NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26323 | 2ki9 | 16268 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 HT1 ASP 1 11.427 -3.029 -0.651 2 H2 ASP 1 HT2 ASP 1 12.320 -1.757 -1.333 3 H3 ASP 1 HT3 ASP 1 10.658 -1.560 -1.023 4 HA ASP 1 HA ASP 1 12.773 -1.935 1.030 5 HB2 ASP 1 HB2 ASP 1 11.026 0.491 0.579 6 HB3 ASP 1 HB1 ASP 1 12.471 0.368 1.571 7 H VAL 2 HN VAL 2 11.273 -0.435 2.880 8 HA VAL 2 HA VAL 2 8.828 -2.112 3.276 9 HB VAL 2 HB VAL 2 9.048 -0.990 5.676 10 HG11 VAL 2 HG11 VAL 2 10.407 -2.941 6.403 11 HG12 VAL 2 HG12 VAL 2 10.811 -3.265 4.717 12 HG13 VAL 2 HG13 VAL 2 9.140 -3.403 5.266 13 HG21 VAL 2 HG21 VAL 2 11.930 -1.049 4.728 14 HG22 VAL 2 HG22 VAL 2 11.369 -0.652 6.352 15 HG23 VAL 2 HG23 VAL 2 10.996 0.421 5.004 16 H ARG 3 HN ARG 3 10.248 1.017 2.905 17 HA ARG 3 HA ARG 3 7.752 2.539 3.227 18 HB2 ARG 3 HB2 ARG 3 9.486 4.060 1.651 19 HB3 ARG 3 HB1 ARG 3 9.345 4.170 3.398 20 HG2 ARG 3 HG2 ARG 3 11.143 2.594 3.719 21 HG3 ARG 3 HG1 ARG 3 11.194 2.231 1.992 22 HD2 ARG 3 HD2 ARG 3 12.676 3.890 1.712 23 HD3 ARG 3 HD1 ARG 3 11.461 5.049 2.236 24 HE ARG 3 HE ARG 3 13.642 3.952 3.883 25 HH11 ARG 3 HH21 ARG 3 10.659 5.697 3.674 26 HH12 ARG 3 HH22 ARG 3 10.813 6.408 5.246 27 HH21 ARG 3 HH11 ARG 3 13.851 4.880 5.943 28 HH22 ARG 3 HH12 ARG 3 12.616 5.945 6.527 29 H LEU 4 HN LEU 4 9.945 2.099 0.466 30 HA LEU 4 HA LEU 4 7.604 1.399 -1.235 31 HB2 LEU 4 HB2 LEU 4 9.871 3.172 -2.188 32 HB3 LEU 4 HB1 LEU 4 8.345 2.835 -3.003 33 HG LEU 4 HG LEU 4 7.476 3.861 -0.603 34 HD11 LEU 4 HD11 LEU 4 8.836 5.587 0.149 35 HD12 LEU 4 HD12 LEU 4 9.668 5.740 -1.398 36 HD13 LEU 4 HD13 LEU 4 10.049 4.397 -0.323 37 HD21 LEU 4 HD21 LEU 4 8.140 5.370 -3.151 38 HD22 LEU 4 HD22 LEU 4 7.029 5.930 -1.901 39 HD23 LEU 4 HD23 LEU 4 6.649 4.483 -2.835 40 H ALA 5 HN ALA 5 10.181 1.757 -3.200 41 HA ALA 5 HA ALA 5 11.587 -0.744 -2.543 42 HB1 ALA 5 HB1 ALA 5 11.130 -1.803 -4.686 43 HB2 ALA 5 HB2 ALA 5 10.193 -0.407 -5.214 44 HB3 ALA 5 HB3 ALA 5 9.589 -1.432 -3.914 45 H LYS 6 HN LYS 6 12.430 1.954 -2.553 46 HA LYS 6 HA LYS 6 14.551 1.798 -4.597 47 HB2 LYS 6 HB2 LYS 6 12.345 3.814 -4.597 48 HB3 LYS 6 HB1 LYS 6 13.966 4.386 -4.982 49 HG2 LYS 6 HG2 LYS 6 12.649 2.023 -6.355 50 HG3 LYS 6 HG1 LYS 6 12.625 3.663 -6.995 51 HD2 LYS 6 HD2 LYS 6 14.720 3.484 -7.788 52 HD3 LYS 6 HD1 LYS 6 15.329 2.892 -6.240 53 HE2 LYS 6 HE2 LYS 6 15.676 1.135 -7.924 54 HE3 LYS 6 HE1 LYS 6 14.404 0.605 -6.819 55 HZ1 LYS 6 HZ1 LYS 6 13.640 2.105 -9.219 56 HZ2 LYS 6 HZ2 LYS 6 12.787 0.904 -8.369 57 HZ3 LYS 6 HZ3 LYS 6 14.078 0.477 -9.383 58 H THR 7 HN THR 7 13.122 3.902 -2.045 59 HA THR 7 HA THR 7 15.491 5.338 -1.518 60 HB THR 7 HB THR 7 14.122 5.004 0.953 61 HG1 THR 7 HG1 THR 7 11.975 5.576 0.008 62 HG21 THR 7 HG21 THR 7 13.796 7.125 -1.187 63 HG22 THR 7 HG22 THR 7 15.088 7.085 0.013 64 HG23 THR 7 HG23 THR 7 13.417 7.302 0.528 65 H LEU 8 HN LEU 8 14.259 2.424 0.169 66 HA LEU 8 HA LEU 8 16.786 2.098 1.605 67 HB2 LEU 8 HB2 LEU 8 14.542 0.097 1.201 68 HB3 LEU 8 HB1 LEU 8 15.835 -0.011 2.392 69 HG LEU 8 HG LEU 8 13.689 2.127 2.264 70 HD11 LEU 8 HD11 LEU 8 14.115 0.453 4.671 71 HD12 LEU 8 HD12 LEU 8 13.445 -0.375 3.265 72 HD13 LEU 8 HD13 LEU 8 12.616 1.026 3.941 73 HD21 LEU 8 HD21 LEU 8 15.530 3.291 3.114 74 HD22 LEU 8 HD22 LEU 8 16.217 1.853 3.871 75 HD23 LEU 8 HD23 LEU 8 14.813 2.641 4.589 76 H GLY 9 HN GLY 9 15.263 0.750 -1.291 77 HA2 GLY 9 HA2 GLY 9 17.145 -1.277 -1.909 78 HA3 GLY 9 HA1 GLY 9 16.279 -0.330 -3.123 79 H LEU 10 HN LEU 10 17.209 2.211 -2.705 80 HA LEU 10 HA LEU 10 19.823 2.232 -3.890 81 HB2 LEU 10 HB2 LEU 10 17.955 4.239 -2.743 82 HB3 LEU 10 HB1 LEU 10 19.658 4.694 -2.735 83 HG LEU 10 HG LEU 10 18.385 3.562 -5.222 84 HD11 LEU 10 HD11 LEU 10 17.857 5.821 -5.956 85 HD12 LEU 10 HD12 LEU 10 18.515 6.499 -4.468 86 HD13 LEU 10 HD13 LEU 10 17.042 5.530 -4.418 87 HD21 LEU 10 HD21 LEU 10 20.592 5.607 -4.929 88 HD22 LEU 10 HD22 LEU 10 20.234 4.581 -6.316 89 HD23 LEU 10 HD23 LEU 10 20.922 3.876 -4.854 90 H VAL 11 HN VAL 11 18.799 3.108 -0.565 91 HA VAL 11 HA VAL 11 21.340 3.407 0.587 92 HB VAL 11 HB VAL 11 18.942 2.058 1.869 93 HG11 VAL 11 HG11 VAL 11 19.958 3.032 3.954 94 HG12 VAL 11 HG12 VAL 11 21.375 3.469 2.999 95 HG13 VAL 11 HG13 VAL 11 20.939 1.772 3.208 96 HG21 VAL 11 HG21 VAL 11 17.957 4.097 2.056 97 HG22 VAL 11 HG22 VAL 11 19.059 4.605 0.778 98 HG23 VAL 11 HG23 VAL 11 19.479 4.884 2.467 99 H LEU 12 HN LEU 12 19.449 0.388 0.259 100 HA LEU 12 HA LEU 12 21.421 -1.372 1.331 101 HB2 LEU 12 HB2 LEU 12 19.026 -1.622 -0.400 102 HB3 LEU 12 HB1 LEU 12 20.221 -2.903 -0.598 103 HG LEU 12 HG LEU 12 19.538 -2.110 2.195 104 HD11 LEU 12 HD11 LEU 12 17.621 -3.870 1.992 105 HD12 LEU 12 HD12 LEU 12 17.650 -3.458 0.277 106 HD13 LEU 12 HD13 LEU 12 17.308 -2.212 1.478 107 HD21 LEU 12 HD21 LEU 12 19.806 -4.845 0.929 108 HD22 LEU 12 HD22 LEU 12 19.993 -4.415 2.629 109 HD23 LEU 12 HD23 LEU 12 21.205 -3.906 1.453 110 H ALA 13 HN ALA 13 20.741 -0.610 -2.101 111 HA ALA 13 HA ALA 13 22.973 -2.002 -3.169 112 HB1 ALA 13 HB1 ALA 13 21.762 0.526 -4.319 113 HB2 ALA 13 HB2 ALA 13 21.019 -1.066 -4.476 114 HB3 ALA 13 HB3 ALA 13 22.597 -0.753 -5.197 115 H VAL 14 HN VAL 14 22.764 1.130 -1.644 116 HA VAL 14 HA VAL 14 25.471 1.887 -2.546 117 HB VAL 14 HB VAL 14 23.425 3.250 -0.772 118 HG11 VAL 14 HG11 VAL 14 26.277 3.966 -1.446 119 HG12 VAL 14 HG12 VAL 14 25.473 4.012 0.123 120 HG13 VAL 14 HG13 VAL 14 25.093 5.225 -1.100 121 HG21 VAL 14 HG21 VAL 14 23.517 4.919 -2.689 122 HG22 VAL 14 HG22 VAL 14 22.831 3.349 -3.108 123 HG23 VAL 14 HG23 VAL 14 24.487 3.739 -3.571 124 H LEU 15 HN LEU 15 23.810 1.234 0.556 125 HA LEU 15 HA LEU 15 26.116 1.382 2.184 126 HB2 LEU 15 HB2 LEU 15 24.287 1.193 3.535 127 HB3 LEU 15 HB1 LEU 15 23.430 0.136 2.417 128 HG LEU 15 HG LEU 15 25.861 -0.982 3.733 129 HD11 LEU 15 HD11 LEU 15 24.599 -1.550 5.771 130 HD12 LEU 15 HD12 LEU 15 23.227 -0.608 5.187 131 HD13 LEU 15 HD13 LEU 15 24.742 0.199 5.589 132 HD21 LEU 15 HD21 LEU 15 23.370 -2.504 3.813 133 HD22 LEU 15 HD22 LEU 15 24.912 -2.925 3.070 134 HD23 LEU 15 HD23 LEU 15 23.744 -1.949 2.181 135 H LEU 16 HN LEU 16 24.765 -1.355 0.337 136 HA LEU 16 HA LEU 16 26.521 -3.391 1.130 137 HB2 LEU 16 HB2 LEU 16 25.062 -2.745 -1.377 138 HB3 LEU 16 HB1 LEU 16 26.411 -3.867 -1.542 139 HG LEU 16 HG LEU 16 24.461 -4.283 0.697 140 HD11 LEU 16 HD11 LEU 16 24.018 -5.250 -2.140 141 HD12 LEU 16 HD12 LEU 16 23.111 -3.937 -1.387 142 HD13 LEU 16 HD13 LEU 16 22.992 -5.576 -0.744 143 HD21 LEU 16 HD21 LEU 16 25.157 -6.557 0.481 144 HD22 LEU 16 HD22 LEU 16 26.627 -5.599 0.303 145 HD23 LEU 16 HD23 LEU 16 25.835 -6.271 -1.122 146 H ILE 17 HN ILE 17 27.230 -0.467 -0.587 147 HA ILE 17 HA ILE 17 30.058 -1.376 -0.868 148 HB ILE 17 HB ILE 17 28.703 -1.179 -3.046 149 HG12 ILE 17 HG12 ILE 17 31.078 0.682 -2.966 150 HG13 ILE 17 HG11 ILE 17 31.270 -1.055 -2.721 151 HG21 ILE 17 HG21 ILE 17 29.010 1.770 -2.411 152 HG22 ILE 17 HG22 ILE 17 27.491 0.882 -2.495 153 HG23 ILE 17 HG23 ILE 17 28.460 1.104 -3.948 154 HD11 ILE 17 HD11 ILE 17 29.996 0.270 -5.129 155 HD12 ILE 17 HD12 ILE 17 30.117 -1.472 -4.875 156 HD13 ILE 17 HD13 ILE 17 31.579 -0.507 -5.087 157 H CYS 18 HN CYS 18 28.275 0.369 1.048 158 HA CYS 18 HA CYS 18 30.331 2.472 1.394 159 HB2 CYS 18 HB2 CYS 18 27.412 3.032 0.868 160 HB3 CYS 18 HB1 CYS 18 28.497 4.216 1.592 161 HG CYS 18 HG CYS 18 28.457 3.404 -1.362 162 H TRP 19 HN TRP 19 27.880 0.424 2.632 163 HA TRP 19 HA TRP 19 26.748 0.783 4.849 164 HB2 TRP 19 HB2 TRP 19 28.990 -0.621 5.979 165 HB3 TRP 19 HB1 TRP 19 27.441 -1.260 5.457 166 HD1 TRP 19 HD1 TRP 19 27.700 -3.063 3.691 167 HE1 TRP 19 HE1 TRP 19 29.316 -3.514 1.726 168 HE3 TRP 19 HE3 TRP 19 30.797 0.954 4.167 169 HZ2 TRP 19 HZ2 TRP 19 31.609 -2.310 0.518 170 HZ3 TRP 19 HZ3 TRP 19 32.674 1.294 2.595 171 HH2 TRP 19 HH2 TRP 19 33.083 -0.326 0.775 172 H PHE 20 HN PHE 20 29.841 0.595 6.393 173 HA PHE 20 HA PHE 20 30.038 3.469 6.881 174 HB2 PHE 20 HB2 PHE 20 29.651 1.828 9.376 175 HB3 PHE 20 HB1 PHE 20 29.487 3.561 9.151 176 HD1 PHE 20 HD1 PHE 20 27.481 4.517 8.070 177 HD2 PHE 20 HD2 PHE 20 27.812 0.306 8.863 178 HE1 PHE 20 HE1 PHE 20 25.042 4.260 7.727 179 HE2 PHE 20 HE2 PHE 20 25.373 0.053 8.507 180 HZ PHE 20 HZ PHE 20 23.987 2.026 7.940 181 HA PRO 21 HA PRO 21 33.662 1.302 8.976 182 HB2 PRO 21 HB2 PRO 21 33.526 -1.470 9.313 183 HB3 PRO 21 HB1 PRO 21 33.059 -0.260 10.517 184 HG2 PRO 21 HG2 PRO 21 31.372 -2.078 9.116 185 HG3 PRO 21 HG1 PRO 21 30.909 -0.843 10.294 186 HD2 PRO 21 HD2 PRO 21 30.744 -0.758 7.343 187 HD3 PRO 21 HD1 PRO 21 29.858 0.196 8.548 188 H VAL 22 HN VAL 22 32.343 -0.702 6.388 189 HA VAL 22 HA VAL 22 34.870 -1.856 5.633 190 HB VAL 22 HB VAL 22 32.687 -1.609 3.610 191 HG11 VAL 22 HG11 VAL 22 34.147 -4.039 4.673 192 HG12 VAL 22 HG12 VAL 22 34.812 -3.008 3.405 193 HG13 VAL 22 HG13 VAL 22 33.300 -3.874 3.135 194 HG21 VAL 22 HG21 VAL 22 31.535 -3.557 4.875 195 HG22 VAL 22 HG22 VAL 22 31.252 -1.925 5.475 196 HG23 VAL 22 HG23 VAL 22 32.409 -2.977 6.293 197 H LEU 23 HN LEU 23 33.528 1.274 5.074 198 HA LEU 23 HA LEU 23 34.799 1.743 2.519 199 HB2 LEU 23 HB2 LEU 23 34.624 4.209 3.210 200 HB3 LEU 23 HB1 LEU 23 33.116 3.320 3.046 201 HG LEU 23 HG LEU 23 33.705 2.864 5.684 202 HD11 LEU 23 HD11 LEU 23 34.840 4.590 6.669 203 HD12 LEU 23 HD12 LEU 23 34.227 5.781 5.522 204 HD13 LEU 23 HD13 LEU 23 35.578 4.741 5.075 205 HD21 LEU 23 HD21 LEU 23 32.204 5.204 4.468 206 HD22 LEU 23 HD22 LEU 23 32.017 4.638 6.126 207 HD23 LEU 23 HD23 LEU 23 31.545 3.600 4.784 208 H ALA 24 HN ALA 24 35.754 2.716 5.836 209 HA ALA 24 HA ALA 24 38.343 3.675 5.188 210 HB1 ALA 24 HB1 ALA 24 37.276 2.290 7.664 211 HB2 ALA 24 HB2 ALA 24 37.570 4.014 7.431 212 HB3 ALA 24 HB3 ALA 24 38.929 2.897 7.562 213 H LEU 25 HN LEU 25 37.156 0.401 5.788 214 HA LEU 25 HA LEU 25 39.748 -0.863 5.479 215 HB2 LEU 25 HB2 LEU 25 36.907 -1.764 5.655 216 HB3 LEU 25 HB1 LEU 25 38.040 -2.855 4.859 217 HG LEU 25 HG LEU 25 39.532 -2.731 6.834 218 HD11 LEU 25 HD11 LEU 25 38.268 -1.770 8.941 219 HD12 LEU 25 HD12 LEU 25 37.402 -0.817 7.739 220 HD13 LEU 25 HD13 LEU 25 39.154 -0.679 7.875 221 HD21 LEU 25 HD21 LEU 25 36.682 -3.450 7.595 222 HD22 LEU 25 HD22 LEU 25 38.157 -4.095 8.315 223 HD23 LEU 25 HD23 LEU 25 37.748 -4.487 6.645 224 H MET 26 HN MET 26 36.879 -0.652 3.359 225 HA MET 26 HA MET 26 37.828 -1.793 1.040 226 HB2 MET 26 HB2 MET 26 35.591 -0.867 1.141 227 HB3 MET 26 HB1 MET 26 36.224 0.765 1.335 228 HG2 MET 26 HG2 MET 26 37.387 -0.357 -1.033 229 HG3 MET 26 HG1 MET 26 35.645 -0.621 -1.098 230 HE1 MET 26 HE1 MET 26 34.177 2.527 -2.103 231 HE2 MET 26 HE2 MET 26 33.849 1.149 -1.054 232 HE3 MET 26 HE3 MET 26 34.573 0.888 -2.639 233 H ALA 27 HN ALA 27 38.484 1.551 2.100 234 HA ALA 27 HA ALA 27 40.073 2.310 -0.142 235 HB1 ALA 27 HB1 ALA 27 40.317 3.254 2.734 236 HB2 ALA 27 HB2 ALA 27 39.214 3.926 1.532 237 HB3 ALA 27 HB3 ALA 27 40.957 4.085 1.315 238 H HIS 28 HN HIS 28 40.726 -0.036 2.209 239 HA HIS 28 HA HIS 28 43.624 -0.001 1.464 240 HB2 HIS 28 HB2 HIS 28 42.948 0.877 3.873 241 HB3 HIS 28 HB1 HIS 28 42.804 -0.848 4.225 242 HD1 HIS 28 HD1 HIS 28 45.163 -1.704 2.235 243 HD2 HIS 28 HD2 HIS 28 45.405 1.190 5.240 244 HE1 HIS 28 HE1 HIS 28 47.623 -1.465 2.819 245 HE2 HIS 28 HE2 HIS 28 47.777 0.281 4.652 246 H SER 29 HN SER 29 40.961 -1.838 2.910 247 HA SER 29 HA SER 29 42.145 -4.440 2.610 248 HB2 SER 29 HB2 SER 29 39.186 -3.790 2.632 249 HB3 SER 29 HB1 SER 29 39.960 -5.266 3.185 250 HG SER 29 HG SER 29 41.125 -3.743 4.676 251 H LEU 30 HN LEU 30 39.780 -2.621 0.635 252 HA LEU 30 HA LEU 30 39.827 -4.625 -1.495 253 HB2 LEU 30 HB2 LEU 30 38.208 -2.388 -0.830 254 HB3 LEU 30 HB1 LEU 30 38.939 -2.013 -2.388 255 HG LEU 30 HG LEU 30 37.782 -4.752 -1.949 256 HD11 LEU 30 HD11 LEU 30 36.149 -2.328 -2.761 257 HD12 LEU 30 HD12 LEU 30 36.063 -3.102 -1.179 258 HD13 LEU 30 HD13 LEU 30 35.573 -3.991 -2.621 259 HD21 LEU 30 HD21 LEU 30 37.819 -2.905 -4.354 260 HD22 LEU 30 HD22 LEU 30 37.425 -4.623 -4.340 261 HD23 LEU 30 HD23 LEU 30 39.074 -4.095 -4.009 262 H ALA 31 HN ALA 31 41.388 -1.557 -0.756 263 HA ALA 31 HA ALA 31 43.229 -0.480 -1.719 264 HB1 ALA 31 HB1 ALA 31 44.820 -2.293 -2.853 265 HB2 ALA 31 HB2 ALA 31 43.738 -3.409 -2.021 266 HB3 ALA 31 HB3 ALA 31 44.634 -2.201 -1.102 267 H THR 32 HN THR 32 41.700 0.501 -3.332 268 HA THR 32 HA THR 32 41.243 -0.575 -5.912 269 HB THR 32 HB THR 32 41.600 2.227 -6.198 270 HG1 THR 32 HG1 THR 32 41.601 2.762 -4.149 271 HG21 THR 32 HG21 THR 32 39.773 0.774 -7.118 272 HG22 THR 32 HG22 THR 32 39.166 2.230 -6.330 273 HG23 THR 32 HG23 THR 32 39.085 0.680 -5.496 274 H THR 33 HN THR 33 43.912 1.497 -4.743 275 HA THR 33 HA THR 33 45.606 0.360 -6.905 276 HB THR 33 HB THR 33 46.466 2.550 -7.533 277 HG1 THR 33 HG1 THR 33 45.968 3.325 -5.277 278 HG21 THR 33 HG21 THR 33 44.547 3.434 -8.664 279 HG22 THR 33 HG22 THR 33 43.449 2.782 -7.448 280 HG23 THR 33 HG23 THR 33 44.293 1.693 -8.547 Start of MODEL 2 1 H1 ASP 1 HT1 ASP 1 7.855 -4.057 -2.285 2 H2 ASP 1 HT2 ASP 1 7.174 -2.580 -2.782 3 H3 ASP 1 HT3 ASP 1 6.802 -3.224 -1.253 4 HA ASP 1 HA ASP 1 9.615 -2.900 -1.625 5 HB2 ASP 1 HB2 ASP 1 8.113 -0.323 -1.284 6 HB3 ASP 1 HB1 ASP 1 9.771 -0.579 -1.814 7 H VAL 2 HN VAL 2 10.331 -1.555 0.349 8 HA VAL 2 HA VAL 2 8.388 -1.841 2.612 9 HB VAL 2 HB VAL 2 10.114 -3.161 3.472 10 HG11 VAL 2 HG11 VAL 2 11.439 -2.976 1.335 11 HG12 VAL 2 HG12 VAL 2 12.427 -3.060 2.792 12 HG13 VAL 2 HG13 VAL 2 12.175 -1.513 1.989 13 HG21 VAL 2 HG21 VAL 2 11.593 -0.591 3.964 14 HG22 VAL 2 HG22 VAL 2 11.297 -1.932 5.072 15 HG23 VAL 2 HG23 VAL 2 9.993 -0.817 4.662 16 H ARG 3 HN ARG 3 11.194 -0.210 1.363 17 HA ARG 3 HA ARG 3 9.805 2.402 1.690 18 HB2 ARG 3 HB2 ARG 3 12.225 1.987 2.781 19 HB3 ARG 3 HB1 ARG 3 12.746 2.254 1.120 20 HG2 ARG 3 HG2 ARG 3 12.776 4.391 2.127 21 HG3 ARG 3 HG1 ARG 3 11.307 4.370 1.158 22 HD2 ARG 3 HD2 ARG 3 11.099 5.268 3.566 23 HD3 ARG 3 HD1 ARG 3 9.929 4.049 3.063 24 HE ARG 3 HE ARG 3 12.355 3.039 4.419 25 HH11 ARG 3 HH21 ARG 3 9.022 3.975 4.568 26 HH12 ARG 3 HH22 ARG 3 8.705 3.075 6.009 27 HH21 ARG 3 HH11 ARG 3 11.945 1.884 6.312 28 HH22 ARG 3 HH12 ARG 3 10.366 1.929 7.022 29 H LEU 4 HN LEU 4 9.442 3.359 -0.363 30 HA LEU 4 HA LEU 4 9.108 1.837 -2.585 31 HB2 LEU 4 HB2 LEU 4 10.231 4.630 -2.876 32 HB3 LEU 4 HB1 LEU 4 9.106 3.802 -3.945 33 HG LEU 4 HG LEU 4 7.683 5.213 -2.740 34 HD11 LEU 4 HD11 LEU 4 7.646 2.896 -0.815 35 HD12 LEU 4 HD12 LEU 4 7.173 2.673 -2.499 36 HD13 LEU 4 HD13 LEU 4 6.295 3.808 -1.479 37 HD21 LEU 4 HD21 LEU 4 8.480 6.286 -0.940 38 HD22 LEU 4 HD22 LEU 4 9.810 5.138 -0.808 39 HD23 LEU 4 HD23 LEU 4 8.280 4.816 0.011 40 H ALA 5 HN ALA 5 10.405 0.609 -3.827 41 HA ALA 5 HA ALA 5 13.050 0.066 -3.435 42 HB1 ALA 5 HB1 ALA 5 11.836 0.244 -6.207 43 HB2 ALA 5 HB2 ALA 5 11.571 -1.096 -5.091 44 HB3 ALA 5 HB3 ALA 5 13.190 -0.774 -5.714 45 H LYS 6 HN LYS 6 11.857 2.624 -5.580 46 HA LYS 6 HA LYS 6 14.242 3.627 -6.627 47 HB2 LYS 6 HB2 LYS 6 11.606 4.512 -6.464 48 HB3 LYS 6 HB1 LYS 6 12.516 5.766 -5.624 49 HG2 LYS 6 HG2 LYS 6 13.521 4.724 -8.263 50 HG3 LYS 6 HG1 LYS 6 12.228 5.919 -8.233 51 HD2 LYS 6 HD2 LYS 6 13.863 7.475 -8.092 52 HD3 LYS 6 HD1 LYS 6 14.060 6.953 -6.419 53 HE2 LYS 6 HE2 LYS 6 15.456 5.089 -8.087 54 HE3 LYS 6 HE1 LYS 6 15.928 6.714 -8.579 55 HZ1 LYS 6 HZ1 LYS 6 17.304 5.824 -6.784 56 HZ2 LYS 6 HZ2 LYS 6 15.935 5.725 -5.776 57 HZ3 LYS 6 HZ3 LYS 6 16.490 7.238 -6.327 58 H THR 7 HN THR 7 12.833 4.203 -3.434 59 HA THR 7 HA THR 7 14.944 5.989 -2.551 60 HB THR 7 HB THR 7 13.618 4.546 -0.405 61 HG1 THR 7 HG1 THR 7 12.015 4.130 -1.916 62 HG21 THR 7 HG21 THR 7 13.274 7.384 -1.395 63 HG22 THR 7 HG22 THR 7 14.584 6.851 -0.340 64 HG23 THR 7 HG23 THR 7 12.912 6.779 0.220 65 H LEU 8 HN LEU 8 14.128 2.585 -1.882 66 HA LEU 8 HA LEU 8 16.419 1.883 -0.372 67 HB2 LEU 8 HB2 LEU 8 14.607 0.361 -2.236 68 HB3 LEU 8 HB1 LEU 8 16.020 -0.425 -1.547 69 HG LEU 8 HG LEU 8 13.854 0.951 0.070 70 HD11 LEU 8 HD11 LEU 8 13.880 -1.779 0.651 71 HD12 LEU 8 HD12 LEU 8 14.026 -1.708 -1.105 72 HD13 LEU 8 HD13 LEU 8 12.668 -0.925 -0.302 73 HD21 LEU 8 HD21 LEU 8 16.435 -0.421 0.725 74 HD22 LEU 8 HD22 LEU 8 15.077 -0.636 1.828 75 HD23 LEU 8 HD23 LEU 8 15.688 0.982 1.488 76 H GLY 9 HN GLY 9 15.904 2.002 -3.873 77 HA2 GLY 9 HA2 GLY 9 18.135 0.790 -4.898 78 HA3 GLY 9 HA1 GLY 9 17.509 2.284 -5.584 79 H LEU 10 HN LEU 10 18.100 4.207 -3.826 80 HA LEU 10 HA LEU 10 20.902 4.621 -4.165 81 HB2 LEU 10 HB2 LEU 10 18.686 6.002 -2.729 82 HB3 LEU 10 HB1 LEU 10 20.326 6.382 -2.201 83 HG LEU 10 HG LEU 10 20.956 6.987 -4.487 84 HD11 LEU 10 HD11 LEU 10 19.606 5.443 -5.753 85 HD12 LEU 10 HD12 LEU 10 19.118 7.071 -6.220 86 HD13 LEU 10 HD13 LEU 10 18.119 6.136 -5.108 87 HD21 LEU 10 HD21 LEU 10 18.408 8.237 -3.436 88 HD22 LEU 10 HD22 LEU 10 19.275 8.888 -4.826 89 HD23 LEU 10 HD23 LEU 10 20.060 8.825 -3.248 90 H VAL 11 HN VAL 11 19.076 4.066 -1.134 91 HA VAL 11 HA VAL 11 21.231 3.799 0.618 92 HB VAL 11 HB VAL 11 18.877 1.902 0.734 93 HG11 VAL 11 HG11 VAL 11 19.118 2.276 3.152 94 HG12 VAL 11 HG12 VAL 11 20.404 3.445 2.857 95 HG13 VAL 11 HG13 VAL 11 20.655 1.744 2.469 96 HG21 VAL 11 HG21 VAL 11 18.955 4.892 1.108 97 HG22 VAL 11 HG22 VAL 11 17.824 3.912 2.040 98 HG23 VAL 11 HG23 VAL 11 17.743 3.917 0.279 99 H LEU 12 HN LEU 12 19.728 1.223 -1.336 100 HA LEU 12 HA LEU 12 21.597 -0.829 -0.636 101 HB2 LEU 12 HB2 LEU 12 19.299 -0.733 -2.126 102 HB3 LEU 12 HB1 LEU 12 20.515 -0.873 -3.394 103 HG LEU 12 HG LEU 12 21.497 -2.789 -1.917 104 HD11 LEU 12 HD11 LEU 12 20.069 -2.302 0.054 105 HD12 LEU 12 HD12 LEU 12 19.815 -3.942 -0.541 106 HD13 LEU 12 HD13 LEU 12 18.635 -2.680 -0.901 107 HD21 LEU 12 HD21 LEU 12 18.941 -2.933 -3.534 108 HD22 LEU 12 HD22 LEU 12 19.730 -4.381 -2.912 109 HD23 LEU 12 HD23 LEU 12 20.580 -3.334 -4.047 110 H ALA 13 HN ALA 13 21.422 1.129 -3.627 111 HA ALA 13 HA ALA 13 23.848 0.265 -4.744 112 HB1 ALA 13 HB1 ALA 13 22.132 1.708 -5.877 113 HB2 ALA 13 HB2 ALA 13 23.787 2.273 -6.103 114 HB3 ALA 13 HB3 ALA 13 22.732 3.078 -4.941 115 H VAL 14 HN VAL 14 23.296 2.811 -2.337 116 HA VAL 14 HA VAL 14 26.107 3.631 -2.429 117 HB VAL 14 HB VAL 14 23.868 4.397 -0.528 118 HG11 VAL 14 HG11 VAL 14 26.683 5.430 -0.906 119 HG12 VAL 14 HG12 VAL 14 25.919 4.874 0.584 120 HG13 VAL 14 HG13 VAL 14 25.419 6.398 -0.149 121 HG21 VAL 14 HG21 VAL 14 23.638 6.381 -1.883 122 HG22 VAL 14 HG22 VAL 14 23.587 4.998 -2.976 123 HG23 VAL 14 HG23 VAL 14 25.058 5.961 -2.839 124 H LEU 15 HN LEU 15 24.016 1.931 -0.045 125 HA LEU 15 HA LEU 15 26.165 1.614 1.825 126 HB2 LEU 15 HB2 LEU 15 24.687 0.394 3.120 127 HB3 LEU 15 HB1 LEU 15 23.554 1.287 2.114 128 HG LEU 15 HG LEU 15 23.802 -0.804 0.509 129 HD11 LEU 15 HD11 LEU 15 23.863 -2.724 2.512 130 HD12 LEU 15 HD12 LEU 15 25.151 -1.620 2.992 131 HD13 LEU 15 HD13 LEU 15 25.186 -2.374 1.400 132 HD21 LEU 15 HD21 LEU 15 22.236 -0.777 3.103 133 HD22 LEU 15 HD22 LEU 15 21.917 -1.883 1.766 134 HD23 LEU 15 HD23 LEU 15 21.707 -0.146 1.544 135 H LEU 16 HN LEU 16 25.015 -0.378 -0.875 136 HA LEU 16 HA LEU 16 26.556 -2.704 -0.372 137 HB2 LEU 16 HB2 LEU 16 25.596 -1.378 -2.900 138 HB3 LEU 16 HB1 LEU 16 26.637 -2.798 -2.984 139 HG LEU 16 HG LEU 16 24.113 -2.743 -1.316 140 HD11 LEU 16 HD11 LEU 16 24.507 -3.559 -4.207 141 HD12 LEU 16 HD12 LEU 16 23.381 -2.356 -3.576 142 HD13 LEU 16 HD13 LEU 16 23.124 -4.068 -3.237 143 HD21 LEU 16 HD21 LEU 16 24.393 -5.274 -1.775 144 HD22 LEU 16 HD22 LEU 16 25.529 -4.531 -0.648 145 HD23 LEU 16 HD23 LEU 16 26.023 -4.866 -2.307 146 H ILE 17 HN ILE 17 27.618 0.471 -1.042 147 HA ILE 17 HA ILE 17 30.358 -0.588 -1.594 148 HB ILE 17 HB ILE 17 28.934 0.718 -3.452 149 HG12 ILE 17 HG12 ILE 17 31.853 1.346 -2.953 150 HG13 ILE 17 HG11 ILE 17 31.278 -0.192 -3.595 151 HG21 ILE 17 HG21 ILE 17 30.451 2.992 -2.175 152 HG22 ILE 17 HG22 ILE 17 28.748 2.704 -1.819 153 HG23 ILE 17 HG23 ILE 17 29.256 3.061 -3.468 154 HD11 ILE 17 HD11 ILE 17 31.968 1.352 -5.410 155 HD12 ILE 17 HD12 ILE 17 30.765 2.516 -4.855 156 HD13 ILE 17 HD13 ILE 17 30.249 0.960 -5.504 157 H CYS 18 HN CYS 18 28.511 0.820 0.688 158 HA CYS 18 HA CYS 18 30.853 2.105 1.964 159 HB2 CYS 18 HB2 CYS 18 28.349 3.527 1.114 160 HB3 CYS 18 HB1 CYS 18 29.226 4.074 2.544 161 HG CYS 18 HG CYS 18 30.968 3.729 0.026 162 H TRP 19 HN TRP 19 28.265 0.100 2.166 163 HA TRP 19 HA TRP 19 26.639 0.044 4.150 164 HB2 TRP 19 HB2 TRP 19 28.602 -1.860 5.114 165 HB3 TRP 19 HB1 TRP 19 27.065 -2.160 4.311 166 HD1 TRP 19 HD1 TRP 19 27.311 -3.365 2.099 167 HE1 TRP 19 HE1 TRP 19 29.093 -3.480 0.238 168 HE3 TRP 19 HE3 TRP 19 30.793 -0.165 4.017 169 HZ2 TRP 19 HZ2 TRP 19 31.652 -2.344 -0.363 170 HZ3 TRP 19 HZ3 TRP 19 32.879 0.314 2.777 171 HH2 TRP 19 HH2 TRP 19 33.312 -0.766 0.592 172 H PHE 20 HN PHE 20 29.695 -0.739 5.726 173 HA PHE 20 HA PHE 20 29.998 1.680 7.188 174 HB2 PHE 20 HB2 PHE 20 28.039 -0.244 8.281 175 HB3 PHE 20 HB1 PHE 20 29.249 0.305 9.440 176 HD1 PHE 20 HD1 PHE 20 29.796 3.028 8.916 177 HD2 PHE 20 HD2 PHE 20 26.063 0.955 8.418 178 HE1 PHE 20 HE1 PHE 20 28.570 5.175 9.119 179 HE2 PHE 20 HE2 PHE 20 24.841 3.100 8.622 180 HZ PHE 20 HZ PHE 20 26.094 5.211 8.975 181 HA PRO 21 HA PRO 21 32.680 -1.723 9.258 182 HB2 PRO 21 HB2 PRO 21 32.088 -4.281 7.991 183 HB3 PRO 21 HB1 PRO 21 31.996 -3.843 9.703 184 HG2 PRO 21 HG2 PRO 21 29.825 -4.377 8.141 185 HG3 PRO 21 HG1 PRO 21 29.788 -3.365 9.594 186 HD2 PRO 21 HD2 PRO 21 29.781 -2.539 6.720 187 HD3 PRO 21 HD1 PRO 21 28.986 -1.786 8.114 188 H VAL 22 HN VAL 22 31.935 -2.808 5.934 189 HA VAL 22 HA VAL 22 34.637 -3.446 5.268 190 HB VAL 22 HB VAL 22 32.572 -2.548 3.253 191 HG11 VAL 22 HG11 VAL 22 35.086 -3.391 2.851 192 HG12 VAL 22 HG12 VAL 22 33.776 -3.810 1.748 193 HG13 VAL 22 HG13 VAL 22 34.300 -4.966 2.972 194 HG21 VAL 22 HG21 VAL 22 31.215 -4.008 4.450 195 HG22 VAL 22 HG22 VAL 22 32.579 -4.966 5.031 196 HG23 VAL 22 HG23 VAL 22 32.024 -5.139 3.366 197 H LEU 23 HN LEU 23 33.289 -0.425 5.883 198 HA LEU 23 HA LEU 23 34.450 1.271 3.933 199 HB2 LEU 23 HB2 LEU 23 33.931 1.640 6.890 200 HB3 LEU 23 HB1 LEU 23 34.652 2.917 5.912 201 HG LEU 23 HG LEU 23 32.031 1.564 5.175 202 HD11 LEU 23 HD11 LEU 23 32.057 2.879 7.404 203 HD12 LEU 23 HD12 LEU 23 30.852 3.340 6.203 204 HD13 LEU 23 HD13 LEU 23 32.310 4.310 6.405 205 HD21 LEU 23 HD21 LEU 23 32.974 2.604 3.260 206 HD22 LEU 23 HD22 LEU 23 33.575 3.974 4.196 207 HD23 LEU 23 HD23 LEU 23 31.846 3.800 3.894 208 H ALA 24 HN ALA 24 35.854 0.411 7.118 209 HA ALA 24 HA ALA 24 38.472 1.389 6.564 210 HB1 ALA 24 HB1 ALA 24 37.690 0.705 8.833 211 HB2 ALA 24 HB2 ALA 24 39.212 -0.072 8.396 212 HB3 ALA 24 HB3 ALA 24 37.701 -0.979 8.308 213 H LEU 25 HN LEU 25 37.101 -1.888 6.198 214 HA LEU 25 HA LEU 25 39.391 -3.135 5.122 215 HB2 LEU 25 HB2 LEU 25 36.446 -3.607 4.823 216 HB3 LEU 25 HB1 LEU 25 37.557 -4.490 3.781 217 HG LEU 25 HG LEU 25 38.808 -5.205 5.857 218 HD11 LEU 25 HD11 LEU 25 37.493 -5.033 7.995 219 HD12 LEU 25 HD12 LEU 25 36.390 -3.931 7.174 220 HD13 LEU 25 HD13 LEU 25 38.081 -3.482 7.401 221 HD21 LEU 25 HD21 LEU 25 35.873 -5.979 5.796 222 HD22 LEU 25 HD22 LEU 25 37.201 -6.942 6.446 223 HD23 LEU 25 HD23 LEU 25 37.098 -6.636 4.712 224 H MET 26 HN MET 26 36.832 -1.273 3.522 225 HA MET 26 HA MET 26 37.880 -1.593 0.865 226 HB2 MET 26 HB2 MET 26 35.603 -0.869 1.115 227 HB3 MET 26 HB1 MET 26 36.081 0.492 2.127 228 HG2 MET 26 HG2 MET 26 37.258 0.299 -0.617 229 HG3 MET 26 HG1 MET 26 35.581 0.816 -0.462 230 HE1 MET 26 HE1 MET 26 37.251 4.215 -1.016 231 HE2 MET 26 HE2 MET 26 36.002 3.069 -1.496 232 HE3 MET 26 HE3 MET 26 37.698 2.677 -1.766 233 H ALA 27 HN ALA 27 38.123 1.063 3.221 234 HA ALA 27 HA ALA 27 39.863 2.651 1.602 235 HB1 ALA 27 HB1 ALA 27 39.877 2.747 4.612 236 HB2 ALA 27 HB2 ALA 27 38.466 3.295 3.706 237 HB3 ALA 27 HB3 ALA 27 40.027 4.076 3.466 238 H HIS 28 HN HIS 28 40.472 0.078 3.918 239 HA HIS 28 HA HIS 28 43.410 0.575 3.619 240 HB2 HIS 28 HB2 HIS 28 42.360 0.666 5.927 241 HB3 HIS 28 HB1 HIS 28 42.065 -1.067 5.769 242 HD1 HIS 28 HD1 HIS 28 44.879 -1.383 4.079 243 HD2 HIS 28 HD2 HIS 28 44.353 0.110 7.951 244 HE1 HIS 28 HE1 HIS 28 47.111 -1.637 5.269 245 HE2 HIS 28 HE2 HIS 28 46.796 -0.740 7.625 246 H SER 29 HN SER 29 41.100 -2.156 3.919 247 HA SER 29 HA SER 29 43.107 -4.093 3.162 248 HB2 SER 29 HB2 SER 29 40.434 -4.171 4.112 249 HB3 SER 29 HB1 SER 29 40.441 -5.050 2.594 250 HG SER 29 HG SER 29 41.847 -5.526 4.995 251 H LEU 30 HN LEU 30 40.284 -2.760 1.396 252 HA LEU 30 HA LEU 30 41.067 -3.891 -1.147 253 HB2 LEU 30 HB2 LEU 30 38.800 -2.743 -0.350 254 HB3 LEU 30 HB1 LEU 30 39.574 -1.296 -0.996 255 HG LEU 30 HG LEU 30 40.072 -3.015 -3.028 256 HD11 LEU 30 HD11 LEU 30 38.846 -4.853 -1.891 257 HD12 LEU 30 HD12 LEU 30 38.093 -4.400 -3.420 258 HD13 LEU 30 HD13 LEU 30 37.389 -3.860 -1.896 259 HD21 LEU 30 HD21 LEU 30 38.999 -0.812 -3.244 260 HD22 LEU 30 HD22 LEU 30 37.499 -1.460 -2.577 261 HD23 LEU 30 HD23 LEU 30 38.083 -2.021 -4.144 262 H ALA 31 HN ALA 31 41.508 -0.687 0.350 263 HA ALA 31 HA ALA 31 42.905 1.109 -0.325 264 HB1 ALA 31 HB1 ALA 31 44.568 -1.374 -0.056 265 HB2 ALA 31 HB2 ALA 31 44.512 0.046 0.988 266 HB3 ALA 31 HB3 ALA 31 45.338 0.126 -0.568 267 H THR 32 HN THR 32 41.686 1.193 -2.465 268 HA THR 32 HA THR 32 42.568 -0.039 -4.836 269 HB THR 32 HB THR 32 40.502 1.273 -4.727 270 HG1 THR 32 HG1 THR 32 41.029 1.296 -6.775 271 HG21 THR 32 HG21 THR 32 42.115 3.811 -4.701 272 HG22 THR 32 HG22 THR 32 41.650 3.033 -3.189 273 HG23 THR 32 HG23 THR 32 40.412 3.581 -4.319 274 H THR 33 HN THR 33 43.724 2.977 -3.318 275 HA THR 33 HA THR 33 46.337 2.547 -4.593 276 HB THR 33 HB THR 33 46.160 5.221 -5.049 277 HG1 THR 33 HG1 THR 33 43.851 4.972 -4.479 278 HG21 THR 33 HG21 THR 33 45.230 3.102 -7.001 279 HG22 THR 33 HG22 THR 33 46.918 3.414 -6.603 280 HG23 THR 33 HG23 THR 33 45.957 4.658 -7.400 Start of MODEL 3 1 H1 ASP 1 HT1 ASP 1 8.001 -1.160 -0.658 2 H2 ASP 1 HT2 ASP 1 7.828 0.246 0.278 3 H3 ASP 1 HT3 ASP 1 6.974 -1.164 0.684 4 HA ASP 1 HA ASP 1 8.996 -2.306 1.237 5 HB2 ASP 1 HB2 ASP 1 11.128 -1.000 1.226 6 HB3 ASP 1 HB1 ASP 1 10.466 -1.239 -0.390 7 H VAL 2 HN VAL 2 10.489 0.429 2.422 8 HA VAL 2 HA VAL 2 8.658 0.549 4.791 9 HB VAL 2 HB VAL 2 11.517 1.173 5.255 10 HG11 VAL 2 HG11 VAL 2 9.776 1.051 7.027 11 HG12 VAL 2 HG12 VAL 2 11.080 -0.105 7.298 12 HG13 VAL 2 HG13 VAL 2 9.535 -0.653 6.647 13 HG21 VAL 2 HG21 VAL 2 10.584 -1.628 4.543 14 HG22 VAL 2 HG22 VAL 2 12.075 -1.292 5.421 15 HG23 VAL 2 HG23 VAL 2 11.877 -0.711 3.769 16 H ARG 3 HN ARG 3 10.560 2.198 2.430 17 HA ARG 3 HA ARG 3 9.494 4.807 3.411 18 HB2 ARG 3 HB2 ARG 3 11.786 5.728 2.429 19 HB3 ARG 3 HB1 ARG 3 11.709 5.162 4.086 20 HG2 ARG 3 HG2 ARG 3 12.274 2.833 2.700 21 HG3 ARG 3 HG1 ARG 3 13.177 4.049 1.801 22 HD2 ARG 3 HD2 ARG 3 14.650 3.265 3.520 23 HD3 ARG 3 HD1 ARG 3 14.098 4.851 4.042 24 HE ARG 3 HE ARG 3 13.221 2.244 5.183 25 HH11 ARG 3 HH21 ARG 3 13.240 5.718 5.177 26 HH12 ARG 3 HH22 ARG 3 12.496 5.850 6.732 27 HH21 ARG 3 HH11 ARG 3 12.257 2.415 7.202 28 HH22 ARG 3 HH12 ARG 3 11.939 3.973 7.883 29 H LEU 4 HN LEU 4 11.548 3.564 0.827 30 HA LEU 4 HA LEU 4 9.520 3.465 -1.140 31 HB2 LEU 4 HB2 LEU 4 10.278 6.096 -0.748 32 HB3 LEU 4 HB1 LEU 4 11.348 5.593 -2.054 33 HG LEU 4 HG LEU 4 9.366 6.419 -3.116 34 HD11 LEU 4 HD11 LEU 4 10.284 4.083 -3.798 35 HD12 LEU 4 HD12 LEU 4 8.693 4.554 -4.392 36 HD13 LEU 4 HD13 LEU 4 8.829 3.447 -3.026 37 HD21 LEU 4 HD21 LEU 4 7.134 5.805 -2.476 38 HD22 LEU 4 HD22 LEU 4 7.978 6.239 -0.990 39 HD23 LEU 4 HD23 LEU 4 7.725 4.542 -1.397 40 H ALA 5 HN ALA 5 10.324 1.931 -2.500 41 HA ALA 5 HA ALA 5 12.718 0.633 -2.192 42 HB1 ALA 5 HB1 ALA 5 11.215 1.098 -4.786 43 HB2 ALA 5 HB2 ALA 5 11.048 -0.273 -3.687 44 HB3 ALA 5 HB3 ALA 5 12.534 -0.062 -4.615 45 H LYS 6 HN LYS 6 12.232 3.650 -3.907 46 HA LYS 6 HA LYS 6 14.821 3.706 -5.178 47 HB2 LYS 6 HB2 LYS 6 12.537 5.513 -4.890 48 HB3 LYS 6 HB1 LYS 6 14.075 6.368 -4.773 49 HG2 LYS 6 HG2 LYS 6 13.341 4.440 -7.000 50 HG3 LYS 6 HG1 LYS 6 13.247 6.196 -7.124 51 HD2 LYS 6 HD2 LYS 6 15.839 5.070 -6.171 52 HD3 LYS 6 HD1 LYS 6 15.435 4.802 -7.866 53 HE2 LYS 6 HE2 LYS 6 15.145 7.548 -6.651 54 HE3 LYS 6 HE1 LYS 6 16.717 6.987 -7.230 55 HZ1 LYS 6 HZ1 LYS 6 14.339 6.722 -8.948 56 HZ2 LYS 6 HZ2 LYS 6 15.973 6.840 -9.384 57 HZ3 LYS 6 HZ3 LYS 6 15.139 8.213 -8.835 58 H THR 7 HN THR 7 13.547 5.356 -2.255 59 HA THR 7 HA THR 7 15.968 6.504 -1.389 60 HB THR 7 HB THR 7 14.488 5.439 0.859 61 HG1 THR 7 HG1 THR 7 12.773 5.168 -0.521 62 HG21 THR 7 HG21 THR 7 15.773 7.550 0.811 63 HG22 THR 7 HG22 THR 7 14.101 7.818 1.298 64 HG23 THR 7 HG23 THR 7 14.617 8.220 -0.340 65 H LEU 8 HN LEU 8 14.602 3.309 -0.632 66 HA LEU 8 HA LEU 8 16.922 2.357 0.789 67 HB2 LEU 8 HB2 LEU 8 14.607 0.997 -0.597 68 HB3 LEU 8 HB1 LEU 8 15.926 0.070 0.109 69 HG LEU 8 HG LEU 8 14.322 2.132 1.640 70 HD11 LEU 8 HD11 LEU 8 13.233 -0.167 0.770 71 HD12 LEU 8 HD12 LEU 8 12.868 0.506 2.357 72 HD13 LEU 8 HD13 LEU 8 14.062 -0.784 2.201 73 HD21 LEU 8 HD21 LEU 8 16.493 0.158 2.329 74 HD22 LEU 8 HD22 LEU 8 15.344 0.682 3.559 75 HD23 LEU 8 HD23 LEU 8 16.375 1.863 2.758 76 H GLY 9 HN GLY 9 15.795 1.920 -2.572 77 HA2 GLY 9 HA2 GLY 9 17.885 0.383 -3.597 78 HA3 GLY 9 HA1 GLY 9 17.043 1.616 -4.534 79 H LEU 10 HN LEU 10 17.774 3.938 -3.257 80 HA LEU 10 HA LEU 10 20.465 4.365 -4.204 81 HB2 LEU 10 HB2 LEU 10 18.530 5.991 -2.561 82 HB3 LEU 10 HB1 LEU 10 20.195 6.532 -2.776 83 HG LEU 10 HG LEU 10 18.408 5.776 -5.105 84 HD11 LEU 10 HD11 LEU 10 18.202 8.272 -5.427 85 HD12 LEU 10 HD12 LEU 10 18.882 8.475 -3.811 86 HD13 LEU 10 HD13 LEU 10 17.338 7.648 -4.020 87 HD21 LEU 10 HD21 LEU 10 21.191 6.531 -4.776 88 HD22 LEU 10 HD22 LEU 10 20.352 7.706 -5.788 89 HD23 LEU 10 HD23 LEU 10 20.351 6.002 -6.233 90 H VAL 11 HN VAL 11 19.138 4.388 -0.868 91 HA VAL 11 HA VAL 11 21.579 4.537 0.519 92 HB VAL 11 HB VAL 11 19.140 2.883 1.269 93 HG11 VAL 11 HG11 VAL 11 21.504 3.918 2.855 94 HG12 VAL 11 HG12 VAL 11 20.965 2.246 2.689 95 HG13 VAL 11 HG13 VAL 11 19.999 3.398 3.616 96 HG21 VAL 11 HG21 VAL 11 19.100 5.532 0.777 97 HG22 VAL 11 HG22 VAL 11 19.703 5.573 2.434 98 HG23 VAL 11 HG23 VAL 11 18.156 4.805 2.076 99 H LEU 12 HN LEU 12 19.884 1.632 -0.688 100 HA LEU 12 HA LEU 12 21.893 -0.237 0.153 101 HB2 LEU 12 HB2 LEU 12 19.613 -0.248 -1.768 102 HB3 LEU 12 HB1 LEU 12 20.860 -1.470 -2.011 103 HG LEU 12 HG LEU 12 20.618 -2.165 0.364 104 HD11 LEU 12 HD11 LEU 12 19.810 0.024 1.225 105 HD12 LEU 12 HD12 LEU 12 18.750 -1.306 1.687 106 HD13 LEU 12 HD13 LEU 12 18.286 -0.227 0.373 107 HD21 LEU 12 HD21 LEU 12 18.322 -3.149 0.126 108 HD22 LEU 12 HD22 LEU 12 19.323 -3.364 -1.310 109 HD23 LEU 12 HD23 LEU 12 18.069 -2.123 -1.285 110 H ALA 13 HN ALA 13 21.328 1.322 -3.031 111 HA ALA 13 HA ALA 13 23.613 0.272 -4.343 112 HB1 ALA 13 HB1 ALA 13 21.927 1.519 -5.589 113 HB2 ALA 13 HB2 ALA 13 23.488 2.320 -5.781 114 HB3 ALA 13 HB3 ALA 13 22.286 2.981 -4.670 115 H VAL 14 HN VAL 14 23.278 3.022 -2.155 116 HA VAL 14 HA VAL 14 26.069 3.833 -2.481 117 HB VAL 14 HB VAL 14 24.056 4.590 -0.334 118 HG11 VAL 14 HG11 VAL 14 25.552 6.543 -0.019 119 HG12 VAL 14 HG12 VAL 14 26.665 5.873 -1.211 120 HG13 VAL 14 HG13 VAL 14 26.391 5.028 0.313 121 HG21 VAL 14 HG21 VAL 14 23.328 6.319 -1.695 122 HG22 VAL 14 HG22 VAL 14 23.673 5.099 -2.922 123 HG23 VAL 14 HG23 VAL 14 24.840 6.382 -2.602 124 H LEU 15 HN LEU 15 24.147 2.170 0.049 125 HA LEU 15 HA LEU 15 26.340 1.662 1.799 126 HB2 LEU 15 HB2 LEU 15 24.475 1.009 2.919 127 HB3 LEU 15 HB1 LEU 15 23.604 0.599 1.445 128 HG LEU 15 HG LEU 15 25.848 -1.211 2.150 129 HD11 LEU 15 HD11 LEU 15 24.699 -0.605 4.355 130 HD12 LEU 15 HD12 LEU 15 24.722 -2.320 3.940 131 HD13 LEU 15 HD13 LEU 15 23.253 -1.373 3.694 132 HD21 LEU 15 HD21 LEU 15 24.341 -2.877 1.303 133 HD22 LEU 15 HD22 LEU 15 24.168 -1.477 0.246 134 HD23 LEU 15 HD23 LEU 15 22.955 -1.802 1.483 135 H LEU 16 HN LEU 16 25.140 -0.087 -1.061 136 HA LEU 16 HA LEU 16 26.802 -2.361 -0.957 137 HB2 LEU 16 HB2 LEU 16 25.709 -0.704 -3.214 138 HB3 LEU 16 HB1 LEU 16 26.855 -1.996 -3.570 139 HG LEU 16 HG LEU 16 24.308 -2.361 -1.960 140 HD11 LEU 16 HD11 LEU 16 23.868 -1.819 -4.345 141 HD12 LEU 16 HD12 LEU 16 23.423 -3.478 -3.951 142 HD13 LEU 16 HD13 LEU 16 24.919 -3.150 -4.823 143 HD21 LEU 16 HD21 LEU 16 25.591 -4.158 -1.296 144 HD22 LEU 16 HD22 LEU 16 26.590 -4.120 -2.751 145 HD23 LEU 16 HD23 LEU 16 24.973 -4.823 -2.808 146 H ILE 17 HN ILE 17 27.686 0.942 -1.227 147 HA ILE 17 HA ILE 17 30.508 0.095 -1.676 148 HB ILE 17 HB ILE 17 29.410 1.298 -3.663 149 HG12 ILE 17 HG12 ILE 17 31.416 2.823 -3.959 150 HG13 ILE 17 HG11 ILE 17 31.893 2.397 -2.317 151 HG21 ILE 17 HG21 ILE 17 29.474 3.840 -3.371 152 HG22 ILE 17 HG22 ILE 17 29.460 3.534 -1.635 153 HG23 ILE 17 HG23 ILE 17 28.115 2.990 -2.638 154 HD11 ILE 17 HD11 ILE 17 32.656 1.004 -4.537 155 HD12 ILE 17 HD12 ILE 17 31.230 0.093 -4.043 156 HD13 ILE 17 HD13 ILE 17 32.572 0.311 -2.918 157 H CYS 18 HN CYS 18 28.706 0.743 0.715 158 HA CYS 18 HA CYS 18 30.697 2.398 2.126 159 HB2 CYS 18 HB2 CYS 18 28.009 3.381 1.347 160 HB3 CYS 18 HB1 CYS 18 28.494 3.700 3.011 161 HG CYS 18 HG CYS 18 30.171 4.649 0.540 162 H TRP 19 HN TRP 19 28.011 0.233 2.069 163 HA TRP 19 HA TRP 19 26.756 -0.486 4.117 164 HB2 TRP 19 HB2 TRP 19 28.740 -2.499 4.461 165 HB3 TRP 19 HB1 TRP 19 27.263 -2.582 3.516 166 HD1 TRP 19 HD1 TRP 19 27.725 -3.225 1.097 167 HE1 TRP 19 HE1 TRP 19 29.592 -2.747 -0.625 168 HE3 TRP 19 HE3 TRP 19 30.841 -0.391 3.955 169 HZ2 TRP 19 HZ2 TRP 19 32.079 -1.356 -0.756 170 HZ3 TRP 19 HZ3 TRP 19 32.950 0.511 3.010 171 HH2 TRP 19 HH2 TRP 19 33.571 0.033 0.659 172 H PHE 20 HN PHE 20 29.684 -1.750 5.444 173 HA PHE 20 HA PHE 20 29.936 0.422 7.405 174 HB2 PHE 20 HB2 PHE 20 29.529 -2.255 8.671 175 HB3 PHE 20 HB1 PHE 20 29.171 -0.650 9.290 176 HD1 PHE 20 HD1 PHE 20 27.148 0.593 8.460 177 HD2 PHE 20 HD2 PHE 20 27.857 -3.534 7.482 178 HE1 PHE 20 HE1 PHE 20 24.770 0.337 7.806 179 HE2 PHE 20 HE2 PHE 20 25.484 -3.785 6.826 180 HZ PHE 20 HZ PHE 20 23.936 -1.853 6.989 181 HA PRO 21 HA PRO 21 33.417 -2.664 8.245 182 HB2 PRO 21 HB2 PRO 21 33.203 -5.144 6.844 183 HB3 PRO 21 HB1 PRO 21 32.900 -4.848 8.560 184 HG2 PRO 21 HG2 PRO 21 30.992 -5.561 6.668 185 HG3 PRO 21 HG1 PRO 21 30.669 -4.891 8.274 186 HD2 PRO 21 HD2 PRO 21 30.649 -3.508 5.620 187 HD3 PRO 21 HD1 PRO 21 29.662 -3.199 7.061 188 H VAL 22 HN VAL 22 32.439 -3.360 4.887 189 HA VAL 22 HA VAL 22 35.041 -3.701 3.843 190 HB VAL 22 HB VAL 22 32.686 -2.537 2.327 191 HG11 VAL 22 HG11 VAL 22 35.060 -4.250 1.521 192 HG12 VAL 22 HG12 VAL 22 34.783 -2.568 1.073 193 HG13 VAL 22 HG13 VAL 22 33.721 -3.830 0.451 194 HG21 VAL 22 HG21 VAL 22 33.076 -5.172 3.598 195 HG22 VAL 22 HG22 VAL 22 32.665 -5.260 1.886 196 HG23 VAL 22 HG23 VAL 22 31.596 -4.416 3.006 197 H LEU 23 HN LEU 23 33.721 -0.889 5.166 198 HA LEU 23 HA LEU 23 35.044 1.054 3.466 199 HB2 LEU 23 HB2 LEU 23 34.518 2.657 5.105 200 HB3 LEU 23 HB1 LEU 23 33.224 1.478 5.295 201 HG LEU 23 HG LEU 23 34.832 0.378 7.055 202 HD11 LEU 23 HD11 LEU 23 36.744 1.485 7.512 203 HD12 LEU 23 HD12 LEU 23 35.821 2.925 7.929 204 HD13 LEU 23 HD13 LEU 23 36.353 2.671 6.267 205 HD21 LEU 23 HD21 LEU 23 33.521 1.350 8.663 206 HD22 LEU 23 HD22 LEU 23 32.649 1.963 7.259 207 HD23 LEU 23 HD23 LEU 23 33.829 2.983 8.079 208 H ALA 24 HN ALA 24 35.945 -0.945 6.214 209 HA ALA 24 HA ALA 24 38.622 0.149 6.531 210 HB1 ALA 24 HB1 ALA 24 37.217 -2.373 7.398 211 HB2 ALA 24 HB2 ALA 24 37.926 -1.102 8.395 212 HB3 ALA 24 HB3 ALA 24 38.970 -2.247 7.555 213 H LEU 25 HN LEU 25 37.183 -2.595 4.808 214 HA LEU 25 HA LEU 25 39.582 -3.515 3.522 215 HB2 LEU 25 HB2 LEU 25 36.641 -3.698 2.892 216 HB3 LEU 25 HB1 LEU 25 37.828 -4.273 1.732 217 HG LEU 25 HG LEU 25 38.781 -5.443 3.991 218 HD11 LEU 25 HD11 LEU 25 35.779 -5.622 4.288 219 HD12 LEU 25 HD12 LEU 25 36.752 -4.482 5.219 220 HD13 LEU 25 HD13 LEU 25 37.019 -6.216 5.394 221 HD21 LEU 25 HD21 LEU 25 37.728 -7.498 3.184 222 HD22 LEU 25 HD22 LEU 25 38.244 -6.525 1.807 223 HD23 LEU 25 HD23 LEU 25 36.544 -6.562 2.271 224 H MET 26 HN MET 26 36.970 -1.382 2.406 225 HA MET 26 HA MET 26 38.114 -0.573 -0.040 226 HB2 MET 26 HB2 MET 26 35.810 -0.056 0.630 227 HB3 MET 26 HB1 MET 26 36.401 1.016 1.898 228 HG2 MET 26 HG2 MET 26 37.712 1.942 -0.366 229 HG3 MET 26 HG1 MET 26 36.121 1.500 -0.984 230 HE1 MET 26 HE1 MET 26 37.206 4.621 2.176 231 HE2 MET 26 HE2 MET 26 38.264 3.511 1.309 232 HE3 MET 26 HE3 MET 26 37.262 2.915 2.628 233 H ALA 27 HN ALA 27 38.623 0.659 3.250 234 HA ALA 27 HA ALA 27 40.531 2.684 2.289 235 HB1 ALA 27 HB1 ALA 27 39.141 3.198 4.247 236 HB2 ALA 27 HB2 ALA 27 40.842 3.156 4.713 237 HB3 ALA 27 HB3 ALA 27 39.790 1.792 5.094 238 H HIS 28 HN HIS 28 40.853 -0.470 2.202 239 HA HIS 28 HA HIS 28 43.738 -0.395 2.677 240 HB2 HIS 28 HB2 HIS 28 42.287 -0.974 4.912 241 HB3 HIS 28 HB1 HIS 28 42.471 -2.588 4.229 242 HD1 HIS 28 HD1 HIS 28 45.091 -3.179 3.510 243 HD2 HIS 28 HD2 HIS 28 44.513 -0.147 6.326 244 HE1 HIS 28 HE1 HIS 28 47.304 -2.874 4.714 245 HE2 HIS 28 HE2 HIS 28 46.962 -1.031 6.427 246 H SER 29 HN SER 29 41.292 -3.001 2.738 247 HA SER 29 HA SER 29 42.647 -4.788 1.025 248 HB2 SER 29 HB2 SER 29 39.656 -4.366 1.240 249 HB3 SER 29 HB1 SER 29 40.452 -5.823 0.670 250 HG SER 29 HG SER 29 40.388 -6.361 2.707 251 H LEU 30 HN LEU 30 40.546 -2.049 0.289 252 HA LEU 30 HA LEU 30 41.131 -2.457 -2.618 253 HB2 LEU 30 HB2 LEU 30 38.689 -2.004 -1.376 254 HB3 LEU 30 HB1 LEU 30 39.141 -0.399 -1.951 255 HG LEU 30 HG LEU 30 39.228 -2.873 -3.705 256 HD11 LEU 30 HD11 LEU 30 37.069 -0.750 -3.544 257 HD12 LEU 30 HD12 LEU 30 36.912 -2.392 -2.924 258 HD13 LEU 30 HD13 LEU 30 37.107 -2.119 -4.655 259 HD21 LEU 30 HD21 LEU 30 40.643 -1.073 -4.510 260 HD22 LEU 30 HD22 LEU 30 39.366 0.112 -4.239 261 HD23 LEU 30 HD23 LEU 30 39.187 -1.101 -5.504 262 H ALA 31 HN ALA 31 43.119 -1.405 -0.903 263 HA ALA 31 HA ALA 31 43.138 1.463 -0.817 264 HB1 ALA 31 HB1 ALA 31 44.714 0.291 0.563 265 HB2 ALA 31 HB2 ALA 31 45.666 1.137 -0.655 266 HB3 ALA 31 HB3 ALA 31 45.366 -0.592 -0.816 267 H THR 32 HN THR 32 42.178 1.601 -3.114 268 HA THR 32 HA THR 32 43.914 1.024 -5.357 269 HB THR 32 HB THR 32 41.662 1.076 -5.989 270 HG1 THR 32 HG1 THR 32 42.394 3.783 -6.455 271 HG21 THR 32 HG21 THR 32 40.588 1.910 -4.068 272 HG22 THR 32 HG22 THR 32 40.200 3.104 -5.306 273 HG23 THR 32 HG23 THR 32 41.469 3.437 -4.127 274 H THR 33 HN THR 33 44.369 2.980 -6.922 275 HA THR 33 HA THR 33 46.192 4.786 -5.592 276 HB THR 33 HB THR 33 45.971 5.899 -8.007 277 HG1 THR 33 HG1 THR 33 44.115 4.706 -8.551 278 HG21 THR 33 HG21 THR 33 47.606 4.253 -8.830 279 HG22 THR 33 HG22 THR 33 47.137 3.134 -7.547 280 HG23 THR 33 HG23 THR 33 47.931 4.657 -7.145 Start of MODEL 4 1 H1 ASP 1 HT1 ASP 1 4.929 0.547 -3.399 2 H2 ASP 1 HT2 ASP 1 4.182 1.524 -2.222 3 H3 ASP 1 HT3 ASP 1 4.318 -0.145 -1.974 4 HA ASP 1 HA ASP 1 6.458 -0.034 -1.316 5 HB2 ASP 1 HB2 ASP 1 6.786 2.437 -3.040 6 HB3 ASP 1 HB1 ASP 1 8.076 1.534 -2.250 7 H VAL 2 HN VAL 2 7.038 0.831 0.659 8 HA VAL 2 HA VAL 2 5.435 2.876 1.899 9 HB VAL 2 HB VAL 2 6.540 1.255 3.305 10 HG11 VAL 2 HG11 VAL 2 8.450 0.399 2.429 11 HG12 VAL 2 HG12 VAL 2 9.245 1.710 3.298 12 HG13 VAL 2 HG13 VAL 2 8.852 1.894 1.592 13 HG21 VAL 2 HG21 VAL 2 7.733 4.028 3.533 14 HG22 VAL 2 HG22 VAL 2 8.033 2.773 4.733 15 HG23 VAL 2 HG23 VAL 2 6.390 3.341 4.444 16 H ARG 3 HN ARG 3 8.476 2.878 0.138 17 HA ARG 3 HA ARG 3 8.254 5.764 -0.307 18 HB2 ARG 3 HB2 ARG 3 10.839 5.860 0.426 19 HB3 ARG 3 HB1 ARG 3 9.540 6.184 1.572 20 HG2 ARG 3 HG2 ARG 3 9.594 3.821 2.303 21 HG3 ARG 3 HG1 ARG 3 10.904 3.501 1.166 22 HD2 ARG 3 HD2 ARG 3 11.374 5.803 2.954 23 HD3 ARG 3 HD1 ARG 3 11.263 4.252 3.786 24 HE ARG 3 HE ARG 3 12.991 3.728 1.691 25 HH11 ARG 3 HH21 ARG 3 12.767 6.082 4.215 26 HH12 ARG 3 HH22 ARG 3 14.477 6.324 4.324 27 HH21 ARG 3 HH11 ARG 3 15.231 4.034 1.823 28 HH22 ARG 3 HH12 ARG 3 15.869 5.160 2.979 29 H LEU 4 HN LEU 4 8.053 3.620 -2.060 30 HA LEU 4 HA LEU 4 8.829 2.849 -4.112 31 HB2 LEU 4 HB2 LEU 4 10.583 5.275 -3.709 32 HB3 LEU 4 HB1 LEU 4 10.816 4.207 -5.090 33 HG LEU 4 HG LEU 4 8.293 4.480 -5.523 34 HD11 LEU 4 HD11 LEU 4 8.793 6.646 -3.473 35 HD12 LEU 4 HD12 LEU 4 7.511 5.434 -3.493 36 HD13 LEU 4 HD13 LEU 4 7.486 6.761 -4.651 37 HD21 LEU 4 HD21 LEU 4 8.645 6.567 -6.746 38 HD22 LEU 4 HD22 LEU 4 10.087 5.562 -6.868 39 HD23 LEU 4 HD23 LEU 4 10.060 6.935 -5.761 40 H ALA 5 HN ALA 5 9.813 0.903 -4.142 41 HA ALA 5 HA ALA 5 11.675 -0.146 -2.391 42 HB1 ALA 5 HB1 ALA 5 12.477 -1.588 -4.296 43 HB2 ALA 5 HB2 ALA 5 11.537 -0.577 -5.395 44 HB3 ALA 5 HB3 ALA 5 10.719 -1.527 -4.154 45 H LYS 6 HN LYS 6 12.275 1.925 -5.140 46 HA LYS 6 HA LYS 6 14.984 2.149 -5.449 47 HB2 LYS 6 HB2 LYS 6 13.093 3.641 -6.372 48 HB3 LYS 6 HB1 LYS 6 13.273 4.579 -4.894 49 HG2 LYS 6 HG2 LYS 6 14.632 5.601 -6.629 50 HG3 LYS 6 HG1 LYS 6 15.696 4.888 -5.419 51 HD2 LYS 6 HD2 LYS 6 16.156 2.989 -6.821 52 HD3 LYS 6 HD1 LYS 6 14.883 3.443 -7.959 53 HE2 LYS 6 HE2 LYS 6 17.188 5.315 -7.382 54 HE3 LYS 6 HE1 LYS 6 17.347 4.029 -8.579 55 HZ1 LYS 6 HZ1 LYS 6 16.024 6.522 -8.795 56 HZ2 LYS 6 HZ2 LYS 6 14.926 5.258 -9.095 57 HZ3 LYS 6 HZ3 LYS 6 16.355 5.381 -10.002 58 H THR 7 HN THR 7 13.282 4.162 -3.041 59 HA THR 7 HA THR 7 15.677 4.864 -1.652 60 HB THR 7 HB THR 7 13.108 4.909 -0.153 61 HG1 THR 7 HG1 THR 7 12.061 5.552 -1.849 62 HG21 THR 7 HG21 THR 7 15.088 7.077 -0.915 63 HG22 THR 7 HG22 THR 7 15.189 6.109 0.554 64 HG23 THR 7 HG23 THR 7 13.822 7.193 0.305 65 H LEU 8 HN LEU 8 14.423 1.892 -1.872 66 HA LEU 8 HA LEU 8 15.374 1.126 0.861 67 HB2 LEU 8 HB2 LEU 8 13.241 -0.133 -0.890 68 HB3 LEU 8 HB1 LEU 8 13.953 -0.964 0.489 69 HG LEU 8 HG LEU 8 12.468 1.686 0.585 70 HD11 LEU 8 HD11 LEU 8 10.867 0.330 1.977 71 HD12 LEU 8 HD12 LEU 8 11.776 -1.111 1.523 72 HD13 LEU 8 HD13 LEU 8 10.940 -0.171 0.288 73 HD21 LEU 8 HD21 LEU 8 14.019 0.102 2.633 74 HD22 LEU 8 HD22 LEU 8 12.662 1.110 3.135 75 HD23 LEU 8 HD23 LEU 8 14.049 1.839 2.327 76 H GLY 9 HN GLY 9 15.210 0.358 -2.567 77 HA2 GLY 9 HA2 GLY 9 17.073 -1.833 -2.524 78 HA3 GLY 9 HA1 GLY 9 16.630 -0.888 -3.939 79 H LEU 10 HN LEU 10 17.358 1.676 -3.018 80 HA LEU 10 HA LEU 10 20.117 1.798 -3.660 81 HB2 LEU 10 HB2 LEU 10 18.101 3.658 -2.547 82 HB3 LEU 10 HB1 LEU 10 19.774 4.040 -2.132 83 HG LEU 10 HG LEU 10 20.412 4.074 -4.473 84 HD11 LEU 10 HD11 LEU 10 18.563 3.792 -6.218 85 HD12 LEU 10 HD12 LEU 10 17.591 3.080 -4.933 86 HD13 LEU 10 HD13 LEU 10 19.101 2.315 -5.422 87 HD21 LEU 10 HD21 LEU 10 18.793 5.861 -5.325 88 HD22 LEU 10 HD22 LEU 10 19.539 6.182 -3.760 89 HD23 LEU 10 HD23 LEU 10 17.874 5.600 -3.842 90 H VAL 11 HN VAL 11 18.557 1.950 -0.442 91 HA VAL 11 HA VAL 11 20.883 2.098 1.134 92 HB VAL 11 HB VAL 11 18.577 0.292 1.877 93 HG11 VAL 11 HG11 VAL 11 20.300 2.253 3.429 94 HG12 VAL 11 HG12 VAL 11 20.459 0.496 3.446 95 HG13 VAL 11 HG13 VAL 11 19.013 1.255 4.112 96 HG21 VAL 11 HG21 VAL 11 17.419 2.183 1.012 97 HG22 VAL 11 HG22 VAL 11 18.610 3.310 1.658 98 HG23 VAL 11 HG23 VAL 11 17.513 2.466 2.749 99 H LEU 12 HN LEU 12 19.280 -0.763 -0.250 100 HA LEU 12 HA LEU 12 21.241 -2.670 0.681 101 HB2 LEU 12 HB2 LEU 12 18.955 -2.637 -1.167 102 HB3 LEU 12 HB1 LEU 12 20.270 -3.673 -1.720 103 HG LEU 12 HG LEU 12 20.306 -4.638 0.660 104 HD11 LEU 12 HD11 LEU 12 18.828 -3.904 2.196 105 HD12 LEU 12 HD12 LEU 12 17.484 -4.072 1.069 106 HD13 LEU 12 HD13 LEU 12 18.438 -2.591 1.086 107 HD21 LEU 12 HD21 LEU 12 19.414 -5.923 -1.200 108 HD22 LEU 12 HD22 LEU 12 17.897 -5.025 -1.142 109 HD23 LEU 12 HD23 LEU 12 18.331 -6.109 0.178 110 H ALA 13 HN ALA 13 20.762 -1.036 -2.465 111 HA ALA 13 HA ALA 13 23.083 -1.957 -3.775 112 HB1 ALA 13 HB1 ALA 13 22.113 0.896 -4.017 113 HB2 ALA 13 HB2 ALA 13 21.186 -0.449 -4.682 114 HB3 ALA 13 HB3 ALA 13 22.820 -0.128 -5.267 115 H VAL 14 HN VAL 14 22.714 0.600 -1.374 116 HA VAL 14 HA VAL 14 25.484 1.495 -1.660 117 HB VAL 14 HB VAL 14 23.419 2.066 0.499 118 HG11 VAL 14 HG11 VAL 14 24.891 4.016 1.000 119 HG12 VAL 14 HG12 VAL 14 26.071 3.394 -0.156 120 HG13 VAL 14 HG13 VAL 14 25.696 2.475 1.305 121 HG21 VAL 14 HG21 VAL 14 22.710 3.863 -0.766 122 HG22 VAL 14 HG22 VAL 14 23.191 2.789 -2.080 123 HG23 VAL 14 HG23 VAL 14 24.277 4.070 -1.544 124 H LEU 15 HN LEU 15 23.641 -0.302 0.842 125 HA LEU 15 HA LEU 15 25.923 -0.848 2.463 126 HB2 LEU 15 HB2 LEU 15 24.145 -1.471 3.708 127 HB3 LEU 15 HB1 LEU 15 23.135 -1.772 2.299 128 HG LEU 15 HG LEU 15 25.319 -3.734 2.808 129 HD11 LEU 15 HD11 LEU 15 22.846 -3.506 4.540 130 HD12 LEU 15 HD12 LEU 15 24.522 -3.419 5.080 131 HD13 LEU 15 HD13 LEU 15 23.872 -4.937 4.462 132 HD21 LEU 15 HD21 LEU 15 23.306 -3.638 1.037 133 HD22 LEU 15 HD22 LEU 15 22.454 -4.438 2.358 134 HD23 LEU 15 HD23 LEU 15 23.908 -5.166 1.678 135 H LEU 16 HN LEU 16 24.479 -2.594 -0.285 136 HA LEU 16 HA LEU 16 26.107 -4.903 -0.237 137 HB2 LEU 16 HB2 LEU 16 24.932 -3.320 -2.528 138 HB3 LEU 16 HB1 LEU 16 25.841 -4.809 -2.791 139 HG LEU 16 HG LEU 16 23.459 -4.629 -0.918 140 HD11 LEU 16 HD11 LEU 16 22.085 -5.517 -2.658 141 HD12 LEU 16 HD12 LEU 16 23.474 -5.803 -3.708 142 HD13 LEU 16 HD13 LEU 16 22.942 -4.153 -3.377 143 HD21 LEU 16 HD21 LEU 16 23.556 -7.184 -1.512 144 HD22 LEU 16 HD22 LEU 16 24.688 -6.539 -0.324 145 HD23 LEU 16 HD23 LEU 16 25.220 -6.830 -1.980 146 H ILE 17 HN ILE 17 27.039 -1.643 -0.695 147 HA ILE 17 HA ILE 17 29.757 -2.582 -1.481 148 HB ILE 17 HB ILE 17 28.432 -1.541 -3.409 149 HG12 ILE 17 HG12 ILE 17 30.918 0.024 -2.686 150 HG13 ILE 17 HG11 ILE 17 30.985 -1.675 -3.161 151 HG21 ILE 17 HG21 ILE 17 27.314 0.240 -2.169 152 HG22 ILE 17 HG22 ILE 17 28.348 0.943 -3.412 153 HG23 ILE 17 HG23 ILE 17 28.870 0.945 -1.728 154 HD11 ILE 17 HD11 ILE 17 29.741 0.544 -4.807 155 HD12 ILE 17 HD12 ILE 17 29.867 -1.150 -5.279 156 HD13 ILE 17 HD13 ILE 17 31.325 -0.173 -5.102 157 H CYS 18 HN CYS 18 27.909 -1.121 0.809 158 HA CYS 18 HA CYS 18 30.258 0.196 2.009 159 HB2 CYS 18 HB2 CYS 18 28.176 1.666 0.679 160 HB3 CYS 18 HB1 CYS 18 28.128 2.029 2.404 161 HG CYS 18 HG CYS 18 30.704 2.385 0.665 162 H TRP 19 HN TRP 19 28.385 -2.100 2.510 163 HA TRP 19 HA TRP 19 26.526 -2.063 4.440 164 HB2 TRP 19 HB2 TRP 19 28.872 -3.624 5.365 165 HB3 TRP 19 HB1 TRP 19 27.219 -4.153 5.065 166 HD1 TRP 19 HD1 TRP 19 26.929 -5.623 3.015 167 HE1 TRP 19 HE1 TRP 19 28.238 -6.039 0.830 168 HE3 TRP 19 HE3 TRP 19 30.634 -2.163 3.540 169 HZ2 TRP 19 HZ2 TRP 19 30.551 -5.015 -0.524 170 HZ3 TRP 19 HZ3 TRP 19 32.367 -1.890 1.790 171 HH2 TRP 19 HH2 TRP 19 32.331 -3.307 -0.238 172 H PHE 20 HN PHE 20 29.952 -1.757 5.434 173 HA PHE 20 HA PHE 20 29.658 0.577 6.942 174 HB2 PHE 20 HB2 PHE 20 28.450 -1.628 8.297 175 HB3 PHE 20 HB1 PHE 20 29.923 -1.210 9.168 176 HD1 PHE 20 HD1 PHE 20 30.206 1.648 8.851 177 HD2 PHE 20 HD2 PHE 20 26.632 -0.671 9.408 178 HE1 PHE 20 HE1 PHE 20 29.069 3.627 9.815 179 HE2 PHE 20 HE2 PHE 20 25.498 1.308 10.372 180 HZ PHE 20 HZ PHE 20 26.714 3.458 10.578 181 HA PRO 21 HA PRO 21 33.748 -1.382 8.199 182 HB2 PRO 21 HB2 PRO 21 34.097 -4.057 8.282 183 HB3 PRO 21 HB1 PRO 21 33.223 -3.184 9.553 184 HG2 PRO 21 HG2 PRO 21 32.182 -4.927 7.410 185 HG3 PRO 21 HG1 PRO 21 31.515 -4.581 9.011 186 HD2 PRO 21 HD2 PRO 21 30.715 -3.413 6.531 187 HD3 PRO 21 HD1 PRO 21 30.161 -2.963 8.155 188 H VAL 22 HN VAL 22 32.749 -3.882 5.852 189 HA VAL 22 HA VAL 22 35.193 -4.271 4.597 190 HB VAL 22 HB VAL 22 32.535 -4.264 3.135 191 HG11 VAL 22 HG11 VAL 22 35.154 -5.750 2.772 192 HG12 VAL 22 HG12 VAL 22 34.406 -4.615 1.646 193 HG13 VAL 22 HG13 VAL 22 33.661 -6.187 1.937 194 HG21 VAL 22 HG21 VAL 22 32.695 -6.783 3.873 195 HG22 VAL 22 HG22 VAL 22 32.041 -5.594 4.998 196 HG23 VAL 22 HG23 VAL 22 33.707 -6.147 5.171 197 H LEU 23 HN LEU 23 33.095 -1.489 4.234 198 HA LEU 23 HA LEU 23 34.255 -0.566 1.759 199 HB2 LEU 23 HB2 LEU 23 33.413 1.689 2.503 200 HB3 LEU 23 HB1 LEU 23 32.184 0.432 2.437 201 HG LEU 23 HG LEU 23 33.115 0.189 5.024 202 HD11 LEU 23 HD11 LEU 23 32.829 3.151 4.562 203 HD12 LEU 23 HD12 LEU 23 34.409 2.373 4.499 204 HD13 LEU 23 HD13 LEU 23 33.456 2.313 5.981 205 HD21 LEU 23 HD21 LEU 23 31.016 1.650 5.526 206 HD22 LEU 23 HD22 LEU 23 30.793 0.147 4.635 207 HD23 LEU 23 HD23 LEU 23 30.814 1.685 3.776 208 H ALA 24 HN ALA 24 34.968 0.138 5.182 209 HA ALA 24 HA ALA 24 37.174 1.885 4.742 210 HB1 ALA 24 HB1 ALA 24 37.947 1.120 6.995 211 HB2 ALA 24 HB2 ALA 24 36.701 -0.127 6.964 212 HB3 ALA 24 HB3 ALA 24 36.245 1.576 6.980 213 H LEU 25 HN LEU 25 37.000 -1.644 5.038 214 HA LEU 25 HA LEU 25 39.814 -2.077 4.527 215 HB2 LEU 25 HB2 LEU 25 37.356 -3.761 4.631 216 HB3 LEU 25 HB1 LEU 25 38.731 -4.404 3.741 217 HG LEU 25 HG LEU 25 40.171 -3.963 5.747 218 HD11 LEU 25 HD11 LEU 25 38.885 -3.649 7.922 219 HD12 LEU 25 HD12 LEU 25 37.486 -3.222 6.939 220 HD13 LEU 25 HD13 LEU 25 38.945 -2.233 6.874 221 HD21 LEU 25 HD21 LEU 25 39.017 -6.178 5.270 222 HD22 LEU 25 HD22 LEU 25 37.778 -5.695 6.425 223 HD23 LEU 25 HD23 LEU 25 39.445 -5.909 6.958 224 H MET 26 HN MET 26 36.919 -2.536 2.462 225 HA MET 26 HA MET 26 38.085 -3.128 0.033 226 HB2 MET 26 HB2 MET 26 35.704 -2.973 0.142 227 HB3 MET 26 HB1 MET 26 35.764 -1.291 0.652 228 HG2 MET 26 HG2 MET 26 37.072 -1.888 -1.945 229 HG3 MET 26 HG1 MET 26 35.319 -2.056 -1.913 230 HE1 MET 26 HE1 MET 26 33.903 1.281 -1.988 231 HE2 MET 26 HE2 MET 26 33.675 -0.220 -1.097 232 HE3 MET 26 HE3 MET 26 34.043 -0.276 -2.820 233 H ALA 27 HN ALA 27 37.712 0.182 1.366 234 HA ALA 27 HA ALA 27 38.924 1.591 -0.767 235 HB1 ALA 27 HB1 ALA 27 39.376 3.353 0.831 236 HB2 ALA 27 HB2 ALA 27 39.266 2.217 2.178 237 HB3 ALA 27 HB3 ALA 27 37.824 2.621 1.246 238 H HIS 28 HN HIS 28 40.317 -0.669 1.385 239 HA HIS 28 HA HIS 28 43.049 0.087 0.416 240 HB2 HIS 28 HB2 HIS 28 42.078 -0.080 3.110 241 HB3 HIS 28 HB1 HIS 28 43.222 -1.398 2.858 242 HD1 HIS 28 HD1 HIS 28 45.680 -0.784 2.775 243 HD2 HIS 28 HD2 HIS 28 43.195 2.559 2.482 244 HE1 HIS 28 HE1 HIS 28 47.195 1.255 2.854 245 HE2 HIS 28 HE2 HIS 28 45.687 3.291 2.662 246 H SER 29 HN SER 29 41.181 -2.546 1.903 247 HA SER 29 HA SER 29 42.682 -4.751 0.972 248 HB2 SER 29 HB2 SER 29 39.666 -4.598 1.209 249 HB3 SER 29 HB1 SER 29 40.665 -6.039 1.351 250 HG SER 29 HG SER 29 40.599 -5.524 3.405 251 H LEU 30 HN LEU 30 40.383 -2.663 -0.675 252 HA LEU 30 HA LEU 30 40.812 -4.235 -3.186 253 HB2 LEU 30 HB2 LEU 30 38.414 -3.561 -2.189 254 HB3 LEU 30 HB1 LEU 30 38.766 -2.057 -3.040 255 HG LEU 30 HG LEU 30 39.181 -4.673 -4.454 256 HD11 LEU 30 HD11 LEU 30 36.523 -3.222 -4.314 257 HD12 LEU 30 HD12 LEU 30 36.884 -4.696 -3.414 258 HD13 LEU 30 HD13 LEU 30 36.875 -4.719 -5.176 259 HD21 LEU 30 HD21 LEU 30 39.384 -3.338 -6.272 260 HD22 LEU 30 HD22 LEU 30 39.516 -2.000 -5.129 261 HD23 LEU 30 HD23 LEU 30 37.953 -2.400 -5.842 262 H ALA 31 HN ALA 31 40.726 -0.973 -1.786 263 HA ALA 31 HA ALA 31 42.003 0.925 -2.312 264 HB1 ALA 31 HB1 ALA 31 43.466 -0.456 -4.516 265 HB2 ALA 31 HB2 ALA 31 43.741 -1.027 -2.869 266 HB3 ALA 31 HB3 ALA 31 44.070 0.654 -3.286 267 H THR 32 HN THR 32 40.805 2.438 -3.350 268 HA THR 32 HA THR 32 39.272 1.888 -5.704 269 HB THR 32 HB THR 32 39.138 4.467 -5.789 270 HG1 THR 32 HG1 THR 32 40.316 5.526 -4.419 271 HG21 THR 32 HG21 THR 32 37.400 3.100 -4.737 272 HG22 THR 32 HG22 THR 32 37.710 4.527 -3.748 273 HG23 THR 32 HG23 THR 32 38.367 2.961 -3.268 274 H THR 33 HN THR 33 39.813 2.062 -7.839 275 HA THR 33 HA THR 33 42.611 2.897 -8.451 276 HB THR 33 HB THR 33 42.165 1.569 -10.590 277 HG1 THR 33 HG1 THR 33 39.839 1.687 -10.228 278 HG21 THR 33 HG21 THR 33 43.500 0.469 -8.980 279 HG22 THR 33 HG22 THR 33 42.188 -0.674 -9.278 280 HG23 THR 33 HG23 THR 33 42.165 0.340 -7.833 Start of MODEL 5 1 H1 ASP 1 HT1 ASP 1 7.201 -3.884 1.262 2 H2 ASP 1 HT2 ASP 1 6.431 -3.307 -0.138 3 H3 ASP 1 HT3 ASP 1 5.740 -3.044 1.392 4 HA ASP 1 HA ASP 1 8.438 -2.042 1.055 5 HB2 ASP 1 HB2 ASP 1 6.061 -0.704 -0.287 6 HB3 ASP 1 HB1 ASP 1 7.689 -0.036 -0.160 7 H VAL 2 HN VAL 2 8.661 -1.350 3.139 8 HA VAL 2 HA VAL 2 6.389 -0.079 4.565 9 HB VAL 2 HB VAL 2 8.113 -1.450 5.820 10 HG11 VAL 2 HG11 VAL 2 9.956 0.862 5.167 11 HG12 VAL 2 HG12 VAL 2 10.058 -0.743 4.441 12 HG13 VAL 2 HG13 VAL 2 10.336 -0.539 6.167 13 HG21 VAL 2 HG21 VAL 2 8.533 0.332 7.589 14 HG22 VAL 2 HG22 VAL 2 6.850 0.146 7.098 15 HG23 VAL 2 HG23 VAL 2 7.804 1.491 6.475 16 H ARG 3 HN ARG 3 9.352 0.518 2.892 17 HA ARG 3 HA ARG 3 8.486 3.320 2.416 18 HB2 ARG 3 HB2 ARG 3 10.843 2.667 3.717 19 HB3 ARG 3 HB1 ARG 3 11.358 2.769 2.031 20 HG2 ARG 3 HG2 ARG 3 10.195 4.980 1.883 21 HG3 ARG 3 HG1 ARG 3 9.891 4.888 3.614 22 HD2 ARG 3 HD2 ARG 3 12.672 4.681 2.439 23 HD3 ARG 3 HD1 ARG 3 11.962 6.216 2.926 24 HE ARG 3 HE ARG 3 11.760 5.222 5.242 25 HH11 ARG 3 HH21 ARG 3 13.984 3.863 2.923 26 HH12 ARG 3 HH22 ARG 3 15.038 3.228 4.143 27 HH21 ARG 3 HH11 ARG 3 13.153 4.408 6.802 28 HH22 ARG 3 HH12 ARG 3 14.576 3.543 6.325 29 H LEU 4 HN LEU 4 8.697 3.878 0.160 30 HA LEU 4 HA LEU 4 8.106 1.907 -1.692 31 HB2 LEU 4 HB2 LEU 4 9.661 4.467 -2.196 32 HB3 LEU 4 HB1 LEU 4 8.921 3.484 -3.456 33 HG LEU 4 HG LEU 4 7.313 5.156 -3.055 34 HD11 LEU 4 HD11 LEU 4 5.424 4.013 -2.129 35 HD12 LEU 4 HD12 LEU 4 6.452 2.998 -1.119 36 HD13 LEU 4 HD13 LEU 4 6.441 2.777 -2.869 37 HD21 LEU 4 HD21 LEU 4 8.611 5.626 -0.726 38 HD22 LEU 4 HD22 LEU 4 7.165 4.828 -0.106 39 HD23 LEU 4 HD23 LEU 4 7.015 6.284 -1.088 40 H ALA 5 HN ALA 5 9.247 0.365 -2.791 41 HA ALA 5 HA ALA 5 11.677 -0.649 -1.975 42 HB1 ALA 5 HB1 ALA 5 10.120 -1.676 -3.684 43 HB2 ALA 5 HB2 ALA 5 11.833 -1.813 -4.086 44 HB3 ALA 5 HB3 ALA 5 10.834 -0.600 -4.886 45 H LYS 6 HN LYS 6 11.186 2.199 -3.887 46 HA LYS 6 HA LYS 6 13.942 2.433 -4.808 47 HB2 LYS 6 HB2 LYS 6 11.579 3.687 -5.491 48 HB3 LYS 6 HB1 LYS 6 12.375 4.920 -4.515 49 HG2 LYS 6 HG2 LYS 6 13.151 5.306 -6.725 50 HG3 LYS 6 HG1 LYS 6 14.475 4.456 -5.929 51 HD2 LYS 6 HD2 LYS 6 13.767 2.343 -6.917 52 HD3 LYS 6 HD1 LYS 6 12.351 3.117 -7.630 53 HE2 LYS 6 HE2 LYS 6 15.120 4.154 -8.233 54 HE3 LYS 6 HE1 LYS 6 14.470 2.779 -9.124 55 HZ1 LYS 6 HZ1 LYS 6 13.847 4.630 -10.366 56 HZ2 LYS 6 HZ2 LYS 6 13.438 5.547 -9.000 57 HZ3 LYS 6 HZ3 LYS 6 12.444 4.263 -9.492 58 H THR 7 HN THR 7 11.985 4.181 -2.373 59 HA THR 7 HA THR 7 14.237 5.443 -1.101 60 HB THR 7 HB THR 7 11.827 4.883 0.527 61 HG1 THR 7 HG1 THR 7 11.229 6.775 -1.289 62 HG21 THR 7 HG21 THR 7 13.201 7.436 -0.359 63 HG22 THR 7 HG22 THR 7 13.552 6.559 1.130 64 HG23 THR 7 HG23 THR 7 11.970 7.304 0.898 65 H LEU 8 HN LEU 8 13.836 2.310 -1.415 66 HA LEU 8 HA LEU 8 15.071 1.706 1.231 67 HB2 LEU 8 HB2 LEU 8 12.696 0.485 -0.011 68 HB3 LEU 8 HB1 LEU 8 13.934 -0.694 0.420 69 HG LEU 8 HG LEU 8 12.870 1.416 2.327 70 HD11 LEU 8 HD11 LEU 8 11.357 -0.114 3.158 71 HD12 LEU 8 HD12 LEU 8 12.282 -1.504 2.596 72 HD13 LEU 8 HD13 LEU 8 11.326 -0.559 1.453 73 HD21 LEU 8 HD21 LEU 8 13.903 -0.418 3.923 74 HD22 LEU 8 HD22 LEU 8 14.953 0.785 3.176 75 HD23 LEU 8 HD23 LEU 8 14.848 -0.839 2.496 76 H GLY 9 HN GLY 9 14.543 0.650 -2.115 77 HA2 GLY 9 HA2 GLY 9 16.732 -1.136 -2.328 78 HA3 GLY 9 HA1 GLY 9 15.978 -0.302 -3.681 79 H LEU 10 HN LEU 10 16.487 2.335 -3.180 80 HA LEU 10 HA LEU 10 19.140 2.678 -4.082 81 HB2 LEU 10 HB2 LEU 10 16.960 4.397 -3.318 82 HB3 LEU 10 HB1 LEU 10 18.450 5.008 -2.594 83 HG LEU 10 HG LEU 10 19.476 4.598 -4.969 84 HD11 LEU 10 HD11 LEU 10 17.952 4.639 -6.799 85 HD12 LEU 10 HD12 LEU 10 16.583 4.995 -5.747 86 HD13 LEU 10 HD13 LEU 10 17.337 3.401 -5.705 87 HD21 LEU 10 HD21 LEU 10 19.147 6.821 -3.944 88 HD22 LEU 10 HD22 LEU 10 17.465 6.817 -4.475 89 HD23 LEU 10 HD23 LEU 10 18.765 6.859 -5.666 90 H VAL 11 HN VAL 11 17.893 3.328 -0.793 91 HA VAL 11 HA VAL 11 20.311 3.814 0.524 92 HB VAL 11 HB VAL 11 18.270 1.999 1.795 93 HG11 VAL 11 HG11 VAL 11 20.307 2.879 3.012 94 HG12 VAL 11 HG12 VAL 11 18.769 3.311 3.757 95 HG13 VAL 11 HG13 VAL 11 19.648 4.504 2.803 96 HG21 VAL 11 HG21 VAL 11 16.772 3.480 0.726 97 HG22 VAL 11 HG22 VAL 11 17.877 4.847 0.872 98 HG23 VAL 11 HG23 VAL 11 17.033 4.241 2.295 99 H LEU 12 HN LEU 12 18.835 0.699 -0.323 100 HA LEU 12 HA LEU 12 20.936 -0.956 0.756 101 HB2 LEU 12 HB2 LEU 12 18.567 -1.286 -0.935 102 HB3 LEU 12 HB1 LEU 12 19.904 -2.309 -1.455 103 HG LEU 12 HG LEU 12 19.523 -2.262 1.466 104 HD11 LEU 12 HD11 LEU 12 17.448 -3.306 1.617 105 HD12 LEU 12 HD12 LEU 12 17.475 -3.838 -0.063 106 HD13 LEU 12 HD13 LEU 12 17.143 -2.149 0.322 107 HD21 LEU 12 HD21 LEU 12 19.602 -4.517 -0.562 108 HD22 LEU 12 HD22 LEU 12 19.853 -4.660 1.178 109 HD23 LEU 12 HD23 LEU 12 21.028 -3.796 0.186 110 H ALA 13 HN ALA 13 20.246 0.122 -2.586 111 HA ALA 13 HA ALA 13 22.642 -0.834 -3.766 112 HB1 ALA 13 HB1 ALA 13 20.573 0.259 -4.892 113 HB2 ALA 13 HB2 ALA 13 22.157 0.582 -5.596 114 HB3 ALA 13 HB3 ALA 13 21.386 1.790 -4.569 115 H VAL 14 HN VAL 14 22.017 2.033 -1.839 116 HA VAL 14 HA VAL 14 24.630 3.228 -2.389 117 HB VAL 14 HB VAL 14 22.610 3.814 -0.196 118 HG11 VAL 14 HG11 VAL 14 24.543 4.830 0.593 119 HG12 VAL 14 HG12 VAL 14 23.924 6.110 -0.449 120 HG13 VAL 14 HG13 VAL 14 25.213 5.052 -1.023 121 HG21 VAL 14 HG21 VAL 14 22.166 4.140 -2.839 122 HG22 VAL 14 HG22 VAL 14 23.036 5.638 -2.512 123 HG23 VAL 14 HG23 VAL 14 21.556 5.268 -1.628 124 H LEU 15 HN LEU 15 23.126 1.551 0.401 125 HA LEU 15 HA LEU 15 25.547 1.473 1.942 126 HB2 LEU 15 HB2 LEU 15 23.913 0.875 3.385 127 HB3 LEU 15 HB1 LEU 15 22.858 0.294 2.100 128 HG LEU 15 HG LEU 15 25.247 -1.384 2.717 129 HD11 LEU 15 HD11 LEU 15 23.708 -2.478 4.536 130 HD12 LEU 15 HD12 LEU 15 22.990 -0.870 4.629 131 HD13 LEU 15 HD13 LEU 15 24.706 -1.092 4.971 132 HD21 LEU 15 HD21 LEU 15 22.450 -2.401 2.570 133 HD22 LEU 15 HD22 LEU 15 23.923 -3.063 1.864 134 HD23 LEU 15 HD23 LEU 15 23.115 -1.697 1.098 135 H LEU 16 HN LEU 16 24.108 -0.767 -0.415 136 HA LEU 16 HA LEU 16 25.909 -2.916 -0.196 137 HB2 LEU 16 HB2 LEU 16 24.369 -1.731 -2.476 138 HB3 LEU 16 HB1 LEU 16 25.564 -2.981 -2.820 139 HG LEU 16 HG LEU 16 23.503 -3.356 -0.644 140 HD11 LEU 16 HD11 LEU 16 22.119 -4.569 -2.299 141 HD12 LEU 16 HD12 LEU 16 23.222 -4.067 -3.580 142 HD13 LEU 16 HD13 LEU 16 22.269 -2.860 -2.715 143 HD21 LEU 16 HD21 LEU 16 25.182 -5.006 -0.504 144 HD22 LEU 16 HD22 LEU 16 25.356 -5.109 -2.256 145 HD23 LEU 16 HD23 LEU 16 23.933 -5.792 -1.469 146 H ILE 17 HN ILE 17 26.626 0.309 -1.031 147 HA ILE 17 HA ILE 17 29.353 -0.572 -1.844 148 HB ILE 17 HB ILE 17 27.944 0.282 -3.790 149 HG12 ILE 17 HG12 ILE 17 29.893 2.135 -4.246 150 HG13 ILE 17 HG11 ILE 17 30.636 1.193 -2.955 151 HG21 ILE 17 HG21 ILE 17 27.836 2.808 -3.909 152 HG22 ILE 17 HG22 ILE 17 28.199 2.833 -2.186 153 HG23 ILE 17 HG23 ILE 17 26.724 2.061 -2.765 154 HD11 ILE 17 HD11 ILE 17 31.219 0.228 -5.128 155 HD12 ILE 17 HD12 ILE 17 29.510 0.088 -5.542 156 HD13 ILE 17 HD13 ILE 17 30.182 -0.886 -4.235 157 H CYS 18 HN CYS 18 27.810 0.573 0.636 158 HA CYS 18 HA CYS 18 30.058 2.224 1.530 159 HB2 CYS 18 HB2 CYS 18 27.438 3.426 0.773 160 HB3 CYS 18 HB1 CYS 18 28.171 4.005 2.267 161 HG CYS 18 HG CYS 18 29.611 5.394 0.809 162 H TRP 19 HN TRP 19 27.908 -0.085 2.101 163 HA TRP 19 HA TRP 19 26.472 -0.034 4.324 164 HB2 TRP 19 HB2 TRP 19 28.460 -2.062 4.887 165 HB3 TRP 19 HB1 TRP 19 26.804 -2.255 4.333 166 HD1 TRP 19 HD1 TRP 19 26.769 -3.629 2.206 167 HE1 TRP 19 HE1 TRP 19 28.172 -3.732 0.041 168 HE3 TRP 19 HE3 TRP 19 30.361 -0.164 3.300 169 HZ2 TRP 19 HZ2 TRP 19 30.491 -2.508 -1.077 170 HZ3 TRP 19 HZ3 TRP 19 32.143 0.352 1.658 171 HH2 TRP 19 HH2 TRP 19 32.214 -0.815 -0.525 172 H PHE 20 HN PHE 20 29.636 -1.087 5.418 173 HA PHE 20 HA PHE 20 29.979 1.306 7.094 174 HB2 PHE 20 HB2 PHE 20 29.960 -1.255 8.637 175 HB3 PHE 20 HB1 PHE 20 29.605 0.378 9.175 176 HD1 PHE 20 HD1 PHE 20 27.405 1.452 8.516 177 HD2 PHE 20 HD2 PHE 20 28.214 -2.727 7.917 178 HE1 PHE 20 HE1 PHE 20 24.977 1.015 8.296 179 HE2 PHE 20 HE2 PHE 20 25.787 -3.159 7.688 180 HZ PHE 20 HZ PHE 20 24.165 -1.290 7.879 181 HA PRO 21 HA PRO 21 33.825 -1.363 7.535 182 HB2 PRO 21 HB2 PRO 21 33.774 -4.019 6.954 183 HB3 PRO 21 HB1 PRO 21 33.130 -3.356 8.467 184 HG2 PRO 21 HG2 PRO 21 31.704 -4.494 6.179 185 HG3 PRO 21 HG1 PRO 21 31.147 -4.221 7.835 186 HD2 PRO 21 HD2 PRO 21 30.657 -2.582 5.484 187 HD3 PRO 21 HD1 PRO 21 29.992 -2.398 7.120 188 H VAL 22 HN VAL 22 32.334 -2.931 4.690 189 HA VAL 22 HA VAL 22 34.653 -3.422 3.234 190 HB VAL 22 HB VAL 22 32.005 -2.599 2.007 191 HG11 VAL 22 HG11 VAL 22 34.254 -4.421 1.093 192 HG12 VAL 22 HG12 VAL 22 33.828 -2.859 0.394 193 HG13 VAL 22 HG13 VAL 22 32.718 -4.221 0.248 194 HG21 VAL 22 HG21 VAL 22 31.610 -5.134 2.096 195 HG22 VAL 22 HG22 VAL 22 31.463 -4.268 3.624 196 HG23 VAL 22 HG23 VAL 22 32.924 -5.190 3.271 197 H LEU 23 HN LEU 23 33.086 -0.342 3.743 198 HA LEU 23 HA LEU 23 34.371 1.021 1.538 199 HB2 LEU 23 HB2 LEU 23 33.997 3.095 2.958 200 HB3 LEU 23 HB1 LEU 23 32.545 2.183 2.566 201 HG LEU 23 HG LEU 23 33.330 0.990 4.921 202 HD11 LEU 23 HD11 LEU 23 33.571 3.868 5.630 203 HD12 LEU 23 HD12 LEU 23 34.986 3.129 4.885 204 HD13 LEU 23 HD13 LEU 23 34.325 2.458 6.375 205 HD21 LEU 23 HD21 LEU 23 31.468 3.304 4.356 206 HD22 LEU 23 HD22 LEU 23 31.559 2.543 5.944 207 HD23 LEU 23 HD23 LEU 23 31.059 1.599 4.540 208 H ALA 24 HN ALA 24 35.162 0.863 5.024 209 HA ALA 24 HA ALA 24 37.780 2.006 4.791 210 HB1 ALA 24 HB1 ALA 24 36.888 1.811 7.001 211 HB2 ALA 24 HB2 ALA 24 38.205 0.640 6.931 212 HB3 ALA 24 HB3 ALA 24 36.533 0.096 6.785 213 H LEU 25 HN LEU 25 36.600 -1.354 4.713 214 HA LEU 25 HA LEU 25 39.135 -2.599 4.287 215 HB2 LEU 25 HB2 LEU 25 36.730 -3.632 4.689 216 HB3 LEU 25 HB1 LEU 25 36.661 -3.628 2.927 217 HG LEU 25 HG LEU 25 39.228 -4.641 3.794 218 HD11 LEU 25 HD11 LEU 25 38.701 -6.398 5.198 219 HD12 LEU 25 HD12 LEU 25 37.031 -6.486 4.640 220 HD13 LEU 25 HD13 LEU 25 37.521 -5.217 5.762 221 HD21 LEU 25 HD21 LEU 25 37.769 -4.941 1.630 222 HD22 LEU 25 HD22 LEU 25 37.033 -6.266 2.530 223 HD23 LEU 25 HD23 LEU 25 38.763 -6.285 2.189 224 H MET 26 HN MET 26 36.669 -1.495 1.943 225 HA MET 26 HA MET 26 38.065 -2.082 -0.434 226 HB2 MET 26 HB2 MET 26 35.807 -1.336 -0.629 227 HB3 MET 26 HB1 MET 26 36.127 0.134 0.290 228 HG2 MET 26 HG2 MET 26 37.398 1.085 -1.503 229 HG3 MET 26 HG1 MET 26 37.465 -0.453 -2.363 230 HE1 MET 26 HE1 MET 26 36.294 2.746 -2.952 231 HE2 MET 26 HE2 MET 26 35.519 2.644 -1.373 232 HE3 MET 26 HE3 MET 26 34.534 2.841 -2.820 233 H ALA 27 HN ALA 27 38.161 0.907 1.527 234 HA ALA 27 HA ALA 27 40.067 2.307 -0.048 235 HB1 ALA 27 HB1 ALA 27 38.765 3.296 1.853 236 HB2 ALA 27 HB2 ALA 27 40.489 3.657 1.936 237 HB3 ALA 27 HB3 ALA 27 39.799 2.409 2.974 238 H HIS 28 HN HIS 28 40.450 -0.448 1.976 239 HA HIS 28 HA HIS 28 43.423 -0.116 1.971 240 HB2 HIS 28 HB2 HIS 28 42.107 -0.587 4.151 241 HB3 HIS 28 HB1 HIS 28 41.862 -2.208 3.505 242 HD1 HIS 28 HD1 HIS 28 44.798 -2.198 2.082 243 HD2 HIS 28 HD2 HIS 28 43.952 -1.521 6.123 244 HE1 HIS 28 HE1 HIS 28 46.914 -2.746 3.377 245 HE2 HIS 28 HE2 HIS 28 46.405 -2.345 5.831 246 H SER 29 HN SER 29 40.933 -2.637 1.565 247 HA SER 29 HA SER 29 42.575 -4.569 0.296 248 HB2 SER 29 HB2 SER 29 39.930 -4.421 1.035 249 HB3 SER 29 HB1 SER 29 39.799 -4.376 -0.717 250 HG SER 29 HG SER 29 39.879 -6.497 -0.271 251 H LEU 30 HN LEU 30 40.691 -1.869 -1.038 252 HA LEU 30 HA LEU 30 41.999 -2.362 -3.681 253 HB2 LEU 30 HB2 LEU 30 39.319 -1.330 -2.856 254 HB3 LEU 30 HB1 LEU 30 40.047 -0.619 -4.293 255 HG LEU 30 HG LEU 30 40.417 -2.938 -5.187 256 HD11 LEU 30 HD11 LEU 30 40.408 -4.260 -3.184 257 HD12 LEU 30 HD12 LEU 30 38.974 -4.727 -4.094 258 HD13 LEU 30 HD13 LEU 30 38.827 -3.647 -2.708 259 HD21 LEU 30 HD21 LEU 30 38.487 -1.661 -5.946 260 HD22 LEU 30 HD22 LEU 30 37.571 -2.124 -4.512 261 HD23 LEU 30 HD23 LEU 30 37.999 -3.341 -5.714 262 H ALA 31 HN ALA 31 43.498 -1.109 -1.678 263 HA ALA 31 HA ALA 31 43.433 1.666 -1.442 264 HB1 ALA 31 HB1 ALA 31 45.198 -0.025 -0.559 265 HB2 ALA 31 HB2 ALA 31 45.758 1.589 -0.996 266 HB3 ALA 31 HB3 ALA 31 46.011 0.238 -2.101 267 H THR 32 HN THR 32 43.274 3.216 -2.987 268 HA THR 32 HA THR 32 43.358 2.600 -5.752 269 HB THR 32 HB THR 32 43.591 5.283 -5.803 270 HG1 THR 32 HG1 THR 32 44.062 5.290 -3.529 271 HG21 THR 32 HG21 THR 32 41.040 5.211 -5.133 272 HG22 THR 32 HG22 THR 32 41.299 3.466 -5.129 273 HG23 THR 32 HG23 THR 32 41.593 4.399 -6.597 274 H THR 33 HN THR 33 45.132 2.082 -6.867 275 HA THR 33 HA THR 33 47.376 3.948 -6.941 276 HB THR 33 HB THR 33 48.342 2.652 -5.208 277 HG1 THR 33 HG1 THR 33 49.125 2.113 -7.778 278 HG21 THR 33 HG21 THR 33 46.907 0.856 -4.855 279 HG22 THR 33 HG22 THR 33 48.322 0.048 -5.524 280 HG23 THR 33 HG23 THR 33 46.928 0.375 -6.552 Start of MODEL 6 1 H1 ASP 1 HT1 ASP 1 4.809 4.285 2.249 2 H2 ASP 1 HT2 ASP 1 4.119 2.917 1.516 3 H3 ASP 1 HT3 ASP 1 5.116 3.955 0.614 4 HA ASP 1 HA ASP 1 5.893 1.681 1.953 5 HB2 ASP 1 HB2 ASP 1 7.726 3.935 1.118 6 HB3 ASP 1 HB1 ASP 1 8.054 2.204 1.086 7 H VAL 2 HN VAL 2 7.214 1.329 3.795 8 HA VAL 2 HA VAL 2 7.095 3.167 6.014 9 HB VAL 2 HB VAL 2 8.943 1.791 6.957 10 HG11 VAL 2 HG11 VAL 2 6.915 0.034 5.547 11 HG12 VAL 2 HG12 VAL 2 6.554 0.987 6.985 12 HG13 VAL 2 HG13 VAL 2 7.748 -0.305 7.063 13 HG21 VAL 2 HG21 VAL 2 8.947 0.554 4.180 14 HG22 VAL 2 HG22 VAL 2 9.747 -0.165 5.576 15 HG23 VAL 2 HG23 VAL 2 10.282 1.399 4.965 16 H ARG 3 HN ARG 3 9.333 2.541 3.410 17 HA ARG 3 HA ARG 3 10.277 5.314 3.514 18 HB2 ARG 3 HB2 ARG 3 12.164 2.938 3.711 19 HB3 ARG 3 HB1 ARG 3 12.681 4.563 3.255 20 HG2 ARG 3 HG2 ARG 3 11.520 5.319 5.450 21 HG3 ARG 3 HG1 ARG 3 11.571 3.612 5.895 22 HD2 ARG 3 HD2 ARG 3 14.141 4.132 4.939 23 HD3 ARG 3 HD1 ARG 3 13.727 5.581 5.859 24 HE ARG 3 HE ARG 3 13.006 3.262 7.384 25 HH11 ARG 3 HH21 ARG 3 15.720 5.030 6.181 26 HH12 ARG 3 HH22 ARG 3 16.761 4.586 7.490 27 HH21 ARG 3 HH11 ARG 3 14.350 2.683 9.108 28 HH22 ARG 3 HH12 ARG 3 15.988 3.249 9.141 29 H LEU 4 HN LEU 4 9.944 5.928 1.430 30 HA LEU 4 HA LEU 4 8.959 4.439 -0.598 31 HB2 LEU 4 HB2 LEU 4 10.806 6.806 -0.715 32 HB3 LEU 4 HB1 LEU 4 10.246 6.044 -2.205 33 HG LEU 4 HG LEU 4 8.013 6.345 -0.413 34 HD11 LEU 4 HD11 LEU 4 9.401 8.177 0.567 35 HD12 LEU 4 HD12 LEU 4 7.937 8.769 -0.210 36 HD13 LEU 4 HD13 LEU 4 9.490 8.923 -1.030 37 HD21 LEU 4 HD21 LEU 4 8.099 6.189 -2.958 38 HD22 LEU 4 HD22 LEU 4 8.607 7.878 -2.956 39 HD23 LEU 4 HD23 LEU 4 7.027 7.429 -2.307 40 H ALA 5 HN ALA 5 9.589 2.776 -1.837 41 HA ALA 5 HA ALA 5 11.759 1.167 -1.483 42 HB1 ALA 5 HB1 ALA 5 9.964 0.590 -3.042 43 HB2 ALA 5 HB2 ALA 5 11.525 0.422 -3.844 44 HB3 ALA 5 HB3 ALA 5 10.513 1.831 -4.170 45 H LYS 6 HN LYS 6 11.816 4.213 -3.214 46 HA LYS 6 HA LYS 6 14.375 3.846 -4.469 47 HB2 LYS 6 HB2 LYS 6 12.440 5.992 -4.176 48 HB3 LYS 6 HB1 LYS 6 14.076 6.602 -3.923 49 HG2 LYS 6 HG2 LYS 6 13.250 4.896 -6.294 50 HG3 LYS 6 HG1 LYS 6 13.343 6.657 -6.326 51 HD2 LYS 6 HD2 LYS 6 15.616 6.670 -6.387 52 HD3 LYS 6 HD1 LYS 6 15.756 5.320 -5.256 53 HE2 LYS 6 HE2 LYS 6 16.548 4.457 -7.340 54 HE3 LYS 6 HE1 LYS 6 14.907 3.828 -7.184 55 HZ1 LYS 6 HZ1 LYS 6 15.914 5.966 -8.924 56 HZ2 LYS 6 HZ2 LYS 6 14.294 6.008 -8.417 57 HZ3 LYS 6 HZ3 LYS 6 14.880 4.676 -9.293 58 H THR 7 HN THR 7 13.387 5.359 -1.389 59 HA THR 7 HA THR 7 15.993 6.109 -0.503 60 HB THR 7 HB THR 7 14.997 5.930 1.796 61 HG1 THR 7 HG1 THR 7 12.946 4.698 0.277 62 HG21 THR 7 HG21 THR 7 12.799 7.171 0.276 63 HG22 THR 7 HG22 THR 7 14.410 7.708 -0.197 64 HG23 THR 7 HG23 THR 7 13.880 7.882 1.476 65 H LEU 8 HN LEU 8 14.091 3.237 0.393 66 HA LEU 8 HA LEU 8 16.172 1.701 1.535 67 HB2 LEU 8 HB2 LEU 8 13.658 0.998 0.018 68 HB3 LEU 8 HB1 LEU 8 14.745 -0.259 0.590 69 HG LEU 8 HG LEU 8 13.460 1.874 2.323 70 HD11 LEU 8 HD11 LEU 8 11.874 0.150 1.506 71 HD12 LEU 8 HD12 LEU 8 12.137 0.040 3.247 72 HD13 LEU 8 HD13 LEU 8 12.925 -1.107 2.164 73 HD21 LEU 8 HD21 LEU 8 14.332 0.099 4.089 74 HD22 LEU 8 HD22 LEU 8 15.399 1.363 3.485 75 HD23 LEU 8 HD23 LEU 8 15.499 -0.268 2.820 76 H GLY 9 HN GLY 9 15.057 1.839 -1.857 77 HA2 GLY 9 HA2 GLY 9 16.952 0.116 -3.030 78 HA3 GLY 9 HA1 GLY 9 16.247 1.506 -3.847 79 H LEU 10 HN LEU 10 17.226 3.541 -2.126 80 HA LEU 10 HA LEU 10 19.872 3.914 -3.195 81 HB2 LEU 10 HB2 LEU 10 17.981 5.471 -1.695 82 HB3 LEU 10 HB1 LEU 10 19.534 5.530 -0.861 83 HG LEU 10 HG LEU 10 20.564 6.006 -3.175 84 HD11 LEU 10 HD11 LEU 10 17.719 6.834 -3.795 85 HD12 LEU 10 HD12 LEU 10 18.432 5.330 -4.379 86 HD13 LEU 10 HD13 LEU 10 19.113 6.880 -4.874 87 HD21 LEU 10 HD21 LEU 10 20.362 7.722 -1.435 88 HD22 LEU 10 HD22 LEU 10 18.682 8.013 -1.891 89 HD23 LEU 10 HD23 LEU 10 19.983 8.418 -3.010 90 H VAL 11 HN VAL 11 18.688 3.121 0.083 91 HA VAL 11 HA VAL 11 21.214 2.759 1.326 92 HB VAL 11 HB VAL 11 18.782 0.994 1.771 93 HG11 VAL 11 HG11 VAL 11 20.871 0.316 2.920 94 HG12 VAL 11 HG12 VAL 11 19.660 0.878 4.074 95 HG13 VAL 11 HG13 VAL 11 21.002 1.930 3.619 96 HG21 VAL 11 HG21 VAL 11 19.350 3.846 2.571 97 HG22 VAL 11 HG22 VAL 11 18.378 2.813 3.620 98 HG23 VAL 11 HG23 VAL 11 17.850 3.140 1.971 99 H LEU 12 HN LEU 12 19.283 0.569 -0.696 100 HA LEU 12 HA LEU 12 21.116 -1.652 -0.597 101 HB2 LEU 12 HB2 LEU 12 19.188 -0.802 -2.788 102 HB3 LEU 12 HB1 LEU 12 19.998 -2.362 -2.711 103 HG LEU 12 HG LEU 12 18.068 -1.255 -0.650 104 HD11 LEU 12 HD11 LEU 12 16.565 -2.998 -1.409 105 HD12 LEU 12 HD12 LEU 12 17.787 -3.631 -2.512 106 HD13 LEU 12 HD13 LEU 12 17.064 -2.051 -2.809 107 HD21 LEU 12 HD21 LEU 12 18.276 -3.717 0.163 108 HD22 LEU 12 HD22 LEU 12 19.564 -2.591 0.583 109 HD23 LEU 12 HD23 LEU 12 19.788 -3.732 -0.745 110 H ALA 13 HN ALA 13 20.690 0.991 -2.970 111 HA ALA 13 HA ALA 13 22.950 0.362 -4.584 112 HB1 ALA 13 HB1 ALA 13 22.384 2.260 -5.684 113 HB2 ALA 13 HB2 ALA 13 22.525 3.238 -4.223 114 HB3 ALA 13 HB3 ALA 13 21.031 2.366 -4.558 115 H VAL 14 HN VAL 14 22.664 2.333 -1.645 116 HA VAL 14 HA VAL 14 25.428 3.160 -1.658 117 HB VAL 14 HB VAL 14 23.531 2.970 0.702 118 HG11 VAL 14 HG11 VAL 14 24.960 4.831 1.569 119 HG12 VAL 14 HG12 VAL 14 26.035 4.605 0.190 120 HG13 VAL 14 HG13 VAL 14 25.843 3.316 1.379 121 HG21 VAL 14 HG21 VAL 14 23.923 5.614 -0.462 122 HG22 VAL 14 HG22 VAL 14 22.420 4.774 -0.083 123 HG23 VAL 14 HG23 VAL 14 23.219 4.495 -1.629 124 H LEU 15 HN LEU 15 23.678 0.599 0.165 125 HA LEU 15 HA LEU 15 26.068 -0.369 1.433 126 HB2 LEU 15 HB2 LEU 15 24.743 -2.028 2.338 127 HB3 LEU 15 HB1 LEU 15 23.484 -0.888 1.880 128 HG LEU 15 HG LEU 15 23.488 -2.191 -0.394 129 HD11 LEU 15 HD11 LEU 15 25.530 -3.575 0.850 130 HD12 LEU 15 HD12 LEU 15 24.585 -4.176 -0.511 131 HD13 LEU 15 HD13 LEU 15 24.138 -4.616 1.136 132 HD21 LEU 15 HD21 LEU 15 21.763 -3.651 0.461 133 HD22 LEU 15 HD22 LEU 15 21.677 -2.138 1.366 134 HD23 LEU 15 HD23 LEU 15 22.426 -3.560 2.093 135 H LEU 16 HN LEU 16 24.516 -1.015 -1.663 136 HA LEU 16 HA LEU 16 25.986 -3.255 -2.547 137 HB2 LEU 16 HB2 LEU 16 24.794 -0.870 -3.900 138 HB3 LEU 16 HB1 LEU 16 25.910 -1.867 -4.830 139 HG LEU 16 HG LEU 16 23.594 -3.050 -3.286 140 HD11 LEU 16 HD11 LEU 16 23.635 -1.639 -5.897 141 HD12 LEU 16 HD12 LEU 16 22.297 -1.913 -4.781 142 HD13 LEU 16 HD13 LEU 16 22.803 -3.194 -5.882 143 HD21 LEU 16 HD21 LEU 16 24.087 -4.676 -5.409 144 HD22 LEU 16 HD22 LEU 16 24.865 -4.873 -3.839 145 HD23 LEU 16 HD23 LEU 16 25.703 -4.024 -5.137 146 H ILE 17 HN ILE 17 27.082 -0.062 -1.797 147 HA ILE 17 HA ILE 17 29.786 -0.806 -2.828 148 HB ILE 17 HB ILE 17 28.564 1.042 -4.127 149 HG12 ILE 17 HG12 ILE 17 30.732 2.614 -3.707 150 HG13 ILE 17 HG11 ILE 17 31.299 1.118 -2.965 151 HG21 ILE 17 HG21 ILE 17 28.709 3.301 -3.054 152 HG22 ILE 17 HG22 ILE 17 29.094 2.507 -1.530 153 HG23 ILE 17 HG23 ILE 17 27.532 2.232 -2.298 154 HD11 ILE 17 HD11 ILE 17 30.391 -0.010 -5.143 155 HD12 ILE 17 HD12 ILE 17 31.933 0.846 -5.211 156 HD13 ILE 17 HD13 ILE 17 30.468 1.620 -5.813 157 H CYS 18 HN CYS 18 28.116 -0.660 -0.115 158 HA CYS 18 HA CYS 18 30.464 0.085 1.503 159 HB2 CYS 18 HB2 CYS 18 28.065 1.789 1.238 160 HB3 CYS 18 HB1 CYS 18 28.601 1.502 2.893 161 HG CYS 18 HG CYS 18 30.584 2.598 0.735 162 H TRP 19 HN TRP 19 28.238 -2.057 0.873 163 HA TRP 19 HA TRP 19 26.587 -2.995 2.682 164 HB2 TRP 19 HB2 TRP 19 28.803 -4.927 2.598 165 HB3 TRP 19 HB1 TRP 19 27.148 -5.085 2.012 166 HD1 TRP 19 HD1 TRP 19 26.887 -5.136 -0.502 167 HE1 TRP 19 HE1 TRP 19 28.304 -4.380 -2.526 168 HE3 TRP 19 HE3 TRP 19 30.763 -2.865 1.929 169 HZ2 TRP 19 HZ2 TRP 19 30.749 -2.981 -3.037 170 HZ3 TRP 19 HZ3 TRP 19 32.603 -1.809 0.651 171 HH2 TRP 19 HH2 TRP 19 32.597 -1.860 -1.822 172 H PHE 20 HN PHE 20 29.996 -3.653 3.551 173 HA PHE 20 HA PHE 20 29.988 -2.269 5.998 174 HB2 PHE 20 HB2 PHE 20 28.591 -4.837 6.119 175 HB3 PHE 20 HB1 PHE 20 29.926 -4.750 7.266 176 HD1 PHE 20 HD2 PHE 20 30.041 -2.028 8.150 177 HD2 PHE 20 HD1 PHE 20 26.578 -4.377 7.183 178 HE1 PHE 20 HE2 PHE 20 28.654 -0.588 9.617 179 HE2 PHE 20 HE1 PHE 20 25.193 -2.939 8.645 180 HZ PHE 20 HZ PHE 20 26.228 -1.043 9.864 181 HA PRO 21 HA PRO 21 33.668 -5.201 6.160 182 HB2 PRO 21 HB2 PRO 21 33.706 -7.529 4.779 183 HB3 PRO 21 HB1 PRO 21 32.890 -7.365 6.342 184 HG2 PRO 21 HG2 PRO 21 31.740 -7.500 3.617 185 HG3 PRO 21 HG1 PRO 21 31.084 -8.071 5.159 186 HD2 PRO 21 HD2 PRO 21 30.354 -5.685 3.857 187 HD3 PRO 21 HD1 PRO 21 30.002 -6.103 5.546 188 H VAL 22 HN VAL 22 32.478 -5.754 2.834 189 HA VAL 22 HA VAL 22 34.945 -5.828 1.556 190 HB VAL 22 HB VAL 22 32.469 -4.576 0.346 191 HG11 VAL 22 HG11 VAL 22 33.458 -5.935 -1.653 192 HG12 VAL 22 HG12 VAL 22 34.950 -5.919 -0.714 193 HG13 VAL 22 HG13 VAL 22 34.212 -4.400 -1.221 194 HG21 VAL 22 HG21 VAL 22 31.601 -6.566 1.212 195 HG22 VAL 22 HG22 VAL 22 33.135 -7.421 1.051 196 HG23 VAL 22 HG23 VAL 22 32.158 -7.084 -0.378 197 H LEU 23 HN LEU 23 33.286 -2.981 2.764 198 HA LEU 23 HA LEU 23 34.788 -1.094 1.172 199 HB2 LEU 23 HB2 LEU 23 34.147 0.544 2.992 200 HB3 LEU 23 HB1 LEU 23 32.797 -0.267 2.211 201 HG LEU 23 HG LEU 23 33.413 -1.983 4.300 202 HD11 LEU 23 HD11 LEU 23 34.896 0.078 5.037 203 HD12 LEU 23 HD12 LEU 23 33.925 -0.783 6.230 204 HD13 LEU 23 HD13 LEU 23 33.347 0.741 5.556 205 HD21 LEU 23 HD21 LEU 23 31.405 0.252 3.981 206 HD22 LEU 23 HD22 LEU 23 31.381 -0.813 5.385 207 HD23 LEU 23 HD23 LEU 23 31.152 -1.480 3.770 208 H ALA 24 HN ALA 24 35.176 -2.164 4.572 209 HA ALA 24 HA ALA 24 37.665 -0.878 5.055 210 HB1 ALA 24 HB1 ALA 24 36.025 -2.565 6.513 211 HB2 ALA 24 HB2 ALA 24 37.620 -2.014 7.026 212 HB3 ALA 24 HB3 ALA 24 37.444 -3.573 6.221 213 H LEU 25 HN LEU 25 36.863 -3.996 3.593 214 HA LEU 25 HA LEU 25 39.613 -4.793 3.150 215 HB2 LEU 25 HB2 LEU 25 36.919 -5.731 2.294 216 HB3 LEU 25 HB1 LEU 25 38.258 -6.134 1.218 217 HG LEU 25 HG LEU 25 39.498 -7.051 3.206 218 HD11 LEU 25 HD11 LEU 25 37.976 -7.616 5.183 219 HD12 LEU 25 HD12 LEU 25 36.850 -6.424 4.532 220 HD13 LEU 25 HD13 LEU 25 38.466 -5.928 5.040 221 HD21 LEU 25 HD21 LEU 25 38.040 -9.094 3.413 222 HD22 LEU 25 HD22 LEU 25 38.329 -8.592 1.748 223 HD23 LEU 25 HD23 LEU 25 36.788 -8.229 2.523 224 H MET 26 HN MET 26 37.112 -3.683 0.836 225 HA MET 26 HA MET 26 38.619 -3.242 -1.426 226 HB2 MET 26 HB2 MET 26 36.273 -2.750 -1.462 227 HB3 MET 26 HB1 MET 26 36.443 -1.515 -0.216 228 HG2 MET 26 HG2 MET 26 38.192 -0.928 -2.449 229 HG3 MET 26 HG1 MET 26 36.536 -1.136 -3.012 230 HE1 MET 26 HE1 MET 26 34.513 0.398 -0.646 231 HE2 MET 26 HE2 MET 26 34.676 -0.260 -2.270 232 HE3 MET 26 HE3 MET 26 34.523 1.482 -2.041 233 H ALA 27 HN ALA 27 38.359 -0.955 1.318 234 HA ALA 27 HA ALA 27 40.001 1.099 0.329 235 HB1 ALA 27 HB1 ALA 27 38.785 1.156 2.514 236 HB2 ALA 27 HB2 ALA 27 40.465 1.677 2.651 237 HB3 ALA 27 HB3 ALA 27 39.998 0.060 3.178 238 H HIS 28 HN HIS 28 40.894 -2.101 1.372 239 HA HIS 28 HA HIS 28 43.776 -1.400 0.942 240 HB2 HIS 28 HB2 HIS 28 43.714 -2.015 3.201 241 HB3 HIS 28 HB1 HIS 28 42.427 -3.192 2.946 242 HD1 HIS 28 HD1 HIS 28 46.099 -2.713 1.993 243 HD2 HIS 28 HD2 HIS 28 43.352 -5.779 2.700 244 HE1 HIS 28 HE1 HIS 28 47.389 -4.889 1.824 245 HE2 HIS 28 HE2 HIS 28 45.733 -6.764 2.259 246 H SER 29 HN SER 29 41.415 -4.081 0.804 247 HA SER 29 HA SER 29 42.862 -5.846 -0.859 248 HB2 SER 29 HB2 SER 29 39.880 -5.340 -0.994 249 HB3 SER 29 HB1 SER 29 40.723 -6.831 -1.400 250 HG SER 29 HG SER 29 41.168 -7.171 0.713 251 H LEU 30 HN LEU 30 41.172 -2.872 -1.636 252 HA LEU 30 HA LEU 30 42.000 -3.230 -4.495 253 HB2 LEU 30 HB2 LEU 30 39.520 -2.947 -4.127 254 HB3 LEU 30 HB1 LEU 30 39.857 -1.367 -3.421 255 HG LEU 30 HG LEU 30 41.205 -1.005 -5.675 256 HD11 LEU 30 HD11 LEU 30 39.087 -3.028 -6.473 257 HD12 LEU 30 HD12 LEU 30 40.826 -3.321 -6.481 258 HD13 LEU 30 HD13 LEU 30 40.128 -2.125 -7.572 259 HD21 LEU 30 HD21 LEU 30 39.325 0.376 -4.992 260 HD22 LEU 30 HD22 LEU 30 38.185 -0.900 -5.421 261 HD23 LEU 30 HD23 LEU 30 39.107 -0.081 -6.680 262 H ALA 31 HN ALA 31 41.464 -0.774 -1.970 263 HA ALA 31 HA ALA 31 42.634 1.200 -1.492 264 HB1 ALA 31 HB1 ALA 31 44.972 0.872 -1.182 265 HB2 ALA 31 HB2 ALA 31 45.049 -0.347 -2.450 266 HB3 ALA 31 HB3 ALA 31 44.244 -0.710 -0.926 267 H THR 32 HN THR 32 41.820 2.569 -3.160 268 HA THR 32 HA THR 32 43.746 2.962 -5.419 269 HB THR 32 HB THR 32 40.857 3.852 -5.498 270 HG1 THR 32 HG1 THR 32 41.753 1.344 -5.464 271 HG21 THR 32 HG21 THR 32 42.531 2.992 -7.834 272 HG22 THR 32 HG22 THR 32 42.818 4.576 -7.114 273 HG23 THR 32 HG23 THR 32 41.228 4.181 -7.765 274 H THR 33 HN THR 33 44.533 5.035 -5.641 275 HA THR 33 HA THR 33 44.964 7.282 -5.130 276 HB THR 33 HB THR 33 42.815 7.723 -3.188 277 HG1 THR 33 HG1 THR 33 41.620 6.288 -4.294 278 HG21 THR 33 HG21 THR 33 42.506 9.697 -4.422 279 HG22 THR 33 HG22 THR 33 43.100 8.969 -5.914 280 HG23 THR 33 HG23 THR 33 44.228 9.368 -4.618 Start of MODEL 7 1 H1 ASP 1 HT1 ASP 1 5.736 1.841 2.596 2 H2 ASP 1 HT2 ASP 1 6.152 0.935 1.221 3 H3 ASP 1 HT3 ASP 1 6.159 2.630 1.157 4 HA ASP 1 HA ASP 1 7.985 0.935 2.771 5 HB2 ASP 1 HB2 ASP 1 9.014 2.842 0.755 6 HB3 ASP 1 HB1 ASP 1 9.561 1.213 1.140 7 H VAL 2 HN VAL 2 8.836 2.017 4.513 8 HA VAL 2 HA VAL 2 8.091 4.615 5.336 9 HB VAL 2 HB VAL 2 10.215 4.545 6.712 10 HG11 VAL 2 HG11 VAL 2 8.057 3.467 7.423 11 HG12 VAL 2 HG12 VAL 2 9.488 2.684 8.092 12 HG13 VAL 2 HG13 VAL 2 8.640 1.952 6.730 13 HG21 VAL 2 HG21 VAL 2 11.767 3.379 5.336 14 HG22 VAL 2 HG22 VAL 2 10.630 2.070 5.018 15 HG23 VAL 2 HG23 VAL 2 11.369 2.227 6.608 16 H ARG 3 HN ARG 3 10.920 3.526 3.521 17 HA ARG 3 HA ARG 3 11.082 6.260 2.324 18 HB2 ARG 3 HB2 ARG 3 13.356 4.250 2.429 19 HB3 ARG 3 HB1 ARG 3 13.434 5.940 1.940 20 HG2 ARG 3 HG2 ARG 3 12.334 5.896 4.563 21 HG3 ARG 3 HG1 ARG 3 13.734 4.825 4.576 22 HD2 ARG 3 HD2 ARG 3 14.311 7.211 5.096 23 HD3 ARG 3 HD1 ARG 3 15.161 6.576 3.689 24 HE ARG 3 HE ARG 3 14.036 8.170 2.368 25 HH11 ARG 3 HH21 ARG 3 12.414 7.627 5.373 26 HH12 ARG 3 HH22 ARG 3 11.256 8.888 5.135 27 HH21 ARG 3 HH11 ARG 3 12.520 9.826 2.041 28 HH22 ARG 3 HH12 ARG 3 11.306 10.123 3.238 29 H LEU 4 HN LEU 4 10.543 6.208 0.170 30 HA LEU 4 HA LEU 4 9.228 4.263 -1.125 31 HB2 LEU 4 HB2 LEU 4 11.301 6.117 -2.319 32 HB3 LEU 4 HB1 LEU 4 10.342 5.030 -3.321 33 HG LEU 4 HG LEU 4 8.280 6.029 -2.156 34 HD11 LEU 4 HD11 LEU 4 8.982 7.243 -0.321 35 HD12 LEU 4 HD12 LEU 4 8.952 8.531 -1.525 36 HD13 LEU 4 HD13 LEU 4 10.479 7.758 -1.102 37 HD21 LEU 4 HD21 LEU 4 8.309 8.027 -3.644 38 HD22 LEU 4 HD22 LEU 4 8.860 6.568 -4.469 39 HD23 LEU 4 HD23 LEU 4 10.032 7.767 -3.920 40 H ALA 5 HN ALA 5 9.569 2.164 -1.603 41 HA ALA 5 HA ALA 5 11.657 0.601 -0.862 42 HB1 ALA 5 HB1 ALA 5 9.444 0.072 -2.275 43 HB2 ALA 5 HB2 ALA 5 10.775 -1.079 -2.156 44 HB3 ALA 5 HB3 ALA 5 10.623 -0.049 -3.581 45 H LYS 6 HN LYS 6 11.525 2.258 -4.011 46 HA LYS 6 HA LYS 6 13.964 1.312 -5.049 47 HB2 LYS 6 HB2 LYS 6 12.228 3.651 -5.544 48 HB3 LYS 6 HB1 LYS 6 13.916 3.887 -5.990 49 HG2 LYS 6 HG2 LYS 6 12.179 1.562 -6.888 50 HG3 LYS 6 HG1 LYS 6 12.575 2.968 -7.872 51 HD2 LYS 6 HD2 LYS 6 14.565 0.949 -6.769 52 HD3 LYS 6 HD1 LYS 6 14.056 1.102 -8.447 53 HE2 LYS 6 HE2 LYS 6 15.826 2.476 -8.700 54 HE3 LYS 6 HE1 LYS 6 14.874 3.677 -7.832 55 HZ1 LYS 6 HZ1 LYS 6 16.834 1.768 -6.679 56 HZ2 LYS 6 HZ2 LYS 6 15.833 2.769 -5.742 57 HZ3 LYS 6 HZ3 LYS 6 16.992 3.452 -6.778 58 H THR 7 HN THR 7 13.343 3.781 -2.635 59 HA THR 7 HA THR 7 16.090 4.765 -2.561 60 HB THR 7 HB THR 7 14.546 4.973 -0.069 61 HG1 THR 7 HG1 THR 7 12.783 4.919 -1.417 62 HG21 THR 7 HG21 THR 7 15.145 7.281 -0.251 63 HG22 THR 7 HG22 THR 7 15.447 7.139 -1.982 64 HG23 THR 7 HG23 THR 7 16.534 6.363 -0.829 65 H LEU 8 HN LEU 8 14.113 2.561 -0.578 66 HA LEU 8 HA LEU 8 16.204 1.541 1.092 67 HB2 LEU 8 HB2 LEU 8 13.591 0.450 0.059 68 HB3 LEU 8 HB1 LEU 8 14.699 -0.609 0.931 69 HG LEU 8 HG LEU 8 13.903 2.076 2.054 70 HD11 LEU 8 HD11 LEU 8 12.278 0.599 3.456 71 HD12 LEU 8 HD12 LEU 8 12.405 -0.538 2.116 72 HD13 LEU 8 HD13 LEU 8 11.778 1.087 1.837 73 HD21 LEU 8 HD21 LEU 8 14.419 0.835 4.196 74 HD22 LEU 8 HD22 LEU 8 15.808 1.012 3.123 75 HD23 LEU 8 HD23 LEU 8 14.951 -0.528 3.211 76 H GLY 9 HN GLY 9 14.999 0.576 -2.102 77 HA2 GLY 9 HA2 GLY 9 16.796 -1.543 -2.669 78 HA3 GLY 9 HA1 GLY 9 16.103 -0.471 -3.882 79 H LEU 10 HN LEU 10 17.125 1.965 -3.278 80 HA LEU 10 HA LEU 10 19.809 1.910 -4.239 81 HB2 LEU 10 HB2 LEU 10 18.070 3.963 -2.920 82 HB3 LEU 10 HB1 LEU 10 19.799 4.284 -3.034 83 HG LEU 10 HG LEU 10 18.460 3.279 -5.499 84 HD11 LEU 10 HD11 LEU 10 16.811 4.907 -4.755 85 HD12 LEU 10 HD12 LEU 10 17.748 5.611 -6.075 86 HD13 LEU 10 HD13 LEU 10 18.082 6.080 -4.409 87 HD21 LEU 10 HD21 LEU 10 20.899 3.841 -5.342 88 HD22 LEU 10 HD22 LEU 10 20.452 5.513 -4.996 89 HD23 LEU 10 HD23 LEU 10 20.048 4.798 -6.556 90 H VAL 11 HN VAL 11 18.546 2.348 -0.914 91 HA VAL 11 HA VAL 11 21.069 2.443 0.398 92 HB VAL 11 HB VAL 11 18.535 1.136 1.449 93 HG11 VAL 11 HG11 VAL 11 19.490 1.974 3.645 94 HG12 VAL 11 HG12 VAL 11 20.978 2.344 2.776 95 HG13 VAL 11 HG13 VAL 11 20.413 0.679 2.886 96 HG21 VAL 11 HG21 VAL 11 18.658 3.681 2.509 97 HG22 VAL 11 HG22 VAL 11 17.642 3.207 1.150 98 HG23 VAL 11 HG23 VAL 11 19.217 3.942 0.857 99 H LEU 12 HN LEU 12 18.954 -0.372 -0.250 100 HA LEU 12 HA LEU 12 20.662 -2.398 0.727 101 HB2 LEU 12 HB2 LEU 12 18.724 -2.408 -1.601 102 HB3 LEU 12 HB1 LEU 12 19.529 -3.863 -1.014 103 HG LEU 12 HG LEU 12 17.922 -2.056 0.808 104 HD11 LEU 12 HD11 LEU 12 17.032 -4.422 -0.860 105 HD12 LEU 12 HD12 LEU 12 16.333 -2.803 -0.819 106 HD13 LEU 12 HD13 LEU 12 16.149 -3.877 0.567 107 HD21 LEU 12 HD21 LEU 12 17.777 -4.321 2.048 108 HD22 LEU 12 HD22 LEU 12 19.329 -3.488 2.076 109 HD23 LEU 12 HD23 LEU 12 19.077 -4.845 0.978 110 H ALA 13 HN ALA 13 20.686 -0.687 -2.361 111 HA ALA 13 HA ALA 13 22.844 -2.363 -3.428 112 HB1 ALA 13 HB1 ALA 13 22.689 -1.016 -5.390 113 HB2 ALA 13 HB2 ALA 13 21.918 0.306 -4.511 114 HB3 ALA 13 HB3 ALA 13 21.030 -1.190 -4.814 115 H VAL 14 HN VAL 14 22.490 0.936 -2.152 116 HA VAL 14 HA VAL 14 25.215 1.688 -2.616 117 HB VAL 14 HB VAL 14 23.169 2.744 -0.639 118 HG11 VAL 14 HG11 VAL 14 25.326 3.418 0.180 119 HG12 VAL 14 HG12 VAL 14 24.675 4.802 -0.698 120 HG13 VAL 14 HG13 VAL 14 25.901 3.780 -1.449 121 HG21 VAL 14 HG21 VAL 14 22.595 4.313 -2.291 122 HG22 VAL 14 HG22 VAL 14 22.863 2.855 -3.245 123 HG23 VAL 14 HG23 VAL 14 24.112 4.094 -3.162 124 H LEU 15 HN LEU 15 23.592 0.554 0.394 125 HA LEU 15 HA LEU 15 26.074 0.570 1.854 126 HB2 LEU 15 HB2 LEU 15 24.792 0.115 3.646 127 HB3 LEU 15 HB1 LEU 15 23.418 0.324 2.565 128 HG LEU 15 HG LEU 15 24.802 -2.350 2.961 129 HD11 LEU 15 HD11 LEU 15 22.286 -1.324 4.303 130 HD12 LEU 15 HD12 LEU 15 23.855 -1.479 5.100 131 HD13 LEU 15 HD13 LEU 15 23.018 -2.918 4.513 132 HD21 LEU 15 HD21 LEU 15 23.378 -1.915 0.901 133 HD22 LEU 15 HD22 LEU 15 22.014 -1.677 1.994 134 HD23 LEU 15 HD23 LEU 15 22.824 -3.243 1.923 135 H LEU 16 HN LEU 16 25.085 -1.357 -0.648 136 HA LEU 16 HA LEU 16 26.466 -3.803 0.271 137 HB2 LEU 16 HB2 LEU 16 24.629 -3.173 -1.826 138 HB3 LEU 16 HB1 LEU 16 26.122 -3.733 -2.580 139 HG LEU 16 HG LEU 16 24.732 -5.198 -0.319 140 HD11 LEU 16 HD11 LEU 16 23.367 -6.216 -1.793 141 HD12 LEU 16 HD12 LEU 16 24.685 -6.487 -2.930 142 HD13 LEU 16 HD13 LEU 16 23.816 -4.954 -2.938 143 HD21 LEU 16 HD21 LEU 16 27.192 -5.597 -0.646 144 HD22 LEU 16 HD22 LEU 16 26.844 -6.124 -2.293 145 HD23 LEU 16 HD23 LEU 16 26.209 -7.035 -0.922 146 H ILE 17 HN ILE 17 27.154 -0.782 -1.159 147 HA ILE 17 HA ILE 17 29.910 -1.713 -1.853 148 HB ILE 17 HB ILE 17 28.313 -1.184 -3.811 149 HG12 ILE 17 HG12 ILE 17 30.813 0.519 -3.722 150 HG13 ILE 17 HG11 ILE 17 30.876 -1.241 -3.849 151 HG21 ILE 17 HG21 ILE 17 28.926 1.657 -2.956 152 HG22 ILE 17 HG22 ILE 17 27.365 0.868 -2.730 153 HG23 ILE 17 HG23 ILE 17 27.982 1.150 -4.357 154 HD11 ILE 17 HD11 ILE 17 29.971 -1.259 -5.973 155 HD12 ILE 17 HD12 ILE 17 30.817 0.288 -6.022 156 HD13 ILE 17 HD13 ILE 17 29.080 0.241 -5.720 157 H CYS 18 HN CYS 18 27.884 0.510 -0.209 158 HA CYS 18 HA CYS 18 30.288 2.074 0.613 159 HB2 CYS 18 HB2 CYS 18 28.172 3.075 -0.892 160 HB3 CYS 18 HB1 CYS 18 27.793 3.585 0.753 161 HG CYS 18 HG CYS 18 30.180 4.569 -0.921 162 H TRP 19 HN TRP 19 29.021 -0.217 1.839 163 HA TRP 19 HA TRP 19 27.274 0.219 3.965 164 HB2 TRP 19 HB2 TRP 19 29.390 -1.440 4.958 165 HB3 TRP 19 HB1 TRP 19 27.821 -1.938 4.341 166 HD1 TRP 19 HD1 TRP 19 28.129 -3.699 2.540 167 HE1 TRP 19 HE1 TRP 19 29.713 -4.039 0.534 168 HE3 TRP 19 HE3 TRP 19 31.209 0.325 3.155 169 HZ2 TRP 19 HZ2 TRP 19 31.982 -2.772 -0.654 170 HZ3 TRP 19 HZ3 TRP 19 33.056 0.743 1.565 171 HH2 TRP 19 HH2 TRP 19 33.446 -0.795 -0.337 172 H PHE 20 HN PHE 20 30.514 -0.289 5.203 173 HA PHE 20 HA PHE 20 30.893 2.481 5.989 174 HB2 PHE 20 HB2 PHE 20 30.735 0.742 8.406 175 HB3 PHE 20 HB1 PHE 20 30.407 2.452 8.237 176 HD1 PHE 20 HD2 PHE 20 29.019 -0.951 7.627 177 HD2 PHE 20 HD1 PHE 20 28.208 3.269 7.768 178 HE1 PHE 20 HE2 PHE 20 26.589 -1.412 7.490 179 HE2 PHE 20 HE1 PHE 20 25.778 2.802 7.634 180 HZ PHE 20 HZ PHE 20 24.968 0.463 7.493 181 HA PRO 21 HA PRO 21 34.546 0.076 7.717 182 HB2 PRO 21 HB2 PRO 21 34.552 -2.615 7.904 183 HB3 PRO 21 HB1 PRO 21 33.773 -1.592 9.121 184 HG2 PRO 21 HG2 PRO 21 32.555 -3.171 6.914 185 HG3 PRO 21 HG1 PRO 21 31.972 -2.892 8.563 186 HD2 PRO 21 HD2 PRO 21 31.049 -1.521 6.334 187 HD3 PRO 21 HD1 PRO 21 30.938 -0.934 8.003 188 H VAL 22 HN VAL 22 33.088 -1.971 5.203 189 HA VAL 22 HA VAL 22 35.499 -2.884 4.030 190 HB VAL 22 HB VAL 22 33.046 -2.366 2.370 191 HG11 VAL 22 HG11 VAL 22 34.971 -4.700 2.616 192 HG12 VAL 22 HG12 VAL 22 35.023 -3.461 1.363 193 HG13 VAL 22 HG13 VAL 22 33.658 -4.572 1.447 194 HG21 VAL 22 HG21 VAL 22 33.292 -4.136 4.777 195 HG22 VAL 22 HG22 VAL 22 32.377 -4.726 3.389 196 HG23 VAL 22 HG23 VAL 22 31.893 -3.232 4.193 197 H LEU 23 HN LEU 23 34.215 0.290 4.068 198 HA LEU 23 HA LEU 23 35.034 1.193 1.484 199 HB2 LEU 23 HB2 LEU 23 34.868 3.400 2.317 200 HB3 LEU 23 HB1 LEU 23 33.687 2.498 3.256 201 HG LEU 23 HG LEU 23 35.676 2.179 4.947 202 HD11 LEU 23 HD11 LEU 23 37.554 3.399 4.614 203 HD12 LEU 23 HD12 LEU 23 36.624 4.853 4.258 204 HD13 LEU 23 HD13 LEU 23 36.973 3.694 2.977 205 HD21 LEU 23 HD21 LEU 23 34.747 3.875 6.211 206 HD22 LEU 23 HD22 LEU 23 33.501 3.725 4.973 207 HD23 LEU 23 HD23 LEU 23 34.706 5.008 4.859 208 H ALA 24 HN ALA 24 36.835 0.851 4.534 209 HA ALA 24 HA ALA 24 39.336 1.830 3.413 210 HB1 ALA 24 HB1 ALA 24 38.622 0.217 5.873 211 HB2 ALA 24 HB2 ALA 24 39.219 1.874 5.789 212 HB3 ALA 24 HB3 ALA 24 40.299 0.528 5.431 213 H LEU 25 HN LEU 25 37.926 -1.378 4.007 214 HA LEU 25 HA LEU 25 40.066 -2.907 2.895 215 HB2 LEU 25 HB2 LEU 25 37.089 -3.442 3.093 216 HB3 LEU 25 HB1 LEU 25 38.230 -4.631 2.478 217 HG LEU 25 HG LEU 25 39.532 -4.290 4.669 218 HD11 LEU 25 HD11 LEU 25 37.655 -3.635 6.476 219 HD12 LEU 25 HD12 LEU 25 37.096 -2.643 5.132 220 HD13 LEU 25 HD13 LEU 25 38.729 -2.435 5.760 221 HD21 LEU 25 HD21 LEU 25 38.154 -6.288 4.182 222 HD22 LEU 25 HD22 LEU 25 36.731 -5.451 4.800 223 HD23 LEU 25 HD23 LEU 25 38.063 -5.847 5.886 224 H MET 26 HN MET 26 37.076 -1.645 1.446 225 HA MET 26 HA MET 26 37.507 -2.590 -1.183 226 HB2 MET 26 HB2 MET 26 35.384 -1.616 -0.363 227 HB3 MET 26 HB1 MET 26 36.139 -0.027 -0.303 228 HG2 MET 26 HG2 MET 26 36.284 -1.558 -2.873 229 HG3 MET 26 HG1 MET 26 34.749 -0.815 -2.432 230 HE1 MET 26 HE1 MET 26 35.602 -0.015 -4.907 231 HE2 MET 26 HE2 MET 26 35.912 1.720 -4.993 232 HE3 MET 26 HE3 MET 26 34.472 1.129 -4.168 233 H ALA 27 HN ALA 27 38.475 0.500 0.320 234 HA ALA 27 HA ALA 27 39.836 1.373 -2.117 235 HB1 ALA 27 HB1 ALA 27 38.794 2.968 -0.487 236 HB2 ALA 27 HB2 ALA 27 40.489 3.320 -0.820 237 HB3 ALA 27 HB3 ALA 27 40.036 2.519 0.684 238 H HIS 28 HN HIS 28 40.640 -0.713 0.436 239 HA HIS 28 HA HIS 28 43.537 -0.421 -0.248 240 HB2 HIS 28 HB2 HIS 28 42.730 0.526 2.058 241 HB3 HIS 28 HB1 HIS 28 42.660 -1.170 2.528 242 HD1 HIS 28 HD1 HIS 28 45.308 -0.513 0.063 243 HD2 HIS 28 HD2 HIS 28 44.970 -0.417 4.227 244 HE1 HIS 28 HE1 HIS 28 47.669 -0.476 0.981 245 HE2 HIS 28 HE2 HIS 28 47.479 -0.427 3.509 246 H SER 29 HN SER 29 41.490 -2.605 1.727 247 HA SER 29 HA SER 29 42.984 -4.955 1.287 248 HB2 SER 29 HB2 SER 29 39.991 -4.643 1.646 249 HB3 SER 29 HB1 SER 29 40.849 -6.163 1.798 250 HG SER 29 HG SER 29 40.790 -5.379 3.833 251 H LEU 30 HN LEU 30 40.234 -3.674 -0.593 252 HA LEU 30 HA LEU 30 40.815 -5.608 -2.780 253 HB2 LEU 30 HB2 LEU 30 38.665 -3.507 -2.395 254 HB3 LEU 30 HB1 LEU 30 38.884 -4.373 -3.911 255 HG LEU 30 HG LEU 30 38.664 -6.533 -2.616 256 HD11 LEU 30 HD11 LEU 30 37.317 -6.053 -0.386 257 HD12 LEU 30 HD12 LEU 30 38.211 -4.535 -0.426 258 HD13 LEU 30 HD13 LEU 30 39.079 -6.070 -0.378 259 HD21 LEU 30 HD21 LEU 30 36.341 -4.581 -2.526 260 HD22 LEU 30 HD22 LEU 30 36.196 -6.333 -2.381 261 HD23 LEU 30 HD23 LEU 30 36.778 -5.617 -3.885 262 H ALA 31 HN ALA 31 41.680 -2.508 -1.716 263 HA ALA 31 HA ALA 31 42.757 -0.685 -2.748 264 HB1 ALA 31 HB1 ALA 31 43.968 -2.769 -4.572 265 HB2 ALA 31 HB2 ALA 31 44.405 -2.678 -2.866 266 HB3 ALA 31 HB3 ALA 31 44.716 -1.306 -3.929 267 H THR 32 HN THR 32 40.155 -1.216 -3.821 268 HA THR 32 HA THR 32 40.187 -1.314 -6.692 269 HB THR 32 HB THR 32 37.953 0.152 -5.406 270 HG1 THR 32 HG1 THR 32 38.420 -1.187 -3.699 271 HG21 THR 32 HG21 THR 32 38.073 -2.424 -6.999 272 HG22 THR 32 HG22 THR 32 37.939 -0.820 -7.717 273 HG23 THR 32 HG23 THR 32 36.641 -1.441 -6.698 274 H THR 33 HN THR 33 42.151 0.374 -6.472 275 HA THR 33 HA THR 33 41.325 3.171 -6.270 276 HB THR 33 HB THR 33 43.646 3.652 -6.977 277 HG1 THR 33 HG1 THR 33 43.498 1.597 -8.334 278 HG21 THR 33 HG21 THR 33 44.812 2.322 -5.147 279 HG22 THR 33 HG22 THR 33 43.285 1.473 -4.905 280 HG23 THR 33 HG23 THR 33 43.381 3.213 -4.631 Start of MODEL 8 1 H1 ASP 1 HT1 ASP 1 6.772 -0.564 -1.034 2 H2 ASP 1 HT2 ASP 1 8.319 -0.741 -1.712 3 H3 ASP 1 HT3 ASP 1 7.908 0.687 -0.879 4 HA ASP 1 HA ASP 1 7.761 -1.877 0.539 5 HB2 ASP 1 HB2 ASP 1 10.303 -0.245 0.282 6 HB3 ASP 1 HB1 ASP 1 10.100 -1.795 1.094 7 H VAL 2 HN VAL 2 9.394 -0.780 2.652 8 HA VAL 2 HA VAL 2 7.661 1.000 4.074 9 HB VAL 2 HB VAL 2 9.995 1.764 5.090 10 HG11 VAL 2 HG11 VAL 2 8.501 0.408 6.375 11 HG12 VAL 2 HG12 VAL 2 10.055 -0.426 6.398 12 HG13 VAL 2 HG13 VAL 2 8.765 -0.991 5.335 13 HG21 VAL 2 HG21 VAL 2 10.798 -0.862 3.812 14 HG22 VAL 2 HG22 VAL 2 11.818 0.262 4.707 15 HG23 VAL 2 HG23 VAL 2 11.220 0.698 3.108 16 H ARG 3 HN ARG 3 10.202 1.389 1.744 17 HA ARG 3 HA ARG 3 9.133 4.074 1.045 18 HB2 ARG 3 HB2 ARG 3 12.031 3.292 0.606 19 HB3 ARG 3 HB1 ARG 3 11.312 4.901 0.511 20 HG2 ARG 3 HG2 ARG 3 10.767 4.660 2.997 21 HG3 ARG 3 HG1 ARG 3 11.809 3.237 2.992 22 HD2 ARG 3 HD2 ARG 3 13.742 4.479 2.626 23 HD3 ARG 3 HD1 ARG 3 12.864 5.795 1.838 24 HE ARG 3 HE ARG 3 12.192 5.485 4.672 25 HH11 ARG 3 HH21 ARG 3 14.392 6.799 2.356 26 HH12 ARG 3 HH22 ARG 3 14.842 8.144 3.345 27 HH21 ARG 3 HH11 ARG 3 12.766 7.211 5.981 28 HH22 ARG 3 HH12 ARG 3 13.917 8.379 5.418 29 H LEU 4 HN LEU 4 11.515 3.276 -1.088 30 HA LEU 4 HA LEU 4 9.773 1.396 -2.621 31 HB2 LEU 4 HB2 LEU 4 10.598 4.031 -3.401 32 HB3 LEU 4 HB1 LEU 4 11.431 2.868 -4.430 33 HG LEU 4 HG LEU 4 9.240 1.769 -4.909 34 HD11 LEU 4 HD11 LEU 4 7.981 2.351 -2.939 35 HD12 LEU 4 HD12 LEU 4 7.185 3.120 -4.309 36 HD13 LEU 4 HD13 LEU 4 8.206 4.074 -3.234 37 HD21 LEU 4 HD21 LEU 4 9.404 4.746 -5.484 38 HD22 LEU 4 HD22 LEU 4 8.338 3.619 -6.322 39 HD23 LEU 4 HD23 LEU 4 10.086 3.449 -6.467 40 H ALA 5 HN ALA 5 10.882 -0.360 -3.463 41 HA ALA 5 HA ALA 5 13.338 -1.204 -2.409 42 HB1 ALA 5 HB1 ALA 5 12.143 -1.852 -5.124 43 HB2 ALA 5 HB2 ALA 5 11.859 -2.735 -3.623 44 HB3 ALA 5 HB3 ALA 5 13.458 -2.750 -4.366 45 H LYS 6 HN LYS 6 12.682 1.003 -5.009 46 HA LYS 6 HA LYS 6 15.319 1.081 -6.171 47 HB2 LYS 6 HB2 LYS 6 13.118 2.074 -7.107 48 HB3 LYS 6 HB1 LYS 6 13.424 3.431 -6.021 49 HG2 LYS 6 HG2 LYS 6 15.885 3.026 -7.262 50 HG3 LYS 6 HG1 LYS 6 14.721 2.750 -8.558 51 HD2 LYS 6 HD2 LYS 6 13.906 4.918 -8.480 52 HD3 LYS 6 HD1 LYS 6 14.321 5.128 -6.778 53 HE2 LYS 6 HE2 LYS 6 16.442 5.822 -7.247 54 HE3 LYS 6 HE1 LYS 6 16.632 4.667 -8.566 55 HZ1 LYS 6 HZ1 LYS 6 14.982 7.128 -8.739 56 HZ2 LYS 6 HZ2 LYS 6 15.379 6.064 -10.004 57 HZ3 LYS 6 HZ3 LYS 6 16.583 7.015 -9.284 58 H THR 7 HN THR 7 13.679 3.206 -3.794 59 HA THR 7 HA THR 7 15.878 4.807 -3.045 60 HB THR 7 HB THR 7 14.539 4.149 -0.647 61 HG1 THR 7 HG1 THR 7 13.093 2.993 -2.123 62 HG21 THR 7 HG21 THR 7 15.160 6.396 -1.309 63 HG22 THR 7 HG22 THR 7 13.418 6.343 -1.040 64 HG23 THR 7 HG23 THR 7 14.056 6.336 -2.684 65 H LEU 8 HN LEU 8 14.829 1.697 -1.672 66 HA LEU 8 HA LEU 8 17.081 1.313 0.046 67 HB2 LEU 8 HB2 LEU 8 15.324 -0.727 -1.356 68 HB3 LEU 8 HB1 LEU 8 16.398 -1.065 -0.007 69 HG LEU 8 HG LEU 8 14.041 0.847 0.056 70 HD11 LEU 8 HD11 LEU 8 14.481 -1.919 1.202 71 HD12 LEU 8 HD12 LEU 8 13.234 -1.413 0.060 72 HD13 LEU 8 HD13 LEU 8 13.184 -0.849 1.731 73 HD21 LEU 8 HD21 LEU 8 14.614 0.632 2.607 74 HD22 LEU 8 HD22 LEU 8 15.552 1.746 1.615 75 HD23 LEU 8 HD23 LEU 8 16.215 0.165 2.032 76 H GLY 9 HN GLY 9 16.414 0.221 -3.278 77 HA2 GLY 9 HA2 GLY 9 18.756 -1.196 -3.833 78 HA3 GLY 9 HA1 GLY 9 17.891 -0.235 -5.036 79 H LEU 10 HN LEU 10 18.212 2.329 -3.969 80 HA LEU 10 HA LEU 10 20.872 3.012 -4.825 81 HB2 LEU 10 HB2 LEU 10 18.799 4.559 -3.247 82 HB3 LEU 10 HB1 LEU 10 20.348 5.247 -3.735 83 HG LEU 10 HG LEU 10 18.261 4.092 -5.617 84 HD11 LEU 10 HD11 LEU 10 18.315 6.582 -6.381 85 HD12 LEU 10 HD12 LEU 10 19.032 6.890 -4.800 86 HD13 LEU 10 HD13 LEU 10 17.422 6.180 -4.913 87 HD21 LEU 10 HD21 LEU 10 19.862 5.362 -7.272 88 HD22 LEU 10 HD22 LEU 10 20.304 3.748 -6.717 89 HD23 LEU 10 HD23 LEU 10 21.050 5.168 -5.982 90 H VAL 11 HN VAL 11 19.415 3.128 -1.546 91 HA VAL 11 HA VAL 11 21.783 3.612 -0.093 92 HB VAL 11 HB VAL 11 19.657 1.648 0.816 93 HG11 VAL 11 HG11 VAL 11 21.347 3.691 2.291 94 HG12 VAL 11 HG12 VAL 11 21.639 1.951 2.264 95 HG13 VAL 11 HG13 VAL 11 20.184 2.593 3.028 96 HG21 VAL 11 HG21 VAL 11 18.156 3.310 0.416 97 HG22 VAL 11 HG22 VAL 11 19.421 4.511 0.159 98 HG23 VAL 11 HG23 VAL 11 18.897 4.118 1.796 99 H LEU 12 HN LEU 12 20.427 0.551 -1.265 100 HA LEU 12 HA LEU 12 22.501 -1.186 -0.332 101 HB2 LEU 12 HB2 LEU 12 20.556 -2.243 -1.172 102 HB3 LEU 12 HB1 LEU 12 20.544 -1.260 -2.631 103 HG LEU 12 HG LEU 12 22.714 -2.412 -3.295 104 HD11 LEU 12 HD11 LEU 12 22.428 -3.454 -0.652 105 HD12 LEU 12 HD12 LEU 12 23.710 -3.781 -1.817 106 HD13 LEU 12 HD13 LEU 12 22.272 -4.799 -1.782 107 HD21 LEU 12 HD21 LEU 12 20.441 -3.029 -4.173 108 HD22 LEU 12 HD22 LEU 12 20.329 -4.243 -2.898 109 HD23 LEU 12 HD23 LEU 12 21.572 -4.381 -4.142 110 H ALA 13 HN ALA 13 22.059 0.294 -3.560 111 HA ALA 13 HA ALA 13 24.568 -0.448 -4.636 112 HB1 ALA 13 HB1 ALA 13 23.155 2.162 -5.244 113 HB2 ALA 13 HB2 ALA 13 22.601 0.609 -5.870 114 HB3 ALA 13 HB3 ALA 13 24.192 1.222 -6.316 115 H VAL 14 HN VAL 14 23.743 2.147 -2.428 116 HA VAL 14 HA VAL 14 26.392 3.409 -2.732 117 HB VAL 14 HB VAL 14 24.194 3.985 -0.711 118 HG11 VAL 14 HG11 VAL 14 25.615 6.308 -1.241 119 HG12 VAL 14 HG12 VAL 14 26.873 5.073 -1.229 120 HG13 VAL 14 HG13 VAL 14 25.829 5.282 0.178 121 HG21 VAL 14 HG21 VAL 14 23.085 5.165 -2.299 122 HG22 VAL 14 HG22 VAL 14 24.074 4.308 -3.480 123 HG23 VAL 14 HG23 VAL 14 24.573 5.895 -2.900 124 H LEU 15 HN LEU 15 24.574 1.595 -0.249 125 HA LEU 15 HA LEU 15 26.561 1.542 1.750 126 HB2 LEU 15 HB2 LEU 15 24.690 0.516 2.572 127 HB3 LEU 15 HB1 LEU 15 24.252 -0.179 1.014 128 HG LEU 15 HG LEU 15 26.705 -1.255 2.316 129 HD11 LEU 15 HD11 LEU 15 23.898 -1.853 3.295 130 HD12 LEU 15 HD12 LEU 15 25.182 -1.090 4.233 131 HD13 LEU 15 HD13 LEU 15 25.335 -2.775 3.733 132 HD21 LEU 15 HD21 LEU 15 25.114 -1.923 0.141 133 HD22 LEU 15 HD22 LEU 15 24.591 -3.066 1.377 134 HD23 LEU 15 HD23 LEU 15 26.289 -2.990 0.908 135 H LEU 16 HN LEU 16 26.154 -0.558 -1.102 136 HA LEU 16 HA LEU 16 28.193 -2.413 -0.699 137 HB2 LEU 16 HB2 LEU 16 27.254 -1.001 -3.191 138 HB3 LEU 16 HB1 LEU 16 28.555 -2.191 -3.256 139 HG LEU 16 HG LEU 16 25.864 -2.758 -1.984 140 HD11 LEU 16 HD11 LEU 16 25.630 -4.167 -4.173 141 HD12 LEU 16 HD12 LEU 16 26.819 -3.042 -4.826 142 HD13 LEU 16 HD13 LEU 16 25.271 -2.442 -4.234 143 HD21 LEU 16 HD21 LEU 16 26.792 -5.146 -2.678 144 HD22 LEU 16 HD22 LEU 16 27.335 -4.376 -1.187 145 HD23 LEU 16 HD23 LEU 16 28.347 -4.313 -2.629 146 H ILE 17 HN ILE 17 28.523 0.992 -1.046 147 HA ILE 17 HA ILE 17 31.487 0.669 -0.972 148 HB ILE 17 HB ILE 17 29.925 2.688 -2.623 149 HG12 ILE 17 HG12 ILE 17 31.855 1.302 -4.152 150 HG13 ILE 17 HG11 ILE 17 31.057 0.075 -3.171 151 HG21 ILE 17 HG21 ILE 17 31.770 3.964 -2.032 152 HG22 ILE 17 HG22 ILE 17 32.442 3.098 -3.411 153 HG23 ILE 17 HG23 ILE 17 32.798 2.554 -1.773 154 HD11 ILE 17 HD11 ILE 17 29.945 0.538 -5.395 155 HD12 ILE 17 HD12 ILE 17 29.548 2.145 -4.787 156 HD13 ILE 17 HD13 ILE 17 28.887 0.714 -3.995 157 H CYS 18 HN CYS 18 29.082 1.303 0.912 158 HA CYS 18 HA CYS 18 30.546 3.324 2.460 159 HB2 CYS 18 HB2 CYS 18 27.980 3.928 1.059 160 HB3 CYS 18 HB1 CYS 18 28.223 4.601 2.670 161 HG CYS 18 HG CYS 18 30.260 5.117 0.348 162 H TRP 19 HN TRP 19 29.030 0.532 2.385 163 HA TRP 19 HA TRP 19 27.081 0.110 4.230 164 HB2 TRP 19 HB2 TRP 19 29.218 -1.576 5.115 165 HB3 TRP 19 HB1 TRP 19 27.875 -1.992 4.055 166 HD1 TRP 19 HD1 TRP 19 28.779 -3.033 1.916 167 HE1 TRP 19 HE1 TRP 19 30.726 -2.535 0.296 168 HE3 TRP 19 HE3 TRP 19 30.983 0.860 4.355 169 HZ2 TRP 19 HZ2 TRP 19 32.923 -0.722 0.068 170 HZ3 TRP 19 HZ3 TRP 19 32.986 1.965 3.420 171 HH2 TRP 19 HH2 TRP 19 33.955 1.187 1.278 172 H PHE 20 HN PHE 20 30.306 -0.220 5.706 173 HA PHE 20 HA PHE 20 30.024 2.019 7.471 174 HB2 PHE 20 HB2 PHE 20 28.733 -0.485 8.299 175 HB3 PHE 20 HB1 PHE 20 29.872 0.143 9.492 176 HD1 PHE 20 HD2 PHE 20 29.727 2.949 9.482 177 HD2 PHE 20 HD1 PHE 20 26.541 0.163 8.718 178 HE1 PHE 20 HE2 PHE 20 28.065 4.661 10.150 179 HE2 PHE 20 HE1 PHE 20 24.884 1.881 9.386 180 HZ PHE 20 HZ PHE 20 25.645 4.129 10.104 181 HA PRO 21 HA PRO 21 33.756 -0.354 9.021 182 HB2 PRO 21 HB2 PRO 21 34.006 -3.027 8.775 183 HB3 PRO 21 HB1 PRO 21 32.964 -2.295 10.007 184 HG2 PRO 21 HG2 PRO 21 32.238 -3.599 7.443 185 HG3 PRO 21 HG1 PRO 21 31.379 -3.587 8.994 186 HD2 PRO 21 HD2 PRO 21 30.777 -1.963 6.773 187 HD3 PRO 21 HD1 PRO 21 30.204 -1.714 8.434 188 H VAL 22 HN VAL 22 32.740 -1.496 5.864 189 HA VAL 22 HA VAL 22 35.365 -2.350 5.024 190 HB VAL 22 HB VAL 22 33.245 -1.585 3.047 191 HG11 VAL 22 HG11 VAL 22 33.993 -3.745 2.043 192 HG12 VAL 22 HG12 VAL 22 35.142 -3.930 3.367 193 HG13 VAL 22 HG13 VAL 22 35.314 -2.592 2.230 194 HG21 VAL 22 HG21 VAL 22 32.344 -3.995 3.602 195 HG22 VAL 22 HG22 VAL 22 31.788 -2.622 4.556 196 HG23 VAL 22 HG23 VAL 22 33.044 -3.687 5.189 197 H LEU 23 HN LEU 23 34.371 0.751 5.621 198 HA LEU 23 HA LEU 23 35.288 2.113 3.258 199 HB2 LEU 23 HB2 LEU 23 35.911 3.813 5.411 200 HB3 LEU 23 HB1 LEU 23 34.459 3.852 4.417 201 HG LEU 23 HG LEU 23 33.487 2.096 5.997 202 HD11 LEU 23 HD11 LEU 23 36.000 2.891 7.488 203 HD12 LEU 23 HD12 LEU 23 35.408 1.267 7.139 204 HD13 LEU 23 HD13 LEU 23 34.582 2.268 8.329 205 HD21 LEU 23 HD21 LEU 23 33.043 3.844 7.785 206 HD22 LEU 23 HD22 LEU 23 32.714 4.368 6.135 207 HD23 LEU 23 HD23 LEU 23 34.191 4.889 6.946 208 H ALA 24 HN ALA 24 36.974 1.624 6.385 209 HA ALA 24 HA ALA 24 39.554 2.418 5.510 210 HB1 ALA 24 HB1 ALA 24 38.759 0.288 7.531 211 HB2 ALA 24 HB2 ALA 24 39.123 1.978 7.877 212 HB3 ALA 24 HB3 ALA 24 40.402 0.896 7.326 213 H LEU 25 HN LEU 25 37.960 -0.762 5.419 214 HA LEU 25 HA LEU 25 40.085 -2.178 4.145 215 HB2 LEU 25 HB2 LEU 25 37.084 -2.538 4.185 216 HB3 LEU 25 HB1 LEU 25 38.114 -3.611 3.245 217 HG LEU 25 HG LEU 25 39.468 -3.722 5.559 218 HD11 LEU 25 HD11 LEU 25 37.935 -2.129 6.685 219 HD12 LEU 25 HD12 LEU 25 37.926 -3.710 7.462 220 HD13 LEU 25 HD13 LEU 25 36.597 -3.240 6.404 221 HD21 LEU 25 HD21 LEU 25 38.160 -5.766 6.086 222 HD22 LEU 25 HD22 LEU 25 38.526 -5.654 4.365 223 HD23 LEU 25 HD23 LEU 25 36.912 -5.247 4.954 224 H MET 26 HN MET 26 37.228 -0.545 2.781 225 HA MET 26 HA MET 26 37.816 -0.868 0.033 226 HB2 MET 26 HB2 MET 26 35.688 0.014 0.940 227 HB3 MET 26 HB1 MET 26 36.514 1.482 1.440 228 HG2 MET 26 HG2 MET 26 36.532 0.562 -1.436 229 HG3 MET 26 HG1 MET 26 35.231 1.556 -0.791 230 HE1 MET 26 HE1 MET 26 35.319 3.594 0.197 231 HE2 MET 26 HE2 MET 26 36.500 4.876 -0.057 232 HE3 MET 26 HE3 MET 26 36.738 3.717 1.248 233 H ALA 27 HN ALA 27 38.864 1.625 2.345 234 HA ALA 27 HA ALA 27 40.509 2.926 0.270 235 HB1 ALA 27 HB1 ALA 27 39.218 4.149 2.124 236 HB2 ALA 27 HB2 ALA 27 40.893 4.641 1.874 237 HB3 ALA 27 HB3 ALA 27 40.477 3.580 3.220 238 H HIS 28 HN HIS 28 40.983 0.146 1.868 239 HA HIS 28 HA HIS 28 43.919 0.481 1.822 240 HB2 HIS 28 HB2 HIS 28 43.248 1.185 4.123 241 HB3 HIS 28 HB1 HIS 28 42.502 -0.394 4.361 242 HD1 HIS 28 HD1 HIS 28 45.693 -0.263 2.425 243 HD2 HIS 28 HD2 HIS 28 44.497 -0.984 6.357 244 HE1 HIS 28 HE1 HIS 28 47.686 -1.286 3.614 245 HE2 HIS 28 HE2 HIS 28 46.970 -1.731 6.009 246 H SER 29 HN SER 29 41.548 -1.844 3.175 247 HA SER 29 HA SER 29 43.013 -4.174 2.436 248 HB2 SER 29 HB2 SER 29 40.044 -3.746 2.827 249 HB3 SER 29 HB1 SER 29 40.768 -5.327 2.617 250 HG SER 29 HG SER 29 41.563 -5.232 4.580 251 H LEU 30 HN LEU 30 40.177 -2.726 0.826 252 HA LEU 30 HA LEU 30 40.780 -4.186 -1.664 253 HB2 LEU 30 HB2 LEU 30 38.496 -3.940 -1.601 254 HB3 LEU 30 HB1 LEU 30 38.580 -2.488 -0.613 255 HG LEU 30 HG LEU 30 39.315 -1.210 -2.643 256 HD11 LEU 30 HD11 LEU 30 39.844 -2.263 -4.562 257 HD12 LEU 30 HD12 LEU 30 38.318 -3.146 -4.561 258 HD13 LEU 30 HD13 LEU 30 39.708 -3.791 -3.690 259 HD21 LEU 30 HD21 LEU 30 36.878 -1.524 -1.861 260 HD22 LEU 30 HD22 LEU 30 36.726 -2.669 -3.194 261 HD23 LEU 30 HD23 LEU 30 37.123 -0.982 -3.519 262 H ALA 31 HN ALA 31 41.482 -1.182 -0.127 263 HA ALA 31 HA ALA 31 42.764 0.666 -0.801 264 HB1 ALA 31 HB1 ALA 31 44.395 -1.239 -1.029 265 HB2 ALA 31 HB2 ALA 31 44.727 0.114 -2.111 266 HB3 ALA 31 HB3 ALA 31 43.954 -1.343 -2.734 267 H THR 32 HN THR 32 40.274 0.691 -2.000 268 HA THR 32 HA THR 32 40.279 0.904 -4.846 269 HB THR 32 HB THR 32 38.614 2.844 -3.336 270 HG1 THR 32 HG1 THR 32 38.685 1.227 -1.810 271 HG21 THR 32 HG21 THR 32 36.864 1.357 -4.628 272 HG22 THR 32 HG22 THR 32 38.287 0.791 -5.502 273 HG23 THR 32 HG23 THR 32 37.868 2.505 -5.512 274 H THR 33 HN THR 33 41.631 2.233 -5.977 275 HA THR 33 HA THR 33 42.817 4.576 -4.662 276 HB THR 33 HB THR 33 44.157 4.690 -6.786 277 HG1 THR 33 HG1 THR 33 42.372 3.713 -8.007 278 HG21 THR 33 HG21 THR 33 44.429 1.846 -6.165 279 HG22 THR 33 HG22 THR 33 44.299 2.836 -4.713 280 HG23 THR 33 HG23 THR 33 45.567 3.163 -5.895 Start of MODEL 9 1 H1 ASP 1 HT1 ASP 1 7.237 0.173 -2.419 2 H2 ASP 1 HT2 ASP 1 8.872 -0.256 -2.556 3 H3 ASP 1 HT3 ASP 1 8.414 1.060 -1.577 4 HA ASP 1 HA ASP 1 7.124 -1.413 -0.880 5 HB2 ASP 1 HB2 ASP 1 10.072 -1.110 -0.274 6 HB3 ASP 1 HB1 ASP 1 9.042 -2.498 0.072 7 H VAL 2 HN VAL 2 8.957 -1.202 1.593 8 HA VAL 2 HA VAL 2 7.448 0.651 3.175 9 HB VAL 2 HB VAL 2 9.536 0.643 4.659 10 HG11 VAL 2 HG11 VAL 2 7.681 -0.984 4.930 11 HG12 VAL 2 HG12 VAL 2 9.243 -1.708 5.308 12 HG13 VAL 2 HG13 VAL 2 8.464 -2.053 3.767 13 HG21 VAL 2 HG21 VAL 2 11.322 -0.919 4.083 14 HG22 VAL 2 HG22 VAL 2 11.147 0.254 2.776 15 HG23 VAL 2 HG23 VAL 2 10.491 -1.374 2.594 16 H ARG 3 HN ARG 3 10.114 0.892 1.007 17 HA ARG 3 HA ARG 3 9.770 3.842 0.963 18 HB2 ARG 3 HB2 ARG 3 12.425 2.504 0.358 19 HB3 ARG 3 HB1 ARG 3 12.111 4.216 0.641 20 HG2 ARG 3 HG2 ARG 3 11.214 2.866 2.964 21 HG3 ARG 3 HG1 ARG 3 12.770 2.141 2.555 22 HD2 ARG 3 HD2 ARG 3 13.829 3.945 3.375 23 HD3 ARG 3 HD1 ARG 3 13.001 4.976 2.210 24 HE ARG 3 HE ARG 3 12.235 4.572 5.024 25 HH11 ARG 3 HH21 ARG 3 11.360 5.618 1.836 26 HH12 ARG 3 HH22 ARG 3 10.104 6.667 2.391 27 HH21 ARG 3 HH11 ARG 3 10.598 5.933 5.748 28 HH22 ARG 3 HH12 ARG 3 9.667 6.846 4.603 29 H LEU 4 HN LEU 4 12.001 3.141 -1.269 30 HA LEU 4 HA LEU 4 10.109 1.968 -3.251 31 HB2 LEU 4 HB2 LEU 4 11.971 4.331 -3.633 32 HB3 LEU 4 HB1 LEU 4 11.327 3.404 -4.984 33 HG LEU 4 HG LEU 4 9.879 5.294 -4.690 34 HD11 LEU 4 HD11 LEU 4 8.881 2.865 -4.853 35 HD12 LEU 4 HD12 LEU 4 7.817 4.229 -4.538 36 HD13 LEU 4 HD13 LEU 4 8.328 3.191 -3.212 37 HD21 LEU 4 HD21 LEU 4 8.997 4.705 -1.946 38 HD22 LEU 4 HD22 LEU 4 9.391 6.248 -2.697 39 HD23 LEU 4 HD23 LEU 4 10.676 5.233 -2.052 40 H ALA 5 HN ALA 5 11.048 0.308 -4.422 41 HA ALA 5 HA ALA 5 13.325 -1.056 -3.607 42 HB1 ALA 5 HB1 ALA 5 11.947 -0.819 -6.256 43 HB2 ALA 5 HB2 ALA 5 12.152 -2.232 -5.224 44 HB3 ALA 5 HB3 ALA 5 13.501 -1.646 -6.192 45 H LYS 6 HN LYS 6 13.148 1.792 -5.618 46 HA LYS 6 HA LYS 6 15.892 1.882 -6.472 47 HB2 LYS 6 HB2 LYS 6 13.582 3.440 -6.855 48 HB3 LYS 6 HB1 LYS 6 14.695 4.505 -5.999 49 HG2 LYS 6 HG2 LYS 6 15.689 2.881 -8.329 50 HG3 LYS 6 HG1 LYS 6 14.788 4.366 -8.624 51 HD2 LYS 6 HD2 LYS 6 16.604 5.600 -8.180 52 HD3 LYS 6 HD1 LYS 6 16.721 4.885 -6.568 53 HE2 LYS 6 HE2 LYS 6 18.797 4.361 -7.688 54 HE3 LYS 6 HE1 LYS 6 17.854 2.870 -7.673 55 HZ1 LYS 6 HZ1 LYS 6 18.241 2.874 -9.857 56 HZ2 LYS 6 HZ2 LYS 6 18.651 4.522 -9.898 57 HZ3 LYS 6 HZ3 LYS 6 17.023 4.047 -9.943 58 H THR 7 HN THR 7 14.179 3.664 -3.890 59 HA THR 7 HA THR 7 16.425 4.778 -2.602 60 HB THR 7 HB THR 7 14.982 4.778 -0.552 61 HG1 THR 7 HG1 THR 7 13.643 2.903 -2.128 62 HG21 THR 7 HG21 THR 7 12.986 5.934 -1.726 63 HG22 THR 7 HG22 THR 7 13.846 5.585 -3.225 64 HG23 THR 7 HG23 THR 7 14.594 6.603 -1.998 65 H LEU 8 HN LEU 8 14.748 1.742 -1.806 66 HA LEU 8 HA LEU 8 16.630 0.752 0.073 67 HB2 LEU 8 HB2 LEU 8 14.829 -0.710 -1.888 68 HB3 LEU 8 HB1 LEU 8 15.681 -1.475 -0.553 69 HG LEU 8 HG LEU 8 13.984 0.912 0.057 70 HD11 LEU 8 HD11 LEU 8 12.986 -1.828 -0.719 71 HD12 LEU 8 HD12 LEU 8 12.370 -0.248 -1.208 72 HD13 LEU 8 HD13 LEU 8 12.094 -0.833 0.431 73 HD21 LEU 8 HD21 LEU 8 13.656 -0.307 2.160 74 HD22 LEU 8 HD22 LEU 8 15.379 -0.230 1.790 75 HD23 LEU 8 HD23 LEU 8 14.479 -1.718 1.496 76 H GLY 9 HN GLY 9 16.331 0.128 -3.426 77 HA2 GLY 9 HA2 GLY 9 18.583 -1.492 -3.781 78 HA3 GLY 9 HA1 GLY 9 17.961 -0.400 -5.010 79 H LEU 10 HN LEU 10 18.363 2.056 -3.755 80 HA LEU 10 HA LEU 10 21.153 2.516 -4.290 81 HB2 LEU 10 HB2 LEU 10 19.011 4.197 -2.971 82 HB3 LEU 10 HB1 LEU 10 20.656 4.781 -3.229 83 HG LEU 10 HG LEU 10 18.944 3.668 -5.467 84 HD11 LEU 10 HD11 LEU 10 19.263 6.514 -4.484 85 HD12 LEU 10 HD12 LEU 10 17.764 5.607 -4.674 86 HD13 LEU 10 HD13 LEU 10 18.672 6.115 -6.096 87 HD21 LEU 10 HD21 LEU 10 21.603 5.047 -5.234 88 HD22 LEU 10 HD22 LEU 10 20.644 5.289 -6.692 89 HD23 LEU 10 HD23 LEU 10 21.151 3.661 -6.229 90 H VAL 11 HN VAL 11 19.313 2.720 -1.222 91 HA VAL 11 HA VAL 11 21.422 3.186 0.531 92 HB VAL 11 HB VAL 11 19.149 1.237 1.046 93 HG11 VAL 11 HG11 VAL 11 19.431 2.145 3.402 94 HG12 VAL 11 HG12 VAL 11 20.924 2.903 2.853 95 HG13 VAL 11 HG13 VAL 11 20.766 1.146 2.828 96 HG21 VAL 11 HG21 VAL 11 19.033 3.990 0.350 97 HG22 VAL 11 HG22 VAL 11 18.730 3.899 2.083 98 HG23 VAL 11 HG23 VAL 11 17.723 2.983 0.964 99 H LEU 12 HN LEU 12 20.280 -0.039 -0.518 100 HA LEU 12 HA LEU 12 22.363 -1.501 0.788 101 HB2 LEU 12 HB2 LEU 12 20.266 -2.044 -1.180 102 HB3 LEU 12 HB1 LEU 12 21.731 -2.973 -1.490 103 HG LEU 12 HG LEU 12 21.723 -3.701 0.909 104 HD11 LEU 12 HD11 LEU 12 20.502 -1.979 2.000 105 HD12 LEU 12 HD12 LEU 12 19.451 -3.393 2.066 106 HD13 LEU 12 HD13 LEU 12 19.146 -2.122 0.883 107 HD21 LEU 12 HD21 LEU 12 19.912 -5.316 0.655 108 HD22 LEU 12 HD22 LEU 12 20.685 -5.071 -0.909 109 HD23 LEU 12 HD23 LEU 12 19.137 -4.304 -0.563 110 H ALA 13 HN ALA 13 22.095 -0.395 -2.611 111 HA ALA 13 HA ALA 13 24.636 -1.298 -3.477 112 HB1 ALA 13 HB1 ALA 13 24.480 0.531 -5.179 113 HB2 ALA 13 HB2 ALA 13 23.071 1.159 -4.321 114 HB3 ALA 13 HB3 ALA 13 23.010 -0.438 -5.069 115 H VAL 14 HN VAL 14 23.718 1.584 -1.664 116 HA VAL 14 HA VAL 14 26.414 2.717 -1.832 117 HB VAL 14 HB VAL 14 24.139 3.494 0.027 118 HG11 VAL 14 HG11 VAL 14 25.343 5.424 0.485 119 HG12 VAL 14 HG12 VAL 14 26.224 5.368 -1.043 120 HG13 VAL 14 HG13 VAL 14 26.667 4.281 0.272 121 HG21 VAL 14 HG21 VAL 14 23.120 4.596 -1.682 122 HG22 VAL 14 HG22 VAL 14 24.070 3.557 -2.741 123 HG23 VAL 14 HG23 VAL 14 24.653 5.169 -2.337 124 H LEU 15 HN LEU 15 24.413 1.225 0.749 125 HA LEU 15 HA LEU 15 26.389 1.301 2.764 126 HB2 LEU 15 HB2 LEU 15 24.494 0.541 3.749 127 HB3 LEU 15 HB1 LEU 15 23.908 -0.223 2.275 128 HG LEU 15 HG LEU 15 26.261 -1.520 3.543 129 HD11 LEU 15 HD11 LEU 15 24.913 -0.888 5.522 130 HD12 LEU 15 HD12 LEU 15 24.890 -2.630 5.257 131 HD13 LEU 15 HD13 LEU 15 23.501 -1.648 4.790 132 HD21 LEU 15 HD21 LEU 15 25.331 -3.435 2.616 133 HD22 LEU 15 HD22 LEU 15 24.673 -2.217 1.525 134 HD23 LEU 15 HD23 LEU 15 23.679 -2.859 2.830 135 H LEU 16 HN LEU 16 25.807 -1.138 0.222 136 HA LEU 16 HA LEU 16 27.778 -3.017 0.934 137 HB2 LEU 16 HB2 LEU 16 26.796 -2.038 -1.746 138 HB3 LEU 16 HB1 LEU 16 28.048 -3.277 -1.634 139 HG LEU 16 HG LEU 16 25.460 -3.544 -0.094 140 HD11 LEU 16 HD11 LEU 16 24.501 -4.794 -1.929 141 HD12 LEU 16 HD12 LEU 16 25.968 -4.602 -2.887 142 HD13 LEU 16 HD13 LEU 16 24.956 -3.201 -2.531 143 HD21 LEU 16 HD21 LEU 16 26.058 -5.819 0.075 144 HD22 LEU 16 HD22 LEU 16 27.600 -4.984 0.262 145 HD23 LEU 16 HD23 LEU 16 27.179 -5.723 -1.283 146 H ILE 17 HN ILE 17 28.190 0.269 0.057 147 HA ILE 17 HA ILE 17 31.139 -0.163 0.031 148 HB ILE 17 HB ILE 17 29.739 1.889 -1.706 149 HG12 ILE 17 HG12 ILE 17 30.943 -0.714 -2.676 150 HG13 ILE 17 HG11 ILE 17 29.232 -0.571 -2.281 151 HG21 ILE 17 HG21 ILE 17 32.186 1.271 -2.826 152 HG22 ILE 17 HG22 ILE 17 32.533 1.170 -1.102 153 HG23 ILE 17 HG23 ILE 17 31.878 2.658 -1.783 154 HD11 ILE 17 HD11 ILE 17 29.542 -0.173 -4.670 155 HD12 ILE 17 HD12 ILE 17 30.741 1.073 -4.336 156 HD13 ILE 17 HD13 ILE 17 29.053 1.328 -3.888 157 H CYS 18 HN CYS 18 28.999 0.712 2.005 158 HA CYS 18 HA CYS 18 30.466 3.045 3.050 159 HB2 CYS 18 HB2 CYS 18 27.618 3.181 2.083 160 HB3 CYS 18 HB1 CYS 18 28.204 4.267 3.341 161 HG CYS 18 HG CYS 18 29.860 4.192 0.722 162 H TRP 19 HN TRP 19 28.469 0.317 3.425 163 HA TRP 19 HA TRP 19 26.975 0.117 5.550 164 HB2 TRP 19 HB2 TRP 19 29.115 -1.541 6.433 165 HB3 TRP 19 HB1 TRP 19 27.695 -2.009 5.504 166 HD1 TRP 19 HD1 TRP 19 28.433 -3.310 3.454 167 HE1 TRP 19 HE1 TRP 19 30.290 -3.065 1.676 168 HE3 TRP 19 HE3 TRP 19 30.895 0.765 5.291 169 HZ2 TRP 19 HZ2 TRP 19 32.505 -1.373 1.109 170 HZ3 TRP 19 HZ3 TRP 19 32.867 1.679 4.103 171 HH2 TRP 19 HH2 TRP 19 33.672 0.617 2.017 172 H PHE 20 HN PHE 20 30.208 -0.284 6.898 173 HA PHE 20 HA PHE 20 29.988 2.154 8.506 174 HB2 PHE 20 HB2 PHE 20 28.969 -0.388 9.494 175 HB3 PHE 20 HB1 PHE 20 30.265 0.228 10.520 176 HD1 PHE 20 HD2 PHE 20 30.141 2.702 11.242 177 HD2 PHE 20 HD1 PHE 20 26.798 0.518 9.655 178 HE1 PHE 20 HE2 PHE 20 28.592 4.355 12.241 179 HE2 PHE 20 HE1 PHE 20 25.244 2.167 10.664 180 HZ PHE 20 HZ PHE 20 26.141 4.087 11.961 181 HA PRO 21 HA PRO 21 34.090 0.266 9.759 182 HB2 PRO 21 HB2 PRO 21 34.569 -2.383 9.727 183 HB3 PRO 21 HB1 PRO 21 33.559 -1.639 10.983 184 HG2 PRO 21 HG2 PRO 21 32.758 -3.214 8.593 185 HG3 PRO 21 HG1 PRO 21 32.044 -3.172 10.210 186 HD2 PRO 21 HD2 PRO 21 31.060 -1.788 7.979 187 HD3 PRO 21 HD1 PRO 21 30.651 -1.453 9.673 188 H VAL 22 HN VAL 22 33.038 -1.755 7.028 189 HA VAL 22 HA VAL 22 35.476 -2.338 5.846 190 HB VAL 22 HB VAL 22 33.045 -1.528 4.246 191 HG11 VAL 22 HG11 VAL 22 34.112 -2.499 2.525 192 HG12 VAL 22 HG12 VAL 22 34.386 -3.966 3.466 193 HG13 VAL 22 HG13 VAL 22 35.541 -2.634 3.549 194 HG21 VAL 22 HG21 VAL 22 32.019 -2.952 5.770 195 HG22 VAL 22 HG22 VAL 22 33.498 -3.869 6.065 196 HG23 VAL 22 HG23 VAL 22 32.587 -4.117 4.575 197 H LEU 23 HN LEU 23 34.072 0.816 6.153 198 HA LEU 23 HA LEU 23 35.184 2.075 3.864 199 HB2 LEU 23 HB2 LEU 23 34.945 4.157 5.035 200 HB3 LEU 23 HB1 LEU 23 33.593 3.141 5.515 201 HG LEU 23 HG LEU 23 35.234 2.433 7.476 202 HD11 LEU 23 HD11 LEU 23 37.097 3.682 7.742 203 HD12 LEU 23 HD12 LEU 23 36.173 5.177 7.608 204 HD13 LEU 23 HD13 LEU 23 36.783 4.386 6.155 205 HD21 LEU 23 HD21 LEU 23 33.992 5.194 7.555 206 HD22 LEU 23 HD22 LEU 23 34.145 4.036 8.875 207 HD23 LEU 23 HD23 LEU 23 33.017 3.726 7.558 208 H ALA 24 HN ALA 24 36.660 1.257 6.985 209 HA ALA 24 HA ALA 24 39.191 2.565 6.306 210 HB1 ALA 24 HB1 ALA 24 38.917 2.390 8.629 211 HB2 ALA 24 HB2 ALA 24 39.981 1.025 8.287 212 HB3 ALA 24 HB3 ALA 24 38.255 0.758 8.527 213 H LEU 25 HN LEU 25 37.867 -0.701 6.269 214 HA LEU 25 HA LEU 25 40.327 -1.953 5.370 215 HB2 LEU 25 HB2 LEU 25 37.431 -2.841 5.456 216 HB3 LEU 25 HB1 LEU 25 38.690 -3.850 4.754 217 HG LEU 25 HG LEU 25 38.170 -4.340 7.191 218 HD11 LEU 25 HD11 LEU 25 40.978 -3.445 6.477 219 HD12 LEU 25 HD12 LEU 25 40.294 -5.050 6.229 220 HD13 LEU 25 HD13 LEU 25 40.568 -4.451 7.864 221 HD21 LEU 25 HD21 LEU 25 37.909 -1.885 7.800 222 HD22 LEU 25 HD22 LEU 25 39.667 -1.754 7.699 223 HD23 LEU 25 HD23 LEU 25 38.928 -2.822 8.894 224 H MET 26 HN MET 26 37.248 -1.124 3.767 225 HA MET 26 HA MET 26 37.787 -1.885 1.157 226 HB2 MET 26 HB2 MET 26 35.658 -0.863 1.867 227 HB3 MET 26 HB1 MET 26 36.460 0.696 2.048 228 HG2 MET 26 HG2 MET 26 36.588 -0.763 -0.585 229 HG3 MET 26 HG1 MET 26 35.167 0.194 -0.171 230 HE1 MET 26 HE1 MET 26 37.081 0.788 -2.713 231 HE2 MET 26 HE2 MET 26 36.938 2.541 -2.636 232 HE3 MET 26 HE3 MET 26 35.542 1.535 -2.264 233 H ALA 27 HN ALA 27 38.881 1.089 2.771 234 HA ALA 27 HA ALA 27 40.130 2.302 0.523 235 HB1 ALA 27 HB1 ALA 27 40.864 2.408 3.464 236 HB2 ALA 27 HB2 ALA 27 39.831 3.541 2.591 237 HB3 ALA 27 HB3 ALA 27 41.555 3.462 2.231 238 H HIS 28 HN HIS 28 41.024 -0.443 2.420 239 HA HIS 28 HA HIS 28 43.646 -0.587 0.973 240 HB2 HIS 28 HB2 HIS 28 44.231 -0.259 3.254 241 HB3 HIS 28 HB1 HIS 28 42.930 -1.300 3.826 242 HD1 HIS 28 HD1 HIS 28 45.679 -1.927 1.241 243 HD2 HIS 28 HD2 HIS 28 44.166 -3.575 4.770 244 HE1 HIS 28 HE1 HIS 28 46.985 -4.063 1.661 245 HE2 HIS 28 HE2 HIS 28 46.069 -5.077 3.800 246 H SER 29 HN SER 29 41.554 -2.740 2.903 247 HA SER 29 HA SER 29 42.068 -5.177 1.674 248 HB2 SER 29 HB2 SER 29 39.324 -4.183 2.499 249 HB3 SER 29 HB1 SER 29 39.839 -5.861 2.405 250 HG SER 29 HG SER 29 41.450 -5.291 4.006 251 H LEU 30 HN LEU 30 40.063 -2.521 0.499 252 HA LEU 30 HA LEU 30 39.797 -4.010 -2.085 253 HB2 LEU 30 HB2 LEU 30 37.746 -2.878 -0.503 254 HB3 LEU 30 HB1 LEU 30 37.954 -1.781 -1.866 255 HG LEU 30 HG LEU 30 37.630 -4.783 -2.138 256 HD11 LEU 30 HD11 LEU 30 35.338 -4.213 -2.955 257 HD12 LEU 30 HD12 LEU 30 35.612 -2.541 -2.462 258 HD13 LEU 30 HD13 LEU 30 35.571 -3.823 -1.251 259 HD21 LEU 30 HD21 LEU 30 37.053 -4.002 -4.538 260 HD22 LEU 30 HD22 LEU 30 38.748 -3.944 -4.062 261 HD23 LEU 30 HD23 LEU 30 37.788 -2.469 -4.077 262 H ALA 31 HN ALA 31 42.091 -2.510 -1.322 263 HA ALA 31 HA ALA 31 42.138 0.175 -2.198 264 HB1 ALA 31 HB1 ALA 31 44.182 -0.409 -1.297 265 HB2 ALA 31 HB2 ALA 31 44.576 -0.623 -3.004 266 HB3 ALA 31 HB3 ALA 31 44.153 -2.020 -2.012 267 H THR 32 HN THR 32 41.102 0.712 -4.068 268 HA THR 32 HA THR 32 40.758 -0.975 -6.300 269 HB THR 32 HB THR 32 40.241 1.184 -7.532 270 HG1 THR 32 HG1 THR 32 41.823 2.226 -5.854 271 HG21 THR 32 HG21 THR 32 38.223 1.530 -6.347 272 HG22 THR 32 HG22 THR 32 38.966 1.138 -4.799 273 HG23 THR 32 HG23 THR 32 38.660 -0.136 -5.978 274 H THR 33 HN THR 33 42.411 -1.843 -7.438 275 HA THR 33 HA THR 33 45.047 -0.762 -7.614 276 HB THR 33 HB THR 33 45.306 -2.455 -9.465 277 HG1 THR 33 HG1 THR 33 43.119 -2.229 -10.194 278 HG21 THR 33 HG21 THR 33 45.071 -4.359 -8.017 279 HG22 THR 33 HG22 THR 33 43.817 -3.558 -7.071 280 HG23 THR 33 HG23 THR 33 45.483 -2.989 -6.987 Start of MODEL 10 1 H1 ASP 1 HT1 ASP 1 6.948 -1.851 2.347 2 H2 ASP 1 HT2 ASP 1 7.070 -1.522 0.679 3 H3 ASP 1 HT3 ASP 1 6.182 -0.488 1.693 4 HA ASP 1 HA ASP 1 8.928 -0.847 2.500 5 HB2 ASP 1 HB2 ASP 1 8.377 0.875 0.078 6 HB3 ASP 1 HB1 ASP 1 9.935 0.389 0.740 7 H VAL 2 HN VAL 2 9.576 1.153 3.531 8 HA VAL 2 HA VAL 2 7.514 2.773 4.650 9 HB VAL 2 HB VAL 2 9.474 4.465 4.948 10 HG11 VAL 2 HG11 VAL 2 8.872 3.138 6.813 11 HG12 VAL 2 HG12 VAL 2 10.592 2.818 6.599 12 HG13 VAL 2 HG13 VAL 2 9.400 1.648 6.032 13 HG21 VAL 2 HG21 VAL 2 10.727 3.253 2.992 14 HG22 VAL 2 HG22 VAL 2 11.168 2.073 4.225 15 HG23 VAL 2 HG23 VAL 2 11.653 3.759 4.402 16 H ARG 3 HN ARG 3 9.332 2.972 1.669 17 HA ARG 3 HA ARG 3 7.337 4.935 0.688 18 HB2 ARG 3 HB2 ARG 3 9.821 5.501 -0.634 19 HB3 ARG 3 HB1 ARG 3 8.840 6.583 0.352 20 HG2 ARG 3 HG2 ARG 3 9.945 5.468 2.390 21 HG3 ARG 3 HG1 ARG 3 11.102 4.788 1.242 22 HD2 ARG 3 HD2 ARG 3 12.055 6.836 0.772 23 HD3 ARG 3 HD1 ARG 3 10.557 7.721 1.054 24 HE ARG 3 HE ARG 3 12.604 7.170 3.032 25 HH11 ARG 3 HH21 ARG 3 9.224 7.579 2.466 26 HH12 ARG 3 HH22 ARG 3 8.885 8.112 4.078 27 HH21 ARG 3 HH11 ARG 3 12.182 7.865 5.130 28 HH22 ARG 3 HH12 ARG 3 10.562 8.277 5.589 29 H LEU 4 HN LEU 4 10.283 3.484 -0.693 30 HA LEU 4 HA LEU 4 8.872 1.388 -2.078 31 HB2 LEU 4 HB2 LEU 4 8.454 3.731 -3.345 32 HB3 LEU 4 HB1 LEU 4 10.017 3.321 -4.050 33 HG LEU 4 HG LEU 4 9.077 1.052 -4.629 34 HD11 LEU 4 HD11 LEU 4 7.250 0.742 -3.172 35 HD12 LEU 4 HD12 LEU 4 6.472 1.112 -4.712 36 HD13 LEU 4 HD13 LEU 4 6.618 2.361 -3.476 37 HD21 LEU 4 HD21 LEU 4 9.149 2.598 -6.426 38 HD22 LEU 4 HD22 LEU 4 7.870 3.594 -5.727 39 HD23 LEU 4 HD23 LEU 4 7.482 2.021 -6.422 40 H ALA 5 HN ALA 5 10.373 -0.124 -2.808 41 HA ALA 5 HA ALA 5 12.888 -0.329 -1.749 42 HB1 ALA 5 HB1 ALA 5 13.497 -1.731 -3.797 43 HB2 ALA 5 HB2 ALA 5 11.924 -1.279 -4.456 44 HB3 ALA 5 HB3 ALA 5 12.019 -2.204 -2.956 45 H LYS 6 HN LYS 6 12.187 1.154 -4.895 46 HA LYS 6 HA LYS 6 14.731 1.866 -5.752 47 HB2 LYS 6 HB2 LYS 6 12.213 2.418 -6.616 48 HB3 LYS 6 HB1 LYS 6 12.674 3.999 -5.991 49 HG2 LYS 6 HG2 LYS 6 14.617 2.514 -7.730 50 HG3 LYS 6 HG1 LYS 6 13.244 3.319 -8.486 51 HD2 LYS 6 HD2 LYS 6 14.482 5.207 -8.426 52 HD3 LYS 6 HD1 LYS 6 14.185 5.224 -6.690 53 HE2 LYS 6 HE2 LYS 6 16.282 3.389 -7.031 54 HE3 LYS 6 HE1 LYS 6 16.663 4.716 -8.122 55 HZ1 LYS 6 HZ1 LYS 6 16.290 4.769 -5.200 56 HZ2 LYS 6 HZ2 LYS 6 16.052 6.182 -6.122 57 HZ3 LYS 6 HZ3 LYS 6 17.561 5.407 -6.130 58 H THR 7 HN THR 7 12.718 3.499 -3.332 59 HA THR 7 HA THR 7 14.641 5.648 -2.878 60 HB THR 7 HB THR 7 12.949 5.184 -0.600 61 HG1 THR 7 HG1 THR 7 11.708 3.927 -2.028 62 HG21 THR 7 HG21 THR 7 11.878 7.331 -1.578 63 HG22 THR 7 HG22 THR 7 13.138 7.226 -2.810 64 HG23 THR 7 HG23 THR 7 13.578 7.393 -1.110 65 H LEU 8 HN LEU 8 14.440 2.385 -2.041 66 HA LEU 8 HA LEU 8 16.128 2.733 0.389 67 HB2 LEU 8 HB2 LEU 8 14.503 0.393 -0.655 68 HB3 LEU 8 HB1 LEU 8 15.477 0.349 0.804 69 HG LEU 8 HG LEU 8 13.316 2.417 0.389 70 HD11 LEU 8 HD11 LEU 8 11.966 0.903 1.941 71 HD12 LEU 8 HD12 LEU 8 13.127 -0.367 1.556 72 HD13 LEU 8 HD13 LEU 8 12.138 0.340 0.278 73 HD21 LEU 8 HD21 LEU 8 13.894 1.484 3.097 74 HD22 LEU 8 HD22 LEU 8 13.899 3.126 2.457 75 HD23 LEU 8 HD23 LEU 8 15.334 2.119 2.304 76 H GLY 9 HN GLY 9 15.877 0.988 -2.677 77 HA2 GLY 9 HA2 GLY 9 18.102 -0.651 -2.615 78 HA3 GLY 9 HA1 GLY 9 17.570 0.167 -4.081 79 H LEU 10 HN LEU 10 18.084 2.783 -3.612 80 HA LEU 10 HA LEU 10 20.859 3.055 -4.077 81 HB2 LEU 10 HB2 LEU 10 18.589 4.836 -3.665 82 HB3 LEU 10 HB1 LEU 10 20.051 5.486 -2.926 83 HG LEU 10 HG LEU 10 21.267 5.130 -5.059 84 HD11 LEU 10 HD11 LEU 10 18.678 3.854 -5.756 85 HD12 LEU 10 HD12 LEU 10 20.307 3.483 -6.318 86 HD13 LEU 10 HD13 LEU 10 19.420 4.835 -7.021 87 HD21 LEU 10 HD21 LEU 10 18.706 6.741 -5.338 88 HD22 LEU 10 HD22 LEU 10 20.166 6.952 -6.300 89 HD23 LEU 10 HD23 LEU 10 20.190 7.302 -4.575 90 H VAL 11 HN VAL 11 19.084 3.896 -1.081 91 HA VAL 11 HA VAL 11 21.295 4.479 0.533 92 HB VAL 11 HB VAL 11 19.064 2.853 1.711 93 HG11 VAL 11 HG11 VAL 11 19.330 4.322 3.548 94 HG12 VAL 11 HG12 VAL 11 20.147 5.541 2.568 95 HG13 VAL 11 HG13 VAL 11 20.975 4.037 2.980 96 HG21 VAL 11 HG21 VAL 11 18.791 5.569 0.401 97 HG22 VAL 11 HG22 VAL 11 17.706 5.039 1.685 98 HG23 VAL 11 HG23 VAL 11 17.781 4.142 0.169 99 H LEU 12 HN LEU 12 19.770 1.303 -0.023 100 HA LEU 12 HA LEU 12 21.660 -0.226 1.504 101 HB2 LEU 12 HB2 LEU 12 19.949 -0.946 -0.894 102 HB3 LEU 12 HB1 LEU 12 20.921 -2.121 -0.004 103 HG LEU 12 HG LEU 12 19.027 -0.334 1.500 104 HD11 LEU 12 HD11 LEU 12 17.646 -1.266 -0.283 105 HD12 LEU 12 HD12 LEU 12 17.276 -2.088 1.234 106 HD13 LEU 12 HD13 LEU 12 18.288 -2.879 0.028 107 HD21 LEU 12 HD21 LEU 12 20.394 -1.644 2.918 108 HD22 LEU 12 HD22 LEU 12 20.284 -3.057 1.867 109 HD23 LEU 12 HD23 LEU 12 18.890 -2.559 2.825 110 H ALA 13 HN ALA 13 21.452 0.268 -2.038 111 HA ALA 13 HA ALA 13 23.913 -0.916 -2.747 112 HB1 ALA 13 HB1 ALA 13 22.140 -0.059 -4.334 113 HB2 ALA 13 HB2 ALA 13 23.786 0.373 -4.790 114 HB3 ALA 13 HB3 ALA 13 22.740 1.570 -4.028 115 H VAL 14 HN VAL 14 23.236 2.309 -1.479 116 HA VAL 14 HA VAL 14 25.965 3.239 -1.903 117 HB VAL 14 HB VAL 14 23.700 4.354 -0.213 118 HG11 VAL 14 HG11 VAL 14 25.123 6.478 -0.400 119 HG12 VAL 14 HG12 VAL 14 26.446 5.425 -0.896 120 HG13 VAL 14 HG13 VAL 14 25.724 5.239 0.701 121 HG21 VAL 14 HG21 VAL 14 23.087 5.601 -2.055 122 HG22 VAL 14 HG22 VAL 14 23.747 4.197 -2.896 123 HG23 VAL 14 HG23 VAL 14 24.728 5.649 -2.697 124 H LEU 15 HN LEU 15 24.070 2.284 0.999 125 HA LEU 15 HA LEU 15 26.318 2.469 2.768 126 HB2 LEU 15 HB2 LEU 15 24.502 2.278 4.107 127 HB3 LEU 15 HB1 LEU 15 23.567 1.423 2.885 128 HG LEU 15 HG LEU 15 25.768 -0.169 4.042 129 HD11 LEU 15 HD11 LEU 15 24.566 -0.583 6.165 130 HD12 LEU 15 HD12 LEU 15 23.426 0.699 5.756 131 HD13 LEU 15 HD13 LEU 15 25.123 1.086 6.046 132 HD21 LEU 15 HD21 LEU 15 24.086 -1.896 4.015 133 HD22 LEU 15 HD22 LEU 15 23.902 -0.976 2.524 134 HD23 LEU 15 HD23 LEU 15 22.792 -0.707 3.866 135 H LEU 16 HN LEU 16 24.963 -0.238 0.880 136 HA LEU 16 HA LEU 16 26.684 -2.289 1.744 137 HB2 LEU 16 HB2 LEU 16 25.493 -1.694 -0.968 138 HB3 LEU 16 HB1 LEU 16 26.489 -3.124 -0.690 139 HG LEU 16 HG LEU 16 23.986 -2.406 0.876 140 HD11 LEU 16 HD11 LEU 16 23.382 -3.083 -1.365 141 HD12 LEU 16 HD12 LEU 16 23.058 -4.435 -0.280 142 HD13 LEU 16 HD13 LEU 16 24.494 -4.451 -1.305 143 HD21 LEU 16 HD21 LEU 16 25.083 -3.735 2.393 144 HD22 LEU 16 HD22 LEU 16 26.104 -4.482 1.165 145 HD23 LEU 16 HD23 LEU 16 24.438 -5.025 1.379 146 H ILE 17 HN ILE 17 27.475 0.599 0.089 147 HA ILE 17 HA ILE 17 30.259 -0.410 -0.236 148 HB ILE 17 HB ILE 17 28.878 -0.149 -2.413 149 HG12 ILE 17 HG12 ILE 17 31.425 1.479 -2.279 150 HG13 ILE 17 HG11 ILE 17 31.416 -0.281 -2.174 151 HG21 ILE 17 HG21 ILE 17 29.458 2.773 -1.844 152 HG22 ILE 17 HG22 ILE 17 27.859 2.031 -1.814 153 HG23 ILE 17 HG23 ILE 17 28.763 2.117 -3.325 154 HD11 ILE 17 HD11 ILE 17 31.543 1.121 -4.525 155 HD12 ILE 17 HD12 ILE 17 29.814 0.811 -4.396 156 HD13 ILE 17 HD13 ILE 17 30.952 -0.534 -4.386 157 H CYS 18 HN CYS 18 28.587 1.302 1.732 158 HA CYS 18 HA CYS 18 30.709 3.205 2.311 159 HB2 CYS 18 HB2 CYS 18 28.645 4.089 0.593 160 HB3 CYS 18 HB1 CYS 18 28.315 4.811 2.166 161 HG CYS 18 HG CYS 18 31.175 5.077 0.957 162 H TRP 19 HN TRP 19 28.880 1.026 3.440 163 HA TRP 19 HA TRP 19 27.101 1.860 5.382 164 HB2 TRP 19 HB2 TRP 19 28.747 -0.125 6.638 165 HB3 TRP 19 HB1 TRP 19 27.169 -0.324 5.901 166 HD1 TRP 19 HD1 TRP 19 27.321 -2.321 4.355 167 HE1 TRP 19 HE1 TRP 19 28.924 -3.089 2.484 168 HE3 TRP 19 HE3 TRP 19 30.939 1.262 4.753 169 HZ2 TRP 19 HZ2 TRP 19 31.402 -2.291 1.312 170 HZ3 TRP 19 HZ3 TRP 19 32.903 1.238 3.242 171 HH2 TRP 19 HH2 TRP 19 33.139 -0.534 1.526 172 H PHE 20 HN PHE 20 30.010 0.793 7.011 173 HA PHE 20 HA PHE 20 30.554 3.528 7.984 174 HB2 PHE 20 HB2 PHE 20 30.275 1.572 10.197 175 HB3 PHE 20 HB1 PHE 20 29.856 3.275 10.136 176 HD1 PHE 20 HD1 PHE 20 27.781 3.951 8.752 177 HD2 PHE 20 HD2 PHE 20 28.568 -0.076 10.027 178 HE1 PHE 20 HE1 PHE 20 25.394 3.376 8.416 179 HE2 PHE 20 HE2 PHE 20 26.186 -0.651 9.687 180 HZ PHE 20 HZ PHE 20 24.594 1.072 8.882 181 HA PRO 21 HA PRO 21 34.098 0.876 9.485 182 HB2 PRO 21 HB2 PRO 21 33.883 -1.818 9.735 183 HB3 PRO 21 HB1 PRO 21 33.198 -0.691 10.917 184 HG2 PRO 21 HG2 PRO 21 31.843 -2.383 8.945 185 HG3 PRO 21 HG1 PRO 21 31.212 -1.638 10.421 186 HD2 PRO 21 HD2 PRO 21 30.911 -0.707 7.698 187 HD3 PRO 21 HD1 PRO 21 30.246 0.003 9.179 188 H VAL 22 HN VAL 22 32.610 -1.263 7.048 189 HA VAL 22 HA VAL 22 34.947 -2.372 5.984 190 HB VAL 22 HB VAL 22 32.524 -1.625 4.330 191 HG11 VAL 22 HG11 VAL 22 33.071 -3.702 3.141 192 HG12 VAL 22 HG12 VAL 22 34.408 -4.004 4.251 193 HG13 VAL 22 HG13 VAL 22 34.470 -2.628 3.147 194 HG21 VAL 22 HG21 VAL 22 31.399 -2.696 6.030 195 HG22 VAL 22 HG22 VAL 22 32.837 -3.557 6.580 196 HG23 VAL 22 HG23 VAL 22 31.959 -4.124 5.159 197 H LEU 23 HN LEU 23 33.781 0.883 5.676 198 HA LEU 23 HA LEU 23 35.143 1.563 3.245 199 HB2 LEU 23 HB2 LEU 23 34.835 3.838 3.841 200 HB3 LEU 23 HB1 LEU 23 33.426 3.001 4.479 201 HG LEU 23 HG LEU 23 34.897 2.812 6.665 202 HD11 LEU 23 HD11 LEU 23 35.976 5.456 6.118 203 HD12 LEU 23 HD12 LEU 23 36.641 4.269 4.999 204 HD13 LEU 23 HD13 LEU 23 36.802 4.028 6.738 205 HD21 LEU 23 HD21 LEU 23 33.675 5.445 5.774 206 HD22 LEU 23 HD22 LEU 23 33.920 4.926 7.443 207 HD23 LEU 23 HD23 LEU 23 32.767 4.075 6.415 208 H ALA 24 HN ALA 24 36.168 1.421 6.627 209 HA ALA 24 HA ALA 24 38.802 2.493 6.262 210 HB1 ALA 24 HB1 ALA 24 37.856 2.149 8.506 211 HB2 ALA 24 HB2 ALA 24 39.358 1.236 8.338 212 HB3 ALA 24 HB3 ALA 24 37.805 0.406 8.233 213 H LEU 25 HN LEU 25 37.337 -0.539 5.438 214 HA LEU 25 HA LEU 25 39.989 -1.753 4.849 215 HB2 LEU 25 HB2 LEU 25 37.164 -2.814 4.971 216 HB3 LEU 25 HB1 LEU 25 38.430 -3.719 4.143 217 HG LEU 25 HG LEU 25 39.817 -3.502 6.268 218 HD11 LEU 25 HD11 LEU 25 38.845 -1.779 7.517 219 HD12 LEU 25 HD12 LEU 25 38.199 -3.211 8.320 220 HD13 LEU 25 HD13 LEU 25 37.201 -2.318 7.170 221 HD21 LEU 25 HD21 LEU 25 37.174 -4.991 6.377 222 HD22 LEU 25 HD22 LEU 25 38.541 -5.299 7.449 223 HD23 LEU 25 HD23 LEU 25 38.694 -5.599 5.717 224 H MET 26 HN MET 26 36.911 -0.912 3.306 225 HA MET 26 HA MET 26 37.539 -1.574 0.645 226 HB2 MET 26 HB2 MET 26 35.303 -0.872 1.313 227 HB3 MET 26 HB1 MET 26 35.891 0.740 1.715 228 HG2 MET 26 HG2 MET 26 36.412 -0.300 -1.040 229 HG3 MET 26 HG1 MET 26 34.774 0.220 -0.651 230 HE1 MET 26 HE1 MET 26 34.383 2.211 -2.006 231 HE2 MET 26 HE2 MET 26 34.783 3.767 -1.282 232 HE3 MET 26 HE3 MET 26 33.985 2.530 -0.312 233 H ALA 27 HN ALA 27 38.378 1.328 2.515 234 HA ALA 27 HA ALA 27 39.692 2.551 0.181 235 HB1 ALA 27 HB1 ALA 27 40.210 4.393 1.713 236 HB2 ALA 27 HB2 ALA 27 39.669 3.429 3.088 237 HB3 ALA 27 HB3 ALA 27 38.511 3.947 1.861 238 H HIS 28 HN HIS 28 40.603 0.032 1.996 239 HA HIS 28 HA HIS 28 43.485 0.642 1.618 240 HB2 HIS 28 HB2 HIS 28 43.680 1.103 3.842 241 HB3 HIS 28 HB1 HIS 28 42.122 0.380 4.219 242 HD1 HIS 28 HD1 HIS 28 45.776 -0.505 3.788 243 HD2 HIS 28 HD2 HIS 28 42.236 -2.301 5.089 244 HE1 HIS 28 HE1 HIS 28 46.432 -2.715 4.854 245 HE2 HIS 28 HE2 HIS 28 44.288 -3.802 5.670 246 H SER 29 HN SER 29 41.403 -1.858 3.083 247 HA SER 29 HA SER 29 42.901 -4.092 2.104 248 HB2 SER 29 HB2 SER 29 40.729 -3.759 3.773 249 HB3 SER 29 HB1 SER 29 39.983 -4.482 2.353 250 HG SER 29 HG SER 29 40.784 -6.288 3.053 251 H LEU 30 HN LEU 30 40.383 -2.070 0.713 252 HA LEU 30 HA LEU 30 40.599 -3.658 -1.819 253 HB2 LEU 30 HB2 LEU 30 38.300 -3.035 -0.414 254 HB3 LEU 30 HB1 LEU 30 38.359 -1.753 -1.623 255 HG LEU 30 HG LEU 30 38.680 -4.690 -2.300 256 HD11 LEU 30 HD11 LEU 30 36.426 -4.103 -1.282 257 HD12 LEU 30 HD12 LEU 30 36.361 -4.737 -2.925 258 HD13 LEU 30 HD13 LEU 30 36.184 -3.006 -2.642 259 HD21 LEU 30 HD21 LEU 30 38.109 -3.855 -4.584 260 HD22 LEU 30 HD22 LEU 30 39.594 -3.142 -3.960 261 HD23 LEU 30 HD23 LEU 30 38.100 -2.209 -3.951 262 H ALA 31 HN ALA 31 42.331 -1.434 -0.754 263 HA ALA 31 HA ALA 31 41.721 0.943 -2.299 264 HB1 ALA 31 HB1 ALA 31 44.131 1.529 -1.767 265 HB2 ALA 31 HB2 ALA 31 44.249 -0.026 -0.945 266 HB3 ALA 31 HB3 ALA 31 43.120 1.197 -0.361 267 H THR 32 HN THR 32 41.624 -1.406 -3.946 268 HA THR 32 HA THR 32 43.873 -2.121 -5.398 269 HB THR 32 HB THR 32 42.317 -2.422 -7.352 270 HG1 THR 32 HG1 THR 32 40.500 -1.387 -7.372 271 HG21 THR 32 HG21 THR 32 41.751 -3.388 -4.586 272 HG22 THR 32 HG22 THR 32 42.180 -4.302 -6.031 273 HG23 THR 32 HG23 THR 32 40.535 -3.710 -5.822 274 H THR 33 HN THR 33 41.664 0.431 -6.571 275 HA THR 33 HA THR 33 42.112 2.381 -7.792 276 HB THR 33 HB THR 33 44.870 2.578 -6.697 277 HG1 THR 33 HG1 THR 33 43.983 1.593 -4.952 278 HG21 THR 33 HG21 THR 33 42.545 4.456 -6.290 279 HG22 THR 33 HG22 THR 33 43.388 4.389 -7.839 280 HG23 THR 33 HG23 THR 33 44.267 4.834 -6.376 Start of MODEL 11 1 H1 ASP 1 HT1 ASP 1 7.274 -3.097 0.882 2 H2 ASP 1 HT2 ASP 1 8.758 -3.521 0.172 3 H3 ASP 1 HT3 ASP 1 7.405 -3.204 -0.804 4 HA ASP 1 HA ASP 1 9.186 -1.394 -0.574 5 HB2 ASP 1 HB2 ASP 1 6.234 -0.868 -0.113 6 HB3 ASP 1 HB1 ASP 1 7.400 0.353 -0.621 7 H VAL 2 HN VAL 2 10.478 -0.885 1.166 8 HA VAL 2 HA VAL 2 9.191 -0.238 3.775 9 HB VAL 2 HB VAL 2 11.348 -1.645 3.586 10 HG11 VAL 2 HG11 VAL 2 12.736 1.012 3.303 11 HG12 VAL 2 HG12 VAL 2 12.280 0.094 1.868 12 HG13 VAL 2 HG13 VAL 2 13.380 -0.609 3.051 13 HG21 VAL 2 HG21 VAL 2 11.565 0.885 5.237 14 HG22 VAL 2 HG22 VAL 2 12.236 -0.701 5.611 15 HG23 VAL 2 HG23 VAL 2 10.491 -0.454 5.650 16 H ARG 3 HN ARG 3 9.301 1.142 1.011 17 HA ARG 3 HA ARG 3 9.140 3.866 1.780 18 HB2 ARG 3 HB2 ARG 3 11.722 3.225 2.012 19 HB3 ARG 3 HB1 ARG 3 11.690 3.405 0.264 20 HG2 ARG 3 HG2 ARG 3 12.319 5.503 1.422 21 HG3 ARG 3 HG1 ARG 3 10.853 5.680 0.461 22 HD2 ARG 3 HD2 ARG 3 11.012 6.544 3.005 23 HD3 ARG 3 HD1 ARG 3 9.509 5.940 2.311 24 HE ARG 3 HE ARG 3 11.079 3.801 3.501 25 HH11 ARG 3 HH21 ARG 3 8.909 6.428 4.123 26 HH12 ARG 3 HH22 ARG 3 8.265 5.717 5.566 27 HH21 ARG 3 HH11 ARG 3 10.271 2.883 5.357 28 HH22 ARG 3 HH12 ARG 3 9.050 3.703 6.279 29 H LEU 4 HN LEU 4 10.488 1.825 -0.794 30 HA LEU 4 HA LEU 4 8.281 2.081 -2.557 31 HB2 LEU 4 HB2 LEU 4 9.090 4.442 -2.778 32 HB3 LEU 4 HB1 LEU 4 10.659 3.834 -3.285 33 HG LEU 4 HG LEU 4 9.549 2.654 -5.189 34 HD11 LEU 4 HD11 LEU 4 7.137 4.007 -3.985 35 HD12 LEU 4 HD12 LEU 4 7.320 2.326 -4.489 36 HD13 LEU 4 HD13 LEU 4 7.188 3.602 -5.700 37 HD21 LEU 4 HD21 LEU 4 9.000 4.748 -6.471 38 HD22 LEU 4 HD22 LEU 4 10.538 4.825 -5.612 39 HD23 LEU 4 HD23 LEU 4 9.120 5.645 -4.959 40 H ALA 5 HN ALA 5 11.595 2.443 -3.597 41 HA ALA 5 HA ALA 5 12.433 -0.260 -3.487 42 HB1 ALA 5 HB1 ALA 5 10.618 0.245 -5.637 43 HB2 ALA 5 HB2 ALA 5 11.562 -1.214 -5.343 44 HB3 ALA 5 HB3 ALA 5 12.228 0.081 -6.338 45 H LYS 6 HN LYS 6 12.425 2.674 -5.397 46 HA LYS 6 HA LYS 6 15.201 2.733 -6.112 47 HB2 LYS 6 HB2 LYS 6 12.869 4.417 -6.348 48 HB3 LYS 6 HB1 LYS 6 14.221 5.379 -5.751 49 HG2 LYS 6 HG2 LYS 6 14.507 3.520 -8.118 50 HG3 LYS 6 HG1 LYS 6 13.989 5.199 -8.295 51 HD2 LYS 6 HD2 LYS 6 16.028 6.030 -7.348 52 HD3 LYS 6 HD1 LYS 6 16.516 4.416 -6.818 53 HE2 LYS 6 HE2 LYS 6 17.757 4.701 -8.781 54 HE3 LYS 6 HE1 LYS 6 16.361 3.797 -9.347 55 HZ1 LYS 6 HZ1 LYS 6 16.586 6.756 -9.435 56 HZ2 LYS 6 HZ2 LYS 6 15.336 5.814 -10.093 57 HZ3 LYS 6 HZ3 LYS 6 16.900 5.733 -10.747 58 H THR 7 HN THR 7 13.400 4.556 -3.626 59 HA THR 7 HA THR 7 15.535 5.754 -2.323 60 HB THR 7 HB THR 7 13.893 5.227 -0.216 61 HG1 THR 7 HG1 THR 7 11.753 5.229 -1.277 62 HG21 THR 7 HG21 THR 7 14.429 7.450 -1.141 63 HG22 THR 7 HG22 THR 7 12.696 7.299 -0.848 64 HG23 THR 7 HG23 THR 7 13.331 7.160 -2.490 65 H LEU 8 HN LEU 8 13.977 2.781 -1.186 66 HA LEU 8 HA LEU 8 16.093 2.076 0.592 67 HB2 LEU 8 HB2 LEU 8 15.027 -0.181 0.551 68 HB3 LEU 8 HB1 LEU 8 13.891 1.124 0.862 69 HG LEU 8 HG LEU 8 13.758 1.002 -1.855 70 HD11 LEU 8 HD11 LEU 8 13.517 -1.867 -1.433 71 HD12 LEU 8 HD12 LEU 8 15.172 -1.318 -1.161 72 HD13 LEU 8 HD13 LEU 8 14.378 -0.996 -2.701 73 HD21 LEU 8 HD21 LEU 8 11.616 -0.009 -1.536 74 HD22 LEU 8 HD22 LEU 8 11.936 0.915 -0.068 75 HD23 LEU 8 HD23 LEU 8 12.150 -0.836 -0.072 76 H GLY 9 HN GLY 9 15.419 1.125 -2.775 77 HA2 GLY 9 HA2 GLY 9 17.516 -0.751 -3.102 78 HA3 GLY 9 HA1 GLY 9 16.859 0.242 -4.401 79 H LEU 10 HN LEU 10 17.501 2.781 -3.609 80 HA LEU 10 HA LEU 10 20.259 3.031 -4.302 81 HB2 LEU 10 HB2 LEU 10 18.187 4.883 -3.167 82 HB3 LEU 10 HB1 LEU 10 19.876 5.394 -3.168 83 HG LEU 10 HG LEU 10 18.578 4.296 -5.664 84 HD11 LEU 10 HD11 LEU 10 17.161 6.143 -5.006 85 HD12 LEU 10 HD12 LEU 10 18.212 6.701 -6.310 86 HD13 LEU 10 HD13 LEU 10 18.564 7.148 -4.640 87 HD21 LEU 10 HD21 LEU 10 20.338 5.842 -6.671 88 HD22 LEU 10 HD22 LEU 10 20.972 4.452 -5.791 89 HD23 LEU 10 HD23 LEU 10 20.972 6.048 -5.038 90 H VAL 11 HN VAL 11 18.627 3.410 -1.136 91 HA VAL 11 HA VAL 11 20.931 3.786 0.450 92 HB VAL 11 HB VAL 11 18.469 2.149 1.172 93 HG11 VAL 11 HG11 VAL 11 20.260 1.854 2.798 94 HG12 VAL 11 HG12 VAL 11 19.043 2.924 3.491 95 HG13 VAL 11 HG13 VAL 11 20.545 3.595 2.855 96 HG21 VAL 11 HG21 VAL 11 18.699 4.946 2.097 97 HG22 VAL 11 HG22 VAL 11 17.301 4.084 1.456 98 HG23 VAL 11 HG23 VAL 11 18.488 4.774 0.354 99 H LEU 12 HN LEU 12 19.364 0.723 -0.525 100 HA LEU 12 HA LEU 12 21.314 -1.016 0.629 101 HB2 LEU 12 HB2 LEU 12 19.419 -1.286 -1.710 102 HB3 LEU 12 HB1 LEU 12 20.544 -2.577 -1.293 103 HG LEU 12 HG LEU 12 18.780 -1.377 0.831 104 HD11 LEU 12 HD11 LEU 12 17.097 -3.116 0.340 105 HD12 LEU 12 HD12 LEU 12 18.020 -3.610 -1.079 106 HD13 LEU 12 HD13 LEU 12 17.278 -2.010 -1.018 107 HD21 LEU 12 HD21 LEU 12 19.701 -4.235 0.496 108 HD22 LEU 12 HD22 LEU 12 19.199 -3.411 1.972 109 HD23 LEU 12 HD23 LEU 12 20.748 -3.018 1.226 110 H ALA 13 HN ALA 13 20.989 0.000 -2.788 111 HA ALA 13 HA ALA 13 23.442 -0.990 -3.728 112 HB1 ALA 13 HB1 ALA 13 22.195 1.645 -4.567 113 HB2 ALA 13 HB2 ALA 13 21.637 0.071 -5.128 114 HB3 ALA 13 HB3 ALA 13 23.263 0.624 -5.528 115 H VAL 14 HN VAL 14 22.789 1.973 -1.919 116 HA VAL 14 HA VAL 14 25.504 2.983 -2.258 117 HB VAL 14 HB VAL 14 23.257 3.791 -0.380 118 HG11 VAL 14 HG11 VAL 14 24.826 5.954 -0.419 119 HG12 VAL 14 HG12 VAL 14 26.079 4.740 -0.687 120 HG13 VAL 14 HG13 VAL 14 25.071 4.664 0.759 121 HG21 VAL 14 HG21 VAL 14 23.264 4.112 -3.029 122 HG22 VAL 14 HG22 VAL 14 24.309 5.473 -2.627 123 HG23 VAL 14 HG23 VAL 14 22.678 5.386 -1.964 124 H LEU 15 HN LEU 15 23.691 1.554 0.491 125 HA LEU 15 HA LEU 15 25.944 1.484 2.244 126 HB2 LEU 15 HB2 LEU 15 24.253 0.866 3.603 127 HB3 LEU 15 HB1 LEU 15 23.227 0.438 2.237 128 HG LEU 15 HG LEU 15 25.442 -1.440 2.989 129 HD11 LEU 15 HD11 LEU 15 24.439 -0.934 5.150 130 HD12 LEU 15 HD12 LEU 15 23.918 -2.536 4.626 131 HD13 LEU 15 HD13 LEU 15 22.820 -1.162 4.484 132 HD21 LEU 15 HD21 LEU 15 23.220 -1.428 1.233 133 HD22 LEU 15 HD22 LEU 15 22.835 -2.587 2.504 134 HD23 LEU 15 HD23 LEU 15 24.314 -2.769 1.563 135 H LEU 16 HN LEU 16 24.719 -0.778 -0.183 136 HA LEU 16 HA LEU 16 26.433 -2.968 0.208 137 HB2 LEU 16 HB2 LEU 16 24.585 -2.435 -1.630 138 HB3 LEU 16 HB1 LEU 16 25.982 -1.945 -2.578 139 HG LEU 16 HG LEU 16 25.196 -4.385 -2.818 140 HD11 LEU 16 HD11 LEU 16 27.594 -3.242 -3.200 141 HD12 LEU 16 HD12 LEU 16 27.324 -4.967 -3.449 142 HD13 LEU 16 HD13 LEU 16 28.046 -4.393 -1.944 143 HD21 LEU 16 HD21 LEU 16 26.782 -4.866 -0.303 144 HD22 LEU 16 HD22 LEU 16 25.644 -5.936 -1.121 145 HD23 LEU 16 HD23 LEU 16 25.047 -4.551 -0.207 146 H ILE 17 HN ILE 17 27.203 0.259 -0.709 147 HA ILE 17 HA ILE 17 30.029 -0.589 -1.137 148 HB ILE 17 HB ILE 17 28.842 0.075 -3.268 149 HG12 ILE 17 HG12 ILE 17 30.997 2.078 -2.615 150 HG13 ILE 17 HG11 ILE 17 31.373 0.357 -2.715 151 HG21 ILE 17 HG21 ILE 17 28.775 2.755 -1.864 152 HG22 ILE 17 HG22 ILE 17 27.393 1.812 -2.420 153 HG23 ILE 17 HG23 ILE 17 28.499 2.530 -3.590 154 HD11 ILE 17 HD11 ILE 17 31.744 1.386 -4.896 155 HD12 ILE 17 HD12 ILE 17 30.107 2.045 -4.892 156 HD13 ILE 17 HD13 ILE 17 30.357 0.302 -4.988 157 H CYS 18 HN CYS 18 28.334 0.552 1.167 158 HA CYS 18 HA CYS 18 30.362 2.510 2.029 159 HB2 CYS 18 HB2 CYS 18 27.512 3.254 1.432 160 HB3 CYS 18 HB1 CYS 18 28.398 4.106 2.697 161 HG CYS 18 HG CYS 18 29.860 3.934 -0.011 162 H TRP 19 HN TRP 19 27.751 0.345 2.685 163 HA TRP 19 HA TRP 19 26.624 0.139 4.888 164 HB2 TRP 19 HB2 TRP 19 28.918 -1.466 5.667 165 HB3 TRP 19 HB1 TRP 19 27.313 -1.978 5.167 166 HD1 TRP 19 HD1 TRP 19 27.300 -3.343 3.038 167 HE1 TRP 19 HE1 TRP 19 28.785 -3.508 0.936 168 HE3 TRP 19 HE3 TRP 19 30.747 0.268 4.107 169 HZ2 TRP 19 HZ2 TRP 19 31.117 -2.269 -0.147 170 HZ3 TRP 19 HZ3 TRP 19 32.575 0.764 2.515 171 HH2 TRP 19 HH2 TRP 19 32.765 -0.497 0.398 172 H PHE 20 HN PHE 20 29.834 -0.294 6.232 173 HA PHE 20 HA PHE 20 29.787 2.334 7.531 174 HB2 PHE 20 HB2 PHE 20 30.096 0.156 9.536 175 HB3 PHE 20 HB1 PHE 20 29.381 1.750 9.706 176 HD1 PHE 20 HD1 PHE 20 27.075 2.173 8.657 177 HD2 PHE 20 HD2 PHE 20 28.721 -1.763 9.228 178 HE1 PHE 20 HE1 PHE 20 24.809 1.189 8.463 179 HE2 PHE 20 HE2 PHE 20 26.458 -2.738 9.025 180 HZ PHE 20 HZ PHE 20 24.500 -1.264 8.644 181 HA PRO 21 HA PRO 21 33.943 0.397 8.463 182 HB2 PRO 21 HB2 PRO 21 34.280 -2.280 8.608 183 HB3 PRO 21 HB1 PRO 21 33.457 -1.364 9.885 184 HG2 PRO 21 HG2 PRO 21 32.336 -3.221 7.906 185 HG3 PRO 21 HG1 PRO 21 31.668 -2.678 9.451 186 HD2 PRO 21 HD2 PRO 21 31.035 -1.700 6.792 187 HD3 PRO 21 HD1 PRO 21 30.301 -1.239 8.336 188 H VAL 22 HN VAL 22 32.606 -1.809 6.003 189 HA VAL 22 HA VAL 22 34.998 -2.552 4.772 190 HB VAL 22 HB VAL 22 32.493 -2.107 3.155 191 HG11 VAL 22 HG11 VAL 22 34.496 -3.062 2.062 192 HG12 VAL 22 HG12 VAL 22 33.192 -4.245 2.151 193 HG13 VAL 22 HG13 VAL 22 34.545 -4.338 3.276 194 HG21 VAL 22 HG21 VAL 22 31.453 -3.086 4.992 195 HG22 VAL 22 HG22 VAL 22 32.916 -3.935 5.499 196 HG23 VAL 22 HG23 VAL 22 31.983 -4.524 4.122 197 H LEU 23 HN LEU 23 33.641 0.591 4.815 198 HA LEU 23 HA LEU 23 34.569 1.474 2.227 199 HB2 LEU 23 HB2 LEU 23 34.497 3.781 3.281 200 HB3 LEU 23 HB1 LEU 23 32.981 2.891 3.332 201 HG LEU 23 HG LEU 23 33.978 2.091 5.693 202 HD11 LEU 23 HD11 LEU 23 35.699 3.313 6.479 203 HD12 LEU 23 HD12 LEU 23 34.859 4.817 6.113 204 HD13 LEU 23 HD13 LEU 23 35.853 4.042 4.881 205 HD21 LEU 23 HD21 LEU 23 31.835 3.152 5.518 206 HD22 LEU 23 HD22 LEU 23 32.558 4.684 5.023 207 HD23 LEU 23 HD23 LEU 23 32.756 4.108 6.678 208 H ALA 24 HN ALA 24 36.036 1.425 5.465 209 HA ALA 24 HA ALA 24 38.545 2.602 4.639 210 HB1 ALA 24 HB1 ALA 24 37.852 0.743 6.941 211 HB2 ALA 24 HB2 ALA 24 38.041 2.496 7.016 212 HB3 ALA 24 HB3 ALA 24 39.444 1.469 6.716 213 H LEU 25 HN LEU 25 37.365 -0.721 4.987 214 HA LEU 25 HA LEU 25 39.736 -2.022 4.018 215 HB2 LEU 25 HB2 LEU 25 36.813 -2.802 4.075 216 HB3 LEU 25 HB1 LEU 25 38.041 -3.864 3.394 217 HG LEU 25 HG LEU 25 39.295 -3.531 5.641 218 HD11 LEU 25 HD11 LEU 25 38.109 -1.733 6.637 219 HD12 LEU 25 HD12 LEU 25 37.574 -3.161 7.524 220 HD13 LEU 25 HD13 LEU 25 36.544 -2.459 6.279 221 HD21 LEU 25 HD21 LEU 25 38.028 -5.355 6.678 222 HD22 LEU 25 HD22 LEU 25 38.149 -5.628 4.941 223 HD23 LEU 25 HD23 LEU 25 36.647 -5.017 5.634 224 H MET 26 HN MET 26 36.728 -1.008 2.403 225 HA MET 26 HA MET 26 37.395 -1.803 -0.220 226 HB2 MET 26 HB2 MET 26 35.164 -1.025 0.365 227 HB3 MET 26 HB1 MET 26 35.780 0.584 0.730 228 HG2 MET 26 HG2 MET 26 36.338 -0.556 -1.981 229 HG3 MET 26 HG1 MET 26 34.707 0.024 -1.647 230 HE1 MET 26 HE1 MET 26 35.461 1.384 -3.808 231 HE2 MET 26 HE2 MET 26 37.206 1.147 -3.717 232 HE3 MET 26 HE3 MET 26 36.549 2.780 -3.779 233 H ALA 27 HN ALA 27 38.358 1.050 1.623 234 HA ALA 27 HA ALA 27 39.681 2.283 -0.690 235 HB1 ALA 27 HB1 ALA 27 39.655 2.952 2.265 236 HB2 ALA 27 HB2 ALA 27 38.773 3.772 0.980 237 HB3 ALA 27 HB3 ALA 27 40.529 3.897 1.061 238 H HIS 28 HN HIS 28 40.460 -0.249 1.397 239 HA HIS 28 HA HIS 28 43.340 0.032 0.673 240 HB2 HIS 28 HB2 HIS 28 43.041 0.872 3.004 241 HB3 HIS 28 HB1 HIS 28 42.359 -0.691 3.454 242 HD1 HIS 28 HD1 HIS 28 44.896 -1.445 1.050 243 HD2 HIS 28 HD2 HIS 28 44.957 -0.427 5.106 244 HE1 HIS 28 HE1 HIS 28 47.148 -2.187 1.952 245 HE2 HIS 28 HE2 HIS 28 47.191 -1.584 4.419 246 H SER 29 HN SER 29 41.226 -2.181 2.535 247 HA SER 29 HA SER 29 42.444 -4.620 1.880 248 HB2 SER 29 HB2 SER 29 39.454 -4.157 2.032 249 HB3 SER 29 HB1 SER 29 40.306 -5.657 2.365 250 HG SER 29 HG SER 29 40.469 -4.952 4.328 251 H LEU 30 HN LEU 30 40.064 -2.749 0.030 252 HA LEU 30 HA LEU 30 40.499 -4.592 -2.288 253 HB2 LEU 30 HB2 LEU 30 38.316 -2.605 -1.634 254 HB3 LEU 30 HB1 LEU 30 38.511 -3.281 -3.245 255 HG LEU 30 HG LEU 30 38.421 -5.588 -2.168 256 HD11 LEU 30 HD11 LEU 30 36.980 -5.287 0.084 257 HD12 LEU 30 HD12 LEU 30 37.969 -3.830 0.200 258 HD13 LEU 30 HD13 LEU 30 38.739 -5.415 0.101 259 HD21 LEU 30 HD21 LEU 30 35.922 -5.481 -1.870 260 HD22 LEU 30 HD22 LEU 30 36.495 -4.730 -3.360 261 HD23 LEU 30 HD23 LEU 30 36.037 -3.724 -1.984 262 H ALA 31 HN ALA 31 42.414 -2.553 -1.347 263 HA ALA 31 HA ALA 31 42.460 -0.108 -2.614 264 HB1 ALA 31 HB1 ALA 31 44.570 -2.133 -2.023 265 HB2 ALA 31 HB2 ALA 31 44.435 -0.459 -1.482 266 HB3 ALA 31 HB3 ALA 31 45.005 -0.815 -3.114 267 H THR 32 HN THR 32 41.649 0.233 -4.633 268 HA THR 32 HA THR 32 42.954 -1.188 -6.893 269 HB THR 32 HB THR 32 40.410 -1.005 -7.844 270 HG1 THR 32 HG1 THR 32 40.249 -1.547 -5.049 271 HG21 THR 32 HG21 THR 32 41.542 -3.288 -6.194 272 HG22 THR 32 HG22 THR 32 41.823 -3.012 -7.913 273 HG23 THR 32 HG23 THR 32 40.208 -3.423 -7.339 274 H THR 33 HN THR 33 40.340 1.183 -6.301 275 HA THR 33 HA THR 33 41.945 3.207 -7.784 276 HB THR 33 HB THR 33 39.935 3.941 -8.991 277 HG1 THR 33 HG1 THR 33 38.634 2.930 -7.127 278 HG21 THR 33 HG21 THR 33 40.121 0.939 -9.304 279 HG22 THR 33 HG22 THR 33 41.393 2.025 -9.856 280 HG23 THR 33 HG23 THR 33 39.775 2.140 -10.546 Start of MODEL 12 1 H1 ASP 1 HT1 ASP 1 6.425 0.168 -1.023 2 H2 ASP 1 HT2 ASP 1 7.058 -1.252 -1.704 3 H3 ASP 1 HT3 ASP 1 7.852 0.232 -1.939 4 HA ASP 1 HA ASP 1 7.916 -1.563 0.339 5 HB2 ASP 1 HB2 ASP 1 10.171 -0.607 0.538 6 HB3 ASP 1 HB1 ASP 1 9.872 -1.072 -1.136 7 H VAL 2 HN VAL 2 9.572 0.674 1.617 8 HA VAL 2 HA VAL 2 7.429 1.794 3.265 9 HB VAL 2 HB VAL 2 10.120 2.995 3.492 10 HG11 VAL 2 HG11 VAL 2 8.138 3.087 5.127 11 HG12 VAL 2 HG12 VAL 2 9.720 2.723 5.813 12 HG13 VAL 2 HG13 VAL 2 8.557 1.425 5.545 13 HG21 VAL 2 HG21 VAL 2 11.034 0.892 4.579 14 HG22 VAL 2 HG22 VAL 2 10.906 0.819 2.822 15 HG23 VAL 2 HG23 VAL 2 9.704 0.008 3.829 16 H ARG 3 HN ARG 3 9.668 2.919 0.756 17 HA ARG 3 HA ARG 3 7.932 5.313 0.376 18 HB2 ARG 3 HB2 ARG 3 10.805 5.822 -0.048 19 HB3 ARG 3 HB1 ARG 3 9.590 6.836 0.725 20 HG2 ARG 3 HG2 ARG 3 9.702 5.200 2.701 21 HG3 ARG 3 HG1 ARG 3 11.163 4.562 1.947 22 HD2 ARG 3 HD2 ARG 3 11.928 7.056 1.866 23 HD3 ARG 3 HD1 ARG 3 10.673 7.311 3.079 24 HE ARG 3 HE ARG 3 13.213 5.925 3.499 25 HH11 ARG 3 HH21 ARG 3 9.897 6.229 4.444 26 HH12 ARG 3 HH22 ARG 3 10.170 5.669 6.060 27 HH21 ARG 3 HH11 ARG 3 13.581 5.175 5.601 28 HH22 ARG 3 HH12 ARG 3 12.256 5.068 6.714 29 H LEU 4 HN LEU 4 10.908 3.868 -0.934 30 HA LEU 4 HA LEU 4 9.591 3.024 -3.350 31 HB2 LEU 4 HB2 LEU 4 9.937 5.543 -3.737 32 HB3 LEU 4 HB1 LEU 4 11.664 5.184 -3.772 33 HG LEU 4 HG LEU 4 11.253 3.511 -5.573 34 HD11 LEU 4 HD11 LEU 4 8.938 3.830 -6.721 35 HD12 LEU 4 HD12 LEU 4 8.426 4.461 -5.155 36 HD13 LEU 4 HD13 LEU 4 9.031 2.810 -5.287 37 HD21 LEU 4 HD21 LEU 4 11.713 6.035 -5.959 38 HD22 LEU 4 HD22 LEU 4 10.011 6.129 -6.408 39 HD23 LEU 4 HD23 LEU 4 11.107 5.093 -7.321 40 H ALA 5 HN ALA 5 10.730 1.274 -4.041 41 HA ALA 5 HA ALA 5 12.913 0.198 -2.677 42 HB1 ALA 5 HB1 ALA 5 12.444 -0.148 -5.651 43 HB2 ALA 5 HB2 ALA 5 11.499 -0.979 -4.414 44 HB3 ALA 5 HB3 ALA 5 13.230 -1.286 -4.558 45 H LYS 6 HN LYS 6 12.897 2.776 -4.973 46 HA LYS 6 HA LYS 6 15.707 2.664 -5.670 47 HB2 LYS 6 HB2 LYS 6 13.435 4.484 -6.141 48 HB3 LYS 6 HB1 LYS 6 14.984 5.306 -5.968 49 HG2 LYS 6 HG2 LYS 6 14.546 2.937 -7.809 50 HG3 LYS 6 HG1 LYS 6 14.430 4.614 -8.339 51 HD2 LYS 6 HD2 LYS 6 16.886 3.371 -7.056 52 HD3 LYS 6 HD1 LYS 6 16.674 3.626 -8.785 53 HE2 LYS 6 HE2 LYS 6 16.312 6.092 -8.270 54 HE3 LYS 6 HE1 LYS 6 16.844 5.743 -6.627 55 HZ1 LYS 6 HZ1 LYS 6 18.416 5.166 -9.076 56 HZ2 LYS 6 HZ2 LYS 6 18.929 4.930 -7.475 57 HZ3 LYS 6 HZ3 LYS 6 18.660 6.500 -8.063 58 H THR 7 HN THR 7 13.783 4.608 -3.378 59 HA THR 7 HA THR 7 15.882 6.014 -2.100 60 HB THR 7 HB THR 7 13.998 4.975 -0.156 61 HG1 THR 7 HG1 THR 7 12.679 4.482 -1.886 62 HG21 THR 7 HG21 THR 7 13.283 7.400 -0.154 63 HG22 THR 7 HG22 THR 7 14.410 7.668 -1.484 64 HG23 THR 7 HG23 THR 7 15.011 7.146 0.088 65 H LEU 8 HN LEU 8 14.566 2.777 -1.464 66 HA LEU 8 HA LEU 8 16.516 2.023 0.521 67 HB2 LEU 8 HB2 LEU 8 14.982 0.238 -1.397 68 HB3 LEU 8 HB1 LEU 8 15.699 -0.240 0.138 69 HG LEU 8 HG LEU 8 13.403 1.715 -0.246 70 HD11 LEU 8 HD11 LEU 8 12.666 -0.569 -0.468 71 HD12 LEU 8 HD12 LEU 8 12.199 -0.010 1.136 72 HD13 LEU 8 HD13 LEU 8 13.598 -1.064 0.946 73 HD21 LEU 8 HD21 LEU 8 15.021 0.927 2.187 74 HD22 LEU 8 HD22 LEU 8 13.375 1.544 2.326 75 HD23 LEU 8 HD23 LEU 8 14.630 2.549 1.607 76 H GLY 9 HN GLY 9 16.252 1.500 -2.994 77 HA2 GLY 9 HA2 GLY 9 18.623 0.021 -3.386 78 HA3 GLY 9 HA1 GLY 9 17.908 1.087 -4.597 79 H LEU 10 HN LEU 10 18.133 3.551 -3.232 80 HA LEU 10 HA LEU 10 20.831 4.278 -3.856 81 HB2 LEU 10 HB2 LEU 10 18.681 5.664 -2.238 82 HB3 LEU 10 HB1 LEU 10 20.268 6.383 -2.515 83 HG LEU 10 HG LEU 10 18.347 5.486 -4.692 84 HD11 LEU 10 HD11 LEU 10 19.205 8.291 -3.941 85 HD12 LEU 10 HD12 LEU 10 17.710 7.553 -3.367 86 HD13 LEU 10 HD13 LEU 10 17.951 7.826 -5.092 87 HD21 LEU 10 HD21 LEU 10 20.463 5.291 -5.675 88 HD22 LEU 10 HD22 LEU 10 21.150 6.576 -4.681 89 HD23 LEU 10 HD23 LEU 10 20.077 6.976 -6.020 90 H VAL 11 HN VAL 11 19.232 4.020 -0.661 91 HA VAL 11 HA VAL 11 21.503 4.322 0.970 92 HB VAL 11 HB VAL 11 19.281 2.298 1.416 93 HG11 VAL 11 HG11 VAL 11 21.070 2.041 3.017 94 HG12 VAL 11 HG12 VAL 11 19.756 2.896 3.828 95 HG13 VAL 11 HG13 VAL 11 21.170 3.786 3.262 96 HG21 VAL 11 HG21 VAL 11 19.217 5.206 1.256 97 HG22 VAL 11 HG22 VAL 11 18.741 4.647 2.858 98 HG23 VAL 11 HG23 VAL 11 17.880 4.069 1.433 99 H LEU 12 HN LEU 12 20.266 1.417 -0.660 100 HA LEU 12 HA LEU 12 22.342 -0.379 0.155 101 HB2 LEU 12 HB2 LEU 12 20.103 -0.480 -1.554 102 HB3 LEU 12 HB1 LEU 12 21.486 -0.821 -2.593 103 HG LEU 12 HG LEU 12 22.230 -2.469 -0.747 104 HD11 LEU 12 HD11 LEU 12 20.282 -3.364 0.573 105 HD12 LEU 12 HD12 LEU 12 19.340 -1.979 0.026 106 HD13 LEU 12 HD13 LEU 12 20.763 -1.733 1.037 107 HD21 LEU 12 HD21 LEU 12 21.189 -3.047 -2.995 108 HD22 LEU 12 HD22 LEU 12 19.632 -3.127 -2.168 109 HD23 LEU 12 HD23 LEU 12 20.925 -4.244 -1.725 110 H ALA 13 HN ALA 13 21.992 1.368 -2.955 111 HA ALA 13 HA ALA 13 24.532 0.829 -4.001 112 HB1 ALA 13 HB1 ALA 13 22.993 1.942 -5.431 113 HB2 ALA 13 HB2 ALA 13 24.274 3.122 -5.156 114 HB3 ALA 13 HB3 ALA 13 22.748 3.254 -4.280 115 H VAL 14 HN VAL 14 23.638 3.181 -1.539 116 HA VAL 14 HA VAL 14 26.304 4.418 -1.564 117 HB VAL 14 HB VAL 14 23.999 4.721 0.402 118 HG11 VAL 14 HG11 VAL 14 26.122 5.406 1.391 119 HG12 VAL 14 HG12 VAL 14 25.187 6.846 0.980 120 HG13 VAL 14 HG13 VAL 14 26.527 6.342 -0.050 121 HG21 VAL 14 HG21 VAL 14 23.240 6.521 -0.889 122 HG22 VAL 14 HG22 VAL 14 23.772 5.399 -2.140 123 HG23 VAL 14 HG23 VAL 14 24.804 6.748 -1.671 124 H LEU 15 HN LEU 15 24.410 2.535 0.846 125 HA LEU 15 HA LEU 15 26.629 2.142 2.595 126 HB2 LEU 15 HB2 LEU 15 24.845 1.414 3.766 127 HB3 LEU 15 HB1 LEU 15 23.923 1.029 2.316 128 HG LEU 15 HG LEU 15 26.213 -0.761 3.016 129 HD11 LEU 15 HD11 LEU 15 23.539 -0.791 4.446 130 HD12 LEU 15 HD12 LEU 15 25.103 -0.439 5.185 131 HD13 LEU 15 HD13 LEU 15 24.766 -2.053 4.556 132 HD21 LEU 15 HD21 LEU 15 24.270 -0.792 1.087 133 HD22 LEU 15 HD22 LEU 15 23.530 -1.807 2.322 134 HD23 LEU 15 HD23 LEU 15 25.107 -2.232 1.660 135 H LEU 16 HN LEU 16 25.483 0.256 -0.200 136 HA LEU 16 HA LEU 16 27.160 -1.982 -0.004 137 HB2 LEU 16 HB2 LEU 16 26.156 -0.426 -2.382 138 HB3 LEU 16 HB1 LEU 16 27.222 -1.814 -2.600 139 HG LEU 16 HG LEU 16 24.674 -1.950 -0.961 140 HD11 LEU 16 HD11 LEU 16 25.099 -2.743 -3.861 141 HD12 LEU 16 HD12 LEU 16 24.157 -1.355 -3.322 142 HD13 LEU 16 HD13 LEU 16 23.627 -2.989 -2.925 143 HD21 LEU 16 HD21 LEU 16 25.070 -4.442 -1.754 144 HD22 LEU 16 HD22 LEU 16 25.972 -3.803 -0.380 145 HD23 LEU 16 HD23 LEU 16 26.733 -3.895 -1.968 146 H ILE 17 HN ILE 17 28.084 1.296 -0.373 147 HA ILE 17 HA ILE 17 30.870 0.403 -0.976 148 HB ILE 17 HB ILE 17 29.458 1.801 -2.760 149 HG12 ILE 17 HG12 ILE 17 31.767 3.007 -3.261 150 HG13 ILE 17 HG11 ILE 17 32.343 1.950 -1.975 151 HG21 ILE 17 HG21 ILE 17 30.798 4.076 -1.321 152 HG22 ILE 17 HG22 ILE 17 29.154 3.613 -0.892 153 HG23 ILE 17 HG23 ILE 17 29.521 4.127 -2.536 154 HD11 ILE 17 HD11 ILE 17 31.126 1.193 -4.626 155 HD12 ILE 17 HD12 ILE 17 31.143 0.054 -3.279 156 HD13 ILE 17 HD13 ILE 17 32.660 0.671 -3.932 157 H CYS 18 HN CYS 18 28.987 1.448 1.444 158 HA CYS 18 HA CYS 18 31.249 2.676 2.853 159 HB2 CYS 18 HB2 CYS 18 28.992 4.255 1.789 160 HB3 CYS 18 HB1 CYS 18 29.416 4.584 3.469 161 HG CYS 18 HG CYS 18 31.564 4.729 1.198 162 H TRP 19 HN TRP 19 29.021 0.481 2.966 163 HA TRP 19 HA TRP 19 27.220 0.552 4.968 164 HB2 TRP 19 HB2 TRP 19 28.972 -1.666 5.632 165 HB3 TRP 19 HB1 TRP 19 27.380 -1.692 4.892 166 HD1 TRP 19 HD1 TRP 19 27.477 -2.931 2.687 167 HE1 TRP 19 HE1 TRP 19 29.106 -3.031 0.684 168 HE3 TRP 19 HE3 TRP 19 31.183 0.128 4.402 169 HZ2 TRP 19 HZ2 TRP 19 31.640 -1.958 -0.082 170 HZ3 TRP 19 HZ3 TRP 19 33.181 0.577 3.018 171 HH2 TRP 19 HH2 TRP 19 33.413 -0.456 0.785 172 H PHE 20 HN PHE 20 30.122 -0.834 6.408 173 HA PHE 20 HA PHE 20 30.513 1.439 8.207 174 HB2 PHE 20 HB2 PHE 20 29.762 -1.092 9.640 175 HB3 PHE 20 HB1 PHE 20 29.684 0.571 10.198 176 HD1 PHE 20 HD2 PHE 20 27.983 -2.017 8.162 177 HD2 PHE 20 HD1 PHE 20 27.777 1.988 9.711 178 HE1 PHE 20 HE2 PHE 20 25.588 -1.897 7.541 179 HE2 PHE 20 HE1 PHE 20 25.380 2.101 9.092 180 HZ PHE 20 HZ PHE 20 24.287 0.162 8.006 181 HA PRO 21 HA PRO 21 33.693 -1.812 9.325 182 HB2 PRO 21 HB2 PRO 21 33.331 -4.435 8.695 183 HB3 PRO 21 HB1 PRO 21 32.552 -3.657 10.082 184 HG2 PRO 21 HG2 PRO 21 31.376 -4.589 7.584 185 HG3 PRO 21 HG1 PRO 21 30.592 -4.175 9.115 186 HD2 PRO 21 HD2 PRO 21 30.823 -2.558 6.705 187 HD3 PRO 21 HD1 PRO 21 29.903 -2.216 8.182 188 H VAL 22 HN VAL 22 32.902 -1.329 6.160 189 HA VAL 22 HA VAL 22 35.404 -2.666 5.213 190 HB VAL 22 HB VAL 22 32.954 -2.213 3.500 191 HG11 VAL 22 HG11 VAL 22 35.394 -4.009 3.302 192 HG12 VAL 22 HG12 VAL 22 35.008 -2.638 2.263 193 HG13 VAL 22 HG13 VAL 22 34.016 -4.093 2.208 194 HG21 VAL 22 HG21 VAL 22 32.035 -3.677 5.063 195 HG22 VAL 22 HG22 VAL 22 33.595 -4.404 5.451 196 HG23 VAL 22 HG23 VAL 22 32.778 -4.819 3.945 197 H LEU 23 HN LEU 23 34.073 0.317 5.782 198 HA LEU 23 HA LEU 23 34.812 1.705 3.354 199 HB2 LEU 23 HB2 LEU 23 35.136 3.578 5.401 200 HB3 LEU 23 HB1 LEU 23 33.681 3.321 4.446 201 HG LEU 23 HG LEU 23 33.023 1.536 6.146 202 HD11 LEU 23 HD11 LEU 23 35.540 2.616 7.347 203 HD12 LEU 23 HD12 LEU 23 34.885 0.979 7.401 204 HD13 LEU 23 HD13 LEU 23 34.212 2.232 8.441 205 HD21 LEU 23 HD21 LEU 23 33.320 4.445 6.939 206 HD22 LEU 23 HD22 LEU 23 32.365 3.284 7.859 207 HD23 LEU 23 HD23 LEU 23 31.919 3.669 6.198 208 H ALA 24 HN ALA 24 36.518 1.004 6.390 209 HA ALA 24 HA ALA 24 38.985 2.314 5.628 210 HB1 ALA 24 HB1 ALA 24 38.310 1.465 7.978 211 HB2 ALA 24 HB2 ALA 24 39.976 1.181 7.473 212 HB3 ALA 24 HB3 ALA 24 38.797 -0.131 7.405 213 H LEU 25 HN LEU 25 37.737 -1.007 5.338 214 HA LEU 25 HA LEU 25 40.001 -2.065 3.926 215 HB2 LEU 25 HB2 LEU 25 37.100 -2.813 4.144 216 HB3 LEU 25 HB1 LEU 25 38.076 -3.569 2.888 217 HG LEU 25 HG LEU 25 39.780 -3.996 4.852 218 HD11 LEU 25 HD11 LEU 25 38.631 -4.339 7.014 219 HD12 LEU 25 HD12 LEU 25 37.144 -3.696 6.323 220 HD13 LEU 25 HD13 LEU 25 38.548 -2.647 6.511 221 HD21 LEU 25 HD21 LEU 25 37.165 -5.493 4.481 222 HD22 LEU 25 HD22 LEU 25 38.544 -6.130 5.377 223 HD23 LEU 25 HD23 LEU 25 38.690 -5.803 3.651 224 H MET 26 HN MET 26 37.075 -0.353 2.894 225 HA MET 26 HA MET 26 37.579 -0.486 0.071 226 HB2 MET 26 HB2 MET 26 35.439 0.280 1.282 227 HB3 MET 26 HB1 MET 26 36.250 1.828 1.498 228 HG2 MET 26 HG2 MET 26 35.914 0.497 -1.201 229 HG3 MET 26 HG1 MET 26 34.779 1.679 -0.554 230 HE1 MET 26 HE1 MET 26 36.929 3.027 -3.473 231 HE2 MET 26 HE2 MET 26 35.525 3.798 -2.741 232 HE3 MET 26 HE3 MET 26 35.537 2.054 -2.984 233 H ALA 27 HN ALA 27 38.229 2.135 2.430 234 HA ALA 27 HA ALA 27 39.785 3.708 0.612 235 HB1 ALA 27 HB1 ALA 27 38.786 4.465 2.825 236 HB2 ALA 27 HB2 ALA 27 40.447 4.985 2.533 237 HB3 ALA 27 HB3 ALA 27 40.123 3.631 3.619 238 H HIS 28 HN HIS 28 40.553 0.877 2.485 239 HA HIS 28 HA HIS 28 43.456 1.285 1.860 240 HB2 HIS 28 HB2 HIS 28 42.590 1.063 4.318 241 HB3 HIS 28 HB1 HIS 28 42.465 -0.652 3.933 242 HD1 HIS 28 HD1 HIS 28 45.010 -0.739 2.027 243 HD2 HIS 28 HD2 HIS 28 44.925 0.868 5.882 244 HE1 HIS 28 HE1 HIS 28 47.398 -0.767 2.877 245 HE2 HIS 28 HE2 HIS 28 47.358 0.208 5.220 246 H SER 29 HN SER 29 41.515 -1.604 2.661 247 HA SER 29 HA SER 29 42.933 -3.432 1.093 248 HB2 SER 29 HB2 SER 29 40.468 -3.429 2.493 249 HB3 SER 29 HB1 SER 29 40.103 -4.006 0.873 250 HG SER 29 HG SER 29 41.617 -5.134 2.903 251 H LEU 30 HN LEU 30 40.341 -1.219 0.132 252 HA LEU 30 HA LEU 30 40.758 -2.007 -2.717 253 HB2 LEU 30 HB2 LEU 30 38.412 -1.603 -1.414 254 HB3 LEU 30 HB1 LEU 30 38.709 0.030 -2.009 255 HG LEU 30 HG LEU 30 39.256 -1.239 -4.266 256 HD11 LEU 30 HD11 LEU 30 37.951 -3.252 -4.577 257 HD12 LEU 30 HD12 LEU 30 37.264 -3.113 -2.959 258 HD13 LEU 30 HD13 LEU 30 38.976 -3.485 -3.162 259 HD21 LEU 30 HD21 LEU 30 36.739 -1.117 -4.783 260 HD22 LEU 30 HD22 LEU 30 37.500 0.366 -4.206 261 HD23 LEU 30 HD23 LEU 30 36.534 -0.618 -3.104 262 H ALA 31 HN ALA 31 42.737 -0.471 -1.201 263 HA ALA 31 HA ALA 31 42.510 2.327 -1.896 264 HB1 ALA 31 HB1 ALA 31 44.984 2.356 -1.389 265 HB2 ALA 31 HB2 ALA 31 44.897 0.611 -1.151 266 HB3 ALA 31 HB3 ALA 31 43.995 1.694 -0.091 267 H THR 32 HN THR 32 41.923 0.720 -4.167 268 HA THR 32 HA THR 32 44.245 0.607 -5.915 269 HB THR 32 HB THR 32 42.452 -0.893 -6.436 270 HG1 THR 32 HG1 THR 32 43.246 -0.170 -8.321 271 HG21 THR 32 HG21 THR 32 40.736 1.563 -6.164 272 HG22 THR 32 HG22 THR 32 40.550 -0.011 -5.393 273 HG23 THR 32 HG23 THR 32 40.175 0.181 -7.103 274 H THR 33 HN THR 33 43.789 1.875 -8.156 275 HA THR 33 HA THR 33 43.728 3.928 -9.260 276 HB THR 33 HB THR 33 42.393 5.495 -7.169 277 HG1 THR 33 HG1 THR 33 41.438 3.662 -6.506 278 HG21 THR 33 HG21 THR 33 42.568 5.791 -9.755 279 HG22 THR 33 HG22 THR 33 41.041 6.168 -8.958 280 HG23 THR 33 HG23 THR 33 41.237 4.636 -9.809 Start of MODEL 13 1 H1 ASP 1 HT1 ASP 1 7.067 -2.840 1.361 2 H2 ASP 1 HT2 ASP 1 6.539 -1.347 0.738 3 H3 ASP 1 HT3 ASP 1 6.263 -1.738 2.366 4 HA ASP 1 HA ASP 1 8.824 -1.928 2.486 5 HB2 ASP 1 HB2 ASP 1 9.651 0.054 0.943 6 HB3 ASP 1 HB1 ASP 1 9.575 -1.585 0.309 7 H VAL 2 HN VAL 2 9.747 -0.096 3.675 8 HA VAL 2 HA VAL 2 7.751 1.417 5.083 9 HB VAL 2 HB VAL 2 9.760 0.887 6.264 10 HG11 VAL 2 HG11 VAL 2 11.015 1.457 3.729 11 HG12 VAL 2 HG12 VAL 2 11.676 0.619 5.132 12 HG13 VAL 2 HG13 VAL 2 11.812 2.372 5.009 13 HG21 VAL 2 HG21 VAL 2 8.813 3.217 6.611 14 HG22 VAL 2 HG22 VAL 2 10.081 3.813 5.541 15 HG23 VAL 2 HG23 VAL 2 10.507 3.026 7.056 16 H ARG 3 HN ARG 3 10.504 3.133 3.695 17 HA ARG 3 HA ARG 3 8.770 5.240 2.673 18 HB2 ARG 3 HB2 ARG 3 11.269 5.502 1.416 19 HB3 ARG 3 HB1 ARG 3 10.728 6.347 2.863 20 HG2 ARG 3 HG2 ARG 3 11.607 4.515 4.269 21 HG3 ARG 3 HG1 ARG 3 12.160 3.673 2.820 22 HD2 ARG 3 HD2 ARG 3 13.746 5.370 2.312 23 HD3 ARG 3 HD1 ARG 3 13.030 6.494 3.459 24 HE ARG 3 HE ARG 3 14.709 4.138 4.164 25 HH11 ARG 3 HH21 ARG 3 12.955 6.997 5.041 26 HH12 ARG 3 HH22 ARG 3 13.620 7.066 6.638 27 HH21 ARG 3 HH11 ARG 3 15.589 4.245 6.253 28 HH22 ARG 3 HH12 ARG 3 15.128 5.543 7.306 29 H LEU 4 HN LEU 4 11.092 3.076 1.019 30 HA LEU 4 HA LEU 4 9.135 2.095 -0.826 31 HB2 LEU 4 HB2 LEU 4 9.738 4.608 -1.547 32 HB3 LEU 4 HB1 LEU 4 11.109 3.792 -2.296 33 HG LEU 4 HG LEU 4 9.496 2.223 -3.412 34 HD11 LEU 4 HD11 LEU 4 7.095 3.295 -3.499 35 HD12 LEU 4 HD12 LEU 4 7.560 4.004 -1.954 36 HD13 LEU 4 HD13 LEU 4 7.530 2.251 -2.148 37 HD21 LEU 4 HD21 LEU 4 8.865 5.124 -4.007 38 HD22 LEU 4 HD22 LEU 4 8.877 3.774 -5.140 39 HD23 LEU 4 HD23 LEU 4 10.391 4.368 -4.459 40 H ALA 5 HN ALA 5 9.956 0.257 -1.802 41 HA ALA 5 HA ALA 5 12.357 -0.937 -0.941 42 HB1 ALA 5 HB1 ALA 5 12.125 -2.101 -3.357 43 HB2 ALA 5 HB2 ALA 5 10.533 -1.346 -3.275 44 HB3 ALA 5 HB3 ALA 5 11.030 -2.489 -2.029 45 H LYS 6 HN LYS 6 11.820 1.464 -3.389 46 HA LYS 6 HA LYS 6 14.341 1.187 -4.761 47 HB2 LYS 6 HB2 LYS 6 12.060 3.017 -4.810 48 HB3 LYS 6 HB1 LYS 6 13.592 3.866 -5.000 49 HG2 LYS 6 HG2 LYS 6 13.135 1.352 -6.566 50 HG3 LYS 6 HG1 LYS 6 12.361 2.841 -7.105 51 HD2 LYS 6 HD2 LYS 6 14.292 3.646 -7.921 52 HD3 LYS 6 HD1 LYS 6 15.138 3.334 -6.403 53 HE2 LYS 6 HE2 LYS 6 16.197 1.993 -8.177 54 HE3 LYS 6 HE1 LYS 6 15.350 0.905 -7.072 55 HZ1 LYS 6 HZ1 LYS 6 13.483 0.853 -8.577 56 HZ2 LYS 6 HZ2 LYS 6 14.900 0.385 -9.390 57 HZ3 LYS 6 HZ3 LYS 6 14.252 1.937 -9.632 58 H THR 7 HN THR 7 13.207 3.494 -2.250 59 HA THR 7 HA THR 7 15.723 4.770 -1.842 60 HB THR 7 HB THR 7 14.836 5.451 0.335 61 HG1 THR 7 HG1 THR 7 13.967 3.548 1.078 62 HG21 THR 7 HG21 THR 7 13.736 6.119 -2.015 63 HG22 THR 7 HG22 THR 7 13.115 6.733 -0.483 64 HG23 THR 7 HG23 THR 7 12.331 5.363 -1.268 65 H LEU 8 HN LEU 8 14.216 2.022 -0.171 66 HA LEU 8 HA LEU 8 16.457 1.286 1.445 67 HB2 LEU 8 HB2 LEU 8 14.316 -0.475 0.194 68 HB3 LEU 8 HB1 LEU 8 15.374 -0.939 1.521 69 HG LEU 8 HG LEU 8 13.719 1.551 1.790 70 HD11 LEU 8 HD11 LEU 8 11.859 0.284 1.394 71 HD12 LEU 8 HD12 LEU 8 12.165 -0.316 3.022 72 HD13 LEU 8 HD13 LEU 8 12.724 -1.236 1.628 73 HD21 LEU 8 HD21 LEU 8 14.459 -0.586 3.807 74 HD22 LEU 8 HD22 LEU 8 13.904 1.055 4.132 75 HD23 LEU 8 HD23 LEU 8 15.504 0.788 3.444 76 H GLY 9 HN GLY 9 15.386 0.136 -1.759 77 HA2 GLY 9 HA2 GLY 9 17.518 -1.622 -2.303 78 HA3 GLY 9 HA1 GLY 9 16.614 -0.749 -3.540 79 H LEU 10 HN LEU 10 17.232 1.847 -3.133 80 HA LEU 10 HA LEU 10 19.834 2.170 -4.231 81 HB2 LEU 10 HB2 LEU 10 18.004 4.067 -2.744 82 HB3 LEU 10 HB1 LEU 10 19.558 4.585 -3.394 83 HG LEU 10 HG LEU 10 17.650 3.113 -5.187 84 HD11 LEU 10 HD11 LEU 10 16.292 4.889 -4.129 85 HD12 LEU 10 HD12 LEU 10 16.608 5.256 -5.823 86 HD13 LEU 10 HD13 LEU 10 17.518 6.084 -4.560 87 HD21 LEU 10 HD21 LEU 10 19.465 5.461 -5.783 88 HD22 LEU 10 HD22 LEU 10 18.823 4.264 -6.909 89 HD23 LEU 10 HD23 LEU 10 20.071 3.805 -5.752 90 H VAL 11 HN VAL 11 18.734 2.879 -0.891 91 HA VAL 11 HA VAL 11 21.261 3.420 0.222 92 HB VAL 11 HB VAL 11 18.936 1.957 1.521 93 HG11 VAL 11 HG11 VAL 11 19.879 2.695 3.630 94 HG12 VAL 11 HG12 VAL 11 21.157 3.585 2.800 95 HG13 VAL 11 HG13 VAL 11 21.128 1.821 2.747 96 HG21 VAL 11 HG21 VAL 11 17.937 3.996 1.877 97 HG22 VAL 11 HG22 VAL 11 18.816 4.421 0.410 98 HG23 VAL 11 HG23 VAL 11 19.473 4.850 1.988 99 H LEU 12 HN LEU 12 19.581 0.251 0.129 100 HA LEU 12 HA LEU 12 21.767 -1.272 1.142 101 HB2 LEU 12 HB2 LEU 12 19.329 -1.879 -0.489 102 HB3 LEU 12 HB1 LEU 12 20.584 -3.116 -0.377 103 HG LEU 12 HG LEU 12 19.894 -1.831 2.197 104 HD11 LEU 12 HD11 LEU 12 17.928 -3.867 1.219 105 HD12 LEU 12 HD12 LEU 12 17.689 -2.180 0.766 106 HD13 LEU 12 HD13 LEU 12 17.739 -2.636 2.467 107 HD21 LEU 12 HD21 LEU 12 21.402 -3.854 1.762 108 HD22 LEU 12 HD22 LEU 12 19.925 -4.757 1.422 109 HD23 LEU 12 HD23 LEU 12 20.181 -4.055 3.019 110 H ALA 13 HN ALA 13 20.750 -0.797 -2.259 111 HA ALA 13 HA ALA 13 22.896 -2.144 -3.483 112 HB1 ALA 13 HB1 ALA 13 21.388 0.318 -4.417 113 HB2 ALA 13 HB2 ALA 13 21.013 -1.362 -4.803 114 HB3 ALA 13 HB3 ALA 13 22.480 -0.617 -5.440 115 H VAL 14 HN VAL 14 22.745 1.179 -2.267 116 HA VAL 14 HA VAL 14 25.429 1.792 -3.252 117 HB VAL 14 HB VAL 14 23.606 3.279 -1.326 118 HG11 VAL 14 HG11 VAL 14 26.282 3.943 -2.558 119 HG12 VAL 14 HG12 VAL 14 25.788 4.078 -0.871 120 HG13 VAL 14 HG13 VAL 14 25.165 5.215 -2.066 121 HG21 VAL 14 HG21 VAL 14 24.276 3.984 -4.191 122 HG22 VAL 14 HG22 VAL 14 22.958 4.601 -3.195 123 HG23 VAL 14 HG23 VAL 14 22.908 2.943 -3.793 124 H LEU 15 HN LEU 15 23.915 1.152 -0.074 125 HA LEU 15 HA LEU 15 26.278 1.309 1.483 126 HB2 LEU 15 HB2 LEU 15 24.464 1.033 2.857 127 HB3 LEU 15 HB1 LEU 15 23.646 -0.069 1.752 128 HG LEU 15 HG LEU 15 26.153 -1.141 2.873 129 HD11 LEU 15 HD11 LEU 15 25.295 -1.540 5.101 130 HD12 LEU 15 HD12 LEU 15 23.761 -0.773 4.694 131 HD13 LEU 15 HD13 LEU 15 25.230 0.196 4.800 132 HD21 LEU 15 HD21 LEU 15 24.623 -2.539 1.587 133 HD22 LEU 15 HD22 LEU 15 23.294 -2.127 2.667 134 HD23 LEU 15 HD23 LEU 15 24.637 -3.103 3.258 135 H LEU 16 HN LEU 16 24.899 -1.401 -0.378 136 HA LEU 16 HA LEU 16 26.751 -3.419 0.245 137 HB2 LEU 16 HB2 LEU 16 25.328 -2.717 -2.317 138 HB3 LEU 16 HB1 LEU 16 26.426 -4.093 -2.238 139 HG LEU 16 HG LEU 16 24.094 -3.687 -0.341 140 HD11 LEU 16 HD11 LEU 16 23.156 -5.671 -1.677 141 HD12 LEU 16 HD12 LEU 16 24.343 -5.256 -2.913 142 HD13 LEU 16 HD13 LEU 16 23.094 -4.094 -2.461 143 HD21 LEU 16 HD21 LEU 16 25.463 -5.161 0.787 144 HD22 LEU 16 HD22 LEU 16 26.243 -5.732 -0.689 145 HD23 LEU 16 HD23 LEU 16 24.633 -6.312 -0.262 146 H ILE 17 HN ILE 17 27.389 -0.403 -1.244 147 HA ILE 17 HA ILE 17 30.171 -1.317 -1.762 148 HB ILE 17 HB ILE 17 28.702 -1.028 -3.888 149 HG12 ILE 17 HG12 ILE 17 30.690 0.393 -4.932 150 HG13 ILE 17 HG11 ILE 17 31.421 0.120 -3.351 151 HG21 ILE 17 HG21 ILE 17 29.230 1.872 -3.202 152 HG22 ILE 17 HG22 ILE 17 27.652 1.089 -3.208 153 HG23 ILE 17 HG23 ILE 17 28.546 1.276 -4.713 154 HD11 ILE 17 HD11 ILE 17 30.485 -1.968 -5.335 155 HD12 ILE 17 HD12 ILE 17 30.907 -2.348 -3.665 156 HD13 ILE 17 HD13 ILE 17 32.128 -1.694 -4.755 157 H CYS 18 HN CYS 18 28.393 0.424 0.219 158 HA CYS 18 HA CYS 18 30.539 2.376 0.716 159 HB2 CYS 18 HB2 CYS 18 27.868 3.112 -0.355 160 HB3 CYS 18 HB1 CYS 18 28.520 4.131 0.926 161 HG CYS 18 HG CYS 18 30.342 3.554 -1.533 162 H TRP 19 HN TRP 19 28.490 0.167 1.836 163 HA TRP 19 HA TRP 19 27.044 0.658 4.003 164 HB2 TRP 19 HB2 TRP 19 29.076 -1.031 5.085 165 HB3 TRP 19 HB1 TRP 19 27.531 -1.499 4.398 166 HD1 TRP 19 HD1 TRP 19 27.916 -3.289 2.654 167 HE1 TRP 19 HE1 TRP 19 29.580 -3.655 0.712 168 HE3 TRP 19 HE3 TRP 19 30.968 0.740 3.336 169 HZ2 TRP 19 HZ2 TRP 19 31.899 -2.395 -0.403 170 HZ3 TRP 19 HZ3 TRP 19 32.884 1.145 1.823 171 HH2 TRP 19 HH2 TRP 19 33.355 -0.414 -0.044 172 H PHE 20 HN PHE 20 30.163 0.071 5.448 173 HA PHE 20 HA PHE 20 30.513 2.840 6.321 174 HB2 PHE 20 HB2 PHE 20 30.160 0.981 8.631 175 HB3 PHE 20 HB1 PHE 20 29.868 2.705 8.525 176 HD1 PHE 20 HD2 PHE 20 28.458 -0.646 7.730 177 HD2 PHE 20 HD1 PHE 20 27.742 3.593 7.851 178 HE1 PHE 20 HE2 PHE 20 26.039 -1.045 7.404 179 HE2 PHE 20 HE1 PHE 20 25.320 3.188 7.529 180 HZ PHE 20 HZ PHE 20 24.467 0.874 7.308 181 HA PRO 21 HA PRO 21 34.064 0.340 8.106 182 HB2 PRO 21 HB2 PRO 21 33.988 -2.340 8.363 183 HB3 PRO 21 HB1 PRO 21 33.143 -1.274 9.496 184 HG2 PRO 21 HG2 PRO 21 32.054 -2.941 7.305 185 HG3 PRO 21 HG1 PRO 21 31.327 -2.491 8.856 186 HD2 PRO 21 HD2 PRO 21 30.794 -1.279 6.352 187 HD3 PRO 21 HD1 PRO 21 30.318 -0.663 7.944 188 H VAL 22 HN VAL 22 32.648 -1.621 5.502 189 HA VAL 22 HA VAL 22 35.047 -2.686 4.455 190 HB VAL 22 HB VAL 22 32.833 -1.906 2.600 191 HG11 VAL 22 HG11 VAL 22 34.773 -3.252 1.841 192 HG12 VAL 22 HG12 VAL 22 33.264 -4.159 1.727 193 HG13 VAL 22 HG13 VAL 22 34.382 -4.471 3.054 194 HG21 VAL 22 HG21 VAL 22 31.678 -4.071 3.492 195 HG22 VAL 22 HG22 VAL 22 31.450 -2.570 4.388 196 HG23 VAL 22 HG23 VAL 22 32.609 -3.770 4.959 197 H LEU 23 HN LEU 23 33.903 0.560 4.446 198 HA LEU 23 HA LEU 23 35.280 1.418 2.050 199 HB2 LEU 23 HB2 LEU 23 34.874 3.641 2.763 200 HB3 LEU 23 HB1 LEU 23 33.486 2.727 3.337 201 HG LEU 23 HG LEU 23 34.898 2.476 5.544 202 HD11 LEU 23 HD11 LEU 23 36.653 4.053 3.974 203 HD12 LEU 23 HD12 LEU 23 36.808 3.674 5.690 204 HD13 LEU 23 HD13 LEU 23 35.972 5.140 5.184 205 HD21 LEU 23 HD21 LEU 23 32.763 3.818 5.120 206 HD22 LEU 23 HD22 LEU 23 33.807 5.215 4.855 207 HD23 LEU 23 HD23 LEU 23 33.794 4.409 6.423 208 H ALA 24 HN ALA 24 36.195 1.057 5.452 209 HA ALA 24 HA ALA 24 38.861 2.146 5.145 210 HB1 ALA 24 HB1 ALA 24 39.322 0.781 7.245 211 HB2 ALA 24 HB2 ALA 24 37.653 0.218 7.156 212 HB3 ALA 24 HB3 ALA 24 37.995 1.932 7.391 213 H LEU 25 HN LEU 25 37.536 -1.164 5.170 214 HA LEU 25 HA LEU 25 39.994 -2.442 4.392 215 HB2 LEU 25 HB2 LEU 25 37.091 -3.200 4.206 216 HB3 LEU 25 HB1 LEU 25 38.317 -4.190 3.426 217 HG LEU 25 HG LEU 25 39.010 -3.445 6.186 218 HD11 LEU 25 HD11 LEU 25 36.577 -5.176 5.641 219 HD12 LEU 25 HD12 LEU 25 36.598 -3.647 6.521 220 HD13 LEU 25 HD13 LEU 25 37.400 -5.065 7.196 221 HD21 LEU 25 HD21 LEU 25 38.692 -6.163 4.886 222 HD22 LEU 25 HD22 LEU 25 39.698 -5.751 6.275 223 HD23 LEU 25 HD23 LEU 25 40.124 -5.156 4.671 224 H MET 26 HN MET 26 37.267 -1.067 2.575 225 HA MET 26 HA MET 26 38.097 -1.791 -0.035 226 HB2 MET 26 HB2 MET 26 35.931 -0.720 0.403 227 HB3 MET 26 HB1 MET 26 36.743 0.759 0.907 228 HG2 MET 26 HG2 MET 26 37.285 -0.398 -1.815 229 HG3 MET 26 HG1 MET 26 35.834 0.564 -1.546 230 HE1 MET 26 HE1 MET 26 35.646 2.799 -0.892 231 HE2 MET 26 HE2 MET 26 36.081 2.942 -2.593 232 HE3 MET 26 HE3 MET 26 36.782 4.049 -1.417 233 H ALA 27 HN ALA 27 39.011 1.003 1.985 234 HA ALA 27 HA ALA 27 40.893 2.140 0.116 235 HB1 ALA 27 HB1 ALA 27 41.113 2.246 3.134 236 HB2 ALA 27 HB2 ALA 27 39.978 3.249 2.230 237 HB3 ALA 27 HB3 ALA 27 41.713 3.422 1.966 238 H HIS 28 HN HIS 28 40.877 -0.851 1.472 239 HA HIS 28 HA HIS 28 43.860 -1.075 1.351 240 HB2 HIS 28 HB2 HIS 28 41.883 -2.478 3.180 241 HB3 HIS 28 HB1 HIS 28 43.551 -2.999 2.985 242 HD1 HIS 28 HD1 HIS 28 41.501 -0.034 4.190 243 HD2 HIS 28 HD2 HIS 28 45.426 -1.462 4.404 244 HE1 HIS 28 HE1 HIS 28 42.734 1.459 5.837 245 HE2 HIS 28 HE2 HIS 28 45.118 0.597 5.975 246 H SER 29 HN SER 29 40.923 -3.087 1.325 247 HA SER 29 HA SER 29 41.837 -5.169 -0.377 248 HB2 SER 29 HB2 SER 29 39.579 -4.802 0.963 249 HB3 SER 29 HB1 SER 29 39.018 -4.130 -0.559 250 HG SER 29 HG SER 29 38.661 -6.165 -0.994 251 H LEU 30 HN LEU 30 40.642 -1.940 -1.041 252 HA LEU 30 HA LEU 30 41.108 -2.406 -3.960 253 HB2 LEU 30 HB2 LEU 30 38.903 -1.239 -2.528 254 HB3 LEU 30 HB1 LEU 30 39.660 0.011 -3.510 255 HG LEU 30 HG LEU 30 39.149 -2.684 -4.737 256 HD11 LEU 30 HD11 LEU 30 36.891 -1.937 -5.405 257 HD12 LEU 30 HD12 LEU 30 37.076 -0.493 -4.410 258 HD13 LEU 30 HD13 LEU 30 37.020 -2.085 -3.653 259 HD21 LEU 30 HD21 LEU 30 40.396 -1.034 -6.025 260 HD22 LEU 30 HD22 LEU 30 39.155 0.184 -5.733 261 HD23 LEU 30 HD23 LEU 30 38.796 -1.218 -6.739 262 H ALA 31 HN ALA 31 41.258 0.094 -1.410 263 HA ALA 31 HA ALA 31 42.705 1.946 -1.200 264 HB1 ALA 31 HB1 ALA 31 44.704 -0.063 -2.277 265 HB2 ALA 31 HB2 ALA 31 44.122 -0.054 -0.615 266 HB3 ALA 31 HB3 ALA 31 45.041 1.318 -1.232 267 H THR 32 HN THR 32 45.186 1.551 -3.226 268 HA THR 32 HA THR 32 43.836 2.635 -5.642 269 HB THR 32 HB THR 32 46.385 3.948 -5.256 270 HG1 THR 32 HG1 THR 32 46.043 3.792 -3.069 271 HG21 THR 32 HG21 THR 32 45.047 5.941 -5.652 272 HG22 THR 32 HG22 THR 32 43.565 5.064 -5.271 273 HG23 THR 32 HG23 THR 32 44.481 4.656 -6.722 274 H THR 33 HN THR 33 45.625 2.734 -7.466 275 HA THR 33 HA THR 33 46.651 0.051 -7.746 276 HB THR 33 HB THR 33 47.746 1.132 -9.823 277 HG1 THR 33 HG1 THR 33 47.546 3.256 -8.709 278 HG21 THR 33 HG21 THR 33 45.592 1.258 -10.992 279 HG22 THR 33 HG22 THR 33 44.744 1.409 -9.452 280 HG23 THR 33 HG23 THR 33 45.579 -0.091 -9.855 Start of MODEL 14 1 H1 ASP 1 HT1 ASP 1 4.259 1.070 1.178 2 H2 ASP 1 HT2 ASP 1 5.493 1.366 0.048 3 H3 ASP 1 HT3 ASP 1 5.110 2.531 1.222 4 HA ASP 1 HA ASP 1 5.708 0.137 2.542 5 HB2 ASP 1 HB2 ASP 1 8.068 1.111 0.959 6 HB3 ASP 1 HB1 ASP 1 7.831 -0.444 1.750 7 H VAL 2 HN VAL 2 7.979 0.761 3.765 8 HA VAL 2 HA VAL 2 7.569 3.294 5.099 9 HB VAL 2 HB VAL 2 9.613 2.835 6.236 10 HG11 VAL 2 HG11 VAL 2 7.699 0.961 6.187 11 HG12 VAL 2 HG12 VAL 2 9.187 0.747 7.105 12 HG13 VAL 2 HG13 VAL 2 9.017 0.003 5.517 13 HG21 VAL 2 HG21 VAL 2 11.268 1.157 5.321 14 HG22 VAL 2 HG22 VAL 2 11.127 2.625 4.355 15 HG23 VAL 2 HG23 VAL 2 10.338 1.139 3.823 16 H ARG 3 HN ARG 3 9.530 2.117 2.459 17 HA ARG 3 HA ARG 3 9.482 4.755 1.204 18 HB2 ARG 3 HB2 ARG 3 12.093 3.352 1.879 19 HB3 ARG 3 HB1 ARG 3 11.957 4.641 0.683 20 HG2 ARG 3 HG2 ARG 3 11.138 6.187 2.380 21 HG3 ARG 3 HG1 ARG 3 11.158 4.901 3.592 22 HD2 ARG 3 HD2 ARG 3 13.668 5.564 2.068 23 HD3 ARG 3 HD1 ARG 3 13.198 6.551 3.449 24 HE ARG 3 HE ARG 3 14.137 3.765 3.553 25 HH11 ARG 3 HH21 ARG 3 12.458 6.363 5.086 26 HH12 ARG 3 HH22 ARG 3 12.718 5.766 6.690 27 HH21 ARG 3 HH11 ARG 3 14.472 2.961 5.645 28 HH22 ARG 3 HH12 ARG 3 13.838 3.827 7.004 29 H LEU 4 HN LEU 4 9.211 4.377 -1.000 30 HA LEU 4 HA LEU 4 8.474 1.944 -2.052 31 HB2 LEU 4 HB2 LEU 4 9.389 4.481 -3.164 32 HB3 LEU 4 HB1 LEU 4 9.882 3.124 -4.177 33 HG LEU 4 HG LEU 4 7.503 2.280 -4.066 34 HD11 LEU 4 HD11 LEU 4 5.766 3.839 -3.341 35 HD12 LEU 4 HD12 LEU 4 6.984 5.045 -2.925 36 HD13 LEU 4 HD13 LEU 4 6.878 3.543 -2.005 37 HD21 LEU 4 HD21 LEU 4 7.897 5.064 -5.203 38 HD22 LEU 4 HD22 LEU 4 6.660 3.910 -5.700 39 HD23 LEU 4 HD23 LEU 4 8.362 3.560 -5.999 40 H ALA 5 HN ALA 5 9.506 0.057 -2.564 41 HA ALA 5 HA ALA 5 11.983 -0.733 -1.691 42 HB1 ALA 5 HB1 ALA 5 12.025 -2.351 -3.652 43 HB2 ALA 5 HB2 ALA 5 10.583 -1.533 -4.256 44 HB3 ALA 5 HB3 ALA 5 10.540 -2.364 -2.702 45 H LYS 6 HN LYS 6 11.316 0.993 -4.703 46 HA LYS 6 HA LYS 6 13.895 0.966 -5.866 47 HB2 LYS 6 HB2 LYS 6 11.585 2.068 -6.642 48 HB3 LYS 6 HB1 LYS 6 12.297 3.506 -5.914 49 HG2 LYS 6 HG2 LYS 6 13.901 1.833 -7.839 50 HG3 LYS 6 HG1 LYS 6 12.758 3.033 -8.441 51 HD2 LYS 6 HD2 LYS 6 14.239 4.678 -8.034 52 HD3 LYS 6 HD1 LYS 6 14.288 4.235 -6.330 53 HE2 LYS 6 HE2 LYS 6 16.541 3.978 -7.039 54 HE3 LYS 6 HE1 LYS 6 15.899 2.333 -7.076 55 HZ1 LYS 6 HZ1 LYS 6 17.178 3.278 -9.108 56 HZ2 LYS 6 HZ2 LYS 6 15.689 4.009 -9.479 57 HZ3 LYS 6 HZ3 LYS 6 15.799 2.319 -9.346 58 H THR 7 HN THR 7 12.478 3.390 -3.658 59 HA THR 7 HA THR 7 14.813 4.924 -3.209 60 HB THR 7 HB THR 7 13.358 4.646 -0.754 61 HG1 THR 7 HG1 THR 7 11.766 3.646 -2.045 62 HG21 THR 7 HG21 THR 7 12.632 6.958 -1.330 63 HG22 THR 7 HG22 THR 7 13.323 6.741 -2.939 64 HG23 THR 7 HG23 THR 7 14.369 6.720 -1.517 65 H LEU 8 HN LEU 8 13.546 2.141 -1.372 66 HA LEU 8 HA LEU 8 15.740 1.880 0.420 67 HB2 LEU 8 HB2 LEU 8 13.780 -0.122 -0.718 68 HB3 LEU 8 HB1 LEU 8 14.984 -0.559 0.489 69 HG LEU 8 HG LEU 8 13.010 1.707 0.872 70 HD11 LEU 8 HD11 LEU 8 11.860 0.074 2.421 71 HD12 LEU 8 HD12 LEU 8 12.867 -1.196 1.727 72 HD13 LEU 8 HD13 LEU 8 11.717 -0.326 0.710 73 HD21 LEU 8 HD21 LEU 8 13.664 1.151 3.324 74 HD22 LEU 8 HD22 LEU 8 14.858 1.998 2.341 75 HD23 LEU 8 HD23 LEU 8 15.016 0.265 2.619 76 H GLY 9 HN GLY 9 15.279 0.825 -2.896 77 HA2 GLY 9 HA2 GLY 9 17.361 -1.019 -3.213 78 HA3 GLY 9 HA1 GLY 9 16.862 0.110 -4.472 79 H LEU 10 HN LEU 10 17.507 2.510 -2.980 80 HA LEU 10 HA LEU 10 20.237 2.869 -3.704 81 HB2 LEU 10 HB2 LEU 10 18.218 4.398 -2.176 82 HB3 LEU 10 HB1 LEU 10 19.889 4.734 -1.727 83 HG LEU 10 HG LEU 10 20.418 5.082 -4.158 84 HD11 LEU 10 HD11 LEU 10 17.400 4.923 -4.450 85 HD12 LEU 10 HD12 LEU 10 18.549 3.738 -5.069 86 HD13 LEU 10 HD13 LEU 10 18.534 5.376 -5.721 87 HD21 LEU 10 HD21 LEU 10 19.257 7.280 -4.317 88 HD22 LEU 10 HD22 LEU 10 19.944 7.006 -2.717 89 HD23 LEU 10 HD23 LEU 10 18.211 6.803 -2.978 90 H VAL 11 HN VAL 11 18.815 2.407 -0.450 91 HA VAL 11 HA VAL 11 21.229 2.237 0.997 92 HB VAL 11 HB VAL 11 18.899 0.396 1.559 93 HG11 VAL 11 HG11 VAL 11 20.958 0.354 2.994 94 HG12 VAL 11 HG12 VAL 11 19.504 0.821 3.872 95 HG13 VAL 11 HG13 VAL 11 20.670 2.050 3.385 96 HG21 VAL 11 HG21 VAL 11 17.759 2.427 1.107 97 HG22 VAL 11 HG22 VAL 11 19.044 3.404 1.815 98 HG23 VAL 11 HG23 VAL 11 17.994 2.443 2.854 99 H LEU 12 HN LEU 12 19.447 -0.321 -0.729 100 HA LEU 12 HA LEU 12 21.278 -2.452 -0.194 101 HB2 LEU 12 HB2 LEU 12 19.279 -1.876 -2.367 102 HB3 LEU 12 HB1 LEU 12 20.376 -3.244 -2.537 103 HG LEU 12 HG LEU 12 19.612 -3.857 -0.117 104 HD11 LEU 12 HD11 LEU 12 17.251 -3.130 0.313 105 HD12 LEU 12 HD12 LEU 12 17.397 -1.999 -1.031 106 HD13 LEU 12 HD13 LEU 12 18.413 -1.805 0.398 107 HD21 LEU 12 HD21 LEU 12 19.056 -5.207 -2.081 108 HD22 LEU 12 HD22 LEU 12 17.759 -4.092 -2.508 109 HD23 LEU 12 HD23 LEU 12 17.637 -5.066 -1.044 110 H ALA 13 HN ALA 13 20.998 -0.377 -3.094 111 HA ALA 13 HA ALA 13 23.407 -1.214 -4.347 112 HB1 ALA 13 HB1 ALA 13 21.783 1.321 -4.453 113 HB2 ALA 13 HB2 ALA 13 22.021 0.106 -5.708 114 HB3 ALA 13 HB3 ALA 13 23.324 1.223 -5.305 115 H VAL 14 HN VAL 14 22.824 1.261 -1.879 116 HA VAL 14 HA VAL 14 25.525 2.282 -1.886 117 HB VAL 14 HB VAL 14 23.360 2.346 0.247 118 HG11 VAL 14 HG11 VAL 14 24.747 4.262 1.154 119 HG12 VAL 14 HG12 VAL 14 26.043 3.747 0.075 120 HG13 VAL 14 HG13 VAL 14 25.480 2.668 1.353 121 HG21 VAL 14 HG21 VAL 14 22.638 4.310 -0.706 122 HG22 VAL 14 HG22 VAL 14 23.310 3.572 -2.160 123 HG23 VAL 14 HG23 VAL 14 24.252 4.758 -1.258 124 H LEU 15 HN LEU 15 23.827 -0.082 0.222 125 HA LEU 15 HA LEU 15 26.151 -0.741 1.752 126 HB2 LEU 15 HB2 LEU 15 24.481 -1.784 2.850 127 HB3 LEU 15 HB1 LEU 15 23.432 -1.770 1.437 128 HG LEU 15 HG LEU 15 25.674 -3.714 1.326 129 HD11 LEU 15 HD11 LEU 15 25.114 -3.981 3.667 130 HD12 LEU 15 HD12 LEU 15 24.417 -5.331 2.770 131 HD13 LEU 15 HD13 LEU 15 23.388 -3.996 3.295 132 HD21 LEU 15 HD21 LEU 15 23.820 -5.152 0.474 133 HD22 LEU 15 HD22 LEU 15 23.952 -3.636 -0.410 134 HD23 LEU 15 HD23 LEU 15 22.686 -3.841 0.800 135 H LEU 16 HN LEU 16 24.800 -2.039 -1.273 136 HA LEU 16 HA LEU 16 26.549 -4.169 -1.774 137 HB2 LEU 16 HB2 LEU 16 24.948 -2.332 -3.380 138 HB3 LEU 16 HB1 LEU 16 26.423 -2.811 -4.214 139 HG LEU 16 HG LEU 16 24.675 -4.865 -2.856 140 HD11 LEU 16 HD11 LEU 16 23.621 -5.248 -5.083 141 HD12 LEU 16 HD12 LEU 16 24.424 -3.798 -5.687 142 HD13 LEU 16 HD13 LEU 16 23.211 -3.670 -4.411 143 HD21 LEU 16 HD21 LEU 16 25.732 -6.314 -4.616 144 HD22 LEU 16 HD22 LEU 16 26.912 -5.593 -3.521 145 HD23 LEU 16 HD23 LEU 16 26.683 -4.923 -5.138 146 H ILE 17 HN ILE 17 27.229 -0.761 -1.647 147 HA ILE 17 HA ILE 17 30.070 -1.366 -2.333 148 HB ILE 17 HB ILE 17 28.683 -0.129 -4.112 149 HG12 ILE 17 HG12 ILE 17 31.100 1.377 -3.080 150 HG13 ILE 17 HG11 ILE 17 31.212 -0.168 -3.926 151 HG21 ILE 17 HG21 ILE 17 27.485 1.362 -2.536 152 HG22 ILE 17 HG22 ILE 17 28.361 2.276 -3.762 153 HG23 ILE 17 HG23 ILE 17 29.010 2.145 -2.129 154 HD11 ILE 17 HD11 ILE 17 29.840 2.295 -5.034 155 HD12 ILE 17 HD12 ILE 17 30.094 0.765 -5.874 156 HD13 ILE 17 HD13 ILE 17 31.472 1.782 -5.458 157 H CYS 18 HN CYS 18 28.356 -0.945 0.219 158 HA CYS 18 HA CYS 18 30.356 0.751 1.581 159 HB2 CYS 18 HB2 CYS 18 28.231 2.098 0.680 160 HB3 CYS 18 HB1 CYS 18 27.512 1.454 2.155 161 HG CYS 18 HG CYS 18 30.055 3.276 2.120 162 H TRP 19 HN TRP 19 28.061 -1.741 1.539 163 HA TRP 19 HA TRP 19 26.935 -2.705 3.563 164 HB2 TRP 19 HB2 TRP 19 29.385 -4.226 3.853 165 HB3 TRP 19 HB1 TRP 19 27.857 -4.710 3.128 166 HD1 TRP 19 HD1 TRP 19 27.999 -5.227 0.644 167 HE1 TRP 19 HE1 TRP 19 29.533 -4.525 -1.310 168 HE3 TRP 19 HE3 TRP 19 31.043 -1.932 3.059 169 HZ2 TRP 19 HZ2 TRP 19 31.762 -2.788 -1.779 170 HZ3 TRP 19 HZ3 TRP 19 32.851 -0.759 1.838 171 HH2 TRP 19 HH2 TRP 19 33.218 -1.181 -0.570 172 H PHE 20 HN PHE 20 30.244 -3.092 4.700 173 HA PHE 20 HA PHE 20 30.063 -1.034 6.713 174 HB2 PHE 20 HB2 PHE 20 29.202 -3.800 7.411 175 HB3 PHE 20 HB1 PHE 20 30.216 -2.959 8.582 176 HD1 PHE 20 HD1 PHE 20 29.408 -0.184 8.423 177 HD2 PHE 20 HD2 PHE 20 26.993 -3.727 8.129 178 HE1 PHE 20 HE1 PHE 20 27.432 1.096 9.191 179 HE2 PHE 20 HE2 PHE 20 25.019 -2.442 8.898 180 HZ PHE 20 HZ PHE 20 25.237 -0.032 9.430 181 HA PRO 21 HA PRO 21 34.035 -3.475 7.669 182 HB2 PRO 21 HB2 PRO 21 34.466 -5.889 6.439 183 HB3 PRO 21 HB1 PRO 21 33.653 -5.716 8.005 184 HG2 PRO 21 HG2 PRO 21 32.488 -6.168 5.305 185 HG3 PRO 21 HG1 PRO 21 31.984 -6.807 6.879 186 HD2 PRO 21 HD2 PRO 21 30.710 -4.724 5.622 187 HD3 PRO 21 HD1 PRO 21 30.733 -4.942 7.387 188 H VAL 22 HN VAL 22 33.132 -4.394 4.342 189 HA VAL 22 HA VAL 22 35.722 -4.165 3.249 190 HB VAL 22 HB VAL 22 33.143 -3.635 1.746 191 HG11 VAL 22 HG11 VAL 22 35.890 -4.673 1.002 192 HG12 VAL 22 HG12 VAL 22 35.051 -3.262 0.355 193 HG13 VAL 22 HG13 VAL 22 34.484 -4.883 -0.043 194 HG21 VAL 22 HG21 VAL 22 32.568 -5.653 2.712 195 HG22 VAL 22 HG22 VAL 22 34.244 -6.133 2.969 196 HG23 VAL 22 HG23 VAL 22 33.527 -6.260 1.364 197 H LEU 23 HN LEU 23 33.506 -1.600 4.112 198 HA LEU 23 HA LEU 23 34.492 0.347 2.258 199 HB2 LEU 23 HB2 LEU 23 33.494 2.010 3.647 200 HB3 LEU 23 HB1 LEU 23 32.444 0.601 3.730 201 HG LEU 23 HG LEU 23 33.956 0.003 5.824 202 HD11 LEU 23 HD11 LEU 23 34.808 2.680 5.125 203 HD12 LEU 23 HD12 LEU 23 35.429 1.613 6.383 204 HD13 LEU 23 HD13 LEU 23 34.067 2.676 6.725 205 HD21 LEU 23 HD21 LEU 23 31.467 0.564 5.719 206 HD22 LEU 23 HD22 LEU 23 31.920 2.235 6.054 207 HD23 LEU 23 HD23 LEU 23 32.272 0.972 7.233 208 H ALA 24 HN ALA 24 35.685 -0.751 5.400 209 HA ALA 24 HA ALA 24 37.829 1.207 5.540 210 HB1 ALA 24 HB1 ALA 24 38.793 -0.351 7.230 211 HB2 ALA 24 HB2 ALA 24 37.535 -1.523 6.835 212 HB3 ALA 24 HB3 ALA 24 37.102 0.025 7.559 213 H LEU 25 HN LEU 25 37.598 -2.185 4.496 214 HA LEU 25 HA LEU 25 40.333 -2.349 3.583 215 HB2 LEU 25 HB2 LEU 25 37.838 -3.973 3.164 216 HB3 LEU 25 HB1 LEU 25 39.229 -4.256 2.119 217 HG LEU 25 HG LEU 25 40.636 -4.510 4.207 218 HD11 LEU 25 HD11 LEU 25 39.267 -5.095 6.279 219 HD12 LEU 25 HD12 LEU 25 37.885 -4.362 5.468 220 HD13 LEU 25 HD13 LEU 25 39.302 -3.384 5.854 221 HD21 LEU 25 HD21 LEU 25 39.965 -6.513 3.075 222 HD22 LEU 25 HD22 LEU 25 38.311 -6.377 3.672 223 HD23 LEU 25 HD23 LEU 25 39.620 -6.780 4.783 224 H MET 26 HN MET 26 37.276 -1.424 2.086 225 HA MET 26 HA MET 26 38.146 -1.404 -0.607 226 HB2 MET 26 HB2 MET 26 35.794 -1.214 -0.101 227 HB3 MET 26 HB1 MET 26 36.057 0.269 0.810 228 HG2 MET 26 HG2 MET 26 37.124 0.456 -1.902 229 HG3 MET 26 HG1 MET 26 35.401 0.091 -1.898 230 HE1 MET 26 HE1 MET 26 36.169 2.597 -3.239 231 HE2 MET 26 HE2 MET 26 37.674 2.789 -2.342 232 HE3 MET 26 HE3 MET 26 36.463 4.067 -2.297 233 H ALA 27 HN ALA 27 37.680 1.530 1.405 234 HA ALA 27 HA ALA 27 39.479 3.038 -0.313 235 HB1 ALA 27 HB1 ALA 27 38.260 3.706 2.385 236 HB2 ALA 27 HB2 ALA 27 37.617 4.161 0.808 237 HB3 ALA 27 HB3 ALA 27 39.139 4.850 1.370 238 H HIS 28 HN HIS 28 40.797 0.758 0.699 239 HA HIS 28 HA HIS 28 43.176 1.998 1.761 240 HB2 HIS 28 HB2 HIS 28 41.587 1.693 3.813 241 HB3 HIS 28 HB1 HIS 28 41.983 -0.018 3.661 242 HD1 HIS 28 HD1 HIS 28 44.678 -0.550 3.635 243 HD2 HIS 28 HD2 HIS 28 43.511 3.159 5.163 244 HE1 HIS 28 HE1 HIS 28 46.659 0.355 4.936 245 HE2 HIS 28 HE2 HIS 28 45.958 2.604 5.875 246 H SER 29 HN SER 29 41.699 -1.229 2.152 247 HA SER 29 HA SER 29 44.062 -2.599 1.215 248 HB2 SER 29 HB2 SER 29 41.407 -3.314 2.182 249 HB3 SER 29 HB1 SER 29 41.874 -4.323 0.823 250 HG SER 29 HG SER 29 42.662 -5.231 2.732 251 H LEU 30 HN LEU 30 41.014 -1.583 -0.299 252 HA LEU 30 HA LEU 30 42.047 -2.475 -2.948 253 HB2 LEU 30 HB2 LEU 30 39.389 -1.450 -1.973 254 HB3 LEU 30 HB1 LEU 30 39.775 -1.450 -3.688 255 HG LEU 30 HG LEU 30 40.547 -3.995 -2.781 256 HD11 LEU 30 HD11 LEU 30 37.771 -3.315 -1.769 257 HD12 LEU 30 HD12 LEU 30 39.185 -3.485 -0.728 258 HD13 LEU 30 HD13 LEU 30 38.594 -4.870 -1.646 259 HD21 LEU 30 HD21 LEU 30 38.161 -2.924 -4.303 260 HD22 LEU 30 HD22 LEU 30 38.450 -4.653 -4.107 261 HD23 LEU 30 HD23 LEU 30 39.629 -3.653 -4.954 262 H ALA 31 HN ALA 31 43.693 -0.588 -1.968 263 HA ALA 31 HA ALA 31 42.929 2.136 -2.393 264 HB1 ALA 31 HB1 ALA 31 45.514 2.377 -2.782 265 HB2 ALA 31 HB2 ALA 31 45.560 0.679 -2.304 266 HB3 ALA 31 HB3 ALA 31 44.925 1.892 -1.192 267 H THR 32 HN THR 32 41.664 1.445 -4.447 268 HA THR 32 HA THR 32 43.251 2.297 -6.788 269 HB THR 32 HB THR 32 42.021 0.290 -8.037 270 HG1 THR 32 HG1 THR 32 41.649 -0.235 -5.419 271 HG21 THR 32 HG21 THR 32 44.056 -0.945 -7.963 272 HG22 THR 32 HG22 THR 32 44.453 -0.340 -6.355 273 HG23 THR 32 HG23 THR 32 44.522 0.741 -7.748 274 H THR 33 HN THR 33 41.726 2.844 -8.624 275 HA THR 33 HA THR 33 39.152 3.812 -7.503 276 HB THR 33 HB THR 33 39.071 5.298 -9.402 277 HG1 THR 33 HG1 THR 33 39.786 3.721 -10.914 278 HG21 THR 33 HG21 THR 33 40.775 5.741 -7.549 279 HG22 THR 33 HG22 THR 33 41.053 6.576 -9.074 280 HG23 THR 33 HG23 THR 33 41.997 5.145 -8.668 Start of MODEL 15 1 H1 ASP 1 HT1 ASP 1 6.714 0.547 0.628 2 H2 ASP 1 HT2 ASP 1 6.148 -1.041 0.431 3 H3 ASP 1 HT3 ASP 1 7.602 -0.562 -0.305 4 HA ASP 1 HA ASP 1 7.387 -1.822 2.095 5 HB2 ASP 1 HB2 ASP 1 9.669 0.033 1.395 6 HB3 ASP 1 HB1 ASP 1 9.740 -1.539 2.186 7 H VAL 2 HN VAL 2 9.039 -0.523 3.927 8 HA VAL 2 HA VAL 2 7.403 1.256 5.440 9 HB VAL 2 HB VAL 2 9.541 0.226 6.244 10 HG11 VAL 2 HG11 VAL 2 11.664 0.987 5.539 11 HG12 VAL 2 HG12 VAL 2 10.970 2.370 4.692 12 HG13 VAL 2 HG13 VAL 2 10.751 0.740 4.051 13 HG21 VAL 2 HG21 VAL 2 9.898 3.197 6.426 14 HG22 VAL 2 HG22 VAL 2 10.062 1.980 7.694 15 HG23 VAL 2 HG23 VAL 2 8.460 2.453 7.128 16 H ARG 3 HN ARG 3 9.545 1.641 2.775 17 HA ARG 3 HA ARG 3 8.534 4.384 2.303 18 HB2 ARG 3 HB2 ARG 3 11.409 3.414 2.277 19 HB3 ARG 3 HB1 ARG 3 10.893 4.925 1.553 20 HG2 ARG 3 HG2 ARG 3 10.188 5.825 3.648 21 HG3 ARG 3 HG1 ARG 3 10.288 4.251 4.432 22 HD2 ARG 3 HD2 ARG 3 12.246 5.365 5.138 23 HD3 ARG 3 HD1 ARG 3 12.803 4.321 3.831 24 HE ARG 3 HE ARG 3 12.125 6.781 2.630 25 HH11 ARG 3 HH21 ARG 3 14.258 5.583 5.087 26 HH12 ARG 3 HH22 ARG 3 15.474 6.781 4.794 27 HH21 ARG 3 HH11 ARG 3 13.702 8.351 2.248 28 HH22 ARG 3 HH12 ARG 3 15.174 8.335 3.167 29 H LEU 4 HN LEU 4 11.042 3.342 0.256 30 HA LEU 4 HA LEU 4 9.208 1.792 -1.486 31 HB2 LEU 4 HB2 LEU 4 10.419 4.396 -2.135 32 HB3 LEU 4 HB1 LEU 4 10.797 3.142 -3.315 33 HG LEU 4 HG LEU 4 8.192 2.617 -3.078 34 HD11 LEU 4 HD11 LEU 4 8.411 5.567 -2.397 35 HD12 LEU 4 HD12 LEU 4 7.799 4.302 -1.328 36 HD13 LEU 4 HD13 LEU 4 6.916 4.720 -2.797 37 HD21 LEU 4 HD21 LEU 4 7.836 4.370 -4.937 38 HD22 LEU 4 HD22 LEU 4 9.099 3.168 -5.211 39 HD23 LEU 4 HD23 LEU 4 9.529 4.798 -4.693 40 H ALA 5 HN ALA 5 10.191 -0.059 -2.107 41 HA ALA 5 HA ALA 5 12.567 -1.040 -1.113 42 HB1 ALA 5 HB1 ALA 5 11.463 -1.582 -3.894 43 HB2 ALA 5 HB2 ALA 5 11.004 -2.434 -2.418 44 HB3 ALA 5 HB3 ALA 5 12.643 -2.590 -3.053 45 H LYS 6 HN LYS 6 12.171 0.775 -4.120 46 HA LYS 6 HA LYS 6 14.713 0.816 -5.196 47 HB2 LYS 6 HB2 LYS 6 12.653 2.110 -5.991 48 HB3 LYS 6 HB1 LYS 6 13.080 3.342 -4.810 49 HG2 LYS 6 HG2 LYS 6 14.058 4.036 -6.886 50 HG3 LYS 6 HG1 LYS 6 15.377 3.430 -5.885 51 HD2 LYS 6 HD2 LYS 6 15.212 1.228 -7.042 52 HD3 LYS 6 HD1 LYS 6 13.955 1.898 -8.085 53 HE2 LYS 6 HE2 LYS 6 16.612 3.300 -7.855 54 HE3 LYS 6 HE1 LYS 6 16.443 1.904 -8.919 55 HZ1 LYS 6 HZ1 LYS 6 15.346 4.571 -9.180 56 HZ2 LYS 6 HZ2 LYS 6 14.272 3.312 -9.567 57 HZ3 LYS 6 HZ3 LYS 6 15.763 3.440 -10.371 58 H THR 7 HN THR 7 13.571 3.191 -2.771 59 HA THR 7 HA THR 7 16.015 4.430 -2.197 60 HB THR 7 HB THR 7 14.592 3.980 0.270 61 HG1 THR 7 HG1 THR 7 12.903 3.290 -1.135 62 HG21 THR 7 HG21 THR 7 14.495 6.366 -1.592 63 HG22 THR 7 HG22 THR 7 15.846 6.025 -0.509 64 HG23 THR 7 HG23 THR 7 14.246 6.363 0.156 65 H LEU 8 HN LEU 8 14.608 1.576 -0.616 66 HA LEU 8 HA LEU 8 16.861 0.943 1.017 67 HB2 LEU 8 HB2 LEU 8 14.621 -0.728 -0.151 68 HB3 LEU 8 HB1 LEU 8 15.835 -1.399 0.927 69 HG LEU 8 HG LEU 8 14.028 0.946 1.597 70 HD11 LEU 8 HD11 LEU 8 13.018 -0.697 3.212 71 HD12 LEU 8 HD12 LEU 8 13.959 -1.971 2.435 72 HD13 LEU 8 HD13 LEU 8 12.725 -1.100 1.519 73 HD21 LEU 8 HD21 LEU 8 16.271 -0.470 3.014 74 HD22 LEU 8 HD22 LEU 8 14.944 0.208 3.959 75 HD23 LEU 8 HD23 LEU 8 15.919 1.257 2.932 76 H GLY 9 HN GLY 9 15.890 -0.145 -2.225 77 HA2 GLY 9 HA2 GLY 9 18.038 -1.913 -2.739 78 HA3 GLY 9 HA1 GLY 9 17.167 -1.018 -3.981 79 H LEU 10 HN LEU 10 17.745 1.585 -3.371 80 HA LEU 10 HA LEU 10 20.387 1.928 -4.422 81 HB2 LEU 10 HB2 LEU 10 18.463 3.802 -3.031 82 HB3 LEU 10 HB1 LEU 10 20.054 4.338 -3.572 83 HG LEU 10 HG LEU 10 18.234 2.884 -5.480 84 HD11 LEU 10 HD11 LEU 10 18.129 5.819 -4.734 85 HD12 LEU 10 HD12 LEU 10 16.814 4.646 -4.663 86 HD13 LEU 10 HD13 LEU 10 17.447 5.166 -6.223 87 HD21 LEU 10 HD21 LEU 10 20.370 5.019 -5.796 88 HD22 LEU 10 HD22 LEU 10 19.482 4.263 -7.118 89 HD23 LEU 10 HD23 LEU 10 20.574 3.298 -6.125 90 H VAL 11 HN VAL 11 19.119 2.558 -1.131 91 HA VAL 11 HA VAL 11 21.561 3.157 0.126 92 HB VAL 11 HB VAL 11 19.284 1.517 1.290 93 HG11 VAL 11 HG11 VAL 11 20.091 2.556 3.442 94 HG12 VAL 11 HG12 VAL 11 21.497 3.160 2.563 95 HG13 VAL 11 HG13 VAL 11 21.235 1.421 2.725 96 HG21 VAL 11 HG21 VAL 11 19.453 4.374 1.956 97 HG22 VAL 11 HG22 VAL 11 18.058 3.419 1.460 98 HG23 VAL 11 HG23 VAL 11 19.148 4.081 0.246 99 H LEU 12 HN LEU 12 20.046 -0.043 -0.331 100 HA LEU 12 HA LEU 12 22.176 -1.580 0.788 101 HB2 LEU 12 HB2 LEU 12 19.806 -2.346 0.071 102 HB3 LEU 12 HB1 LEU 12 20.491 -2.492 -1.547 103 HG LEU 12 HG LEU 12 22.383 -3.756 0.047 104 HD11 LEU 12 HD11 LEU 12 20.832 -3.691 1.966 105 HD12 LEU 12 HD12 LEU 12 21.088 -5.347 1.421 106 HD13 LEU 12 HD13 LEU 12 19.597 -4.502 1.002 107 HD21 LEU 12 HD21 LEU 12 20.020 -5.042 -1.364 108 HD22 LEU 12 HD22 LEU 12 21.580 -5.797 -1.028 109 HD23 LEU 12 HD23 LEU 12 21.475 -4.462 -2.178 110 H ALA 13 HN ALA 13 21.477 -0.828 -2.645 111 HA ALA 13 HA ALA 13 23.813 -1.963 -3.751 112 HB1 ALA 13 HB1 ALA 13 23.473 -0.421 -5.649 113 HB2 ALA 13 HB2 ALA 13 22.366 0.543 -4.670 114 HB3 ALA 13 HB3 ALA 13 21.935 -1.108 -5.121 115 H VAL 14 HN VAL 14 23.326 1.210 -2.255 116 HA VAL 14 HA VAL 14 26.043 2.091 -2.878 117 HB VAL 14 HB VAL 14 24.084 3.216 -0.841 118 HG11 VAL 14 HG11 VAL 14 25.419 5.210 -0.943 119 HG12 VAL 14 HG12 VAL 14 26.353 4.593 -2.305 120 HG13 VAL 14 HG13 VAL 14 26.545 3.874 -0.707 121 HG21 VAL 14 HG21 VAL 14 22.989 4.311 -2.520 122 HG22 VAL 14 HG22 VAL 14 23.647 3.044 -3.551 123 HG23 VAL 14 HG23 VAL 14 24.474 4.597 -3.429 124 H LEU 15 HN LEU 15 24.326 0.949 0.048 125 HA LEU 15 HA LEU 15 26.600 1.004 1.761 126 HB2 LEU 15 HB2 LEU 15 24.779 0.552 3.056 127 HB3 LEU 15 HB1 LEU 15 23.945 -0.318 1.772 128 HG LEU 15 HG LEU 15 26.350 -1.680 2.824 129 HD11 LEU 15 HD11 LEU 15 25.340 -2.396 4.901 130 HD12 LEU 15 HD12 LEU 15 23.861 -1.506 4.543 131 HD13 LEU 15 HD13 LEU 15 25.352 -0.633 4.886 132 HD21 LEU 15 HD21 LEU 15 25.002 -3.618 2.515 133 HD22 LEU 15 HD22 LEU 15 24.570 -2.550 1.180 134 HD23 LEU 15 HD23 LEU 15 23.509 -2.684 2.583 135 H LEU 16 HN LEU 16 25.391 -1.478 -0.480 136 HA LEU 16 HA LEU 16 27.197 -3.552 0.081 137 HB2 LEU 16 HB2 LEU 16 25.864 -2.609 -2.436 138 HB3 LEU 16 HB1 LEU 16 27.085 -3.876 -2.538 139 HG LEU 16 HG LEU 16 24.673 -3.982 -0.698 140 HD11 LEU 16 HD11 LEU 16 23.894 -5.746 -2.327 141 HD12 LEU 16 HD12 LEU 16 25.176 -5.214 -3.420 142 HD13 LEU 16 HD13 LEU 16 23.879 -4.102 -2.969 143 HD21 LEU 16 HD21 LEU 16 25.468 -6.529 -0.978 144 HD22 LEU 16 HD22 LEU 16 26.142 -5.477 0.265 145 HD23 LEU 16 HD23 LEU 16 27.023 -5.741 -1.240 146 H ILE 17 HN ILE 17 27.904 -0.403 -1.014 147 HA ILE 17 HA ILE 17 30.718 -1.241 -1.501 148 HB ILE 17 HB ILE 17 29.418 -0.714 -3.638 149 HG12 ILE 17 HG12 ILE 17 31.714 1.191 -3.151 150 HG13 ILE 17 HG11 ILE 17 31.957 -0.551 -3.291 151 HG21 ILE 17 HG21 ILE 17 29.486 2.048 -2.403 152 HG22 ILE 17 HG22 ILE 17 28.067 1.137 -2.912 153 HG23 ILE 17 HG23 ILE 17 29.198 1.748 -4.116 154 HD11 ILE 17 HD11 ILE 17 30.661 -0.413 -5.489 155 HD12 ILE 17 HD12 ILE 17 32.266 0.316 -5.490 156 HD13 ILE 17 HD13 ILE 17 30.833 1.337 -5.363 157 H CYS 18 HN CYS 18 28.908 0.140 0.669 158 HA CYS 18 HA CYS 18 30.979 2.069 1.471 159 HB2 CYS 18 HB2 CYS 18 28.239 2.885 0.581 160 HB3 CYS 18 HB1 CYS 18 29.009 3.772 1.895 161 HG CYS 18 HG CYS 18 30.717 3.420 -0.660 162 H TRP 19 HN TRP 19 28.680 -0.221 2.181 163 HA TRP 19 HA TRP 19 27.268 -0.077 4.353 164 HB2 TRP 19 HB2 TRP 19 29.299 -1.880 5.288 165 HB3 TRP 19 HB1 TRP 19 27.746 -2.256 4.561 166 HD1 TRP 19 HD1 TRP 19 28.076 -3.817 2.594 167 HE1 TRP 19 HE1 TRP 19 29.741 -3.994 0.629 168 HE3 TRP 19 HE3 TRP 19 31.249 -0.003 3.777 169 HZ2 TRP 19 HZ2 TRP 19 32.099 -2.687 -0.316 170 HZ3 TRP 19 HZ3 TRP 19 33.184 0.520 2.324 171 HH2 TRP 19 HH2 TRP 19 33.614 -0.813 0.285 172 H PHE 20 HN PHE 20 30.283 -0.840 5.908 173 HA PHE 20 HA PHE 20 30.450 1.820 7.175 174 HB2 PHE 20 HB2 PHE 20 30.344 -0.404 9.154 175 HB3 PHE 20 HB1 PHE 20 29.788 1.254 9.296 176 HD1 PHE 20 HD1 PHE 20 27.648 1.933 8.042 177 HD2 PHE 20 HD2 PHE 20 28.802 -2.156 8.669 178 HE1 PHE 20 HE1 PHE 20 25.318 1.209 7.614 179 HE2 PHE 20 HE2 PHE 20 26.473 -2.882 8.230 180 HZ PHE 20 HZ PHE 20 24.729 -1.199 7.704 181 HA PRO 21 HA PRO 21 34.247 -0.603 8.479 182 HB2 PRO 21 HB2 PRO 21 34.326 -3.322 8.318 183 HB3 PRO 21 HB1 PRO 21 33.548 -2.451 9.651 184 HG2 PRO 21 HG2 PRO 21 32.330 -3.994 7.487 185 HG3 PRO 21 HG1 PRO 21 31.638 -3.467 9.026 186 HD2 PRO 21 HD2 PRO 21 31.294 -2.270 6.404 187 HD3 PRO 21 HD1 PRO 21 30.512 -1.824 7.932 188 H VAL 22 HN VAL 22 33.039 -2.545 5.748 189 HA VAL 22 HA VAL 22 35.499 -3.169 4.552 190 HB VAL 22 HB VAL 22 33.128 -2.496 2.833 191 HG11 VAL 22 HG11 VAL 22 35.146 -3.435 1.796 192 HG12 VAL 22 HG12 VAL 22 33.826 -4.603 1.724 193 HG13 VAL 22 HG13 VAL 22 35.105 -4.793 2.920 194 HG21 VAL 22 HG21 VAL 22 33.271 -4.571 5.006 195 HG22 VAL 22 HG22 VAL 22 32.403 -4.941 3.518 196 HG23 VAL 22 HG23 VAL 22 31.904 -3.572 4.510 197 H LEU 23 HN LEU 23 34.042 -0.071 4.857 198 HA LEU 23 HA LEU 23 35.258 1.103 2.500 199 HB2 LEU 23 HB2 LEU 23 34.636 3.225 3.397 200 HB3 LEU 23 HB1 LEU 23 33.333 2.123 3.827 201 HG LEU 23 HG LEU 23 34.718 1.791 6.042 202 HD11 LEU 23 HD11 LEU 23 35.491 4.593 5.951 203 HD12 LEU 23 HD12 LEU 23 36.351 3.667 4.727 204 HD13 LEU 23 HD13 LEU 23 36.450 3.193 6.421 205 HD21 LEU 23 HD21 LEU 23 33.455 3.605 7.070 206 HD22 LEU 23 HD22 LEU 23 32.466 2.842 5.828 207 HD23 LEU 23 HD23 LEU 23 33.247 4.389 5.506 208 H ALA 24 HN ALA 24 36.209 0.748 5.894 209 HA ALA 24 HA ALA 24 38.721 2.144 5.655 210 HB1 ALA 24 HB1 ALA 24 37.729 1.580 7.852 211 HB2 ALA 24 HB2 ALA 24 39.349 0.904 7.700 212 HB3 ALA 24 HB3 ALA 24 37.938 -0.138 7.505 213 H LEU 25 HN LEU 25 37.748 -1.245 5.315 214 HA LEU 25 HA LEU 25 40.346 -2.229 4.531 215 HB2 LEU 25 HB2 LEU 25 37.609 -3.236 4.668 216 HB3 LEU 25 HB1 LEU 25 38.443 -3.810 3.229 217 HG LEU 25 HG LEU 25 40.383 -4.443 4.758 218 HD11 LEU 25 HD11 LEU 25 40.242 -3.625 6.863 219 HD12 LEU 25 HD12 LEU 25 39.039 -4.882 7.156 220 HD13 LEU 25 HD13 LEU 25 38.525 -3.262 6.688 221 HD21 LEU 25 HD21 LEU 25 39.523 -6.564 4.917 222 HD22 LEU 25 HD22 LEU 25 38.221 -5.875 3.950 223 HD23 LEU 25 HD23 LEU 25 38.039 -6.019 5.700 224 H MET 26 HN MET 26 37.426 -1.502 2.589 225 HA MET 26 HA MET 26 38.425 -1.710 0.024 226 HB2 MET 26 HB2 MET 26 36.118 -1.076 0.423 227 HB3 MET 26 HB1 MET 26 36.617 0.448 1.149 228 HG2 MET 26 HG2 MET 26 37.705 1.019 -1.089 229 HG3 MET 26 HG1 MET 26 36.882 -0.391 -1.752 230 HE1 MET 26 HE1 MET 26 36.838 3.151 -0.677 231 HE2 MET 26 HE2 MET 26 36.011 2.568 0.767 232 HE3 MET 26 HE3 MET 26 35.150 3.599 -0.374 233 H ALA 27 HN ALA 27 38.875 1.089 2.201 234 HA ALA 27 HA ALA 27 40.302 2.760 0.411 235 HB1 ALA 27 HB1 ALA 27 40.823 2.402 3.380 236 HB2 ALA 27 HB2 ALA 27 39.567 3.436 2.698 237 HB3 ALA 27 HB3 ALA 27 41.267 3.803 2.405 238 H HIS 28 HN HIS 28 41.181 -0.253 1.777 239 HA HIS 28 HA HIS 28 43.953 0.080 0.708 240 HB2 HIS 28 HB2 HIS 28 43.218 -0.430 3.387 241 HB3 HIS 28 HB1 HIS 28 43.769 -1.973 2.747 242 HD1 HIS 28 HD1 HIS 28 46.009 -1.170 0.879 243 HD2 HIS 28 HD2 HIS 28 45.457 0.644 4.602 244 HE1 HIS 28 HE1 HIS 28 48.219 -0.092 1.494 245 HE2 HIS 28 HE2 HIS 28 47.904 0.993 3.768 246 H SER 29 HN SER 29 41.520 -2.328 1.711 247 HA SER 29 HA SER 29 42.366 -4.557 0.237 248 HB2 SER 29 HB2 SER 29 39.477 -3.692 0.435 249 HB3 SER 29 HB1 SER 29 40.112 -5.330 0.409 250 HG SER 29 HG SER 29 40.574 -5.186 2.473 251 H LEU 30 HN LEU 30 40.829 -1.605 -0.853 252 HA LEU 30 HA LEU 30 41.120 -2.566 -3.671 253 HB2 LEU 30 HB2 LEU 30 38.945 -1.006 -2.329 254 HB3 LEU 30 HB1 LEU 30 39.375 -0.552 -3.976 255 HG LEU 30 HG LEU 30 39.225 -3.147 -4.428 256 HD11 LEU 30 HD11 LEU 30 38.909 -3.830 -2.104 257 HD12 LEU 30 HD12 LEU 30 37.446 -4.185 -3.018 258 HD13 LEU 30 HD13 LEU 30 37.502 -2.778 -1.956 259 HD21 LEU 30 HD21 LEU 30 36.733 -1.475 -3.965 260 HD22 LEU 30 HD22 LEU 30 36.869 -2.871 -5.034 261 HD23 LEU 30 HD23 LEU 30 37.751 -1.392 -5.402 262 H ALA 31 HN ALA 31 40.944 0.382 -1.660 263 HA ALA 31 HA ALA 31 42.135 2.397 -1.810 264 HB1 ALA 31 HB1 ALA 31 44.509 1.034 -2.967 265 HB2 ALA 31 HB2 ALA 31 43.915 0.388 -1.439 266 HB3 ALA 31 HB3 ALA 31 44.388 2.084 -1.554 267 H THR 32 HN THR 32 44.264 2.985 -3.691 268 HA THR 32 HA THR 32 43.336 2.582 -6.400 269 HB THR 32 HB THR 32 43.023 5.391 -5.285 270 HG1 THR 32 HG1 THR 32 41.351 3.252 -5.203 271 HG21 THR 32 HG21 THR 32 43.492 5.463 -7.626 272 HG22 THR 32 HG22 THR 32 41.742 5.633 -7.489 273 HG23 THR 32 HG23 THR 32 42.444 4.083 -7.952 274 H THR 33 HN THR 33 44.833 3.665 -7.920 275 HA THR 33 HA THR 33 47.474 4.138 -6.651 276 HB THR 33 HB THR 33 48.157 4.163 -9.169 277 HG1 THR 33 HG1 THR 33 45.963 4.386 -9.854 278 HG21 THR 33 HG21 THR 33 48.581 2.302 -7.564 279 HG22 THR 33 HG22 THR 33 48.254 1.720 -9.197 280 HG23 THR 33 HG23 THR 33 46.998 1.633 -7.960
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