NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
512095 | 2l92 | 17434 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 71 H1 MET 71 -2.708 8.043 7.753 2 H2 MET 71 H2 MET 71 -3.733 7.491 8.906 3 H3 MET 71 H3 MET 71 -2.855 6.438 8.014 4 HA MET 71 HA MET 71 -4.023 7.052 5.995 5 HB2 MET 71 HB2 MET 71 -4.855 5.147 7.359 6 HB3 MET 71 HB3 MET 71 -5.925 6.238 8.246 7 HG2 MET 71 HG2 MET 71 -7.147 6.750 6.152 8 HG3 MET 71 HG3 MET 71 -6.033 5.716 5.245 9 HE1 MET 71 HE1 MET 71 -8.151 4.497 4.185 10 HE2 MET 71 HE2 MET 71 -9.431 3.728 5.151 11 HE3 MET 71 HE3 MET 71 -9.259 5.495 5.154 12 H SER 72 H SER 72 -4.799 8.794 4.931 13 HA SER 72 HA SER 72 -6.501 10.803 6.363 14 HB2 SER 72 HB2 SER 72 -5.174 12.558 5.236 15 HB3 SER 72 HB3 SER 72 -4.202 11.564 6.329 16 HG SER 72 HG SER 72 -3.149 11.884 4.305 17 H THR 73 H THR 73 -6.593 8.683 3.831 18 HA THR 73 HA THR 73 -8.599 10.275 2.298 19 HB THR 73 HB THR 73 -7.808 9.597 0.240 20 HG1 THR 73 HG1 THR 73 -5.772 8.541 0.009 21 HG21 THR 73 HG21 THR 73 -5.452 10.852 1.704 22 HG22 THR 73 HG22 THR 73 -5.787 10.930 -0.032 23 HG23 THR 73 HG23 THR 73 -6.886 11.722 1.109 24 H VAL 74 H VAL 74 -9.912 8.861 0.841 25 HA VAL 74 HA VAL 74 -10.070 6.023 1.613 26 HB VAL 74 HB VAL 74 -11.457 7.072 3.220 27 HG11 VAL 74 HG11 VAL 74 -12.060 9.192 2.061 28 HG12 VAL 74 HG12 VAL 74 -13.135 8.284 0.972 29 HG13 VAL 74 HG13 VAL 74 -13.480 8.370 2.711 30 HG21 VAL 74 HG21 VAL 74 -12.276 4.937 2.515 31 HG22 VAL 74 HG22 VAL 74 -13.620 6.002 2.901 32 HG23 VAL 74 HG23 VAL 74 -13.234 5.681 1.202 33 HA PRO 75 HA PRO 75 -10.836 5.404 -2.762 34 HB2 PRO 75 HB2 PRO 75 -12.796 3.380 -1.708 35 HB3 PRO 75 HB3 PRO 75 -11.643 3.247 -3.083 36 HG2 PRO 75 HG2 PRO 75 -11.028 2.165 -0.681 37 HG3 PRO 75 HG3 PRO 75 -9.787 3.094 -1.585 38 HD2 PRO 75 HD2 PRO 75 -11.473 4.001 0.749 39 HD3 PRO 75 HD3 PRO 75 -9.753 4.318 0.415 40 H LYS 76 H LYS 76 -12.259 5.821 -4.371 41 HA LYS 76 HA LYS 76 -14.970 6.907 -3.718 42 HB2 LYS 76 HB2 LYS 76 -13.339 8.676 -4.005 43 HB3 LYS 76 HB3 LYS 76 -13.007 8.160 -5.673 44 HG2 LYS 76 HG2 LYS 76 -15.341 8.648 -6.289 45 HG3 LYS 76 HG3 LYS 76 -15.744 9.005 -4.604 46 HD2 LYS 76 HD2 LYS 76 -14.211 10.945 -4.617 47 HD3 LYS 76 HD3 LYS 76 -13.684 10.539 -6.246 48 HE2 LYS 76 HE2 LYS 76 -15.209 12.320 -6.519 49 HE3 LYS 76 HE3 LYS 76 -16.046 10.869 -7.070 50 HZ1 LYS 76 HZ1 LYS 76 -16.409 12.156 -4.395 51 HZ2 LYS 76 HZ2 LYS 76 -17.458 12.265 -5.637 52 HZ3 LYS 76 HZ3 LYS 76 -17.226 10.828 -4.903 53 H TYR 77 H TYR 77 -12.990 5.125 -6.034 54 HA TYR 77 HA TYR 77 -15.477 4.212 -7.432 55 HB2 TYR 77 HB2 TYR 77 -12.858 4.916 -8.806 56 HB3 TYR 77 HB3 TYR 77 -14.350 4.412 -9.567 57 HD1 TYR 77 HD2 TYR 77 -12.590 7.174 -7.853 58 HD2 TYR 77 HD1 TYR 77 -16.115 6.044 -10.068 59 HE1 TYR 77 HE2 TYR 77 -13.097 9.573 -8.291 60 HE2 TYR 77 HE1 TYR 77 -16.601 8.428 -10.521 61 HH TYR 77 HH TYR 77 -15.938 10.627 -10.202 62 H ARG 78 H ARG 78 -15.371 2.100 -8.299 63 HA ARG 78 HA ARG 78 -12.872 0.554 -8.064 64 HB2 ARG 78 HB2 ARG 78 -14.086 0.259 -5.886 65 HB3 ARG 78 HB3 ARG 78 -15.430 -0.477 -6.767 66 HG2 ARG 78 HG2 ARG 78 -13.957 -2.286 -7.573 67 HG3 ARG 78 HG3 ARG 78 -12.552 -1.467 -6.892 68 HD2 ARG 78 HD2 ARG 78 -13.699 -1.709 -4.598 69 HD3 ARG 78 HD3 ARG 78 -14.819 -2.820 -5.414 70 HE ARG 78 HE ARG 78 -12.013 -3.450 -5.930 71 HH11 ARG 78 HH11 ARG 78 -14.486 -3.963 -3.492 72 HH12 ARG 78 HH12 ARG 78 -13.661 -5.349 -2.829 73 HH21 ARG 78 HH21 ARG 78 -11.024 -5.177 -5.058 74 HH22 ARG 78 HH22 ARG 78 -11.733 -6.028 -3.716 75 H ASP 79 H ASP 79 -12.529 -0.349 -9.916 76 HA ASP 79 HA ASP 79 -14.378 -0.528 -12.073 77 HB2 ASP 79 HB2 ASP 79 -12.023 -0.281 -12.461 78 HB3 ASP 79 HB3 ASP 79 -11.651 -1.737 -11.549 79 HA PRO 80 HA PRO 80 -16.146 -4.466 -10.604 80 HB2 PRO 80 HB2 PRO 80 -18.084 -4.857 -12.508 81 HB3 PRO 80 HB3 PRO 80 -18.214 -3.647 -11.197 82 HG2 PRO 80 HG2 PRO 80 -17.284 -3.201 -14.048 83 HG3 PRO 80 HG3 PRO 80 -18.502 -2.266 -13.121 84 HD2 PRO 80 HD2 PRO 80 -15.929 -1.430 -13.323 85 HD3 PRO 80 HD3 PRO 80 -16.837 -1.246 -11.791 86 H ALA 81 H ALA 81 -14.635 -4.002 -13.760 87 HA ALA 81 HA ALA 81 -14.857 -6.759 -14.634 88 HB1 ALA 81 HB1 ALA 81 -14.718 -4.840 -16.175 89 HB2 ALA 81 HB2 ALA 81 -13.080 -4.476 -15.592 90 HB3 ALA 81 HB3 ALA 81 -13.395 -5.998 -16.453 91 H THR 82 H THR 82 -12.354 -4.922 -12.905 92 HA THR 82 HA THR 82 -10.676 -7.410 -12.617 93 HB THR 82 HB THR 82 -8.764 -6.099 -12.631 94 HG1 THR 82 HG1 THR 82 -10.482 -3.896 -13.171 95 HG21 THR 82 HG21 THR 82 -10.436 -5.350 -15.045 96 HG22 THR 82 HG22 THR 82 -8.673 -5.575 -14.959 97 HG23 THR 82 HG23 THR 82 -9.768 -6.965 -14.718 98 H GLY 83 H GLY 83 -12.282 -4.896 -10.792 99 HA2 GLY 83 HA2 GLY 83 -12.578 -4.865 -8.492 100 HA3 GLY 83 HA3 GLY 83 -11.229 -5.974 -8.262 101 H LYS 84 H LYS 84 -10.049 -3.589 -10.264 102 HA LYS 84 HA LYS 84 -8.311 -2.370 -8.344 103 HB2 LYS 84 HB2 LYS 84 -9.091 -1.638 -11.192 104 HB3 LYS 84 HB3 LYS 84 -7.868 -0.757 -10.266 105 HG2 LYS 84 HG2 LYS 84 -6.580 -2.816 -9.914 106 HG3 LYS 84 HG3 LYS 84 -7.770 -3.756 -10.824 107 HD2 LYS 84 HD2 LYS 84 -7.338 -2.360 -12.848 108 HD3 LYS 84 HD3 LYS 84 -6.078 -1.477 -11.947 109 HE2 LYS 84 HE2 LYS 84 -4.865 -3.628 -11.575 110 HE3 LYS 84 HE3 LYS 84 -6.111 -4.485 -12.491 111 HZ1 LYS 84 HZ1 LYS 84 -4.193 -3.959 -13.894 112 HZ2 LYS 84 HZ2 LYS 84 -5.499 -3.157 -14.451 113 HZ3 LYS 84 HZ3 LYS 84 -4.342 -2.363 -13.605 114 H THR 85 H THR 85 -8.213 -0.301 -7.483 115 HA THR 85 HA THR 85 -10.806 1.195 -7.285 116 HB THR 85 HB THR 85 -10.012 1.794 -4.960 117 HG1 THR 85 HG1 THR 85 -8.444 0.406 -4.052 118 HG21 THR 85 HG21 THR 85 -10.512 -1.161 -5.484 119 HG22 THR 85 HG22 THR 85 -10.681 -0.332 -3.920 120 HG23 THR 85 HG23 THR 85 -11.741 0.110 -5.264 121 H TRP 86 H TRP 86 -10.748 3.413 -6.777 122 HA TRP 86 HA TRP 86 -8.203 4.865 -6.798 123 HB2 TRP 86 HB2 TRP 86 -8.726 4.662 -9.197 124 HB3 TRP 86 HB3 TRP 86 -10.309 5.383 -8.930 125 HD1 TRP 86 HD1 TRP 86 -6.648 6.449 -8.091 126 HE1 TRP 86 HE1 TRP 86 -6.392 8.962 -8.572 127 HE3 TRP 86 HE3 TRP 86 -11.316 7.405 -9.937 128 HZ2 TRP 86 HZ2 TRP 86 -7.992 11.097 -9.664 129 HZ3 TRP 86 HZ3 TRP 86 -11.943 9.697 -10.657 130 HH2 TRP 86 HH2 TRP 86 -10.329 11.550 -10.448 131 H SER 87 H SER 87 -8.530 7.189 -6.228 132 HA SER 87 HA SER 87 -10.884 7.493 -4.380 133 HB2 SER 87 HB2 SER 87 -8.027 8.302 -3.826 134 HB3 SER 87 HB3 SER 87 -9.403 8.228 -2.699 135 HG SER 87 HG SER 87 -7.892 6.399 -2.601 136 H GLY 88 H GLY 88 -10.130 8.968 -7.097 137 HA2 GLY 88 HA2 GLY 88 -10.848 11.063 -7.847 138 HA3 GLY 88 HA3 GLY 88 -11.280 11.497 -6.206 139 H ARG 89 H ARG 89 -7.996 10.475 -6.582 140 HA ARG 89 HA ARG 89 -6.932 13.269 -6.711 141 HB2 ARG 89 HB2 ARG 89 -6.340 11.196 -4.544 142 HB3 ARG 89 HB3 ARG 89 -5.427 12.692 -4.775 143 HG2 ARG 89 HG2 ARG 89 -7.469 14.033 -4.348 144 HG3 ARG 89 HG3 ARG 89 -8.399 12.546 -4.088 145 HD2 ARG 89 HD2 ARG 89 -6.935 11.920 -2.214 146 HD3 ARG 89 HD3 ARG 89 -5.971 13.378 -2.442 147 HE ARG 89 HE ARG 89 -8.713 13.169 -1.329 148 HH11 ARG 89 HH11 ARG 89 -6.212 15.424 -2.336 149 HH12 ARG 89 HH12 ARG 89 -6.930 16.746 -1.454 150 HH21 ARG 89 HH21 ARG 89 -9.562 14.903 -0.229 151 HH22 ARG 89 HH22 ARG 89 -8.781 16.453 -0.312 152 H GLY 90 H GLY 90 -4.699 13.433 -7.244 153 HA2 GLY 90 HA2 GLY 90 -2.824 12.900 -8.512 154 HA3 GLY 90 HA3 GLY 90 -3.085 11.201 -8.130 155 H ARG 91 H ARG 91 -2.285 11.003 -10.404 156 HA ARG 91 HA ARG 91 -3.770 11.777 -12.707 157 HB2 ARG 91 HB2 ARG 91 -1.494 11.044 -12.752 158 HB3 ARG 91 HB3 ARG 91 -1.974 9.396 -12.296 159 HG2 ARG 91 HG2 ARG 91 -1.579 9.375 -14.639 160 HG3 ARG 91 HG3 ARG 91 -3.332 9.312 -14.440 161 HD2 ARG 91 HD2 ARG 91 -3.461 11.756 -14.925 162 HD3 ARG 91 HD3 ARG 91 -1.696 11.793 -15.112 163 HE ARG 91 HE ARG 91 -2.801 9.792 -16.839 164 HH11 ARG 91 HH11 ARG 91 -2.602 13.293 -16.657 165 HH12 ARG 91 HH12 ARG 91 -2.759 13.479 -18.382 166 HH21 ARG 91 HH21 ARG 91 -3.006 10.107 -19.033 167 HH22 ARG 91 HH22 ARG 91 -2.971 11.718 -19.688 168 H GLN 92 H GLN 92 -5.622 11.121 -13.527 169 HA GLN 92 HA GLN 92 -7.373 9.285 -12.223 170 HB2 GLN 92 HB2 GLN 92 -8.012 11.332 -13.484 171 HB3 GLN 92 HB3 GLN 92 -7.558 10.524 -14.999 172 HG2 GLN 92 HG2 GLN 92 -9.259 8.764 -14.513 173 HG3 GLN 92 HG3 GLN 92 -9.704 9.631 -13.036 174 HE21 GLN 92 HE22 GLN 92 -9.746 9.778 -16.630 175 HE22 GLN 92 HE21 GLN 92 -10.980 11.024 -16.700 176 HA PRO 93 HA PRO 93 -6.089 5.429 -14.288 177 HB2 PRO 93 HB2 PRO 93 -8.911 4.549 -13.789 178 HB3 PRO 93 HB3 PRO 93 -7.362 3.748 -13.371 179 HG2 PRO 93 HG2 PRO 93 -8.909 5.016 -11.506 180 HG3 PRO 93 HG3 PRO 93 -7.113 5.039 -11.426 181 HD2 PRO 93 HD2 PRO 93 -8.986 7.191 -12.388 182 HD3 PRO 93 HD3 PRO 93 -7.463 7.319 -11.452 183 H ALA 94 H ALA 94 -6.518 4.213 -16.229 184 HA ALA 94 HA ALA 94 -7.749 5.610 -18.399 185 HB1 ALA 94 HB1 ALA 94 -5.868 4.059 -18.661 186 HB2 ALA 94 HB2 ALA 94 -6.888 2.693 -18.152 187 HB3 ALA 94 HB3 ALA 94 -7.243 3.553 -19.664 188 H TRP 95 H TRP 95 -8.944 2.822 -16.453 189 HA TRP 95 HA TRP 95 -11.365 2.383 -17.906 190 HB2 TRP 95 HB2 TRP 95 -12.114 1.213 -15.836 191 HB3 TRP 95 HB3 TRP 95 -10.576 0.673 -16.487 192 HD1 TRP 95 HD1 TRP 95 -8.432 0.990 -15.016 193 HE1 TRP 95 HE1 TRP 95 -8.075 1.400 -12.511 194 HE3 TRP 95 HE3 TRP 95 -13.210 2.403 -13.718 195 HZ2 TRP 95 HZ2 TRP 95 -9.633 2.210 -10.244 196 HZ3 TRP 95 HZ3 TRP 95 -13.730 2.919 -11.360 197 HH2 TRP 95 HH2 TRP 95 -11.965 2.835 -9.628 198 H LEU 96 H LEU 96 -10.599 4.844 -15.550 199 HA LEU 96 HA LEU 96 -13.245 5.613 -14.823 200 HB2 LEU 96 HB2 LEU 96 -10.628 6.352 -14.153 201 HB3 LEU 96 HB3 LEU 96 -11.215 7.756 -15.015 202 HG LEU 96 HG LEU 96 -11.489 8.031 -12.653 203 HD11 LEU 96 HD11 LEU 96 -13.853 8.541 -12.429 204 HD12 LEU 96 HD12 LEU 96 -13.244 9.034 -14.014 205 HD13 LEU 96 HD13 LEU 96 -14.226 7.566 -13.867 206 HD21 LEU 96 HD21 LEU 96 -13.064 5.431 -12.677 207 HD22 LEU 96 HD22 LEU 96 -11.520 5.756 -11.888 208 HD23 LEU 96 HD23 LEU 96 -12.992 6.560 -11.314 209 H GLY 97 H GLY 97 -11.385 6.202 -17.732 210 HA2 GLY 97 HA2 GLY 97 -12.679 8.661 -18.530 211 HA3 GLY 97 HA3 GLY 97 -11.490 7.729 -19.438 212 H ASN 98 H ASN 98 -14.797 6.865 -18.306 213 HA ASN 98 HA ASN 98 -15.778 6.814 -21.111 214 HB2 ASN 98 HB2 ASN 98 -14.841 4.565 -20.778 215 HB3 ASN 98 HB3 ASN 98 -15.784 4.356 -19.305 216 HD21 ASN 98 HD22 ASN 98 -17.279 2.763 -19.845 217 HD22 ASN 98 HD21 ASN 98 -18.313 2.853 -21.263 218 H ASP 99 H ASP 99 -16.888 5.788 -17.813 219 HA ASP 99 HA ASP 99 -19.062 7.770 -17.877 220 HB2 ASP 99 HB2 ASP 99 -20.005 5.941 -19.212 221 HB3 ASP 99 HB3 ASP 99 -19.666 4.792 -17.920 222 HA PRO 100 HA PRO 100 -16.880 7.137 -13.843 223 HB2 PRO 100 HB2 PRO 100 -18.305 9.739 -13.401 224 HB3 PRO 100 HB3 PRO 100 -16.679 9.194 -12.856 225 HG2 PRO 100 HG2 PRO 100 -16.914 10.766 -15.055 226 HG3 PRO 100 HG3 PRO 100 -15.783 9.376 -15.050 227 HD2 PRO 100 HD2 PRO 100 -18.522 9.563 -16.297 228 HD3 PRO 100 HD3 PRO 100 -17.036 8.781 -16.917 229 H ALA 101 H ALA 101 -20.356 7.886 -14.212 230 HA ALA 101 HA ALA 101 -21.150 7.265 -11.559 231 HB1 ALA 101 HB1 ALA 101 -23.414 7.212 -12.533 232 HB2 ALA 101 HB2 ALA 101 -22.487 8.599 -13.140 233 HB3 ALA 101 HB3 ALA 101 -22.719 7.163 -14.168 234 H ALA 102 H ALA 102 -20.336 5.079 -14.204 235 HA ALA 102 HA ALA 102 -22.051 2.909 -13.492 236 HB1 ALA 102 HB1 ALA 102 -19.418 2.923 -15.029 237 HB2 ALA 102 HB2 ALA 102 -20.646 1.638 -15.054 238 HB3 ALA 102 HB3 ALA 102 -21.027 3.241 -15.713 239 H PHE 103 H PHE 103 -18.899 3.817 -12.228 240 HA PHE 103 HA PHE 103 -18.788 1.359 -10.530 241 HB2 PHE 103 HB2 PHE 103 -16.268 1.471 -11.070 242 HB3 PHE 103 HB3 PHE 103 -17.373 0.862 -12.280 243 HD1 PHE 103 HD1 PHE 103 -15.998 4.193 -11.225 244 HD2 PHE 103 HD2 PHE 103 -16.991 1.557 -14.481 245 HE1 PHE 103 HE1 PHE 103 -15.337 5.935 -12.819 246 HE2 PHE 103 HE2 PHE 103 -16.277 3.294 -16.100 247 HZ PHE 103 HZ PHE 103 -15.485 5.505 -15.282 248 H LEU 104 H LEU 104 -19.522 4.307 -9.938 249 HA LEU 104 HA LEU 104 -17.619 5.232 -7.944 250 HB2 LEU 104 HB2 LEU 104 -20.464 5.815 -8.676 251 HB3 LEU 104 HB3 LEU 104 -19.957 6.202 -7.041 252 HG LEU 104 HG LEU 104 -18.477 7.212 -9.476 253 HD11 LEU 104 HD11 LEU 104 -20.569 8.637 -7.775 254 HD12 LEU 104 HD12 LEU 104 -19.647 9.345 -9.122 255 HD13 LEU 104 HD13 LEU 104 -20.820 8.058 -9.432 256 HD21 LEU 104 HD21 LEU 104 -18.422 8.011 -6.525 257 HD22 LEU 104 HD22 LEU 104 -17.087 7.335 -7.487 258 HD23 LEU 104 HD23 LEU 104 -17.667 8.953 -7.833 259 H ILE 105 H ILE 105 -17.463 4.841 -5.825 260 HA ILE 105 HA ILE 105 -18.793 2.465 -4.652 261 HB ILE 105 HB ILE 105 -16.695 4.394 -3.562 262 HG12 ILE 105 HG12 ILE 105 -16.436 1.447 -4.323 263 HG13 ILE 105 HG13 ILE 105 -16.002 2.776 -5.391 264 HG21 ILE 105 HG21 ILE 105 -17.867 1.878 -2.274 265 HG22 ILE 105 HG22 ILE 105 -16.502 2.827 -1.645 266 HG23 ILE 105 HG23 ILE 105 -18.093 3.548 -1.696 267 HD11 ILE 105 HD11 ILE 105 -13.966 2.124 -4.365 268 HD12 ILE 105 HD12 ILE 105 -14.466 3.639 -3.580 269 HD13 ILE 105 HD13 ILE 105 -14.687 2.081 -2.750 270 H GLN 106 H GLN 106 -20.448 2.571 -3.260 271 HA GLN 106 HA GLN 106 -21.559 5.215 -2.405 272 HB2 GLN 106 HB2 GLN 106 -23.009 2.871 -3.704 273 HB3 GLN 106 HB3 GLN 106 -23.830 4.227 -2.943 274 HG2 GLN 106 HG2 GLN 106 -22.691 5.798 -4.524 275 HG3 GLN 106 HG3 GLN 106 -21.981 4.418 -5.365 276 HE21 GLN 106 HE22 GLN 106 -24.317 6.604 -5.882 277 HE22 GLN 106 HE21 GLN 106 -25.514 5.585 -6.661 278 HA PRO 107 HA PRO 107 -22.148 3.213 1.534 279 HB2 PRO 107 HB2 PRO 107 -23.967 4.805 2.764 280 HB3 PRO 107 HB3 PRO 107 -22.350 5.393 2.279 281 HG2 PRO 107 HG2 PRO 107 -24.950 5.690 0.735 282 HG3 PRO 107 HG3 PRO 107 -23.777 6.971 1.184 283 HD2 PRO 107 HD2 PRO 107 -23.726 5.753 -1.255 284 HD3 PRO 107 HD3 PRO 107 -22.221 6.248 -0.422 285 H ASP 108 H ASP 108 -23.095 1.451 -0.066 286 HA ASP 108 HA ASP 108 -25.760 0.783 -0.191 287 HB2 ASP 108 HB2 ASP 108 -23.891 -0.297 -1.399 288 HB3 ASP 108 HB3 ASP 108 -23.393 -1.085 0.096 289 H LEU 109 H LEU 109 -23.731 0.602 2.592 290 HA LEU 109 HA LEU 109 -25.968 -0.178 4.285 291 HB2 LEU 109 HB2 LEU 109 -23.136 -1.285 4.410 292 HB3 LEU 109 HB3 LEU 109 -24.241 -1.401 5.774 293 HG LEU 109 HG LEU 109 -24.755 -2.650 3.033 294 HD11 LEU 109 HD11 LEU 109 -22.852 -3.692 4.223 295 HD12 LEU 109 HD12 LEU 109 -23.878 -3.936 5.651 296 HD13 LEU 109 HD13 LEU 109 -24.245 -4.780 4.131 297 HD21 LEU 109 HD21 LEU 109 -26.205 -2.957 5.707 298 HD22 LEU 109 HD22 LEU 109 -26.857 -2.197 4.239 299 HD23 LEU 109 HD23 LEU 109 -26.512 -3.924 4.248 300 HA PRO 110 HA PRO 110 -25.018 3.454 6.604 301 HB2 PRO 110 HB2 PRO 110 -24.953 1.783 9.096 302 HB3 PRO 110 HB3 PRO 110 -25.823 3.318 8.747 303 HG2 PRO 110 HG2 PRO 110 -27.150 0.943 8.713 304 HG3 PRO 110 HG3 PRO 110 -27.480 2.189 7.471 305 HD2 PRO 110 HD2 PRO 110 -25.752 -0.279 7.244 306 HD3 PRO 110 HD3 PRO 110 -26.916 0.402 6.070 307 H ALA 111 H ALA 111 -23.291 4.639 7.343 308 HA ALA 111 HA ALA 111 -20.670 3.390 7.514 309 HB1 ALA 111 HB1 ALA 111 -19.870 5.719 7.567 310 HB2 ALA 111 HB2 ALA 111 -21.096 5.530 6.303 311 HB3 ALA 111 HB3 ALA 111 -21.528 6.304 7.846 312 H ILE 112 H ILE 112 -22.340 2.526 9.515 313 HA ILE 112 HA ILE 112 -20.836 3.076 11.973 314 HB ILE 112 HB ILE 112 -22.994 3.299 13.327 315 HG12 ILE 112 HG12 ILE 112 -24.252 4.185 10.695 316 HG13 ILE 112 HG13 ILE 112 -24.520 2.578 11.392 317 HG21 ILE 112 HG21 ILE 112 -21.430 5.196 12.803 318 HG22 ILE 112 HG22 ILE 112 -22.498 5.628 11.444 319 HG23 ILE 112 HG23 ILE 112 -23.099 5.687 13.113 320 HD11 ILE 112 HD11 ILE 112 -26.376 4.001 11.978 321 HD12 ILE 112 HD12 ILE 112 -25.448 3.650 13.449 322 HD13 ILE 112 HD13 ILE 112 -25.300 5.236 12.653 323 H LEU 113 H LEU 113 -20.286 1.138 10.760 324 HA LEU 113 HA LEU 113 -21.504 -1.295 11.939 325 HB2 LEU 113 HB2 LEU 113 -22.749 -0.775 9.836 326 HB3 LEU 113 HB3 LEU 113 -21.227 -0.748 8.951 327 HG LEU 113 HG LEU 113 -20.916 -3.178 9.412 328 HD11 LEU 113 HD11 LEU 113 -23.704 -2.981 10.658 329 HD12 LEU 113 HD12 LEU 113 -22.854 -4.490 10.262 330 HD13 LEU 113 HD13 LEU 113 -22.206 -3.421 11.508 331 HD21 LEU 113 HD21 LEU 113 -23.612 -2.462 8.185 332 HD22 LEU 113 HD22 LEU 113 -22.038 -2.407 7.357 333 HD23 LEU 113 HD23 LEU 113 -22.693 -3.958 7.907 334 H GLU 114 H GLU 114 -20.088 -3.020 12.095 335 HA GLU 114 HA GLU 114 -17.397 -2.973 10.883 336 HB2 GLU 114 HB2 GLU 114 -17.122 -1.676 12.868 337 HB3 GLU 114 HB3 GLU 114 -17.833 -2.952 13.876 338 HG2 GLU 114 HG2 GLU 114 -15.946 -4.455 13.267 339 HG3 GLU 114 HG3 GLU 114 -15.291 -3.210 12.199 Start of MODEL 2 1 H1 MET 71 H1 MET 71 -7.305 7.596 13.625 2 H2 MET 71 H2 MET 71 -8.083 6.302 13.000 3 H3 MET 71 H3 MET 71 -6.452 6.354 12.981 4 HA MET 71 HA MET 71 -8.238 8.159 11.475 5 HB2 MET 71 HB2 MET 71 -6.117 9.244 12.228 6 HB3 MET 71 HB3 MET 71 -5.187 8.001 11.385 7 HG2 MET 71 HG2 MET 71 -6.132 8.747 9.224 8 HG3 MET 71 HG3 MET 71 -7.170 9.896 10.064 9 HE1 MET 71 HE1 MET 71 -3.587 9.048 8.780 10 HE2 MET 71 HE2 MET 71 -2.591 10.340 9.482 11 HE3 MET 71 HE3 MET 71 -3.245 9.065 10.528 12 H SER 72 H SER 72 -8.850 7.493 9.461 13 HA SER 72 HA SER 72 -7.414 5.370 8.008 14 HB2 SER 72 HB2 SER 72 -9.434 3.965 7.789 15 HB3 SER 72 HB3 SER 72 -8.896 4.073 9.470 16 HG SER 72 HG SER 72 -11.174 4.357 9.274 17 H THR 73 H THR 73 -8.489 4.932 5.858 18 HA THR 73 HA THR 73 -10.147 7.121 4.779 19 HB THR 73 HB THR 73 -8.013 7.968 4.523 20 HG1 THR 73 HG1 THR 73 -8.188 8.446 2.348 21 HG21 THR 73 HG21 THR 73 -6.349 7.025 2.944 22 HG22 THR 73 HG22 THR 73 -6.610 5.919 4.297 23 HG23 THR 73 HG23 THR 73 -7.357 5.583 2.718 24 H VAL 74 H VAL 74 -10.780 6.612 2.449 25 HA VAL 74 HA VAL 74 -11.052 3.729 1.841 26 HB VAL 74 HB VAL 74 -13.516 4.004 1.461 27 HG11 VAL 74 HG11 VAL 74 -12.678 4.380 4.358 28 HG12 VAL 74 HG12 VAL 74 -14.177 3.641 3.758 29 HG13 VAL 74 HG13 VAL 74 -12.622 2.851 3.456 30 HG21 VAL 74 HG21 VAL 74 -13.685 6.472 1.420 31 HG22 VAL 74 HG22 VAL 74 -14.769 5.742 2.604 32 HG23 VAL 74 HG23 VAL 74 -13.272 6.530 3.147 33 HA PRO 75 HA PRO 75 -10.847 5.231 -2.369 34 HB2 PRO 75 HB2 PRO 75 -12.138 3.270 -3.781 35 HB3 PRO 75 HB3 PRO 75 -10.512 3.082 -3.065 36 HG2 PRO 75 HG2 PRO 75 -13.172 2.215 -1.898 37 HG3 PRO 75 HG3 PRO 75 -11.666 1.256 -2.051 38 HD2 PRO 75 HD2 PRO 75 -12.349 2.499 0.263 39 HD3 PRO 75 HD3 PRO 75 -10.643 2.430 -0.269 40 H LYS 76 H LYS 76 -12.085 5.872 -4.159 41 HA LYS 76 HA LYS 76 -14.865 6.819 -3.520 42 HB2 LYS 76 HB2 LYS 76 -13.199 8.563 -3.588 43 HB3 LYS 76 HB3 LYS 76 -12.806 8.206 -5.276 44 HG2 LYS 76 HG2 LYS 76 -15.083 8.805 -5.964 45 HG3 LYS 76 HG3 LYS 76 -15.576 9.008 -4.272 46 HD2 LYS 76 HD2 LYS 76 -13.988 10.895 -4.016 47 HD3 LYS 76 HD3 LYS 76 -13.407 10.644 -5.660 48 HE2 LYS 76 HE2 LYS 76 -14.882 12.476 -5.797 49 HE3 LYS 76 HE3 LYS 76 -15.730 11.113 -6.524 50 HZ1 LYS 76 HZ1 LYS 76 -16.996 10.883 -4.422 51 HZ2 LYS 76 HZ2 LYS 76 -16.166 12.127 -3.746 52 HZ3 LYS 76 HZ3 LYS 76 -17.158 12.396 -5.007 53 H TYR 77 H TYR 77 -12.898 5.083 -5.839 54 HA TYR 77 HA TYR 77 -15.311 4.465 -7.492 55 HB2 TYR 77 HB2 TYR 77 -12.541 5.033 -8.603 56 HB3 TYR 77 HB3 TYR 77 -14.018 4.772 -9.511 57 HD1 TYR 77 HD2 TYR 77 -12.147 7.129 -7.347 58 HD2 TYR 77 HD1 TYR 77 -15.478 6.627 -10.029 59 HE1 TYR 77 HE2 TYR 77 -12.392 9.602 -7.508 60 HE2 TYR 77 HE1 TYR 77 -15.696 9.105 -10.211 61 HH TYR 77 HH TYR 77 -14.883 11.161 -9.549 62 H ARG 78 H ARG 78 -15.349 2.370 -8.339 63 HA ARG 78 HA ARG 78 -12.941 0.697 -8.208 64 HB2 ARG 78 HB2 ARG 78 -14.166 0.340 -6.040 65 HB3 ARG 78 HB3 ARG 78 -15.547 -0.280 -6.952 66 HG2 ARG 78 HG2 ARG 78 -14.157 -2.108 -7.874 67 HG3 ARG 78 HG3 ARG 78 -12.718 -1.393 -7.146 68 HD2 ARG 78 HD2 ARG 78 -13.891 -1.717 -4.871 69 HD3 ARG 78 HD3 ARG 78 -15.024 -2.767 -5.755 70 HE ARG 78 HE ARG 78 -12.210 -3.385 -6.274 71 HH11 ARG 78 HH11 ARG 78 -14.719 -4.023 -3.897 72 HH12 ARG 78 HH12 ARG 78 -13.927 -5.467 -3.328 73 HH21 ARG 78 HH21 ARG 78 -11.253 -5.189 -5.488 74 HH22 ARG 78 HH22 ARG 78 -12.006 -6.117 -4.224 75 H ASP 79 H ASP 79 -12.679 -0.262 -10.051 76 HA ASP 79 HA ASP 79 -14.531 -0.306 -12.239 77 HB2 ASP 79 HB2 ASP 79 -12.190 -0.273 -12.659 78 HB3 ASP 79 HB3 ASP 79 -11.902 -1.682 -11.643 79 HA PRO 80 HA PRO 80 -16.583 -4.065 -10.619 80 HB2 PRO 80 HB2 PRO 80 -18.623 -4.317 -12.417 81 HB3 PRO 80 HB3 PRO 80 -18.595 -3.055 -11.146 82 HG2 PRO 80 HG2 PRO 80 -17.746 -2.787 -14.044 83 HG3 PRO 80 HG3 PRO 80 -18.847 -1.720 -13.108 84 HD2 PRO 80 HD2 PRO 80 -16.204 -1.142 -13.438 85 HD3 PRO 80 HD3 PRO 80 -17.056 -0.780 -11.903 86 H ALA 81 H ALA 81 -15.157 -3.715 -13.826 87 HA ALA 81 HA ALA 81 -15.668 -6.406 -14.735 88 HB1 ALA 81 HB1 ALA 81 -14.140 -5.774 -16.555 89 HB2 ALA 81 HB2 ALA 81 -15.310 -4.478 -16.236 90 HB3 ALA 81 HB3 ALA 81 -13.639 -4.326 -15.658 91 H THR 82 H THR 82 -12.836 -4.872 -13.181 92 HA THR 82 HA THR 82 -11.573 -7.574 -12.770 93 HB THR 82 HB THR 82 -9.462 -6.682 -13.128 94 HG1 THR 82 HG1 THR 82 -10.827 -4.231 -13.633 95 HG21 THR 82 HG21 THR 82 -9.536 -6.497 -15.506 96 HG22 THR 82 HG22 THR 82 -10.839 -7.589 -14.984 97 HG23 THR 82 HG23 THR 82 -11.221 -5.923 -15.478 98 H GLY 83 H GLY 83 -12.669 -4.764 -11.098 99 HA2 GLY 83 HA2 GLY 83 -12.874 -4.690 -8.790 100 HA3 GLY 83 HA3 GLY 83 -11.569 -5.852 -8.596 101 H LYS 84 H LYS 84 -10.420 -3.454 -10.647 102 HA LYS 84 HA LYS 84 -8.488 -2.368 -8.846 103 HB2 LYS 84 HB2 LYS 84 -9.540 -1.269 -11.489 104 HB3 LYS 84 HB3 LYS 84 -8.106 -0.682 -10.625 105 HG2 LYS 84 HG2 LYS 84 -7.162 -3.005 -10.702 106 HG3 LYS 84 HG3 LYS 84 -8.511 -3.484 -11.743 107 HD2 LYS 84 HD2 LYS 84 -7.810 -1.573 -13.333 108 HD3 LYS 84 HD3 LYS 84 -6.363 -1.400 -12.335 109 HE2 LYS 84 HE2 LYS 84 -5.607 -2.789 -14.046 110 HE3 LYS 84 HE3 LYS 84 -5.977 -3.934 -12.758 111 HZ1 LYS 84 HZ1 LYS 84 -7.691 -3.313 -15.123 112 HZ2 LYS 84 HZ2 LYS 84 -6.909 -4.716 -14.845 113 HZ3 LYS 84 HZ3 LYS 84 -8.190 -4.291 -13.907 114 H THR 85 H THR 85 -8.303 -0.392 -7.787 115 HA THR 85 HA THR 85 -10.820 1.194 -7.378 116 HB THR 85 HB THR 85 -9.956 1.544 -5.023 117 HG1 THR 85 HG1 THR 85 -8.477 -0.014 -4.266 118 HG21 THR 85 HG21 THR 85 -10.755 -0.620 -4.157 119 HG22 THR 85 HG22 THR 85 -11.807 0.018 -5.432 120 HG23 THR 85 HG23 THR 85 -10.673 -1.313 -5.791 121 H TRP 86 H TRP 86 -10.654 3.358 -6.719 122 HA TRP 86 HA TRP 86 -8.061 4.683 -6.551 123 HB2 TRP 86 HB2 TRP 86 -8.451 4.636 -8.985 124 HB3 TRP 86 HB3 TRP 86 -10.004 5.424 -8.771 125 HD1 TRP 86 HD1 TRP 86 -6.317 6.226 -7.766 126 HE1 TRP 86 HE1 TRP 86 -5.902 8.741 -8.100 127 HE3 TRP 86 HE3 TRP 86 -10.901 7.569 -9.558 128 HZ2 TRP 86 HZ2 TRP 86 -7.377 11.039 -9.042 129 HZ3 TRP 86 HZ3 TRP 86 -11.410 9.946 -10.080 130 HH2 TRP 86 HH2 TRP 86 -9.699 11.681 -9.744 131 H SER 87 H SER 87 -8.334 7.024 -5.905 132 HA SER 87 HA SER 87 -10.790 7.343 -4.200 133 HB2 SER 87 HB2 SER 87 -7.979 7.956 -3.297 134 HB3 SER 87 HB3 SER 87 -9.454 7.784 -2.327 135 HG SER 87 HG SER 87 -7.992 5.934 -2.278 136 H GLY 88 H GLY 88 -9.685 8.985 -6.709 137 HA2 GLY 88 HA2 GLY 88 -10.383 11.151 -7.283 138 HA3 GLY 88 HA3 GLY 88 -10.759 11.488 -5.611 139 H ARG 89 H ARG 89 -7.534 10.344 -6.096 140 HA ARG 89 HA ARG 89 -6.368 13.094 -6.169 141 HB2 ARG 89 HB2 ARG 89 -6.701 12.332 -3.809 142 HB3 ARG 89 HB3 ARG 89 -5.667 10.934 -4.122 143 HG2 ARG 89 HG2 ARG 89 -3.753 12.427 -4.574 144 HG3 ARG 89 HG3 ARG 89 -4.787 13.851 -4.365 145 HD2 ARG 89 HD2 ARG 89 -4.201 11.769 -2.217 146 HD3 ARG 89 HD3 ARG 89 -3.353 13.300 -2.373 147 HE ARG 89 HE ARG 89 -6.053 12.847 -1.318 148 HH11 ARG 89 HH21 ARG 89 -3.895 15.356 -2.494 149 HH12 ARG 89 HH22 ARG 89 -4.805 16.626 -1.726 150 HH21 ARG 89 HH11 ARG 89 -7.166 14.512 -0.374 151 HH22 ARG 89 HH12 ARG 89 -6.617 16.152 -0.558 152 H GLY 90 H GLY 90 -4.359 13.259 -7.116 153 HA2 GLY 90 HA2 GLY 90 -2.528 12.628 -8.444 154 HA3 GLY 90 HA3 GLY 90 -2.856 10.930 -8.110 155 H ARG 91 H ARG 91 -2.321 10.794 -10.465 156 HA ARG 91 HA ARG 91 -4.059 11.803 -12.549 157 HB2 ARG 91 HB2 ARG 91 -2.259 9.374 -12.597 158 HB3 ARG 91 HB3 ARG 91 -3.055 10.162 -13.968 159 HG2 ARG 91 HG2 ARG 91 -1.781 12.257 -13.523 160 HG3 ARG 91 HG3 ARG 91 -0.968 11.466 -12.168 161 HD2 ARG 91 HD2 ARG 91 0.527 11.399 -14.023 162 HD3 ARG 91 HD3 ARG 91 -0.056 9.751 -13.737 163 HE ARG 91 HE ARG 91 -1.676 11.151 -15.711 164 HH11 ARG 91 HH11 ARG 91 1.405 9.490 -15.450 165 HH12 ARG 91 HH12 ARG 91 1.431 9.086 -17.144 166 HH21 ARG 91 HH21 ARG 91 -1.590 10.584 -17.853 167 HH22 ARG 91 HH22 ARG 91 -0.223 9.704 -18.471 168 H GLN 92 H GLN 92 -5.981 11.163 -13.257 169 HA GLN 92 HA GLN 92 -7.570 9.200 -11.934 170 HB2 GLN 92 HB2 GLN 92 -8.349 11.265 -13.167 171 HB3 GLN 92 HB3 GLN 92 -8.003 10.432 -14.693 172 HG2 GLN 92 HG2 GLN 92 -9.640 8.639 -14.014 173 HG3 GLN 92 HG3 GLN 92 -9.969 9.566 -12.537 174 HE21 GLN 92 HE22 GLN 92 -11.174 11.601 -12.728 175 HE22 GLN 92 HE21 GLN 92 -12.065 11.936 -14.201 176 HA PRO 93 HA PRO 93 -6.104 5.584 -14.212 177 HB2 PRO 93 HB2 PRO 93 -8.006 3.730 -13.557 178 HB3 PRO 93 HB3 PRO 93 -6.791 4.330 -12.387 179 HG2 PRO 93 HG2 PRO 93 -9.642 5.303 -12.765 180 HG3 PRO 93 HG3 PRO 93 -8.838 4.820 -11.240 181 HD2 PRO 93 HD2 PRO 93 -8.987 7.425 -11.973 182 HD3 PRO 93 HD3 PRO 93 -7.493 6.782 -11.230 183 H ALA 94 H ALA 94 -6.576 4.302 -16.067 184 HA ALA 94 HA ALA 94 -7.932 5.693 -18.095 185 HB1 ALA 94 HB1 ALA 94 -7.346 3.747 -19.489 186 HB2 ALA 94 HB2 ALA 94 -5.998 4.210 -18.441 187 HB3 ALA 94 HB3 ALA 94 -6.993 2.791 -18.035 188 H TRP 95 H TRP 95 -9.107 2.816 -16.279 189 HA TRP 95 HA TRP 95 -11.379 2.275 -17.919 190 HB2 TRP 95 HB2 TRP 95 -12.251 1.147 -15.784 191 HB3 TRP 95 HB3 TRP 95 -10.759 0.553 -16.489 192 HD1 TRP 95 HD1 TRP 95 -8.604 0.659 -15.075 193 HE1 TRP 95 HE1 TRP 95 -8.119 1.114 -12.592 194 HE3 TRP 95 HE3 TRP 95 -13.150 2.637 -13.696 195 HZ2 TRP 95 HZ2 TRP 95 -9.520 2.131 -10.307 196 HZ3 TRP 95 HZ3 TRP 95 -13.519 3.342 -11.360 197 HH2 TRP 95 HH2 TRP 95 -11.741 3.069 -9.661 198 H LEU 96 H LEU 96 -10.986 4.610 -15.319 199 HA LEU 96 HA LEU 96 -13.784 5.149 -14.918 200 HB2 LEU 96 HB2 LEU 96 -12.055 5.408 -13.224 201 HB3 LEU 96 HB3 LEU 96 -11.239 6.643 -14.183 202 HG LEU 96 HG LEU 96 -13.029 8.226 -13.811 203 HD11 LEU 96 HD11 LEU 96 -14.990 6.759 -13.790 204 HD12 LEU 96 HD12 LEU 96 -14.429 5.981 -12.289 205 HD13 LEU 96 HD13 LEU 96 -14.920 7.693 -12.297 206 HD21 LEU 96 HD21 LEU 96 -12.806 8.484 -11.414 207 HD22 LEU 96 HD22 LEU 96 -12.408 6.765 -11.211 208 HD23 LEU 96 HD23 LEU 96 -11.277 7.842 -12.043 209 H GLY 97 H GLY 97 -11.538 6.256 -17.313 210 HA2 GLY 97 HA2 GLY 97 -12.530 8.918 -17.696 211 HA3 GLY 97 HA3 GLY 97 -11.394 8.050 -18.725 212 H ASN 98 H ASN 98 -14.866 7.423 -17.991 213 HA ASN 98 HA ASN 98 -15.635 8.180 -20.746 214 HB2 ASN 98 HB2 ASN 98 -14.897 5.805 -20.936 215 HB3 ASN 98 HB3 ASN 98 -16.074 5.338 -19.711 216 HD21 ASN 98 HD22 ASN 98 -15.703 6.616 -23.025 217 HD22 ASN 98 HD21 ASN 98 -17.326 6.174 -23.533 218 H ASP 99 H ASP 99 -17.020 6.538 -17.819 219 HA ASP 99 HA ASP 99 -19.130 8.600 -17.629 220 HB2 ASP 99 HB2 ASP 99 -20.023 7.073 -19.315 221 HB3 ASP 99 HB3 ASP 99 -19.759 5.693 -18.244 222 HA PRO 100 HA PRO 100 -17.110 7.217 -13.673 223 HB2 PRO 100 HB2 PRO 100 -18.593 9.696 -12.851 224 HB3 PRO 100 HB3 PRO 100 -17.001 9.058 -12.300 225 HG2 PRO 100 HG2 PRO 100 -17.079 10.982 -14.201 226 HG3 PRO 100 HG3 PRO 100 -15.974 9.581 -14.384 227 HD2 PRO 100 HD2 PRO 100 -18.637 10.061 -15.715 228 HD3 PRO 100 HD3 PRO 100 -17.137 9.360 -16.387 229 H ALA 101 H ALA 101 -20.605 7.981 -13.935 230 HA ALA 101 HA ALA 101 -21.399 6.915 -11.461 231 HB1 ALA 101 HB1 ALA 101 -22.817 8.312 -12.908 232 HB2 ALA 101 HB2 ALA 101 -22.913 6.992 -14.102 233 HB3 ALA 101 HB3 ALA 101 -23.641 6.799 -12.494 234 H ALA 102 H ALA 102 -20.390 5.118 -14.306 235 HA ALA 102 HA ALA 102 -21.673 2.619 -13.675 236 HB1 ALA 102 HB1 ALA 102 -19.193 3.259 -15.327 237 HB2 ALA 102 HB2 ALA 102 -20.103 1.734 -15.367 238 HB3 ALA 102 HB3 ALA 102 -20.867 3.238 -15.924 239 H PHE 103 H PHE 103 -18.815 4.143 -12.365 240 HA PHE 103 HA PHE 103 -18.143 1.692 -10.803 241 HB2 PHE 103 HB2 PHE 103 -15.669 2.885 -11.385 242 HB3 PHE 103 HB3 PHE 103 -16.285 1.353 -11.935 243 HD1 PHE 103 HD1 PHE 103 -16.578 4.987 -12.838 244 HD2 PHE 103 HD2 PHE 103 -16.255 0.931 -14.232 245 HE1 PHE 103 HE1 PHE 103 -16.616 5.783 -15.178 246 HE2 PHE 103 HE2 PHE 103 -16.244 1.732 -16.577 247 HZ PHE 103 HZ PHE 103 -16.428 4.158 -17.063 248 H LEU 104 H LEU 104 -18.769 5.028 -10.598 249 HA LEU 104 HA LEU 104 -17.309 5.778 -8.274 250 HB2 LEU 104 HB2 LEU 104 -19.804 6.575 -9.680 251 HB3 LEU 104 HB3 LEU 104 -19.820 6.910 -7.952 252 HG LEU 104 HG LEU 104 -17.600 7.806 -9.799 253 HD11 LEU 104 HD11 LEU 104 -19.989 9.384 -8.765 254 HD12 LEU 104 HD12 LEU 104 -18.633 10.036 -9.715 255 HD13 LEU 104 HD13 LEU 104 -19.738 8.859 -10.442 256 HD21 LEU 104 HD21 LEU 104 -17.149 9.439 -7.925 257 HD22 LEU 104 HD22 LEU 104 -18.361 8.599 -6.939 258 HD23 LEU 104 HD23 LEU 104 -16.874 7.769 -7.450 259 H ILE 105 H ILE 105 -17.402 5.134 -6.171 260 HA ILE 105 HA ILE 105 -19.136 2.906 -5.395 261 HB ILE 105 HB ILE 105 -17.157 4.586 -3.801 262 HG12 ILE 105 HG12 ILE 105 -16.956 1.691 -4.763 263 HG13 ILE 105 HG13 ILE 105 -16.286 3.054 -5.652 264 HG21 ILE 105 HG21 ILE 105 -17.417 2.844 -2.034 265 HG22 ILE 105 HG22 ILE 105 -18.921 3.708 -2.290 266 HG23 ILE 105 HG23 ILE 105 -18.715 2.080 -2.976 267 HD11 ILE 105 HD11 ILE 105 -14.494 2.170 -4.386 268 HD12 ILE 105 HD12 ILE 105 -14.985 3.691 -3.597 269 HD13 ILE 105 HD13 ILE 105 -15.450 2.124 -2.894 270 H GLN 106 H GLN 106 -21.056 3.009 -4.472 271 HA GLN 106 HA GLN 106 -22.215 5.606 -3.563 272 HB2 GLN 106 HB2 GLN 106 -23.231 3.668 -5.685 273 HB3 GLN 106 HB3 GLN 106 -24.273 4.878 -4.936 274 HG2 GLN 106 HG2 GLN 106 -23.072 6.696 -5.885 275 HG3 GLN 106 HG3 GLN 106 -21.689 5.706 -6.309 276 HE21 GLN 106 HE22 GLN 106 -21.699 4.446 -8.222 277 HE22 GLN 106 HE21 GLN 106 -22.971 4.634 -9.427 278 HA PRO 107 HA PRO 107 -23.770 3.058 -0.328 279 HB2 PRO 107 HB2 PRO 107 -25.806 4.540 0.735 280 HB3 PRO 107 HB3 PRO 107 -24.104 5.087 0.760 281 HG2 PRO 107 HG2 PRO 107 -26.254 5.830 -1.252 282 HG3 PRO 107 HG3 PRO 107 -25.181 6.927 -0.331 283 HD2 PRO 107 HD2 PRO 107 -24.598 6.153 -2.874 284 HD3 PRO 107 HD3 PRO 107 -23.311 6.351 -1.641 285 H ASP 108 H ASP 108 -25.693 3.441 -3.065 286 HA ASP 108 HA ASP 108 -27.697 2.722 -3.848 287 HB2 ASP 108 HB2 ASP 108 -26.186 0.722 -3.865 288 HB3 ASP 108 HB3 ASP 108 -26.970 0.165 -2.387 289 H LEU 109 H LEU 109 -27.975 4.136 -1.363 290 HA LEU 109 HA LEU 109 -30.664 3.270 -0.477 291 HB2 LEU 109 HB2 LEU 109 -28.222 3.820 1.262 292 HB3 LEU 109 HB3 LEU 109 -29.855 3.914 1.908 293 HG LEU 109 HG LEU 109 -28.644 1.385 0.699 294 HD11 LEU 109 HD11 LEU 109 -27.529 2.090 2.792 295 HD12 LEU 109 HD12 LEU 109 -29.113 2.164 3.604 296 HD13 LEU 109 HD13 LEU 109 -28.477 0.615 3.011 297 HD21 LEU 109 HD21 LEU 109 -31.225 1.863 2.261 298 HD22 LEU 109 HD22 LEU 109 -31.100 1.370 0.555 299 HD23 LEU 109 HD23 LEU 109 -30.560 0.269 1.828 300 HA PRO 110 HA PRO 110 -31.734 7.659 -0.478 301 HB2 PRO 110 HB2 PRO 110 -32.710 7.208 2.319 302 HB3 PRO 110 HB3 PRO 110 -33.501 8.032 0.931 303 HG2 PRO 110 HG2 PRO 110 -34.234 5.510 1.630 304 HG3 PRO 110 HG3 PRO 110 -34.037 5.954 -0.100 305 HD2 PRO 110 HD2 PRO 110 -32.089 4.497 1.701 306 HD3 PRO 110 HD3 PRO 110 -32.573 4.134 0.018 307 H ALA 111 H ALA 111 -31.182 9.660 0.426 308 HA ALA 111 HA ALA 111 -28.585 9.808 1.665 309 HB1 ALA 111 HB1 ALA 111 -28.826 12.222 1.228 310 HB2 ALA 111 HB2 ALA 111 -29.364 11.293 -0.178 311 HB3 ALA 111 HB3 ALA 111 -30.564 12.014 0.920 312 H ILE 112 H ILE 112 -30.259 8.593 3.420 313 HA ILE 112 HA ILE 112 -30.179 10.266 5.872 314 HB ILE 112 HB ILE 112 -32.592 8.575 5.084 315 HG12 ILE 112 HG12 ILE 112 -32.647 10.693 3.835 316 HG13 ILE 112 HG13 ILE 112 -33.939 10.533 5.002 317 HG21 ILE 112 HG21 ILE 112 -32.290 8.466 7.486 318 HG22 ILE 112 HG22 ILE 112 -32.027 10.216 7.591 319 HG23 ILE 112 HG23 ILE 112 -33.622 9.569 7.145 320 HD11 ILE 112 HD11 ILE 112 -32.921 12.135 6.508 321 HD12 ILE 112 HD12 ILE 112 -31.451 12.213 5.524 322 HD13 ILE 112 HD13 ILE 112 -32.982 12.831 4.885 323 H LEU 113 H LEU 113 -28.221 9.123 5.961 324 HA LEU 113 HA LEU 113 -28.417 6.295 6.898 325 HB2 LEU 113 HB2 LEU 113 -27.915 6.626 4.413 326 HB3 LEU 113 HB3 LEU 113 -26.390 7.355 4.888 327 HG LEU 113 HG LEU 113 -25.637 5.195 5.842 328 HD11 LEU 113 HD11 LEU 113 -27.012 3.139 5.441 329 HD12 LEU 113 HD12 LEU 113 -27.745 4.217 6.630 330 HD13 LEU 113 HD13 LEU 113 -28.380 4.176 4.974 331 HD21 LEU 113 HD21 LEU 113 -25.506 3.933 3.755 332 HD22 LEU 113 HD22 LEU 113 -26.832 4.894 3.065 333 HD23 LEU 113 HD23 LEU 113 -25.279 5.665 3.453 334 H GLU 114 H GLU 114 -27.559 9.219 7.946 335 HA GLU 114 HA GLU 114 -25.397 8.292 9.764 336 HB2 GLU 114 HB2 GLU 114 -25.203 10.836 8.147 337 HB3 GLU 114 HB3 GLU 114 -24.161 10.316 9.478 338 HG2 GLU 114 HG2 GLU 114 -23.472 8.318 8.154 339 HG3 GLU 114 HG3 GLU 114 -24.421 8.914 6.786 Start of MODEL 3 1 H1 MET 71 H1 MET 71 -6.693 5.568 9.523 2 H2 MET 71 H2 MET 71 -7.963 5.018 8.655 3 H3 MET 71 H3 MET 71 -6.678 4.041 8.947 4 HA MET 71 HA MET 71 -5.222 5.430 7.610 5 HB2 MET 71 HB2 MET 71 -7.775 4.578 6.149 6 HB3 MET 71 HB3 MET 71 -6.308 5.123 5.342 7 HG2 MET 71 HG2 MET 71 -6.564 2.655 7.094 8 HG3 MET 71 HG3 MET 71 -6.463 2.694 5.345 9 HE1 MET 71 HE1 MET 71 -2.751 3.500 4.579 10 HE2 MET 71 HE2 MET 71 -4.316 2.961 3.935 11 HE3 MET 71 HE3 MET 71 -4.124 4.626 4.533 12 H SER 72 H SER 72 -4.777 7.367 6.545 13 HA SER 72 HA SER 72 -6.374 9.666 7.277 14 HB2 SER 72 HB2 SER 72 -4.630 10.897 6.010 15 HB3 SER 72 HB3 SER 72 -3.980 9.804 7.246 16 HG SER 72 HG SER 72 -2.838 9.616 5.244 17 H THR 73 H THR 73 -6.381 7.632 4.442 18 HA THR 73 HA THR 73 -8.327 9.435 3.046 19 HB THR 73 HB THR 73 -7.422 8.991 0.972 20 HG1 THR 73 HG1 THR 73 -6.326 7.080 1.062 21 HG21 THR 73 HG21 THR 73 -6.550 10.965 2.174 22 HG22 THR 73 HG22 THR 73 -5.159 10.004 2.726 23 HG23 THR 73 HG23 THR 73 -5.396 10.315 0.994 24 H VAL 74 H VAL 74 -9.597 8.310 1.382 25 HA VAL 74 HA VAL 74 -10.027 5.396 1.797 26 HB VAL 74 HB VAL 74 -12.502 5.804 1.890 27 HG11 VAL 74 HG11 VAL 74 -12.611 6.262 4.263 28 HG12 VAL 74 HG12 VAL 74 -11.198 5.256 3.920 29 HG13 VAL 74 HG13 VAL 74 -10.995 6.990 4.247 30 HG21 VAL 74 HG21 VAL 74 -13.393 7.941 2.630 31 HG22 VAL 74 HG22 VAL 74 -11.790 8.692 2.548 32 HG23 VAL 74 HG23 VAL 74 -12.598 8.137 1.064 33 HA PRO 75 HA PRO 75 -10.651 5.515 -2.616 34 HB2 PRO 75 HB2 PRO 75 -12.230 3.361 -3.110 35 HB3 PRO 75 HB3 PRO 75 -10.531 3.221 -2.577 36 HG2 PRO 75 HG2 PRO 75 -13.025 3.091 -0.852 37 HG3 PRO 75 HG3 PRO 75 -11.647 1.942 -0.890 38 HD2 PRO 75 HD2 PRO 75 -11.796 3.910 0.969 39 HD3 PRO 75 HD3 PRO 75 -10.229 3.471 0.229 40 H LYS 76 H LYS 76 -12.175 5.762 -4.265 41 HA LYS 76 HA LYS 76 -14.845 6.924 -3.543 42 HB2 LYS 76 HB2 LYS 76 -13.204 8.667 -3.755 43 HB3 LYS 76 HB3 LYS 76 -12.790 8.174 -5.408 44 HG2 LYS 76 HG2 LYS 76 -15.033 8.758 -6.173 45 HG3 LYS 76 HG3 LYS 76 -15.573 9.073 -4.515 46 HD2 LYS 76 HD2 LYS 76 -14.087 10.979 -4.311 47 HD3 LYS 76 HD3 LYS 76 -13.300 10.609 -5.858 48 HE2 LYS 76 HE2 LYS 76 -15.398 11.033 -7.074 49 HE3 LYS 76 HE3 LYS 76 -16.255 11.309 -5.547 50 HZ1 LYS 76 HZ1 LYS 76 -14.811 13.259 -5.175 51 HZ2 LYS 76 HZ2 LYS 76 -14.033 13.004 -6.594 52 HZ3 LYS 76 HZ3 LYS 76 -15.611 13.410 -6.589 53 H TYR 77 H TYR 77 -12.947 5.062 -5.837 54 HA TYR 77 HA TYR 77 -15.421 4.346 -7.353 55 HB2 TYR 77 HB2 TYR 77 -12.714 4.888 -8.608 56 HB3 TYR 77 HB3 TYR 77 -14.227 4.563 -9.437 57 HD1 TYR 77 HD2 TYR 77 -12.294 7.055 -7.483 58 HD2 TYR 77 HD1 TYR 77 -15.702 6.394 -10.038 59 HE1 TYR 77 HE2 TYR 77 -12.528 9.507 -7.817 60 HE2 TYR 77 HE1 TYR 77 -15.882 8.840 -10.427 61 HH TYR 77 HH TYR 77 -15.031 10.933 -9.948 62 H ARG 78 H ARG 78 -15.403 2.260 -8.262 63 HA ARG 78 HA ARG 78 -12.991 0.571 -8.043 64 HB2 ARG 78 HB2 ARG 78 -14.359 0.128 -5.966 65 HB3 ARG 78 HB3 ARG 78 -15.695 -0.387 -7.003 66 HG2 ARG 78 HG2 ARG 78 -14.180 -2.141 -8.012 67 HG3 ARG 78 HG3 ARG 78 -12.911 -1.634 -6.899 68 HD2 ARG 78 HD2 ARG 78 -15.622 -2.764 -6.103 69 HD3 ARG 78 HD3 ARG 78 -14.147 -3.704 -6.204 70 HE ARG 78 HE ARG 78 -14.927 -1.811 -4.104 71 HH11 ARG 78 HH11 ARG 78 -12.085 -3.496 -5.384 72 HH12 ARG 78 HH12 ARG 78 -11.412 -3.681 -3.793 73 HH21 ARG 78 HH21 ARG 78 -13.891 -1.977 -2.153 74 HH22 ARG 78 HH22 ARG 78 -12.352 -2.770 -2.045 75 H ASP 79 H ASP 79 -12.625 -0.275 -9.944 76 HA ASP 79 HA ASP 79 -14.397 -0.266 -12.205 77 HB2 ASP 79 HB2 ASP 79 -12.036 -0.172 -12.531 78 HB3 ASP 79 HB3 ASP 79 -11.765 -1.621 -11.571 79 HA PRO 80 HA PRO 80 -16.458 -4.076 -10.767 80 HB2 PRO 80 HB2 PRO 80 -18.341 -4.385 -12.741 81 HB3 PRO 80 HB3 PRO 80 -18.458 -3.164 -11.441 82 HG2 PRO 80 HG2 PRO 80 -17.398 -2.780 -14.257 83 HG3 PRO 80 HG3 PRO 80 -18.602 -1.777 -13.382 84 HD2 PRO 80 HD2 PRO 80 -15.993 -1.063 -13.480 85 HD3 PRO 80 HD3 PRO 80 -16.946 -0.856 -11.976 86 H ALA 81 H ALA 81 -14.822 -3.731 -13.878 87 HA ALA 81 HA ALA 81 -15.159 -6.475 -14.730 88 HB1 ALA 81 HB1 ALA 81 -13.581 -5.829 -16.492 89 HB2 ALA 81 HB2 ALA 81 -14.826 -4.581 -16.279 90 HB3 ALA 81 HB3 ALA 81 -13.194 -4.328 -15.630 91 H THR 82 H THR 82 -12.637 -4.798 -12.861 92 HA THR 82 HA THR 82 -11.146 -7.393 -12.505 93 HB THR 82 HB THR 82 -9.155 -6.204 -12.355 94 HG1 THR 82 HG1 THR 82 -10.682 -3.894 -13.024 95 HG21 THR 82 HG21 THR 82 -10.049 -6.992 -14.520 96 HG22 THR 82 HG22 THR 82 -10.599 -5.338 -14.879 97 HG23 THR 82 HG23 THR 82 -8.861 -5.671 -14.662 98 H GLY 83 H GLY 83 -12.685 -4.787 -10.750 99 HA2 GLY 83 HA2 GLY 83 -13.115 -4.716 -8.474 100 HA3 GLY 83 HA3 GLY 83 -11.876 -5.936 -8.161 101 H LYS 84 H LYS 84 -10.355 -3.726 -10.096 102 HA LYS 84 HA LYS 84 -8.668 -2.572 -8.082 103 HB2 LYS 84 HB2 LYS 84 -9.158 -1.917 -11.017 104 HB3 LYS 84 HB3 LYS 84 -7.926 -1.111 -10.031 105 HG2 LYS 84 HG2 LYS 84 -6.877 -3.266 -9.503 106 HG3 LYS 84 HG3 LYS 84 -8.075 -4.125 -10.478 107 HD2 LYS 84 HD2 LYS 84 -7.363 -2.828 -12.491 108 HD3 LYS 84 HD3 LYS 84 -6.085 -2.062 -11.539 109 HE2 LYS 84 HE2 LYS 84 -6.374 -5.069 -12.017 110 HE3 LYS 84 HE3 LYS 84 -5.362 -3.997 -12.983 111 HZ1 LYS 84 HZ1 LYS 84 -4.977 -4.524 -10.073 112 HZ2 LYS 84 HZ2 LYS 84 -4.041 -5.087 -11.283 113 HZ3 LYS 84 HZ3 LYS 84 -4.070 -3.491 -10.967 114 H THR 85 H THR 85 -8.448 -0.455 -7.355 115 HA THR 85 HA THR 85 -10.953 1.191 -7.373 116 HB THR 85 HB THR 85 -10.311 1.820 -5.023 117 HG1 THR 85 HG1 THR 85 -8.844 0.420 -3.976 118 HG21 THR 85 HG21 THR 85 -10.835 -1.141 -5.486 119 HG22 THR 85 HG22 THR 85 -11.124 -0.239 -3.978 120 HG23 THR 85 HG23 THR 85 -12.057 0.157 -5.426 121 H TRP 86 H TRP 86 -10.796 3.406 -6.767 122 HA TRP 86 HA TRP 86 -8.184 4.729 -6.787 123 HB2 TRP 86 HB2 TRP 86 -8.776 4.607 -9.194 124 HB3 TRP 86 HB3 TRP 86 -10.283 5.449 -8.868 125 HD1 TRP 86 HD1 TRP 86 -6.538 6.166 -8.057 126 HE1 TRP 86 HE1 TRP 86 -6.078 8.663 -8.421 127 HE3 TRP 86 HE3 TRP 86 -11.133 7.598 -9.798 128 HZ2 TRP 86 HZ2 TRP 86 -7.522 10.992 -9.324 129 HZ3 TRP 86 HZ3 TRP 86 -11.601 9.989 -10.258 130 HH2 TRP 86 HH2 TRP 86 -9.855 11.686 -9.956 131 H SER 87 H SER 87 -8.443 7.100 -6.178 132 HA SER 87 HA SER 87 -10.748 7.409 -4.283 133 HB2 SER 87 HB2 SER 87 -9.046 8.188 -2.659 134 HB3 SER 87 HB3 SER 87 -8.698 6.550 -3.235 135 HG SER 87 HG SER 87 -6.809 7.866 -3.291 136 H GLY 88 H GLY 88 -9.566 9.084 -6.918 137 HA2 GLY 88 HA2 GLY 88 -10.335 11.263 -7.488 138 HA3 GLY 88 HA3 GLY 88 -10.612 11.641 -5.811 139 H ARG 89 H ARG 89 -7.501 10.270 -6.272 140 HA ARG 89 HA ARG 89 -6.145 12.926 -6.488 141 HB2 ARG 89 HB2 ARG 89 -6.522 12.261 -4.109 142 HB3 ARG 89 HB3 ARG 89 -5.604 10.778 -4.388 143 HG2 ARG 89 HG2 ARG 89 -3.570 12.106 -4.857 144 HG3 ARG 89 HG3 ARG 89 -4.503 13.613 -4.700 145 HD2 ARG 89 HD2 ARG 89 -5.013 13.039 -2.346 146 HD3 ARG 89 HD3 ARG 89 -4.071 11.557 -2.480 147 HE ARG 89 HE ARG 89 -3.088 14.337 -2.298 148 HH11 ARG 89 HH11 ARG 89 -2.083 11.029 -2.921 149 HH12 ARG 89 HH12 ARG 89 -0.409 11.392 -2.615 150 HH21 ARG 89 HH21 ARG 89 -0.947 14.719 -1.910 151 HH22 ARG 89 HH22 ARG 89 0.218 13.438 -2.062 152 H GLY 90 H GLY 90 -4.078 12.909 -7.371 153 HA2 GLY 90 HA2 GLY 90 -2.248 12.099 -8.594 154 HA3 GLY 90 HA3 GLY 90 -2.768 10.443 -8.293 155 H ARG 91 H ARG 91 -2.031 10.351 -10.616 156 HA ARG 91 HA ARG 91 -3.478 11.534 -12.797 157 HB2 ARG 91 HB2 ARG 91 -1.949 8.924 -12.747 158 HB3 ARG 91 HB3 ARG 91 -2.518 9.828 -14.168 159 HG2 ARG 91 HG2 ARG 91 -1.096 11.757 -13.539 160 HG3 ARG 91 HG3 ARG 91 -0.473 10.842 -12.150 161 HD2 ARG 91 HD2 ARG 91 0.396 9.101 -13.680 162 HD3 ARG 91 HD3 ARG 91 -0.208 10.032 -15.072 163 HE ARG 91 HE ARG 91 1.443 11.754 -13.537 164 HH11 ARG 91 HH11 ARG 91 1.890 8.905 -15.533 165 HH12 ARG 91 HH12 ARG 91 3.530 9.333 -15.939 166 HH21 ARG 91 HH21 ARG 91 3.537 12.246 -14.102 167 HH22 ARG 91 HH22 ARG 91 4.431 11.187 -15.148 168 H GLN 92 H GLN 92 -5.219 10.955 -13.957 169 HA GLN 92 HA GLN 92 -7.314 9.485 -12.737 170 HB2 GLN 92 HB2 GLN 92 -7.521 11.400 -14.343 171 HB3 GLN 92 HB3 GLN 92 -7.056 10.306 -15.655 172 HG2 GLN 92 HG2 GLN 92 -9.039 8.868 -15.077 173 HG3 GLN 92 HG3 GLN 92 -9.470 10.034 -13.821 174 HE21 GLN 92 HE22 GLN 92 -10.713 11.876 -14.459 175 HE22 GLN 92 HE21 GLN 92 -11.107 12.190 -16.139 176 HA PRO 93 HA PRO 93 -6.224 5.273 -14.154 177 HB2 PRO 93 HB2 PRO 93 -9.121 4.710 -13.660 178 HB3 PRO 93 HB3 PRO 93 -7.667 3.851 -13.070 179 HG2 PRO 93 HG2 PRO 93 -9.150 5.486 -11.458 180 HG3 PRO 93 HG3 PRO 93 -7.365 5.374 -11.312 181 HD2 PRO 93 HD2 PRO 93 -9.013 7.513 -12.641 182 HD3 PRO 93 HD3 PRO 93 -7.531 7.658 -11.650 183 H ALA 94 H ALA 94 -6.464 4.115 -16.104 184 HA ALA 94 HA ALA 94 -7.551 5.415 -18.367 185 HB1 ALA 94 HB1 ALA 94 -7.007 3.311 -19.535 186 HB2 ALA 94 HB2 ALA 94 -5.706 3.784 -18.429 187 HB3 ALA 94 HB3 ALA 94 -6.828 2.476 -17.979 188 H TRP 95 H TRP 95 -9.008 2.839 -16.356 189 HA TRP 95 HA TRP 95 -11.345 2.429 -17.988 190 HB2 TRP 95 HB2 TRP 95 -12.241 1.359 -15.879 191 HB3 TRP 95 HB3 TRP 95 -10.755 0.693 -16.525 192 HD1 TRP 95 HD1 TRP 95 -8.593 0.834 -15.093 193 HE1 TRP 95 HE1 TRP 95 -8.171 1.232 -12.595 194 HE3 TRP 95 HE3 TRP 95 -13.207 2.723 -13.754 195 HZ2 TRP 95 HZ2 TRP 95 -9.615 2.204 -10.325 196 HZ3 TRP 95 HZ3 TRP 95 -13.641 3.290 -11.399 197 HH2 TRP 95 HH2 TRP 95 -11.874 3.047 -9.688 198 H LEU 96 H LEU 96 -10.563 5.041 -15.821 199 HA LEU 96 HA LEU 96 -13.238 5.638 -14.975 200 HB2 LEU 96 HB2 LEU 96 -10.790 6.437 -14.125 201 HB3 LEU 96 HB3 LEU 96 -11.173 7.800 -15.170 202 HG LEU 96 HG LEU 96 -13.506 7.739 -13.850 203 HD11 LEU 96 HD11 LEU 96 -12.949 5.637 -12.617 204 HD12 LEU 96 HD12 LEU 96 -11.563 6.446 -11.875 205 HD13 LEU 96 HD13 LEU 96 -13.205 7.005 -11.516 206 HD21 LEU 96 HD21 LEU 96 -12.640 9.281 -12.192 207 HD22 LEU 96 HD22 LEU 96 -10.974 8.779 -12.557 208 HD23 LEU 96 HD23 LEU 96 -11.963 9.623 -13.783 209 H GLY 97 H GLY 97 -11.590 6.234 -17.958 210 HA2 GLY 97 HA2 GLY 97 -12.829 8.745 -18.673 211 HA3 GLY 97 HA3 GLY 97 -11.771 7.755 -19.670 212 H ASN 98 H ASN 98 -15.050 7.138 -18.280 213 HA ASN 98 HA ASN 98 -16.215 7.159 -21.002 214 HB2 ASN 98 HB2 ASN 98 -15.365 4.839 -20.712 215 HB3 ASN 98 HB3 ASN 98 -16.331 4.655 -19.255 216 HD21 ASN 98 HD22 ASN 98 -16.487 5.085 -22.796 217 HD22 ASN 98 HD21 ASN 98 -18.134 4.488 -22.941 218 H ASP 99 H ASP 99 -17.245 6.065 -17.702 219 HA ASP 99 HA ASP 99 -19.274 8.196 -17.547 220 HB2 ASP 99 HB2 ASP 99 -20.397 6.580 -18.978 221 HB3 ASP 99 HB3 ASP 99 -20.052 5.276 -17.844 222 HA PRO 100 HA PRO 100 -17.191 7.310 -13.525 223 HB2 PRO 100 HB2 PRO 100 -18.865 9.728 -12.943 224 HB3 PRO 100 HB3 PRO 100 -17.236 9.268 -12.326 225 HG2 PRO 100 HG2 PRO 100 -17.447 10.991 -14.403 226 HG3 PRO 100 HG3 PRO 100 -16.221 9.678 -14.440 227 HD2 PRO 100 HD2 PRO 100 -18.883 9.813 -15.846 228 HD3 PRO 100 HD3 PRO 100 -17.324 9.153 -16.423 229 H ALA 101 H ALA 101 -20.721 7.876 -13.833 230 HA ALA 101 HA ALA 101 -21.355 6.881 -11.266 231 HB1 ALA 101 HB1 ALA 101 -23.061 7.011 -13.788 232 HB2 ALA 101 HB2 ALA 101 -23.672 6.845 -12.130 233 HB3 ALA 101 HB3 ALA 101 -22.832 8.330 -12.613 234 H ALA 102 H ALA 102 -20.497 5.051 -14.123 235 HA ALA 102 HA ALA 102 -21.863 2.600 -13.441 236 HB1 ALA 102 HB1 ALA 102 -19.409 3.116 -15.175 237 HB2 ALA 102 HB2 ALA 102 -20.400 1.643 -15.171 238 HB3 ALA 102 HB3 ALA 102 -21.098 3.178 -15.720 239 H PHE 103 H PHE 103 -18.883 4.050 -12.284 240 HA PHE 103 HA PHE 103 -18.295 1.617 -10.648 241 HB2 PHE 103 HB2 PHE 103 -15.818 2.157 -11.187 242 HB3 PHE 103 HB3 PHE 103 -16.808 1.286 -12.338 243 HD1 PHE 103 HD2 PHE 103 -15.645 4.740 -11.526 244 HD2 PHE 103 HD1 PHE 103 -16.999 2.008 -14.570 245 HE1 PHE 103 HE2 PHE 103 -15.268 6.470 -13.247 246 HE2 PHE 103 HE1 PHE 103 -16.623 3.745 -16.296 247 HZ PHE 103 HZ PHE 103 -15.754 5.983 -15.642 248 H LEU 104 H LEU 104 -18.944 4.921 -10.390 249 HA LEU 104 HA LEU 104 -17.353 5.637 -8.118 250 HB2 LEU 104 HB2 LEU 104 -20.049 6.389 -9.209 251 HB3 LEU 104 HB3 LEU 104 -19.744 6.775 -7.526 252 HG LEU 104 HG LEU 104 -17.829 7.618 -9.716 253 HD11 LEU 104 HD11 LEU 104 -20.044 8.607 -10.172 254 HD12 LEU 104 HD12 LEU 104 -20.129 9.201 -8.501 255 HD13 LEU 104 HD13 LEU 104 -18.898 9.836 -9.616 256 HD21 LEU 104 HD21 LEU 104 -17.178 9.335 -8.011 257 HD22 LEU 104 HD22 LEU 104 -18.285 8.576 -6.849 258 HD23 LEU 104 HD23 LEU 104 -16.867 7.698 -7.455 259 H ILE 105 H ILE 105 -17.452 5.094 -5.963 260 HA ILE 105 HA ILE 105 -19.025 2.768 -5.111 261 HB ILE 105 HB ILE 105 -17.377 4.707 -3.441 262 HG12 ILE 105 HG12 ILE 105 -16.721 1.860 -4.353 263 HG13 ILE 105 HG13 ILE 105 -16.138 3.291 -5.191 264 HG21 ILE 105 HG21 ILE 105 -19.154 3.587 -2.110 265 HG22 ILE 105 HG22 ILE 105 -18.747 2.029 -2.856 266 HG23 ILE 105 HG23 ILE 105 -17.613 2.829 -1.743 267 HD11 ILE 105 HD11 ILE 105 -14.387 2.637 -3.744 268 HD12 ILE 105 HD12 ILE 105 -15.130 4.100 -3.037 269 HD13 ILE 105 HD13 ILE 105 -15.467 2.494 -2.345 270 H GLN 106 H GLN 106 -21.040 2.768 -4.499 271 HA GLN 106 HA GLN 106 -22.466 5.188 -3.572 272 HB2 GLN 106 HB2 GLN 106 -24.141 4.971 -5.365 273 HB3 GLN 106 HB3 GLN 106 -22.533 5.275 -6.012 274 HG2 GLN 106 HG2 GLN 106 -22.393 2.684 -6.367 275 HG3 GLN 106 HG3 GLN 106 -24.131 2.691 -6.078 276 HE21 GLN 106 HE22 GLN 106 -21.527 3.722 -8.259 277 HE22 GLN 106 HE21 GLN 106 -22.585 4.069 -9.632 278 HA PRO 107 HA PRO 107 -24.417 2.244 -0.990 279 HB2 PRO 107 HB2 PRO 107 -26.909 3.282 -0.484 280 HB3 PRO 107 HB3 PRO 107 -25.392 3.982 0.145 281 HG2 PRO 107 HG2 PRO 107 -26.947 4.836 -2.308 282 HG3 PRO 107 HG3 PRO 107 -26.290 5.867 -0.995 283 HD2 PRO 107 HD2 PRO 107 -24.962 5.535 -3.340 284 HD3 PRO 107 HD3 PRO 107 -24.069 5.631 -1.797 285 H ASP 108 H ASP 108 -25.318 0.301 -1.244 286 HA ASP 108 HA ASP 108 -26.242 -0.753 -3.560 287 HB2 ASP 108 HB2 ASP 108 -25.402 -1.992 -1.603 288 HB3 ASP 108 HB3 ASP 108 -26.919 -1.685 -0.755 289 H LEU 109 H LEU 109 -28.251 0.927 -1.270 290 HA LEU 109 HA LEU 109 -30.515 0.872 -3.080 291 HB2 LEU 109 HB2 LEU 109 -30.787 -0.935 -1.371 292 HB3 LEU 109 HB3 LEU 109 -30.752 0.269 -0.092 293 HG LEU 109 HG LEU 109 -32.848 0.327 -2.304 294 HD11 LEU 109 HD11 LEU 109 -34.328 -0.954 -0.810 295 HD12 LEU 109 HD12 LEU 109 -32.913 -1.909 -1.278 296 HD13 LEU 109 HD13 LEU 109 -32.997 -1.178 0.341 297 HD21 LEU 109 HD21 LEU 109 -32.874 1.310 0.589 298 HD22 LEU 109 HD22 LEU 109 -32.788 2.349 -0.848 299 HD23 LEU 109 HD23 LEU 109 -34.237 1.403 -0.544 300 HA PRO 110 HA PRO 110 -29.879 5.154 -2.012 301 HB2 PRO 110 HB2 PRO 110 -31.946 6.396 -3.315 302 HB3 PRO 110 HB3 PRO 110 -30.612 5.565 -4.164 303 HG2 PRO 110 HG2 PRO 110 -33.352 4.433 -3.469 304 HG3 PRO 110 HG3 PRO 110 -32.532 4.437 -5.064 305 HD2 PRO 110 HD2 PRO 110 -32.420 2.287 -3.401 306 HD3 PRO 110 HD3 PRO 110 -31.012 2.763 -4.393 307 H ALA 111 H ALA 111 -30.188 4.465 0.165 308 HA ALA 111 HA ALA 111 -32.259 6.081 1.554 309 HB1 ALA 111 HB1 ALA 111 -31.674 3.133 2.115 310 HB2 ALA 111 HB2 ALA 111 -32.768 4.167 3.061 311 HB3 ALA 111 HB3 ALA 111 -33.159 3.786 1.378 312 H ILE 112 H ILE 112 -29.721 6.822 1.112 313 HA ILE 112 HA ILE 112 -27.568 7.077 1.878 314 HB ILE 112 HB ILE 112 -28.925 9.016 2.317 315 HG12 ILE 112 HG12 ILE 112 -27.533 10.243 3.906 316 HG13 ILE 112 HG13 ILE 112 -26.804 8.748 4.482 317 HG21 ILE 112 HG21 ILE 112 -30.535 8.156 3.951 318 HG22 ILE 112 HG22 ILE 112 -29.269 8.101 5.194 319 HG23 ILE 112 HG23 ILE 112 -29.780 9.650 4.500 320 HD11 ILE 112 HD11 ILE 112 -25.782 8.359 2.277 321 HD12 ILE 112 HD12 ILE 112 -26.635 9.770 1.614 322 HD13 ILE 112 HD13 ILE 112 -25.382 9.986 2.853 323 H LEU 113 H LEU 113 -27.379 4.777 2.153 324 HA LEU 113 HA LEU 113 -27.417 3.540 4.745 325 HB2 LEU 113 HB2 LEU 113 -25.969 2.664 2.214 326 HB3 LEU 113 HB3 LEU 113 -26.272 1.656 3.625 327 HG LEU 113 HG LEU 113 -28.413 2.797 1.780 328 HD11 LEU 113 HD11 LEU 113 -28.703 0.456 1.094 329 HD12 LEU 113 HD12 LEU 113 -27.040 0.988 0.786 330 HD13 LEU 113 HD13 LEU 113 -27.394 -0.050 2.183 331 HD21 LEU 113 HD21 LEU 113 -29.327 2.563 4.039 332 HD22 LEU 113 HD22 LEU 113 -29.959 1.282 2.999 333 HD23 LEU 113 HD23 LEU 113 -28.666 0.914 4.167 334 H GLU 114 H GLU 114 -24.873 5.336 3.146 335 HA GLU 114 HA GLU 114 -23.115 5.181 5.473 336 HB2 GLU 114 HB2 GLU 114 -21.162 4.356 4.289 337 HB3 GLU 114 HB3 GLU 114 -22.433 3.146 4.331 338 HG2 GLU 114 HG2 GLU 114 -23.021 3.692 1.961 339 HG3 GLU 114 HG3 GLU 114 -21.706 4.874 1.922 Start of MODEL 4 1 H1 MET 71 H1 MET 71 -8.375 9.591 13.168 2 H2 MET 71 H2 MET 71 -9.103 8.213 12.677 3 H3 MET 71 H3 MET 71 -7.470 8.311 12.690 4 HA MET 71 HA MET 71 -9.279 9.889 10.959 5 HB2 MET 71 HB2 MET 71 -7.199 11.109 11.635 6 HB3 MET 71 HB3 MET 71 -6.223 9.817 10.923 7 HG2 MET 71 HG2 MET 71 -7.201 10.306 8.698 8 HG3 MET 71 HG3 MET 71 -8.226 11.551 9.416 9 HE1 MET 71 HE1 MET 71 -6.355 12.008 6.855 10 HE2 MET 71 HE2 MET 71 -7.400 13.268 7.563 11 HE3 MET 71 HE3 MET 71 -5.685 13.610 7.236 12 H SER 72 H SER 72 -9.793 9.033 8.995 13 HA SER 72 HA SER 72 -8.329 6.734 7.852 14 HB2 SER 72 HB2 SER 72 -10.373 5.363 7.689 15 HB3 SER 72 HB3 SER 72 -9.914 5.657 9.366 16 HG SER 72 HG SER 72 -12.171 5.963 9.028 17 H THR 73 H THR 73 -9.354 6.070 5.718 18 HA THR 73 HA THR 73 -10.827 8.200 4.301 19 HB THR 73 HB THR 73 -8.637 8.892 4.060 20 HG1 THR 73 HG1 THR 73 -8.680 9.113 1.847 21 HG21 THR 73 HG21 THR 73 -8.044 6.267 2.606 22 HG22 THR 73 HG22 THR 73 -6.955 7.668 2.700 23 HG23 THR 73 HG23 THR 73 -7.347 6.761 4.168 24 H VAL 74 H VAL 74 -11.405 7.457 2.028 25 HA VAL 74 HA VAL 74 -11.647 4.564 1.631 26 HB VAL 74 HB VAL 74 -13.522 5.022 3.052 27 HG11 VAL 74 HG11 VAL 74 -14.597 6.967 0.967 28 HG12 VAL 74 HG12 VAL 74 -15.392 6.472 2.473 29 HG13 VAL 74 HG13 VAL 74 -13.916 7.432 2.549 30 HG21 VAL 74 HG21 VAL 74 -13.932 3.284 1.460 31 HG22 VAL 74 HG22 VAL 74 -15.408 4.197 1.738 32 HG23 VAL 74 HG23 VAL 74 -14.500 4.471 0.246 33 HA PRO 75 HA PRO 75 -11.235 6.004 -2.601 34 HB2 PRO 75 HB2 PRO 75 -12.129 3.775 -3.986 35 HB3 PRO 75 HB3 PRO 75 -10.511 3.950 -3.243 36 HG2 PRO 75 HG2 PRO 75 -12.968 2.602 -2.091 37 HG3 PRO 75 HG3 PRO 75 -11.286 1.982 -2.139 38 HD2 PRO 75 HD2 PRO 75 -12.289 3.146 0.089 39 HD3 PRO 75 HD3 PRO 75 -10.607 3.458 -0.413 40 H LYS 76 H LYS 76 -12.392 6.467 -4.486 41 HA LYS 76 HA LYS 76 -15.304 7.101 -4.129 42 HB2 LYS 76 HB2 LYS 76 -13.240 8.139 -6.076 43 HB3 LYS 76 HB3 LYS 76 -14.987 8.441 -6.155 44 HG2 LYS 76 HG2 LYS 76 -14.933 9.567 -3.986 45 HG3 LYS 76 HG3 LYS 76 -13.190 9.244 -3.839 46 HD2 LYS 76 HD2 LYS 76 -12.754 10.583 -5.884 47 HD3 LYS 76 HD3 LYS 76 -14.479 10.819 -6.119 48 HE2 LYS 76 HE2 LYS 76 -13.421 12.821 -5.234 49 HE3 LYS 76 HE3 LYS 76 -14.655 12.202 -4.134 50 HZ1 LYS 76 HZ1 LYS 76 -12.536 12.898 -3.026 51 HZ2 LYS 76 HZ2 LYS 76 -12.929 11.353 -2.691 52 HZ3 LYS 76 HZ3 LYS 76 -11.739 11.670 -3.774 53 H TYR 77 H TYR 77 -13.141 5.111 -6.105 54 HA TYR 77 HA TYR 77 -15.538 4.036 -7.555 55 HB2 TYR 77 HB2 TYR 77 -12.881 4.727 -8.843 56 HB3 TYR 77 HB3 TYR 77 -14.325 4.150 -9.645 57 HD1 TYR 77 HD1 TYR 77 -12.684 7.034 -8.044 58 HD2 TYR 77 HD2 TYR 77 -16.154 5.698 -10.232 59 HE1 TYR 77 HE1 TYR 77 -13.313 9.403 -8.508 60 HE2 TYR 77 HE2 TYR 77 -16.752 8.045 -10.719 61 HH TYR 77 HH TYR 77 -16.197 10.298 -10.427 62 H ARG 78 H ARG 78 -15.412 1.949 -8.332 63 HA ARG 78 HA ARG 78 -12.983 0.314 -7.880 64 HB2 ARG 78 HB2 ARG 78 -14.324 0.059 -5.811 65 HB3 ARG 78 HB3 ARG 78 -15.720 -0.435 -6.769 66 HG2 ARG 78 HG2 ARG 78 -14.486 -2.452 -7.558 67 HG3 ARG 78 HG3 ARG 78 -13.028 -1.897 -6.727 68 HD2 ARG 78 HD2 ARG 78 -14.047 -3.592 -5.377 69 HD3 ARG 78 HD3 ARG 78 -14.244 -2.037 -4.549 70 HE ARG 78 HE ARG 78 -16.540 -2.632 -6.213 71 HH11 ARG 78 HH21 ARG 78 -15.163 -3.624 -3.148 72 HH12 ARG 78 HH22 ARG 78 -16.709 -4.091 -2.501 73 HH21 ARG 78 HH11 ARG 78 -18.488 -3.244 -5.321 74 HH22 ARG 78 HH12 ARG 78 -18.541 -3.879 -3.703 75 H ASP 79 H ASP 79 -12.558 -0.460 -9.812 76 HA ASP 79 HA ASP 79 -14.359 -0.692 -12.016 77 HB2 ASP 79 HB2 ASP 79 -11.989 -0.383 -12.330 78 HB3 ASP 79 HB3 ASP 79 -11.621 -1.869 -11.466 79 HA PRO 80 HA PRO 80 -16.105 -4.584 -10.475 80 HB2 PRO 80 HB2 PRO 80 -18.006 -5.067 -12.389 81 HB3 PRO 80 HB3 PRO 80 -18.160 -3.791 -11.141 82 HG2 PRO 80 HG2 PRO 80 -17.187 -3.484 -13.994 83 HG3 PRO 80 HG3 PRO 80 -18.418 -2.502 -13.131 84 HD2 PRO 80 HD2 PRO 80 -15.841 -1.681 -13.329 85 HD3 PRO 80 HD3 PRO 80 -16.781 -1.422 -11.824 86 H ALA 81 H ALA 81 -14.519 -4.243 -13.591 87 HA ALA 81 HA ALA 81 -14.670 -7.057 -14.327 88 HB1 ALA 81 HB1 ALA 81 -13.021 -4.741 -15.433 89 HB2 ALA 81 HB2 ALA 81 -13.257 -6.325 -16.204 90 HB3 ALA 81 HB3 ALA 81 -14.639 -5.232 -15.977 91 H THR 82 H THR 82 -12.327 -5.060 -12.593 92 HA THR 82 HA THR 82 -10.459 -7.408 -12.299 93 HB THR 82 HB THR 82 -8.659 -5.935 -12.280 94 HG1 THR 82 HG1 THR 82 -10.550 -3.902 -12.929 95 HG21 THR 82 HG21 THR 82 -10.354 -5.377 -14.731 96 HG22 THR 82 HG22 THR 82 -8.579 -5.426 -14.619 97 HG23 THR 82 HG23 THR 82 -9.533 -6.914 -14.377 98 H GLY 83 H GLY 83 -12.173 -4.899 -10.505 99 HA2 GLY 83 HA2 GLY 83 -12.398 -4.723 -8.203 100 HA3 GLY 83 HA3 GLY 83 -11.057 -5.839 -7.941 101 H LYS 84 H LYS 84 -9.943 -3.550 -10.147 102 HA LYS 84 HA LYS 84 -8.206 -2.142 -8.334 103 HB2 LYS 84 HB2 LYS 84 -9.083 -1.602 -11.198 104 HB3 LYS 84 HB3 LYS 84 -7.892 -0.608 -10.345 105 HG2 LYS 84 HG2 LYS 84 -6.517 -2.609 -9.879 106 HG3 LYS 84 HG3 LYS 84 -7.608 -3.601 -10.846 107 HD2 LYS 84 HD2 LYS 84 -6.148 -1.131 -11.877 108 HD3 LYS 84 HD3 LYS 84 -5.522 -2.785 -12.031 109 HE2 LYS 84 HE2 LYS 84 -7.617 -3.408 -13.287 110 HE3 LYS 84 HE3 LYS 84 -8.120 -1.717 -13.247 111 HZ1 LYS 84 HZ1 LYS 84 -5.645 -2.755 -14.550 112 HZ2 LYS 84 HZ2 LYS 84 -6.980 -2.228 -15.329 113 HZ3 LYS 84 HZ3 LYS 84 -6.056 -1.173 -14.490 114 H THR 85 H THR 85 -8.216 -0.025 -7.581 115 HA THR 85 HA THR 85 -10.865 1.365 -7.508 116 HB THR 85 HB THR 85 -10.368 1.922 -5.110 117 HG1 THR 85 HG1 THR 85 -8.854 0.570 -4.051 118 HG21 THR 85 HG21 THR 85 -11.954 0.131 -5.670 119 HG22 THR 85 HG22 THR 85 -10.631 -1.060 -5.672 120 HG23 THR 85 HG23 THR 85 -11.086 -0.219 -4.171 121 H TRP 86 H TRP 86 -10.870 3.592 -6.852 122 HA TRP 86 HA TRP 86 -8.325 5.066 -6.832 123 HB2 TRP 86 HB2 TRP 86 -8.844 4.798 -9.241 124 HB3 TRP 86 HB3 TRP 86 -10.400 5.569 -8.999 125 HD1 TRP 86 HD1 TRP 86 -6.694 6.499 -8.229 126 HE1 TRP 86 HE1 TRP 86 -6.311 8.972 -8.784 127 HE3 TRP 86 HE3 TRP 86 -11.370 7.671 -9.942 128 HZ2 TRP 86 HZ2 TRP 86 -7.848 11.190 -9.832 129 HZ3 TRP 86 HZ3 TRP 86 -11.914 9.992 -10.626 130 HH2 TRP 86 HH2 TRP 86 -10.195 11.761 -10.512 131 H SER 87 H SER 87 -8.599 7.326 -6.232 132 HA SER 87 HA SER 87 -11.123 7.900 -4.693 133 HB2 SER 87 HB2 SER 87 -9.656 8.460 -2.785 134 HB3 SER 87 HB3 SER 87 -9.350 6.798 -3.329 135 HG SER 87 HG SER 87 -7.370 7.876 -3.039 136 H GLY 88 H GLY 88 -8.930 9.282 -6.917 137 HA2 GLY 88 HA2 GLY 88 -9.478 11.596 -7.638 138 HA3 GLY 88 HA3 GLY 88 -9.538 12.063 -5.948 139 H ARG 89 H ARG 89 -7.080 10.245 -5.465 140 HA ARG 89 HA ARG 89 -5.046 12.306 -5.752 141 HB2 ARG 89 HB2 ARG 89 -4.887 9.381 -4.876 142 HB3 ARG 89 HB3 ARG 89 -3.548 10.530 -4.791 143 HG2 ARG 89 HG2 ARG 89 -4.912 11.993 -3.277 144 HG3 ARG 89 HG3 ARG 89 -6.210 10.790 -3.318 145 HD2 ARG 89 HD2 ARG 89 -4.992 10.440 -1.301 146 HD3 ARG 89 HD3 ARG 89 -4.624 9.090 -2.396 147 HE ARG 89 HE ARG 89 -2.684 11.239 -2.626 148 HH11 ARG 89 HH11 ARG 89 -3.472 8.545 -0.536 149 HH12 ARG 89 HH12 ARG 89 -1.835 8.390 0.045 150 HH21 ARG 89 HH21 ARG 89 -0.611 10.988 -1.858 151 HH22 ARG 89 HH22 ARG 89 -0.255 9.754 -0.689 152 H GLY 90 H GLY 90 -3.157 12.289 -6.952 153 HA2 GLY 90 HA2 GLY 90 -1.776 11.956 -8.774 154 HA3 GLY 90 HA3 GLY 90 -2.282 10.271 -8.760 155 H ARG 91 H ARG 91 -1.945 10.568 -11.109 156 HA ARG 91 HA ARG 91 -3.874 12.001 -12.777 157 HB2 ARG 91 HB2 ARG 91 -2.120 9.627 -13.460 158 HB3 ARG 91 HB3 ARG 91 -3.058 10.656 -14.572 159 HG2 ARG 91 HG2 ARG 91 -1.723 12.628 -13.915 160 HG3 ARG 91 HG3 ARG 91 -0.738 11.608 -12.842 161 HD2 ARG 91 HD2 ARG 91 -0.041 10.241 -14.780 162 HD3 ARG 91 HD3 ARG 91 -1.013 11.266 -15.856 163 HE ARG 91 HE ARG 91 0.748 12.949 -14.391 164 HH11 ARG 91 HH11 ARG 91 1.028 10.529 -16.913 165 HH12 ARG 91 HH12 ARG 91 2.492 11.228 -17.548 166 HH21 ARG 91 HH21 ARG 91 2.617 13.782 -15.245 167 HH22 ARG 91 HH22 ARG 91 3.367 13.024 -16.619 168 H GLN 92 H GLN 92 -5.745 11.323 -13.682 169 HA GLN 92 HA GLN 92 -7.350 9.394 -12.344 170 HB2 GLN 92 HB2 GLN 92 -8.179 11.405 -13.499 171 HB3 GLN 92 HB3 GLN 92 -7.739 10.696 -15.065 172 HG2 GLN 92 HG2 GLN 92 -9.322 8.827 -14.630 173 HG3 GLN 92 HG3 GLN 92 -9.755 9.554 -13.081 174 HE21 GLN 92 HE22 GLN 92 -9.973 9.956 -16.645 175 HE22 GLN 92 HE21 GLN 92 -11.284 11.121 -16.562 176 HA PRO 93 HA PRO 93 -6.001 5.606 -14.443 177 HB2 PRO 93 HB2 PRO 93 -8.747 4.596 -13.797 178 HB3 PRO 93 HB3 PRO 93 -7.148 3.862 -13.474 179 HG2 PRO 93 HG2 PRO 93 -8.612 5.059 -11.511 180 HG3 PRO 93 HG3 PRO 93 -6.822 5.186 -11.558 181 HD2 PRO 93 HD2 PRO 93 -8.878 7.228 -12.396 182 HD3 PRO 93 HD3 PRO 93 -7.307 7.444 -11.564 183 H ALA 94 H ALA 94 -6.433 4.323 -16.329 184 HA ALA 94 HA ALA 94 -7.749 5.642 -18.497 185 HB1 ALA 94 HB1 ALA 94 -7.155 3.597 -19.745 186 HB2 ALA 94 HB2 ALA 94 -5.802 4.163 -18.746 187 HB3 ALA 94 HB3 ALA 94 -6.768 2.764 -18.226 188 H TRP 95 H TRP 95 -8.841 2.869 -16.466 189 HA TRP 95 HA TRP 95 -11.237 2.309 -17.935 190 HB2 TRP 95 HB2 TRP 95 -11.979 1.160 -15.853 191 HB3 TRP 95 HB3 TRP 95 -10.416 0.650 -16.458 192 HD1 TRP 95 HD1 TRP 95 -8.270 1.199 -15.000 193 HE1 TRP 95 HE1 TRP 95 -7.965 1.615 -12.494 194 HE3 TRP 95 HE3 TRP 95 -13.168 2.185 -13.713 195 HZ2 TRP 95 HZ2 TRP 95 -9.595 2.220 -10.230 196 HZ3 TRP 95 HZ3 TRP 95 -13.742 2.575 -11.344 197 HH2 TRP 95 HH2 TRP 95 -11.979 2.600 -9.599 198 H LEU 96 H LEU 96 -10.571 4.689 -15.442 199 HA LEU 96 HA LEU 96 -13.175 5.477 -14.736 200 HB2 LEU 96 HB2 LEU 96 -10.516 6.255 -14.170 201 HB3 LEU 96 HB3 LEU 96 -11.207 7.668 -14.924 202 HG LEU 96 HG LEU 96 -11.330 7.800 -12.537 203 HD11 LEU 96 HD11 LEU 96 -13.159 8.861 -13.733 204 HD12 LEU 96 HD12 LEU 96 -14.115 7.375 -13.660 205 HD13 LEU 96 HD13 LEU 96 -13.705 8.239 -12.170 206 HD21 LEU 96 HD21 LEU 96 -12.691 6.246 -11.184 207 HD22 LEU 96 HD22 LEU 96 -12.904 5.201 -12.593 208 HD23 LEU 96 HD23 LEU 96 -11.289 5.462 -11.932 209 H GLY 97 H GLY 97 -11.275 6.360 -17.580 210 HA2 GLY 97 HA2 GLY 97 -12.843 8.649 -18.362 211 HA3 GLY 97 HA3 GLY 97 -11.554 7.875 -19.283 212 H ASN 98 H ASN 98 -14.760 6.687 -18.168 213 HA ASN 98 HA ASN 98 -15.641 6.282 -21.001 214 HB2 ASN 98 HB2 ASN 98 -15.559 4.127 -18.832 215 HB3 ASN 98 HB3 ASN 98 -16.467 3.991 -20.338 216 HD21 ASN 98 HD22 ASN 98 -13.362 3.625 -18.879 217 HD22 ASN 98 HD21 ASN 98 -12.505 3.239 -20.375 218 H ASP 99 H ASP 99 -16.882 5.557 -17.694 219 HA ASP 99 HA ASP 99 -18.926 7.637 -17.869 220 HB2 ASP 99 HB2 ASP 99 -19.990 5.846 -19.166 221 HB3 ASP 99 HB3 ASP 99 -19.756 4.710 -17.839 222 HA PRO 100 HA PRO 100 -16.614 6.872 -13.938 223 HB2 PRO 100 HB2 PRO 100 -17.896 9.521 -13.355 224 HB3 PRO 100 HB3 PRO 100 -16.260 8.903 -12.934 225 HG2 PRO 100 HG2 PRO 100 -16.595 10.525 -15.089 226 HG3 PRO 100 HG3 PRO 100 -15.499 9.111 -15.162 227 HD2 PRO 100 HD2 PRO 100 -18.275 9.400 -16.282 228 HD3 PRO 100 HD3 PRO 100 -16.856 8.543 -16.954 229 H ALA 101 H ALA 101 -20.030 7.974 -13.916 230 HA ALA 101 HA ALA 101 -20.603 7.230 -11.238 231 HB1 ALA 101 HB1 ALA 101 -22.943 7.543 -11.944 232 HB2 ALA 101 HB2 ALA 101 -21.897 8.840 -12.556 233 HB3 ALA 101 HB3 ALA 101 -22.435 7.538 -13.649 234 H ALA 102 H ALA 102 -20.373 5.161 -14.085 235 HA ALA 102 HA ALA 102 -22.221 3.123 -13.307 236 HB1 ALA 102 HB1 ALA 102 -21.104 1.814 -15.062 237 HB2 ALA 102 HB2 ALA 102 -21.369 3.481 -15.608 238 HB3 ALA 102 HB3 ALA 102 -19.752 2.959 -15.093 239 H PHE 103 H PHE 103 -18.882 3.700 -12.367 240 HA PHE 103 HA PHE 103 -18.902 1.290 -10.596 241 HB2 PHE 103 HB2 PHE 103 -16.389 1.205 -11.196 242 HB3 PHE 103 HB3 PHE 103 -17.568 0.631 -12.359 243 HD1 PHE 103 HD1 PHE 103 -15.845 3.860 -11.473 244 HD2 PHE 103 HD2 PHE 103 -17.284 1.259 -14.588 245 HE1 PHE 103 HE1 PHE 103 -15.084 5.470 -13.161 246 HE2 PHE 103 HE2 PHE 103 -16.473 2.859 -16.299 247 HZ PHE 103 HZ PHE 103 -15.371 4.976 -15.596 248 H LEU 104 H LEU 104 -19.349 4.367 -10.241 249 HA LEU 104 HA LEU 104 -17.397 5.096 -8.195 250 HB2 LEU 104 HB2 LEU 104 -18.939 6.585 -9.700 251 HB3 LEU 104 HB3 LEU 104 -20.171 6.297 -8.491 252 HG LEU 104 HG LEU 104 -17.405 7.456 -7.909 253 HD11 LEU 104 HD11 LEU 104 -18.465 9.664 -7.940 254 HD12 LEU 104 HD12 LEU 104 -18.650 8.883 -9.512 255 HD13 LEU 104 HD13 LEU 104 -20.025 8.937 -8.394 256 HD21 LEU 104 HD21 LEU 104 -18.545 6.661 -5.862 257 HD22 LEU 104 HD22 LEU 104 -18.410 8.403 -5.887 258 HD23 LEU 104 HD23 LEU 104 -19.971 7.633 -6.268 259 H ILE 105 H ILE 105 -17.501 4.545 -6.061 260 HA ILE 105 HA ILE 105 -19.203 2.356 -5.205 261 HB ILE 105 HB ILE 105 -17.249 4.109 -3.663 262 HG12 ILE 105 HG12 ILE 105 -16.860 1.241 -4.625 263 HG13 ILE 105 HG13 ILE 105 -16.357 2.630 -5.581 264 HG21 ILE 105 HG21 ILE 105 -18.621 1.494 -2.848 265 HG22 ILE 105 HG22 ILE 105 -17.339 2.312 -1.934 266 HG23 ILE 105 HG23 ILE 105 -18.902 3.090 -2.114 267 HD11 ILE 105 HD11 ILE 105 -15.311 1.915 -2.825 268 HD12 ILE 105 HD12 ILE 105 -14.435 1.905 -4.361 269 HD13 ILE 105 HD13 ILE 105 -14.989 3.446 -3.674 270 H GLN 106 H GLN 106 -21.196 2.478 -4.440 271 HA GLN 106 HA GLN 106 -22.296 4.990 -3.261 272 HB2 GLN 106 HB2 GLN 106 -23.241 3.435 -5.698 273 HB3 GLN 106 HB3 GLN 106 -24.326 4.506 -4.818 274 HG2 GLN 106 HG2 GLN 106 -23.044 6.452 -5.335 275 HG3 GLN 106 HG3 GLN 106 -21.680 5.509 -5.926 276 HE21 GLN 106 HE22 GLN 106 -21.861 4.364 -7.969 277 HE22 GLN 106 HE21 GLN 106 -23.020 4.935 -9.168 278 HA PRO 107 HA PRO 107 -24.411 2.440 -0.382 279 HB2 PRO 107 HB2 PRO 107 -27.011 3.817 -1.046 280 HB3 PRO 107 HB3 PRO 107 -26.243 3.576 0.554 281 HG2 PRO 107 HG2 PRO 107 -26.124 5.981 -0.689 282 HG3 PRO 107 HG3 PRO 107 -24.666 5.320 0.129 283 HD2 PRO 107 HD2 PRO 107 -25.347 5.273 -2.816 284 HD3 PRO 107 HD3 PRO 107 -23.808 5.691 -2.009 285 H ASP 108 H ASP 108 -25.546 2.265 -3.583 286 HA ASP 108 HA ASP 108 -27.004 1.033 -4.797 287 HB2 ASP 108 HB2 ASP 108 -25.174 -0.579 -4.183 288 HB3 ASP 108 HB3 ASP 108 -26.221 -1.215 -2.913 289 H LEU 109 H LEU 109 -28.181 2.404 -2.494 290 HA LEU 109 HA LEU 109 -30.848 1.136 -2.424 291 HB2 LEU 109 HB2 LEU 109 -29.176 2.034 -0.044 292 HB3 LEU 109 HB3 LEU 109 -30.916 1.826 0.060 293 HG LEU 109 HG LEU 109 -28.963 -0.421 -0.628 294 HD11 LEU 109 HD11 LEU 109 -28.697 0.403 1.679 295 HD12 LEU 109 HD12 LEU 109 -30.439 0.205 1.961 296 HD13 LEU 109 HD13 LEU 109 -29.415 -1.214 1.643 297 HD21 LEU 109 HD21 LEU 109 -31.943 -0.469 0.039 298 HD22 LEU 109 HD22 LEU 109 -31.216 -0.857 -1.537 299 HD23 LEU 109 HD23 LEU 109 -30.903 -1.894 -0.145 300 HA PRO 110 HA PRO 110 -32.394 5.333 -2.973 301 HB2 PRO 110 HB2 PRO 110 -34.204 4.779 -0.655 302 HB3 PRO 110 HB3 PRO 110 -34.564 5.475 -2.273 303 HG2 PRO 110 HG2 PRO 110 -35.163 2.874 -1.707 304 HG3 PRO 110 HG3 PRO 110 -34.468 3.330 -3.300 305 HD2 PRO 110 HD2 PRO 110 -33.061 2.156 -0.895 306 HD3 PRO 110 HD3 PRO 110 -32.895 1.734 -2.628 307 H ALA 111 H ALA 111 -31.991 7.362 -2.206 308 HA ALA 111 HA ALA 111 -31.353 7.818 0.651 309 HB1 ALA 111 HB1 ALA 111 -29.260 8.989 0.036 310 HB2 ALA 111 HB2 ALA 111 -29.214 7.321 -0.554 311 HB3 ALA 111 HB3 ALA 111 -29.563 8.655 -1.681 312 H ILE 112 H ILE 112 -33.643 8.393 -0.750 313 HA ILE 112 HA ILE 112 -33.883 11.353 -0.543 314 HB ILE 112 HB ILE 112 -35.039 9.697 -2.823 315 HG12 ILE 112 HG12 ILE 112 -32.641 10.072 -3.214 316 HG13 ILE 112 HG13 ILE 112 -33.675 10.886 -4.373 317 HG21 ILE 112 HG21 ILE 112 -35.272 12.674 -2.192 318 HG22 ILE 112 HG22 ILE 112 -35.697 11.945 -3.754 319 HG23 ILE 112 HG23 ILE 112 -36.588 11.486 -2.309 320 HD11 ILE 112 HD11 ILE 112 -31.695 12.232 -3.664 321 HD12 ILE 112 HD12 ILE 112 -33.236 13.058 -3.394 322 HD13 ILE 112 HD13 ILE 112 -32.364 12.334 -2.027 323 H LEU 113 H LEU 113 -34.497 10.663 1.519 324 HA LEU 113 HA LEU 113 -37.341 9.897 1.833 325 HB2 LEU 113 HB2 LEU 113 -35.989 7.794 1.749 326 HB3 LEU 113 HB3 LEU 113 -34.972 8.403 3.052 327 HG LEU 113 HG LEU 113 -36.929 8.359 4.596 328 HD11 LEU 113 HD11 LEU 113 -38.799 8.617 2.996 329 HD12 LEU 113 HD12 LEU 113 -38.379 7.067 2.237 330 HD13 LEU 113 HD13 LEU 113 -38.975 7.122 3.913 331 HD21 LEU 113 HD21 LEU 113 -36.426 5.731 3.143 332 HD22 LEU 113 HD22 LEU 113 -35.411 6.424 4.430 333 HD23 LEU 113 HD23 LEU 113 -37.064 5.917 4.792 334 H GLU 114 H GLU 114 -38.258 10.644 3.738 335 HA GLU 114 HA GLU 114 -36.660 11.973 5.838 336 HB2 GLU 114 HB2 GLU 114 -37.034 13.678 4.178 337 HB3 GLU 114 HB3 GLU 114 -38.781 13.407 4.246 338 HG2 GLU 114 HG2 GLU 114 -38.333 15.352 5.536 339 HG3 GLU 114 HG3 GLU 114 -38.706 14.086 6.690 Start of MODEL 5 1 H1 MET 71 H1 MET 71 -6.139 9.088 11.926 2 H2 MET 71 H2 MET 71 -5.746 7.663 11.230 3 H3 MET 71 H3 MET 71 -5.704 9.040 10.347 4 HA MET 71 HA MET 71 -8.132 7.809 11.498 5 HB2 MET 71 HB2 MET 71 -8.260 10.293 11.415 6 HB3 MET 71 HB3 MET 71 -7.906 10.259 9.684 7 HG2 MET 71 HG2 MET 71 -10.294 10.566 10.138 8 HG3 MET 71 HG3 MET 71 -10.001 9.093 9.236 9 HE1 MET 71 HE1 MET 71 -13.188 8.184 11.293 10 HE2 MET 71 HE2 MET 71 -12.776 9.759 10.577 11 HE3 MET 71 HE3 MET 71 -12.439 8.258 9.683 12 H SER 72 H SER 72 -9.178 6.312 10.267 13 HA SER 72 HA SER 72 -7.937 5.064 8.046 14 HB2 SER 72 HB2 SER 72 -10.848 4.955 8.922 15 HB3 SER 72 HB3 SER 72 -10.018 3.773 7.898 16 HG SER 72 HG SER 72 -10.083 3.096 10.096 17 H THR 73 H THR 73 -8.700 4.772 5.878 18 HA THR 73 HA THR 73 -10.362 6.936 4.646 19 HB THR 73 HB THR 73 -8.900 7.258 2.902 20 HG1 THR 73 HG1 THR 73 -6.797 6.345 2.875 21 HG21 THR 73 HG21 THR 73 -7.080 8.490 3.929 22 HG22 THR 73 HG22 THR 73 -8.548 8.682 4.900 23 HG23 THR 73 HG23 THR 73 -7.261 7.586 5.446 24 H VAL 74 H VAL 74 -11.012 6.431 2.414 25 HA VAL 74 HA VAL 74 -11.232 3.546 1.742 26 HB VAL 74 HB VAL 74 -13.677 3.853 1.283 27 HG11 VAL 74 HG11 VAL 74 -12.865 2.699 3.323 28 HG12 VAL 74 HG12 VAL 74 -12.963 4.238 4.211 29 HG13 VAL 74 HG13 VAL 74 -14.432 3.501 3.548 30 HG21 VAL 74 HG21 VAL 74 -13.806 6.330 1.242 31 HG22 VAL 74 HG22 VAL 74 -14.945 5.606 2.380 32 HG23 VAL 74 HG23 VAL 74 -13.469 6.368 2.989 33 HA PRO 75 HA PRO 75 -10.967 5.142 -2.473 34 HB2 PRO 75 HB2 PRO 75 -12.234 3.214 -3.924 35 HB3 PRO 75 HB3 PRO 75 -10.632 2.972 -3.170 36 HG2 PRO 75 HG2 PRO 75 -13.341 2.166 -2.065 37 HG3 PRO 75 HG3 PRO 75 -11.870 1.152 -2.233 38 HD2 PRO 75 HD2 PRO 75 -12.510 2.353 0.112 39 HD3 PRO 75 HD3 PRO 75 -10.810 2.249 -0.419 40 H LYS 76 H LYS 76 -12.244 5.840 -4.202 41 HA LYS 76 HA LYS 76 -15.036 6.706 -3.530 42 HB2 LYS 76 HB2 LYS 76 -13.410 8.481 -3.502 43 HB3 LYS 76 HB3 LYS 76 -12.971 8.171 -5.197 44 HG2 LYS 76 HG2 LYS 76 -15.233 8.793 -5.913 45 HG3 LYS 76 HG3 LYS 76 -15.755 8.977 -4.231 46 HD2 LYS 76 HD2 LYS 76 -14.212 10.845 -3.905 47 HD3 LYS 76 HD3 LYS 76 -13.492 10.598 -5.505 48 HE2 LYS 76 HE2 LYS 76 -15.668 11.099 -6.577 49 HE3 LYS 76 HE3 LYS 76 -16.408 11.349 -4.990 50 HZ1 LYS 76 HZ1 LYS 76 -14.199 12.992 -6.135 51 HZ2 LYS 76 HZ2 LYS 76 -15.749 13.468 -5.978 52 HZ3 LYS 76 HZ3 LYS 76 -14.847 13.218 -4.645 53 H TYR 77 H TYR 77 -13.051 4.970 -5.806 54 HA TYR 77 HA TYR 77 -15.439 4.367 -7.471 55 HB2 TYR 77 HB2 TYR 77 -12.729 5.020 -8.659 56 HB3 TYR 77 HB3 TYR 77 -14.243 4.782 -9.505 57 HD1 TYR 77 HD1 TYR 77 -12.251 7.083 -7.389 58 HD2 TYR 77 HD2 TYR 77 -15.789 6.655 -9.811 59 HE1 TYR 77 HE1 TYR 77 -12.507 9.556 -7.447 60 HE2 TYR 77 HE2 TYR 77 -16.006 9.142 -9.911 61 HH TYR 77 HH TYR 77 -15.113 11.175 -9.292 62 H ARG 78 H ARG 78 -15.416 2.252 -8.310 63 HA ARG 78 HA ARG 78 -12.920 0.680 -8.257 64 HB2 ARG 78 HB2 ARG 78 -13.987 0.276 -6.048 65 HB3 ARG 78 HB3 ARG 78 -15.436 -0.339 -6.864 66 HG2 ARG 78 HG2 ARG 78 -14.104 -2.181 -7.857 67 HG3 ARG 78 HG3 ARG 78 -12.624 -1.466 -7.206 68 HD2 ARG 78 HD2 ARG 78 -13.718 -1.749 -4.875 69 HD3 ARG 78 HD3 ARG 78 -14.872 -2.817 -5.704 70 HE ARG 78 HE ARG 78 -12.081 -3.442 -6.314 71 HH11 ARG 78 HH21 ARG 78 -14.492 -4.022 -3.830 72 HH12 ARG 78 HH22 ARG 78 -13.675 -5.446 -3.249 73 HH21 ARG 78 HH11 ARG 78 -11.089 -5.221 -5.523 74 HH22 ARG 78 HH12 ARG 78 -11.786 -6.117 -4.203 75 H ASP 79 H ASP 79 -12.688 -0.238 -10.135 76 HA ASP 79 HA ASP 79 -14.669 -0.416 -12.200 77 HB2 ASP 79 HB2 ASP 79 -12.352 -0.211 -12.753 78 HB3 ASP 79 HB3 ASP 79 -11.926 -1.634 -11.808 79 HA PRO 80 HA PRO 80 -16.298 -4.350 -10.510 80 HB2 PRO 80 HB2 PRO 80 -18.418 -4.767 -12.183 81 HB3 PRO 80 HB3 PRO 80 -18.419 -3.522 -10.896 82 HG2 PRO 80 HG2 PRO 80 -17.783 -3.152 -13.837 83 HG3 PRO 80 HG3 PRO 80 -18.904 -2.190 -12.819 84 HD2 PRO 80 HD2 PRO 80 -16.354 -1.374 -13.300 85 HD3 PRO 80 HD3 PRO 80 -17.133 -1.120 -11.707 86 H ALA 81 H ALA 81 -15.123 -3.852 -13.794 87 HA ALA 81 HA ALA 81 -15.437 -6.576 -14.692 88 HB1 ALA 81 HB1 ALA 81 -13.695 -4.311 -15.744 89 HB2 ALA 81 HB2 ALA 81 -14.135 -5.795 -16.614 90 HB3 ALA 81 HB3 ALA 81 -15.388 -4.610 -16.185 91 H THR 82 H THR 82 -12.715 -4.811 -13.210 92 HA THR 82 HA THR 82 -11.133 -7.366 -13.013 93 HB THR 82 HB THR 82 -9.165 -6.166 -13.226 94 HG1 THR 82 HG1 THR 82 -10.814 -3.878 -13.624 95 HG21 THR 82 HG21 THR 82 -10.383 -7.022 -15.194 96 HG22 THR 82 HG22 THR 82 -11.001 -5.385 -15.507 97 HG23 THR 82 HG23 THR 82 -9.250 -5.699 -15.565 98 H GLY 83 H GLY 83 -12.516 -4.802 -11.111 99 HA2 GLY 83 HA2 GLY 83 -12.686 -4.818 -8.795 100 HA3 GLY 83 HA3 GLY 83 -11.315 -5.920 -8.664 101 H LYS 84 H LYS 84 -10.285 -3.469 -10.674 102 HA LYS 84 HA LYS 84 -8.413 -2.319 -8.851 103 HB2 LYS 84 HB2 LYS 84 -9.431 -1.436 -11.586 104 HB3 LYS 84 HB3 LYS 84 -8.116 -0.621 -10.724 105 HG2 LYS 84 HG2 LYS 84 -6.828 -2.693 -10.607 106 HG3 LYS 84 HG3 LYS 84 -8.108 -3.589 -11.423 107 HD2 LYS 84 HD2 LYS 84 -7.859 -2.107 -13.425 108 HD3 LYS 84 HD3 LYS 84 -6.501 -1.284 -12.619 109 HE2 LYS 84 HE2 LYS 84 -5.297 -3.469 -12.466 110 HE3 LYS 84 HE3 LYS 84 -6.651 -4.272 -13.266 111 HZ1 LYS 84 HZ1 LYS 84 -4.879 -3.735 -14.849 112 HZ2 LYS 84 HZ2 LYS 84 -6.221 -2.892 -15.239 113 HZ3 LYS 84 HZ3 LYS 84 -4.968 -2.142 -14.492 114 H THR 85 H THR 85 -8.268 -0.324 -7.856 115 HA THR 85 HA THR 85 -10.830 1.176 -7.400 116 HB THR 85 HB THR 85 -9.923 1.530 -5.064 117 HG1 THR 85 HG1 THR 85 -8.354 0.038 -4.364 118 HG21 THR 85 HG21 THR 85 -10.504 -1.352 -5.841 119 HG22 THR 85 HG22 THR 85 -10.595 -0.668 -4.198 120 HG23 THR 85 HG23 THR 85 -11.700 -0.089 -5.448 121 H TRP 86 H TRP 86 -10.741 3.343 -6.761 122 HA TRP 86 HA TRP 86 -8.189 4.776 -6.636 123 HB2 TRP 86 HB2 TRP 86 -8.637 4.716 -9.056 124 HB3 TRP 86 HB3 TRP 86 -10.232 5.411 -8.801 125 HD1 TRP 86 HD1 TRP 86 -6.603 6.463 -7.826 126 HE1 TRP 86 HE1 TRP 86 -6.327 8.983 -8.250 127 HE3 TRP 86 HE3 TRP 86 -11.218 7.459 -9.801 128 HZ2 TRP 86 HZ2 TRP 86 -7.994 11.183 -9.084 129 HZ3 TRP 86 HZ3 TRP 86 -11.885 9.800 -10.297 130 HH2 TRP 86 HH2 TRP 86 -10.339 11.663 -9.842 131 H SER 87 H SER 87 -8.545 7.082 -5.940 132 HA SER 87 HA SER 87 -11.017 7.346 -4.254 133 HB2 SER 87 HB2 SER 87 -9.515 8.008 -2.415 134 HB3 SER 87 HB3 SER 87 -9.089 6.402 -3.036 135 HG SER 87 HG SER 87 -7.222 7.731 -2.795 136 H GLY 88 H GLY 88 -9.072 9.103 -6.470 137 HA2 GLY 88 HA2 GLY 88 -9.973 11.356 -7.059 138 HA3 GLY 88 HA3 GLY 88 -10.017 11.730 -5.345 139 H ARG 89 H ARG 89 -7.287 10.192 -5.156 140 HA ARG 89 HA ARG 89 -5.562 12.496 -5.317 141 HB2 ARG 89 HB2 ARG 89 -5.338 10.614 -3.695 142 HB3 ARG 89 HB3 ARG 89 -4.864 9.534 -5.011 143 HG2 ARG 89 HG2 ARG 89 -2.859 10.946 -5.445 144 HG3 ARG 89 HG3 ARG 89 -3.371 12.069 -4.170 145 HD2 ARG 89 HD2 ARG 89 -3.182 10.211 -2.497 146 HD3 ARG 89 HD3 ARG 89 -2.691 9.120 -3.790 147 HE ARG 89 HE ARG 89 -0.577 10.083 -3.881 148 HH11 ARG 89 HH11 ARG 89 -2.504 12.024 -1.673 149 HH12 ARG 89 HH12 ARG 89 -1.109 12.872 -1.065 150 HH21 ARG 89 HH21 ARG 89 1.144 11.218 -3.068 151 HH22 ARG 89 HH22 ARG 89 0.898 12.428 -1.841 152 H GLY 90 H GLY 90 -4.377 13.276 -6.957 153 HA2 GLY 90 HA2 GLY 90 -3.249 13.466 -8.976 154 HA3 GLY 90 HA3 GLY 90 -3.114 11.710 -9.018 155 H ARG 91 H ARG 91 -3.364 12.141 -11.366 156 HA ARG 91 HA ARG 91 -5.925 12.846 -12.528 157 HB2 ARG 91 HB2 ARG 91 -3.836 13.048 -13.680 158 HB3 ARG 91 HB3 ARG 91 -3.587 11.292 -13.660 159 HG2 ARG 91 HG2 ARG 91 -5.611 11.003 -15.068 160 HG3 ARG 91 HG3 ARG 91 -5.888 12.751 -15.059 161 HD2 ARG 91 HD2 ARG 91 -3.412 11.360 -16.165 162 HD3 ARG 91 HD3 ARG 91 -4.799 11.877 -17.139 163 HE ARG 91 HE ARG 91 -4.022 14.185 -15.798 164 HH11 ARG 91 HH11 ARG 91 -2.452 12.044 -18.086 165 HH12 ARG 91 HH12 ARG 91 -1.404 13.300 -18.681 166 HH21 ARG 91 HH21 ARG 91 -2.663 15.742 -16.606 167 HH22 ARG 91 HH22 ARG 91 -1.533 15.343 -17.873 168 H GLN 92 H GLN 92 -7.618 11.528 -13.160 169 HA GLN 92 HA GLN 92 -8.159 9.124 -11.779 170 HB2 GLN 92 HB2 GLN 92 -10.104 8.935 -13.146 171 HB3 GLN 92 HB3 GLN 92 -9.926 10.591 -12.611 172 HG2 GLN 92 HG2 GLN 92 -9.084 9.689 -15.412 173 HG3 GLN 92 HG3 GLN 92 -10.735 10.083 -15.001 174 HE21 GLN 92 HE22 GLN 92 -10.647 11.780 -16.648 175 HE22 GLN 92 HE21 GLN 92 -9.870 13.301 -16.241 176 HA PRO 93 HA PRO 93 -6.176 6.030 -14.296 177 HB2 PRO 93 HB2 PRO 93 -7.562 3.768 -13.693 178 HB3 PRO 93 HB3 PRO 93 -6.545 4.618 -12.490 179 HG2 PRO 93 HG2 PRO 93 -9.548 4.861 -12.885 180 HG3 PRO 93 HG3 PRO 93 -8.649 4.562 -11.363 181 HD2 PRO 93 HD2 PRO 93 -9.457 7.064 -12.075 182 HD3 PRO 93 HD3 PRO 93 -7.892 6.789 -11.256 183 H ALA 94 H ALA 94 -6.460 4.616 -16.144 184 HA ALA 94 HA ALA 94 -7.952 5.795 -18.176 185 HB1 ALA 94 HB1 ALA 94 -7.200 3.885 -19.538 186 HB2 ALA 94 HB2 ALA 94 -5.901 4.486 -18.494 187 HB3 ALA 94 HB3 ALA 94 -6.770 2.988 -18.063 188 H TRP 95 H TRP 95 -8.934 2.945 -16.221 189 HA TRP 95 HA TRP 95 -11.182 2.201 -17.835 190 HB2 TRP 95 HB2 TRP 95 -11.982 1.059 -15.736 191 HB3 TRP 95 HB3 TRP 95 -10.407 0.583 -16.347 192 HD1 TRP 95 HD1 TRP 95 -8.345 0.926 -14.834 193 HE1 TRP 95 HE1 TRP 95 -8.044 1.409 -12.331 194 HE3 TRP 95 HE3 TRP 95 -13.139 2.450 -13.699 195 HZ2 TRP 95 HZ2 TRP 95 -9.660 2.261 -10.128 196 HZ3 TRP 95 HZ3 TRP 95 -13.701 3.073 -11.381 197 HH2 TRP 95 HH2 TRP 95 -11.991 2.964 -9.596 198 H LEU 96 H LEU 96 -10.860 4.826 -15.500 199 HA LEU 96 HA LEU 96 -13.666 5.087 -14.969 200 HB2 LEU 96 HB2 LEU 96 -11.527 6.029 -13.692 201 HB3 LEU 96 HB3 LEU 96 -11.728 7.402 -14.776 202 HG LEU 96 HG LEU 96 -14.241 7.360 -13.935 203 HD11 LEU 96 HD11 LEU 96 -12.889 5.956 -11.595 204 HD12 LEU 96 HD12 LEU 96 -14.603 6.396 -11.782 205 HD13 LEU 96 HD13 LEU 96 -13.897 5.112 -12.778 206 HD21 LEU 96 HD21 LEU 96 -12.687 9.166 -13.367 207 HD22 LEU 96 HD22 LEU 96 -13.683 8.724 -11.969 208 HD23 LEU 96 HD23 LEU 96 -12.000 8.166 -12.065 209 H GLY 97 H GLY 97 -11.778 6.040 -17.687 210 HA2 GLY 97 HA2 GLY 97 -12.587 8.493 -18.524 211 HA3 GLY 97 HA3 GLY 97 -12.228 7.154 -19.619 212 H ASN 98 H ASN 98 -14.424 5.525 -19.215 213 HA ASN 98 HA ASN 98 -16.163 6.587 -21.168 214 HB2 ASN 98 HB2 ASN 98 -15.797 4.181 -20.809 215 HB3 ASN 98 HB3 ASN 98 -16.599 4.263 -19.239 216 HD21 ASN 98 HD22 ASN 98 -18.620 3.312 -19.418 217 HD22 ASN 98 HD21 ASN 98 -19.679 3.533 -20.795 218 H ASP 99 H ASP 99 -16.956 6.108 -17.680 219 HA ASP 99 HA ASP 99 -18.701 8.400 -17.499 220 HB2 ASP 99 HB2 ASP 99 -20.215 7.051 -18.850 221 HB3 ASP 99 HB3 ASP 99 -19.989 5.662 -17.795 222 HA PRO 100 HA PRO 100 -16.832 7.186 -13.415 223 HB2 PRO 100 HB2 PRO 100 -18.335 9.709 -12.804 224 HB3 PRO 100 HB3 PRO 100 -16.762 9.108 -12.170 225 HG2 PRO 100 HG2 PRO 100 -16.798 10.921 -14.183 226 HG3 PRO 100 HG3 PRO 100 -15.668 9.532 -14.246 227 HD2 PRO 100 HD2 PRO 100 -18.275 9.893 -15.708 228 HD3 PRO 100 HD3 PRO 100 -16.744 9.157 -16.271 229 H ALA 101 H ALA 101 -20.304 8.007 -13.899 230 HA ALA 101 HA ALA 101 -21.227 7.001 -11.426 231 HB1 ALA 101 HB1 ALA 101 -23.441 7.048 -12.501 232 HB2 ALA 101 HB2 ALA 101 -22.509 8.507 -12.907 233 HB3 ALA 101 HB3 ALA 101 -22.678 7.195 -14.097 234 H ALA 102 H ALA 102 -20.167 5.152 -14.219 235 HA ALA 102 HA ALA 102 -21.676 2.755 -13.709 236 HB1 ALA 102 HB1 ALA 102 -19.010 3.180 -15.115 237 HB2 ALA 102 HB2 ALA 102 -20.039 1.739 -15.240 238 HB3 ALA 102 HB3 ALA 102 -20.614 3.296 -15.870 239 H PHE 103 H PHE 103 -18.772 4.053 -12.232 240 HA PHE 103 HA PHE 103 -18.461 1.624 -10.527 241 HB2 PHE 103 HB2 PHE 103 -15.853 2.386 -10.978 242 HB3 PHE 103 HB3 PHE 103 -16.706 1.048 -11.711 243 HD1 PHE 103 HD1 PHE 103 -16.457 4.764 -12.358 244 HD2 PHE 103 HD2 PHE 103 -16.385 0.762 -13.973 245 HE1 PHE 103 HE1 PHE 103 -16.160 5.666 -14.643 246 HE2 PHE 103 HE2 PHE 103 -16.056 1.685 -16.246 247 HZ PHE 103 HZ PHE 103 -15.948 4.140 -16.584 248 H LEU 104 H LEU 104 -18.984 4.886 -10.378 249 HA LEU 104 HA LEU 104 -17.505 5.793 -8.161 250 HB2 LEU 104 HB2 LEU 104 -19.992 6.448 -9.569 251 HB3 LEU 104 HB3 LEU 104 -20.127 6.779 -7.849 252 HG LEU 104 HG LEU 104 -17.888 7.818 -9.615 253 HD11 LEU 104 HD11 LEU 104 -20.065 8.768 -10.279 254 HD12 LEU 104 HD12 LEU 104 -20.379 9.236 -8.591 255 HD13 LEU 104 HD13 LEU 104 -19.048 9.988 -9.505 256 HD21 LEU 104 HD21 LEU 104 -17.176 7.806 -7.280 257 HD22 LEU 104 HD22 LEU 104 -17.568 9.456 -7.711 258 HD23 LEU 104 HD23 LEU 104 -18.721 8.502 -6.751 259 H ILE 105 H ILE 105 -17.782 5.848 -6.003 260 HA ILE 105 HA ILE 105 -19.644 3.913 -4.676 261 HB ILE 105 HB ILE 105 -16.898 4.777 -3.693 262 HG12 ILE 105 HG12 ILE 105 -17.606 2.060 -4.878 263 HG13 ILE 105 HG13 ILE 105 -16.736 3.314 -5.762 264 HG21 ILE 105 HG21 ILE 105 -17.299 2.921 -2.047 265 HG22 ILE 105 HG22 ILE 105 -18.514 4.180 -1.922 266 HG23 ILE 105 HG23 ILE 105 -18.907 2.669 -2.773 267 HD11 ILE 105 HD11 ILE 105 -15.767 1.879 -3.277 268 HD12 ILE 105 HD12 ILE 105 -15.058 1.896 -4.894 269 HD13 ILE 105 HD13 ILE 105 -15.025 3.369 -3.906 270 H GLN 106 H GLN 106 -21.011 4.810 -3.285 271 HA GLN 106 HA GLN 106 -20.432 7.452 -2.024 272 HB2 GLN 106 HB2 GLN 106 -23.026 6.616 -3.385 273 HB3 GLN 106 HB3 GLN 106 -22.855 8.038 -2.342 274 HG2 GLN 106 HG2 GLN 106 -21.115 8.946 -3.885 275 HG3 GLN 106 HG3 GLN 106 -21.380 7.582 -4.971 276 HE21 GLN 106 HE22 GLN 106 -22.212 10.794 -4.574 277 HE22 GLN 106 HE21 GLN 106 -23.752 10.752 -5.419 278 HA PRO 107 HA PRO 107 -21.557 5.248 1.589 279 HB2 PRO 107 HB2 PRO 107 -21.873 7.212 3.444 280 HB3 PRO 107 HB3 PRO 107 -20.317 6.946 2.601 281 HG2 PRO 107 HG2 PRO 107 -22.493 8.937 1.872 282 HG3 PRO 107 HG3 PRO 107 -20.751 9.262 2.123 283 HD2 PRO 107 HD2 PRO 107 -21.780 8.837 -0.362 284 HD3 PRO 107 HD3 PRO 107 -20.167 8.212 0.098 285 H ASP 108 H ASP 108 -24.017 6.943 0.053 286 HA ASP 108 HA ASP 108 -26.229 7.349 0.335 287 HB2 ASP 108 HB2 ASP 108 -26.093 4.910 -0.167 288 HB3 ASP 108 HB3 ASP 108 -26.240 4.576 1.559 289 H LEU 109 H LEU 109 -24.687 8.474 2.389 290 HA LEU 109 HA LEU 109 -26.659 8.832 4.564 291 HB2 LEU 109 HB2 LEU 109 -24.931 7.030 5.155 292 HB3 LEU 109 HB3 LEU 109 -23.691 8.267 4.984 293 HG LEU 109 HG LEU 109 -24.934 9.562 6.840 294 HD11 LEU 109 HD11 LEU 109 -26.197 6.806 7.267 295 HD12 LEU 109 HD12 LEU 109 -26.356 8.220 8.332 296 HD13 LEU 109 HD13 LEU 109 -27.087 8.230 6.721 297 HD21 LEU 109 HD21 LEU 109 -23.727 6.836 7.477 298 HD22 LEU 109 HD22 LEU 109 -22.837 8.350 7.226 299 HD23 LEU 109 HD23 LEU 109 -23.916 8.188 8.619 300 HA PRO 110 HA PRO 110 -25.274 13.051 3.675 301 HB2 PRO 110 HB2 PRO 110 -26.225 14.413 5.865 302 HB3 PRO 110 HB3 PRO 110 -27.251 13.844 4.517 303 HG2 PRO 110 HG2 PRO 110 -26.773 12.502 7.190 304 HG3 PRO 110 HG3 PRO 110 -28.331 12.771 6.352 305 HD2 PRO 110 HD2 PRO 110 -27.033 10.392 6.220 306 HD3 PRO 110 HD3 PRO 110 -27.908 11.033 4.804 307 H ALA 111 H ALA 111 -23.460 14.217 4.041 308 HA ALA 111 HA ALA 111 -21.845 13.971 6.500 309 HB1 ALA 111 HB1 ALA 111 -20.960 12.962 3.753 310 HB2 ALA 111 HB2 ALA 111 -19.920 13.056 5.197 311 HB3 ALA 111 HB3 ALA 111 -21.300 11.947 5.172 312 H ILE 112 H ILE 112 -19.759 15.236 6.233 313 HA ILE 112 HA ILE 112 -20.326 17.841 5.003 314 HB ILE 112 HB ILE 112 -19.718 17.515 7.389 315 HG12 ILE 112 HG12 ILE 112 -19.795 19.698 6.540 316 HG13 ILE 112 HG13 ILE 112 -18.455 19.522 7.663 317 HG21 ILE 112 HG21 ILE 112 -17.481 17.382 8.165 318 HG22 ILE 112 HG22 ILE 112 -17.828 15.939 7.191 319 HG23 ILE 112 HG23 ILE 112 -16.826 17.247 6.532 320 HD11 ILE 112 HD11 ILE 112 -17.785 20.966 5.854 321 HD12 ILE 112 HD12 ILE 112 -16.868 19.458 5.724 322 HD13 ILE 112 HD13 ILE 112 -18.248 19.767 4.637 323 H LEU 113 H LEU 113 -20.243 16.460 3.112 324 HA LEU 113 HA LEU 113 -17.602 16.631 1.681 325 HB2 LEU 113 HB2 LEU 113 -19.754 14.490 1.473 326 HB3 LEU 113 HB3 LEU 113 -18.320 14.569 0.459 327 HG LEU 113 HG LEU 113 -18.298 14.134 3.477 328 HD11 LEU 113 HD11 LEU 113 -17.766 12.203 1.178 329 HD12 LEU 113 HD12 LEU 113 -17.650 11.836 2.912 330 HD13 LEU 113 HD13 LEU 113 -19.220 12.227 2.193 331 HD21 LEU 113 HD21 LEU 113 -15.916 13.528 3.137 332 HD22 LEU 113 HD22 LEU 113 -16.028 14.013 1.430 333 HD23 LEU 113 HD23 LEU 113 -16.205 15.219 2.723 334 H GLU 114 H GLU 114 -20.423 18.176 1.763 335 HA GLU 114 HA GLU 114 -20.391 18.946 -1.085 336 HB2 GLU 114 HB2 GLU 114 -21.974 17.163 -1.036 337 HB3 GLU 114 HB3 GLU 114 -22.879 17.918 0.291 338 HG2 GLU 114 HG2 GLU 114 -23.432 19.831 -1.200 339 HG3 GLU 114 HG3 GLU 114 -22.463 19.109 -2.491 Start of MODEL 6 1 H1 MET 71 H1 MET 71 -8.304 3.396 10.052 2 H2 MET 71 H2 MET 71 -9.630 3.069 9.157 3 H3 MET 71 H3 MET 71 -8.570 1.875 9.520 4 HA MET 71 HA MET 71 -6.837 2.917 8.210 5 HB2 MET 71 HB2 MET 71 -8.350 1.219 7.165 6 HB3 MET 71 HB3 MET 71 -9.399 2.513 6.587 7 HG2 MET 71 HG2 MET 71 -7.533 3.402 5.222 8 HG3 MET 71 HG3 MET 71 -6.460 2.147 5.848 9 HE1 MET 71 HE1 MET 71 -7.045 2.908 2.746 10 HE2 MET 71 HE2 MET 71 -5.836 1.704 3.256 11 HE3 MET 71 HE3 MET 71 -7.042 1.287 2.024 12 H SER 72 H SER 72 -5.970 4.791 7.419 13 HA SER 72 HA SER 72 -7.214 7.252 8.051 14 HB2 SER 72 HB2 SER 72 -4.793 6.774 6.278 15 HB3 SER 72 HB3 SER 72 -5.199 8.266 7.156 16 HG SER 72 HG SER 72 -3.664 6.988 8.315 17 H THR 73 H THR 73 -7.443 5.500 5.057 18 HA THR 73 HA THR 73 -8.754 7.800 3.649 19 HB THR 73 HB THR 73 -7.726 7.312 1.648 20 HG1 THR 73 HG1 THR 73 -5.984 5.806 1.512 21 HG21 THR 73 HG21 THR 73 -5.482 7.571 3.691 22 HG22 THR 73 HG22 THR 73 -5.453 8.095 1.994 23 HG23 THR 73 HG23 THR 73 -6.527 8.901 3.145 24 H VAL 74 H VAL 74 -10.020 7.083 1.737 25 HA VAL 74 HA VAL 74 -10.939 4.286 1.746 26 HB VAL 74 HB VAL 74 -12.340 5.328 3.392 27 HG11 VAL 74 HG11 VAL 74 -13.343 7.267 1.262 28 HG12 VAL 74 HG12 VAL 74 -13.934 7.124 2.926 29 HG13 VAL 74 HG13 VAL 74 -12.295 7.704 2.629 30 HG21 VAL 74 HG21 VAL 74 -13.949 4.753 0.894 31 HG22 VAL 74 HG22 VAL 74 -13.428 3.596 2.152 32 HG23 VAL 74 HG23 VAL 74 -14.587 4.860 2.546 33 HA PRO 75 HA PRO 75 -11.038 5.230 -2.654 34 HB2 PRO 75 HB2 PRO 75 -12.410 3.074 -3.621 35 HB3 PRO 75 HB3 PRO 75 -10.736 2.983 -3.001 36 HG2 PRO 75 HG2 PRO 75 -13.292 2.365 -1.488 37 HG3 PRO 75 HG3 PRO 75 -11.823 1.346 -1.643 38 HD2 PRO 75 HD2 PRO 75 -12.198 2.931 0.524 39 HD3 PRO 75 HD3 PRO 75 -10.580 2.776 -0.213 40 H LYS 76 H LYS 76 -12.454 5.667 -4.362 41 HA LYS 76 HA LYS 76 -15.262 6.458 -3.655 42 HB2 LYS 76 HB2 LYS 76 -13.710 8.322 -3.716 43 HB3 LYS 76 HB3 LYS 76 -13.376 8.040 -5.438 44 HG2 LYS 76 HG2 LYS 76 -15.755 8.445 -5.965 45 HG3 LYS 76 HG3 LYS 76 -16.136 8.630 -4.252 46 HD2 LYS 76 HD2 LYS 76 -14.237 10.409 -5.848 47 HD3 LYS 76 HD3 LYS 76 -15.916 10.796 -5.527 48 HE2 LYS 76 HE2 LYS 76 -13.769 10.437 -3.366 49 HE3 LYS 76 HE3 LYS 76 -14.246 11.977 -4.066 50 HZ1 LYS 76 HZ1 LYS 76 -16.509 11.619 -3.207 51 HZ2 LYS 76 HZ2 LYS 76 -16.070 10.199 -2.513 52 HZ3 LYS 76 HZ3 LYS 76 -15.422 11.602 -1.996 53 H TYR 77 H TYR 77 -13.180 4.865 -5.983 54 HA TYR 77 HA TYR 77 -15.595 3.972 -7.507 55 HB2 TYR 77 HB2 TYR 77 -12.958 4.850 -8.734 56 HB3 TYR 77 HB3 TYR 77 -14.351 4.239 -9.600 57 HD1 TYR 77 HD2 TYR 77 -13.043 7.104 -7.612 58 HD2 TYR 77 HD1 TYR 77 -16.125 5.726 -10.294 59 HE1 TYR 77 HE2 TYR 77 -13.789 9.446 -7.967 60 HE2 TYR 77 HE1 TYR 77 -16.843 8.070 -10.663 61 HH TYR 77 HH TYR 77 -15.271 10.858 -9.068 62 H ARG 78 H ARG 78 -15.449 1.867 -8.311 63 HA ARG 78 HA ARG 78 -12.923 0.336 -7.997 64 HB2 ARG 78 HB2 ARG 78 -14.099 0.036 -5.863 65 HB3 ARG 78 HB3 ARG 78 -15.548 -0.516 -6.710 66 HG2 ARG 78 HG2 ARG 78 -14.302 -2.495 -7.567 67 HG3 ARG 78 HG3 ARG 78 -12.814 -1.878 -6.840 68 HD2 ARG 78 HD2 ARG 78 -13.691 -3.607 -5.424 69 HD3 ARG 78 HD3 ARG 78 -13.859 -2.049 -4.588 70 HE ARG 78 HE ARG 78 -16.255 -2.751 -6.085 71 HH11 ARG 78 HH11 ARG 78 -14.649 -3.557 -3.074 72 HH12 ARG 78 HH12 ARG 78 -16.139 -4.015 -2.299 73 HH21 ARG 78 HH21 ARG 78 -18.122 -3.331 -5.024 74 HH22 ARG 78 HH22 ARG 78 -18.048 -3.909 -3.387 75 H ASP 79 H ASP 79 -12.569 -0.393 -9.951 76 HA ASP 79 HA ASP 79 -14.421 -0.743 -12.073 77 HB2 ASP 79 HB2 ASP 79 -12.067 -0.390 -12.449 78 HB3 ASP 79 HB3 ASP 79 -11.646 -1.849 -11.573 79 HA PRO 80 HA PRO 80 -15.965 -4.709 -10.426 80 HB2 PRO 80 HB2 PRO 80 -17.981 -5.222 -12.208 81 HB3 PRO 80 HB3 PRO 80 -18.097 -3.987 -10.917 82 HG2 PRO 80 HG2 PRO 80 -17.329 -3.570 -13.824 83 HG3 PRO 80 HG3 PRO 80 -18.544 -2.663 -12.857 84 HD2 PRO 80 HD2 PRO 80 -16.016 -1.725 -13.210 85 HD3 PRO 80 HD3 PRO 80 -16.854 -1.541 -11.637 86 H ALA 81 H ALA 81 -14.617 -4.218 -13.627 87 HA ALA 81 HA ALA 81 -14.721 -6.990 -14.474 88 HB1 ALA 81 HB1 ALA 81 -13.394 -6.149 -16.365 89 HB2 ALA 81 HB2 ALA 81 -14.769 -5.072 -16.022 90 HB3 ALA 81 HB3 ALA 81 -13.131 -4.612 -15.521 91 H THR 82 H THR 82 -12.209 -4.976 -12.931 92 HA THR 82 HA THR 82 -10.419 -7.381 -12.651 93 HB THR 82 HB THR 82 -8.549 -6.041 -12.950 94 HG1 THR 82 HG1 THR 82 -10.383 -3.910 -13.430 95 HG21 THR 82 HG21 THR 82 -10.459 -5.511 -15.244 96 HG22 THR 82 HG22 THR 82 -8.690 -5.698 -15.306 97 HG23 THR 82 HG23 THR 82 -9.722 -7.083 -14.859 98 H GLY 83 H GLY 83 -11.976 -4.860 -10.819 99 HA2 GLY 83 HA2 GLY 83 -12.030 -4.702 -8.509 100 HA3 GLY 83 HA3 GLY 83 -10.612 -5.733 -8.364 101 H LYS 84 H LYS 84 -9.856 -3.302 -10.572 102 HA LYS 84 HA LYS 84 -8.018 -1.853 -8.914 103 HB2 LYS 84 HB2 LYS 84 -9.260 -1.254 -11.628 104 HB3 LYS 84 HB3 LYS 84 -8.013 -0.247 -10.871 105 HG2 LYS 84 HG2 LYS 84 -6.476 -2.140 -10.734 106 HG3 LYS 84 HG3 LYS 84 -7.685 -3.233 -11.417 107 HD2 LYS 84 HD2 LYS 84 -7.723 -1.854 -13.515 108 HD3 LYS 84 HD3 LYS 84 -6.423 -0.844 -12.837 109 HE2 LYS 84 HE2 LYS 84 -4.985 -2.877 -12.626 110 HE3 LYS 84 HE3 LYS 84 -6.288 -3.862 -13.301 111 HZ1 LYS 84 HZ1 LYS 84 -4.665 -3.250 -15.014 112 HZ2 LYS 84 HZ2 LYS 84 -6.104 -2.568 -15.374 113 HZ3 LYS 84 HZ3 LYS 84 -4.895 -1.655 -14.748 114 H THR 85 H THR 85 -8.071 0.235 -8.068 115 HA THR 85 HA THR 85 -10.751 1.516 -7.728 116 HB THR 85 HB THR 85 -10.129 1.956 -5.338 117 HG1 THR 85 HG1 THR 85 -8.504 0.628 -4.439 118 HG21 THR 85 HG21 THR 85 -11.696 0.149 -5.886 119 HG22 THR 85 HG22 THR 85 -10.343 -0.996 -6.040 120 HG23 THR 85 HG23 THR 85 -10.714 -0.248 -4.470 121 H TRP 86 H TRP 86 -10.791 3.673 -6.930 122 HA TRP 86 HA TRP 86 -8.335 5.266 -6.816 123 HB2 TRP 86 HB2 TRP 86 -8.974 5.228 -9.268 124 HB3 TRP 86 HB3 TRP 86 -10.511 5.950 -8.813 125 HD1 TRP 86 HD1 TRP 86 -6.743 6.782 -8.363 126 HE1 TRP 86 HE1 TRP 86 -6.412 9.317 -8.511 127 HE3 TRP 86 HE3 TRP 86 -11.595 8.209 -9.112 128 HZ2 TRP 86 HZ2 TRP 86 -8.021 11.656 -9.024 129 HZ3 TRP 86 HZ3 TRP 86 -12.185 10.599 -9.354 130 HH2 TRP 86 HH2 TRP 86 -10.430 12.326 -9.267 131 H SER 87 H SER 87 -8.846 7.503 -5.978 132 HA SER 87 HA SER 87 -11.343 7.484 -4.295 133 HB2 SER 87 HB2 SER 87 -9.885 8.144 -2.414 134 HB3 SER 87 HB3 SER 87 -9.360 6.601 -3.122 135 HG SER 87 HG SER 87 -7.578 8.030 -2.797 136 H GLY 88 H GLY 88 -9.644 9.560 -6.428 137 HA2 GLY 88 HA2 GLY 88 -10.802 11.736 -6.779 138 HA3 GLY 88 HA3 GLY 88 -10.811 11.976 -5.050 139 H ARG 89 H ARG 89 -7.813 10.664 -5.704 140 HA ARG 89 HA ARG 89 -6.481 13.311 -6.107 141 HB2 ARG 89 HB2 ARG 89 -6.796 12.736 -3.686 142 HB3 ARG 89 HB3 ARG 89 -5.848 11.266 -3.926 143 HG2 ARG 89 HG2 ARG 89 -3.861 12.611 -4.490 144 HG3 ARG 89 HG3 ARG 89 -4.820 14.107 -4.384 145 HD2 ARG 89 HD2 ARG 89 -5.254 13.655 -1.993 146 HD3 ARG 89 HD3 ARG 89 -4.317 12.151 -2.102 147 HE ARG 89 HE ARG 89 -2.674 14.292 -3.012 148 HH11 ARG 89 HH11 ARG 89 -4.048 13.227 0.031 149 HH12 ARG 89 HH12 ARG 89 -2.777 13.964 0.967 150 HH21 ARG 89 HH21 ARG 89 -1.078 15.206 -1.757 151 HH22 ARG 89 HH22 ARG 89 -1.138 15.052 -0.026 152 H GLY 90 H GLY 90 -4.383 13.275 -6.938 153 HA2 GLY 90 HA2 GLY 90 -2.634 12.521 -8.266 154 HA3 GLY 90 HA3 GLY 90 -3.021 10.859 -7.833 155 H ARG 91 H ARG 91 -2.313 10.919 -10.283 156 HA ARG 91 HA ARG 91 -4.136 11.733 -12.324 157 HB2 ARG 91 HB2 ARG 91 -1.859 11.283 -12.758 158 HB3 ARG 91 HB3 ARG 91 -2.034 9.564 -12.320 159 HG2 ARG 91 HG2 ARG 91 -3.503 9.204 -14.264 160 HG3 ARG 91 HG3 ARG 91 -3.485 10.937 -14.626 161 HD2 ARG 91 HD2 ARG 91 -1.996 9.763 -16.136 162 HD3 ARG 91 HD3 ARG 91 -1.064 10.827 -15.093 163 HE ARG 91 HE ARG 91 -1.278 7.835 -14.869 164 HH11 ARG 91 HH11 ARG 91 0.614 10.707 -14.147 165 HH12 ARG 91 HH12 ARG 91 1.945 9.776 -13.517 166 HH21 ARG 91 HH21 ARG 91 0.450 6.724 -14.058 167 HH22 ARG 91 HH22 ARG 91 1.851 7.572 -13.483 168 H GLN 92 H GLN 92 -6.014 11.004 -12.927 169 HA GLN 92 HA GLN 92 -7.355 8.797 -11.663 170 HB2 GLN 92 HB2 GLN 92 -8.368 10.967 -12.376 171 HB3 GLN 92 HB3 GLN 92 -8.168 10.487 -14.070 172 HG2 GLN 92 HG2 GLN 92 -9.651 8.536 -13.668 173 HG3 GLN 92 HG3 GLN 92 -9.805 9.015 -11.967 174 HE21 GLN 92 HE22 GLN 92 -11.116 10.874 -11.430 175 HE22 GLN 92 HE21 GLN 92 -12.171 11.607 -12.634 176 HA PRO 93 HA PRO 93 -5.861 5.780 -14.626 177 HB2 PRO 93 HB2 PRO 93 -7.249 3.551 -13.911 178 HB3 PRO 93 HB3 PRO 93 -5.982 4.285 -12.886 179 HG2 PRO 93 HG2 PRO 93 -8.981 4.687 -12.675 180 HG3 PRO 93 HG3 PRO 93 -7.828 4.277 -11.365 181 HD2 PRO 93 HD2 PRO 93 -8.631 6.838 -11.815 182 HD3 PRO 93 HD3 PRO 93 -6.951 6.469 -11.324 183 H ALA 94 H ALA 94 -6.404 4.531 -16.466 184 HA ALA 94 HA ALA 94 -8.087 5.905 -18.211 185 HB1 ALA 94 HB1 ALA 94 -6.854 3.135 -18.512 186 HB2 ALA 94 HB2 ALA 94 -7.437 4.169 -19.836 187 HB3 ALA 94 HB3 ALA 94 -6.057 4.689 -18.852 188 H TRP 95 H TRP 95 -8.889 2.825 -16.538 189 HA TRP 95 HA TRP 95 -11.286 2.231 -18.003 190 HB2 TRP 95 HB2 TRP 95 -11.920 0.931 -15.969 191 HB3 TRP 95 HB3 TRP 95 -10.324 0.546 -16.595 192 HD1 TRP 95 HD1 TRP 95 -8.258 1.028 -15.074 193 HE1 TRP 95 HE1 TRP 95 -7.982 1.520 -12.573 194 HE3 TRP 95 HE3 TRP 95 -13.168 2.070 -13.867 195 HZ2 TRP 95 HZ2 TRP 95 -9.629 2.255 -10.360 196 HZ3 TRP 95 HZ3 TRP 95 -13.760 2.597 -11.532 197 HH2 TRP 95 HH2 TRP 95 -12.020 2.688 -9.778 198 H LEU 96 H LEU 96 -10.648 4.512 -15.420 199 HA LEU 96 HA LEU 96 -13.376 4.746 -14.546 200 HB2 LEU 96 HB2 LEU 96 -11.138 4.920 -13.308 201 HB3 LEU 96 HB3 LEU 96 -11.056 6.585 -13.874 202 HG LEU 96 HG LEU 96 -13.328 5.398 -12.204 203 HD11 LEU 96 HD11 LEU 96 -11.153 5.310 -11.059 204 HD12 LEU 96 HD12 LEU 96 -10.913 7.044 -11.368 205 HD13 LEU 96 HD13 LEU 96 -12.246 6.484 -10.333 206 HD21 LEU 96 HD21 LEU 96 -12.582 8.278 -12.897 207 HD22 LEU 96 HD22 LEU 96 -14.098 7.441 -13.276 208 HD23 LEU 96 HD23 LEU 96 -13.708 7.831 -11.607 209 H GLY 97 H GLY 97 -11.191 6.825 -16.447 210 HA2 GLY 97 HA2 GLY 97 -12.643 9.179 -16.682 211 HA3 GLY 97 HA3 GLY 97 -11.560 8.515 -17.923 212 H ASN 98 H ASN 98 -13.154 6.236 -18.518 213 HA ASN 98 HA ASN 98 -14.601 7.178 -20.727 214 HB2 ASN 98 HB2 ASN 98 -13.662 4.906 -20.506 215 HB3 ASN 98 HB3 ASN 98 -14.858 4.514 -19.262 216 HD21 ASN 98 HD22 ASN 98 -16.527 3.290 -20.093 217 HD22 ASN 98 HD21 ASN 98 -17.151 3.458 -21.724 218 H ASP 99 H ASP 99 -15.995 6.128 -17.579 219 HA ASP 99 HA ASP 99 -18.270 7.886 -17.871 220 HB2 ASP 99 HB2 ASP 99 -19.030 6.056 -19.344 221 HB3 ASP 99 HB3 ASP 99 -18.815 4.896 -18.036 222 HA PRO 100 HA PRO 100 -16.318 7.026 -13.766 223 HB2 PRO 100 HB2 PRO 100 -17.664 9.648 -13.201 224 HB3 PRO 100 HB3 PRO 100 -16.062 9.026 -12.672 225 HG2 PRO 100 HG2 PRO 100 -16.237 10.737 -14.772 226 HG3 PRO 100 HG3 PRO 100 -15.120 9.339 -14.816 227 HD2 PRO 100 HD2 PRO 100 -17.814 9.634 -16.139 228 HD3 PRO 100 HD3 PRO 100 -16.329 8.847 -16.742 229 H ALA 101 H ALA 101 -19.744 8.098 -14.048 230 HA ALA 101 HA ALA 101 -20.491 7.317 -11.431 231 HB1 ALA 101 HB1 ALA 101 -21.696 8.963 -12.791 232 HB2 ALA 101 HB2 ALA 101 -22.202 7.679 -13.921 233 HB3 ALA 101 HB3 ALA 101 -22.780 7.675 -12.237 234 H ALA 102 H ALA 102 -19.978 5.241 -14.197 235 HA ALA 102 HA ALA 102 -21.962 3.258 -13.707 236 HB1 ALA 102 HB1 ALA 102 -20.736 3.534 -15.826 237 HB2 ALA 102 HB2 ALA 102 -19.230 3.031 -15.032 238 HB3 ALA 102 HB3 ALA 102 -20.570 1.881 -15.210 239 H PHE 103 H PHE 103 -18.786 3.693 -12.252 240 HA PHE 103 HA PHE 103 -19.164 1.324 -10.468 241 HB2 PHE 103 HB2 PHE 103 -16.568 1.104 -10.878 242 HB3 PHE 103 HB3 PHE 103 -17.727 0.468 -12.033 243 HD1 PHE 103 HD1 PHE 103 -16.119 3.803 -11.383 244 HD2 PHE 103 HD2 PHE 103 -17.158 0.776 -14.272 245 HE1 PHE 103 HE1 PHE 103 -15.350 5.279 -13.196 246 HE2 PHE 103 HE2 PHE 103 -16.322 2.245 -16.096 247 HZ PHE 103 HZ PHE 103 -15.476 4.509 -15.573 248 H LEU 104 H LEU 104 -19.496 4.332 -10.096 249 HA LEU 104 HA LEU 104 -17.536 5.102 -8.083 250 HB2 LEU 104 HB2 LEU 104 -19.058 6.536 -9.645 251 HB3 LEU 104 HB3 LEU 104 -20.300 6.306 -8.423 252 HG LEU 104 HG LEU 104 -17.528 7.479 -7.919 253 HD11 LEU 104 HD11 LEU 104 -18.617 9.678 -7.947 254 HD12 LEU 104 HD12 LEU 104 -18.856 8.866 -9.498 255 HD13 LEU 104 HD13 LEU 104 -20.185 8.919 -8.320 256 HD21 LEU 104 HD21 LEU 104 -18.502 6.728 -5.816 257 HD22 LEU 104 HD22 LEU 104 -18.532 8.475 -5.887 258 HD23 LEU 104 HD23 LEU 104 -20.031 7.562 -6.191 259 H ILE 105 H ILE 105 -17.540 4.532 -5.991 260 HA ILE 105 HA ILE 105 -19.367 2.501 -4.977 261 HB ILE 105 HB ILE 105 -17.158 4.065 -3.570 262 HG12 ILE 105 HG12 ILE 105 -16.980 1.238 -4.715 263 HG13 ILE 105 HG13 ILE 105 -16.403 2.669 -5.566 264 HG21 ILE 105 HG21 ILE 105 -18.772 3.049 -1.966 265 HG22 ILE 105 HG22 ILE 105 -18.586 1.478 -2.771 266 HG23 ILE 105 HG23 ILE 105 -17.231 2.223 -1.898 267 HD11 ILE 105 HD11 ILE 105 -15.335 1.586 -2.949 268 HD12 ILE 105 HD12 ILE 105 -14.487 1.807 -4.485 269 HD13 ILE 105 HD13 ILE 105 -14.979 3.226 -3.547 270 H GLN 106 H GLN 106 -21.225 2.843 -3.910 271 HA GLN 106 HA GLN 106 -21.595 5.228 -2.186 272 HB2 GLN 106 HB2 GLN 106 -23.580 4.231 -4.273 273 HB3 GLN 106 HB3 GLN 106 -23.996 5.373 -3.006 274 HG2 GLN 106 HG2 GLN 106 -21.893 5.907 -5.161 275 HG3 GLN 106 HG3 GLN 106 -23.572 6.394 -5.253 276 HE21 GLN 106 HE22 GLN 106 -20.519 7.004 -3.460 277 HE22 GLN 106 HE21 GLN 106 -21.061 8.570 -2.856 278 HA PRO 107 HA PRO 107 -22.611 2.154 0.629 279 HB2 PRO 107 HB2 PRO 107 -24.250 3.342 2.501 280 HB3 PRO 107 HB3 PRO 107 -22.533 3.779 2.249 281 HG2 PRO 107 HG2 PRO 107 -24.985 5.141 1.088 282 HG3 PRO 107 HG3 PRO 107 -23.594 5.898 1.926 283 HD2 PRO 107 HD2 PRO 107 -23.734 5.810 -0.777 284 HD3 PRO 107 HD3 PRO 107 -22.177 5.570 0.064 285 H ASP 108 H ASP 108 -25.387 3.354 -0.971 286 HA ASP 108 HA ASP 108 -26.640 0.913 -1.279 287 HB2 ASP 108 HB2 ASP 108 -27.322 1.153 1.144 288 HB3 ASP 108 HB3 ASP 108 -28.118 2.665 0.740 289 H LEU 109 H LEU 109 -27.226 4.369 -1.013 290 HA LEU 109 HA LEU 109 -28.311 4.518 -3.721 291 HB2 LEU 109 HB2 LEU 109 -29.567 5.626 -1.172 292 HB3 LEU 109 HB3 LEU 109 -29.960 6.298 -2.741 293 HG LEU 109 HG LEU 109 -30.460 3.401 -1.949 294 HD11 LEU 109 HD11 LEU 109 -31.859 5.015 -0.707 295 HD12 LEU 109 HD12 LEU 109 -32.383 5.744 -2.240 296 HD13 LEU 109 HD13 LEU 109 -32.815 4.062 -1.848 297 HD21 LEU 109 HD21 LEU 109 -31.899 3.384 -3.982 298 HD22 LEU 109 HD22 LEU 109 -31.313 5.007 -4.407 299 HD23 LEU 109 HD23 LEU 109 -30.203 3.615 -4.389 300 HA PRO 110 HA PRO 110 -25.650 7.999 -4.320 301 HB2 PRO 110 HB2 PRO 110 -28.020 9.698 -4.985 302 HB3 PRO 110 HB3 PRO 110 -26.463 9.489 -5.853 303 HG2 PRO 110 HG2 PRO 110 -28.702 8.217 -6.734 304 HG3 PRO 110 HG3 PRO 110 -27.119 7.374 -6.720 305 HD2 PRO 110 HD2 PRO 110 -29.383 7.160 -4.744 306 HD3 PRO 110 HD3 PRO 110 -28.354 5.862 -5.430 307 H ALA 111 H ALA 111 -24.697 9.484 -3.010 308 HA ALA 111 HA ALA 111 -25.986 10.459 -0.618 309 HB1 ALA 111 HB1 ALA 111 -23.247 11.091 -1.823 310 HB2 ALA 111 HB2 ALA 111 -23.744 11.379 -0.140 311 HB3 ALA 111 HB3 ALA 111 -23.602 9.722 -0.743 312 H ILE 112 H ILE 112 -27.337 11.348 -2.837 313 HA ILE 112 HA ILE 112 -27.409 14.267 -2.440 314 HB ILE 112 HB ILE 112 -27.675 14.653 -4.935 315 HG12 ILE 112 HG12 ILE 112 -26.267 11.971 -5.270 316 HG13 ILE 112 HG13 ILE 112 -28.011 12.162 -5.492 317 HG21 ILE 112 HG21 ILE 112 -24.921 13.623 -4.182 318 HG22 ILE 112 HG22 ILE 112 -25.325 14.889 -5.358 319 HG23 ILE 112 HG23 ILE 112 -25.586 15.179 -3.634 320 HD11 ILE 112 HD11 ILE 112 -25.835 13.528 -7.132 321 HD12 ILE 112 HD12 ILE 112 -26.922 12.230 -7.652 322 HD13 ILE 112 HD13 ILE 112 -27.582 13.839 -7.294 323 H LEU 113 H LEU 113 -28.883 12.860 -1.183 324 HA LEU 113 HA LEU 113 -31.605 12.819 -2.424 325 HB2 LEU 113 HB2 LEU 113 -30.386 10.617 -2.451 326 HB3 LEU 113 HB3 LEU 113 -30.345 10.650 -0.692 327 HG LEU 113 HG LEU 113 -32.796 10.410 -0.607 328 HD11 LEU 113 HD11 LEU 113 -32.655 10.423 -3.653 329 HD12 LEU 113 HD12 LEU 113 -34.083 9.968 -2.694 330 HD13 LEU 113 HD13 LEU 113 -33.484 11.625 -2.642 331 HD21 LEU 113 HD21 LEU 113 -31.383 8.400 -0.772 332 HD22 LEU 113 HD22 LEU 113 -32.965 8.163 -1.536 333 HD23 LEU 113 HD23 LEU 113 -31.526 8.443 -2.543 334 H GLU 114 H GLU 114 -29.893 14.235 -0.078 335 HA GLU 114 HA GLU 114 -30.098 14.942 2.080 336 HB2 GLU 114 HB2 GLU 114 -31.094 16.564 0.613 337 HB3 GLU 114 HB3 GLU 114 -32.711 15.951 0.989 338 HG2 GLU 114 HG2 GLU 114 -32.322 16.551 3.397 339 HG3 GLU 114 HG3 GLU 114 -30.692 17.087 2.991 Start of MODEL 7 1 H1 MET 71 H1 MET 71 -9.142 2.989 8.953 2 H2 MET 71 H2 MET 71 -9.163 2.705 7.346 3 H3 MET 71 H3 MET 71 -8.067 1.948 8.302 4 HA MET 71 HA MET 71 -7.015 4.036 8.869 5 HB2 MET 71 HB2 MET 71 -5.769 4.397 6.877 6 HB3 MET 71 HB3 MET 71 -6.122 2.686 6.980 7 HG2 MET 71 HG2 MET 71 -7.965 3.000 5.291 8 HG3 MET 71 HG3 MET 71 -7.512 4.708 5.176 9 HE1 MET 71 HE1 MET 71 -7.786 2.888 2.638 10 HE2 MET 71 HE2 MET 71 -7.254 4.584 2.573 11 HE3 MET 71 HE3 MET 71 -6.320 3.328 1.729 12 H SER 72 H SER 72 -6.570 6.336 7.760 13 HA SER 72 HA SER 72 -8.848 7.894 8.505 14 HB2 SER 72 HB2 SER 72 -7.357 9.806 7.923 15 HB3 SER 72 HB3 SER 72 -6.617 8.610 9.003 16 HG SER 72 HG SER 72 -5.195 9.223 7.288 17 H THR 73 H THR 73 -8.047 6.676 5.367 18 HA THR 73 HA THR 73 -10.055 8.477 4.050 19 HB THR 73 HB THR 73 -8.801 8.623 2.130 20 HG1 THR 73 HG1 THR 73 -6.653 7.820 2.014 21 HG21 THR 73 HG21 THR 73 -6.976 10.077 2.776 22 HG22 THR 73 HG22 THR 73 -8.333 10.325 3.889 23 HG23 THR 73 HG23 THR 73 -6.923 9.374 4.405 24 H VAL 74 H VAL 74 -10.836 7.618 1.951 25 HA VAL 74 HA VAL 74 -10.931 4.655 1.743 26 HB VAL 74 HB VAL 74 -13.417 4.762 1.431 27 HG11 VAL 74 HG11 VAL 74 -12.515 5.620 4.204 28 HG12 VAL 74 HG12 VAL 74 -13.991 4.735 3.777 29 HG13 VAL 74 HG13 VAL 74 -12.409 3.973 3.547 30 HG21 VAL 74 HG21 VAL 74 -14.716 6.605 2.351 31 HG22 VAL 74 HG22 VAL 74 -13.246 7.529 2.703 32 HG23 VAL 74 HG23 VAL 74 -13.715 7.184 1.021 33 HA PRO 75 HA PRO 75 -11.015 5.554 -2.668 34 HB2 PRO 75 HB2 PRO 75 -12.226 3.340 -3.706 35 HB3 PRO 75 HB3 PRO 75 -10.572 3.332 -3.035 36 HG2 PRO 75 HG2 PRO 75 -13.142 2.544 -1.627 37 HG3 PRO 75 HG3 PRO 75 -11.604 1.620 -1.728 38 HD2 PRO 75 HD2 PRO 75 -12.222 3.161 0.424 39 HD3 PRO 75 HD3 PRO 75 -10.544 3.072 -0.189 40 H LYS 76 H LYS 76 -12.438 5.835 -4.433 41 HA LYS 76 HA LYS 76 -15.257 6.623 -3.743 42 HB2 LYS 76 HB2 LYS 76 -13.789 8.524 -3.901 43 HB3 LYS 76 HB3 LYS 76 -13.371 8.125 -5.579 44 HG2 LYS 76 HG2 LYS 76 -15.700 8.473 -6.266 45 HG3 LYS 76 HG3 LYS 76 -16.192 8.735 -4.582 46 HD2 LYS 76 HD2 LYS 76 -14.874 10.758 -4.422 47 HD3 LYS 76 HD3 LYS 76 -14.119 10.471 -6.001 48 HE2 LYS 76 HE2 LYS 76 -16.308 10.710 -7.125 49 HE3 LYS 76 HE3 LYS 76 -17.107 10.926 -5.560 50 HZ1 LYS 76 HZ1 LYS 76 -15.076 12.786 -6.715 51 HZ2 LYS 76 HZ2 LYS 76 -16.676 13.069 -6.631 52 HZ3 LYS 76 HZ3 LYS 76 -15.802 12.983 -5.258 53 H TYR 77 H TYR 77 -13.183 4.942 -6.027 54 HA TYR 77 HA TYR 77 -15.598 4.021 -7.528 55 HB2 TYR 77 HB2 TYR 77 -12.969 4.851 -8.797 56 HB3 TYR 77 HB3 TYR 77 -14.404 4.284 -9.628 57 HD1 TYR 77 HD1 TYR 77 -12.900 7.106 -7.752 58 HD2 TYR 77 HD2 TYR 77 -16.195 5.839 -10.233 59 HE1 TYR 77 HE1 TYR 77 -13.566 9.483 -8.102 60 HE2 TYR 77 HE2 TYR 77 -16.849 8.195 -10.569 61 HH TYR 77 HH TYR 77 -16.363 10.425 -10.116 62 H ARG 78 H ARG 78 -15.449 1.900 -8.310 63 HA ARG 78 HA ARG 78 -12.867 0.507 -8.139 64 HB2 ARG 78 HB2 ARG 78 -13.992 0.134 -5.923 65 HB3 ARG 78 HB3 ARG 78 -15.309 -0.700 -6.766 66 HG2 ARG 78 HG2 ARG 78 -13.729 -2.395 -7.621 67 HG3 ARG 78 HG3 ARG 78 -12.368 -1.458 -6.998 68 HD2 ARG 78 HD2 ARG 78 -13.409 -1.787 -4.659 69 HD3 ARG 78 HD3 ARG 78 -14.436 -3.019 -5.434 70 HE ARG 78 HE ARG 78 -11.592 -3.335 -6.050 71 HH11 ARG 78 HH11 ARG 78 -13.902 -4.098 -3.513 72 HH12 ARG 78 HH12 ARG 78 -12.910 -5.390 -2.888 73 HH21 ARG 78 HH21 ARG 78 -10.403 -4.964 -5.215 74 HH22 ARG 78 HH22 ARG 78 -10.971 -5.868 -3.837 75 H ASP 79 H ASP 79 -12.521 -0.432 -9.962 76 HA ASP 79 HA ASP 79 -14.340 -0.732 -12.120 77 HB2 ASP 79 HB2 ASP 79 -12.004 -0.495 -12.520 78 HB3 ASP 79 HB3 ASP 79 -11.605 -1.858 -11.482 79 HA PRO 80 HA PRO 80 -16.111 -4.606 -10.499 80 HB2 PRO 80 HB2 PRO 80 -18.073 -5.054 -12.357 81 HB3 PRO 80 HB3 PRO 80 -18.188 -3.793 -11.094 82 HG2 PRO 80 HG2 PRO 80 -17.280 -3.459 -13.966 83 HG3 PRO 80 HG3 PRO 80 -18.492 -2.482 -13.068 84 HD2 PRO 80 HD2 PRO 80 -15.912 -1.667 -13.325 85 HD3 PRO 80 HD3 PRO 80 -16.805 -1.416 -11.793 86 H ALA 81 H ALA 81 -14.621 -4.222 -13.665 87 HA ALA 81 HA ALA 81 -14.880 -6.971 -14.513 88 HB1 ALA 81 HB1 ALA 81 -13.387 -6.258 -16.319 89 HB2 ALA 81 HB2 ALA 81 -14.653 -5.042 -16.053 90 HB3 ALA 81 HB3 ALA 81 -13.005 -4.755 -15.449 91 H THR 82 H THR 82 -12.238 -5.137 -12.942 92 HA THR 82 HA THR 82 -10.743 -7.696 -12.420 93 HB THR 82 HB THR 82 -8.715 -6.643 -12.815 94 HG1 THR 82 HG1 THR 82 -10.279 -4.352 -13.430 95 HG21 THR 82 HG21 THR 82 -9.985 -7.769 -14.623 96 HG22 THR 82 HG22 THR 82 -10.515 -6.170 -15.204 97 HG23 THR 82 HG23 THR 82 -8.786 -6.584 -15.196 98 H GLY 83 H GLY 83 -12.072 -4.902 -10.872 99 HA2 GLY 83 HA2 GLY 83 -12.262 -4.723 -8.571 100 HA3 GLY 83 HA3 GLY 83 -10.872 -5.775 -8.326 101 H LYS 84 H LYS 84 -9.955 -3.379 -10.506 102 HA LYS 84 HA LYS 84 -8.108 -2.031 -8.793 103 HB2 LYS 84 HB2 LYS 84 -9.292 -1.181 -11.471 104 HB3 LYS 84 HB3 LYS 84 -7.914 -0.414 -10.663 105 HG2 LYS 84 HG2 LYS 84 -6.739 -2.623 -10.645 106 HG3 LYS 84 HG3 LYS 84 -8.054 -3.302 -11.617 107 HD2 LYS 84 HD2 LYS 84 -7.597 -1.430 -13.334 108 HD3 LYS 84 HD3 LYS 84 -6.162 -1.035 -12.376 109 HE2 LYS 84 HE2 LYS 84 -5.275 -2.419 -14.025 110 HE3 LYS 84 HE3 LYS 84 -5.492 -3.524 -12.665 111 HZ1 LYS 84 HZ1 LYS 84 -7.672 -4.179 -13.752 112 HZ2 LYS 84 HZ2 LYS 84 -7.280 -3.250 -15.038 113 HZ3 LYS 84 HZ3 LYS 84 -6.357 -4.541 -14.668 114 H THR 85 H THR 85 -8.091 0.040 -7.887 115 HA THR 85 HA THR 85 -10.759 1.354 -7.480 116 HB THR 85 HB THR 85 -9.897 1.969 -5.190 117 HG1 THR 85 HG1 THR 85 -8.219 0.655 -4.378 118 HG21 THR 85 HG21 THR 85 -10.256 -1.001 -5.749 119 HG22 THR 85 HG22 THR 85 -10.405 -0.202 -4.164 120 HG23 THR 85 HG23 THR 85 -11.543 0.200 -5.456 121 H TRP 86 H TRP 86 -10.849 3.559 -6.977 122 HA TRP 86 HA TRP 86 -8.430 5.205 -7.055 123 HB2 TRP 86 HB2 TRP 86 -9.068 5.010 -9.455 124 HB3 TRP 86 HB3 TRP 86 -10.648 5.671 -9.087 125 HD1 TRP 86 HD1 TRP 86 -6.986 6.800 -8.366 126 HE1 TRP 86 HE1 TRP 86 -6.816 9.338 -8.691 127 HE3 TRP 86 HE3 TRP 86 -11.761 7.743 -9.919 128 HZ2 TRP 86 HZ2 TRP 86 -8.525 11.497 -9.549 129 HZ3 TRP 86 HZ3 TRP 86 -12.504 10.061 -10.374 130 HH2 TRP 86 HH2 TRP 86 -10.929 11.946 -10.120 131 H SER 87 H SER 87 -8.964 7.517 -6.392 132 HA SER 87 HA SER 87 -11.343 7.574 -4.548 133 HB2 SER 87 HB2 SER 87 -9.784 8.353 -2.797 134 HB3 SER 87 HB3 SER 87 -9.260 6.788 -3.453 135 HG SER 87 HG SER 87 -7.509 8.291 -3.308 136 H GLY 88 H GLY 88 -10.285 9.358 -7.091 137 HA2 GLY 88 HA2 GLY 88 -11.226 11.482 -7.624 138 HA3 GLY 88 HA3 GLY 88 -11.459 11.833 -5.932 139 H ARG 89 H ARG 89 -8.302 10.696 -6.326 140 HA ARG 89 HA ARG 89 -7.099 13.407 -6.696 141 HB2 ARG 89 HB2 ARG 89 -7.605 12.924 -4.292 142 HB3 ARG 89 HB3 ARG 89 -6.566 11.501 -4.366 143 HG2 ARG 89 HG2 ARG 89 -4.597 12.903 -4.773 144 HG3 ARG 89 HG3 ARG 89 -5.601 14.360 -4.898 145 HD2 ARG 89 HD2 ARG 89 -5.370 12.609 -2.411 146 HD3 ARG 89 HD3 ARG 89 -4.403 14.067 -2.710 147 HE ARG 89 HE ARG 89 -7.087 14.851 -3.004 148 HH11 ARG 89 HH11 ARG 89 -5.066 13.718 -0.374 149 HH12 ARG 89 HH12 ARG 89 -6.001 14.564 0.829 150 HH21 ARG 89 HH21 ARG 89 -8.239 15.900 -1.415 151 HH22 ARG 89 HH22 ARG 89 -7.748 15.766 0.249 152 H GLY 90 H GLY 90 -4.845 13.403 -7.224 153 HA2 GLY 90 HA2 GLY 90 -2.867 12.614 -8.148 154 HA3 GLY 90 HA3 GLY 90 -3.315 10.980 -7.663 155 H ARG 91 H ARG 91 -2.230 10.534 -9.747 156 HA ARG 91 HA ARG 91 -3.383 11.161 -12.326 157 HB2 ARG 91 HB2 ARG 91 -1.565 8.880 -11.545 158 HB3 ARG 91 HB3 ARG 91 -2.033 9.394 -13.180 159 HG2 ARG 91 HG2 ARG 91 -0.979 11.614 -12.800 160 HG3 ARG 91 HG3 ARG 91 -0.508 11.109 -11.174 161 HD2 ARG 91 HD2 ARG 91 1.404 10.884 -12.580 162 HD3 ARG 91 HD3 ARG 91 0.846 9.253 -12.165 163 HE ARG 91 HE ARG 91 -0.300 10.175 -14.670 164 HH11 ARG 91 HH11 ARG 91 2.711 8.889 -13.410 165 HH12 ARG 91 HH12 ARG 91 3.186 8.241 -14.957 166 HH21 ARG 91 HH21 ARG 91 0.369 9.319 -16.616 167 HH22 ARG 91 HH22 ARG 91 1.888 8.484 -16.721 168 H GLN 92 H GLN 92 -5.475 10.757 -12.616 169 HA GLN 92 HA GLN 92 -6.996 8.584 -11.668 170 HB2 GLN 92 HB2 GLN 92 -7.850 10.761 -12.498 171 HB3 GLN 92 HB3 GLN 92 -7.410 10.301 -14.154 172 HG2 GLN 92 HG2 GLN 92 -9.000 8.371 -13.988 173 HG3 GLN 92 HG3 GLN 92 -9.437 8.908 -12.359 174 HE21 GLN 92 HE22 GLN 92 -10.987 10.579 -12.170 175 HE22 GLN 92 HE21 GLN 92 -11.671 11.396 -13.574 176 HA PRO 93 HA PRO 93 -5.543 5.383 -14.494 177 HB2 PRO 93 HB2 PRO 93 -7.192 3.329 -13.872 178 HB3 PRO 93 HB3 PRO 93 -5.979 3.953 -12.718 179 HG2 PRO 93 HG2 PRO 93 -8.936 4.656 -12.848 180 HG3 PRO 93 HG3 PRO 93 -7.974 4.142 -11.422 181 HD2 PRO 93 HD2 PRO 93 -8.459 6.768 -11.969 182 HD3 PRO 93 HD3 PRO 93 -6.910 6.228 -11.261 183 H ALA 94 H ALA 94 -6.218 4.071 -16.341 184 HA ALA 94 HA ALA 94 -7.663 5.604 -18.191 185 HB1 ALA 94 HB1 ALA 94 -7.276 3.692 -19.710 186 HB2 ALA 94 HB2 ALA 94 -5.839 4.056 -18.747 187 HB3 ALA 94 HB3 ALA 94 -6.857 2.661 -18.325 188 H TRP 95 H TRP 95 -8.861 2.742 -16.379 189 HA TRP 95 HA TRP 95 -11.261 2.357 -17.866 190 HB2 TRP 95 HB2 TRP 95 -12.047 1.121 -15.832 191 HB3 TRP 95 HB3 TRP 95 -10.498 0.604 -16.468 192 HD1 TRP 95 HD1 TRP 95 -8.366 0.938 -14.973 193 HE1 TRP 95 HE1 TRP 95 -8.036 1.341 -12.466 194 HE3 TRP 95 HE3 TRP 95 -13.192 2.221 -13.693 195 HZ2 TRP 95 HZ2 TRP 95 -9.617 2.097 -10.219 196 HZ3 TRP 95 HZ3 TRP 95 -13.743 2.678 -11.333 197 HH2 TRP 95 HH2 TRP 95 -11.974 2.637 -9.589 198 H LEU 96 H LEU 96 -10.534 4.764 -15.438 199 HA LEU 96 HA LEU 96 -13.206 5.487 -14.722 200 HB2 LEU 96 HB2 LEU 96 -10.587 6.216 -13.999 201 HB3 LEU 96 HB3 LEU 96 -11.187 7.653 -14.793 202 HG LEU 96 HG LEU 96 -11.474 7.803 -12.432 203 HD11 LEU 96 HD11 LEU 96 -13.860 8.241 -12.176 204 HD12 LEU 96 HD12 LEU 96 -13.244 8.856 -13.719 205 HD13 LEU 96 HD13 LEU 96 -14.202 7.370 -13.685 206 HD21 LEU 96 HD21 LEU 96 -12.975 5.172 -12.588 207 HD22 LEU 96 HD22 LEU 96 -11.454 5.507 -11.761 208 HD23 LEU 96 HD23 LEU 96 -12.955 6.232 -11.173 209 H GLY 97 H GLY 97 -11.294 6.188 -17.566 210 HA2 GLY 97 HA2 GLY 97 -12.618 8.640 -18.323 211 HA3 GLY 97 HA3 GLY 97 -11.409 7.746 -19.244 212 H ASN 98 H ASN 98 -14.732 6.855 -18.167 213 HA ASN 98 HA ASN 98 -15.679 6.844 -20.985 214 HB2 ASN 98 HB2 ASN 98 -14.750 4.586 -20.650 215 HB3 ASN 98 HB3 ASN 98 -15.736 4.368 -19.208 216 HD21 ASN 98 HD22 ASN 98 -17.166 2.736 -19.852 217 HD22 ASN 98 HD21 ASN 98 -18.185 2.867 -21.275 218 H ASP 99 H ASP 99 -16.852 5.758 -17.733 219 HA ASP 99 HA ASP 99 -18.960 7.803 -17.755 220 HB2 ASP 99 HB2 ASP 99 -19.937 6.020 -19.137 221 HB3 ASP 99 HB3 ASP 99 -19.668 4.849 -17.851 222 HA PRO 100 HA PRO 100 -16.659 6.945 -13.836 223 HB2 PRO 100 HB2 PRO 100 -17.949 9.576 -13.198 224 HB3 PRO 100 HB3 PRO 100 -16.316 8.952 -12.782 225 HG2 PRO 100 HG2 PRO 100 -16.633 10.631 -14.887 226 HG3 PRO 100 HG3 PRO 100 -15.542 9.219 -15.009 227 HD2 PRO 100 HD2 PRO 100 -18.326 9.536 -16.112 228 HD3 PRO 100 HD3 PRO 100 -16.901 8.722 -16.820 229 H ALA 101 H ALA 101 -20.087 8.007 -13.863 230 HA ALA 101 HA ALA 101 -20.693 7.221 -11.202 231 HB1 ALA 101 HB1 ALA 101 -23.024 7.538 -11.920 232 HB2 ALA 101 HB2 ALA 101 -21.989 8.848 -12.512 233 HB3 ALA 101 HB3 ALA 101 -22.509 7.558 -13.621 234 H ALA 102 H ALA 102 -20.365 5.199 -14.059 235 HA ALA 102 HA ALA 102 -22.222 3.135 -13.370 236 HB1 ALA 102 HB1 ALA 102 -21.020 1.853 -15.081 237 HB2 ALA 102 HB2 ALA 102 -21.283 3.521 -15.631 238 HB3 ALA 102 HB3 ALA 102 -19.679 3.017 -15.050 239 H PHE 103 H PHE 103 -18.905 3.710 -12.336 240 HA PHE 103 HA PHE 103 -18.960 1.279 -10.587 241 HB2 PHE 103 HB2 PHE 103 -16.438 1.206 -11.162 242 HB3 PHE 103 HB3 PHE 103 -17.599 0.650 -12.349 243 HD1 PHE 103 HD2 PHE 103 -15.941 3.884 -11.375 244 HD2 PHE 103 HD1 PHE 103 -17.256 1.309 -14.567 245 HE1 PHE 103 HE2 PHE 103 -15.173 5.535 -13.017 246 HE2 PHE 103 HE1 PHE 103 -16.434 2.960 -16.230 247 HZ PHE 103 HZ PHE 103 -15.406 5.086 -15.465 248 H LEU 104 H LEU 104 -19.324 4.407 -10.230 249 HA LEU 104 HA LEU 104 -17.418 5.117 -8.158 250 HB2 LEU 104 HB2 LEU 104 -19.019 6.567 -9.613 251 HB3 LEU 104 HB3 LEU 104 -20.250 6.191 -8.418 252 HG LEU 104 HG LEU 104 -17.557 7.501 -7.793 253 HD11 LEU 104 HD11 LEU 104 -18.771 9.634 -7.762 254 HD12 LEU 104 HD12 LEU 104 -18.901 8.880 -9.358 255 HD13 LEU 104 HD13 LEU 104 -20.275 8.807 -8.235 256 HD21 LEU 104 HD21 LEU 104 -18.552 6.623 -5.754 257 HD22 LEU 104 HD22 LEU 104 -18.699 8.359 -5.762 258 HD23 LEU 104 HD23 LEU 104 -20.120 7.361 -6.150 259 H ILE 105 H ILE 105 -17.493 4.579 -6.013 260 HA ILE 105 HA ILE 105 -19.158 2.370 -5.088 261 HB ILE 105 HB ILE 105 -17.227 4.152 -3.561 262 HG12 ILE 105 HG12 ILE 105 -16.826 1.299 -4.590 263 HG13 ILE 105 HG13 ILE 105 -16.266 2.723 -5.467 264 HG21 ILE 105 HG21 ILE 105 -18.688 1.550 -2.885 265 HG22 ILE 105 HG22 ILE 105 -17.386 2.250 -1.884 266 HG23 ILE 105 HG23 ILE 105 -18.906 3.119 -2.083 267 HD11 ILE 105 HD11 ILE 105 -15.335 1.842 -2.720 268 HD12 ILE 105 HD12 ILE 105 -14.399 1.958 -4.222 269 HD13 ILE 105 HD13 ILE 105 -14.988 3.435 -3.432 270 H GLN 106 H GLN 106 -21.229 2.620 -4.656 271 HA GLN 106 HA GLN 106 -22.279 5.065 -3.339 272 HB2 GLN 106 HB2 GLN 106 -23.923 5.388 -5.106 273 HB3 GLN 106 HB3 GLN 106 -22.304 5.385 -5.787 274 HG2 GLN 106 HG2 GLN 106 -22.737 2.877 -6.364 275 HG3 GLN 106 HG3 GLN 106 -24.427 3.215 -5.998 276 HE21 GLN 106 HE22 GLN 106 -21.740 3.894 -8.190 277 HE22 GLN 106 HE21 GLN 106 -22.724 4.576 -9.487 278 HA PRO 107 HA PRO 107 -24.868 2.605 -0.920 279 HB2 PRO 107 HB2 PRO 107 -27.332 3.986 -2.000 280 HB3 PRO 107 HB3 PRO 107 -26.893 3.659 -0.292 281 HG2 PRO 107 HG2 PRO 107 -26.468 6.112 -1.331 282 HG3 PRO 107 HG3 PRO 107 -25.184 5.343 -0.338 283 HD2 PRO 107 HD2 PRO 107 -25.391 5.505 -3.348 284 HD3 PRO 107 HD3 PRO 107 -23.976 5.795 -2.289 285 H ASP 108 H ASP 108 -25.451 2.214 -4.230 286 HA ASP 108 HA ASP 108 -27.364 0.169 -4.317 287 HB2 ASP 108 HB2 ASP 108 -26.466 1.388 -6.277 288 HB3 ASP 108 HB3 ASP 108 -24.905 0.595 -6.044 289 H LEU 109 H LEU 109 -24.075 0.160 -3.199 290 HA LEU 109 HA LEU 109 -24.182 -2.696 -2.536 291 HB2 LEU 109 HB2 LEU 109 -21.964 -2.981 -3.234 292 HB3 LEU 109 HB3 LEU 109 -22.690 -1.932 -4.434 293 HG LEU 109 HG LEU 109 -21.610 0.006 -2.909 294 HD11 LEU 109 HD11 LEU 109 -19.739 -2.376 -2.512 295 HD12 LEU 109 HD12 LEU 109 -19.378 -0.685 -2.099 296 HD13 LEU 109 HD13 LEU 109 -20.631 -1.557 -1.219 297 HD21 LEU 109 HD21 LEU 109 -20.081 -1.717 -4.902 298 HD22 LEU 109 HD22 LEU 109 -21.154 -0.354 -5.294 299 HD23 LEU 109 HD23 LEU 109 -19.641 -0.068 -4.418 300 HA PRO 110 HA PRO 110 -23.629 -1.416 1.620 301 HB2 PRO 110 HB2 PRO 110 -22.459 -3.542 2.882 302 HB3 PRO 110 HB3 PRO 110 -24.053 -3.655 2.079 303 HG2 PRO 110 HG2 PRO 110 -21.353 -4.418 0.911 304 HG3 PRO 110 HG3 PRO 110 -22.849 -5.406 0.978 305 HD2 PRO 110 HD2 PRO 110 -22.173 -3.952 -1.224 306 HD3 PRO 110 HD3 PRO 110 -23.877 -4.142 -0.719 307 H ALA 111 H ALA 111 -22.251 0.224 0.663 308 HA ALA 111 HA ALA 111 -19.381 0.273 1.100 309 HB1 ALA 111 HB1 ALA 111 -21.358 2.475 0.355 310 HB2 ALA 111 HB2 ALA 111 -19.589 2.553 0.201 311 HB3 ALA 111 HB3 ALA 111 -20.514 1.403 -0.783 312 H ILE 112 H ILE 112 -20.102 -0.419 3.508 313 HA ILE 112 HA ILE 112 -20.717 0.036 5.632 314 HB ILE 112 HB ILE 112 -18.337 -0.075 5.507 315 HG12 ILE 112 HG12 ILE 112 -17.684 0.875 7.655 316 HG13 ILE 112 HG13 ILE 112 -19.103 1.912 7.682 317 HG21 ILE 112 HG21 ILE 112 -17.743 1.844 4.139 318 HG22 ILE 112 HG22 ILE 112 -18.222 2.959 5.434 319 HG23 ILE 112 HG23 ILE 112 -16.845 1.865 5.654 320 HD11 ILE 112 HD11 ILE 112 -20.573 -0.058 7.862 321 HD12 ILE 112 HD12 ILE 112 -19.169 -1.141 7.672 322 HD13 ILE 112 HD13 ILE 112 -19.316 -0.119 9.110 323 H LEU 113 H LEU 113 -22.620 1.004 4.758 324 HA LEU 113 HA LEU 113 -22.999 3.860 4.691 325 HB2 LEU 113 HB2 LEU 113 -25.027 1.586 4.706 326 HB3 LEU 113 HB3 LEU 113 -25.383 3.257 4.295 327 HG LEU 113 HG LEU 113 -23.494 1.454 2.719 328 HD11 LEU 113 HD11 LEU 113 -25.861 0.763 2.576 329 HD12 LEU 113 HD12 LEU 113 -26.309 2.411 2.072 330 HD13 LEU 113 HD13 LEU 113 -25.260 1.404 1.041 331 HD21 LEU 113 HD21 LEU 113 -23.634 3.224 0.986 332 HD22 LEU 113 HD22 LEU 113 -24.549 4.248 2.116 333 HD23 LEU 113 HD23 LEU 113 -22.859 3.815 2.460 334 H GLU 114 H GLU 114 -23.179 1.678 7.358 335 HA GLU 114 HA GLU 114 -24.119 3.800 9.174 336 HB2 GLU 114 HB2 GLU 114 -26.165 2.773 8.499 337 HB3 GLU 114 HB3 GLU 114 -25.571 1.161 8.949 338 HG2 GLU 114 HG2 GLU 114 -25.440 1.885 11.320 339 HG3 GLU 114 HG3 GLU 114 -25.928 3.516 10.864 Start of MODEL 8 1 H1 MET 71 H1 MET 71 -2.891 3.906 8.672 2 H2 MET 71 H2 MET 71 -1.629 4.936 8.515 3 H3 MET 71 H3 MET 71 -2.955 5.387 9.355 4 HA MET 71 HA MET 71 -2.943 6.462 7.185 5 HB2 MET 71 HB2 MET 71 -3.019 3.586 6.147 6 HB3 MET 71 HB3 MET 71 -3.422 5.005 5.180 7 HG2 MET 71 HG2 MET 71 -1.143 5.909 5.539 8 HG3 MET 71 HG3 MET 71 -0.711 4.453 6.447 9 HE1 MET 71 HE1 MET 71 0.964 5.585 3.983 10 HE2 MET 71 HE2 MET 71 1.413 4.122 4.893 11 HE3 MET 71 HE3 MET 71 1.336 4.077 3.118 12 H SER 72 H SER 72 -4.927 7.223 6.510 13 HA SER 72 HA SER 72 -7.371 5.793 7.514 14 HB2 SER 72 HB2 SER 72 -6.708 8.744 7.823 15 HB3 SER 72 HB3 SER 72 -8.147 7.905 8.434 16 HG SER 72 HG SER 72 -6.524 8.175 10.057 17 H THR 73 H THR 73 -6.169 6.483 4.660 18 HA THR 73 HA THR 73 -8.239 8.122 3.375 19 HB THR 73 HB THR 73 -7.262 7.554 1.355 20 HG1 THR 73 HG1 THR 73 -5.419 6.191 1.268 21 HG21 THR 73 HG21 THR 73 -6.213 9.363 2.697 22 HG22 THR 73 HG22 THR 73 -5.056 8.192 3.356 23 HG23 THR 73 HG23 THR 73 -5.056 8.559 1.621 24 H VAL 74 H VAL 74 -9.616 7.327 1.638 25 HA VAL 74 HA VAL 74 -10.352 4.482 1.659 26 HB VAL 74 HB VAL 74 -11.693 5.365 3.426 27 HG11 VAL 74 HG11 VAL 74 -11.827 7.767 2.782 28 HG12 VAL 74 HG12 VAL 74 -12.949 7.339 1.468 29 HG13 VAL 74 HG13 VAL 74 -13.405 7.082 3.162 30 HG21 VAL 74 HG21 VAL 74 -13.447 4.819 1.028 31 HG22 VAL 74 HG22 VAL 74 -12.773 3.629 2.178 32 HG23 VAL 74 HG23 VAL 74 -13.960 4.811 2.721 33 HA PRO 75 HA PRO 75 -10.784 5.517 -2.678 34 HB2 PRO 75 HB2 PRO 75 -11.990 3.270 -3.647 35 HB3 PRO 75 HB3 PRO 75 -10.294 3.315 -3.100 36 HG2 PRO 75 HG2 PRO 75 -12.722 2.440 -1.498 37 HG3 PRO 75 HG3 PRO 75 -11.179 1.555 -1.735 38 HD2 PRO 75 HD2 PRO 75 -11.600 3.059 0.480 39 HD3 PRO 75 HD3 PRO 75 -10.009 3.061 -0.314 40 H LYS 76 H LYS 76 -12.294 5.772 -4.351 41 HA LYS 76 HA LYS 76 -15.076 6.498 -3.483 42 HB2 LYS 76 HB2 LYS 76 -13.670 8.423 -3.699 43 HB3 LYS 76 HB3 LYS 76 -13.269 8.036 -5.385 44 HG2 LYS 76 HG2 LYS 76 -15.608 8.356 -6.037 45 HG3 LYS 76 HG3 LYS 76 -16.088 8.569 -4.344 46 HD2 LYS 76 HD2 LYS 76 -14.837 10.636 -4.167 47 HD3 LYS 76 HD3 LYS 76 -14.103 10.404 -5.766 48 HE2 LYS 76 HE2 LYS 76 -16.309 10.572 -6.850 49 HE3 LYS 76 HE3 LYS 76 -17.100 10.701 -5.271 50 HZ1 LYS 76 HZ1 LYS 76 -15.187 12.704 -6.383 51 HZ2 LYS 76 HZ2 LYS 76 -16.805 12.891 -6.281 52 HZ3 LYS 76 HZ3 LYS 76 -15.911 12.815 -4.921 53 H TYR 77 H TYR 77 -13.106 5.020 -5.997 54 HA TYR 77 HA TYR 77 -15.575 4.057 -7.393 55 HB2 TYR 77 HB2 TYR 77 -12.990 4.940 -8.721 56 HB3 TYR 77 HB3 TYR 77 -14.447 4.395 -9.521 57 HD1 TYR 77 HD2 TYR 77 -12.890 7.157 -7.602 58 HD2 TYR 77 HD1 TYR 77 -16.240 5.973 -10.044 59 HE1 TYR 77 HE2 TYR 77 -13.529 9.543 -7.903 60 HE2 TYR 77 HE1 TYR 77 -16.848 8.348 -10.371 61 HH TYR 77 HH TYR 77 -16.327 10.565 -9.888 62 H ARG 78 H ARG 78 -15.418 1.960 -8.273 63 HA ARG 78 HA ARG 78 -12.848 0.524 -8.117 64 HB2 ARG 78 HB2 ARG 78 -13.992 0.178 -5.908 65 HB3 ARG 78 HB3 ARG 78 -15.326 -0.623 -6.747 66 HG2 ARG 78 HG2 ARG 78 -13.787 -2.372 -7.583 67 HG3 ARG 78 HG3 ARG 78 -12.405 -1.471 -6.956 68 HD2 ARG 78 HD2 ARG 78 -13.474 -1.741 -4.622 69 HD3 ARG 78 HD3 ARG 78 -14.535 -2.943 -5.393 70 HE ARG 78 HE ARG 78 -11.690 -3.360 -5.958 71 HH11 ARG 78 HH11 ARG 78 -14.091 -4.058 -3.484 72 HH12 ARG 78 HH12 ARG 78 -13.167 -5.393 -2.855 73 HH21 ARG 78 HH21 ARG 78 -10.584 -5.037 -5.106 74 HH22 ARG 78 HH22 ARG 78 -11.224 -5.931 -3.757 75 H ASP 79 H ASP 79 -12.532 -0.376 -9.980 76 HA ASP 79 HA ASP 79 -14.416 -0.641 -12.095 77 HB2 ASP 79 HB2 ASP 79 -12.067 -0.373 -12.515 78 HB3 ASP 79 HB3 ASP 79 -11.671 -1.827 -11.607 79 HA PRO 80 HA PRO 80 -16.112 -4.554 -10.483 80 HB2 PRO 80 HB2 PRO 80 -18.085 -5.028 -12.333 81 HB3 PRO 80 HB3 PRO 80 -18.204 -3.789 -11.046 82 HG2 PRO 80 HG2 PRO 80 -17.346 -3.398 -13.928 83 HG3 PRO 80 HG3 PRO 80 -18.555 -2.449 -12.996 84 HD2 PRO 80 HD2 PRO 80 -15.997 -1.591 -13.287 85 HD3 PRO 80 HD3 PRO 80 -16.867 -1.374 -11.737 86 H ALA 81 H ALA 81 -14.671 -4.165 -13.677 87 HA ALA 81 HA ALA 81 -14.864 -6.954 -14.450 88 HB1 ALA 81 HB1 ALA 81 -13.480 -6.224 -16.339 89 HB2 ALA 81 HB2 ALA 81 -14.810 -5.081 -16.059 90 HB3 ALA 81 HB3 ALA 81 -13.163 -4.671 -15.543 91 H THR 82 H THR 82 -12.346 -4.996 -12.873 92 HA THR 82 HA THR 82 -10.592 -7.425 -12.566 93 HB THR 82 HB THR 82 -8.713 -6.074 -12.732 94 HG1 THR 82 HG1 THR 82 -10.511 -3.933 -13.274 95 HG21 THR 82 HG21 THR 82 -10.521 -5.461 -15.090 96 HG22 THR 82 HG22 THR 82 -8.752 -5.660 -15.085 97 HG23 THR 82 HG23 THR 82 -9.810 -7.055 -14.732 98 H GLY 83 H GLY 83 -12.172 -4.878 -10.760 99 HA2 GLY 83 HA2 GLY 83 -12.350 -4.758 -8.455 100 HA3 GLY 83 HA3 GLY 83 -10.980 -5.844 -8.250 101 H LYS 84 H LYS 84 -9.946 -3.487 -10.380 102 HA LYS 84 HA LYS 84 -8.150 -2.134 -8.601 103 HB2 LYS 84 HB2 LYS 84 -9.148 -1.499 -11.408 104 HB3 LYS 84 HB3 LYS 84 -7.898 -0.554 -10.577 105 HG2 LYS 84 HG2 LYS 84 -6.510 -2.540 -10.296 106 HG3 LYS 84 HG3 LYS 84 -7.723 -3.551 -11.093 107 HD2 LYS 84 HD2 LYS 84 -7.511 -2.138 -13.158 108 HD3 LYS 84 HD3 LYS 84 -6.187 -1.253 -12.393 109 HE2 LYS 84 HE2 LYS 84 -6.232 -4.271 -12.911 110 HE3 LYS 84 HE3 LYS 84 -5.502 -3.087 -13.992 111 HZ1 LYS 84 HZ1 LYS 84 -4.613 -3.605 -11.196 112 HZ2 LYS 84 HZ2 LYS 84 -3.821 -4.041 -12.550 113 HZ3 LYS 84 HZ3 LYS 84 -3.971 -2.461 -12.181 114 H THR 85 H THR 85 -8.114 -0.036 -7.792 115 HA THR 85 HA THR 85 -10.769 1.329 -7.491 116 HB THR 85 HB THR 85 -9.935 1.969 -5.192 117 HG1 THR 85 HG1 THR 85 -8.287 0.627 -4.334 118 HG21 THR 85 HG21 THR 85 -10.310 -1.009 -5.691 119 HG22 THR 85 HG22 THR 85 -10.478 -0.176 -4.130 120 HG23 THR 85 HG23 THR 85 -11.597 0.202 -5.446 121 H TRP 86 H TRP 86 -10.805 3.539 -6.962 122 HA TRP 86 HA TRP 86 -8.338 5.112 -7.044 123 HB2 TRP 86 HB2 TRP 86 -8.981 5.003 -9.425 124 HB3 TRP 86 HB3 TRP 86 -10.578 5.621 -9.040 125 HD1 TRP 86 HD1 TRP 86 -6.942 6.852 -8.326 126 HE1 TRP 86 HE1 TRP 86 -6.867 9.409 -8.622 127 HE3 TRP 86 HE3 TRP 86 -11.760 7.643 -9.829 128 HZ2 TRP 86 HZ2 TRP 86 -8.658 11.512 -9.440 129 HZ3 TRP 86 HZ3 TRP 86 -12.566 9.934 -10.329 130 HH2 TRP 86 HH2 TRP 86 -11.071 11.871 -10.038 131 H SER 87 H SER 87 -8.730 7.365 -6.277 132 HA SER 87 HA SER 87 -11.017 7.413 -4.329 133 HB2 SER 87 HB2 SER 87 -8.210 8.387 -3.800 134 HB3 SER 87 HB3 SER 87 -9.526 8.077 -2.644 135 HG SER 87 HG SER 87 -7.878 6.397 -2.757 136 H GLY 88 H GLY 88 -10.483 9.116 -6.963 137 HA2 GLY 88 HA2 GLY 88 -11.523 11.138 -7.498 138 HA3 GLY 88 HA3 GLY 88 -11.771 11.474 -5.796 139 H ARG 89 H ARG 89 -8.480 10.801 -6.416 140 HA ARG 89 HA ARG 89 -7.730 13.670 -6.802 141 HB2 ARG 89 HB2 ARG 89 -6.728 11.857 -4.557 142 HB3 ARG 89 HB3 ARG 89 -6.040 13.428 -4.977 143 HG2 ARG 89 HG2 ARG 89 -8.273 14.492 -4.491 144 HG3 ARG 89 HG3 ARG 89 -8.870 12.913 -3.972 145 HD2 ARG 89 HD2 ARG 89 -8.256 14.111 -2.007 146 HD3 ARG 89 HD3 ARG 89 -7.060 12.823 -2.249 147 HE ARG 89 HE ARG 89 -6.203 15.316 -3.468 148 HH11 ARG 89 HH21 ARG 89 -6.437 13.833 -0.301 149 HH12 ARG 89 HH22 ARG 89 -5.167 14.828 0.364 150 HH21 ARG 89 HH11 ARG 89 -4.567 16.534 -2.569 151 HH22 ARG 89 HH12 ARG 89 -4.140 16.314 -0.901 152 H GLY 90 H GLY 90 -5.609 14.033 -7.534 153 HA2 GLY 90 HA2 GLY 90 -3.768 13.636 -8.888 154 HA3 GLY 90 HA3 GLY 90 -3.786 11.951 -8.369 155 H ARG 91 H ARG 91 -3.059 11.816 -10.713 156 HA ARG 91 HA ARG 91 -4.908 12.108 -12.900 157 HB2 ARG 91 HB2 ARG 91 -2.549 12.065 -13.205 158 HB3 ARG 91 HB3 ARG 91 -2.423 10.401 -12.597 159 HG2 ARG 91 HG2 ARG 91 -3.775 9.608 -14.527 160 HG3 ARG 91 HG3 ARG 91 -3.967 11.287 -15.085 161 HD2 ARG 91 HD2 ARG 91 -1.511 11.455 -15.369 162 HD3 ARG 91 HD3 ARG 91 -1.333 9.776 -14.820 163 HE ARG 91 HE ARG 91 -3.173 9.801 -16.988 164 HH11 ARG 91 HH11 ARG 91 0.265 10.341 -16.529 165 HH12 ARG 91 HH12 ARG 91 0.651 9.860 -18.157 166 HH21 ARG 91 HH21 ARG 91 -2.608 9.227 -19.062 167 HH22 ARG 91 HH22 ARG 91 -0.946 9.262 -19.555 168 H GLN 92 H GLN 92 -6.822 11.095 -12.958 169 HA GLN 92 HA GLN 92 -7.490 8.648 -11.708 170 HB2 GLN 92 HB2 GLN 92 -9.534 8.727 -13.015 171 HB3 GLN 92 HB3 GLN 92 -9.145 10.307 -12.354 172 HG2 GLN 92 HG2 GLN 92 -8.274 11.009 -14.598 173 HG3 GLN 92 HG3 GLN 92 -8.714 9.425 -15.242 174 HE21 GLN 92 HE22 GLN 92 -10.189 12.285 -13.536 175 HE22 GLN 92 HE21 GLN 92 -11.719 12.125 -14.378 176 HA PRO 93 HA PRO 93 -5.827 5.597 -14.485 177 HB2 PRO 93 HB2 PRO 93 -7.301 3.382 -13.908 178 HB3 PRO 93 HB3 PRO 93 -6.170 4.119 -12.739 179 HG2 PRO 93 HG2 PRO 93 -9.171 4.532 -12.922 180 HG3 PRO 93 HG3 PRO 93 -8.197 4.127 -11.473 181 HD2 PRO 93 HD2 PRO 93 -8.921 6.690 -12.041 182 HD3 PRO 93 HD3 PRO 93 -7.327 6.312 -11.324 183 H ALA 94 H ALA 94 -6.347 4.140 -16.320 184 HA ALA 94 HA ALA 94 -7.746 5.504 -18.295 185 HB1 ALA 94 HB1 ALA 94 -5.902 3.935 -18.699 186 HB2 ALA 94 HB2 ALA 94 -6.937 2.567 -18.227 187 HB3 ALA 94 HB3 ALA 94 -7.315 3.514 -19.682 188 H TRP 95 H TRP 95 -8.999 2.758 -16.352 189 HA TRP 95 HA TRP 95 -11.433 2.399 -17.838 190 HB2 TRP 95 HB2 TRP 95 -12.202 1.205 -15.786 191 HB3 TRP 95 HB3 TRP 95 -10.696 0.625 -16.463 192 HD1 TRP 95 HD1 TRP 95 -8.516 0.848 -15.022 193 HE1 TRP 95 HE1 TRP 95 -8.107 1.220 -12.519 194 HE3 TRP 95 HE3 TRP 95 -13.233 2.353 -13.622 195 HZ2 TRP 95 HZ2 TRP 95 -9.605 2.047 -10.222 196 HZ3 TRP 95 HZ3 TRP 95 -13.707 2.860 -11.256 197 HH2 TRP 95 HH2 TRP 95 -11.912 2.734 -9.554 198 H LEU 96 H LEU 96 -10.547 4.834 -15.484 199 HA LEU 96 HA LEU 96 -13.215 5.559 -14.673 200 HB2 LEU 96 HB2 LEU 96 -10.656 6.121 -13.807 201 HB3 LEU 96 HB3 LEU 96 -11.035 7.596 -14.650 202 HG LEU 96 HG LEU 96 -11.519 7.875 -12.343 203 HD11 LEU 96 HD11 LEU 96 -13.877 8.421 -12.215 204 HD12 LEU 96 HD12 LEU 96 -13.213 8.904 -13.785 205 HD13 LEU 96 HD13 LEU 96 -14.220 7.448 -13.660 206 HD21 LEU 96 HD21 LEU 96 -11.622 5.605 -11.594 207 HD22 LEU 96 HD22 LEU 96 -13.146 6.383 -11.136 208 HD23 LEU 96 HD23 LEU 96 -13.087 5.284 -12.520 209 H GLY 97 H GLY 97 -11.152 6.472 -17.362 210 HA2 GLY 97 HA2 GLY 97 -12.495 8.913 -18.068 211 HA3 GLY 97 HA3 GLY 97 -11.245 8.084 -18.993 212 H ASN 98 H ASN 98 -14.579 7.086 -18.089 213 HA ASN 98 HA ASN 98 -15.438 7.222 -20.929 214 HB2 ASN 98 HB2 ASN 98 -14.482 4.963 -20.714 215 HB3 ASN 98 HB3 ASN 98 -15.489 4.640 -19.304 216 HD21 ASN 98 HD22 ASN 98 -17.038 3.152 -19.965 217 HD22 ASN 98 HD21 ASN 98 -17.953 3.308 -21.453 218 H ASP 99 H ASP 99 -16.634 6.007 -17.722 219 HA ASP 99 HA ASP 99 -18.860 7.925 -17.790 220 HB2 ASP 99 HB2 ASP 99 -19.689 6.099 -19.209 221 HB3 ASP 99 HB3 ASP 99 -19.380 4.934 -17.928 222 HA PRO 100 HA PRO 100 -16.717 7.198 -13.748 223 HB2 PRO 100 HB2 PRO 100 -18.127 9.792 -13.236 224 HB3 PRO 100 HB3 PRO 100 -16.506 9.225 -12.700 225 HG2 PRO 100 HG2 PRO 100 -16.733 10.857 -14.857 226 HG3 PRO 100 HG3 PRO 100 -15.599 9.468 -14.887 227 HD2 PRO 100 HD2 PRO 100 -18.342 9.700 -16.129 228 HD3 PRO 100 HD3 PRO 100 -16.861 8.934 -16.779 229 H ALA 101 H ALA 101 -20.190 7.981 -14.098 230 HA ALA 101 HA ALA 101 -20.980 7.308 -11.454 231 HB1 ALA 101 HB1 ALA 101 -22.309 8.699 -12.998 232 HB2 ALA 101 HB2 ALA 101 -22.570 7.284 -14.052 233 HB3 ALA 101 HB3 ALA 101 -23.250 7.314 -12.410 234 H ALA 102 H ALA 102 -20.223 5.175 -14.164 235 HA ALA 102 HA ALA 102 -22.028 3.063 -13.570 236 HB1 ALA 102 HB1 ALA 102 -19.354 3.020 -15.043 237 HB2 ALA 102 HB2 ALA 102 -20.637 1.800 -15.169 238 HB3 ALA 102 HB3 ALA 102 -20.930 3.448 -15.755 239 H PHE 103 H PHE 103 -18.899 3.773 -12.159 240 HA PHE 103 HA PHE 103 -18.906 1.224 -10.596 241 HB2 PHE 103 HB2 PHE 103 -16.366 1.278 -11.071 242 HB3 PHE 103 HB3 PHE 103 -17.458 0.767 -12.338 243 HD1 PHE 103 HD1 PHE 103 -16.089 4.039 -11.091 244 HD2 PHE 103 HD2 PHE 103 -16.935 1.527 -14.482 245 HE1 PHE 103 HE1 PHE 103 -15.395 5.853 -12.586 246 HE2 PHE 103 HE2 PHE 103 -16.172 3.331 -16.001 247 HZ PHE 103 HZ PHE 103 -15.438 5.513 -15.071 248 H LEU 104 H LEU 104 -19.613 4.111 -9.873 249 HA LEU 104 HA LEU 104 -17.733 4.980 -7.835 250 HB2 LEU 104 HB2 LEU 104 -20.595 5.495 -8.540 251 HB3 LEU 104 HB3 LEU 104 -20.095 5.850 -6.892 252 HG LEU 104 HG LEU 104 -18.667 6.988 -9.310 253 HD11 LEU 104 HD11 LEU 104 -19.906 9.064 -8.867 254 HD12 LEU 104 HD12 LEU 104 -21.045 7.748 -9.199 255 HD13 LEU 104 HD13 LEU 104 -20.780 8.278 -7.527 256 HD21 LEU 104 HD21 LEU 104 -17.272 7.060 -7.306 257 HD22 LEU 104 HD22 LEU 104 -17.886 8.679 -7.607 258 HD23 LEU 104 HD23 LEU 104 -18.618 7.685 -6.331 259 H ILE 105 H ILE 105 -17.595 4.442 -5.692 260 HA ILE 105 HA ILE 105 -18.802 1.900 -4.766 261 HB ILE 105 HB ILE 105 -16.939 3.828 -3.330 262 HG12 ILE 105 HG12 ILE 105 -16.320 1.122 -4.610 263 HG13 ILE 105 HG13 ILE 105 -15.991 2.667 -5.390 264 HG21 ILE 105 HG21 ILE 105 -17.970 1.018 -2.695 265 HG22 ILE 105 HG22 ILE 105 -16.699 1.849 -1.769 266 HG23 ILE 105 HG23 ILE 105 -18.328 2.495 -1.770 267 HD11 ILE 105 HD11 ILE 105 -14.730 1.632 -2.844 268 HD12 ILE 105 HD12 ILE 105 -13.952 2.038 -4.382 269 HD13 ILE 105 HD13 ILE 105 -14.636 3.331 -3.370 270 H GLN 106 H GLN 106 -20.738 1.817 -3.864 271 HA GLN 106 HA GLN 106 -21.843 4.079 -2.272 272 HB2 GLN 106 HB2 GLN 106 -23.223 2.667 -4.606 273 HB3 GLN 106 HB3 GLN 106 -24.037 3.742 -3.466 274 HG2 GLN 106 HG2 GLN 106 -22.488 5.596 -4.147 275 HG3 GLN 106 HG3 GLN 106 -21.808 4.543 -5.394 276 HE21 GLN 106 HE22 GLN 106 -23.643 7.134 -5.365 277 HE22 GLN 106 HE21 GLN 106 -24.874 6.688 -6.537 278 HA PRO 107 HA PRO 107 -23.285 0.667 0.272 279 HB2 PRO 107 HB2 PRO 107 -25.163 1.838 1.828 280 HB3 PRO 107 HB3 PRO 107 -23.442 2.307 1.891 281 HG2 PRO 107 HG2 PRO 107 -25.662 3.673 0.330 282 HG3 PRO 107 HG3 PRO 107 -24.482 4.421 1.456 283 HD2 PRO 107 HD2 PRO 107 -24.095 4.378 -1.245 284 HD3 PRO 107 HD3 PRO 107 -22.731 4.229 -0.099 285 H ASP 108 H ASP 108 -24.040 -0.082 -2.038 286 HA ASP 108 HA ASP 108 -26.654 -0.118 -2.883 287 HB2 ASP 108 HB2 ASP 108 -24.672 -0.922 -4.120 288 HB3 ASP 108 HB3 ASP 108 -24.596 -2.340 -3.072 289 H LEU 109 H LEU 109 -25.339 -1.852 -0.208 290 HA LEU 109 HA LEU 109 -27.968 -2.812 0.594 291 HB2 LEU 109 HB2 LEU 109 -25.386 -4.421 0.590 292 HB3 LEU 109 HB3 LEU 109 -26.764 -4.873 1.583 293 HG LEU 109 HG LEU 109 -26.820 -4.722 -1.467 294 HD11 LEU 109 HD11 LEU 109 -26.676 -7.120 0.404 295 HD12 LEU 109 HD12 LEU 109 -26.841 -7.174 -1.363 296 HD13 LEU 109 HD13 LEU 109 -25.366 -6.528 -0.634 297 HD21 LEU 109 HD21 LEU 109 -28.944 -5.995 -1.223 298 HD22 LEU 109 HD22 LEU 109 -28.847 -5.812 0.543 299 HD23 LEU 109 HD23 LEU 109 -29.066 -4.391 -0.503 300 HA PRO 110 HA PRO 110 -27.066 -0.838 4.455 301 HB2 PRO 110 HB2 PRO 110 -27.750 -3.416 5.830 302 HB3 PRO 110 HB3 PRO 110 -28.291 -1.738 6.179 303 HG2 PRO 110 HG2 PRO 110 -29.925 -3.446 4.838 304 HG3 PRO 110 HG3 PRO 110 -29.774 -1.737 4.311 305 HD2 PRO 110 HD2 PRO 110 -28.433 -4.185 3.151 306 HD3 PRO 110 HD3 PRO 110 -29.203 -2.802 2.313 307 H ALA 111 H ALA 111 -25.388 -0.463 5.832 308 HA ALA 111 HA ALA 111 -23.429 -2.560 6.555 309 HB1 ALA 111 HB1 ALA 111 -22.736 0.020 5.061 310 HB2 ALA 111 HB2 ALA 111 -21.557 -1.140 5.726 311 HB3 ALA 111 HB3 ALA 111 -22.632 -1.628 4.404 312 H ILE 112 H ILE 112 -21.915 -1.833 8.177 313 HA ILE 112 HA ILE 112 -21.892 -1.374 10.416 314 HB ILE 112 HB ILE 112 -20.186 -0.182 9.256 315 HG12 ILE 112 HG12 ILE 112 -19.470 1.441 10.888 316 HG13 ILE 112 HG13 ILE 112 -21.089 1.578 11.562 317 HG21 ILE 112 HG21 ILE 112 -21.963 2.290 9.204 318 HG22 ILE 112 HG22 ILE 112 -20.256 2.208 8.729 319 HG23 ILE 112 HG23 ILE 112 -21.464 1.314 7.806 320 HD11 ILE 112 HD11 ILE 112 -20.971 -0.742 12.392 321 HD12 ILE 112 HD12 ILE 112 -19.397 -0.966 11.585 322 HD13 ILE 112 HD13 ILE 112 -19.558 0.175 12.932 323 H LEU 113 H LEU 113 -24.121 -1.848 10.618 324 HA LEU 113 HA LEU 113 -25.545 0.241 12.163 325 HB2 LEU 113 HB2 LEU 113 -26.324 0.468 9.840 326 HB3 LEU 113 HB3 LEU 113 -26.696 -1.254 9.774 327 HG LEU 113 HG LEU 113 -28.466 -0.944 11.498 328 HD11 LEU 113 HD11 LEU 113 -29.220 1.374 12.035 329 HD12 LEU 113 HD12 LEU 113 -27.621 1.031 12.700 330 HD13 LEU 113 HD13 LEU 113 -27.772 2.016 11.226 331 HD21 LEU 113 HD21 LEU 113 -30.046 0.257 10.050 332 HD22 LEU 113 HD22 LEU 113 -28.694 0.929 9.108 333 HD23 LEU 113 HD23 LEU 113 -29.011 -0.821 9.101 334 H GLU 114 H GLU 114 -25.580 -3.177 11.065 335 HA GLU 114 HA GLU 114 -26.163 -4.156 13.764 336 HB2 GLU 114 HB2 GLU 114 -28.120 -5.446 13.089 337 HB3 GLU 114 HB3 GLU 114 -28.406 -3.718 12.937 338 HG2 GLU 114 HG2 GLU 114 -28.078 -3.873 10.471 339 HG3 GLU 114 HG3 GLU 114 -27.778 -5.607 10.625 Start of MODEL 9 1 H1 MET 71 H1 MET 71 -5.458 1.984 7.576 2 H2 MET 71 H2 MET 71 -6.963 2.581 7.795 3 H3 MET 71 H3 MET 71 -6.033 3.133 6.565 4 HA MET 71 HA MET 71 -5.476 3.468 9.449 5 HB2 MET 71 HB2 MET 71 -3.406 3.285 8.119 6 HB3 MET 71 HB3 MET 71 -3.903 4.653 7.119 7 HG2 MET 71 HG2 MET 71 -3.879 6.114 9.138 8 HG3 MET 71 HG3 MET 71 -3.438 4.724 10.135 9 HE1 MET 71 HE1 MET 71 -1.436 6.125 11.159 10 HE2 MET 71 HE2 MET 71 -0.202 6.948 10.176 11 HE3 MET 71 HE3 MET 71 -1.888 7.508 10.140 12 H SER 72 H SER 72 -5.589 5.925 6.790 13 HA SER 72 HA SER 72 -7.761 7.344 8.298 14 HB2 SER 72 HB2 SER 72 -6.409 9.396 8.011 15 HB3 SER 72 HB3 SER 72 -5.595 8.167 8.988 16 HG SER 72 HG SER 72 -4.204 9.123 7.377 17 H THR 73 H THR 73 -7.316 5.995 5.362 18 HA THR 73 HA THR 73 -8.940 8.043 3.905 19 HB THR 73 HB THR 73 -7.732 7.840 1.955 20 HG1 THR 73 HG1 THR 73 -5.717 6.735 1.882 21 HG21 THR 73 HG21 THR 73 -7.003 9.611 3.525 22 HG22 THR 73 HG22 THR 73 -5.731 8.531 4.133 23 HG23 THR 73 HG23 THR 73 -5.706 9.076 2.443 24 H VAL 74 H VAL 74 -9.993 7.192 1.977 25 HA VAL 74 HA VAL 74 -10.462 4.257 1.889 26 HB VAL 74 HB VAL 74 -12.933 4.670 1.742 27 HG11 VAL 74 HG11 VAL 74 -11.750 5.483 4.416 28 HG12 VAL 74 HG12 VAL 74 -13.344 4.769 4.112 29 HG13 VAL 74 HG13 VAL 74 -11.879 3.816 3.813 30 HG21 VAL 74 HG21 VAL 74 -12.934 7.105 1.266 31 HG22 VAL 74 HG22 VAL 74 -13.925 6.682 2.666 32 HG23 VAL 74 HG23 VAL 74 -12.329 7.418 2.911 33 HA PRO 75 HA PRO 75 -10.767 5.101 -2.533 34 HB2 PRO 75 HB2 PRO 75 -12.265 3.031 -3.451 35 HB3 PRO 75 HB3 PRO 75 -10.594 2.829 -2.855 36 HG2 PRO 75 HG2 PRO 75 -13.170 2.383 -1.319 37 HG3 PRO 75 HG3 PRO 75 -11.771 1.273 -1.470 38 HD2 PRO 75 HD2 PRO 75 -12.061 2.906 0.676 39 HD3 PRO 75 HD3 PRO 75 -10.447 2.593 -0.022 40 H LYS 76 H LYS 76 -12.268 5.568 -4.173 41 HA LYS 76 HA LYS 76 -15.011 6.459 -3.343 42 HB2 LYS 76 HB2 LYS 76 -13.455 8.306 -3.312 43 HB3 LYS 76 HB3 LYS 76 -13.082 8.088 -5.030 44 HG2 LYS 76 HG2 LYS 76 -15.410 8.611 -5.623 45 HG3 LYS 76 HG3 LYS 76 -15.863 8.668 -3.907 46 HD2 LYS 76 HD2 LYS 76 -14.351 10.614 -3.563 47 HD3 LYS 76 HD3 LYS 76 -13.825 10.503 -5.241 48 HE2 LYS 76 HE2 LYS 76 -15.385 12.277 -5.190 49 HE3 LYS 76 HE3 LYS 76 -16.197 10.927 -5.983 50 HZ1 LYS 76 HZ1 LYS 76 -17.631 12.018 -4.335 51 HZ2 LYS 76 HZ2 LYS 76 -17.368 10.483 -3.857 52 HZ3 LYS 76 HZ3 LYS 76 -16.583 11.722 -3.128 53 H TYR 77 H TYR 77 -12.996 4.971 -5.780 54 HA TYR 77 HA TYR 77 -15.388 4.351 -7.450 55 HB2 TYR 77 HB2 TYR 77 -12.676 5.090 -8.582 56 HB3 TYR 77 HB3 TYR 77 -14.187 4.868 -9.449 57 HD1 TYR 77 HD1 TYR 77 -12.254 7.100 -7.196 58 HD2 TYR 77 HD2 TYR 77 -15.731 6.736 -9.712 59 HE1 TYR 77 HE1 TYR 77 -12.585 9.564 -7.104 60 HE2 TYR 77 HE2 TYR 77 -16.027 9.221 -9.633 61 HH TYR 77 HH TYR 77 -15.233 11.220 -8.831 62 H ARG 78 H ARG 78 -15.343 2.286 -8.367 63 HA ARG 78 HA ARG 78 -12.876 0.680 -8.249 64 HB2 ARG 78 HB2 ARG 78 -14.120 0.292 -6.086 65 HB3 ARG 78 HB3 ARG 78 -15.475 -0.360 -7.024 66 HG2 ARG 78 HG2 ARG 78 -14.039 -2.158 -7.919 67 HG3 ARG 78 HG3 ARG 78 -12.621 -1.410 -7.175 68 HD2 ARG 78 HD2 ARG 78 -13.802 -1.750 -4.913 69 HD3 ARG 78 HD3 ARG 78 -14.917 -2.819 -5.800 70 HE ARG 78 HE ARG 78 -12.101 -3.414 -6.310 71 HH11 ARG 78 HH11 ARG 78 -14.597 -4.052 -3.927 72 HH12 ARG 78 HH12 ARG 78 -13.771 -5.457 -3.318 73 HH21 ARG 78 HH21 ARG 78 -11.113 -5.180 -5.500 74 HH22 ARG 78 HH22 ARG 78 -11.839 -6.092 -4.206 75 H ASP 79 H ASP 79 -12.580 -0.256 -10.101 76 HA ASP 79 HA ASP 79 -14.446 -0.309 -12.277 77 HB2 ASP 79 HB2 ASP 79 -12.087 -0.192 -12.686 78 HB3 ASP 79 HB3 ASP 79 -11.785 -1.663 -11.766 79 HA PRO 80 HA PRO 80 -16.392 -4.143 -10.747 80 HB2 PRO 80 HB2 PRO 80 -18.408 -4.426 -12.577 81 HB3 PRO 80 HB3 PRO 80 -18.427 -3.206 -11.268 82 HG2 PRO 80 HG2 PRO 80 -17.582 -2.816 -14.152 83 HG3 PRO 80 HG3 PRO 80 -18.708 -1.808 -13.184 84 HD2 PRO 80 HD2 PRO 80 -16.084 -1.141 -13.488 85 HD3 PRO 80 HD3 PRO 80 -16.946 -0.857 -11.942 86 H ALA 81 H ALA 81 -14.969 -3.695 -13.943 87 HA ALA 81 HA ALA 81 -15.346 -6.407 -14.865 88 HB1 ALA 81 HB1 ALA 81 -13.447 -4.222 -15.812 89 HB2 ALA 81 HB2 ALA 81 -13.902 -5.686 -16.711 90 HB3 ALA 81 HB3 ALA 81 -15.123 -4.445 -16.352 91 H THR 82 H THR 82 -12.638 -4.747 -13.243 92 HA THR 82 HA THR 82 -11.160 -7.360 -12.988 93 HB THR 82 HB THR 82 -9.142 -6.247 -13.161 94 HG1 THR 82 HG1 THR 82 -10.685 -3.892 -13.598 95 HG21 THR 82 HG21 THR 82 -10.885 -5.386 -15.489 96 HG22 THR 82 HG22 THR 82 -9.155 -5.797 -15.504 97 HG23 THR 82 HG23 THR 82 -10.363 -7.056 -15.157 98 H GLY 83 H GLY 83 -12.491 -4.722 -11.143 99 HA2 GLY 83 HA2 GLY 83 -12.720 -4.715 -8.837 100 HA3 GLY 83 HA3 GLY 83 -11.398 -5.864 -8.660 101 H LYS 84 H LYS 84 -10.228 -3.444 -10.643 102 HA LYS 84 HA LYS 84 -8.372 -2.329 -8.777 103 HB2 LYS 84 HB2 LYS 84 -9.332 -1.418 -11.520 104 HB3 LYS 84 HB3 LYS 84 -8.016 -0.637 -10.634 105 HG2 LYS 84 HG2 LYS 84 -6.772 -2.736 -10.509 106 HG3 LYS 84 HG3 LYS 84 -8.057 -3.597 -11.363 107 HD2 LYS 84 HD2 LYS 84 -7.762 -2.025 -13.312 108 HD3 LYS 84 HD3 LYS 84 -6.353 -1.327 -12.503 109 HE2 LYS 84 HE2 LYS 84 -6.687 -4.271 -13.287 110 HE3 LYS 84 HE3 LYS 84 -5.848 -3.066 -14.264 111 HZ1 LYS 84 HZ1 LYS 84 -5.003 -3.925 -11.541 112 HZ2 LYS 84 HZ2 LYS 84 -4.266 -4.314 -12.941 113 HZ3 LYS 84 HZ3 LYS 84 -4.254 -2.765 -12.428 114 H THR 85 H THR 85 -8.196 -0.311 -7.810 115 HA THR 85 HA THR 85 -10.761 1.188 -7.359 116 HB THR 85 HB THR 85 -9.855 1.515 -4.992 117 HG1 THR 85 HG1 THR 85 -7.748 0.789 -5.180 118 HG21 THR 85 HG21 THR 85 -10.585 -1.316 -5.828 119 HG22 THR 85 HG22 THR 85 -10.666 -0.650 -4.186 120 HG23 THR 85 HG23 THR 85 -11.721 0.010 -5.443 121 H TRP 86 H TRP 86 -10.694 3.340 -6.750 122 HA TRP 86 HA TRP 86 -8.156 4.814 -6.608 123 HB2 TRP 86 HB2 TRP 86 -8.611 4.754 -9.013 124 HB3 TRP 86 HB3 TRP 86 -10.235 5.375 -8.754 125 HD1 TRP 86 HD1 TRP 86 -6.662 6.599 -7.776 126 HE1 TRP 86 HE1 TRP 86 -6.523 9.138 -8.185 127 HE3 TRP 86 HE3 TRP 86 -11.318 7.350 -9.763 128 HZ2 TRP 86 HZ2 TRP 86 -8.281 11.242 -9.078 129 HZ3 TRP 86 HZ3 TRP 86 -12.100 9.648 -10.268 130 HH2 TRP 86 HH2 TRP 86 -10.646 11.590 -9.835 131 H SER 87 H SER 87 -8.591 7.148 -5.923 132 HA SER 87 HA SER 87 -10.997 7.275 -4.132 133 HB2 SER 87 HB2 SER 87 -9.429 8.013 -2.361 134 HB3 SER 87 HB3 SER 87 -8.983 6.427 -3.000 135 HG SER 87 HG SER 87 -7.142 7.776 -2.874 136 H GLY 88 H GLY 88 -9.903 9.026 -6.658 137 HA2 GLY 88 HA2 GLY 88 -10.721 11.161 -7.237 138 HA3 GLY 88 HA3 GLY 88 -11.168 11.463 -5.572 139 H ARG 89 H ARG 89 -7.898 10.413 -6.131 140 HA ARG 89 HA ARG 89 -6.817 13.200 -5.843 141 HB2 ARG 89 HB2 ARG 89 -5.901 10.652 -4.439 142 HB3 ARG 89 HB3 ARG 89 -5.056 12.206 -4.389 143 HG2 ARG 89 HG2 ARG 89 -7.055 13.259 -3.336 144 HG3 ARG 89 HG3 ARG 89 -7.880 11.698 -3.353 145 HD2 ARG 89 HD2 ARG 89 -6.988 12.043 -1.130 146 HD3 ARG 89 HD3 ARG 89 -6.117 10.733 -1.913 147 HE ARG 89 HE ARG 89 -4.160 11.966 -1.893 148 HH11 ARG 89 HH11 ARG 89 -6.740 14.174 -0.998 149 HH12 ARG 89 HH12 ARG 89 -5.625 15.419 -0.510 150 HH21 ARG 89 HH21 ARG 89 -2.804 13.599 -1.271 151 HH22 ARG 89 HH22 ARG 89 -3.449 15.092 -0.655 152 H GLY 90 H GLY 90 -5.018 13.710 -6.987 153 HA2 GLY 90 HA2 GLY 90 -3.515 13.635 -8.746 154 HA3 GLY 90 HA3 GLY 90 -3.456 11.878 -8.603 155 H ARG 91 H ARG 91 -3.329 12.213 -11.042 156 HA ARG 91 HA ARG 91 -5.663 12.866 -12.601 157 HB2 ARG 91 HB2 ARG 91 -3.424 12.897 -13.459 158 HB3 ARG 91 HB3 ARG 91 -3.261 11.139 -13.255 159 HG2 ARG 91 HG2 ARG 91 -5.062 10.797 -14.935 160 HG3 ARG 91 HG3 ARG 91 -5.263 12.556 -15.087 161 HD2 ARG 91 HD2 ARG 91 -2.932 12.749 -15.884 162 HD3 ARG 91 HD3 ARG 91 -2.726 10.991 -15.721 163 HE ARG 91 HE ARG 91 -4.993 11.483 -17.378 164 HH11 ARG 91 HH11 ARG 91 -1.518 11.854 -17.596 165 HH12 ARG 91 HH12 ARG 91 -1.512 11.691 -19.331 166 HH21 ARG 91 HH21 ARG 91 -4.920 11.276 -19.597 167 HH22 ARG 91 HH22 ARG 91 -3.395 11.374 -20.430 168 H GLN 92 H GLN 92 -7.375 11.605 -13.280 169 HA GLN 92 HA GLN 92 -8.182 9.292 -11.876 170 HB2 GLN 92 HB2 GLN 92 -9.906 9.046 -13.608 171 HB3 GLN 92 HB3 GLN 92 -9.797 10.698 -13.014 172 HG2 GLN 92 HG2 GLN 92 -8.792 11.470 -15.047 173 HG3 GLN 92 HG3 GLN 92 -8.376 9.845 -15.580 174 HE21 GLN 92 HE22 GLN 92 -10.058 8.431 -16.429 175 HE22 GLN 92 HE21 GLN 92 -11.525 9.195 -17.064 176 HA PRO 93 HA PRO 93 -6.246 5.934 -14.230 177 HB2 PRO 93 HB2 PRO 93 -7.902 3.847 -13.697 178 HB3 PRO 93 HB3 PRO 93 -6.828 4.555 -12.455 179 HG2 PRO 93 HG2 PRO 93 -9.770 5.111 -12.896 180 HG3 PRO 93 HG3 PRO 93 -8.933 4.757 -11.360 181 HD2 PRO 93 HD2 PRO 93 -9.501 7.308 -12.162 182 HD3 PRO 93 HD3 PRO 93 -8.015 6.916 -11.238 183 H ALA 94 H ALA 94 -6.667 4.557 -16.106 184 HA ALA 94 HA ALA 94 -8.195 5.864 -18.116 185 HB1 ALA 94 HB1 ALA 94 -6.128 4.594 -18.529 186 HB2 ALA 94 HB2 ALA 94 -6.950 3.079 -18.093 187 HB3 ALA 94 HB3 ALA 94 -7.456 3.983 -19.532 188 H TRP 95 H TRP 95 -8.973 2.929 -16.193 189 HA TRP 95 HA TRP 95 -11.254 2.108 -17.683 190 HB2 TRP 95 HB2 TRP 95 -11.914 0.938 -15.544 191 HB3 TRP 95 HB3 TRP 95 -10.352 0.534 -16.233 192 HD1 TRP 95 HD1 TRP 95 -8.297 0.755 -14.743 193 HE1 TRP 95 HE1 TRP 95 -7.913 1.304 -12.266 194 HE3 TRP 95 HE3 TRP 95 -12.959 2.628 -13.574 195 HZ2 TRP 95 HZ2 TRP 95 -9.449 2.257 -10.053 196 HZ3 TRP 95 HZ3 TRP 95 -13.442 3.321 -11.254 197 HH2 TRP 95 HH2 TRP 95 -11.728 3.105 -9.490 198 H LEU 96 H LEU 96 -10.975 4.795 -15.461 199 HA LEU 96 HA LEU 96 -13.762 5.024 -14.815 200 HB2 LEU 96 HB2 LEU 96 -11.616 6.107 -13.730 201 HB3 LEU 96 HB3 LEU 96 -11.826 7.341 -14.967 202 HG LEU 96 HG LEU 96 -14.272 7.548 -14.032 203 HD11 LEU 96 HD11 LEU 96 -12.927 6.229 -11.630 204 HD12 LEU 96 HD12 LEU 96 -14.593 6.840 -11.756 205 HD13 LEU 96 HD13 LEU 96 -14.101 5.408 -12.670 206 HD21 LEU 96 HD21 LEU 96 -11.876 8.347 -12.344 207 HD22 LEU 96 HD22 LEU 96 -12.583 9.275 -13.683 208 HD23 LEU 96 HD23 LEU 96 -13.510 9.022 -12.193 209 H GLY 97 H GLY 97 -12.124 5.624 -17.790 210 HA2 GLY 97 HA2 GLY 97 -12.687 6.698 -19.756 211 HA3 GLY 97 HA3 GLY 97 -14.343 6.279 -19.326 212 H ASN 98 H ASN 98 -15.564 8.030 -19.691 213 HA ASN 98 HA ASN 98 -14.789 10.681 -18.532 214 HB2 ASN 98 HB2 ASN 98 -16.113 10.098 -21.216 215 HB3 ASN 98 HB3 ASN 98 -15.925 11.703 -20.521 216 HD21 ASN 98 HD22 ASN 98 -14.413 9.426 -22.546 217 HD22 ASN 98 HD21 ASN 98 -12.838 10.204 -22.571 218 H ASP 99 H ASP 99 -16.676 8.317 -17.693 219 HA ASP 99 HA ASP 99 -18.864 10.042 -16.726 220 HB2 ASP 99 HB2 ASP 99 -19.726 9.256 -18.864 221 HB3 ASP 99 HB3 ASP 99 -19.391 7.581 -18.415 222 HA PRO 100 HA PRO 100 -16.845 7.239 -13.613 223 HB2 PRO 100 HB2 PRO 100 -17.987 9.382 -11.854 224 HB3 PRO 100 HB3 PRO 100 -16.420 8.505 -11.759 225 HG2 PRO 100 HG2 PRO 100 -16.528 11.006 -12.800 226 HG3 PRO 100 HG3 PRO 100 -15.526 9.738 -13.580 227 HD2 PRO 100 HD2 PRO 100 -18.273 10.715 -14.380 228 HD3 PRO 100 HD3 PRO 100 -16.854 10.343 -15.400 229 H ALA 101 H ALA 101 -20.243 8.174 -13.789 230 HA ALA 101 HA ALA 101 -21.275 7.095 -11.446 231 HB1 ALA 101 HB1 ALA 101 -22.551 7.213 -14.206 232 HB2 ALA 101 HB2 ALA 101 -23.418 7.069 -12.665 233 HB3 ALA 101 HB3 ALA 101 -22.494 8.539 -13.017 234 H ALA 102 H ALA 102 -20.310 5.234 -14.310 235 HA ALA 102 HA ALA 102 -21.721 2.817 -13.635 236 HB1 ALA 102 HB1 ALA 102 -20.989 3.371 -15.910 237 HB2 ALA 102 HB2 ALA 102 -19.287 3.315 -15.394 238 HB3 ALA 102 HB3 ALA 102 -20.266 1.838 -15.385 239 H PHE 103 H PHE 103 -18.707 4.115 -12.435 240 HA PHE 103 HA PHE 103 -18.116 1.590 -10.943 241 HB2 PHE 103 HB2 PHE 103 -15.657 2.903 -11.458 242 HB3 PHE 103 HB3 PHE 103 -16.206 1.343 -12.017 243 HD1 PHE 103 HD2 PHE 103 -16.439 4.987 -12.856 244 HD2 PHE 103 HD1 PHE 103 -16.445 0.942 -14.346 245 HE1 PHE 103 HE2 PHE 103 -16.610 5.830 -15.178 246 HE2 PHE 103 HE1 PHE 103 -16.540 1.803 -16.673 247 HZ PHE 103 HZ PHE 103 -16.627 4.248 -17.092 248 H LEU 104 H LEU 104 -18.805 4.877 -10.576 249 HA LEU 104 HA LEU 104 -17.413 5.611 -8.226 250 HB2 LEU 104 HB2 LEU 104 -19.873 6.335 -9.683 251 HB3 LEU 104 HB3 LEU 104 -20.082 6.506 -7.944 252 HG LEU 104 HG LEU 104 -17.827 7.755 -9.532 253 HD11 LEU 104 HD11 LEU 104 -20.389 8.996 -8.450 254 HD12 LEU 104 HD12 LEU 104 -19.058 9.881 -9.226 255 HD13 LEU 104 HD13 LEU 104 -20.001 8.715 -10.163 256 HD21 LEU 104 HD21 LEU 104 -17.179 7.525 -7.177 257 HD22 LEU 104 HD22 LEU 104 -17.594 9.205 -7.461 258 HD23 LEU 104 HD23 LEU 104 -18.757 8.143 -6.638 259 H ILE 105 H ILE 105 -17.499 4.941 -6.116 260 HA ILE 105 HA ILE 105 -19.153 2.621 -5.374 261 HB ILE 105 HB ILE 105 -17.393 4.380 -3.621 262 HG12 ILE 105 HG12 ILE 105 -16.855 1.591 -4.748 263 HG13 ILE 105 HG13 ILE 105 -16.216 3.069 -5.458 264 HG21 ILE 105 HG21 ILE 105 -19.203 3.238 -2.344 265 HG22 ILE 105 HG22 ILE 105 -18.846 1.713 -3.182 266 HG23 ILE 105 HG23 ILE 105 -17.680 2.418 -2.034 267 HD11 ILE 105 HD11 ILE 105 -14.483 2.236 -4.091 268 HD12 ILE 105 HD12 ILE 105 -15.179 3.638 -3.235 269 HD13 ILE 105 HD13 ILE 105 -15.564 1.983 -2.708 270 H GLN 106 H GLN 106 -21.189 2.729 -4.819 271 HA GLN 106 HA GLN 106 -22.433 5.199 -3.753 272 HB2 GLN 106 HB2 GLN 106 -24.105 5.193 -5.549 273 HB3 GLN 106 HB3 GLN 106 -22.481 5.375 -6.188 274 HG2 GLN 106 HG2 GLN 106 -22.569 2.790 -6.621 275 HG3 GLN 106 HG3 GLN 106 -24.305 2.957 -6.353 276 HE21 GLN 106 HE22 GLN 106 -21.587 3.781 -8.474 277 HE22 GLN 106 HE21 GLN 106 -22.580 4.278 -9.847 278 HA PRO 107 HA PRO 107 -24.559 2.325 -1.248 279 HB2 PRO 107 HB2 PRO 107 -26.952 3.541 -0.654 280 HB3 PRO 107 HB3 PRO 107 -25.369 4.091 -0.030 281 HG2 PRO 107 HG2 PRO 107 -26.899 5.166 -2.417 282 HG3 PRO 107 HG3 PRO 107 -26.127 6.087 -1.088 283 HD2 PRO 107 HD2 PRO 107 -24.889 5.728 -3.477 284 HD3 PRO 107 HD3 PRO 107 -23.962 5.696 -1.950 285 H ASP 108 H ASP 108 -25.556 0.434 -1.617 286 HA ASP 108 HA ASP 108 -27.056 -0.212 -3.867 287 HB2 ASP 108 HB2 ASP 108 -25.828 -1.800 -2.433 288 HB3 ASP 108 HB3 ASP 108 -27.014 -1.557 -1.150 289 H LEU 109 H LEU 109 -28.130 1.043 -0.778 290 HA LEU 109 HA LEU 109 -30.891 0.446 -0.920 291 HB2 LEU 109 HB2 LEU 109 -29.275 2.522 0.613 292 HB3 LEU 109 HB3 LEU 109 -31.006 2.423 0.765 293 HG LEU 109 HG LEU 109 -29.953 1.358 2.627 294 HD11 LEU 109 HD11 LEU 109 -31.115 -0.761 2.663 295 HD12 LEU 109 HD12 LEU 109 -32.113 0.440 1.836 296 HD13 LEU 109 HD13 LEU 109 -31.238 -0.790 0.896 297 HD21 LEU 109 HD21 LEU 109 -28.631 -0.636 2.545 298 HD22 LEU 109 HD22 LEU 109 -28.766 -0.743 0.786 299 HD23 LEU 109 HD23 LEU 109 -27.849 0.589 1.534 300 HA PRO 110 HA PRO 110 -32.459 3.615 -3.691 301 HB2 PRO 110 HB2 PRO 110 -34.978 4.063 -2.725 302 HB3 PRO 110 HB3 PRO 110 -34.500 2.555 -3.567 303 HG2 PRO 110 HG2 PRO 110 -34.654 3.052 -0.579 304 HG3 PRO 110 HG3 PRO 110 -35.330 1.675 -1.508 305 HD2 PRO 110 HD2 PRO 110 -32.942 1.503 -0.222 306 HD3 PRO 110 HD3 PRO 110 -33.199 0.709 -1.802 307 H ALA 111 H ALA 111 -32.917 5.804 -3.863 308 HA ALA 111 HA ALA 111 -31.758 7.577 -1.919 309 HB1 ALA 111 HB1 ALA 111 -31.745 7.970 -4.368 310 HB2 ALA 111 HB2 ALA 111 -33.513 8.149 -4.351 311 HB3 ALA 111 HB3 ALA 111 -32.486 9.327 -3.505 312 H ILE 112 H ILE 112 -32.884 9.514 -1.058 313 HA ILE 112 HA ILE 112 -35.333 8.829 0.357 314 HB ILE 112 HB ILE 112 -33.410 9.785 1.505 315 HG12 ILE 112 HG12 ILE 112 -34.472 11.420 2.918 316 HG13 ILE 112 HG13 ILE 112 -35.736 11.730 1.738 317 HG21 ILE 112 HG21 ILE 112 -32.742 12.112 1.347 318 HG22 ILE 112 HG22 ILE 112 -32.520 11.313 -0.207 319 HG23 ILE 112 HG23 ILE 112 -33.899 12.404 0.042 320 HD11 ILE 112 HD11 ILE 112 -36.645 9.470 2.055 321 HD12 ILE 112 HD12 ILE 112 -35.275 9.047 3.115 322 HD13 ILE 112 HD13 ILE 112 -36.459 10.267 3.625 323 H LEU 113 H LEU 113 -36.034 8.664 -1.930 324 HA LEU 113 HA LEU 113 -37.168 10.960 -3.285 325 HB2 LEU 113 HB2 LEU 113 -36.496 8.807 -4.354 326 HB3 LEU 113 HB3 LEU 113 -37.784 7.978 -3.482 327 HG LEU 113 HG LEU 113 -39.485 9.268 -4.745 328 HD11 LEU 113 HD11 LEU 113 -38.790 10.604 -6.722 329 HD12 LEU 113 HD12 LEU 113 -38.249 11.349 -5.219 330 HD13 LEU 113 HD13 LEU 113 -37.088 10.450 -6.225 331 HD21 LEU 113 HD21 LEU 113 -38.674 7.110 -5.605 332 HD22 LEU 113 HD22 LEU 113 -39.107 8.214 -6.924 333 HD23 LEU 113 HD23 LEU 113 -37.396 7.950 -6.520 334 H GLU 114 H GLU 114 -38.261 9.014 -0.637 335 HA GLU 114 HA GLU 114 -41.086 9.195 -0.745 336 HB2 GLU 114 HB2 GLU 114 -39.336 9.116 1.711 337 HB3 GLU 114 HB3 GLU 114 -41.075 8.793 1.602 338 HG2 GLU 114 HG2 GLU 114 -40.608 6.886 0.064 339 HG3 GLU 114 HG3 GLU 114 -38.875 7.153 0.268 Start of MODEL 10 1 H1 MET 71 H1 MET 71 -8.739 3.556 10.911 2 H2 MET 71 H2 MET 71 -7.234 2.942 10.659 3 H3 MET 71 H3 MET 71 -7.419 4.483 11.163 4 HA MET 71 HA MET 71 -6.849 4.446 8.812 5 HB2 MET 71 HB2 MET 71 -9.453 2.858 8.568 6 HB3 MET 71 HB3 MET 71 -8.634 3.632 7.210 7 HG2 MET 71 HG2 MET 71 -7.487 1.407 8.928 8 HG3 MET 71 HG3 MET 71 -8.115 1.269 7.293 9 HE1 MET 71 HE1 MET 71 -5.302 0.121 8.168 10 HE2 MET 71 HE2 MET 71 -5.946 -0.006 6.514 11 HE3 MET 71 HE3 MET 71 -4.298 0.597 6.780 12 H SER 72 H SER 72 -7.384 6.252 7.623 13 HA SER 72 HA SER 72 -9.661 7.929 8.640 14 HB2 SER 72 HB2 SER 72 -6.809 8.829 8.110 15 HB3 SER 72 HB3 SER 72 -8.138 9.815 8.752 16 HG SER 72 HG SER 72 -6.759 9.047 10.424 17 H THR 73 H THR 73 -8.987 6.432 5.917 18 HA THR 73 HA THR 73 -10.147 8.544 4.241 19 HB THR 73 HB THR 73 -7.904 8.987 3.959 20 HG1 THR 73 HG1 THR 73 -7.904 8.953 1.728 21 HG21 THR 73 HG21 THR 73 -6.818 6.778 4.330 22 HG22 THR 73 HG22 THR 73 -7.550 6.165 2.831 23 HG23 THR 73 HG23 THR 73 -6.336 7.459 2.773 24 H VAL 74 H VAL 74 -10.850 7.643 2.095 25 HA VAL 74 HA VAL 74 -11.445 4.744 2.026 26 HB VAL 74 HB VAL 74 -13.860 5.198 1.543 27 HG11 VAL 74 HG11 VAL 74 -14.579 5.347 3.839 28 HG12 VAL 74 HG12 VAL 74 -13.099 4.381 3.755 29 HG13 VAL 74 HG13 VAL 74 -13.034 6.060 4.334 30 HG21 VAL 74 HG21 VAL 74 -13.759 7.622 1.019 31 HG22 VAL 74 HG22 VAL 74 -14.923 7.256 2.295 32 HG23 VAL 74 HG23 VAL 74 -13.355 7.966 2.720 33 HA PRO 75 HA PRO 75 -11.097 5.468 -2.397 34 HB2 PRO 75 HB2 PRO 75 -12.549 3.428 -3.467 35 HB3 PRO 75 HB3 PRO 75 -10.969 3.179 -2.662 36 HG2 PRO 75 HG2 PRO 75 -13.733 2.854 -1.452 37 HG3 PRO 75 HG3 PRO 75 -12.359 1.703 -1.396 38 HD2 PRO 75 HD2 PRO 75 -12.879 3.401 0.655 39 HD3 PRO 75 HD3 PRO 75 -11.200 3.034 0.176 40 H LYS 76 H LYS 76 -12.283 6.045 -4.222 41 HA LYS 76 HA LYS 76 -15.097 7.071 -3.806 42 HB2 LYS 76 HB2 LYS 76 -12.860 8.203 -5.489 43 HB3 LYS 76 HB3 LYS 76 -14.579 8.614 -5.640 44 HG2 LYS 76 HG2 LYS 76 -14.604 9.393 -3.288 45 HG3 LYS 76 HG3 LYS 76 -12.887 9.000 -3.145 46 HD2 LYS 76 HD2 LYS 76 -13.123 11.378 -3.531 47 HD3 LYS 76 HD3 LYS 76 -12.360 10.644 -4.945 48 HE2 LYS 76 HE2 LYS 76 -14.503 10.688 -6.171 49 HE3 LYS 76 HE3 LYS 76 -15.326 11.328 -4.739 50 HZ1 LYS 76 HZ1 LYS 76 -13.932 13.333 -4.926 51 HZ2 LYS 76 HZ2 LYS 76 -13.179 12.739 -6.252 52 HZ3 LYS 76 HZ3 LYS 76 -14.769 13.099 -6.303 53 H TYR 77 H TYR 77 -13.022 5.065 -5.818 54 HA TYR 77 HA TYR 77 -15.388 4.369 -7.496 55 HB2 TYR 77 HB2 TYR 77 -12.619 4.860 -8.620 56 HB3 TYR 77 HB3 TYR 77 -14.121 4.657 -9.501 57 HD1 TYR 77 HD2 TYR 77 -12.005 6.954 -7.548 58 HD2 TYR 77 HD1 TYR 77 -15.675 6.584 -9.776 59 HE1 TYR 77 HE2 TYR 77 -12.186 9.434 -7.661 60 HE2 TYR 77 HE1 TYR 77 -15.818 9.072 -9.930 61 HH TYR 77 HH TYR 77 -14.869 11.095 -9.349 62 H ARG 78 H ARG 78 -15.453 2.272 -8.229 63 HA ARG 78 HA ARG 78 -13.127 0.454 -7.949 64 HB2 ARG 78 HB2 ARG 78 -14.440 0.205 -5.859 65 HB3 ARG 78 HB3 ARG 78 -15.893 -0.117 -6.806 66 HG2 ARG 78 HG2 ARG 78 -14.847 -2.181 -7.727 67 HG3 ARG 78 HG3 ARG 78 -13.351 -1.818 -6.861 68 HD2 ARG 78 HD2 ARG 78 -14.546 -3.478 -5.591 69 HD3 ARG 78 HD3 ARG 78 -14.611 -1.968 -4.700 70 HE ARG 78 HE ARG 78 -16.918 -1.783 -5.089 71 HH11 ARG 78 HH11 ARG 78 -15.756 -4.584 -6.870 72 HH12 ARG 78 HH12 ARG 78 -17.370 -5.144 -7.206 73 HH21 ARG 78 HH21 ARG 78 -18.947 -2.555 -5.592 74 HH22 ARG 78 HH22 ARG 78 -19.117 -4.024 -6.493 75 H ASP 79 H ASP 79 -12.827 -0.314 -9.921 76 HA ASP 79 HA ASP 79 -14.667 -0.211 -12.106 77 HB2 ASP 79 HB2 ASP 79 -12.257 -0.116 -12.371 78 HB3 ASP 79 HB3 ASP 79 -12.080 -1.729 -11.703 79 HA PRO 80 HA PRO 80 -16.821 -4.060 -10.737 80 HB2 PRO 80 HB2 PRO 80 -18.290 -3.666 -13.324 81 HB3 PRO 80 HB3 PRO 80 -18.926 -4.023 -11.689 82 HG2 PRO 80 HG2 PRO 80 -19.109 -1.525 -12.738 83 HG3 PRO 80 HG3 PRO 80 -18.672 -1.755 -11.008 84 HD2 PRO 80 HD2 PRO 80 -16.827 -1.257 -13.361 85 HD3 PRO 80 HD3 PRO 80 -16.850 -0.460 -11.768 86 H ALA 81 H ALA 81 -15.317 -3.460 -13.883 87 HA ALA 81 HA ALA 81 -15.512 -6.158 -14.873 88 HB1 ALA 81 HB1 ALA 81 -15.455 -4.140 -16.295 89 HB2 ALA 81 HB2 ALA 81 -13.800 -3.798 -15.754 90 HB3 ALA 81 HB3 ALA 81 -14.145 -5.264 -16.704 91 H THR 82 H THR 82 -13.198 -4.647 -12.727 92 HA THR 82 HA THR 82 -11.375 -7.043 -12.931 93 HB THR 82 HB THR 82 -9.469 -5.717 -12.746 94 HG1 THR 82 HG1 THR 82 -11.024 -3.432 -13.351 95 HG21 THR 82 HG21 THR 82 -9.326 -4.947 -15.016 96 HG22 THR 82 HG22 THR 82 -10.336 -6.414 -14.933 97 HG23 THR 82 HG23 THR 82 -11.096 -4.821 -15.145 98 H GLY 83 H GLY 83 -12.822 -4.602 -10.823 99 HA2 GLY 83 HA2 GLY 83 -12.918 -4.615 -8.493 100 HA3 GLY 83 HA3 GLY 83 -11.670 -5.858 -8.409 101 H LYS 84 H LYS 84 -10.491 -3.497 -10.501 102 HA LYS 84 HA LYS 84 -8.550 -2.347 -8.708 103 HB2 LYS 84 HB2 LYS 84 -9.580 -1.537 -11.461 104 HB3 LYS 84 HB3 LYS 84 -8.297 -0.661 -10.602 105 HG2 LYS 84 HG2 LYS 84 -6.934 -2.682 -10.439 106 HG3 LYS 84 HG3 LYS 84 -8.182 -3.639 -11.239 107 HD2 LYS 84 HD2 LYS 84 -7.985 -2.214 -13.278 108 HD3 LYS 84 HD3 LYS 84 -6.675 -1.301 -12.495 109 HE2 LYS 84 HE2 LYS 84 -5.365 -3.413 -12.265 110 HE3 LYS 84 HE3 LYS 84 -6.669 -4.302 -13.063 111 HZ1 LYS 84 HZ1 LYS 84 -4.904 -3.720 -14.637 112 HZ2 LYS 84 HZ2 LYS 84 -6.272 -2.940 -15.067 113 HZ3 LYS 84 HZ3 LYS 84 -5.059 -2.127 -14.328 114 H THR 85 H THR 85 -8.413 -0.307 -7.780 115 HA THR 85 HA THR 85 -10.960 1.233 -7.468 116 HB THR 85 HB THR 85 -10.311 1.544 -5.043 117 HG1 THR 85 HG1 THR 85 -8.884 0.009 -4.179 118 HG21 THR 85 HG21 THR 85 -12.087 -0.012 -5.677 119 HG22 THR 85 HG22 THR 85 -10.898 -1.322 -5.879 120 HG23 THR 85 HG23 THR 85 -11.188 -0.608 -4.278 121 H TRP 86 H TRP 86 -10.802 3.381 -6.664 122 HA TRP 86 HA TRP 86 -8.192 4.705 -6.551 123 HB2 TRP 86 HB2 TRP 86 -8.679 4.618 -8.978 124 HB3 TRP 86 HB3 TRP 86 -10.213 5.427 -8.712 125 HD1 TRP 86 HD1 TRP 86 -6.533 6.233 -7.711 126 HE1 TRP 86 HE1 TRP 86 -6.049 8.694 -8.226 127 HE3 TRP 86 HE3 TRP 86 -10.996 7.500 -9.879 128 HZ2 TRP 86 HZ2 TRP 86 -7.479 10.975 -9.281 129 HZ3 TRP 86 HZ3 TRP 86 -11.451 9.853 -10.525 130 HH2 TRP 86 HH2 TRP 86 -9.752 11.599 -10.157 131 H SER 87 H SER 87 -8.384 6.979 -5.854 132 HA SER 87 HA SER 87 -10.878 7.554 -4.278 133 HB2 SER 87 HB2 SER 87 -9.397 7.929 -2.332 134 HB3 SER 87 HB3 SER 87 -9.173 6.288 -2.976 135 HG SER 87 HG SER 87 -7.152 7.327 -2.593 136 H GLY 88 H GLY 88 -8.890 8.956 -6.542 137 HA2 GLY 88 HA2 GLY 88 -9.263 11.265 -7.174 138 HA3 GLY 88 HA3 GLY 88 -9.373 11.717 -5.483 139 H ARG 89 H ARG 89 -6.878 9.880 -5.024 140 HA ARG 89 HA ARG 89 -4.857 11.949 -5.209 141 HB2 ARG 89 HB2 ARG 89 -4.986 10.234 -3.412 142 HB3 ARG 89 HB3 ARG 89 -4.611 8.967 -4.587 143 HG2 ARG 89 HG2 ARG 89 -2.404 9.980 -5.019 144 HG3 ARG 89 HG3 ARG 89 -2.768 11.325 -3.926 145 HD2 ARG 89 HD2 ARG 89 -2.672 8.395 -3.094 146 HD3 ARG 89 HD3 ARG 89 -1.301 9.511 -2.976 147 HE ARG 89 HE ARG 89 -3.455 10.745 -1.641 148 HH11 ARG 89 HH21 ARG 89 -1.454 7.912 -1.151 149 HH12 ARG 89 HH22 ARG 89 -1.630 7.972 0.581 150 HH21 ARG 89 HH11 ARG 89 -3.648 10.763 0.573 151 HH22 ARG 89 HH12 ARG 89 -2.843 9.554 1.531 152 H GLY 90 H GLY 90 -3.301 12.317 -6.713 153 HA2 GLY 90 HA2 GLY 90 -2.009 12.125 -8.629 154 HA3 GLY 90 HA3 GLY 90 -2.282 10.388 -8.590 155 H ARG 91 H ARG 91 -2.236 10.696 -10.953 156 HA ARG 91 HA ARG 91 -4.334 12.053 -12.425 157 HB2 ARG 91 HB2 ARG 91 -2.569 9.755 -13.299 158 HB3 ARG 91 HB3 ARG 91 -3.601 10.786 -14.315 159 HG2 ARG 91 HG2 ARG 91 -2.285 12.782 -13.685 160 HG3 ARG 91 HG3 ARG 91 -1.209 11.767 -12.701 161 HD2 ARG 91 HD2 ARG 91 -0.595 10.465 -14.723 162 HD3 ARG 91 HD3 ARG 91 -1.660 11.499 -15.700 163 HE ARG 91 HE ARG 91 0.161 13.168 -14.286 164 HH11 ARG 91 HH11 ARG 91 0.312 10.853 -16.914 165 HH12 ARG 91 HH12 ARG 91 1.702 11.619 -17.632 166 HH21 ARG 91 HH21 ARG 91 1.935 14.095 -15.252 167 HH22 ARG 91 HH22 ARG 91 2.604 13.402 -16.699 168 H GLN 92 H GLN 92 -6.146 11.279 -13.435 169 HA GLN 92 HA GLN 92 -7.777 9.333 -12.152 170 HB2 GLN 92 HB2 GLN 92 -8.523 11.289 -13.556 171 HB3 GLN 92 HB3 GLN 92 -7.960 10.417 -14.984 172 HG2 GLN 92 HG2 GLN 92 -9.627 8.521 -13.978 173 HG3 GLN 92 HG3 GLN 92 -10.359 9.939 -13.241 174 HE21 GLN 92 HE22 GLN 92 -9.728 8.189 -16.241 175 HE22 GLN 92 HE21 GLN 92 -10.667 9.262 -17.280 176 HA PRO 93 HA PRO 93 -6.280 5.499 -14.193 177 HB2 PRO 93 HB2 PRO 93 -9.070 4.570 -13.593 178 HB3 PRO 93 HB3 PRO 93 -7.493 3.776 -13.274 179 HG2 PRO 93 HG2 PRO 93 -8.935 4.980 -11.288 180 HG3 PRO 93 HG3 PRO 93 -7.141 5.049 -11.325 181 HD2 PRO 93 HD2 PRO 93 -9.125 7.168 -12.136 182 HD3 PRO 93 HD3 PRO 93 -7.546 7.327 -11.304 183 H ALA 94 H ALA 94 -6.654 4.413 -16.184 184 HA ALA 94 HA ALA 94 -8.002 5.902 -18.229 185 HB1 ALA 94 HB1 ALA 94 -5.972 4.545 -18.596 186 HB2 ALA 94 HB2 ALA 94 -6.885 3.056 -18.249 187 HB3 ALA 94 HB3 ALA 94 -7.282 4.033 -19.676 188 H TRP 95 H TRP 95 -8.970 2.932 -16.452 189 HA TRP 95 HA TRP 95 -11.239 2.261 -18.030 190 HB2 TRP 95 HB2 TRP 95 -12.025 1.094 -15.909 191 HB3 TRP 95 HB3 TRP 95 -10.495 0.594 -16.602 192 HD1 TRP 95 HD1 TRP 95 -8.357 0.840 -15.171 193 HE1 TRP 95 HE1 TRP 95 -7.942 1.233 -12.672 194 HE3 TRP 95 HE3 TRP 95 -13.044 2.471 -13.800 195 HZ2 TRP 95 HZ2 TRP 95 -9.429 2.108 -10.377 196 HZ3 TRP 95 HZ3 TRP 95 -13.489 3.049 -11.442 197 HH2 TRP 95 HH2 TRP 95 -11.723 2.869 -9.739 198 H LEU 96 H LEU 96 -10.932 4.712 -15.526 199 HA LEU 96 HA LEU 96 -13.706 5.049 -15.001 200 HB2 LEU 96 HB2 LEU 96 -11.497 5.899 -13.768 201 HB3 LEU 96 HB3 LEU 96 -11.722 7.310 -14.798 202 HG LEU 96 HG LEU 96 -14.198 7.295 -13.844 203 HD11 LEU 96 HD11 LEU 96 -14.474 6.269 -11.717 204 HD12 LEU 96 HD12 LEU 96 -13.838 5.010 -12.780 205 HD13 LEU 96 HD13 LEU 96 -12.759 5.806 -11.618 206 HD21 LEU 96 HD21 LEU 96 -13.448 8.548 -11.825 207 HD22 LEU 96 HD22 LEU 96 -11.784 8.018 -12.146 208 HD23 LEU 96 HD23 LEU 96 -12.638 9.065 -13.305 209 H GLY 97 H GLY 97 -11.920 5.995 -17.781 210 HA2 GLY 97 HA2 GLY 97 -12.689 8.529 -18.479 211 HA3 GLY 97 HA3 GLY 97 -12.354 7.232 -19.634 212 H ASN 98 H ASN 98 -14.556 5.600 -19.291 213 HA ASN 98 HA ASN 98 -16.227 6.755 -21.225 214 HB2 ASN 98 HB2 ASN 98 -15.901 4.334 -20.937 215 HB3 ASN 98 HB3 ASN 98 -16.769 4.368 -19.404 216 HD21 ASN 98 HD22 ASN 98 -18.812 3.499 -19.684 217 HD22 ASN 98 HD21 ASN 98 -19.807 3.774 -21.103 218 H ASP 99 H ASP 99 -17.131 6.177 -17.791 219 HA ASP 99 HA ASP 99 -18.832 8.513 -17.592 220 HB2 ASP 99 HB2 ASP 99 -20.360 7.206 -18.972 221 HB3 ASP 99 HB3 ASP 99 -20.167 5.803 -17.922 222 HA PRO 100 HA PRO 100 -16.848 7.146 -13.638 223 HB2 PRO 100 HB2 PRO 100 -18.225 9.686 -12.829 224 HB3 PRO 100 HB3 PRO 100 -16.634 9.016 -12.328 225 HG2 PRO 100 HG2 PRO 100 -16.748 10.906 -14.269 226 HG3 PRO 100 HG3 PRO 100 -15.671 9.490 -14.458 227 HD2 PRO 100 HD2 PRO 100 -18.365 9.981 -15.714 228 HD3 PRO 100 HD3 PRO 100 -16.901 9.238 -16.419 229 H ALA 101 H ALA 101 -20.319 7.977 -13.927 230 HA ALA 101 HA ALA 101 -21.190 6.966 -11.444 231 HB1 ALA 101 HB1 ALA 101 -22.542 8.378 -12.945 232 HB2 ALA 101 HB2 ALA 101 -22.648 7.039 -14.112 233 HB3 ALA 101 HB3 ALA 101 -23.398 6.886 -12.514 234 H ALA 102 H ALA 102 -20.132 5.122 -14.253 235 HA ALA 102 HA ALA 102 -21.483 2.659 -13.632 236 HB1 ALA 102 HB1 ALA 102 -19.888 1.720 -15.259 237 HB2 ALA 102 HB2 ALA 102 -20.574 3.243 -15.857 238 HB3 ALA 102 HB3 ALA 102 -18.926 3.214 -15.196 239 H PHE 103 H PHE 103 -18.630 4.136 -12.251 240 HA PHE 103 HA PHE 103 -18.019 1.655 -10.690 241 HB2 PHE 103 HB2 PHE 103 -15.652 3.232 -11.091 242 HB3 PHE 103 HB3 PHE 103 -15.957 1.562 -11.509 243 HD1 PHE 103 HD1 PHE 103 -16.442 5.048 -12.720 244 HD2 PHE 103 HD2 PHE 103 -16.001 0.902 -13.811 245 HE1 PHE 103 HE1 PHE 103 -16.421 5.677 -15.103 246 HE2 PHE 103 HE2 PHE 103 -15.922 1.543 -16.202 247 HZ PHE 103 HZ PHE 103 -16.131 3.928 -16.862 248 H LEU 104 H LEU 104 -18.734 4.998 -10.464 249 HA LEU 104 HA LEU 104 -17.425 5.846 -8.145 250 HB2 LEU 104 HB2 LEU 104 -19.811 6.525 -9.715 251 HB3 LEU 104 HB3 LEU 104 -20.024 6.902 -8.009 252 HG LEU 104 HG LEU 104 -17.698 7.836 -9.700 253 HD11 LEU 104 HD11 LEU 104 -18.809 10.039 -9.693 254 HD12 LEU 104 HD12 LEU 104 -19.837 8.819 -10.454 255 HD13 LEU 104 HD13 LEU 104 -20.181 9.353 -8.794 256 HD21 LEU 104 HD21 LEU 104 -18.594 8.606 -6.877 257 HD22 LEU 104 HD22 LEU 104 -17.041 7.883 -7.355 258 HD23 LEU 104 HD23 LEU 104 -17.410 9.525 -7.829 259 H ILE 105 H ILE 105 -17.852 5.862 -5.989 260 HA ILE 105 HA ILE 105 -19.732 3.803 -4.874 261 HB ILE 105 HB ILE 105 -17.158 4.843 -3.631 262 HG12 ILE 105 HG12 ILE 105 -17.551 2.108 -4.926 263 HG13 ILE 105 HG13 ILE 105 -16.728 3.452 -5.719 264 HG21 ILE 105 HG21 ILE 105 -17.551 2.934 -2.069 265 HG22 ILE 105 HG22 ILE 105 -18.895 4.056 -2.030 266 HG23 ILE 105 HG23 ILE 105 -19.053 2.545 -2.944 267 HD11 ILE 105 HD11 ILE 105 -15.832 2.037 -3.190 268 HD12 ILE 105 HD12 ILE 105 -14.996 2.166 -4.742 269 HD13 ILE 105 HD13 ILE 105 -15.182 3.605 -3.724 270 H GLN 106 H GLN 106 -21.376 4.592 -3.765 271 HA GLN 106 HA GLN 106 -21.156 7.113 -2.216 272 HB2 GLN 106 HB2 GLN 106 -23.353 6.480 -4.242 273 HB3 GLN 106 HB3 GLN 106 -23.429 7.791 -3.063 274 HG2 GLN 106 HG2 GLN 106 -21.358 8.782 -4.058 275 HG3 GLN 106 HG3 GLN 106 -21.396 7.549 -5.324 276 HE21 GLN 106 HE22 GLN 106 -22.195 10.733 -4.828 277 HE22 GLN 106 HE21 GLN 106 -23.542 10.839 -5.953 278 HA PRO 107 HA PRO 107 -23.166 4.902 0.994 279 HB2 PRO 107 HB2 PRO 107 -25.087 7.222 1.261 280 HB3 PRO 107 HB3 PRO 107 -24.186 6.362 2.551 281 HG2 PRO 107 HG2 PRO 107 -23.263 8.726 1.640 282 HG3 PRO 107 HG3 PRO 107 -22.120 7.358 1.861 283 HD2 PRO 107 HD2 PRO 107 -23.410 8.328 -0.698 284 HD3 PRO 107 HD3 PRO 107 -21.707 7.884 -0.377 285 H ASP 108 H ASP 108 -25.209 5.787 -1.616 286 HA ASP 108 HA ASP 108 -27.610 4.536 -1.082 287 HB2 ASP 108 HB2 ASP 108 -27.080 5.924 -3.051 288 HB3 ASP 108 HB3 ASP 108 -26.072 4.627 -3.694 289 H LEU 109 H LEU 109 -24.518 3.009 -1.660 290 HA LEU 109 HA LEU 109 -25.668 0.420 -1.004 291 HB2 LEU 109 HB2 LEU 109 -25.543 0.430 -3.407 292 HB3 LEU 109 HB3 LEU 109 -23.850 0.904 -3.378 293 HG LEU 109 HG LEU 109 -24.617 -1.632 -1.920 294 HD11 LEU 109 HD11 LEU 109 -25.879 -1.843 -4.016 295 HD12 LEU 109 HD12 LEU 109 -24.427 -1.443 -4.958 296 HD13 LEU 109 HD13 LEU 109 -24.494 -2.947 -4.008 297 HD21 LEU 109 HD21 LEU 109 -22.469 -2.429 -2.797 298 HD22 LEU 109 HD22 LEU 109 -22.285 -0.962 -3.782 299 HD23 LEU 109 HD23 LEU 109 -22.230 -0.873 -2.012 300 HA PRO 110 HA PRO 110 -22.393 0.882 2.083 301 HB2 PRO 110 HB2 PRO 110 -22.675 -2.108 2.161 302 HB3 PRO 110 HB3 PRO 110 -22.521 -0.913 3.495 303 HG2 PRO 110 HG2 PRO 110 -24.950 -1.924 2.814 304 HG3 PRO 110 HG3 PRO 110 -24.757 -0.187 3.215 305 HD2 PRO 110 HD2 PRO 110 -24.967 -1.473 0.491 306 HD3 PRO 110 HD3 PRO 110 -25.696 0.042 1.090 307 H ALA 111 H ALA 111 -20.392 1.381 1.421 308 HA ALA 111 HA ALA 111 -19.062 0.549 -0.827 309 HB1 ALA 111 HB1 ALA 111 -17.059 1.581 0.193 310 HB2 ALA 111 HB2 ALA 111 -18.519 2.555 0.456 311 HB3 ALA 111 HB3 ALA 111 -17.857 1.568 1.782 312 H ILE 112 H ILE 112 -18.576 -1.429 -1.442 313 HA ILE 112 HA ILE 112 -18.465 -3.656 -1.296 314 HB ILE 112 HB ILE 112 -16.409 -2.814 -2.102 315 HG12 ILE 112 HG12 ILE 112 -15.612 -5.331 -0.644 316 HG13 ILE 112 HG13 ILE 112 -17.039 -5.385 -1.693 317 HG21 ILE 112 HG21 ILE 112 -14.328 -2.878 -0.783 318 HG22 ILE 112 HG22 ILE 112 -15.490 -1.714 -0.125 319 HG23 ILE 112 HG23 ILE 112 -15.263 -3.288 0.667 320 HD11 ILE 112 HD11 ILE 112 -15.034 -6.062 -2.915 321 HD12 ILE 112 HD12 ILE 112 -15.746 -4.583 -3.588 322 HD13 ILE 112 HD13 ILE 112 -14.275 -4.483 -2.585 323 H LEU 113 H LEU 113 -19.964 -3.170 0.535 324 HA LEU 113 HA LEU 113 -19.523 -5.296 2.581 325 HB2 LEU 113 HB2 LEU 113 -20.388 -2.421 3.011 326 HB3 LEU 113 HB3 LEU 113 -20.853 -3.665 4.160 327 HG LEU 113 HG LEU 113 -17.951 -3.034 3.463 328 HD11 LEU 113 HD11 LEU 113 -19.056 -1.128 4.564 329 HD12 LEU 113 HD12 LEU 113 -19.639 -2.199 5.860 330 HD13 LEU 113 HD13 LEU 113 -17.900 -1.905 5.650 331 HD21 LEU 113 HD21 LEU 113 -18.228 -5.313 4.340 332 HD22 LEU 113 HD22 LEU 113 -17.479 -4.281 5.556 333 HD23 LEU 113 HD23 LEU 113 -19.201 -4.698 5.697 334 H GLU 114 H GLU 114 -21.299 -4.551 -0.004 335 HA GLU 114 HA GLU 114 -23.594 -6.186 0.860 336 HB2 GLU 114 HB2 GLU 114 -24.367 -3.969 1.235 337 HB3 GLU 114 HB3 GLU 114 -23.943 -3.471 -0.416 338 HG2 GLU 114 HG2 GLU 114 -25.619 -5.025 -1.329 339 HG3 GLU 114 HG3 GLU 114 -25.937 -5.678 0.278 Start of MODEL 11 1 H1 MET 71 H1 MET 71 -9.923 8.388 13.968 2 H2 MET 71 H2 MET 71 -10.074 6.872 13.382 3 H3 MET 71 H3 MET 71 -8.632 7.628 13.296 4 HA MET 71 HA MET 71 -11.084 8.438 11.851 5 HB2 MET 71 HB2 MET 71 -8.262 9.613 11.713 6 HB3 MET 71 HB3 MET 71 -9.548 9.954 10.555 7 HG2 MET 71 HG2 MET 71 -10.959 10.883 12.360 8 HG3 MET 71 HG3 MET 71 -9.652 10.611 13.522 9 HE1 MET 71 HE1 MET 71 -9.733 14.516 13.181 10 HE2 MET 71 HE2 MET 71 -11.124 13.408 13.118 11 HE3 MET 71 HE3 MET 71 -9.817 13.131 14.292 12 H SER 72 H SER 72 -11.224 7.883 9.647 13 HA SER 72 HA SER 72 -9.167 6.172 8.395 14 HB2 SER 72 HB2 SER 72 -10.767 4.340 7.977 15 HB3 SER 72 HB3 SER 72 -10.450 4.565 9.704 16 HG SER 72 HG SER 72 -12.697 4.303 9.269 17 H THR 73 H THR 73 -9.879 5.503 6.161 18 HA THR 73 HA THR 73 -11.647 7.470 4.750 19 HB THR 73 HB THR 73 -10.093 7.897 3.109 20 HG1 THR 73 HG1 THR 73 -7.922 7.194 3.260 21 HG21 THR 73 HG21 THR 73 -8.678 8.440 5.740 22 HG22 THR 73 HG22 THR 73 -8.489 9.327 4.216 23 HG23 THR 73 HG23 THR 73 -10.031 9.396 5.085 24 H VAL 74 H VAL 74 -12.039 6.848 2.463 25 HA VAL 74 HA VAL 74 -11.725 3.995 1.815 26 HB VAL 74 HB VAL 74 -13.751 4.028 3.052 27 HG11 VAL 74 HG11 VAL 74 -15.782 5.235 2.402 28 HG12 VAL 74 HG12 VAL 74 -14.488 6.384 2.735 29 HG13 VAL 74 HG13 VAL 74 -14.924 6.007 1.055 30 HG21 VAL 74 HG21 VAL 74 -15.364 3.047 1.530 31 HG22 VAL 74 HG22 VAL 74 -14.443 3.624 0.138 32 HG23 VAL 74 HG23 VAL 74 -13.736 2.432 1.267 33 HA PRO 75 HA PRO 75 -11.191 5.602 -2.388 34 HB2 PRO 75 HB2 PRO 75 -12.548 3.033 -3.136 35 HB3 PRO 75 HB3 PRO 75 -11.066 3.777 -3.807 36 HG2 PRO 75 HG2 PRO 75 -10.897 1.709 -2.072 37 HG3 PRO 75 HG3 PRO 75 -9.778 3.103 -1.926 38 HD2 PRO 75 HD2 PRO 75 -12.279 2.529 -0.321 39 HD3 PRO 75 HD3 PRO 75 -10.689 3.117 0.234 40 H LYS 76 H LYS 76 -12.370 6.067 -4.301 41 HA LYS 76 HA LYS 76 -15.229 6.844 -3.808 42 HB2 LYS 76 HB2 LYS 76 -13.679 8.662 -3.984 43 HB3 LYS 76 HB3 LYS 76 -13.175 8.172 -5.610 44 HG2 LYS 76 HG2 LYS 76 -15.397 8.618 -6.486 45 HG3 LYS 76 HG3 LYS 76 -16.046 8.889 -4.860 46 HD2 LYS 76 HD2 LYS 76 -14.686 10.876 -4.564 47 HD3 LYS 76 HD3 LYS 76 -13.837 10.595 -6.097 48 HE2 LYS 76 HE2 LYS 76 -15.895 10.927 -7.373 49 HE3 LYS 76 HE3 LYS 76 -16.851 11.036 -5.883 50 HZ1 LYS 76 HZ1 LYS 76 -15.642 13.083 -5.324 51 HZ2 LYS 76 HZ2 LYS 76 -14.749 12.995 -6.697 52 HZ3 LYS 76 HZ3 LYS 76 -16.358 13.242 -6.782 53 H TYR 77 H TYR 77 -13.160 5.003 -5.953 54 HA TYR 77 HA TYR 77 -15.517 4.196 -7.614 55 HB2 TYR 77 HB2 TYR 77 -12.755 4.862 -8.690 56 HB3 TYR 77 HB3 TYR 77 -14.204 4.520 -9.615 57 HD1 TYR 77 HD2 TYR 77 -12.316 7.039 -7.708 58 HD2 TYR 77 HD1 TYR 77 -15.930 6.295 -9.927 59 HE1 TYR 77 HE2 TYR 77 -12.626 9.482 -8.032 60 HE2 TYR 77 HE1 TYR 77 -16.167 8.727 -10.358 61 HH TYR 77 HH TYR 77 -13.829 11.143 -9.109 62 H ARG 78 H ARG 78 -15.443 2.041 -8.361 63 HA ARG 78 HA ARG 78 -12.896 0.568 -8.163 64 HB2 ARG 78 HB2 ARG 78 -14.076 0.185 -5.998 65 HB3 ARG 78 HB3 ARG 78 -15.416 -0.565 -6.878 66 HG2 ARG 78 HG2 ARG 78 -13.904 -2.320 -7.744 67 HG3 ARG 78 HG3 ARG 78 -12.510 -1.471 -7.073 68 HD2 ARG 78 HD2 ARG 78 -13.597 -1.799 -4.764 69 HD3 ARG 78 HD3 ARG 78 -14.685 -2.947 -5.580 70 HE ARG 78 HE ARG 78 -11.854 -3.415 -6.162 71 HH11 ARG 78 HH11 ARG 78 -14.260 -4.123 -3.702 72 HH12 ARG 78 HH12 ARG 78 -13.361 -5.490 -3.099 73 HH21 ARG 78 HH21 ARG 78 -10.767 -5.122 -5.348 74 HH22 ARG 78 HH22 ARG 78 -11.424 -6.045 -4.022 75 H ASP 79 H ASP 79 -12.524 -0.232 -10.044 76 HA ASP 79 HA ASP 79 -14.252 -0.475 -12.258 77 HB2 ASP 79 HB2 ASP 79 -11.901 -0.311 -12.558 78 HB3 ASP 79 HB3 ASP 79 -11.588 -1.706 -11.532 79 HA PRO 80 HA PRO 80 -16.179 -4.376 -10.821 80 HB2 PRO 80 HB2 PRO 80 -18.064 -4.720 -12.778 81 HB3 PRO 80 HB3 PRO 80 -18.213 -3.510 -11.467 82 HG2 PRO 80 HG2 PRO 80 -17.183 -3.080 -14.293 83 HG3 PRO 80 HG3 PRO 80 -18.415 -2.120 -13.402 84 HD2 PRO 80 HD2 PRO 80 -15.824 -1.325 -13.517 85 HD3 PRO 80 HD3 PRO 80 -16.772 -1.139 -12.011 86 H ALA 81 H ALA 81 -14.579 -3.911 -13.933 87 HA ALA 81 HA ALA 81 -14.870 -6.618 -14.879 88 HB1 ALA 81 HB1 ALA 81 -12.895 -4.436 -15.671 89 HB2 ALA 81 HB2 ALA 81 -13.299 -5.891 -16.605 90 HB3 ALA 81 HB3 ALA 81 -14.532 -4.643 -16.332 91 H THR 82 H THR 82 -12.234 -4.928 -13.148 92 HA THR 82 HA THR 82 -10.847 -7.553 -12.666 93 HB THR 82 HB THR 82 -8.771 -6.556 -12.932 94 HG1 THR 82 HG1 THR 82 -10.235 -4.184 -13.504 95 HG21 THR 82 HG21 THR 82 -8.740 -6.383 -15.314 96 HG22 THR 82 HG22 THR 82 -9.996 -7.553 -14.835 97 HG23 THR 82 HG23 THR 82 -10.452 -5.914 -15.369 98 H GLY 83 H GLY 83 -12.173 -4.799 -11.067 99 HA2 GLY 83 HA2 GLY 83 -12.466 -4.707 -8.771 100 HA3 GLY 83 HA3 GLY 83 -11.117 -5.806 -8.508 101 H LYS 84 H LYS 84 -10.045 -3.346 -10.551 102 HA LYS 84 HA LYS 84 -8.227 -2.148 -8.686 103 HB2 LYS 84 HB2 LYS 84 -9.224 -1.172 -11.394 104 HB3 LYS 84 HB3 LYS 84 -7.878 -0.464 -10.488 105 HG2 LYS 84 HG2 LYS 84 -6.765 -2.712 -10.469 106 HG3 LYS 84 HG3 LYS 84 -8.039 -3.316 -11.539 107 HD2 LYS 84 HD2 LYS 84 -7.418 -1.406 -13.162 108 HD3 LYS 84 HD3 LYS 84 -6.029 -1.101 -12.113 109 HE2 LYS 84 HE2 LYS 84 -5.100 -2.473 -13.745 110 HE3 LYS 84 HE3 LYS 84 -5.450 -3.618 -12.454 111 HZ1 LYS 84 HZ1 LYS 84 -7.581 -4.133 -13.697 112 HZ2 LYS 84 HZ2 LYS 84 -7.081 -3.155 -14.908 113 HZ3 LYS 84 HZ3 LYS 84 -6.226 -4.498 -14.561 114 H THR 85 H THR 85 -8.175 -0.120 -7.696 115 HA THR 85 HA THR 85 -10.797 1.305 -7.380 116 HB THR 85 HB THR 85 -9.997 1.807 -5.038 117 HG1 THR 85 HG1 THR 85 -8.398 0.406 -4.212 118 HG21 THR 85 HG21 THR 85 -10.451 -1.128 -5.693 119 HG22 THR 85 HG22 THR 85 -10.624 -0.372 -4.094 120 HG23 THR 85 HG23 THR 85 -11.703 0.113 -5.408 121 H TRP 86 H TRP 86 -10.802 3.502 -6.822 122 HA TRP 86 HA TRP 86 -8.298 5.010 -6.725 123 HB2 TRP 86 HB2 TRP 86 -8.740 4.867 -9.158 124 HB3 TRP 86 HB3 TRP 86 -10.324 5.587 -8.920 125 HD1 TRP 86 HD1 TRP 86 -6.711 6.600 -7.844 126 HE1 TRP 86 HE1 TRP 86 -6.401 9.121 -8.241 127 HE3 TRP 86 HE3 TRP 86 -11.215 7.642 -10.028 128 HZ2 TRP 86 HZ2 TRP 86 -7.975 11.329 -9.210 129 HZ3 TRP 86 HZ3 TRP 86 -11.829 9.984 -10.571 130 HH2 TRP 86 HH2 TRP 86 -10.288 11.828 -10.065 131 H SER 87 H SER 87 -8.707 7.325 -6.084 132 HA SER 87 HA SER 87 -11.189 7.550 -4.408 133 HB2 SER 87 HB2 SER 87 -9.704 8.222 -2.552 134 HB3 SER 87 HB3 SER 87 -9.267 6.622 -3.171 135 HG SER 87 HG SER 87 -7.408 7.955 -2.912 136 H GLY 88 H GLY 88 -9.933 9.239 -6.887 137 HA2 GLY 88 HA2 GLY 88 -10.607 11.403 -7.513 138 HA3 GLY 88 HA3 GLY 88 -11.147 11.731 -5.880 139 H ARG 89 H ARG 89 -7.876 10.570 -6.240 140 HA ARG 89 HA ARG 89 -6.684 13.322 -6.066 141 HB2 ARG 89 HB2 ARG 89 -6.022 10.870 -4.371 142 HB3 ARG 89 HB3 ARG 89 -5.060 12.339 -4.398 143 HG2 ARG 89 HG2 ARG 89 -7.959 12.206 -3.438 144 HG3 ARG 89 HG3 ARG 89 -6.537 12.074 -2.414 145 HD2 ARG 89 HD2 ARG 89 -7.222 14.289 -2.172 146 HD3 ARG 89 HD3 ARG 89 -5.808 14.359 -3.232 147 HE ARG 89 HE ARG 89 -8.301 14.194 -4.722 148 HH11 ARG 89 HH11 ARG 89 -6.379 16.569 -3.006 149 HH12 ARG 89 HH12 ARG 89 -7.000 17.889 -3.963 150 HH21 ARG 89 HH21 ARG 89 -9.018 15.863 -5.909 151 HH22 ARG 89 HH22 ARG 89 -8.494 17.492 -5.573 152 H GLY 90 H GLY 90 -4.677 13.584 -6.996 153 HA2 GLY 90 HA2 GLY 90 -3.029 13.220 -8.599 154 HA3 GLY 90 HA3 GLY 90 -3.199 11.482 -8.354 155 H ARG 91 H ARG 91 -2.845 11.558 -10.757 156 HA ARG 91 HA ARG 91 -4.994 12.384 -12.563 157 HB2 ARG 91 HB2 ARG 91 -2.774 10.366 -12.989 158 HB3 ARG 91 HB3 ARG 91 -3.877 11.036 -14.209 159 HG2 ARG 91 HG2 ARG 91 -3.018 13.315 -13.768 160 HG3 ARG 91 HG3 ARG 91 -1.854 12.658 -12.609 161 HD2 ARG 91 HD2 ARG 91 -2.002 11.967 -15.576 162 HD3 ARG 91 HD3 ARG 91 -0.862 13.099 -14.861 163 HE ARG 91 HE ARG 91 -0.766 10.172 -14.782 164 HH11 ARG 91 HH12 ARG 91 0.566 13.052 -13.281 165 HH12 ARG 91 HH11 ARG 91 1.941 12.188 -12.642 166 HH21 ARG 91 HH21 ARG 91 1.009 9.145 -13.950 167 HH22 ARG 91 HH22 ARG 91 2.185 10.032 -13.026 168 H GLN 92 H GLN 92 -6.730 11.279 -13.298 169 HA GLN 92 HA GLN 92 -7.783 9.025 -11.904 170 HB2 GLN 92 HB2 GLN 92 -9.485 8.972 -13.656 171 HB3 GLN 92 HB3 GLN 92 -9.233 10.600 -13.027 172 HG2 GLN 92 HG2 GLN 92 -7.938 11.175 -15.084 173 HG3 GLN 92 HG3 GLN 92 -8.119 9.517 -15.659 174 HE21 GLN 92 HE22 GLN 92 -9.743 9.291 -17.188 175 HE22 GLN 92 HE21 GLN 92 -11.168 10.314 -17.242 176 HA PRO 93 HA PRO 93 -5.966 5.613 -14.230 177 HB2 PRO 93 HB2 PRO 93 -7.694 3.594 -13.731 178 HB3 PRO 93 HB3 PRO 93 -6.670 4.299 -12.448 179 HG2 PRO 93 HG2 PRO 93 -9.573 4.949 -13.070 180 HG3 PRO 93 HG3 PRO 93 -8.847 4.555 -11.481 181 HD2 PRO 93 HD2 PRO 93 -9.244 7.131 -12.301 182 HD3 PRO 93 HD3 PRO 93 -7.833 6.668 -11.307 183 H ALA 94 H ALA 94 -6.349 4.273 -16.133 184 HA ALA 94 HA ALA 94 -7.674 5.617 -18.208 185 HB1 ALA 94 HB1 ALA 94 -6.762 2.710 -18.076 186 HB2 ALA 94 HB2 ALA 94 -7.072 3.644 -19.558 187 HB3 ALA 94 HB3 ALA 94 -5.743 4.114 -18.483 188 H TRP 95 H TRP 95 -8.896 2.833 -16.295 189 HA TRP 95 HA TRP 95 -11.212 2.325 -17.904 190 HB2 TRP 95 HB2 TRP 95 -12.051 1.135 -15.871 191 HB3 TRP 95 HB3 TRP 95 -10.485 0.617 -16.461 192 HD1 TRP 95 HD1 TRP 95 -8.450 0.814 -14.898 193 HE1 TRP 95 HE1 TRP 95 -8.170 1.261 -12.382 194 HE3 TRP 95 HE3 TRP 95 -13.192 2.581 -13.819 195 HZ2 TRP 95 HZ2 TRP 95 -9.791 2.122 -10.197 196 HZ3 TRP 95 HZ3 TRP 95 -13.771 3.128 -11.500 197 HH2 TRP 95 HH2 TRP 95 -12.100 2.896 -9.688 198 H LEU 96 H LEU 96 -10.637 4.986 -15.736 199 HA LEU 96 HA LEU 96 -13.371 5.448 -15.012 200 HB2 LEU 96 HB2 LEU 96 -11.001 6.506 -14.172 201 HB3 LEU 96 HB3 LEU 96 -11.497 7.768 -15.283 202 HG LEU 96 HG LEU 96 -13.836 7.558 -14.002 203 HD11 LEU 96 HD11 LEU 96 -11.817 6.485 -11.966 204 HD12 LEU 96 HD12 LEU 96 -13.495 6.947 -11.625 205 HD13 LEU 96 HD13 LEU 96 -13.151 5.563 -12.677 206 HD21 LEU 96 HD21 LEU 96 -11.456 8.855 -12.661 207 HD22 LEU 96 HD22 LEU 96 -12.415 9.570 -13.979 208 HD23 LEU 96 HD23 LEU 96 -13.169 9.251 -12.409 209 H GLY 97 H GLY 97 -11.666 5.960 -17.967 210 HA2 GLY 97 HA2 GLY 97 -12.991 8.324 -18.931 211 HA3 GLY 97 HA3 GLY 97 -11.891 7.279 -19.823 212 H ASN 98 H ASN 98 -15.155 6.718 -18.418 213 HA ASN 98 HA ASN 98 -16.335 6.534 -21.126 214 HB2 ASN 98 HB2 ASN 98 -15.569 4.223 -20.707 215 HB3 ASN 98 HB3 ASN 98 -16.405 4.199 -19.157 216 HD21 ASN 98 HD22 ASN 98 -18.101 2.740 -19.453 217 HD22 ASN 98 HD21 ASN 98 -19.223 2.829 -20.800 218 H ASP 99 H ASP 99 -17.212 5.829 -17.689 219 HA ASP 99 HA ASP 99 -19.148 8.030 -17.647 220 HB2 ASP 99 HB2 ASP 99 -20.471 6.305 -18.739 221 HB3 ASP 99 HB3 ASP 99 -20.066 5.140 -17.480 222 HA PRO 100 HA PRO 100 -16.779 7.530 -13.730 223 HB2 PRO 100 HB2 PRO 100 -18.238 10.110 -13.278 224 HB3 PRO 100 HB3 PRO 100 -16.567 9.623 -12.821 225 HG2 PRO 100 HG2 PRO 100 -16.972 11.122 -15.044 226 HG3 PRO 100 HG3 PRO 100 -15.821 9.749 -15.083 227 HD2 PRO 100 HD2 PRO 100 -18.660 9.852 -16.109 228 HD3 PRO 100 HD3 PRO 100 -17.214 9.102 -16.847 229 H ALA 101 H ALA 101 -20.311 7.862 -14.007 230 HA ALA 101 HA ALA 101 -20.817 7.274 -11.217 231 HB1 ALA 101 HB1 ALA 101 -22.642 7.314 -13.649 232 HB2 ALA 101 HB2 ALA 101 -23.165 7.263 -11.950 233 HB3 ALA 101 HB3 ALA 101 -22.309 8.688 -12.566 234 H ALA 102 H ALA 102 -20.241 5.275 -14.054 235 HA ALA 102 HA ALA 102 -22.008 3.125 -13.530 236 HB1 ALA 102 HB1 ALA 102 -20.967 3.641 -15.711 237 HB2 ALA 102 HB2 ALA 102 -19.375 3.168 -15.072 238 HB3 ALA 102 HB3 ALA 102 -20.666 1.957 -15.240 239 H PHE 103 H PHE 103 -18.873 3.735 -12.182 240 HA PHE 103 HA PHE 103 -18.823 1.134 -10.684 241 HB2 PHE 103 HB2 PHE 103 -16.271 1.424 -11.019 242 HB3 PHE 103 HB3 PHE 103 -17.242 0.953 -12.403 243 HD1 PHE 103 HD2 PHE 103 -16.374 4.262 -10.798 244 HD2 PHE 103 HD1 PHE 103 -16.476 1.882 -14.396 245 HE1 PHE 103 HE2 PHE 103 -15.858 6.251 -12.090 246 HE2 PHE 103 HE1 PHE 103 -15.796 3.872 -15.708 247 HZ PHE 103 HZ PHE 103 -15.515 6.062 -14.590 248 H LEU 104 H LEU 104 -19.655 4.093 -10.060 249 HA LEU 104 HA LEU 104 -17.704 5.130 -8.188 250 HB2 LEU 104 HB2 LEU 104 -19.375 6.435 -9.599 251 HB3 LEU 104 HB3 LEU 104 -20.632 5.847 -8.525 252 HG LEU 104 HG LEU 104 -18.999 6.833 -6.665 253 HD11 LEU 104 HD11 LEU 104 -17.945 8.942 -7.358 254 HD12 LEU 104 HD12 LEU 104 -17.170 7.493 -7.967 255 HD13 LEU 104 HD13 LEU 104 -18.197 8.473 -9.056 256 HD21 LEU 104 HD21 LEU 104 -21.320 7.612 -7.092 257 HD22 LEU 104 HD22 LEU 104 -20.249 8.980 -6.770 258 HD23 LEU 104 HD23 LEU 104 -20.733 8.612 -8.442 259 H ILE 105 H ILE 105 -17.490 4.691 -6.067 260 HA ILE 105 HA ILE 105 -19.206 2.737 -4.712 261 HB ILE 105 HB ILE 105 -16.869 4.423 -3.732 262 HG12 ILE 105 HG12 ILE 105 -17.025 1.402 -4.145 263 HG13 ILE 105 HG13 ILE 105 -16.495 2.504 -5.418 264 HG21 ILE 105 HG21 ILE 105 -18.467 2.254 -2.260 265 HG22 ILE 105 HG22 ILE 105 -16.956 2.978 -1.680 266 HG23 ILE 105 HG23 ILE 105 -18.391 3.973 -1.823 267 HD11 ILE 105 HD11 ILE 105 -14.538 1.677 -4.302 268 HD12 ILE 105 HD12 ILE 105 -14.745 3.404 -3.943 269 HD13 ILE 105 HD13 ILE 105 -15.151 2.180 -2.716 270 H GLN 106 H GLN 106 -20.881 3.143 -3.472 271 HA GLN 106 HA GLN 106 -21.648 5.871 -2.638 272 HB2 GLN 106 HB2 GLN 106 -23.832 5.658 -3.804 273 HB3 GLN 106 HB3 GLN 106 -22.454 5.734 -4.898 274 HG2 GLN 106 HG2 GLN 106 -22.624 3.114 -4.982 275 HG3 GLN 106 HG3 GLN 106 -24.202 3.340 -4.235 276 HE21 GLN 106 HE22 GLN 106 -22.234 3.855 -7.150 277 HE22 GLN 106 HE21 GLN 106 -23.595 4.274 -8.191 278 HA PRO 107 HA PRO 107 -23.115 3.703 0.848 279 HB2 PRO 107 HB2 PRO 107 -25.204 5.213 1.802 280 HB3 PRO 107 HB3 PRO 107 -23.493 5.720 1.872 281 HG2 PRO 107 HG2 PRO 107 -25.564 6.488 -0.200 282 HG3 PRO 107 HG3 PRO 107 -24.435 7.561 0.685 283 HD2 PRO 107 HD2 PRO 107 -23.882 6.690 -1.821 284 HD3 PRO 107 HD3 PRO 107 -22.588 6.830 -0.600 285 H ASP 108 H ASP 108 -24.398 2.065 1.393 286 HA ASP 108 HA ASP 108 -26.035 0.761 -0.355 287 HB2 ASP 108 HB2 ASP 108 -24.854 -0.180 1.615 288 HB3 ASP 108 HB3 ASP 108 -26.068 0.547 2.674 289 H LEU 109 H LEU 109 -27.058 3.331 1.700 290 HA LEU 109 HA LEU 109 -29.819 3.159 0.756 291 HB2 LEU 109 HB2 LEU 109 -28.900 3.526 3.631 292 HB3 LEU 109 HB3 LEU 109 -30.518 3.968 3.106 293 HG LEU 109 HG LEU 109 -29.376 1.139 2.975 294 HD11 LEU 109 HD11 LEU 109 -31.380 2.392 4.902 295 HD12 LEU 109 HD12 LEU 109 -30.898 0.686 4.860 296 HD13 LEU 109 HD13 LEU 109 -29.707 1.923 5.286 297 HD21 LEU 109 HD21 LEU 109 -32.204 2.208 2.510 298 HD22 LEU 109 HD22 LEU 109 -31.142 1.478 1.284 299 HD23 LEU 109 HD23 LEU 109 -31.756 0.490 2.609 300 HA PRO 110 HA PRO 110 -29.087 7.418 -0.155 301 HB2 PRO 110 HB2 PRO 110 -31.585 8.537 -0.104 302 HB3 PRO 110 HB3 PRO 110 -31.043 7.381 -1.357 303 HG2 PRO 110 HG2 PRO 110 -32.650 6.781 1.147 304 HG3 PRO 110 HG3 PRO 110 -32.993 6.269 -0.538 305 HD2 PRO 110 HD2 PRO 110 -31.740 4.627 1.221 306 HD3 PRO 110 HD3 PRO 110 -31.257 4.665 -0.500 307 H ALA 111 H ALA 111 -28.854 9.473 0.684 308 HA ALA 111 HA ALA 111 -28.708 9.808 3.546 309 HB1 ALA 111 HB1 ALA 111 -28.500 11.827 1.262 310 HB2 ALA 111 HB2 ALA 111 -27.988 12.100 2.943 311 HB3 ALA 111 HB3 ALA 111 -27.158 10.885 1.954 312 H ILE 112 H ILE 112 -29.692 11.705 4.674 313 HA ILE 112 HA ILE 112 -32.612 11.852 4.278 314 HB ILE 112 HB ILE 112 -30.950 13.072 6.520 315 HG12 ILE 112 HG12 ILE 112 -32.451 10.408 6.515 316 HG13 ILE 112 HG13 ILE 112 -30.692 10.556 6.443 317 HG21 ILE 112 HG21 ILE 112 -33.909 12.298 6.409 318 HG22 ILE 112 HG22 ILE 112 -33.096 13.208 7.701 319 HG23 ILE 112 HG23 ILE 112 -33.333 13.956 6.132 320 HD11 ILE 112 HD11 ILE 112 -30.718 11.713 8.669 321 HD12 ILE 112 HD12 ILE 112 -32.456 11.330 8.789 322 HD13 ILE 112 HD13 ILE 112 -31.269 10.025 8.693 323 H LEU 113 H LEU 113 -31.890 12.708 2.257 324 HA LEU 113 HA LEU 113 -31.710 15.698 2.166 325 HB2 LEU 113 HB2 LEU 113 -29.554 14.457 1.839 326 HB3 LEU 113 HB3 LEU 113 -30.259 13.647 0.442 327 HG LEU 113 HG LEU 113 -30.380 15.797 -0.767 328 HD11 LEU 113 HD11 LEU 113 -29.242 17.806 0.180 329 HD12 LEU 113 HD12 LEU 113 -30.696 17.387 1.086 330 HD13 LEU 113 HD13 LEU 113 -29.096 16.971 1.744 331 HD21 LEU 113 HD21 LEU 113 -28.350 14.416 -0.897 332 HD22 LEU 113 HD22 LEU 113 -27.971 16.139 -1.035 333 HD23 LEU 113 HD23 LEU 113 -27.658 15.284 0.491 334 H GLU 114 H GLU 114 -33.530 13.023 1.153 335 HA GLU 114 HA GLU 114 -35.096 14.616 -0.777 336 HB2 GLU 114 HB2 GLU 114 -33.460 13.552 -2.156 337 HB3 GLU 114 HB3 GLU 114 -33.867 11.952 -1.505 338 HG2 GLU 114 HG2 GLU 114 -36.147 12.150 -2.466 339 HG3 GLU 114 HG3 GLU 114 -35.783 13.783 -3.025 Start of MODEL 12 1 H1 MET 71 H1 MET 71 -5.882 9.497 12.867 2 H2 MET 71 H2 MET 71 -6.215 7.921 12.584 3 H3 MET 71 H3 MET 71 -4.929 8.624 11.860 4 HA MET 71 HA MET 71 -7.768 9.274 11.402 5 HB2 MET 71 HB2 MET 71 -7.175 10.848 9.728 6 HB3 MET 71 HB3 MET 71 -6.317 11.284 11.192 7 HG2 MET 71 HG2 MET 71 -5.096 9.859 8.784 8 HG3 MET 71 HG3 MET 71 -5.013 11.583 9.109 9 HE1 MET 71 HE1 MET 71 -1.305 10.480 9.559 10 HE2 MET 71 HE2 MET 71 -2.493 9.831 8.408 11 HE3 MET 71 HE3 MET 71 -2.430 11.581 8.730 12 H SER 72 H SER 72 -8.538 8.824 9.186 13 HA SER 72 HA SER 72 -7.239 6.494 7.834 14 HB2 SER 72 HB2 SER 72 -10.110 6.561 8.861 15 HB3 SER 72 HB3 SER 72 -9.386 5.276 7.871 16 HG SER 72 HG SER 72 -9.366 4.755 10.111 17 H THR 73 H THR 73 -8.267 5.959 5.764 18 HA THR 73 HA THR 73 -9.985 8.010 4.507 19 HB THR 73 HB THR 73 -7.864 8.850 4.133 20 HG1 THR 73 HG1 THR 73 -8.074 9.094 1.917 21 HG21 THR 73 HG21 THR 73 -7.214 6.300 2.567 22 HG22 THR 73 HG22 THR 73 -6.208 7.767 2.618 23 HG23 THR 73 HG23 THR 73 -6.436 6.807 4.083 24 H VAL 74 H VAL 74 -10.643 7.267 2.247 25 HA VAL 74 HA VAL 74 -10.908 4.334 1.945 26 HB VAL 74 HB VAL 74 -13.380 4.558 1.602 27 HG11 VAL 74 HG11 VAL 74 -12.435 3.640 3.697 28 HG12 VAL 74 HG12 VAL 74 -12.487 5.265 4.420 29 HG13 VAL 74 HG13 VAL 74 -13.988 4.456 3.942 30 HG21 VAL 74 HG21 VAL 74 -13.566 7.009 1.289 31 HG22 VAL 74 HG22 VAL 74 -14.615 6.418 2.580 32 HG23 VAL 74 HG23 VAL 74 -13.110 7.259 2.986 33 HA PRO 75 HA PRO 75 -10.804 5.419 -2.402 34 HB2 PRO 75 HB2 PRO 75 -12.093 3.314 -3.587 35 HB3 PRO 75 HB3 PRO 75 -10.459 3.199 -2.868 36 HG2 PRO 75 HG2 PRO 75 -13.103 2.466 -1.588 37 HG3 PRO 75 HG3 PRO 75 -11.605 1.486 -1.661 38 HD2 PRO 75 HD2 PRO 75 -12.237 2.954 0.523 39 HD3 PRO 75 HD3 PRO 75 -10.547 2.825 -0.034 40 H LYS 76 H LYS 76 -12.082 5.900 -4.217 41 HA LYS 76 HA LYS 76 -14.896 6.814 -3.603 42 HB2 LYS 76 HB2 LYS 76 -12.821 8.195 -5.336 43 HB3 LYS 76 HB3 LYS 76 -14.529 8.614 -5.193 44 HG2 LYS 76 HG2 LYS 76 -14.213 8.964 -2.725 45 HG3 LYS 76 HG3 LYS 76 -12.498 8.609 -2.920 46 HD2 LYS 76 HD2 LYS 76 -12.673 10.988 -2.872 47 HD3 LYS 76 HD3 LYS 76 -12.309 10.524 -4.526 48 HE2 LYS 76 HE2 LYS 76 -13.918 12.257 -4.658 49 HE3 LYS 76 HE3 LYS 76 -14.764 10.776 -5.100 50 HZ1 LYS 76 HZ1 LYS 76 -15.708 10.743 -2.812 51 HZ2 LYS 76 HZ2 LYS 76 -14.875 12.093 -2.412 52 HZ3 LYS 76 HZ3 LYS 76 -16.050 12.164 -3.532 53 H TYR 77 H TYR 77 -12.925 4.995 -5.854 54 HA TYR 77 HA TYR 77 -15.365 4.345 -7.464 55 HB2 TYR 77 HB2 TYR 77 -12.603 4.930 -8.587 56 HB3 TYR 77 HB3 TYR 77 -14.046 4.542 -9.499 57 HD1 TYR 77 HD2 TYR 77 -12.481 7.135 -7.317 58 HD2 TYR 77 HD1 TYR 77 -15.450 6.300 -10.321 59 HE1 TYR 77 HE2 TYR 77 -12.887 9.573 -7.588 60 HE2 TYR 77 HE1 TYR 77 -15.744 8.737 -10.693 61 HH TYR 77 HH TYR 77 -14.044 11.216 -8.756 62 H ARG 78 H ARG 78 -15.405 2.270 -8.312 63 HA ARG 78 HA ARG 78 -13.088 0.455 -8.015 64 HB2 ARG 78 HB2 ARG 78 -14.366 0.248 -5.902 65 HB3 ARG 78 HB3 ARG 78 -15.827 -0.147 -6.819 66 HG2 ARG 78 HG2 ARG 78 -14.728 -2.211 -7.696 67 HG3 ARG 78 HG3 ARG 78 -13.218 -1.754 -6.898 68 HD2 ARG 78 HD2 ARG 78 -14.294 -3.435 -5.564 69 HD3 ARG 78 HD3 ARG 78 -14.366 -1.892 -4.686 70 HE ARG 78 HE ARG 78 -16.749 -2.306 -6.281 71 HH11 ARG 78 HH11 ARG 78 -15.321 -3.437 -3.289 72 HH12 ARG 78 HH12 ARG 78 -16.869 -3.810 -2.580 73 HH21 ARG 78 HH21 ARG 78 -18.693 -2.804 -5.322 74 HH22 ARG 78 HH22 ARG 78 -18.725 -3.470 -3.716 75 H ASP 79 H ASP 79 -12.800 -0.380 -9.947 76 HA ASP 79 HA ASP 79 -14.679 -0.434 -12.109 77 HB2 ASP 79 HB2 ASP 79 -12.287 -0.360 -12.471 78 HB3 ASP 79 HB3 ASP 79 -12.065 -1.890 -11.630 79 HA PRO 80 HA PRO 80 -16.715 -4.165 -10.487 80 HB2 PRO 80 HB2 PRO 80 -18.676 -4.524 -12.367 81 HB3 PRO 80 HB3 PRO 80 -18.711 -3.234 -11.127 82 HG2 PRO 80 HG2 PRO 80 -17.753 -3.029 -14.001 83 HG3 PRO 80 HG3 PRO 80 -18.902 -1.950 -13.140 84 HD2 PRO 80 HD2 PRO 80 -16.279 -1.307 -13.373 85 HD3 PRO 80 HD3 PRO 80 -17.172 -0.989 -11.847 86 H ALA 81 H ALA 81 -15.185 -4.026 -13.668 87 HA ALA 81 HA ALA 81 -15.594 -6.846 -14.287 88 HB1 ALA 81 HB1 ALA 81 -14.209 -6.307 -16.246 89 HB2 ALA 81 HB2 ALA 81 -15.494 -5.103 -16.022 90 HB3 ALA 81 HB3 ALA 81 -13.822 -4.716 -15.558 91 H THR 82 H THR 82 -13.018 -4.957 -12.784 92 HA THR 82 HA THR 82 -11.284 -7.406 -12.517 93 HB THR 82 HB THR 82 -9.404 -6.052 -12.696 94 HG1 THR 82 HG1 THR 82 -11.217 -3.924 -13.253 95 HG21 THR 82 HG21 THR 82 -9.468 -5.635 -15.046 96 HG22 THR 82 HG22 THR 82 -10.505 -7.036 -14.682 97 HG23 THR 82 HG23 THR 82 -11.237 -5.453 -15.036 98 H GLY 83 H GLY 83 -12.797 -4.839 -10.660 99 HA2 GLY 83 HA2 GLY 83 -12.847 -4.579 -8.369 100 HA3 GLY 83 HA3 GLY 83 -11.610 -5.820 -8.173 101 H LYS 84 H LYS 84 -10.470 -3.571 -10.418 102 HA LYS 84 HA LYS 84 -8.487 -2.309 -8.739 103 HB2 LYS 84 HB2 LYS 84 -9.587 -1.664 -11.506 104 HB3 LYS 84 HB3 LYS 84 -8.266 -0.763 -10.742 105 HG2 LYS 84 HG2 LYS 84 -6.942 -2.804 -10.501 106 HG3 LYS 84 HG3 LYS 84 -8.230 -3.773 -11.232 107 HD2 LYS 84 HD2 LYS 84 -8.041 -2.440 -13.336 108 HD3 LYS 84 HD3 LYS 84 -6.696 -1.528 -12.620 109 HE2 LYS 84 HE2 LYS 84 -5.425 -3.659 -12.329 110 HE3 LYS 84 HE3 LYS 84 -6.770 -4.555 -13.038 111 HZ1 LYS 84 HZ1 LYS 84 -5.154 -2.489 -14.466 112 HZ2 LYS 84 HZ2 LYS 84 -5.048 -4.101 -14.694 113 HZ3 LYS 84 HZ3 LYS 84 -6.408 -3.310 -15.120 114 H THR 85 H THR 85 -8.349 -0.204 -7.944 115 HA THR 85 HA THR 85 -10.919 1.317 -7.682 116 HB THR 85 HB THR 85 -10.243 1.798 -5.300 117 HG1 THR 85 HG1 THR 85 -8.750 0.346 -4.366 118 HG21 THR 85 HG21 THR 85 -11.964 0.107 -5.808 119 HG22 THR 85 HG22 THR 85 -10.709 -1.148 -5.890 120 HG23 THR 85 HG23 THR 85 -11.033 -0.301 -4.360 121 H TRP 86 H TRP 86 -10.769 3.500 -6.936 122 HA TRP 86 HA TRP 86 -8.159 4.831 -6.957 123 HB2 TRP 86 HB2 TRP 86 -8.873 4.859 -9.359 124 HB3 TRP 86 HB3 TRP 86 -10.328 5.725 -8.891 125 HD1 TRP 86 HD1 TRP 86 -6.504 6.251 -8.315 126 HE1 TRP 86 HE1 TRP 86 -5.963 8.751 -8.559 127 HE3 TRP 86 HE3 TRP 86 -11.173 7.990 -9.385 128 HZ2 TRP 86 HZ2 TRP 86 -7.361 11.177 -9.278 129 HZ3 TRP 86 HZ3 TRP 86 -11.578 10.416 -9.736 130 HH2 TRP 86 HH2 TRP 86 -9.702 12.009 -9.653 131 H SER 87 H SER 87 -8.294 7.051 -6.117 132 HA SER 87 HA SER 87 -10.635 7.425 -4.268 133 HB2 SER 87 HB2 SER 87 -7.740 7.707 -3.447 134 HB3 SER 87 HB3 SER 87 -9.186 7.600 -2.425 135 HG SER 87 HG SER 87 -7.898 5.626 -2.573 136 H GLY 88 H GLY 88 -9.567 9.112 -6.707 137 HA2 GLY 88 HA2 GLY 88 -10.045 11.362 -7.108 138 HA3 GLY 88 HA3 GLY 88 -10.220 11.648 -5.392 139 H ARG 89 H ARG 89 -7.205 10.180 -6.238 140 HA ARG 89 HA ARG 89 -5.744 12.787 -6.242 141 HB2 ARG 89 HB2 ARG 89 -6.068 11.923 -3.905 142 HB3 ARG 89 HB3 ARG 89 -5.189 10.455 -4.345 143 HG2 ARG 89 HG2 ARG 89 -3.150 11.775 -4.768 144 HG3 ARG 89 HG3 ARG 89 -4.045 13.284 -4.474 145 HD2 ARG 89 HD2 ARG 89 -4.471 12.573 -2.144 146 HD3 ARG 89 HD3 ARG 89 -3.600 11.053 -2.445 147 HE ARG 89 HE ARG 89 -1.873 13.206 -3.129 148 HH11 ARG 89 HH21 ARG 89 -3.265 11.875 -0.204 149 HH12 ARG 89 HH22 ARG 89 -1.958 12.452 0.795 150 HH21 ARG 89 HH11 ARG 89 -0.227 13.905 -1.803 151 HH22 ARG 89 HH12 ARG 89 -0.281 13.565 -0.099 152 H GLY 90 H GLY 90 -3.693 12.761 -7.166 153 HA2 GLY 90 HA2 GLY 90 -1.919 12.036 -8.483 154 HA3 GLY 90 HA3 GLY 90 -2.352 10.368 -8.120 155 H ARG 91 H ARG 91 -1.615 10.204 -10.427 156 HA ARG 91 HA ARG 91 -3.276 11.133 -12.651 157 HB2 ARG 91 HB2 ARG 91 -1.170 8.979 -12.480 158 HB3 ARG 91 HB3 ARG 91 -2.134 9.384 -13.907 159 HG2 ARG 91 HG2 ARG 91 -0.040 10.441 -14.166 160 HG3 ARG 91 HG3 ARG 91 -1.276 11.676 -13.927 161 HD2 ARG 91 HD2 ARG 91 -0.512 12.016 -11.610 162 HD3 ARG 91 HD3 ARG 91 0.641 10.669 -11.780 163 HE ARG 91 HE ARG 91 1.085 12.632 -13.834 164 HH11 ARG 91 HH11 ARG 91 1.664 12.250 -10.390 165 HH12 ARG 91 HH12 ARG 91 3.002 13.367 -10.408 166 HH21 ARG 91 HH21 ARG 91 2.832 14.008 -13.779 167 HH22 ARG 91 HH22 ARG 91 3.652 14.317 -12.278 168 H GLN 92 H GLN 92 -5.310 10.570 -12.855 169 HA GLN 92 HA GLN 92 -6.645 8.427 -11.633 170 HB2 GLN 92 HB2 GLN 92 -7.667 10.510 -12.476 171 HB3 GLN 92 HB3 GLN 92 -7.398 9.972 -14.139 172 HG2 GLN 92 HG2 GLN 92 -8.865 7.993 -13.693 173 HG3 GLN 92 HG3 GLN 92 -9.137 8.586 -12.053 174 HE21 GLN 92 HE22 GLN 92 -10.791 10.143 -11.774 175 HE22 GLN 92 HE21 GLN 92 -11.682 10.826 -13.132 176 HA PRO 93 HA PRO 93 -5.478 4.886 -14.274 177 HB2 PRO 93 HB2 PRO 93 -8.045 3.831 -13.120 178 HB3 PRO 93 HB3 PRO 93 -6.466 3.013 -13.334 179 HG2 PRO 93 HG2 PRO 93 -7.202 3.957 -10.900 180 HG3 PRO 93 HG3 PRO 93 -5.521 4.174 -11.487 181 HD2 PRO 93 HD2 PRO 93 -7.774 6.188 -11.460 182 HD3 PRO 93 HD3 PRO 93 -6.043 6.401 -11.065 183 H ALA 94 H ALA 94 -6.148 3.945 -16.236 184 HA ALA 94 HA ALA 94 -7.557 5.664 -17.928 185 HB1 ALA 94 HB1 ALA 94 -7.187 3.918 -19.632 186 HB2 ALA 94 HB2 ALA 94 -5.747 4.158 -18.624 187 HB3 ALA 94 HB3 ALA 94 -6.796 2.743 -18.355 188 H TRP 95 H TRP 95 -8.875 2.748 -16.324 189 HA TRP 95 HA TRP 95 -11.176 2.423 -17.960 190 HB2 TRP 95 HB2 TRP 95 -12.147 1.222 -15.978 191 HB3 TRP 95 HB3 TRP 95 -10.611 0.625 -16.578 192 HD1 TRP 95 HD1 TRP 95 -8.520 0.780 -15.021 193 HE1 TRP 95 HE1 TRP 95 -8.239 1.080 -12.492 194 HE3 TRP 95 HE3 TRP 95 -13.294 2.394 -13.820 195 HZ2 TRP 95 HZ2 TRP 95 -9.819 1.917 -10.270 196 HZ3 TRP 95 HZ3 TRP 95 -13.839 2.873 -11.471 197 HH2 TRP 95 HH2 TRP 95 -12.135 2.677 -9.712 198 H LEU 96 H LEU 96 -10.631 4.813 -15.439 199 HA LEU 96 HA LEU 96 -13.393 5.419 -14.983 200 HB2 LEU 96 HB2 LEU 96 -10.884 7.050 -14.505 201 HB3 LEU 96 HB3 LEU 96 -12.500 7.582 -14.076 202 HG LEU 96 HG LEU 96 -12.599 5.173 -12.862 203 HD11 LEU 96 HD11 LEU 96 -9.667 6.001 -12.693 204 HD12 LEU 96 HD12 LEU 96 -10.445 4.760 -11.694 205 HD13 LEU 96 HD13 LEU 96 -10.283 4.515 -13.438 206 HD21 LEU 96 HD21 LEU 96 -12.001 6.314 -10.791 207 HD22 LEU 96 HD22 LEU 96 -11.274 7.644 -11.717 208 HD23 LEU 96 HD23 LEU 96 -13.020 7.347 -11.803 209 H GLY 97 H GLY 97 -11.360 6.197 -17.670 210 HA2 GLY 97 HA2 GLY 97 -12.648 8.651 -18.502 211 HA3 GLY 97 HA3 GLY 97 -11.511 7.675 -19.430 212 H ASN 98 H ASN 98 -14.776 6.916 -18.124 213 HA ASN 98 HA ASN 98 -15.827 6.462 -20.887 214 HB2 ASN 98 HB2 ASN 98 -15.720 4.390 -18.643 215 HB3 ASN 98 HB3 ASN 98 -16.779 4.262 -20.046 216 HD21 ASN 98 HD22 ASN 98 -13.624 3.600 -18.856 217 HD22 ASN 98 HD21 ASN 98 -12.953 3.121 -20.416 218 H ASP 99 H ASP 99 -17.089 5.761 -17.586 219 HA ASP 99 HA ASP 99 -19.109 7.896 -17.743 220 HB2 ASP 99 HB2 ASP 99 -20.098 6.182 -19.174 221 HB3 ASP 99 HB3 ASP 99 -19.877 4.959 -17.925 222 HA PRO 100 HA PRO 100 -17.127 7.119 -13.635 223 HB2 PRO 100 HB2 PRO 100 -18.676 9.647 -13.182 224 HB3 PRO 100 HB3 PRO 100 -17.085 9.124 -12.516 225 HG2 PRO 100 HG2 PRO 100 -17.161 10.752 -14.683 226 HG3 PRO 100 HG3 PRO 100 -16.016 9.375 -14.627 227 HD2 PRO 100 HD2 PRO 100 -18.629 9.590 -16.106 228 HD3 PRO 100 HD3 PRO 100 -17.102 8.789 -16.591 229 H ALA 101 H ALA 101 -20.636 7.878 -13.905 230 HA ALA 101 HA ALA 101 -21.259 6.992 -11.296 231 HB1 ALA 101 HB1 ALA 101 -23.596 7.056 -12.103 232 HB2 ALA 101 HB2 ALA 101 -22.696 8.478 -12.659 233 HB3 ALA 101 HB3 ALA 101 -23.022 7.132 -13.782 234 H ALA 102 H ALA 102 -20.577 5.025 -14.102 235 HA ALA 102 HA ALA 102 -22.066 2.677 -13.306 236 HB1 ALA 102 HB1 ALA 102 -21.341 3.140 -15.626 237 HB2 ALA 102 HB2 ALA 102 -19.642 2.999 -15.131 238 HB3 ALA 102 HB3 ALA 102 -20.709 1.586 -15.048 239 H PHE 103 H PHE 103 -18.927 3.965 -12.342 240 HA PHE 103 HA PHE 103 -18.443 1.565 -10.628 241 HB2 PHE 103 HB2 PHE 103 -15.976 1.924 -11.238 242 HB3 PHE 103 HB3 PHE 103 -17.038 1.158 -12.397 243 HD1 PHE 103 HD2 PHE 103 -15.578 4.481 -11.523 244 HD2 PHE 103 HD1 PHE 103 -17.267 1.978 -14.591 245 HE1 PHE 103 HE2 PHE 103 -15.117 6.242 -13.204 246 HE2 PHE 103 HE1 PHE 103 -16.814 3.731 -16.275 247 HZ PHE 103 HZ PHE 103 -15.735 5.875 -15.587 248 H LEU 104 H LEU 104 -18.959 4.886 -10.446 249 HA LEU 104 HA LEU 104 -17.291 5.608 -8.227 250 HB2 LEU 104 HB2 LEU 104 -19.949 6.453 -9.335 251 HB3 LEU 104 HB3 LEU 104 -19.659 6.832 -7.645 252 HG LEU 104 HG LEU 104 -17.687 7.600 -9.806 253 HD11 LEU 104 HD11 LEU 104 -19.851 8.677 -10.288 254 HD12 LEU 104 HD12 LEU 104 -19.941 9.268 -8.615 255 HD13 LEU 104 HD13 LEU 104 -18.672 9.863 -9.704 256 HD21 LEU 104 HD21 LEU 104 -18.130 8.523 -6.918 257 HD22 LEU 104 HD22 LEU 104 -16.711 7.671 -7.560 258 HD23 LEU 104 HD23 LEU 104 -17.038 9.324 -8.059 259 H ILE 105 H ILE 105 -17.356 5.060 -6.076 260 HA ILE 105 HA ILE 105 -19.064 2.839 -5.195 261 HB ILE 105 HB ILE 105 -17.080 4.587 -3.684 262 HG12 ILE 105 HG12 ILE 105 -16.883 1.651 -4.510 263 HG13 ILE 105 HG13 ILE 105 -16.214 2.969 -5.468 264 HG21 ILE 105 HG21 ILE 105 -18.639 2.114 -2.756 265 HG22 ILE 105 HG22 ILE 105 -17.344 2.918 -1.845 266 HG23 ILE 105 HG23 ILE 105 -18.857 3.759 -2.137 267 HD11 ILE 105 HD11 ILE 105 -14.419 2.150 -4.163 268 HD12 ILE 105 HD12 ILE 105 -14.905 3.711 -3.466 269 HD13 ILE 105 HD13 ILE 105 -15.372 2.194 -2.666 270 H GLN 106 H GLN 106 -21.035 3.016 -4.386 271 HA GLN 106 HA GLN 106 -22.154 5.655 -3.548 272 HB2 GLN 106 HB2 GLN 106 -23.121 3.728 -5.704 273 HB3 GLN 106 HB3 GLN 106 -24.174 4.950 -5.004 274 HG2 GLN 106 HG2 GLN 106 -22.894 6.760 -5.875 275 HG3 GLN 106 HG3 GLN 106 -21.518 5.738 -6.255 276 HE21 GLN 106 HE22 GLN 106 -21.575 4.351 -8.118 277 HE22 GLN 106 HE21 GLN 106 -22.722 4.686 -9.418 278 HA PRO 107 HA PRO 107 -23.981 3.218 -0.367 279 HB2 PRO 107 HB2 PRO 107 -25.994 4.802 0.560 280 HB3 PRO 107 HB3 PRO 107 -24.279 5.304 0.621 281 HG2 PRO 107 HG2 PRO 107 -26.336 6.002 -1.499 282 HG3 PRO 107 HG3 PRO 107 -25.290 7.126 -0.576 283 HD2 PRO 107 HD2 PRO 107 -24.594 6.251 -3.048 284 HD3 PRO 107 HD3 PRO 107 -23.364 6.470 -1.763 285 H ASP 108 H ASP 108 -25.586 3.363 -3.278 286 HA ASP 108 HA ASP 108 -27.517 2.656 -4.211 287 HB2 ASP 108 HB2 ASP 108 -26.254 0.560 -3.698 288 HB3 ASP 108 HB3 ASP 108 -27.251 0.346 -2.260 289 H LEU 109 H LEU 109 -27.965 4.536 -2.128 290 HA LEU 109 HA LEU 109 -30.819 4.070 -1.477 291 HB2 LEU 109 HB2 LEU 109 -28.575 4.823 0.441 292 HB3 LEU 109 HB3 LEU 109 -30.256 5.158 0.815 293 HG LEU 109 HG LEU 109 -29.152 2.355 0.327 294 HD11 LEU 109 HD11 LEU 109 -28.226 3.378 2.367 295 HD12 LEU 109 HD12 LEU 109 -29.864 3.790 2.918 296 HD13 LEU 109 HD13 LEU 109 -29.375 2.091 2.763 297 HD21 LEU 109 HD21 LEU 109 -31.289 1.634 1.373 298 HD22 LEU 109 HD22 LEU 109 -31.838 3.324 1.399 299 HD23 LEU 109 HD23 LEU 109 -31.565 2.489 -0.147 300 HA PRO 110 HA PRO 110 -31.169 8.361 -2.702 301 HB2 PRO 110 HB2 PRO 110 -33.305 9.257 -1.237 302 HB3 PRO 110 HB3 PRO 110 -33.457 8.098 -2.592 303 HG2 PRO 110 HG2 PRO 110 -33.309 7.476 0.376 304 HG3 PRO 110 HG3 PRO 110 -34.494 6.864 -0.825 305 HD2 PRO 110 HD2 PRO 110 -32.319 5.417 -0.098 306 HD3 PRO 110 HD3 PRO 110 -32.902 5.411 -1.790 307 H ALA 111 H ALA 111 -30.806 10.484 -2.051 308 HA ALA 111 HA ALA 111 -29.892 11.087 0.708 309 HB1 ALA 111 HB1 ALA 111 -27.939 10.097 -0.461 310 HB2 ALA 111 HB2 ALA 111 -28.127 11.270 -1.782 311 HB3 ALA 111 HB3 ALA 111 -27.676 11.823 -0.150 312 H ILE 112 H ILE 112 -29.172 13.426 0.858 313 HA ILE 112 HA ILE 112 -31.196 15.138 -0.431 314 HB ILE 112 HB ILE 112 -29.314 15.849 1.854 315 HG12 ILE 112 HG12 ILE 112 -32.200 14.871 2.022 316 HG13 ILE 112 HG13 ILE 112 -30.795 13.899 2.466 317 HG21 ILE 112 HG21 ILE 112 -30.901 17.683 2.264 318 HG22 ILE 112 HG22 ILE 112 -30.449 17.760 0.567 319 HG23 ILE 112 HG23 ILE 112 -32.007 17.045 1.032 320 HD11 ILE 112 HD11 ILE 112 -31.774 16.399 3.889 321 HD12 ILE 112 HD12 ILE 112 -31.746 14.733 4.487 322 HD13 ILE 112 HD13 ILE 112 -30.216 15.596 4.225 323 H LEU 113 H LEU 113 -29.939 14.519 -2.288 324 HA LEU 113 HA LEU 113 -27.864 16.563 -3.052 325 HB2 LEU 113 HB2 LEU 113 -28.044 13.623 -3.830 326 HB3 LEU 113 HB3 LEU 113 -26.877 14.761 -4.495 327 HG LEU 113 HG LEU 113 -27.013 13.934 -1.565 328 HD11 LEU 113 HD11 LEU 113 -24.957 12.699 -2.053 329 HD12 LEU 113 HD12 LEU 113 -26.270 12.125 -3.093 330 HD13 LEU 113 HD13 LEU 113 -25.026 13.201 -3.760 331 HD21 LEU 113 HD21 LEU 113 -24.782 15.023 -1.415 332 HD22 LEU 113 HD22 LEU 113 -24.973 15.629 -3.078 333 HD23 LEU 113 HD23 LEU 113 -26.053 16.190 -1.784 334 H GLU 114 H GLU 114 -30.988 15.913 -3.593 335 HA GLU 114 HA GLU 114 -31.010 17.096 -6.294 336 HB2 GLU 114 HB2 GLU 114 -30.984 14.753 -6.738 337 HB3 GLU 114 HB3 GLU 114 -32.373 14.468 -5.669 338 HG2 GLU 114 HG2 GLU 114 -33.792 15.853 -7.163 339 HG3 GLU 114 HG3 GLU 114 -32.396 16.215 -8.179 Start of MODEL 13 1 H1 MET 71 H1 MET 71 -3.975 10.057 11.180 2 H2 MET 71 H2 MET 71 -4.639 11.504 11.559 3 H3 MET 71 H3 MET 71 -5.587 10.174 11.448 4 HA MET 71 HA MET 71 -5.885 11.557 9.504 5 HB2 MET 71 HB2 MET 71 -3.599 12.564 9.602 6 HB3 MET 71 HB3 MET 71 -2.915 11.057 8.995 7 HG2 MET 71 HG2 MET 71 -4.250 11.295 6.920 8 HG3 MET 71 HG3 MET 71 -4.934 12.806 7.519 9 HE1 MET 71 HE1 MET 71 -1.978 15.321 7.291 10 HE2 MET 71 HE2 MET 71 -3.719 15.095 7.562 11 HE3 MET 71 HE3 MET 71 -2.541 14.476 8.745 12 H SER 72 H SER 72 -6.880 10.437 7.871 13 HA SER 72 HA SER 72 -5.855 7.837 6.925 14 HB2 SER 72 HB2 SER 72 -7.986 6.692 7.387 15 HB3 SER 72 HB3 SER 72 -7.188 7.201 8.878 16 HG SER 72 HG SER 72 -9.427 7.704 8.910 17 H THR 73 H THR 73 -7.319 6.940 5.174 18 HA THR 73 HA THR 73 -8.895 8.945 3.684 19 HB THR 73 HB THR 73 -6.748 9.344 2.926 20 HG1 THR 73 HG1 THR 73 -7.207 9.140 0.728 21 HG21 THR 73 HG21 THR 73 -5.484 7.740 1.498 22 HG22 THR 73 HG22 THR 73 -5.620 7.142 3.157 23 HG23 THR 73 HG23 THR 73 -6.663 6.470 1.889 24 H VAL 74 H VAL 74 -9.939 7.874 1.716 25 HA VAL 74 HA VAL 74 -10.536 4.996 2.017 26 HB VAL 74 HB VAL 74 -12.997 5.423 1.882 27 HG11 VAL 74 HG11 VAL 74 -11.910 4.812 4.019 28 HG12 VAL 74 HG12 VAL 74 -11.726 6.536 4.407 29 HG13 VAL 74 HG13 VAL 74 -13.345 5.828 4.243 30 HG21 VAL 74 HG21 VAL 74 -12.334 8.289 2.676 31 HG22 VAL 74 HG22 VAL 74 -13.006 7.775 1.115 32 HG23 VAL 74 HG23 VAL 74 -13.946 7.549 2.596 33 HA PRO 75 HA PRO 75 -10.840 5.334 -2.452 34 HB2 PRO 75 HB2 PRO 75 -12.332 3.164 -3.132 35 HB3 PRO 75 HB3 PRO 75 -10.661 3.030 -2.502 36 HG2 PRO 75 HG2 PRO 75 -13.253 2.774 -0.951 37 HG3 PRO 75 HG3 PRO 75 -11.851 1.656 -0.952 38 HD2 PRO 75 HD2 PRO 75 -12.173 3.538 0.978 39 HD3 PRO 75 HD3 PRO 75 -10.550 3.138 0.345 40 H LYS 76 H LYS 76 -12.295 5.705 -4.139 41 HA LYS 76 HA LYS 76 -15.100 6.590 -3.450 42 HB2 LYS 76 HB2 LYS 76 -13.064 8.147 -5.058 43 HB3 LYS 76 HB3 LYS 76 -14.808 8.456 -4.993 44 HG2 LYS 76 HG2 LYS 76 -14.664 8.819 -2.542 45 HG3 LYS 76 HG3 LYS 76 -12.926 8.528 -2.608 46 HD2 LYS 76 HD2 LYS 76 -13.298 10.915 -2.533 47 HD3 LYS 76 HD3 LYS 76 -12.608 10.465 -4.083 48 HE2 LYS 76 HE2 LYS 76 -14.244 12.115 -4.533 49 HE3 LYS 76 HE3 LYS 76 -14.906 10.596 -5.121 50 HZ1 LYS 76 HZ1 LYS 76 -16.544 11.905 -3.842 51 HZ2 LYS 76 HZ2 LYS 76 -16.279 10.496 -3.069 52 HZ3 LYS 76 HZ3 LYS 76 -15.606 11.882 -2.513 53 H TYR 77 H TYR 77 -12.980 5.018 -5.758 54 HA TYR 77 HA TYR 77 -15.333 4.382 -7.493 55 HB2 TYR 77 HB2 TYR 77 -12.571 5.128 -8.502 56 HB3 TYR 77 HB3 TYR 77 -14.019 4.860 -9.456 57 HD1 TYR 77 HD1 TYR 77 -12.284 7.166 -7.127 58 HD2 TYR 77 HD2 TYR 77 -15.550 6.695 -9.898 59 HE1 TYR 77 HE1 TYR 77 -12.691 9.627 -7.071 60 HE2 TYR 77 HE2 TYR 77 -15.889 9.172 -9.889 61 HH TYR 77 HH TYR 77 -15.237 11.202 -9.015 62 H ARG 78 H ARG 78 -15.265 2.330 -8.438 63 HA ARG 78 HA ARG 78 -12.851 0.663 -8.159 64 HB2 ARG 78 HB2 ARG 78 -14.241 0.348 -6.076 65 HB3 ARG 78 HB3 ARG 78 -15.556 -0.271 -7.088 66 HG2 ARG 78 HG2 ARG 78 -14.112 -2.128 -7.867 67 HG3 ARG 78 HG3 ARG 78 -12.738 -1.425 -7.008 68 HD2 ARG 78 HD2 ARG 78 -14.141 -1.682 -4.858 69 HD3 ARG 78 HD3 ARG 78 -15.222 -2.700 -5.833 70 HE ARG 78 HE ARG 78 -12.412 -3.470 -6.071 71 HH11 ARG 78 HH11 ARG 78 -15.149 -3.911 -3.905 72 HH12 ARG 78 HH12 ARG 78 -14.481 -5.373 -3.235 73 HH21 ARG 78 HH21 ARG 78 -11.621 -5.297 -5.159 74 HH22 ARG 78 HH22 ARG 78 -12.524 -6.135 -3.936 75 H ASP 79 H ASP 79 -12.470 -0.237 -10.025 76 HA ASP 79 HA ASP 79 -14.236 -0.253 -12.283 77 HB2 ASP 79 HB2 ASP 79 -11.873 -0.158 -12.594 78 HB3 ASP 79 HB3 ASP 79 -11.604 -1.621 -11.652 79 HA PRO 80 HA PRO 80 -16.285 -4.090 -10.846 80 HB2 PRO 80 HB2 PRO 80 -18.212 -4.363 -12.774 81 HB3 PRO 80 HB3 PRO 80 -18.297 -3.153 -11.458 82 HG2 PRO 80 HG2 PRO 80 -17.296 -2.742 -14.292 83 HG3 PRO 80 HG3 PRO 80 -18.479 -1.748 -13.380 84 HD2 PRO 80 HD2 PRO 80 -15.854 -1.059 -13.538 85 HD3 PRO 80 HD3 PRO 80 -16.792 -0.812 -12.032 86 H ALA 81 H ALA 81 -14.674 -3.640 -13.943 87 HA ALA 81 HA ALA 81 -15.009 -6.345 -14.898 88 HB1 ALA 81 HB1 ALA 81 -13.464 -5.615 -16.651 89 HB2 ALA 81 HB2 ALA 81 -14.700 -4.372 -16.358 90 HB3 ALA 81 HB3 ALA 81 -13.056 -4.154 -15.726 91 H THR 82 H THR 82 -12.443 -4.715 -13.043 92 HA THR 82 HA THR 82 -10.984 -7.333 -12.727 93 HB THR 82 HB THR 82 -8.975 -6.181 -12.593 94 HG1 THR 82 HG1 THR 82 -10.469 -3.829 -13.201 95 HG21 THR 82 HG21 THR 82 -8.718 -5.606 -14.908 96 HG22 THR 82 HG22 THR 82 -9.912 -6.919 -14.761 97 HG23 THR 82 HG23 THR 82 -10.452 -5.258 -15.082 98 H GLY 83 H GLY 83 -12.489 -4.737 -10.924 99 HA2 GLY 83 HA2 GLY 83 -12.922 -4.724 -8.647 100 HA3 GLY 83 HA3 GLY 83 -11.677 -5.941 -8.359 101 H LYS 84 H LYS 84 -10.196 -3.621 -10.243 102 HA LYS 84 HA LYS 84 -8.526 -2.573 -8.148 103 HB2 LYS 84 HB2 LYS 84 -8.925 -1.810 -11.073 104 HB3 LYS 84 HB3 LYS 84 -7.726 -1.043 -10.015 105 HG2 LYS 84 HG2 LYS 84 -6.687 -3.230 -9.551 106 HG3 LYS 84 HG3 LYS 84 -7.903 -4.042 -10.537 107 HD2 LYS 84 HD2 LYS 84 -6.029 -3.860 -11.947 108 HD3 LYS 84 HD3 LYS 84 -7.163 -2.609 -12.496 109 HE2 LYS 84 HE2 LYS 84 -5.861 -0.882 -11.267 110 HE3 LYS 84 HE3 LYS 84 -4.784 -2.131 -10.635 111 HZ1 LYS 84 HZ1 LYS 84 -5.074 -1.463 -13.530 112 HZ2 LYS 84 HZ2 LYS 84 -3.824 -1.014 -12.578 113 HZ3 LYS 84 HZ3 LYS 84 -4.063 -2.593 -12.918 114 H THR 85 H THR 85 -8.329 -0.511 -7.288 115 HA THR 85 HA THR 85 -10.845 1.117 -7.221 116 HB THR 85 HB THR 85 -10.145 1.622 -4.840 117 HG1 THR 85 HG1 THR 85 -8.690 0.141 -3.901 118 HG21 THR 85 HG21 THR 85 -11.930 0.017 -5.279 119 HG22 THR 85 HG22 THR 85 -10.739 -1.295 -5.484 120 HG23 THR 85 HG23 THR 85 -10.947 -0.506 -3.907 121 H TRP 86 H TRP 86 -10.730 3.308 -6.593 122 HA TRP 86 HA TRP 86 -8.151 4.728 -6.585 123 HB2 TRP 86 HB2 TRP 86 -8.641 4.563 -8.969 124 HB3 TRP 86 HB3 TRP 86 -10.265 5.181 -8.722 125 HD1 TRP 86 HD1 TRP 86 -6.693 6.495 -7.883 126 HE1 TRP 86 HE1 TRP 86 -6.568 8.991 -8.480 127 HE3 TRP 86 HE3 TRP 86 -11.394 7.090 -9.814 128 HZ2 TRP 86 HZ2 TRP 86 -8.338 11.017 -9.536 129 HZ3 TRP 86 HZ3 TRP 86 -12.191 9.339 -10.488 130 HH2 TRP 86 HH2 TRP 86 -10.715 11.305 -10.293 131 H SER 87 H SER 87 -8.460 7.047 -5.974 132 HA SER 87 HA SER 87 -10.865 7.448 -4.226 133 HB2 SER 87 HB2 SER 87 -9.287 8.064 -2.429 134 HB3 SER 87 HB3 SER 87 -8.949 6.430 -3.032 135 HG SER 87 HG SER 87 -7.003 7.545 -2.912 136 H GLY 88 H GLY 88 -10.006 8.884 -6.830 137 HA2 GLY 88 HA2 GLY 88 -10.710 10.984 -7.528 138 HA3 GLY 88 HA3 GLY 88 -11.043 11.421 -5.861 139 H ARG 89 H ARG 89 -7.797 10.377 -6.537 140 HA ARG 89 HA ARG 89 -6.757 13.147 -6.801 141 HB2 ARG 89 HB2 ARG 89 -5.312 12.949 -4.876 142 HB3 ARG 89 HB3 ARG 89 -6.979 12.686 -4.403 143 HG2 ARG 89 HG2 ARG 89 -6.290 10.087 -4.747 144 HG3 ARG 89 HG3 ARG 89 -4.669 10.744 -4.512 145 HD2 ARG 89 HD2 ARG 89 -5.491 10.031 -2.371 146 HD3 ARG 89 HD3 ARG 89 -5.495 11.804 -2.371 147 HE ARG 89 HE ARG 89 -7.998 10.401 -3.173 148 HH11 ARG 89 HH11 ARG 89 -6.420 12.030 -0.493 149 HH12 ARG 89 HH12 ARG 89 -7.937 12.347 0.306 150 HH21 ARG 89 HH21 ARG 89 -9.832 10.894 -2.202 151 HH22 ARG 89 HH22 ARG 89 -9.856 11.696 -0.642 152 H GLY 90 H GLY 90 -4.481 13.283 -7.317 153 HA2 GLY 90 HA2 GLY 90 -2.698 12.744 -8.723 154 HA3 GLY 90 HA3 GLY 90 -3.014 11.034 -8.433 155 H ARG 91 H ARG 91 -2.385 11.002 -10.789 156 HA ARG 91 HA ARG 91 -4.056 11.985 -12.883 157 HB2 ARG 91 HB2 ARG 91 -1.822 11.276 -13.227 158 HB3 ARG 91 HB3 ARG 91 -2.210 9.595 -12.807 159 HG2 ARG 91 HG2 ARG 91 -3.657 9.428 -14.816 160 HG3 ARG 91 HG3 ARG 91 -3.389 11.145 -15.160 161 HD2 ARG 91 HD2 ARG 91 -1.995 9.857 -16.627 162 HD3 ARG 91 HD3 ARG 91 -0.965 10.692 -15.458 163 HE ARG 91 HE ARG 91 -1.618 8.026 -14.536 164 HH11 ARG 91 HH21 ARG 91 0.475 9.602 -16.859 165 HH12 ARG 91 HH22 ARG 91 1.634 8.301 -16.839 166 HH21 ARG 91 HH11 ARG 91 -0.084 6.421 -14.521 167 HH22 ARG 91 HH12 ARG 91 1.320 6.549 -15.536 168 H GLN 92 H GLN 92 -5.878 11.272 -13.802 169 HA GLN 92 HA GLN 92 -7.700 9.563 -12.470 170 HB2 GLN 92 HB2 GLN 92 -8.227 11.452 -14.053 171 HB3 GLN 92 HB3 GLN 92 -7.691 10.427 -15.392 172 HG2 GLN 92 HG2 GLN 92 -9.484 8.756 -14.705 173 HG3 GLN 92 HG3 GLN 92 -10.032 9.942 -13.511 174 HE21 GLN 92 HE22 GLN 92 -11.195 11.840 -14.307 175 HE22 GLN 92 HE21 GLN 92 -11.688 11.941 -15.990 176 HA PRO 93 HA PRO 93 -6.285 5.582 -14.163 177 HB2 PRO 93 HB2 PRO 93 -8.347 3.971 -13.412 178 HB3 PRO 93 HB3 PRO 93 -7.125 4.588 -12.259 179 HG2 PRO 93 HG2 PRO 93 -9.900 5.684 -12.813 180 HG3 PRO 93 HG3 PRO 93 -9.133 5.364 -11.232 181 HD2 PRO 93 HD2 PRO 93 -9.163 7.853 -12.349 182 HD3 PRO 93 HD3 PRO 93 -7.756 7.273 -11.410 183 H ALA 94 H ALA 94 -6.547 4.537 -16.110 184 HA ALA 94 HA ALA 94 -8.022 5.784 -18.127 185 HB1 ALA 94 HB1 ALA 94 -7.272 3.903 -19.539 186 HB2 ALA 94 HB2 ALA 94 -5.971 4.463 -18.472 187 HB3 ALA 94 HB3 ALA 94 -6.857 2.966 -18.090 188 H TRP 95 H TRP 95 -9.043 2.989 -16.169 189 HA TRP 95 HA TRP 95 -11.268 2.222 -17.808 190 HB2 TRP 95 HB2 TRP 95 -12.048 1.083 -15.676 191 HB3 TRP 95 HB3 TRP 95 -10.501 0.598 -16.345 192 HD1 TRP 95 HD1 TRP 95 -8.449 0.706 -14.837 193 HE1 TRP 95 HE1 TRP 95 -8.066 1.219 -12.354 194 HE3 TRP 95 HE3 TRP 95 -13.022 2.777 -13.715 195 HZ2 TRP 95 HZ2 TRP 95 -9.556 2.309 -10.156 196 HZ3 TRP 95 HZ3 TRP 95 -13.486 3.549 -11.413 197 HH2 TRP 95 HH2 TRP 95 -11.791 3.290 -9.640 198 H LEU 96 H LEU 96 -10.981 5.007 -15.724 199 HA LEU 96 HA LEU 96 -13.745 5.212 -15.013 200 HB2 LEU 96 HB2 LEU 96 -11.599 6.478 -14.112 201 HB3 LEU 96 HB3 LEU 96 -11.966 7.618 -15.407 202 HG LEU 96 HG LEU 96 -14.376 7.705 -14.367 203 HD11 LEU 96 HD11 LEU 96 -12.849 6.595 -11.966 204 HD12 LEU 96 HD12 LEU 96 -14.543 7.135 -12.020 205 HD13 LEU 96 HD13 LEU 96 -14.045 5.677 -12.891 206 HD21 LEU 96 HD21 LEU 96 -11.991 8.760 -12.819 207 HD22 LEU 96 HD22 LEU 96 -12.822 9.560 -14.172 208 HD23 LEU 96 HD23 LEU 96 -13.668 9.319 -12.638 209 H GLY 97 H GLY 97 -12.169 5.824 -18.051 210 HA2 GLY 97 HA2 GLY 97 -12.907 6.595 -20.095 211 HA3 GLY 97 HA3 GLY 97 -14.461 5.937 -19.593 212 H ASN 98 H ASN 98 -16.068 7.356 -19.828 213 HA ASN 98 HA ASN 98 -15.648 10.275 -19.291 214 HB2 ASN 98 HB2 ASN 98 -17.074 8.956 -21.642 215 HB3 ASN 98 HB3 ASN 98 -17.129 10.676 -21.284 216 HD21 ASN 98 HD22 ASN 98 -15.369 8.292 -22.982 217 HD22 ASN 98 HD21 ASN 98 -13.984 9.311 -23.354 218 H ASP 99 H ASP 99 -17.146 7.812 -17.888 219 HA ASP 99 HA ASP 99 -19.424 9.450 -16.973 220 HB2 ASP 99 HB2 ASP 99 -20.349 8.296 -18.919 221 HB3 ASP 99 HB3 ASP 99 -19.849 6.737 -18.263 222 HA PRO 100 HA PRO 100 -16.997 7.317 -13.603 223 HB2 PRO 100 HB2 PRO 100 -18.325 9.605 -12.183 224 HB3 PRO 100 HB3 PRO 100 -16.694 8.883 -11.964 225 HG2 PRO 100 HG2 PRO 100 -16.983 11.164 -13.394 226 HG3 PRO 100 HG3 PRO 100 -15.891 9.866 -13.978 227 HD2 PRO 100 HD2 PRO 100 -18.696 10.512 -14.896 228 HD3 PRO 100 HD3 PRO 100 -17.263 10.051 -15.856 229 H ALA 101 H ALA 101 -20.470 8.134 -13.677 230 HA ALA 101 HA ALA 101 -21.285 6.936 -11.285 231 HB1 ALA 101 HB1 ALA 101 -23.518 6.932 -12.308 232 HB2 ALA 101 HB2 ALA 101 -22.661 8.443 -12.671 233 HB3 ALA 101 HB3 ALA 101 -22.800 7.179 -13.914 234 H ALA 102 H ALA 102 -20.327 5.267 -14.233 235 HA ALA 102 HA ALA 102 -21.657 2.767 -13.694 236 HB1 ALA 102 HB1 ALA 102 -19.216 3.459 -15.382 237 HB2 ALA 102 HB2 ALA 102 -20.123 1.931 -15.450 238 HB3 ALA 102 HB3 ALA 102 -20.910 3.448 -15.927 239 H PHE 103 H PHE 103 -18.728 4.153 -12.380 240 HA PHE 103 HA PHE 103 -18.097 1.621 -10.931 241 HB2 PHE 103 HB2 PHE 103 -15.620 2.865 -11.441 242 HB3 PHE 103 HB3 PHE 103 -16.223 1.344 -12.055 243 HD1 PHE 103 HD1 PHE 103 -16.411 5.021 -12.783 244 HD2 PHE 103 HD2 PHE 103 -16.401 1.012 -14.373 245 HE1 PHE 103 HE1 PHE 103 -16.576 5.916 -15.084 246 HE2 PHE 103 HE2 PHE 103 -16.485 1.919 -16.673 247 HZ PHE 103 HZ PHE 103 -16.584 4.382 -17.037 248 H LEU 104 H LEU 104 -18.769 4.912 -10.559 249 HA LEU 104 HA LEU 104 -17.357 5.612 -8.202 250 HB2 LEU 104 HB2 LEU 104 -19.869 6.352 -9.594 251 HB3 LEU 104 HB3 LEU 104 -19.948 6.591 -7.855 252 HG LEU 104 HG LEU 104 -17.747 7.715 -9.601 253 HD11 LEU 104 HD11 LEU 104 -19.932 8.678 -10.227 254 HD12 LEU 104 HD12 LEU 104 -20.248 9.079 -8.521 255 HD13 LEU 104 HD13 LEU 104 -18.923 9.873 -9.403 256 HD21 LEU 104 HD21 LEU 104 -18.594 8.280 -6.720 257 HD22 LEU 104 HD22 LEU 104 -17.042 7.603 -7.266 258 HD23 LEU 104 HD23 LEU 104 -17.439 9.271 -7.631 259 H ILE 105 H ILE 105 -17.481 4.933 -6.095 260 HA ILE 105 HA ILE 105 -19.019 2.535 -5.407 261 HB ILE 105 HB ILE 105 -17.326 4.352 -3.660 262 HG12 ILE 105 HG12 ILE 105 -16.716 1.579 -4.798 263 HG13 ILE 105 HG13 ILE 105 -16.144 3.072 -5.532 264 HG21 ILE 105 HG21 ILE 105 -18.668 1.644 -3.203 265 HG22 ILE 105 HG22 ILE 105 -17.495 2.377 -2.079 266 HG23 ILE 105 HG23 ILE 105 -19.042 3.160 -2.346 267 HD11 ILE 105 HD11 ILE 105 -15.094 3.681 -3.310 268 HD12 ILE 105 HD12 ILE 105 -15.393 2.003 -2.803 269 HD13 ILE 105 HD13 ILE 105 -14.354 2.321 -4.201 270 H GLN 106 H GLN 106 -21.062 2.480 -4.840 271 HA GLN 106 HA GLN 106 -22.498 4.862 -3.763 272 HB2 GLN 106 HB2 GLN 106 -23.111 3.201 -6.246 273 HB3 GLN 106 HB3 GLN 106 -24.319 4.240 -5.481 274 HG2 GLN 106 HG2 GLN 106 -23.143 6.236 -6.007 275 HG3 GLN 106 HG3 GLN 106 -21.661 5.376 -6.408 276 HE21 GLN 106 HE22 GLN 106 -21.539 4.133 -8.397 277 HE22 GLN 106 HE21 GLN 106 -22.601 4.558 -9.737 278 HA PRO 107 HA PRO 107 -24.500 2.027 -1.032 279 HB2 PRO 107 HB2 PRO 107 -27.125 3.266 -1.887 280 HB3 PRO 107 HB3 PRO 107 -26.547 2.886 -0.228 281 HG2 PRO 107 HG2 PRO 107 -26.340 5.406 -1.133 282 HG3 PRO 107 HG3 PRO 107 -24.924 4.650 -0.318 283 HD2 PRO 107 HD2 PRO 107 -25.424 4.958 -3.295 284 HD3 PRO 107 HD3 PRO 107 -23.950 5.313 -2.338 285 H ASP 108 H ASP 108 -25.485 1.812 -4.307 286 HA ASP 108 HA ASP 108 -27.076 -0.482 -4.307 287 HB2 ASP 108 HB2 ASP 108 -26.646 1.019 -6.240 288 HB3 ASP 108 HB3 ASP 108 -25.000 0.396 -6.333 289 H LEU 109 H LEU 109 -23.838 -0.136 -3.391 290 HA LEU 109 HA LEU 109 -23.342 -3.023 -3.134 291 HB2 LEU 109 HB2 LEU 109 -21.426 -0.856 -4.115 292 HB3 LEU 109 HB3 LEU 109 -20.882 -2.445 -3.620 293 HG LEU 109 HG LEU 109 -22.770 -1.906 -5.958 294 HD11 LEU 109 HD11 LEU 109 -20.497 -1.055 -6.352 295 HD12 LEU 109 HD12 LEU 109 -19.813 -2.632 -5.904 296 HD13 LEU 109 HD13 LEU 109 -20.826 -2.475 -7.354 297 HD21 LEU 109 HD21 LEU 109 -22.260 -4.262 -6.579 298 HD22 LEU 109 HD22 LEU 109 -21.362 -4.469 -5.057 299 HD23 LEU 109 HD23 LEU 109 -23.115 -4.173 -5.037 300 HA PRO 110 HA PRO 110 -22.362 -1.914 1.065 301 HB2 PRO 110 HB2 PRO 110 -20.239 -3.570 1.707 302 HB3 PRO 110 HB3 PRO 110 -21.951 -4.086 1.603 303 HG2 PRO 110 HG2 PRO 110 -19.790 -4.339 -0.503 304 HG3 PRO 110 HG3 PRO 110 -20.973 -5.577 0.029 305 HD2 PRO 110 HD2 PRO 110 -21.365 -4.108 -2.218 306 HD3 PRO 110 HD3 PRO 110 -22.736 -4.522 -1.154 307 H ALA 111 H ALA 111 -21.427 -0.098 1.743 308 HA ALA 111 HA ALA 111 -18.664 0.671 0.950 309 HB1 ALA 111 HB1 ALA 111 -20.225 1.485 -0.803 310 HB2 ALA 111 HB2 ALA 111 -21.190 2.315 0.433 311 HB3 ALA 111 HB3 ALA 111 -19.529 2.842 0.104 312 H ILE 112 H ILE 112 -18.071 2.816 1.986 313 HA ILE 112 HA ILE 112 -18.658 2.745 4.834 314 HB ILE 112 HB ILE 112 -16.372 2.843 3.982 315 HG12 ILE 112 HG12 ILE 112 -15.390 4.489 5.445 316 HG13 ILE 112 HG13 ILE 112 -16.909 5.361 5.601 317 HG21 ILE 112 HG21 ILE 112 -16.891 5.688 3.030 318 HG22 ILE 112 HG22 ILE 112 -15.347 4.821 3.028 319 HG23 ILE 112 HG23 ILE 112 -16.664 4.267 1.992 320 HD11 ILE 112 HD11 ILE 112 -17.911 3.470 6.813 321 HD12 ILE 112 HD12 ILE 112 -16.454 2.485 6.522 322 HD13 ILE 112 HD13 ILE 112 -16.371 3.920 7.562 323 H LEU 113 H LEU 113 -20.833 3.197 3.879 324 HA LEU 113 HA LEU 113 -21.739 5.940 3.590 325 HB2 LEU 113 HB2 LEU 113 -22.821 3.891 2.624 326 HB3 LEU 113 HB3 LEU 113 -23.237 3.374 4.253 327 HG LEU 113 HG LEU 113 -24.735 5.339 4.511 328 HD11 LEU 113 HD11 LEU 113 -23.652 6.982 3.042 329 HD12 LEU 113 HD12 LEU 113 -23.949 5.951 1.626 330 HD13 LEU 113 HD13 LEU 113 -25.303 6.701 2.500 331 HD21 LEU 113 HD21 LEU 113 -25.203 3.738 1.966 332 HD22 LEU 113 HD22 LEU 113 -25.619 3.230 3.616 333 HD23 LEU 113 HD23 LEU 113 -26.442 4.614 2.891 334 H GLU 114 H GLU 114 -20.983 3.982 6.325 335 HA GLU 114 HA GLU 114 -22.673 4.873 8.389 336 HB2 GLU 114 HB2 GLU 114 -19.761 4.103 8.625 337 HB3 GLU 114 HB3 GLU 114 -20.970 4.175 9.913 338 HG2 GLU 114 HG2 GLU 114 -21.036 2.265 7.536 339 HG3 GLU 114 HG3 GLU 114 -20.504 1.868 9.160 Start of MODEL 14 1 H1 MET 71 H1 MET 71 -7.461 9.519 13.380 2 H2 MET 71 H2 MET 71 -7.835 7.964 13.050 3 H3 MET 71 H3 MET 71 -6.366 8.549 12.642 4 HA MET 71 HA MET 71 -8.941 9.437 11.479 5 HB2 MET 71 HB2 MET 71 -6.081 10.240 10.748 6 HB3 MET 71 HB3 MET 71 -7.494 10.598 9.760 7 HG2 MET 71 HG2 MET 71 -6.985 11.623 12.574 8 HG3 MET 71 HG3 MET 71 -6.850 12.536 11.084 9 HE1 MET 71 HE1 MET 71 -9.406 11.986 9.346 10 HE2 MET 71 HE2 MET 71 -10.503 13.217 10.001 11 HE3 MET 71 HE3 MET 71 -8.788 13.605 9.764 12 H SER 72 H SER 72 -9.461 8.665 9.389 13 HA SER 72 HA SER 72 -7.775 6.649 8.071 14 HB2 SER 72 HB2 SER 72 -9.129 5.430 9.840 15 HB3 SER 72 HB3 SER 72 -10.592 5.901 8.959 16 HG SER 72 HG SER 72 -9.764 3.799 8.359 17 H THR 73 H THR 73 -8.912 5.858 6.029 18 HA THR 73 HA THR 73 -10.842 7.707 4.813 19 HB THR 73 HB THR 73 -8.890 8.908 4.522 20 HG1 THR 73 HG1 THR 73 -9.124 9.257 2.333 21 HG21 THR 73 HG21 THR 73 -7.137 7.138 4.399 22 HG22 THR 73 HG22 THR 73 -7.798 6.595 2.837 23 HG23 THR 73 HG23 THR 73 -7.057 8.203 2.990 24 H VAL 74 H VAL 74 -11.347 6.977 2.502 25 HA VAL 74 HA VAL 74 -11.013 4.082 2.003 26 HB VAL 74 HB VAL 74 -13.454 3.804 1.584 27 HG11 VAL 74 HG11 VAL 74 -12.822 4.516 4.470 28 HG12 VAL 74 HG12 VAL 74 -14.102 3.437 3.881 29 HG13 VAL 74 HG13 VAL 74 -12.401 2.985 3.670 30 HG21 VAL 74 HG21 VAL 74 -15.083 5.303 2.603 31 HG22 VAL 74 HG22 VAL 74 -13.807 6.416 3.113 32 HG23 VAL 74 HG23 VAL 74 -14.148 6.170 1.384 33 HA PRO 75 HA PRO 75 -10.935 5.239 -2.321 34 HB2 PRO 75 HB2 PRO 75 -12.794 2.933 -2.769 35 HB3 PRO 75 HB3 PRO 75 -11.290 3.377 -3.640 36 HG2 PRO 75 HG2 PRO 75 -11.294 1.376 -1.811 37 HG3 PRO 75 HG3 PRO 75 -9.936 2.551 -1.866 38 HD2 PRO 75 HD2 PRO 75 -12.306 2.504 0.014 39 HD3 PRO 75 HD3 PRO 75 -10.576 2.804 0.370 40 H LYS 76 H LYS 76 -12.145 5.944 -4.064 41 HA LYS 76 HA LYS 76 -14.931 6.920 -3.508 42 HB2 LYS 76 HB2 LYS 76 -13.243 8.631 -3.642 43 HB3 LYS 76 HB3 LYS 76 -12.809 8.161 -5.293 44 HG2 LYS 76 HG2 LYS 76 -15.066 8.780 -6.072 45 HG3 LYS 76 HG3 LYS 76 -15.572 9.113 -4.405 46 HD2 LYS 76 HD2 LYS 76 -13.928 10.934 -4.230 47 HD3 LYS 76 HD3 LYS 76 -13.326 10.588 -5.866 48 HE2 LYS 76 HE2 LYS 76 -15.510 11.149 -6.839 49 HE3 LYS 76 HE3 LYS 76 -16.211 11.363 -5.227 50 HZ1 LYS 76 HZ1 LYS 76 -15.607 13.503 -6.212 51 HZ2 LYS 76 HZ2 LYS 76 -14.705 13.253 -4.880 52 HZ3 LYS 76 HZ3 LYS 76 -14.041 13.064 -6.366 53 H TYR 77 H TYR 77 -12.939 5.034 -5.677 54 HA TYR 77 HA TYR 77 -15.318 4.353 -7.357 55 HB2 TYR 77 HB2 TYR 77 -12.491 5.066 -8.233 56 HB3 TYR 77 HB3 TYR 77 -13.655 4.270 -9.271 57 HD1 TYR 77 HD1 TYR 77 -12.933 7.451 -7.478 58 HD2 TYR 77 HD2 TYR 77 -15.327 5.437 -10.439 59 HE1 TYR 77 HE1 TYR 77 -13.730 9.653 -8.321 60 HE2 TYR 77 HE2 TYR 77 -16.073 7.630 -11.317 61 HH TYR 77 HH TYR 77 -15.012 10.759 -9.903 62 H ARG 78 H ARG 78 -15.366 2.312 -8.202 63 HA ARG 78 HA ARG 78 -13.083 0.461 -7.923 64 HB2 ARG 78 HB2 ARG 78 -14.471 0.081 -5.897 65 HB3 ARG 78 HB3 ARG 78 -15.884 -0.203 -6.915 66 HG2 ARG 78 HG2 ARG 78 -14.774 -2.198 -7.920 67 HG3 ARG 78 HG3 ARG 78 -13.295 -1.838 -7.024 68 HD2 ARG 78 HD2 ARG 78 -14.447 -3.610 -5.899 69 HD3 ARG 78 HD3 ARG 78 -14.530 -2.155 -4.886 70 HE ARG 78 HE ARG 78 -16.859 -2.422 -6.617 71 HH11 ARG 78 HH21 ARG 78 -15.577 -3.742 -3.632 72 HH12 ARG 78 HH22 ARG 78 -17.158 -4.147 -3.028 73 HH21 ARG 78 HH11 ARG 78 -18.850 -2.950 -5.780 74 HH22 ARG 78 HH12 ARG 78 -18.960 -3.711 -4.224 75 H ASP 79 H ASP 79 -12.721 -0.238 -9.889 76 HA ASP 79 HA ASP 79 -14.477 -0.085 -12.162 77 HB2 ASP 79 HB2 ASP 79 -12.113 -0.019 -12.439 78 HB3 ASP 79 HB3 ASP 79 -11.889 -1.547 -11.591 79 HA PRO 80 HA PRO 80 -16.593 -3.938 -10.876 80 HB2 PRO 80 HB2 PRO 80 -18.520 -4.119 -12.808 81 HB3 PRO 80 HB3 PRO 80 -18.580 -2.936 -11.459 82 HG2 PRO 80 HG2 PRO 80 -17.573 -2.484 -14.287 83 HG3 PRO 80 HG3 PRO 80 -18.732 -1.483 -13.350 84 HD2 PRO 80 HD2 PRO 80 -16.090 -0.859 -13.491 85 HD3 PRO 80 HD3 PRO 80 -17.020 -0.609 -11.982 86 H ALA 81 H ALA 81 -14.980 -3.437 -13.970 87 HA ALA 81 HA ALA 81 -15.365 -6.130 -14.967 88 HB1 ALA 81 HB1 ALA 81 -13.412 -3.933 -15.774 89 HB2 ALA 81 HB2 ALA 81 -13.785 -5.395 -16.707 90 HB3 ALA 81 HB3 ALA 81 -15.045 -4.174 -16.422 91 H THR 82 H THR 82 -12.761 -4.555 -13.110 92 HA THR 82 HA THR 82 -11.294 -7.179 -12.902 93 HB THR 82 HB THR 82 -9.274 -6.043 -12.883 94 HG1 THR 82 HG1 THR 82 -10.790 -3.676 -13.347 95 HG21 THR 82 HG21 THR 82 -9.137 -5.453 -15.189 96 HG22 THR 82 HG22 THR 82 -10.342 -6.754 -14.993 97 HG23 THR 82 HG23 THR 82 -10.877 -5.077 -15.268 98 H GLY 83 H GLY 83 -12.709 -4.619 -10.993 99 HA2 GLY 83 HA2 GLY 83 -12.955 -4.580 -8.689 100 HA3 GLY 83 HA3 GLY 83 -11.732 -5.835 -8.497 101 H LYS 84 H LYS 84 -10.385 -3.465 -10.470 102 HA LYS 84 HA LYS 84 -8.537 -2.384 -8.549 103 HB2 LYS 84 HB2 LYS 84 -9.377 -1.532 -11.350 104 HB3 LYS 84 HB3 LYS 84 -8.109 -0.707 -10.419 105 HG2 LYS 84 HG2 LYS 84 -6.841 -2.779 -10.197 106 HG3 LYS 84 HG3 LYS 84 -8.078 -3.687 -11.073 107 HD2 LYS 84 HD2 LYS 84 -7.700 -2.240 -13.084 108 HD3 LYS 84 HD3 LYS 84 -6.396 -1.405 -12.206 109 HE2 LYS 84 HE2 LYS 84 -5.199 -3.572 -11.928 110 HE3 LYS 84 HE3 LYS 84 -6.494 -4.401 -12.796 111 HZ1 LYS 84 HZ1 LYS 84 -4.624 -3.887 -14.272 112 HZ2 LYS 84 HZ2 LYS 84 -5.942 -3.057 -14.770 113 HZ3 LYS 84 HZ3 LYS 84 -4.739 -2.294 -13.963 114 H THR 85 H THR 85 -8.384 -0.350 -7.612 115 HA THR 85 HA THR 85 -10.915 1.243 -7.399 116 HB THR 85 HB THR 85 -10.359 1.542 -4.968 117 HG1 THR 85 HG1 THR 85 -8.959 -0.035 -4.062 118 HG21 THR 85 HG21 THR 85 -12.099 -0.050 -5.656 119 HG22 THR 85 HG22 THR 85 -10.884 -1.341 -5.789 120 HG23 THR 85 HG23 THR 85 -11.241 -0.603 -4.211 121 H TRP 86 H TRP 86 -10.742 3.378 -6.559 122 HA TRP 86 HA TRP 86 -8.127 4.709 -6.480 123 HB2 TRP 86 HB2 TRP 86 -8.612 4.606 -8.883 124 HB3 TRP 86 HB3 TRP 86 -10.178 5.354 -8.628 125 HD1 TRP 86 HD1 TRP 86 -6.463 6.289 -7.901 126 HE1 TRP 86 HE1 TRP 86 -6.138 8.797 -8.374 127 HE3 TRP 86 HE3 TRP 86 -11.226 7.473 -9.291 128 HZ2 TRP 86 HZ2 TRP 86 -7.715 11.000 -9.371 129 HZ3 TRP 86 HZ3 TRP 86 -11.812 9.791 -9.978 130 HH2 TRP 86 HH2 TRP 86 -10.091 11.561 -9.965 131 H SER 87 H SER 87 -8.346 7.010 -5.796 132 HA SER 87 HA SER 87 -10.789 7.431 -4.094 133 HB2 SER 87 HB2 SER 87 -7.945 7.936 -3.216 134 HB3 SER 87 HB3 SER 87 -9.422 7.870 -2.232 135 HG SER 87 HG SER 87 -8.073 5.937 -2.126 136 H GLY 88 H GLY 88 -9.695 8.945 -6.640 137 HA2 GLY 88 HA2 GLY 88 -10.379 11.082 -7.279 138 HA3 GLY 88 HA3 GLY 88 -10.656 11.517 -5.613 139 H ARG 89 H ARG 89 -7.468 10.299 -6.245 140 HA ARG 89 HA ARG 89 -6.294 13.042 -6.511 141 HB2 ARG 89 HB2 ARG 89 -5.522 10.952 -4.422 142 HB3 ARG 89 HB3 ARG 89 -4.612 12.426 -4.770 143 HG2 ARG 89 HG2 ARG 89 -6.598 13.799 -4.133 144 HG3 ARG 89 HG3 ARG 89 -7.457 12.308 -3.688 145 HD2 ARG 89 HD2 ARG 89 -5.711 11.785 -2.023 146 HD3 ARG 89 HD3 ARG 89 -4.835 13.265 -2.475 147 HE ARG 89 HE ARG 89 -7.512 13.955 -1.763 148 HH11 ARG 89 HH21 ARG 89 -4.575 12.892 -0.165 149 HH12 ARG 89 HH22 ARG 89 -5.003 13.660 1.340 150 HH21 ARG 89 HH11 ARG 89 -7.991 14.923 0.187 151 HH22 ARG 89 HH12 ARG 89 -6.895 14.773 1.529 152 H GLY 90 H GLY 90 -4.178 13.136 -7.344 153 HA2 GLY 90 HA2 GLY 90 -2.466 12.517 -8.803 154 HA3 GLY 90 HA3 GLY 90 -2.803 10.823 -8.459 155 H ARG 91 H ARG 91 -2.299 10.729 -10.836 156 HA ARG 91 HA ARG 91 -4.063 11.725 -12.879 157 HB2 ARG 91 HB2 ARG 91 -2.296 9.281 -12.932 158 HB3 ARG 91 HB3 ARG 91 -3.110 10.040 -14.312 159 HG2 ARG 91 HG2 ARG 91 -1.043 11.446 -12.578 160 HG3 ARG 91 HG3 ARG 91 -0.681 10.615 -14.093 161 HD2 ARG 91 HD2 ARG 91 -2.231 12.145 -15.295 162 HD3 ARG 91 HD3 ARG 91 -2.514 13.027 -13.778 163 HE ARG 91 HE ARG 91 0.287 12.905 -14.195 164 HH11 ARG 91 HH11 ARG 91 -2.453 14.477 -15.721 165 HH12 ARG 91 HH12 ARG 91 -1.480 15.800 -16.305 166 HH21 ARG 91 HH21 ARG 91 1.462 14.621 -14.970 167 HH22 ARG 91 HH22 ARG 91 0.686 15.870 -15.896 168 H GLN 92 H GLN 92 -5.973 11.077 -13.635 169 HA GLN 92 HA GLN 92 -7.614 9.277 -12.161 170 HB2 GLN 92 HB2 GLN 92 -8.343 11.292 -13.446 171 HB3 GLN 92 HB3 GLN 92 -8.075 10.401 -14.953 172 HG2 GLN 92 HG2 GLN 92 -9.761 8.708 -14.207 173 HG3 GLN 92 HG3 GLN 92 -10.000 9.639 -12.718 174 HE21 GLN 92 HE22 GLN 92 -11.247 11.627 -12.830 175 HE22 GLN 92 HE21 GLN 92 -12.106 12.056 -14.297 176 HA PRO 93 HA PRO 93 -6.483 5.310 -14.061 177 HB2 PRO 93 HB2 PRO 93 -9.336 4.607 -13.464 178 HB3 PRO 93 HB3 PRO 93 -7.831 3.695 -13.118 179 HG2 PRO 93 HG2 PRO 93 -9.148 5.094 -11.179 180 HG3 PRO 93 HG3 PRO 93 -7.357 5.025 -11.226 181 HD2 PRO 93 HD2 PRO 93 -9.186 7.255 -12.083 182 HD3 PRO 93 HD3 PRO 93 -7.580 7.319 -11.303 183 H ALA 94 H ALA 94 -6.726 4.218 -16.022 184 HA ALA 94 HA ALA 94 -7.822 5.650 -18.197 185 HB1 ALA 94 HB1 ALA 94 -7.106 3.697 -19.519 186 HB2 ALA 94 HB2 ALA 94 -5.878 4.151 -18.323 187 HB3 ALA 94 HB3 ALA 94 -6.919 2.740 -18.029 188 H TRP 95 H TRP 95 -9.215 2.848 -16.451 189 HA TRP 95 HA TRP 95 -11.421 2.359 -18.230 190 HB2 TRP 95 HB2 TRP 95 -12.429 1.349 -16.048 191 HB3 TRP 95 HB3 TRP 95 -11.007 0.613 -16.778 192 HD1 TRP 95 HD1 TRP 95 -8.808 0.566 -15.427 193 HE1 TRP 95 HE1 TRP 95 -8.226 0.980 -12.964 194 HE3 TRP 95 HE3 TRP 95 -13.191 2.821 -13.906 195 HZ2 TRP 95 HZ2 TRP 95 -9.476 2.136 -10.642 196 HZ3 TRP 95 HZ3 TRP 95 -13.413 3.611 -11.582 197 HH2 TRP 95 HH2 TRP 95 -11.591 3.241 -9.944 198 H LEU 96 H LEU 96 -10.974 4.717 -15.673 199 HA LEU 96 HA LEU 96 -13.732 5.182 -15.118 200 HB2 LEU 96 HB2 LEU 96 -11.575 5.482 -13.736 201 HB3 LEU 96 HB3 LEU 96 -11.407 7.036 -14.529 202 HG LEU 96 HG LEU 96 -13.800 6.179 -12.828 203 HD11 LEU 96 HD11 LEU 96 -11.697 6.205 -11.551 204 HD12 LEU 96 HD12 LEU 96 -11.353 7.854 -12.141 205 HD13 LEU 96 HD13 LEU 96 -12.732 7.554 -11.084 206 HD21 LEU 96 HD21 LEU 96 -14.562 8.033 -14.098 207 HD22 LEU 96 HD22 LEU 96 -14.006 8.761 -12.606 208 HD23 LEU 96 HD23 LEU 96 -12.980 8.843 -14.053 209 H GLY 97 H GLY 97 -11.494 6.674 -17.378 210 HA2 GLY 97 HA2 GLY 97 -12.697 9.200 -17.695 211 HA3 GLY 97 HA3 GLY 97 -11.506 8.474 -18.766 212 H ASN 98 H ASN 98 -14.941 7.647 -18.111 213 HA ASN 98 HA ASN 98 -15.757 8.605 -20.786 214 HB2 ASN 98 HB2 ASN 98 -15.039 6.248 -21.147 215 HB3 ASN 98 HB3 ASN 98 -16.180 5.702 -19.916 216 HD21 ASN 98 HD22 ASN 98 -18.340 5.420 -20.509 217 HD22 ASN 98 HD21 ASN 98 -18.925 5.755 -22.143 218 H ASP 99 H ASP 99 -16.955 6.845 -17.859 219 HA ASP 99 HA ASP 99 -19.150 8.757 -17.521 220 HB2 ASP 99 HB2 ASP 99 -20.937 7.187 -17.733 221 HB3 ASP 99 HB3 ASP 99 -20.089 7.402 -19.242 222 HA PRO 100 HA PRO 100 -17.073 7.498 -13.543 223 HB2 PRO 100 HB2 PRO 100 -18.873 9.806 -12.853 224 HB3 PRO 100 HB3 PRO 100 -17.279 9.340 -12.177 225 HG2 PRO 100 HG2 PRO 100 -17.398 11.224 -14.103 226 HG3 PRO 100 HG3 PRO 100 -16.149 9.938 -14.198 227 HD2 PRO 100 HD2 PRO 100 -18.738 10.165 -15.716 228 HD3 PRO 100 HD3 PRO 100 -17.148 9.565 -16.269 229 H ALA 101 H ALA 101 -20.623 7.991 -13.883 230 HA ALA 101 HA ALA 101 -21.392 6.843 -11.438 231 HB1 ALA 101 HB1 ALA 101 -22.879 6.895 -14.099 232 HB2 ALA 101 HB2 ALA 101 -23.609 6.666 -12.496 233 HB3 ALA 101 HB3 ALA 101 -22.836 8.206 -12.897 234 H ALA 102 H ALA 102 -20.239 5.127 -14.297 235 HA ALA 102 HA ALA 102 -21.438 2.567 -13.721 236 HB1 ALA 102 HB1 ALA 102 -20.602 3.199 -15.932 237 HB2 ALA 102 HB2 ALA 102 -18.947 3.335 -15.300 238 HB3 ALA 102 HB3 ALA 102 -19.756 1.752 -15.341 239 H PHE 103 H PHE 103 -18.697 4.199 -12.303 240 HA PHE 103 HA PHE 103 -17.971 1.756 -10.746 241 HB2 PHE 103 HB2 PHE 103 -15.529 3.012 -11.206 242 HB3 PHE 103 HB3 PHE 103 -16.110 1.511 -11.880 243 HD1 PHE 103 HD2 PHE 103 -16.354 5.216 -12.582 244 HD2 PHE 103 HD1 PHE 103 -16.073 1.220 -14.188 245 HE1 PHE 103 HE2 PHE 103 -16.348 6.122 -14.883 246 HE2 PHE 103 HE1 PHE 103 -16.033 2.145 -16.481 247 HZ PHE 103 HZ PHE 103 -16.191 4.596 -16.837 248 H LEU 104 H LEU 104 -18.736 5.071 -10.516 249 HA LEU 104 HA LEU 104 -17.368 5.826 -8.154 250 HB2 LEU 104 HB2 LEU 104 -19.896 6.544 -9.536 251 HB3 LEU 104 HB3 LEU 104 -19.864 6.885 -7.810 252 HG LEU 104 HG LEU 104 -17.840 7.886 -9.807 253 HD11 LEU 104 HD11 LEU 104 -18.901 10.072 -9.500 254 HD12 LEU 104 HD12 LEU 104 -20.068 8.891 -10.116 255 HD13 LEU 104 HD13 LEU 104 -20.095 9.355 -8.394 256 HD21 LEU 104 HD21 LEU 104 -18.198 8.493 -6.833 257 HD22 LEU 104 HD22 LEU 104 -16.761 7.795 -7.610 258 HD23 LEU 104 HD23 LEU 104 -17.196 9.466 -7.931 259 H ILE 105 H ILE 105 -17.439 5.188 -6.089 260 HA ILE 105 HA ILE 105 -19.232 3.016 -5.218 261 HB ILE 105 HB ILE 105 -17.099 4.628 -3.755 262 HG12 ILE 105 HG12 ILE 105 -17.115 1.686 -4.570 263 HG13 ILE 105 HG13 ILE 105 -16.402 2.957 -5.558 264 HG21 ILE 105 HG21 ILE 105 -18.780 2.270 -2.753 265 HG22 ILE 105 HG22 ILE 105 -17.395 2.981 -1.901 266 HG23 ILE 105 HG23 ILE 105 -18.843 3.937 -2.135 267 HD11 ILE 105 HD11 ILE 105 -14.616 2.024 -4.305 268 HD12 ILE 105 HD12 ILE 105 -14.970 3.631 -3.623 269 HD13 ILE 105 HD13 ILE 105 -15.502 2.155 -2.777 270 H GLN 106 H GLN 106 -21.101 3.272 -4.165 271 HA GLN 106 HA GLN 106 -21.953 5.910 -3.075 272 HB2 GLN 106 HB2 GLN 106 -23.459 4.190 -5.091 273 HB3 GLN 106 HB3 GLN 106 -24.185 5.543 -4.241 274 HG2 GLN 106 HG2 GLN 106 -21.779 5.817 -6.113 275 HG3 GLN 106 HG3 GLN 106 -23.438 6.008 -6.605 276 HE21 GLN 106 HE22 GLN 106 -20.854 7.487 -4.596 277 HE22 GLN 106 HE21 GLN 106 -21.666 9.051 -4.506 278 HA PRO 107 HA PRO 107 -23.146 3.492 0.266 279 HB2 PRO 107 HB2 PRO 107 -25.165 4.870 1.519 280 HB3 PRO 107 HB3 PRO 107 -23.487 5.469 1.373 281 HG2 PRO 107 HG2 PRO 107 -25.851 6.123 -0.418 282 HG3 PRO 107 HG3 PRO 107 -24.714 7.264 0.370 283 HD2 PRO 107 HD2 PRO 107 -24.366 6.500 -2.202 284 HD3 PRO 107 HD3 PRO 107 -22.963 6.697 -1.107 285 H ASP 108 H ASP 108 -25.655 3.777 -2.039 286 HA ASP 108 HA ASP 108 -26.609 1.191 -1.637 287 HB2 ASP 108 HB2 ASP 108 -27.834 2.162 0.326 288 HB3 ASP 108 HB3 ASP 108 -28.591 3.334 -0.745 289 H LEU 109 H LEU 109 -27.603 4.368 -2.823 290 HA LEU 109 HA LEU 109 -27.998 3.321 -5.517 291 HB2 LEU 109 HB2 LEU 109 -30.203 3.381 -4.256 292 HB3 LEU 109 HB3 LEU 109 -29.984 5.117 -4.058 293 HG LEU 109 HG LEU 109 -30.017 5.319 -6.599 294 HD11 LEU 109 HD11 LEU 109 -31.036 2.439 -6.420 295 HD12 LEU 109 HD12 LEU 109 -31.008 3.459 -7.876 296 HD13 LEU 109 HD13 LEU 109 -29.494 2.920 -7.148 297 HD21 LEU 109 HD21 LEU 109 -31.989 5.821 -5.220 298 HD22 LEU 109 HD22 LEU 109 -32.462 5.061 -6.750 299 HD23 LEU 109 HD23 LEU 109 -32.461 4.112 -5.245 300 HA PRO 110 HA PRO 110 -25.470 6.880 -6.463 301 HB2 PRO 110 HB2 PRO 110 -27.084 7.105 -8.979 302 HB3 PRO 110 HB3 PRO 110 -25.304 7.175 -8.723 303 HG2 PRO 110 HG2 PRO 110 -26.470 4.896 -9.635 304 HG3 PRO 110 HG3 PRO 110 -25.175 4.821 -8.398 305 HD2 PRO 110 HD2 PRO 110 -28.165 4.648 -8.003 306 HD3 PRO 110 HD3 PRO 110 -26.860 3.660 -7.266 307 H ALA 111 H ALA 111 -25.461 8.983 -5.972 308 HA ALA 111 HA ALA 111 -27.889 10.505 -5.485 309 HB1 ALA 111 HB1 ALA 111 -25.858 10.643 -4.057 310 HB2 ALA 111 HB2 ALA 111 -24.940 11.304 -5.430 311 HB3 ALA 111 HB3 ALA 111 -26.287 12.226 -4.727 312 H ILE 112 H ILE 112 -27.973 9.722 -8.044 313 HA ILE 112 HA ILE 112 -27.777 12.158 -9.720 314 HB ILE 112 HB ILE 112 -26.736 9.473 -10.733 315 HG12 ILE 112 HG12 ILE 112 -25.011 11.831 -9.880 316 HG13 ILE 112 HG13 ILE 112 -25.169 10.321 -8.964 317 HG21 ILE 112 HG21 ILE 112 -27.641 11.228 -12.375 318 HG22 ILE 112 HG22 ILE 112 -26.343 12.306 -11.810 319 HG23 ILE 112 HG23 ILE 112 -25.961 10.783 -12.644 320 HD11 ILE 112 HD11 ILE 112 -23.904 10.613 -11.703 321 HD12 ILE 112 HD12 ILE 112 -23.124 10.199 -10.169 322 HD13 ILE 112 HD13 ILE 112 -24.259 9.056 -10.912 323 H LEU 113 H LEU 113 -29.932 11.934 -8.895 324 HA LEU 113 HA LEU 113 -31.698 10.205 -10.580 325 HB2 LEU 113 HB2 LEU 113 -31.053 9.230 -8.324 326 HB3 LEU 113 HB3 LEU 113 -31.888 10.577 -7.561 327 HG LEU 113 HG LEU 113 -34.050 9.766 -8.442 328 HD11 LEU 113 HD11 LEU 113 -32.394 7.523 -9.687 329 HD12 LEU 113 HD12 LEU 113 -34.169 7.539 -9.558 330 HD13 LEU 113 HD13 LEU 113 -33.352 8.734 -10.568 331 HD21 LEU 113 HD21 LEU 113 -32.386 7.584 -7.139 332 HD22 LEU 113 HD22 LEU 113 -33.222 8.908 -6.299 333 HD23 LEU 113 HD23 LEU 113 -34.162 7.680 -7.158 334 H GLU 114 H GLU 114 -31.060 13.337 -9.883 335 HA GLU 114 HA GLU 114 -33.774 14.285 -10.530 336 HB2 GLU 114 HB2 GLU 114 -33.791 14.222 -8.141 337 HB3 GLU 114 HB3 GLU 114 -32.315 15.203 -8.044 338 HG2 GLU 114 HG2 GLU 114 -33.519 17.095 -9.109 339 HG3 GLU 114 HG3 GLU 114 -34.957 16.092 -9.291 Start of MODEL 15 1 H1 MET 71 H1 MET 71 -4.346 8.335 11.632 2 H2 MET 71 H2 MET 71 -5.160 9.537 12.387 3 H3 MET 71 H3 MET 71 -5.901 8.110 12.092 4 HA MET 71 HA MET 71 -6.696 9.761 10.547 5 HB2 MET 71 HB2 MET 71 -4.629 11.162 10.584 6 HB3 MET 71 HB3 MET 71 -3.778 9.934 9.649 7 HG2 MET 71 HG2 MET 71 -4.498 11.773 8.226 8 HG3 MET 71 HG3 MET 71 -5.285 10.278 7.754 9 HE1 MET 71 HE1 MET 71 -6.124 13.057 10.568 10 HE2 MET 71 HE2 MET 71 -5.664 13.903 9.072 11 HE3 MET 71 HE3 MET 71 -7.339 13.979 9.659 12 H SER 72 H SER 72 -7.682 8.873 8.780 13 HA SER 72 HA SER 72 -6.540 6.455 7.454 14 HB2 SER 72 HB2 SER 72 -9.294 6.582 8.763 15 HB3 SER 72 HB3 SER 72 -8.652 5.239 7.800 16 HG SER 72 HG SER 72 -8.410 4.868 10.058 17 H THR 73 H THR 73 -7.675 5.841 5.513 18 HA THR 73 HA THR 73 -9.407 7.897 4.202 19 HB THR 73 HB THR 73 -8.193 7.886 2.248 20 HG1 THR 73 HG1 THR 73 -6.123 6.883 2.105 21 HG21 THR 73 HG21 THR 73 -7.527 9.571 3.939 22 HG22 THR 73 HG22 THR 73 -6.211 8.503 4.474 23 HG23 THR 73 HG23 THR 73 -6.211 9.168 2.829 24 H VAL 74 H VAL 74 -10.368 7.123 2.172 25 HA VAL 74 HA VAL 74 -10.728 4.189 1.919 26 HB VAL 74 HB VAL 74 -13.212 4.525 1.709 27 HG11 VAL 74 HG11 VAL 74 -12.127 5.209 4.467 28 HG12 VAL 74 HG12 VAL 74 -13.690 4.463 4.076 29 HG13 VAL 74 HG13 VAL 74 -12.186 3.582 3.756 30 HG21 VAL 74 HG21 VAL 74 -14.299 6.446 2.733 31 HG22 VAL 74 HG22 VAL 74 -12.735 7.224 3.045 32 HG23 VAL 74 HG23 VAL 74 -13.299 6.980 1.380 33 HA PRO 75 HA PRO 75 -10.887 5.249 -2.454 34 HB2 PRO 75 HB2 PRO 75 -12.283 3.187 -3.541 35 HB3 PRO 75 HB3 PRO 75 -10.628 3.003 -2.891 36 HG2 PRO 75 HG2 PRO 75 -13.240 2.392 -1.482 37 HG3 PRO 75 HG3 PRO 75 -11.793 1.341 -1.633 38 HD2 PRO 75 HD2 PRO 75 -12.238 2.853 0.583 39 HD3 PRO 75 HD3 PRO 75 -10.586 2.630 -0.062 40 H LYS 76 H LYS 76 -12.298 5.806 -4.133 41 HA LYS 76 HA LYS 76 -15.146 6.535 -3.421 42 HB2 LYS 76 HB2 LYS 76 -13.134 8.158 -4.983 43 HB3 LYS 76 HB3 LYS 76 -14.889 8.401 -4.995 44 HG2 LYS 76 HG2 LYS 76 -14.895 8.769 -2.560 45 HG3 LYS 76 HG3 LYS 76 -13.145 8.520 -2.509 46 HD2 LYS 76 HD2 LYS 76 -13.723 10.894 -2.419 47 HD3 LYS 76 HD3 LYS 76 -12.767 10.526 -3.857 48 HE2 LYS 76 HE2 LYS 76 -14.717 10.647 -5.298 49 HE3 LYS 76 HE3 LYS 76 -15.809 10.732 -3.904 50 HZ1 LYS 76 HZ1 LYS 76 -14.849 12.902 -3.352 51 HZ2 LYS 76 HZ2 LYS 76 -13.806 12.833 -4.610 52 HZ3 LYS 76 HZ3 LYS 76 -15.412 12.936 -4.884 53 H TYR 77 H TYR 77 -13.031 4.959 -5.714 54 HA TYR 77 HA TYR 77 -15.385 4.350 -7.450 55 HB2 TYR 77 HB2 TYR 77 -12.630 5.079 -8.484 56 HB3 TYR 77 HB3 TYR 77 -14.105 4.866 -9.410 57 HD1 TYR 77 HD2 TYR 77 -12.209 7.104 -7.147 58 HD2 TYR 77 HD1 TYR 77 -15.712 6.720 -9.624 59 HE1 TYR 77 HE2 TYR 77 -12.532 9.562 -7.049 60 HE2 TYR 77 HE1 TYR 77 -16.013 9.209 -9.536 61 HH TYR 77 HH TYR 77 -13.787 11.364 -7.781 62 H ARG 78 H ARG 78 -15.364 2.273 -8.311 63 HA ARG 78 HA ARG 78 -12.907 0.643 -8.176 64 HB2 ARG 78 HB2 ARG 78 -14.132 0.294 -6.010 65 HB3 ARG 78 HB3 ARG 78 -15.514 -0.333 -6.920 66 HG2 ARG 78 HG2 ARG 78 -14.114 -2.176 -7.809 67 HG3 ARG 78 HG3 ARG 78 -12.678 -1.456 -7.075 68 HD2 ARG 78 HD2 ARG 78 -13.897 -1.731 -4.809 69 HD3 ARG 78 HD3 ARG 78 -15.020 -2.786 -5.695 70 HE ARG 78 HE ARG 78 -12.201 -3.451 -6.129 71 HH11 ARG 78 HH11 ARG 78 -14.823 -4.058 -3.874 72 HH12 ARG 78 HH12 ARG 78 -14.065 -5.495 -3.255 73 HH21 ARG 78 HH21 ARG 78 -11.287 -5.245 -5.289 74 HH22 ARG 78 HH22 ARG 78 -12.102 -6.155 -4.048 75 H ASP 79 H ASP 79 -12.621 -0.252 -10.060 76 HA ASP 79 HA ASP 79 -14.549 -0.376 -12.190 77 HB2 ASP 79 HB2 ASP 79 -12.209 -0.177 -12.672 78 HB3 ASP 79 HB3 ASP 79 -11.824 -1.634 -11.752 79 HA PRO 80 HA PRO 80 -16.302 -4.260 -10.540 80 HB2 PRO 80 HB2 PRO 80 -18.379 -4.635 -12.267 81 HB3 PRO 80 HB3 PRO 80 -18.387 -3.377 -10.999 82 HG2 PRO 80 HG2 PRO 80 -17.649 -3.051 -13.922 83 HG3 PRO 80 HG3 PRO 80 -18.778 -2.047 -12.950 84 HD2 PRO 80 HD2 PRO 80 -16.187 -1.322 -13.367 85 HD3 PRO 80 HD3 PRO 80 -17.003 -1.006 -11.801 86 H ALA 81 H ALA 81 -15.002 -3.807 -13.770 87 HA ALA 81 HA ALA 81 -15.316 -6.537 -14.670 88 HB1 ALA 81 HB1 ALA 81 -15.203 -4.581 -16.179 89 HB2 ALA 81 HB2 ALA 81 -13.528 -4.284 -15.676 90 HB3 ALA 81 HB3 ALA 81 -13.940 -5.770 -16.551 91 H THR 82 H THR 82 -12.703 -4.811 -13.002 92 HA THR 82 HA THR 82 -11.078 -7.341 -12.834 93 HB THR 82 HB THR 82 -9.138 -6.066 -12.824 94 HG1 THR 82 HG1 THR 82 -10.817 -3.815 -13.317 95 HG21 THR 82 HG21 THR 82 -9.064 -5.476 -15.138 96 HG22 THR 82 HG22 THR 82 -10.179 -6.853 -14.933 97 HG23 THR 82 HG23 THR 82 -10.823 -5.212 -15.197 98 H GLY 83 H GLY 83 -12.519 -4.753 -10.922 99 HA2 GLY 83 HA2 GLY 83 -12.783 -4.774 -8.610 100 HA3 GLY 83 HA3 GLY 83 -11.461 -5.928 -8.426 101 H LYS 84 H LYS 84 -10.238 -3.570 -10.435 102 HA LYS 84 HA LYS 84 -8.458 -2.416 -8.499 103 HB2 LYS 84 HB2 LYS 84 -9.187 -1.647 -11.356 104 HB3 LYS 84 HB3 LYS 84 -7.926 -0.826 -10.423 105 HG2 LYS 84 HG2 LYS 84 -6.786 -2.988 -10.034 106 HG3 LYS 84 HG3 LYS 84 -7.944 -3.800 -11.093 107 HD2 LYS 84 HD2 LYS 84 -6.200 -1.449 -11.938 108 HD3 LYS 84 HD3 LYS 84 -5.742 -3.149 -12.167 109 HE2 LYS 84 HE2 LYS 84 -7.846 -3.486 -13.517 110 HE3 LYS 84 HE3 LYS 84 -8.183 -1.759 -13.386 111 HZ1 LYS 84 HZ1 LYS 84 -7.023 -2.274 -15.469 112 HZ2 LYS 84 HZ2 LYS 84 -6.048 -1.336 -14.546 113 HZ3 LYS 84 HZ3 LYS 84 -5.761 -2.936 -14.671 114 H THR 85 H THR 85 -8.285 -0.352 -7.645 115 HA THR 85 HA THR 85 -10.849 1.170 -7.344 116 HB THR 85 HB THR 85 -10.027 1.607 -4.991 117 HG1 THR 85 HG1 THR 85 -8.482 0.127 -4.195 118 HG21 THR 85 HG21 THR 85 -10.724 -0.567 -4.078 119 HG22 THR 85 HG22 THR 85 -11.793 -0.017 -5.370 120 HG23 THR 85 HG23 THR 85 -10.595 -1.301 -5.693 121 H TRP 86 H TRP 86 -10.755 3.348 -6.679 122 HA TRP 86 HA TRP 86 -8.204 4.794 -6.639 123 HB2 TRP 86 HB2 TRP 86 -8.743 4.713 -9.033 124 HB3 TRP 86 HB3 TRP 86 -10.335 5.385 -8.725 125 HD1 TRP 86 HD1 TRP 86 -6.685 6.499 -7.931 126 HE1 TRP 86 HE1 TRP 86 -6.460 9.010 -8.430 127 HE3 TRP 86 HE3 TRP 86 -11.405 7.403 -9.686 128 HZ2 TRP 86 HZ2 TRP 86 -8.187 11.174 -9.259 129 HZ3 TRP 86 HZ3 TRP 86 -12.128 9.724 -10.187 130 HH2 TRP 86 HH2 TRP 86 -10.574 11.615 -9.880 131 H SER 87 H SER 87 -8.513 7.073 -5.930 132 HA SER 87 HA SER 87 -10.947 7.445 -4.209 133 HB2 SER 87 HB2 SER 87 -9.393 7.908 -2.341 134 HB3 SER 87 HB3 SER 87 -9.071 6.304 -3.024 135 HG SER 87 HG SER 87 -7.128 7.503 -2.726 136 H GLY 88 H GLY 88 -9.345 9.054 -6.596 137 HA2 GLY 88 HA2 GLY 88 -10.001 11.320 -7.116 138 HA3 GLY 88 HA3 GLY 88 -9.997 11.729 -5.416 139 H ARG 89 H ARG 89 -7.265 10.115 -5.351 140 HA ARG 89 HA ARG 89 -5.523 12.409 -5.521 141 HB2 ARG 89 HB2 ARG 89 -5.264 10.527 -3.913 142 HB3 ARG 89 HB3 ARG 89 -4.932 9.426 -5.239 143 HG2 ARG 89 HG2 ARG 89 -2.867 10.030 -4.119 144 HG3 ARG 89 HG3 ARG 89 -2.848 10.607 -5.777 145 HD2 ARG 89 HD2 ARG 89 -1.863 12.254 -4.300 146 HD3 ARG 89 HD3 ARG 89 -3.352 12.906 -4.997 147 HE ARG 89 HE ARG 89 -3.884 11.652 -2.449 148 HH11 ARG 89 HH21 ARG 89 -2.396 14.582 -3.688 149 HH12 ARG 89 HH22 ARG 89 -2.750 15.480 -2.239 150 HH21 ARG 89 HH11 ARG 89 -4.322 12.870 -0.641 151 HH22 ARG 89 HH12 ARG 89 -3.794 14.527 -0.558 152 H GLY 90 H GLY 90 -4.455 13.210 -7.253 153 HA2 GLY 90 HA2 GLY 90 -3.300 13.321 -9.268 154 HA3 GLY 90 HA3 GLY 90 -3.263 11.563 -9.326 155 H ARG 91 H ARG 91 -3.568 11.980 -11.648 156 HA ARG 91 HA ARG 91 -6.086 12.957 -12.752 157 HB2 ARG 91 HB2 ARG 91 -3.986 11.167 -14.007 158 HB3 ARG 91 HB3 ARG 91 -5.338 11.984 -14.821 159 HG2 ARG 91 HG2 ARG 91 -4.432 14.192 -14.128 160 HG3 ARG 91 HG3 ARG 91 -3.012 13.395 -13.438 161 HD2 ARG 91 HD2 ARG 91 -3.874 13.232 -16.358 162 HD3 ARG 91 HD3 ARG 91 -2.638 14.331 -15.719 163 HE ARG 91 HE ARG 91 -1.834 11.777 -14.909 164 HH11 ARG 91 HH21 ARG 91 -2.252 13.404 -17.986 165 HH12 ARG 91 HH22 ARG 91 -1.040 12.428 -18.772 166 HH21 ARG 91 HH11 ARG 91 -0.319 10.549 -15.979 167 HH22 ARG 91 HH12 ARG 91 0.023 10.852 -17.657 168 H GLN 92 H GLN 92 -7.688 11.748 -13.831 169 HA GLN 92 HA GLN 92 -8.814 9.574 -12.381 170 HB2 GLN 92 HB2 GLN 92 -9.358 10.600 -15.189 171 HB3 GLN 92 HB3 GLN 92 -10.356 9.402 -14.360 172 HG2 GLN 92 HG2 GLN 92 -10.898 10.995 -12.584 173 HG3 GLN 92 HG3 GLN 92 -9.861 12.229 -13.307 174 HE21 GLN 92 HE22 GLN 92 -13.035 11.678 -12.937 175 HE22 GLN 92 HE21 GLN 92 -13.622 12.245 -14.493 176 HA PRO 93 HA PRO 93 -6.650 5.993 -14.185 177 HB2 PRO 93 HB2 PRO 93 -9.270 4.630 -13.626 178 HB3 PRO 93 HB3 PRO 93 -7.597 4.115 -13.241 179 HG2 PRO 93 HG2 PRO 93 -9.263 5.158 -11.341 180 HG3 PRO 93 HG3 PRO 93 -7.508 5.549 -11.356 181 HD2 PRO 93 HD2 PRO 93 -9.825 7.217 -12.328 182 HD3 PRO 93 HD3 PRO 93 -8.330 7.707 -11.476 183 H ALA 94 H ALA 94 -6.703 4.732 -16.101 184 HA ALA 94 HA ALA 94 -8.078 5.764 -18.342 185 HB1 ALA 94 HB1 ALA 94 -5.939 4.547 -18.438 186 HB2 ALA 94 HB2 ALA 94 -6.751 3.041 -17.943 187 HB3 ALA 94 HB3 ALA 94 -7.135 3.792 -19.508 188 H TRP 95 H TRP 95 -9.024 3.063 -16.195 189 HA TRP 95 HA TRP 95 -11.255 2.176 -17.814 190 HB2 TRP 95 HB2 TRP 95 -11.976 1.069 -15.650 191 HB3 TRP 95 HB3 TRP 95 -10.429 0.596 -16.316 192 HD1 TRP 95 HD1 TRP 95 -8.292 1.012 -14.920 193 HE1 TRP 95 HE1 TRP 95 -7.886 1.512 -12.436 194 HE3 TRP 95 HE3 TRP 95 -13.036 2.509 -13.600 195 HZ2 TRP 95 HZ2 TRP 95 -9.415 2.366 -10.169 196 HZ3 TRP 95 HZ3 TRP 95 -13.511 3.145 -11.252 197 HH2 TRP 95 HH2 TRP 95 -11.726 3.058 -9.540 198 H LEU 96 H LEU 96 -10.922 4.881 -15.600 199 HA LEU 96 HA LEU 96 -13.704 5.001 -14.864 200 HB2 LEU 96 HB2 LEU 96 -11.572 5.988 -13.670 201 HB3 LEU 96 HB3 LEU 96 -11.773 7.336 -14.788 202 HG LEU 96 HG LEU 96 -14.264 7.381 -13.901 203 HD11 LEU 96 HD11 LEU 96 -12.894 5.971 -11.575 204 HD12 LEU 96 HD12 LEU 96 -14.583 6.513 -11.670 205 HD13 LEU 96 HD13 LEU 96 -14.027 5.173 -12.681 206 HD21 LEU 96 HD21 LEU 96 -12.692 9.153 -13.438 207 HD22 LEU 96 HD22 LEU 96 -13.573 8.756 -11.944 208 HD23 LEU 96 HD23 LEU 96 -11.906 8.180 -12.171 209 H GLY 97 H GLY 97 -11.803 6.584 -17.434 210 HA2 GLY 97 HA2 GLY 97 -12.443 7.732 -19.332 211 HA3 GLY 97 HA3 GLY 97 -13.966 6.853 -19.204 212 H ASN 98 H ASN 98 -15.041 8.638 -20.105 213 HA ASN 98 HA ASN 98 -14.957 11.295 -18.973 214 HB2 ASN 98 HB2 ASN 98 -15.321 10.724 -21.377 215 HB3 ASN 98 HB3 ASN 98 -16.876 9.996 -20.961 216 HD21 ASN 98 HD22 ASN 98 -15.067 13.117 -20.803 217 HD22 ASN 98 HD21 ASN 98 -16.512 14.100 -20.976 218 H ASP 99 H ASP 99 -16.810 8.515 -18.017 219 HA ASP 99 HA ASP 99 -18.730 10.211 -16.475 220 HB2 ASP 99 HB2 ASP 99 -19.789 9.645 -18.572 221 HB3 ASP 99 HB3 ASP 99 -19.452 7.929 -18.321 222 HA PRO 100 HA PRO 100 -16.759 7.185 -13.590 223 HB2 PRO 100 HB2 PRO 100 -17.838 9.246 -11.707 224 HB3 PRO 100 HB3 PRO 100 -16.289 8.343 -11.686 225 HG2 PRO 100 HG2 PRO 100 -16.364 10.907 -12.568 226 HG3 PRO 100 HG3 PRO 100 -15.379 9.686 -13.432 227 HD2 PRO 100 HD2 PRO 100 -18.124 10.729 -14.151 228 HD3 PRO 100 HD3 PRO 100 -16.710 10.406 -15.204 229 H ALA 101 H ALA 101 -20.127 8.122 -13.861 230 HA ALA 101 HA ALA 101 -21.229 7.109 -11.516 231 HB1 ALA 101 HB1 ALA 101 -22.448 7.176 -14.303 232 HB2 ALA 101 HB2 ALA 101 -23.340 7.073 -12.768 233 HB3 ALA 101 HB3 ALA 101 -22.395 8.524 -13.145 234 H ALA 102 H ALA 102 -20.214 5.176 -14.320 235 HA ALA 102 HA ALA 102 -21.674 2.793 -13.645 236 HB1 ALA 102 HB1 ALA 102 -20.174 1.751 -15.319 237 HB2 ALA 102 HB2 ALA 102 -20.822 3.294 -15.897 238 HB3 ALA 102 HB3 ALA 102 -19.151 3.203 -15.301 239 H PHE 103 H PHE 103 -18.725 4.079 -12.300 240 HA PHE 103 HA PHE 103 -18.248 1.576 -10.743 241 HB2 PHE 103 HB2 PHE 103 -15.722 2.741 -11.227 242 HB3 PHE 103 HB3 PHE 103 -16.350 1.212 -11.802 243 HD1 PHE 103 HD1 PHE 103 -16.485 4.857 -12.688 244 HD2 PHE 103 HD2 PHE 103 -16.355 0.789 -14.102 245 HE1 PHE 103 HE1 PHE 103 -16.575 5.657 -15.033 246 HE2 PHE 103 HE2 PHE 103 -16.326 1.602 -16.445 247 HZ PHE 103 HZ PHE 103 -16.462 4.042 -16.915 248 H LEU 104 H LEU 104 -18.907 4.844 -10.457 249 HA LEU 104 HA LEU 104 -17.506 5.642 -8.138 250 HB2 LEU 104 HB2 LEU 104 -19.915 6.388 -9.629 251 HB3 LEU 104 HB3 LEU 104 -20.151 6.600 -7.900 252 HG LEU 104 HG LEU 104 -17.834 7.756 -9.472 253 HD11 LEU 104 HD11 LEU 104 -19.969 8.741 -10.177 254 HD12 LEU 104 HD12 LEU 104 -20.384 9.095 -8.483 255 HD13 LEU 104 HD13 LEU 104 -19.012 9.913 -9.257 256 HD21 LEU 104 HD21 LEU 104 -17.610 9.255 -7.438 257 HD22 LEU 104 HD22 LEU 104 -18.799 8.225 -6.611 258 HD23 LEU 104 HD23 LEU 104 -17.222 7.579 -7.113 259 H ILE 105 H ILE 105 -17.598 5.075 -6.021 260 HA ILE 105 HA ILE 105 -19.304 2.822 -5.164 261 HB ILE 105 HB ILE 105 -17.180 4.420 -3.665 262 HG12 ILE 105 HG12 ILE 105 -16.985 1.604 -4.827 263 HG13 ILE 105 HG13 ILE 105 -16.351 3.046 -5.624 264 HG21 ILE 105 HG21 ILE 105 -18.847 3.400 -2.120 265 HG22 ILE 105 HG22 ILE 105 -18.607 1.824 -2.904 266 HG23 ILE 105 HG23 ILE 105 -17.298 2.595 -1.993 267 HD11 ILE 105 HD11 ILE 105 -15.015 3.519 -3.509 268 HD12 ILE 105 HD12 ILE 105 -15.407 1.863 -2.998 269 HD13 ILE 105 HD13 ILE 105 -14.495 2.127 -4.489 270 H GLN 106 H GLN 106 -21.314 3.175 -4.446 271 HA GLN 106 HA GLN 106 -22.360 5.786 -3.825 272 HB2 GLN 106 HB2 GLN 106 -23.495 2.980 -3.447 273 HB3 GLN 106 HB3 GLN 106 -24.400 4.468 -3.134 274 HG2 GLN 106 HG2 GLN 106 -24.095 5.176 -5.497 275 HG3 GLN 106 HG3 GLN 106 -23.189 3.699 -5.826 276 HE21 GLN 106 HE22 GLN 106 -24.674 2.879 -7.406 277 HE22 GLN 106 HE21 GLN 106 -26.288 2.350 -6.943 278 HA PRO 107 HA PRO 107 -21.394 5.941 0.494 279 HB2 PRO 107 HB2 PRO 107 -23.134 7.814 1.460 280 HB3 PRO 107 HB3 PRO 107 -21.860 8.206 0.268 281 HG2 PRO 107 HG2 PRO 107 -24.777 7.563 -0.283 282 HG3 PRO 107 HG3 PRO 107 -23.827 8.967 -0.874 283 HD2 PRO 107 HD2 PRO 107 -24.178 6.742 -2.397 284 HD3 PRO 107 HD3 PRO 107 -22.628 7.640 -2.404 285 H ASP 108 H ASP 108 -24.388 4.654 -0.433 286 HA ASP 108 HA ASP 108 -26.152 3.617 0.537 287 HB2 ASP 108 HB2 ASP 108 -24.253 1.996 0.661 288 HB3 ASP 108 HB3 ASP 108 -24.015 2.451 2.345 289 H LEU 109 H LEU 109 -25.716 6.251 1.631 290 HA LEU 109 HA LEU 109 -27.324 6.070 4.106 291 HB2 LEU 109 HB2 LEU 109 -24.801 6.191 4.608 292 HB3 LEU 109 HB3 LEU 109 -24.802 7.763 3.826 293 HG LEU 109 HG LEU 109 -26.568 8.468 5.590 294 HD11 LEU 109 HD11 LEU 109 -25.528 5.932 6.943 295 HD12 LEU 109 HD12 LEU 109 -26.580 7.153 7.679 296 HD13 LEU 109 HD13 LEU 109 -27.181 6.154 6.352 297 HD21 LEU 109 HD21 LEU 109 -24.218 9.181 5.703 298 HD22 LEU 109 HD22 LEU 109 -24.850 8.843 7.322 299 HD23 LEU 109 HD23 LEU 109 -23.783 7.666 6.526 300 HA PRO 110 HA PRO 110 -29.257 9.471 1.811 301 HB2 PRO 110 HB2 PRO 110 -31.044 10.406 3.658 302 HB3 PRO 110 HB3 PRO 110 -31.241 8.838 2.816 303 HG2 PRO 110 HG2 PRO 110 -30.076 9.335 5.572 304 HG3 PRO 110 HG3 PRO 110 -31.324 8.138 5.096 305 HD2 PRO 110 HD2 PRO 110 -28.702 7.469 5.336 306 HD3 PRO 110 HD3 PRO 110 -29.727 6.744 4.064 307 H ALA 111 H ALA 111 -29.341 11.725 1.736 308 HA ALA 111 HA ALA 111 -27.341 13.112 3.436 309 HB1 ALA 111 HB1 ALA 111 -28.378 13.793 0.643 310 HB2 ALA 111 HB2 ALA 111 -27.039 14.598 1.491 311 HB3 ALA 111 HB3 ALA 111 -26.875 12.905 0.998 312 H ILE 112 H ILE 112 -29.890 12.694 4.372 313 HA ILE 112 HA ILE 112 -30.733 15.403 5.144 314 HB ILE 112 HB ILE 112 -33.189 14.779 4.857 315 HG12 ILE 112 HG12 ILE 112 -32.183 12.730 2.836 316 HG13 ILE 112 HG13 ILE 112 -32.704 12.271 4.458 317 HG21 ILE 112 HG21 ILE 112 -31.695 14.989 2.225 318 HG22 ILE 112 HG22 ILE 112 -33.327 15.568 2.592 319 HG23 ILE 112 HG23 ILE 112 -31.931 16.351 3.343 320 HD11 ILE 112 HD11 ILE 112 -34.439 13.559 2.315 321 HD12 ILE 112 HD12 ILE 112 -34.515 11.901 2.920 322 HD13 ILE 112 HD13 ILE 112 -34.960 13.245 3.992 323 H LEU 113 H LEU 113 -29.263 14.206 6.581 324 HA LEU 113 HA LEU 113 -30.762 12.770 8.744 325 HB2 LEU 113 HB2 LEU 113 -29.434 11.352 7.118 326 HB3 LEU 113 HB3 LEU 113 -27.975 12.144 7.696 327 HG LEU 113 HG LEU 113 -28.290 11.137 9.933 328 HD11 LEU 113 HD11 LEU 113 -30.777 9.857 8.701 329 HD12 LEU 113 HD12 LEU 113 -30.036 9.384 10.248 330 HD13 LEU 113 HD13 LEU 113 -30.738 10.991 10.072 331 HD21 LEU 113 HD21 LEU 113 -27.057 9.908 8.192 332 HD22 LEU 113 HD22 LEU 113 -27.909 8.808 9.287 333 HD23 LEU 113 HD23 LEU 113 -28.560 9.124 7.663 334 H GLU 114 H GLU 114 -29.170 15.578 8.188 335 HA GLU 114 HA GLU 114 -28.462 16.016 11.019 336 HB2 GLU 114 HB2 GLU 114 -26.423 15.184 10.102 337 HB3 GLU 114 HB3 GLU 114 -26.440 16.390 8.796 338 HG2 GLU 114 HG2 GLU 114 -26.232 18.202 10.487 339 HG3 GLU 114 HG3 GLU 114 -26.303 17.005 11.785 Start of MODEL 16 1 H1 MET 71 H1 MET 71 -7.061 10.058 11.048 2 H2 MET 71 H2 MET 71 -7.216 11.347 10.055 3 H3 MET 71 H3 MET 71 -7.644 11.470 11.633 4 HA MET 71 HA MET 71 -9.438 9.892 11.349 5 HB2 MET 71 HB2 MET 71 -9.921 12.308 11.097 6 HB3 MET 71 HB3 MET 71 -9.574 12.217 9.369 7 HG2 MET 71 HG2 MET 71 -11.981 12.218 9.841 8 HG3 MET 71 HG3 MET 71 -11.494 10.741 9.020 9 HE1 MET 71 HE1 MET 71 -13.781 9.604 9.567 10 HE2 MET 71 HE2 MET 71 -14.497 9.528 11.195 11 HE3 MET 71 HE3 MET 71 -14.324 11.094 10.373 12 H SER 72 H SER 72 -10.310 8.191 10.224 13 HA SER 72 HA SER 72 -8.907 6.941 8.106 14 HB2 SER 72 HB2 SER 72 -11.785 6.522 8.998 15 HB3 SER 72 HB3 SER 72 -10.797 5.385 8.066 16 HG SER 72 HG SER 72 -10.781 4.881 10.318 17 H THR 73 H THR 73 -9.577 6.403 5.971 18 HA THR 73 HA THR 73 -11.539 8.178 4.567 19 HB THR 73 HB THR 73 -10.114 8.627 2.821 20 HG1 THR 73 HG1 THR 73 -7.891 8.082 2.875 21 HG21 THR 73 HG21 THR 73 -8.551 10.219 3.779 22 HG22 THR 73 HG22 THR 73 -10.051 10.219 4.717 23 HG23 THR 73 HG23 THR 73 -8.605 9.396 5.348 24 H VAL 74 H VAL 74 -11.998 7.413 2.343 25 HA VAL 74 HA VAL 74 -11.681 4.500 1.886 26 HB VAL 74 HB VAL 74 -14.106 4.322 1.302 27 HG11 VAL 74 HG11 VAL 74 -13.642 5.022 4.220 28 HG12 VAL 74 HG12 VAL 74 -14.915 3.989 3.550 29 HG13 VAL 74 HG13 VAL 74 -13.225 3.471 3.449 30 HG21 VAL 74 HG21 VAL 74 -14.684 6.721 1.056 31 HG22 VAL 74 HG22 VAL 74 -15.740 5.884 2.198 32 HG23 VAL 74 HG23 VAL 74 -14.458 6.947 2.808 33 HA PRO 75 HA PRO 75 -11.310 5.807 -2.365 34 HB2 PRO 75 HB2 PRO 75 -12.187 3.604 -3.768 35 HB3 PRO 75 HB3 PRO 75 -10.608 3.705 -2.932 36 HG2 PRO 75 HG2 PRO 75 -13.179 2.477 -1.910 37 HG3 PRO 75 HG3 PRO 75 -11.528 1.778 -1.882 38 HD2 PRO 75 HD2 PRO 75 -12.598 2.989 0.290 39 HD3 PRO 75 HD3 PRO 75 -10.870 3.193 -0.110 40 H LYS 76 H LYS 76 -12.423 6.184 -4.312 41 HA LYS 76 HA LYS 76 -15.324 6.908 -3.946 42 HB2 LYS 76 HB2 LYS 76 -13.252 8.108 -5.806 43 HB3 LYS 76 HB3 LYS 76 -14.987 8.472 -5.762 44 HG2 LYS 76 HG2 LYS 76 -14.760 9.233 -3.401 45 HG3 LYS 76 HG3 LYS 76 -13.007 8.977 -3.513 46 HD2 LYS 76 HD2 LYS 76 -12.992 10.538 -5.520 47 HD3 LYS 76 HD3 LYS 76 -14.689 10.893 -5.206 48 HE2 LYS 76 HE2 LYS 76 -12.394 11.375 -3.234 49 HE3 LYS 76 HE3 LYS 76 -13.033 12.591 -4.342 50 HZ1 LYS 76 HZ1 LYS 76 -15.197 12.406 -3.224 51 HZ2 LYS 76 HZ2 LYS 76 -14.613 11.291 -2.172 52 HZ3 LYS 76 HZ3 LYS 76 -14.044 12.816 -2.155 53 H TYR 77 H TYR 77 -13.168 4.992 -5.985 54 HA TYR 77 HA TYR 77 -15.560 4.020 -7.500 55 HB2 TYR 77 HB2 TYR 77 -12.899 4.799 -8.742 56 HB3 TYR 77 HB3 TYR 77 -14.309 4.197 -9.584 57 HD1 TYR 77 HD2 TYR 77 -12.834 7.091 -7.824 58 HD2 TYR 77 HD1 TYR 77 -16.108 5.705 -10.264 59 HE1 TYR 77 HE2 TYR 77 -13.496 9.452 -8.279 60 HE2 TYR 77 HE1 TYR 77 -16.711 8.056 -10.776 61 HH TYR 77 HH TYR 77 -14.958 10.855 -9.407 62 H ARG 78 H ARG 78 -15.422 1.896 -8.270 63 HA ARG 78 HA ARG 78 -12.860 0.466 -8.068 64 HB2 ARG 78 HB2 ARG 78 -13.985 0.079 -5.868 65 HB3 ARG 78 HB3 ARG 78 -15.325 -0.707 -6.708 66 HG2 ARG 78 HG2 ARG 78 -13.791 -2.440 -7.586 67 HG3 ARG 78 HG3 ARG 78 -12.403 -1.545 -6.959 68 HD2 ARG 78 HD2 ARG 78 -13.446 -1.856 -4.626 69 HD3 ARG 78 HD3 ARG 78 -14.512 -3.052 -5.402 70 HE ARG 78 HE ARG 78 -11.676 -3.445 -6.020 71 HH11 ARG 78 HH11 ARG 78 -14.027 -4.174 -3.505 72 HH12 ARG 78 HH12 ARG 78 -13.079 -5.505 -2.898 73 HH21 ARG 78 HH21 ARG 78 -10.532 -5.117 -5.191 74 HH22 ARG 78 HH22 ARG 78 -11.143 -6.030 -3.839 75 H ASP 79 H ASP 79 -12.513 -0.392 -9.934 76 HA ASP 79 HA ASP 79 -14.378 -0.672 -12.060 77 HB2 ASP 79 HB2 ASP 79 -12.034 -0.321 -12.458 78 HB3 ASP 79 HB3 ASP 79 -11.601 -1.780 -11.577 79 HA PRO 80 HA PRO 80 -15.947 -4.684 -10.561 80 HB2 PRO 80 HB2 PRO 80 -17.914 -5.152 -12.404 81 HB3 PRO 80 HB3 PRO 80 -18.061 -3.949 -11.087 82 HG2 PRO 80 HG2 PRO 80 -17.220 -3.461 -13.962 83 HG3 PRO 80 HG3 PRO 80 -18.463 -2.579 -13.011 84 HD2 PRO 80 HD2 PRO 80 -15.936 -1.624 -13.260 85 HD3 PRO 80 HD3 PRO 80 -16.816 -1.493 -11.704 86 H ALA 81 H ALA 81 -14.534 -4.107 -13.735 87 HA ALA 81 HA ALA 81 -14.641 -6.857 -14.646 88 HB1 ALA 81 HB1 ALA 81 -13.023 -4.464 -15.626 89 HB2 ALA 81 HB2 ALA 81 -13.282 -5.990 -16.498 90 HB3 ALA 81 HB3 ALA 81 -14.654 -4.910 -16.162 91 H THR 82 H THR 82 -12.158 -4.912 -12.992 92 HA THR 82 HA THR 82 -10.386 -7.335 -12.758 93 HB THR 82 HB THR 82 -8.514 -5.970 -12.885 94 HG1 THR 82 HG1 THR 82 -10.325 -3.822 -13.347 95 HG21 THR 82 HG21 THR 82 -9.599 -6.894 -14.910 96 HG22 THR 82 HG22 THR 82 -10.323 -5.297 -15.219 97 HG23 THR 82 HG23 THR 82 -8.553 -5.482 -15.219 98 H GLY 83 H GLY 83 -12.010 -4.872 -10.883 99 HA2 GLY 83 HA2 GLY 83 -12.218 -4.872 -8.568 100 HA3 GLY 83 HA3 GLY 83 -10.790 -5.892 -8.399 101 H LYS 84 H LYS 84 -9.829 -3.438 -10.422 102 HA LYS 84 HA LYS 84 -8.107 -2.095 -8.580 103 HB2 LYS 84 HB2 LYS 84 -9.105 -1.378 -11.369 104 HB3 LYS 84 HB3 LYS 84 -7.888 -0.431 -10.496 105 HG2 LYS 84 HG2 LYS 84 -6.442 -2.395 -10.279 106 HG3 LYS 84 HG3 LYS 84 -7.629 -3.406 -11.111 107 HD2 LYS 84 HD2 LYS 84 -7.427 -1.957 -13.145 108 HD3 LYS 84 HD3 LYS 84 -6.171 -1.006 -12.313 109 HE2 LYS 84 HE2 LYS 84 -4.797 -3.077 -12.061 110 HE3 LYS 84 HE3 LYS 84 -6.051 -4.004 -12.896 111 HZ1 LYS 84 HZ1 LYS 84 -5.660 -2.629 -14.882 112 HZ2 LYS 84 HZ2 LYS 84 -4.492 -1.773 -14.113 113 HZ3 LYS 84 HZ3 LYS 84 -4.274 -3.357 -14.425 114 H THR 85 H THR 85 -8.130 -0.031 -7.690 115 HA THR 85 HA THR 85 -10.811 1.280 -7.384 116 HB THR 85 HB THR 85 -10.017 1.879 -5.062 117 HG1 THR 85 HG1 THR 85 -8.355 0.582 -4.205 118 HG21 THR 85 HG21 THR 85 -11.641 0.088 -5.370 119 HG22 THR 85 HG22 THR 85 -10.335 -1.094 -5.647 120 HG23 THR 85 HG23 THR 85 -10.527 -0.314 -4.059 121 H TRP 86 H TRP 86 -10.877 3.502 -6.848 122 HA TRP 86 HA TRP 86 -8.405 5.068 -6.886 123 HB2 TRP 86 HB2 TRP 86 -9.053 4.848 -9.295 124 HB3 TRP 86 HB3 TRP 86 -10.570 5.657 -8.943 125 HD1 TRP 86 HD1 TRP 86 -6.802 6.417 -8.301 126 HE1 TRP 86 HE1 TRP 86 -6.374 8.927 -8.674 127 HE3 TRP 86 HE3 TRP 86 -11.501 7.846 -9.757 128 HZ2 TRP 86 HZ2 TRP 86 -7.859 11.238 -9.530 129 HZ3 TRP 86 HZ3 TRP 86 -11.985 10.230 -10.253 130 HH2 TRP 86 HH2 TRP 86 -10.207 11.922 -10.104 131 H SER 87 H SER 87 -8.738 7.307 -6.204 132 HA SER 87 HA SER 87 -11.186 7.641 -4.481 133 HB2 SER 87 HB2 SER 87 -8.352 8.134 -3.547 134 HB3 SER 87 HB3 SER 87 -9.847 8.018 -2.587 135 HG SER 87 HG SER 87 -8.449 6.103 -2.550 136 H GLY 88 H GLY 88 -10.062 9.257 -6.965 137 HA2 GLY 88 HA2 GLY 88 -10.485 11.488 -7.526 138 HA3 GLY 88 HA3 GLY 88 -10.891 11.836 -5.863 139 H ARG 89 H ARG 89 -7.764 10.394 -6.500 140 HA ARG 89 HA ARG 89 -6.347 13.009 -6.204 141 HB2 ARG 89 HB2 ARG 89 -6.756 11.949 -3.975 142 HB3 ARG 89 HB3 ARG 89 -5.867 10.518 -4.502 143 HG2 ARG 89 HG2 ARG 89 -3.806 11.877 -4.746 144 HG3 ARG 89 HG3 ARG 89 -4.709 13.342 -4.311 145 HD2 ARG 89 HD2 ARG 89 -5.208 12.370 -2.089 146 HD3 ARG 89 HD3 ARG 89 -4.315 10.899 -2.531 147 HE ARG 89 HE ARG 89 -2.597 13.142 -2.907 148 HH11 ARG 89 HH11 ARG 89 -4.035 11.423 -0.212 149 HH12 ARG 89 HH12 ARG 89 -2.749 11.868 0.878 150 HH21 ARG 89 HH21 ARG 89 -0.999 13.691 -1.462 151 HH22 ARG 89 HH22 ARG 89 -1.081 13.129 0.181 152 H GLY 90 H GLY 90 -4.297 13.114 -7.086 153 HA2 GLY 90 HA2 GLY 90 -2.551 12.598 -8.532 154 HA3 GLY 90 HA3 GLY 90 -2.893 10.884 -8.306 155 H ARG 91 H ARG 91 -2.245 11.030 -10.669 156 HA ARG 91 HA ARG 91 -3.970 12.065 -12.693 157 HB2 ARG 91 HB2 ARG 91 -1.717 11.456 -13.098 158 HB3 ARG 91 HB3 ARG 91 -2.042 9.738 -12.751 159 HG2 ARG 91 HG2 ARG 91 -3.500 9.612 -14.741 160 HG3 ARG 91 HG3 ARG 91 -3.268 11.352 -15.038 161 HD2 ARG 91 HD2 ARG 91 -0.850 10.961 -15.355 162 HD3 ARG 91 HD3 ARG 91 -1.080 9.223 -15.050 163 HE ARG 91 HE ARG 91 -2.840 9.955 -17.146 164 HH11 ARG 91 HH11 ARG 91 0.633 9.720 -16.713 165 HH12 ARG 91 HH12 ARG 91 0.915 9.415 -18.406 166 HH21 ARG 91 HH21 ARG 91 -2.407 9.568 -19.295 167 HH22 ARG 91 HH22 ARG 91 -0.766 9.320 -19.819 168 H GLN 92 H GLN 92 -5.795 11.361 -13.606 169 HA GLN 92 HA GLN 92 -7.487 9.433 -12.379 170 HB2 GLN 92 HB2 GLN 92 -8.146 11.472 -13.720 171 HB3 GLN 92 HB3 GLN 92 -7.676 10.604 -15.188 172 HG2 GLN 92 HG2 GLN 92 -9.359 8.809 -14.549 173 HG3 GLN 92 HG3 GLN 92 -9.839 9.844 -13.197 174 HE21 GLN 92 HE22 GLN 92 -10.000 9.393 -16.714 175 HE22 GLN 92 HE21 GLN 92 -11.133 10.704 -16.987 176 HA PRO 93 HA PRO 93 -5.828 5.819 -14.563 177 HB2 PRO 93 HB2 PRO 93 -7.540 3.880 -13.746 178 HB3 PRO 93 HB3 PRO 93 -6.349 4.636 -12.644 179 HG2 PRO 93 HG2 PRO 93 -9.290 5.316 -12.948 180 HG3 PRO 93 HG3 PRO 93 -8.368 5.026 -11.446 181 HD2 PRO 93 HD2 PRO 93 -8.839 7.544 -12.399 182 HD3 PRO 93 HD3 PRO 93 -7.315 7.126 -11.557 183 H ALA 94 H ALA 94 -6.294 4.493 -16.380 184 HA ALA 94 HA ALA 94 -7.820 5.759 -18.354 185 HB1 ALA 94 HB1 ALA 94 -6.729 2.912 -18.308 186 HB2 ALA 94 HB2 ALA 94 -7.188 3.839 -19.751 187 HB3 ALA 94 HB3 ALA 94 -5.824 4.380 -18.757 188 H TRP 95 H TRP 95 -8.812 2.975 -16.341 189 HA TRP 95 HA TRP 95 -11.140 2.282 -17.865 190 HB2 TRP 95 HB2 TRP 95 -11.859 1.101 -15.792 191 HB3 TRP 95 HB3 TRP 95 -10.276 0.657 -16.392 192 HD1 TRP 95 HD1 TRP 95 -8.191 1.165 -14.895 193 HE1 TRP 95 HE1 TRP 95 -7.916 1.621 -12.389 194 HE3 TRP 95 HE3 TRP 95 -13.103 2.218 -13.684 195 HZ2 TRP 95 HZ2 TRP 95 -9.570 2.310 -10.165 196 HZ3 TRP 95 HZ3 TRP 95 -13.700 2.660 -11.337 197 HH2 TRP 95 HH2 TRP 95 -11.957 2.717 -9.577 198 H LEU 96 H LEU 96 -10.627 4.969 -15.685 199 HA LEU 96 HA LEU 96 -13.342 5.268 -14.852 200 HB2 LEU 96 HB2 LEU 96 -10.947 6.435 -14.118 201 HB3 LEU 96 HB3 LEU 96 -11.681 7.731 -15.052 202 HG LEU 96 HG LEU 96 -13.845 7.143 -13.593 203 HD11 LEU 96 HD11 LEU 96 -12.781 5.120 -12.562 204 HD12 LEU 96 HD12 LEU 96 -11.564 6.165 -11.808 205 HD13 LEU 96 HD13 LEU 96 -13.272 6.325 -11.365 206 HD21 LEU 96 HD21 LEU 96 -13.159 8.726 -11.876 207 HD22 LEU 96 HD22 LEU 96 -11.465 8.569 -12.375 208 HD23 LEU 96 HD23 LEU 96 -12.660 9.296 -13.477 209 H GLY 97 H GLY 97 -11.819 6.083 -17.857 210 HA2 GLY 97 HA2 GLY 97 -13.056 8.477 -18.599 211 HA3 GLY 97 HA3 GLY 97 -12.398 7.261 -19.702 212 H ASN 98 H ASN 98 -14.196 5.179 -19.275 213 HA ASN 98 HA ASN 98 -15.977 5.780 -21.351 214 HB2 ASN 98 HB2 ASN 98 -15.164 3.516 -20.798 215 HB3 ASN 98 HB3 ASN 98 -16.125 3.509 -19.316 216 HD21 ASN 98 HD22 ASN 98 -17.970 2.261 -19.587 217 HD22 ASN 98 HD21 ASN 98 -18.875 2.170 -21.089 218 H ASP 99 H ASP 99 -16.874 5.394 -17.900 219 HA ASP 99 HA ASP 99 -18.924 7.424 -18.006 220 HB2 ASP 99 HB2 ASP 99 -20.204 5.633 -19.096 221 HB3 ASP 99 HB3 ASP 99 -19.863 4.539 -17.760 222 HA PRO 100 HA PRO 100 -16.557 6.640 -14.171 223 HB2 PRO 100 HB2 PRO 100 -16.924 9.134 -12.948 224 HB3 PRO 100 HB3 PRO 100 -15.632 8.684 -14.098 225 HG2 PRO 100 HG2 PRO 100 -18.247 10.087 -14.662 226 HG3 PRO 100 HG3 PRO 100 -16.618 10.462 -15.310 227 HD2 PRO 100 HD2 PRO 100 -18.437 9.084 -16.760 228 HD3 PRO 100 HD3 PRO 100 -16.707 8.641 -16.828 229 H ALA 101 H ALA 101 -19.887 7.910 -14.156 230 HA ALA 101 HA ALA 101 -20.437 7.331 -11.414 231 HB1 ALA 101 HB1 ALA 101 -22.776 7.684 -12.083 232 HB2 ALA 101 HB2 ALA 101 -21.713 8.932 -12.761 233 HB3 ALA 101 HB3 ALA 101 -22.310 7.609 -13.798 234 H ALA 102 H ALA 102 -20.190 5.132 -14.150 235 HA ALA 102 HA ALA 102 -22.150 3.211 -13.382 236 HB1 ALA 102 HB1 ALA 102 -20.991 1.762 -14.981 237 HB2 ALA 102 HB2 ALA 102 -21.149 3.404 -15.635 238 HB3 ALA 102 HB3 ALA 102 -19.587 2.849 -14.991 239 H PHE 103 H PHE 103 -18.832 3.646 -12.296 240 HA PHE 103 HA PHE 103 -19.054 1.330 -10.413 241 HB2 PHE 103 HB2 PHE 103 -16.519 1.129 -10.939 242 HB3 PHE 103 HB3 PHE 103 -17.697 0.530 -12.089 243 HD1 PHE 103 HD2 PHE 103 -15.923 3.771 -11.363 244 HD2 PHE 103 HD1 PHE 103 -17.308 0.980 -14.338 245 HE1 PHE 103 HE2 PHE 103 -15.123 5.274 -13.136 246 HE2 PHE 103 HE1 PHE 103 -16.456 2.473 -16.127 247 HZ PHE 103 HZ PHE 103 -15.399 4.638 -15.539 248 H LEU 104 H LEU 104 -19.428 4.372 -10.130 249 HA LEU 104 HA LEU 104 -17.460 5.153 -8.117 250 HB2 LEU 104 HB2 LEU 104 -18.946 6.608 -9.710 251 HB3 LEU 104 HB3 LEU 104 -20.198 6.409 -8.493 252 HG LEU 104 HG LEU 104 -17.398 7.519 -7.959 253 HD11 LEU 104 HD11 LEU 104 -18.405 9.745 -8.037 254 HD12 LEU 104 HD12 LEU 104 -18.642 8.922 -9.584 255 HD13 LEU 104 HD13 LEU 104 -19.994 9.041 -8.436 256 HD21 LEU 104 HD21 LEU 104 -19.943 7.740 -6.292 257 HD22 LEU 104 HD22 LEU 104 -18.488 6.811 -5.874 258 HD23 LEU 104 HD23 LEU 104 -18.388 8.555 -5.960 259 H ILE 105 H ILE 105 -17.502 4.606 -6.042 260 HA ILE 105 HA ILE 105 -19.303 2.569 -5.015 261 HB ILE 105 HB ILE 105 -17.142 4.181 -3.597 262 HG12 ILE 105 HG12 ILE 105 -16.941 1.345 -4.723 263 HG13 ILE 105 HG13 ILE 105 -16.382 2.763 -5.607 264 HG21 ILE 105 HG21 ILE 105 -18.753 3.154 -2.020 265 HG22 ILE 105 HG22 ILE 105 -18.661 1.616 -2.902 266 HG23 ILE 105 HG23 ILE 105 -17.267 2.225 -1.982 267 HD11 ILE 105 HD11 ILE 105 -15.304 1.788 -2.952 268 HD12 ILE 105 HD12 ILE 105 -14.468 1.890 -4.508 269 HD13 ILE 105 HD13 ILE 105 -14.933 3.378 -3.663 270 H GLN 106 H GLN 106 -21.162 2.844 -3.955 271 HA GLN 106 HA GLN 106 -21.807 5.369 -2.528 272 HB2 GLN 106 HB2 GLN 106 -23.442 4.022 -4.723 273 HB3 GLN 106 HB3 GLN 106 -24.149 5.170 -3.605 274 HG2 GLN 106 HG2 GLN 106 -21.849 5.819 -5.506 275 HG3 GLN 106 HG3 GLN 106 -23.544 6.155 -5.807 276 HE21 GLN 106 HE22 GLN 106 -20.728 7.128 -3.851 277 HE22 GLN 106 HE21 GLN 106 -21.464 8.636 -3.301 278 HA PRO 107 HA PRO 107 -23.404 2.573 0.495 279 HB2 PRO 107 HB2 PRO 107 -25.069 4.109 1.986 280 HB3 PRO 107 HB3 PRO 107 -23.332 4.469 1.817 281 HG2 PRO 107 HG2 PRO 107 -25.613 5.665 0.204 282 HG3 PRO 107 HG3 PRO 107 -24.337 6.536 1.114 283 HD2 PRO 107 HD2 PRO 107 -24.108 6.044 -1.544 284 HD3 PRO 107 HD3 PRO 107 -22.687 5.970 -0.461 285 H ASP 108 H ASP 108 -24.488 1.708 -1.804 286 HA ASP 108 HA ASP 108 -27.275 1.625 -1.982 287 HB2 ASP 108 HB2 ASP 108 -25.630 1.060 -3.772 288 HB3 ASP 108 HB3 ASP 108 -25.250 -0.435 -2.915 289 H LEU 109 H LEU 109 -25.211 0.074 0.206 290 HA LEU 109 HA LEU 109 -27.359 -1.563 1.371 291 HB2 LEU 109 HB2 LEU 109 -24.371 -2.178 1.189 292 HB3 LEU 109 HB3 LEU 109 -25.405 -2.944 2.359 293 HG LEU 109 HG LEU 109 -25.059 -4.483 0.660 294 HD11 LEU 109 HD11 LEU 109 -27.281 -5.068 -0.076 295 HD12 LEU 109 HD12 LEU 109 -27.375 -4.396 1.563 296 HD13 LEU 109 HD13 LEU 109 -27.861 -3.413 0.161 297 HD21 LEU 109 HD21 LEU 109 -24.430 -2.916 -1.179 298 HD22 LEU 109 HD22 LEU 109 -25.497 -4.247 -1.669 299 HD23 LEU 109 HD23 LEU 109 -26.162 -2.624 -1.458 300 HA PRO 110 HA PRO 110 -27.103 0.799 5.074 301 HB2 PRO 110 HB2 PRO 110 -26.468 -1.728 6.562 302 HB3 PRO 110 HB3 PRO 110 -27.622 -0.406 6.951 303 HG2 PRO 110 HG2 PRO 110 -28.521 -2.705 5.818 304 HG3 PRO 110 HG3 PRO 110 -29.141 -1.121 5.255 305 HD2 PRO 110 HD2 PRO 110 -27.044 -2.878 3.987 306 HD3 PRO 110 HD3 PRO 110 -28.366 -1.952 3.220 307 H ALA 111 H ALA 111 -25.645 2.098 5.967 308 HA ALA 111 HA ALA 111 -22.863 1.278 6.565 309 HB1 ALA 111 HB1 ALA 111 -22.910 1.843 4.143 310 HB2 ALA 111 HB2 ALA 111 -23.636 3.417 4.519 311 HB3 ALA 111 HB3 ALA 111 -21.979 3.046 5.054 312 H ILE 112 H ILE 112 -21.616 3.271 7.376 313 HA ILE 112 HA ILE 112 -23.182 4.709 9.358 314 HB ILE 112 HB ILE 112 -21.100 3.573 9.938 315 HG12 ILE 112 HG12 ILE 112 -20.028 5.243 11.322 316 HG13 ILE 112 HG13 ILE 112 -20.768 6.559 10.420 317 HG21 ILE 112 HG21 ILE 112 -19.568 5.635 8.312 318 HG22 ILE 112 HG22 ILE 112 -18.892 4.372 9.347 319 HG23 ILE 112 HG23 ILE 112 -19.777 3.923 7.888 320 HD11 ILE 112 HD11 ILE 112 -22.996 5.912 11.231 321 HD12 ILE 112 HD12 ILE 112 -22.311 4.462 12.017 322 HD13 ILE 112 HD13 ILE 112 -21.884 6.086 12.595 323 H LEU 113 H LEU 113 -24.235 5.417 7.390 324 HA LEU 113 HA LEU 113 -23.600 8.258 6.784 325 HB2 LEU 113 HB2 LEU 113 -22.511 6.794 5.080 326 HB3 LEU 113 HB3 LEU 113 -24.059 6.087 4.684 327 HG LEU 113 HG LEU 113 -23.168 7.735 3.064 328 HD11 LEU 113 HD11 LEU 113 -25.623 7.259 3.205 329 HD12 LEU 113 HD12 LEU 113 -25.806 8.747 4.161 330 HD13 LEU 113 HD13 LEU 113 -25.193 8.828 2.508 331 HD21 LEU 113 HD21 LEU 113 -23.220 10.111 3.473 332 HD22 LEU 113 HD22 LEU 113 -23.831 9.879 5.122 333 HD23 LEU 113 HD23 LEU 113 -22.191 9.346 4.689 334 H GLU 114 H GLU 114 -25.389 9.431 7.049 335 HA GLU 114 HA GLU 114 -28.079 8.448 6.330 336 HB2 GLU 114 HB2 GLU 114 -27.826 7.745 8.601 337 HB3 GLU 114 HB3 GLU 114 -27.392 9.387 9.120 338 HG2 GLU 114 HG2 GLU 114 -29.643 10.184 8.456 339 HG3 GLU 114 HG3 GLU 114 -30.050 8.573 7.853 Start of MODEL 17 1 H1 MET 71 H1 MET 71 -8.535 3.424 9.090 2 H2 MET 71 H2 MET 71 -7.604 2.078 9.210 3 H3 MET 71 H3 MET 71 -7.054 3.508 9.776 4 HA MET 71 HA MET 71 -5.951 3.011 7.732 5 HB2 MET 71 HB2 MET 71 -7.101 2.814 5.617 6 HB3 MET 71 HB3 MET 71 -7.587 1.534 6.707 7 HG2 MET 71 HG2 MET 71 -9.265 4.012 6.103 8 HG3 MET 71 HG3 MET 71 -9.392 2.477 5.269 9 HE1 MET 71 HE1 MET 71 -11.999 2.457 5.678 10 HE2 MET 71 HE2 MET 71 -12.745 2.628 7.285 11 HE3 MET 71 HE3 MET 71 -11.878 4.001 6.565 12 H SER 72 H SER 72 -4.980 4.757 6.807 13 HA SER 72 HA SER 72 -5.814 7.366 7.645 14 HB2 SER 72 HB2 SER 72 -3.702 6.602 5.597 15 HB3 SER 72 HB3 SER 72 -3.811 8.130 6.486 16 HG SER 72 HG SER 72 -3.379 7.013 8.412 17 H THR 73 H THR 73 -6.444 5.638 4.667 18 HA THR 73 HA THR 73 -8.021 7.903 3.629 19 HB THR 73 HB THR 73 -5.946 8.319 2.711 20 HG1 THR 73 HG1 THR 73 -6.630 8.472 0.579 21 HG21 THR 73 HG21 THR 73 -4.927 6.047 2.532 22 HG22 THR 73 HG22 THR 73 -6.114 5.618 1.277 23 HG23 THR 73 HG23 THR 73 -4.899 6.876 0.972 24 H VAL 74 H VAL 74 -9.303 7.161 1.639 25 HA VAL 74 HA VAL 74 -10.035 4.297 1.613 26 HB VAL 74 HB VAL 74 -12.470 4.864 1.752 27 HG11 VAL 74 HG11 VAL 74 -12.596 4.913 4.166 28 HG12 VAL 74 HG12 VAL 74 -11.245 3.876 3.663 29 HG13 VAL 74 HG13 VAL 74 -10.932 5.514 4.288 30 HG21 VAL 74 HG21 VAL 74 -12.397 7.302 1.345 31 HG22 VAL 74 HG22 VAL 74 -13.214 6.906 2.863 32 HG23 VAL 74 HG23 VAL 74 -11.555 7.536 2.893 33 HA PRO 75 HA PRO 75 -10.621 5.210 -2.725 34 HB2 PRO 75 HB2 PRO 75 -12.241 3.198 -3.563 35 HB3 PRO 75 HB3 PRO 75 -10.547 2.935 -3.056 36 HG2 PRO 75 HG2 PRO 75 -13.054 2.587 -1.385 37 HG3 PRO 75 HG3 PRO 75 -11.711 1.421 -1.611 38 HD2 PRO 75 HD2 PRO 75 -11.821 3.069 0.547 39 HD3 PRO 75 HD3 PRO 75 -10.262 2.694 -0.242 40 H LYS 76 H LYS 76 -12.157 5.714 -4.304 41 HA LYS 76 HA LYS 76 -14.853 6.687 -3.417 42 HB2 LYS 76 HB2 LYS 76 -13.272 8.505 -3.555 43 HB3 LYS 76 HB3 LYS 76 -12.933 8.168 -5.258 44 HG2 LYS 76 HG2 LYS 76 -15.271 8.689 -5.838 45 HG3 LYS 76 HG3 LYS 76 -15.683 8.874 -4.123 46 HD2 LYS 76 HD2 LYS 76 -14.153 10.817 -3.946 47 HD3 LYS 76 HD3 LYS 76 -13.632 10.575 -5.613 48 HE2 LYS 76 HE2 LYS 76 -15.166 12.374 -5.674 49 HE3 LYS 76 HE3 LYS 76 -15.991 10.986 -6.386 50 HZ1 LYS 76 HZ1 LYS 76 -17.403 12.221 -4.796 51 HZ2 LYS 76 HZ2 LYS 76 -17.180 10.705 -4.241 52 HZ3 LYS 76 HZ3 LYS 76 -16.357 11.958 -3.577 53 H TYR 77 H TYR 77 -12.970 5.000 -5.831 54 HA TYR 77 HA TYR 77 -15.437 4.326 -7.376 55 HB2 TYR 77 HB2 TYR 77 -12.728 4.952 -8.598 56 HB3 TYR 77 HB3 TYR 77 -14.230 4.632 -9.444 57 HD1 TYR 77 HD2 TYR 77 -12.402 7.078 -7.332 58 HD2 TYR 77 HD1 TYR 77 -15.719 6.453 -10.014 59 HE1 TYR 77 HE2 TYR 77 -12.732 9.542 -7.510 60 HE2 TYR 77 HE1 TYR 77 -15.989 8.913 -10.240 61 HH TYR 77 HH TYR 77 -15.249 11.006 -9.592 62 H ARG 78 H ARG 78 -15.433 2.257 -8.278 63 HA ARG 78 HA ARG 78 -13.058 0.506 -8.051 64 HB2 ARG 78 HB2 ARG 78 -14.327 0.208 -5.941 65 HB3 ARG 78 HB3 ARG 78 -15.775 -0.205 -6.869 66 HG2 ARG 78 HG2 ARG 78 -14.632 -2.207 -7.801 67 HG3 ARG 78 HG3 ARG 78 -13.127 -1.732 -7.017 68 HD2 ARG 78 HD2 ARG 78 -14.124 -3.474 -5.710 69 HD3 ARG 78 HD3 ARG 78 -14.223 -1.963 -4.790 70 HE ARG 78 HE ARG 78 -16.629 -2.407 -6.349 71 HH11 ARG 78 HH21 ARG 78 -15.108 -3.569 -3.410 72 HH12 ARG 78 HH22 ARG 78 -16.632 -4.013 -2.689 73 HH21 ARG 78 HH11 ARG 78 -18.535 -3.013 -5.374 74 HH22 ARG 78 HH12 ARG 78 -18.512 -3.715 -3.784 75 H ASP 79 H ASP 79 -12.761 -0.301 -9.997 76 HA ASP 79 HA ASP 79 -14.639 -0.312 -12.157 77 HB2 ASP 79 HB2 ASP 79 -12.269 -0.207 -12.553 78 HB3 ASP 79 HB3 ASP 79 -11.992 -1.721 -11.704 79 HA PRO 80 HA PRO 80 -16.639 -4.121 -10.655 80 HB2 PRO 80 HB2 PRO 80 -18.577 -4.448 -12.571 81 HB3 PRO 80 HB3 PRO 80 -18.649 -3.201 -11.290 82 HG2 PRO 80 HG2 PRO 80 -17.667 -2.875 -14.144 83 HG3 PRO 80 HG3 PRO 80 -18.838 -1.850 -13.247 84 HD2 PRO 80 HD2 PRO 80 -16.224 -1.165 -13.444 85 HD3 PRO 80 HD3 PRO 80 -17.129 -0.909 -11.916 86 H ALA 81 H ALA 81 -15.113 -3.864 -13.834 87 HA ALA 81 HA ALA 81 -15.470 -6.658 -14.544 88 HB1 ALA 81 HB1 ALA 81 -13.670 -4.489 -15.704 89 HB2 ALA 81 HB2 ALA 81 -14.041 -6.052 -16.455 90 HB3 ALA 81 HB3 ALA 81 -15.329 -4.855 -16.217 91 H THR 82 H THR 82 -12.911 -4.827 -12.928 92 HA THR 82 HA THR 82 -11.214 -7.303 -12.685 93 HB THR 82 HB THR 82 -9.314 -5.967 -12.763 94 HG1 THR 82 HG1 THR 82 -11.081 -3.802 -13.309 95 HG21 THR 82 HG21 THR 82 -9.303 -5.466 -15.100 96 HG22 THR 82 HG22 THR 82 -10.351 -6.879 -14.811 97 HG23 THR 82 HG23 THR 82 -11.075 -5.285 -15.136 98 H GLY 83 H GLY 83 -12.751 -4.769 -10.799 99 HA2 GLY 83 HA2 GLY 83 -12.860 -4.574 -8.503 100 HA3 GLY 83 HA3 GLY 83 -11.623 -5.815 -8.303 101 H LYS 84 H LYS 84 -10.435 -3.514 -10.487 102 HA LYS 84 HA LYS 84 -8.483 -2.313 -8.731 103 HB2 LYS 84 HB2 LYS 84 -9.503 -1.598 -11.516 104 HB3 LYS 84 HB3 LYS 84 -8.203 -0.717 -10.691 105 HG2 LYS 84 HG2 LYS 84 -6.882 -2.756 -10.457 106 HG3 LYS 84 HG3 LYS 84 -8.150 -3.717 -11.223 107 HD2 LYS 84 HD2 LYS 84 -7.916 -2.366 -13.313 108 HD3 LYS 84 HD3 LYS 84 -6.584 -1.455 -12.554 109 HE2 LYS 84 HE2 LYS 84 -5.326 -3.584 -12.245 110 HE3 LYS 84 HE3 LYS 84 -6.648 -4.477 -13.008 111 HZ1 LYS 84 HZ1 LYS 84 -4.992 -2.388 -14.349 112 HZ2 LYS 84 HZ2 LYS 84 -4.881 -3.996 -14.605 113 HZ3 LYS 84 HZ3 LYS 84 -6.227 -3.192 -15.061 114 H THR 85 H THR 85 -8.334 -0.230 -7.893 115 HA THR 85 HA THR 85 -10.895 1.305 -7.621 116 HB THR 85 HB THR 85 -10.216 1.737 -5.237 117 HG1 THR 85 HG1 THR 85 -8.737 0.251 -4.324 118 HG21 THR 85 HG21 THR 85 -10.735 -1.185 -5.920 119 HG22 THR 85 HG22 THR 85 -11.015 -0.401 -4.351 120 HG23 THR 85 HG23 THR 85 -11.957 0.095 -5.764 121 H TRP 86 H TRP 86 -10.761 3.464 -6.897 122 HA TRP 86 HA TRP 86 -8.175 4.847 -6.880 123 HB2 TRP 86 HB2 TRP 86 -8.799 4.809 -9.279 124 HB3 TRP 86 HB3 TRP 86 -10.328 5.589 -8.901 125 HD1 TRP 86 HD1 TRP 86 -6.580 6.396 -8.174 126 HE1 TRP 86 HE1 TRP 86 -6.218 8.933 -8.450 127 HE3 TRP 86 HE3 TRP 86 -11.289 7.749 -9.652 128 HZ2 TRP 86 HZ2 TRP 86 -7.763 11.230 -9.215 129 HZ3 TRP 86 HZ3 TRP 86 -11.841 10.137 -10.027 130 HH2 TRP 86 HH2 TRP 86 -10.130 11.875 -9.739 131 H SER 87 H SER 87 -8.487 7.182 -6.147 132 HA SER 87 HA SER 87 -10.813 7.361 -4.257 133 HB2 SER 87 HB2 SER 87 -9.140 8.041 -2.549 134 HB3 SER 87 HB3 SER 87 -8.808 6.431 -3.210 135 HG SER 87 HG SER 87 -6.894 7.672 -3.162 136 H GLY 88 H GLY 88 -9.912 9.091 -6.820 137 HA2 GLY 88 HA2 GLY 88 -10.859 11.187 -7.312 138 HA3 GLY 88 HA3 GLY 88 -11.097 11.505 -5.613 139 H ARG 89 H ARG 89 -7.857 10.574 -6.232 140 HA ARG 89 HA ARG 89 -6.887 13.354 -6.629 141 HB2 ARG 89 HB2 ARG 89 -5.350 13.199 -4.747 142 HB3 ARG 89 HB3 ARG 89 -7.022 13.054 -4.216 143 HG2 ARG 89 HG2 ARG 89 -6.733 10.559 -4.055 144 HG3 ARG 89 HG3 ARG 89 -5.045 10.753 -4.546 145 HD2 ARG 89 HD2 ARG 89 -5.093 10.534 -2.162 146 HD3 ARG 89 HD3 ARG 89 -4.672 12.211 -2.550 147 HE ARG 89 HE ARG 89 -7.536 11.804 -2.146 148 HH11 ARG 89 HH11 ARG 89 -4.578 12.327 -0.334 149 HH12 ARG 89 HH12 ARG 89 -5.424 13.003 1.030 150 HH21 ARG 89 HH21 ARG 89 -8.548 12.706 -0.386 151 HH22 ARG 89 HH22 ARG 89 -7.622 13.196 1.000 152 H GLY 90 H GLY 90 -4.708 13.569 -7.275 153 HA2 GLY 90 HA2 GLY 90 -2.931 13.048 -8.678 154 HA3 GLY 90 HA3 GLY 90 -3.123 11.346 -8.268 155 H ARG 91 H ARG 91 -2.490 11.326 -10.668 156 HA ARG 91 HA ARG 91 -4.401 11.967 -12.727 157 HB2 ARG 91 HB2 ARG 91 -2.061 11.724 -13.132 158 HB3 ARG 91 HB3 ARG 91 -2.091 10.004 -12.690 159 HG2 ARG 91 HG2 ARG 91 -3.568 9.531 -14.624 160 HG3 ARG 91 HG3 ARG 91 -3.628 11.258 -15.019 161 HD2 ARG 91 HD2 ARG 91 -1.186 11.266 -15.391 162 HD3 ARG 91 HD3 ARG 91 -1.100 9.547 -15.002 163 HE ARG 91 HE ARG 91 -2.177 10.810 -17.457 164 HH11 ARG 91 HH11 ARG 91 -1.845 7.759 -15.746 165 HH12 ARG 91 HH12 ARG 91 -2.144 6.820 -17.181 166 HH21 ARG 91 HH21 ARG 91 -2.555 9.556 -19.232 167 HH22 ARG 91 HH22 ARG 91 -2.543 7.822 -19.111 168 H GLN 92 H GLN 92 -6.292 10.998 -13.189 169 HA GLN 92 HA GLN 92 -7.307 8.703 -11.878 170 HB2 GLN 92 HB2 GLN 92 -9.101 8.758 -13.567 171 HB3 GLN 92 HB3 GLN 92 -8.815 10.316 -12.791 172 HG2 GLN 92 HG2 GLN 92 -7.684 11.144 -14.817 173 HG3 GLN 92 HG3 GLN 92 -7.789 9.541 -15.561 174 HE21 GLN 92 HE22 GLN 92 -9.863 12.245 -14.324 175 HE22 GLN 92 HE21 GLN 92 -11.185 11.876 -15.418 176 HA PRO 93 HA PRO 93 -5.712 5.334 -14.427 177 HB2 PRO 93 HB2 PRO 93 -7.406 3.318 -13.818 178 HB3 PRO 93 HB3 PRO 93 -6.282 3.998 -12.607 179 HG2 PRO 93 HG2 PRO 93 -9.218 4.682 -12.996 180 HG3 PRO 93 HG3 PRO 93 -8.374 4.245 -11.478 181 HD2 PRO 93 HD2 PRO 93 -8.816 6.845 -12.216 182 HD3 PRO 93 HD3 PRO 93 -7.340 6.351 -11.333 183 H ALA 94 H ALA 94 -6.287 4.008 -16.306 184 HA ALA 94 HA ALA 94 -7.651 5.468 -18.256 185 HB1 ALA 94 HB1 ALA 94 -5.857 3.848 -18.700 186 HB2 ALA 94 HB2 ALA 94 -6.926 2.501 -18.241 187 HB3 ALA 94 HB3 ALA 94 -7.290 3.479 -19.679 188 H TRP 95 H TRP 95 -8.971 2.730 -16.334 189 HA TRP 95 HA TRP 95 -11.394 2.416 -17.834 190 HB2 TRP 95 HB2 TRP 95 -12.231 1.276 -15.774 191 HB3 TRP 95 HB3 TRP 95 -10.732 0.643 -16.434 192 HD1 TRP 95 HD1 TRP 95 -8.600 0.745 -14.960 193 HE1 TRP 95 HE1 TRP 95 -8.195 1.137 -12.461 194 HE3 TRP 95 HE3 TRP 95 -13.225 2.626 -13.656 195 HZ2 TRP 95 HZ2 TRP 95 -9.672 2.068 -10.197 196 HZ3 TRP 95 HZ3 TRP 95 -13.684 3.181 -11.300 197 HH2 TRP 95 HH2 TRP 95 -11.935 2.913 -9.570 198 H LEU 96 H LEU 96 -10.508 4.930 -15.564 199 HA LEU 96 HA LEU 96 -13.181 5.641 -14.794 200 HB2 LEU 96 HB2 LEU 96 -10.729 6.338 -13.863 201 HB3 LEU 96 HB3 LEU 96 -11.019 7.709 -14.921 202 HG LEU 96 HG LEU 96 -13.426 7.687 -13.685 203 HD11 LEU 96 HD11 LEU 96 -12.900 5.618 -12.391 204 HD12 LEU 96 HD12 LEU 96 -11.526 6.444 -11.643 205 HD13 LEU 96 HD13 LEU 96 -13.177 7.013 -11.329 206 HD21 LEU 96 HD21 LEU 96 -10.957 8.769 -12.306 207 HD22 LEU 96 HD22 LEU 96 -11.829 9.569 -13.632 208 HD23 LEU 96 HD23 LEU 96 -12.638 9.299 -12.087 209 H GLY 97 H GLY 97 -11.423 6.118 -17.732 210 HA2 GLY 97 HA2 GLY 97 -12.497 8.686 -18.495 211 HA3 GLY 97 HA3 GLY 97 -11.471 7.626 -19.457 212 H ASN 98 H ASN 98 -14.798 7.163 -18.137 213 HA ASN 98 HA ASN 98 -15.928 7.225 -20.872 214 HB2 ASN 98 HB2 ASN 98 -15.190 4.892 -20.650 215 HB3 ASN 98 HB3 ASN 98 -16.054 4.723 -19.130 216 HD21 ASN 98 HD22 ASN 98 -17.571 3.138 -19.762 217 HD22 ASN 98 HD21 ASN 98 -18.731 3.414 -21.053 218 H ASP 99 H ASP 99 -17.081 6.072 -17.632 219 HA ASP 99 HA ASP 99 -19.102 8.221 -17.519 220 HB2 ASP 99 HB2 ASP 99 -20.133 6.613 -19.028 221 HB3 ASP 99 HB3 ASP 99 -19.841 5.299 -17.885 222 HA PRO 100 HA PRO 100 -17.144 7.270 -13.453 223 HB2 PRO 100 HB2 PRO 100 -18.785 9.716 -12.891 224 HB3 PRO 100 HB3 PRO 100 -17.183 9.215 -12.237 225 HG2 PRO 100 HG2 PRO 100 -17.305 10.959 -14.306 226 HG3 PRO 100 HG3 PRO 100 -16.103 9.627 -14.315 227 HD2 PRO 100 HD2 PRO 100 -18.711 9.821 -15.803 228 HD3 PRO 100 HD3 PRO 100 -17.149 9.127 -16.326 229 H ALA 101 H ALA 101 -20.656 7.903 -13.824 230 HA ALA 101 HA ALA 101 -21.379 6.899 -11.285 231 HB1 ALA 101 HB1 ALA 101 -23.000 7.054 -13.865 232 HB2 ALA 101 HB2 ALA 101 -23.671 6.883 -12.227 233 HB3 ALA 101 HB3 ALA 101 -22.805 8.364 -12.677 234 H ALA 102 H ALA 102 -20.479 5.071 -14.134 235 HA ALA 102 HA ALA 102 -21.901 2.639 -13.498 236 HB1 ALA 102 HB1 ALA 102 -20.425 1.671 -15.205 237 HB2 ALA 102 HB2 ALA 102 -21.067 3.227 -15.758 238 HB3 ALA 102 HB3 ALA 102 -19.394 3.115 -15.167 239 H PHE 103 H PHE 103 -18.911 4.012 -12.279 240 HA PHE 103 HA PHE 103 -18.395 1.555 -10.656 241 HB2 PHE 103 HB2 PHE 103 -15.915 2.015 -11.158 242 HB3 PHE 103 HB3 PHE 103 -16.915 1.253 -12.383 243 HD1 PHE 103 HD1 PHE 103 -15.689 4.630 -11.345 244 HD2 PHE 103 HD2 PHE 103 -16.961 2.079 -14.573 245 HE1 PHE 103 HE1 PHE 103 -15.214 6.437 -12.960 246 HE2 PHE 103 HE2 PHE 103 -16.480 3.888 -16.198 247 HZ PHE 103 HZ PHE 103 -15.605 6.070 -15.396 248 H LEU 104 H LEU 104 -19.000 4.862 -10.385 249 HA LEU 104 HA LEU 104 -17.424 5.580 -8.122 250 HB2 LEU 104 HB2 LEU 104 -20.086 6.332 -9.266 251 HB3 LEU 104 HB3 LEU 104 -19.875 6.675 -7.559 252 HG LEU 104 HG LEU 104 -17.880 7.596 -9.635 253 HD11 LEU 104 HD11 LEU 104 -18.966 9.812 -9.480 254 HD12 LEU 104 HD12 LEU 104 -20.065 8.597 -10.142 255 HD13 LEU 104 HD13 LEU 104 -20.239 9.122 -8.453 256 HD21 LEU 104 HD21 LEU 104 -17.313 9.268 -7.823 257 HD22 LEU 104 HD22 LEU 104 -18.439 8.428 -6.740 258 HD23 LEU 104 HD23 LEU 104 -16.985 7.610 -7.347 259 H ILE 105 H ILE 105 -17.510 5.076 -5.964 260 HA ILE 105 HA ILE 105 -19.152 2.817 -5.041 261 HB ILE 105 HB ILE 105 -17.307 4.733 -3.550 262 HG12 ILE 105 HG12 ILE 105 -16.951 1.785 -4.260 263 HG13 ILE 105 HG13 ILE 105 -16.276 3.110 -5.203 264 HG21 ILE 105 HG21 ILE 105 -18.744 2.231 -2.535 265 HG22 ILE 105 HG22 ILE 105 -17.555 3.185 -1.627 266 HG23 ILE 105 HG23 ILE 105 -19.102 3.902 -2.033 267 HD11 ILE 105 HD11 ILE 105 -15.121 3.931 -3.128 268 HD12 ILE 105 HD12 ILE 105 -15.560 2.390 -2.353 269 HD13 ILE 105 HD13 ILE 105 -14.528 2.388 -3.797 270 H GLN 106 H GLN 106 -21.219 2.981 -4.465 271 HA GLN 106 HA GLN 106 -22.407 5.595 -3.706 272 HB2 GLN 106 HB2 GLN 106 -24.126 5.315 -5.477 273 HB3 GLN 106 HB3 GLN 106 -22.492 5.526 -6.113 274 HG2 GLN 106 HG2 GLN 106 -22.457 2.924 -6.342 275 HG3 GLN 106 HG3 GLN 106 -24.193 3.009 -6.058 276 HE21 GLN 106 HE22 GLN 106 -21.562 3.742 -8.299 277 HE22 GLN 106 HE21 GLN 106 -22.602 4.120 -9.677 278 HA PRO 107 HA PRO 107 -24.944 3.092 -1.075 279 HB2 PRO 107 HB2 PRO 107 -26.951 4.768 -0.378 280 HB3 PRO 107 HB3 PRO 107 -25.240 5.129 -0.019 281 HG2 PRO 107 HG2 PRO 107 -26.856 6.103 -2.407 282 HG3 PRO 107 HG3 PRO 107 -25.930 7.089 -1.221 283 HD2 PRO 107 HD2 PRO 107 -24.847 6.305 -3.592 284 HD3 PRO 107 HD3 PRO 107 -23.868 6.387 -2.099 285 H ASP 108 H ASP 108 -25.285 2.268 -3.768 286 HA ASP 108 HA ASP 108 -27.922 1.906 -4.582 287 HB2 ASP 108 HB2 ASP 108 -25.881 1.335 -5.880 288 HB3 ASP 108 HB3 ASP 108 -25.627 -0.061 -4.828 289 H LEU 109 H LEU 109 -26.278 0.562 -1.908 290 HA LEU 109 HA LEU 109 -28.639 -0.944 -1.009 291 HB2 LEU 109 HB2 LEU 109 -25.692 -1.636 -0.576 292 HB3 LEU 109 HB3 LEU 109 -26.974 -2.272 0.422 293 HG LEU 109 HG LEU 109 -26.377 -3.977 -1.043 294 HD11 LEU 109 HD11 LEU 109 -28.420 -4.535 -2.192 295 HD12 LEU 109 HD12 LEU 109 -28.817 -3.730 -0.664 296 HD13 LEU 109 HD13 LEU 109 -28.943 -2.839 -2.199 297 HD21 LEU 109 HD21 LEU 109 -26.893 -2.249 -3.478 298 HD22 LEU 109 HD22 LEU 109 -25.284 -2.616 -2.818 299 HD23 LEU 109 HD23 LEU 109 -26.318 -3.918 -3.433 300 HA PRO 110 HA PRO 110 -28.601 2.161 2.043 301 HB2 PRO 110 HB2 PRO 110 -29.831 1.018 4.229 302 HB3 PRO 110 HB3 PRO 110 -30.667 1.451 2.708 303 HG2 PRO 110 HG2 PRO 110 -29.576 -1.259 3.523 304 HG3 PRO 110 HG3 PRO 110 -31.195 -0.874 2.842 305 HD2 PRO 110 HD2 PRO 110 -29.175 -1.796 1.274 306 HD3 PRO 110 HD3 PRO 110 -30.300 -0.533 0.678 307 H ALA 111 H ALA 111 -27.546 3.052 3.750 308 HA ALA 111 HA ALA 111 -25.904 1.391 5.574 309 HB1 ALA 111 HB1 ALA 111 -24.451 2.155 3.692 310 HB2 ALA 111 HB2 ALA 111 -24.902 3.839 4.032 311 HB3 ALA 111 HB3 ALA 111 -23.965 2.909 5.222 312 H ILE 112 H ILE 112 -28.370 2.409 6.038 313 HA ILE 112 HA ILE 112 -27.976 4.411 8.191 314 HB ILE 112 HB ILE 112 -30.072 5.618 7.432 315 HG12 ILE 112 HG12 ILE 112 -29.530 4.362 4.708 316 HG13 ILE 112 HG13 ILE 112 -30.783 3.751 5.790 317 HG21 ILE 112 HG21 ILE 112 -28.902 7.087 5.917 318 HG22 ILE 112 HG22 ILE 112 -27.739 6.483 7.099 319 HG23 ILE 112 HG23 ILE 112 -27.768 5.801 5.456 320 HD11 ILE 112 HD11 ILE 112 -31.873 6.004 5.762 321 HD12 ILE 112 HD12 ILE 112 -30.670 6.538 4.561 322 HD13 ILE 112 HD13 ILE 112 -31.793 5.230 4.165 323 H LEU 113 H LEU 113 -27.945 2.204 8.967 324 HA LEU 113 HA LEU 113 -30.551 1.466 10.174 325 HB2 LEU 113 HB2 LEU 113 -30.268 0.224 8.034 326 HB3 LEU 113 HB3 LEU 113 -28.752 -0.439 8.607 327 HG LEU 113 HG LEU 113 -30.716 -1.976 8.618 328 HD11 LEU 113 HD11 LEU 113 -28.747 -2.396 10.093 329 HD12 LEU 113 HD12 LEU 113 -29.636 -1.643 11.433 330 HD13 LEU 113 HD13 LEU 113 -30.271 -3.102 10.663 331 HD21 LEU 113 HD21 LEU 113 -32.442 -0.351 9.359 332 HD22 LEU 113 HD22 LEU 113 -32.434 -1.852 10.302 333 HD23 LEU 113 HD23 LEU 113 -31.738 -0.381 10.998 334 H GLU 114 H GLU 114 -30.286 1.133 12.288 335 HA GLU 114 HA GLU 114 -27.726 0.196 13.490 336 HB2 GLU 114 HB2 GLU 114 -29.174 2.696 14.378 337 HB3 GLU 114 HB3 GLU 114 -27.814 1.889 15.168 338 HG2 GLU 114 HG2 GLU 114 -26.391 2.322 13.175 339 HG3 GLU 114 HG3 GLU 114 -27.725 3.206 12.423 Start of MODEL 18 1 H1 MET 71 H1 MET 71 -8.374 7.160 8.599 2 H2 MET 71 H2 MET 71 -7.126 6.321 9.247 3 H3 MET 71 H3 MET 71 -7.189 7.945 9.403 4 HA MET 71 HA MET 71 -5.549 7.342 7.746 5 HB2 MET 71 HB2 MET 71 -6.689 5.197 7.109 6 HB3 MET 71 HB3 MET 71 -7.899 6.116 6.217 7 HG2 MET 71 HG2 MET 71 -6.179 5.193 4.747 8 HG3 MET 71 HG3 MET 71 -6.162 6.947 4.684 9 HE1 MET 71 HE1 MET 71 -3.870 5.264 3.434 10 HE2 MET 71 HE2 MET 71 -3.840 7.042 3.494 11 HE3 MET 71 HE3 MET 71 -2.422 6.111 4.020 12 H SER 72 H SER 72 -5.041 8.899 6.146 13 HA SER 72 HA SER 72 -6.484 11.344 6.303 14 HB2 SER 72 HB2 SER 72 -4.824 12.112 4.616 15 HB3 SER 72 HB3 SER 72 -4.101 11.278 6.007 16 HG SER 72 HG SER 72 -3.221 10.533 4.000 17 H THR 73 H THR 73 -6.621 8.806 3.851 18 HA THR 73 HA THR 73 -8.898 10.179 2.476 19 HB THR 73 HB THR 73 -8.160 9.668 0.360 20 HG1 THR 73 HG1 THR 73 -5.627 8.899 1.400 21 HG21 THR 73 HG21 THR 73 -6.344 11.226 -0.007 22 HG22 THR 73 HG22 THR 73 -7.463 11.864 1.209 23 HG23 THR 73 HG23 THR 73 -5.901 11.182 1.708 24 H VAL 74 H VAL 74 -10.103 8.701 1.028 25 HA VAL 74 HA VAL 74 -9.891 5.811 1.625 26 HB VAL 74 HB VAL 74 -12.364 5.649 1.928 27 HG11 VAL 74 HG11 VAL 74 -10.813 5.571 3.860 28 HG12 VAL 74 HG12 VAL 74 -11.040 7.317 4.089 29 HG13 VAL 74 HG13 VAL 74 -12.410 6.216 4.270 30 HG21 VAL 74 HG21 VAL 74 -13.676 7.575 2.644 31 HG22 VAL 74 HG22 VAL 74 -12.301 8.660 2.372 32 HG23 VAL 74 HG23 VAL 74 -13.074 7.831 1.002 33 HA PRO 75 HA PRO 75 -10.834 5.237 -2.707 34 HB2 PRO 75 HB2 PRO 75 -12.910 3.274 -1.766 35 HB3 PRO 75 HB3 PRO 75 -11.700 3.118 -3.087 36 HG2 PRO 75 HG2 PRO 75 -11.261 1.947 -0.692 37 HG3 PRO 75 HG3 PRO 75 -9.926 2.825 -1.508 38 HD2 PRO 75 HD2 PRO 75 -11.711 3.778 0.741 39 HD3 PRO 75 HD3 PRO 75 -9.940 3.954 0.544 40 H LYS 76 H LYS 76 -12.277 5.739 -4.298 41 HA LYS 76 HA LYS 76 -15.009 6.821 -3.630 42 HB2 LYS 76 HB2 LYS 76 -12.982 8.037 -5.524 43 HB3 LYS 76 HB3 LYS 76 -14.700 8.461 -5.396 44 HG2 LYS 76 HG2 LYS 76 -14.355 9.135 -3.033 45 HG3 LYS 76 HG3 LYS 76 -12.622 8.793 -3.200 46 HD2 LYS 76 HD2 LYS 76 -12.552 10.407 -5.142 47 HD3 LYS 76 HD3 LYS 76 -14.231 10.833 -4.824 48 HE2 LYS 76 HE2 LYS 76 -11.926 11.163 -2.835 49 HE3 LYS 76 HE3 LYS 76 -12.493 12.434 -3.922 50 HZ1 LYS 76 HZ1 LYS 76 -13.516 12.667 -1.741 51 HZ2 LYS 76 HZ2 LYS 76 -14.680 12.325 -2.826 52 HZ3 LYS 76 HZ3 LYS 76 -14.157 11.170 -1.787 53 H TYR 77 H TYR 77 -12.990 5.102 -5.972 54 HA TYR 77 HA TYR 77 -15.464 4.208 -7.410 55 HB2 TYR 77 HB2 TYR 77 -12.826 4.936 -8.726 56 HB3 TYR 77 HB3 TYR 77 -14.312 4.465 -9.520 57 HD1 TYR 77 HD1 TYR 77 -12.637 7.148 -7.576 58 HD2 TYR 77 HD2 TYR 77 -15.944 6.146 -10.147 59 HE1 TYR 77 HE1 TYR 77 -13.143 9.572 -7.882 60 HE2 TYR 77 HE2 TYR 77 -16.366 8.555 -10.548 61 HH TYR 77 HH TYR 77 -15.754 10.732 -10.042 62 H ARG 78 H ARG 78 -15.387 2.118 -8.295 63 HA ARG 78 HA ARG 78 -12.898 0.557 -8.121 64 HB2 ARG 78 HB2 ARG 78 -14.079 0.227 -5.923 65 HB3 ARG 78 HB3 ARG 78 -15.438 -0.491 -6.797 66 HG2 ARG 78 HG2 ARG 78 -13.980 -2.287 -7.656 67 HG3 ARG 78 HG3 ARG 78 -12.556 -1.470 -7.001 68 HD2 ARG 78 HD2 ARG 78 -13.642 -1.740 -4.679 69 HD3 ARG 78 HD3 ARG 78 -14.765 -2.863 -5.472 70 HE ARG 78 HE ARG 78 -11.965 -3.442 -6.069 71 HH11 ARG 78 HH21 ARG 78 -14.347 -3.993 -3.548 72 HH12 ARG 78 HH22 ARG 78 -13.485 -5.366 -2.916 73 HH21 ARG 78 HH11 ARG 78 -10.927 -5.171 -5.221 74 HH22 ARG 78 HH12 ARG 78 -11.593 -6.023 -3.855 75 H ASP 79 H ASP 79 -12.602 -0.323 -9.996 76 HA ASP 79 HA ASP 79 -14.501 -0.479 -12.119 77 HB2 ASP 79 HB2 ASP 79 -12.152 -0.242 -12.552 78 HB3 ASP 79 HB3 ASP 79 -11.777 -1.719 -11.674 79 HA PRO 80 HA PRO 80 -16.242 -4.422 -10.625 80 HB2 PRO 80 HB2 PRO 80 -18.213 -4.819 -12.494 81 HB3 PRO 80 HB3 PRO 80 -18.320 -3.611 -11.181 82 HG2 PRO 80 HG2 PRO 80 -17.430 -3.170 -14.050 83 HG3 PRO 80 HG3 PRO 80 -18.645 -2.236 -13.109 84 HD2 PRO 80 HD2 PRO 80 -16.078 -1.380 -13.340 85 HD3 PRO 80 HD3 PRO 80 -16.964 -1.213 -11.794 86 H ALA 81 H ALA 81 -14.828 -3.965 -13.836 87 HA ALA 81 HA ALA 81 -15.050 -6.727 -14.677 88 HB1 ALA 81 HB1 ALA 81 -14.976 -4.822 -16.239 89 HB2 ALA 81 HB2 ALA 81 -13.321 -4.446 -15.712 90 HB3 ALA 81 HB3 ALA 81 -13.665 -5.975 -16.547 91 H THR 82 H THR 82 -12.512 -4.868 -13.029 92 HA THR 82 HA THR 82 -10.795 -7.332 -12.807 93 HB THR 82 HB THR 82 -8.897 -6.010 -12.897 94 HG1 THR 82 HG1 THR 82 -10.662 -3.820 -13.373 95 HG21 THR 82 HG21 THR 82 -9.973 -6.893 -14.946 96 HG22 THR 82 HG22 THR 82 -10.670 -5.284 -15.250 97 HG23 THR 82 HG23 THR 82 -8.900 -5.494 -15.226 98 H GLY 83 H GLY 83 -12.374 -4.852 -10.922 99 HA2 GLY 83 HA2 GLY 83 -12.582 -4.815 -8.607 100 HA3 GLY 83 HA3 GLY 83 -11.222 -5.926 -8.438 101 H LYS 84 H LYS 84 -10.105 -3.528 -10.455 102 HA LYS 84 HA LYS 84 -8.313 -2.300 -8.592 103 HB2 LYS 84 HB2 LYS 84 -9.230 -1.536 -11.397 104 HB3 LYS 84 HB3 LYS 84 -7.974 -0.659 -10.509 105 HG2 LYS 84 HG2 LYS 84 -6.651 -2.711 -10.262 106 HG3 LYS 84 HG3 LYS 84 -7.882 -3.644 -11.122 107 HD2 LYS 84 HD2 LYS 84 -7.550 -2.219 -13.146 108 HD3 LYS 84 HD3 LYS 84 -6.273 -1.324 -12.290 109 HE2 LYS 84 HE2 LYS 84 -4.998 -3.446 -12.006 110 HE3 LYS 84 HE3 LYS 84 -6.268 -4.325 -12.862 111 HZ1 LYS 84 HZ1 LYS 84 -4.606 -2.157 -14.054 112 HZ2 LYS 84 HZ2 LYS 84 -4.426 -3.747 -14.348 113 HZ3 LYS 84 HZ3 LYS 84 -5.778 -2.982 -14.848 114 H THR 85 H THR 85 -8.223 -0.246 -7.696 115 HA THR 85 HA THR 85 -10.826 1.210 -7.386 116 HB THR 85 HB THR 85 -9.978 1.757 -5.066 117 HG1 THR 85 HG1 THR 85 -8.373 0.376 -4.239 118 HG21 THR 85 HG21 THR 85 -11.693 0.058 -5.357 119 HG22 THR 85 HG22 THR 85 -10.454 -1.191 -5.665 120 HG23 THR 85 HG23 THR 85 -10.576 -0.416 -4.071 121 H TRP 86 H TRP 86 -10.768 3.425 -6.788 122 HA TRP 86 HA TRP 86 -8.217 4.867 -6.875 123 HB2 TRP 86 HB2 TRP 86 -8.958 4.761 -9.249 124 HB3 TRP 86 HB3 TRP 86 -10.440 5.599 -8.818 125 HD1 TRP 86 HD1 TRP 86 -6.638 6.252 -8.268 126 HE1 TRP 86 HE1 TRP 86 -6.156 8.753 -8.600 127 HE3 TRP 86 HE3 TRP 86 -11.331 7.828 -9.567 128 HZ2 TRP 86 HZ2 TRP 86 -7.608 11.126 -9.343 129 HZ3 TRP 86 HZ3 TRP 86 -11.777 10.236 -9.960 130 HH2 TRP 86 HH2 TRP 86 -9.960 11.886 -9.802 131 H SER 87 H SER 87 -8.409 7.086 -6.079 132 HA SER 87 HA SER 87 -10.752 7.487 -4.249 133 HB2 SER 87 HB2 SER 87 -9.045 7.959 -2.484 134 HB3 SER 87 HB3 SER 87 -8.904 6.318 -3.134 135 HG SER 87 HG SER 87 -6.848 7.361 -3.002 136 H GLY 88 H GLY 88 -9.426 9.136 -6.733 137 HA2 GLY 88 HA2 GLY 88 -10.144 11.334 -7.198 138 HA3 GLY 88 HA3 GLY 88 -10.265 11.697 -5.495 139 H ARG 89 H ARG 89 -7.221 10.284 -6.187 140 HA ARG 89 HA ARG 89 -5.864 12.916 -6.624 141 HB2 ARG 89 HB2 ARG 89 -5.207 10.894 -4.429 142 HB3 ARG 89 HB3 ARG 89 -4.192 12.270 -4.876 143 HG2 ARG 89 HG2 ARG 89 -6.101 13.808 -4.319 144 HG3 ARG 89 HG3 ARG 89 -6.997 12.398 -3.706 145 HD2 ARG 89 HD2 ARG 89 -5.186 11.953 -2.082 146 HD3 ARG 89 HD3 ARG 89 -4.290 13.354 -2.705 147 HE ARG 89 HE ARG 89 -6.946 14.133 -1.910 148 HH11 ARG 89 HH11 ARG 89 -3.843 13.368 -0.458 149 HH12 ARG 89 HH12 ARG 89 -4.144 14.367 0.936 150 HH21 ARG 89 HH21 ARG 89 -7.272 15.378 -0.094 151 HH22 ARG 89 HH22 ARG 89 -6.053 15.457 1.139 152 H GLY 90 H GLY 90 -3.636 12.754 -7.275 153 HA2 GLY 90 HA2 GLY 90 -1.962 11.939 -8.685 154 HA3 GLY 90 HA3 GLY 90 -2.583 10.304 -8.476 155 H ARG 91 H ARG 91 -1.931 10.376 -10.850 156 HA ARG 91 HA ARG 91 -3.548 11.712 -12.846 157 HB2 ARG 91 HB2 ARG 91 -1.956 9.150 -13.088 158 HB3 ARG 91 HB3 ARG 91 -2.654 10.132 -14.396 159 HG2 ARG 91 HG2 ARG 91 -1.227 12.048 -13.731 160 HG3 ARG 91 HG3 ARG 91 -0.481 11.056 -12.471 161 HD2 ARG 91 HD2 ARG 91 0.310 9.456 -14.187 162 HD3 ARG 91 HD3 ARG 91 -0.413 10.440 -15.459 163 HE ARG 91 HE ARG 91 2.037 10.987 -13.905 164 HH11 ARG 91 HH11 ARG 91 -0.246 12.404 -16.173 165 HH12 ARG 91 HH12 ARG 91 0.863 13.666 -16.624 166 HH21 ARG 91 HH21 ARG 91 3.393 12.622 -14.539 167 HH22 ARG 91 HH22 ARG 91 2.868 13.777 -15.727 168 H GLN 92 H GLN 92 -5.323 11.068 -13.987 169 HA GLN 92 HA GLN 92 -7.309 9.492 -12.700 170 HB2 GLN 92 HB2 GLN 92 -7.647 11.378 -14.371 171 HB3 GLN 92 HB3 GLN 92 -7.156 10.253 -15.643 172 HG2 GLN 92 HG2 GLN 92 -9.113 8.756 -14.504 173 HG3 GLN 92 HG3 GLN 92 -9.673 10.344 -13.998 174 HE21 GLN 92 HE22 GLN 92 -9.376 8.085 -16.645 175 HE22 GLN 92 HE21 GLN 92 -10.126 9.124 -17.862 176 HA PRO 93 HA PRO 93 -6.137 5.348 -14.283 177 HB2 PRO 93 HB2 PRO 93 -8.973 4.634 -13.668 178 HB3 PRO 93 HB3 PRO 93 -7.452 3.853 -13.141 179 HG2 PRO 93 HG2 PRO 93 -8.992 5.386 -11.470 180 HG3 PRO 93 HG3 PRO 93 -7.205 5.309 -11.338 181 HD2 PRO 93 HD2 PRO 93 -8.915 7.461 -12.557 182 HD3 PRO 93 HD3 PRO 93 -7.399 7.602 -11.608 183 H ALA 94 H ALA 94 -6.533 4.213 -16.242 184 HA ALA 94 HA ALA 94 -7.812 5.621 -18.363 185 HB1 ALA 94 HB1 ALA 94 -7.303 3.600 -19.682 186 HB2 ALA 94 HB2 ALA 94 -5.925 4.078 -18.671 187 HB3 ALA 94 HB3 ALA 94 -6.949 2.697 -18.191 188 H TRP 95 H TRP 95 -8.951 2.773 -16.476 189 HA TRP 95 HA TRP 95 -11.412 2.363 -17.851 190 HB2 TRP 95 HB2 TRP 95 -12.117 1.198 -15.764 191 HB3 TRP 95 HB3 TRP 95 -10.594 0.649 -16.441 192 HD1 TRP 95 HD1 TRP 95 -8.419 0.953 -15.016 193 HE1 TRP 95 HE1 TRP 95 -8.006 1.381 -12.524 194 HE3 TRP 95 HE3 TRP 95 -13.155 2.447 -13.631 195 HZ2 TRP 95 HZ2 TRP 95 -9.512 2.206 -10.235 196 HZ3 TRP 95 HZ3 TRP 95 -13.626 2.970 -11.268 197 HH2 TRP 95 HH2 TRP 95 -11.825 2.855 -9.564 198 H LEU 96 H LEU 96 -10.572 4.845 -15.516 199 HA LEU 96 HA LEU 96 -13.212 5.503 -14.680 200 HB2 LEU 96 HB2 LEU 96 -10.749 6.297 -13.874 201 HB3 LEU 96 HB3 LEU 96 -11.140 7.646 -14.929 202 HG LEU 96 HG LEU 96 -13.463 7.597 -13.563 203 HD11 LEU 96 HD11 LEU 96 -11.455 6.396 -11.601 204 HD12 LEU 96 HD12 LEU 96 -13.103 6.945 -11.236 205 HD13 LEU 96 HD13 LEU 96 -12.850 5.544 -12.294 206 HD21 LEU 96 HD21 LEU 96 -11.942 9.511 -13.603 207 HD22 LEU 96 HD22 LEU 96 -12.546 9.203 -11.974 208 HD23 LEU 96 HD23 LEU 96 -10.890 8.721 -12.400 209 H GLY 97 H GLY 97 -11.668 6.036 -17.733 210 HA2 GLY 97 HA2 GLY 97 -12.830 8.527 -18.526 211 HA3 GLY 97 HA3 GLY 97 -12.135 7.270 -19.571 212 H ASN 98 H ASN 98 -13.934 5.209 -18.888 213 HA ASN 98 HA ASN 98 -15.679 5.497 -21.059 214 HB2 ASN 98 HB2 ASN 98 -15.691 3.499 -18.748 215 HB3 ASN 98 HB3 ASN 98 -16.716 3.351 -20.173 216 HD21 ASN 98 HD22 ASN 98 -15.802 2.609 -22.137 217 HD22 ASN 98 HD21 ASN 98 -14.122 2.102 -22.231 218 H ASP 99 H ASP 99 -16.768 5.367 -17.620 219 HA ASP 99 HA ASP 99 -18.802 7.395 -18.004 220 HB2 ASP 99 HB2 ASP 99 -19.982 5.564 -19.108 221 HB3 ASP 99 HB3 ASP 99 -19.724 4.519 -17.718 222 HA PRO 100 HA PRO 100 -16.832 7.193 -13.818 223 HB2 PRO 100 HB2 PRO 100 -18.394 9.747 -13.710 224 HB3 PRO 100 HB3 PRO 100 -16.794 9.337 -12.999 225 HG2 PRO 100 HG2 PRO 100 -16.939 10.668 -15.366 226 HG3 PRO 100 HG3 PRO 100 -15.746 9.354 -15.129 227 HD2 PRO 100 HD2 PRO 100 -18.358 9.280 -16.625 228 HD3 PRO 100 HD3 PRO 100 -16.805 8.464 -16.994 229 H ALA 101 H ALA 101 -20.332 7.788 -14.341 230 HA ALA 101 HA ALA 101 -21.138 7.292 -11.656 231 HB1 ALA 101 HB1 ALA 101 -22.477 8.551 -13.300 232 HB2 ALA 101 HB2 ALA 101 -22.696 7.068 -14.264 233 HB3 ALA 101 HB3 ALA 101 -23.395 7.185 -12.640 234 H ALA 102 H ALA 102 -20.325 5.016 -14.235 235 HA ALA 102 HA ALA 102 -22.018 2.855 -13.412 236 HB1 ALA 102 HB1 ALA 102 -21.089 3.145 -15.684 237 HB2 ALA 102 HB2 ALA 102 -19.447 2.845 -15.057 238 HB3 ALA 102 HB3 ALA 102 -20.678 1.561 -15.010 239 H PHE 103 H PHE 103 -18.856 3.857 -12.269 240 HA PHE 103 HA PHE 103 -18.647 1.438 -10.523 241 HB2 PHE 103 HB2 PHE 103 -16.114 1.681 -11.032 242 HB3 PHE 103 HB3 PHE 103 -17.186 0.946 -12.210 243 HD1 PHE 103 HD1 PHE 103 -15.802 4.317 -11.332 244 HD2 PHE 103 HD2 PHE 103 -17.016 1.594 -14.444 245 HE1 PHE 103 HE1 PHE 103 -15.167 5.987 -13.039 246 HE2 PHE 103 HE2 PHE 103 -16.356 3.255 -16.156 247 HZ PHE 103 HZ PHE 103 -15.465 5.467 -15.462 248 H LEU 104 H LEU 104 -19.399 4.482 -10.066 249 HA LEU 104 HA LEU 104 -17.562 5.326 -7.968 250 HB2 LEU 104 HB2 LEU 104 -20.284 6.091 -8.939 251 HB3 LEU 104 HB3 LEU 104 -19.949 6.410 -7.243 252 HG LEU 104 HG LEU 104 -18.157 7.377 -9.477 253 HD11 LEU 104 HD11 LEU 104 -19.210 9.580 -9.147 254 HD12 LEU 104 HD12 LEU 104 -20.403 8.385 -9.675 255 HD13 LEU 104 HD13 LEU 104 -20.339 8.880 -7.968 256 HD21 LEU 104 HD21 LEU 104 -18.346 8.089 -6.506 257 HD22 LEU 104 HD22 LEU 104 -16.964 7.362 -7.352 258 HD23 LEU 104 HD23 LEU 104 -17.411 9.021 -7.695 259 H ILE 105 H ILE 105 -17.465 4.662 -5.864 260 HA ILE 105 HA ILE 105 -18.884 2.267 -4.985 261 HB ILE 105 HB ILE 105 -17.082 4.147 -3.422 262 HG12 ILE 105 HG12 ILE 105 -16.449 1.402 -4.607 263 HG13 ILE 105 HG13 ILE 105 -16.051 2.913 -5.422 264 HG21 ILE 105 HG21 ILE 105 -18.246 1.381 -2.844 265 HG22 ILE 105 HG22 ILE 105 -16.999 2.170 -1.844 266 HG23 ILE 105 HG23 ILE 105 -18.607 2.874 -1.948 267 HD11 ILE 105 HD11 ILE 105 -14.781 3.630 -3.373 268 HD12 ILE 105 HD12 ILE 105 -14.953 1.968 -2.763 269 HD13 ILE 105 HD13 ILE 105 -14.078 2.262 -4.272 270 H GLN 106 H GLN 106 -20.931 2.254 -4.377 271 HA GLN 106 HA GLN 106 -22.429 4.679 -4.088 272 HB2 GLN 106 HB2 GLN 106 -23.228 1.779 -3.601 273 HB3 GLN 106 HB3 GLN 106 -24.353 3.127 -3.727 274 HG2 GLN 106 HG2 GLN 106 -22.520 2.134 -5.959 275 HG3 GLN 106 HG3 GLN 106 -24.247 1.861 -5.827 276 HE21 GLN 106 HE22 GLN 106 -21.890 3.926 -7.183 277 HE22 GLN 106 HE21 GLN 106 -23.000 5.226 -7.626 278 HA PRO 107 HA PRO 107 -22.356 5.189 0.328 279 HB2 PRO 107 HB2 PRO 107 -24.442 6.881 0.763 280 HB3 PRO 107 HB3 PRO 107 -23.041 7.346 -0.244 281 HG2 PRO 107 HG2 PRO 107 -25.705 6.236 -1.188 282 HG3 PRO 107 HG3 PRO 107 -24.876 7.726 -1.750 283 HD2 PRO 107 HD2 PRO 107 -24.631 5.351 -3.071 284 HD3 PRO 107 HD3 PRO 107 -23.261 6.489 -2.933 285 H ASP 108 H ASP 108 -24.636 3.153 -1.004 286 HA ASP 108 HA ASP 108 -26.385 1.884 -0.357 287 HB2 ASP 108 HB2 ASP 108 -24.437 0.861 0.822 288 HB3 ASP 108 HB3 ASP 108 -24.913 1.708 2.290 289 H LEU 109 H LEU 109 -26.902 4.622 -0.145 290 HA LEU 109 HA LEU 109 -29.189 4.708 1.737 291 HB2 LEU 109 HB2 LEU 109 -26.934 6.742 1.468 292 HB3 LEU 109 HB3 LEU 109 -28.488 7.179 2.144 293 HG LEU 109 HG LEU 109 -26.675 5.028 3.328 294 HD11 LEU 109 HD11 LEU 109 -27.164 7.907 4.193 295 HD12 LEU 109 HD12 LEU 109 -26.190 6.700 5.063 296 HD13 LEU 109 HD13 LEU 109 -25.671 7.268 3.469 297 HD21 LEU 109 HD21 LEU 109 -28.133 5.277 5.316 298 HD22 LEU 109 HD22 LEU 109 -29.185 6.391 4.414 299 HD23 LEU 109 HD23 LEU 109 -29.047 4.685 3.932 300 HA PRO 110 HA PRO 110 -31.202 6.499 -1.821 301 HB2 PRO 110 HB2 PRO 110 -33.155 8.079 -0.709 302 HB3 PRO 110 HB3 PRO 110 -33.194 6.295 -0.662 303 HG2 PRO 110 HG2 PRO 110 -32.213 8.190 1.496 304 HG3 PRO 110 HG3 PRO 110 -33.343 6.811 1.662 305 HD2 PRO 110 HD2 PRO 110 -30.698 6.580 2.242 306 HD3 PRO 110 HD3 PRO 110 -31.591 5.238 1.476 307 H ALA 111 H ALA 111 -31.470 8.369 -3.036 308 HA ALA 111 HA ALA 111 -30.350 10.955 -2.109 309 HB1 ALA 111 HB1 ALA 111 -29.359 9.407 -4.552 310 HB2 ALA 111 HB2 ALA 111 -28.876 11.062 -4.107 311 HB3 ALA 111 HB3 ALA 111 -28.443 9.693 -3.057 312 H ILE 112 H ILE 112 -30.828 12.709 -3.568 313 HA ILE 112 HA ILE 112 -32.648 13.966 -4.073 314 HB ILE 112 HB ILE 112 -31.088 13.926 -5.889 315 HG12 ILE 112 HG12 ILE 112 -32.377 14.881 -7.686 316 HG13 ILE 112 HG13 ILE 112 -33.869 14.171 -7.095 317 HG21 ILE 112 HG21 ILE 112 -31.401 12.674 -7.963 318 HG22 ILE 112 HG22 ILE 112 -31.151 11.591 -6.589 319 HG23 ILE 112 HG23 ILE 112 -32.782 11.811 -7.258 320 HD11 ILE 112 HD11 ILE 112 -32.205 16.231 -5.581 321 HD12 ILE 112 HD12 ILE 112 -33.634 16.593 -6.573 322 HD13 ILE 112 HD13 ILE 112 -33.812 15.619 -5.106 323 H LEU 113 H LEU 113 -33.865 12.599 -2.619 324 HA LEU 113 HA LEU 113 -35.942 10.878 -3.652 325 HB2 LEU 113 HB2 LEU 113 -34.796 10.686 -1.425 326 HB3 LEU 113 HB3 LEU 113 -35.608 12.158 -0.908 327 HG LEU 113 HG LEU 113 -37.803 11.024 -1.060 328 HD11 LEU 113 HD11 LEU 113 -37.393 9.380 -2.846 329 HD12 LEU 113 HD12 LEU 113 -36.178 8.556 -1.843 330 HD13 LEU 113 HD13 LEU 113 -37.890 8.554 -1.370 331 HD21 LEU 113 HD21 LEU 113 -37.483 9.471 0.807 332 HD22 LEU 113 HD22 LEU 113 -35.735 9.419 0.497 333 HD23 LEU 113 HD23 LEU 113 -36.505 10.927 1.037 334 H GLU 114 H GLU 114 -35.771 14.291 -3.219 335 HA GLU 114 HA GLU 114 -38.447 15.088 -2.713 336 HB2 GLU 114 HB2 GLU 114 -36.339 16.555 -4.304 337 HB3 GLU 114 HB3 GLU 114 -37.846 17.204 -3.639 338 HG2 GLU 114 HG2 GLU 114 -37.059 16.631 -1.332 339 HG3 GLU 114 HG3 GLU 114 -35.520 16.098 -2.010 Start of MODEL 19 1 H1 MET 71 H1 MET 71 -3.314 3.431 3.898 2 H2 MET 71 H2 MET 71 -4.696 2.964 3.162 3 H3 MET 71 H3 MET 71 -3.252 2.718 2.430 4 HA MET 71 HA MET 71 -2.865 5.077 2.206 5 HB2 MET 71 HB2 MET 71 -4.153 3.697 0.454 6 HB3 MET 71 HB3 MET 71 -5.624 4.463 1.043 7 HG2 MET 71 HG2 MET 71 -3.191 6.005 0.039 8 HG3 MET 71 HG3 MET 71 -4.464 5.433 -1.019 9 HE1 MET 71 HE1 MET 71 -4.893 9.355 -0.932 10 HE2 MET 71 HE2 MET 71 -3.366 8.478 -0.739 11 HE3 MET 71 HE3 MET 71 -4.544 7.945 -1.958 12 H SER 72 H SER 72 -3.412 7.228 2.706 13 HA SER 72 HA SER 72 -4.448 7.656 5.254 14 HB2 SER 72 HB2 SER 72 -4.083 9.710 3.048 15 HB3 SER 72 HB3 SER 72 -4.094 10.014 4.800 16 HG SER 72 HG SER 72 -1.946 9.845 3.998 17 H THR 73 H THR 73 -6.392 7.559 2.354 18 HA THR 73 HA THR 73 -8.756 8.323 3.951 19 HB THR 73 HB THR 73 -8.135 10.327 2.991 20 HG1 THR 73 HG1 THR 73 -10.143 10.830 2.188 21 HG21 THR 73 HG21 THR 73 -8.368 10.788 0.552 22 HG22 THR 73 HG22 THR 73 -7.044 9.665 0.862 23 HG23 THR 73 HG23 THR 73 -8.598 9.055 0.250 24 H VAL 74 H VAL 74 -10.809 7.829 2.712 25 HA VAL 74 HA VAL 74 -10.811 5.029 1.945 26 HB VAL 74 HB VAL 74 -13.262 5.386 1.614 27 HG11 VAL 74 HG11 VAL 74 -13.789 5.731 3.965 28 HG12 VAL 74 HG12 VAL 74 -12.335 4.737 3.802 29 HG13 VAL 74 HG13 VAL 74 -12.193 6.452 4.256 30 HG21 VAL 74 HG21 VAL 74 -14.332 7.461 2.305 31 HG22 VAL 74 HG22 VAL 74 -12.760 8.253 2.526 32 HG23 VAL 74 HG23 VAL 74 -13.292 7.756 0.907 33 HA PRO 75 HA PRO 75 -10.840 5.511 -2.546 34 HB2 PRO 75 HB2 PRO 75 -12.255 3.345 -3.375 35 HB3 PRO 75 HB3 PRO 75 -10.611 3.220 -2.684 36 HG2 PRO 75 HG2 PRO 75 -13.257 2.845 -1.250 37 HG3 PRO 75 HG3 PRO 75 -11.829 1.761 -1.240 38 HD2 PRO 75 HD2 PRO 75 -12.278 3.560 0.750 39 HD3 PRO 75 HD3 PRO 75 -10.622 3.218 0.179 40 H LYS 76 H LYS 76 -12.236 5.868 -4.293 41 HA LYS 76 HA LYS 76 -15.024 6.842 -3.664 42 HB2 LYS 76 HB2 LYS 76 -12.979 8.085 -5.506 43 HB3 LYS 76 HB3 LYS 76 -14.703 8.483 -5.435 44 HG2 LYS 76 HG2 LYS 76 -14.426 9.174 -3.053 45 HG3 LYS 76 HG3 LYS 76 -12.677 8.882 -3.211 46 HD2 LYS 76 HD2 LYS 76 -12.689 10.462 -5.204 47 HD3 LYS 76 HD3 LYS 76 -14.361 10.865 -4.834 48 HE2 LYS 76 HE2 LYS 76 -11.989 11.279 -2.944 49 HE3 LYS 76 HE3 LYS 76 -12.638 12.508 -4.025 50 HZ1 LYS 76 HZ1 LYS 76 -14.781 12.356 -2.833 51 HZ2 LYS 76 HZ2 LYS 76 -14.174 11.236 -1.802 52 HZ3 LYS 76 HZ3 LYS 76 -13.582 12.756 -1.807 53 H TYR 77 H TYR 77 -12.990 5.041 -5.910 54 HA TYR 77 HA TYR 77 -15.427 4.299 -7.484 55 HB2 TYR 77 HB2 TYR 77 -12.711 4.881 -8.698 56 HB3 TYR 77 HB3 TYR 77 -14.233 4.612 -9.534 57 HD1 TYR 77 HD2 TYR 77 -12.214 6.987 -7.554 58 HD2 TYR 77 HD1 TYR 77 -15.800 6.475 -9.885 59 HE1 TYR 77 HE2 TYR 77 -12.499 9.461 -7.655 60 HE2 TYR 77 HE1 TYR 77 -16.051 8.958 -10.008 61 HH TYR 77 HH TYR 77 -15.207 11.015 -9.399 62 H ARG 78 H ARG 78 -15.465 2.193 -8.271 63 HA ARG 78 HA ARG 78 -13.043 0.500 -8.082 64 HB2 ARG 78 HB2 ARG 78 -14.240 0.200 -5.928 65 HB3 ARG 78 HB3 ARG 78 -15.690 -0.313 -6.797 66 HG2 ARG 78 HG2 ARG 78 -14.527 -2.273 -7.706 67 HG3 ARG 78 HG3 ARG 78 -12.976 -1.690 -7.085 68 HD2 ARG 78 HD2 ARG 78 -13.866 -1.882 -4.754 69 HD3 ARG 78 HD3 ARG 78 -15.355 -2.576 -5.395 70 HE ARG 78 HE ARG 78 -12.625 -3.779 -5.355 71 HH11 ARG 78 HH11 ARG 78 -15.980 -4.318 -6.265 72 HH12 ARG 78 HH12 ARG 78 -15.752 -6.034 -6.396 73 HH21 ARG 78 HH21 ARG 78 -12.428 -5.976 -5.505 74 HH22 ARG 78 HH22 ARG 78 -13.789 -6.945 -5.982 75 H ASP 79 H ASP 79 -12.754 -0.332 -9.997 76 HA ASP 79 HA ASP 79 -14.659 -0.444 -12.128 77 HB2 ASP 79 HB2 ASP 79 -12.303 -0.263 -12.562 78 HB3 ASP 79 HB3 ASP 79 -11.954 -1.732 -11.666 79 HA PRO 80 HA PRO 80 -16.456 -4.363 -10.583 80 HB2 PRO 80 HB2 PRO 80 -18.453 -4.737 -12.418 81 HB3 PRO 80 HB3 PRO 80 -18.536 -3.532 -11.099 82 HG2 PRO 80 HG2 PRO 80 -17.686 -3.081 -13.977 83 HG3 PRO 80 HG3 PRO 80 -18.875 -2.144 -13.020 84 HD2 PRO 80 HD2 PRO 80 -16.310 -1.302 -13.279 85 HD3 PRO 80 HD3 PRO 80 -17.177 -1.149 -11.712 86 H ALA 81 H ALA 81 -15.061 -3.898 -13.787 87 HA ALA 81 HA ALA 81 -15.333 -6.643 -14.658 88 HB1 ALA 81 HB1 ALA 81 -13.560 -4.375 -15.660 89 HB2 ALA 81 HB2 ALA 81 -13.919 -5.886 -16.520 90 HB3 ALA 81 HB3 ALA 81 -15.218 -4.717 -16.195 91 H THR 82 H THR 82 -12.737 -4.851 -13.007 92 HA THR 82 HA THR 82 -11.101 -7.373 -12.774 93 HB THR 82 HB THR 82 -9.159 -6.114 -12.883 94 HG1 THR 82 HG1 THR 82 -10.850 -3.876 -13.388 95 HG21 THR 82 HG21 THR 82 -10.909 -5.357 -15.239 96 HG22 THR 82 HG22 THR 82 -9.153 -5.636 -15.221 97 HG23 THR 82 HG23 THR 82 -10.268 -6.990 -14.917 98 H GLY 83 H GLY 83 -12.576 -4.806 -10.906 99 HA2 GLY 83 HA2 GLY 83 -12.755 -4.717 -8.599 100 HA3 GLY 83 HA3 GLY 83 -11.448 -5.886 -8.414 101 H LYS 84 H LYS 84 -10.299 -3.534 -10.508 102 HA LYS 84 HA LYS 84 -8.439 -2.301 -8.707 103 HB2 LYS 84 HB2 LYS 84 -9.423 -1.562 -11.494 104 HB3 LYS 84 HB3 LYS 84 -8.148 -0.671 -10.642 105 HG2 LYS 84 HG2 LYS 84 -6.809 -2.707 -10.407 106 HG3 LYS 84 HG3 LYS 84 -8.054 -3.665 -11.218 107 HD2 LYS 84 HD2 LYS 84 -7.787 -2.264 -13.272 108 HD3 LYS 84 HD3 LYS 84 -6.479 -1.368 -12.465 109 HE2 LYS 84 HE2 LYS 84 -5.211 -3.504 -12.190 110 HE3 LYS 84 HE3 LYS 84 -6.518 -4.381 -12.987 111 HZ1 LYS 84 HZ1 LYS 84 -4.734 -3.856 -14.552 112 HZ2 LYS 84 HZ2 LYS 84 -6.086 -3.071 -15.009 113 HZ3 LYS 84 HZ3 LYS 84 -4.868 -2.256 -14.275 114 H THR 85 H THR 85 -8.317 -0.231 -7.838 115 HA THR 85 HA THR 85 -10.888 1.275 -7.565 116 HB THR 85 HB THR 85 -10.196 1.715 -5.183 117 HG1 THR 85 HG1 THR 85 -8.696 0.254 -4.286 118 HG21 THR 85 HG21 THR 85 -10.969 -0.417 -4.287 119 HG22 THR 85 HG22 THR 85 -11.918 0.053 -5.701 120 HG23 THR 85 HG23 THR 85 -10.681 -1.214 -5.850 121 H TRP 86 H TRP 86 -10.779 3.451 -6.866 122 HA TRP 86 HA TRP 86 -8.194 4.840 -6.825 123 HB2 TRP 86 HB2 TRP 86 -8.791 4.783 -9.231 124 HB3 TRP 86 HB3 TRP 86 -10.313 5.579 -8.879 125 HD1 TRP 86 HD1 TRP 86 -6.579 6.359 -8.052 126 HE1 TRP 86 HE1 TRP 86 -6.145 8.867 -8.436 127 HE3 TRP 86 HE3 TRP 86 -11.179 7.727 -9.840 128 HZ2 TRP 86 HZ2 TRP 86 -7.651 11.183 -9.229 129 HZ3 TRP 86 HZ3 TRP 86 -11.690 10.118 -10.263 130 HH2 TRP 86 HH2 TRP 86 -9.979 11.851 -9.888 131 H SER 87 H SER 87 -8.455 7.141 -6.093 132 HA SER 87 HA SER 87 -10.831 7.464 -4.286 133 HB2 SER 87 HB2 SER 87 -9.189 7.980 -2.497 134 HB3 SER 87 HB3 SER 87 -8.917 6.365 -3.182 135 HG SER 87 HG SER 87 -6.937 7.492 -3.031 136 H GLY 88 H GLY 88 -9.694 9.113 -6.808 137 HA2 GLY 88 HA2 GLY 88 -10.166 11.347 -7.350 138 HA3 GLY 88 HA3 GLY 88 -10.629 11.660 -5.689 139 H ARG 89 H ARG 89 -7.466 10.296 -6.393 140 HA ARG 89 HA ARG 89 -6.077 12.917 -5.903 141 HB2 ARG 89 HB2 ARG 89 -5.419 10.177 -4.725 142 HB3 ARG 89 HB3 ARG 89 -4.409 11.604 -4.557 143 HG2 ARG 89 HG2 ARG 89 -7.240 11.355 -3.424 144 HG3 ARG 89 HG3 ARG 89 -5.755 11.001 -2.554 145 HD2 ARG 89 HD2 ARG 89 -6.340 13.155 -1.853 146 HD3 ARG 89 HD3 ARG 89 -4.994 13.381 -2.983 147 HE ARG 89 HE ARG 89 -7.572 13.555 -4.315 148 HH11 ARG 89 HH11 ARG 89 -5.507 15.536 -2.284 149 HH12 ARG 89 HH12 ARG 89 -6.138 17.017 -2.953 150 HH21 ARG 89 HH21 ARG 89 -8.287 15.413 -5.139 151 HH22 ARG 89 HH22 ARG 89 -7.722 16.946 -4.526 152 H GLY 90 H GLY 90 -4.275 13.305 -7.088 153 HA2 GLY 90 HA2 GLY 90 -2.816 13.131 -8.896 154 HA3 GLY 90 HA3 GLY 90 -2.970 11.373 -8.829 155 H ARG 91 H ARG 91 -2.913 11.656 -11.231 156 HA ARG 91 HA ARG 91 -5.309 12.597 -12.649 157 HB2 ARG 91 HB2 ARG 91 -3.085 10.772 -13.558 158 HB3 ARG 91 HB3 ARG 91 -4.380 11.439 -14.559 159 HG2 ARG 91 HG2 ARG 91 -2.374 13.159 -13.061 160 HG3 ARG 91 HG3 ARG 91 -2.180 12.642 -14.740 161 HD2 ARG 91 HD2 ARG 91 -4.329 13.809 -15.307 162 HD3 ARG 91 HD3 ARG 91 -4.435 14.372 -13.639 163 HE ARG 91 HE ARG 91 -2.732 15.905 -13.986 164 HH11 ARG 91 HH11 ARG 91 -2.953 13.950 -16.896 165 HH12 ARG 91 HH12 ARG 91 -1.958 15.048 -17.811 166 HH21 ARG 91 HH21 ARG 91 -1.452 17.235 -15.207 167 HH22 ARG 91 HH22 ARG 91 -1.128 16.851 -16.873 168 H GLN 92 H GLN 92 -6.981 11.356 -13.520 169 HA GLN 92 HA GLN 92 -7.899 9.094 -12.060 170 HB2 GLN 92 HB2 GLN 92 -9.595 8.879 -13.791 171 HB3 GLN 92 HB3 GLN 92 -9.438 10.545 -13.231 172 HG2 GLN 92 HG2 GLN 92 -8.263 11.148 -15.312 173 HG3 GLN 92 HG3 GLN 92 -8.231 9.462 -15.822 174 HE21 GLN 92 HE22 GLN 92 -9.853 8.885 -17.258 175 HE22 GLN 92 HE21 GLN 92 -11.413 9.705 -17.357 176 HA PRO 93 HA PRO 93 -5.936 5.692 -14.321 177 HB2 PRO 93 HB2 PRO 93 -7.584 3.616 -13.766 178 HB3 PRO 93 HB3 PRO 93 -6.572 4.377 -12.503 179 HG2 PRO 93 HG2 PRO 93 -9.498 4.918 -13.098 180 HG3 PRO 93 HG3 PRO 93 -8.739 4.566 -11.518 181 HD2 PRO 93 HD2 PRO 93 -9.226 7.128 -12.332 182 HD3 PRO 93 HD3 PRO 93 -7.773 6.710 -11.380 183 H ALA 94 H ALA 94 -6.326 4.296 -16.192 184 HA ALA 94 HA ALA 94 -7.681 5.588 -18.275 185 HB1 ALA 94 HB1 ALA 94 -5.748 4.098 -18.552 186 HB2 ALA 94 HB2 ALA 94 -6.739 2.691 -18.092 187 HB3 ALA 94 HB3 ALA 94 -7.089 3.586 -19.588 188 H TRP 95 H TRP 95 -8.918 2.922 -16.233 189 HA TRP 95 HA TRP 95 -11.242 2.371 -17.855 190 HB2 TRP 95 HB2 TRP 95 -12.062 1.189 -15.801 191 HB3 TRP 95 HB3 TRP 95 -10.519 0.654 -16.436 192 HD1 TRP 95 HD1 TRP 95 -8.411 0.908 -14.940 193 HE1 TRP 95 HE1 TRP 95 -8.078 1.283 -12.424 194 HE3 TRP 95 HE3 TRP 95 -13.178 2.415 -13.687 195 HZ2 TRP 95 HZ2 TRP 95 -9.646 2.097 -10.181 196 HZ3 TRP 95 HZ3 TRP 95 -13.712 2.940 -11.334 197 HH2 TRP 95 HH2 TRP 95 -11.971 2.772 -9.577 198 H LEU 96 H LEU 96 -10.618 5.079 -15.752 199 HA LEU 96 HA LEU 96 -13.285 5.385 -14.790 200 HB2 LEU 96 HB2 LEU 96 -10.934 6.504 -14.060 201 HB3 LEU 96 HB3 LEU 96 -11.533 7.793 -15.097 202 HG LEU 96 HG LEU 96 -13.764 7.542 -13.707 203 HD11 LEU 96 HD11 LEU 96 -13.421 6.722 -11.420 204 HD12 LEU 96 HD12 LEU 96 -13.082 5.420 -12.565 205 HD13 LEU 96 HD13 LEU 96 -11.743 6.286 -11.792 206 HD21 LEU 96 HD21 LEU 96 -12.992 9.064 -11.993 207 HD22 LEU 96 HD22 LEU 96 -11.304 8.664 -12.357 208 HD23 LEU 96 HD23 LEU 96 -12.302 9.512 -13.563 209 H GLY 97 H GLY 97 -12.001 6.122 -17.910 210 HA2 GLY 97 HA2 GLY 97 -12.881 7.144 -19.788 211 HA3 GLY 97 HA3 GLY 97 -14.439 6.648 -19.135 212 H ASN 98 H ASN 98 -15.694 8.365 -19.609 213 HA ASN 98 HA ASN 98 -15.044 11.018 -18.407 214 HB2 ASN 98 HB2 ASN 98 -15.877 12.123 -20.332 215 HB3 ASN 98 HB3 ASN 98 -14.700 10.950 -20.897 216 HD21 ASN 98 HD22 ASN 98 -16.754 12.187 -22.506 217 HD22 ASN 98 HD21 ASN 98 -17.815 10.892 -23.045 218 H ASP 99 H ASP 99 -16.969 8.548 -17.785 219 HA ASP 99 HA ASP 99 -19.073 10.241 -16.607 220 HB2 ASP 99 HB2 ASP 99 -20.033 9.685 -18.785 221 HB3 ASP 99 HB3 ASP 99 -19.737 7.972 -18.510 222 HA PRO 100 HA PRO 100 -17.080 6.982 -14.091 223 HB2 PRO 100 HB2 PRO 100 -17.558 8.924 -11.867 224 HB3 PRO 100 HB3 PRO 100 -16.104 7.934 -12.248 225 HG2 PRO 100 HG2 PRO 100 -16.179 10.584 -12.875 226 HG3 PRO 100 HG3 PRO 100 -15.478 9.393 -14.023 227 HD2 PRO 100 HD2 PRO 100 -18.254 10.609 -14.041 228 HD3 PRO 100 HD3 PRO 100 -17.101 10.404 -15.389 229 H ALA 101 H ALA 101 -20.322 8.003 -13.862 230 HA ALA 101 HA ALA 101 -21.122 7.003 -11.376 231 HB1 ALA 101 HB1 ALA 101 -23.402 7.090 -12.332 232 HB2 ALA 101 HB2 ALA 101 -22.457 8.514 -12.806 233 HB3 ALA 101 HB3 ALA 101 -22.719 7.192 -13.968 234 H ALA 102 H ALA 102 -20.406 5.104 -14.228 235 HA ALA 102 HA ALA 102 -21.829 2.719 -13.580 236 HB1 ALA 102 HB1 ALA 102 -19.218 3.130 -15.105 237 HB2 ALA 102 HB2 ALA 102 -20.229 1.671 -15.150 238 HB3 ALA 102 HB3 ALA 102 -20.860 3.200 -15.786 239 H PHE 103 H PHE 103 -18.823 3.985 -12.212 240 HA PHE 103 HA PHE 103 -18.589 1.574 -10.459 241 HB2 PHE 103 HB2 PHE 103 -15.992 2.028 -10.850 242 HB3 PHE 103 HB3 PHE 103 -16.952 0.987 -11.877 243 HD1 PHE 103 HD1 PHE 103 -15.844 4.562 -11.625 244 HD2 PHE 103 HD2 PHE 103 -16.955 1.271 -14.187 245 HE1 PHE 103 HE1 PHE 103 -15.350 5.933 -13.613 246 HE2 PHE 103 HE2 PHE 103 -16.473 2.664 -16.181 247 HZ PHE 103 HZ PHE 103 -15.692 4.998 -15.906 248 H LEU 104 H LEU 104 -19.187 4.784 -10.251 249 HA LEU 104 HA LEU 104 -17.579 5.605 -8.022 250 HB2 LEU 104 HB2 LEU 104 -20.165 6.390 -9.264 251 HB3 LEU 104 HB3 LEU 104 -20.035 6.753 -7.551 252 HG LEU 104 HG LEU 104 -17.930 7.601 -9.556 253 HD11 LEU 104 HD11 LEU 104 -20.270 9.203 -8.438 254 HD12 LEU 104 HD12 LEU 104 -18.954 9.848 -9.452 255 HD13 LEU 104 HD13 LEU 104 -20.080 8.667 -10.126 256 HD21 LEU 104 HD21 LEU 104 -18.531 8.453 -6.679 257 HD22 LEU 104 HD22 LEU 104 -17.072 7.625 -7.266 258 HD23 LEU 104 HD23 LEU 104 -17.381 9.279 -7.747 259 H ILE 105 H ILE 105 -17.477 4.863 -5.996 260 HA ILE 105 HA ILE 105 -19.109 2.641 -5.049 261 HB ILE 105 HB ILE 105 -17.103 4.358 -3.537 262 HG12 ILE 105 HG12 ILE 105 -16.741 1.565 -4.734 263 HG13 ILE 105 HG13 ILE 105 -16.212 3.035 -5.539 264 HG21 ILE 105 HG21 ILE 105 -18.510 1.708 -2.926 265 HG22 ILE 105 HG22 ILE 105 -17.172 2.371 -1.950 266 HG23 ILE 105 HG23 ILE 105 -18.702 3.223 -2.021 267 HD11 ILE 105 HD11 ILE 105 -14.298 2.217 -4.416 268 HD12 ILE 105 HD12 ILE 105 -14.872 3.612 -3.474 269 HD13 ILE 105 HD13 ILE 105 -15.179 1.959 -2.903 270 H GLN 106 H GLN 106 -20.944 2.696 -3.975 271 HA GLN 106 HA GLN 106 -21.963 5.132 -2.657 272 HB2 GLN 106 HB2 GLN 106 -24.041 5.068 -4.009 273 HB3 GLN 106 HB3 GLN 106 -22.607 5.428 -4.960 274 HG2 GLN 106 HG2 GLN 106 -22.607 2.880 -5.580 275 HG3 GLN 106 HG3 GLN 106 -24.242 2.868 -4.930 276 HE21 GLN 106 HE22 GLN 106 -22.123 4.075 -7.507 277 HE22 GLN 106 HE21 GLN 106 -23.442 4.597 -8.561 278 HA PRO 107 HA PRO 107 -23.412 2.092 0.132 279 HB2 PRO 107 HB2 PRO 107 -25.433 3.315 1.488 280 HB3 PRO 107 HB3 PRO 107 -23.726 3.820 1.609 281 HG2 PRO 107 HG2 PRO 107 -25.894 5.011 -0.151 282 HG3 PRO 107 HG3 PRO 107 -24.757 5.870 0.936 283 HD2 PRO 107 HD2 PRO 107 -24.272 5.619 -1.734 284 HD3 PRO 107 HD3 PRO 107 -22.941 5.534 -0.537 285 H ASP 108 H ASP 108 -24.667 0.319 0.125 286 HA ASP 108 HA ASP 108 -26.519 -0.229 -1.864 287 HB2 ASP 108 HB2 ASP 108 -25.063 -1.847 -0.654 288 HB3 ASP 108 HB3 ASP 108 -26.093 -1.673 0.772 289 H LEU 109 H LEU 109 -27.120 1.343 1.094 290 HA LEU 109 HA LEU 109 -30.043 1.214 0.846 291 HB2 LEU 109 HB2 LEU 109 -28.367 0.577 3.314 292 HB3 LEU 109 HB3 LEU 109 -30.071 0.961 3.427 293 HG LEU 109 HG LEU 109 -28.948 -1.419 1.887 294 HD11 LEU 109 HD11 LEU 109 -28.610 -1.613 4.314 295 HD12 LEU 109 HD12 LEU 109 -30.330 -1.267 4.597 296 HD13 LEU 109 HD13 LEU 109 -29.844 -2.753 3.750 297 HD21 LEU 109 HD21 LEU 109 -31.816 -0.668 2.626 298 HD22 LEU 109 HD22 LEU 109 -31.133 -0.707 0.983 299 HD23 LEU 109 HD23 LEU 109 -31.303 -2.207 1.902 300 HA PRO 110 HA PRO 110 -29.671 5.536 1.925 301 HB2 PRO 110 HB2 PRO 110 -32.141 6.175 2.923 302 HB3 PRO 110 HB3 PRO 110 -31.883 5.682 1.227 303 HG2 PRO 110 HG2 PRO 110 -32.739 3.924 3.554 304 HG3 PRO 110 HG3 PRO 110 -33.524 4.085 1.948 305 HD2 PRO 110 HD2 PRO 110 -31.774 2.077 2.500 306 HD3 PRO 110 HD3 PRO 110 -31.817 2.853 0.891 307 H ALA 111 H ALA 111 -28.031 4.770 3.386 308 HA ALA 111 HA ALA 111 -28.230 4.372 6.158 309 HB1 ALA 111 HB1 ALA 111 -26.010 5.735 4.572 310 HB2 ALA 111 HB2 ALA 111 -25.858 5.065 6.213 311 HB3 ALA 111 HB3 ALA 111 -26.188 3.983 4.846 312 H ILE 112 H ILE 112 -29.036 5.574 7.714 313 HA ILE 112 HA ILE 112 -30.402 7.172 8.458 314 HB ILE 112 HB ILE 112 -28.339 7.154 9.724 315 HG12 ILE 112 HG12 ILE 112 -28.568 9.153 11.050 316 HG13 ILE 112 HG13 ILE 112 -29.446 9.988 9.775 317 HG21 ILE 112 HG21 ILE 112 -26.718 7.985 8.096 318 HG22 ILE 112 HG22 ILE 112 -27.460 9.597 8.137 319 HG23 ILE 112 HG23 ILE 112 -26.650 8.946 9.573 320 HD11 ILE 112 HD11 ILE 112 -30.433 7.480 11.196 321 HD12 ILE 112 HD12 ILE 112 -30.900 9.143 11.606 322 HD13 ILE 112 HD13 ILE 112 -31.358 8.469 10.035 323 H LEU 113 H LEU 113 -30.959 7.222 6.102 324 HA LEU 113 HA LEU 113 -31.812 10.026 5.549 325 HB2 LEU 113 HB2 LEU 113 -30.637 8.022 3.586 326 HB3 LEU 113 HB3 LEU 113 -31.622 9.371 3.045 327 HG LEU 113 HG LEU 113 -29.038 9.720 4.615 328 HD11 LEU 113 HD11 LEU 113 -28.636 8.688 2.408 329 HD12 LEU 113 HD12 LEU 113 -29.593 9.970 1.627 330 HD13 LEU 113 HD13 LEU 113 -28.065 10.360 2.447 331 HD21 LEU 113 HD21 LEU 113 -29.174 12.047 3.779 332 HD22 LEU 113 HD22 LEU 113 -30.764 11.706 3.069 333 HD23 LEU 113 HD23 LEU 113 -30.534 11.662 4.831 334 H GLU 114 H GLU 114 -32.925 7.217 6.568 335 HA GLU 114 HA GLU 114 -35.636 7.603 5.466 336 HB2 GLU 114 HB2 GLU 114 -34.681 6.013 3.970 337 HB3 GLU 114 HB3 GLU 114 -34.196 4.953 5.306 338 HG2 GLU 114 HG2 GLU 114 -36.569 4.598 5.892 339 HG3 GLU 114 HG3 GLU 114 -37.069 5.731 4.637 Start of MODEL 20 1 H1 MET 71 H1 MET 71 0.789 8.126 4.859 2 H2 MET 71 H2 MET 71 0.799 8.066 6.500 3 H3 MET 71 H3 MET 71 0.392 6.743 5.636 4 HA MET 71 HA MET 71 -1.581 7.678 6.566 5 HB2 MET 71 HB2 MET 71 -2.360 9.905 6.066 6 HB3 MET 71 HB3 MET 71 -0.788 9.979 6.844 7 HG2 MET 71 HG2 MET 71 0.287 10.434 4.649 8 HG3 MET 71 HG3 MET 71 -1.292 10.331 3.855 9 HE1 MET 71 HE1 MET 71 -0.390 14.134 3.581 10 HE2 MET 71 HE2 MET 71 0.756 12.775 3.539 11 HE3 MET 71 HE3 MET 71 -0.807 12.656 2.696 12 H SER 72 H SER 72 -3.652 7.691 5.472 13 HA SER 72 HA SER 72 -3.753 7.468 2.546 14 HB2 SER 72 HB2 SER 72 -3.059 5.179 3.446 15 HB3 SER 72 HB3 SER 72 -4.648 5.097 4.227 16 HG SER 72 HG SER 72 -4.571 4.123 2.096 17 H THR 73 H THR 73 -6.146 6.757 1.978 18 HA THR 73 HA THR 73 -8.170 7.807 3.842 19 HB THR 73 HB THR 73 -7.465 9.751 2.810 20 HG1 THR 73 HG1 THR 73 -9.507 10.472 2.272 21 HG21 THR 73 HG21 THR 73 -6.753 8.977 0.551 22 HG22 THR 73 HG22 THR 73 -8.442 8.591 0.150 23 HG23 THR 73 HG23 THR 73 -7.943 10.276 0.418 24 H VAL 74 H VAL 74 -10.427 7.527 2.875 25 HA VAL 74 HA VAL 74 -10.774 4.773 2.038 26 HB VAL 74 HB VAL 74 -13.198 5.328 1.961 27 HG11 VAL 74 HG11 VAL 74 -11.780 6.208 4.508 28 HG12 VAL 74 HG12 VAL 74 -13.454 5.625 4.370 29 HG13 VAL 74 HG13 VAL 74 -12.110 4.530 4.024 30 HG21 VAL 74 HG21 VAL 74 -12.384 8.109 2.908 31 HG22 VAL 74 HG22 VAL 74 -13.121 7.717 1.337 32 HG23 VAL 74 HG23 VAL 74 -14.027 7.451 2.829 33 HA PRO 75 HA PRO 75 -10.915 5.374 -2.381 34 HB2 PRO 75 HB2 PRO 75 -12.415 3.281 -3.243 35 HB3 PRO 75 HB3 PRO 75 -10.775 3.087 -2.551 36 HG2 PRO 75 HG2 PRO 75 -13.446 2.800 -1.125 37 HG3 PRO 75 HG3 PRO 75 -12.064 1.650 -1.116 38 HD2 PRO 75 HD2 PRO 75 -12.444 3.449 0.883 39 HD3 PRO 75 HD3 PRO 75 -10.797 3.047 0.307 40 H LYS 76 H LYS 76 -12.228 5.876 -4.119 41 HA LYS 76 HA LYS 76 -15.039 6.824 -3.538 42 HB2 LYS 76 HB2 LYS 76 -12.959 8.254 -5.220 43 HB3 LYS 76 HB3 LYS 76 -14.682 8.653 -5.069 44 HG2 LYS 76 HG2 LYS 76 -14.374 8.999 -2.610 45 HG3 LYS 76 HG3 LYS 76 -12.655 8.654 -2.794 46 HD2 LYS 76 HD2 LYS 76 -12.903 11.039 -2.703 47 HD3 LYS 76 HD3 LYS 76 -12.409 10.585 -4.325 48 HE2 LYS 76 HE2 LYS 76 -14.022 12.300 -4.571 49 HE3 LYS 76 HE3 LYS 76 -14.806 10.816 -5.090 50 HZ1 LYS 76 HZ1 LYS 76 -16.240 12.169 -3.627 51 HZ2 LYS 76 HZ2 LYS 76 -15.939 10.742 -2.898 52 HZ3 LYS 76 HZ3 LYS 76 -15.157 12.096 -2.412 53 H TYR 77 H TYR 77 -12.962 5.042 -5.701 54 HA TYR 77 HA TYR 77 -15.324 4.400 -7.427 55 HB2 TYR 77 HB2 TYR 77 -12.502 5.171 -8.256 56 HB3 TYR 77 HB3 TYR 77 -13.650 4.384 -9.318 57 HD1 TYR 77 HD2 TYR 77 -13.023 7.531 -7.411 58 HD2 TYR 77 HD1 TYR 77 -15.249 5.568 -10.530 59 HE1 TYR 77 HE2 TYR 77 -13.830 9.742 -8.214 60 HE2 TYR 77 HE1 TYR 77 -15.978 7.781 -11.398 61 HH TYR 77 HH TYR 77 -15.034 10.870 -9.839 62 H ARG 78 H ARG 78 -15.385 2.335 -8.222 63 HA ARG 78 HA ARG 78 -13.023 0.599 -8.067 64 HB2 ARG 78 HB2 ARG 78 -14.332 0.235 -5.936 65 HB3 ARG 78 HB3 ARG 78 -15.686 -0.356 -6.910 66 HG2 ARG 78 HG2 ARG 78 -14.286 -2.187 -7.799 67 HG3 ARG 78 HG3 ARG 78 -12.853 -1.489 -7.041 68 HD2 ARG 78 HD2 ARG 78 -14.069 -1.811 -4.788 69 HD3 ARG 78 HD3 ARG 78 -15.210 -2.825 -5.700 70 HE ARG 78 HE ARG 78 -12.397 -3.515 -6.153 71 HH11 ARG 78 HH11 ARG 78 -15.024 -4.134 -3.902 72 HH12 ARG 78 HH12 ARG 78 -14.295 -5.606 -3.327 73 HH21 ARG 78 HH21 ARG 78 -11.529 -5.366 -5.373 74 HH22 ARG 78 HH22 ARG 78 -12.353 -6.292 -4.151 75 H ASP 79 H ASP 79 -12.731 -0.222 -9.981 76 HA ASP 79 HA ASP 79 -14.544 -0.112 -12.187 77 HB2 ASP 79 HB2 ASP 79 -12.193 -0.079 -12.528 78 HB3 ASP 79 HB3 ASP 79 -11.955 -1.586 -11.655 79 HA PRO 80 HA PRO 80 -16.657 -3.963 -10.861 80 HB2 PRO 80 HB2 PRO 80 -18.583 -4.158 -12.805 81 HB3 PRO 80 HB3 PRO 80 -18.653 -2.986 -11.459 82 HG2 PRO 80 HG2 PRO 80 -17.634 -2.522 -14.276 83 HG3 PRO 80 HG3 PRO 80 -18.811 -1.531 -13.356 84 HD2 PRO 80 HD2 PRO 80 -16.185 -0.868 -13.470 85 HD3 PRO 80 HD3 PRO 80 -17.120 -0.661 -11.952 86 H ALA 81 H ALA 81 -15.058 -3.483 -13.966 87 HA ALA 81 HA ALA 81 -15.455 -6.175 -14.952 88 HB1 ALA 81 HB1 ALA 81 -13.926 -5.455 -16.720 89 HB2 ALA 81 HB2 ALA 81 -15.152 -4.211 -16.415 90 HB3 ALA 81 HB3 ALA 81 -13.503 -3.997 -15.798 91 H THR 82 H THR 82 -12.814 -4.588 -13.166 92 HA THR 82 HA THR 82 -11.359 -7.217 -12.926 93 HB THR 82 HB THR 82 -9.332 -6.090 -12.919 94 HG1 THR 82 HG1 THR 82 -10.847 -3.724 -13.401 95 HG21 THR 82 HG21 THR 82 -9.203 -5.526 -15.233 96 HG22 THR 82 HG22 THR 82 -10.419 -6.812 -15.025 97 HG23 THR 82 HG23 THR 82 -10.940 -5.136 -15.313 98 H GLY 83 H GLY 83 -12.781 -4.654 -11.037 99 HA2 GLY 83 HA2 GLY 83 -13.058 -4.625 -8.734 100 HA3 GLY 83 HA3 GLY 83 -11.819 -5.863 -8.540 101 H LYS 84 H LYS 84 -10.436 -3.516 -10.475 102 HA LYS 84 HA LYS 84 -8.613 -2.462 -8.523 103 HB2 LYS 84 HB2 LYS 84 -9.352 -1.622 -11.357 104 HB3 LYS 84 HB3 LYS 84 -8.072 -0.843 -10.407 105 HG2 LYS 84 HG2 LYS 84 -6.919 -2.991 -10.119 106 HG3 LYS 84 HG3 LYS 84 -8.174 -3.825 -11.039 107 HD2 LYS 84 HD2 LYS 84 -7.642 -2.437 -13.038 108 HD3 LYS 84 HD3 LYS 84 -6.341 -1.636 -12.124 109 HE2 LYS 84 HE2 LYS 84 -5.238 -3.848 -11.782 110 HE3 LYS 84 HE3 LYS 84 -6.537 -4.635 -12.684 111 HZ1 LYS 84 HZ1 LYS 84 -4.661 -2.610 -13.819 112 HZ2 LYS 84 HZ2 LYS 84 -4.606 -4.212 -14.109 113 HZ3 LYS 84 HZ3 LYS 84 -5.868 -3.338 -14.651 114 H THR 85 H THR 85 -8.400 -0.412 -7.624 115 HA THR 85 HA THR 85 -10.930 1.179 -7.358 116 HB THR 85 HB THR 85 -10.154 1.607 -4.992 117 HG1 THR 85 HG1 THR 85 -8.653 0.126 -4.147 118 HG21 THR 85 HG21 THR 85 -11.942 0.012 -5.433 119 HG22 THR 85 HG22 THR 85 -10.757 -1.295 -5.688 120 HG23 THR 85 HG23 THR 85 -10.934 -0.534 -4.090 121 H TRP 86 H TRP 86 -10.769 3.366 -6.650 122 HA TRP 86 HA TRP 86 -8.169 4.706 -6.634 123 HB2 TRP 86 HB2 TRP 86 -8.714 4.656 -9.032 124 HB3 TRP 86 HB3 TRP 86 -10.255 5.425 -8.722 125 HD1 TRP 86 HD1 TRP 86 -6.505 6.259 -8.068 126 HE1 TRP 86 HE1 TRP 86 -6.134 8.773 -8.483 127 HE3 TRP 86 HE3 TRP 86 -11.281 7.601 -9.253 128 HZ2 TRP 86 HZ2 TRP 86 -7.686 11.036 -9.361 129 HZ3 TRP 86 HZ3 TRP 86 -11.822 9.947 -9.877 130 HH2 TRP 86 HH2 TRP 86 -10.052 11.669 -9.896 131 H SER 87 H SER 87 -8.376 7.003 -5.943 132 HA SER 87 HA SER 87 -10.746 7.403 -4.138 133 HB2 SER 87 HB2 SER 87 -7.870 7.824 -3.304 134 HB3 SER 87 HB3 SER 87 -9.329 7.721 -2.294 135 HG SER 87 HG SER 87 -7.978 5.782 -2.319 136 H GLY 88 H GLY 88 -9.825 8.979 -6.664 137 HA2 GLY 88 HA2 GLY 88 -10.313 11.177 -7.216 138 HA3 GLY 88 HA3 GLY 88 -10.639 11.523 -5.532 139 H ARG 89 H ARG 89 -7.480 10.248 -6.358 140 HA ARG 89 HA ARG 89 -6.203 12.948 -6.166 141 HB2 ARG 89 HB2 ARG 89 -5.478 10.497 -4.501 142 HB3 ARG 89 HB3 ARG 89 -4.516 11.975 -4.608 143 HG2 ARG 89 HG2 ARG 89 -6.435 13.280 -3.694 144 HG3 ARG 89 HG3 ARG 89 -7.349 11.768 -3.497 145 HD2 ARG 89 HD2 ARG 89 -5.608 10.907 -1.970 146 HD3 ARG 89 HD3 ARG 89 -4.682 12.408 -2.185 147 HE ARG 89 HE ARG 89 -7.373 12.974 -1.313 148 HH11 ARG 89 HH11 ARG 89 -4.305 11.881 -0.011 149 HH12 ARG 89 HH12 ARG 89 -4.658 12.494 1.580 150 HH21 ARG 89 HH21 ARG 89 -7.759 13.739 0.732 151 HH22 ARG 89 HH22 ARG 89 -6.579 13.513 1.986 152 H GLY 90 H GLY 90 -4.246 13.196 -7.184 153 HA2 GLY 90 HA2 GLY 90 -2.698 12.859 -8.886 154 HA3 GLY 90 HA3 GLY 90 -2.863 11.117 -8.665 155 H ARG 91 H ARG 91 -2.649 11.213 -11.084 156 HA ARG 91 HA ARG 91 -4.898 12.076 -12.748 157 HB2 ARG 91 HB2 ARG 91 -2.728 10.040 -13.326 158 HB3 ARG 91 HB3 ARG 91 -3.910 10.722 -14.461 159 HG2 ARG 91 HG2 ARG 91 -2.983 12.996 -14.081 160 HG3 ARG 91 HG3 ARG 91 -1.765 12.317 -12.988 161 HD2 ARG 91 HD2 ARG 91 -0.882 10.913 -14.822 162 HD3 ARG 91 HD3 ARG 91 -2.072 11.580 -15.936 163 HE ARG 91 HE ARG 91 0.363 12.874 -14.872 164 HH11 ARG 91 HH11 ARG 91 -2.597 13.491 -16.667 165 HH12 ARG 91 HH12 ARG 91 -1.979 14.972 -17.343 166 HH21 ARG 91 HH21 ARG 91 1.076 14.758 -15.770 167 HH22 ARG 91 HH22 ARG 91 0.053 15.671 -16.839 168 H GLN 92 H GLN 92 -6.745 11.041 -13.241 169 HA GLN 92 HA GLN 92 -7.662 8.760 -11.800 170 HB2 GLN 92 HB2 GLN 92 -9.580 8.786 -13.316 171 HB3 GLN 92 HB3 GLN 92 -9.202 10.394 -12.699 172 HG2 GLN 92 HG2 GLN 92 -8.120 10.959 -14.890 173 HG3 GLN 92 HG3 GLN 92 -8.484 9.335 -15.475 174 HE21 GLN 92 HE22 GLN 92 -10.099 12.347 -14.259 175 HE22 GLN 92 HE21 GLN 92 -11.555 12.065 -15.200 176 HA PRO 93 HA PRO 93 -6.026 5.395 -14.290 177 HB2 PRO 93 HB2 PRO 93 -7.732 3.354 -13.688 178 HB3 PRO 93 HB3 PRO 93 -6.567 4.023 -12.506 179 HG2 PRO 93 HG2 PRO 93 -9.507 4.715 -12.799 180 HG3 PRO 93 HG3 PRO 93 -8.608 4.283 -11.308 181 HD2 PRO 93 HD2 PRO 93 -9.079 6.875 -12.003 182 HD3 PRO 93 HD3 PRO 93 -7.547 6.380 -11.226 183 H ALA 94 H ALA 94 -6.472 4.108 -16.171 184 HA ALA 94 HA ALA 94 -7.751 5.571 -18.147 185 HB1 ALA 94 HB1 ALA 94 -6.947 2.629 -18.199 186 HB2 ALA 94 HB2 ALA 94 -7.201 3.669 -19.614 187 HB3 ALA 94 HB3 ALA 94 -5.874 4.021 -18.494 188 H TRP 95 H TRP 95 -9.191 2.804 -16.379 189 HA TRP 95 HA TRP 95 -11.436 2.413 -18.120 190 HB2 TRP 95 HB2 TRP 95 -12.460 1.394 -15.987 191 HB3 TRP 95 HB3 TRP 95 -11.038 0.649 -16.695 192 HD1 TRP 95 HD1 TRP 95 -8.878 0.515 -15.297 193 HE1 TRP 95 HE1 TRP 95 -8.367 0.829 -12.802 194 HE3 TRP 95 HE3 TRP 95 -13.235 2.855 -13.832 195 HZ2 TRP 95 HZ2 TRP 95 -9.660 1.909 -10.486 196 HZ3 TRP 95 HZ3 TRP 95 -13.515 3.553 -11.491 197 HH2 TRP 95 HH2 TRP 95 -11.758 3.057 -9.805 198 H LEU 96 H LEU 96 -10.878 4.807 -15.609 199 HA LEU 96 HA LEU 96 -13.597 5.332 -14.967 200 HB2 LEU 96 HB2 LEU 96 -11.444 5.738 -13.692 201 HB3 LEU 96 HB3 LEU 96 -11.227 7.213 -14.622 202 HG LEU 96 HG LEU 96 -13.818 6.728 -13.099 203 HD11 LEU 96 HD11 LEU 96 -12.730 7.800 -11.130 204 HD12 LEU 96 HD12 LEU 96 -12.039 6.211 -11.509 205 HD13 LEU 96 HD13 LEU 96 -11.172 7.705 -11.954 206 HD21 LEU 96 HD21 LEU 96 -12.191 9.273 -13.566 207 HD22 LEU 96 HD22 LEU 96 -13.629 8.827 -14.495 208 HD23 LEU 96 HD23 LEU 96 -13.768 9.164 -12.770 209 H GLY 97 H GLY 97 -11.558 6.609 -17.499 210 HA2 GLY 97 HA2 GLY 97 -12.865 9.091 -17.957 211 HA3 GLY 97 HA3 GLY 97 -11.679 8.320 -19.003 212 H ASN 98 H ASN 98 -15.032 7.428 -18.100 213 HA ASN 98 HA ASN 98 -15.993 7.955 -20.856 214 HB2 ASN 98 HB2 ASN 98 -15.215 5.615 -20.943 215 HB3 ASN 98 HB3 ASN 98 -16.190 5.216 -19.530 216 HD21 ASN 98 HD22 ASN 98 -17.880 3.940 -20.271 217 HD22 ASN 98 HD21 ASN 98 -18.842 4.328 -21.686 218 H ASP 99 H ASP 99 -17.073 6.536 -17.698 219 HA ASP 99 HA ASP 99 -19.205 8.535 -17.448 220 HB2 ASP 99 HB2 ASP 99 -20.254 6.969 -18.982 221 HB3 ASP 99 HB3 ASP 99 -19.843 5.610 -17.935 222 HA PRO 100 HA PRO 100 -17.133 7.507 -13.398 223 HB2 PRO 100 HB2 PRO 100 -18.986 9.795 -12.796 224 HB3 PRO 100 HB3 PRO 100 -17.374 9.408 -12.117 225 HG2 PRO 100 HG2 PRO 100 -17.566 11.218 -14.112 226 HG3 PRO 100 HG3 PRO 100 -16.281 9.965 -14.173 227 HD2 PRO 100 HD2 PRO 100 -18.906 10.041 -15.653 228 HD3 PRO 100 HD3 PRO 100 -17.298 9.506 -16.225 229 H ALA 101 H ALA 101 -20.690 7.936 -13.820 230 HA ALA 101 HA ALA 101 -21.429 6.749 -11.372 231 HB1 ALA 101 HB1 ALA 101 -22.910 8.163 -12.760 232 HB2 ALA 101 HB2 ALA 101 -22.957 6.891 -14.007 233 HB3 ALA 101 HB3 ALA 101 -23.671 6.603 -12.406 234 H ALA 102 H ALA 102 -20.243 5.122 -14.240 235 HA ALA 102 HA ALA 102 -21.450 2.543 -13.763 236 HB1 ALA 102 HB1 ALA 102 -18.889 3.312 -15.228 237 HB2 ALA 102 HB2 ALA 102 -19.768 1.777 -15.380 238 HB3 ALA 102 HB3 ALA 102 -20.520 3.283 -15.941 239 H PHE 103 H PHE 103 -18.778 4.190 -12.221 240 HA PHE 103 HA PHE 103 -18.095 1.743 -10.659 241 HB2 PHE 103 HB2 PHE 103 -15.606 2.839 -11.088 242 HB3 PHE 103 HB3 PHE 103 -16.278 1.425 -11.849 243 HD1 PHE 103 HD2 PHE 103 -16.427 5.160 -12.399 244 HD2 PHE 103 HD1 PHE 103 -16.040 1.233 -14.142 245 HE1 PHE 103 HE2 PHE 103 -16.239 6.162 -14.646 246 HE2 PHE 103 HE1 PHE 103 -15.844 2.252 -16.389 247 HZ PHE 103 HZ PHE 103 -15.944 4.720 -16.646 248 H LEU 104 H LEU 104 -18.796 5.074 -10.438 249 HA LEU 104 HA LEU 104 -17.392 5.796 -8.090 250 HB2 LEU 104 HB2 LEU 104 -19.948 6.558 -9.418 251 HB3 LEU 104 HB3 LEU 104 -19.818 6.945 -7.700 252 HG LEU 104 HG LEU 104 -17.803 7.785 -9.789 253 HD11 LEU 104 HD11 LEU 104 -18.794 10.022 -9.594 254 HD12 LEU 104 HD12 LEU 104 -19.989 8.853 -10.163 255 HD13 LEU 104 HD13 LEU 104 -20.022 9.392 -8.470 256 HD21 LEU 104 HD21 LEU 104 -16.730 7.787 -7.597 257 HD22 LEU 104 HD22 LEU 104 -17.133 9.456 -7.980 258 HD23 LEU 104 HD23 LEU 104 -18.153 8.549 -6.845 259 H ILE 105 H ILE 105 -17.447 5.208 -6.041 260 HA ILE 105 HA ILE 105 -19.277 3.104 -5.059 261 HB ILE 105 HB ILE 105 -17.099 4.647 -3.593 262 HG12 ILE 105 HG12 ILE 105 -17.013 1.782 -4.656 263 HG13 ILE 105 HG13 ILE 105 -16.298 3.154 -5.508 264 HG21 ILE 105 HG21 ILE 105 -17.413 2.763 -1.922 265 HG22 ILE 105 HG22 ILE 105 -18.840 3.775 -2.061 266 HG23 ILE 105 HG23 ILE 105 -18.799 2.202 -2.889 267 HD11 ILE 105 HD11 ILE 105 -14.519 2.182 -4.296 268 HD12 ILE 105 HD12 ILE 105 -14.963 3.680 -3.439 269 HD13 ILE 105 HD13 ILE 105 -15.462 2.097 -2.797 270 H GLN 106 H GLN 106 -21.054 3.476 -3.886 271 HA GLN 106 HA GLN 106 -21.597 6.116 -2.669 272 HB2 GLN 106 HB2 GLN 106 -23.917 6.075 -3.595 273 HB3 GLN 106 HB3 GLN 106 -22.652 6.363 -4.789 274 HG2 GLN 106 HG2 GLN 106 -22.838 4.045 -5.603 275 HG3 GLN 106 HG3 GLN 106 -23.999 3.666 -4.323 276 HE21 GLN 106 HE22 GLN 106 -26.032 3.445 -5.287 277 HE22 GLN 106 HE21 GLN 106 -26.646 4.542 -6.514 278 HA PRO 107 HA PRO 107 -23.011 3.607 0.649 279 HB2 PRO 107 HB2 PRO 107 -24.851 5.192 1.941 280 HB3 PRO 107 HB3 PRO 107 -23.092 5.505 1.939 281 HG2 PRO 107 HG2 PRO 107 -25.197 6.738 0.128 282 HG3 PRO 107 HG3 PRO 107 -23.915 7.571 1.066 283 HD2 PRO 107 HD2 PRO 107 -23.614 6.985 -1.562 284 HD3 PRO 107 HD3 PRO 107 -22.234 6.841 -0.433 285 H ASP 108 H ASP 108 -24.627 2.230 1.352 286 HA ASP 108 HA ASP 108 -26.420 1.192 -0.438 287 HB2 ASP 108 HB2 ASP 108 -25.418 0.060 1.527 288 HB3 ASP 108 HB3 ASP 108 -26.493 0.972 2.585 289 H LEU 109 H LEU 109 -27.015 3.861 1.675 290 HA LEU 109 HA LEU 109 -29.748 4.201 0.700 291 HB2 LEU 109 HB2 LEU 109 -28.825 4.301 3.602 292 HB3 LEU 109 HB3 LEU 109 -30.332 5.046 3.078 293 HG LEU 109 HG LEU 109 -29.716 2.063 2.859 294 HD11 LEU 109 HD11 LEU 109 -31.488 3.600 4.805 295 HD12 LEU 109 HD12 LEU 109 -31.313 1.832 4.715 296 HD13 LEU 109 HD13 LEU 109 -29.933 2.830 5.192 297 HD21 LEU 109 HD21 LEU 109 -32.162 1.862 2.450 298 HD22 LEU 109 HD22 LEU 109 -32.302 3.631 2.407 299 HD23 LEU 109 HD23 LEU 109 -31.365 2.764 1.165 300 HA PRO 110 HA PRO 110 -28.240 8.198 -0.177 301 HB2 PRO 110 HB2 PRO 110 -30.468 9.816 -0.080 302 HB3 PRO 110 HB3 PRO 110 -30.170 8.589 -1.346 303 HG2 PRO 110 HG2 PRO 110 -31.843 8.299 1.166 304 HG3 PRO 110 HG3 PRO 110 -32.292 7.877 -0.521 305 HD2 PRO 110 HD2 PRO 110 -31.384 6.007 1.221 306 HD3 PRO 110 HD3 PRO 110 -30.886 5.962 -0.498 307 H ALA 111 H ALA 111 -27.364 10.018 0.721 308 HA ALA 111 HA ALA 111 -27.284 10.341 3.581 309 HB1 ALA 111 HB1 ALA 111 -25.874 12.297 3.034 310 HB2 ALA 111 HB2 ALA 111 -25.386 10.874 2.093 311 HB3 ALA 111 HB3 ALA 111 -26.339 12.170 1.327 312 H ILE 112 H ILE 112 -27.911 12.153 4.809 313 HA ILE 112 HA ILE 112 -29.733 13.141 5.740 314 HB ILE 112 HB ILE 112 -28.003 14.732 5.238 315 HG12 ILE 112 HG12 ILE 112 -29.132 16.837 5.520 316 HG13 ILE 112 HG13 ILE 112 -30.663 16.178 4.962 317 HG21 ILE 112 HG21 ILE 112 -29.499 15.499 2.705 318 HG22 ILE 112 HG22 ILE 112 -28.092 16.333 3.392 319 HG23 ILE 112 HG23 ILE 112 -27.929 14.682 2.801 320 HD11 ILE 112 HD11 ILE 112 -30.793 14.722 6.945 321 HD12 ILE 112 HD12 ILE 112 -29.175 15.267 7.468 322 HD13 ILE 112 HD13 ILE 112 -30.538 16.403 7.429 323 H LEU 113 H LEU 113 -31.029 11.428 4.764 324 HA LEU 113 HA LEU 113 -33.000 12.053 2.758 325 HB2 LEU 113 HB2 LEU 113 -32.263 9.766 3.313 326 HB3 LEU 113 HB3 LEU 113 -32.940 9.920 4.935 327 HG LEU 113 HG LEU 113 -35.222 10.045 3.996 328 HD11 LEU 113 HD11 LEU 113 -35.605 9.492 1.597 329 HD12 LEU 113 HD12 LEU 113 -34.815 11.057 1.799 330 HD13 LEU 113 HD13 LEU 113 -33.859 9.642 1.294 331 HD21 LEU 113 HD21 LEU 113 -33.601 7.692 2.937 332 HD22 LEU 113 HD22 LEU 113 -34.242 7.866 4.583 333 HD23 LEU 113 HD23 LEU 113 -35.355 7.715 3.215 334 H GLU 114 H GLU 114 -32.988 12.401 6.278 335 HA GLU 114 HA GLU 114 -35.300 14.170 6.274 336 HB2 GLU 114 HB2 GLU 114 -36.630 12.907 7.874 337 HB3 GLU 114 HB3 GLU 114 -36.460 12.036 6.357 338 HG2 GLU 114 HG2 GLU 114 -34.732 10.566 7.404 339 HG3 GLU 114 HG3 GLU 114 -34.912 11.448 8.921
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