -7.459 181 H ILE 18 HN ILE 18 40.700 12.794 -2.922 182 HA ILE 18 HA ILE 18 39.331 15.252 -3.491 183 HB ILE 18 HB ILE 18 38.226 13.672 -5.195 184 HG12 ILE 18 HG12 ILE 18 36.506 14.999 -3.048 185 HG13 ILE 18 HG11 ILE 18 37.209 15.798 -4.475 186 HG21 ILE 18 HG21 ILE 18 38.123 11.774 -3.355 187 HG22 ILE 18 HG22 ILE 18 36.777 11.953 -4.501 188 HG23 ILE 18 HG23 ILE 18 36.628 12.594 -2.848 189 HD11 ILE 18 HD1 ILE 18 35.077 13.627 -4.416 190 HD12 ILE 18 HD2 ILE 18 35.940 14.095 -5.901 191 HD13 ILE 18 HD3 ILE 18 34.930 15.285 -5.046 192 H GLY 19 HN GLY 19 39.222 16.018 -1.500 193 HA2 GLY 19 HA1 GLY 19 38.981 14.223 0.803 194 HA3 GLY 19 HA2 GLY 19 39.107 15.994 0.831 195 H GLY 20 HN GLY 20 36.794 13.597 -0.520 196 HA2 GLY 20 HA1 GLY 20 34.479 15.089 -0.412 197 HA3 GLY 20 HA2 GLY 20 34.524 13.345 -0.089 198 H ALA 21 HN ALA 21 36.356 14.040 2.302 199 HA ALA 21 HA ALA 21 34.161 14.166 4.235 200 HB1 ALA 21 HB1 ALA 21 37.145 14.341 4.758 201 HB2 ALA 21 HB2 ALA 21 36.276 12.809 4.496 202 HB3 ALA 21 HB3 ALA 21 35.867 13.839 5.890 203 H ALA 22 HN ALA 22 34.921 16.509 2.369 204 HA ALA 22 HA ALA 22 34.407 18.579 4.364 205 HB1 ALA 22 HB1 ALA 22 36.461 19.912 3.757 206 HB2 ALA 22 HB2 ALA 22 37.108 18.444 2.986 207 HB3 ALA 22 HB3 ALA 22 36.779 18.460 4.735 208 H LEU 23 HN LEU 23 35.420 17.704 1.066 209 HA LEU 23 HA LEU 23 34.333 20.174 -0.086 210 HB2 LEU 23 HB2 LEU 23 35.435 17.584 -1.221 211 HB3 LEU 23 HB1 LEU 23 34.714 18.819 -2.270 212 HG LEU 23 HG LEU 23 37.259 18.907 -1.993 213 HD11 LEU 23 HD11 LEU 23 37.344 21.266 -2.139 214 HD12 LEU 23 HD12 LEU 23 35.975 21.493 -1.032 215 HD13 LEU 23 HD13 LEU 23 35.697 20.876 -2.675 216 HD21 LEU 23 HD21 LEU 23 37.163 18.425 0.502 217 HD22 LEU 23 HD22 LEU 23 36.596 20.097 0.736 218 HD23 LEU 23 HD23 LEU 23 38.203 19.791 0.039 219 H ASP 24 HN ASP 24 32.308 19.385 1.381 220 HA ASP 24 HA ASP 24 30.261 18.728 -0.602 221 HB2 ASP 24 HB2 ASP 24 31.125 16.459 -0.031 222 HB3 ASP 24 HB1 ASP 24 30.739 16.768 1.680 223 H HIS 25 HN HIS 25 31.190 19.083 2.820 224 HA HIS 25 HA HIS 25 28.496 19.804 3.672 225 HB2 HIS 25 HB2 HIS 25 30.250 18.813 5.171 226 HB3 HIS 25 HB1 HIS 25 31.150 20.344 5.058 227 HD1 HIS 25 HD1 HIS 25 27.684 21.247 4.906 228 HD2 HIS 25 HD2 HIS 25 30.319 20.192 8.010 229 HE1 HIS 25 HE1 HIS 25 26.641 22.049 7.096 230 H LEU 26 HN LEU 26 28.258 21.392 1.813 231 HA LEU 26 HA LEU 26 28.564 24.072 2.914 232 HB2 LEU 26 HB2 LEU 26 29.840 24.839 0.738 233 HB3 LEU 26 HB1 LEU 26 30.762 24.155 2.095 234 HG LEU 26 HG LEU 26 30.794 21.948 1.008 235 HD11 LEU 26 HD11 LEU 26 28.745 21.820 -0.198 236 HD12 LEU 26 HD12 LEU 26 29.987 21.914 -1.466 237 HD13 LEU 26 HD13 LEU 26 29.041 23.360 -1.041 238 HD21 LEU 26 HD21 LEU 26 32.548 23.651 0.474 239 HD22 LEU 26 HD22 LEU 26 31.582 24.171 -0.930 240 HD23 LEU 26 HD23 LEU 26 32.260 22.526 -0.875 Start of MODEL 73 1 H1 GLY 1 HT1 GLY 1 54.865 -2.160 0.631 2 H2 GLY 1 HT2 GLY 1 55.960 -1.235 1.544 3 H3 GLY 1 HT3 GLY 1 56.454 -1.947 0.083 4 HA2 GLY 1 HA1 GLY 1 55.579 -0.383 -1.174 5 HA3 GLY 1 HA2 GLY 1 54.168 -0.226 -0.109 6 H ARG 2 HN ARG 2 57.385 0.883 -0.870 7 HA ARG 2 HA ARG 2 56.897 3.358 0.620 8 HB2 ARG 2 HB2 ARG 2 59.031 3.121 1.979 9 HB3 ARG 2 HB1 ARG 2 57.676 2.095 2.509 10 HG2 ARG 2 HG2 ARG 2 58.616 0.165 1.341 11 HG3 ARG 2 HG1 ARG 2 59.915 1.173 0.657 12 HD2 ARG 2 HD2 ARG 2 60.651 1.704 3.014 13 HD3 ARG 2 HD1 ARG 2 59.454 0.525 3.599 14 HE ARG 2 HE ARG 2 61.173 -0.679 1.612 15 HH11 ARG 2 HH11 ARG 2 61.602 -2.695 2.903 16 HH12 ARG 2 HH12 ARG 2 62.534 -2.446 4.342 17 HH21 ARG 2 HH21 ARG 2 62.131 0.998 4.325 18 HH22 ARG 2 HH22 ARG 2 62.833 -0.355 5.147 19 H ARG 3 HN ARG 3 57.140 3.180 -2.019 20 HA ARG 3 HA ARG 3 59.800 3.204 -3.071 21 HB2 ARG 3 HB2 ARG 3 57.379 4.752 -4.078 22 HB3 ARG 3 HB1 ARG 3 58.820 4.302 -5.018 23 HG2 ARG 3 HG2 ARG 3 56.894 2.327 -3.708 24 HG3 ARG 3 HG1 ARG 3 56.896 2.759 -5.433 25 HD2 ARG 3 HD2 ARG 3 59.449 2.043 -5.326 26 HD3 ARG 3 HD1 ARG 3 58.935 1.161 -3.868 27 HE ARG 3 HE ARG 3 57.731 -0.334 -5.254 28 HH11 ARG 3 HH11 ARG 3 57.176 -1.158 -7.285 29 HH12 ARG 3 HH12 ARG 3 57.367 -0.164 -8.690 30 HH21 ARG 3 HH21 ARG 3 58.634 2.541 -6.931 31 HH22 ARG 3 HH22 ARG 3 58.193 1.929 -8.490 32 H LYS 4 HN LYS 4 57.914 5.586 -1.324 33 HA LYS 4 HA LYS 4 60.277 7.258 -0.992 34 HB2 LYS 4 HB2 LYS 4 59.172 9.326 -1.978 35 HB3 LYS 4 HB1 LYS 4 59.758 8.134 -3.159 36 HG2 LYS 4 HG2 LYS 4 57.373 7.169 -3.172 37 HG3 LYS 4 HG1 LYS 4 56.886 8.616 -2.262 38 HD2 LYS 4 HD2 LYS 4 58.203 8.562 -5.012 39 HD3 LYS 4 HD1 LYS 4 56.512 8.985 -4.656 40 HE2 LYS 4 HE2 LYS 4 57.526 10.823 -3.092 41 HE3 LYS 4 HE1 LYS 4 59.034 10.538 -3.996 42 HZ1 LYS 4 HZ1 LYS 4 57.199 12.261 -4.788 43 HZ2 LYS 4 HZ2 LYS 4 56.590 10.876 -5.560 44 HZ3 LYS 4 HZ3 LYS 4 58.172 11.404 -5.882 45 H ARG 5 HN ARG 5 59.255 6.206 1.059 46 HA ARG 5 HA ARG 5 58.216 6.588 3.089 47 HB2 ARG 5 HB2 ARG 5 59.446 8.830 2.667 48 HB3 ARG 5 HB1 ARG 5 57.853 9.486 2.239 49 HG2 ARG 5 HG2 ARG 5 57.010 8.627 4.492 50 HG3 ARG 5 HG1 ARG 5 58.701 8.251 4.896 51 HD2 ARG 5 HD2 ARG 5 59.318 10.623 4.520 52 HD3 ARG 5 HD1 ARG 5 57.623 11.000 4.127 53 HE ARG 5 HE ARG 5 57.269 11.128 6.447 54 HH11 ARG 5 HH11 ARG 5 57.210 9.869 8.417 55 HH12 ARG 5 HH12 ARG 5 58.674 9.070 8.889 56 HH21 ARG 5 HH21 ARG 5 60.297 9.696 5.888 57 HH22 ARG 5 HH22 ARG 5 60.420 8.972 7.457 58 H LYS 6 HN LYS 6 56.208 9.161 2.852 59 HA LYS 6 HA LYS 6 53.885 7.501 1.863 60 HB2 LYS 6 HB2 LYS 6 53.946 9.519 4.145 61 HB3 LYS 6 HB1 LYS 6 52.516 8.628 3.568 62 HG2 LYS 6 HG2 LYS 6 53.492 6.505 4.212 63 HG3 LYS 6 HG1 LYS 6 55.051 7.278 4.584 64 HD2 LYS 6 HD2 LYS 6 53.962 8.599 6.383 65 HD3 LYS 6 HD1 LYS 6 52.411 7.803 6.020 66 HE2 LYS 6 HE2 LYS 6 54.944 6.298 6.796 67 HE3 LYS 6 HE1 LYS 6 53.680 6.773 7.956 68 HZ1 LYS 6 HZ1 LYS 6 53.716 4.589 6.139 69 HZ2 LYS 6 HZ2 LYS 6 52.370 5.580 5.833 70 HZ3 LYS 6 HZ3 LYS 6 52.616 4.928 7.384 71 H TRP 7 HN TRP 7 54.119 8.437 -0.228 72 HA TRP 7 HA TRP 7 52.716 11.015 -0.442 73 HB2 TRP 7 HB2 TRP 7 55.602 10.722 -1.367 74 HB3 TRP 7 HB1 TRP 7 54.515 12.040 -1.865 75 HD1 TRP 7 HD1 TRP 7 56.950 11.156 0.741 76 HE1 TRP 7 HE1 TRP 7 56.834 12.786 2.764 77 HE3 TRP 7 HE3 TRP 7 52.510 13.466 -0.338 78 HZ2 TRP 7 HZ2 TRP 7 55.038 14.808 3.752 79 HZ3 TRP 7 HZ3 TRP 7 51.615 15.243 1.159 80 HH2 TRP 7 HH2 TRP 7 52.873 15.915 3.202 81 H LEU 8 HN LEU 8 53.505 7.941 -1.477 82 HA LEU 8 HA LEU 8 53.271 8.286 -4.339 83 HB2 LEU 8 HB2 LEU 8 52.452 5.713 -4.014 84 HB3 LEU 8 HB1 LEU 8 54.161 6.188 -3.925 85 HG LEU 8 HG LEU 8 52.518 6.331 -1.381 86 HD11 LEU 8 HD11 LEU 8 51.903 4.130 -2.224 87 HD12 LEU 8 HD12 LEU 8 53.095 3.930 -0.918 88 HD13 LEU 8 HD13 LEU 8 53.599 3.764 -2.618 89 HD21 LEU 8 HD21 LEU 8 55.023 7.023 -1.708 90 HD22 LEU 8 HD22 LEU 8 55.347 5.276 -1.776 91 HD23 LEU 8 HD23 LEU 8 54.615 5.990 -0.319 92 H ARG 9 HN ARG 9 50.928 6.244 -2.622 93 HA ARG 9 HA ARG 9 48.692 8.023 -2.913 94 HB2 ARG 9 HB2 ARG 9 47.580 6.667 -4.825 95 HB3 ARG 9 HB1 ARG 9 48.819 7.860 -5.267 96 HG2 ARG 9 HG2 ARG 9 49.183 5.756 -6.491 97 HG3 ARG 9 HG1 ARG 9 50.526 6.049 -5.367 98 HD2 ARG 9 HD2 ARG 9 49.820 4.350 -3.884 99 HD3 ARG 9 HD1 ARG 9 48.150 4.361 -4.508 100 HE ARG 9 HE ARG 9 50.089 3.567 -6.534 101 HH11 ARG 9 HH11 ARG 9 47.215 2.577 -5.673 102 HH12 ARG 9 HH12 ARG 9 47.586 0.919 -5.335 103 HH21 ARG 9 HH21 ARG 9 51.017 1.415 -5.299 104 HH22 ARG 9 HH22 ARG 9 49.738 0.262 -5.122 105 H ARG 10 HN ARG 10 50.047 5.739 -1.300 106 HA ARG 10 HA ARG 10 48.427 3.460 -1.203 107 HB2 ARG 10 HB2 ARG 10 48.844 3.769 1.454 108 HB3 ARG 10 HB1 ARG 10 50.155 3.313 0.343 109 HG2 ARG 10 HG2 ARG 10 51.015 5.528 0.253 110 HG3 ARG 10 HG1 ARG 10 49.545 6.228 0.961 111 HD2 ARG 10 HD2 ARG 10 51.525 6.027 2.556 112 HD3 ARG 10 HD1 ARG 10 50.021 5.256 3.117 113 HE ARG 10 HE ARG 10 51.753 3.416 1.651 114 HH11 ARG 10 HH11 ARG 10 52.278 1.598 2.922 115 HH12 ARG 10 HH12 ARG 10 52.473 1.799 4.631 116 HH21 ARG 10 HH21 ARG 10 51.487 5.124 4.620 117 HH22 ARG 10 HH22 ARG 10 52.026 3.795 5.592 118 H ILE 11 HN ILE 11 47.914 5.737 1.465 119 HA ILE 11 HA ILE 11 44.996 5.252 1.274 120 HB ILE 11 HB ILE 11 46.193 5.251 3.486 121 HG12 ILE 11 HG12 ILE 11 44.206 7.561 3.255 122 HG13 ILE 11 HG11 ILE 11 43.729 5.850 3.190 123 HG21 ILE 11 HG21 ILE 11 47.093 7.278 4.416 124 HG22 ILE 11 HG22 ILE 11 46.441 8.262 3.084 125 HG23 ILE 11 HG23 ILE 11 47.779 7.129 2.783 126 HD11 ILE 11 HD1 ILE 11 44.956 5.585 5.443 127 HD12 ILE 11 HD2 ILE 11 43.438 6.512 5.465 128 HD13 ILE 11 HD3 ILE 11 44.998 7.363 5.500 129 H GLY 12 HN GLY 12 47.317 7.448 0.090 130 HA2 GLY 12 HA1 GLY 12 45.990 9.933 0.210 131 HA3 GLY 12 HA2 GLY 12 47.080 9.421 -1.096 132 H LYS 13 HN LYS 13 45.592 7.243 -2.092 133 HA LYS 13 HA LYS 13 43.933 8.450 -3.991 134 HB2 LYS 13 HB2 LYS 13 44.698 6.087 -4.060 135 HB3 LYS 13 HB1 LYS 13 43.562 5.697 -2.745 136 HG2 LYS 13 HG2 LYS 13 41.655 6.229 -4.112 137 HG3 LYS 13 HG1 LYS 13 42.680 6.960 -5.370 138 HD2 LYS 13 HD2 LYS 13 41.909 4.660 -5.985 139 HD3 LYS 13 HD1 LYS 13 43.680 4.776 -5.874 140 HE2 LYS 13 HE2 LYS 13 43.753 3.606 -3.814 141 HE3 LYS 13 HE1 LYS 13 42.031 3.903 -3.474 142 HZ1 LYS 13 HZ1 LYS 13 41.539 2.013 -4.486 143 HZ2 LYS 13 HZ2 LYS 13 43.187 1.715 -4.781 144 HZ3 LYS 13 HZ3 LYS 13 42.251 2.551 -5.928 145 H GLY 14 HN GLY 14 43.377 8.028 -0.634 146 HA2 GLY 14 HA1 GLY 14 40.417 8.353 -0.909 147 HA3 GLY 14 HA2 GLY 14 41.304 7.903 0.559 148 H VAL 15 HN VAL 15 43.290 9.887 0.649 149 HA VAL 15 HA VAL 15 41.556 12.283 1.236 150 HB VAL 15 HB VAL 15 43.516 13.007 2.668 151 HG11 VAL 15 HG11 VAL 15 41.523 11.887 3.611 152 HG12 VAL 15 HG12 VAL 15 42.996 11.398 4.481 153 HG13 VAL 15 HG13 VAL 15 42.258 10.298 3.292 154 HG21 VAL 15 HG21 VAL 15 45.118 11.174 3.312 155 HG22 VAL 15 HG22 VAL 15 45.303 11.703 1.625 156 HG23 VAL 15 HG23 VAL 15 44.456 10.182 1.993 157 H LYS 16 HN LYS 16 44.633 11.281 -0.294 158 HA LYS 16 HA LYS 16 45.479 13.886 -1.075 159 HB2 LYS 16 HB2 LYS 16 46.847 11.777 -1.190 160 HB3 LYS 16 HB1 LYS 16 45.901 11.300 -2.621 161 HG2 LYS 16 HG2 LYS 16 46.632 13.289 -3.831 162 HG3 LYS 16 HG1 LYS 16 47.461 13.909 -2.381 163 HD2 LYS 16 HD2 LYS 16 49.003 12.000 -2.402 164 HD3 LYS 16 HD1 LYS 16 48.141 11.290 -3.788 165 HE2 LYS 16 HE2 LYS 16 48.668 13.396 -5.093 166 HE3 LYS 16 HE1 LYS 16 49.696 13.910 -3.733 167 HZ1 LYS 16 HZ1 LYS 16 50.016 11.488 -5.427 168 HZ2 LYS 16 HZ2 LYS 16 50.887 11.748 -3.992 169 HZ3 LYS 16 HZ3 LYS 16 51.070 12.810 -5.305 170 H ILE 17 HN ILE 17 43.184 11.600 -2.536 171 HA ILE 17 HA ILE 17 42.929 13.052 -5.023 172 HB ILE 17 HB ILE 17 42.214 10.607 -4.483 173 HG12 ILE 17 HG12 ILE 17 40.216 12.385 -5.961 174 HG13 ILE 17 HG11 ILE 17 41.754 11.812 -6.644 175 HG21 ILE 17 HG21 ILE 17 39.594 11.941 -3.710 176 HG22 ILE 17 HG22 ILE 17 40.779 11.398 -2.499 177 HG23 ILE 17 HG23 ILE 17 40.030 10.219 -3.601 178 HD11 ILE 17 HD1 ILE 17 39.313 10.186 -5.852 179 HD12 ILE 17 HD2 ILE 17 40.911 9.427 -6.056 180 HD13 ILE 17 HD3 ILE 17 40.138 10.256 -7.426 181 H ILE 18 HN ILE 18 42.386 14.145 -2.025 182 HA ILE 18 HA ILE 18 41.155 15.900 -1.162 183 HB ILE 18 HB ILE 18 40.214 16.515 -3.995 184 HG12 ILE 18 HG12 ILE 18 42.831 17.312 -2.631 185 HG13 ILE 18 HG11 ILE 18 42.681 16.171 -3.988 186 HG21 ILE 18 HG21 ILE 18 39.270 17.726 -1.926 187 HG22 ILE 18 HG22 ILE 18 39.984 18.758 -3.185 188 HG23 ILE 18 HG23 ILE 18 40.902 18.398 -1.703 189 HD11 ILE 18 HD1 ILE 18 43.250 18.226 -5.027 190 HD12 ILE 18 HD2 ILE 18 42.173 19.164 -3.967 191 HD13 ILE 18 HD3 ILE 18 41.486 18.120 -5.238 192 H GLY 19 HN GLY 19 39.936 13.751 -0.550 193 HA2 GLY 19 HA1 GLY 19 37.284 13.467 -1.752 194 HA3 GLY 19 HA2 GLY 19 37.909 12.621 -0.324 195 H GLY 20 HN GLY 20 36.726 15.803 -1.450 196 HA2 GLY 20 HA1 GLY 20 35.258 17.261 -0.395 197 HA3 GLY 20 HA2 GLY 20 34.956 16.016 0.836 198 H ALA 21 HN ALA 21 36.936 18.772 -0.109 199 HA ALA 21 HA ALA 21 38.380 20.098 1.153 200 HB1 ALA 21 HB1 ALA 21 37.613 20.681 3.345 201 HB2 ALA 21 HB2 ALA 21 36.721 19.149 3.503 202 HB3 ALA 21 HB3 ALA 21 36.173 20.384 2.344 203 H ALA 22 HN ALA 22 38.651 16.921 1.099 204 HA ALA 22 HA ALA 22 40.199 15.405 1.959 205 HB1 ALA 22 HB1 ALA 22 41.736 17.332 1.271 206 HB2 ALA 22 HB2 ALA 22 42.371 16.219 2.506 207 HB3 ALA 22 HB3 ALA 22 41.736 17.813 2.984 208 H LEU 23 HN LEU 23 37.944 15.938 3.452 209 HA LEU 23 HA LEU 23 37.089 15.674 5.577 210 HB2 LEU 23 HB2 LEU 23 39.160 13.873 5.400 211 HB3 LEU 23 HB1 LEU 23 39.721 14.833 6.783 212 HG LEU 23 HG LEU 23 36.960 13.539 6.560 213 HD11 LEU 23 HD11 LEU 23 39.341 12.736 8.283 214 HD12 LEU 23 HD12 LEU 23 38.906 11.935 6.754 215 HD13 LEU 23 HD13 LEU 23 37.784 11.889 8.136 216 HD21 LEU 23 HD21 LEU 23 36.944 14.061 9.045 217 HD22 LEU 23 HD22 LEU 23 36.890 15.496 7.993 218 HD23 LEU 23 HD23 LEU 23 38.414 15.029 8.789 219 H ASP 24 HN ASP 24 38.668 18.057 4.583 220 HA ASP 24 HA ASP 24 39.511 20.066 5.387 221 HB2 ASP 24 HB2 ASP 24 37.157 20.263 6.002 222 HB3 ASP 24 HB1 ASP 24 37.470 19.442 7.555 223 H HIS 25 HN HIS 25 41.098 17.881 5.975 224 HA HIS 25 HA HIS 25 41.896 17.781 8.743 225 HB2 HIS 25 HB2 HIS 25 42.374 16.003 7.069 226 HB3 HIS 25 HB1 HIS 25 43.476 17.116 6.226 227 HD1 HIS 25 HD1 HIS 25 43.296 17.149 9.994 228 HD2 HIS 25 HD2 HIS 25 45.801 15.646 6.971 229 HE1 HIS 25 HE1 HIS 25 45.435 16.321 11.119 230 H LEU 26 HN LEU 26 43.724 19.063 5.928 231 HA LEU 26 HA LEU 26 45.694 20.442 7.316 232 HB2 LEU 26 HB2 LEU 26 45.525 22.125 5.284 233 HB3 LEU 26 HB1 LEU 26 45.974 20.432 4.990 234 HG LEU 26 HG LEU 26 43.687 19.875 4.343 235 HD11 LEU 26 HD11 LEU 26 42.027 21.843 4.121 236 HD12 LEU 26 HD12 LEU 26 43.114 22.736 5.210 237 HD13 LEU 26 HD13 LEU 26 42.329 21.237 5.765 238 HD21 LEU 26 HD21 LEU 26 45.199 20.836 2.627 239 HD22 LEU 26 HD22 LEU 26 44.618 22.468 3.034 240 HD23 LEU 26 HD23 LEU 26 43.504 21.280 2.317 Start of MODEL 74 1 H1 GLY 1 HT1 GLY 1 60.578 0.036 -3.840 2 H2 GLY 1 HT2 GLY 1 60.823 -0.170 -5.509 3 H3 GLY 1 HT3 GLY 1 59.343 0.434 -4.931 4 HA2 GLY 1 HA1 GLY 1 61.959 1.761 -4.667 5 HA3 GLY 1 HA2 GLY 1 60.731 2.147 -5.888 6 H ARG 2 HN ARG 2 61.493 2.126 -2.430 7 HA ARG 2 HA ARG 2 59.045 3.578 -1.710 8 HB2 ARG 2 HB2 ARG 2 61.592 2.834 -0.225 9 HB3 ARG 2 HB1 ARG 2 60.315 3.827 0.516 10 HG2 ARG 2 HG2 ARG 2 60.021 1.432 1.079 11 HG3 ARG 2 HG1 ARG 2 58.663 2.031 0.102 12 HD2 ARG 2 HD2 ARG 2 59.379 0.874 -1.830 13 HD3 ARG 2 HD1 ARG 2 61.053 0.722 -1.240 14 HE ARG 2 HE ARG 2 59.246 -0.687 0.511 15 HH11 ARG 2 HH11 ARG 2 58.606 -1.372 -2.471 16 HH12 ARG 2 HH12 ARG 2 59.528 -2.828 -2.642 17 HH21 ARG 2 HH21 ARG 2 61.367 -2.316 0.253 18 HH22 ARG 2 HH22 ARG 2 61.091 -3.363 -1.099 19 H ARG 3 HN ARG 3 59.839 5.086 -3.669 20 HA ARG 3 HA ARG 3 61.837 7.071 -3.005 21 HB2 ARG 3 HB2 ARG 3 59.489 7.404 -4.904 22 HB3 ARG 3 HB1 ARG 3 61.059 8.237 -4.957 23 HG2 ARG 3 HG2 ARG 3 60.567 5.255 -5.393 24 HG3 ARG 3 HG1 ARG 3 61.014 6.445 -6.638 25 HD2 ARG 3 HD2 ARG 3 62.700 5.347 -4.366 26 HD3 ARG 3 HD1 ARG 3 63.081 5.431 -6.102 27 HE ARG 3 HE ARG 3 62.841 8.091 -5.361 28 HH11 ARG 3 HH11 ARG 3 65.173 5.726 -5.444 29 HH12 ARG 3 HH12 ARG 3 66.257 6.485 -4.327 30 HH21 ARG 3 HH21 ARG 3 63.990 8.933 -3.380 31 HH22 ARG 3 HH22 ARG 3 65.588 8.301 -3.158 32 H LYS 4 HN LYS 4 58.241 7.150 -3.006 33 HA LYS 4 HA LYS 4 58.234 9.761 -1.649 34 HB2 LYS 4 HB2 LYS 4 56.107 7.784 -2.533 35 HB3 LYS 4 HB1 LYS 4 55.692 9.177 -1.508 36 HG2 LYS 4 HG2 LYS 4 55.368 9.734 -3.886 37 HG3 LYS 4 HG1 LYS 4 56.688 10.708 -3.195 38 HD2 LYS 4 HD2 LYS 4 58.370 9.397 -4.262 39 HD3 LYS 4 HD1 LYS 4 57.230 8.080 -4.632 40 HE2 LYS 4 HE2 LYS 4 56.017 9.564 -6.197 41 HE3 LYS 4 HE1 LYS 4 57.139 10.891 -5.817 42 HZ1 LYS 4 HZ1 LYS 4 57.975 9.923 -7.757 43 HZ2 LYS 4 HZ2 LYS 4 57.706 8.336 -7.211 44 HZ3 LYS 4 HZ3 LYS 4 58.948 9.274 -6.528 45 H ARG 5 HN ARG 5 59.436 7.189 -0.428 46 HA ARG 5 HA ARG 5 59.524 6.204 1.674 47 HB2 ARG 5 HB2 ARG 5 58.300 8.891 2.410 48 HB3 ARG 5 HB1 ARG 5 58.912 7.714 3.596 49 HG2 ARG 5 HG2 ARG 5 61.150 7.852 2.701 50 HG3 ARG 5 HG1 ARG 5 60.593 8.803 1.303 51 HD2 ARG 5 HD2 ARG 5 60.021 10.684 2.726 52 HD3 ARG 5 HD1 ARG 5 60.333 9.729 4.194 53 HE ARG 5 HE ARG 5 62.335 11.102 2.634 54 HH11 ARG 5 HH11 ARG 5 63.992 9.176 2.037 55 HH12 ARG 5 HH12 ARG 5 64.626 8.464 3.483 56 HH21 ARG 5 HH21 ARG 5 62.151 9.773 5.528 57 HH22 ARG 5 HH22 ARG 5 63.584 8.802 5.460 58 H LYS 6 HN LYS 6 56.649 8.091 2.512 59 HA LYS 6 HA LYS 6 54.920 5.661 2.265 60 HB2 LYS 6 HB2 LYS 6 55.064 7.287 4.832 61 HB3 LYS 6 HB1 LYS 6 54.169 5.777 4.540 62 HG2 LYS 6 HG2 LYS 6 56.383 4.640 4.087 63 HG3 LYS 6 HG1 LYS 6 57.194 6.136 4.610 64 HD2 LYS 6 HD2 LYS 6 56.163 5.980 6.821 65 HD3 LYS 6 HD1 LYS 6 55.208 4.567 6.311 66 HE2 LYS 6 HE2 LYS 6 58.254 4.687 6.391 67 HE3 LYS 6 HE1 LYS 6 57.227 3.907 7.617 68 HZ1 LYS 6 HZ1 LYS 6 58.016 2.294 6.018 69 HZ2 LYS 6 HZ2 LYS 6 57.372 3.192 4.729 70 HZ3 LYS 6 HZ3 LYS 6 56.336 2.469 5.866 71 H TRP 7 HN TRP 7 54.757 7.633 0.508 72 HA TRP 7 HA TRP 7 52.140 8.869 1.172 73 HB2 TRP 7 HB2 TRP 7 54.605 10.488 0.405 74 HB3 TRP 7 HB1 TRP 7 52.939 11.109 0.343 75 HD1 TRP 7 HD1 TRP 7 55.641 9.968 2.800 76 HE1 TRP 7 HE1 TRP 7 55.043 10.783 5.195 77 HE3 TRP 7 HE3 TRP 7 50.953 11.806 1.878 78 HZ2 TRP 7 HZ2 TRP 7 52.816 12.059 6.502 79 HZ3 TRP 7 HZ3 TRP 7 49.609 12.818 3.714 80 HH2 TRP 7 HH2 TRP 7 50.536 12.946 6.023 81 H LEU 8 HN LEU 8 53.920 7.013 -0.726 82 HA LEU 8 HA LEU 8 53.824 7.963 -3.338 83 HB2 LEU 8 HB2 LEU 8 53.764 5.644 -4.067 84 HB3 LEU 8 HB1 LEU 8 54.811 5.794 -2.644 85 HG LEU 8 HG LEU 8 51.903 4.844 -2.577 86 HD11 LEU 8 HD11 LEU 8 53.495 3.307 -3.760 87 HD12 LEU 8 HD12 LEU 8 52.826 2.615 -2.263 88 HD13 LEU 8 HD13 LEU 8 54.486 3.258 -2.283 89 HD21 LEU 8 HD21 LEU 8 52.810 3.986 -0.249 90 HD22 LEU 8 HD22 LEU 8 52.345 5.691 -0.405 91 HD23 LEU 8 HD23 LEU 8 54.064 5.229 -0.467 92 H ARG 9 HN ARG 9 51.167 6.685 -1.377 93 HA ARG 9 HA ARG 9 49.050 8.066 -2.377 94 HB2 ARG 9 HB2 ARG 9 49.917 6.062 -4.441 95 HB3 ARG 9 HB1 ARG 9 48.189 6.023 -4.074 96 HG2 ARG 9 HG2 ARG 9 49.454 8.738 -4.570 97 HG3 ARG 9 HG1 ARG 9 49.163 7.673 -5.961 98 HD2 ARG 9 HD2 ARG 9 46.789 7.518 -5.398 99 HD3 ARG 9 HD1 ARG 9 47.049 8.449 -3.904 100 HE ARG 9 HE ARG 9 48.006 10.081 -5.975 101 HH11 ARG 9 HH11 ARG 9 46.241 9.719 -7.961 102 HH12 ARG 9 HH12 ARG 9 44.713 10.363 -7.462 103 HH21 ARG 9 HH21 ARG 9 45.528 10.397 -4.092 104 HH22 ARG 9 HH22 ARG 9 44.310 10.749 -5.272 105 H ARG 10 HN ARG 10 50.224 6.314 -0.267 106 HA ARG 10 HA ARG 10 48.866 3.970 0.273 107 HB2 ARG 10 HB2 ARG 10 48.810 4.992 2.766 108 HB3 ARG 10 HB1 ARG 10 50.339 4.540 1.979 109 HG2 ARG 10 HG2 ARG 10 50.861 6.788 1.412 110 HG3 ARG 10 HG1 ARG 10 49.200 7.346 1.707 111 HD2 ARG 10 HD2 ARG 10 50.866 7.937 3.537 112 HD3 ARG 10 HD1 ARG 10 49.435 7.035 4.093 113 HE ARG 10 HE ARG 10 51.509 5.168 3.454 114 HH11 ARG 10 HH11 ARG 10 51.571 3.973 5.530 115 HH12 ARG 10 HH12 ARG 10 52.077 4.892 6.908 116 HH21 ARG 10 HH21 ARG 10 51.778 7.954 5.307 117 HH22 ARG 10 HH22 ARG 10 52.195 7.147 6.781 118 H ILE 11 HN ILE 11 47.633 6.650 2.205 119 HA ILE 11 HA ILE 11 44.866 5.690 1.673 120 HB ILE 11 HB ILE 11 45.522 6.022 4.031 121 HG12 ILE 11 HG12 ILE 11 43.701 7.475 4.763 122 HG13 ILE 11 HG11 ILE 11 43.633 8.273 3.179 123 HG21 ILE 11 HG21 ILE 11 46.146 8.226 4.879 124 HG22 ILE 11 HG22 ILE 11 45.935 8.944 3.265 125 HG23 ILE 11 HG23 ILE 11 47.246 7.779 3.557 126 HD11 ILE 11 HD1 ILE 11 42.666 6.388 2.131 127 HD12 ILE 11 HD2 ILE 11 41.894 6.375 3.732 128 HD13 ILE 11 HD3 ILE 11 43.244 5.267 3.389 129 H GLY 12 HN GLY 12 47.045 8.223 0.797 130 HA2 GLY 12 HA1 GLY 12 45.301 10.384 0.342 131 HA3 GLY 12 HA2 GLY 12 46.755 10.032 -0.615 132 H LYS 13 HN LYS 13 45.908 7.492 -1.628 133 HA LYS 13 HA LYS 13 44.644 8.237 -4.016 134 HB2 LYS 13 HB2 LYS 13 45.783 6.074 -3.659 135 HB3 LYS 13 HB1 LYS 13 44.467 5.562 -2.574 136 HG2 LYS 13 HG2 LYS 13 42.861 5.571 -4.357 137 HG3 LYS 13 HG1 LYS 13 43.972 6.430 -5.451 138 HD2 LYS 13 HD2 LYS 13 43.827 3.984 -5.961 139 HD3 LYS 13 HD1 LYS 13 45.472 4.489 -5.511 140 HE2 LYS 13 HE2 LYS 13 45.313 3.505 -3.355 141 HE3 LYS 13 HE1 LYS 13 43.536 3.409 -3.428 142 HZ1 LYS 13 HZ1 LYS 13 45.180 1.370 -3.984 143 HZ2 LYS 13 HZ2 LYS 13 44.948 2.005 -5.542 144 HZ3 LYS 13 HZ3 LYS 13 43.612 1.519 -4.611 145 H GLY 14 HN GLY 14 43.310 7.955 -0.873 146 HA2 GLY 14 HA1 GLY 14 40.515 7.692 -1.913 147 HA3 GLY 14 HA2 GLY 14 41.042 7.495 -0.232 148 H VAL 15 HN VAL 15 42.639 9.848 0.014 149 HA VAL 15 HA VAL 15 40.435 11.913 -0.050 150 HB VAL 15 HB VAL 15 41.784 13.036 1.774 151 HG11 VAL 15 HG11 VAL 15 39.797 11.600 2.224 152 HG12 VAL 15 HG12 VAL 15 41.003 11.494 3.527 153 HG13 VAL 15 HG13 VAL 15 40.864 10.181 2.335 154 HG21 VAL 15 HG21 VAL 15 43.971 12.033 1.405 155 HG22 VAL 15 HG22 VAL 15 43.307 10.395 1.619 156 HG23 VAL 15 HG23 VAL 15 43.389 11.509 3.001 157 H LYS 16 HN LYS 16 43.958 11.423 -0.559 158 HA LYS 16 HA LYS 16 44.535 14.097 -1.343 159 HB2 LYS 16 HB2 LYS 16 46.242 12.329 -0.884 160 HB3 LYS 16 HB1 LYS 16 45.809 11.554 -2.428 161 HG2 LYS 16 HG2 LYS 16 46.474 13.529 -3.679 162 HG3 LYS 16 HG1 LYS 16 46.733 14.447 -2.176 163 HD2 LYS 16 HD2 LYS 16 48.546 12.910 -1.524 164 HD3 LYS 16 HD1 LYS 16 48.272 11.943 -2.994 165 HE2 LYS 16 HE2 LYS 16 48.850 13.873 -4.404 166 HE3 LYS 16 HE1 LYS 16 49.054 14.892 -2.960 167 HZ1 LYS 16 HZ1 LYS 16 50.604 12.401 -3.440 168 HZ2 LYS 16 HZ2 LYS 16 50.886 13.588 -2.257 169 HZ3 LYS 16 HZ3 LYS 16 51.151 13.940 -3.898 170 H ILE 17 HN ILE 17 43.301 11.312 -3.201 171 HA ILE 17 HA ILE 17 43.531 12.321 -5.805 172 HB ILE 17 HB ILE 17 42.618 10.059 -5.197 173 HG12 ILE 17 HG12 ILE 17 40.798 11.732 -6.992 174 HG13 ILE 17 HG11 ILE 17 42.360 11.041 -7.484 175 HG21 ILE 17 HG21 ILE 17 40.366 9.781 -4.453 176 HG22 ILE 17 HG22 ILE 17 39.963 11.485 -4.777 177 HG23 ILE 17 HG23 ILE 17 41.037 11.064 -3.421 178 HD11 ILE 17 HD1 ILE 17 39.800 9.582 -6.742 179 HD12 ILE 17 HD2 ILE 17 41.378 8.755 -6.745 180 HD13 ILE 17 HD3 ILE 17 40.742 9.471 -8.245 181 H ILE 18 HN ILE 18 41.402 13.344 -3.207 182 HA ILE 18 HA ILE 18 40.745 15.783 -4.601 183 HB ILE 18 HB ILE 18 39.250 14.162 -5.829 184 HG12 ILE 18 HG12 ILE 18 37.802 16.255 -4.139 185 HG13 ILE 18 HG11 ILE 18 38.759 16.601 -5.597 186 HG21 ILE 18 HG21 ILE 18 37.332 14.014 -3.518 187 HG22 ILE 18 HG22 ILE 18 38.774 12.983 -3.380 188 HG23 ILE 18 HG23 ILE 18 37.692 12.817 -4.780 189 HD11 ILE 18 HD1 ILE 18 36.461 16.455 -6.301 190 HD12 ILE 18 HD2 ILE 18 36.214 14.944 -5.394 191 HD13 ILE 18 HD3 ILE 18 37.254 14.956 -6.839 192 H GLY 19 HN GLY 19 41.883 15.860 -2.349 193 HA2 GLY 19 HA1 GLY 19 39.973 17.000 -0.533 194 HA3 GLY 19 HA2 GLY 19 40.459 15.392 0.038 195 H GLY 20 HN GLY 20 43.155 15.601 -1.130 196 HA2 GLY 20 HA1 GLY 20 44.423 16.861 1.153 197 HA3 GLY 20 HA2 GLY 20 45.236 16.139 -0.250 198 H ALA 21 HN ALA 21 43.318 19.022 0.709 199 HA ALA 21 HA ALA 21 43.518 21.233 -0.003 200 HB1 ALA 21 HB1 ALA 21 45.740 20.872 1.111 201 HB2 ALA 21 HB2 ALA 21 45.753 22.112 -0.166 202 HB3 ALA 21 HB3 ALA 21 46.418 20.493 -0.489 203 H ALA 22 HN ALA 22 43.472 18.748 -2.035 204 HA ALA 22 HA ALA 22 43.330 18.550 -4.352 205 HB1 ALA 22 HB1 ALA 22 42.444 20.394 -5.577 206 HB2 ALA 22 HB2 ALA 22 43.115 21.577 -4.429 207 HB3 ALA 22 HB3 ALA 22 41.761 20.530 -3.940 208 H LEU 23 HN LEU 23 45.827 18.479 -3.252 209 HA LEU 23 HA LEU 23 48.066 18.706 -3.800 210 HB2 LEU 23 HB2 LEU 23 47.175 19.636 -6.558 211 HB3 LEU 23 HB1 LEU 23 48.656 18.755 -6.111 212 HG LEU 23 HG LEU 23 45.808 17.669 -5.966 213 HD11 LEU 23 HD11 LEU 23 46.591 16.163 -7.774 214 HD12 LEU 23 HD12 LEU 23 48.165 16.991 -7.780 215 HD13 LEU 23 HD13 LEU 23 46.695 17.870 -8.266 216 HD21 LEU 23 HD21 LEU 23 48.519 16.524 -5.172 217 HD22 LEU 23 HD22 LEU 23 47.126 15.479 -5.547 218 HD23 LEU 23 HD23 LEU 23 47.034 16.628 -4.193 219 H ASP 24 HN ASP 24 46.158 21.000 -3.054 220 HA ASP 24 HA ASP 24 46.256 23.296 -2.756 221 HB2 ASP 24 HB2 ASP 24 48.124 22.645 -1.348 222 HB3 ASP 24 HB1 ASP 24 49.228 22.641 -2.751 223 H HIS 25 HN HIS 25 45.705 22.656 -5.284 224 HA HIS 25 HA HIS 25 47.511 23.920 -7.190 225 HB2 HIS 25 HB2 HIS 25 45.969 22.053 -7.772 226 HB3 HIS 25 HB1 HIS 25 44.583 23.124 -7.460 227 HD1 HIS 25 HD1 HIS 25 47.838 24.108 -9.213 228 HD2 HIS 25 HD2 HIS 25 43.747 23.641 -10.070 229 HE1 HIS 25 HE1 HIS 25 47.459 24.939 -11.599 230 H LEU 26 HN LEU 26 44.178 24.710 -6.075 231 HA LEU 26 HA LEU 26 43.061 26.749 -6.054 232 HB2 LEU 26 HB2 LEU 26 45.877 27.511 -5.212 233 HB3 LEU 26 HB1 LEU 26 44.591 28.734 -5.319 234 HG LEU 26 HG LEU 26 43.216 27.498 -3.719 235 HD11 LEU 26 HD11 LEU 26 44.333 25.471 -2.561 236 HD12 LEU 26 HD12 LEU 26 45.434 25.429 -3.958 237 HD13 LEU 26 HD13 LEU 26 43.683 25.207 -4.194 238 HD21 LEU 26 HD21 LEU 26 46.088 27.635 -2.697 239 HD22 LEU 26 HD22 LEU 26 44.598 27.791 -1.736 240 HD23 LEU 26 HD23 LEU 26 45.037 29.055 -2.910 Start of MODEL 75 1 H1 GLY 1 HT1 GLY 1 58.585 2.461 -4.409 2 H2 GLY 1 HT2 GLY 1 56.971 1.964 -4.592 3 H3 GLY 1 HT3 GLY 1 58.226 0.819 -4.619 4 HA2 GLY 1 HA1 GLY 1 56.736 1.656 -2.474 5 HA3 GLY 1 HA2 GLY 1 58.130 0.556 -2.482 6 H ARG 2 HN ARG 2 60.313 1.596 -2.496 7 HA ARG 2 HA ARG 2 60.388 3.578 -0.347 8 HB2 ARG 2 HB2 ARG 2 62.711 2.617 -2.053 9 HB3 ARG 2 HB1 ARG 2 62.763 3.270 -0.398 10 HG2 ARG 2 HG2 ARG 2 61.442 0.652 -1.250 11 HG3 ARG 2 HG1 ARG 2 62.979 0.808 -0.369 12 HD2 ARG 2 HD2 ARG 2 61.590 2.158 1.389 13 HD3 ARG 2 HD1 ARG 2 60.171 1.427 0.598 14 HE ARG 2 HE ARG 2 62.027 -0.656 1.162 15 HH11 ARG 2 HH11 ARG 2 62.653 -0.554 3.632 16 HH12 ARG 2 HH12 ARG 2 61.250 -0.563 4.648 17 HH21 ARG 2 HH21 ARG 2 59.068 0.283 2.089 18 HH22 ARG 2 HH22 ARG 2 59.221 -0.090 3.774 19 H ARG 3 HN ARG 3 59.273 4.206 -3.153 20 HA ARG 3 HA ARG 3 60.997 6.010 -4.489 21 HB2 ARG 3 HB2 ARG 3 58.774 5.184 -5.321 22 HB3 ARG 3 HB1 ARG 3 57.983 6.288 -4.169 23 HG2 ARG 3 HG2 ARG 3 59.026 8.224 -5.227 24 HG3 ARG 3 HG1 ARG 3 59.979 7.169 -6.299 25 HD2 ARG 3 HD2 ARG 3 57.848 6.277 -7.261 26 HD3 ARG 3 HD1 ARG 3 56.941 7.427 -6.250 27 HE ARG 3 HE ARG 3 58.908 8.851 -7.783 28 HH11 ARG 3 HH11 ARG 3 55.787 9.120 -7.395 29 HH12 ARG 3 HH12 ARG 3 55.300 9.121 -9.057 30 HH21 ARG 3 HH21 ARG 3 58.361 7.988 -10.229 31 HH22 ARG 3 HH22 ARG 3 56.758 8.480 -10.661 32 H LYS 4 HN LYS 4 58.691 6.574 -1.800 33 HA LYS 4 HA LYS 4 60.317 8.854 -0.899 34 HB2 LYS 4 HB2 LYS 4 58.345 10.437 -0.940 35 HB3 LYS 4 HB1 LYS 4 59.041 10.062 -2.533 36 HG2 LYS 4 HG2 LYS 4 57.202 8.176 -2.627 37 HG3 LYS 4 HG1 LYS 4 56.424 9.097 -1.322 38 HD2 LYS 4 HD2 LYS 4 57.167 10.144 -4.088 39 HD3 LYS 4 HD1 LYS 4 55.526 9.819 -3.482 40 HE2 LYS 4 HE2 LYS 4 56.021 11.503 -1.615 41 HE3 LYS 4 HE1 LYS 4 57.475 11.955 -2.537 42 HZ1 LYS 4 HZ1 LYS 4 56.209 12.733 -4.299 43 HZ2 LYS 4 HZ2 LYS 4 55.317 13.248 -2.947 44 HZ3 LYS 4 HZ3 LYS 4 54.816 11.886 -3.831 45 H ARG 5 HN ARG 5 60.348 6.987 0.685 46 HA ARG 5 HA ARG 5 59.692 6.106 2.726 47 HB2 ARG 5 HB2 ARG 5 58.533 8.910 2.823 48 HB3 ARG 5 HB1 ARG 5 58.344 7.791 4.193 49 HG2 ARG 5 HG2 ARG 5 60.349 9.264 4.438 50 HG3 ARG 5 HG1 ARG 5 60.777 7.539 4.372 51 HD2 ARG 5 HD2 ARG 5 61.573 7.704 2.137 52 HD3 ARG 5 HD1 ARG 5 60.762 9.267 1.870 53 HE ARG 5 HE ARG 5 62.740 9.383 4.012 54 HH11 ARG 5 HH11 ARG 5 62.400 11.738 2.391 55 HH12 ARG 5 HH12 ARG 5 63.715 11.680 1.267 56 HH21 ARG 5 HH21 ARG 5 64.363 8.315 1.794 57 HH22 ARG 5 HH22 ARG 5 64.827 9.741 0.927 58 H LYS 6 HN LYS 6 56.762 7.888 3.047 59 HA LYS 6 HA LYS 6 55.108 5.719 1.837 60 HB2 LYS 6 HB2 LYS 6 54.880 6.533 4.763 61 HB3 LYS 6 HB1 LYS 6 53.845 5.369 3.902 62 HG2 LYS 6 HG2 LYS 6 55.967 4.041 3.385 63 HG3 LYS 6 HG1 LYS 6 56.814 5.111 4.529 64 HD2 LYS 6 HD2 LYS 6 55.107 4.480 6.279 65 HD3 LYS 6 HD1 LYS 6 54.445 3.290 5.133 66 HE2 LYS 6 HE2 LYS 6 56.741 2.256 4.978 67 HE3 LYS 6 HE1 LYS 6 57.272 3.359 6.269 68 HZ1 LYS 6 HZ1 LYS 6 56.212 0.930 6.689 69 HZ2 LYS 6 HZ2 LYS 6 54.826 1.903 6.823 70 HZ3 LYS 6 HZ3 LYS 6 56.171 2.195 7.820 71 H TRP 7 HN TRP 7 54.644 7.477 0.373 72 HA TRP 7 HA TRP 7 52.290 8.984 1.277 73 HB2 TRP 7 HB2 TRP 7 54.862 10.415 0.500 74 HB3 TRP 7 HB1 TRP 7 53.262 11.194 0.520 75 HD1 TRP 7 HD1 TRP 7 56.139 10.407 2.700 76 HE1 TRP 7 HE1 TRP 7 55.597 10.878 5.200 77 HE3 TRP 7 HE3 TRP 7 51.064 10.968 2.334 78 HZ2 TRP 7 HZ2 TRP 7 53.261 11.420 6.793 79 HZ3 TRP 7 HZ3 TRP 7 49.698 11.462 4.356 80 HH2 TRP 7 HH2 TRP 7 50.790 11.689 6.584 81 H LEU 8 HN LEU 8 53.807 7.129 -0.879 82 HA LEU 8 HA LEU 8 53.613 8.301 -3.404 83 HB2 LEU 8 HB2 LEU 8 52.491 5.520 -3.270 84 HB3 LEU 8 HB1 LEU 8 53.835 6.166 -4.238 85 HG LEU 8 HG LEU 8 55.082 6.305 -1.884 86 HD11 LEU 8 HD11 LEU 8 53.240 3.947 -1.316 87 HD12 LEU 8 HD12 LEU 8 52.845 5.574 -0.726 88 HD13 LEU 8 HD13 LEU 8 54.352 4.784 -0.209 89 HD21 LEU 8 HD21 LEU 8 55.869 4.882 -3.685 90 HD22 LEU 8 HD22 LEU 8 54.540 3.728 -3.422 91 HD23 LEU 8 HD23 LEU 8 55.822 3.904 -2.199 92 H ARG 9 HN ARG 9 51.010 6.219 -2.058 93 HA ARG 9 HA ARG 9 48.951 8.182 -2.641 94 HB2 ARG 9 HB2 ARG 9 49.681 7.136 -4.945 95 HB3 ARG 9 HB1 ARG 9 48.797 5.701 -4.383 96 HG2 ARG 9 HG2 ARG 9 47.070 6.834 -5.486 97 HG3 ARG 9 HG1 ARG 9 46.870 7.498 -3.849 98 HD2 ARG 9 HD2 ARG 9 46.823 9.319 -5.492 99 HD3 ARG 9 HD1 ARG 9 48.299 9.453 -4.509 100 HE ARG 9 HE ARG 9 49.512 9.156 -6.501 101 HH11 ARG 9 HH11 ARG 9 46.450 9.272 -7.586 102 HH12 ARG 9 HH12 ARG 9 46.612 8.105 -8.854 103 HH21 ARG 9 HH21 ARG 9 49.709 6.972 -7.781 104 HH22 ARG 9 HH22 ARG 9 48.455 6.803 -8.965 105 H ARG 10 HN ARG 10 50.100 6.104 -0.666 106 HA ARG 10 HA ARG 10 48.368 3.973 -0.204 107 HB2 ARG 10 HB2 ARG 10 48.739 4.727 2.358 108 HB3 ARG 10 HB1 ARG 10 50.070 4.067 1.382 109 HG2 ARG 10 HG2 ARG 10 51.038 6.188 1.004 110 HG3 ARG 10 HG1 ARG 10 49.535 7.061 1.382 111 HD2 ARG 10 HD2 ARG 10 51.449 7.057 3.166 112 HD3 ARG 10 HD1 ARG 10 49.786 6.736 3.712 113 HE ARG 10 HE ARG 10 51.183 4.283 3.020 114 HH11 ARG 10 HH11 ARG 10 49.830 6.193 5.455 115 HH12 ARG 10 HH12 ARG 10 50.661 5.415 6.759 116 HH21 ARG 10 HH21 ARG 10 52.667 3.493 4.685 117 HH22 ARG 10 HH22 ARG 10 52.266 3.886 6.324 118 H ILE 11 HN ILE 11 47.907 6.687 2.016 119 HA ILE 11 HA ILE 11 44.995 6.271 1.926 120 HB ILE 11 HB ILE 11 46.176 6.780 4.064 121 HG12 ILE 11 HG12 ILE 11 44.317 9.063 3.247 122 HG13 ILE 11 HG11 ILE 11 43.749 7.421 3.621 123 HG21 ILE 11 HG21 ILE 11 47.860 8.329 2.931 124 HG22 ILE 11 HG22 ILE 11 47.187 8.928 4.465 125 HG23 ILE 11 HG23 ILE 11 46.588 9.573 2.918 126 HD11 ILE 11 HD1 ILE 11 45.111 9.408 5.475 127 HD12 ILE 11 HD2 ILE 11 44.989 7.677 5.872 128 HD13 ILE 11 HD3 ILE 11 43.515 8.647 5.654 129 H GLY 12 HN GLY 12 47.348 8.229 0.346 130 HA2 GLY 12 HA1 GLY 12 45.951 10.617 -0.154 131 HA3 GLY 12 HA2 GLY 12 47.105 9.863 -1.275 132 H LYS 13 HN LYS 13 45.799 7.515 -1.923 133 HA LYS 13 HA LYS 13 44.115 8.242 -4.033 134 HB2 LYS 13 HB2 LYS 13 45.037 6.000 -3.795 135 HB3 LYS 13 HB1 LYS 13 44.083 5.721 -2.326 136 HG2 LYS 13 HG2 LYS 13 42.479 6.523 -4.738 137 HG3 LYS 13 HG1 LYS 13 43.285 4.952 -4.875 138 HD2 LYS 13 HD2 LYS 13 41.638 5.678 -2.416 139 HD3 LYS 13 HD1 LYS 13 40.885 4.996 -3.871 140 HE2 LYS 13 HE2 LYS 13 42.651 3.096 -3.674 141 HE3 LYS 13 HE1 LYS 13 42.940 3.714 -2.030 142 HZ1 LYS 13 HZ1 LYS 13 40.152 3.389 -2.718 143 HZ2 LYS 13 HZ2 LYS 13 40.992 2.927 -1.316 144 HZ3 LYS 13 HZ3 LYS 13 41.031 1.939 -2.698 145 H GLY 14 HN GLY 14 43.485 8.385 -0.675 146 HA2 GLY 14 HA1 GLY 14 40.521 8.393 -1.048 147 HA3 GLY 14 HA2 GLY 14 41.396 8.304 0.491 148 H VAL 15 HN VAL 15 43.232 10.462 0.115 149 HA VAL 15 HA VAL 15 41.272 12.757 0.260 150 HB VAL 15 HB VAL 15 43.117 13.900 1.569 151 HG11 VAL 15 HG11 VAL 15 42.020 11.266 2.647 152 HG12 VAL 15 HG12 VAL 15 41.196 12.843 2.686 153 HG13 VAL 15 HG13 VAL 15 42.676 12.587 3.641 154 HG21 VAL 15 HG21 VAL 15 44.293 11.084 1.464 155 HG22 VAL 15 HG22 VAL 15 44.832 12.360 2.580 156 HG23 VAL 15 HG23 VAL 15 45.035 12.572 0.826 157 H LYS 16 HN LYS 16 44.476 11.766 -0.996 158 HA LYS 16 HA LYS 16 45.256 14.185 -2.188 159 HB2 LYS 16 HB2 LYS 16 46.545 11.994 -2.104 160 HB3 LYS 16 HB1 LYS 16 45.559 11.446 -3.476 161 HG2 LYS 16 HG2 LYS 16 47.421 12.326 -4.602 162 HG3 LYS 16 HG1 LYS 16 46.349 13.742 -4.586 163 HD2 LYS 16 HD2 LYS 16 47.518 14.640 -2.612 164 HD3 LYS 16 HD1 LYS 16 48.537 13.184 -2.528 165 HE2 LYS 16 HE2 LYS 16 49.814 14.910 -3.650 166 HE3 LYS 16 HE1 LYS 16 49.335 13.709 -4.874 167 HZ1 LYS 16 HZ1 LYS 16 48.966 16.039 -5.568 168 HZ2 LYS 16 HZ2 LYS 16 47.840 16.221 -4.308 169 HZ3 LYS 16 HZ3 LYS 16 47.544 15.116 -5.563 170 H ILE 17 HN ILE 17 43.464 11.513 -3.813 171 HA ILE 17 HA ILE 17 42.857 13.101 -6.136 172 HB ILE 17 HB ILE 17 42.807 10.577 -6.025 173 HG12 ILE 17 HG12 ILE 17 40.087 11.624 -6.931 174 HG13 ILE 17 HG11 ILE 17 41.575 12.061 -7.794 175 HG21 ILE 17 HG21 ILE 17 41.575 10.541 -3.807 176 HG22 ILE 17 HG22 ILE 17 40.929 9.432 -5.036 177 HG23 ILE 17 HG23 ILE 17 40.092 10.962 -4.692 178 HD11 ILE 17 HD1 ILE 17 40.620 10.120 -8.882 179 HD12 ILE 17 HD2 ILE 17 40.472 9.258 -7.335 180 HD13 ILE 17 HD3 ILE 17 42.081 9.590 -8.019 181 H ILE 18 HN ILE 18 41.920 13.589 -3.041 182 HA ILE 18 HA ILE 18 40.264 14.872 -2.072 183 HB ILE 18 HB ILE 18 39.297 15.615 -4.866 184 HG12 ILE 18 HG12 ILE 18 41.605 16.778 -3.235 185 HG13 ILE 18 HG11 ILE 18 41.741 15.932 -4.793 186 HG21 ILE 18 HG21 ILE 18 38.468 17.593 -3.804 187 HG22 ILE 18 HG22 ILE 18 39.395 17.278 -2.318 188 HG23 ILE 18 HG23 ILE 18 38.000 16.253 -2.734 189 HD11 ILE 18 HD1 ILE 18 40.533 18.656 -4.219 190 HD12 ILE 18 HD2 ILE 18 40.114 17.758 -5.699 191 HD13 ILE 18 HD3 ILE 18 41.802 18.226 -5.388 192 H GLY 19 HN GLY 19 38.869 13.598 -1.052 193 HA2 GLY 19 HA1 GLY 19 36.341 12.952 -2.364 194 HA3 GLY 19 HA2 GLY 19 37.339 11.521 -2.035 195 H GLY 20 HN GLY 20 37.833 10.942 0.121 196 HA2 GLY 20 HA1 GLY 20 35.713 11.193 1.944 197 HA3 GLY 20 HA2 GLY 20 37.373 10.742 2.381 198 H ALA 21 HN ALA 21 38.541 13.260 1.467 199 HA ALA 21 HA ALA 21 38.528 14.710 3.873 200 HB1 ALA 21 HB1 ALA 21 40.148 14.939 1.959 201 HB2 ALA 21 HB2 ALA 21 39.599 16.486 2.649 202 HB3 ALA 21 HB3 ALA 21 38.920 15.904 1.110 203 H ALA 22 HN ALA 22 36.681 15.411 0.870 204 HA ALA 22 HA ALA 22 35.215 17.592 2.115 205 HB1 ALA 22 HB1 ALA 22 35.544 17.552 -0.288 206 HB2 ALA 22 HB2 ALA 22 33.803 17.432 0.060 207 HB3 ALA 22 HB3 ALA 22 34.719 15.981 -0.413 208 H LEU 23 HN LEU 23 34.534 14.164 1.375 209 HA LEU 23 HA LEU 23 31.837 14.334 2.558 210 HB2 LEU 23 HB2 LEU 23 33.547 12.122 1.373 211 HB3 LEU 23 HB1 LEU 23 32.037 11.748 2.233 212 HG LEU 23 HG LEU 23 30.745 13.119 0.692 213 HD11 LEU 23 HD11 LEU 23 33.485 13.910 -0.375 214 HD12 LEU 23 HD12 LEU 23 32.191 14.970 0.234 215 HD13 LEU 23 HD13 LEU 23 31.997 14.135 -1.325 216 HD21 LEU 23 HD21 LEU 23 31.310 10.796 -0.006 217 HD22 LEU 23 HD22 LEU 23 32.760 11.408 -0.837 218 HD23 LEU 23 HD23 LEU 23 31.141 11.879 -1.408 219 H ASP 24 HN ASP 24 33.083 15.304 4.545 220 HA ASP 24 HA ASP 24 32.889 13.311 6.631 221 HB2 ASP 24 HB2 ASP 24 35.128 12.695 5.731 222 HB3 ASP 24 HB1 ASP 24 35.685 14.359 6.031 223 H HIS 25 HN HIS 25 33.382 16.463 5.377 224 HA HIS 25 HA HIS 25 33.589 17.730 8.067 225 HB2 HIS 25 HB2 HIS 25 34.932 18.573 6.133 226 HB3 HIS 25 HB1 HIS 25 33.414 18.992 5.302 227 HD1 HIS 25 HD1 HIS 25 34.185 19.437 9.027 228 HD2 HIS 25 HD2 HIS 25 33.438 21.764 5.602 229 HE1 HIS 25 HE1 HIS 25 33.996 21.870 9.785 230 H LEU 26 HN LEU 26 31.645 17.474 9.097 231 HA LEU 26 HA LEU 26 29.116 17.922 7.686 232 HB2 LEU 26 HB2 LEU 26 29.903 17.447 10.577 233 HB3 LEU 26 HB1 LEU 26 28.232 17.843 10.132 234 HG LEU 26 HG LEU 26 28.799 15.351 10.341 235 HD11 LEU 26 HD11 LEU 26 27.821 16.017 7.537 236 HD12 LEU 26 HD12 LEU 26 26.846 16.397 8.974 237 HD13 LEU 26 HD13 LEU 26 27.299 14.716 8.627 238 HD21 LEU 26 HD21 LEU 26 31.039 15.600 9.167 239 HD22 LEU 26 HD22 LEU 26 30.146 15.773 7.637 240 HD23 LEU 26 HD23 LEU 26 30.025 14.266 8.572 Start of MODEL 76 1 H1 GLY 1 HT1 GLY 1 59.015 0.167 -5.135 2 H2 GLY 1 HT2 GLY 1 60.320 1.256 -5.093 3 H3 GLY 1 HT3 GLY 1 59.951 0.418 -6.525 4 HA2 GLY 1 HA1 GLY 1 59.155 2.542 -6.854 5 HA3 GLY 1 HA2 GLY 1 57.750 1.522 -6.490 6 H ARG 2 HN ARG 2 59.906 2.152 -3.871 7 HA ARG 2 HA ARG 2 57.861 3.420 -2.310 8 HB2 ARG 2 HB2 ARG 2 60.866 3.596 -1.872 9 HB3 ARG 2 HB1 ARG 2 59.580 3.747 -0.650 10 HG2 ARG 2 HG2 ARG 2 58.894 1.403 -1.079 11 HG3 ARG 2 HG1 ARG 2 60.185 1.251 -2.296 12 HD2 ARG 2 HD2 ARG 2 61.847 1.870 -0.479 13 HD3 ARG 2 HD1 ARG 2 60.512 1.741 0.692 14 HE ARG 2 HE ARG 2 60.631 -0.659 -0.876 15 HH11 ARG 2 HH11 ARG 2 63.416 -0.831 -0.503 16 HH12 ARG 2 HH12 ARG 2 63.637 -1.377 1.127 17 HH21 ARG 2 HH21 ARG 2 60.425 -0.532 2.125 18 HH22 ARG 2 HH22 ARG 2 61.943 -1.209 2.614 19 H ARG 3 HN ARG 3 60.993 4.856 -3.317 20 HA ARG 3 HA ARG 3 61.545 7.037 -3.845 21 HB2 ARG 3 HB2 ARG 3 59.982 6.547 -5.746 22 HB3 ARG 3 HB1 ARG 3 58.664 7.271 -4.795 23 HG2 ARG 3 HG2 ARG 3 59.864 9.407 -4.687 24 HG3 ARG 3 HG1 ARG 3 61.256 8.696 -5.539 25 HD2 ARG 3 HD2 ARG 3 59.752 8.209 -7.492 26 HD3 ARG 3 HD1 ARG 3 58.437 9.060 -6.645 27 HE ARG 3 HE ARG 3 60.673 10.814 -6.734 28 HH11 ARG 3 HH11 ARG 3 61.510 11.045 -9.115 29 HH12 ARG 3 HH12 ARG 3 60.237 11.467 -10.211 30 HH21 ARG 3 HH21 ARG 3 57.698 10.573 -8.023 31 HH22 ARG 3 HH22 ARG 3 58.079 11.200 -9.592 32 H LYS 4 HN LYS 4 58.092 7.669 -3.119 33 HA LYS 4 HA LYS 4 58.923 9.787 -1.228 34 HB2 LYS 4 HB2 LYS 4 56.104 8.859 -1.884 35 HB3 LYS 4 HB1 LYS 4 56.622 10.437 -1.238 36 HG2 LYS 4 HG2 LYS 4 57.959 10.769 -3.371 37 HG3 LYS 4 HG1 LYS 4 57.177 9.303 -4.011 38 HD2 LYS 4 HD2 LYS 4 54.944 10.354 -3.613 39 HD3 LYS 4 HD1 LYS 4 55.764 11.838 -3.070 40 HE2 LYS 4 HE2 LYS 4 56.747 12.191 -5.241 41 HE3 LYS 4 HE1 LYS 4 56.253 10.574 -5.797 42 HZ1 LYS 4 HZ1 LYS 4 54.041 11.204 -5.907 43 HZ2 LYS 4 HZ2 LYS 4 54.841 12.596 -6.465 44 HZ3 LYS 4 HZ3 LYS 4 54.242 12.536 -4.876 45 H ARG 5 HN ARG 5 59.351 6.830 -0.673 46 HA ARG 5 HA ARG 5 59.067 5.357 1.104 47 HB2 ARG 5 HB2 ARG 5 58.627 7.995 2.567 48 HB3 ARG 5 HB1 ARG 5 58.958 6.432 3.352 49 HG2 ARG 5 HG2 ARG 5 61.095 6.279 2.037 50 HG3 ARG 5 HG1 ARG 5 60.779 7.914 1.407 51 HD2 ARG 5 HD2 ARG 5 61.037 7.187 4.359 52 HD3 ARG 5 HD1 ARG 5 62.304 7.961 3.377 53 HE ARG 5 HE ARG 5 59.857 9.481 3.225 54 HH11 ARG 5 HH11 ARG 5 59.633 11.312 4.540 55 HH12 ARG 5 HH12 ARG 5 60.825 11.635 5.754 56 HH21 ARG 5 HH21 ARG 5 62.643 8.752 5.115 57 HH22 ARG 5 HH22 ARG 5 62.531 10.187 6.079 58 H LYS 6 HN LYS 6 57.137 6.873 3.314 59 HA LYS 6 HA LYS 6 54.721 5.356 2.376 60 HB2 LYS 6 HB2 LYS 6 55.148 6.630 5.102 61 HB3 LYS 6 HB1 LYS 6 54.029 5.322 4.650 62 HG2 LYS 6 HG2 LYS 6 57.077 5.151 4.669 63 HG3 LYS 6 HG1 LYS 6 55.977 4.415 5.857 64 HD2 LYS 6 HD2 LYS 6 54.888 3.197 3.850 65 HD3 LYS 6 HD1 LYS 6 56.314 3.711 2.915 66 HE2 LYS 6 HE2 LYS 6 56.767 1.494 3.776 67 HE3 LYS 6 HE1 LYS 6 57.766 2.644 4.697 68 HZ1 LYS 6 HZ1 LYS 6 56.138 0.814 5.803 69 HZ2 LYS 6 HZ2 LYS 6 55.122 2.176 5.789 70 HZ3 LYS 6 HZ3 LYS 6 56.628 2.244 6.572 71 H TRP 7 HN TRP 7 54.593 7.234 0.739 72 HA TRP 7 HA TRP 7 52.506 9.036 1.719 73 HB2 TRP 7 HB2 TRP 7 54.621 10.193 2.449 74 HB3 TRP 7 HB1 TRP 7 55.105 10.280 0.738 75 HD1 TRP 7 HD1 TRP 7 54.088 12.156 -0.696 76 HE1 TRP 7 HE1 TRP 7 52.376 14.074 -0.304 77 HE3 TRP 7 HE3 TRP 7 52.338 10.749 3.906 78 HZ2 TRP 7 HZ2 TRP 7 50.512 14.862 1.745 79 HZ3 TRP 7 HZ3 TRP 7 50.593 12.099 5.060 80 HH2 TRP 7 HH2 TRP 7 49.680 14.152 3.985 81 H LEU 8 HN LEU 8 53.833 7.118 -0.557 82 HA LEU 8 HA LEU 8 53.717 8.411 -3.017 83 HB2 LEU 8 HB2 LEU 8 52.318 5.754 -2.986 84 HB3 LEU 8 HB1 LEU 8 53.703 6.306 -3.952 85 HG LEU 8 HG LEU 8 54.996 6.216 -1.621 86 HD11 LEU 8 HD11 LEU 8 52.939 4.028 -1.115 87 HD12 LEU 8 HD12 LEU 8 52.719 5.659 -0.447 88 HD13 LEU 8 HD13 LEU 8 54.148 4.700 0.003 89 HD21 LEU 8 HD21 LEU 8 55.510 3.785 -2.057 90 HD22 LEU 8 HD22 LEU 8 55.586 4.803 -3.515 91 HD23 LEU 8 HD23 LEU 8 54.173 3.759 -3.232 92 H ARG 9 HN ARG 9 50.918 6.521 -1.792 93 HA ARG 9 HA ARG 9 49.047 8.696 -2.165 94 HB2 ARG 9 HB2 ARG 9 47.792 7.391 -4.076 95 HB3 ARG 9 HB1 ARG 9 49.157 8.449 -4.501 96 HG2 ARG 9 HG2 ARG 9 49.300 6.242 -5.643 97 HG3 ARG 9 HG1 ARG 9 50.681 6.518 -4.560 98 HD2 ARG 9 HD2 ARG 9 49.850 5.006 -2.924 99 HD3 ARG 9 HD1 ARG 9 48.207 5.025 -3.615 100 HE ARG 9 HE ARG 9 48.908 3.307 -5.059 101 HH11 ARG 9 HH11 ARG 9 51.148 2.494 -3.341 102 HH12 ARG 9 HH12 ARG 9 52.525 2.667 -4.377 103 HH21 ARG 9 HH21 ARG 9 50.880 4.677 -6.673 104 HH22 ARG 9 HH22 ARG 9 52.373 3.903 -6.262 105 H ARG 10 HN ARG 10 49.991 6.311 -0.463 106 HA ARG 10 HA ARG 10 48.152 4.262 -0.246 107 HB2 ARG 10 HB2 ARG 10 48.446 4.759 2.393 108 HB3 ARG 10 HB1 ARG 10 49.784 4.130 1.403 109 HG2 ARG 10 HG2 ARG 10 50.798 6.277 1.189 110 HG3 ARG 10 HG1 ARG 10 49.340 7.120 1.761 111 HD2 ARG 10 HD2 ARG 10 51.177 6.953 3.491 112 HD3 ARG 10 HD1 ARG 10 49.633 6.235 4.007 113 HE ARG 10 HE ARG 10 51.315 4.243 2.760 114 HH11 ARG 10 HH11 ARG 10 50.558 5.973 5.635 115 HH12 ARG 10 HH12 ARG 10 51.425 4.893 6.676 116 HH21 ARG 10 HH21 ARG 10 52.576 2.896 4.084 117 HH22 ARG 10 HH22 ARG 10 52.567 3.152 5.798 118 H ILE 11 HN ILE 11 47.667 6.748 2.229 119 HA ILE 11 HA ILE 11 44.756 6.435 1.943 120 HB ILE 11 HB ILE 11 44.697 8.155 3.808 121 HG12 ILE 11 HG12 ILE 11 47.717 7.744 3.990 122 HG13 ILE 11 HG11 ILE 11 47.044 9.087 3.046 123 HG21 ILE 11 HG21 ILE 11 46.506 5.743 4.293 124 HG22 ILE 11 HG22 ILE 11 44.733 5.674 4.177 125 HG23 ILE 11 HG23 ILE 11 45.501 6.573 5.502 126 HD11 ILE 11 HD1 ILE 11 47.515 9.908 5.274 127 HD12 ILE 11 HD2 ILE 11 46.633 8.557 6.018 128 HD13 ILE 11 HD3 ILE 11 45.750 9.799 5.099 129 H GLY 12 HN GLY 12 47.230 8.472 0.673 130 HA2 GLY 12 HA1 GLY 12 45.817 10.921 0.370 131 HA3 GLY 12 HA2 GLY 12 47.100 10.331 -0.713 132 H LYS 13 HN LYS 13 45.873 7.974 -1.613 133 HA LYS 13 HA LYS 13 44.400 8.835 -3.839 134 HB2 LYS 13 HB2 LYS 13 45.327 6.564 -3.593 135 HB3 LYS 13 HB1 LYS 13 44.149 6.215 -2.306 136 HG2 LYS 13 HG2 LYS 13 42.297 6.388 -3.840 137 HG3 LYS 13 HG1 LYS 13 43.344 7.042 -5.125 138 HD2 LYS 13 HD2 LYS 13 42.861 4.639 -5.500 139 HD3 LYS 13 HD1 LYS 13 44.593 4.906 -5.198 140 HE2 LYS 13 HE2 LYS 13 44.482 3.994 -3.017 141 HE3 LYS 13 HE1 LYS 13 42.720 4.225 -2.902 142 HZ1 LYS 13 HZ1 LYS 13 43.434 1.894 -3.303 143 HZ2 LYS 13 HZ2 LYS 13 44.031 2.367 -4.822 144 HZ3 LYS 13 HZ3 LYS 13 42.371 2.495 -4.480 145 H GLY 14 HN GLY 14 43.486 8.752 -0.542 146 HA2 GLY 14 HA1 GLY 14 40.561 8.774 -1.163 147 HA3 GLY 14 HA2 GLY 14 41.306 8.577 0.434 148 H VAL 15 HN VAL 15 43.093 10.734 0.529 149 HA VAL 15 HA VAL 15 41.104 12.997 0.622 150 HB VAL 15 HB VAL 15 42.096 12.512 2.778 151 HG11 VAL 15 HG11 VAL 15 44.804 12.877 1.429 152 HG12 VAL 15 HG12 VAL 15 44.107 11.320 1.939 153 HG13 VAL 15 HG13 VAL 15 44.519 12.552 3.154 154 HG21 VAL 15 HG21 VAL 15 41.840 14.939 1.971 155 HG22 VAL 15 HG22 VAL 15 43.597 14.929 1.688 156 HG23 VAL 15 HG23 VAL 15 42.958 14.680 3.332 157 H LYS 16 HN LYS 16 44.398 12.144 -0.494 158 HA LYS 16 HA LYS 16 45.187 14.684 -1.430 159 HB2 LYS 16 HB2 LYS 16 46.551 12.534 -1.394 160 HB3 LYS 16 HB1 LYS 16 45.715 12.073 -2.895 161 HG2 LYS 16 HG2 LYS 16 46.481 14.263 -3.906 162 HG3 LYS 16 HG1 LYS 16 47.461 14.530 -2.443 163 HD2 LYS 16 HD2 LYS 16 48.668 12.409 -2.856 164 HD3 LYS 16 HD1 LYS 16 47.686 12.132 -4.315 165 HE2 LYS 16 HE2 LYS 16 49.467 14.566 -3.866 166 HE3 LYS 16 HE1 LYS 16 49.927 13.139 -4.825 167 HZ1 LYS 16 HZ1 LYS 16 47.353 14.197 -5.543 168 HZ2 LYS 16 HZ2 LYS 16 48.684 13.816 -6.528 169 HZ3 LYS 16 HZ3 LYS 16 48.599 15.327 -5.757 170 H ILE 17 HN ILE 17 43.736 12.071 -3.433 171 HA ILE 17 HA ILE 17 43.115 13.958 -5.571 172 HB ILE 17 HB ILE 17 43.646 11.424 -5.771 173 HG12 ILE 17 HG12 ILE 17 41.155 12.445 -7.218 174 HG13 ILE 17 HG11 ILE 17 42.820 12.894 -7.647 175 HG21 ILE 17 HG21 ILE 17 41.825 10.871 -4.014 176 HG22 ILE 17 HG22 ILE 17 41.910 9.838 -5.459 177 HG23 ILE 17 HG23 ILE 17 40.657 11.095 -5.337 178 HD11 ILE 17 HD1 ILE 17 42.246 11.084 -9.100 179 HD12 ILE 17 HD2 ILE 17 41.527 10.145 -7.771 180 HD13 ILE 17 HD3 ILE 17 43.291 10.372 -7.849 181 H ILE 18 HN ILE 18 41.885 13.916 -2.637 182 HA ILE 18 HA ILE 18 39.869 14.588 -1.713 183 HB ILE 18 HB ILE 18 38.963 15.348 -4.522 184 HG12 ILE 18 HG12 ILE 18 40.771 16.880 -2.593 185 HG13 ILE 18 HG11 ILE 18 41.245 16.218 -4.175 186 HG21 ILE 18 HG21 ILE 18 38.454 16.731 -1.856 187 HG22 ILE 18 HG22 ILE 18 37.395 15.443 -2.478 188 HG23 ILE 18 HG23 ILE 18 37.589 16.954 -3.395 189 HD11 ILE 18 HD1 ILE 18 39.309 17.671 -5.142 190 HD12 ILE 18 HD2 ILE 18 40.792 18.506 -4.622 191 HD13 ILE 18 HD3 ILE 18 39.353 18.516 -3.576 192 H GLY 19 HN GLY 19 38.989 12.699 -1.011 193 HA2 GLY 19 HA1 GLY 19 37.767 10.796 -2.832 194 HA3 GLY 19 HA2 GLY 19 37.699 10.770 -1.059 195 H GLY 20 HN GLY 20 35.912 11.074 -3.847 196 HA2 GLY 20 HA1 GLY 20 33.948 13.022 -2.915 197 HA3 GLY 20 HA2 GLY 20 33.802 11.943 -4.317 198 H ALA 21 HN ALA 21 34.658 9.836 -2.053 199 HA ALA 21 HA ALA 21 31.927 8.885 -1.681 200 HB1 ALA 21 HB1 ALA 21 33.007 7.078 -0.392 201 HB2 ALA 21 HB2 ALA 21 34.554 7.957 -0.467 202 HB3 ALA 21 HB3 ALA 21 33.807 7.335 -1.960 203 H ALA 22 HN ALA 22 33.127 11.507 -0.422 204 HA ALA 22 HA ALA 22 31.527 11.313 2.015 205 HB1 ALA 22 HB1 ALA 22 33.550 10.269 2.863 206 HB2 ALA 22 HB2 ALA 22 33.406 11.907 3.544 207 HB3 ALA 22 HB3 ALA 22 34.546 11.593 2.214 208 H LEU 23 HN LEU 23 34.257 13.136 0.541 209 HA LEU 23 HA LEU 23 33.088 15.698 1.385 210 HB2 LEU 23 HB2 LEU 23 35.323 15.315 -0.635 211 HB3 LEU 23 HB1 LEU 23 35.037 16.687 0.461 212 HG LEU 23 HG LEU 23 35.859 13.861 1.266 213 HD11 LEU 23 HD11 LEU 23 37.314 16.527 1.538 214 HD12 LEU 23 HD12 LEU 23 37.630 15.337 0.253 215 HD13 LEU 23 HD13 LEU 23 37.949 14.917 1.953 216 HD21 LEU 23 HD21 LEU 23 34.435 14.666 3.017 217 HD22 LEU 23 HD22 LEU 23 35.076 16.321 2.885 218 HD23 LEU 23 HD23 LEU 23 36.088 15.025 3.566 219 H ASP 24 HN ASP 24 31.044 14.684 0.121 220 HA ASP 24 HA ASP 24 30.719 16.444 -2.171 221 HB2 ASP 24 HB2 ASP 24 31.975 14.595 -3.254 222 HB3 ASP 24 HB1 ASP 24 30.731 13.446 -2.704 223 H HIS 25 HN HIS 25 29.639 14.642 0.403 224 HA HIS 25 HA HIS 25 26.954 14.009 -0.497 225 HB2 HIS 25 HB2 HIS 25 28.031 12.893 1.437 226 HB3 HIS 25 HB1 HIS 25 28.020 14.437 2.323 227 HD1 HIS 25 HD1 HIS 25 25.656 11.841 0.817 228 HD2 HIS 25 HD2 HIS 25 25.583 15.042 3.545 229 HE1 HIS 25 HE1 HIS 25 23.346 11.863 1.905 230 H LEU 26 HN LEU 26 28.442 16.724 1.289 231 HA LEU 26 HA LEU 26 27.570 18.798 1.873 232 HB2 LEU 26 HB2 LEU 26 25.874 18.586 -0.635 233 HB3 LEU 26 HB1 LEU 26 26.618 20.033 0.085 234 HG LEU 26 HG LEU 26 28.081 17.699 -1.227 235 HD11 LEU 26 HD11 LEU 26 26.998 19.248 -2.813 236 HD12 LEU 26 HD12 LEU 26 28.765 19.451 -2.857 237 HD13 LEU 26 HD13 LEU 26 27.754 20.635 -1.994 238 HD21 LEU 26 HD21 LEU 26 29.061 20.153 0.291 239 HD22 LEU 26 HD22 LEU 26 30.087 19.297 -0.885 240 HD23 LEU 26 HD23 LEU 26 29.492 18.447 0.558 Start of MODEL 77 1 H1 GLY 1 HT1 GLY 1 59.587 2.118 -3.996 2 H2 GLY 1 HT2 GLY 1 58.712 1.251 -5.168 3 H3 GLY 1 HT3 GLY 1 59.363 0.447 -3.820 4 HA2 GLY 1 HA1 GLY 1 56.886 1.721 -4.125 5 HA3 GLY 1 HA2 GLY 1 57.478 0.698 -2.802 6 H ARG 2 HN ARG 2 59.259 1.877 -1.431 7 HA ARG 2 HA ARG 2 57.918 4.224 -0.316 8 HB2 ARG 2 HB2 ARG 2 60.606 2.963 0.360 9 HB3 ARG 2 HB1 ARG 2 59.741 4.173 1.339 10 HG2 ARG 2 HG2 ARG 2 57.883 2.642 1.697 11 HG3 ARG 2 HG1 ARG 2 58.590 1.456 0.573 12 HD2 ARG 2 HD2 ARG 2 60.009 2.422 3.088 13 HD3 ARG 2 HD1 ARG 2 58.986 0.967 3.043 14 HE ARG 2 HE ARG 2 60.858 0.736 0.926 15 HH11 ARG 2 HH11 ARG 2 61.755 1.893 3.901 16 HH12 ARG 2 HH12 ARG 2 62.750 0.546 4.344 17 HH21 ARG 2 HH21 ARG 2 61.720 -1.429 1.685 18 HH22 ARG 2 HH22 ARG 2 62.730 -1.335 3.090 19 H ARG 3 HN ARG 3 58.212 5.231 -2.632 20 HA ARG 3 HA ARG 3 60.869 6.396 -3.108 21 HB2 ARG 3 HB2 ARG 3 58.188 7.064 -4.386 22 HB3 ARG 3 HB1 ARG 3 59.802 7.486 -5.006 23 HG2 ARG 3 HG2 ARG 3 60.347 5.040 -5.137 24 HG3 ARG 3 HG1 ARG 3 58.677 4.675 -4.641 25 HD2 ARG 3 HD2 ARG 3 58.815 4.563 -7.076 26 HD3 ARG 3 HD1 ARG 3 57.855 5.991 -6.619 27 HE ARG 3 HE ARG 3 59.559 7.352 -7.536 28 HH11 ARG 3 HH11 ARG 3 61.979 7.582 -7.167 29 HH12 ARG 3 HH12 ARG 3 62.920 6.315 -7.880 30 HH21 ARG 3 HH21 ARG 3 60.205 4.220 -8.391 31 HH22 ARG 3 HH22 ARG 3 61.917 4.413 -8.573 32 H LYS 4 HN LYS 4 57.630 7.606 -2.127 33 HA LYS 4 HA LYS 4 58.886 10.221 -1.360 34 HB2 LYS 4 HB2 LYS 4 55.947 9.435 -1.436 35 HB3 LYS 4 HB1 LYS 4 56.628 11.072 -1.278 36 HG2 LYS 4 HG2 LYS 4 57.742 10.764 -3.519 37 HG3 LYS 4 HG1 LYS 4 56.905 9.205 -3.672 38 HD2 LYS 4 HD2 LYS 4 55.448 10.645 -4.834 39 HD3 LYS 4 HD1 LYS 4 54.714 10.611 -3.217 40 HE2 LYS 4 HE2 LYS 4 55.743 12.751 -2.645 41 HE3 LYS 4 HE1 LYS 4 56.684 12.751 -4.156 42 HZ1 LYS 4 HZ1 LYS 4 54.732 12.998 -5.424 43 HZ2 LYS 4 HZ2 LYS 4 54.588 14.113 -4.151 44 HZ3 LYS 4 HZ3 LYS 4 53.717 12.655 -4.109 45 H ARG 5 HN ARG 5 58.971 7.480 0.102 46 HA ARG 5 HA ARG 5 58.858 6.756 2.304 47 HB2 ARG 5 HB2 ARG 5 58.909 9.748 2.865 48 HB3 ARG 5 HB1 ARG 5 59.270 8.469 4.043 49 HG2 ARG 5 HG2 ARG 5 60.810 8.577 1.422 50 HG3 ARG 5 HG1 ARG 5 61.256 9.669 2.751 51 HD2 ARG 5 HD2 ARG 5 61.113 6.622 2.919 52 HD3 ARG 5 HD1 ARG 5 62.595 7.602 2.851 53 HE ARG 5 HE ARG 5 61.234 8.621 5.043 54 HH11 ARG 5 HH11 ARG 5 60.085 5.821 5.227 55 HH12 ARG 5 HH12 ARG 5 61.228 5.049 6.275 56 HH21 ARG 5 HH21 ARG 5 63.652 7.495 5.867 57 HH22 ARG 5 HH22 ARG 5 63.248 5.996 6.635 58 H LYS 6 HN LYS 6 56.734 5.890 2.018 59 HA LYS 6 HA LYS 6 54.454 5.722 2.470 60 HB2 LYS 6 HB2 LYS 6 55.599 7.058 4.944 61 HB3 LYS 6 HB1 LYS 6 53.882 6.601 4.851 62 HG2 LYS 6 HG2 LYS 6 55.272 4.827 5.916 63 HG3 LYS 6 HG1 LYS 6 54.492 4.262 4.421 64 HD2 LYS 6 HD2 LYS 6 56.516 4.374 3.176 65 HD3 LYS 6 HD1 LYS 6 57.314 5.399 4.394 66 HE2 LYS 6 HE2 LYS 6 58.064 2.980 4.420 67 HE3 LYS 6 HE1 LYS 6 57.409 3.555 5.972 68 HZ1 LYS 6 HZ1 LYS 6 55.298 2.545 5.437 69 HZ2 LYS 6 HZ2 LYS 6 56.527 1.376 5.323 70 HZ3 LYS 6 HZ3 LYS 6 55.864 2.056 3.914 71 H TRP 7 HN TRP 7 54.288 7.364 0.603 72 HA TRP 7 HA TRP 7 52.235 9.257 1.335 73 HB2 TRP 7 HB2 TRP 7 54.331 10.480 2.101 74 HB3 TRP 7 HB1 TRP 7 54.844 10.517 0.397 75 HD1 TRP 7 HD1 TRP 7 53.997 12.483 -0.975 76 HE1 TRP 7 HE1 TRP 7 52.153 14.302 -0.735 77 HE3 TRP 7 HE3 TRP 7 51.738 10.786 3.293 78 HZ2 TRP 7 HZ2 TRP 7 50.000 14.907 1.079 79 HZ3 TRP 7 HZ3 TRP 7 49.791 11.999 4.261 80 HH2 TRP 7 HH2 TRP 7 48.921 14.057 3.159 81 H LEU 8 HN LEU 8 53.645 7.185 -0.676 82 HA LEU 8 HA LEU 8 53.666 8.354 -3.237 83 HB2 LEU 8 HB2 LEU 8 52.473 5.590 -3.022 84 HB3 LEU 8 HB1 LEU 8 53.759 6.193 -4.083 85 HG LEU 8 HG LEU 8 54.863 4.715 -2.627 86 HD11 LEU 8 HD11 LEU 8 56.535 6.039 -1.738 87 HD12 LEU 8 HD12 LEU 8 55.418 7.133 -0.909 88 HD13 LEU 8 HD13 LEU 8 55.685 7.297 -2.658 89 HD21 LEU 8 HD21 LEU 8 53.550 4.031 -0.864 90 HD22 LEU 8 HD22 LEU 8 52.824 5.631 -0.620 91 HD23 LEU 8 HD23 LEU 8 54.429 5.269 0.057 92 H ARG 9 HN ARG 9 50.978 6.322 -2.024 93 HA ARG 9 HA ARG 9 48.940 8.285 -2.533 94 HB2 ARG 9 HB2 ARG 9 47.898 6.923 -4.505 95 HB3 ARG 9 HB1 ARG 9 49.221 8.054 -4.865 96 HG2 ARG 9 HG2 ARG 9 49.570 5.887 -6.007 97 HG3 ARG 9 HG1 ARG 9 50.850 6.186 -4.813 98 HD2 ARG 9 HD2 ARG 9 49.983 4.581 -3.302 99 HD3 ARG 9 HD1 ARG 9 48.372 4.594 -4.065 100 HE ARG 9 HE ARG 9 49.173 2.977 -5.579 101 HH11 ARG 9 HH11 ARG 9 51.296 4.344 -6.957 102 HH12 ARG 9 HH12 ARG 9 52.738 3.539 -6.437 103 HH21 ARG 9 HH21 ARG 9 51.242 2.081 -3.669 104 HH22 ARG 9 HH22 ARG 9 52.708 2.259 -4.574 105 H ARG 10 HN ARG 10 50.061 5.923 -0.850 106 HA ARG 10 HA ARG 10 48.409 3.725 -0.718 107 HB2 ARG 10 HB2 ARG 10 48.553 4.204 1.939 108 HB3 ARG 10 HB1 ARG 10 49.980 3.718 0.996 109 HG2 ARG 10 HG2 ARG 10 50.791 5.957 0.843 110 HG3 ARG 10 HG1 ARG 10 49.242 6.646 1.381 111 HD2 ARG 10 HD2 ARG 10 49.565 5.546 3.609 112 HD3 ARG 10 HD1 ARG 10 51.155 4.962 3.059 113 HE ARG 10 HE ARG 10 51.999 7.153 3.366 114 HH11 ARG 10 HH11 ARG 10 50.584 7.987 5.579 115 HH12 ARG 10 HH12 ARG 10 49.532 9.259 5.055 116 HH21 ARG 10 HH21 ARG 10 49.762 8.426 1.697 117 HH22 ARG 10 HH22 ARG 10 49.066 9.507 2.858 118 H ILE 11 HN ILE 11 47.592 6.112 1.765 119 HA ILE 11 HA ILE 11 44.727 5.546 1.325 120 HB ILE 11 HB ILE 11 45.724 5.746 3.631 121 HG12 ILE 11 HG12 ILE 11 43.652 7.908 3.017 122 HG13 ILE 11 HG11 ILE 11 43.280 6.172 3.101 123 HG21 ILE 11 HG21 ILE 11 47.276 7.664 2.927 124 HG22 ILE 11 HG22 ILE 11 46.449 7.866 4.489 125 HG23 ILE 11 HG23 ILE 11 45.860 8.733 3.050 126 HD11 ILE 11 HD1 ILE 11 44.246 8.000 5.329 127 HD12 ILE 11 HD2 ILE 11 44.334 6.227 5.461 128 HD13 ILE 11 HD3 ILE 11 42.758 7.029 5.266 129 H GLY 12 HN GLY 12 47.091 7.826 0.302 130 HA2 GLY 12 HA1 GLY 12 45.569 10.199 0.069 131 HA3 GLY 12 HA2 GLY 12 46.898 9.724 -1.011 132 H LYS 13 HN LYS 13 45.799 7.375 -2.079 133 HA LYS 13 HA LYS 13 44.363 8.313 -4.292 134 HB2 LYS 13 HB2 LYS 13 45.365 6.078 -4.185 135 HB3 LYS 13 HB1 LYS 13 44.197 5.594 -2.934 136 HG2 LYS 13 HG2 LYS 13 42.351 5.744 -4.460 137 HG3 LYS 13 HG1 LYS 13 43.340 6.579 -5.683 138 HD2 LYS 13 HD2 LYS 13 42.985 4.156 -6.220 139 HD3 LYS 13 HD1 LYS 13 44.704 4.565 -6.005 140 HE2 LYS 13 HE2 LYS 13 44.811 3.523 -3.875 141 HE3 LYS 13 HE1 LYS 13 43.041 3.535 -3.676 142 HZ1 LYS 13 HZ1 LYS 13 43.612 1.347 -4.249 143 HZ2 LYS 13 HZ2 LYS 13 44.675 1.836 -5.481 144 HZ3 LYS 13 HZ3 LYS 13 42.998 2.019 -5.681 145 H GLY 14 HN GLY 14 43.314 8.013 -1.045 146 HA2 GLY 14 HA1 GLY 14 40.419 8.005 -1.834 147 HA3 GLY 14 HA2 GLY 14 41.072 7.627 -0.230 148 H VAL 15 HN VAL 15 42.858 9.831 0.084 149 HA VAL 15 HA VAL 15 40.813 12.029 0.396 150 HB VAL 15 HB VAL 15 42.413 12.918 2.133 151 HG11 VAL 15 HG11 VAL 15 41.464 10.056 2.586 152 HG12 VAL 15 HG12 VAL 15 40.425 11.497 2.683 153 HG13 VAL 15 HG13 VAL 15 41.763 11.283 3.838 154 HG21 VAL 15 HG21 VAL 15 44.479 11.852 1.367 155 HG22 VAL 15 HG22 VAL 15 43.769 10.236 1.606 156 HG23 VAL 15 HG23 VAL 15 44.104 11.276 3.008 157 H LYS 16 HN LYS 16 44.132 11.298 -0.689 158 HA LYS 16 HA LYS 16 44.862 13.998 -1.283 159 HB2 LYS 16 HB2 LYS 16 46.430 12.040 -1.175 160 HB3 LYS 16 HB1 LYS 16 45.780 11.493 -2.741 161 HG2 LYS 16 HG2 LYS 16 46.471 13.592 -3.802 162 HG3 LYS 16 HG1 LYS 16 47.031 14.228 -2.238 163 HD2 LYS 16 HD2 LYS 16 48.708 12.423 -2.084 164 HD3 LYS 16 HD1 LYS 16 48.133 11.747 -3.628 165 HE2 LYS 16 HE2 LYS 16 48.820 13.731 -4.836 166 HE3 LYS 16 HE1 LYS 16 49.188 14.588 -3.321 167 HZ1 LYS 16 HZ1 LYS 16 50.596 12.232 -4.463 168 HZ2 LYS 16 HZ2 LYS 16 50.843 12.783 -2.876 169 HZ3 LYS 16 HZ3 LYS 16 51.223 13.784 -4.195 170 H ILE 17 HN ILE 17 43.361 11.441 -3.326 171 HA ILE 17 HA ILE 17 43.346 12.853 -5.751 172 HB ILE 17 HB ILE 17 42.606 10.521 -5.626 173 HG12 ILE 17 HG12 ILE 17 40.612 10.613 -7.043 174 HG13 ILE 17 HG11 ILE 17 40.249 12.266 -6.505 175 HG21 ILE 17 HG21 ILE 17 40.563 9.845 -4.547 176 HG22 ILE 17 HG22 ILE 17 40.092 11.532 -4.252 177 HG23 ILE 17 HG23 ILE 17 41.469 10.829 -3.373 178 HD11 ILE 17 HD1 ILE 17 42.920 11.625 -7.804 179 HD12 ILE 17 HD2 ILE 17 42.072 13.188 -7.700 180 HD13 ILE 17 HD3 ILE 17 41.477 11.924 -8.801 181 H ILE 18 HN ILE 18 41.336 13.296 -2.882 182 HA ILE 18 HA ILE 18 39.931 15.577 -4.286 183 HB ILE 18 HB ILE 18 38.186 15.268 -2.398 184 HG12 ILE 18 HG12 ILE 18 39.100 12.369 -2.302 185 HG13 ILE 18 HG11 ILE 18 39.908 13.539 -1.244 186 HG21 ILE 18 HG21 ILE 18 38.596 13.303 -4.681 187 HG22 ILE 18 HG22 ILE 18 37.532 14.726 -4.615 188 HG23 ILE 18 HG23 ILE 18 37.132 13.272 -3.673 189 HD11 ILE 18 HD1 ILE 18 38.027 12.499 -0.062 190 HD12 ILE 18 HD2 ILE 18 36.907 12.995 -1.352 191 HD13 ILE 18 HD3 ILE 18 37.691 14.224 -0.331 192 H GLY 19 HN GLY 19 39.376 15.298 -0.926 193 HA2 GLY 19 HA1 GLY 19 41.718 16.772 -0.028 194 HA3 GLY 19 HA2 GLY 19 40.305 17.824 -0.250 195 H GLY 20 HN GLY 20 39.444 14.622 0.514 196 HA2 GLY 20 HA1 GLY 20 38.749 13.611 2.484 197 HA3 GLY 20 HA2 GLY 20 39.707 14.796 3.394 198 H ALA 21 HN ALA 21 38.076 16.850 1.637 199 HA ALA 21 HA ALA 21 36.125 17.385 3.736 200 HB1 ALA 21 HB1 ALA 21 37.176 19.236 2.600 201 HB2 ALA 21 HB2 ALA 21 35.443 19.248 2.196 202 HB3 ALA 21 HB3 ALA 21 36.629 18.637 1.018 203 H ALA 22 HN ALA 22 35.860 16.595 0.237 204 HA ALA 22 HA ALA 22 33.031 16.358 0.194 205 HB1 ALA 22 HB1 ALA 22 34.547 16.445 -1.797 206 HB2 ALA 22 HB2 ALA 22 33.334 15.144 -1.875 207 HB3 ALA 22 HB3 ALA 22 35.022 14.764 -1.453 208 H LEU 23 HN LEU 23 35.340 14.444 1.799 209 HA LEU 23 HA LEU 23 34.066 11.867 1.574 210 HB2 LEU 23 HB2 LEU 23 36.439 12.395 2.401 211 HB3 LEU 23 HB1 LEU 23 35.686 12.879 3.937 212 HG LEU 23 HG LEU 23 34.498 10.497 3.781 213 HD11 LEU 23 HD11 LEU 23 35.274 9.876 1.540 214 HD12 LEU 23 HD12 LEU 23 36.034 8.805 2.734 215 HD13 LEU 23 HD13 LEU 23 36.968 10.137 2.019 216 HD21 LEU 23 HD21 LEU 23 36.440 9.481 4.981 217 HD22 LEU 23 HD22 LEU 23 36.077 11.128 5.553 218 HD23 LEU 23 HD23 LEU 23 37.453 10.848 4.458 219 H ASP 24 HN ASP 24 33.471 14.729 3.509 220 HA ASP 24 HA ASP 24 30.964 13.520 4.506 221 HB2 ASP 24 HB2 ASP 24 32.657 12.816 6.197 222 HB3 ASP 24 HB1 ASP 24 33.077 14.527 6.455 223 H HIS 25 HN HIS 25 30.934 15.421 2.713 224 HA HIS 25 HA HIS 25 31.281 18.109 3.510 225 HB2 HIS 25 HB2 HIS 25 30.722 17.315 1.200 226 HB3 HIS 25 HB1 HIS 25 29.056 17.009 1.748 227 HD1 HIS 25 HD1 HIS 25 31.454 19.973 2.319 228 HD2 HIS 25 HD2 HIS 25 27.606 19.171 0.824 229 HE1 HIS 25 HE1 HIS 25 30.369 22.219 1.766 230 H LEU 26 HN LEU 26 30.146 19.568 4.685 231 HA LEU 26 HA LEU 26 28.202 18.528 6.583 232 HB2 LEU 26 HB2 LEU 26 29.305 21.280 5.930 233 HB3 LEU 26 HB1 LEU 26 27.973 21.084 7.091 234 HG LEU 26 HG LEU 26 29.357 19.540 8.437 235 HD11 LEU 26 HD11 LEU 26 31.870 19.478 7.817 236 HD12 LEU 26 HD12 LEU 26 31.365 20.033 6.203 237 HD13 LEU 26 HD13 LEU 26 30.774 18.479 6.838 238 HD21 LEU 26 HD21 LEU 26 30.795 22.142 7.738 239 HD22 LEU 26 HD22 LEU 26 30.999 21.209 9.239 240 HD23 LEU 26 HD23 LEU 26 29.438 21.985 8.879 Start of MODEL 78 1 H1 GLY 1 HT1 GLY 1 53.930 8.121 -10.494 2 H2 GLY 1 HT2 GLY 1 53.895 6.907 -9.305 3 H3 GLY 1 HT3 GLY 1 55.377 7.414 -9.966 4 HA2 GLY 1 HA1 GLY 1 54.494 9.720 -9.098 5 HA3 GLY 1 HA2 GLY 1 53.710 8.624 -7.943 6 H ARG 2 HN ARG 2 55.014 7.195 -6.670 7 HA ARG 2 HA ARG 2 56.831 6.777 -5.297 8 HB2 ARG 2 HB2 ARG 2 58.587 7.836 -7.538 9 HB3 ARG 2 HB1 ARG 2 58.996 6.631 -6.294 10 HG2 ARG 2 HG2 ARG 2 57.168 5.153 -7.244 11 HG3 ARG 2 HG1 ARG 2 57.009 6.317 -8.582 12 HD2 ARG 2 HD2 ARG 2 59.526 4.770 -7.821 13 HD3 ARG 2 HD1 ARG 2 58.505 4.490 -9.253 14 HE ARG 2 HE ARG 2 59.325 7.205 -9.322 15 HH11 ARG 2 HH11 ARG 2 61.943 6.446 -8.423 16 HH12 ARG 2 HH12 ARG 2 62.730 5.837 -9.841 17 HH21 ARG 2 HH21 ARG 2 59.779 5.377 -11.602 18 HH22 ARG 2 HH22 ARG 2 61.504 5.231 -11.640 19 H ARG 3 HN ARG 3 58.144 7.764 -3.764 20 HA ARG 3 HA ARG 3 59.034 10.513 -4.061 21 HB2 ARG 3 HB2 ARG 3 56.579 10.870 -3.730 22 HB3 ARG 3 HB1 ARG 3 56.702 10.031 -2.165 23 HG2 ARG 3 HG2 ARG 3 58.248 11.701 -1.316 24 HG3 ARG 3 HG1 ARG 3 58.355 12.480 -2.913 25 HD2 ARG 3 HD2 ARG 3 55.871 12.926 -2.780 26 HD3 ARG 3 HD1 ARG 3 55.904 12.318 -1.108 27 HE ARG 3 HE ARG 3 56.775 14.935 -1.958 28 HH11 ARG 3 HH11 ARG 3 56.042 13.566 0.811 29 HH12 ARG 3 HH12 ARG 3 57.466 13.988 1.704 30 HH21 ARG 3 HH21 ARG 3 59.261 14.946 -1.104 31 HH22 ARG 3 HH22 ARG 3 59.289 14.770 0.619 32 H LYS 4 HN LYS 4 57.881 8.159 -1.597 33 HA LYS 4 HA LYS 4 60.576 7.827 -0.547 34 HB2 LYS 4 HB2 LYS 4 60.148 8.771 1.693 35 HB3 LYS 4 HB1 LYS 4 60.068 10.029 0.436 36 HG2 LYS 4 HG2 LYS 4 57.531 9.610 0.378 37 HG3 LYS 4 HG1 LYS 4 57.755 8.664 1.869 38 HD2 LYS 4 HD2 LYS 4 58.612 11.570 1.503 39 HD3 LYS 4 HD1 LYS 4 57.123 11.044 2.321 40 HE2 LYS 4 HE2 LYS 4 58.675 9.613 3.834 41 HE3 LYS 4 HE1 LYS 4 60.003 10.603 3.179 42 HZ1 LYS 4 HZ1 LYS 4 58.643 11.309 5.315 43 HZ2 LYS 4 HZ2 LYS 4 57.622 12.002 4.148 44 HZ3 LYS 4 HZ3 LYS 4 59.258 12.453 4.225 45 H ARG 5 HN ARG 5 58.356 6.240 -1.559 46 HA ARG 5 HA ARG 5 57.260 4.271 -1.076 47 HB2 ARG 5 HB2 ARG 5 59.354 4.293 1.122 48 HB3 ARG 5 HB1 ARG 5 58.184 2.964 0.972 49 HG2 ARG 5 HG2 ARG 5 60.256 2.404 -0.226 50 HG3 ARG 5 HG1 ARG 5 58.917 2.600 -1.380 51 HD2 ARG 5 HD2 ARG 5 59.711 4.710 -2.124 52 HD3 ARG 5 HD1 ARG 5 60.760 4.921 -0.700 53 HE ARG 5 HE ARG 5 61.723 2.626 -1.970 54 HH11 ARG 5 HH11 ARG 5 63.935 3.900 -2.178 55 HH12 ARG 5 HH12 ARG 5 63.971 4.866 -3.615 56 HH21 ARG 5 HH21 ARG 5 60.541 4.739 -4.107 57 HH22 ARG 5 HH22 ARG 5 62.050 5.341 -4.708 58 H LYS 6 HN LYS 6 57.002 6.953 0.949 59 HA LYS 6 HA LYS 6 54.485 5.848 2.114 60 HB2 LYS 6 HB2 LYS 6 56.728 7.135 3.736 61 HB3 LYS 6 HB1 LYS 6 55.067 6.934 4.325 62 HG2 LYS 6 HG2 LYS 6 55.846 4.925 5.154 63 HG3 LYS 6 HG1 LYS 6 55.612 4.343 3.495 64 HD2 LYS 6 HD2 LYS 6 57.993 4.948 2.989 65 HD3 LYS 6 HD1 LYS 6 58.200 5.442 4.684 66 HE2 LYS 6 HE2 LYS 6 57.395 2.659 3.730 67 HE3 LYS 6 HE1 LYS 6 59.005 3.126 4.327 68 HZ1 LYS 6 HZ1 LYS 6 57.268 4.005 6.253 69 HZ2 LYS 6 HZ2 LYS 6 58.238 2.612 6.334 70 HZ3 LYS 6 HZ3 LYS 6 56.630 2.501 5.798 71 H TRP 7 HN TRP 7 53.126 7.566 3.055 72 HA TRP 7 HA TRP 7 52.005 9.570 2.769 73 HB2 TRP 7 HB2 TRP 7 54.061 10.384 3.959 74 HB3 TRP 7 HB1 TRP 7 54.780 10.744 2.372 75 HD1 TRP 7 HD1 TRP 7 54.235 13.018 1.361 76 HE1 TRP 7 HE1 TRP 7 52.558 14.943 1.851 77 HE3 TRP 7 HE3 TRP 7 51.441 10.746 5.001 78 HZ2 TRP 7 HZ2 TRP 7 50.314 15.402 3.597 79 HZ3 TRP 7 HZ3 TRP 7 49.537 11.948 6.064 80 HH2 TRP 7 HH2 TRP 7 48.971 14.270 5.366 81 H LEU 8 HN LEU 8 53.402 7.997 0.311 82 HA LEU 8 HA LEU 8 53.402 10.037 -1.755 83 HB2 LEU 8 HB2 LEU 8 52.941 7.581 -3.088 84 HB3 LEU 8 HB1 LEU 8 54.518 8.334 -2.790 85 HG LEU 8 HG LEU 8 54.605 7.109 -0.572 86 HD11 LEU 8 HD11 LEU 8 52.114 6.732 -0.402 87 HD12 LEU 8 HD12 LEU 8 53.057 5.239 -0.224 88 HD13 LEU 8 HD13 LEU 8 52.234 5.595 -1.761 89 HD21 LEU 8 HD21 LEU 8 55.040 4.877 -1.650 90 HD22 LEU 8 HD22 LEU 8 55.804 6.241 -2.500 91 HD23 LEU 8 HD23 LEU 8 54.317 5.509 -3.146 92 H ARG 9 HN ARG 9 51.287 7.168 -1.922 93 HA ARG 9 HA ARG 9 48.901 8.969 -2.162 94 HB2 ARG 9 HB2 ARG 9 49.608 6.685 -4.056 95 HB3 ARG 9 HB1 ARG 9 48.119 7.651 -4.096 96 HG2 ARG 9 HG2 ARG 9 50.912 8.846 -4.391 97 HG3 ARG 9 HG1 ARG 9 49.908 8.351 -5.769 98 HD2 ARG 9 HD2 ARG 9 48.074 9.898 -4.708 99 HD3 ARG 9 HD1 ARG 9 49.424 10.593 -3.783 100 HE ARG 9 HE ARG 9 50.189 11.608 -5.775 101 HH11 ARG 9 HH11 ARG 9 50.777 10.022 -7.846 102 HH12 ARG 9 HH12 ARG 9 49.410 9.966 -8.909 103 HH21 ARG 9 HH21 ARG 9 47.179 11.146 -6.532 104 HH22 ARG 9 HH22 ARG 9 47.373 10.601 -8.164 105 H ARG 10 HN ARG 10 50.231 6.879 -0.241 106 HA ARG 10 HA ARG 10 48.781 4.513 -0.087 107 HB2 ARG 10 HB2 ARG 10 48.850 5.035 2.536 108 HB3 ARG 10 HB1 ARG 10 50.349 4.723 1.632 109 HG2 ARG 10 HG2 ARG 10 51.000 6.978 1.635 110 HG3 ARG 10 HG1 ARG 10 49.341 7.581 1.813 111 HD2 ARG 10 HD2 ARG 10 50.723 7.846 3.894 112 HD3 ARG 10 HD1 ARG 10 49.278 6.839 4.146 113 HE ARG 10 HE ARG 10 51.387 5.083 3.461 114 HH11 ARG 10 HH11 ARG 10 51.819 7.674 5.511 115 HH12 ARG 10 HH12 ARG 10 52.144 6.739 6.931 116 HH21 ARG 10 HH21 ARG 10 51.265 3.721 5.468 117 HH22 ARG 10 HH22 ARG 10 51.830 4.501 6.907 118 H ILE 11 HN ILE 11 47.788 6.943 2.271 119 HA ILE 11 HA ILE 11 44.975 6.179 1.875 120 HB ILE 11 HB ILE 11 45.857 6.577 4.168 121 HG12 ILE 11 HG12 ILE 11 44.122 8.099 4.991 122 HG13 ILE 11 HG11 ILE 11 43.902 8.790 3.372 123 HG21 ILE 11 HG21 ILE 11 47.530 8.322 3.419 124 HG22 ILE 11 HG22 ILE 11 46.609 8.767 4.875 125 HG23 ILE 11 HG23 ILE 11 46.183 9.479 3.300 126 HD11 ILE 11 HD1 ILE 11 42.235 6.925 4.225 127 HD12 ILE 11 HD2 ILE 11 43.549 5.805 3.800 128 HD13 ILE 11 HD3 ILE 11 42.830 6.852 2.551 129 H GLY 12 HN GLY 12 47.208 8.489 0.655 130 HA2 GLY 12 HA1 GLY 12 45.548 10.756 0.249 131 HA3 GLY 12 HA2 GLY 12 46.908 10.274 -0.788 132 H LYS 13 HN LYS 13 45.890 7.748 -1.588 133 HA LYS 13 HA LYS 13 44.448 8.419 -3.907 134 HB2 LYS 13 HB2 LYS 13 45.603 6.264 -3.538 135 HB3 LYS 13 HB1 LYS 13 44.379 5.820 -2.323 136 HG2 LYS 13 HG2 LYS 13 42.636 5.722 -3.962 137 HG3 LYS 13 HG1 LYS 13 43.636 6.544 -5.184 138 HD2 LYS 13 HD2 LYS 13 43.462 4.059 -5.550 139 HD3 LYS 13 HD1 LYS 13 45.134 4.623 -5.329 140 HE2 LYS 13 HE2 LYS 13 45.252 3.773 -3.110 141 HE3 LYS 13 HE1 LYS 13 43.483 3.610 -2.982 142 HZ1 LYS 13 HZ1 LYS 13 45.278 2.028 -4.758 143 HZ2 LYS 13 HZ2 LYS 13 43.585 1.900 -4.715 144 HZ3 LYS 13 HZ3 LYS 13 44.507 1.470 -3.355 145 H GLY 14 HN GLY 14 43.408 8.426 -0.665 146 HA2 GLY 14 HA1 GLY 14 40.521 8.120 -1.429 147 HA3 GLY 14 HA2 GLY 14 41.195 7.991 0.206 148 H VAL 15 HN VAL 15 42.846 10.333 0.184 149 HA VAL 15 HA VAL 15 40.664 12.420 0.243 150 HB VAL 15 HB VAL 15 41.579 12.029 2.448 151 HG11 VAL 15 HG11 VAL 15 43.695 10.948 1.691 152 HG12 VAL 15 HG12 VAL 15 43.968 12.183 2.942 153 HG13 VAL 15 HG13 VAL 15 44.328 12.549 1.240 154 HG21 VAL 15 HG21 VAL 15 41.229 14.432 1.597 155 HG22 VAL 15 HG22 VAL 15 42.998 14.517 1.411 156 HG23 VAL 15 HG23 VAL 15 42.284 14.246 3.018 157 H LYS 16 HN LYS 16 44.077 11.817 -0.690 158 HA LYS 16 HA LYS 16 44.649 14.423 -1.641 159 HB2 LYS 16 HB2 LYS 16 46.258 12.462 -1.406 160 HB3 LYS 16 HB1 LYS 16 45.596 11.838 -2.930 161 HG2 LYS 16 HG2 LYS 16 47.454 13.062 -3.695 162 HG3 LYS 16 HG1 LYS 16 46.150 14.253 -3.868 163 HD2 LYS 16 HD2 LYS 16 46.789 15.337 -1.773 164 HD3 LYS 16 HD1 LYS 16 47.974 14.056 -1.423 165 HE2 LYS 16 HE2 LYS 16 48.110 15.770 -3.934 166 HE3 LYS 16 HE1 LYS 16 48.919 16.224 -2.414 167 HZ1 LYS 16 HZ1 LYS 16 50.038 14.041 -2.462 168 HZ2 LYS 16 HZ2 LYS 16 50.439 15.012 -3.797 169 HZ3 LYS 16 HZ3 LYS 16 49.344 13.726 -3.978 170 H ILE 17 HN ILE 17 43.415 11.589 -3.476 171 HA ILE 17 HA ILE 17 42.900 13.235 -5.838 172 HB ILE 17 HB ILE 17 43.436 10.682 -5.734 173 HG12 ILE 17 HG12 ILE 17 41.071 11.605 -7.436 174 HG13 ILE 17 HG11 ILE 17 42.778 11.935 -7.803 175 HG21 ILE 17 HG21 ILE 17 41.648 9.149 -5.408 176 HG22 ILE 17 HG22 ILE 17 40.419 10.437 -5.458 177 HG23 ILE 17 HG23 ILE 17 41.510 10.299 -4.059 178 HD11 ILE 17 HD1 ILE 17 42.244 10.007 -9.088 179 HD12 ILE 17 HD2 ILE 17 41.342 9.259 -7.750 180 HD13 ILE 17 HD3 ILE 17 43.119 9.370 -7.676 181 H ILE 18 HN ILE 18 41.588 13.629 -3.028 182 HA ILE 18 HA ILE 18 39.554 14.419 -2.264 183 HB ILE 18 HB ILE 18 38.674 14.650 -5.174 184 HG12 ILE 18 HG12 ILE 18 40.449 16.510 -3.525 185 HG13 ILE 18 HG11 ILE 18 40.925 15.616 -4.986 186 HG21 ILE 18 HG21 ILE 18 37.258 16.405 -4.366 187 HG22 ILE 18 HG22 ILE 18 38.105 16.473 -2.801 188 HG23 ILE 18 HG23 ILE 18 37.075 15.078 -3.198 189 HD11 ILE 18 HD1 ILE 18 40.439 17.800 -5.780 190 HD12 ILE 18 HD2 ILE 18 39.002 17.953 -4.742 191 HD13 ILE 18 HD3 ILE 18 38.968 16.872 -6.157 192 H GLY 19 HN GLY 19 38.376 12.951 -1.230 193 HA2 GLY 19 HA1 GLY 19 36.284 11.523 -2.650 194 HA3 GLY 19 HA2 GLY 19 37.592 10.441 -2.134 195 H GLY 20 HN GLY 20 37.632 9.700 -0.098 196 HA2 GLY 20 HA1 GLY 20 35.346 10.186 1.588 197 HA3 GLY 20 HA2 GLY 20 36.801 9.264 2.020 198 H ALA 21 HN ALA 21 36.765 10.132 4.136 199 HA ALA 21 HA ALA 21 37.249 11.715 5.767 200 HB1 ALA 21 HB1 ALA 21 39.201 13.148 5.292 201 HB2 ALA 21 HB2 ALA 21 39.072 12.744 3.563 202 HB3 ALA 21 HB3 ALA 21 39.470 11.476 4.748 203 H ALA 22 HN ALA 22 35.253 12.325 3.451 204 HA ALA 22 HA ALA 22 34.470 14.930 4.495 205 HB1 ALA 22 HB1 ALA 22 34.546 16.049 2.228 206 HB2 ALA 22 HB2 ALA 22 35.577 14.706 1.676 207 HB3 ALA 22 HB3 ALA 22 36.136 15.779 2.982 208 H LEU 23 HN LEU 23 34.202 12.921 1.523 209 HA LEU 23 HA LEU 23 31.286 13.328 1.445 210 HB2 LEU 23 HB2 LEU 23 32.978 11.384 -0.170 211 HB3 LEU 23 HB1 LEU 23 31.354 11.992 -0.566 212 HG LEU 23 HG LEU 23 33.856 13.730 -0.329 213 HD11 LEU 23 HD11 LEU 23 32.348 12.744 -2.792 214 HD12 LEU 23 HD12 LEU 23 33.944 12.165 -2.258 215 HD13 LEU 23 HD13 LEU 23 33.742 13.851 -2.793 216 HD21 LEU 23 HD21 LEU 23 30.948 14.268 -1.064 217 HD22 LEU 23 HD22 LEU 23 32.256 15.333 -1.629 218 HD23 LEU 23 HD23 LEU 23 31.974 15.124 0.111 219 H ASP 24 HN ASP 24 32.675 11.955 3.771 220 HA ASP 24 HA ASP 24 30.671 9.887 4.127 221 HB2 ASP 24 HB2 ASP 24 32.279 8.694 2.623 222 HB3 ASP 24 HB1 ASP 24 33.553 8.953 3.839 223 H HIS 25 HN HIS 25 32.340 12.297 5.281 224 HA HIS 25 HA HIS 25 33.628 11.347 7.649 225 HB2 HIS 25 HB2 HIS 25 33.854 13.653 6.719 226 HB3 HIS 25 HB1 HIS 25 32.186 13.995 7.235 227 HD1 HIS 25 HD1 HIS 25 35.694 13.536 8.517 228 HD2 HIS 25 HD2 HIS 25 31.838 14.045 10.113 229 HE1 HIS 25 HE1 HIS 25 35.966 14.141 10.984 230 H LEU 26 HN LEU 26 30.375 12.847 7.294 231 HA LEU 26 HA LEU 26 29.465 12.445 9.899 232 HB2 LEU 26 HB2 LEU 26 27.253 12.694 9.059 233 HB3 LEU 26 HB1 LEU 26 28.291 13.625 7.961 234 HG LEU 26 HG LEU 26 27.092 10.861 7.475 235 HD11 LEU 26 HD11 LEU 26 26.858 13.479 5.933 236 HD12 LEU 26 HD12 LEU 26 25.661 12.901 7.118 237 HD13 LEU 26 HD13 LEU 26 25.961 11.973 5.630 238 HD21 LEU 26 HD21 LEU 26 29.304 10.733 6.543 239 HD22 LEU 26 HD22 LEU 26 29.233 12.413 5.959 240 HD23 LEU 26 HD23 LEU 26 28.241 11.156 5.183 Start of MODEL 79 1 H1 GLY 1 HT1 GLY 1 53.274 3.086 4.021 2 H2 GLY 1 HT2 GLY 1 53.383 1.608 3.188 3 H3 GLY 1 HT3 GLY 1 52.575 2.928 2.486 4 HA2 GLY 1 HA1 GLY 1 54.421 3.371 1.441 5 HA3 GLY 1 HA2 GLY 1 54.998 3.941 3.020 6 H ARG 2 HN ARG 2 56.393 2.653 0.705 7 HA ARG 2 HA ARG 2 58.109 0.933 2.277 8 HB2 ARG 2 HB2 ARG 2 56.128 -0.595 1.832 9 HB3 ARG 2 HB1 ARG 2 56.521 -0.478 0.099 10 HG2 ARG 2 HG2 ARG 2 58.831 -1.303 0.603 11 HG3 ARG 2 HG1 ARG 2 58.357 -1.509 2.306 12 HD2 ARG 2 HD2 ARG 2 56.634 -3.124 1.681 13 HD3 ARG 2 HD1 ARG 2 56.957 -2.849 -0.048 14 HE ARG 2 HE ARG 2 58.670 -4.443 0.186 15 HH11 ARG 2 HH11 ARG 2 60.375 -2.547 1.786 16 HH12 ARG 2 HH12 ARG 2 60.661 -3.458 3.230 17 HH21 ARG 2 HH21 ARG 2 58.092 -5.710 2.635 18 HH22 ARG 2 HH22 ARG 2 59.369 -5.249 3.711 19 H ARG 3 HN ARG 3 56.921 1.401 -1.085 20 HA ARG 3 HA ARG 3 59.618 1.171 -2.184 21 HB2 ARG 3 HB2 ARG 3 58.527 1.833 -4.308 22 HB3 ARG 3 HB1 ARG 3 57.645 0.517 -3.495 23 HG2 ARG 3 HG2 ARG 3 56.106 2.239 -2.494 24 HG3 ARG 3 HG1 ARG 3 56.932 3.484 -3.462 25 HD2 ARG 3 HD2 ARG 3 54.913 2.741 -4.638 26 HD3 ARG 3 HD1 ARG 3 56.355 2.208 -5.535 27 HE ARG 3 HE ARG 3 55.598 0.123 -3.740 28 HH11 ARG 3 HH11 ARG 3 55.541 1.039 -6.941 29 HH12 ARG 3 HH12 ARG 3 54.203 0.040 -7.401 30 HH21 ARG 3 HH21 ARG 3 53.408 -0.849 -4.144 31 HH22 ARG 3 HH22 ARG 3 52.994 -1.028 -5.817 32 H LYS 4 HN LYS 4 57.513 3.759 -1.066 33 HA LYS 4 HA LYS 4 59.768 5.662 -1.264 34 HB2 LYS 4 HB2 LYS 4 58.564 5.705 -3.516 35 HB3 LYS 4 HB1 LYS 4 57.145 6.337 -2.648 36 HG2 LYS 4 HG2 LYS 4 58.724 8.151 -1.708 37 HG3 LYS 4 HG1 LYS 4 59.894 7.613 -2.934 38 HD2 LYS 4 HD2 LYS 4 57.070 8.645 -3.455 39 HD3 LYS 4 HD1 LYS 4 58.589 9.504 -3.803 40 HE2 LYS 4 HE2 LYS 4 57.473 7.019 -5.145 41 HE3 LYS 4 HE1 LYS 4 57.959 8.558 -5.890 42 HZ1 LYS 4 HZ1 LYS 4 60.266 8.024 -5.063 43 HZ2 LYS 4 HZ2 LYS 4 59.685 7.044 -6.324 44 HZ3 LYS 4 HZ3 LYS 4 59.708 6.458 -4.729 45 H ARG 5 HN ARG 5 59.025 4.885 1.070 46 HA ARG 5 HA ARG 5 57.930 5.416 3.066 47 HB2 ARG 5 HB2 ARG 5 58.184 8.208 1.878 48 HB3 ARG 5 HB1 ARG 5 57.978 7.812 3.601 49 HG2 ARG 5 HG2 ARG 5 60.104 6.463 3.485 50 HG3 ARG 5 HG1 ARG 5 60.333 7.054 1.821 51 HD2 ARG 5 HD2 ARG 5 60.011 8.869 4.250 52 HD3 ARG 5 HD1 ARG 5 61.581 8.403 3.549 53 HE ARG 5 HE ARG 5 59.946 9.470 1.464 54 HH11 ARG 5 HH11 ARG 5 60.111 10.928 4.416 55 HH12 ARG 5 HH12 ARG 5 61.007 12.320 3.908 56 HH21 ARG 5 HH21 ARG 5 61.730 11.038 0.769 57 HH22 ARG 5 HH22 ARG 5 61.924 12.382 1.844 58 H LYS 6 HN LYS 6 56.200 7.397 3.848 59 HA LYS 6 HA LYS 6 53.684 6.421 2.642 60 HB2 LYS 6 HB2 LYS 6 54.121 8.460 4.861 61 HB3 LYS 6 HB1 LYS 6 52.608 7.604 4.471 62 HG2 LYS 6 HG2 LYS 6 53.616 5.454 5.050 63 HG3 LYS 6 HG1 LYS 6 55.198 6.227 5.311 64 HD2 LYS 6 HD2 LYS 6 54.078 7.666 7.095 65 HD3 LYS 6 HD1 LYS 6 52.653 6.612 6.936 66 HE2 LYS 6 HE2 LYS 6 55.465 5.611 7.571 67 HE3 LYS 6 HE1 LYS 6 54.207 5.917 8.793 68 HZ1 LYS 6 HZ1 LYS 6 53.281 3.972 8.331 69 HZ2 LYS 6 HZ2 LYS 6 54.574 3.618 7.287 70 HZ3 LYS 6 HZ3 LYS 6 53.163 4.344 6.679 71 H TRP 7 HN TRP 7 54.425 7.453 0.528 72 HA TRP 7 HA TRP 7 53.100 10.122 0.335 73 HB2 TRP 7 HB2 TRP 7 55.552 10.548 0.637 74 HB3 TRP 7 HB1 TRP 7 55.868 9.561 -0.810 75 HD1 TRP 7 HD1 TRP 7 55.501 10.653 -3.121 76 HE1 TRP 7 HE1 TRP 7 54.795 13.011 -3.956 77 HE3 TRP 7 HE3 TRP 7 53.949 12.654 1.328 78 HZ2 TRP 7 HZ2 TRP 7 53.705 15.422 -2.818 79 HZ3 TRP 7 HZ3 TRP 7 53.080 14.986 1.430 80 HH2 TRP 7 HH2 TRP 7 52.957 16.370 -0.638 81 H LEU 8 HN LEU 8 53.756 6.994 -0.756 82 HA LEU 8 HA LEU 8 53.357 7.411 -3.591 83 HB2 LEU 8 HB2 LEU 8 53.341 5.049 -3.788 84 HB3 LEU 8 HB1 LEU 8 54.463 5.399 -2.459 85 HG LEU 8 HG LEU 8 51.568 4.451 -2.204 86 HD11 LEU 8 HD11 LEU 8 54.215 3.178 -1.387 87 HD12 LEU 8 HD12 LEU 8 53.277 2.740 -2.836 88 HD13 LEU 8 HD13 LEU 8 52.595 2.460 -1.214 89 HD21 LEU 8 HD21 LEU 8 52.190 4.349 0.273 90 HD22 LEU 8 HD22 LEU 8 51.973 5.986 -0.381 91 HD23 LEU 8 HD23 LEU 8 53.612 5.339 -0.123 92 H ARG 9 HN ARG 9 51.301 8.391 -1.425 93 HA ARG 9 HA ARG 9 49.037 8.784 -1.434 94 HB2 ARG 9 HB2 ARG 9 48.912 7.482 -4.177 95 HB3 ARG 9 HB1 ARG 9 47.799 8.673 -3.478 96 HG2 ARG 9 HG2 ARG 9 50.746 9.197 -4.079 97 HG3 ARG 9 HG1 ARG 9 49.392 9.693 -5.119 98 HD2 ARG 9 HD2 ARG 9 48.463 10.883 -2.989 99 HD3 ARG 9 HD1 ARG 9 50.111 10.687 -2.343 100 HE ARG 9 HE ARG 9 49.300 12.564 -4.412 101 HH11 ARG 9 HH11 ARG 9 51.253 11.259 -6.036 102 HH12 ARG 9 HH12 ARG 9 52.772 11.894 -5.499 103 HH21 ARG 9 HH21 ARG 9 51.512 13.091 -2.498 104 HH22 ARG 9 HH22 ARG 9 52.918 12.933 -3.498 105 H ARG 10 HN ARG 10 49.929 6.477 -0.122 106 HA ARG 10 HA ARG 10 48.563 4.091 -0.821 107 HB2 ARG 10 HB2 ARG 10 48.464 3.875 1.852 108 HB3 ARG 10 HB1 ARG 10 50.011 3.772 0.985 109 HG2 ARG 10 HG2 ARG 10 50.631 5.990 1.551 110 HG3 ARG 10 HG1 ARG 10 48.970 6.455 1.971 111 HD2 ARG 10 HD2 ARG 10 50.706 4.467 3.503 112 HD3 ARG 10 HD1 ARG 10 50.340 6.135 4.007 113 HE ARG 10 HE ARG 10 47.866 4.799 3.577 114 HH11 ARG 10 HH11 ARG 10 48.906 6.221 6.104 115 HH12 ARG 10 HH12 ARG 10 48.810 4.930 7.255 116 HH21 ARG 10 HH21 ARG 10 48.484 2.454 4.851 117 HH22 ARG 10 HH22 ARG 10 48.573 2.798 6.546 118 H ILE 11 HN ILE 11 47.411 5.652 2.108 119 HA ILE 11 HA ILE 11 44.639 5.172 1.291 120 HB ILE 11 HB ILE 11 45.302 4.851 3.654 121 HG12 ILE 11 HG12 ILE 11 43.552 6.142 4.756 122 HG13 ILE 11 HG11 ILE 11 43.534 7.336 3.443 123 HG21 ILE 11 HG21 ILE 11 45.855 7.849 3.668 124 HG22 ILE 11 HG22 ILE 11 47.113 6.591 3.624 125 HG23 ILE 11 HG23 ILE 11 46.039 6.725 5.035 126 HD11 ILE 11 HD1 ILE 11 42.988 4.407 2.850 127 HD12 ILE 11 HD2 ILE 11 42.479 5.848 1.937 128 HD13 ILE 11 HD3 ILE 11 41.695 5.453 3.483 129 H GLY 12 HN GLY 12 46.967 7.711 0.980 130 HA2 GLY 12 HA1 GLY 12 45.271 9.997 1.124 131 HA3 GLY 12 HA2 GLY 12 46.752 9.864 0.150 132 H LYS 13 HN LYS 13 45.966 7.711 -1.494 133 HA LYS 13 HA LYS 13 44.710 9.045 -3.632 134 HB2 LYS 13 HB2 LYS 13 45.965 7.004 -3.957 135 HB3 LYS 13 HB1 LYS 13 44.861 6.094 -2.909 136 HG2 LYS 13 HG2 LYS 13 43.578 7.485 -5.254 137 HG3 LYS 13 HG1 LYS 13 44.664 6.145 -5.665 138 HD2 LYS 13 HD2 LYS 13 42.553 5.763 -3.509 139 HD3 LYS 13 HD1 LYS 13 42.112 5.637 -5.225 140 HE2 LYS 13 HE2 LYS 13 44.374 4.054 -3.920 141 HE3 LYS 13 HE1 LYS 13 42.727 3.433 -4.167 142 HZ1 LYS 13 HZ1 LYS 13 43.431 2.826 -6.173 143 HZ2 LYS 13 HZ2 LYS 13 44.867 3.725 -6.049 144 HZ3 LYS 13 HZ3 LYS 13 43.441 4.468 -6.597 145 H GLY 14 HN GLY 14 43.377 7.918 -0.695 146 HA2 GLY 14 HA1 GLY 14 40.609 7.749 -1.830 147 HA3 GLY 14 HA2 GLY 14 41.134 7.178 -0.237 148 H VAL 15 HN VAL 15 42.674 9.665 0.318 149 HA VAL 15 HA VAL 15 40.339 11.540 0.745 150 HB VAL 15 HB VAL 15 41.460 12.170 2.916 151 HG11 VAL 15 HG11 VAL 15 40.696 10.113 4.121 152 HG12 VAL 15 HG12 VAL 15 40.589 9.268 2.557 153 HG13 VAL 15 HG13 VAL 15 39.530 10.658 2.891 154 HG21 VAL 15 HG21 VAL 15 43.722 11.390 2.539 155 HG22 VAL 15 HG22 VAL 15 43.159 9.735 2.204 156 HG23 VAL 15 HG23 VAL 15 43.038 10.400 3.848 157 H LYS 16 HN LYS 16 43.894 11.210 0.459 158 HA LYS 16 HA LYS 16 44.473 13.996 0.441 159 HB2 LYS 16 HB2 LYS 16 46.155 12.145 0.638 160 HB3 LYS 16 HB1 LYS 16 45.928 11.809 -1.095 161 HG2 LYS 16 HG2 LYS 16 46.751 13.986 -1.716 162 HG3 LYS 16 HG1 LYS 16 46.712 14.554 -0.030 163 HD2 LYS 16 HD2 LYS 16 48.452 12.910 0.579 164 HD3 LYS 16 HD1 LYS 16 48.484 12.312 -1.097 165 HE2 LYS 16 HE2 LYS 16 50.319 13.878 -0.836 166 HE3 LYS 16 HE1 LYS 16 49.073 14.662 -1.838 167 HZ1 LYS 16 HZ1 LYS 16 50.162 15.620 0.508 168 HZ2 LYS 16 HZ2 LYS 16 48.599 15.108 0.934 169 HZ3 LYS 16 HZ3 LYS 16 48.815 16.239 -0.317 170 H ILE 17 HN ILE 17 43.902 11.744 -2.316 171 HA ILE 17 HA ILE 17 44.010 13.938 -4.239 172 HB ILE 17 HB ILE 17 44.530 11.406 -4.630 173 HG12 ILE 17 HG12 ILE 17 43.335 11.629 -7.037 174 HG13 ILE 17 HG11 ILE 17 43.034 13.289 -6.482 175 HG21 ILE 17 HG21 ILE 17 41.552 11.284 -5.228 176 HG22 ILE 17 HG22 ILE 17 42.240 10.733 -3.681 177 HG23 ILE 17 HG23 ILE 17 42.733 9.954 -5.204 178 HD11 ILE 17 HD1 ILE 17 45.138 13.220 -7.721 179 HD12 ILE 17 HD2 ILE 17 45.741 11.901 -6.691 180 HD13 ILE 17 HD3 ILE 17 45.494 13.524 -6.007 181 H ILE 18 HN ILE 18 41.979 13.798 -1.894 182 HA ILE 18 HA ILE 18 39.788 14.468 -1.558 183 HB ILE 18 HB ILE 18 39.827 15.437 -4.447 184 HG12 ILE 18 HG12 ILE 18 41.831 16.346 -3.523 185 HG13 ILE 18 HG11 ILE 18 40.631 17.645 -3.388 186 HG21 ILE 18 HG21 ILE 18 37.640 15.648 -3.564 187 HG22 ILE 18 HG22 ILE 18 38.348 17.260 -3.344 188 HG23 ILE 18 HG23 ILE 18 38.221 16.148 -1.963 189 HD11 ILE 18 HD1 ILE 18 40.215 16.795 -0.983 190 HD12 ILE 18 HD2 ILE 18 41.771 17.592 -1.286 191 HD13 ILE 18 HD3 ILE 18 41.686 15.819 -1.192 192 H GLY 19 HN GLY 19 39.019 12.326 -1.366 193 HA2 GLY 19 HA1 GLY 19 38.101 10.871 -3.714 194 HA3 GLY 19 HA2 GLY 19 37.813 10.448 -2.015 195 H GLY 20 HN GLY 20 36.850 12.836 -4.509 196 HA2 GLY 20 HA1 GLY 20 34.595 13.930 -3.385 197 HA3 GLY 20 HA2 GLY 20 34.706 13.515 -5.106 198 H ALA 21 HN ALA 21 34.899 10.652 -4.705 199 HA ALA 21 HA ALA 21 32.193 9.930 -4.871 200 HB1 ALA 21 HB1 ALA 21 32.966 7.620 -4.407 201 HB2 ALA 21 HB2 ALA 21 34.540 8.271 -3.888 202 HB3 ALA 21 HB3 ALA 21 34.010 8.462 -5.576 203 H ALA 22 HN ALA 22 34.354 9.742 -2.007 204 HA ALA 22 HA ALA 22 32.127 8.922 -0.275 205 HB1 ALA 22 HB1 ALA 22 33.772 8.948 1.492 206 HB2 ALA 22 HB2 ALA 22 34.906 9.882 0.485 207 HB3 ALA 22 HB3 ALA 22 34.503 8.203 0.051 208 H LEU 23 HN LEU 23 34.068 11.891 -0.808 209 HA LEU 23 HA LEU 23 32.646 13.370 1.265 210 HB2 LEU 23 HB2 LEU 23 34.210 14.562 -1.047 211 HB3 LEU 23 HB1 LEU 23 33.945 15.240 0.576 212 HG LEU 23 HG LEU 23 35.587 12.764 -0.115 213 HD11 LEU 23 HD11 LEU 23 36.576 15.050 -0.596 214 HD12 LEU 23 HD12 LEU 23 37.487 14.089 0.592 215 HD13 LEU 23 HD13 LEU 23 36.427 15.411 1.139 216 HD21 LEU 23 HD21 LEU 23 36.186 12.978 2.405 217 HD22 LEU 23 HD22 LEU 23 34.596 12.291 2.005 218 HD23 LEU 23 HD23 LEU 23 34.724 13.985 2.540 219 H ASP 24 HN ASP 24 31.045 12.038 -0.925 220 HA ASP 24 HA ASP 24 29.120 14.160 -1.236 221 HB2 ASP 24 HB2 ASP 24 30.881 14.805 -2.973 222 HB3 ASP 24 HB1 ASP 24 30.450 13.309 -3.835 223 H HIS 25 HN HIS 25 30.202 10.991 -1.314 224 HA HIS 25 HA HIS 25 29.139 8.963 -1.683 225 HB2 HIS 25 HB2 HIS 25 26.575 10.575 -1.416 226 HB3 HIS 25 HB1 HIS 25 26.794 8.835 -1.114 227 HD1 HIS 25 HD1 HIS 25 28.310 12.150 0.141 228 HD2 HIS 25 HD2 HIS 25 27.247 8.333 1.552 229 HE1 HIS 25 HE1 HIS 25 28.811 12.098 2.646 230 H LEU 26 HN LEU 26 30.006 9.154 -3.911 231 HA LEU 26 HA LEU 26 27.858 8.635 -5.817 232 HB2 LEU 26 HB2 LEU 26 28.024 11.186 -5.741 233 HB3 LEU 26 HB1 LEU 26 29.667 11.009 -6.393 234 HG LEU 26 HG LEU 26 28.493 9.532 -8.258 235 HD11 LEU 26 HD11 LEU 26 26.179 10.418 -8.768 236 HD12 LEU 26 HD12 LEU 26 26.167 11.182 -7.163 237 HD13 LEU 26 HD13 LEU 26 26.252 9.411 -7.306 238 HD21 LEU 26 HD21 LEU 26 29.597 11.688 -8.696 239 HD22 LEU 26 HD22 LEU 26 28.157 12.562 -8.122 240 HD23 LEU 26 HD23 LEU 26 28.072 11.584 -9.607 Start of MODEL 80 1 H1 GLY 1 HT1 GLY 1 59.938 0.118 -6.504 2 H2 GLY 1 HT2 GLY 1 60.995 -0.333 -5.252 3 H3 GLY 1 HT3 GLY 1 60.718 1.310 -5.586 4 HA2 GLY 1 HA1 GLY 1 58.242 0.291 -5.174 5 HA3 GLY 1 HA2 GLY 1 59.270 -0.493 -3.957 6 H ARG 2 HN ARG 2 60.947 1.147 -2.970 7 HA ARG 2 HA ARG 2 59.327 3.143 -1.616 8 HB2 ARG 2 HB2 ARG 2 61.642 3.799 -0.651 9 HB3 ARG 2 HB1 ARG 2 61.039 2.163 -0.303 10 HG2 ARG 2 HG2 ARG 2 62.449 1.176 -1.974 11 HG3 ARG 2 HG1 ARG 2 62.849 2.761 -2.677 12 HD2 ARG 2 HD2 ARG 2 64.179 3.375 -0.784 13 HD3 ARG 2 HD1 ARG 2 63.540 2.034 0.198 14 HE ARG 2 HE ARG 2 64.885 1.069 -2.191 15 HH11 ARG 2 HH11 ARG 2 66.590 3.109 -0.494 16 HH12 ARG 2 HH12 ARG 2 67.546 1.986 0.414 17 HH21 ARG 2 HH21 ARG 2 65.562 -0.746 -0.377 18 HH22 ARG 2 HH22 ARG 2 66.963 -0.197 0.480 19 H ARG 3 HN ARG 3 58.642 4.196 -3.685 20 HA ARG 3 HA ARG 3 60.536 5.741 -5.212 21 HB2 ARG 3 HB2 ARG 3 58.200 5.052 -5.924 22 HB3 ARG 3 HB1 ARG 3 57.575 6.317 -4.839 23 HG2 ARG 3 HG2 ARG 3 58.859 8.029 -6.063 24 HG3 ARG 3 HG1 ARG 3 59.540 6.775 -7.127 25 HD2 ARG 3 HD2 ARG 3 56.603 7.552 -6.870 26 HD3 ARG 3 HD1 ARG 3 57.663 7.839 -8.271 27 HE ARG 3 HE ARG 3 56.291 5.362 -7.676 28 HH11 ARG 3 HH11 ARG 3 57.337 3.379 -8.332 29 HH12 ARG 3 HH12 ARG 3 58.530 3.488 -9.583 30 HH21 ARG 3 HH21 ARG 3 58.647 6.953 -9.539 31 HH22 ARG 3 HH22 ARG 3 59.271 5.511 -10.266 32 H LYS 4 HN LYS 4 58.430 6.472 -2.422 33 HA LYS 4 HA LYS 4 60.208 8.666 -1.637 34 HB2 LYS 4 HB2 LYS 4 58.404 10.401 -1.674 35 HB3 LYS 4 HB1 LYS 4 58.918 9.884 -3.296 36 HG2 LYS 4 HG2 LYS 4 56.959 8.203 -3.210 37 HG3 LYS 4 HG1 LYS 4 56.385 9.109 -1.792 38 HD2 LYS 4 HD2 LYS 4 56.871 10.234 -4.586 39 HD3 LYS 4 HD1 LYS 4 55.289 9.954 -3.821 40 HE2 LYS 4 HE2 LYS 4 57.407 12.005 -3.090 41 HE3 LYS 4 HE1 LYS 4 55.694 12.271 -3.489 42 HZ1 LYS 4 HZ1 LYS 4 55.219 10.877 -1.435 43 HZ2 LYS 4 HZ2 LYS 4 55.816 12.447 -1.178 44 HZ3 LYS 4 HZ3 LYS 4 56.847 11.106 -1.019 45 H ARG 5 HN ARG 5 59.705 6.373 -0.297 46 HA ARG 5 HA ARG 5 58.943 5.560 1.741 47 HB2 ARG 5 HB2 ARG 5 58.477 8.501 2.375 48 HB3 ARG 5 HB1 ARG 5 58.681 7.176 3.545 49 HG2 ARG 5 HG2 ARG 5 60.964 6.752 2.645 50 HG3 ARG 5 HG1 ARG 5 60.761 8.120 1.523 51 HD2 ARG 5 HD2 ARG 5 60.293 9.571 3.586 52 HD3 ARG 5 HD1 ARG 5 60.865 8.196 4.563 53 HE ARG 5 HE ARG 5 63.059 8.782 3.929 54 HH11 ARG 5 HH11 ARG 5 64.202 8.800 1.737 55 HH12 ARG 5 HH12 ARG 5 63.855 10.206 0.788 56 HH21 ARG 5 HH21 ARG 5 61.114 11.143 2.694 57 HH22 ARG 5 HH22 ARG 5 62.106 11.532 1.329 58 H LYS 6 HN LYS 6 56.974 6.437 3.511 59 HA LYS 6 HA LYS 6 54.610 5.499 2.097 60 HB2 LYS 6 HB2 LYS 6 54.927 6.635 4.902 61 HB3 LYS 6 HB1 LYS 6 53.509 5.750 4.288 62 HG2 LYS 6 HG2 LYS 6 54.785 3.730 3.982 63 HG3 LYS 6 HG1 LYS 6 56.323 4.579 4.261 64 HD2 LYS 6 HD2 LYS 6 55.472 5.118 6.608 65 HD3 LYS 6 HD1 LYS 6 54.129 3.993 6.290 66 HE2 LYS 6 HE2 LYS 6 55.775 2.190 5.802 67 HE3 LYS 6 HE1 LYS 6 57.103 3.319 6.168 68 HZ1 LYS 6 HZ1 LYS 6 55.391 1.865 7.958 69 HZ2 LYS 6 HZ2 LYS 6 55.439 3.523 8.323 70 HZ3 LYS 6 HZ3 LYS 6 56.878 2.622 8.259 71 H TRP 7 HN TRP 7 54.492 7.171 0.444 72 HA TRP 7 HA TRP 7 52.615 9.268 1.262 73 HB2 TRP 7 HB2 TRP 7 55.436 9.963 0.359 74 HB3 TRP 7 HB1 TRP 7 54.075 11.095 0.173 75 HD1 TRP 7 HD1 TRP 7 56.458 9.672 2.719 76 HE1 TRP 7 HE1 TRP 7 56.055 10.758 5.048 77 HE3 TRP 7 HE3 TRP 7 52.080 12.128 1.715 78 HZ2 TRP 7 HZ2 TRP 7 54.085 12.462 6.274 79 HZ3 TRP 7 HZ3 TRP 7 50.957 13.479 3.480 80 HH2 TRP 7 HH2 TRP 7 51.955 13.648 5.757 81 H LEU 8 HN LEU 8 53.724 6.975 -0.809 82 HA LEU 8 HA LEU 8 53.489 8.038 -3.404 83 HB2 LEU 8 HB2 LEU 8 52.446 5.662 -3.916 84 HB3 LEU 8 HB1 LEU 8 54.133 5.787 -3.379 85 HG LEU 8 HG LEU 8 52.136 5.574 -1.138 86 HD11 LEU 8 HD11 LEU 8 51.050 4.023 -2.665 87 HD12 LEU 8 HD12 LEU 8 51.933 3.084 -1.437 88 HD13 LEU 8 HD13 LEU 8 52.608 3.266 -3.073 89 HD21 LEU 8 HD21 LEU 8 54.586 3.854 -1.702 90 HD22 LEU 8 HD22 LEU 8 53.840 4.243 -0.133 91 HD23 LEU 8 HD23 LEU 8 54.725 5.497 -1.034 92 H ARG 9 HN ARG 9 50.823 5.972 -2.299 93 HA ARG 9 HA ARG 9 48.855 8.129 -2.440 94 HB2 ARG 9 HB2 ARG 9 49.500 7.428 -4.896 95 HB3 ARG 9 HB1 ARG 9 48.551 5.969 -4.552 96 HG2 ARG 9 HG2 ARG 9 46.883 7.357 -5.438 97 HG3 ARG 9 HG1 ARG 9 46.719 7.728 -3.707 98 HD2 ARG 9 HD2 ARG 9 46.750 9.793 -5.093 99 HD3 ARG 9 HD1 ARG 9 48.143 9.735 -3.991 100 HE ARG 9 HE ARG 9 49.481 9.805 -5.922 101 HH11 ARG 9 HH11 ARG 9 49.917 7.823 -7.432 102 HH12 ARG 9 HH12 ARG 9 48.764 7.721 -8.720 103 HH21 ARG 9 HH21 ARG 9 46.496 9.872 -7.219 104 HH22 ARG 9 HH22 ARG 9 46.827 8.880 -8.600 105 H ARG 10 HN ARG 10 49.875 5.859 -0.738 106 HA ARG 10 HA ARG 10 48.088 3.704 -0.599 107 HB2 ARG 10 HB2 ARG 10 48.497 4.082 2.041 108 HB3 ARG 10 HB1 ARG 10 49.797 3.512 0.970 109 HG2 ARG 10 HG2 ARG 10 50.805 5.659 0.830 110 HG3 ARG 10 HG1 ARG 10 49.361 6.485 1.453 111 HD2 ARG 10 HD2 ARG 10 49.702 5.301 3.655 112 HD3 ARG 10 HD1 ARG 10 51.220 4.633 3.009 113 HE ARG 10 HE ARG 10 52.213 6.768 3.291 114 HH11 ARG 10 HH11 ARG 10 52.170 8.831 4.236 115 HH12 ARG 10 HH12 ARG 10 50.652 9.643 4.425 116 HH21 ARG 10 HH21 ARG 10 48.777 6.992 3.211 117 HH22 ARG 10 HH22 ARG 10 48.733 8.603 3.846 118 H ILE 11 HN ILE 11 47.725 6.094 1.986 119 HA ILE 11 HA ILE 11 44.812 5.787 1.852 120 HB ILE 11 HB ILE 11 46.776 7.217 3.665 121 HG12 ILE 11 HG12 ILE 11 45.918 4.755 3.897 122 HG13 ILE 11 HG11 ILE 11 45.955 5.778 5.347 123 HG21 ILE 11 HG21 ILE 11 44.734 8.097 4.971 124 HG22 ILE 11 HG22 ILE 11 43.809 7.849 3.471 125 HG23 ILE 11 HG23 ILE 11 45.185 8.972 3.491 126 HD11 ILE 11 HD1 ILE 11 43.432 5.552 3.653 127 HD12 ILE 11 HD2 ILE 11 43.596 6.079 5.340 128 HD13 ILE 11 HD3 ILE 11 43.814 4.368 4.919 129 H GLY 12 HN GLY 12 47.215 7.892 0.530 130 HA2 GLY 12 HA1 GLY 12 45.725 10.296 0.286 131 HA3 GLY 12 HA2 GLY 12 46.999 9.758 -0.833 132 H LYS 13 HN LYS 13 45.750 7.326 -1.661 133 HA LYS 13 HA LYS 13 44.230 8.193 -3.870 134 HB2 LYS 13 HB2 LYS 13 45.174 5.932 -3.703 135 HB3 LYS 13 HB1 LYS 13 44.077 5.555 -2.353 136 HG2 LYS 13 HG2 LYS 13 42.136 5.699 -3.767 137 HG3 LYS 13 HG1 LYS 13 43.079 6.417 -5.098 138 HD2 LYS 13 HD2 LYS 13 42.595 3.984 -5.459 139 HD3 LYS 13 HD1 LYS 13 44.338 4.331 -5.382 140 HE2 LYS 13 HE2 LYS 13 44.550 3.407 -3.209 141 HE3 LYS 13 HE1 LYS 13 42.802 3.514 -2.888 142 HZ1 LYS 13 HZ1 LYS 13 43.827 1.251 -3.509 143 HZ2 LYS 13 HZ2 LYS 13 43.821 1.842 -5.102 144 HZ3 LYS 13 HZ3 LYS 13 42.365 1.708 -4.237 145 H GLY 14 HN GLY 14 43.415 8.024 -0.551 146 HA2 GLY 14 HA1 GLY 14 40.476 8.023 -1.071 147 HA3 GLY 14 HA2 GLY 14 41.280 7.848 0.500 148 H VAL 15 HN VAL 15 43.021 9.997 0.562 149 HA VAL 15 HA VAL 15 41.040 12.264 0.671 150 HB VAL 15 HB VAL 15 42.771 13.349 2.161 151 HG11 VAL 15 HG11 VAL 15 40.797 12.095 3.030 152 HG12 VAL 15 HG12 VAL 15 42.207 11.963 4.111 153 HG13 VAL 15 HG13 VAL 15 41.772 10.606 3.044 154 HG21 VAL 15 HG21 VAL 15 44.772 12.134 1.451 155 HG22 VAL 15 HG22 VAL 15 44.042 10.582 1.926 156 HG23 VAL 15 HG23 VAL 15 44.469 11.782 3.166 157 H LYS 16 HN LYS 16 44.355 11.447 -0.437 158 HA LYS 16 HA LYS 16 44.936 14.041 -1.492 159 HB2 LYS 16 HB2 LYS 16 46.563 12.104 -1.126 160 HB3 LYS 16 HB1 LYS 16 45.920 11.397 -2.622 161 HG2 LYS 16 HG2 LYS 16 47.776 12.603 -3.428 162 HG3 LYS 16 HG1 LYS 16 46.456 13.765 -3.679 163 HD2 LYS 16 HD2 LYS 16 47.056 14.975 -1.648 164 HD3 LYS 16 HD1 LYS 16 48.247 13.730 -1.203 165 HE2 LYS 16 HE2 LYS 16 48.362 15.456 -3.713 166 HE3 LYS 16 HE1 LYS 16 49.326 15.717 -2.240 167 HZ1 LYS 16 HZ1 LYS 16 50.791 14.395 -3.276 168 HZ2 LYS 16 HZ2 LYS 16 49.636 13.739 -4.335 169 HZ3 LYS 16 HZ3 LYS 16 49.794 13.124 -2.759 170 H ILE 17 HN ILE 17 43.055 11.331 -2.715 171 HA ILE 17 HA ILE 17 42.976 12.125 -5.466 172 HB ILE 17 HB ILE 17 42.203 9.906 -4.568 173 HG12 ILE 17 HG12 ILE 17 39.880 11.242 -6.029 174 HG13 ILE 17 HG11 ILE 17 41.443 10.993 -6.836 175 HG21 ILE 17 HG21 ILE 17 40.069 9.700 -3.455 176 HG22 ILE 17 HG22 ILE 17 39.696 11.420 -3.710 177 HG23 ILE 17 HG23 ILE 17 40.996 10.947 -2.594 178 HD11 ILE 17 HD1 ILE 17 39.994 9.103 -7.337 179 HD12 ILE 17 HD2 ILE 17 39.656 8.847 -5.610 180 HD13 ILE 17 HD3 ILE 17 41.288 8.546 -6.253 181 H ILE 18 HN ILE 18 42.073 13.858 -2.813 182 HA ILE 18 HA ILE 18 40.821 15.772 -2.534 183 HB ILE 18 HB ILE 18 40.243 15.760 -5.528 184 HG12 ILE 18 HG12 ILE 18 42.712 16.746 -4.020 185 HG13 ILE 18 HG11 ILE 18 42.664 15.450 -5.236 186 HG21 ILE 18 HG21 ILE 18 39.970 18.124 -5.249 187 HG22 ILE 18 HG22 ILE 18 40.688 18.092 -3.621 188 HG23 ILE 18 HG23 ILE 18 39.081 17.381 -3.900 189 HD11 ILE 18 HD1 ILE 18 43.421 17.342 -6.452 190 HD12 ILE 18 HD2 ILE 18 42.280 18.435 -5.636 191 HD13 ILE 18 HD3 ILE 18 41.686 17.262 -6.837 192 H GLY 19 HN GLY 19 39.393 14.232 -1.420 193 HA2 GLY 19 HA1 GLY 19 36.660 14.614 -2.340 194 HA3 GLY 19 HA2 GLY 19 37.187 12.925 -2.479 195 H GLY 20 HN GLY 20 38.339 15.171 -0.011 196 HA2 GLY 20 HA1 GLY 20 36.461 14.215 2.017 197 HA3 GLY 20 HA2 GLY 20 38.086 13.514 2.174 198 H ALA 21 HN ALA 21 39.618 15.719 1.297 199 HA ALA 21 HA ALA 21 39.940 17.152 3.715 200 HB1 ALA 21 HB1 ALA 21 41.629 16.984 1.896 201 HB2 ALA 21 HB2 ALA 21 41.363 18.660 2.434 202 HB3 ALA 21 HB3 ALA 21 40.643 18.089 0.910 203 H ALA 22 HN ALA 22 38.716 18.540 0.632 204 HA ALA 22 HA ALA 22 37.446 20.750 2.095 205 HB1 ALA 22 HB1 ALA 22 37.207 19.972 -0.831 206 HB2 ALA 22 HB2 ALA 22 38.501 20.994 -0.160 207 HB3 ALA 22 HB3 ALA 22 36.809 21.545 -0.101 208 H LEU 23 HN LEU 23 36.490 17.722 0.530 209 HA LEU 23 HA LEU 23 33.627 18.290 0.787 210 HB2 LEU 23 HB2 LEU 23 34.955 16.725 -0.910 211 HB3 LEU 23 HB1 LEU 23 34.763 15.511 0.363 212 HG LEU 23 HG LEU 23 32.914 15.249 -1.150 213 HD11 LEU 23 HD11 LEU 23 31.831 16.826 1.224 214 HD12 LEU 23 HD12 LEU 23 32.425 15.152 1.317 215 HD13 LEU 23 HD13 LEU 23 31.014 15.540 0.310 216 HD21 LEU 23 HD21 LEU 23 31.596 16.957 -2.071 217 HD22 LEU 23 HD22 LEU 23 33.168 17.776 -1.965 218 HD23 LEU 23 HD23 LEU 23 31.915 18.091 -0.744 219 H ASP 24 HN ASP 24 33.758 18.870 3.080 220 HA ASP 24 HA ASP 24 32.846 16.689 4.732 221 HB2 ASP 24 HB2 ASP 24 35.315 16.205 4.745 222 HB3 ASP 24 HB1 ASP 24 35.582 17.812 5.459 223 H HIS 25 HN HIS 25 34.123 19.943 4.335 224 HA HIS 25 HA HIS 25 33.007 20.917 6.872 225 HB2 HIS 25 HB2 HIS 25 33.918 22.557 4.482 226 HB3 HIS 25 HB1 HIS 25 33.828 23.060 6.187 227 HD1 HIS 25 HD1 HIS 25 35.059 20.253 7.257 228 HD2 HIS 25 HD2 HIS 25 36.743 22.760 4.333 229 HE1 HIS 25 HE1 HIS 25 37.573 19.800 7.221 230 H LEU 26 HN LEU 26 30.868 19.788 6.096 231 HA LEU 26 HA LEU 26 29.285 21.287 4.160 232 HB2 LEU 26 HB2 LEU 26 28.191 19.451 6.319 233 HB3 LEU 26 HB1 LEU 26 27.526 19.787 4.702 234 HG LEU 26 HG LEU 26 30.112 18.292 5.324 235 HD11 LEU 26 HD11 LEU 26 27.534 17.346 4.000 236 HD12 LEU 26 HD12 LEU 26 27.929 17.082 5.715 237 HD13 LEU 26 HD13 LEU 26 28.940 16.351 4.446 238 HD21 LEU 26 HD21 LEU 26 30.506 19.475 3.282 239 HD22 LEU 26 HD22 LEU 26 28.837 19.217 2.715 240 HD23 LEU 26 HD23 LEU 26 29.980 17.854 2.774 Start of MODEL 81 1 H1 GLY 1 HT1 GLY 1 63.818 9.438 0.476 2 H2 GLY 1 HT2 GLY 1 62.708 9.123 1.724 3 H3 GLY 1 HT3 GLY 1 64.273 9.679 2.090 4 HA2 GLY 1 HA1 GLY 1 63.374 11.655 2.216 5 HA3 GLY 1 HA2 GLY 1 63.422 11.579 0.444 6 H ARG 2 HN ARG 2 61.586 13.177 1.729 7 HA ARG 2 HA ARG 2 59.090 12.076 2.378 8 HB2 ARG 2 HB2 ARG 2 59.805 14.526 2.420 9 HB3 ARG 2 HB1 ARG 2 59.459 14.570 0.674 10 HG2 ARG 2 HG2 ARG 2 57.131 13.944 1.071 11 HG3 ARG 2 HG1 ARG 2 57.449 13.726 2.809 12 HD2 ARG 2 HD2 ARG 2 56.396 15.920 2.389 13 HD3 ARG 2 HD1 ARG 2 58.060 16.128 2.988 14 HE ARG 2 HE ARG 2 58.248 16.099 0.179 15 HH11 ARG 2 HH11 ARG 2 55.557 17.542 1.234 16 HH12 ARG 2 HH12 ARG 2 56.046 19.182 0.968 17 HH21 ARG 2 HH21 ARG 2 59.378 18.383 0.439 18 HH22 ARG 2 HH22 ARG 2 58.209 19.658 0.520 19 H ARG 3 HN ARG 3 60.771 11.882 -0.597 20 HA ARG 3 HA ARG 3 58.420 11.697 -2.328 21 HB2 ARG 3 HB2 ARG 3 61.303 10.801 -2.732 22 HB3 ARG 3 HB1 ARG 3 60.052 10.847 -3.999 23 HG2 ARG 3 HG2 ARG 3 59.817 13.254 -3.769 24 HG3 ARG 3 HG1 ARG 3 60.893 13.269 -2.349 25 HD2 ARG 3 HD2 ARG 3 61.733 12.355 -5.135 26 HD3 ARG 3 HD1 ARG 3 62.042 13.979 -4.474 27 HE ARG 3 HE ARG 3 63.064 12.164 -2.580 28 HH11 ARG 3 HH11 ARG 3 65.106 11.163 -2.773 29 HH12 ARG 3 HH12 ARG 3 66.078 11.509 -4.164 30 HH21 ARG 3 HH21 ARG 3 63.627 13.396 -5.734 31 HH22 ARG 3 HH22 ARG 3 65.241 12.775 -5.841 32 H LYS 4 HN LYS 4 58.434 10.033 0.103 33 HA LYS 4 HA LYS 4 57.462 7.593 -1.086 34 HB2 LYS 4 HB2 LYS 4 60.096 7.421 -1.070 35 HB3 LYS 4 HB1 LYS 4 59.904 7.161 0.674 36 HG2 LYS 4 HG2 LYS 4 58.415 5.515 -1.431 37 HG3 LYS 4 HG1 LYS 4 60.001 5.052 -0.778 38 HD2 LYS 4 HD2 LYS 4 58.914 5.247 1.564 39 HD3 LYS 4 HD1 LYS 4 57.358 5.296 0.706 40 HE2 LYS 4 HE2 LYS 4 59.437 3.075 0.581 41 HE3 LYS 4 HE1 LYS 4 57.823 2.990 1.327 42 HZ1 LYS 4 HZ1 LYS 4 58.586 2.780 -1.449 43 HZ2 LYS 4 HZ2 LYS 4 57.285 3.841 -1.182 44 HZ3 LYS 4 HZ3 LYS 4 57.189 2.227 -0.660 45 H ARG 5 HN ARG 5 58.957 8.990 1.857 46 HA ARG 5 HA ARG 5 57.410 7.575 3.764 47 HB2 ARG 5 HB2 ARG 5 58.288 10.467 4.057 48 HB3 ARG 5 HB1 ARG 5 58.069 9.252 5.338 49 HG2 ARG 5 HG2 ARG 5 60.198 9.244 3.152 50 HG3 ARG 5 HG1 ARG 5 60.455 9.496 4.892 51 HD2 ARG 5 HD2 ARG 5 59.359 7.147 5.190 52 HD3 ARG 5 HD1 ARG 5 59.664 6.946 3.446 53 HE ARG 5 HE ARG 5 62.053 7.843 4.811 54 HH11 ARG 5 HH11 ARG 5 62.125 5.860 6.635 55 HH12 ARG 5 HH12 ARG 5 62.439 4.373 5.805 56 HH21 ARG 5 HH21 ARG 5 61.543 5.611 2.693 57 HH22 ARG 5 HH22 ARG 5 62.109 4.231 3.574 58 H LYS 6 HN LYS 6 55.303 7.396 2.824 59 HA LYS 6 HA LYS 6 53.079 8.014 2.641 60 HB2 LYS 6 HB2 LYS 6 53.719 10.336 4.494 61 HB3 LYS 6 HB1 LYS 6 52.171 9.482 4.295 62 HG2 LYS 6 HG2 LYS 6 54.742 8.275 5.419 63 HG3 LYS 6 HG1 LYS 6 53.321 8.773 6.369 64 HD2 LYS 6 HD2 LYS 6 51.970 7.149 4.845 65 HD3 LYS 6 HD1 LYS 6 53.555 6.492 4.368 66 HE2 LYS 6 HE2 LYS 6 54.082 6.090 6.779 67 HE3 LYS 6 HE1 LYS 6 52.451 6.660 7.206 68 HZ1 LYS 6 HZ1 LYS 6 52.595 4.606 5.145 69 HZ2 LYS 6 HZ2 LYS 6 51.501 4.785 6.432 70 HZ3 LYS 6 HZ3 LYS 6 53.036 4.111 6.706 71 H TRP 7 HN TRP 7 53.922 8.593 0.419 72 HA TRP 7 HA TRP 7 52.797 11.209 -0.280 73 HB2 TRP 7 HB2 TRP 7 55.116 11.859 0.321 74 HB3 TRP 7 HB1 TRP 7 55.744 10.659 -0.835 75 HD1 TRP 7 HD1 TRP 7 54.144 14.087 -0.625 76 HE1 TRP 7 HE1 TRP 7 54.098 15.201 -2.974 77 HE3 TRP 7 HE3 TRP 7 55.594 10.072 -3.451 78 HZ2 TRP 7 HZ2 TRP 7 54.625 14.422 -5.697 79 HZ3 TRP 7 HZ3 TRP 7 55.815 10.279 -5.921 80 HH2 TRP 7 HH2 TRP 7 55.332 12.449 -7.046 81 H LEU 8 HN LEU 8 53.962 8.052 -0.895 82 HA LEU 8 HA LEU 8 53.838 8.123 -3.783 83 HB2 LEU 8 HB2 LEU 8 54.022 5.716 -3.671 84 HB3 LEU 8 HB1 LEU 8 55.105 6.418 -2.455 85 HG LEU 8 HG LEU 8 52.312 5.305 -1.867 86 HD11 LEU 8 HD11 LEU 8 55.079 4.142 -1.345 87 HD12 LEU 8 HD12 LEU 8 53.923 3.563 -2.570 88 HD13 LEU 8 HD13 LEU 8 53.531 3.426 -0.840 89 HD21 LEU 8 HD21 LEU 8 53.363 5.360 0.537 90 HD22 LEU 8 HD22 LEU 8 52.780 6.889 -0.150 91 HD23 LEU 8 HD23 LEU 8 54.523 6.518 -0.156 92 H ARG 9 HN ARG 9 51.453 8.895 -1.814 93 HA ARG 9 HA ARG 9 49.138 8.785 -1.927 94 HB2 ARG 9 HB2 ARG 9 49.719 8.021 -4.818 95 HB3 ARG 9 HB1 ARG 9 48.160 8.595 -4.192 96 HG2 ARG 9 HG2 ARG 9 50.630 10.297 -3.723 97 HG3 ARG 9 HG1 ARG 9 49.883 10.298 -5.335 98 HD2 ARG 9 HD2 ARG 9 48.238 10.763 -2.821 99 HD3 ARG 9 HD1 ARG 9 49.067 12.092 -3.667 100 HE ARG 9 HE ARG 9 47.422 10.443 -5.441 101 HH11 ARG 9 HH11 ARG 9 46.472 12.151 -2.770 102 HH12 ARG 9 HH12 ARG 9 45.545 13.345 -3.616 103 HH21 ARG 9 HH21 ARG 9 46.677 12.383 -6.750 104 HH22 ARG 9 HH22 ARG 9 45.661 13.476 -5.870 105 H ARG 10 HN ARG 10 50.077 6.626 -0.688 106 HA ARG 10 HA ARG 10 49.369 4.124 -1.940 107 HB2 ARG 10 HB2 ARG 10 49.576 3.201 0.357 108 HB3 ARG 10 HB1 ARG 10 50.955 4.234 -0.081 109 HG2 ARG 10 HG2 ARG 10 49.475 6.160 1.063 110 HG3 ARG 10 HG1 ARG 10 48.703 4.775 1.874 111 HD2 ARG 10 HD2 ARG 10 51.166 4.017 2.408 112 HD3 ARG 10 HD1 ARG 10 51.575 5.713 2.055 113 HE ARG 10 HE ARG 10 50.492 6.336 4.069 114 HH11 ARG 10 HH11 ARG 10 49.890 5.625 6.160 115 HH12 ARG 10 HH12 ARG 10 48.980 4.159 6.309 116 HH21 ARG 10 HH21 ARG 10 49.228 3.351 2.946 117 HH22 ARG 10 HH22 ARG 10 48.607 2.871 4.489 118 H ILE 11 HN ILE 11 47.782 5.925 0.725 119 HA ILE 11 HA ILE 11 45.166 4.678 -0.100 120 HB ILE 11 HB ILE 11 45.942 4.122 2.238 121 HG12 ILE 11 HG12 ILE 11 43.533 5.998 2.132 122 HG13 ILE 11 HG11 ILE 11 43.515 4.305 1.588 123 HG21 ILE 11 HG21 ILE 11 47.117 6.416 2.492 124 HG22 ILE 11 HG22 ILE 11 46.215 5.812 3.900 125 HG23 ILE 11 HG23 ILE 11 45.506 7.070 2.861 126 HD11 ILE 11 HD1 ILE 11 43.948 5.372 4.401 127 HD12 ILE 11 HD2 ILE 11 44.360 3.701 3.945 128 HD13 ILE 11 HD3 ILE 11 42.678 4.270 3.825 129 H GLY 12 HN GLY 12 47.128 7.472 0.254 130 HA2 GLY 12 HA1 GLY 12 45.216 9.504 0.667 131 HA3 GLY 12 HA2 GLY 12 46.708 9.691 -0.282 132 H LYS 13 HN LYS 13 46.216 7.972 -2.445 133 HA LYS 13 HA LYS 13 44.702 9.606 -4.164 134 HB2 LYS 13 HB2 LYS 13 44.431 7.493 -5.568 135 HB3 LYS 13 HB1 LYS 13 46.100 7.901 -5.102 136 HG2 LYS 13 HG2 LYS 13 46.053 6.317 -3.280 137 HG3 LYS 13 HG1 LYS 13 44.319 6.007 -3.530 138 HD2 LYS 13 HD2 LYS 13 44.754 5.038 -5.734 139 HD3 LYS 13 HD1 LYS 13 46.478 5.462 -5.619 140 HE2 LYS 13 HE2 LYS 13 45.775 3.014 -5.047 141 HE3 LYS 13 HE1 LYS 13 46.889 3.847 -3.938 142 HZ1 LYS 13 HZ1 LYS 13 44.994 2.696 -2.836 143 HZ2 LYS 13 HZ2 LYS 13 43.935 3.792 -3.589 144 HZ3 LYS 13 HZ3 LYS 13 45.093 4.352 -2.479 145 H GLY 14 HN GLY 14 43.632 7.635 -1.605 146 HA2 GLY 14 HA1 GLY 14 40.880 7.294 -2.691 147 HA3 GLY 14 HA2 GLY 14 41.539 6.585 -1.205 148 H VAL 15 HN VAL 15 42.639 8.820 0.050 149 HA VAL 15 HA VAL 15 40.129 10.392 0.653 150 HB VAL 15 HB VAL 15 41.293 10.897 2.848 151 HG11 VAL 15 HG11 VAL 15 40.777 7.971 2.163 152 HG12 VAL 15 HG12 VAL 15 39.555 9.162 2.666 153 HG13 VAL 15 HG13 VAL 15 40.822 8.651 3.806 154 HG21 VAL 15 HG21 VAL 15 43.117 9.248 3.481 155 HG22 VAL 15 HG22 VAL 15 43.610 10.451 2.268 156 HG23 VAL 15 HG23 VAL 15 43.219 8.788 1.767 157 H LYS 16 HN LYS 16 43.671 10.620 0.225 158 HA LYS 16 HA LYS 16 43.782 13.472 0.488 159 HB2 LYS 16 HB2 LYS 16 45.719 11.824 0.601 160 HB3 LYS 16 HB1 LYS 16 45.660 11.761 -1.176 161 HG2 LYS 16 HG2 LYS 16 45.877 14.279 -1.202 162 HG3 LYS 16 HG1 LYS 16 46.139 14.225 0.556 163 HD2 LYS 16 HD2 LYS 16 47.837 12.738 -1.501 164 HD3 LYS 16 HD1 LYS 16 48.282 14.287 -0.753 165 HE2 LYS 16 HE2 LYS 16 47.924 13.027 1.526 166 HE3 LYS 16 HE1 LYS 16 48.059 11.552 0.538 167 HZ1 LYS 16 HZ1 LYS 16 50.239 11.838 0.847 168 HZ2 LYS 16 HZ2 LYS 16 50.086 13.473 1.286 169 HZ3 LYS 16 HZ3 LYS 16 50.123 13.030 -0.355 170 H ILE 17 HN ILE 17 43.349 11.308 -2.383 171 HA ILE 17 HA ILE 17 43.674 13.034 -4.487 172 HB ILE 17 HB ILE 17 42.802 10.772 -4.807 173 HG12 ILE 17 HG12 ILE 17 41.164 11.166 -6.569 174 HG13 ILE 17 HG11 ILE 17 40.763 12.763 -5.907 175 HG21 ILE 17 HG21 ILE 17 40.508 10.175 -4.271 176 HG22 ILE 17 HG22 ILE 17 40.148 11.846 -3.781 177 HG23 ILE 17 HG23 ILE 17 41.265 10.856 -2.812 178 HD11 ILE 17 HD1 ILE 17 42.425 12.619 -7.934 179 HD12 ILE 17 HD2 ILE 17 43.619 12.106 -6.719 180 HD13 ILE 17 HD3 ILE 17 42.832 13.698 -6.583 181 H ILE 18 HN ILE 18 40.970 13.180 -2.160 182 HA ILE 18 HA ILE 18 40.511 15.974 -2.861 183 HB ILE 18 HB ILE 18 39.322 14.613 -4.705 184 HG12 ILE 18 HG12 ILE 18 37.630 16.499 -2.997 185 HG13 ILE 18 HG11 ILE 18 38.848 17.004 -4.191 186 HG21 ILE 18 HG21 ILE 18 37.038 14.202 -2.767 187 HG22 ILE 18 HG22 ILE 18 38.361 13.014 -2.755 188 HG23 ILE 18 HG23 ILE 18 37.447 13.313 -4.250 189 HD11 ILE 18 HD1 ILE 18 36.266 15.475 -4.701 190 HD12 ILE 18 HD2 ILE 18 37.554 15.645 -5.918 191 HD13 ILE 18 HD3 ILE 18 36.713 17.089 -5.302 192 H GLY 19 HN GLY 19 41.238 14.604 -0.509 193 HA2 GLY 19 HA1 GLY 19 39.009 15.489 1.240 194 HA3 GLY 19 HA2 GLY 19 39.495 13.787 1.376 195 H GLY 20 HN GLY 20 42.111 15.649 0.413 196 HA2 GLY 20 HA1 GLY 20 42.923 16.480 3.140 197 HA3 GLY 20 HA2 GLY 20 43.868 15.169 2.401 198 H ALA 21 HN ALA 21 43.383 16.298 -0.329 199 HA ALA 21 HA ALA 21 45.713 18.080 -0.340 200 HB1 ALA 21 HB1 ALA 21 45.399 16.454 -2.131 201 HB2 ALA 21 HB2 ALA 21 45.322 18.104 -2.796 202 HB3 ALA 21 HB3 ALA 21 43.825 17.172 -2.544 203 H ALA 22 HN ALA 22 42.921 18.762 0.863 204 HA ALA 22 HA ALA 22 42.999 21.577 0.018 205 HB1 ALA 22 HB1 ALA 22 40.602 21.629 -0.644 206 HB2 ALA 22 HB2 ALA 22 40.567 19.850 -0.565 207 HB3 ALA 22 HB3 ALA 22 41.602 20.669 -1.760 208 H LEU 23 HN LEU 23 41.390 18.943 1.790 209 HA LEU 23 HA LEU 23 40.182 20.786 3.735 210 HB2 LEU 23 HB2 LEU 23 40.418 17.770 3.469 211 HB3 LEU 23 HB1 LEU 23 39.804 18.506 4.968 212 HG LEU 23 HG LEU 23 38.056 19.694 3.671 213 HD11 LEU 23 HD11 LEU 23 39.048 20.013 1.521 214 HD12 LEU 23 HD12 LEU 23 37.726 18.856 1.248 215 HD13 LEU 23 HD13 LEU 23 39.408 18.279 1.339 216 HD21 LEU 23 HD21 LEU 23 36.724 17.680 3.060 217 HD22 LEU 23 HD22 LEU 23 37.573 17.461 4.610 218 HD23 LEU 23 HD23 LEU 23 38.204 16.692 3.133 219 H ASP 24 HN ASP 24 42.666 21.624 3.736 220 HA ASP 24 HA ASP 24 43.575 21.018 6.432 221 HB2 ASP 24 HB2 ASP 24 44.505 19.071 5.125 222 HB3 ASP 24 HB1 ASP 24 45.443 20.237 4.162 223 H HIS 25 HN HIS 25 44.592 22.255 3.219 224 HA HIS 25 HA HIS 25 45.639 24.245 2.643 225 HB2 HIS 25 HB2 HIS 25 43.508 25.175 3.474 226 HB3 HIS 25 HB1 HIS 25 44.183 25.255 5.120 227 HD1 HIS 25 HD1 HIS 25 44.425 27.743 5.481 228 HD2 HIS 25 HD2 HIS 25 46.024 26.484 1.801 229 HE1 HIS 25 HE1 HIS 25 45.654 29.738 4.461 230 H LEU 26 HN LEU 26 47.522 22.768 3.564 231 HA LEU 26 HA LEU 26 49.531 22.695 4.723 232 HB2 LEU 26 HB2 LEU 26 49.027 25.676 4.474 233 HB3 LEU 26 HB1 LEU 26 50.505 25.054 5.231 234 HG LEU 26 HG LEU 26 50.654 25.620 2.736 235 HD11 LEU 26 HD11 LEU 26 52.193 23.882 2.282 236 HD12 LEU 26 HD12 LEU 26 51.286 22.683 3.223 237 HD13 LEU 26 HD13 LEU 26 52.181 23.974 4.055 238 HD21 LEU 26 HD21 LEU 26 48.381 24.610 2.211 239 HD22 LEU 26 HD22 LEU 26 49.125 23.004 2.388 240 HD23 LEU 26 HD23 LEU 26 49.694 24.114 1.120 Start of MODEL 82 1 H1 GLY 1 HT1 GLY 1 55.441 1.890 -4.647 2 H2 GLY 1 HT2 GLY 1 54.128 0.952 -5.180 3 H3 GLY 1 HT3 GLY 1 55.719 0.492 -5.562 4 HA2 GLY 1 HA1 GLY 1 54.174 0.060 -3.195 5 HA3 GLY 1 HA2 GLY 1 55.535 -0.863 -3.861 6 H ARG 2 HN ARG 2 57.127 1.702 -4.075 7 HA ARG 2 HA ARG 2 57.461 2.724 -1.393 8 HB2 ARG 2 HB2 ARG 2 59.658 1.667 -0.902 9 HB3 ARG 2 HB1 ARG 2 58.332 0.481 -0.929 10 HG2 ARG 2 HG2 ARG 2 58.918 -0.028 -3.328 11 HG3 ARG 2 HG1 ARG 2 60.337 1.035 -3.157 12 HD2 ARG 2 HD2 ARG 2 59.742 -1.528 -1.624 13 HD3 ARG 2 HD1 ARG 2 61.096 -1.217 -2.737 14 HE ARG 2 HE ARG 2 61.193 0.696 -0.610 15 HH11 ARG 2 HH11 ARG 2 63.277 0.404 0.394 16 HH12 ARG 2 HH12 ARG 2 63.685 -1.191 0.933 17 HH21 ARG 2 HH21 ARG 2 60.980 -2.698 -0.631 18 HH22 ARG 2 HH22 ARG 2 62.384 -2.947 0.354 19 H ARG 3 HN ARG 3 57.328 3.480 -4.274 20 HA ARG 3 HA ARG 3 59.908 4.297 -5.198 21 HB2 ARG 3 HB2 ARG 3 57.782 4.213 -6.555 22 HB3 ARG 3 HB1 ARG 3 57.246 5.682 -5.708 23 HG2 ARG 3 HG2 ARG 3 59.102 6.960 -6.580 24 HG3 ARG 3 HG1 ARG 3 59.881 5.497 -7.229 25 HD2 ARG 3 HD2 ARG 3 58.753 6.694 -9.046 26 HD3 ARG 3 HD1 ARG 3 57.907 5.159 -8.732 27 HE ARG 3 HE ARG 3 56.613 7.082 -7.141 28 HH11 ARG 3 HH11 ARG 3 57.694 7.980 -10.130 29 HH12 ARG 3 HH12 ARG 3 56.135 8.169 -10.861 30 HH21 ARG 3 HH21 ARG 3 54.426 6.711 -8.221 31 HH22 ARG 3 HH22 ARG 3 54.285 7.451 -9.780 32 H LYS 4 HN LYS 4 58.005 5.396 -2.570 33 HA LYS 4 HA LYS 4 59.961 7.515 -2.000 34 HB2 LYS 4 HB2 LYS 4 58.355 8.638 -3.568 35 HB3 LYS 4 HB1 LYS 4 57.045 8.287 -2.413 36 HG2 LYS 4 HG2 LYS 4 58.145 9.602 -0.680 37 HG3 LYS 4 HG1 LYS 4 59.572 9.845 -1.717 38 HD2 LYS 4 HD2 LYS 4 58.286 11.156 -3.302 39 HD3 LYS 4 HD1 LYS 4 56.764 10.767 -2.463 40 HE2 LYS 4 HE2 LYS 4 57.592 13.044 -1.874 41 HE3 LYS 4 HE1 LYS 4 57.536 11.969 -0.455 42 HZ1 LYS 4 HZ1 LYS 4 59.621 13.232 -0.611 43 HZ2 LYS 4 HZ2 LYS 4 59.960 12.496 -2.105 44 HZ3 LYS 4 HZ3 LYS 4 59.887 11.559 -0.690 45 H ARG 5 HN ARG 5 60.175 5.893 -0.274 46 HA ARG 5 HA ARG 5 59.702 5.082 1.856 47 HB2 ARG 5 HB2 ARG 5 58.588 7.906 2.098 48 HB3 ARG 5 HB1 ARG 5 58.966 6.832 3.467 49 HG2 ARG 5 HG2 ARG 5 61.327 6.699 2.702 50 HG3 ARG 5 HG1 ARG 5 60.945 7.801 1.356 51 HD2 ARG 5 HD2 ARG 5 60.407 9.600 2.876 52 HD3 ARG 5 HD1 ARG 5 60.489 8.511 4.283 53 HE ARG 5 HE ARG 5 62.828 8.807 4.267 54 HH11 ARG 5 HH11 ARG 5 64.321 7.970 2.319 55 HH12 ARG 5 HH12 ARG 5 64.554 9.226 1.148 56 HH21 ARG 5 HH21 ARG 5 61.888 11.136 2.275 57 HH22 ARG 5 HH22 ARG 5 63.177 11.019 1.124 58 H LYS 6 HN LYS 6 57.027 7.086 2.590 59 HA LYS 6 HA LYS 6 55.001 5.109 1.672 60 HB2 LYS 6 HB2 LYS 6 55.549 5.731 4.603 61 HB3 LYS 6 HB1 LYS 6 54.086 4.913 4.005 62 HG2 LYS 6 HG2 LYS 6 55.632 3.199 2.905 63 HG3 LYS 6 HG1 LYS 6 56.967 3.940 3.816 64 HD2 LYS 6 HD2 LYS 6 54.423 2.819 5.075 65 HD3 LYS 6 HD1 LYS 6 55.969 1.947 4.977 66 HE2 LYS 6 HE2 LYS 6 56.990 4.031 6.170 67 HE3 LYS 6 HE1 LYS 6 55.304 4.448 6.564 68 HZ1 LYS 6 HZ1 LYS 6 55.250 2.883 8.116 69 HZ2 LYS 6 HZ2 LYS 6 56.927 2.694 7.922 70 HZ3 LYS 6 HZ3 LYS 6 55.852 1.695 7.067 71 H TRP 7 HN TRP 7 54.438 6.970 0.387 72 HA TRP 7 HA TRP 7 52.337 8.519 1.625 73 HB2 TRP 7 HB2 TRP 7 54.311 9.759 2.520 74 HB3 TRP 7 HB1 TRP 7 54.847 10.060 0.850 75 HD1 TRP 7 HD1 TRP 7 53.747 12.001 -0.427 76 HE1 TRP 7 HE1 TRP 7 51.894 13.751 0.090 77 HE3 TRP 7 HE3 TRP 7 51.952 10.013 3.937 78 HZ2 TRP 7 HZ2 TRP 7 49.914 14.197 2.133 79 HZ3 TRP 7 HZ3 TRP 7 50.081 11.118 5.152 80 HH2 TRP 7 HH2 TRP 7 49.062 13.206 4.256 81 H LEU 8 HN LEU 8 53.691 6.976 -0.839 82 HA LEU 8 HA LEU 8 53.479 8.571 -3.135 83 HB2 LEU 8 HB2 LEU 8 52.335 5.815 -3.446 84 HB3 LEU 8 HB1 LEU 8 53.681 6.598 -4.304 85 HG LEU 8 HG LEU 8 54.955 6.325 -1.983 86 HD11 LEU 8 HD11 LEU 8 52.695 5.452 -0.938 87 HD12 LEU 8 HD12 LEU 8 54.205 4.601 -0.540 88 HD13 LEU 8 HD13 LEU 8 53.096 3.925 -1.755 89 HD21 LEU 8 HD21 LEU 8 55.584 5.188 -4.087 90 HD22 LEU 8 HD22 LEU 8 54.340 3.949 -3.800 91 HD23 LEU 8 HD23 LEU 8 55.735 4.081 -2.702 92 H ARG 9 HN ARG 9 50.901 6.301 -2.088 93 HA ARG 9 HA ARG 9 48.842 8.365 -2.360 94 HB2 ARG 9 HB2 ARG 9 49.465 7.501 -4.765 95 HB3 ARG 9 HB1 ARG 9 48.607 6.023 -4.280 96 HG2 ARG 9 HG2 ARG 9 46.837 7.234 -5.224 97 HG3 ARG 9 HG1 ARG 9 46.700 7.762 -3.533 98 HD2 ARG 9 HD2 ARG 9 46.587 9.741 -4.915 99 HD3 ARG 9 HD1 ARG 9 48.187 9.745 -4.139 100 HE ARG 9 HE ARG 9 48.386 8.414 -6.668 101 HH11 ARG 9 HH11 ARG 9 46.741 10.630 -7.647 102 HH12 ARG 9 HH12 ARG 9 47.892 11.894 -7.923 103 HH21 ARG 9 HH21 ARG 9 50.368 10.422 -5.991 104 HH22 ARG 9 HH22 ARG 9 49.945 11.777 -6.985 105 H ARG 10 HN ARG 10 50.035 6.182 -0.565 106 HA ARG 10 HA ARG 10 48.347 4.002 -0.195 107 HB2 ARG 10 HB2 ARG 10 48.755 4.628 2.406 108 HB3 ARG 10 HB1 ARG 10 50.066 4.018 1.370 109 HG2 ARG 10 HG2 ARG 10 50.969 6.190 1.016 110 HG3 ARG 10 HG1 ARG 10 49.500 6.997 1.612 111 HD2 ARG 10 HD2 ARG 10 51.567 6.866 3.205 112 HD3 ARG 10 HD1 ARG 10 49.968 6.452 3.869 113 HE ARG 10 HE ARG 10 51.389 4.131 2.801 114 HH11 ARG 10 HH11 ARG 10 51.550 2.512 4.407 115 HH12 ARG 10 HH12 ARG 10 51.802 2.993 6.052 116 HH21 ARG 10 HH21 ARG 10 51.456 6.380 5.391 117 HH22 ARG 10 HH22 ARG 10 51.747 5.184 6.608 118 H ILE 11 HN ILE 11 47.860 6.569 2.202 119 HA ILE 11 HA ILE 11 44.953 6.094 2.081 120 HB ILE 11 HB ILE 11 44.886 7.876 3.879 121 HG12 ILE 11 HG12 ILE 11 47.926 7.658 3.987 122 HG13 ILE 11 HG11 ILE 11 47.168 8.883 2.951 123 HG21 ILE 11 HG21 ILE 11 46.852 5.590 4.361 124 HG22 ILE 11 HG22 ILE 11 45.080 5.429 4.352 125 HG23 ILE 11 HG23 ILE 11 45.875 6.422 5.594 126 HD11 ILE 11 HD1 ILE 11 46.762 8.565 5.956 127 HD12 ILE 11 HD2 ILE 11 45.892 9.732 4.930 128 HD13 ILE 11 HD3 ILE 11 47.655 9.863 5.134 129 H GLY 12 HN GLY 12 47.268 8.228 0.669 130 HA2 GLY 12 HA1 GLY 12 45.733 10.573 0.307 131 HA3 GLY 12 HA2 GLY 12 46.978 9.982 -0.816 132 H LYS 13 HN LYS 13 45.781 7.513 -1.466 133 HA LYS 13 HA LYS 13 44.230 8.107 -3.705 134 HB2 LYS 13 HB2 LYS 13 45.164 5.875 -3.181 135 HB3 LYS 13 HB1 LYS 13 43.975 5.697 -1.868 136 HG2 LYS 13 HG2 LYS 13 42.130 5.722 -3.429 137 HG3 LYS 13 HG1 LYS 13 43.201 6.189 -4.770 138 HD2 LYS 13 HD2 LYS 13 42.655 3.759 -4.834 139 HD3 LYS 13 HD1 LYS 13 44.395 4.041 -4.603 140 HE2 LYS 13 HE2 LYS 13 43.234 2.263 -3.089 141 HE3 LYS 13 HE1 LYS 13 44.314 3.438 -2.306 142 HZ1 LYS 13 HZ1 LYS 13 41.413 3.967 -2.586 143 HZ2 LYS 13 HZ2 LYS 13 42.521 4.648 -1.492 144 HZ3 LYS 13 HZ3 LYS 13 42.009 3.039 -1.298 145 H GLY 14 HN GLY 14 43.381 8.278 -0.376 146 HA2 GLY 14 HA1 GLY 14 40.454 8.260 -0.918 147 HA3 GLY 14 HA2 GLY 14 41.248 8.263 0.667 148 H VAL 15 HN VAL 15 43.008 10.411 0.474 149 HA VAL 15 HA VAL 15 41.009 12.660 0.348 150 HB VAL 15 HB VAL 15 42.782 13.933 1.652 151 HG11 VAL 15 HG11 VAL 15 40.816 12.876 2.724 152 HG12 VAL 15 HG12 VAL 15 42.248 12.776 3.777 153 HG13 VAL 15 HG13 VAL 15 41.710 11.345 2.864 154 HG21 VAL 15 HG21 VAL 15 44.744 12.578 1.069 155 HG22 VAL 15 HG22 VAL 15 43.999 11.137 1.801 156 HG23 VAL 15 HG23 VAL 15 44.479 12.510 2.824 157 H LYS 16 HN LYS 16 44.351 11.817 -0.732 158 HA LYS 16 HA LYS 16 44.808 14.292 -2.076 159 HB2 LYS 16 HB2 LYS 16 45.864 11.487 -2.573 160 HB3 LYS 16 HB1 LYS 16 46.406 12.885 -3.523 161 HG2 LYS 16 HG2 LYS 16 46.467 13.044 -0.489 162 HG3 LYS 16 HG1 LYS 16 47.747 12.154 -1.340 163 HD2 LYS 16 HD2 LYS 16 48.221 14.177 -2.720 164 HD3 LYS 16 HD1 LYS 16 46.987 15.074 -1.806 165 HE2 LYS 16 HE2 LYS 16 49.306 15.460 -0.939 166 HE3 LYS 16 HE1 LYS 16 48.224 14.742 0.278 167 HZ1 LYS 16 HZ1 LYS 16 49.856 12.999 -1.456 168 HZ2 LYS 16 HZ2 LYS 16 49.239 12.698 0.098 169 HZ3 LYS 16 HZ3 LYS 16 50.565 13.741 -0.106 170 H ILE 17 HN ILE 17 43.018 11.388 -3.001 171 HA ILE 17 HA ILE 17 42.786 12.007 -5.793 172 HB ILE 17 HB ILE 17 42.181 9.802 -4.561 173 HG12 ILE 17 HG12 ILE 17 40.144 10.904 -6.556 174 HG13 ILE 17 HG11 ILE 17 41.745 10.272 -6.998 175 HG21 ILE 17 HG21 ILE 17 39.981 9.550 -3.659 176 HG22 ILE 17 HG22 ILE 17 39.454 11.125 -4.295 177 HG23 ILE 17 HG23 ILE 17 40.614 11.051 -2.948 178 HD11 ILE 17 HD1 ILE 17 40.270 8.437 -7.315 179 HD12 ILE 17 HD2 ILE 17 39.387 8.774 -5.809 180 HD13 ILE 17 HD3 ILE 17 41.039 8.113 -5.745 181 H ILE 18 HN ILE 18 41.855 13.802 -3.192 182 HA ILE 18 HA ILE 18 40.475 15.635 -2.954 183 HB ILE 18 HB ILE 18 39.819 15.451 -5.925 184 HG12 ILE 18 HG12 ILE 18 42.260 16.645 -4.528 185 HG13 ILE 18 HG11 ILE 18 42.256 15.319 -5.713 186 HG21 ILE 18 HG21 ILE 18 38.590 17.058 -4.335 187 HG22 ILE 18 HG22 ILE 18 39.393 17.801 -5.737 188 HG23 ILE 18 HG23 ILE 18 40.152 17.887 -4.129 189 HD11 ILE 18 HD1 ILE 18 42.857 17.226 -6.992 190 HD12 ILE 18 HD2 ILE 18 41.670 18.264 -6.166 191 HD13 ILE 18 HD3 ILE 18 41.119 17.026 -7.322 192 H GLY 19 HN GLY 19 39.065 14.398 -1.659 193 HA2 GLY 19 HA1 GLY 19 36.421 13.864 -2.998 194 HA3 GLY 19 HA2 GLY 19 37.140 12.686 -1.881 195 H GLY 20 HN GLY 20 36.170 12.713 0.020 196 HA2 GLY 20 HA1 GLY 20 34.492 14.784 0.953 197 HA3 GLY 20 HA2 GLY 20 35.235 13.533 1.970 198 H ALA 21 HN ALA 21 35.244 15.265 3.594 199 HA ALA 21 HA ALA 21 36.326 16.940 4.780 200 HB1 ALA 21 HB1 ALA 21 38.792 16.908 4.665 201 HB2 ALA 21 HB2 ALA 21 38.706 15.902 3.199 202 HB3 ALA 21 HB3 ALA 21 38.120 15.264 4.754 203 H ALA 22 HN ALA 22 35.438 17.328 1.801 204 HA ALA 22 HA ALA 22 36.082 20.153 1.729 205 HB1 ALA 22 HB1 ALA 22 37.337 18.445 -0.446 206 HB2 ALA 22 HB2 ALA 22 38.239 19.144 0.920 207 HB3 ALA 22 HB3 ALA 22 37.444 20.212 -0.262 208 H LEU 23 HN LEU 23 35.306 17.332 -0.350 209 HA LEU 23 HA LEU 23 33.362 18.905 -1.895 210 HB2 LEU 23 HB2 LEU 23 34.792 16.985 -2.792 211 HB3 LEU 23 HB1 LEU 23 33.749 15.892 -1.857 212 HG LEU 23 HG LEU 23 31.760 17.109 -3.098 213 HD11 LEU 23 HD11 LEU 23 32.463 17.789 -5.448 214 HD12 LEU 23 HD12 LEU 23 34.146 17.797 -4.877 215 HD13 LEU 23 HD13 LEU 23 32.959 18.922 -4.175 216 HD21 LEU 23 HD21 LEU 23 33.662 15.242 -4.585 217 HD22 LEU 23 HD22 LEU 23 31.949 15.509 -4.988 218 HD23 LEU 23 HD23 LEU 23 32.391 14.743 -3.443 219 H ASP 24 HN ASP 24 32.385 19.433 0.397 220 HA ASP 24 HA ASP 24 29.883 17.907 0.526 221 HB2 ASP 24 HB2 ASP 24 31.326 16.474 1.916 222 HB3 ASP 24 HB1 ASP 24 31.788 17.882 2.904 223 H HIS 25 HN HIS 25 32.020 20.494 1.519 224 HA HIS 25 HA HIS 25 30.003 21.879 3.130 225 HB2 HIS 25 HB2 HIS 25 32.667 22.755 1.949 226 HB3 HIS 25 HB1 HIS 25 31.659 23.771 3.008 227 HD1 HIS 25 HD1 HIS 25 34.168 23.367 4.361 228 HD2 HIS 25 HD2 HIS 25 31.323 20.269 4.347 229 HE1 HIS 25 HE1 HIS 25 34.704 21.831 6.332 230 H LEU 26 HN LEU 26 31.536 22.489 -0.070 231 HA LEU 26 HA LEU 26 30.792 23.778 -1.856 232 HB2 LEU 26 HB2 LEU 26 28.232 22.534 -0.800 233 HB3 LEU 26 HB1 LEU 26 28.205 23.616 -2.213 234 HG LEU 26 HG LEU 26 29.741 22.169 -3.426 235 HD11 LEU 26 HD11 LEU 26 31.236 21.383 -1.729 236 HD12 LEU 26 HD12 LEU 26 30.389 19.932 -2.314 237 HD13 LEU 26 HD13 LEU 26 29.908 20.685 -0.774 238 HD21 LEU 26 HD21 LEU 26 27.643 20.438 -2.043 239 HD22 LEU 26 HD22 LEU 26 28.333 20.191 -3.664 240 HD23 LEU 26 HD23 LEU 26 27.282 21.592 -3.347 Start of MODEL 83 1 H1 GLY 1 HT1 GLY 1 54.712 -1.191 -0.616 2 H2 GLY 1 HT2 GLY 1 56.253 -1.864 -0.868 3 H3 GLY 1 HT3 GLY 1 54.947 -2.327 -1.852 4 HA2 GLY 1 HA1 GLY 1 56.202 -0.888 -3.129 5 HA3 GLY 1 HA2 GLY 1 54.775 0.012 -2.579 6 H ARG 2 HN ARG 2 57.614 0.775 -3.382 7 HA ARG 2 HA ARG 2 57.903 2.870 -1.389 8 HB2 ARG 2 HB2 ARG 2 58.927 0.891 -0.201 9 HB3 ARG 2 HB1 ARG 2 60.139 0.812 -1.502 10 HG2 ARG 2 HG2 ARG 2 60.879 3.095 -1.007 11 HG3 ARG 2 HG1 ARG 2 59.606 3.269 0.226 12 HD2 ARG 2 HD2 ARG 2 60.606 1.517 1.589 13 HD3 ARG 2 HD1 ARG 2 61.795 1.150 0.317 14 HE ARG 2 HE ARG 2 62.141 3.873 0.927 15 HH11 ARG 2 HH11 ARG 2 63.632 1.043 1.546 16 HH12 ARG 2 HH12 ARG 2 64.218 1.437 3.127 17 HH21 ARG 2 HH21 ARG 2 62.297 4.311 3.411 18 HH22 ARG 2 HH22 ARG 2 63.462 3.287 4.182 19 H ARG 3 HN ARG 3 58.094 4.438 -2.868 20 HA ARG 3 HA ARG 3 60.421 4.257 -4.769 21 HB2 ARG 3 HB2 ARG 3 57.630 5.271 -5.455 22 HB3 ARG 3 HB1 ARG 3 59.050 5.288 -6.529 23 HG2 ARG 3 HG2 ARG 3 59.184 2.772 -6.256 24 HG3 ARG 3 HG1 ARG 3 57.631 2.843 -5.388 25 HD2 ARG 3 HD2 ARG 3 56.622 3.981 -7.391 26 HD3 ARG 3 HD1 ARG 3 58.158 3.732 -8.255 27 HE ARG 3 HE ARG 3 57.518 1.485 -8.566 28 HH11 ARG 3 HH11 ARG 3 57.348 0.043 -6.290 29 HH12 ARG 3 HH12 ARG 3 55.676 -0.079 -5.853 30 HH21 ARG 3 HH21 ARG 3 54.686 2.571 -7.858 31 HH22 ARG 3 HH22 ARG 3 54.169 1.352 -6.741 32 H LYS 4 HN LYS 4 58.473 5.960 -2.500 33 HA LYS 4 HA LYS 4 60.385 8.163 -2.430 34 HB2 LYS 4 HB2 LYS 4 58.582 9.928 -2.827 35 HB3 LYS 4 HB1 LYS 4 59.148 9.056 -4.273 36 HG2 LYS 4 HG2 LYS 4 57.199 7.669 -4.334 37 HG3 LYS 4 HG1 LYS 4 56.710 8.149 -2.692 38 HD2 LYS 4 HD2 LYS 4 55.322 9.323 -4.346 39 HD3 LYS 4 HD1 LYS 4 56.369 10.488 -3.501 40 HE2 LYS 4 HE2 LYS 4 57.837 10.691 -5.364 41 HE3 LYS 4 HE1 LYS 4 57.203 9.217 -6.137 42 HZ1 LYS 4 HZ1 LYS 4 56.074 10.793 -7.299 43 HZ2 LYS 4 HZ2 LYS 4 56.059 11.915 -6.025 44 HZ3 LYS 4 HZ3 LYS 4 54.981 10.603 -6.016 45 H ARG 5 HN ARG 5 60.057 6.550 -0.441 46 HA ARG 5 HA ARG 5 59.455 6.404 1.789 47 HB2 ARG 5 HB2 ARG 5 60.169 8.853 1.680 48 HB3 ARG 5 HB1 ARG 5 58.443 9.261 1.538 49 HG2 ARG 5 HG2 ARG 5 57.979 8.098 3.669 50 HG3 ARG 5 HG1 ARG 5 59.700 7.664 3.813 51 HD2 ARG 5 HD2 ARG 5 60.313 10.053 3.875 52 HD3 ARG 5 HD1 ARG 5 58.602 10.508 3.687 53 HE ARG 5 HE ARG 5 58.337 10.099 5.991 54 HH11 ARG 5 HH11 ARG 5 61.552 9.902 5.591 55 HH12 ARG 5 HH12 ARG 5 61.853 8.649 6.748 56 HH21 ARG 5 HH21 ARG 5 58.505 7.831 7.130 57 HH22 ARG 5 HH22 ARG 5 60.128 7.477 7.621 58 H LYS 6 HN LYS 6 57.683 6.009 3.181 59 HA LYS 6 HA LYS 6 55.335 5.085 1.924 60 HB2 LYS 6 HB2 LYS 6 55.827 5.992 4.782 61 HB3 LYS 6 HB1 LYS 6 54.346 5.157 4.254 62 HG2 LYS 6 HG2 LYS 6 55.707 3.253 3.439 63 HG3 LYS 6 HG1 LYS 6 57.189 4.078 3.977 64 HD2 LYS 6 HD2 LYS 6 54.866 3.317 5.810 65 HD3 LYS 6 HD1 LYS 6 56.350 2.359 5.616 66 HE2 LYS 6 HE2 LYS 6 57.565 4.648 6.224 67 HE3 LYS 6 HE1 LYS 6 55.984 5.059 6.933 68 HZ1 LYS 6 HZ1 LYS 6 56.469 2.495 7.758 69 HZ2 LYS 6 HZ2 LYS 6 56.646 3.905 8.689 70 HZ3 LYS 6 HZ3 LYS 6 57.985 3.247 7.875 71 H TRP 7 HN TRP 7 54.680 6.726 0.441 72 HA TRP 7 HA TRP 7 52.584 8.410 1.489 73 HB2 TRP 7 HB2 TRP 7 54.545 9.780 2.191 74 HB3 TRP 7 HB1 TRP 7 55.072 9.857 0.494 75 HD1 TRP 7 HD1 TRP 7 54.035 11.680 -0.966 76 HE1 TRP 7 HE1 TRP 7 52.137 13.437 -0.704 77 HE3 TRP 7 HE3 TRP 7 52.072 10.087 3.485 78 HZ2 TRP 7 HZ2 TRP 7 50.060 14.041 1.197 79 HZ3 TRP 7 HZ3 TRP 7 50.132 11.269 4.504 80 HH2 TRP 7 HH2 TRP 7 49.124 13.243 3.366 81 H LEU 8 HN LEU 8 53.820 6.525 -0.762 82 HA LEU 8 HA LEU 8 53.660 7.776 -3.254 83 HB2 LEU 8 HB2 LEU 8 52.277 5.114 -3.132 84 HB3 LEU 8 HB1 LEU 8 53.638 5.650 -4.142 85 HG LEU 8 HG LEU 8 54.982 5.617 -1.835 86 HD11 LEU 8 HD11 LEU 8 54.173 4.141 -0.159 87 HD12 LEU 8 HD12 LEU 8 52.956 3.422 -1.239 88 HD13 LEU 8 HD13 LEU 8 52.723 5.067 -0.611 89 HD21 LEU 8 HD21 LEU 8 55.495 3.175 -2.234 90 HD22 LEU 8 HD22 LEU 8 55.546 4.169 -3.710 91 HD23 LEU 8 HD23 LEU 8 54.140 3.127 -3.387 92 H ARG 9 HN ARG 9 50.919 5.932 -1.843 93 HA ARG 9 HA ARG 9 49.045 8.095 -2.311 94 HB2 ARG 9 HB2 ARG 9 49.608 6.992 -4.659 95 HB3 ARG 9 HB1 ARG 9 48.540 5.693 -4.091 96 HG2 ARG 9 HG2 ARG 9 46.979 7.081 -5.155 97 HG3 ARG 9 HG1 ARG 9 46.896 7.725 -3.500 98 HD2 ARG 9 HD2 ARG 9 47.084 9.551 -5.168 99 HD3 ARG 9 HD1 ARG 9 48.515 9.508 -4.113 100 HE ARG 9 HE ARG 9 48.917 7.931 -6.518 101 HH11 ARG 9 HH11 ARG 9 51.203 8.795 -6.816 102 HH12 ARG 9 HH12 ARG 9 51.265 10.464 -7.274 103 HH21 ARG 9 HH21 ARG 9 47.966 11.096 -6.413 104 HH22 ARG 9 HH22 ARG 9 49.433 11.767 -7.045 105 H ARG 10 HN ARG 10 50.057 5.879 -0.429 106 HA ARG 10 HA ARG 10 48.191 3.889 0.069 107 HB2 ARG 10 HB2 ARG 10 48.685 4.599 2.630 108 HB3 ARG 10 HB1 ARG 10 49.929 3.840 1.611 109 HG2 ARG 10 HG2 ARG 10 51.009 5.907 1.163 110 HG3 ARG 10 HG1 ARG 10 49.611 6.864 1.700 111 HD2 ARG 10 HD2 ARG 10 51.640 6.679 3.317 112 HD3 ARG 10 HD1 ARG 10 50.018 6.392 3.991 113 HE ARG 10 HE ARG 10 51.265 3.933 3.056 114 HH11 ARG 10 HH11 ARG 10 49.999 5.586 5.674 115 HH12 ARG 10 HH12 ARG 10 50.948 4.778 6.876 116 HH21 ARG 10 HH21 ARG 10 52.974 3.161 4.572 117 HH22 ARG 10 HH22 ARG 10 52.632 3.405 6.252 118 H ILE 11 HN ILE 11 47.960 6.596 2.335 119 HA ILE 11 HA ILE 11 45.031 6.350 2.317 120 HB ILE 11 HB ILE 11 46.184 6.736 4.456 121 HG12 ILE 11 HG12 ILE 11 44.923 8.657 5.292 122 HG13 ILE 11 HG11 ILE 11 44.704 9.289 3.648 123 HG21 ILE 11 HG21 ILE 11 47.122 9.351 3.196 124 HG22 ILE 11 HG22 ILE 11 48.148 7.939 3.543 125 HG23 ILE 11 HG23 ILE 11 47.399 8.846 4.878 126 HD11 ILE 11 HD1 ILE 11 43.170 7.582 3.065 127 HD12 ILE 11 HD2 ILE 11 42.747 7.931 4.755 128 HD13 ILE 11 HD3 ILE 11 43.730 6.500 4.362 129 H GLY 12 HN GLY 12 47.462 8.239 0.749 130 HA2 GLY 12 HA1 GLY 12 46.108 10.679 0.307 131 HA3 GLY 12 HA2 GLY 12 47.288 9.944 -0.802 132 H LYS 13 HN LYS 13 45.901 7.583 -1.450 133 HA LYS 13 HA LYS 13 44.318 8.389 -3.627 134 HB2 LYS 13 HB2 LYS 13 45.137 6.131 -3.470 135 HB3 LYS 13 HB1 LYS 13 44.284 5.856 -1.939 136 HG2 LYS 13 HG2 LYS 13 42.552 6.659 -4.272 137 HG3 LYS 13 HG1 LYS 13 43.308 5.059 -4.396 138 HD2 LYS 13 HD2 LYS 13 41.880 5.855 -1.831 139 HD3 LYS 13 HD1 LYS 13 40.950 5.276 -3.229 140 HE2 LYS 13 HE2 LYS 13 43.343 3.716 -2.191 141 HE3 LYS 13 HE1 LYS 13 41.730 3.522 -1.466 142 HZ1 LYS 13 HZ1 LYS 13 41.402 3.452 -4.229 143 HZ2 LYS 13 HZ2 LYS 13 41.229 2.171 -3.128 144 HZ3 LYS 13 HZ3 LYS 13 42.725 2.449 -3.883 145 H GLY 14 HN GLY 14 43.631 8.434 -0.268 146 HA2 GLY 14 HA1 GLY 14 40.685 8.493 -0.640 147 HA3 GLY 14 HA2 GLY 14 41.572 8.494 0.894 148 H VAL 15 HN VAL 15 43.373 10.662 0.403 149 HA VAL 15 HA VAL 15 41.371 12.935 0.357 150 HB VAL 15 HB VAL 15 42.366 12.642 2.570 151 HG11 VAL 15 HG11 VAL 15 45.069 13.031 1.216 152 HG12 VAL 15 HG12 VAL 15 44.434 11.463 1.766 153 HG13 VAL 15 HG13 VAL 15 44.765 12.751 2.946 154 HG21 VAL 15 HG21 VAL 15 42.003 14.961 1.545 155 HG22 VAL 15 HG22 VAL 15 43.753 14.997 1.224 156 HG23 VAL 15 HG23 VAL 15 43.158 14.887 2.898 157 H LYS 16 HN LYS 16 44.676 11.925 -0.600 158 HA LYS 16 HA LYS 16 45.523 14.319 -1.795 159 HB2 LYS 16 HB2 LYS 16 46.804 12.117 -1.550 160 HB3 LYS 16 HB1 LYS 16 45.970 11.575 -3.021 161 HG2 LYS 16 HG2 LYS 16 47.925 12.480 -3.947 162 HG3 LYS 16 HG1 LYS 16 46.852 13.894 -4.017 163 HD2 LYS 16 HD2 LYS 16 47.818 14.765 -1.924 164 HD3 LYS 16 HD1 LYS 16 48.826 13.309 -1.757 165 HE2 LYS 16 HE2 LYS 16 49.847 13.874 -4.013 166 HE3 LYS 16 HE1 LYS 16 48.982 15.427 -3.938 167 HZ1 LYS 16 HZ1 LYS 16 51.413 14.748 -2.737 168 HZ2 LYS 16 HZ2 LYS 16 50.288 14.987 -1.487 169 HZ3 LYS 16 HZ3 LYS 16 50.567 16.214 -2.629 170 H ILE 17 HN ILE 17 43.825 11.601 -3.438 171 HA ILE 17 HA ILE 17 43.371 13.189 -5.830 172 HB ILE 17 HB ILE 17 43.476 10.628 -5.682 173 HG12 ILE 17 HG12 ILE 17 40.972 11.757 -7.021 174 HG13 ILE 17 HG11 ILE 17 42.613 11.941 -7.673 175 HG21 ILE 17 HG21 ILE 17 41.561 9.392 -4.973 176 HG22 ILE 17 HG22 ILE 17 40.549 10.854 -4.882 177 HG23 ILE 17 HG23 ILE 17 41.845 10.591 -3.692 178 HD11 ILE 17 HD1 ILE 17 42.786 9.372 -7.539 179 HD12 ILE 17 HD2 ILE 17 41.702 10.037 -8.782 180 HD13 ILE 17 HD3 ILE 17 41.026 9.381 -7.274 181 H ILE 18 HN ILE 18 42.155 13.441 -2.775 182 HA ILE 18 HA ILE 18 40.336 14.551 -1.881 183 HB ILE 18 HB ILE 18 39.662 15.516 -4.692 184 HG12 ILE 18 HG12 ILE 18 41.725 16.599 -2.715 185 HG13 ILE 18 HG11 ILE 18 42.073 15.871 -4.300 186 HG21 ILE 18 HG21 ILE 18 38.116 15.928 -2.672 187 HG22 ILE 18 HG22 ILE 18 38.650 17.370 -3.565 188 HG23 ILE 18 HG23 ILE 18 39.419 16.947 -2.015 189 HD11 ILE 18 HD1 ILE 18 40.511 17.718 -5.269 190 HD12 ILE 18 HD2 ILE 18 42.130 18.206 -4.717 191 HD13 ILE 18 HD3 ILE 18 40.711 18.515 -3.691 192 H GLY 19 HN GLY 19 39.435 12.427 -1.475 193 HA2 GLY 19 HA1 GLY 19 37.473 11.352 -3.368 194 HA3 GLY 19 HA2 GLY 19 37.839 10.746 -1.741 195 H GLY 20 HN GLY 20 36.108 13.261 -3.568 196 HA2 GLY 20 HA1 GLY 20 34.741 14.497 -1.446 197 HA3 GLY 20 HA2 GLY 20 34.104 14.317 -3.093 198 H ALA 21 HN ALA 21 34.578 11.247 -2.418 199 HA ALA 21 HA ALA 21 31.777 10.781 -1.740 200 HB1 ALA 21 HB1 ALA 21 34.147 8.907 -2.044 201 HB2 ALA 21 HB2 ALA 21 32.921 9.292 -3.275 202 HB3 ALA 21 HB3 ALA 21 32.462 8.383 -1.814 203 H ALA 22 HN ALA 22 33.864 12.062 0.196 204 HA ALA 22 HA ALA 22 32.742 10.800 2.588 205 HB1 ALA 22 HB1 ALA 22 34.508 9.205 2.228 206 HB2 ALA 22 HB2 ALA 22 35.006 10.276 3.560 207 HB3 ALA 22 HB3 ALA 22 35.691 10.500 1.932 208 H LEU 23 HN LEU 23 35.230 12.941 1.180 209 HA LEU 23 HA LEU 23 35.274 14.656 3.570 210 HB2 LEU 23 HB2 LEU 23 36.541 14.761 0.814 211 HB3 LEU 23 HB1 LEU 23 36.627 16.158 1.913 212 HG LEU 23 HG LEU 23 37.724 14.807 3.626 213 HD11 LEU 23 HD11 LEU 23 36.715 12.653 3.395 214 HD12 LEU 23 HD12 LEU 23 38.420 12.411 2.952 215 HD13 LEU 23 HD13 LEU 23 37.178 12.531 1.681 216 HD21 LEU 23 HD21 LEU 23 39.034 14.194 0.943 217 HD22 LEU 23 HD22 LEU 23 39.838 14.436 2.512 218 HD23 LEU 23 HD23 LEU 23 39.052 15.807 1.694 219 H ASP 24 HN ASP 24 32.732 14.575 3.166 220 HA ASP 24 HA ASP 24 32.051 17.302 2.350 221 HB2 ASP 24 HB2 ASP 24 31.190 14.905 0.694 222 HB3 ASP 24 HB1 ASP 24 30.237 16.409 0.726 223 H HIS 25 HN HIS 25 30.630 14.031 2.810 224 HA HIS 25 HA HIS 25 28.494 15.236 4.527 225 HB2 HIS 25 HB2 HIS 25 28.868 12.399 3.484 226 HB3 HIS 25 HB1 HIS 25 27.451 13.014 4.367 227 HD1 HIS 25 HD1 HIS 25 28.475 12.330 1.030 228 HD2 HIS 25 HD2 HIS 25 26.472 15.553 2.846 229 HE1 HIS 25 HE1 HIS 25 27.252 13.605 -0.816 230 H LEU 26 HN LEU 26 30.103 15.761 6.220 231 HA LEU 26 HA LEU 26 31.508 13.633 7.588 232 HB2 LEU 26 HB2 LEU 26 30.742 16.485 8.303 233 HB3 LEU 26 HB1 LEU 26 31.554 15.425 9.480 234 HG LEU 26 HG LEU 26 33.433 15.091 7.941 235 HD11 LEU 26 HD11 LEU 26 32.452 15.139 5.771 236 HD12 LEU 26 HD12 LEU 26 33.455 16.605 5.831 237 HD13 LEU 26 HD13 LEU 26 31.692 16.723 6.053 238 HD21 LEU 26 HD21 LEU 26 32.664 18.037 8.178 239 HD22 LEU 26 HD22 LEU 26 34.310 17.405 7.934 240 HD23 LEU 26 HD23 LEU 26 33.443 17.069 9.451 Start of MODEL 84 1 H1 GLY 1 HT1 GLY 1 55.116 3.000 -3.279 2 H2 GLY 1 HT2 GLY 1 56.082 4.047 -2.352 3 H3 GLY 1 HT3 GLY 1 55.313 2.720 -1.620 4 HA2 GLY 1 HA1 GLY 1 56.643 1.186 -2.758 5 HA3 GLY 1 HA2 GLY 1 57.332 2.489 -3.747 6 H ARG 2 HN ARG 2 56.785 3.576 -0.610 7 HA ARG 2 HA ARG 2 58.188 4.007 1.175 8 HB2 ARG 2 HB2 ARG 2 58.405 1.401 1.000 9 HB3 ARG 2 HB1 ARG 2 60.010 1.733 0.313 10 HG2 ARG 2 HG2 ARG 2 60.569 3.091 2.337 11 HG3 ARG 2 HG1 ARG 2 58.981 2.679 3.027 12 HD2 ARG 2 HD2 ARG 2 59.556 0.276 2.945 13 HD3 ARG 2 HD1 ARG 2 61.138 0.673 2.232 14 HE ARG 2 HE ARG 2 61.878 1.201 4.406 15 HH11 ARG 2 HH11 ARG 2 59.425 -0.404 5.362 16 HH12 ARG 2 HH12 ARG 2 58.761 0.696 6.526 17 HH21 ARG 2 HH21 ARG 2 60.606 3.409 5.405 18 HH22 ARG 2 HH22 ARG 2 59.431 2.854 6.549 19 H ARG 3 HN ARG 3 59.052 4.232 -2.024 20 HA ARG 3 HA ARG 3 61.839 4.972 -1.797 21 HB2 ARG 3 HB2 ARG 3 60.677 4.298 -3.925 22 HB3 ARG 3 HB1 ARG 3 59.817 5.857 -3.892 23 HG2 ARG 3 HG2 ARG 3 61.917 7.084 -4.012 24 HG3 ARG 3 HG1 ARG 3 62.853 5.576 -3.861 25 HD2 ARG 3 HD2 ARG 3 60.906 6.167 -6.132 26 HD3 ARG 3 HD1 ARG 3 62.667 6.411 -6.232 27 HE ARG 3 HE ARG 3 62.124 3.724 -5.371 28 HH11 ARG 3 HH11 ARG 3 63.932 4.802 -7.643 29 HH12 ARG 3 HH12 ARG 3 63.225 4.001 -9.006 30 HH21 ARG 3 HH21 ARG 3 60.324 3.122 -7.321 31 HH22 ARG 3 HH22 ARG 3 61.182 3.050 -8.824 32 H LYS 4 HN LYS 4 58.860 6.527 -1.006 33 HA LYS 4 HA LYS 4 60.361 9.073 -0.438 34 HB2 LYS 4 HB2 LYS 4 57.534 8.982 -1.553 35 HB3 LYS 4 HB1 LYS 4 58.566 10.411 -1.300 36 HG2 LYS 4 HG2 LYS 4 60.192 9.488 -2.965 37 HG3 LYS 4 HG1 LYS 4 59.076 8.135 -3.265 38 HD2 LYS 4 HD2 LYS 4 57.304 9.799 -3.899 39 HD3 LYS 4 HD1 LYS 4 58.512 11.095 -3.728 40 HE2 LYS 4 HE2 LYS 4 58.634 8.735 -5.655 41 HE3 LYS 4 HE1 LYS 4 58.377 10.444 -6.081 42 HZ1 LYS 4 HZ1 LYS 4 60.667 9.886 -6.422 43 HZ2 LYS 4 HZ2 LYS 4 60.814 9.254 -4.851 44 HZ3 LYS 4 HZ3 LYS 4 60.572 10.920 -5.080 45 H ARG 5 HN ARG 5 59.762 6.886 1.315 46 HA ARG 5 HA ARG 5 58.797 6.490 3.386 47 HB2 ARG 5 HB2 ARG 5 58.271 9.476 3.547 48 HB3 ARG 5 HB1 ARG 5 58.662 8.344 4.865 49 HG2 ARG 5 HG2 ARG 5 60.523 9.213 2.608 50 HG3 ARG 5 HG1 ARG 5 60.642 9.684 4.319 51 HD2 ARG 5 HD2 ARG 5 60.798 7.146 4.825 52 HD3 ARG 5 HD1 ARG 5 61.098 6.947 3.080 53 HE ARG 5 HE ARG 5 62.869 8.956 4.031 54 HH11 ARG 5 HH11 ARG 5 64.884 8.434 4.959 55 HH12 ARG 5 HH12 ARG 5 65.343 6.768 5.082 56 HH21 ARG 5 HH21 ARG 5 62.290 5.572 3.951 57 HH22 ARG 5 HH22 ARG 5 63.873 5.147 4.513 58 H LYS 6 HN LYS 6 56.754 7.771 4.806 59 HA LYS 6 HA LYS 6 54.444 6.586 3.571 60 HB2 LYS 6 HB2 LYS 6 54.855 8.476 5.914 61 HB3 LYS 6 HB1 LYS 6 53.225 7.984 5.404 62 HG2 LYS 6 HG2 LYS 6 54.080 6.513 7.200 63 HG3 LYS 6 HG1 LYS 6 53.840 5.606 5.688 64 HD2 LYS 6 HD2 LYS 6 56.174 5.523 5.226 65 HD3 LYS 6 HD1 LYS 6 56.543 6.813 6.398 66 HE2 LYS 6 HE2 LYS 6 55.473 4.043 7.104 67 HE3 LYS 6 HE1 LYS 6 57.168 4.562 7.265 68 HZ1 LYS 6 HZ1 LYS 6 55.407 6.432 8.489 69 HZ2 LYS 6 HZ2 LYS 6 56.696 5.563 9.174 70 HZ3 LYS 6 HZ3 LYS 6 55.141 4.879 9.117 71 H TRP 7 HN TRP 7 53.948 7.349 1.571 72 HA TRP 7 HA TRP 7 52.527 9.879 1.468 73 HB2 TRP 7 HB2 TRP 7 54.837 10.746 1.319 74 HB3 TRP 7 HB1 TRP 7 55.148 9.683 -0.072 75 HD1 TRP 7 HD1 TRP 7 54.470 10.555 -2.382 76 HE1 TRP 7 HE1 TRP 7 53.179 12.619 -3.298 77 HE3 TRP 7 HE3 TRP 7 52.740 12.455 2.046 78 HZ2 TRP 7 HZ2 TRP 7 51.615 14.786 -2.222 79 HZ3 TRP 7 HZ3 TRP 7 51.351 14.522 2.078 80 HH2 TRP 7 HH2 TRP 7 50.788 15.688 -0.050 81 H LEU 8 HN LEU 8 54.452 8.437 -1.147 82 HA LEU 8 HA LEU 8 53.576 7.900 -3.291 83 HB2 LEU 8 HB2 LEU 8 52.705 5.485 -3.107 84 HB3 LEU 8 HB1 LEU 8 54.332 5.819 -2.479 85 HG LEU 8 HG LEU 8 52.021 6.076 -0.540 86 HD11 LEU 8 HD11 LEU 8 52.192 3.609 -0.047 87 HD12 LEU 8 HD12 LEU 8 53.118 3.423 -1.555 88 HD13 LEU 8 HD13 LEU 8 51.430 3.983 -1.611 89 HD21 LEU 8 HD21 LEU 8 54.564 6.466 -0.066 90 HD22 LEU 8 HD22 LEU 8 54.706 4.697 -0.136 91 HD23 LEU 8 HD23 LEU 8 53.651 5.459 1.080 92 H ARG 9 HN ARG 9 51.022 5.927 -2.041 93 HA ARG 9 HA ARG 9 48.897 7.882 -2.270 94 HB2 ARG 9 HB2 ARG 9 49.792 7.454 -4.718 95 HB3 ARG 9 HB1 ARG 9 48.926 5.911 -4.576 96 HG2 ARG 9 HG2 ARG 9 47.217 7.247 -5.457 97 HG3 ARG 9 HG1 ARG 9 46.925 7.494 -3.721 98 HD2 ARG 9 HD2 ARG 9 46.914 9.651 -4.927 99 HD3 ARG 9 HD1 ARG 9 48.287 9.577 -3.797 100 HE ARG 9 HE ARG 9 49.684 9.789 -5.678 101 HH11 ARG 9 HH11 ARG 9 46.496 9.214 -6.706 102 HH12 ARG 9 HH12 ARG 9 46.932 8.744 -8.314 103 HH21 ARG 9 HH21 ARG 9 50.343 8.815 -7.693 104 HH22 ARG 9 HH22 ARG 9 49.112 8.518 -8.873 105 H ARG 10 HN ARG 10 49.818 5.687 -0.522 106 HA ARG 10 HA ARG 10 48.259 3.345 -0.814 107 HB2 ARG 10 HB2 ARG 10 48.250 3.547 1.876 108 HB3 ARG 10 HB1 ARG 10 49.735 3.160 0.978 109 HG2 ARG 10 HG2 ARG 10 50.573 5.370 1.155 110 HG3 ARG 10 HG1 ARG 10 48.987 6.047 1.579 111 HD2 ARG 10 HD2 ARG 10 50.615 5.814 3.523 112 HD3 ARG 10 HD1 ARG 10 49.045 5.011 3.762 113 HE ARG 10 HE ARG 10 50.819 3.106 2.617 114 HH11 ARG 10 HH11 ARG 10 51.802 1.584 3.966 115 HH12 ARG 10 HH12 ARG 10 51.977 1.926 5.654 116 HH21 ARG 10 HH21 ARG 10 50.441 5.029 5.454 117 HH22 ARG 10 HH22 ARG 10 51.206 3.876 6.497 118 H ILE 11 HN ILE 11 47.335 5.495 1.836 119 HA ILE 11 HA ILE 11 44.488 5.042 1.184 120 HB ILE 11 HB ILE 11 45.295 4.962 3.543 121 HG12 ILE 11 HG12 ILE 11 43.475 7.379 3.120 122 HG13 ILE 11 HG11 ILE 11 42.932 5.708 2.850 123 HG21 ILE 11 HG21 ILE 11 47.051 6.768 3.165 124 HG22 ILE 11 HG22 ILE 11 46.109 6.938 4.663 125 HG23 ILE 11 HG23 ILE 11 45.738 7.964 3.258 126 HD11 ILE 11 HD1 ILE 11 42.294 6.272 5.092 127 HD12 ILE 11 HD2 ILE 11 43.891 6.965 5.451 128 HD13 ILE 11 HD3 ILE 11 43.710 5.207 5.242 129 H GLY 12 HN GLY 12 46.946 7.332 0.490 130 HA2 GLY 12 HA1 GLY 12 45.571 9.783 0.477 131 HA3 GLY 12 HA2 GLY 12 46.847 9.334 -0.677 132 H LYS 13 HN LYS 13 45.661 7.261 -2.061 133 HA LYS 13 HA LYS 13 44.213 8.494 -4.088 134 HB2 LYS 13 HB2 LYS 13 45.033 6.177 -4.226 135 HB3 LYS 13 HB1 LYS 13 43.823 5.667 -3.027 136 HG2 LYS 13 HG2 LYS 13 42.001 6.158 -4.517 137 HG3 LYS 13 HG1 LYS 13 43.072 7.020 -5.647 138 HD2 LYS 13 HD2 LYS 13 42.486 4.714 -6.436 139 HD3 LYS 13 HD1 LYS 13 44.234 4.938 -6.201 140 HE2 LYS 13 HE2 LYS 13 44.251 3.664 -4.199 141 HE3 LYS 13 HE1 LYS 13 42.490 3.816 -3.976 142 HZ1 LYS 13 HZ1 LYS 13 42.081 2.160 -5.427 143 HZ2 LYS 13 HZ2 LYS 13 43.658 1.672 -5.026 144 HZ3 LYS 13 HZ3 LYS 13 43.376 2.554 -6.449 145 H GLY 14 HN GLY 14 43.167 7.799 -0.879 146 HA2 GLY 14 HA1 GLY 14 40.279 8.069 -1.566 147 HA3 GLY 14 HA2 GLY 14 40.964 7.596 -0.001 148 H VAL 15 HN VAL 15 42.838 9.667 0.416 149 HA VAL 15 HA VAL 15 40.926 11.969 0.824 150 HB VAL 15 HB VAL 15 42.615 12.702 2.572 151 HG11 VAL 15 HG11 VAL 15 41.337 9.950 2.889 152 HG12 VAL 15 HG12 VAL 15 40.543 11.517 3.175 153 HG13 VAL 15 HG13 VAL 15 41.880 10.992 4.225 154 HG21 VAL 15 HG21 VAL 15 43.740 9.931 1.965 155 HG22 VAL 15 HG22 VAL 15 44.144 10.882 3.410 156 HG23 VAL 15 HG23 VAL 15 44.588 11.487 1.799 157 H LYS 16 HN LYS 16 44.264 11.153 -0.189 158 HA LYS 16 HA LYS 16 45.129 13.793 -0.740 159 HB2 LYS 16 HB2 LYS 16 46.523 11.685 -0.746 160 HB3 LYS 16 HB1 LYS 16 45.832 11.291 -2.332 161 HG2 LYS 16 HG2 LYS 16 47.050 14.048 -2.022 162 HG3 LYS 16 HG1 LYS 16 48.171 12.675 -2.048 163 HD2 LYS 16 HD2 LYS 16 47.090 11.910 -4.204 164 HD3 LYS 16 HD1 LYS 16 46.139 13.413 -4.201 165 HE2 LYS 16 HE2 LYS 16 49.174 13.181 -4.258 166 HE3 LYS 16 HE1 LYS 16 48.123 13.741 -5.579 167 HZ1 LYS 16 HZ1 LYS 16 47.335 15.471 -3.891 168 HZ2 LYS 16 HZ2 LYS 16 48.876 15.683 -4.574 169 HZ3 LYS 16 HZ3 LYS 16 48.719 15.067 -2.998 170 H ILE 17 HN ILE 17 43.143 11.543 -2.638 171 HA ILE 17 HA ILE 17 43.210 13.062 -5.079 172 HB ILE 17 HB ILE 17 42.431 10.643 -4.783 173 HG12 ILE 17 HG12 ILE 17 40.379 12.385 -6.229 174 HG13 ILE 17 HG11 ILE 17 42.023 12.131 -6.851 175 HG21 ILE 17 HG21 ILE 17 39.772 11.914 -4.018 176 HG22 ILE 17 HG22 ILE 17 40.911 11.254 -2.823 177 HG23 ILE 17 HG23 ILE 17 40.195 10.185 -4.050 178 HD11 ILE 17 HD1 ILE 17 39.869 10.034 -6.375 179 HD12 ILE 17 HD2 ILE 17 41.570 9.619 -6.697 180 HD13 ILE 17 HD3 ILE 17 40.621 10.498 -7.917 181 H ILE 18 HN ILE 18 42.204 14.054 -2.137 182 HA ILE 18 HA ILE 18 40.887 15.809 -1.420 183 HB ILE 18 HB ILE 18 40.416 16.550 -4.339 184 HG12 ILE 18 HG12 ILE 18 42.810 17.147 -2.539 185 HG13 ILE 18 HG11 ILE 18 42.828 16.184 -4.033 186 HG21 ILE 18 HG21 ILE 18 40.096 18.765 -3.483 187 HG22 ILE 18 HG22 ILE 18 40.759 18.326 -1.889 188 HG23 ILE 18 HG23 ILE 18 39.173 17.700 -2.400 189 HD11 ILE 18 HD1 ILE 18 42.410 19.173 -3.715 190 HD12 ILE 18 HD2 ILE 18 41.881 18.322 -5.188 191 HD13 ILE 18 HD3 ILE 18 43.599 18.319 -4.723 192 H GLY 19 HN GLY 19 39.308 14.453 -0.585 193 HA2 GLY 19 HA1 GLY 19 36.676 14.851 -1.711 194 HA3 GLY 19 HA2 GLY 19 37.229 13.181 -1.955 195 H GLY 20 HN GLY 20 38.641 14.631 0.763 196 HA2 GLY 20 HA1 GLY 20 36.520 14.187 2.677 197 HA3 GLY 20 HA2 GLY 20 37.637 12.808 2.627 198 H ALA 21 HN ALA 21 38.550 13.068 4.633 199 HA ALA 21 HA ALA 21 39.910 14.020 6.256 200 HB1 ALA 21 HB1 ALA 21 41.613 13.735 4.559 201 HB2 ALA 21 HB2 ALA 21 41.878 15.294 5.375 202 HB3 ALA 21 HB3 ALA 21 41.130 15.249 3.761 203 H ALA 22 HN ALA 22 40.267 16.825 4.128 204 HA ALA 22 HA ALA 22 39.375 18.599 6.281 205 HB1 ALA 22 HB1 ALA 22 39.967 20.381 4.783 206 HB2 ALA 22 HB2 ALA 22 39.943 19.284 3.380 207 HB3 ALA 22 HB3 ALA 22 41.208 19.116 4.622 208 H LEU 23 HN LEU 23 38.185 17.679 3.027 209 HA LEU 23 HA LEU 23 35.712 19.229 3.379 210 HB2 LEU 23 HB2 LEU 23 36.225 17.094 1.280 211 HB3 LEU 23 HB1 LEU 23 35.168 18.524 1.178 212 HG LEU 23 HG LEU 23 38.216 18.529 1.316 213 HD11 LEU 23 HD11 LEU 23 38.061 19.425 -0.965 214 HD12 LEU 23 HD12 LEU 23 36.284 19.389 -0.883 215 HD13 LEU 23 HD13 LEU 23 37.206 17.866 -0.874 216 HD21 LEU 23 HD21 LEU 23 37.494 20.484 2.494 217 HD22 LEU 23 HD22 LEU 23 36.143 20.761 1.368 218 HD23 LEU 23 HD23 LEU 23 37.819 21.042 0.837 219 H ASP 24 HN ASP 24 35.319 18.076 5.515 220 HA ASP 24 HA ASP 24 33.206 16.133 5.078 221 HB2 ASP 24 HB2 ASP 24 34.199 14.253 6.299 222 HB3 ASP 24 HB1 ASP 24 35.177 14.633 4.861 223 H HIS 25 HN HIS 25 35.113 18.281 6.927 224 HA HIS 25 HA HIS 25 33.957 17.685 9.534 225 HB2 HIS 25 HB2 HIS 25 36.135 18.820 9.284 226 HB3 HIS 25 HB1 HIS 25 35.331 20.195 8.489 227 HD1 HIS 25 HD1 HIS 25 35.353 22.060 10.158 228 HD2 HIS 25 HD2 HIS 25 34.352 18.376 11.919 229 HE1 HIS 25 HE1 HIS 25 34.703 22.528 12.584 230 H LEU 26 HN LEU 26 31.766 17.755 9.639 231 HA LEU 26 HA LEU 26 30.201 19.757 8.236 232 HB2 LEU 26 HB2 LEU 26 29.291 18.172 10.662 233 HB3 LEU 26 HB1 LEU 26 28.314 18.783 9.306 234 HG LEU 26 HG LEU 26 30.415 16.573 9.194 235 HD11 LEU 26 HD11 LEU 26 28.452 15.180 8.558 236 HD12 LEU 26 HD12 LEU 26 27.391 16.593 8.778 237 HD13 LEU 26 HD13 LEU 26 28.252 15.900 10.174 238 HD21 LEU 26 HD21 LEU 26 30.591 17.728 7.106 239 HD22 LEU 26 HD22 LEU 26 28.836 18.013 7.021 240 HD23 LEU 26 HD23 LEU 26 29.487 16.373 6.781 Start of MODEL 85 1 H1 GLY 1 HT1 GLY 1 57.962 -1.249 -5.262 2 H2 GLY 1 HT2 GLY 1 59.209 -0.359 -5.998 3 H3 GLY 1 HT3 GLY 1 58.018 -1.112 -6.950 4 HA2 GLY 1 HA1 GLY 1 57.580 1.190 -6.865 5 HA3 GLY 1 HA2 GLY 1 56.337 0.294 -5.970 6 H ARG 2 HN ARG 2 58.198 2.989 -5.905 7 HA ARG 2 HA ARG 2 57.602 3.513 -3.122 8 HB2 ARG 2 HB2 ARG 2 60.056 3.812 -2.449 9 HB3 ARG 2 HB1 ARG 2 59.474 2.135 -2.569 10 HG2 ARG 2 HG2 ARG 2 60.452 1.905 -4.799 11 HG3 ARG 2 HG1 ARG 2 60.937 3.617 -4.797 12 HD2 ARG 2 HD2 ARG 2 62.501 3.257 -2.994 13 HD3 ARG 2 HD1 ARG 2 61.882 1.614 -2.706 14 HE ARG 2 HE ARG 2 62.847 1.881 -5.419 15 HH11 ARG 2 HH11 ARG 2 63.964 1.920 -2.167 16 HH12 ARG 2 HH12 ARG 2 65.396 1.005 -2.503 17 HH21 ARG 2 HH21 ARG 2 64.633 0.544 -5.855 18 HH22 ARG 2 HH22 ARG 2 65.775 0.226 -4.592 19 H ARG 3 HN ARG 3 56.729 4.971 -5.070 20 HA ARG 3 HA ARG 3 58.334 6.889 -6.327 21 HB2 ARG 3 HB2 ARG 3 55.554 7.205 -5.130 22 HB3 ARG 3 HB1 ARG 3 56.307 8.359 -6.257 23 HG2 ARG 3 HG2 ARG 3 56.441 6.691 -8.002 24 HG3 ARG 3 HG1 ARG 3 55.949 5.400 -6.879 25 HD2 ARG 3 HD2 ARG 3 54.124 6.359 -8.445 26 HD3 ARG 3 HD1 ARG 3 53.727 6.230 -6.715 27 HE ARG 3 HE ARG 3 54.865 8.824 -7.365 28 HH11 ARG 3 HH11 ARG 3 52.423 7.869 -9.170 29 HH12 ARG 3 HH12 ARG 3 51.158 8.758 -8.392 30 HH21 ARG 3 HH21 ARG 3 53.066 9.551 -5.608 31 HH22 ARG 3 HH22 ARG 3 51.520 9.710 -6.374 32 H LYS 4 HN LYS 4 57.079 6.873 -2.987 33 HA LYS 4 HA LYS 4 59.188 8.784 -2.207 34 HB2 LYS 4 HB2 LYS 4 57.240 10.189 -3.062 35 HB3 LYS 4 HB1 LYS 4 56.280 9.528 -1.718 36 HG2 LYS 4 HG2 LYS 4 57.858 10.433 -0.083 37 HG3 LYS 4 HG1 LYS 4 58.936 10.990 -1.385 38 HD2 LYS 4 HD2 LYS 4 57.211 12.526 -2.206 39 HD3 LYS 4 HD1 LYS 4 56.060 11.921 -0.991 40 HE2 LYS 4 HE2 LYS 4 57.030 14.008 -0.179 41 HE3 LYS 4 HE1 LYS 4 57.652 12.665 0.809 42 HZ1 LYS 4 HZ1 LYS 4 59.058 13.907 -1.505 43 HZ2 LYS 4 HZ2 LYS 4 59.654 12.644 -0.537 44 HZ3 LYS 4 HZ3 LYS 4 59.414 14.188 0.129 45 H ARG 5 HN ARG 5 59.427 6.436 -1.304 46 HA ARG 5 HA ARG 5 59.205 4.957 0.495 47 HB2 ARG 5 HB2 ARG 5 59.172 7.675 1.859 48 HB3 ARG 5 HB1 ARG 5 59.383 6.132 2.722 49 HG2 ARG 5 HG2 ARG 5 61.372 5.624 1.337 50 HG3 ARG 5 HG1 ARG 5 61.163 7.166 0.472 51 HD2 ARG 5 HD2 ARG 5 61.529 8.432 2.519 52 HD3 ARG 5 HD1 ARG 5 61.558 6.937 3.486 53 HE ARG 5 HE ARG 5 63.789 8.022 2.007 54 HH11 ARG 5 HH11 ARG 5 62.588 5.422 3.796 55 HH12 ARG 5 HH12 ARG 5 63.817 4.303 3.309 56 HH21 ARG 5 HH21 ARG 5 65.216 6.447 0.968 57 HH22 ARG 5 HH22 ARG 5 65.305 4.883 1.708 58 H LYS 6 HN LYS 6 57.410 7.397 2.265 59 HA LYS 6 HA LYS 6 54.915 5.707 2.056 60 HB2 LYS 6 HB2 LYS 6 55.861 7.276 4.486 61 HB3 LYS 6 HB1 LYS 6 54.460 6.188 4.385 62 HG2 LYS 6 HG2 LYS 6 57.355 5.315 3.956 63 HG3 LYS 6 HG1 LYS 6 56.472 5.146 5.490 64 HD2 LYS 6 HD2 LYS 6 54.679 3.865 4.077 65 HD3 LYS 6 HD1 LYS 6 55.950 3.753 2.837 66 HE2 LYS 6 HE2 LYS 6 57.461 2.674 4.479 67 HE3 LYS 6 HE1 LYS 6 56.186 2.777 5.716 68 HZ1 LYS 6 HZ1 LYS 6 55.981 0.646 4.830 69 HZ2 LYS 6 HZ2 LYS 6 56.224 1.165 3.230 70 HZ3 LYS 6 HZ3 LYS 6 54.768 1.521 4.031 71 H TRP 7 HN TRP 7 53.055 7.137 3.149 72 HA TRP 7 HA TRP 7 51.632 8.923 2.784 73 HB2 TRP 7 HB2 TRP 7 53.483 10.083 4.069 74 HB3 TRP 7 HB1 TRP 7 54.153 10.601 2.505 75 HD1 TRP 7 HD1 TRP 7 50.653 10.669 4.200 76 HE1 TRP 7 HE1 TRP 7 49.527 12.960 3.702 77 HE3 TRP 7 HE3 TRP 7 54.332 12.769 1.322 78 HZ2 TRP 7 HZ2 TRP 7 50.166 15.362 2.246 79 HZ3 TRP 7 HZ3 TRP 7 54.051 15.061 0.390 80 HH2 TRP 7 HH2 TRP 7 51.975 16.357 0.848 81 H LEU 8 HN LEU 8 53.525 7.652 0.443 82 HA LEU 8 HA LEU 8 53.424 9.546 -1.671 83 HB2 LEU 8 HB2 LEU 8 53.016 7.036 -2.939 84 HB3 LEU 8 HB1 LEU 8 54.575 7.823 -2.632 85 HG LEU 8 HG LEU 8 54.628 6.678 -0.370 86 HD11 LEU 8 HD11 LEU 8 53.094 4.824 0.038 87 HD12 LEU 8 HD12 LEU 8 52.323 5.058 -1.547 88 HD13 LEU 8 HD13 LEU 8 52.120 6.275 -0.271 89 HD21 LEU 8 HD21 LEU 8 55.078 4.393 -1.378 90 HD22 LEU 8 HD22 LEU 8 55.898 5.743 -2.198 91 HD23 LEU 8 HD23 LEU 8 54.439 5.021 -2.916 92 H ARG 9 HN ARG 9 51.322 6.662 -1.816 93 HA ARG 9 HA ARG 9 48.931 8.427 -2.147 94 HB2 ARG 9 HB2 ARG 9 50.012 6.413 -4.151 95 HB3 ARG 9 HB1 ARG 9 48.292 6.859 -4.121 96 HG2 ARG 9 HG2 ARG 9 50.377 9.066 -4.187 97 HG3 ARG 9 HG1 ARG 9 50.009 8.184 -5.683 98 HD2 ARG 9 HD2 ARG 9 47.854 9.458 -3.945 99 HD3 ARG 9 HD1 ARG 9 48.634 10.295 -5.305 100 HE ARG 9 HE ARG 9 47.730 7.812 -6.301 101 HH11 ARG 9 HH11 ARG 9 45.583 7.465 -6.987 102 HH12 ARG 9 HH12 ARG 9 44.447 8.766 -6.868 103 HH21 ARG 9 HH21 ARG 9 46.642 10.886 -5.224 104 HH22 ARG 9 HH22 ARG 9 45.046 10.702 -5.870 105 H ARG 10 HN ARG 10 50.173 6.381 -0.183 106 HA ARG 10 HA ARG 10 48.766 3.963 -0.165 107 HB2 ARG 10 HB2 ARG 10 48.723 4.426 2.468 108 HB3 ARG 10 HB1 ARG 10 50.262 4.149 1.621 109 HG2 ARG 10 HG2 ARG 10 50.896 6.404 1.717 110 HG3 ARG 10 HG1 ARG 10 49.226 6.994 1.810 111 HD2 ARG 10 HD2 ARG 10 50.423 7.259 3.974 112 HD3 ARG 10 HD1 ARG 10 49.040 6.151 4.123 113 HE ARG 10 HE ARG 10 51.338 4.586 3.519 114 HH11 ARG 10 HH11 ARG 10 49.736 6.332 6.004 115 HH12 ARG 10 HH12 ARG 10 50.700 5.671 7.283 116 HH21 ARG 10 HH21 ARG 10 52.747 3.851 5.155 117 HH22 ARG 10 HH22 ARG 10 52.405 4.267 6.803 118 H ILE 11 HN ILE 11 47.654 6.330 2.209 119 HA ILE 11 HA ILE 11 44.861 5.564 1.667 120 HB ILE 11 HB ILE 11 45.669 5.898 3.997 121 HG12 ILE 11 HG12 ILE 11 43.684 8.092 3.240 122 HG13 ILE 11 HG11 ILE 11 43.260 6.366 3.253 123 HG21 ILE 11 HG21 ILE 11 47.296 7.742 3.335 124 HG22 ILE 11 HG22 ILE 11 46.347 8.068 4.804 125 HG23 ILE 11 HG23 ILE 11 45.905 8.848 3.266 126 HD11 ILE 11 HD1 ILE 11 44.127 8.106 5.593 127 HD12 ILE 11 HD2 ILE 11 44.115 6.328 5.683 128 HD13 ILE 11 HD3 ILE 11 42.602 7.215 5.389 129 H GLY 12 HN GLY 12 47.122 7.919 0.589 130 HA2 GLY 12 HA1 GLY 12 45.469 10.194 0.223 131 HA3 GLY 12 HA2 GLY 12 46.848 9.752 -0.808 132 H LYS 13 HN LYS 13 45.868 7.265 -1.744 133 HA LYS 13 HA LYS 13 44.434 8.024 -4.041 134 HB2 LYS 13 HB2 LYS 13 45.567 5.863 -3.821 135 HB3 LYS 13 HB1 LYS 13 44.421 5.367 -2.554 136 HG2 LYS 13 HG2 LYS 13 42.583 5.319 -4.097 137 HG3 LYS 13 HG1 LYS 13 43.523 6.160 -5.353 138 HD2 LYS 13 HD2 LYS 13 43.370 3.731 -5.827 139 HD3 LYS 13 HD1 LYS 13 45.052 4.218 -5.512 140 HE2 LYS 13 HE2 LYS 13 45.060 3.239 -3.350 141 HE3 LYS 13 HE1 LYS 13 43.282 3.181 -3.267 142 HZ1 LYS 13 HZ1 LYS 13 43.771 1.711 -5.453 143 HZ2 LYS 13 HZ2 LYS 13 43.597 1.065 -3.891 144 HZ3 LYS 13 HZ3 LYS 13 45.146 1.349 -4.530 145 H GLY 14 HN GLY 14 43.372 7.862 -0.806 146 HA2 GLY 14 HA1 GLY 14 40.493 7.585 -1.587 147 HA3 GLY 14 HA2 GLY 14 41.163 7.417 0.045 148 H VAL 15 HN VAL 15 42.771 9.747 0.177 149 HA VAL 15 HA VAL 15 40.579 11.821 0.252 150 HB VAL 15 HB VAL 15 42.116 12.987 1.894 151 HG11 VAL 15 HG11 VAL 15 41.297 10.141 2.628 152 HG12 VAL 15 HG12 VAL 15 40.196 11.538 2.581 153 HG13 VAL 15 HG13 VAL 15 41.533 11.496 3.755 154 HG21 VAL 15 HG21 VAL 15 43.875 11.541 2.954 155 HG22 VAL 15 HG22 VAL 15 44.245 11.942 1.262 156 HG23 VAL 15 HG23 VAL 15 43.609 10.331 1.676 157 H LYS 16 HN LYS 16 43.983 11.265 -0.694 158 HA LYS 16 HA LYS 16 44.385 13.967 -1.647 159 HB2 LYS 16 HB2 LYS 16 46.238 12.428 -1.043 160 HB3 LYS 16 HB1 LYS 16 45.822 11.402 -2.437 161 HG2 LYS 16 HG2 LYS 16 46.330 13.179 -3.996 162 HG3 LYS 16 HG1 LYS 16 46.503 14.362 -2.676 163 HD2 LYS 16 HD2 LYS 16 48.444 13.107 -1.794 164 HD3 LYS 16 HD1 LYS 16 48.272 11.914 -3.103 165 HE2 LYS 16 HE2 LYS 16 49.980 13.474 -3.794 166 HE3 LYS 16 HE1 LYS 16 48.525 13.836 -4.753 167 HZ1 LYS 16 HZ1 LYS 16 48.224 15.797 -3.712 168 HZ2 LYS 16 HZ2 LYS 16 49.890 15.677 -3.401 169 HZ3 LYS 16 HZ3 LYS 16 48.766 15.232 -2.207 170 H ILE 17 HN ILE 17 42.997 11.047 -3.032 171 HA ILE 17 HA ILE 17 43.264 11.535 -5.774 172 HB ILE 17 HB ILE 17 42.156 9.532 -4.759 173 HG12 ILE 17 HG12 ILE 17 40.398 10.975 -6.797 174 HG13 ILE 17 HG11 ILE 17 41.933 10.175 -7.197 175 HG21 ILE 17 HG21 ILE 17 39.900 9.614 -3.967 176 HG22 ILE 17 HG22 ILE 17 39.661 11.267 -4.580 177 HG23 ILE 17 HG23 ILE 17 40.725 10.979 -3.183 178 HD11 ILE 17 HD1 ILE 17 39.370 8.908 -6.159 179 HD12 ILE 17 HD2 ILE 17 40.932 8.055 -6.119 180 HD13 ILE 17 HD3 ILE 17 40.234 8.564 -7.675 181 H ILE 18 HN ILE 18 41.502 13.398 -3.425 182 HA ILE 18 HA ILE 18 40.770 15.318 -5.542 183 HB ILE 18 HB ILE 18 38.809 13.806 -5.577 184 HG12 ILE 18 HG12 ILE 18 37.042 15.464 -5.100 185 HG13 ILE 18 HG11 ILE 18 38.173 16.431 -4.134 186 HG21 ILE 18 HG21 ILE 18 37.516 13.296 -3.648 187 HG22 ILE 18 HG22 ILE 18 38.310 14.554 -2.672 188 HG23 ILE 18 HG23 ILE 18 39.202 13.082 -3.126 189 HD11 ILE 18 HD1 ILE 18 38.857 15.760 -7.015 190 HD12 ILE 18 HD2 ILE 18 39.382 17.148 -6.027 191 HD13 ILE 18 HD3 ILE 18 37.722 17.083 -6.660 192 H GLY 19 HN GLY 19 40.380 14.374 -2.098 193 HA2 GLY 19 HA1 GLY 19 41.773 16.488 -0.976 194 HA3 GLY 19 HA2 GLY 19 40.149 17.152 -1.239 195 H GLY 20 HN GLY 20 38.899 14.468 -0.861 196 HA2 GLY 20 HA1 GLY 20 38.245 13.059 0.884 197 HA3 GLY 20 HA2 GLY 20 39.543 13.714 1.899 198 H ALA 21 HN ALA 21 39.036 16.360 2.053 199 HA ALA 21 HA ALA 21 37.069 16.561 4.042 200 HB1 ALA 21 HB1 ALA 21 38.760 18.275 3.692 201 HB2 ALA 21 HB2 ALA 21 37.140 19.011 3.605 202 HB3 ALA 21 HB3 ALA 21 38.055 18.690 2.112 203 H ALA 22 HN ALA 22 36.772 17.310 0.547 204 HA ALA 22 HA ALA 22 33.940 17.969 0.788 205 HB1 ALA 22 HB1 ALA 22 33.999 18.058 -1.658 206 HB2 ALA 22 HB2 ALA 22 35.604 17.289 -1.662 207 HB3 ALA 22 HB3 ALA 22 35.397 18.916 -0.971 208 H LEU 23 HN LEU 23 35.854 15.114 -0.110 209 HA LEU 23 HA LEU 23 33.475 13.584 -0.909 210 HB2 LEU 23 HB2 LEU 23 35.864 13.295 -1.815 211 HB3 LEU 23 HB1 LEU 23 36.243 12.508 -0.268 212 HG LEU 23 HG LEU 23 34.090 11.032 -0.803 213 HD11 LEU 23 HD11 LEU 23 33.320 12.228 -2.793 214 HD12 LEU 23 HD12 LEU 23 33.899 10.622 -3.284 215 HD13 LEU 23 HD13 LEU 23 34.915 12.055 -3.563 216 HD21 LEU 23 HD21 LEU 23 36.400 10.160 -0.654 217 HD22 LEU 23 HD22 LEU 23 36.718 10.696 -2.321 218 HD23 LEU 23 HD23 LEU 23 35.528 9.409 -2.011 219 H ASP 24 HN ASP 24 32.802 14.514 1.494 220 HA ASP 24 HA ASP 24 32.541 12.059 3.059 221 HB2 ASP 24 HB2 ASP 24 34.814 12.888 3.751 222 HB3 ASP 24 HB1 ASP 24 34.040 14.383 4.329 223 H HIS 25 HN HIS 25 32.520 15.623 3.582 224 HA HIS 25 HA HIS 25 30.847 16.982 4.452 225 HB2 HIS 25 HB2 HIS 25 29.866 16.432 2.235 226 HB3 HIS 25 HB1 HIS 25 29.044 15.032 2.963 227 HD1 HIS 25 HD1 HIS 25 29.129 17.646 5.454 228 HD2 HIS 25 HD2 HIS 25 26.706 16.794 2.123 229 HE1 HIS 25 HE1 HIS 25 26.971 18.986 5.719 230 H LEU 26 HN LEU 26 31.687 15.589 6.466 231 HA LEU 26 HA LEU 26 29.896 13.715 7.648 232 HB2 LEU 26 HB2 LEU 26 32.358 14.469 8.271 233 HB3 LEU 26 HB1 LEU 26 31.539 15.643 9.312 234 HG LEU 26 HG LEU 26 31.991 13.731 10.678 235 HD11 LEU 26 HD11 LEU 26 29.676 14.749 10.822 236 HD12 LEU 26 HD12 LEU 26 29.806 13.085 11.431 237 HD13 LEU 26 HD13 LEU 26 29.083 13.390 9.838 238 HD21 LEU 26 HD21 LEU 26 32.218 12.172 8.560 239 HD22 LEU 26 HD22 LEU 26 30.496 11.831 8.830 240 HD23 LEU 26 HD23 LEU 26 31.682 11.469 10.098 Start of MODEL 86 1 H1 GLY 1 HT1 GLY 1 62.862 15.107 1.090 2 H2 GLY 1 HT2 GLY 1 63.053 14.781 -0.567 3 H3 GLY 1 HT3 GLY 1 64.413 14.888 0.444 4 HA2 GLY 1 HA1 GLY 1 63.128 12.637 -0.278 5 HA3 GLY 1 HA2 GLY 1 64.287 12.816 1.054 6 H ARG 2 HN ARG 2 60.825 13.248 0.245 7 HA ARG 2 HA ARG 2 60.003 11.710 2.557 8 HB2 ARG 2 HB2 ARG 2 60.690 13.837 3.684 9 HB3 ARG 2 HB1 ARG 2 59.493 14.707 2.694 10 HG2 ARG 2 HG2 ARG 2 57.671 13.391 3.641 11 HG3 ARG 2 HG1 ARG 2 58.826 12.367 4.530 12 HD2 ARG 2 HD2 ARG 2 58.571 15.380 4.919 13 HD3 ARG 2 HD1 ARG 2 57.765 14.171 5.947 14 HE ARG 2 HE ARG 2 60.573 13.583 5.813 15 HH11 ARG 2 HH11 ARG 2 61.130 13.497 8.115 16 HH12 ARG 2 HH12 ARG 2 60.867 14.949 9.022 17 HH21 ARG 2 HH21 ARG 2 59.008 16.484 6.529 18 HH22 ARG 2 HH22 ARG 2 59.664 16.640 8.125 19 H ARG 3 HN ARG 3 59.360 13.904 -0.101 20 HA ARG 3 HA ARG 3 56.467 13.483 -0.083 21 HB2 ARG 3 HB2 ARG 3 58.393 14.615 -2.147 22 HB3 ARG 3 HB1 ARG 3 56.629 14.548 -2.371 23 HG2 ARG 3 HG2 ARG 3 56.288 15.909 -0.355 24 HG3 ARG 3 HG1 ARG 3 58.041 15.923 -0.043 25 HD2 ARG 3 HD2 ARG 3 58.469 17.186 -2.058 26 HD3 ARG 3 HD1 ARG 3 56.789 16.983 -2.610 27 HE ARG 3 HE ARG 3 56.257 18.852 -1.284 28 HH11 ARG 3 HH11 ARG 3 59.502 18.545 -0.912 29 HH12 ARG 3 HH12 ARG 3 59.583 19.104 0.725 30 HH21 ARG 3 HH21 ARG 3 56.150 19.016 1.204 31 HH22 ARG 3 HH22 ARG 3 57.685 19.370 1.923 32 H LYS 4 HN LYS 4 57.858 11.012 0.065 33 HA LYS 4 HA LYS 4 56.550 9.629 -2.115 34 HB2 LYS 4 HB2 LYS 4 58.721 10.591 -3.164 35 HB3 LYS 4 HB1 LYS 4 59.579 9.405 -2.160 36 HG2 LYS 4 HG2 LYS 4 59.273 8.151 -4.116 37 HG3 LYS 4 HG1 LYS 4 57.812 7.690 -3.214 38 HD2 LYS 4 HD2 LYS 4 56.500 9.390 -4.443 39 HD3 LYS 4 HD1 LYS 4 57.964 9.915 -5.305 40 HE2 LYS 4 HE2 LYS 4 56.740 8.399 -6.754 41 HE3 LYS 4 HE1 LYS 4 58.204 7.559 -6.185 42 HZ1 LYS 4 HZ1 LYS 4 56.260 6.141 -6.005 43 HZ2 LYS 4 HZ2 LYS 4 55.471 7.288 -5.029 44 HZ3 LYS 4 HZ3 LYS 4 56.866 6.499 -4.462 45 H ARG 5 HN ARG 5 58.526 9.788 0.732 46 HA ARG 5 HA ARG 5 59.001 7.012 1.177 47 HB2 ARG 5 HB2 ARG 5 58.484 9.262 3.160 48 HB3 ARG 5 HB1 ARG 5 59.124 7.661 3.591 49 HG2 ARG 5 HG2 ARG 5 60.431 9.533 1.564 50 HG3 ARG 5 HG1 ARG 5 60.895 9.453 3.275 51 HD2 ARG 5 HD2 ARG 5 61.145 6.840 2.769 52 HD3 ARG 5 HD1 ARG 5 61.313 7.406 1.089 53 HE ARG 5 HE ARG 5 63.034 9.009 2.645 54 HH11 ARG 5 HH11 ARG 5 64.778 7.919 3.912 55 HH12 ARG 5 HH12 ARG 5 65.480 6.532 3.149 56 HH21 ARG 5 HH21 ARG 5 62.981 6.250 0.761 57 HH22 ARG 5 HH22 ARG 5 64.463 5.587 1.365 58 H LYS 6 HN LYS 6 56.468 9.047 2.711 59 HA LYS 6 HA LYS 6 54.518 6.805 2.411 60 HB2 LYS 6 HB2 LYS 6 55.023 8.122 5.106 61 HB3 LYS 6 HB1 LYS 6 53.967 6.735 4.745 62 HG2 LYS 6 HG2 LYS 6 56.029 5.478 3.968 63 HG3 LYS 6 HG1 LYS 6 57.007 6.827 4.593 64 HD2 LYS 6 HD2 LYS 6 55.907 6.499 6.840 65 HD3 LYS 6 HD1 LYS 6 55.116 5.045 6.185 66 HE2 LYS 6 HE2 LYS 6 57.276 4.006 5.735 67 HE3 LYS 6 HE1 LYS 6 58.131 5.491 6.216 68 HZ1 LYS 6 HZ1 LYS 6 57.592 5.183 8.425 69 HZ2 LYS 6 HZ2 LYS 6 57.855 3.584 7.914 70 HZ3 LYS 6 HZ3 LYS 6 56.271 4.173 8.093 71 H TRP 7 HN TRP 7 54.248 8.830 0.838 72 HA TRP 7 HA TRP 7 51.871 10.219 1.856 73 HB2 TRP 7 HB2 TRP 7 54.396 11.772 1.153 74 HB3 TRP 7 HB1 TRP 7 52.777 12.498 1.297 75 HD1 TRP 7 HD1 TRP 7 55.655 11.133 3.339 76 HE1 TRP 7 HE1 TRP 7 55.229 11.531 5.873 77 HE3 TRP 7 HE3 TRP 7 50.786 12.700 3.101 78 HZ2 TRP 7 HZ2 TRP 7 53.053 12.414 7.540 79 HZ3 TRP 7 HZ3 TRP 7 49.554 13.315 5.177 80 HH2 TRP 7 HH2 TRP 7 50.682 13.173 7.393 81 H LEU 8 HN LEU 8 53.578 8.659 -0.454 82 HA LEU 8 HA LEU 8 53.237 10.037 -2.865 83 HB2 LEU 8 HB2 LEU 8 52.783 7.609 -3.806 84 HB3 LEU 8 HB1 LEU 8 54.363 8.003 -3.105 85 HG LEU 8 HG LEU 8 52.340 7.010 -1.109 86 HD11 LEU 8 HD11 LEU 8 52.722 4.616 -1.782 87 HD12 LEU 8 HD12 LEU 8 53.431 5.202 -3.306 88 HD13 LEU 8 HD13 LEU 8 51.721 5.530 -2.935 89 HD21 LEU 8 HD21 LEU 8 54.245 5.885 -0.182 90 HD22 LEU 8 HD22 LEU 8 54.852 7.461 -0.741 91 HD23 LEU 8 HD23 LEU 8 55.154 6.000 -1.707 92 H ARG 9 HN ARG 9 50.996 7.326 -2.270 93 HA ARG 9 HA ARG 9 48.646 9.078 -2.345 94 HB2 ARG 9 HB2 ARG 9 47.727 8.007 -4.447 95 HB3 ARG 9 HB1 ARG 9 49.065 9.143 -4.701 96 HG2 ARG 9 HG2 ARG 9 49.548 7.242 -6.080 97 HG3 ARG 9 HG1 ARG 9 50.645 7.132 -4.693 98 HD2 ARG 9 HD2 ARG 9 49.521 5.284 -3.781 99 HD3 ARG 9 HD1 ARG 9 47.973 5.708 -4.551 100 HE ARG 9 HE ARG 9 48.643 4.356 -6.346 101 HH11 ARG 9 HH11 ARG 9 51.085 3.876 -4.278 102 HH12 ARG 9 HH12 ARG 9 52.370 3.824 -5.438 103 HH21 ARG 9 HH21 ARG 9 50.427 5.045 -8.039 104 HH22 ARG 9 HH22 ARG 9 51.997 4.486 -7.568 105 H ARG 10 HN ARG 10 50.051 6.736 -0.897 106 HA ARG 10 HA ARG 10 48.638 4.346 -1.095 107 HB2 ARG 10 HB2 ARG 10 48.810 4.459 1.594 108 HB3 ARG 10 HB1 ARG 10 50.253 4.253 0.577 109 HG2 ARG 10 HG2 ARG 10 50.891 6.526 0.782 110 HG3 ARG 10 HG1 ARG 10 49.276 7.034 1.327 111 HD2 ARG 10 HD2 ARG 10 51.151 6.839 3.120 112 HD3 ARG 10 HD1 ARG 10 49.577 6.093 3.484 113 HE ARG 10 HE ARG 10 51.451 4.249 2.197 114 HH11 ARG 10 HH11 ARG 10 51.037 5.926 5.149 115 HH12 ARG 10 HH12 ARG 10 51.305 4.535 6.145 116 HH21 ARG 10 HH21 ARG 10 51.522 2.333 3.477 117 HH22 ARG 10 HH22 ARG 10 51.581 2.502 5.199 118 H ILE 11 HN ILE 11 47.694 6.300 1.702 119 HA ILE 11 HA ILE 11 44.899 5.510 1.318 120 HB ILE 11 HB ILE 11 45.803 5.665 3.599 121 HG12 ILE 11 HG12 ILE 11 44.106 7.082 4.646 122 HG13 ILE 11 HG11 ILE 11 43.863 7.985 3.138 123 HG21 ILE 11 HG21 ILE 11 46.502 7.843 4.538 124 HG22 ILE 11 HG22 ILE 11 46.239 8.614 2.956 125 HG23 ILE 11 HG23 ILE 11 47.517 7.390 3.149 126 HD11 ILE 11 HD1 ILE 11 42.772 6.168 2.081 127 HD12 ILE 11 HD2 ILE 11 42.176 6.065 3.753 128 HD13 ILE 11 HD3 ILE 11 43.468 4.973 3.201 129 H GLY 12 HN GLY 12 46.958 8.112 0.380 130 HA2 GLY 12 HA1 GLY 12 45.118 10.266 0.256 131 HA3 GLY 12 HA2 GLY 12 46.522 10.047 -0.811 132 H LYS 13 HN LYS 13 45.729 7.576 -1.985 133 HA LYS 13 HA LYS 13 44.277 8.424 -4.223 134 HB2 LYS 13 HB2 LYS 13 45.486 6.290 -4.138 135 HB3 LYS 13 HB1 LYS 13 44.329 5.661 -2.941 136 HG2 LYS 13 HG2 LYS 13 42.523 5.697 -4.532 137 HG3 LYS 13 HG1 LYS 13 43.485 6.636 -5.698 138 HD2 LYS 13 HD2 LYS 13 43.371 4.222 -6.313 139 HD3 LYS 13 HD1 LYS 13 45.038 4.745 -5.981 140 HE2 LYS 13 HE2 LYS 13 45.100 3.638 -3.888 141 HE3 LYS 13 HE1 LYS 13 43.325 3.536 -3.780 142 HZ1 LYS 13 HZ1 LYS 13 44.836 1.509 -4.547 143 HZ2 LYS 13 HZ2 LYS 13 44.591 2.230 -6.066 144 HZ3 LYS 13 HZ3 LYS 13 43.261 1.743 -5.129 145 H GLY 14 HN GLY 14 43.166 7.871 -1.022 146 HA2 GLY 14 HA1 GLY 14 40.319 7.571 -1.881 147 HA3 GLY 14 HA2 GLY 14 40.968 7.328 -0.249 148 H VAL 15 HN VAL 15 42.447 9.694 0.099 149 HA VAL 15 HA VAL 15 40.174 11.673 0.238 150 HB VAL 15 HB VAL 15 41.618 12.790 2.003 151 HG11 VAL 15 HG11 VAL 15 40.788 9.890 2.465 152 HG12 VAL 15 HG12 VAL 15 39.731 11.317 2.590 153 HG13 VAL 15 HG13 VAL 15 41.071 11.098 3.741 154 HG21 VAL 15 HG21 VAL 15 43.802 11.866 1.411 155 HG22 VAL 15 HG22 VAL 15 43.209 10.206 1.657 156 HG23 VAL 15 HG23 VAL 15 43.371 11.308 3.042 157 H LYS 16 HN LYS 16 43.652 11.353 -0.568 158 HA LYS 16 HA LYS 16 44.067 14.080 -1.288 159 HB2 LYS 16 HB2 LYS 16 45.842 12.312 -0.995 160 HB3 LYS 16 HB1 LYS 16 45.365 11.651 -2.578 161 HG2 LYS 16 HG2 LYS 16 45.836 13.857 -3.630 162 HG3 LYS 16 HG1 LYS 16 46.345 14.492 -2.047 163 HD2 LYS 16 HD2 LYS 16 48.195 12.947 -1.929 164 HD3 LYS 16 HD1 LYS 16 47.610 12.048 -3.350 165 HE2 LYS 16 HE2 LYS 16 48.029 13.957 -4.803 166 HE3 LYS 16 HE1 LYS 16 48.446 14.978 -3.406 167 HZ1 LYS 16 HZ1 LYS 16 50.483 14.272 -4.256 168 HZ2 LYS 16 HZ2 LYS 16 49.945 12.684 -4.531 169 HZ3 LYS 16 HZ3 LYS 16 50.219 13.227 -2.945 170 H ILE 17 HN ILE 17 42.854 11.291 -3.150 171 HA ILE 17 HA ILE 17 42.855 12.387 -5.728 172 HB ILE 17 HB ILE 17 42.125 10.060 -5.148 173 HG12 ILE 17 HG12 ILE 17 40.053 11.653 -6.732 174 HG13 ILE 17 HG11 ILE 17 41.632 11.133 -7.368 175 HG21 ILE 17 HG21 ILE 17 40.625 10.906 -3.223 176 HG22 ILE 17 HG22 ILE 17 39.962 9.610 -4.245 177 HG23 ILE 17 HG23 ILE 17 39.422 11.290 -4.479 178 HD11 ILE 17 HD1 ILE 17 40.930 8.737 -6.703 179 HD12 ILE 17 HD2 ILE 17 40.086 9.463 -8.091 180 HD13 ILE 17 HD3 ILE 17 39.289 9.397 -6.504 181 H ILE 18 HN ILE 18 40.454 12.845 -3.115 182 HA ILE 18 HA ILE 18 38.697 14.492 -4.724 183 HB ILE 18 HB ILE 18 38.958 14.579 -1.687 184 HG12 ILE 18 HG12 ILE 18 37.471 12.583 -3.456 185 HG13 ILE 18 HG11 ILE 18 38.838 12.224 -2.376 186 HG21 ILE 18 HG21 ILE 18 36.484 14.826 -3.446 187 HG22 ILE 18 HG22 ILE 18 37.476 16.234 -2.998 188 HG23 ILE 18 HG23 ILE 18 36.667 15.278 -1.735 189 HD11 ILE 18 HD1 ILE 18 37.342 13.201 -0.480 190 HD12 ILE 18 HD2 ILE 18 36.930 11.591 -1.116 191 HD13 ILE 18 HD3 ILE 18 36.001 13.015 -1.637 192 H GLY 19 HN GLY 19 40.756 15.389 -1.919 193 HA2 GLY 19 HA1 GLY 19 42.162 17.483 -3.163 194 HA3 GLY 19 HA2 GLY 19 40.659 18.194 -2.539 195 H GLY 20 HN GLY 20 42.916 15.670 -1.333 196 HA2 GLY 20 HA1 GLY 20 44.315 15.796 0.560 197 HA3 GLY 20 HA2 GLY 20 43.679 17.414 0.933 198 H ALA 21 HN ALA 21 41.026 17.059 1.085 199 HA ALA 21 HA ALA 21 40.104 14.793 2.554 200 HB1 ALA 21 HB1 ALA 21 41.578 15.361 4.341 201 HB2 ALA 21 HB2 ALA 21 39.972 15.956 4.822 202 HB3 ALA 21 HB3 ALA 21 41.194 17.091 4.197 203 H ALA 22 HN ALA 22 39.374 16.772 0.481 204 HA ALA 22 HA ALA 22 37.494 18.016 -0.120 205 HB1 ALA 22 HB1 ALA 22 35.406 17.474 0.855 206 HB2 ALA 22 HB2 ALA 22 36.136 17.082 2.429 207 HB3 ALA 22 HB3 ALA 22 36.360 15.988 1.044 208 H LEU 23 HN LEU 23 39.639 19.115 1.224 209 HA LEU 23 HA LEU 23 40.285 20.988 2.406 210 HB2 LEU 23 HB2 LEU 23 37.425 21.716 1.661 211 HB3 LEU 23 HB1 LEU 23 38.414 22.807 2.656 212 HG LEU 23 HG LEU 23 40.116 22.939 0.912 213 HD11 LEU 23 HD11 LEU 23 40.112 20.741 -0.041 214 HD12 LEU 23 HD12 LEU 23 39.568 21.820 -1.346 215 HD13 LEU 23 HD13 LEU 23 38.383 20.838 -0.450 216 HD21 LEU 23 HD21 LEU 23 37.342 23.233 -0.325 217 HD22 LEU 23 HD22 LEU 23 38.821 24.097 -0.811 218 HD23 LEU 23 HD23 LEU 23 38.084 24.416 0.778 219 H ASP 24 HN ASP 24 38.949 18.559 3.562 220 HA ASP 24 HA ASP 24 38.065 17.804 5.578 221 HB2 ASP 24 HB2 ASP 24 39.305 18.684 7.557 222 HB3 ASP 24 HB1 ASP 24 40.361 18.220 6.191 223 H HIS 25 HN HIS 25 36.466 19.655 4.250 224 HA HIS 25 HA HIS 25 35.447 21.813 5.700 225 HB2 HIS 25 HB2 HIS 25 34.743 21.184 3.420 226 HB3 HIS 25 HB1 HIS 25 33.927 19.740 4.064 227 HD1 HIS 25 HD1 HIS 25 31.471 20.197 3.946 228 HD2 HIS 25 HD2 HIS 25 33.634 23.541 5.293 229 HE1 HIS 25 HE1 HIS 25 29.771 21.985 4.612 230 H LEU 26 HN LEU 26 34.138 22.118 7.424 231 HA LEU 26 HA LEU 26 33.836 19.934 9.303 232 HB2 LEU 26 HB2 LEU 26 32.334 22.573 9.382 233 HB3 LEU 26 HB1 LEU 26 32.828 21.541 10.744 234 HG LEU 26 HG LEU 26 34.703 23.064 8.878 235 HD11 LEU 26 HD11 LEU 26 34.105 23.457 11.841 236 HD12 LEU 26 HD12 LEU 26 33.394 24.439 10.537 237 HD13 LEU 26 HD13 LEU 26 35.152 24.468 10.817 238 HD21 LEU 26 HD21 LEU 26 35.867 21.088 9.559 239 HD22 LEU 26 HD22 LEU 26 35.170 21.143 11.197 240 HD23 LEU 26 HD23 LEU 26 36.395 22.339 10.707 Start of MODEL 87 1 H1 GLY 1 HT1 GLY 1 54.525 3.951 -7.794 2 H2 GLY 1 HT2 GLY 1 56.115 4.535 -7.655 3 H3 GLY 1 HT3 GLY 1 54.817 5.620 -7.817 4 HA2 GLY 1 HA1 GLY 1 54.331 5.592 -5.699 5 HA3 GLY 1 HA2 GLY 1 54.518 3.829 -5.626 6 H ARG 2 HN ARG 2 57.221 3.823 -6.721 7 HA ARG 2 HA ARG 2 58.662 4.084 -4.251 8 HB2 ARG 2 HB2 ARG 2 59.637 3.854 -7.126 9 HB3 ARG 2 HB1 ARG 2 60.678 3.709 -5.688 10 HG2 ARG 2 HG2 ARG 2 59.427 1.779 -4.899 11 HG3 ARG 2 HG1 ARG 2 58.219 1.979 -6.192 12 HD2 ARG 2 HD2 ARG 2 59.752 0.217 -6.864 13 HD3 ARG 2 HD1 ARG 2 60.076 1.645 -7.876 14 HE ARG 2 HE ARG 2 61.797 1.807 -5.628 15 HH11 ARG 2 HH11 ARG 2 61.139 -0.259 -8.311 16 HH12 ARG 2 HH12 ARG 2 62.779 -0.791 -8.473 17 HH21 ARG 2 HH21 ARG 2 63.946 1.137 -5.838 18 HH22 ARG 2 HH22 ARG 2 64.368 -0.001 -7.073 19 H ARG 3 HN ARG 3 57.480 6.461 -6.253 20 HA ARG 3 HA ARG 3 59.644 8.293 -6.494 21 HB2 ARG 3 HB2 ARG 3 56.659 8.769 -6.143 22 HB3 ARG 3 HB1 ARG 3 57.832 10.038 -6.572 23 HG2 ARG 3 HG2 ARG 3 58.522 8.666 -8.559 24 HG3 ARG 3 HG1 ARG 3 57.236 7.502 -8.158 25 HD2 ARG 3 HD2 ARG 3 56.478 9.123 -9.879 26 HD3 ARG 3 HD1 ARG 3 55.539 9.288 -8.377 27 HE ARG 3 HE ARG 3 56.359 11.489 -8.261 28 HH11 ARG 3 HH11 ARG 3 58.504 12.503 -7.794 29 HH12 ARG 3 HH12 ARG 3 59.642 12.437 -9.096 30 HH21 ARG 3 HH21 ARG 3 57.845 10.084 -10.901 31 HH22 ARG 3 HH22 ARG 3 59.270 11.068 -10.855 32 H LYS 4 HN LYS 4 57.397 7.621 -3.825 33 HA LYS 4 HA LYS 4 59.111 9.354 -2.044 34 HB2 LYS 4 HB2 LYS 4 56.081 9.106 -2.129 35 HB3 LYS 4 HB1 LYS 4 56.975 9.825 -0.771 36 HG2 LYS 4 HG2 LYS 4 57.927 11.535 -2.204 37 HG3 LYS 4 HG1 LYS 4 57.262 10.762 -3.660 38 HD2 LYS 4 HD2 LYS 4 55.360 11.599 -1.441 39 HD3 LYS 4 HD1 LYS 4 56.009 12.841 -2.535 40 HE2 LYS 4 HE2 LYS 4 55.137 11.647 -4.487 41 HE3 LYS 4 HE1 LYS 4 54.577 10.307 -3.460 42 HZ1 LYS 4 HZ1 LYS 4 53.105 11.839 -2.320 43 HZ2 LYS 4 HZ2 LYS 4 52.787 11.851 -3.988 44 HZ3 LYS 4 HZ3 LYS 4 53.649 13.130 -3.276 45 H ARG 5 HN ARG 5 59.692 8.486 -0.130 46 HA ARG 5 HA ARG 5 59.734 5.716 0.259 47 HB2 ARG 5 HB2 ARG 5 59.731 7.953 2.320 48 HB3 ARG 5 HB1 ARG 5 60.129 6.257 2.686 49 HG2 ARG 5 HG2 ARG 5 61.965 6.316 1.034 50 HG3 ARG 5 HG1 ARG 5 61.560 8.003 0.633 51 HD2 ARG 5 HD2 ARG 5 63.443 7.909 2.237 52 HD3 ARG 5 HD1 ARG 5 62.015 8.670 2.979 53 HE ARG 5 HE ARG 5 62.121 5.800 3.474 54 HH11 ARG 5 HH11 ARG 5 64.356 8.174 4.190 55 HH12 ARG 5 HH12 ARG 5 64.226 8.036 5.911 56 HH21 ARG 5 HH21 ARG 5 61.476 5.928 5.801 57 HH22 ARG 5 HH22 ARG 5 62.595 6.766 6.824 58 H LYS 6 HN LYS 6 57.748 7.854 2.343 59 HA LYS 6 HA LYS 6 55.419 6.015 2.009 60 HB2 LYS 6 HB2 LYS 6 56.522 6.721 4.757 61 HB3 LYS 6 HB1 LYS 6 55.167 5.630 4.374 62 HG2 LYS 6 HG2 LYS 6 56.810 4.200 3.067 63 HG3 LYS 6 HG1 LYS 6 58.115 5.215 3.727 64 HD2 LYS 6 HD2 LYS 6 57.499 4.611 6.011 65 HD3 LYS 6 HD1 LYS 6 56.080 3.709 5.427 66 HE2 LYS 6 HE2 LYS 6 58.925 3.041 4.570 67 HE3 LYS 6 HE1 LYS 6 58.137 2.290 5.979 68 HZ1 LYS 6 HZ1 LYS 6 57.329 0.842 4.509 69 HZ2 LYS 6 HZ2 LYS 6 57.724 1.814 3.172 70 HZ3 LYS 6 HZ3 LYS 6 56.272 2.073 4.016 71 H TRP 7 HN TRP 7 54.757 7.986 0.851 72 HA TRP 7 HA TRP 7 53.178 9.681 2.643 73 HB2 TRP 7 HB2 TRP 7 55.407 10.810 2.717 74 HB3 TRP 7 HB1 TRP 7 55.347 10.983 0.946 75 HD1 TRP 7 HD1 TRP 7 53.655 12.726 -0.069 76 HE1 TRP 7 HE1 TRP 7 52.299 14.703 0.936 77 HE3 TRP 7 HE3 TRP 7 54.140 11.593 4.900 78 HZ2 TRP 7 HZ2 TRP 7 51.545 15.638 3.554 79 HZ3 TRP 7 HZ3 TRP 7 53.093 13.041 6.633 80 HH2 TRP 7 HH2 TRP 7 51.797 15.061 5.965 81 H LEU 8 HN LEU 8 53.916 8.185 -0.280 82 HA LEU 8 HA LEU 8 52.610 9.820 -2.188 83 HB2 LEU 8 HB2 LEU 8 52.400 7.815 -3.545 84 HB3 LEU 8 HB1 LEU 8 53.976 7.812 -2.732 85 HG LEU 8 HG LEU 8 51.515 6.278 -1.755 86 HD11 LEU 8 HD11 LEU 8 52.388 5.444 -3.925 87 HD12 LEU 8 HD12 LEU 8 52.680 4.285 -2.605 88 HD13 LEU 8 HD13 LEU 8 54.011 5.303 -3.208 89 HD21 LEU 8 HD21 LEU 8 53.458 5.042 -0.478 90 HD22 LEU 8 HD22 LEU 8 52.890 6.598 0.153 91 HD23 LEU 8 HD23 LEU 8 54.394 6.521 -0.797 92 H ARG 9 HN ARG 9 50.604 8.102 -3.273 93 HA ARG 9 HA ARG 9 48.356 8.991 -1.614 94 HB2 ARG 9 HB2 ARG 9 47.053 7.821 -3.579 95 HB3 ARG 9 HB1 ARG 9 47.915 9.340 -3.887 96 HG2 ARG 9 HG2 ARG 9 48.317 7.597 -5.646 97 HG3 ARG 9 HG1 ARG 9 49.808 8.148 -4.852 98 HD2 ARG 9 HD2 ARG 9 49.970 6.150 -3.548 99 HD3 ARG 9 HD1 ARG 9 48.293 5.679 -3.918 100 HE ARG 9 HE ARG 9 49.668 5.833 -6.386 101 HH11 ARG 9 HH11 ARG 9 50.893 4.096 -7.206 102 HH12 ARG 9 HH12 ARG 9 51.038 2.651 -6.261 103 HH21 ARG 9 HH21 ARG 9 49.364 3.962 -3.520 104 HH22 ARG 9 HH22 ARG 9 50.173 2.576 -4.174 105 H ARG 10 HN ARG 10 50.165 6.957 -0.572 106 HA ARG 10 HA ARG 10 49.432 4.317 -0.613 107 HB2 ARG 10 HB2 ARG 10 49.711 4.486 2.012 108 HB3 ARG 10 HB1 ARG 10 51.086 4.901 0.961 109 HG2 ARG 10 HG2 ARG 10 50.829 7.222 1.283 110 HG3 ARG 10 HG1 ARG 10 49.113 7.090 1.742 111 HD2 ARG 10 HD2 ARG 10 49.754 6.035 3.881 112 HD3 ARG 10 HD1 ARG 10 51.471 6.089 3.414 113 HE ARG 10 HE ARG 10 51.464 8.318 4.165 114 HH11 ARG 10 HH11 ARG 10 49.166 8.390 5.808 115 HH12 ARG 10 HH12 ARG 10 48.061 9.457 5.007 116 HH21 ARG 10 HH21 ARG 10 49.679 9.265 1.946 117 HH22 ARG 10 HH22 ARG 10 48.351 9.951 2.821 118 H ILE 11 HN ILE 11 47.648 6.970 0.796 119 HA ILE 11 HA ILE 11 45.192 5.280 0.943 120 HB ILE 11 HB ILE 11 46.231 5.492 3.272 121 HG12 ILE 11 HG12 ILE 11 43.556 6.863 2.735 122 HG13 ILE 11 HG11 ILE 11 43.822 5.128 3.007 123 HG21 ILE 11 HG21 ILE 11 47.109 7.865 2.755 124 HG22 ILE 11 HG22 ILE 11 46.369 7.614 4.354 125 HG23 ILE 11 HG23 ILE 11 45.449 8.425 3.063 126 HD11 ILE 11 HD1 ILE 11 44.855 5.837 5.282 127 HD12 ILE 11 HD2 ILE 11 43.087 5.959 5.108 128 HD13 ILE 11 HD3 ILE 11 44.095 7.420 4.980 129 H GLY 12 HN GLY 12 47.035 8.073 0.234 130 HA2 GLY 12 HA1 GLY 12 44.982 10.062 0.178 131 HA3 GLY 12 HA2 GLY 12 46.428 10.049 -0.850 132 H LYS 13 HN LYS 13 45.679 7.343 -1.947 133 HA LYS 13 HA LYS 13 44.330 8.222 -4.286 134 HB2 LYS 13 HB2 LYS 13 45.574 6.087 -4.170 135 HB3 LYS 13 HB1 LYS 13 44.340 5.428 -3.070 136 HG2 LYS 13 HG2 LYS 13 42.643 5.512 -4.759 137 HG3 LYS 13 HG1 LYS 13 43.644 6.528 -5.822 138 HD2 LYS 13 HD2 LYS 13 43.657 4.215 -6.645 139 HD3 LYS 13 HD1 LYS 13 45.275 4.647 -6.044 140 HE2 LYS 13 HE2 LYS 13 44.999 3.378 -4.051 141 HE3 LYS 13 HE1 LYS 13 43.235 3.268 -4.259 142 HZ1 LYS 13 HZ1 LYS 13 43.940 2.104 -6.478 143 HZ2 LYS 13 HZ2 LYS 13 43.892 1.233 -5.019 144 HZ3 LYS 13 HZ3 LYS 13 45.376 1.791 -5.630 145 H GLY 14 HN GLY 14 43.159 7.425 -1.131 146 HA2 GLY 14 HA1 GLY 14 40.344 7.147 -2.049 147 HA3 GLY 14 HA2 GLY 14 40.958 6.949 -0.394 148 H VAL 15 HN VAL 15 42.376 9.251 0.021 149 HA VAL 15 HA VAL 15 40.155 11.237 0.189 150 HB VAL 15 HB VAL 15 42.957 11.314 1.393 151 HG11 VAL 15 HG11 VAL 15 40.437 12.980 1.777 152 HG12 VAL 15 HG12 VAL 15 42.040 13.536 1.236 153 HG13 VAL 15 HG13 VAL 15 41.803 13.001 2.917 154 HG21 VAL 15 HG21 VAL 15 41.677 9.414 2.279 155 HG22 VAL 15 HG22 VAL 15 40.268 10.463 2.561 156 HG23 VAL 15 HG23 VAL 15 41.757 10.699 3.508 157 H LYS 16 HN LYS 16 43.682 11.614 -0.262 158 HA LYS 16 HA LYS 16 43.847 14.048 -1.437 159 HB2 LYS 16 HB2 LYS 16 45.706 12.349 -1.048 160 HB3 LYS 16 HB1 LYS 16 45.312 11.681 -2.649 161 HG2 LYS 16 HG2 LYS 16 45.591 14.058 -3.570 162 HG3 LYS 16 HG1 LYS 16 46.279 14.493 -1.989 163 HD2 LYS 16 HD2 LYS 16 47.324 12.238 -3.762 164 HD3 LYS 16 HD1 LYS 16 48.016 13.874 -3.709 165 HE2 LYS 16 HE2 LYS 16 48.245 13.505 -1.150 166 HE3 LYS 16 HE1 LYS 16 47.949 11.785 -1.504 167 HZ1 LYS 16 HZ1 LYS 16 50.034 13.383 -2.889 168 HZ2 LYS 16 HZ2 LYS 16 49.844 11.694 -2.878 169 HZ3 LYS 16 HZ3 LYS 16 50.340 12.505 -1.470 170 H ILE 17 HN ILE 17 42.658 11.134 -3.125 171 HA ILE 17 HA ILE 17 42.715 11.953 -5.776 172 HB ILE 17 HB ILE 17 41.790 9.793 -5.047 173 HG12 ILE 17 HG12 ILE 17 39.601 11.300 -6.547 174 HG13 ILE 17 HG11 ILE 17 41.171 10.934 -7.295 175 HG21 ILE 17 HG21 ILE 17 39.305 11.358 -4.224 176 HG22 ILE 17 HG22 ILE 17 40.538 10.782 -3.079 177 HG23 ILE 17 HG23 ILE 17 39.596 9.612 -4.031 178 HD11 ILE 17 HD1 ILE 17 39.665 9.157 -7.912 179 HD12 ILE 17 HD2 ILE 17 39.114 8.952 -6.234 180 HD13 ILE 17 HD3 ILE 17 40.769 8.486 -6.692 181 H ILE 18 HN ILE 18 41.117 13.575 -3.214 182 HA ILE 18 HA ILE 18 40.042 15.557 -5.115 183 HB ILE 18 HB ILE 18 38.177 13.899 -4.933 184 HG12 ILE 18 HG12 ILE 18 37.605 16.513 -3.456 185 HG13 ILE 18 HG11 ILE 18 37.793 16.380 -5.219 186 HG21 ILE 18 HG21 ILE 18 38.039 14.705 -1.999 187 HG22 ILE 18 HG22 ILE 18 38.851 13.220 -2.551 188 HG23 ILE 18 HG23 ILE 18 37.108 13.439 -2.835 189 HD11 ILE 18 HD1 ILE 18 35.442 16.273 -4.842 190 HD12 ILE 18 HD2 ILE 18 35.630 15.169 -3.461 191 HD13 ILE 18 HD3 ILE 18 35.932 14.586 -5.115 192 H GLY 19 HN GLY 19 40.802 14.416 -1.884 193 HA2 GLY 19 HA1 GLY 19 40.121 16.902 -0.544 194 HA3 GLY 19 HA2 GLY 19 41.090 15.569 0.113 195 H GLY 20 HN GLY 20 42.337 16.377 -2.866 196 HA2 GLY 20 HA1 GLY 20 43.922 18.699 -2.049 197 HA3 GLY 20 HA2 GLY 20 44.839 17.178 -2.053 198 H ALA 21 HN ALA 21 43.425 15.946 -4.234 199 HA ALA 21 HA ALA 21 44.925 17.142 -6.422 200 HB1 ALA 21 HB1 ALA 21 43.827 15.370 -7.778 201 HB2 ALA 21 HB2 ALA 21 42.821 14.948 -6.370 202 HB3 ALA 21 HB3 ALA 21 44.587 14.730 -6.301 203 H ALA 22 HN ALA 22 42.363 18.334 -4.918 204 HA ALA 22 HA ALA 22 41.463 19.826 -7.282 205 HB1 ALA 22 HB1 ALA 22 39.433 18.166 -5.753 206 HB2 ALA 22 HB2 ALA 22 40.096 17.712 -7.341 207 HB3 ALA 22 HB3 ALA 22 39.138 19.203 -7.169 208 H LEU 23 HN LEU 23 41.022 18.964 -3.851 209 HA LEU 23 HA LEU 23 39.797 21.553 -3.211 210 HB2 LEU 23 HB2 LEU 23 39.492 19.247 -2.011 211 HB3 LEU 23 HB1 LEU 23 41.030 19.629 -1.211 212 HG LEU 23 HG LEU 23 39.830 21.974 -0.704 213 HD11 LEU 23 HD11 LEU 23 37.390 21.654 -0.287 214 HD12 LEU 23 HD12 LEU 23 37.479 20.058 -1.066 215 HD13 LEU 23 HD13 LEU 23 37.788 21.531 -2.016 216 HD21 LEU 23 HD21 LEU 23 38.985 21.033 1.434 217 HD22 LEU 23 HD22 LEU 23 40.581 20.364 1.017 218 HD23 LEU 23 HD23 LEU 23 39.113 19.392 0.759 219 H ASP 24 HN ASP 24 42.458 21.491 -4.549 220 HA ASP 24 HA ASP 24 43.717 23.522 -2.886 221 HB2 ASP 24 HB2 ASP 24 44.534 21.518 -1.703 222 HB3 ASP 24 HB1 ASP 24 45.155 20.860 -3.236 223 H HIS 25 HN HIS 25 43.597 21.403 -5.669 224 HA HIS 25 HA HIS 25 44.333 21.700 -7.844 225 HB2 HIS 25 HB2 HIS 25 44.677 24.639 -7.162 226 HB3 HIS 25 HB1 HIS 25 44.302 23.910 -8.743 227 HD1 HIS 25 HD1 HIS 25 41.877 23.144 -9.201 228 HD2 HIS 25 HD2 HIS 25 42.453 24.810 -5.383 229 HE1 HIS 25 HE1 HIS 25 39.567 23.510 -8.173 230 H LEU 26 HN LEU 26 46.227 20.686 -8.123 231 HA LEU 26 HA LEU 26 48.644 22.274 -8.241 232 HB2 LEU 26 HB2 LEU 26 48.225 21.667 -5.693 233 HB3 LEU 26 HB1 LEU 26 48.828 20.066 -6.169 234 HG LEU 26 HG LEU 26 50.281 22.733 -6.496 235 HD11 LEU 26 HD11 LEU 26 50.868 20.271 -4.791 236 HD12 LEU 26 HD12 LEU 26 50.228 21.820 -4.188 237 HD13 LEU 26 HD13 LEU 26 51.866 21.742 -4.879 238 HD21 LEU 26 HD21 LEU 26 50.935 21.423 -8.382 239 HD22 LEU 26 HD22 LEU 26 50.931 19.911 -7.441 240 HD23 LEU 26 HD23 LEU 26 52.205 21.125 -7.173 Start of MODEL 88 1 H1 GLY 1 HT1 GLY 1 54.447 -0.584 -3.784 2 H2 GLY 1 HT2 GLY 1 54.470 -2.278 -3.657 3 H3 GLY 1 HT3 GLY 1 55.918 -1.394 -3.556 4 HA2 GLY 1 HA1 GLY 1 53.677 -1.217 -1.653 5 HA3 GLY 1 HA2 GLY 1 55.141 -2.190 -1.416 6 H ARG 2 HN ARG 2 56.992 -1.261 -0.706 7 HA ARG 2 HA ARG 2 56.743 1.460 0.367 8 HB2 ARG 2 HB2 ARG 2 59.139 0.990 1.126 9 HB3 ARG 2 HB1 ARG 2 57.891 -0.115 1.747 10 HG2 ARG 2 HG2 ARG 2 58.484 -1.821 0.147 11 HG3 ARG 2 HG1 ARG 2 59.540 -0.702 -0.747 12 HD2 ARG 2 HD2 ARG 2 60.836 -2.242 0.732 13 HD3 ARG 2 HD1 ARG 2 61.047 -0.536 1.192 14 HE ARG 2 HE ARG 2 58.867 -1.687 2.681 15 HH11 ARG 2 HH11 ARG 2 60.049 -3.801 3.742 16 HH12 ARG 2 HH12 ARG 2 61.327 -3.279 4.788 17 HH21 ARG 2 HH21 ARG 2 61.490 -0.090 3.437 18 HH22 ARG 2 HH22 ARG 2 62.143 -1.178 4.615 19 H ARG 3 HN ARG 3 56.377 2.053 -2.105 20 HA ARG 3 HA ARG 3 58.564 2.240 -3.884 21 HB2 ARG 3 HB2 ARG 3 56.249 4.172 -3.465 22 HB3 ARG 3 HB1 ARG 3 57.332 4.167 -4.879 23 HG2 ARG 3 HG2 ARG 3 56.685 1.739 -5.251 24 HG3 ARG 3 HG1 ARG 3 55.453 1.943 -3.982 25 HD2 ARG 3 HD2 ARG 3 54.488 2.299 -6.242 26 HD3 ARG 3 HD1 ARG 3 54.419 3.785 -5.264 27 HE ARG 3 HE ARG 3 56.842 3.675 -6.859 28 HH11 ARG 3 HH11 ARG 3 55.620 6.249 -6.575 29 HH12 ARG 3 HH12 ARG 3 54.749 6.488 -8.052 30 HH21 ARG 3 HH21 ARG 3 54.779 3.131 -8.923 31 HH22 ARG 3 HH22 ARG 3 54.272 4.722 -9.381 32 H LYS 4 HN LYS 4 57.498 4.513 -1.323 33 HA LYS 4 HA LYS 4 60.271 5.483 -1.053 34 HB2 LYS 4 HB2 LYS 4 59.482 7.910 -1.340 35 HB3 LYS 4 HB1 LYS 4 59.666 6.955 -2.830 36 HG2 LYS 4 HG2 LYS 4 57.263 6.504 -2.895 37 HG3 LYS 4 HG1 LYS 4 57.034 7.334 -1.337 38 HD2 LYS 4 HD2 LYS 4 57.771 9.456 -2.311 39 HD3 LYS 4 HD1 LYS 4 58.138 8.651 -3.856 40 HE2 LYS 4 HE2 LYS 4 55.392 8.906 -2.554 41 HE3 LYS 4 HE1 LYS 4 55.955 9.757 -4.012 42 HZ1 LYS 4 HZ1 LYS 4 54.678 7.866 -4.672 43 HZ2 LYS 4 HZ2 LYS 4 55.578 6.823 -3.679 44 HZ3 LYS 4 HZ3 LYS 4 56.301 7.542 -5.038 45 H ARG 5 HN ARG 5 59.276 4.145 0.870 46 HA ARG 5 HA ARG 5 58.670 4.193 3.100 47 HB2 ARG 5 HB2 ARG 5 58.971 7.212 2.954 48 HB3 ARG 5 HB1 ARG 5 59.157 6.159 4.376 49 HG2 ARG 5 HG2 ARG 5 61.093 5.041 3.263 50 HG3 ARG 5 HG1 ARG 5 60.933 6.171 1.897 51 HD2 ARG 5 HD2 ARG 5 61.451 6.960 4.798 52 HD3 ARG 5 HD1 ARG 5 62.664 6.942 3.496 53 HE ARG 5 HE ARG 5 60.486 8.564 2.637 54 HH11 ARG 5 HH11 ARG 5 62.157 8.576 5.583 55 HH12 ARG 5 HH12 ARG 5 62.658 10.230 5.478 56 HH21 ARG 5 HH21 ARG 5 61.475 10.661 2.248 57 HH22 ARG 5 HH22 ARG 5 62.270 11.412 3.590 58 H LYS 6 HN LYS 6 57.334 7.398 2.195 59 HA LYS 6 HA LYS 6 54.567 6.278 2.422 60 HB2 LYS 6 HB2 LYS 6 55.480 8.750 3.941 61 HB3 LYS 6 HB1 LYS 6 53.885 7.966 4.004 62 HG2 LYS 6 HG2 LYS 6 55.019 5.885 4.877 63 HG3 LYS 6 HG1 LYS 6 56.534 6.814 4.974 64 HD2 LYS 6 HD2 LYS 6 55.296 8.503 6.415 65 HD3 LYS 6 HD1 LYS 6 53.935 7.356 6.464 66 HE2 LYS 6 HE2 LYS 6 55.479 5.615 7.389 67 HE3 LYS 6 HE1 LYS 6 56.781 6.828 7.423 68 HZ1 LYS 6 HZ1 LYS 6 54.169 7.165 8.806 69 HZ2 LYS 6 HZ2 LYS 6 55.549 8.142 8.957 70 HZ3 LYS 6 HZ3 LYS 6 55.561 6.555 9.560 71 H TRP 7 HN TRP 7 53.110 8.536 2.290 72 HA TRP 7 HA TRP 7 52.382 10.212 0.881 73 HB2 TRP 7 HB2 TRP 7 54.841 11.021 1.341 74 HB3 TRP 7 HB1 TRP 7 55.157 10.489 -0.323 75 HD1 TRP 7 HD1 TRP 7 52.432 12.613 1.463 76 HE1 TRP 7 HE1 TRP 7 51.869 14.672 -0.022 77 HE3 TRP 7 HE3 TRP 7 55.552 11.642 -2.478 78 HZ2 TRP 7 HZ2 TRP 7 52.684 15.725 -2.576 79 HZ3 TRP 7 HZ3 TRP 7 55.644 13.188 -4.428 80 HH2 TRP 7 HH2 TRP 7 54.214 15.226 -4.480 81 H LEU 8 HN LEU 8 53.507 7.261 -0.091 82 HA LEU 8 HA LEU 8 53.447 7.607 -2.969 83 HB2 LEU 8 HB2 LEU 8 53.691 5.259 -3.116 84 HB3 LEU 8 HB1 LEU 8 54.558 5.709 -1.634 85 HG LEU 8 HG LEU 8 51.764 4.488 -1.831 86 HD11 LEU 8 HD11 LEU 8 52.803 2.634 -0.607 87 HD12 LEU 8 HD12 LEU 8 54.350 3.513 -0.544 88 HD13 LEU 8 HD13 LEU 8 53.709 2.951 -2.106 89 HD21 LEU 8 HD21 LEU 8 51.705 6.095 -0.017 90 HD22 LEU 8 HD22 LEU 8 53.320 5.601 0.541 91 HD23 LEU 8 HD23 LEU 8 51.943 4.492 0.714 92 H ARG 9 HN ARG 9 51.048 8.377 -1.063 93 HA ARG 9 HA ARG 9 48.759 8.508 -1.325 94 HB2 ARG 9 HB2 ARG 9 49.173 7.412 -4.130 95 HB3 ARG 9 HB1 ARG 9 47.824 8.402 -3.532 96 HG2 ARG 9 HG2 ARG 9 50.738 9.293 -3.701 97 HG3 ARG 9 HG1 ARG 9 49.440 9.774 -4.819 98 HD2 ARG 9 HD2 ARG 9 48.199 10.570 -2.625 99 HD3 ARG 9 HD1 ARG 9 49.831 10.542 -1.914 100 HE ARG 9 HE ARG 9 48.872 12.629 -3.532 101 HH11 ARG 9 HH11 ARG 9 50.327 11.316 -5.756 102 HH12 ARG 9 HH12 ARG 9 51.926 11.961 -5.599 103 HH21 ARG 9 HH21 ARG 9 51.443 13.070 -2.349 104 HH22 ARG 9 HH22 ARG 9 52.558 12.954 -3.670 105 H ARG 10 HN ARG 10 49.668 6.254 -0.001 106 HA ARG 10 HA ARG 10 48.781 3.756 -0.977 107 HB2 ARG 10 HB2 ARG 10 48.143 3.476 1.647 108 HB3 ARG 10 HB1 ARG 10 49.829 3.504 1.086 109 HG2 ARG 10 HG2 ARG 10 50.148 5.764 1.734 110 HG3 ARG 10 HG1 ARG 10 48.405 6.082 1.846 111 HD2 ARG 10 HD2 ARG 10 48.278 4.482 3.777 112 HD3 ARG 10 HD1 ARG 10 50.046 4.292 3.693 113 HE ARG 10 HE ARG 10 48.664 6.497 4.920 114 HH11 ARG 10 HH11 ARG 10 49.555 8.620 3.833 115 HH12 ARG 10 HH12 ARG 10 51.282 8.702 3.910 116 HH21 ARG 10 HH21 ARG 10 51.674 5.333 4.626 117 HH22 ARG 10 HH22 ARG 10 52.483 6.841 4.359 118 H ILE 11 HN ILE 11 46.866 5.245 1.606 119 HA ILE 11 HA ILE 11 44.385 4.473 0.140 120 HB ILE 11 HB ILE 11 43.241 5.028 2.289 121 HG12 ILE 11 HG12 ILE 11 45.178 5.135 4.263 122 HG13 ILE 11 HG11 ILE 11 46.008 6.038 2.981 123 HG21 ILE 11 HG21 ILE 11 45.631 3.164 2.617 124 HG22 ILE 11 HG22 ILE 11 44.127 2.752 1.758 125 HG23 ILE 11 HG23 ILE 11 44.092 3.085 3.507 126 HD11 ILE 11 HD1 ILE 11 44.165 7.636 2.843 127 HD12 ILE 11 HD2 ILE 11 44.653 7.477 4.543 128 HD13 ILE 11 HD3 ILE 11 43.183 6.662 3.963 129 H GLY 12 HN GLY 12 46.454 7.131 0.472 130 HA2 GLY 12 HA1 GLY 12 44.571 9.278 0.709 131 HA3 GLY 12 HA2 GLY 12 46.181 9.377 -0.041 132 H LYS 13 HN LYS 13 45.742 7.364 -2.020 133 HA LYS 13 HA LYS 13 44.789 8.871 -4.184 134 HB2 LYS 13 HB2 LYS 13 46.037 6.846 -4.550 135 HB3 LYS 13 HB1 LYS 13 44.827 5.872 -3.688 136 HG2 LYS 13 HG2 LYS 13 43.200 6.174 -5.440 137 HG3 LYS 13 HG1 LYS 13 44.182 7.438 -6.220 138 HD2 LYS 13 HD2 LYS 13 44.325 5.193 -7.365 139 HD3 LYS 13 HD1 LYS 13 45.898 5.817 -6.820 140 HE2 LYS 13 HE2 LYS 13 44.287 3.983 -5.010 141 HE3 LYS 13 HE1 LYS 13 45.285 3.305 -6.320 142 HZ1 LYS 13 HZ1 LYS 13 46.897 5.164 -5.129 143 HZ2 LYS 13 HZ2 LYS 13 46.973 3.480 -4.909 144 HZ3 LYS 13 HZ3 LYS 13 46.094 4.444 -3.821 145 H GLY 14 HN GLY 14 43.027 7.485 -1.587 146 HA2 GLY 14 HA1 GLY 14 40.450 7.520 -3.116 147 HA3 GLY 14 HA2 GLY 14 40.734 6.752 -1.543 148 H VAL 15 HN VAL 15 42.015 8.858 -0.167 149 HA VAL 15 HA VAL 15 39.681 10.748 0.100 150 HB VAL 15 HB VAL 15 40.670 11.208 2.388 151 HG11 VAL 15 HG11 VAL 15 38.779 9.649 2.049 152 HG12 VAL 15 HG12 VAL 15 39.847 9.078 3.353 153 HG13 VAL 15 HG13 VAL 15 39.924 8.321 1.744 154 HG21 VAL 15 HG21 VAL 15 42.250 9.454 3.255 155 HG22 VAL 15 HG22 VAL 15 42.973 10.477 1.994 156 HG23 VAL 15 HG23 VAL 15 42.419 8.833 1.597 157 H LYS 16 HN LYS 16 43.245 10.577 -0.072 158 HA LYS 16 HA LYS 16 43.631 13.424 0.163 159 HB2 LYS 16 HB2 LYS 16 45.373 11.583 0.497 160 HB3 LYS 16 HB1 LYS 16 45.445 11.454 -1.273 161 HG2 LYS 16 HG2 LYS 16 47.177 12.987 -0.881 162 HG3 LYS 16 HG1 LYS 16 45.817 14.095 -1.162 163 HD2 LYS 16 HD2 LYS 16 45.477 14.331 1.271 164 HD3 LYS 16 HD1 LYS 16 46.772 13.152 1.583 165 HE2 LYS 16 HE2 LYS 16 48.341 14.688 0.299 166 HE3 LYS 16 HE1 LYS 16 47.037 15.898 0.295 167 HZ1 LYS 16 HZ1 LYS 16 48.256 14.656 2.710 168 HZ2 LYS 16 HZ2 LYS 16 46.993 15.790 2.716 169 HZ3 LYS 16 HZ3 LYS 16 48.534 16.235 2.157 170 H ILE 17 HN ILE 17 42.955 11.242 -2.541 171 HA ILE 17 HA ILE 17 43.726 12.788 -4.720 172 HB ILE 17 HB ILE 17 42.774 10.607 -5.095 173 HG12 ILE 17 HG12 ILE 17 41.196 11.021 -6.897 174 HG13 ILE 17 HG11 ILE 17 40.769 12.611 -6.233 175 HG21 ILE 17 HG21 ILE 17 40.054 11.624 -4.202 176 HG22 ILE 17 HG22 ILE 17 41.168 10.782 -3.106 177 HG23 ILE 17 HG23 ILE 17 40.545 9.955 -4.550 178 HD11 ILE 17 HD1 ILE 17 42.881 13.543 -6.796 179 HD12 ILE 17 HD2 ILE 17 42.470 12.534 -8.201 180 HD13 ILE 17 HD3 ILE 17 43.636 11.943 -6.993 181 H ILE 18 HN ILE 18 40.524 12.994 -3.063 182 HA ILE 18 HA ILE 18 39.994 15.567 -4.465 183 HB ILE 18 HB ILE 18 38.339 13.852 -2.555 184 HG12 ILE 18 HG12 ILE 18 37.564 14.626 -5.394 185 HG13 ILE 18 HG11 ILE 18 38.775 13.350 -5.165 186 HG21 ILE 18 HG21 ILE 18 36.478 15.530 -3.254 187 HG22 ILE 18 HG22 ILE 18 37.807 16.605 -3.742 188 HG23 ILE 18 HG23 ILE 18 37.661 16.083 -2.047 189 HD11 ILE 18 HD1 ILE 18 37.181 12.123 -3.687 190 HD12 ILE 18 HD2 ILE 18 36.541 12.354 -5.331 191 HD13 ILE 18 HD3 ILE 18 35.955 13.375 -3.996 192 H GLY 19 HN GLY 19 39.495 14.562 -1.051 193 HA2 GLY 19 HA1 GLY 19 41.334 16.515 0.005 194 HA3 GLY 19 HA2 GLY 19 39.675 17.143 0.037 195 H GLY 20 HN GLY 20 38.917 14.101 0.266 196 HA2 GLY 20 HA1 GLY 20 38.570 12.582 1.992 197 HA3 GLY 20 HA2 GLY 20 39.845 13.386 2.929 198 H ALA 21 HN ALA 21 38.630 16.036 2.784 199 HA ALA 21 HA ALA 21 37.153 16.047 5.166 200 HB1 ALA 21 HB1 ALA 21 36.487 18.286 4.593 201 HB2 ALA 21 HB2 ALA 21 36.730 17.973 2.858 202 HB3 ALA 21 HB3 ALA 21 38.129 18.034 3.958 203 H ALA 22 HN ALA 22 35.964 15.858 1.799 204 HA ALA 22 HA ALA 22 33.170 15.820 2.554 205 HB1 ALA 22 HB1 ALA 22 34.020 16.428 0.291 206 HB2 ALA 22 HB2 ALA 22 32.778 15.153 0.247 207 HB3 ALA 22 HB3 ALA 22 34.496 14.732 0.046 208 H LEU 23 HN LEU 23 35.540 13.285 1.656 209 HA LEU 23 HA LEU 23 33.613 11.140 2.229 210 HB2 LEU 23 HB2 LEU 23 36.614 10.811 1.910 211 HB3 LEU 23 HB1 LEU 23 35.316 9.658 1.516 212 HG LEU 23 HG LEU 23 35.926 12.283 0.087 213 HD11 LEU 23 HD11 LEU 23 37.400 10.264 -0.360 214 HD12 LEU 23 HD12 LEU 23 36.521 10.868 -1.785 215 HD13 LEU 23 HD13 LEU 23 35.948 9.413 -0.936 216 HD21 LEU 23 HD21 LEU 23 33.635 10.291 -0.183 217 HD22 LEU 23 HD22 LEU 23 34.094 11.396 -1.502 218 HD23 LEU 23 HD23 LEU 23 33.537 12.052 0.055 219 H ASP 24 HN ASP 24 33.941 12.921 4.419 220 HA ASP 24 HA ASP 24 34.565 10.969 6.489 221 HB2 ASP 24 HB2 ASP 24 36.863 11.716 5.890 222 HB3 ASP 24 HB1 ASP 24 36.390 13.395 6.248 223 H HIS 25 HN HIS 25 34.942 14.530 6.432 224 HA HIS 25 HA HIS 25 33.086 14.799 8.675 225 HB2 HIS 25 HB2 HIS 25 34.464 16.836 6.883 226 HB3 HIS 25 HB1 HIS 25 33.467 17.256 8.297 227 HD1 HIS 25 HD1 HIS 25 36.549 15.128 7.427 228 HD2 HIS 25 HD2 HIS 25 34.911 17.269 10.653 229 HE1 HIS 25 HE1 HIS 25 38.235 15.024 9.343 230 H LEU 26 HN LEU 26 31.159 13.853 7.803 231 HA LEU 26 HA LEU 26 29.898 14.991 5.443 232 HB2 LEU 26 HB2 LEU 26 28.474 13.498 7.671 233 HB3 LEU 26 HB1 LEU 26 28.072 13.554 5.938 234 HG LEU 26 HG LEU 26 30.527 12.244 7.188 235 HD11 LEU 26 HD11 LEU 26 28.292 11.068 7.415 236 HD12 LEU 26 HD12 LEU 26 29.510 10.159 6.488 237 HD13 LEU 26 HD13 LEU 26 28.206 11.022 5.638 238 HD21 LEU 26 HD21 LEU 26 30.798 11.402 4.752 239 HD22 LEU 26 HD22 LEU 26 31.239 13.094 5.068 240 HD23 LEU 26 HD23 LEU 26 29.680 12.711 4.298 Start of MODEL 89 1 H1 GLY 1 HT1 GLY 1 57.836 -1.980 -1.418 2 H2 GLY 1 HT2 GLY 1 57.650 -3.116 -2.668 3 H3 GLY 1 HT3 GLY 1 56.285 -2.374 -1.978 4 HA2 GLY 1 HA1 GLY 1 58.299 -1.266 -3.786 5 HA3 GLY 1 HA2 GLY 1 56.531 -1.267 -3.938 6 H ARG 2 HN ARG 2 57.393 -0.651 -0.749 7 HA ARG 2 HA ARG 2 56.407 2.045 -0.849 8 HB2 ARG 2 HB2 ARG 2 58.137 0.817 1.328 9 HB3 ARG 2 HB1 ARG 2 56.960 2.142 1.491 10 HG2 ARG 2 HG2 ARG 2 55.149 0.552 0.774 11 HG3 ARG 2 HG1 ARG 2 56.350 -0.762 0.788 12 HD2 ARG 2 HD2 ARG 2 56.836 -0.189 3.204 13 HD3 ARG 2 HD1 ARG 2 55.468 0.948 3.152 14 HE ARG 2 HE ARG 2 55.255 -1.921 3.405 15 HH11 ARG 2 HH11 ARG 2 53.656 -2.662 1.562 16 HH12 ARG 2 HH12 ARG 2 52.158 -1.795 1.630 17 HH21 ARG 2 HH21 ARG 2 53.404 0.726 3.660 18 HH22 ARG 2 HH22 ARG 2 52.015 0.123 2.817 19 H ARG 3 HN ARG 3 57.718 2.938 -2.584 20 HA ARG 3 HA ARG 3 60.583 3.275 -2.189 21 HB2 ARG 3 HB2 ARG 3 59.370 3.273 -4.419 22 HB3 ARG 3 HB1 ARG 3 58.748 4.888 -3.999 23 HG2 ARG 3 HG2 ARG 3 61.031 5.758 -3.797 24 HG3 ARG 3 HG1 ARG 3 61.704 4.137 -4.092 25 HD2 ARG 3 HD2 ARG 3 61.801 5.353 -6.184 26 HD3 ARG 3 HD1 ARG 3 60.503 4.143 -6.328 27 HE ARG 3 HE ARG 3 59.197 6.420 -5.419 28 HH11 ARG 3 HH11 ARG 3 61.298 8.001 -6.826 29 HH12 ARG 3 HH12 ARG 3 60.647 8.145 -8.424 30 HH21 ARG 3 HH21 ARG 3 58.351 5.581 -8.004 31 HH22 ARG 3 HH22 ARG 3 58.979 6.773 -9.092 32 H LYS 4 HN LYS 4 57.888 5.664 -2.283 33 HA LYS 4 HA LYS 4 59.550 7.665 -0.930 34 HB2 LYS 4 HB2 LYS 4 56.556 7.698 -1.477 35 HB3 LYS 4 HB1 LYS 4 57.599 9.094 -1.114 36 HG2 LYS 4 HG2 LYS 4 58.952 8.503 -3.182 37 HG3 LYS 4 HG1 LYS 4 57.693 7.308 -3.579 38 HD2 LYS 4 HD2 LYS 4 55.985 9.141 -3.518 39 HD3 LYS 4 HD1 LYS 4 57.297 10.313 -3.241 40 HE2 LYS 4 HE2 LYS 4 58.345 9.696 -5.374 41 HE3 LYS 4 HE1 LYS 4 57.108 8.444 -5.645 42 HZ1 LYS 4 HZ1 LYS 4 56.966 11.277 -6.076 43 HZ2 LYS 4 HZ2 LYS 4 55.669 10.706 -5.141 44 HZ3 LYS 4 HZ3 LYS 4 55.973 10.039 -6.675 45 H ARG 5 HN ARG 5 59.093 5.119 0.482 46 HA ARG 5 HA ARG 5 58.543 4.382 2.609 47 HB2 ARG 5 HB2 ARG 5 58.789 7.369 3.126 48 HB3 ARG 5 HB1 ARG 5 58.599 6.156 4.416 49 HG2 ARG 5 HG2 ARG 5 60.636 4.983 3.596 50 HG3 ARG 5 HG1 ARG 5 60.840 6.235 2.346 51 HD2 ARG 5 HD2 ARG 5 60.828 6.716 5.359 52 HD3 ARG 5 HD1 ARG 5 62.267 6.713 4.312 53 HE ARG 5 HE ARG 5 60.555 8.593 3.158 54 HH11 ARG 5 HH11 ARG 5 62.896 8.318 5.552 55 HH12 ARG 5 HH12 ARG 5 62.582 9.858 6.281 56 HH21 ARG 5 HH21 ARG 5 59.738 10.469 4.394 57 HH22 ARG 5 HH22 ARG 5 60.794 11.075 5.626 58 H LYS 6 HN LYS 6 56.899 7.504 3.022 59 HA LYS 6 HA LYS 6 54.235 6.156 2.765 60 HB2 LYS 6 HB2 LYS 6 55.063 7.801 5.191 61 HB3 LYS 6 HB1 LYS 6 53.491 7.011 4.915 62 HG2 LYS 6 HG2 LYS 6 54.699 4.797 4.797 63 HG3 LYS 6 HG1 LYS 6 56.192 5.642 5.270 64 HD2 LYS 6 HD2 LYS 6 55.168 6.369 7.370 65 HD3 LYS 6 HD1 LYS 6 53.609 5.655 6.891 66 HE2 LYS 6 HE2 LYS 6 54.757 3.411 6.750 67 HE3 LYS 6 HE1 LYS 6 56.219 4.172 7.420 68 HZ1 LYS 6 HZ1 LYS 6 53.630 4.473 8.805 69 HZ2 LYS 6 HZ2 LYS 6 55.204 4.539 9.440 70 HZ3 LYS 6 HZ3 LYS 6 54.525 3.046 8.998 71 H TRP 7 HN TRP 7 54.456 7.487 0.766 72 HA TRP 7 HA TRP 7 52.964 9.942 1.113 73 HB2 TRP 7 HB2 TRP 7 55.221 10.766 1.766 74 HB3 TRP 7 HB1 TRP 7 55.850 10.236 0.188 75 HD1 TRP 7 HD1 TRP 7 55.778 11.989 -1.644 76 HE1 TRP 7 HE1 TRP 7 54.495 14.203 -2.103 77 HE3 TRP 7 HE3 TRP 7 52.645 11.961 2.405 78 HZ2 TRP 7 HZ2 TRP 7 52.395 15.730 -0.859 79 HZ3 TRP 7 HZ3 TRP 7 51.009 13.807 2.749 80 HH2 TRP 7 HH2 TRP 7 50.882 15.690 1.123 81 H LEU 8 HN LEU 8 53.521 7.263 -0.446 82 HA LEU 8 HA LEU 8 53.741 8.142 -3.217 83 HB2 LEU 8 HB2 LEU 8 52.741 5.673 -3.516 84 HB3 LEU 8 HB1 LEU 8 54.427 5.924 -3.019 85 HG LEU 8 HG LEU 8 52.347 5.813 -0.818 86 HD11 LEU 8 HD11 LEU 8 51.612 3.921 -2.117 87 HD12 LEU 8 HD12 LEU 8 52.604 3.286 -0.783 88 HD13 LEU 8 HD13 LEU 8 53.286 3.402 -2.423 89 HD21 LEU 8 HD21 LEU 8 54.154 4.957 0.472 90 HD22 LEU 8 HD22 LEU 8 54.926 6.164 -0.581 91 HD23 LEU 8 HD23 LEU 8 55.060 4.434 -0.968 92 H ARG 9 HN ARG 9 51.077 6.084 -2.113 93 HA ARG 9 HA ARG 9 49.029 8.109 -2.402 94 HB2 ARG 9 HB2 ARG 9 49.924 7.549 -4.839 95 HB3 ARG 9 HB1 ARG 9 48.954 6.075 -4.648 96 HG2 ARG 9 HG2 ARG 9 47.347 7.499 -5.585 97 HG3 ARG 9 HG1 ARG 9 47.062 7.811 -3.858 98 HD2 ARG 9 HD2 ARG 9 47.189 9.947 -5.025 99 HD3 ARG 9 HD1 ARG 9 48.645 9.775 -4.020 100 HE ARG 9 HE ARG 9 49.881 9.877 -6.017 101 HH11 ARG 9 HH11 ARG 9 50.055 8.032 -7.733 102 HH12 ARG 9 HH12 ARG 9 48.816 8.142 -8.940 103 HH21 ARG 9 HH21 ARG 9 46.832 10.295 -7.082 104 HH22 ARG 9 HH22 ARG 9 46.991 9.424 -8.571 105 H ARG 10 HN ARG 10 49.995 5.836 -0.713 106 HA ARG 10 HA ARG 10 48.375 3.560 -0.829 107 HB2 ARG 10 HB2 ARG 10 48.428 3.887 1.847 108 HB3 ARG 10 HB1 ARG 10 49.894 3.462 0.935 109 HG2 ARG 10 HG2 ARG 10 50.720 5.690 0.966 110 HG3 ARG 10 HG1 ARG 10 49.144 6.371 1.420 111 HD2 ARG 10 HD2 ARG 10 49.316 5.148 3.622 112 HD3 ARG 10 HD1 ARG 10 50.963 4.651 3.161 113 HE ARG 10 HE ARG 10 51.039 7.393 2.860 114 HH11 ARG 10 HH11 ARG 10 49.860 8.769 4.607 115 HH12 ARG 10 HH12 ARG 10 50.312 8.320 6.218 116 HH21 ARG 10 HH21 ARG 10 51.696 5.286 5.268 117 HH22 ARG 10 HH22 ARG 10 51.353 6.349 6.592 118 H ILE 11 HN ILE 11 47.497 5.801 1.760 119 HA ILE 11 HA ILE 11 44.636 5.347 1.141 120 HB ILE 11 HB ILE 11 44.297 6.752 3.236 121 HG12 ILE 11 HG12 ILE 11 47.312 6.420 3.597 122 HG13 ILE 11 HG11 ILE 11 46.609 7.903 2.917 123 HG21 ILE 11 HG21 ILE 11 46.167 4.361 3.562 124 HG22 ILE 11 HG22 ILE 11 44.429 4.236 3.207 125 HG23 ILE 11 HG23 ILE 11 44.972 4.949 4.739 126 HD11 ILE 11 HD1 ILE 11 46.857 8.308 5.263 127 HD12 ILE 11 HD2 ILE 11 46.160 6.730 5.690 128 HD13 ILE 11 HD3 ILE 11 45.124 8.007 5.009 129 H GLY 12 HN GLY 12 47.096 7.616 0.410 130 HA2 GLY 12 HA1 GLY 12 45.721 10.072 0.399 131 HA3 GLY 12 HA2 GLY 12 47.002 9.621 -0.748 132 H LYS 13 HN LYS 13 45.798 7.512 -2.090 133 HA LYS 13 HA LYS 13 44.368 8.736 -4.145 134 HB2 LYS 13 HB2 LYS 13 45.202 6.424 -4.262 135 HB3 LYS 13 HB1 LYS 13 43.994 5.915 -3.059 136 HG2 LYS 13 HG2 LYS 13 42.172 6.369 -4.554 137 HG3 LYS 13 HG1 LYS 13 43.229 7.240 -5.690 138 HD2 LYS 13 HD2 LYS 13 42.687 4.932 -6.481 139 HD3 LYS 13 HD1 LYS 13 44.430 5.163 -6.216 140 HE2 LYS 13 HE2 LYS 13 44.415 3.901 -4.206 141 HE3 LYS 13 HE1 LYS 13 42.649 4.036 -4.023 142 HZ1 LYS 13 HZ1 LYS 13 42.360 2.240 -5.269 143 HZ2 LYS 13 HZ2 LYS 13 44.036 1.977 -5.211 144 HZ3 LYS 13 HZ3 LYS 13 43.352 2.832 -6.510 145 H GLY 14 HN GLY 14 43.324 8.133 -0.927 146 HA2 GLY 14 HA1 GLY 14 40.434 8.403 -1.650 147 HA3 GLY 14 HA2 GLY 14 41.090 7.856 -0.096 148 H VAL 15 HN VAL 15 42.991 9.901 0.422 149 HA VAL 15 HA VAL 15 41.076 12.175 0.936 150 HB VAL 15 HB VAL 15 42.769 12.847 2.691 151 HG11 VAL 15 HG11 VAL 15 41.511 10.074 2.853 152 HG12 VAL 15 HG12 VAL 15 40.754 11.618 3.315 153 HG13 VAL 15 HG13 VAL 15 42.129 10.984 4.251 154 HG21 VAL 15 HG21 VAL 15 44.366 11.046 3.410 155 HG22 VAL 15 HG22 VAL 15 44.749 11.707 1.804 156 HG23 VAL 15 HG23 VAL 15 43.939 10.127 1.948 157 H LYS 16 HN LYS 16 44.369 11.416 -0.239 158 HA LYS 16 HA LYS 16 45.250 14.080 -0.629 159 HB2 LYS 16 HB2 LYS 16 46.609 11.956 -0.875 160 HB3 LYS 16 HB1 LYS 16 45.853 11.739 -2.473 161 HG2 LYS 16 HG2 LYS 16 46.688 14.004 -3.138 162 HG3 LYS 16 HG1 LYS 16 47.514 14.133 -1.567 163 HD2 LYS 16 HD2 LYS 16 48.759 12.012 -2.113 164 HD3 LYS 16 HD1 LYS 16 48.023 12.051 -3.734 165 HE2 LYS 16 HE2 LYS 16 50.275 13.075 -3.770 166 HE3 LYS 16 HE1 LYS 16 49.023 14.286 -4.134 167 HZ1 LYS 16 HZ1 LYS 16 49.435 15.390 -2.243 168 HZ2 LYS 16 HZ2 LYS 16 50.928 14.577 -2.262 169 HZ3 LYS 16 HZ3 LYS 16 49.645 13.982 -1.321 170 H ILE 17 HN ILE 17 43.776 11.880 -3.068 171 HA ILE 17 HA ILE 17 43.391 14.100 -4.933 172 HB ILE 17 HB ILE 17 43.814 11.594 -5.485 173 HG12 ILE 17 HG12 ILE 17 41.500 12.997 -6.906 174 HG13 ILE 17 HG11 ILE 17 43.218 13.366 -7.164 175 HG21 ILE 17 HG21 ILE 17 41.828 10.903 -3.955 176 HG22 ILE 17 HG22 ILE 17 41.995 10.080 -5.523 177 HG23 ILE 17 HG23 ILE 17 40.789 11.373 -5.321 178 HD11 ILE 17 HD1 ILE 17 43.521 10.874 -7.717 179 HD12 ILE 17 HD2 ILE 17 42.614 11.840 -8.904 180 HD13 ILE 17 HD3 ILE 17 41.745 10.777 -7.772 181 H ILE 18 HN ILE 18 42.075 14.042 -2.165 182 HA ILE 18 HA ILE 18 40.049 14.724 -1.269 183 HB ILE 18 HB ILE 18 39.203 15.494 -4.095 184 HG12 ILE 18 HG12 ILE 18 40.978 17.019 -2.131 185 HG13 ILE 18 HG11 ILE 18 41.492 16.335 -3.692 186 HG21 ILE 18 HG21 ILE 18 38.656 16.883 -1.441 187 HG22 ILE 18 HG22 ILE 18 37.595 15.607 -2.084 188 HG23 ILE 18 HG23 ILE 18 37.825 17.115 -2.996 189 HD11 ILE 18 HD1 ILE 18 39.605 18.657 -3.174 190 HD12 ILE 18 HD2 ILE 18 39.599 17.792 -4.731 191 HD13 ILE 18 HD3 ILE 18 41.073 18.621 -4.176 192 H GLY 19 HN GLY 19 39.101 12.871 -0.575 193 HA2 GLY 19 HA1 GLY 19 36.774 11.948 -2.022 194 HA3 GLY 19 HA2 GLY 19 38.099 10.770 -2.125 195 H GLY 20 HN GLY 20 38.099 9.239 -0.624 196 HA2 GLY 20 HA1 GLY 20 37.594 8.143 1.358 197 HA3 GLY 20 HA2 GLY 20 37.968 9.697 2.143 198 H ALA 21 HN ALA 21 36.173 8.235 3.433 199 HA ALA 21 HA ALA 21 33.447 8.517 2.620 200 HB1 ALA 21 HB1 ALA 21 34.147 7.033 4.443 201 HB2 ALA 21 HB2 ALA 21 32.934 8.201 5.018 202 HB3 ALA 21 HB3 ALA 21 34.655 8.439 5.406 203 H ALA 22 HN ALA 22 35.716 10.815 3.109 204 HA ALA 22 HA ALA 22 35.351 13.108 2.815 205 HB1 ALA 22 HB1 ALA 22 32.796 12.680 2.723 206 HB2 ALA 22 HB2 ALA 22 33.353 14.261 3.320 207 HB3 ALA 22 HB3 ALA 22 32.814 13.017 4.472 208 H LEU 23 HN LEU 23 37.227 12.870 4.061 209 HA LEU 23 HA LEU 23 38.518 13.104 5.958 210 HB2 LEU 23 HB2 LEU 23 36.467 15.181 6.809 211 HB3 LEU 23 HB1 LEU 23 38.217 15.175 7.122 212 HG LEU 23 HG LEU 23 36.928 15.421 4.364 213 HD11 LEU 23 HD11 LEU 23 38.366 17.512 6.053 214 HD12 LEU 23 HD12 LEU 23 36.598 17.401 5.878 215 HD13 LEU 23 HD13 LEU 23 37.613 17.761 4.460 216 HD21 LEU 23 HD21 LEU 23 39.806 15.424 5.368 217 HD22 LEU 23 HD22 LEU 23 39.351 16.150 3.806 218 HD23 LEU 23 HD23 LEU 23 39.085 14.416 4.091 219 H ASP 24 HN ASP 24 37.028 10.970 6.182 220 HA ASP 24 HA ASP 24 36.672 10.703 9.088 221 HB2 ASP 24 HB2 ASP 24 34.378 10.538 7.098 222 HB3 ASP 24 HB1 ASP 24 34.326 9.684 8.665 223 H HIS 25 HN HIS 25 37.711 9.840 6.178 224 HA HIS 25 HA HIS 25 37.165 6.979 6.152 225 HB2 HIS 25 HB2 HIS 25 37.680 8.660 4.204 226 HB3 HIS 25 HB1 HIS 25 39.382 8.385 4.626 227 HD1 HIS 25 HD1 HIS 25 36.308 6.632 3.261 228 HD2 HIS 25 HD2 HIS 25 40.338 5.744 4.064 229 HE1 HIS 25 HE1 HIS 25 36.841 4.412 2.116 230 H LEU 26 HN LEU 26 40.323 8.700 6.211 231 HA LEU 26 HA LEU 26 42.331 8.081 7.205 232 HB2 LEU 26 HB2 LEU 26 40.292 7.406 9.354 233 HB3 LEU 26 HB1 LEU 26 42.034 7.174 9.627 234 HG LEU 26 HG LEU 26 42.466 9.540 9.166 235 HD11 LEU 26 HD11 LEU 26 40.872 10.134 7.500 236 HD12 LEU 26 HD12 LEU 26 40.369 11.056 8.935 237 HD13 LEU 26 HD13 LEU 26 39.501 9.568 8.483 238 HD21 LEU 26 HD21 LEU 26 41.405 10.484 11.132 239 HD22 LEU 26 HD22 LEU 26 41.712 8.763 11.464 240 HD23 LEU 26 HD23 LEU 26 40.072 9.310 11.040 Start of MODEL 90 1 H1 GLY 1 HT1 GLY 1 53.459 -3.460 -0.786 2 H2 GLY 1 HT2 GLY 1 54.888 -2.574 -1.028 3 H3 GLY 1 HT3 GLY 1 53.541 -2.315 -2.031 4 HA2 GLY 1 HA1 GLY 1 52.539 -0.985 -0.622 5 HA3 GLY 1 HA2 GLY 1 53.017 -1.989 0.762 6 H ARG 2 HN ARG 2 54.968 -0.373 -1.769 7 HA ARG 2 HA ARG 2 55.877 1.717 0.030 8 HB2 ARG 2 HB2 ARG 2 58.300 0.894 0.041 9 HB3 ARG 2 HB1 ARG 2 57.175 0.029 1.115 10 HG2 ARG 2 HG2 ARG 2 56.904 -1.758 -0.542 11 HG3 ARG 2 HG1 ARG 2 57.938 -0.879 -1.695 12 HD2 ARG 2 HD2 ARG 2 59.868 -1.111 -0.255 13 HD3 ARG 2 HD1 ARG 2 58.869 -1.756 1.070 14 HE ARG 2 HE ARG 2 59.047 -3.865 0.037 15 HH11 ARG 2 HH11 ARG 2 61.403 -2.734 -1.548 16 HH12 ARG 2 HH12 ARG 2 60.957 -3.174 -3.162 17 HH21 ARG 2 HH21 ARG 2 57.651 -3.835 -2.351 18 HH22 ARG 2 HH22 ARG 2 58.831 -3.798 -3.617 19 H ARG 3 HN ARG 3 54.763 1.997 -2.383 20 HA ARG 3 HA ARG 3 56.600 1.909 -4.599 21 HB2 ARG 3 HB2 ARG 3 54.184 3.717 -4.186 22 HB3 ARG 3 HB1 ARG 3 54.969 3.333 -5.738 23 HG2 ARG 3 HG2 ARG 3 54.421 0.940 -5.434 24 HG3 ARG 3 HG1 ARG 3 53.644 1.313 -3.875 25 HD2 ARG 3 HD2 ARG 3 52.063 2.844 -5.069 26 HD3 ARG 3 HD1 ARG 3 52.800 2.356 -6.614 27 HE ARG 3 HE ARG 3 51.436 0.445 -6.497 28 HH11 ARG 3 HH11 ARG 3 50.415 1.986 -3.861 29 HH12 ARG 3 HH12 ARG 3 50.276 0.614 -2.815 30 HH21 ARG 3 HH21 ARG 3 52.026 -1.508 -4.925 31 HH22 ARG 3 HH22 ARG 3 51.187 -1.364 -3.417 32 H LYS 4 HN LYS 4 56.104 4.146 -1.958 33 HA LYS 4 HA LYS 4 58.493 5.640 -2.732 34 HB2 LYS 4 HB2 LYS 4 56.644 6.622 -4.189 35 HB3 LYS 4 HB1 LYS 4 55.872 7.181 -2.687 36 HG2 LYS 4 HG2 LYS 4 57.850 8.500 -2.108 37 HG3 LYS 4 HG1 LYS 4 58.724 7.865 -3.523 38 HD2 LYS 4 HD2 LYS 4 57.143 8.931 -5.042 39 HD3 LYS 4 HD1 LYS 4 56.122 9.446 -3.677 40 HE2 LYS 4 HE2 LYS 4 58.040 10.798 -2.801 41 HE3 LYS 4 HE1 LYS 4 58.983 10.345 -4.240 42 HZ1 LYS 4 HZ1 LYS 4 57.747 12.536 -4.327 43 HZ2 LYS 4 HZ2 LYS 4 56.314 11.629 -4.432 44 HZ3 LYS 4 HZ3 LYS 4 57.503 11.486 -5.636 45 H ARG 5 HN ARG 5 58.455 4.312 -0.537 46 HA ARG 5 HA ARG 5 58.296 4.344 1.800 47 HB2 ARG 5 HB2 ARG 5 59.183 7.172 1.122 48 HB3 ARG 5 HB1 ARG 5 59.228 6.486 2.766 49 HG2 ARG 5 HG2 ARG 5 60.703 4.671 1.991 50 HG3 ARG 5 HG1 ARG 5 60.628 5.303 0.327 51 HD2 ARG 5 HD2 ARG 5 62.700 6.038 1.486 52 HD3 ARG 5 HD1 ARG 5 61.660 7.420 1.069 53 HE ARG 5 HE ARG 5 60.943 6.637 3.686 54 HH11 ARG 5 HH11 ARG 5 63.380 8.223 1.872 55 HH12 ARG 5 HH12 ARG 5 64.210 8.843 3.259 56 HH21 ARG 5 HH21 ARG 5 62.145 7.242 5.538 57 HH22 ARG 5 HH22 ARG 5 63.510 8.288 5.336 58 H LYS 6 HN LYS 6 57.544 7.765 1.680 59 HA LYS 6 HA LYS 6 54.807 7.183 2.814 60 HB2 LYS 6 HB2 LYS 6 56.781 9.428 3.372 61 HB3 LYS 6 HB1 LYS 6 55.087 9.441 3.917 62 HG2 LYS 6 HG2 LYS 6 55.403 7.456 5.246 63 HG3 LYS 6 HG1 LYS 6 57.011 7.163 4.547 64 HD2 LYS 6 HD2 LYS 6 56.455 9.773 6.009 65 HD3 LYS 6 HD1 LYS 6 56.799 8.300 6.939 66 HE2 LYS 6 HE2 LYS 6 58.924 8.016 5.606 67 HE3 LYS 6 HE1 LYS 6 58.598 9.585 4.833 68 HZ1 LYS 6 HZ1 LYS 6 58.351 9.757 7.663 69 HZ2 LYS 6 HZ2 LYS 6 59.350 10.643 6.612 70 HZ3 LYS 6 HZ3 LYS 6 59.878 9.153 7.234 71 H TRP 7 HN TRP 7 53.305 9.115 2.517 72 HA TRP 7 HA TRP 7 52.130 10.471 1.055 73 HB2 TRP 7 HB2 TRP 7 54.742 11.072 -0.369 74 HB3 TRP 7 HB1 TRP 7 53.320 12.123 -0.159 75 HD1 TRP 7 HD1 TRP 7 52.759 12.048 2.823 76 HE1 TRP 7 HE1 TRP 7 54.427 12.943 4.606 77 HE3 TRP 7 HE3 TRP 7 57.079 11.785 0.088 78 HZ2 TRP 7 HZ2 TRP 7 57.254 13.463 4.788 79 HZ3 TRP 7 HZ3 TRP 7 59.250 12.486 1.086 80 HH2 TRP 7 HH2 TRP 7 59.342 13.323 3.430 81 H LEU 8 HN LEU 8 53.334 7.614 0.267 82 HA LEU 8 HA LEU 8 53.205 7.658 -2.632 83 HB2 LEU 8 HB2 LEU 8 53.434 5.275 -2.518 84 HB3 LEU 8 HB1 LEU 8 54.460 5.959 -1.243 85 HG LEU 8 HG LEU 8 51.664 4.787 -0.814 86 HD11 LEU 8 HD11 LEU 8 53.424 3.122 -1.412 87 HD12 LEU 8 HD12 LEU 8 52.851 2.940 0.264 88 HD13 LEU 8 HD13 LEU 8 54.417 3.721 -0.062 89 HD21 LEU 8 HD21 LEU 8 52.513 4.901 1.640 90 HD22 LEU 8 HD22 LEU 8 52.008 6.431 0.892 91 HD23 LEU 8 HD23 LEU 8 53.740 6.038 1.033 92 H ARG 9 HN ARG 9 50.846 8.729 -1.022 93 HA ARG 9 HA ARG 9 48.530 8.649 -1.138 94 HB2 ARG 9 HB2 ARG 9 49.391 7.594 -3.849 95 HB3 ARG 9 HB1 ARG 9 47.667 7.728 -3.440 96 HG2 ARG 9 HG2 ARG 9 48.577 9.757 -4.620 97 HG3 ARG 9 HG1 ARG 9 47.887 10.116 -3.020 98 HD2 ARG 9 HD2 ARG 9 50.053 10.296 -2.015 99 HD3 ARG 9 HD1 ARG 9 50.850 9.572 -3.433 100 HE ARG 9 HE ARG 9 50.143 12.366 -3.134 101 HH11 ARG 9 HH11 ARG 9 50.076 13.670 -4.999 102 HH12 ARG 9 HH12 ARG 9 50.469 12.965 -6.531 103 HH21 ARG 9 HH21 ARG 9 50.782 9.749 -5.269 104 HH22 ARG 9 HH22 ARG 9 50.868 10.745 -6.684 105 H ARG 10 HN ARG 10 49.522 6.694 0.450 106 HA ARG 10 HA ARG 10 48.798 4.026 -0.196 107 HB2 ARG 10 HB2 ARG 10 48.729 3.683 2.269 108 HB3 ARG 10 HB1 ARG 10 50.166 4.597 1.752 109 HG2 ARG 10 HG2 ARG 10 48.619 6.726 2.225 110 HG3 ARG 10 HG1 ARG 10 47.704 5.577 3.232 111 HD2 ARG 10 HD2 ARG 10 50.609 6.418 3.515 112 HD3 ARG 10 HD1 ARG 10 49.295 6.560 4.707 113 HE ARG 10 HE ARG 10 49.500 3.824 4.239 114 HH11 ARG 10 HH11 ARG 10 50.144 3.385 6.607 115 HH12 ARG 10 HH12 ARG 10 51.821 3.679 6.919 116 HH21 ARG 10 HH21 ARG 10 52.319 5.495 4.007 117 HH22 ARG 10 HH22 ARG 10 53.053 4.874 5.448 118 H ILE 11 HN ILE 11 46.970 6.478 1.655 119 HA ILE 11 HA ILE 11 44.422 5.077 0.866 120 HB ILE 11 HB ILE 11 44.974 4.946 3.353 121 HG12 ILE 11 HG12 ILE 11 42.553 6.652 2.602 122 HG13 ILE 11 HG11 ILE 11 42.639 4.881 2.467 123 HG21 ILE 11 HG21 ILE 11 45.008 6.914 4.702 124 HG22 ILE 11 HG22 ILE 11 44.411 7.937 3.373 125 HG23 ILE 11 HG23 ILE 11 46.067 7.289 3.322 126 HD11 ILE 11 HD1 ILE 11 42.677 6.591 4.975 127 HD12 ILE 11 HD2 ILE 11 43.252 4.906 4.990 128 HD13 ILE 11 HD3 ILE 11 41.567 5.270 4.553 129 H GLY 12 HN GLY 12 46.439 7.838 0.848 130 HA2 GLY 12 HA1 GLY 12 44.555 9.947 0.691 131 HA3 GLY 12 HA2 GLY 12 46.133 9.918 -0.129 132 H LYS 13 HN LYS 13 45.560 7.532 -1.689 133 HA LYS 13 HA LYS 13 44.553 8.665 -4.054 134 HB2 LYS 13 HB2 LYS 13 45.711 6.483 -3.944 135 HB3 LYS 13 HB1 LYS 13 44.302 5.784 -3.110 136 HG2 LYS 13 HG2 LYS 13 42.892 6.098 -5.035 137 HG3 LYS 13 HG1 LYS 13 44.111 7.108 -5.842 138 HD2 LYS 13 HD2 LYS 13 44.073 4.791 -6.762 139 HD3 LYS 13 HD1 LYS 13 45.639 5.184 -6.012 140 HE2 LYS 13 HE2 LYS 13 44.568 2.880 -5.444 141 HE3 LYS 13 HE1 LYS 13 45.187 3.856 -4.092 142 HZ1 LYS 13 HZ1 LYS 13 42.357 3.923 -5.011 143 HZ2 LYS 13 HZ2 LYS 13 43.001 4.594 -3.590 144 HZ3 LYS 13 HZ3 LYS 13 42.912 2.908 -3.770 145 H GLY 14 HN GLY 14 42.906 7.738 -1.192 146 HA2 GLY 14 HA1 GLY 14 40.246 7.632 -2.541 147 HA3 GLY 14 HA2 GLY 14 40.612 7.161 -0.872 148 H VAL 15 HN VAL 15 41.940 9.359 0.149 149 HA VAL 15 HA VAL 15 39.686 11.353 0.127 150 HB VAL 15 HB VAL 15 40.800 12.234 2.216 151 HG11 VAL 15 HG11 VAL 15 38.902 10.643 2.282 152 HG12 VAL 15 HG12 VAL 15 40.035 10.348 3.623 153 HG13 VAL 15 HG13 VAL 15 40.041 9.278 2.199 154 HG21 VAL 15 HG21 VAL 15 43.083 11.410 1.822 155 HG22 VAL 15 HG22 VAL 15 42.501 9.727 1.831 156 HG23 VAL 15 HG23 VAL 15 42.442 10.698 3.321 157 H LYS 16 HN LYS 16 43.254 11.139 -0.239 158 HA LYS 16 HA LYS 16 43.664 13.955 -0.507 159 HB2 LYS 16 HB2 LYS 16 45.445 12.177 -0.192 160 HB3 LYS 16 HB1 LYS 16 45.247 11.755 -1.905 161 HG2 LYS 16 HG2 LYS 16 45.723 14.679 -1.272 162 HG3 LYS 16 HG1 LYS 16 47.092 13.576 -1.041 163 HD2 LYS 16 HD2 LYS 16 46.784 12.751 -3.391 164 HD3 LYS 16 HD1 LYS 16 45.498 13.958 -3.616 165 HE2 LYS 16 HE2 LYS 16 48.387 14.566 -2.861 166 HE3 LYS 16 HE1 LYS 16 47.662 14.800 -4.469 167 HZ1 LYS 16 HZ1 LYS 16 47.647 16.574 -2.332 168 HZ2 LYS 16 HZ2 LYS 16 46.049 16.017 -2.486 169 HZ3 LYS 16 HZ3 LYS 16 46.833 16.733 -3.812 170 H ILE 17 HN ILE 17 42.690 11.434 -2.810 171 HA ILE 17 HA ILE 17 42.989 12.995 -5.188 172 HB ILE 17 HB ILE 17 42.530 10.465 -4.968 173 HG12 ILE 17 HG12 ILE 17 40.782 12.005 -6.946 174 HG13 ILE 17 HG11 ILE 17 42.530 11.751 -7.137 175 HG21 ILE 17 HG21 ILE 17 39.613 11.324 -4.998 176 HG22 ILE 17 HG22 ILE 17 40.462 10.894 -3.495 177 HG23 ILE 17 HG23 ILE 17 40.282 9.688 -4.790 178 HD11 ILE 17 HD1 ILE 17 42.012 9.223 -6.899 179 HD12 ILE 17 HD2 ILE 17 41.518 10.017 -8.414 180 HD13 ILE 17 HD3 ILE 17 40.309 9.678 -7.154 181 H ILE 18 HN ILE 18 41.151 13.656 -2.520 182 HA ILE 18 HA ILE 18 39.446 15.156 -2.117 183 HB ILE 18 HB ILE 18 39.576 16.007 -5.042 184 HG12 ILE 18 HG12 ILE 18 41.362 16.807 -2.697 185 HG13 ILE 18 HG11 ILE 18 41.874 16.005 -4.199 186 HG21 ILE 18 HG21 ILE 18 37.739 16.827 -3.437 187 HG22 ILE 18 HG22 ILE 18 38.710 18.088 -4.229 188 HG23 ILE 18 HG23 ILE 18 39.034 17.649 -2.536 189 HD11 ILE 18 HD1 ILE 18 42.419 18.286 -4.556 190 HD12 ILE 18 HD2 ILE 18 40.906 18.856 -3.813 191 HD13 ILE 18 HD3 ILE 18 40.874 18.081 -5.416 192 H GLY 19 HN GLY 19 38.032 13.377 -1.789 193 HA2 GLY 19 HA1 GLY 19 35.729 13.463 -3.605 194 HA3 GLY 19 HA2 GLY 19 36.583 11.906 -3.595 195 H GLY 20 HN GLY 20 36.547 13.904 -0.731 196 HA2 GLY 20 HA1 GLY 20 34.154 12.844 0.446 197 HA3 GLY 20 HA2 GLY 20 35.550 11.866 0.943 198 H ALA 21 HN ALA 21 37.546 13.757 1.145 199 HA ALA 21 HA ALA 21 37.173 14.774 3.739 200 HB1 ALA 21 HB1 ALA 21 38.955 15.847 1.523 201 HB2 ALA 21 HB2 ALA 21 39.367 14.559 2.680 202 HB3 ALA 21 HB3 ALA 21 39.119 16.226 3.253 203 H ALA 22 HN ALA 22 37.244 16.762 0.738 204 HA ALA 22 HA ALA 22 36.117 19.066 2.045 205 HB1 ALA 22 HB1 ALA 22 37.405 19.320 0.019 206 HB2 ALA 22 HB2 ALA 22 35.742 19.864 -0.306 207 HB3 ALA 22 HB3 ALA 22 36.286 18.269 -0.879 208 H LEU 23 HN LEU 23 34.731 16.398 0.132 209 HA LEU 23 HA LEU 23 32.025 17.538 0.245 210 HB2 LEU 23 HB2 LEU 23 32.762 14.676 -0.454 211 HB3 LEU 23 HB1 LEU 23 31.363 15.628 -1.004 212 HG LEU 23 HG LEU 23 34.287 16.138 -1.714 213 HD11 LEU 23 HD11 LEU 23 33.570 15.514 -3.987 214 HD12 LEU 23 HD12 LEU 23 31.909 15.246 -3.405 215 HD13 LEU 23 HD13 LEU 23 33.229 14.189 -2.851 216 HD21 LEU 23 HD21 LEU 23 33.156 17.809 -3.342 217 HD22 LEU 23 HD22 LEU 23 33.233 18.285 -1.631 218 HD23 LEU 23 HD23 LEU 23 31.712 17.655 -2.311 219 H ASP 24 HN ASP 24 33.099 17.398 2.820 220 HA ASP 24 HA ASP 24 31.040 15.784 4.116 221 HB2 ASP 24 HB2 ASP 24 32.736 14.032 3.682 222 HB3 ASP 24 HB1 ASP 24 33.955 15.008 4.535 223 H HIS 25 HN HIS 25 33.949 17.787 4.263 224 HA HIS 25 HA HIS 25 34.611 19.391 5.801 225 HB2 HIS 25 HB2 HIS 25 32.436 20.378 5.112 226 HB3 HIS 25 HB1 HIS 25 31.637 19.499 6.436 227 HD1 HIS 25 HD1 HIS 25 35.053 21.189 6.660 228 HD2 HIS 25 HD2 HIS 25 31.126 21.745 8.058 229 HE1 HIS 25 HE1 HIS 25 35.126 23.042 8.418 230 H LEU 26 HN LEU 26 35.850 18.519 7.353 231 HA LEU 26 HA LEU 26 34.631 18.010 9.958 232 HB2 LEU 26 HB2 LEU 26 35.773 15.612 9.983 233 HB3 LEU 26 HB1 LEU 26 34.140 15.816 9.310 234 HG LEU 26 HG LEU 26 35.032 15.926 7.036 235 HD11 LEU 26 HD11 LEU 26 37.130 17.043 7.282 236 HD12 LEU 26 HD12 LEU 26 37.551 15.397 6.759 237 HD13 LEU 26 HD13 LEU 26 37.717 15.856 8.470 238 HD21 LEU 26 HD21 LEU 26 34.611 13.695 8.136 239 HD22 LEU 26 HD22 LEU 26 36.340 13.623 8.550 240 HD23 LEU 26 HD23 LEU 26 35.833 13.631 6.844 Start of MODEL 91 1 H1 GLY 1 HT1 GLY 1 53.338 0.120 0.826 2 H2 GLY 1 HT2 GLY 1 53.387 -1.151 -0.300 3 H3 GLY 1 HT3 GLY 1 54.518 0.115 -0.389 4 HA2 GLY 1 HA1 GLY 1 54.294 -1.581 1.987 5 HA3 GLY 1 HA2 GLY 1 55.256 -2.076 0.579 6 H ARG 2 HN ARG 2 54.761 1.233 1.785 7 HA ARG 2 HA ARG 2 56.295 2.803 2.518 8 HB2 ARG 2 HB2 ARG 2 56.479 0.989 4.349 9 HB3 ARG 2 HB1 ARG 2 57.988 0.496 3.546 10 HG2 ARG 2 HG2 ARG 2 58.760 2.918 3.736 11 HG3 ARG 2 HG1 ARG 2 57.336 3.214 4.759 12 HD2 ARG 2 HD2 ARG 2 59.507 1.144 5.307 13 HD3 ARG 2 HD1 ARG 2 59.339 2.710 6.135 14 HE ARG 2 HE ARG 2 56.868 1.305 6.380 15 HH11 ARG 2 HH11 ARG 2 59.456 -0.555 6.775 16 HH12 ARG 2 HH12 ARG 2 59.439 -0.641 8.504 17 HH21 ARG 2 HH21 ARG 2 57.141 1.930 8.876 18 HH22 ARG 2 HH22 ARG 2 58.129 0.765 9.694 19 H ARG 3 HN ARG 3 56.512 2.349 -0.107 20 HA ARG 3 HA ARG 3 59.199 1.530 -0.895 21 HB2 ARG 3 HB2 ARG 3 57.060 3.094 -2.397 22 HB3 ARG 3 HB1 ARG 3 58.534 2.402 -3.116 23 HG2 ARG 3 HG2 ARG 3 57.814 0.136 -2.379 24 HG3 ARG 3 HG1 ARG 3 56.323 0.841 -1.708 25 HD2 ARG 3 HD2 ARG 3 56.018 -0.133 -4.012 26 HD3 ARG 3 HD1 ARG 3 55.622 1.600 -3.918 27 HE ARG 3 HE ARG 3 57.406 1.998 -5.407 28 HH11 ARG 3 HH11 ARG 3 57.537 -0.339 -6.877 29 HH12 ARG 3 HH12 ARG 3 59.024 -1.116 -6.450 30 HH21 ARG 3 HH21 ARG 3 59.436 0.700 -3.524 31 HH22 ARG 3 HH22 ARG 3 60.099 -0.529 -4.549 32 H LYS 4 HN LYS 4 57.680 4.475 0.197 33 HA LYS 4 HA LYS 4 60.266 5.817 0.304 34 HB2 LYS 4 HB2 LYS 4 59.351 7.796 -1.137 35 HB3 LYS 4 HB1 LYS 4 59.998 6.366 -1.976 36 HG2 LYS 4 HG2 LYS 4 57.767 5.478 -2.333 37 HG3 LYS 4 HG1 LYS 4 57.046 6.752 -1.323 38 HD2 LYS 4 HD2 LYS 4 57.805 8.474 -2.916 39 HD3 LYS 4 HD1 LYS 4 58.575 7.220 -3.919 40 HE2 LYS 4 HE2 LYS 4 55.599 7.440 -3.289 41 HE3 LYS 4 HE1 LYS 4 56.373 7.806 -4.850 42 HZ1 LYS 4 HZ1 LYS 4 57.251 5.418 -4.681 43 HZ2 LYS 4 HZ2 LYS 4 55.617 5.640 -5.092 44 HZ3 LYS 4 HZ3 LYS 4 56.044 5.186 -3.512 45 H ARG 5 HN ARG 5 59.494 5.694 2.520 46 HA ARG 5 HA ARG 5 58.494 6.620 4.392 47 HB2 ARG 5 HB2 ARG 5 58.351 9.059 2.573 48 HB3 ARG 5 HB1 ARG 5 58.126 9.086 4.336 49 HG2 ARG 5 HG2 ARG 5 60.647 7.861 3.154 50 HG3 ARG 5 HG1 ARG 5 60.512 9.627 3.302 51 HD2 ARG 5 HD2 ARG 5 60.238 7.612 5.582 52 HD3 ARG 5 HD1 ARG 5 61.614 8.697 5.290 53 HE ARG 5 HE ARG 5 59.233 10.270 5.481 54 HH11 ARG 5 HH11 ARG 5 58.115 9.800 7.701 55 HH12 ARG 5 HH12 ARG 5 59.213 9.963 9.031 56 HH21 ARG 5 HH21 ARG 5 62.053 9.822 7.045 57 HH22 ARG 5 HH22 ARG 5 61.443 9.975 8.659 58 H LYS 6 HN LYS 6 56.594 8.793 2.362 59 HA LYS 6 HA LYS 6 54.260 7.074 2.240 60 HB2 LYS 6 HB2 LYS 6 52.915 8.663 3.832 61 HB3 LYS 6 HB1 LYS 6 53.925 7.388 4.552 62 HG2 LYS 6 HG2 LYS 6 55.653 8.911 5.144 63 HG3 LYS 6 HG1 LYS 6 55.032 10.179 4.064 64 HD2 LYS 6 HD2 LYS 6 54.478 10.734 6.387 65 HD3 LYS 6 HD1 LYS 6 52.987 10.356 5.494 66 HE2 LYS 6 HE2 LYS 6 52.822 8.185 6.488 67 HE3 LYS 6 HE1 LYS 6 54.490 8.260 7.111 68 HZ1 LYS 6 HZ1 LYS 6 52.058 9.568 8.108 69 HZ2 LYS 6 HZ2 LYS 6 53.534 10.388 8.292 70 HZ3 LYS 6 HZ3 LYS 6 53.327 8.841 8.966 71 H TRP 7 HN TRP 7 54.246 7.750 0.102 72 HA TRP 7 HA TRP 7 52.822 10.264 -0.351 73 HB2 TRP 7 HB2 TRP 7 55.167 11.087 -0.212 74 HB3 TRP 7 HB1 TRP 7 55.623 9.956 -1.509 75 HD1 TRP 7 HD1 TRP 7 52.982 12.751 -0.952 76 HE1 TRP 7 HE1 TRP 7 52.670 14.065 -3.174 77 HE3 TRP 7 HE3 TRP 7 56.171 10.072 -3.930 78 HZ2 TRP 7 HZ2 TRP 7 53.683 13.942 -5.866 79 HZ3 TRP 7 HZ3 TRP 7 56.482 10.688 -6.323 80 HH2 TRP 7 HH2 TRP 7 55.241 12.619 -7.293 81 H LEU 8 HN LEU 8 53.711 7.133 -1.041 82 HA LEU 8 HA LEU 8 53.322 7.111 -3.905 83 HB2 LEU 8 HB2 LEU 8 53.421 4.746 -3.749 84 HB3 LEU 8 HB1 LEU 8 54.508 5.343 -2.480 85 HG LEU 8 HG LEU 8 51.658 4.302 -2.106 86 HD11 LEU 8 HD11 LEU 8 52.727 2.498 -0.899 87 HD12 LEU 8 HD12 LEU 8 54.316 3.291 -1.019 88 HD13 LEU 8 HD13 LEU 8 53.531 2.644 -2.480 89 HD21 LEU 8 HD21 LEU 8 51.961 6.104 -0.519 90 HD22 LEU 8 HD22 LEU 8 53.626 5.585 -0.156 91 HD23 LEU 8 HD23 LEU 8 52.249 4.590 0.366 92 H ARG 9 HN ARG 9 51.209 8.166 -1.749 93 HA ARG 9 HA ARG 9 48.921 8.415 -1.754 94 HB2 ARG 9 HB2 ARG 9 48.885 7.069 -4.475 95 HB3 ARG 9 HB1 ARG 9 47.720 8.232 -3.807 96 HG2 ARG 9 HG2 ARG 9 50.636 8.800 -4.501 97 HG3 ARG 9 HG1 ARG 9 49.208 9.370 -5.395 98 HD2 ARG 9 HD2 ARG 9 48.480 10.426 -3.102 99 HD3 ARG 9 HD1 ARG 9 50.189 10.209 -2.651 100 HE ARG 9 HE ARG 9 50.725 11.985 -4.110 101 HH11 ARG 9 HH11 ARG 9 47.486 12.109 -3.812 102 HH12 ARG 9 HH12 ARG 9 47.133 12.689 -5.404 103 HH21 ARG 9 HH21 ARG 9 50.334 12.124 -6.609 104 HH22 ARG 9 HH22 ARG 9 48.745 12.698 -6.987 105 H ARG 10 HN ARG 10 49.885 6.235 -0.360 106 HA ARG 10 HA ARG 10 48.767 3.718 -0.987 107 HB2 ARG 10 HB2 ARG 10 48.474 3.682 1.702 108 HB3 ARG 10 HB1 ARG 10 50.078 3.605 0.937 109 HG2 ARG 10 HG2 ARG 10 50.539 5.890 1.361 110 HG3 ARG 10 HG1 ARG 10 48.833 6.290 1.637 111 HD2 ARG 10 HD2 ARG 10 50.201 6.179 3.750 112 HD3 ARG 10 HD1 ARG 10 48.823 5.054 3.738 113 HE ARG 10 HE ARG 10 51.688 4.314 3.604 114 HH11 ARG 10 HH11 ARG 10 48.819 3.308 4.821 115 HH12 ARG 10 HH12 ARG 10 48.922 1.664 4.287 116 HH21 ARG 10 HH21 ARG 10 51.648 2.226 2.218 117 HH22 ARG 10 HH22 ARG 10 50.521 1.051 2.812 118 H ILE 11 HN ILE 11 47.270 5.491 1.685 119 HA ILE 11 HA ILE 11 44.581 4.865 0.515 120 HB ILE 11 HB ILE 11 43.723 5.401 2.798 121 HG12 ILE 11 HG12 ILE 11 45.882 5.284 4.537 122 HG13 ILE 11 HG11 ILE 11 46.607 6.204 3.205 123 HG21 ILE 11 HG21 ILE 11 45.990 3.361 2.789 124 HG22 ILE 11 HG22 ILE 11 44.374 3.093 2.093 125 HG23 ILE 11 HG23 ILE 11 44.556 3.352 3.845 126 HD11 ILE 11 HD1 ILE 11 45.552 7.654 4.953 127 HD12 ILE 11 HD2 ILE 11 43.976 6.921 4.579 128 HD13 ILE 11 HD3 ILE 11 44.823 7.886 3.348 129 H GLY 12 HN GLY 12 46.853 7.305 0.556 130 HA2 GLY 12 HA1 GLY 12 45.238 9.609 1.128 131 HA3 GLY 12 HA2 GLY 12 46.700 9.571 0.112 132 H LYS 13 HN LYS 13 45.726 7.586 -1.697 133 HA LYS 13 HA LYS 13 44.583 9.157 -3.726 134 HB2 LYS 13 HB2 LYS 13 45.624 6.805 -3.828 135 HB3 LYS 13 HB1 LYS 13 44.027 6.193 -3.336 136 HG2 LYS 13 HG2 LYS 13 43.109 7.607 -5.336 137 HG3 LYS 13 HG1 LYS 13 44.800 7.661 -5.884 138 HD2 LYS 13 HD2 LYS 13 43.067 5.193 -5.440 139 HD3 LYS 13 HD1 LYS 13 43.767 5.766 -6.972 140 HE2 LYS 13 HE2 LYS 13 45.213 4.561 -4.575 141 HE3 LYS 13 HE1 LYS 13 45.185 3.974 -6.258 142 HZ1 LYS 13 HZ1 LYS 13 47.091 5.104 -6.441 143 HZ2 LYS 13 HZ2 LYS 13 46.810 6.034 -5.047 144 HZ3 LYS 13 HZ3 LYS 13 46.121 6.492 -6.530 145 H GLY 14 HN GLY 14 43.161 7.752 -0.900 146 HA2 GLY 14 HA1 GLY 14 40.389 8.010 -1.956 147 HA3 GLY 14 HA2 GLY 14 40.886 7.275 -0.421 148 H VAL 15 HN VAL 15 42.581 9.449 0.485 149 HA VAL 15 HA VAL 15 40.411 11.484 1.056 150 HB VAL 15 HB VAL 15 41.642 11.879 3.216 151 HG11 VAL 15 HG11 VAL 15 39.619 10.435 3.048 152 HG12 VAL 15 HG12 VAL 15 40.741 9.864 4.307 153 HG13 VAL 15 HG13 VAL 15 40.665 9.030 2.737 154 HG21 VAL 15 HG21 VAL 15 43.143 9.958 3.950 155 HG22 VAL 15 HG22 VAL 15 43.843 11.004 2.693 156 HG23 VAL 15 HG23 VAL 15 43.167 9.417 2.256 157 H LYS 16 HN LYS 16 43.971 11.069 0.659 158 HA LYS 16 HA LYS 16 44.664 13.792 0.873 159 HB2 LYS 16 HB2 LYS 16 46.229 11.814 0.638 160 HB3 LYS 16 HB1 LYS 16 45.911 11.858 -1.113 161 HG2 LYS 16 HG2 LYS 16 46.606 14.325 -1.047 162 HG3 LYS 16 HG1 LYS 16 47.171 14.034 0.612 163 HD2 LYS 16 HD2 LYS 16 48.095 12.416 -1.806 164 HD3 LYS 16 HD1 LYS 16 48.970 13.825 -1.165 165 HE2 LYS 16 HE2 LYS 16 48.961 12.601 1.109 166 HE3 LYS 16 HE1 LYS 16 48.452 11.158 0.200 167 HZ1 LYS 16 HZ1 LYS 16 50.413 11.262 -1.114 168 HZ2 LYS 16 HZ2 LYS 16 50.896 11.389 0.510 169 HZ3 LYS 16 HZ3 LYS 16 50.855 12.771 -0.478 170 H ILE 17 HN ILE 17 43.856 11.979 -2.143 171 HA ILE 17 HA ILE 17 43.911 14.386 -3.746 172 HB ILE 17 HB ILE 17 44.147 11.915 -4.523 173 HG12 ILE 17 HG12 ILE 17 42.237 13.718 -6.089 174 HG13 ILE 17 HG11 ILE 17 44.002 13.917 -6.048 175 HG21 ILE 17 HG21 ILE 17 41.929 11.272 -3.403 176 HG22 ILE 17 HG22 ILE 17 42.170 10.693 -5.068 177 HG23 ILE 17 HG23 ILE 17 41.120 12.096 -4.757 178 HD11 ILE 17 HD1 ILE 17 43.597 12.659 -8.019 179 HD12 ILE 17 HD2 ILE 17 42.384 11.633 -7.222 180 HD13 ILE 17 HD3 ILE 17 44.109 11.440 -6.829 181 H ILE 18 HN ILE 18 41.964 13.744 -1.258 182 HA ILE 18 HA ILE 18 39.888 14.527 -0.601 183 HB ILE 18 HB ILE 18 39.876 16.257 -3.111 184 HG12 ILE 18 HG12 ILE 18 41.256 16.754 -0.431 185 HG13 ILE 18 HG11 ILE 18 42.073 16.470 -1.986 186 HG21 ILE 18 HG21 ILE 18 38.467 17.708 -1.828 187 HG22 ILE 18 HG22 ILE 18 38.843 16.860 -0.309 188 HG23 ILE 18 HG23 ILE 18 37.836 16.070 -1.545 189 HD11 ILE 18 HD1 ILE 18 40.703 18.510 -2.853 190 HD12 ILE 18 HD2 ILE 18 42.069 18.833 -1.760 191 HD13 ILE 18 HD3 ILE 18 40.406 18.860 -1.133 192 H GLY 19 HN GLY 19 39.062 12.387 -1.037 193 HA2 GLY 19 HA1 GLY 19 37.812 11.816 -3.599 194 HA3 GLY 19 HA2 GLY 19 37.652 10.876 -2.102 195 H GLY 20 HN GLY 20 36.475 13.701 -3.899 196 HA2 GLY 20 HA1 GLY 20 34.448 14.546 -2.135 197 HA3 GLY 20 HA2 GLY 20 34.384 14.693 -3.903 198 H ALA 21 HN ALA 21 34.734 11.569 -3.800 199 HA ALA 21 HA ALA 21 31.867 11.045 -4.058 200 HB1 ALA 21 HB1 ALA 21 34.207 9.110 -4.056 201 HB2 ALA 21 HB2 ALA 21 33.600 9.975 -5.488 202 HB3 ALA 21 HB3 ALA 21 32.563 8.793 -4.655 203 H ALA 22 HN ALA 22 33.199 11.808 -1.386 204 HA ALA 22 HA ALA 22 31.577 9.986 0.229 205 HB1 ALA 22 HB1 ALA 22 34.598 9.956 0.555 206 HB2 ALA 22 HB2 ALA 22 33.606 8.617 -0.069 207 HB3 ALA 22 HB3 ALA 22 33.423 9.151 1.620 208 H LEU 23 HN LEU 23 34.253 12.366 0.204 209 HA LEU 23 HA LEU 23 33.405 13.495 2.784 210 HB2 LEU 23 HB2 LEU 23 35.309 14.790 0.806 211 HB3 LEU 23 HB1 LEU 23 35.288 14.915 2.582 212 HG LEU 23 HG LEU 23 35.997 12.446 0.935 213 HD11 LEU 23 HD11 LEU 23 37.654 14.117 2.875 214 HD12 LEU 23 HD12 LEU 23 37.721 14.272 1.103 215 HD13 LEU 23 HD13 LEU 23 38.224 12.754 1.884 216 HD21 LEU 23 HD21 LEU 23 35.618 12.873 3.930 217 HD22 LEU 23 HD22 LEU 23 36.595 11.537 3.275 218 HD23 LEU 23 HD23 LEU 23 34.862 11.641 2.892 219 H ASP 24 HN ASP 24 31.145 13.585 1.485 220 HA ASP 24 HA ASP 24 30.614 16.429 1.233 221 HB2 ASP 24 HB2 ASP 24 31.627 15.942 -1.014 222 HB3 ASP 24 HB1 ASP 24 30.319 14.767 -1.300 223 H HIS 25 HN HIS 25 29.814 13.357 1.994 224 HA HIS 25 HA HIS 25 26.990 13.341 1.236 225 HB2 HIS 25 HB2 HIS 25 28.597 11.698 3.230 226 HB3 HIS 25 HB1 HIS 25 26.888 11.401 2.828 227 HD1 HIS 25 HD1 HIS 25 28.458 12.631 -0.170 228 HD2 HIS 25 HD2 HIS 25 28.379 8.910 1.791 229 HE1 HIS 25 HE1 HIS 25 29.127 10.854 -1.880 230 H LEU 26 HN LEU 26 28.250 15.624 2.880 231 HA LEU 26 HA LEU 26 27.093 15.489 5.513 232 HB2 LEU 26 HB2 LEU 26 28.027 17.754 3.725 233 HB3 LEU 26 HB1 LEU 26 27.304 18.080 5.312 234 HG LEU 26 HG LEU 26 29.861 17.937 5.232 235 HD11 LEU 26 HD11 LEU 26 28.338 17.555 7.314 236 HD12 LEU 26 HD12 LEU 26 30.024 17.004 7.398 237 HD13 LEU 26 HD13 LEU 26 28.723 15.832 7.111 238 HD21 LEU 26 HD21 LEU 26 29.864 15.937 3.667 239 HD22 LEU 26 HD22 LEU 26 29.360 14.934 5.048 240 HD23 LEU 26 HD23 LEU 26 30.924 15.778 5.085 Start of MODEL 92 1 H1 GLY 1 HT1 GLY 1 55.478 0.029 -4.867 2 H2 GLY 1 HT2 GLY 1 54.795 1.582 -4.760 3 H3 GLY 1 HT3 GLY 1 55.305 0.773 -3.354 4 HA2 GLY 1 HA1 GLY 1 57.554 0.732 -4.670 5 HA3 GLY 1 HA2 GLY 1 56.825 2.195 -5.362 6 H ARG 2 HN ARG 2 58.470 3.463 -4.397 7 HA ARG 2 HA ARG 2 57.713 4.458 -1.782 8 HB2 ARG 2 HB2 ARG 2 59.035 2.290 -1.286 9 HB3 ARG 2 HB1 ARG 2 60.464 3.168 -1.874 10 HG2 ARG 2 HG2 ARG 2 60.054 4.952 -0.192 11 HG3 ARG 2 HG1 ARG 2 58.631 4.060 0.399 12 HD2 ARG 2 HD2 ARG 2 60.154 2.093 0.863 13 HD3 ARG 2 HD1 ARG 2 61.535 3.139 0.461 14 HE ARG 2 HE ARG 2 59.993 4.498 2.417 15 HH11 ARG 2 HH11 ARG 2 61.303 1.343 2.193 16 HH12 ARG 2 HH12 ARG 2 62.015 1.371 3.771 17 HH21 ARG 2 HH21 ARG 2 61.140 4.666 4.400 18 HH22 ARG 2 HH22 ARG 2 61.923 3.251 5.020 19 H ARG 3 HN ARG 3 57.811 5.752 -4.140 20 HA ARG 3 HA ARG 3 60.425 7.010 -4.571 21 HB2 ARG 3 HB2 ARG 3 57.631 7.598 -5.621 22 HB3 ARG 3 HB1 ARG 3 59.086 8.499 -6.110 23 HG2 ARG 3 HG2 ARG 3 60.115 6.498 -7.005 24 HG3 ARG 3 HG1 ARG 3 58.825 5.472 -6.332 25 HD2 ARG 3 HD2 ARG 3 58.440 5.839 -8.732 26 HD3 ARG 3 HD1 ARG 3 57.165 6.639 -7.782 27 HE ARG 3 HE ARG 3 59.362 8.007 -9.267 28 HH11 ARG 3 HH11 ARG 3 56.186 8.272 -9.151 29 HH12 ARG 3 HH12 ARG 3 56.082 9.891 -8.541 30 HH21 ARG 3 HH21 ARG 3 59.427 10.047 -7.635 31 HH22 ARG 3 HH22 ARG 3 57.917 10.896 -7.684 32 H LYS 4 HN LYS 4 57.856 7.413 -2.358 33 HA LYS 4 HA LYS 4 59.046 9.996 -1.443 34 HB2 LYS 4 HB2 LYS 4 56.043 9.666 -1.785 35 HB3 LYS 4 HB1 LYS 4 56.942 11.138 -1.341 36 HG2 LYS 4 HG2 LYS 4 58.109 11.000 -3.588 37 HG3 LYS 4 HG1 LYS 4 56.989 9.685 -4.020 38 HD2 LYS 4 HD2 LYS 4 55.073 11.257 -3.485 39 HD3 LYS 4 HD1 LYS 4 56.274 12.561 -3.314 40 HE2 LYS 4 HE2 LYS 4 55.582 10.954 -5.798 41 HE3 LYS 4 HE1 LYS 4 55.525 12.719 -5.572 42 HZ1 LYS 4 HZ1 LYS 4 58.062 12.330 -5.050 43 HZ2 LYS 4 HZ2 LYS 4 57.506 12.517 -6.645 44 HZ3 LYS 4 HZ3 LYS 4 57.832 10.966 -6.032 45 H ARG 5 HN ARG 5 59.538 7.615 -0.258 46 HA ARG 5 HA ARG 5 59.318 6.449 1.738 47 HB2 ARG 5 HB2 ARG 5 58.284 9.177 2.597 48 HB3 ARG 5 HB1 ARG 5 58.709 7.862 3.720 49 HG2 ARG 5 HG2 ARG 5 61.010 7.812 2.750 50 HG3 ARG 5 HG1 ARG 5 60.577 9.184 1.703 51 HD2 ARG 5 HD2 ARG 5 60.136 10.589 3.666 52 HD3 ARG 5 HD1 ARG 5 60.459 9.215 4.751 53 HE ARG 5 HE ARG 5 62.464 10.907 3.571 54 HH11 ARG 5 HH11 ARG 5 63.003 9.309 5.990 55 HH12 ARG 5 HH12 ARG 5 64.077 8.078 5.413 56 HH21 ARG 5 HH21 ARG 5 63.295 8.590 2.074 57 HH22 ARG 5 HH22 ARG 5 64.241 7.671 3.195 58 H LYS 6 HN LYS 6 56.568 8.539 2.512 59 HA LYS 6 HA LYS 6 54.663 6.295 1.949 60 HB2 LYS 6 HB2 LYS 6 55.105 7.642 4.637 61 HB3 LYS 6 HB1 LYS 6 53.644 6.708 4.237 62 HG2 LYS 6 HG2 LYS 6 55.083 4.741 3.687 63 HG3 LYS 6 HG1 LYS 6 56.512 5.668 4.189 64 HD2 LYS 6 HD2 LYS 6 54.122 5.213 6.025 65 HD3 LYS 6 HD1 LYS 6 55.494 4.086 5.949 66 HE2 LYS 6 HE2 LYS 6 56.994 6.159 6.398 67 HE3 LYS 6 HE1 LYS 6 55.485 6.986 6.858 68 HZ1 LYS 6 HZ1 LYS 6 55.676 4.397 8.042 69 HZ2 LYS 6 HZ2 LYS 6 55.444 5.910 8.780 70 HZ3 LYS 6 HZ3 LYS 6 57.016 5.354 8.450 71 H TRP 7 HN TRP 7 54.333 7.948 0.189 72 HA TRP 7 HA TRP 7 52.009 9.580 0.924 73 HB2 TRP 7 HB2 TRP 7 54.606 10.882 0.016 74 HB3 TRP 7 HB1 TRP 7 53.021 11.681 -0.088 75 HD1 TRP 7 HD1 TRP 7 51.629 11.347 2.477 76 HE1 TRP 7 HE1 TRP 7 52.568 12.048 4.799 77 HE3 TRP 7 HE3 TRP 7 56.622 11.403 1.344 78 HZ2 TRP 7 HZ2 TRP 7 55.149 12.557 5.972 79 HZ3 TRP 7 HZ3 TRP 7 58.304 12.000 3.079 80 HH2 TRP 7 HH2 TRP 7 57.574 12.578 5.390 81 H LEU 8 HN LEU 8 53.394 7.442 -1.017 82 HA LEU 8 HA LEU 8 53.191 8.429 -3.654 83 HB2 LEU 8 HB2 LEU 8 52.136 5.638 -3.207 84 HB3 LEU 8 HB1 LEU 8 53.341 6.228 -4.368 85 HG LEU 8 HG LEU 8 54.573 4.873 -2.898 86 HD11 LEU 8 HD11 LEU 8 55.142 7.377 -1.324 87 HD12 LEU 8 HD12 LEU 8 55.276 7.498 -3.090 88 HD13 LEU 8 HD13 LEU 8 56.242 6.302 -2.204 89 HD21 LEU 8 HD21 LEU 8 54.282 5.501 -0.239 90 HD22 LEU 8 HD22 LEU 8 53.324 4.253 -1.057 91 HD23 LEU 8 HD23 LEU 8 52.635 5.870 -0.813 92 H ARG 9 HN ARG 9 50.697 6.382 -2.099 93 HA ARG 9 HA ARG 9 48.555 8.229 -2.605 94 HB2 ARG 9 HB2 ARG 9 47.415 6.652 -4.359 95 HB3 ARG 9 HB1 ARG 9 48.647 7.804 -4.919 96 HG2 ARG 9 HG2 ARG 9 49.012 5.565 -5.903 97 HG3 ARG 9 HG1 ARG 9 50.367 6.022 -4.850 98 HD2 ARG 9 HD2 ARG 9 49.702 4.524 -3.140 99 HD3 ARG 9 HD1 ARG 9 48.040 4.393 -3.770 100 HE ARG 9 HE ARG 9 50.293 2.782 -4.604 101 HH11 ARG 9 HH11 ARG 9 50.167 1.678 -6.595 102 HH12 ARG 9 HH12 ARG 9 48.709 1.791 -7.523 103 HH21 ARG 9 HH21 ARG 9 47.230 4.110 -5.411 104 HH22 ARG 9 HH22 ARG 9 47.047 3.169 -6.854 105 H ARG 10 HN ARG 10 49.857 6.128 -0.764 106 HA ARG 10 HA ARG 10 48.346 3.877 -0.294 107 HB2 ARG 10 HB2 ARG 10 48.567 4.672 2.285 108 HB3 ARG 10 HB1 ARG 10 49.972 4.135 1.342 109 HG2 ARG 10 HG2 ARG 10 50.571 6.438 0.810 110 HG3 ARG 10 HG1 ARG 10 49.094 7.048 1.588 111 HD2 ARG 10 HD2 ARG 10 51.344 5.521 2.976 112 HD3 ARG 10 HD1 ARG 10 51.071 7.275 3.070 113 HE ARG 10 HE ARG 10 49.008 6.841 4.329 114 HH11 ARG 10 HH11 ARG 10 51.483 4.947 5.192 115 HH12 ARG 10 HH12 ARG 10 50.561 3.591 5.750 116 HH21 ARG 10 HH21 ARG 10 47.579 4.718 4.385 117 HH22 ARG 10 HH22 ARG 10 48.352 3.461 5.291 118 H ILE 11 HN ILE 11 47.468 6.476 1.952 119 HA ILE 11 HA ILE 11 44.591 5.795 1.484 120 HB ILE 11 HB ILE 11 44.298 7.358 3.556 121 HG12 ILE 11 HG12 ILE 11 46.319 7.478 5.015 122 HG13 ILE 11 HG11 ILE 11 47.300 6.805 3.698 123 HG21 ILE 11 HG21 ILE 11 45.795 4.707 3.722 124 HG22 ILE 11 HG22 ILE 11 44.031 4.947 3.721 125 HG23 ILE 11 HG23 ILE 11 45.004 5.500 5.106 126 HD11 ILE 11 HD1 ILE 11 47.117 8.759 2.389 127 HD12 ILE 11 HD2 ILE 11 47.209 9.420 4.035 128 HD13 ILE 11 HD3 ILE 11 45.635 9.298 3.216 129 H GLY 12 HN GLY 12 46.838 7.811 0.222 130 HA2 GLY 12 HA1 GLY 12 45.499 10.351 0.250 131 HA3 GLY 12 HA2 GLY 12 46.713 9.810 -0.930 132 H LYS 13 HN LYS 13 45.398 7.546 -1.940 133 HA LYS 13 HA LYS 13 43.888 8.572 -4.049 134 HB2 LYS 13 HB2 LYS 13 44.723 6.247 -3.928 135 HB3 LYS 13 HB1 LYS 13 43.523 5.886 -2.663 136 HG2 LYS 13 HG2 LYS 13 41.687 6.258 -4.179 137 HG3 LYS 13 HG1 LYS 13 42.769 6.933 -5.419 138 HD2 LYS 13 HD2 LYS 13 42.126 4.576 -5.922 139 HD3 LYS 13 HD1 LYS 13 43.879 4.756 -5.684 140 HE2 LYS 13 HE2 LYS 13 43.821 3.723 -3.554 141 HE3 LYS 13 HE1 LYS 13 42.073 4.002 -3.358 142 HZ1 LYS 13 HZ1 LYS 13 42.854 1.668 -3.977 143 HZ2 LYS 13 HZ2 LYS 13 43.129 2.292 -5.534 144 HZ3 LYS 13 HZ3 LYS 13 41.567 2.324 -4.867 145 H GLY 14 HN GLY 14 43.011 8.256 -0.734 146 HA2 GLY 14 HA1 GLY 14 40.092 8.443 -1.308 147 HA3 GLY 14 HA2 GLY 14 40.855 8.164 0.268 148 H VAL 15 HN VAL 15 42.763 10.281 0.239 149 HA VAL 15 HA VAL 15 40.866 12.627 0.466 150 HB VAL 15 HB VAL 15 42.554 13.525 2.113 151 HG11 VAL 15 HG11 VAL 15 41.417 10.780 2.800 152 HG12 VAL 15 HG12 VAL 15 40.471 12.287 2.777 153 HG13 VAL 15 HG13 VAL 15 41.802 12.089 3.941 154 HG21 VAL 15 HG21 VAL 15 44.112 11.798 3.107 155 HG22 VAL 15 HG22 VAL 15 44.536 12.273 1.447 156 HG23 VAL 15 HG23 VAL 15 43.710 10.726 1.748 157 H LYS 16 HN LYS 16 44.188 11.674 -0.512 158 HA LYS 16 HA LYS 16 45.173 14.178 -1.257 159 HB2 LYS 16 HB2 LYS 16 46.500 12.114 -1.368 160 HB3 LYS 16 HB1 LYS 16 45.535 11.554 -2.755 161 HG2 LYS 16 HG2 LYS 16 46.326 13.350 -4.148 162 HG3 LYS 16 HG1 LYS 16 47.054 14.193 -2.760 163 HD2 LYS 16 HD2 LYS 16 48.645 12.319 -2.451 164 HD3 LYS 16 HD1 LYS 16 47.921 11.476 -3.841 165 HE2 LYS 16 HE2 LYS 16 50.005 12.738 -4.443 166 HE3 LYS 16 HE1 LYS 16 48.574 13.294 -5.342 167 HZ1 LYS 16 HZ1 LYS 16 48.352 15.148 -3.893 168 HZ2 LYS 16 HZ2 LYS 16 49.978 15.099 -4.381 169 HZ3 LYS 16 HZ3 LYS 16 49.537 14.564 -2.830 170 H ILE 17 HN ILE 17 43.542 11.902 -3.548 171 HA ILE 17 HA ILE 17 43.244 14.026 -5.520 172 HB ILE 17 HB ILE 17 41.834 12.373 -6.749 173 HG12 ILE 17 HG12 ILE 17 42.321 10.655 -4.269 174 HG13 ILE 17 HG11 ILE 17 40.751 11.313 -4.789 175 HG21 ILE 17 HG21 ILE 17 44.407 12.376 -6.748 176 HG22 ILE 17 HG22 ILE 17 43.625 10.860 -7.250 177 HG23 ILE 17 HG23 ILE 17 44.309 11.009 -5.612 178 HD11 ILE 17 HD1 ILE 17 41.205 10.064 -7.036 179 HD12 ILE 17 HD2 ILE 17 40.731 9.094 -5.621 180 HD13 ILE 17 HD3 ILE 17 42.438 9.168 -6.117 181 H ILE 18 HN ILE 18 41.957 14.123 -2.673 182 HA ILE 18 HA ILE 18 40.025 15.035 -1.782 183 HB ILE 18 HB ILE 18 39.284 15.905 -4.607 184 HG12 ILE 18 HG12 ILE 18 41.217 17.212 -2.636 185 HG13 ILE 18 HG11 ILE 18 41.659 16.468 -4.189 186 HG21 ILE 18 HG21 ILE 18 38.106 17.676 -3.505 187 HG22 ILE 18 HG22 ILE 18 38.900 17.339 -1.948 188 HG23 ILE 18 HG23 ILE 18 37.696 16.202 -2.599 189 HD11 ILE 18 HD1 ILE 18 41.515 18.784 -4.685 190 HD12 ILE 18 HD2 ILE 18 40.055 18.997 -3.692 191 HD13 ILE 18 HD3 ILE 18 39.958 18.133 -5.247 192 H GLY 19 HN GLY 19 38.678 13.521 -1.046 193 HA2 GLY 19 HA1 GLY 19 36.430 12.707 -2.719 194 HA3 GLY 19 HA2 GLY 19 37.561 11.379 -2.393 195 H GLY 20 HN GLY 20 37.723 10.492 -0.350 196 HA2 GLY 20 HA1 GLY 20 35.354 10.700 1.268 197 HA3 GLY 20 HA2 GLY 20 36.838 9.817 1.681 198 H ALA 21 HN ALA 21 36.368 10.542 3.879 199 HA ALA 21 HA ALA 21 36.721 11.971 5.671 200 HB1 ALA 21 HB1 ALA 21 39.038 11.837 4.623 201 HB2 ALA 21 HB2 ALA 21 38.725 13.264 5.641 202 HB3 ALA 21 HB3 ALA 21 38.689 13.409 3.867 203 H ALA 22 HN ALA 22 35.067 12.805 3.082 204 HA ALA 22 HA ALA 22 34.010 15.228 4.302 205 HB1 ALA 22 HB1 ALA 22 36.068 16.086 3.140 206 HB2 ALA 22 HB2 ALA 22 34.547 16.790 2.539 207 HB3 ALA 22 HB3 ALA 22 35.374 15.521 1.603 208 H LEU 23 HN LEU 23 34.369 13.711 1.059 209 HA LEU 23 HA LEU 23 31.419 13.941 0.661 210 HB2 LEU 23 HB2 LEU 23 33.463 12.832 -1.293 211 HB3 LEU 23 HB1 LEU 23 31.855 13.513 -1.636 212 HG LEU 23 HG LEU 23 34.276 15.038 -0.577 213 HD11 LEU 23 HD11 LEU 23 32.783 15.125 -3.237 214 HD12 LEU 23 HD12 LEU 23 34.415 14.464 -2.972 215 HD13 LEU 23 HD13 LEU 23 34.117 16.208 -2.768 216 HD21 LEU 23 HD21 LEU 23 31.374 15.834 -1.056 217 HD22 LEU 23 HD22 LEU 23 32.688 17.035 -1.057 218 HD23 LEU 23 HD23 LEU 23 32.360 16.079 0.405 219 H ASP 24 HN ASP 24 31.612 12.274 2.651 220 HA ASP 24 HA ASP 24 30.715 9.750 1.516 221 HB2 ASP 24 HB2 ASP 24 33.151 9.388 1.345 222 HB3 ASP 24 HB1 ASP 24 33.329 9.753 3.078 223 H HIS 25 HN HIS 25 30.755 12.121 3.794 224 HA HIS 25 HA HIS 25 30.436 10.830 6.283 225 HB2 HIS 25 HB2 HIS 25 29.125 12.797 6.946 226 HB3 HIS 25 HB1 HIS 25 30.529 13.289 5.968 227 HD1 HIS 25 HD1 HIS 25 26.874 13.578 6.170 228 HD2 HIS 25 HD2 HIS 25 29.727 13.657 3.083 229 HE1 HIS 25 HE1 HIS 25 25.774 14.680 4.146 230 H LEU 26 HN LEU 26 28.800 9.809 7.348 231 HA LEU 26 HA LEU 26 26.706 8.626 5.673 232 HB2 LEU 26 HB2 LEU 26 27.467 8.440 8.608 233 HB3 LEU 26 HB1 LEU 26 25.993 7.667 7.979 234 HG LEU 26 HG LEU 26 27.309 6.361 6.379 235 HD11 LEU 26 HD11 LEU 26 29.113 7.783 5.760 236 HD12 LEU 26 HD12 LEU 26 29.893 6.476 6.676 237 HD13 LEU 26 HD13 LEU 26 29.601 8.052 7.451 238 HD21 LEU 26 HD21 LEU 26 27.017 5.506 8.706 239 HD22 LEU 26 HD22 LEU 26 28.554 6.278 9.166 240 HD23 LEU 26 HD23 LEU 26 28.544 4.951 7.979 Start of MODEL 93 1 H1 GLY 1 HT1 GLY 1 58.419 -1.638 -2.604 2 H2 GLY 1 HT2 GLY 1 58.870 -2.890 -1.547 3 H3 GLY 1 HT3 GLY 1 59.892 -2.445 -2.830 4 HA2 GLY 1 HA1 GLY 1 60.235 -1.640 -0.364 5 HA3 GLY 1 HA2 GLY 1 60.731 -0.706 -1.789 6 H ARG 2 HN ARG 2 60.351 0.701 0.442 7 HA ARG 2 HA ARG 2 57.594 1.612 0.733 8 HB2 ARG 2 HB2 ARG 2 58.574 3.333 2.199 9 HB3 ARG 2 HB1 ARG 2 59.218 1.721 2.592 10 HG2 ARG 2 HG2 ARG 2 61.199 2.236 1.100 11 HG3 ARG 2 HG1 ARG 2 60.586 3.901 0.958 12 HD2 ARG 2 HD2 ARG 2 62.186 3.952 2.740 13 HD3 ARG 2 HD1 ARG 2 60.590 3.973 3.527 14 HE ARG 2 HE ARG 2 61.441 1.255 3.264 15 HH11 ARG 2 HH11 ARG 2 63.608 3.482 4.263 16 HH12 ARG 2 HH12 ARG 2 63.656 3.013 5.930 17 HH21 ARG 2 HH21 ARG 2 60.886 0.940 5.701 18 HH22 ARG 2 HH22 ARG 2 62.114 1.574 6.744 19 H ARG 3 HN ARG 3 60.031 2.142 -1.567 20 HA ARG 3 HA ARG 3 60.287 3.713 -3.253 21 HB2 ARG 3 HB2 ARG 3 57.301 3.975 -2.740 22 HB3 ARG 3 HB1 ARG 3 58.144 4.725 -4.116 23 HG2 ARG 3 HG2 ARG 3 58.967 2.472 -4.810 24 HG3 ARG 3 HG1 ARG 3 58.042 1.745 -3.474 25 HD2 ARG 3 HD2 ARG 3 56.815 3.450 -5.684 26 HD3 ARG 3 HD1 ARG 3 56.833 1.671 -5.683 27 HE ARG 3 HE ARG 3 55.715 2.475 -3.212 28 HH11 ARG 3 HH11 ARG 3 54.405 4.648 -4.680 29 HH12 ARG 3 HH12 ARG 3 52.991 3.892 -5.335 30 HH21 ARG 3 HH21 ARG 3 54.178 0.667 -4.878 31 HH22 ARG 3 HH22 ARG 3 52.862 1.640 -5.447 32 H LYS 4 HN LYS 4 57.665 5.735 -2.244 33 HA LYS 4 HA LYS 4 59.646 7.830 -1.398 34 HB2 LYS 4 HB2 LYS 4 56.716 8.158 -2.150 35 HB3 LYS 4 HB1 LYS 4 57.943 9.436 -1.970 36 HG2 LYS 4 HG2 LYS 4 59.260 8.325 -3.825 37 HG3 LYS 4 HG1 LYS 4 57.876 7.233 -4.074 38 HD2 LYS 4 HD2 LYS 4 56.411 9.235 -4.436 39 HD3 LYS 4 HD1 LYS 4 57.850 10.273 -4.303 40 HE2 LYS 4 HE2 LYS 4 58.879 9.155 -6.230 41 HE3 LYS 4 HE1 LYS 4 57.507 8.027 -6.337 42 HZ1 LYS 4 HZ1 LYS 4 56.127 9.639 -7.137 43 HZ2 LYS 4 HZ2 LYS 4 57.596 10.194 -7.784 44 HZ3 LYS 4 HZ3 LYS 4 56.957 10.912 -6.384 45 H ARG 5 HN ARG 5 59.267 5.932 0.534 46 HA ARG 5 HA ARG 5 58.560 5.648 2.727 47 HB2 ARG 5 HB2 ARG 5 58.383 8.679 2.512 48 HB3 ARG 5 HB1 ARG 5 58.312 7.768 4.041 49 HG2 ARG 5 HG2 ARG 5 60.542 6.849 3.652 50 HG3 ARG 5 HG1 ARG 5 60.608 7.604 2.041 51 HD2 ARG 5 HD2 ARG 5 60.311 9.152 4.650 52 HD3 ARG 5 HD1 ARG 5 61.855 8.901 3.801 53 HE ARG 5 HE ARG 5 60.013 9.997 1.931 54 HH11 ARG 5 HH11 ARG 5 60.938 12.036 1.262 55 HH12 ARG 5 HH12 ARG 5 61.295 13.189 2.505 56 HH21 ARG 5 HH21 ARG 5 60.769 10.952 5.102 57 HH22 ARG 5 HH22 ARG 5 61.198 12.576 4.679 58 H LYS 6 HN LYS 6 56.588 8.515 2.728 59 HA LYS 6 HA LYS 6 54.091 6.927 2.248 60 HB2 LYS 6 HB2 LYS 6 54.735 8.541 4.750 61 HB3 LYS 6 HB1 LYS 6 53.100 7.994 4.306 62 HG2 LYS 6 HG2 LYS 6 53.904 5.639 4.286 63 HG3 LYS 6 HG1 LYS 6 55.522 6.199 4.775 64 HD2 LYS 6 HD2 LYS 6 54.424 7.278 6.804 65 HD3 LYS 6 HD1 LYS 6 52.928 6.425 6.355 66 HE2 LYS 6 HE2 LYS 6 54.138 4.257 6.468 67 HE3 LYS 6 HE1 LYS 6 55.619 5.119 6.952 68 HZ1 LYS 6 HZ1 LYS 6 54.810 4.684 8.999 69 HZ2 LYS 6 HZ2 LYS 6 53.196 4.562 8.479 70 HZ3 LYS 6 HZ3 LYS 6 53.900 6.089 8.725 71 H TRP 7 HN TRP 7 54.154 8.176 0.255 72 HA TRP 7 HA TRP 7 52.684 10.702 0.582 73 HB2 TRP 7 HB2 TRP 7 55.461 10.676 -0.667 74 HB3 TRP 7 HB1 TRP 7 54.298 12.014 -0.815 75 HD1 TRP 7 HD1 TRP 7 57.062 10.862 1.289 76 HE1 TRP 7 HE1 TRP 7 57.141 12.116 3.565 77 HE3 TRP 7 HE3 TRP 7 52.419 13.020 1.185 78 HZ2 TRP 7 HZ2 TRP 7 55.404 13.819 5.105 79 HZ3 TRP 7 HZ3 TRP 7 51.652 14.455 3.071 80 HH2 TRP 7 HH2 TRP 7 53.139 14.856 5.028 81 H LEU 8 HN LEU 8 53.650 7.912 -1.082 82 HA LEU 8 HA LEU 8 53.189 8.558 -3.789 83 HB2 LEU 8 HB2 LEU 8 52.173 6.053 -3.757 84 HB3 LEU 8 HB1 LEU 8 53.915 6.362 -3.606 85 HG LEU 8 HG LEU 8 52.303 6.376 -1.041 86 HD11 LEU 8 HD11 LEU 8 52.494 3.889 -0.874 87 HD12 LEU 8 HD12 LEU 8 53.004 3.837 -2.578 88 HD13 LEU 8 HD13 LEU 8 51.372 4.408 -2.154 89 HD21 LEU 8 HD21 LEU 8 54.938 4.956 -1.607 90 HD22 LEU 8 HD22 LEU 8 54.340 5.637 -0.075 91 HD23 LEU 8 HD23 LEU 8 54.895 6.718 -1.374 92 H ARG 9 HN ARG 9 50.724 6.490 -2.350 93 HA ARG 9 HA ARG 9 48.631 8.466 -2.319 94 HB2 ARG 9 HB2 ARG 9 47.384 7.426 -4.359 95 HB3 ARG 9 HB1 ARG 9 48.677 8.605 -4.673 96 HG2 ARG 9 HG2 ARG 9 48.894 6.655 -6.170 97 HG3 ARG 9 HG1 ARG 9 50.282 6.751 -5.068 98 HD2 ARG 9 HD2 ARG 9 49.535 4.918 -3.771 99 HD3 ARG 9 HD1 ARG 9 47.856 5.068 -4.349 100 HE ARG 9 HE ARG 9 48.459 3.734 -6.196 101 HH11 ARG 9 HH11 ARG 9 50.831 5.763 -6.674 102 HH12 ARG 9 HH12 ARG 9 52.139 4.635 -6.793 103 HH21 ARG 9 HH21 ARG 9 50.319 1.983 -5.499 104 HH22 ARG 9 HH22 ARG 9 51.849 2.494 -6.129 105 H ARG 10 HN ARG 10 49.828 5.995 -0.981 106 HA ARG 10 HA ARG 10 48.177 3.756 -1.103 107 HB2 ARG 10 HB2 ARG 10 48.513 3.842 1.582 108 HB3 ARG 10 HB1 ARG 10 49.856 3.472 0.477 109 HG2 ARG 10 HG2 ARG 10 50.712 5.698 0.585 110 HG3 ARG 10 HG1 ARG 10 49.228 6.322 1.338 111 HD2 ARG 10 HD2 ARG 10 51.043 6.055 3.010 112 HD3 ARG 10 HD1 ARG 10 49.679 4.968 3.363 113 HE ARG 10 HE ARG 10 51.742 3.713 1.710 114 HH11 ARG 10 HH11 ARG 10 52.392 1.748 2.693 115 HH12 ARG 10 HH12 ARG 10 52.542 1.695 4.419 116 HH21 ARG 10 HH21 ARG 10 51.205 4.858 4.895 117 HH22 ARG 10 HH22 ARG 10 51.871 3.456 5.665 118 H ILE 11 HN ILE 11 47.583 5.759 1.752 119 HA ILE 11 HA ILE 11 44.690 5.287 1.464 120 HB ILE 11 HB ILE 11 45.683 5.195 3.712 121 HG12 ILE 11 HG12 ILE 11 44.238 6.762 4.911 122 HG13 ILE 11 HG11 ILE 11 44.053 7.771 3.463 123 HG21 ILE 11 HG21 ILE 11 46.671 7.242 4.733 124 HG22 ILE 11 HG22 ILE 11 46.520 8.076 3.169 125 HG23 ILE 11 HG23 ILE 11 47.602 6.673 3.329 126 HD11 ILE 11 HD1 ILE 11 42.153 6.063 4.055 127 HD12 ILE 11 HD2 ILE 11 43.267 4.835 3.409 128 HD13 ILE 11 HD3 ILE 11 42.699 6.163 2.367 129 H GLY 12 HN GLY 12 47.010 7.632 0.515 130 HA2 GLY 12 HA1 GLY 12 45.451 10.011 0.588 131 HA3 GLY 12 HA2 GLY 12 46.767 9.667 -0.559 132 H LYS 13 HN LYS 13 45.595 7.327 -1.711 133 HA LYS 13 HA LYS 13 44.142 8.419 -3.855 134 HB2 LYS 13 HB2 LYS 13 45.085 6.213 -4.025 135 HB3 LYS 13 HB1 LYS 13 44.154 5.640 -2.624 136 HG2 LYS 13 HG2 LYS 13 42.076 5.760 -3.851 137 HG3 LYS 13 HG1 LYS 13 42.851 6.639 -5.190 138 HD2 LYS 13 HD2 LYS 13 42.487 4.203 -5.691 139 HD3 LYS 13 HD1 LYS 13 44.201 4.678 -5.754 140 HE2 LYS 13 HE2 LYS 13 43.057 3.618 -3.149 141 HE3 LYS 13 HE1 LYS 13 43.496 2.481 -4.447 142 HZ1 LYS 13 HZ1 LYS 13 45.632 2.756 -3.994 143 HZ2 LYS 13 HZ2 LYS 13 45.195 3.658 -2.623 144 HZ3 LYS 13 HZ3 LYS 13 45.520 4.444 -4.093 145 H GLY 14 HN GLY 14 43.192 7.843 -0.604 146 HA2 GLY 14 HA1 GLY 14 40.283 7.830 -1.241 147 HA3 GLY 14 HA2 GLY 14 41.033 7.564 0.343 148 H VAL 15 HN VAL 15 42.725 9.790 0.531 149 HA VAL 15 HA VAL 15 40.652 11.978 0.746 150 HB VAL 15 HB VAL 15 42.256 12.972 2.434 151 HG11 VAL 15 HG11 VAL 15 40.254 11.623 3.063 152 HG12 VAL 15 HG12 VAL 15 41.587 11.425 4.225 153 HG13 VAL 15 HG13 VAL 15 41.254 10.153 3.026 154 HG21 VAL 15 HG21 VAL 15 43.905 11.333 3.433 155 HG22 VAL 15 HG22 VAL 15 44.329 11.860 1.789 156 HG23 VAL 15 HG23 VAL 15 43.601 10.258 2.050 157 H LYS 16 HN LYS 16 44.061 11.326 -0.156 158 HA LYS 16 HA LYS 16 44.717 13.973 -0.940 159 HB2 LYS 16 HB2 LYS 16 46.274 11.965 -0.719 160 HB3 LYS 16 HB1 LYS 16 45.690 11.445 -2.314 161 HG2 LYS 16 HG2 LYS 16 47.591 12.683 -2.922 162 HG3 LYS 16 HG1 LYS 16 46.328 13.927 -3.045 163 HD2 LYS 16 HD2 LYS 16 46.904 14.782 -0.813 164 HD3 LYS 16 HD1 LYS 16 48.080 13.466 -0.582 165 HE2 LYS 16 HE2 LYS 16 49.373 14.291 -2.535 166 HE3 LYS 16 HE1 LYS 16 48.209 15.621 -2.736 167 HZ1 LYS 16 HZ1 LYS 16 49.002 16.705 -0.938 168 HZ2 LYS 16 HZ2 LYS 16 50.419 15.835 -1.288 169 HZ3 LYS 16 HZ3 LYS 16 49.361 15.289 -0.076 170 H ILE 17 HN ILE 17 42.918 11.415 -2.608 171 HA ILE 17 HA ILE 17 42.969 12.516 -5.227 172 HB ILE 17 HB ILE 17 42.082 10.259 -4.728 173 HG12 ILE 17 HG12 ILE 17 40.125 10.247 -6.146 174 HG13 ILE 17 HG11 ILE 17 39.773 11.948 -5.799 175 HG21 ILE 17 HG21 ILE 17 41.052 10.894 -2.541 176 HG22 ILE 17 HG22 ILE 17 39.947 9.962 -3.580 177 HG23 ILE 17 HG23 ILE 17 39.750 11.724 -3.426 178 HD11 ILE 17 HD1 ILE 17 41.588 12.716 -7.126 179 HD12 ILE 17 HD2 ILE 17 40.943 11.350 -8.065 180 HD13 ILE 17 HD3 ILE 17 42.409 11.138 -7.078 181 H ILE 18 HN ILE 18 41.846 13.879 -2.390 182 HA ILE 18 HA ILE 18 40.675 15.814 -1.949 183 HB ILE 18 HB ILE 18 40.332 16.288 -4.944 184 HG12 ILE 18 HG12 ILE 18 42.744 16.814 -3.144 185 HG13 ILE 18 HG11 ILE 18 42.701 15.846 -4.633 186 HG21 ILE 18 HG21 ILE 18 39.125 17.693 -3.151 187 HG22 ILE 18 HG22 ILE 18 40.130 18.590 -4.311 188 HG23 ILE 18 HG23 ILE 18 40.737 18.271 -2.669 189 HD11 ILE 18 HD1 ILE 18 41.942 18.023 -5.819 190 HD12 ILE 18 HD2 ILE 18 43.645 17.918 -5.308 191 HD13 ILE 18 HD3 ILE 18 42.484 18.858 -4.342 192 H GLY 19 HN GLY 19 39.033 14.430 -1.100 193 HA2 GLY 19 HA1 GLY 19 36.447 15.000 -2.256 194 HA3 GLY 19 HA2 GLY 19 36.902 13.307 -2.530 195 H GLY 20 HN GLY 20 38.119 12.475 -0.322 196 HA2 GLY 20 HA1 GLY 20 35.942 12.186 1.532 197 HA3 GLY 20 HA2 GLY 20 37.611 11.632 1.772 198 H ALA 21 HN ALA 21 38.885 14.185 1.509 199 HA ALA 21 HA ALA 21 38.617 15.085 4.235 200 HB1 ALA 21 HB1 ALA 21 40.155 16.912 3.494 201 HB2 ALA 21 HB2 ALA 21 39.985 16.323 1.822 202 HB3 ALA 21 HB3 ALA 21 40.727 15.284 3.062 203 H ALA 22 HN ALA 22 37.674 16.532 1.088 204 HA ALA 22 HA ALA 22 36.502 18.886 2.242 205 HB1 ALA 22 HB1 ALA 22 37.169 18.528 -0.173 206 HB2 ALA 22 HB2 ALA 22 35.569 19.270 0.071 207 HB3 ALA 22 HB3 ALA 22 35.696 17.546 -0.357 208 H LEU 23 HN LEU 23 35.483 15.602 2.140 209 HA LEU 23 HA LEU 23 32.640 15.990 2.099 210 HB2 LEU 23 HB2 LEU 23 34.036 13.807 1.853 211 HB3 LEU 23 HB1 LEU 23 34.058 13.783 3.630 212 HG LEU 23 HG LEU 23 31.417 14.121 3.372 213 HD11 LEU 23 HD11 LEU 23 32.208 12.853 0.708 214 HD12 LEU 23 HD12 LEU 23 31.383 14.413 0.930 215 HD13 LEU 23 HD13 LEU 23 30.556 12.900 1.361 216 HD21 LEU 23 HD21 LEU 23 32.804 11.470 2.762 217 HD22 LEU 23 HD22 LEU 23 31.136 11.655 3.353 218 HD23 LEU 23 HD23 LEU 23 32.505 12.139 4.384 219 H ASP 24 HN ASP 24 35.035 16.734 4.437 220 HA ASP 24 HA ASP 24 32.965 17.686 6.302 221 HB2 ASP 24 HB2 ASP 24 33.267 15.243 6.893 222 HB3 ASP 24 HB1 ASP 24 34.965 15.613 7.282 223 H HIS 25 HN HIS 25 34.428 19.393 5.066 224 HA HIS 25 HA HIS 25 37.092 19.873 5.853 225 HB2 HIS 25 HB2 HIS 25 36.611 22.261 5.343 226 HB3 HIS 25 HB1 HIS 25 35.977 21.161 4.095 227 HD1 HIS 25 HD1 HIS 25 34.670 22.656 7.404 228 HD2 HIS 25 HD2 HIS 25 33.398 21.883 3.472 229 HE1 HIS 25 HE1 HIS 25 32.240 23.426 7.224 230 H LEU 26 HN LEU 26 38.027 21.300 7.404 231 HA LEU 26 HA LEU 26 36.956 20.946 10.050 232 HB2 LEU 26 HB2 LEU 26 39.180 22.640 8.864 233 HB3 LEU 26 HB1 LEU 26 38.763 22.755 10.589 234 HG LEU 26 HG LEU 26 39.208 20.384 10.918 235 HD11 LEU 26 HD11 LEU 26 40.196 19.082 8.918 236 HD12 LEU 26 HD12 LEU 26 39.526 20.371 7.890 237 HD13 LEU 26 HD13 LEU 26 38.442 19.372 8.890 238 HD21 LEU 26 HD21 LEU 26 41.430 21.585 9.206 239 HD22 LEU 26 HD22 LEU 26 41.608 20.362 10.488 240 HD23 LEU 26 HD23 LEU 26 41.127 22.025 10.903 Start of MODEL 94 1 H1 GLY 1 HT1 GLY 1 61.871 -1.517 3.921 2 H2 GLY 1 HT2 GLY 1 60.783 -2.821 3.961 3 H3 GLY 1 HT3 GLY 1 60.285 -1.275 4.464 4 HA2 GLY 1 HA1 GLY 1 61.328 -1.552 1.776 5 HA3 GLY 1 HA2 GLY 1 59.723 -2.227 2.118 6 H ARG 2 HN ARG 2 60.649 0.111 0.467 7 HA ARG 2 HA ARG 2 58.506 1.904 1.269 8 HB2 ARG 2 HB2 ARG 2 59.923 3.904 1.662 9 HB3 ARG 2 HB1 ARG 2 60.176 2.650 2.899 10 HG2 ARG 2 HG2 ARG 2 62.149 1.833 1.445 11 HG3 ARG 2 HG1 ARG 2 61.975 3.359 0.547 12 HD2 ARG 2 HD2 ARG 2 62.388 3.164 3.563 13 HD3 ARG 2 HD1 ARG 2 63.677 3.499 2.383 14 HE ARG 2 HE ARG 2 61.632 5.391 3.282 15 HH11 ARG 2 HH11 ARG 2 63.606 4.387 0.643 16 HH12 ARG 2 HH12 ARG 2 63.792 5.984 -0.000 17 HH21 ARG 2 HH21 ARG 2 61.936 7.496 2.507 18 HH22 ARG 2 HH22 ARG 2 62.846 7.744 1.054 19 H ARG 3 HN ARG 3 57.699 2.799 -0.509 20 HA ARG 3 HA ARG 3 59.295 2.611 -3.025 21 HB2 ARG 3 HB2 ARG 3 56.366 3.099 -2.376 22 HB3 ARG 3 HB1 ARG 3 57.018 3.375 -4.009 23 HG2 ARG 3 HG2 ARG 3 56.065 1.091 -3.780 24 HG3 ARG 3 HG1 ARG 3 57.812 1.042 -4.111 25 HD2 ARG 3 HD2 ARG 3 58.340 0.459 -1.872 26 HD3 ARG 3 HD1 ARG 3 56.747 0.976 -1.265 27 HE ARG 3 HE ARG 3 56.281 -1.111 -3.119 28 HH11 ARG 3 HH11 ARG 3 55.429 -1.099 -0.214 29 HH12 ARG 3 HH12 ARG 3 56.283 -2.474 0.403 30 HH21 ARG 3 HH21 ARG 3 58.456 -2.669 -2.292 31 HH22 ARG 3 HH22 ARG 3 57.996 -3.363 -0.773 32 H LYS 4 HN LYS 4 57.371 5.015 -1.173 33 HA LYS 4 HA LYS 4 59.219 7.155 -2.137 34 HB2 LYS 4 HB2 LYS 4 56.203 7.480 -2.335 35 HB3 LYS 4 HB1 LYS 4 57.474 8.556 -2.967 36 HG2 LYS 4 HG2 LYS 4 58.228 6.658 -4.462 37 HG3 LYS 4 HG1 LYS 4 56.799 5.742 -3.926 38 HD2 LYS 4 HD2 LYS 4 55.336 7.592 -4.735 39 HD3 LYS 4 HD1 LYS 4 56.778 8.452 -5.325 40 HE2 LYS 4 HE2 LYS 4 56.027 5.632 -6.195 41 HE3 LYS 4 HE1 LYS 4 55.569 7.096 -7.097 42 HZ1 LYS 4 HZ1 LYS 4 58.135 5.784 -6.882 43 HZ2 LYS 4 HZ2 LYS 4 58.207 7.468 -6.672 44 HZ3 LYS 4 HZ3 LYS 4 57.539 6.813 -8.091 45 H ARG 5 HN ARG 5 57.300 5.654 0.217 46 HA ARG 5 HA ARG 5 56.839 6.183 2.420 47 HB2 ARG 5 HB2 ARG 5 59.339 6.700 2.327 48 HB3 ARG 5 HB1 ARG 5 58.887 8.412 2.148 49 HG2 ARG 5 HG2 ARG 5 57.477 8.139 4.265 50 HG3 ARG 5 HG1 ARG 5 58.258 6.555 4.480 51 HD2 ARG 5 HD2 ARG 5 60.475 7.631 4.511 52 HD3 ARG 5 HD1 ARG 5 59.721 9.221 4.242 53 HE ARG 5 HE ARG 5 58.520 8.089 6.554 54 HH11 ARG 5 HH11 ARG 5 59.560 8.129 8.606 55 HH12 ARG 5 HH12 ARG 5 61.004 9.070 8.775 56 HH21 ARG 5 HH21 ARG 5 61.262 9.769 5.388 57 HH22 ARG 5 HH22 ARG 5 61.966 10.000 6.954 58 H LYS 6 HN LYS 6 54.930 7.001 2.890 59 HA LYS 6 HA LYS 6 53.133 8.472 2.915 60 HB2 LYS 6 HB2 LYS 6 55.448 10.345 3.528 61 HB3 LYS 6 HB1 LYS 6 53.734 10.767 3.757 62 HG2 LYS 6 HG2 LYS 6 53.501 8.733 5.237 63 HG3 LYS 6 HG1 LYS 6 55.259 8.500 5.115 64 HD2 LYS 6 HD2 LYS 6 53.955 11.077 6.101 65 HD3 LYS 6 HD1 LYS 6 54.496 9.773 7.181 66 HE2 LYS 6 HE2 LYS 6 56.806 10.018 5.989 67 HE3 LYS 6 HE1 LYS 6 56.171 11.573 5.400 68 HZ1 LYS 6 HZ1 LYS 6 56.226 10.765 8.262 69 HZ2 LYS 6 HZ2 LYS 6 55.813 12.288 7.634 70 HZ3 LYS 6 HZ3 LYS 6 57.412 11.725 7.520 71 H TRP 7 HN TRP 7 53.942 7.944 0.310 72 HA TRP 7 HA TRP 7 52.753 10.187 -1.070 73 HB2 TRP 7 HB2 TRP 7 55.766 9.823 -1.225 74 HB3 TRP 7 HB1 TRP 7 54.872 10.430 -2.638 75 HD1 TRP 7 HD1 TRP 7 52.917 12.455 -1.624 76 HE1 TRP 7 HE1 TRP 7 53.578 14.600 -0.318 77 HE3 TRP 7 HE3 TRP 7 57.513 10.978 0.095 78 HZ2 TRP 7 HZ2 TRP 7 55.806 15.524 1.248 79 HZ3 TRP 7 HZ3 TRP 7 58.888 12.513 1.492 80 HH2 TRP 7 HH2 TRP 7 58.039 14.783 2.068 81 H LEU 8 HN LEU 8 53.151 7.123 -0.537 82 HA LEU 8 HA LEU 8 53.462 6.065 -3.267 83 HB2 LEU 8 HB2 LEU 8 52.667 3.915 -1.969 84 HB3 LEU 8 HB1 LEU 8 54.281 4.581 -1.640 85 HG LEU 8 HG LEU 8 51.998 5.682 0.016 86 HD11 LEU 8 HD11 LEU 8 51.542 3.253 -0.007 87 HD12 LEU 8 HD12 LEU 8 52.088 3.802 1.594 88 HD13 LEU 8 HD13 LEU 8 53.210 2.931 0.519 89 HD21 LEU 8 HD21 LEU 8 54.702 4.711 1.020 90 HD22 LEU 8 HD22 LEU 8 53.679 6.033 1.638 91 HD23 LEU 8 HD23 LEU 8 54.585 6.243 0.123 92 H ARG 9 HN ARG 9 51.012 7.525 -1.449 93 HA ARG 9 HA ARG 9 48.771 7.851 -1.851 94 HB2 ARG 9 HB2 ARG 9 49.119 6.369 -4.478 95 HB3 ARG 9 HB1 ARG 9 47.879 7.565 -4.049 96 HG2 ARG 9 HG2 ARG 9 50.874 8.106 -4.280 97 HG3 ARG 9 HG1 ARG 9 49.627 8.602 -5.446 98 HD2 ARG 9 HD2 ARG 9 48.505 9.783 -3.374 99 HD3 ARG 9 HD1 ARG 9 50.121 9.633 -2.639 100 HE ARG 9 HE ARG 9 50.884 11.303 -4.129 101 HH11 ARG 9 HH11 ARG 9 47.939 12.156 -4.173 102 HH12 ARG 9 HH12 ARG 9 47.676 12.333 -5.876 103 HH21 ARG 9 HH21 ARG 9 50.534 10.582 -6.767 104 HH22 ARG 9 HH22 ARG 9 49.146 11.443 -7.345 105 H ARG 10 HN ARG 10 49.681 5.432 -0.420 106 HA ARG 10 HA ARG 10 48.348 3.069 -1.112 107 HB2 ARG 10 HB2 ARG 10 47.836 3.055 1.561 108 HB3 ARG 10 HB1 ARG 10 49.465 2.796 0.910 109 HG2 ARG 10 HG2 ARG 10 50.107 5.070 1.310 110 HG3 ARG 10 HG1 ARG 10 48.427 5.570 1.605 111 HD2 ARG 10 HD2 ARG 10 48.345 4.248 3.658 112 HD3 ARG 10 HD1 ARG 10 49.964 3.584 3.334 113 HE ARG 10 HE ARG 10 50.020 6.481 3.424 114 HH11 ARG 10 HH11 ARG 10 51.073 3.660 4.872 115 HH12 ARG 10 HH12 ARG 10 51.285 4.333 6.454 116 HH21 ARG 10 HH21 ARG 10 49.764 7.348 5.662 117 HH22 ARG 10 HH22 ARG 10 50.542 6.421 6.901 118 H ILE 11 HN ILE 11 46.795 4.800 1.530 119 HA ILE 11 HA ILE 11 44.145 4.264 0.310 120 HB ILE 11 HB ILE 11 44.522 3.807 2.726 121 HG12 ILE 11 HG12 ILE 11 42.633 6.182 2.379 122 HG13 ILE 11 HG11 ILE 11 42.269 4.561 1.751 123 HG21 ILE 11 HG21 ILE 11 46.180 5.722 2.992 124 HG22 ILE 11 HG22 ILE 11 44.979 5.584 4.295 125 HG23 ILE 11 HG23 ILE 11 44.789 6.828 3.036 126 HD11 ILE 11 HD1 ILE 11 41.212 4.692 3.897 127 HD12 ILE 11 HD2 ILE 11 42.658 5.401 4.650 128 HD13 ILE 11 HD3 ILE 11 42.664 3.695 4.138 129 H GLY 12 HN GLY 12 46.471 6.795 0.518 130 HA2 GLY 12 HA1 GLY 12 44.845 9.101 0.612 131 HA3 GLY 12 HA2 GLY 12 46.400 8.983 -0.238 132 H LYS 13 HN LYS 13 45.609 6.938 -2.096 133 HA LYS 13 HA LYS 13 44.671 8.483 -4.244 134 HB2 LYS 13 HB2 LYS 13 45.694 6.227 -4.449 135 HB3 LYS 13 HB1 LYS 13 44.211 5.509 -3.776 136 HG2 LYS 13 HG2 LYS 13 42.898 6.218 -5.657 137 HG3 LYS 13 HG1 LYS 13 44.196 7.280 -6.253 138 HD2 LYS 13 HD2 LYS 13 44.037 5.139 -7.543 139 HD3 LYS 13 HD1 LYS 13 45.612 5.341 -6.742 140 HE2 LYS 13 HE2 LYS 13 45.101 3.740 -5.067 141 HE3 LYS 13 HE1 LYS 13 43.350 3.829 -5.383 142 HZ1 LYS 13 HZ1 LYS 13 44.064 1.859 -6.388 143 HZ2 LYS 13 HZ2 LYS 13 45.463 2.569 -7.041 144 HZ3 LYS 13 HZ3 LYS 13 43.936 2.955 -7.677 145 H GLY 14 HN GLY 14 42.970 7.371 -1.497 146 HA2 GLY 14 HA1 GLY 14 40.307 7.638 -2.848 147 HA3 GLY 14 HA2 GLY 14 40.622 6.871 -1.281 148 H VAL 15 HN VAL 15 42.201 8.834 -0.029 149 HA VAL 15 HA VAL 15 40.110 10.974 0.343 150 HB VAL 15 HB VAL 15 41.280 11.362 2.549 151 HG11 VAL 15 HG11 VAL 15 40.168 8.588 1.940 152 HG12 VAL 15 HG12 VAL 15 39.250 10.020 2.466 153 HG13 VAL 15 HG13 VAL 15 40.396 9.238 3.582 154 HG21 VAL 15 HG21 VAL 15 42.751 9.482 3.348 155 HG22 VAL 15 HG22 VAL 15 43.478 10.423 2.027 156 HG23 VAL 15 HG23 VAL 15 42.756 8.830 1.694 157 H LYS 16 HN LYS 16 43.615 10.423 -0.087 158 HA LYS 16 HA LYS 16 44.305 13.224 0.064 159 HB2 LYS 16 HB2 LYS 16 45.884 11.245 0.333 160 HB3 LYS 16 HB1 LYS 16 45.795 11.032 -1.427 161 HG2 LYS 16 HG2 LYS 16 47.710 12.382 -1.229 162 HG3 LYS 16 HG1 LYS 16 46.454 13.607 -1.503 163 HD2 LYS 16 HD2 LYS 16 46.316 14.058 0.908 164 HD3 LYS 16 HD1 LYS 16 47.461 12.739 1.248 165 HE2 LYS 16 HE2 LYS 16 48.519 15.031 1.234 166 HE3 LYS 16 HE1 LYS 16 49.240 13.896 0.068 167 HZ1 LYS 16 HZ1 LYS 16 48.572 16.280 -0.676 168 HZ2 LYS 16 HZ2 LYS 16 47.007 15.625 -0.777 169 HZ3 LYS 16 HZ3 LYS 16 48.270 14.964 -1.702 170 H ILE 17 HN ILE 17 43.202 11.076 -2.511 171 HA ILE 17 HA ILE 17 43.961 12.505 -4.791 172 HB ILE 17 HB ILE 17 42.749 10.358 -4.882 173 HG12 ILE 17 HG12 ILE 17 41.157 12.551 -6.295 174 HG13 ILE 17 HG11 ILE 17 42.752 11.982 -6.832 175 HG21 ILE 17 HG21 ILE 17 40.418 10.157 -4.363 176 HG22 ILE 17 HG22 ILE 17 40.220 11.919 -4.225 177 HG23 ILE 17 HG23 ILE 17 41.145 11.029 -2.995 178 HD11 ILE 17 HD1 ILE 17 41.166 10.741 -8.117 179 HD12 ILE 17 HD2 ILE 17 40.149 10.416 -6.695 180 HD13 ILE 17 HD3 ILE 17 41.729 9.615 -6.861 181 H ILE 18 HN ILE 18 41.674 13.399 -2.310 182 HA ILE 18 HA ILE 18 41.205 15.992 -3.736 183 HB ILE 18 HB ILE 18 39.063 14.165 -2.555 184 HG12 ILE 18 HG12 ILE 18 39.825 14.085 -5.070 185 HG13 ILE 18 HG11 ILE 18 38.093 14.129 -4.704 186 HG21 ILE 18 HG21 ILE 18 38.524 16.290 -1.616 187 HG22 ILE 18 HG22 ILE 18 37.482 16.126 -3.043 188 HG23 ILE 18 HG23 ILE 18 38.935 17.152 -3.116 189 HD11 ILE 18 HD1 ILE 18 39.676 16.668 -5.294 190 HD12 ILE 18 HD2 ILE 18 37.915 16.436 -5.318 191 HD13 ILE 18 HD3 ILE 18 38.928 15.692 -6.573 192 H GLY 19 HN GLY 19 39.964 14.455 -0.737 193 HA2 GLY 19 HA1 GLY 19 41.765 15.784 1.026 194 HA3 GLY 19 HA2 GLY 19 40.322 16.797 0.837 195 H GLY 20 HN GLY 20 38.772 14.182 0.330 196 HA2 GLY 20 HA1 GLY 20 37.676 12.571 1.602 197 HA3 GLY 20 HA2 GLY 20 38.895 12.774 2.876 198 H ALA 21 HN ALA 21 38.291 15.789 2.739 199 HA ALA 21 HA ALA 21 36.443 15.812 4.944 200 HB1 ALA 21 HB1 ALA 21 37.389 18.038 3.106 201 HB2 ALA 21 HB2 ALA 21 38.111 17.560 4.661 202 HB3 ALA 21 HB3 ALA 21 36.483 18.281 4.617 203 H ALA 22 HN ALA 22 35.842 15.083 1.806 204 HA ALA 22 HA ALA 22 32.982 15.955 2.049 205 HB1 ALA 22 HB1 ALA 22 34.771 16.360 -0.377 206 HB2 ALA 22 HB2 ALA 22 34.009 17.627 0.614 207 HB3 ALA 22 HB3 ALA 22 33.001 16.545 -0.377 208 H LEU 23 HN LEU 23 35.401 14.083 0.171 209 HA LEU 23 HA LEU 23 33.376 12.194 -0.770 210 HB2 LEU 23 HB2 LEU 23 35.541 12.812 -1.974 211 HB3 LEU 23 HB1 LEU 23 36.399 11.864 -0.743 212 HG LEU 23 HG LEU 23 34.701 9.937 -1.404 213 HD11 LEU 23 HD11 LEU 23 34.133 10.058 -3.867 214 HD12 LEU 23 HD12 LEU 23 34.587 11.776 -3.840 215 HD13 LEU 23 HD13 LEU 23 33.216 11.200 -2.864 216 HD21 LEU 23 HD21 LEU 23 36.252 9.181 -3.184 217 HD22 LEU 23 HD22 LEU 23 37.142 9.867 -1.803 218 HD23 LEU 23 HD23 LEU 23 36.932 10.823 -3.289 219 H ASP 24 HN ASP 24 32.690 12.017 1.664 220 HA ASP 24 HA ASP 24 33.524 9.365 2.516 221 HB2 ASP 24 HB2 ASP 24 35.427 10.754 3.373 222 HB3 ASP 24 HB1 ASP 24 34.260 11.684 4.344 223 H HIS 25 HN HIS 25 31.495 12.063 2.458 224 HA HIS 25 HA HIS 25 29.965 11.553 4.866 225 HB2 HIS 25 HB2 HIS 25 29.982 13.716 3.570 226 HB3 HIS 25 HB1 HIS 25 29.035 12.903 2.303 227 HD1 HIS 25 HD1 HIS 25 28.593 12.356 6.054 228 HD2 HIS 25 HD2 HIS 25 26.532 14.046 2.800 229 HE1 HIS 25 HE1 HIS 25 26.264 13.005 6.880 230 H LEU 26 HN LEU 26 29.568 10.660 1.419 231 HA LEU 26 HA LEU 26 28.224 9.049 0.430 232 HB2 LEU 26 HB2 LEU 26 28.177 7.631 3.116 233 HB3 LEU 26 HB1 LEU 26 28.127 6.922 1.484 234 HG LEU 26 HG LEU 26 30.487 8.378 2.757 235 HD11 LEU 26 HD11 LEU 26 30.003 6.034 3.550 236 HD12 LEU 26 HD12 LEU 26 31.565 6.193 2.712 237 HD13 LEU 26 HD13 LEU 26 30.170 5.479 1.868 238 HD21 LEU 26 HD21 LEU 26 31.646 7.492 0.613 239 HD22 LEU 26 HD22 LEU 26 30.572 8.895 0.423 240 HD23 LEU 26 HD23 LEU 26 30.006 7.273 -0.042 Start of MODEL 95 1 H1 GLY 1 HT1 GLY 1 55.852 6.723 -6.429 2 H2 GLY 1 HT2 GLY 1 54.198 6.385 -6.622 3 H3 GLY 1 HT3 GLY 1 55.321 5.845 -7.777 4 HA2 GLY 1 HA1 GLY 1 54.361 4.478 -5.628 5 HA3 GLY 1 HA2 GLY 1 55.695 4.013 -6.702 6 H ARG 2 HN ARG 2 57.590 3.643 -5.783 7 HA ARG 2 HA ARG 2 57.977 4.137 -2.959 8 HB2 ARG 2 HB2 ARG 2 60.135 3.499 -5.001 9 HB3 ARG 2 HB1 ARG 2 60.125 3.127 -3.260 10 HG2 ARG 2 HG2 ARG 2 58.252 1.959 -5.368 11 HG3 ARG 2 HG1 ARG 2 59.581 1.106 -4.549 12 HD2 ARG 2 HD2 ARG 2 58.343 1.761 -2.334 13 HD3 ARG 2 HD1 ARG 2 56.943 2.060 -3.394 14 HE ARG 2 HE ARG 2 57.978 -0.503 -4.048 15 HH11 ARG 2 HH11 ARG 2 56.520 -2.171 -3.464 16 HH12 ARG 2 HH12 ARG 2 55.766 -2.104 -1.906 17 HH21 ARG 2 HH21 ARG 2 57.007 1.044 -1.149 18 HH22 ARG 2 HH22 ARG 2 56.041 -0.283 -0.596 19 H ARG 3 HN ARG 3 57.880 6.302 -5.409 20 HA ARG 3 HA ARG 3 60.247 7.839 -5.170 21 HB2 ARG 3 HB2 ARG 3 57.372 8.677 -5.703 22 HB3 ARG 3 HB1 ARG 3 58.769 9.771 -5.863 23 HG2 ARG 3 HG2 ARG 3 59.800 8.155 -7.479 24 HG3 ARG 3 HG1 ARG 3 58.328 7.160 -7.378 25 HD2 ARG 3 HD2 ARG 3 58.233 8.642 -9.349 26 HD3 ARG 3 HD1 ARG 3 56.979 9.094 -8.169 27 HE ARG 3 HE ARG 3 58.046 11.187 -8.036 28 HH11 ARG 3 HH11 ARG 3 60.287 11.456 -6.775 29 HH12 ARG 3 HH12 ARG 3 61.624 11.340 -7.869 30 HH21 ARG 3 HH21 ARG 3 59.770 9.859 -10.396 31 HH22 ARG 3 HH22 ARG 3 61.330 10.437 -9.920 32 H LYS 4 HN LYS 4 57.781 7.215 -2.865 33 HA LYS 4 HA LYS 4 59.064 9.143 -0.983 34 HB2 LYS 4 HB2 LYS 4 56.075 9.091 -1.580 35 HB3 LYS 4 HB1 LYS 4 56.835 9.964 -0.227 36 HG2 LYS 4 HG2 LYS 4 58.288 11.147 -1.981 37 HG3 LYS 4 HG1 LYS 4 57.205 10.450 -3.210 38 HD2 LYS 4 HD2 LYS 4 55.265 11.541 -2.144 39 HD3 LYS 4 HD1 LYS 4 56.324 12.212 -0.881 40 HE2 LYS 4 HE2 LYS 4 56.689 12.751 -3.858 41 HE3 LYS 4 HE1 LYS 4 55.795 13.828 -2.759 42 HZ1 LYS 4 HZ1 LYS 4 57.992 14.637 -2.849 43 HZ2 LYS 4 HZ2 LYS 4 58.672 13.091 -2.661 44 HZ3 LYS 4 HZ3 LYS 4 57.873 13.837 -1.360 45 H ARG 5 HN ARG 5 59.076 8.460 1.099 46 HA ARG 5 HA ARG 5 58.872 5.730 1.673 47 HB2 ARG 5 HB2 ARG 5 58.535 8.125 3.517 48 HB3 ARG 5 HB1 ARG 5 58.735 6.448 4.083 49 HG2 ARG 5 HG2 ARG 5 60.898 6.285 2.925 50 HG3 ARG 5 HG1 ARG 5 60.696 7.929 2.274 51 HD2 ARG 5 HD2 ARG 5 60.710 8.867 4.539 52 HD3 ARG 5 HD1 ARG 5 60.797 7.235 5.242 53 HE ARG 5 HE ARG 5 63.109 7.224 4.751 54 HH11 ARG 5 HH11 ARG 5 63.232 10.156 4.951 55 HH12 ARG 5 HH12 ARG 5 63.885 10.629 3.418 56 HH21 ARG 5 HH21 ARG 5 63.186 7.596 1.889 57 HH22 ARG 5 HH22 ARG 5 63.858 9.179 1.684 58 H LYS 6 HN LYS 6 56.534 8.176 2.905 59 HA LYS 6 HA LYS 6 54.302 6.271 2.317 60 HB2 LYS 6 HB2 LYS 6 54.623 7.532 5.064 61 HB3 LYS 6 HB1 LYS 6 53.467 6.278 4.552 62 HG2 LYS 6 HG2 LYS 6 55.452 4.779 4.052 63 HG3 LYS 6 HG1 LYS 6 56.490 6.005 4.819 64 HD2 LYS 6 HD2 LYS 6 55.156 5.812 6.910 65 HD3 LYS 6 HD1 LYS 6 54.154 4.555 6.143 66 HE2 LYS 6 HE2 LYS 6 56.153 3.135 5.830 67 HE3 LYS 6 HE1 LYS 6 57.172 4.394 6.568 68 HZ1 LYS 6 HZ1 LYS 6 55.295 4.108 8.436 69 HZ2 LYS 6 HZ2 LYS 6 56.744 3.221 8.425 70 HZ3 LYS 6 HZ3 LYS 6 55.317 2.529 7.816 71 H TRP 7 HN TRP 7 54.029 7.972 0.669 72 HA TRP 7 HA TRP 7 51.992 9.830 1.518 73 HB2 TRP 7 HB2 TRP 7 54.073 11.022 2.333 74 HB3 TRP 7 HB1 TRP 7 54.605 11.118 0.637 75 HD1 TRP 7 HD1 TRP 7 53.830 13.178 -0.628 76 HE1 TRP 7 HE1 TRP 7 51.973 14.979 -0.365 77 HE3 TRP 7 HE3 TRP 7 51.400 11.241 3.440 78 HZ2 TRP 7 HZ2 TRP 7 49.745 15.480 1.390 79 HZ3 TRP 7 HZ3 TRP 7 49.410 12.398 4.392 80 HH2 TRP 7 HH2 TRP 7 48.582 14.513 3.371 81 H LEU 8 HN LEU 8 53.364 7.853 -0.608 82 HA LEU 8 HA LEU 8 53.181 9.266 -3.108 83 HB2 LEU 8 HB2 LEU 8 52.806 6.758 -3.940 84 HB3 LEU 8 HB1 LEU 8 54.385 7.278 -3.321 85 HG LEU 8 HG LEU 8 52.422 6.250 -1.263 86 HD11 LEU 8 HD11 LEU 8 53.803 4.456 -3.302 87 HD12 LEU 8 HD12 LEU 8 52.056 4.590 -2.989 88 HD13 LEU 8 HD13 LEU 8 53.128 3.882 -1.759 89 HD21 LEU 8 HD21 LEU 8 54.388 5.526 -0.148 90 HD22 LEU 8 HD22 LEU 8 54.898 7.043 -0.926 91 HD23 LEU 8 HD23 LEU 8 55.343 5.482 -1.649 92 H ARG 9 HN ARG 9 51.082 6.462 -2.491 93 HA ARG 9 HA ARG 9 48.642 8.125 -2.654 94 HB2 ARG 9 HB2 ARG 9 47.773 6.781 -4.622 95 HB3 ARG 9 HB1 ARG 9 49.050 7.952 -5.007 96 HG2 ARG 9 HG2 ARG 9 49.589 5.908 -6.169 97 HG3 ARG 9 HG1 ARG 9 50.737 6.066 -4.827 98 HD2 ARG 9 HD2 ARG 9 49.800 4.274 -3.643 99 HD3 ARG 9 HD1 ARG 9 48.185 4.503 -4.356 100 HE ARG 9 HE ARG 9 50.320 2.866 -5.457 101 HH11 ARG 9 HH11 ARG 9 50.031 4.571 -7.756 102 HH12 ARG 9 HH12 ARG 9 48.633 3.955 -8.575 103 HH21 ARG 9 HH21 ARG 9 47.470 2.192 -5.826 104 HH22 ARG 9 HH22 ARG 9 47.184 2.608 -7.482 105 H ARG 10 HN ARG 10 50.245 5.891 -1.126 106 HA ARG 10 HA ARG 10 48.907 3.481 -1.012 107 HB2 ARG 10 HB2 ARG 10 49.445 3.442 1.419 108 HB3 ARG 10 HB1 ARG 10 50.803 4.012 0.422 109 HG2 ARG 10 HG2 ARG 10 49.750 6.431 0.928 110 HG3 ARG 10 HG1 ARG 10 49.026 5.580 2.315 111 HD2 ARG 10 HD2 ARG 10 51.374 4.728 2.866 112 HD3 ARG 10 HD1 ARG 10 51.979 5.889 1.660 113 HE ARG 10 HE ARG 10 51.560 7.609 3.220 114 HH11 ARG 10 HH11 ARG 10 48.970 7.932 3.908 115 HH12 ARG 10 HH12 ARG 10 48.717 7.158 5.437 116 HH21 ARG 10 HH21 ARG 10 51.596 5.235 5.239 117 HH22 ARG 10 HH22 ARG 10 50.202 5.630 6.191 118 H ILE 11 HN ILE 11 47.984 6.321 0.981 119 HA ILE 11 HA ILE 11 45.164 5.273 1.026 120 HB ILE 11 HB ILE 11 46.929 6.534 3.139 121 HG12 ILE 11 HG12 ILE 11 46.191 4.032 2.954 122 HG13 ILE 11 HG11 ILE 11 46.106 4.823 4.541 123 HG21 ILE 11 HG21 ILE 11 43.934 7.036 2.928 124 HG22 ILE 11 HG22 ILE 11 45.242 8.223 3.134 125 HG23 ILE 11 HG23 ILE 11 44.820 7.128 4.468 126 HD11 ILE 11 HD1 ILE 11 43.732 5.043 4.430 127 HD12 ILE 11 HD2 ILE 11 44.064 3.409 3.818 128 HD13 ILE 11 HD3 ILE 11 43.690 4.722 2.684 129 H GLY 12 HN GLY 12 47.382 7.700 0.087 130 HA2 GLY 12 HA1 GLY 12 45.738 10.019 0.151 131 HA3 GLY 12 HA2 GLY 12 47.036 9.712 -1.026 132 H LYS 13 HN LYS 13 45.837 7.277 -2.092 133 HA LYS 13 HA LYS 13 44.301 8.379 -4.202 134 HB2 LYS 13 HB2 LYS 13 45.340 6.168 -4.349 135 HB3 LYS 13 HB1 LYS 13 44.284 5.558 -3.053 136 HG2 LYS 13 HG2 LYS 13 42.328 5.730 -4.411 137 HG3 LYS 13 HG1 LYS 13 43.153 6.750 -5.614 138 HD2 LYS 13 HD2 LYS 13 42.871 4.387 -6.393 139 HD3 LYS 13 HD1 LYS 13 44.581 4.866 -6.279 140 HE2 LYS 13 HE2 LYS 13 44.909 3.631 -4.267 141 HE3 LYS 13 HE1 LYS 13 43.159 3.472 -3.978 142 HZ1 LYS 13 HZ1 LYS 13 44.493 2.322 -6.369 143 HZ2 LYS 13 HZ2 LYS 13 42.951 1.965 -5.749 144 HZ3 LYS 13 HZ3 LYS 13 44.343 1.464 -4.914 145 H GLY 14 HN GLY 14 43.510 7.920 -0.945 146 HA2 GLY 14 HA1 GLY 14 40.563 7.818 -1.477 147 HA3 GLY 14 HA2 GLY 14 41.369 7.468 0.064 148 H VAL 15 HN VAL 15 43.045 9.637 0.409 149 HA VAL 15 HA VAL 15 41.001 11.812 0.809 150 HB VAL 15 HB VAL 15 42.713 12.745 2.419 151 HG11 VAL 15 HG11 VAL 15 42.325 10.928 4.134 152 HG12 VAL 15 HG12 VAL 15 41.667 9.913 2.830 153 HG13 VAL 15 HG13 VAL 15 40.855 11.435 3.270 154 HG21 VAL 15 HG21 VAL 15 44.070 10.073 1.832 155 HG22 VAL 15 HG22 VAL 15 44.497 11.156 3.176 156 HG23 VAL 15 HG23 VAL 15 44.733 11.691 1.497 157 H LYS 16 HN LYS 16 44.261 11.182 -0.505 158 HA LYS 16 HA LYS 16 44.751 13.943 -1.212 159 HB2 LYS 16 HB2 LYS 16 46.480 12.079 -0.952 160 HB3 LYS 16 HB1 LYS 16 45.958 11.495 -2.550 161 HG2 LYS 16 HG2 LYS 16 46.448 13.766 -3.496 162 HG3 LYS 16 HG1 LYS 16 47.082 14.256 -1.906 163 HD2 LYS 16 HD2 LYS 16 48.720 12.356 -2.024 164 HD3 LYS 16 HD1 LYS 16 48.141 12.004 -3.671 165 HE2 LYS 16 HE2 LYS 16 48.816 14.236 -4.426 166 HE3 LYS 16 HE1 LYS 16 49.296 14.680 -2.771 167 HZ1 LYS 16 HZ1 LYS 16 51.291 13.884 -3.297 168 HZ2 LYS 16 HZ2 LYS 16 50.734 13.185 -4.742 169 HZ3 LYS 16 HZ3 LYS 16 50.613 12.329 -3.279 170 H ILE 17 HN ILE 17 42.975 11.313 -2.701 171 HA ILE 17 HA ILE 17 42.995 11.892 -5.402 172 HB ILE 17 HB ILE 17 41.598 10.121 -4.335 173 HG12 ILE 17 HG12 ILE 17 39.965 12.018 -6.089 174 HG13 ILE 17 HG11 ILE 17 41.231 10.933 -6.705 175 HG21 ILE 17 HG21 ILE 17 40.706 11.722 -2.542 176 HG22 ILE 17 HG22 ILE 17 39.504 10.638 -3.279 177 HG23 ILE 17 HG23 ILE 17 39.591 12.343 -3.782 178 HD11 ILE 17 HD1 ILE 17 38.585 10.190 -5.407 179 HD12 ILE 17 HD2 ILE 17 39.918 9.020 -5.560 180 HD13 ILE 17 HD3 ILE 17 39.192 9.740 -7.016 181 H ILE 18 HN ILE 18 41.795 13.941 -2.842 182 HA ILE 18 HA ILE 18 41.338 16.100 -4.801 183 HB ILE 18 HB ILE 18 39.130 14.899 -4.749 184 HG12 ILE 18 HG12 ILE 18 39.118 17.645 -3.410 185 HG13 ILE 18 HG11 ILE 18 39.324 17.363 -5.154 186 HG21 ILE 18 HG21 ILE 18 37.831 14.755 -2.753 187 HG22 ILE 18 HG22 ILE 18 38.917 15.851 -1.865 188 HG23 ILE 18 HG23 ILE 18 39.455 14.206 -2.280 189 HD11 ILE 18 HD1 ILE 18 36.880 16.813 -3.433 190 HD12 ILE 18 HD2 ILE 18 37.086 16.066 -5.036 191 HD13 ILE 18 HD3 ILE 18 37.004 17.836 -4.881 192 H GLY 19 HN GLY 19 41.017 14.959 -1.425 193 HA2 GLY 19 HA1 GLY 19 42.780 16.775 -0.278 194 HA3 GLY 19 HA2 GLY 19 41.230 17.639 -0.322 195 H GLY 20 HN GLY 20 39.886 14.879 -0.120 196 HA2 GLY 20 HA1 GLY 20 39.205 13.428 1.563 197 HA3 GLY 20 HA2 GLY 20 40.619 13.906 2.523 198 H ALA 21 HN ALA 21 39.741 16.817 2.106 199 HA ALA 21 HA ALA 21 38.300 17.029 4.599 200 HB1 ALA 21 HB1 ALA 21 39.827 18.775 3.762 201 HB2 ALA 21 HB2 ALA 21 38.198 19.425 4.071 202 HB3 ALA 21 HB3 ALA 21 38.722 19.086 2.403 203 H ALA 22 HN ALA 22 37.372 17.470 1.168 204 HA ALA 22 HA ALA 22 34.570 17.972 1.867 205 HB1 ALA 22 HB1 ALA 22 34.225 17.906 -0.574 206 HB2 ALA 22 HB2 ALA 22 35.897 17.335 -0.793 207 HB3 ALA 22 HB3 ALA 22 35.589 18.960 -0.136 208 H LEU 23 HN LEU 23 36.524 15.240 0.685 209 HA LEU 23 HA LEU 23 34.206 13.500 0.335 210 HB2 LEU 23 HB2 LEU 23 36.439 13.307 -0.882 211 HB3 LEU 23 HB1 LEU 23 37.124 12.708 0.644 212 HG LEU 23 HG LEU 23 35.151 10.964 0.589 213 HD11 LEU 23 HD11 LEU 23 33.813 11.840 -1.230 214 HD12 LEU 23 HD12 LEU 23 34.572 10.348 -1.821 215 HD13 LEU 23 HD13 LEU 23 35.225 11.928 -2.308 216 HD21 LEU 23 HD21 LEU 23 36.520 9.431 -0.798 217 HD22 LEU 23 HD22 LEU 23 37.542 10.393 0.296 218 HD23 LEU 23 HD23 LEU 23 37.436 10.819 -1.430 219 H ASP 24 HN ASP 24 33.370 14.123 2.561 220 HA ASP 24 HA ASP 24 33.748 11.870 4.314 221 HB2 ASP 24 HB2 ASP 24 34.691 13.122 6.269 222 HB3 ASP 24 HB1 ASP 24 35.847 12.937 4.927 223 H HIS 25 HN HIS 25 32.299 14.745 3.267 224 HA HIS 25 HA HIS 25 30.742 15.611 5.433 225 HB2 HIS 25 HB2 HIS 25 29.034 16.237 3.688 226 HB3 HIS 25 HB1 HIS 25 30.688 16.778 3.314 227 HD1 HIS 25 HD1 HIS 25 31.364 16.324 0.966 228 HD2 HIS 25 HD2 HIS 25 28.565 13.513 2.360 229 HE1 HIS 25 HE1 HIS 25 30.924 14.680 -0.939 230 H LEU 26 HN LEU 26 28.543 15.194 6.056 231 HA LEU 26 HA LEU 26 28.022 12.329 6.285 232 HB2 LEU 26 HB2 LEU 26 26.573 14.845 7.178 233 HB3 LEU 26 HB1 LEU 26 25.862 13.230 7.403 234 HG LEU 26 HG LEU 26 27.823 12.515 8.702 235 HD11 LEU 26 HD11 LEU 26 29.466 14.425 9.377 236 HD12 LEU 26 HD12 LEU 26 28.851 15.274 7.939 237 HD13 LEU 26 HD13 LEU 26 29.659 13.697 7.768 238 HD21 LEU 26 HD21 LEU 26 25.894 13.732 9.794 239 HD22 LEU 26 HD22 LEU 26 26.845 15.233 9.681 240 HD23 LEU 26 HD23 LEU 26 27.432 13.880 10.677 Start of MODEL 96 1 H1 GLY 1 HT1 GLY 1 52.972 0.631 -0.986 2 H2 GLY 1 HT2 GLY 1 53.189 0.518 0.696 3 H3 GLY 1 HT3 GLY 1 52.553 -0.797 -0.174 4 HA2 GLY 1 HA1 GLY 1 54.727 -1.371 0.244 5 HA3 GLY 1 HA2 GLY 1 54.669 -0.837 -1.447 6 H ARG 2 HN ARG 2 56.315 -0.585 1.438 7 HA ARG 2 HA ARG 2 57.032 2.149 1.609 8 HB2 ARG 2 HB2 ARG 2 58.825 -0.259 2.113 9 HB3 ARG 2 HB1 ARG 2 59.030 1.379 2.781 10 HG2 ARG 2 HG2 ARG 2 56.769 1.158 3.868 11 HG3 ARG 2 HG1 ARG 2 56.715 -0.532 3.311 12 HD2 ARG 2 HD2 ARG 2 58.858 -0.968 4.536 13 HD3 ARG 2 HD1 ARG 2 58.808 0.699 5.156 14 HE ARG 2 HE ARG 2 56.994 0.083 6.591 15 HH11 ARG 2 HH11 ARG 2 57.466 -2.286 4.150 16 HH12 ARG 2 HH12 ARG 2 56.728 -3.565 5.054 17 HH21 ARG 2 HH21 ARG 2 56.213 -1.628 7.883 18 HH22 ARG 2 HH22 ARG 2 56.021 -3.193 7.168 19 H ARG 3 HN ARG 3 57.960 3.472 0.204 20 HA ARG 3 HA ARG 3 60.318 2.660 -1.301 21 HB2 ARG 3 HB2 ARG 3 58.443 1.647 -2.662 22 HB3 ARG 3 HB1 ARG 3 57.826 3.296 -2.926 23 HG2 ARG 3 HG2 ARG 3 59.991 3.950 -3.935 24 HG3 ARG 3 HG1 ARG 3 60.613 2.304 -3.669 25 HD2 ARG 3 HD2 ARG 3 58.778 1.404 -5.102 26 HD3 ARG 3 HD1 ARG 3 58.229 3.068 -5.411 27 HE ARG 3 HE ARG 3 60.315 1.794 -6.838 28 HH11 ARG 3 HH11 ARG 3 59.161 4.474 -7.551 29 HH12 ARG 3 HH12 ARG 3 60.530 5.519 -7.355 30 HH21 ARG 3 HH21 ARG 3 62.347 3.224 -5.496 31 HH22 ARG 3 HH22 ARG 3 62.332 4.811 -6.190 32 H LYS 4 HN LYS 4 57.608 4.927 -0.885 33 HA LYS 4 HA LYS 4 59.540 7.209 -1.327 34 HB2 LYS 4 HB2 LYS 4 57.612 6.840 -3.036 35 HB3 LYS 4 HB1 LYS 4 56.529 7.372 -1.730 36 HG2 LYS 4 HG2 LYS 4 57.764 9.500 -1.541 37 HG3 LYS 4 HG1 LYS 4 58.913 8.961 -2.788 38 HD2 LYS 4 HD2 LYS 4 56.984 8.739 -4.390 39 HD3 LYS 4 HD1 LYS 4 55.924 9.442 -3.144 40 HE2 LYS 4 HE2 LYS 4 56.607 11.248 -4.597 41 HE3 LYS 4 HE1 LYS 4 57.502 11.436 -3.070 42 HZ1 LYS 4 HZ1 LYS 4 59.420 10.450 -4.052 43 HZ2 LYS 4 HZ2 LYS 4 58.882 11.666 -5.108 44 HZ3 LYS 4 HZ3 LYS 4 58.577 10.033 -5.463 45 H ARG 5 HN ARG 5 59.383 5.963 1.141 46 HA ARG 5 HA ARG 5 58.858 6.339 3.373 47 HB2 ARG 5 HB2 ARG 5 60.182 8.430 2.604 48 HB3 ARG 5 HB1 ARG 5 58.615 9.267 2.597 49 HG2 ARG 5 HG2 ARG 5 59.322 9.722 4.785 50 HG3 ARG 5 HG1 ARG 5 58.394 8.230 5.056 51 HD2 ARG 5 HD2 ARG 5 60.596 8.160 6.205 52 HD3 ARG 5 HD1 ARG 5 60.489 6.903 4.952 53 HE ARG 5 HE ARG 5 61.647 9.094 3.663 54 HH11 ARG 5 HH11 ARG 5 62.740 9.595 6.467 55 HH12 ARG 5 HH12 ARG 5 64.247 8.742 6.394 56 HH21 ARG 5 HH21 ARG 5 63.396 6.945 3.552 57 HH22 ARG 5 HH22 ARG 5 64.618 7.243 4.744 58 H LYS 6 HN LYS 6 56.636 5.557 1.879 59 HA LYS 6 HA LYS 6 54.314 5.583 1.911 60 HB2 LYS 6 HB2 LYS 6 54.840 6.759 4.670 61 HB3 LYS 6 HB1 LYS 6 53.288 6.084 4.118 62 HG2 LYS 6 HG2 LYS 6 54.434 3.904 3.668 63 HG3 LYS 6 HG1 LYS 6 55.938 4.590 4.330 64 HD2 LYS 6 HD2 LYS 6 54.683 5.075 6.473 65 HD3 LYS 6 HD1 LYS 6 53.302 4.173 5.803 66 HE2 LYS 6 HE2 LYS 6 54.660 2.150 5.605 67 HE3 LYS 6 HE1 LYS 6 56.113 3.035 6.128 68 HZ1 LYS 6 HZ1 LYS 6 54.587 3.591 8.165 69 HZ2 LYS 6 HZ2 LYS 6 55.436 2.121 8.091 70 HZ3 LYS 6 HZ3 LYS 6 53.783 2.172 7.698 71 H TRP 7 HN TRP 7 54.276 7.190 0.200 72 HA TRP 7 HA TRP 7 52.650 9.480 0.968 73 HB2 TRP 7 HB2 TRP 7 54.959 10.293 1.542 74 HB3 TRP 7 HB1 TRP 7 55.413 10.070 -0.164 75 HD1 TRP 7 HD1 TRP 7 54.909 12.007 -1.742 76 HE1 TRP 7 HE1 TRP 7 53.542 14.216 -1.634 77 HE3 TRP 7 HE3 TRP 7 52.627 11.325 2.790 78 HZ2 TRP 7 HZ2 TRP 7 51.713 15.487 0.190 79 HZ3 TRP 7 HZ3 TRP 7 51.075 13.050 3.696 80 HH2 TRP 7 HH2 TRP 7 50.616 15.128 2.401 81 H LEU 8 HN LEU 8 53.167 7.051 -0.966 82 HA LEU 8 HA LEU 8 53.104 8.329 -3.604 83 HB2 LEU 8 HB2 LEU 8 52.361 5.886 -4.248 84 HB3 LEU 8 HB1 LEU 8 54.024 6.171 -3.692 85 HG LEU 8 HG LEU 8 52.014 5.594 -1.526 86 HD11 LEU 8 HD11 LEU 8 52.311 3.090 -1.943 87 HD12 LEU 8 HD12 LEU 8 52.852 3.525 -3.584 88 HD13 LEU 8 HD13 LEU 8 51.206 3.944 -3.048 89 HD21 LEU 8 HD21 LEU 8 54.737 4.333 -2.037 90 HD22 LEU 8 HD22 LEU 8 53.866 4.492 -0.492 91 HD23 LEU 8 HD23 LEU 8 54.559 5.932 -1.274 92 H ARG 9 HN ARG 9 50.766 5.827 -2.829 93 HA ARG 9 HA ARG 9 48.501 7.787 -2.954 94 HB2 ARG 9 HB2 ARG 9 48.998 5.468 -4.863 95 HB3 ARG 9 HB1 ARG 9 47.398 6.200 -4.639 96 HG2 ARG 9 HG2 ARG 9 49.900 7.744 -5.465 97 HG3 ARG 9 HG1 ARG 9 48.672 7.143 -6.595 98 HD2 ARG 9 HD2 ARG 9 47.011 8.493 -4.950 99 HD3 ARG 9 HD1 ARG 9 48.496 9.421 -4.629 100 HE ARG 9 HE ARG 9 46.965 9.432 -7.114 101 HH11 ARG 9 HH11 ARG 9 49.905 8.600 -7.616 102 HH12 ARG 9 HH12 ARG 9 50.601 10.141 -7.996 103 HH21 ARG 9 HH21 ARG 9 47.919 11.955 -6.754 104 HH22 ARG 9 HH22 ARG 9 49.476 12.040 -7.508 105 H ARG 10 HN ARG 10 49.910 5.663 -1.091 106 HA ARG 10 HA ARG 10 48.173 3.524 -0.578 107 HB2 ARG 10 HB2 ARG 10 48.792 4.112 1.957 108 HB3 ARG 10 HB1 ARG 10 50.038 3.533 0.830 109 HG2 ARG 10 HG2 ARG 10 50.990 5.666 0.555 110 HG3 ARG 10 HG1 ARG 10 49.512 6.520 1.035 111 HD2 ARG 10 HD2 ARG 10 51.328 4.896 2.877 112 HD3 ARG 10 HD1 ARG 10 51.231 6.671 2.806 113 HE ARG 10 HE ARG 10 48.610 5.793 3.300 114 HH11 ARG 10 HH11 ARG 10 49.561 3.600 4.909 115 HH12 ARG 10 HH12 ARG 10 49.908 4.316 6.447 116 HH21 ARG 10 HH21 ARG 10 49.990 7.557 5.218 117 HH22 ARG 10 HH22 ARG 10 50.152 6.555 6.622 118 H ILE 11 HN ILE 11 48.007 6.178 1.755 119 HA ILE 11 HA ILE 11 45.095 5.862 1.941 120 HB ILE 11 HB ILE 11 46.426 6.247 3.996 121 HG12 ILE 11 HG12 ILE 11 45.137 8.056 4.984 122 HG13 ILE 11 HG11 ILE 11 44.794 8.761 3.393 123 HG21 ILE 11 HG21 ILE 11 47.635 8.329 4.359 124 HG22 ILE 11 HG22 ILE 11 47.077 8.973 2.796 125 HG23 ILE 11 HG23 ILE 11 48.209 7.602 2.841 126 HD11 ILE 11 HD1 ILE 11 43.942 5.913 4.021 127 HD12 ILE 11 HD2 ILE 11 43.264 7.047 2.826 128 HD13 ILE 11 HD3 ILE 11 42.950 7.290 4.559 129 H GLY 12 HN GLY 12 47.328 7.689 0.123 130 HA2 GLY 12 HA1 GLY 12 46.158 10.201 -0.166 131 HA3 GLY 12 HA2 GLY 12 46.974 9.328 -1.478 132 H LYS 13 HN LYS 13 45.369 7.248 -2.060 133 HA LYS 13 HA LYS 13 43.391 8.272 -3.737 134 HB2 LYS 13 HB2 LYS 13 43.421 5.649 -2.200 135 HB3 LYS 13 HB1 LYS 13 42.212 6.023 -3.450 136 HG2 LYS 13 HG2 LYS 13 44.084 6.455 -5.070 137 HG3 LYS 13 HG1 LYS 13 45.235 5.935 -3.824 138 HD2 LYS 13 HD2 LYS 13 42.936 4.105 -4.601 139 HD3 LYS 13 HD1 LYS 13 44.378 4.192 -5.632 140 HE2 LYS 13 HE2 LYS 13 44.473 3.611 -2.638 141 HE3 LYS 13 HE1 LYS 13 44.467 2.358 -3.898 142 HZ1 LYS 13 HZ1 LYS 13 46.713 3.085 -3.064 143 HZ2 LYS 13 HZ2 LYS 13 46.449 4.570 -3.846 144 HZ3 LYS 13 HZ3 LYS 13 46.506 3.131 -4.747 145 H GLY 14 HN GLY 14 43.346 8.191 -0.303 146 HA2 GLY 14 HA1 GLY 14 40.387 8.554 -0.166 147 HA3 GLY 14 HA2 GLY 14 41.486 8.263 1.193 148 H VAL 15 HN VAL 15 43.457 10.294 0.302 149 HA VAL 15 HA VAL 15 41.838 12.766 0.962 150 HB VAL 15 HB VAL 15 43.947 13.597 2.089 151 HG11 VAL 15 HG11 VAL 15 42.040 12.698 3.372 152 HG12 VAL 15 HG12 VAL 15 43.580 12.244 4.141 153 HG13 VAL 15 HG13 VAL 15 42.677 11.047 3.181 154 HG21 VAL 15 HG21 VAL 15 45.538 11.770 2.836 155 HG22 VAL 15 HG22 VAL 15 45.613 12.131 1.098 156 HG23 VAL 15 HG23 VAL 15 44.750 10.683 1.670 157 H LYS 16 HN LYS 16 44.791 11.512 -0.662 158 HA LYS 16 HA LYS 16 45.619 13.931 -1.851 159 HB2 LYS 16 HB2 LYS 16 46.789 11.660 -1.911 160 HB3 LYS 16 HB1 LYS 16 45.686 11.224 -3.232 161 HG2 LYS 16 HG2 LYS 16 47.522 12.049 -4.443 162 HG3 LYS 16 HG1 LYS 16 46.523 13.512 -4.311 163 HD2 LYS 16 HD2 LYS 16 47.861 14.301 -2.408 164 HD3 LYS 16 HD1 LYS 16 48.794 12.785 -2.399 165 HE2 LYS 16 HE2 LYS 16 49.757 13.270 -4.555 166 HE3 LYS 16 HE1 LYS 16 48.655 14.645 -4.805 167 HZ1 LYS 16 HZ1 LYS 16 51.080 15.005 -3.927 168 HZ2 LYS 16 HZ2 LYS 16 50.379 14.632 -2.424 169 HZ3 LYS 16 HZ3 LYS 16 49.797 15.943 -3.335 170 H ILE 17 HN ILE 17 43.529 11.403 -3.328 171 HA ILE 17 HA ILE 17 42.803 13.168 -5.532 172 HB ILE 17 HB ILE 17 42.890 10.547 -5.476 173 HG12 ILE 17 HG12 ILE 17 40.705 10.534 -7.040 174 HG13 ILE 17 HG11 ILE 17 40.800 12.294 -6.825 175 HG21 ILE 17 HG21 ILE 17 41.297 10.522 -3.443 176 HG22 ILE 17 HG22 ILE 17 40.962 9.364 -4.753 177 HG23 ILE 17 HG23 ILE 17 39.994 10.852 -4.610 178 HD11 ILE 17 HD1 ILE 17 43.117 12.293 -7.683 179 HD12 ILE 17 HD2 ILE 17 42.021 11.530 -8.856 180 HD13 ILE 17 HD3 ILE 17 43.072 10.522 -7.834 181 H ILE 18 HN ILE 18 42.181 13.716 -2.503 182 HA ILE 18 HA ILE 18 40.480 14.769 -1.331 183 HB ILE 18 HB ILE 18 39.209 15.384 -4.032 184 HG12 ILE 18 HG12 ILE 18 41.548 16.755 -2.626 185 HG13 ILE 18 HG11 ILE 18 41.609 15.897 -4.182 186 HG21 ILE 18 HG21 ILE 18 39.389 17.093 -1.517 187 HG22 ILE 18 HG22 ILE 18 38.056 15.949 -1.796 188 HG23 ILE 18 HG23 ILE 18 38.312 17.305 -2.917 189 HD11 ILE 18 HD1 ILE 18 39.769 17.576 -4.952 190 HD12 ILE 18 HD2 ILE 18 41.436 18.183 -4.796 191 HD13 ILE 18 HD3 ILE 18 40.241 18.527 -3.523 192 H GLY 19 HN GLY 19 39.795 12.671 -0.537 193 HA2 GLY 19 HA1 GLY 19 37.755 11.145 -1.860 194 HA3 GLY 19 HA2 GLY 19 38.194 11.045 -0.145 195 H GLY 20 HN GLY 20 35.978 12.280 -2.503 196 HA2 GLY 20 HA1 GLY 20 34.665 14.235 -0.861 197 HA3 GLY 20 HA2 GLY 20 33.981 13.427 -2.285 198 H ALA 21 HN ALA 21 34.795 10.839 -0.636 199 HA ALA 21 HA ALA 21 32.097 10.404 0.359 200 HB1 ALA 21 HB1 ALA 21 32.917 8.210 0.998 201 HB2 ALA 21 HB2 ALA 21 34.603 8.748 0.809 202 HB3 ALA 21 HB3 ALA 21 33.544 8.623 -0.616 203 H ALA 22 HN ALA 22 34.235 12.426 1.567 204 HA ALA 22 HA ALA 22 33.180 12.216 4.274 205 HB1 ALA 22 HB1 ALA 22 34.866 10.505 4.518 206 HB2 ALA 22 HB2 ALA 22 35.429 11.968 5.361 207 HB3 ALA 22 HB3 ALA 22 36.098 11.546 3.766 208 H LEU 23 HN LEU 23 35.815 13.488 2.208 209 HA LEU 23 HA LEU 23 35.950 15.998 3.726 210 HB2 LEU 23 HB2 LEU 23 37.204 14.974 1.154 211 HB3 LEU 23 HB1 LEU 23 37.411 16.659 1.684 212 HG LEU 23 HG LEU 23 38.424 15.936 3.780 213 HD11 LEU 23 HD11 LEU 23 38.910 13.396 4.016 214 HD12 LEU 23 HD12 LEU 23 37.624 13.165 2.806 215 HD13 LEU 23 HD13 LEU 23 37.255 13.946 4.364 216 HD21 LEU 23 HD21 LEU 23 40.476 14.991 2.908 217 HD22 LEU 23 HD22 LEU 23 39.801 16.050 1.646 218 HD23 LEU 23 HD23 LEU 23 39.623 14.284 1.516 219 H ASP 24 HN ASP 24 33.323 15.637 3.087 220 HA ASP 24 HA ASP 24 32.794 18.037 1.520 221 HB2 ASP 24 HB2 ASP 24 33.141 16.409 -0.319 222 HB3 ASP 24 HB1 ASP 24 31.884 15.363 0.384 223 H HIS 25 HN HIS 25 31.265 14.927 2.495 224 HA HIS 25 HA HIS 25 29.294 14.534 3.653 225 HB2 HIS 25 HB2 HIS 25 30.591 15.592 5.472 226 HB3 HIS 25 HB1 HIS 25 29.996 17.191 4.964 227 HD1 HIS 25 HD1 HIS 25 28.284 17.902 6.638 228 HD2 HIS 25 HD2 HIS 25 27.938 13.826 5.666 229 HE1 HIS 25 HE1 HIS 25 26.201 17.012 7.819 230 H LEU 26 HN LEU 26 28.176 14.847 1.574 231 HA LEU 26 HA LEU 26 26.830 17.441 1.162 232 HB2 LEU 26 HB2 LEU 26 25.613 15.963 -0.664 233 HB3 LEU 26 HB1 LEU 26 27.315 16.421 -0.888 234 HG LEU 26 HG LEU 26 28.074 14.251 -0.089 235 HD11 LEU 26 HD11 LEU 26 26.271 12.473 0.395 236 HD12 LEU 26 HD12 LEU 26 25.123 13.825 0.542 237 HD13 LEU 26 HD13 LEU 26 26.512 13.707 1.651 238 HD21 LEU 26 HD21 LEU 26 25.735 13.935 -2.020 239 HD22 LEU 26 HD22 LEU 26 27.103 12.811 -1.842 240 HD23 LEU 26 HD23 LEU 26 27.375 14.456 -2.467 Start of MODEL 97 1 H1 GLY 1 HT1 GLY 1 54.512 -0.538 6.452 2 H2 GLY 1 HT2 GLY 1 52.862 -0.927 6.562 3 H3 GLY 1 HT3 GLY 1 53.470 0.447 7.355 4 HA2 GLY 1 HA1 GLY 1 53.074 -0.014 4.488 5 HA3 GLY 1 HA2 GLY 1 52.405 1.272 5.510 6 H ARG 2 HN ARG 2 54.992 1.642 6.927 7 HA ARG 2 HA ARG 2 56.022 3.786 5.426 8 HB2 ARG 2 HB2 ARG 2 57.478 2.000 7.418 9 HB3 ARG 2 HB1 ARG 2 58.029 3.604 6.878 10 HG2 ARG 2 HG2 ARG 2 55.812 4.540 7.688 11 HG3 ARG 2 HG1 ARG 2 55.478 2.948 8.411 12 HD2 ARG 2 HD2 ARG 2 57.929 4.659 9.020 13 HD3 ARG 2 HD1 ARG 2 56.483 4.548 10.051 14 HE ARG 2 HE ARG 2 58.613 2.615 9.960 15 HH11 ARG 2 HH11 ARG 2 57.594 0.347 9.524 16 HH12 ARG 2 HH12 ARG 2 56.293 -0.006 10.611 17 HH21 ARG 2 HH21 ARG 2 55.891 3.285 11.623 18 HH22 ARG 2 HH22 ARG 2 55.329 1.657 11.799 19 H ARG 3 HN ARG 3 57.312 4.006 3.713 20 HA ARG 3 HA ARG 3 59.341 2.023 3.044 21 HB2 ARG 3 HB2 ARG 3 57.128 0.987 2.231 22 HB3 ARG 3 HB1 ARG 3 57.063 2.316 1.054 23 HG2 ARG 3 HG2 ARG 3 58.226 0.789 -0.259 24 HG3 ARG 3 HG1 ARG 3 59.620 1.497 0.585 25 HD2 ARG 3 HD2 ARG 3 58.267 -1.177 1.022 26 HD3 ARG 3 HD1 ARG 3 60.003 -0.795 0.914 27 HE ARG 3 HE ARG 3 58.659 0.357 3.264 28 HH11 ARG 3 HH11 ARG 3 60.345 -0.008 4.906 29 HH12 ARG 3 HH12 ARG 3 60.872 -1.646 5.099 30 HH21 ARG 3 HH21 ARG 3 59.328 -2.766 2.203 31 HH22 ARG 3 HH22 ARG 3 60.296 -3.207 3.570 32 H LYS 4 HN LYS 4 57.326 4.793 2.113 33 HA LYS 4 HA LYS 4 59.781 6.119 1.023 34 HB2 LYS 4 HB2 LYS 4 58.369 5.022 -0.844 35 HB3 LYS 4 HB1 LYS 4 57.126 6.234 -0.459 36 HG2 LYS 4 HG2 LYS 4 58.742 8.052 -0.888 37 HG3 LYS 4 HG1 LYS 4 60.017 6.856 -1.222 38 HD2 LYS 4 HD2 LYS 4 58.782 6.000 -3.145 39 HD3 LYS 4 HD1 LYS 4 57.398 7.055 -2.770 40 HE2 LYS 4 HE2 LYS 4 58.973 7.904 -4.603 41 HE3 LYS 4 HE1 LYS 4 58.652 9.040 -3.271 42 HZ1 LYS 4 HZ1 LYS 4 60.975 7.195 -3.244 43 HZ2 LYS 4 HZ2 LYS 4 60.722 8.591 -2.308 44 HZ3 LYS 4 HZ3 LYS 4 61.056 8.726 -3.969 45 H ARG 5 HN ARG 5 58.944 6.656 3.484 46 HA ARG 5 HA ARG 5 58.052 8.289 4.877 47 HB2 ARG 5 HB2 ARG 5 58.362 10.182 2.524 48 HB3 ARG 5 HB1 ARG 5 58.578 10.519 4.258 49 HG2 ARG 5 HG2 ARG 5 60.351 8.748 2.517 50 HG3 ARG 5 HG1 ARG 5 60.773 10.341 3.186 51 HD2 ARG 5 HD2 ARG 5 60.303 9.299 5.510 52 HD3 ARG 5 HD1 ARG 5 60.340 7.727 4.674 53 HE ARG 5 HE ARG 5 62.677 9.340 4.051 54 HH11 ARG 5 HH11 ARG 5 62.492 6.326 4.561 55 HH12 ARG 5 HH12 ARG 5 63.406 6.185 6.026 56 HH21 ARG 5 HH21 ARG 5 63.303 9.580 6.728 57 HH22 ARG 5 HH22 ARG 5 63.866 8.029 7.253 58 H LYS 6 HN LYS 6 56.163 6.776 3.166 59 HA LYS 6 HA LYS 6 53.911 6.828 2.616 60 HB2 LYS 6 HB2 LYS 6 53.803 9.201 4.519 61 HB3 LYS 6 HB1 LYS 6 52.456 8.131 4.056 62 HG2 LYS 6 HG2 LYS 6 53.776 6.192 5.016 63 HG3 LYS 6 HG1 LYS 6 54.945 7.379 5.645 64 HD2 LYS 6 HD2 LYS 6 53.206 8.459 6.975 65 HD3 LYS 6 HD1 LYS 6 51.959 7.406 6.266 66 HE2 LYS 6 HE2 LYS 6 54.342 6.426 7.897 67 HE3 LYS 6 HE1 LYS 6 52.691 6.631 8.530 68 HZ1 LYS 6 HZ1 LYS 6 53.776 4.487 7.017 69 HZ2 LYS 6 HZ2 LYS 6 52.455 5.167 6.192 70 HZ3 LYS 6 HZ3 LYS 6 52.266 4.600 7.783 71 H TRP 7 HN TRP 7 54.003 7.374 0.459 72 HA TRP 7 HA TRP 7 52.899 9.989 -0.213 73 HB2 TRP 7 HB2 TRP 7 55.333 10.524 0.094 74 HB3 TRP 7 HB1 TRP 7 55.709 9.360 -1.198 75 HD1 TRP 7 HD1 TRP 7 53.663 12.595 -0.638 76 HE1 TRP 7 HE1 TRP 7 53.516 13.904 -2.880 77 HE3 TRP 7 HE3 TRP 7 56.003 9.222 -3.698 78 HZ2 TRP 7 HZ2 TRP 7 54.319 13.511 -5.617 79 HZ3 TRP 7 HZ3 TRP 7 56.302 9.710 -6.120 80 HH2 TRP 7 HH2 TRP 7 55.462 11.849 -7.082 81 H LEU 8 HN LEU 8 53.806 6.752 -0.848 82 HA LEU 8 HA LEU 8 53.604 6.603 -3.663 83 HB2 LEU 8 HB2 LEU 8 52.242 4.345 -2.269 84 HB3 LEU 8 HB1 LEU 8 53.655 4.331 -3.346 85 HG LEU 8 HG LEU 8 54.926 5.389 -1.281 86 HD11 LEU 8 HD11 LEU 8 52.613 5.616 -0.047 87 HD12 LEU 8 HD12 LEU 8 54.007 5.010 0.876 88 HD13 LEU 8 HD13 LEU 8 52.782 3.875 0.263 89 HD21 LEU 8 HD21 LEU 8 55.265 3.042 -0.340 90 HD22 LEU 8 HD22 LEU 8 55.496 3.194 -2.099 91 HD23 LEU 8 HD23 LEU 8 53.991 2.494 -1.456 92 H ARG 9 HN ARG 9 51.301 7.641 -1.417 93 HA ARG 9 HA ARG 9 49.144 8.425 -1.770 94 HB2 ARG 9 HB2 ARG 9 50.113 8.645 -4.265 95 HB3 ARG 9 HB1 ARG 9 48.993 7.304 -4.579 96 HG2 ARG 9 HG2 ARG 9 47.590 9.138 -4.982 97 HG3 ARG 9 HG1 ARG 9 47.254 8.845 -3.262 98 HD2 ARG 9 HD2 ARG 9 47.635 11.182 -3.370 99 HD3 ARG 9 HD1 ARG 9 49.199 10.538 -2.816 100 HE ARG 9 HE ARG 9 50.126 11.308 -4.841 101 HH11 ARG 9 HH11 ARG 9 47.336 12.828 -4.923 102 HH12 ARG 9 HH12 ARG 9 46.969 12.622 -6.603 103 HH21 ARG 9 HH21 ARG 9 49.395 10.196 -7.107 104 HH22 ARG 9 HH22 ARG 9 48.136 11.130 -7.839 105 H ARG 10 HN ARG 10 49.883 5.767 -0.793 106 HA ARG 10 HA ARG 10 48.259 3.687 -1.757 107 HB2 ARG 10 HB2 ARG 10 48.108 3.141 0.873 108 HB3 ARG 10 HB1 ARG 10 49.641 2.987 -0.017 109 HG2 ARG 10 HG2 ARG 10 50.485 5.038 0.815 110 HG3 ARG 10 HG1 ARG 10 48.881 5.617 1.310 111 HD2 ARG 10 HD2 ARG 10 48.781 3.915 3.081 112 HD3 ARG 10 HD1 ARG 10 50.340 3.242 2.551 113 HE ARG 10 HE ARG 10 51.384 4.971 3.762 114 HH11 ARG 10 HH11 ARG 10 48.765 5.335 5.271 115 HH12 ARG 10 HH12 ARG 10 48.515 7.042 5.105 116 HH21 ARG 10 HH21 ARG 10 50.809 7.394 2.528 117 HH22 ARG 10 HH22 ARG 10 49.674 8.207 3.553 118 H ILE 11 HN ILE 11 47.215 5.019 1.342 119 HA ILE 11 HA ILE 11 44.410 4.815 0.480 120 HB ILE 11 HB ILE 11 45.054 4.152 2.774 121 HG12 ILE 11 HG12 ILE 11 43.368 6.703 2.844 122 HG13 ILE 11 HG11 ILE 11 42.770 5.146 2.232 123 HG21 ILE 11 HG21 ILE 11 45.925 5.717 4.376 124 HG22 ILE 11 HG22 ILE 11 45.640 7.097 3.288 125 HG23 ILE 11 HG23 ILE 11 46.912 5.913 2.911 126 HD11 ILE 11 HD1 ILE 11 43.669 5.832 5.054 127 HD12 ILE 11 HD2 ILE 11 43.464 4.153 4.501 128 HD13 ILE 11 HD3 ILE 11 42.075 5.262 4.516 129 H GLY 12 HN GLY 12 46.875 7.258 0.702 130 HA2 GLY 12 HA1 GLY 12 45.320 9.578 1.098 131 HA3 GLY 12 HA2 GLY 12 46.813 9.500 0.134 132 H LYS 13 HN LYS 13 45.926 7.695 -1.854 133 HA LYS 13 HA LYS 13 44.814 9.415 -3.777 134 HB2 LYS 13 HB2 LYS 13 45.854 7.281 -4.361 135 HB3 LYS 13 HB1 LYS 13 44.567 6.391 -3.513 136 HG2 LYS 13 HG2 LYS 13 42.907 7.077 -5.108 137 HG3 LYS 13 HG1 LYS 13 43.995 8.292 -5.822 138 HD2 LYS 13 HD2 LYS 13 43.797 6.208 -7.214 139 HD3 LYS 13 HD1 LYS 13 45.464 6.538 -6.687 140 HE2 LYS 13 HE2 LYS 13 45.416 4.817 -5.052 141 HE3 LYS 13 HE1 LYS 13 43.637 4.722 -5.067 142 HZ1 LYS 13 HZ1 LYS 13 45.328 3.127 -6.480 143 HZ2 LYS 13 HZ2 LYS 13 44.822 4.254 -7.647 144 HZ3 LYS 13 HZ3 LYS 13 43.674 3.336 -6.793 145 H GLY 14 HN GLY 14 43.341 7.993 -1.050 146 HA2 GLY 14 HA1 GLY 14 40.582 8.244 -2.166 147 HA3 GLY 14 HA2 GLY 14 41.049 7.429 -0.663 148 H VAL 15 HN VAL 15 42.643 9.419 0.555 149 HA VAL 15 HA VAL 15 40.478 11.428 1.174 150 HB VAL 15 HB VAL 15 41.832 11.805 3.291 151 HG11 VAL 15 HG11 VAL 15 40.791 8.992 2.740 152 HG12 VAL 15 HG12 VAL 15 39.814 10.390 3.252 153 HG13 VAL 15 HG13 VAL 15 41.033 9.704 4.353 154 HG21 VAL 15 HG21 VAL 15 43.996 10.921 2.540 155 HG22 VAL 15 HG22 VAL 15 43.271 9.322 2.250 156 HG23 VAL 15 HG23 VAL 15 43.406 9.951 3.908 157 H LYS 16 HN LYS 16 44.000 11.135 0.522 158 HA LYS 16 HA LYS 16 44.673 13.855 0.816 159 HB2 LYS 16 HB2 LYS 16 46.127 11.748 0.213 160 HB3 LYS 16 HB1 LYS 16 45.808 12.212 -1.471 161 HG2 LYS 16 HG2 LYS 16 47.063 13.982 0.679 162 HG3 LYS 16 HG1 LYS 16 47.925 13.201 -0.666 163 HD2 LYS 16 HD2 LYS 16 46.226 14.484 -2.202 164 HD3 LYS 16 HD1 LYS 16 45.918 15.482 -0.759 165 HE2 LYS 16 HE2 LYS 16 48.582 15.068 -2.178 166 HE3 LYS 16 HE1 LYS 16 47.647 16.577 -2.055 167 HZ1 LYS 16 HZ1 LYS 16 49.631 15.948 -0.404 168 HZ2 LYS 16 HZ2 LYS 16 48.335 15.270 0.459 169 HZ3 LYS 16 HZ3 LYS 16 48.320 16.920 0.056 170 H ILE 17 HN ILE 17 43.879 12.216 -2.295 171 HA ILE 17 HA ILE 17 43.494 14.764 -3.639 172 HB ILE 17 HB ILE 17 44.167 12.478 -4.680 173 HG12 ILE 17 HG12 ILE 17 41.916 14.047 -6.026 174 HG13 ILE 17 HG11 ILE 17 43.617 14.556 -5.985 175 HG21 ILE 17 HG21 ILE 17 42.462 10.945 -5.310 176 HG22 ILE 17 HG22 ILE 17 41.160 12.091 -4.907 177 HG23 ILE 17 HG23 ILE 17 42.114 11.333 -3.610 178 HD11 ILE 17 HD1 ILE 17 43.360 13.449 -8.077 179 HD12 ILE 17 HD2 ILE 17 42.407 12.132 -7.357 180 HD13 ILE 17 HD3 ILE 17 44.153 12.250 -7.032 181 H ILE 18 HN ILE 18 41.803 13.568 -1.206 182 HA ILE 18 HA ILE 18 39.645 13.864 -0.435 183 HB ILE 18 HB ILE 18 39.180 15.715 -2.812 184 HG12 ILE 18 HG12 ILE 18 41.336 16.216 -1.444 185 HG13 ILE 18 HG11 ILE 18 40.166 17.532 -1.646 186 HG21 ILE 18 HG21 ILE 18 37.945 15.444 -0.047 187 HG22 ILE 18 HG22 ILE 18 37.156 15.253 -1.629 188 HG23 ILE 18 HG23 ILE 18 37.694 16.862 -1.092 189 HD11 ILE 18 HD1 ILE 18 40.199 15.723 0.809 190 HD12 ILE 18 HD2 ILE 18 39.330 17.260 0.597 191 HD13 ILE 18 HD3 ILE 18 41.105 17.247 0.710 192 H GLY 19 HN GLY 19 38.892 11.809 -0.754 193 HA2 GLY 19 HA1 GLY 19 38.053 10.796 -3.300 194 HA3 GLY 19 HA2 GLY 19 37.611 10.139 -1.712 195 H GLY 20 HN GLY 20 36.148 10.744 -4.355 196 HA2 GLY 20 HA1 GLY 20 34.248 12.817 -3.844 197 HA3 GLY 20 HA2 GLY 20 34.031 11.452 -4.957 198 H ALA 21 HN ALA 21 34.482 9.490 -2.751 199 HA ALA 21 HA ALA 21 31.800 8.957 -2.083 200 HB1 ALA 21 HB1 ALA 21 33.773 7.401 -1.869 201 HB2 ALA 21 HB2 ALA 21 32.657 7.382 -0.483 202 HB3 ALA 21 HB3 ALA 21 34.204 8.255 -0.370 203 H ALA 22 HN ALA 22 34.316 10.430 0.026 204 HA ALA 22 HA ALA 22 32.399 11.108 2.089 205 HB1 ALA 22 HB1 ALA 22 34.780 10.800 2.576 206 HB2 ALA 22 HB2 ALA 22 34.261 12.443 3.024 207 HB3 ALA 22 HB3 ALA 22 35.186 12.179 1.527 208 H LEU 23 HN LEU 23 34.029 12.948 -0.512 209 HA LEU 23 HA LEU 23 32.589 15.409 0.152 210 HB2 LEU 23 HB2 LEU 23 34.895 15.260 -0.924 211 HB3 LEU 23 HB1 LEU 23 34.079 14.722 -2.406 212 HG LEU 23 HG LEU 23 32.609 16.902 -2.095 213 HD11 LEU 23 HD11 LEU 23 33.987 18.767 -1.073 214 HD12 LEU 23 HD12 LEU 23 35.072 17.530 -0.400 215 HD13 LEU 23 HD13 LEU 23 33.369 17.595 0.109 216 HD21 LEU 23 HD21 LEU 23 34.293 18.217 -3.369 217 HD22 LEU 23 HD22 LEU 23 34.192 16.540 -3.956 218 HD23 LEU 23 HD23 LEU 23 35.547 17.039 -2.914 219 H ASP 24 HN ASP 24 30.485 14.067 0.105 220 HA ASP 24 HA ASP 24 29.075 14.835 -2.317 221 HB2 ASP 24 HB2 ASP 24 30.129 12.765 -3.154 222 HB3 ASP 24 HB1 ASP 24 29.445 11.860 -1.782 223 H HIS 25 HN HIS 25 29.331 13.902 0.906 224 HA HIS 25 HA HIS 25 26.566 13.081 1.343 225 HB2 HIS 25 HB2 HIS 25 28.611 14.155 3.325 226 HB3 HIS 25 HB1 HIS 25 27.121 13.261 3.714 227 HD1 HIS 25 HD1 HIS 25 27.367 11.141 1.358 228 HD2 HIS 25 HD2 HIS 25 30.457 12.161 4.020 229 HE1 HIS 25 HE1 HIS 25 28.981 9.162 1.446 230 H LEU 26 HN LEU 26 27.895 15.983 0.430 231 HA LEU 26 HA LEU 26 27.178 18.186 0.557 232 HB2 LEU 26 HB2 LEU 26 24.420 17.104 1.219 233 HB3 LEU 26 HB1 LEU 26 24.856 18.531 0.249 234 HG LEU 26 HG LEU 26 25.317 15.610 -0.501 235 HD11 LEU 26 HD11 LEU 26 22.972 16.568 -0.692 236 HD12 LEU 26 HD12 LEU 26 23.675 16.015 -2.231 237 HD13 LEU 26 HD13 LEU 26 23.622 17.753 -1.849 238 HD21 LEU 26 HD21 LEU 26 26.034 16.703 -2.726 239 HD22 LEU 26 HD22 LEU 26 27.186 16.836 -1.377 240 HD23 LEU 26 HD23 LEU 26 26.165 18.226 -1.814 Start of MODEL 98 1 H1 GLY 1 HT1 GLY 1 52.644 -2.083 -4.936 2 H2 GLY 1 HT2 GLY 1 52.844 -2.438 -3.287 3 H3 GLY 1 HT3 GLY 1 54.123 -1.756 -4.175 4 HA2 GLY 1 HA1 GLY 1 52.582 0.161 -4.611 5 HA3 GLY 1 HA2 GLY 1 51.613 -0.524 -3.292 6 H ARG 2 HN ARG 2 54.559 1.118 -4.202 7 HA ARG 2 HA ARG 2 54.929 1.965 -1.375 8 HB2 ARG 2 HB2 ARG 2 57.067 0.516 -2.990 9 HB3 ARG 2 HB1 ARG 2 57.389 1.441 -1.504 10 HG2 ARG 2 HG2 ARG 2 55.663 -0.027 -0.339 11 HG3 ARG 2 HG1 ARG 2 55.647 -1.040 -1.803 12 HD2 ARG 2 HD2 ARG 2 57.961 -0.511 0.090 13 HD3 ARG 2 HD1 ARG 2 57.236 -2.074 -0.357 14 HE ARG 2 HE ARG 2 58.204 -0.920 -2.749 15 HH11 ARG 2 HH11 ARG 2 60.609 -0.037 -2.243 16 HH12 ARG 2 HH12 ARG 2 61.627 -1.340 -1.730 17 HH21 ARG 2 HH21 ARG 2 58.987 -3.462 -0.990 18 HH22 ARG 2 HH22 ARG 2 60.708 -3.281 -1.022 19 H ARG 3 HN ARG 3 55.877 2.107 -4.797 20 HA ARG 3 HA ARG 3 56.709 3.859 -6.067 21 HB2 ARG 3 HB2 ARG 3 54.932 5.346 -4.098 22 HB3 ARG 3 HB1 ARG 3 55.697 6.127 -5.503 23 HG2 ARG 3 HG2 ARG 3 54.602 4.482 -7.009 24 HG3 ARG 3 HG1 ARG 3 53.819 3.723 -5.602 25 HD2 ARG 3 HD2 ARG 3 52.256 5.281 -6.680 26 HD3 ARG 3 HD1 ARG 3 52.715 5.903 -5.077 27 HE ARG 3 HE ARG 3 54.527 7.024 -6.937 28 HH11 ARG 3 HH11 ARG 3 53.334 8.112 -8.874 29 HH12 ARG 3 HH12 ARG 3 52.091 9.201 -8.353 30 HH21 ARG 3 HH21 ARG 3 51.979 7.947 -5.122 31 HH22 ARG 3 HH22 ARG 3 51.325 9.108 -6.229 32 H LYS 4 HN LYS 4 56.552 6.224 -3.523 33 HA LYS 4 HA LYS 4 59.491 6.510 -3.652 34 HB2 LYS 4 HB2 LYS 4 57.592 8.108 -1.901 35 HB3 LYS 4 HB1 LYS 4 59.169 8.593 -2.566 36 HG2 LYS 4 HG2 LYS 4 58.137 8.326 -4.887 37 HG3 LYS 4 HG1 LYS 4 56.560 8.159 -4.075 38 HD2 LYS 4 HD2 LYS 4 56.886 10.367 -2.992 39 HD3 LYS 4 HD1 LYS 4 58.454 10.538 -3.819 40 HE2 LYS 4 HE2 LYS 4 57.363 10.489 -6.004 41 HE3 LYS 4 HE1 LYS 4 55.786 10.160 -5.246 42 HZ1 LYS 4 HZ1 LYS 4 57.438 12.616 -4.930 43 HZ2 LYS 4 HZ2 LYS 4 56.012 12.298 -4.063 44 HZ3 LYS 4 HZ3 LYS 4 55.959 12.485 -5.751 45 H ARG 5 HN ARG 5 57.388 6.762 -0.765 46 HA ARG 5 HA ARG 5 58.458 4.452 0.565 47 HB2 ARG 5 HB2 ARG 5 60.506 6.019 0.501 48 HB3 ARG 5 HB1 ARG 5 59.603 7.068 1.617 49 HG2 ARG 5 HG2 ARG 5 59.294 4.980 3.094 50 HG3 ARG 5 HG1 ARG 5 60.511 4.197 2.062 51 HD2 ARG 5 HD2 ARG 5 62.103 6.055 2.574 52 HD3 ARG 5 HD1 ARG 5 60.891 6.761 3.669 53 HE ARG 5 HE ARG 5 61.255 4.084 4.494 54 HH11 ARG 5 HH11 ARG 5 64.042 4.114 4.043 55 HH12 ARG 5 HH12 ARG 5 64.715 5.005 5.367 56 HH21 ARG 5 HH21 ARG 5 61.704 6.477 6.254 57 HH22 ARG 5 HH22 ARG 5 63.392 6.342 6.619 58 H LYS 6 HN LYS 6 57.596 7.865 1.253 59 HA LYS 6 HA LYS 6 55.253 6.890 2.874 60 HB2 LYS 6 HB2 LYS 6 57.068 9.210 3.654 61 HB3 LYS 6 HB1 LYS 6 55.693 8.566 4.575 62 HG2 LYS 6 HG2 LYS 6 58.147 6.896 3.875 63 HG3 LYS 6 HG1 LYS 6 58.013 7.837 5.374 64 HD2 LYS 6 HD2 LYS 6 55.812 6.587 5.814 65 HD3 LYS 6 HD1 LYS 6 56.269 5.507 4.475 66 HE2 LYS 6 HE2 LYS 6 58.390 4.965 5.632 67 HE3 LYS 6 HE1 LYS 6 57.934 6.043 6.973 68 HZ1 LYS 6 HZ1 LYS 6 57.204 3.361 6.562 69 HZ2 LYS 6 HZ2 LYS 6 55.794 4.304 6.473 70 HZ3 LYS 6 HZ3 LYS 6 56.785 4.381 7.851 71 H TRP 7 HN TRP 7 53.533 8.433 3.054 72 HA TRP 7 HA TRP 7 52.084 9.993 2.163 73 HB2 TRP 7 HB2 TRP 7 53.977 11.537 2.861 74 HB3 TRP 7 HB1 TRP 7 54.550 11.477 1.178 75 HD1 TRP 7 HD1 TRP 7 53.272 12.864 -0.597 76 HE1 TRP 7 HE1 TRP 7 51.301 14.558 -0.534 77 HE3 TRP 7 HE3 TRP 7 51.668 12.053 4.196 78 HZ2 TRP 7 HZ2 TRP 7 49.313 15.421 1.363 79 HZ3 TRP 7 HZ3 TRP 7 49.732 13.324 5.111 80 HH2 TRP 7 HH2 TRP 7 48.554 15.005 3.701 81 H LEU 8 HN LEU 8 53.903 7.979 0.338 82 HA LEU 8 HA LEU 8 53.852 8.846 -2.305 83 HB2 LEU 8 HB2 LEU 8 53.205 6.333 -2.798 84 HB3 LEU 8 HB1 LEU 8 54.760 6.705 -2.031 85 HG LEU 8 HG LEU 8 52.486 6.343 -0.094 86 HD11 LEU 8 HD11 LEU 8 52.626 3.837 -0.252 87 HD12 LEU 8 HD12 LEU 8 53.510 4.024 -1.785 88 HD13 LEU 8 HD13 LEU 8 51.829 4.598 -1.649 89 HD21 LEU 8 HD21 LEU 8 55.176 4.917 -0.177 90 HD22 LEU 8 HD22 LEU 8 54.159 5.291 1.236 91 HD23 LEU 8 HD23 LEU 8 55.023 6.596 0.389 92 H ARG 9 HN ARG 9 51.332 6.499 -1.461 93 HA ARG 9 HA ARG 9 49.136 8.353 -2.016 94 HB2 ARG 9 HB2 ARG 9 50.227 7.636 -4.311 95 HB3 ARG 9 HB1 ARG 9 49.433 6.077 -4.004 96 HG2 ARG 9 HG2 ARG 9 47.724 7.163 -5.178 97 HG3 ARG 9 HG1 ARG 9 47.297 7.642 -3.520 98 HD2 ARG 9 HD2 ARG 9 48.649 9.752 -3.855 99 HD3 ARG 9 HD1 ARG 9 48.874 9.277 -5.555 100 HE ARG 9 HE ARG 9 46.064 9.338 -4.695 101 HH11 ARG 9 HH11 ARG 9 48.580 11.560 -5.201 102 HH12 ARG 9 HH12 ARG 9 47.694 12.550 -6.312 103 HH21 ARG 9 HH21 ARG 9 44.976 10.403 -6.472 104 HH22 ARG 9 HH22 ARG 9 45.655 11.896 -7.032 105 H ARG 10 HN ARG 10 50.180 6.363 -0.025 106 HA ARG 10 HA ARG 10 48.723 3.966 -0.006 107 HB2 ARG 10 HB2 ARG 10 48.657 4.528 2.638 108 HB3 ARG 10 HB1 ARG 10 50.167 4.087 1.810 109 HG2 ARG 10 HG2 ARG 10 50.883 6.355 1.649 110 HG3 ARG 10 HG1 ARG 10 49.270 6.986 2.045 111 HD2 ARG 10 HD2 ARG 10 50.960 7.076 3.949 112 HD3 ARG 10 HD1 ARG 10 49.447 6.222 4.330 113 HE ARG 10 HE ARG 10 51.273 4.282 3.364 114 HH11 ARG 10 HH11 ARG 10 53.518 5.099 4.680 115 HH12 ARG 10 HH12 ARG 10 53.285 4.768 6.363 116 HH21 ARG 10 HH21 ARG 10 49.841 4.456 6.096 117 HH22 ARG 10 HH22 ARG 10 51.203 4.403 7.165 118 H ILE 11 HN ILE 11 47.616 6.394 2.327 119 HA ILE 11 HA ILE 11 44.820 5.660 1.694 120 HB ILE 11 HB ILE 11 44.298 7.245 3.604 121 HG12 ILE 11 HG12 ILE 11 47.306 7.232 4.129 122 HG13 ILE 11 HG11 ILE 11 46.549 8.537 3.195 123 HG21 ILE 11 HG21 ILE 11 45.093 5.692 5.322 124 HG22 ILE 11 HG22 ILE 11 46.356 5.078 4.230 125 HG23 ILE 11 HG23 ILE 11 44.642 4.771 3.872 126 HD11 ILE 11 HD1 ILE 11 46.642 9.267 5.491 127 HD12 ILE 11 HD2 ILE 11 45.942 7.741 6.073 128 HD13 ILE 11 HD3 ILE 11 44.943 8.881 5.138 129 H GLY 12 HN GLY 12 47.110 8.026 0.738 130 HA2 GLY 12 HA1 GLY 12 45.514 10.333 0.429 131 HA3 GLY 12 HA2 GLY 12 46.867 9.883 -0.637 132 H LYS 13 HN LYS 13 45.943 7.549 -1.784 133 HA LYS 13 HA LYS 13 44.411 8.388 -3.959 134 HB2 LYS 13 HB2 LYS 13 45.485 6.184 -3.870 135 HB3 LYS 13 HB1 LYS 13 44.369 5.669 -2.583 136 HG2 LYS 13 HG2 LYS 13 42.479 5.743 -4.065 137 HG3 LYS 13 HG1 LYS 13 43.407 6.600 -5.318 138 HD2 LYS 13 HD2 LYS 13 43.118 4.157 -5.818 139 HD3 LYS 13 HD1 LYS 13 44.825 4.635 -5.672 140 HE2 LYS 13 HE2 LYS 13 45.051 3.621 -3.538 141 HE3 LYS 13 HE1 LYS 13 43.290 3.565 -3.274 142 HZ1 LYS 13 HZ1 LYS 13 44.231 2.154 -5.628 143 HZ2 LYS 13 HZ2 LYS 13 43.095 1.686 -4.454 144 HZ3 LYS 13 HZ3 LYS 13 44.758 1.499 -4.154 145 H GLY 14 HN GLY 14 43.420 7.890 -0.698 146 HA2 GLY 14 HA1 GLY 14 40.538 7.690 -1.356 147 HA3 GLY 14 HA2 GLY 14 41.281 7.611 0.252 148 H VAL 15 HN VAL 15 42.805 9.959 0.321 149 HA VAL 15 HA VAL 15 40.594 12.022 0.219 150 HB VAL 15 HB VAL 15 41.927 13.229 1.956 151 HG11 VAL 15 HG11 VAL 15 40.042 11.645 2.497 152 HG12 VAL 15 HG12 VAL 15 41.253 11.776 3.794 153 HG13 VAL 15 HG13 VAL 15 41.249 10.356 2.722 154 HG21 VAL 15 HG21 VAL 15 43.610 10.692 1.787 155 HG22 VAL 15 HG22 VAL 15 43.654 11.795 3.182 156 HG23 VAL 15 HG23 VAL 15 44.155 12.373 1.578 157 H LYS 16 HN LYS 16 44.090 11.479 -0.359 158 HA LYS 16 HA LYS 16 44.666 14.107 -1.289 159 HB2 LYS 16 HB2 LYS 16 46.347 12.296 -0.769 160 HB3 LYS 16 HB1 LYS 16 45.904 11.518 -2.307 161 HG2 LYS 16 HG2 LYS 16 46.623 13.454 -3.578 162 HG3 LYS 16 HG1 LYS 16 46.859 14.406 -2.092 163 HD2 LYS 16 HD2 LYS 16 48.604 12.747 -1.366 164 HD3 LYS 16 HD1 LYS 16 48.429 11.934 -2.940 165 HE2 LYS 16 HE2 LYS 16 49.178 13.897 -4.129 166 HE3 LYS 16 HE1 LYS 16 49.107 14.890 -2.653 167 HZ1 LYS 16 HZ1 LYS 16 50.716 12.628 -2.175 168 HZ2 LYS 16 HZ2 LYS 16 51.158 14.268 -2.161 169 HZ3 LYS 16 HZ3 LYS 16 51.250 13.373 -3.602 170 H ILE 17 HN ILE 17 43.014 11.400 -2.779 171 HA ILE 17 HA ILE 17 43.274 12.239 -5.515 172 HB ILE 17 HB ILE 17 42.468 9.975 -4.763 173 HG12 ILE 17 HG12 ILE 17 40.310 11.298 -6.470 174 HG13 ILE 17 HG11 ILE 17 41.962 11.080 -7.083 175 HG21 ILE 17 HG21 ILE 17 40.224 9.680 -3.918 176 HG22 ILE 17 HG22 ILE 17 39.825 11.393 -4.190 177 HG23 ILE 17 HG23 ILE 17 40.996 10.939 -2.930 178 HD11 ILE 17 HD1 ILE 17 40.628 9.178 -7.790 179 HD12 ILE 17 HD2 ILE 17 40.058 8.897 -6.130 180 HD13 ILE 17 HD3 ILE 17 41.766 8.618 -6.544 181 H ILE 18 HN ILE 18 41.915 13.802 -2.923 182 HA ILE 18 HA ILE 18 40.526 15.638 -2.744 183 HB ILE 18 HB ILE 18 40.491 15.807 -5.786 184 HG12 ILE 18 HG12 ILE 18 42.820 15.579 -5.231 185 HG13 ILE 18 HG11 ILE 18 42.533 17.309 -5.494 186 HG21 ILE 18 HG21 ILE 18 40.011 17.758 -3.506 187 HG22 ILE 18 HG22 ILE 18 38.987 17.394 -4.907 188 HG23 ILE 18 HG23 ILE 18 40.479 18.332 -5.122 189 HD11 ILE 18 HD1 ILE 18 42.854 15.849 -2.840 190 HD12 ILE 18 HD2 ILE 18 42.238 17.513 -2.951 191 HD13 ILE 18 HD3 ILE 18 43.878 17.135 -3.513 192 H GLY 19 HN GLY 19 39.085 13.709 -2.130 193 HA2 GLY 19 HA1 GLY 19 36.672 13.685 -3.943 194 HA3 GLY 19 HA2 GLY 19 37.186 12.314 -2.938 195 H GLY 20 HN GLY 20 36.883 15.826 -2.328 196 HA2 GLY 20 HA1 GLY 20 35.651 16.961 -0.729 197 HA3 GLY 20 HA2 GLY 20 34.547 15.571 -0.681 198 H ALA 21 HN ALA 21 37.716 14.566 -0.158 199 HA ALA 21 HA ALA 21 38.718 13.677 1.736 200 HB1 ALA 21 HB1 ALA 21 39.297 15.974 2.176 201 HB2 ALA 21 HB2 ALA 21 38.797 15.235 3.717 202 HB3 ALA 21 HB3 ALA 21 37.680 16.309 2.840 203 H ALA 22 HN ALA 22 35.629 13.503 1.251 204 HA ALA 22 HA ALA 22 35.144 11.769 3.547 205 HB1 ALA 22 HB1 ALA 22 33.608 14.377 3.273 206 HB2 ALA 22 HB2 ALA 22 34.612 13.855 4.648 207 HB3 ALA 22 HB3 ALA 22 33.089 13.008 4.286 208 H LEU 23 HN LEU 23 34.928 12.571 0.408 209 HA LEU 23 HA LEU 23 32.413 10.947 -0.004 210 HB2 LEU 23 HB2 LEU 23 32.331 13.455 -0.656 211 HB3 LEU 23 HB1 LEU 23 33.482 13.031 -1.942 212 HG LEU 23 HG LEU 23 31.728 11.112 -2.509 213 HD11 LEU 23 HD11 LEU 23 29.371 11.924 -2.086 214 HD12 LEU 23 HD12 LEU 23 30.034 13.141 -0.974 215 HD13 LEU 23 HD13 LEU 23 30.219 11.410 -0.612 216 HD21 LEU 23 HD21 LEU 23 30.525 12.686 -4.021 217 HD22 LEU 23 HD22 LEU 23 32.281 12.980 -4.018 218 HD23 LEU 23 HD23 LEU 23 31.195 14.058 -3.108 219 H ASP 24 HN ASP 24 34.550 9.497 0.385 220 HA ASP 24 HA ASP 24 35.321 8.599 -2.375 221 HB2 ASP 24 HB2 ASP 24 37.156 10.007 -1.280 222 HB3 ASP 24 HB1 ASP 24 37.278 8.728 -0.049 223 H HIS 25 HN HIS 25 35.507 7.876 1.141 224 HA HIS 25 HA HIS 25 35.562 4.991 0.653 225 HB2 HIS 25 HB2 HIS 25 35.171 6.651 3.174 226 HB3 HIS 25 HB1 HIS 25 35.315 4.876 3.149 227 HD1 HIS 25 HD1 HIS 25 37.458 5.339 0.565 228 HD2 HIS 25 HD2 HIS 25 37.754 6.667 4.544 229 HE1 HIS 25 HE1 HIS 25 39.936 5.710 1.062 230 H LEU 26 HN LEU 26 33.768 4.209 -0.346 231 HA LEU 26 HA LEU 26 31.103 5.157 0.176 232 HB2 LEU 26 HB2 LEU 26 32.252 2.643 -1.082 233 HB3 LEU 26 HB1 LEU 26 30.498 2.843 -0.871 234 HG LEU 26 HG LEU 26 30.527 4.903 -2.193 235 HD11 LEU 26 HD11 LEU 26 32.627 5.908 -1.664 236 HD12 LEU 26 HD12 LEU 26 32.756 5.473 -3.384 237 HD13 LEU 26 HD13 LEU 26 33.538 4.458 -2.147 238 HD21 LEU 26 HD21 LEU 26 31.081 3.940 -4.363 239 HD22 LEU 26 HD22 LEU 26 30.411 2.653 -3.333 240 HD23 LEU 26 HD23 LEU 26 32.168 2.752 -3.604 Start of MODEL 99 1 H1 GLY 1 HT1 GLY 1 60.428 1.106 -1.757 2 H2 GLY 1 HT2 GLY 1 59.967 -0.441 -2.288 3 H3 GLY 1 HT3 GLY 1 59.044 0.370 -1.115 4 HA2 GLY 1 HA1 GLY 1 59.345 0.998 -3.968 5 HA3 GLY 1 HA2 GLY 1 57.869 0.549 -3.091 6 H ARG 2 HN ARG 2 60.088 2.623 -1.444 7 HA ARG 2 HA ARG 2 58.116 4.729 -1.260 8 HB2 ARG 2 HB2 ARG 2 61.077 4.635 -0.568 9 HB3 ARG 2 HB1 ARG 2 60.004 6.002 -0.182 10 HG2 ARG 2 HG2 ARG 2 58.573 4.564 1.175 11 HG3 ARG 2 HG1 ARG 2 59.504 3.125 0.695 12 HD2 ARG 2 HD2 ARG 2 60.753 5.504 2.128 13 HD3 ARG 2 HD1 ARG 2 60.092 4.092 2.985 14 HE ARG 2 HE ARG 2 61.974 3.305 0.915 15 HH11 ARG 2 HH11 ARG 2 62.292 1.610 3.039 16 HH12 ARG 2 HH12 ARG 2 63.514 2.287 4.063 17 HH21 ARG 2 HH21 ARG 2 63.274 5.464 2.694 18 HH22 ARG 2 HH22 ARG 2 64.070 4.469 3.868 19 H ARG 3 HN ARG 3 57.610 5.229 -3.452 20 HA ARG 3 HA ARG 3 59.522 6.047 -5.397 21 HB2 ARG 3 HB2 ARG 3 56.615 6.838 -4.982 22 HB3 ARG 3 HB1 ARG 3 57.565 7.278 -6.420 23 HG2 ARG 3 HG2 ARG 3 57.927 4.945 -6.981 24 HG3 ARG 3 HG1 ARG 3 57.189 4.414 -5.449 25 HD2 ARG 3 HD2 ARG 3 55.619 4.230 -7.397 26 HD3 ARG 3 HD1 ARG 3 55.021 5.328 -6.129 27 HE ARG 3 HE ARG 3 56.539 6.743 -8.170 28 HH11 ARG 3 HH11 ARG 3 54.631 8.485 -7.554 29 HH12 ARG 3 HH12 ARG 3 53.218 8.135 -8.493 30 HH21 ARG 3 HH21 ARG 3 54.231 4.919 -9.305 31 HH22 ARG 3 HH22 ARG 3 52.993 6.117 -9.485 32 H LYS 4 HN LYS 4 57.770 7.878 -2.882 33 HA LYS 4 HA LYS 4 59.814 10.045 -3.125 34 HB2 LYS 4 HB2 LYS 4 58.017 11.779 -3.099 35 HB3 LYS 4 HB1 LYS 4 58.033 10.819 -4.598 36 HG2 LYS 4 HG2 LYS 4 56.257 9.318 -3.466 37 HG3 LYS 4 HG1 LYS 4 56.108 10.604 -2.247 38 HD2 LYS 4 HD2 LYS 4 55.757 10.993 -5.254 39 HD3 LYS 4 HD1 LYS 4 54.427 10.828 -4.084 40 HE2 LYS 4 HE2 LYS 4 55.516 12.825 -2.836 41 HE3 LYS 4 HE1 LYS 4 56.463 13.071 -4.324 42 HZ1 LYS 4 HZ1 LYS 4 53.673 13.589 -3.806 43 HZ2 LYS 4 HZ2 LYS 4 53.945 12.743 -5.254 44 HZ3 LYS 4 HZ3 LYS 4 54.699 14.242 -4.987 45 H ARG 5 HN ARG 5 59.744 8.150 -1.164 46 HA ARG 5 HA ARG 5 59.766 7.993 1.139 47 HB2 ARG 5 HB2 ARG 5 60.474 10.536 0.718 48 HB3 ARG 5 HB1 ARG 5 58.899 10.881 1.457 49 HG2 ARG 5 HG2 ARG 5 61.068 9.133 2.720 50 HG3 ARG 5 HG1 ARG 5 60.782 10.841 3.117 51 HD2 ARG 5 HD2 ARG 5 58.372 10.181 3.672 52 HD3 ARG 5 HD1 ARG 5 58.909 8.487 3.565 53 HE ARG 5 HE ARG 5 59.375 10.225 5.796 54 HH11 ARG 5 HH11 ARG 5 59.877 7.138 4.888 55 HH12 ARG 5 HH12 ARG 5 61.447 6.947 5.596 56 HH21 ARG 5 HH21 ARG 5 61.863 10.330 6.233 57 HH22 ARG 5 HH22 ARG 5 62.571 8.754 6.357 58 H LYS 6 HN LYS 6 57.771 6.728 0.396 59 HA LYS 6 HA LYS 6 55.596 6.069 0.832 60 HB2 LYS 6 HB2 LYS 6 55.807 7.960 3.207 61 HB3 LYS 6 HB1 LYS 6 54.690 6.587 3.028 62 HG2 LYS 6 HG2 LYS 6 56.635 5.040 2.885 63 HG3 LYS 6 HG1 LYS 6 57.734 6.421 3.120 64 HD2 LYS 6 HD2 LYS 6 56.678 6.894 5.311 65 HD3 LYS 6 HD1 LYS 6 55.582 5.510 5.080 66 HE2 LYS 6 HE2 LYS 6 58.624 5.399 5.261 67 HE3 LYS 6 HE1 LYS 6 57.469 4.826 6.487 68 HZ1 LYS 6 HZ1 LYS 6 56.701 3.625 4.130 69 HZ2 LYS 6 HZ2 LYS 6 57.505 2.888 5.434 70 HZ3 LYS 6 HZ3 LYS 6 58.394 3.518 4.129 71 H TRP 7 HN TRP 7 53.434 7.465 2.031 72 HA TRP 7 HA TRP 7 51.689 8.830 1.356 73 HB2 TRP 7 HB2 TRP 7 54.030 10.661 0.707 74 HB3 TRP 7 HB1 TRP 7 52.327 11.170 0.658 75 HD1 TRP 7 HD1 TRP 7 55.126 10.228 3.054 76 HE1 TRP 7 HE1 TRP 7 54.431 10.794 5.495 77 HE3 TRP 7 HE3 TRP 7 50.211 11.413 2.240 78 HZ2 TRP 7 HZ2 TRP 7 52.051 11.647 6.875 79 HZ3 TRP 7 HZ3 TRP 7 48.748 12.101 4.133 80 HH2 TRP 7 HH2 TRP 7 49.663 12.219 6.447 81 H LEU 8 HN LEU 8 53.339 7.106 -0.698 82 HA LEU 8 HA LEU 8 53.229 8.276 -3.238 83 HB2 LEU 8 HB2 LEU 8 52.233 5.448 -3.175 84 HB3 LEU 8 HB1 LEU 8 53.599 6.160 -4.059 85 HG LEU 8 HG LEU 8 54.696 6.328 -1.622 86 HD11 LEU 8 HD11 LEU 8 52.503 5.505 -0.552 87 HD12 LEU 8 HD12 LEU 8 53.971 4.622 -0.077 88 HD13 LEU 8 HD13 LEU 8 52.856 3.918 -1.271 89 HD21 LEU 8 HD21 LEU 8 55.664 4.064 -1.951 90 HD22 LEU 8 HD22 LEU 8 55.576 4.961 -3.486 91 HD23 LEU 8 HD23 LEU 8 54.383 3.689 -3.128 92 H ARG 9 HN ARG 9 50.664 6.048 -2.061 93 HA ARG 9 HA ARG 9 48.532 7.918 -2.680 94 HB2 ARG 9 HB2 ARG 9 47.601 6.285 -4.545 95 HB3 ARG 9 HB1 ARG 9 48.797 7.526 -4.978 96 HG2 ARG 9 HG2 ARG 9 49.342 5.269 -5.924 97 HG3 ARG 9 HG1 ARG 9 50.614 5.902 -4.856 98 HD2 ARG 9 HD2 ARG 9 49.987 4.448 -3.068 99 HD3 ARG 9 HD1 ARG 9 48.425 4.052 -3.831 100 HE ARG 9 HE ARG 9 50.450 3.232 -5.630 101 HH11 ARG 9 HH11 ARG 9 52.155 2.215 -3.663 102 HH12 ARG 9 HH12 ARG 9 51.444 0.726 -3.135 103 HH21 ARG 9 HH21 ARG 9 48.310 1.459 -4.425 104 HH22 ARG 9 HH22 ARG 9 49.266 0.298 -3.567 105 H ARG 10 HN ARG 10 49.726 5.692 -0.818 106 HA ARG 10 HA ARG 10 48.067 3.487 -0.576 107 HB2 ARG 10 HB2 ARG 10 48.282 4.087 2.059 108 HB3 ARG 10 HB1 ARG 10 49.670 3.518 1.104 109 HG2 ARG 10 HG2 ARG 10 50.543 5.718 0.832 110 HG3 ARG 10 HG1 ARG 10 49.023 6.481 1.351 111 HD2 ARG 10 HD2 ARG 10 49.339 5.728 3.632 112 HD3 ARG 10 HD1 ARG 10 50.720 4.711 3.161 113 HE ARG 10 HE ARG 10 51.414 7.321 2.391 114 HH11 ARG 10 HH11 ARG 10 49.809 6.514 5.244 115 HH12 ARG 10 HH12 ARG 10 51.021 7.147 6.306 116 HH21 ARG 10 HH21 ARG 10 53.295 7.774 3.764 117 HH22 ARG 10 HH22 ARG 10 52.996 7.861 5.467 118 H ILE 11 HN ILE 11 47.357 6.023 1.796 119 HA ILE 11 HA ILE 11 44.460 5.511 1.404 120 HB ILE 11 HB ILE 11 45.434 5.674 3.708 121 HG12 ILE 11 HG12 ILE 11 43.561 8.018 3.136 122 HG13 ILE 11 HG11 ILE 11 43.025 6.325 3.106 123 HG21 ILE 11 HG21 ILE 11 45.821 8.633 3.087 124 HG22 ILE 11 HG22 ILE 11 47.141 7.442 3.019 125 HG23 ILE 11 HG23 ILE 11 46.304 7.753 4.557 126 HD11 ILE 11 HD1 ILE 11 42.532 7.141 5.304 127 HD12 ILE 11 HD2 ILE 11 44.134 7.895 5.464 128 HD13 ILE 11 HD3 ILE 11 43.979 6.122 5.482 129 H GLY 12 HN GLY 12 46.893 7.638 0.281 130 HA2 GLY 12 HA1 GLY 12 45.492 10.098 0.084 131 HA3 GLY 12 HA2 GLY 12 46.756 9.542 -1.037 132 H LYS 13 HN LYS 13 45.412 7.179 -1.894 133 HA LYS 13 HA LYS 13 44.022 8.057 -4.155 134 HB2 LYS 13 HB2 LYS 13 44.810 5.734 -3.741 135 HB3 LYS 13 HB1 LYS 13 43.504 5.526 -2.550 136 HG2 LYS 13 HG2 LYS 13 41.803 5.749 -4.225 137 HG3 LYS 13 HG1 LYS 13 42.970 6.335 -5.432 138 HD2 LYS 13 HD2 LYS 13 42.352 3.934 -5.788 139 HD3 LYS 13 HD1 LYS 13 44.089 4.153 -5.472 140 HE2 LYS 13 HE2 LYS 13 42.866 2.246 -4.197 141 HE3 LYS 13 HE1 LYS 13 43.909 3.331 -3.246 142 HZ1 LYS 13 HZ1 LYS 13 41.389 2.787 -2.606 143 HZ2 LYS 13 HZ2 LYS 13 41.131 4.159 -3.573 144 HZ3 LYS 13 HZ3 LYS 13 42.146 4.252 -2.213 145 H GLY 14 HN GLY 14 43.036 8.133 -0.870 146 HA2 GLY 14 HA1 GLY 14 40.137 8.390 -1.596 147 HA3 GLY 14 HA2 GLY 14 40.793 8.068 0.020 148 H VAL 15 HN VAL 15 42.764 10.034 0.260 149 HA VAL 15 HA VAL 15 41.004 12.472 0.385 150 HB VAL 15 HB VAL 15 42.749 13.325 1.994 151 HG11 VAL 15 HG11 VAL 15 41.457 10.642 2.658 152 HG12 VAL 15 HG12 VAL 15 40.669 12.235 2.769 153 HG13 VAL 15 HG13 VAL 15 42.031 11.837 3.846 154 HG21 VAL 15 HG21 VAL 15 43.798 10.476 1.685 155 HG22 VAL 15 HG22 VAL 15 44.297 11.607 2.963 156 HG23 VAL 15 HG23 VAL 15 44.661 11.974 1.261 157 H LYS 16 HN LYS 16 44.213 11.336 -0.723 158 HA LYS 16 HA LYS 16 45.027 13.965 -1.636 159 HB2 LYS 16 HB2 LYS 16 46.562 11.999 -1.122 160 HB3 LYS 16 HB1 LYS 16 46.043 11.293 -2.670 161 HG2 LYS 16 HG2 LYS 16 46.739 13.460 -3.796 162 HG3 LYS 16 HG1 LYS 16 47.445 13.969 -2.247 163 HD2 LYS 16 HD2 LYS 16 48.199 11.464 -3.824 164 HD3 LYS 16 HD1 LYS 16 49.159 12.958 -3.724 165 HE2 LYS 16 HE2 LYS 16 48.608 10.906 -1.560 166 HE3 LYS 16 HE1 LYS 16 50.166 11.568 -2.100 167 HZ1 LYS 16 HZ1 LYS 16 49.113 13.793 -1.279 168 HZ2 LYS 16 HZ2 LYS 16 49.828 12.721 -0.171 169 HZ3 LYS 16 HZ3 LYS 16 48.138 12.770 -0.338 170 H ILE 17 HN ILE 17 43.259 11.249 -3.075 171 HA ILE 17 HA ILE 17 43.440 11.854 -5.796 172 HB ILE 17 HB ILE 17 42.169 9.928 -4.936 173 HG12 ILE 17 HG12 ILE 17 40.323 11.787 -6.512 174 HG13 ILE 17 HG11 ILE 17 41.702 10.922 -7.227 175 HG21 ILE 17 HG21 ILE 17 41.153 11.289 -3.011 176 HG22 ILE 17 HG22 ILE 17 40.062 10.143 -3.821 177 HG23 ILE 17 HG23 ILE 17 39.958 11.880 -4.188 178 HD11 ILE 17 HD1 ILE 17 39.191 9.742 -5.979 179 HD12 ILE 17 HD2 ILE 17 40.646 8.767 -6.294 180 HD13 ILE 17 HD3 ILE 17 39.789 9.547 -7.643 181 H ILE 18 HN ILE 18 41.858 13.655 -3.252 182 HA ILE 18 HA ILE 18 41.121 15.770 -5.259 183 HB ILE 18 HB ILE 18 39.347 14.701 -3.009 184 HG12 ILE 18 HG12 ILE 18 38.459 15.191 -5.876 185 HG13 ILE 18 HG11 ILE 18 39.429 13.748 -5.528 186 HG21 ILE 18 HG21 ILE 18 39.146 17.071 -2.827 187 HG22 ILE 18 HG22 ILE 18 37.783 16.603 -3.864 188 HG23 ILE 18 HG23 ILE 18 39.249 17.304 -4.586 189 HD11 ILE 18 HD1 ILE 18 37.015 13.243 -5.383 190 HD12 ILE 18 HD2 ILE 18 36.818 14.492 -4.133 191 HD13 ILE 18 HD3 ILE 18 37.802 13.047 -3.800 192 H GLY 19 HN GLY 19 40.558 15.476 -1.744 193 HA2 GLY 19 HA1 GLY 19 42.774 16.653 -0.644 194 HA3 GLY 19 HA2 GLY 19 41.904 18.048 -1.312 195 H GLY 20 HN GLY 20 40.851 15.025 0.318 196 HA2 GLY 20 HA1 GLY 20 39.333 14.749 2.049 197 HA3 GLY 20 HA2 GLY 20 40.235 16.066 2.824 198 H ALA 21 HN ALA 21 38.672 17.256 3.761 199 HA ALA 21 HA ALA 21 36.765 18.573 3.941 200 HB1 ALA 21 HB1 ALA 21 38.152 19.991 2.473 201 HB2 ALA 21 HB2 ALA 21 36.418 20.172 2.113 202 HB3 ALA 21 HB3 ALA 21 37.452 19.192 1.046 203 H ALA 22 HN ALA 22 36.666 15.754 2.587 204 HA ALA 22 HA ALA 22 33.795 15.699 2.325 205 HB1 ALA 22 HB1 ALA 22 33.797 14.995 -0.120 206 HB2 ALA 22 HB2 ALA 22 35.446 15.661 -0.218 207 HB3 ALA 22 HB3 ALA 22 34.078 16.725 0.187 208 H LEU 23 HN LEU 23 36.534 14.036 0.682 209 HA LEU 23 HA LEU 23 35.454 11.420 1.466 210 HB2 LEU 23 HB2 LEU 23 37.922 12.360 -0.029 211 HB3 LEU 23 HB1 LEU 23 37.701 10.654 0.407 212 HG LEU 23 HG LEU 23 36.928 11.339 -1.939 213 HD11 LEU 23 HD11 LEU 23 35.135 9.799 -1.959 214 HD12 LEU 23 HD12 LEU 23 34.608 10.223 -0.319 215 HD13 LEU 23 HD13 LEU 23 36.100 9.289 -0.558 216 HD21 LEU 23 HD21 LEU 23 34.858 12.543 -2.199 217 HD22 LEU 23 HD22 LEU 23 35.895 13.516 -1.132 218 HD23 LEU 23 HD23 LEU 23 34.564 12.558 -0.445 219 H ASP 24 HN ASP 24 35.622 12.476 3.817 220 HA ASP 24 HA ASP 24 37.722 10.948 5.133 221 HB2 ASP 24 HB2 ASP 24 39.002 12.975 4.419 222 HB3 ASP 24 HB1 ASP 24 37.868 13.981 5.353 223 H HIS 25 HN HIS 25 34.809 12.656 4.983 224 HA HIS 25 HA HIS 25 34.386 13.157 7.799 225 HB2 HIS 25 HB2 HIS 25 32.443 12.745 5.493 226 HB3 HIS 25 HB1 HIS 25 31.970 13.273 7.127 227 HD1 HIS 25 HD1 HIS 25 35.273 14.584 6.263 228 HD2 HIS 25 HD2 HIS 25 31.297 15.746 5.526 229 HE1 HIS 25 HE1 HIS 25 35.311 17.050 5.596 230 H LEU 26 HN LEU 26 32.698 12.062 9.111 231 HA LEU 26 HA LEU 26 32.148 9.241 8.470 232 HB2 LEU 26 HB2 LEU 26 33.214 8.400 10.572 233 HB3 LEU 26 HB1 LEU 26 34.381 8.939 9.347 234 HG LEU 26 HG LEU 26 33.464 10.977 11.404 235 HD11 LEU 26 HD11 LEU 26 33.927 8.970 12.771 236 HD12 LEU 26 HD12 LEU 26 35.184 10.209 13.008 237 HD13 LEU 26 HD13 LEU 26 35.511 8.792 11.981 238 HD21 LEU 26 HD21 LEU 26 35.877 11.653 11.217 239 HD22 LEU 26 HD22 LEU 26 35.034 11.691 9.654 240 HD23 LEU 26 HD23 LEU 26 36.128 10.343 10.043 Start of MODEL 100 1 H1 GLY 1 HT1 GLY 1 58.693 -1.471 -3.408 2 H2 GLY 1 HT2 GLY 1 57.492 -0.289 -3.632 3 H3 GLY 1 HT3 GLY 1 57.089 -1.940 -3.686 4 HA2 GLY 1 HA1 GLY 1 56.475 -1.668 -1.611 5 HA3 GLY 1 HA2 GLY 1 58.218 -1.797 -1.302 6 H ARG 2 HN ARG 2 59.210 -0.179 -0.291 7 HA ARG 2 HA ARG 2 57.726 2.024 0.752 8 HB2 ARG 2 HB2 ARG 2 60.739 1.876 0.356 9 HB3 ARG 2 HB1 ARG 2 59.855 2.856 1.550 10 HG2 ARG 2 HG2 ARG 2 58.995 0.793 2.615 11 HG3 ARG 2 HG1 ARG 2 59.872 -0.192 1.419 12 HD2 ARG 2 HD2 ARG 2 61.118 1.733 3.431 13 HD3 ARG 2 HD1 ARG 2 61.179 -0.044 3.496 14 HE ARG 2 HE ARG 2 62.233 0.837 0.979 15 HH11 ARG 2 HH11 ARG 2 64.427 0.135 0.826 16 HH12 ARG 2 HH12 ARG 2 65.473 0.438 2.173 17 HH21 ARG 2 HH21 ARG 2 62.921 1.527 4.252 18 HH22 ARG 2 HH22 ARG 2 64.621 1.226 4.112 19 H ARG 3 HN ARG 3 60.564 2.349 -1.409 20 HA ARG 3 HA ARG 3 60.998 3.855 -3.105 21 HB2 ARG 3 HB2 ARG 3 58.948 2.663 -4.061 22 HB3 ARG 3 HB1 ARG 3 57.991 4.055 -3.510 23 HG2 ARG 3 HG2 ARG 3 59.583 5.550 -4.807 24 HG3 ARG 3 HG1 ARG 3 60.308 4.076 -5.490 25 HD2 ARG 3 HD2 ARG 3 57.844 3.451 -6.153 26 HD3 ARG 3 HD1 ARG 3 57.512 5.181 -5.894 27 HE ARG 3 HE ARG 3 58.745 4.118 -8.214 28 HH11 ARG 3 HH11 ARG 3 58.751 6.775 -6.055 29 HH12 ARG 3 HH12 ARG 3 59.853 7.722 -6.997 30 HH21 ARG 3 HH21 ARG 3 60.403 5.230 -9.345 31 HH22 ARG 3 HH22 ARG 3 60.788 6.847 -8.860 32 H LYS 4 HN LYS 4 57.814 5.197 -2.135 33 HA LYS 4 HA LYS 4 59.213 7.789 -1.517 34 HB2 LYS 4 HB2 LYS 4 56.247 7.293 -1.983 35 HB3 LYS 4 HB1 LYS 4 57.099 8.857 -1.939 36 HG2 LYS 4 HG2 LYS 4 58.484 8.062 -3.909 37 HG3 LYS 4 HG1 LYS 4 57.410 6.645 -4.011 38 HD2 LYS 4 HD2 LYS 4 55.473 8.066 -4.399 39 HD3 LYS 4 HD1 LYS 4 56.439 9.534 -4.113 40 HE2 LYS 4 HE2 LYS 4 57.065 7.528 -6.317 41 HE3 LYS 4 HE1 LYS 4 56.052 8.970 -6.565 42 HZ1 LYS 4 HZ1 LYS 4 58.649 9.344 -5.267 43 HZ2 LYS 4 HZ2 LYS 4 57.814 10.358 -6.343 44 HZ3 LYS 4 HZ3 LYS 4 58.657 9.004 -6.928 45 H ARG 5 HN ARG 5 59.301 5.622 0.365 46 HA ARG 5 HA ARG 5 58.859 5.196 2.603 47 HB2 ARG 5 HB2 ARG 5 58.308 8.186 2.517 48 HB3 ARG 5 HB1 ARG 5 58.400 7.237 4.019 49 HG2 ARG 5 HG2 ARG 5 60.703 6.487 3.351 50 HG3 ARG 5 HG1 ARG 5 60.605 7.568 1.939 51 HD2 ARG 5 HD2 ARG 5 60.320 8.459 4.842 52 HD3 ARG 5 HD1 ARG 5 61.799 8.628 3.865 53 HE ARG 5 HE ARG 5 59.421 10.307 3.676 54 HH11 ARG 5 HH11 ARG 5 59.477 9.460 0.920 55 HH12 ARG 5 HH12 ARG 5 60.682 10.467 0.189 56 HH21 ARG 5 HH21 ARG 5 62.117 11.394 3.206 57 HH22 ARG 5 HH22 ARG 5 62.179 11.561 1.484 58 H LYS 6 HN LYS 6 56.483 7.820 2.453 59 HA LYS 6 HA LYS 6 54.230 5.860 2.377 60 HB2 LYS 6 HB2 LYS 6 54.524 7.904 4.615 61 HB3 LYS 6 HB1 LYS 6 53.239 6.689 4.420 62 HG2 LYS 6 HG2 LYS 6 55.043 4.901 4.539 63 HG3 LYS 6 HG1 LYS 6 56.187 6.187 4.995 64 HD2 LYS 6 HD2 LYS 6 54.792 6.764 6.944 65 HD3 LYS 6 HD1 LYS 6 53.610 5.516 6.482 66 HE2 LYS 6 HE2 LYS 6 56.543 4.924 7.051 67 HE3 LYS 6 HE1 LYS 6 55.259 4.799 8.277 68 HZ1 LYS 6 HZ1 LYS 6 55.154 3.385 5.665 69 HZ2 LYS 6 HZ2 LYS 6 54.171 3.132 7.028 70 HZ3 LYS 6 HZ3 LYS 6 55.811 2.690 7.066 71 H TRP 7 HN TRP 7 54.679 7.295 0.268 72 HA TRP 7 HA TRP 7 52.524 9.350 0.333 73 HB2 TRP 7 HB2 TRP 7 55.347 9.900 -0.678 74 HB3 TRP 7 HB1 TRP 7 53.940 10.963 -0.926 75 HD1 TRP 7 HD1 TRP 7 56.418 9.808 1.712 76 HE1 TRP 7 HE1 TRP 7 56.166 11.250 3.861 77 HE3 TRP 7 HE3 TRP 7 52.164 12.370 0.470 78 HZ2 TRP 7 HZ2 TRP 7 54.346 13.240 4.874 79 HZ3 TRP 7 HZ3 TRP 7 51.186 14.034 2.043 80 HH2 TRP 7 HH2 TRP 7 52.273 14.471 4.242 81 H LEU 8 HN LEU 8 53.298 6.574 -0.736 82 HA LEU 8 HA LEU 8 53.306 6.975 -3.653 83 HB2 LEU 8 HB2 LEU 8 52.708 4.269 -3.240 84 HB3 LEU 8 HB1 LEU 8 54.340 4.943 -3.400 85 HG LEU 8 HG LEU 8 54.433 5.234 -0.909 86 HD11 LEU 8 HD11 LEU 8 51.850 5.287 -0.684 87 HD12 LEU 8 HD12 LEU 8 52.734 4.325 0.520 88 HD13 LEU 8 HD13 LEU 8 51.912 3.518 -0.838 89 HD21 LEU 8 HD21 LEU 8 54.580 2.772 -0.419 90 HD22 LEU 8 HD22 LEU 8 55.407 3.251 -1.922 91 HD23 LEU 8 HD23 LEU 8 53.816 2.456 -1.995 92 H ARG 9 HN ARG 9 51.111 8.055 -1.910 93 HA ARG 9 HA ARG 9 48.842 8.406 -2.208 94 HB2 ARG 9 HB2 ARG 9 49.716 7.646 -4.740 95 HB3 ARG 9 HB1 ARG 9 48.439 6.453 -4.436 96 HG2 ARG 9 HG2 ARG 9 47.230 8.223 -5.415 97 HG3 ARG 9 HG1 ARG 9 47.017 8.561 -3.682 98 HD2 ARG 9 HD2 ARG 9 47.627 10.648 -4.702 99 HD3 ARG 9 HD1 ARG 9 49.083 10.072 -3.858 100 HE ARG 9 HE ARG 9 49.139 9.109 -6.553 101 HH11 ARG 9 HH11 ARG 9 48.263 12.195 -6.137 102 HH12 ARG 9 HH12 ARG 9 49.751 12.931 -6.630 103 HH21 ARG 9 HH21 ARG 9 51.545 9.965 -6.575 104 HH22 ARG 9 HH22 ARG 9 51.609 11.669 -6.878 105 H ARG 10 HN ARG 10 49.918 6.365 -0.454 106 HA ARG 10 HA ARG 10 48.492 3.925 -0.520 107 HB2 ARG 10 HB2 ARG 10 48.565 4.325 2.146 108 HB3 ARG 10 HB1 ARG 10 50.044 3.976 1.222 109 HG2 ARG 10 HG2 ARG 10 50.718 6.254 1.188 110 HG3 ARG 10 HG1 ARG 10 49.104 6.838 1.649 111 HD2 ARG 10 HD2 ARG 10 49.376 5.720 3.877 112 HD3 ARG 10 HD1 ARG 10 51.026 5.248 3.406 113 HE ARG 10 HE ARG 10 51.708 7.478 3.804 114 HH11 ARG 10 HH11 ARG 10 49.740 8.809 1.991 115 HH12 ARG 10 HH12 ARG 10 48.806 9.759 3.097 116 HH21 ARG 10 HH21 ARG 10 49.878 8.025 5.903 117 HH22 ARG 10 HH22 ARG 10 48.883 9.315 5.313 118 H ILE 11 HN ILE 11 47.515 6.143 2.048 119 HA ILE 11 HA ILE 11 44.687 5.523 1.502 120 HB ILE 11 HB ILE 11 44.300 7.119 3.455 121 HG12 ILE 11 HG12 ILE 11 47.314 6.951 3.901 122 HG13 ILE 11 HG11 ILE 11 46.623 8.282 2.949 123 HG21 ILE 11 HG21 ILE 11 46.267 4.835 3.948 124 HG22 ILE 11 HG22 ILE 11 44.518 4.636 3.686 125 HG23 ILE 11 HG23 ILE 11 45.108 5.504 5.121 126 HD11 ILE 11 HD1 ILE 11 45.947 7.571 5.837 127 HD12 ILE 11 HD2 ILE 11 45.095 8.808 4.881 128 HD13 ILE 11 HD3 ILE 11 46.821 9.008 5.260 129 H GLY 12 HN GLY 12 47.000 7.744 0.423 130 HA2 GLY 12 HA1 GLY 12 45.635 10.182 0.220 131 HA3 GLY 12 HA2 GLY 12 46.811 9.582 -0.970 132 H LYS 13 HN LYS 13 45.662 7.517 -2.196 133 HA LYS 13 HA LYS 13 43.920 8.596 -4.090 134 HB2 LYS 13 HB2 LYS 13 44.086 5.767 -2.984 135 HB3 LYS 13 HB1 LYS 13 43.053 6.187 -4.370 136 HG2 LYS 13 HG2 LYS 13 45.116 7.152 -5.498 137 HG3 LYS 13 HG1 LYS 13 46.079 6.459 -4.173 138 HD2 LYS 13 HD2 LYS 13 44.256 4.902 -6.056 139 HD3 LYS 13 HD1 LYS 13 46.032 4.930 -6.113 140 HE2 LYS 13 HE2 LYS 13 45.876 4.137 -3.601 141 HE3 LYS 13 HE1 LYS 13 44.215 3.666 -4.042 142 HZ1 LYS 13 HZ1 LYS 13 45.091 2.331 -5.835 143 HZ2 LYS 13 HZ2 LYS 13 45.820 1.867 -4.372 144 HZ3 LYS 13 HZ3 LYS 13 46.678 2.820 -5.487 145 H GLY 14 HN GLY 14 43.267 7.882 -0.790 146 HA2 GLY 14 HA1 GLY 14 40.319 7.820 -1.179 147 HA3 GLY 14 HA2 GLY 14 41.207 7.513 0.323 148 H VAL 15 HN VAL 15 42.905 9.941 0.113 149 HA VAL 15 HA VAL 15 40.757 12.026 0.577 150 HB VAL 15 HB VAL 15 42.092 12.898 2.454 151 HG11 VAL 15 HG11 VAL 15 40.309 11.262 2.913 152 HG12 VAL 15 HG12 VAL 15 41.669 11.014 4.034 153 HG13 VAL 15 HG13 VAL 15 41.448 9.921 2.646 154 HG21 VAL 15 HG21 VAL 15 44.334 12.242 1.882 155 HG22 VAL 15 HG22 VAL 15 43.877 10.526 1.768 156 HG23 VAL 15 HG23 VAL 15 43.925 11.332 3.353 157 H LYS 16 HN LYS 16 44.234 11.450 -0.184 158 HA LYS 16 HA LYS 16 44.911 14.144 -0.688 159 HB2 LYS 16 HB2 LYS 16 45.889 11.548 -1.917 160 HB3 LYS 16 HB1 LYS 16 46.581 13.116 -2.382 161 HG2 LYS 16 HG2 LYS 16 46.347 12.418 0.566 162 HG3 LYS 16 HG1 LYS 16 47.666 11.708 -0.386 163 HD2 LYS 16 HD2 LYS 16 47.177 14.703 -0.553 164 HD3 LYS 16 HD1 LYS 16 48.021 14.036 0.860 165 HE2 LYS 16 HE2 LYS 16 49.668 12.940 -0.663 166 HE3 LYS 16 HE1 LYS 16 48.842 13.671 -2.059 167 HZ1 LYS 16 HZ1 LYS 16 50.004 15.204 0.212 168 HZ2 LYS 16 HZ2 LYS 16 49.329 15.848 -1.206 169 HZ3 LYS 16 HZ3 LYS 16 50.776 14.961 -1.278 170 H ILE 17 HN ILE 17 43.751 11.700 -3.069 171 HA ILE 17 HA ILE 17 43.554 13.620 -5.205 172 HB ILE 17 HB ILE 17 43.642 11.147 -5.554 173 HG12 ILE 17 HG12 ILE 17 40.993 12.129 -6.705 174 HG13 ILE 17 HG11 ILE 17 42.519 12.895 -7.195 175 HG21 ILE 17 HG21 ILE 17 42.130 10.612 -3.610 176 HG22 ILE 17 HG22 ILE 17 41.699 9.758 -5.109 177 HG23 ILE 17 HG23 ILE 17 40.747 11.165 -4.582 178 HD11 ILE 17 HD1 ILE 17 41.813 9.938 -7.450 179 HD12 ILE 17 HD2 ILE 17 43.401 10.639 -7.844 180 HD13 ILE 17 HD3 ILE 17 41.961 11.115 -8.773 181 H ILE 18 HN ILE 18 41.961 13.566 -2.344 182 HA ILE 18 HA ILE 18 40.052 14.614 -1.575 183 HB ILE 18 HB ILE 18 39.712 15.843 -4.343 184 HG12 ILE 18 HG12 ILE 18 41.549 16.681 -2.050 185 HG13 ILE 18 HG11 ILE 18 42.054 16.155 -3.672 186 HG21 ILE 18 HG21 ILE 18 37.939 16.082 -2.488 187 HG22 ILE 18 HG22 ILE 18 38.576 17.595 -3.172 188 HG23 ILE 18 HG23 ILE 18 39.156 17.020 -1.590 189 HD11 ILE 18 HD1 ILE 18 40.593 18.127 -4.550 190 HD12 ILE 18 HD2 ILE 18 42.150 18.523 -3.784 191 HD13 ILE 18 HD3 ILE 18 40.636 18.716 -2.871 192 H GLY 19 HN GLY 19 38.669 12.976 -1.190 193 HA2 GLY 19 HA1 GLY 19 36.439 12.661 -3.062 194 HA3 GLY 19 HA2 GLY 19 37.460 11.215 -2.930 195 H GLY 20 HN GLY 20 37.879 10.396 -0.697 196 HA2 GLY 20 HA1 GLY 20 35.366 10.007 0.639 197 HA3 GLY 20 HA2 GLY 20 36.961 9.496 1.228 198 H ALA 21 HN ALA 21 38.019 12.272 1.082 199 HA ALA 21 HA ALA 21 37.461 13.038 3.776 200 HB1 ALA 21 HB1 ALA 21 38.766 15.001 3.303 201 HB2 ALA 21 HB2 ALA 21 38.480 14.836 1.553 202 HB3 ALA 21 HB3 ALA 21 39.491 13.646 2.409 203 H ALA 22 HN ALA 22 36.517 14.686 0.718 204 HA ALA 22 HA ALA 22 34.655 16.434 2.098 205 HB1 ALA 22 HB1 ALA 22 34.061 17.210 -0.097 206 HB2 ALA 22 HB2 ALA 22 34.726 15.743 -0.856 207 HB3 ALA 22 HB3 ALA 22 35.817 16.922 -0.090 208 H LEU 23 HN LEU 23 34.396 13.388 0.273 209 HA LEU 23 HA LEU 23 31.476 13.366 0.381 210 HB2 LEU 23 HB2 LEU 23 32.956 12.199 -1.352 211 HB3 LEU 23 HB1 LEU 23 33.338 11.011 -0.089 212 HG LEU 23 HG LEU 23 30.694 10.840 0.174 213 HD11 LEU 23 HD11 LEU 23 30.061 12.663 -1.327 214 HD12 LEU 23 HD12 LEU 23 29.564 11.125 -2.064 215 HD13 LEU 23 HD13 LEU 23 31.020 11.960 -2.651 216 HD21 LEU 23 HD21 LEU 23 32.127 8.990 -0.583 217 HD22 LEU 23 HD22 LEU 23 32.197 9.687 -2.220 218 HD23 LEU 23 HD23 LEU 23 30.656 9.068 -1.582 219 H ASP 24 HN ASP 24 31.600 13.893 2.805 220 HA ASP 24 HA ASP 24 30.881 11.463 4.225 221 HB2 ASP 24 HB2 ASP 24 33.372 11.318 4.342 222 HB3 ASP 24 HB1 ASP 24 33.397 12.903 5.153 223 H HIS 25 HN HIS 25 31.589 14.901 4.110 224 HA HIS 25 HA HIS 25 30.474 15.572 6.685 225 HB2 HIS 25 HB2 HIS 25 30.801 17.199 4.134 226 HB3 HIS 25 HB1 HIS 25 30.310 17.877 5.705 227 HD1 HIS 25 HD1 HIS 25 33.184 15.822 4.189 228 HD2 HIS 25 HD2 HIS 25 32.442 18.440 7.393 229 HE1 HIS 25 HE1 HIS 25 35.429 16.315 5.303 230 H LEU 26 HN LEU 26 29.125 15.888 3.362 231 HA LEU 26 HA LEU 26 26.917 15.988 2.652 232 HB2 LEU 26 HB2 LEU 26 26.229 14.337 5.109 233 HB3 LEU 26 HB1 LEU 26 25.429 14.339 3.521 234 HG LEU 26 HG LEU 26 28.284 13.397 4.058 235 HD11 LEU 26 HD11 LEU 26 26.497 11.922 4.999 236 HD12 LEU 26 HD12 LEU 26 27.389 11.151 3.665 237 HD13 LEU 26 HD13 LEU 26 25.764 11.819 3.380 238 HD21 LEU 26 HD21 LEU 26 26.548 13.557 1.558 239 HD22 LEU 26 HD22 LEU 26 27.936 12.448 1.674 240 HD23 LEU 26 HD23 LEU 26 28.188 14.202 1.802
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