NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
529938 | 2lfi | 17754 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 21.288 -29.099 1.487 2 H2 MET 1 2H MET 1 21.191 -28.902 -0.186 3 H3 MET 1 3H MET 1 21.061 -30.445 0.490 4 HA MET 1 HA MET 1 18.926 -29.613 -0.202 5 HB2 MET 1 2HB MET 1 19.087 -31.143 1.758 6 HB3 MET 1 3HB MET 1 19.242 -29.761 2.835 7 HG2 MET 1 2HG MET 1 16.974 -30.718 2.883 8 HG3 MET 1 3HG MET 1 16.961 -29.053 2.289 9 HE1 MET 1 3HE MET 1 14.440 -30.926 1.892 10 HE2 MET 1 1HE MET 1 14.049 -30.599 0.201 11 HE3 MET 1 2HE MET 1 14.548 -29.283 1.258 12 H ILE 2 H ILE 2 17.370 -28.034 -0.186 13 HA ILE 2 HA ILE 2 18.029 -25.368 0.936 14 HB ILE 2 HB ILE 2 16.336 -26.142 -1.510 15 HG12 ILE 2 2HG1 ILE 2 18.789 -26.379 -1.906 16 HG13 ILE 2 3HG1 ILE 2 18.085 -25.109 -2.895 17 HG21 ILE 2 1HG2 ILE 2 16.993 -23.360 -0.483 18 HG22 ILE 2 2HG2 ILE 2 15.408 -24.134 -0.468 19 HG23 ILE 2 3HG2 ILE 2 16.173 -23.728 -2.003 20 HD11 ILE 2 3HD1 ILE 2 20.239 -24.433 -2.068 21 HD12 ILE 2 1HD1 ILE 2 19.742 -24.726 -0.402 22 HD13 ILE 2 2HD1 ILE 2 18.993 -23.427 -1.334 23 H GLU 3 H GLU 3 16.217 -24.155 1.883 24 HA GLU 3 HA GLU 3 13.647 -25.616 2.132 25 HB2 GLU 3 2HB GLU 3 13.221 -24.607 4.306 26 HB3 GLU 3 3HB GLU 3 14.734 -25.502 4.379 27 HG2 GLU 3 2HG GLU 3 16.037 -23.512 4.417 28 HG3 GLU 3 3HG GLU 3 14.679 -22.507 3.915 29 HA PRO 4 HA PRO 4 11.989 -21.899 0.175 30 HB2 PRO 4 2HB PRO 4 9.358 -22.529 1.450 31 HB3 PRO 4 3HB PRO 4 9.796 -22.492 -0.272 32 HG2 PRO 4 2HG PRO 4 9.297 -24.811 0.976 33 HG3 PRO 4 3HG PRO 4 10.556 -24.697 -0.278 34 HD2 PRO 4 2HD PRO 4 10.882 -24.674 2.730 35 HD3 PRO 4 3HD PRO 4 11.794 -25.583 1.499 36 H ILE 5 H ILE 5 12.305 -19.876 0.930 37 HA ILE 5 HA ILE 5 11.159 -19.047 3.558 38 HB ILE 5 HB ILE 5 13.073 -17.395 3.753 39 HG12 ILE 5 2HG1 ILE 5 14.332 -19.051 1.512 40 HG13 ILE 5 3HG1 ILE 5 13.756 -17.400 1.347 41 HG21 ILE 5 1HG2 ILE 5 13.103 -19.449 5.079 42 HG22 ILE 5 2HG2 ILE 5 14.747 -19.028 4.585 43 HG23 ILE 5 3HG2 ILE 5 13.881 -20.325 3.757 44 HD11 ILE 5 3HD1 ILE 5 16.166 -17.495 1.518 45 HD12 ILE 5 1HD1 ILE 5 16.052 -18.300 3.082 46 HD13 ILE 5 2HD1 ILE 5 15.479 -16.644 2.899 47 H LYS 6 H LYS 6 10.858 -16.593 3.654 48 HA LYS 6 HA LYS 6 10.605 -15.182 1.160 49 HB2 LYS 6 2HB LYS 6 8.248 -14.841 1.045 50 HB3 LYS 6 3HB LYS 6 8.479 -16.573 1.203 51 HG2 LYS 6 2HG LYS 6 7.755 -14.770 3.531 52 HG3 LYS 6 3HG LYS 6 6.560 -15.581 2.528 53 HD2 LYS 6 2HD LYS 6 8.738 -17.066 4.038 54 HD3 LYS 6 3HD LYS 6 7.149 -16.744 4.733 55 HE2 LYS 6 2HE LYS 6 6.162 -17.993 2.745 56 HE3 LYS 6 3HE LYS 6 7.809 -18.453 2.315 57 HZ1 LYS 6 3HZ LYS 6 8.035 -19.583 4.403 58 HZ2 LYS 6 1HZ LYS 6 6.651 -20.158 3.624 59 HZ3 LYS 6 2HZ LYS 6 6.514 -19.075 4.914 60 H ARG 7 H ARG 7 10.810 -13.063 1.444 61 HA ARG 7 HA ARG 7 10.473 -11.740 4.019 62 HB2 ARG 7 2HB ARG 7 11.163 -10.701 1.226 63 HB3 ARG 7 3HB ARG 7 11.043 -9.673 2.643 64 HG2 ARG 7 2HG ARG 7 13.012 -11.959 2.493 65 HG3 ARG 7 3HG ARG 7 13.382 -10.362 1.854 66 HD2 ARG 7 2HD ARG 7 14.328 -10.514 4.041 67 HD3 ARG 7 3HD ARG 7 12.951 -9.420 4.138 68 HE ARG 7 HE ARG 7 11.723 -11.489 5.033 69 HH11 ARG 7 1HH1 ARG 7 15.131 -10.860 5.628 70 HH12 ARG 7 2HH1 ARG 7 15.141 -11.728 7.133 71 HH21 ARG 7 1HH2 ARG 7 11.735 -12.580 7.013 72 HH22 ARG 7 2HH2 ARG 7 13.213 -12.697 7.920 73 H THR 8 H THR 8 8.567 -10.623 4.545 74 HA THR 8 HA THR 8 6.511 -10.356 2.426 75 HB THR 8 HB THR 8 6.005 -11.140 5.350 76 HG1 THR 8 HG1 THR 8 6.791 -12.908 4.228 77 HG21 THR 8 3HG2 THR 8 4.145 -9.797 4.387 78 HG22 THR 8 1HG2 THR 8 3.664 -11.475 4.631 79 HG23 THR 8 2HG2 THR 8 4.062 -10.900 3.011 80 H GLN 9 H GLN 9 6.673 -8.244 2.030 81 HA GLN 9 HA GLN 9 6.571 -6.250 4.179 82 HB2 GLN 9 2HB GLN 9 8.121 -5.855 2.267 83 HB3 GLN 9 3HB GLN 9 6.768 -5.912 1.142 84 HG2 GLN 9 2HG GLN 9 7.444 -3.601 1.562 85 HG3 GLN 9 3HG GLN 9 5.816 -3.876 2.181 86 HE21 GLN 9 1HE2 GLN 9 9.126 -3.230 3.053 87 HE22 GLN 9 2HE2 GLN 9 8.840 -2.894 4.718 88 H VAL 10 H VAL 10 4.798 -4.932 4.481 89 HA VAL 10 HA VAL 10 2.471 -5.243 2.670 90 HB VAL 10 HB VAL 10 0.941 -4.855 4.582 91 HG11 VAL 10 1HG1 VAL 10 1.124 -7.081 5.652 92 HG12 VAL 10 2HG1 VAL 10 2.767 -7.251 5.026 93 HG13 VAL 10 3HG1 VAL 10 1.400 -7.172 3.913 94 HG21 VAL 10 3HG2 VAL 10 1.729 -5.006 6.932 95 HG22 VAL 10 1HG2 VAL 10 2.426 -3.615 6.102 96 HG23 VAL 10 2HG2 VAL 10 3.402 -5.059 6.370 97 H VAL 11 H VAL 11 1.821 -3.319 1.796 98 HA VAL 11 HA VAL 11 3.029 -0.827 2.799 99 HB VAL 11 HB VAL 11 1.259 -1.306 0.344 100 HG11 VAL 11 1HG1 VAL 11 1.932 0.969 -0.357 101 HG12 VAL 11 2HG1 VAL 11 2.807 1.187 1.161 102 HG13 VAL 11 3HG1 VAL 11 1.051 1.004 1.170 103 HG21 VAL 11 3HG2 VAL 11 3.327 -1.039 -0.973 104 HG22 VAL 11 1HG2 VAL 11 3.466 -2.398 0.143 105 HG23 VAL 11 2HG2 VAL 11 4.269 -0.870 0.511 106 H THR 12 H THR 12 2.014 -0.139 4.549 107 HA THR 12 HA THR 12 -0.890 -0.472 4.883 108 HB THR 12 HB THR 12 1.288 0.120 6.946 109 HG1 THR 12 HG1 THR 12 -0.150 -2.314 6.690 110 HG21 THR 12 3HG2 THR 12 -1.631 -0.624 7.325 111 HG22 THR 12 1HG2 THR 12 -0.901 0.938 7.703 112 HG23 THR 12 2HG2 THR 12 -0.428 -0.499 8.616 113 H GLN 13 H GLN 13 -1.873 1.258 4.044 114 HA GLN 13 HA GLN 13 -0.877 3.993 4.610 115 HB2 GLN 13 2HB GLN 13 -0.882 3.401 2.232 116 HB3 GLN 13 3HB GLN 13 -2.577 2.931 2.321 117 HG2 GLN 13 2HG GLN 13 -3.222 5.245 2.787 118 HG3 GLN 13 3HG GLN 13 -1.532 5.748 2.774 119 HE21 GLN 13 1HE2 GLN 13 -3.851 6.505 1.075 120 HE22 GLN 13 2HE2 GLN 13 -3.312 6.282 -0.537 121 H THR 14 H THR 14 -2.099 5.215 5.928 122 HA THR 14 HA THR 14 -4.760 4.259 6.791 123 HB THR 14 HB THR 14 -2.873 6.313 8.044 124 HG1 THR 14 HG1 THR 14 -2.943 3.592 8.118 125 HG21 THR 14 3HG2 THR 14 -5.217 6.782 8.658 126 HG22 THR 14 1HG2 THR 14 -4.349 6.114 10.039 127 HG23 THR 14 2HG2 THR 14 -5.451 5.092 9.120 128 H ILE 15 H ILE 15 -6.348 5.127 5.572 129 HA ILE 15 HA ILE 15 -6.128 7.729 4.300 130 HB ILE 15 HB ILE 15 -8.335 5.610 4.216 131 HG12 ILE 15 2HG1 ILE 15 -7.702 5.532 1.770 132 HG13 ILE 15 3HG1 ILE 15 -6.407 6.663 2.096 133 HG21 ILE 15 1HG2 ILE 15 -8.310 8.325 2.820 134 HG22 ILE 15 2HG2 ILE 15 -9.425 7.823 4.092 135 HG23 ILE 15 3HG2 ILE 15 -9.483 7.039 2.515 136 HD11 ILE 15 3HD1 ILE 15 -5.289 5.017 3.477 137 HD12 ILE 15 1HD1 ILE 15 -5.608 4.386 1.863 138 HD13 ILE 15 2HD1 ILE 15 -6.614 3.876 3.220 139 H HIS 16 H HIS 16 -6.558 9.459 5.397 140 HA HIS 16 HA HIS 16 -8.535 9.570 7.562 141 HB2 HIS 16 2HB HIS 16 -6.485 11.592 6.525 142 HB3 HIS 16 3HB HIS 16 -7.635 11.934 7.816 143 HD1 HIS 16 HD1 HIS 16 -6.543 11.797 10.016 144 HD2 HIS 16 HD2 HIS 16 -4.920 9.051 7.363 145 HE1 HIS 16 HE1 HIS 16 -4.746 10.601 11.299 146 HE2 HIS 16 HE2 HIS 16 -3.617 9.163 9.585 147 H TYR 17 H TYR 17 -10.538 9.740 6.713 148 HA TYR 17 HA TYR 17 -11.195 11.367 4.420 149 HB2 TYR 17 2HB TYR 17 -12.951 10.042 6.537 150 HB3 TYR 17 3HB TYR 17 -13.546 10.832 5.083 151 HD1 TYR 17 HD2 TYR 17 -12.954 9.819 2.823 152 HD2 TYR 17 HD1 TYR 17 -12.288 7.729 6.479 153 HE1 TYR 17 HE2 TYR 17 -12.857 7.707 1.589 154 HE2 TYR 17 HE1 TYR 17 -12.202 5.618 5.234 155 HH TYR 17 HH TYR 17 -12.125 5.489 1.794 156 H ARG 18 H ARG 18 -11.215 13.536 4.627 157 HA ARG 18 HA ARG 18 -12.511 14.744 6.984 158 HB2 ARG 18 2HB ARG 18 -9.907 15.778 5.770 159 HB3 ARG 18 3HB ARG 18 -10.886 16.626 6.959 160 HG2 ARG 18 2HG ARG 18 -10.486 14.478 8.426 161 HG3 ARG 18 3HG ARG 18 -9.132 14.216 7.325 162 HD2 ARG 18 2HD ARG 18 -9.631 16.628 9.077 163 HD3 ARG 18 3HD ARG 18 -8.352 15.428 9.267 164 HE ARG 18 HE ARG 18 -7.762 16.361 6.854 165 HH11 ARG 18 1HH1 ARG 18 -8.598 18.175 9.758 166 HH12 ARG 18 2HH1 ARG 18 -7.668 19.566 9.292 167 HH21 ARG 18 1HH2 ARG 18 -6.575 18.202 6.250 168 HH22 ARG 18 2HH2 ARG 18 -6.520 19.585 7.302 169 H TYR 19 H TYR 19 -13.158 16.961 6.570 170 HA TYR 19 HA TYR 19 -14.142 17.403 3.839 171 HB2 TYR 19 2HB TYR 19 -14.726 18.841 6.477 172 HB3 TYR 19 3HB TYR 19 -15.516 19.176 4.938 173 HD1 TYR 19 HD1 TYR 19 -15.146 16.659 7.640 174 HD2 TYR 19 HD2 TYR 19 -17.358 17.789 4.167 175 HE1 TYR 19 HE1 TYR 19 -16.846 14.984 8.187 176 HE2 TYR 19 HE2 TYR 19 -19.061 16.112 4.716 177 HH TYR 19 HH TYR 19 -19.168 14.512 7.733 178 H GLU 20 H GLU 20 -14.129 19.837 3.254 179 HA GLU 20 HA GLU 20 -11.435 20.829 3.180 180 HB2 GLU 20 2HB GLU 20 -12.341 22.693 1.882 181 HB3 GLU 20 3HB GLU 20 -13.022 21.172 1.304 182 HG2 GLU 20 2HG GLU 20 -15.137 21.603 2.252 183 HG3 GLU 20 3HG GLU 20 -14.519 22.879 3.305 184 H ASP 21 H ASP 21 -14.192 21.323 5.235 185 HA ASP 21 HA ASP 21 -13.449 23.685 6.619 186 HB2 ASP 21 2HB ASP 21 -15.695 22.684 6.737 187 HB3 ASP 21 3HB ASP 21 -15.050 21.238 7.505 188 H GLY 22 H GLY 22 -12.060 20.534 6.564 189 HA2 GLY 22 2HA GLY 22 -10.102 19.826 7.639 190 HA3 GLY 22 3HA GLY 22 -10.320 21.077 8.861 191 H ALA 23 H ALA 23 -13.298 20.009 8.802 192 HA ALA 23 HA ALA 23 -13.310 18.504 11.135 193 HB1 ALA 23 3HB ALA 23 -15.277 19.706 10.252 194 HB2 ALA 23 1HB ALA 23 -15.671 18.017 10.576 195 HB3 ALA 23 2HB ALA 23 -15.392 18.558 8.915 196 H VAL 24 H VAL 24 -13.298 16.257 11.559 197 HA VAL 24 HA VAL 24 -12.115 14.624 9.421 198 HB VAL 24 HB VAL 24 -12.433 13.917 12.387 199 HG11 VAL 24 1HG1 VAL 24 -10.633 12.714 10.239 200 HG12 VAL 24 2HG1 VAL 24 -12.066 11.957 10.937 201 HG13 VAL 24 3HG1 VAL 24 -10.653 12.257 11.946 202 HG21 VAL 24 3HG2 VAL 24 -11.076 15.972 12.132 203 HG22 VAL 24 1HG2 VAL 24 -10.005 15.136 11.007 204 HG23 VAL 24 2HG2 VAL 24 -10.095 14.620 12.693 205 H ALA 25 H ALA 25 -13.549 13.550 8.167 206 HA ALA 25 HA ALA 25 -16.143 12.652 8.982 207 HB1 ALA 25 3HB ALA 25 -15.668 13.152 6.634 208 HB2 ALA 25 1HB ALA 25 -16.201 11.478 6.803 209 HB3 ALA 25 2HB ALA 25 -14.490 11.843 6.566 210 H HIS 26 H HIS 26 -12.993 10.988 8.521 211 HA HIS 26 HA HIS 26 -13.208 9.446 10.861 212 HB2 HIS 26 2HB HIS 26 -14.847 8.119 9.442 213 HB3 HIS 26 3HB HIS 26 -13.521 7.729 8.350 214 HD1 HIS 26 HD1 HIS 26 -12.469 5.530 8.855 215 HD2 HIS 26 HD2 HIS 26 -14.165 7.226 12.239 216 HE1 HIS 26 HE1 HIS 26 -12.128 3.864 10.693 217 HE2 HIS 26 HE2 HIS 26 -13.167 4.900 12.723 218 H ASP 27 H ASP 27 -11.093 9.297 11.457 219 HA ASP 27 HA ASP 27 -9.027 10.006 9.587 220 HB2 ASP 27 2HB ASP 27 -7.528 10.124 11.516 221 HB3 ASP 27 3HB ASP 27 -9.043 10.931 11.884 222 H ASP 28 H ASP 28 -9.942 6.983 11.170 223 HA ASP 28 HA ASP 28 -7.379 5.735 10.381 224 HB2 ASP 28 2HB ASP 28 -7.925 5.870 12.839 225 HB3 ASP 28 3HB ASP 28 -9.344 4.872 12.556 226 H HIS 29 H HIS 29 -8.417 5.515 8.155 227 HA HIS 29 HA HIS 29 -9.792 2.874 8.090 228 HB2 HIS 29 2HB HIS 29 -11.196 4.763 7.177 229 HB3 HIS 29 3HB HIS 29 -9.976 5.010 5.927 230 HD1 HIS 29 HD1 HIS 29 -11.142 4.184 3.858 231 HD2 HIS 29 HD2 HIS 29 -11.588 1.539 7.025 232 HE1 HIS 29 HE1 HIS 29 -12.309 2.178 2.909 233 HE2 HIS 29 HE2 HIS 29 -12.385 0.531 4.786 234 H VAL 30 H VAL 30 -8.082 1.571 7.952 235 HA VAL 30 HA VAL 30 -5.673 2.457 6.496 236 HB VAL 30 HB VAL 30 -5.918 0.326 8.681 237 HG11 VAL 30 1HG1 VAL 30 -3.891 0.132 7.302 238 HG12 VAL 30 2HG1 VAL 30 -3.488 0.656 8.935 239 HG13 VAL 30 3HG1 VAL 30 -3.496 1.825 7.613 240 HG21 VAL 30 3HG2 VAL 30 -5.167 3.258 9.024 241 HG22 VAL 30 1HG2 VAL 30 -5.139 2.027 10.288 242 HG23 VAL 30 2HG2 VAL 30 -6.674 2.518 9.565 243 H VAL 31 H VAL 31 -5.279 1.464 4.593 244 HA VAL 31 HA VAL 31 -6.193 -1.302 4.063 245 HB VAL 31 HB VAL 31 -6.850 0.426 2.400 246 HG11 VAL 31 1HG1 VAL 31 -5.223 1.550 0.946 247 HG12 VAL 31 2HG1 VAL 31 -3.892 0.836 1.859 248 HG13 VAL 31 3HG1 VAL 31 -4.974 1.993 2.637 249 HG21 VAL 31 3HG2 VAL 31 -6.117 -0.734 0.343 250 HG22 VAL 31 1HG2 VAL 31 -6.566 -1.882 1.607 251 HG23 VAL 31 2HG2 VAL 31 -4.864 -1.575 1.257 252 H SER 32 H SER 32 -4.679 -2.866 3.417 253 HA SER 32 HA SER 32 -1.809 -2.200 3.363 254 HB2 SER 32 2HB SER 32 -1.334 -4.292 4.649 255 HB3 SER 32 3HB SER 32 -2.246 -3.115 5.592 256 HG SER 32 HG SER 32 -3.795 -4.940 4.186 257 H LEU 33 H LEU 33 -0.830 -3.042 1.595 258 HA LEU 33 HA LEU 33 -2.090 -5.338 0.179 259 HB2 LEU 33 2HB LEU 33 -0.166 -3.224 -0.848 260 HB3 LEU 33 3HB LEU 33 -0.685 -4.624 -1.775 261 HG LEU 33 HG LEU 33 -2.449 -2.323 -0.849 262 HD11 LEU 33 1HD1 LEU 33 -0.981 -1.787 -2.735 263 HD12 LEU 33 2HD1 LEU 33 -2.667 -1.845 -3.237 264 HD13 LEU 33 3HD1 LEU 33 -1.588 -3.186 -3.628 265 HD21 LEU 33 3HD2 LEU 33 -3.738 -4.421 -0.753 266 HD22 LEU 33 1HD2 LEU 33 -3.269 -4.806 -2.411 267 HD23 LEU 33 2HD2 LEU 33 -4.293 -3.406 -2.082 268 H ILE 34 H ILE 34 -1.040 -7.222 0.225 269 HA ILE 34 HA ILE 34 1.478 -7.417 1.693 270 HB ILE 34 HB ILE 34 -0.442 -9.601 0.718 271 HG12 ILE 34 2HG1 ILE 34 -0.793 -9.956 3.238 272 HG13 ILE 34 3HG1 ILE 34 0.086 -8.462 3.512 273 HG21 ILE 34 1HG2 ILE 34 1.865 -10.470 0.730 274 HG22 ILE 34 2HG2 ILE 34 0.938 -11.197 2.039 275 HG23 ILE 34 3HG2 ILE 34 2.093 -9.911 2.390 276 HD11 ILE 34 3HD1 ILE 34 -1.661 -7.217 2.344 277 HD12 ILE 34 1HD1 ILE 34 -2.322 -8.159 3.680 278 HD13 ILE 34 2HD1 ILE 34 -2.528 -8.720 2.022 279 H PHE 35 H PHE 35 3.231 -7.114 0.479 280 HA PHE 35 HA PHE 35 3.565 -8.473 -2.121 281 HB2 PHE 35 2HB PHE 35 5.252 -6.314 -0.758 282 HB3 PHE 35 3HB PHE 35 5.634 -7.060 -2.310 283 HD1 PHE 35 HD1 PHE 35 3.285 -4.774 -0.560 284 HD2 PHE 35 HD2 PHE 35 4.449 -6.422 -4.336 285 HE1 PHE 35 HE1 PHE 35 1.939 -3.076 -1.729 286 HE2 PHE 35 HE2 PHE 35 3.110 -4.712 -5.488 287 HZ PHE 35 HZ PHE 35 1.854 -3.040 -4.188 288 H THR 36 H THR 36 4.711 -10.331 -2.142 289 HA THR 36 HA THR 36 6.341 -11.057 0.237 290 HB THR 36 HB THR 36 4.600 -12.927 -1.449 291 HG1 THR 36 HG1 THR 36 3.551 -11.397 0.066 292 HG21 THR 36 3HG2 THR 36 6.183 -13.470 1.106 293 HG22 THR 36 1HG2 THR 36 6.582 -14.087 -0.497 294 HG23 THR 36 2HG2 THR 36 5.097 -14.605 0.298 295 H GLN 37 H GLN 37 8.378 -10.828 -0.443 296 HA GLN 37 HA GLN 37 9.352 -11.716 -3.041 297 HB2 GLN 37 2HB GLN 37 10.359 -9.731 -2.041 298 HB3 GLN 37 3HB GLN 37 10.750 -10.606 -0.565 299 HG2 GLN 37 2HG GLN 37 12.333 -12.027 -1.884 300 HG3 GLN 37 3HG GLN 37 11.993 -11.037 -3.304 301 HE21 GLN 37 1HE2 GLN 37 12.652 -8.856 -3.286 302 HE22 GLN 37 2HE2 GLN 37 13.923 -8.309 -2.255 303 H SER 38 H SER 38 9.042 -13.968 -3.077 304 HA SER 38 HA SER 38 9.916 -15.657 -0.907 305 HB2 SER 38 2HB SER 38 9.316 -16.498 -3.775 306 HB3 SER 38 3HB SER 38 9.306 -17.508 -2.326 307 HG SER 38 HG SER 38 7.550 -16.339 -1.562 308 H GLY 39 H GLY 39 11.866 -16.504 -0.618 309 HA2 GLY 39 2HA GLY 39 13.894 -16.567 -2.789 310 HA3 GLY 39 3HA GLY 39 14.285 -16.115 -1.126 311 H LYS 40 H LYS 40 15.806 -17.978 -1.549 312 HA LYS 40 HA LYS 40 14.623 -20.396 -0.387 313 HB2 LYS 40 2HB LYS 40 15.786 -21.862 -1.970 314 HB3 LYS 40 3HB LYS 40 14.667 -20.812 -2.804 315 HG2 LYS 40 2HG LYS 40 16.462 -20.790 -4.246 316 HG3 LYS 40 3HG LYS 40 16.807 -19.355 -3.283 317 HD2 LYS 40 2HD LYS 40 18.433 -20.630 -1.942 318 HD3 LYS 40 3HD LYS 40 18.044 -22.106 -2.832 319 HE2 LYS 40 2HE LYS 40 19.191 -19.601 -4.101 320 HE3 LYS 40 3HE LYS 40 20.159 -20.970 -3.563 321 HZ1 LYS 40 3HZ LYS 40 18.020 -21.116 -5.612 322 HZ2 LYS 40 1HZ LYS 40 19.075 -22.363 -5.158 323 HZ3 LYS 40 2HZ LYS 40 19.673 -20.988 -5.942 324 H ARG 41 H ARG 41 16.059 -21.542 0.966 325 HA ARG 41 HA ARG 41 18.454 -19.965 1.754 326 HB2 ARG 41 2HB ARG 41 16.605 -19.964 3.424 327 HB3 ARG 41 3HB ARG 41 16.667 -21.718 3.500 328 HG2 ARG 41 2HG ARG 41 19.051 -21.517 4.322 329 HG3 ARG 41 3HG ARG 41 18.816 -19.770 4.386 330 HD2 ARG 41 2HD ARG 41 17.234 -21.826 5.959 331 HD3 ARG 41 3HD ARG 41 18.523 -20.803 6.599 332 HE ARG 41 HE ARG 41 16.685 -19.048 5.550 333 HH11 ARG 41 2HH1 ARG 41 16.542 -21.566 8.020 334 HH12 ARG 41 1HH1 ARG 41 15.288 -20.765 8.912 335 HH21 ARG 41 2HH2 ARG 41 15.065 -18.028 6.734 336 HH22 ARG 41 1HH2 ARG 41 14.450 -18.768 8.186 337 H ASP 42 H ASP 42 20.311 -20.970 1.330 338 HA ASP 42 HA ASP 42 20.663 -23.791 0.934 339 HB2 ASP 42 2HB ASP 42 22.213 -22.227 -0.109 340 HB3 ASP 42 3HB ASP 42 22.611 -21.520 1.438 341 H LEU 43 H LEU 43 20.629 -25.262 2.516 342 HA LEU 43 HA LEU 43 20.603 -24.476 5.300 343 HB2 LEU 43 2HB LEU 43 20.356 -27.159 3.891 344 HB3 LEU 43 3HB LEU 43 20.358 -27.014 5.641 345 HG LEU 43 HG LEU 43 18.300 -25.839 3.716 346 HD11 LEU 43 1HD1 LEU 43 17.999 -27.976 5.848 347 HD12 LEU 43 2HD1 LEU 43 18.023 -28.233 4.101 348 HD13 LEU 43 3HD1 LEU 43 16.706 -27.324 4.835 349 HD21 LEU 43 3HD2 LEU 43 18.625 -24.224 5.499 350 HD22 LEU 43 1HD2 LEU 43 18.450 -25.482 6.728 351 HD23 LEU 43 2HD2 LEU 43 17.076 -25.030 5.716 352 H THR 44 H THR 44 23.128 -25.421 3.164 353 HA THR 44 HA THR 44 24.630 -26.979 5.050 354 HB THR 44 HB THR 44 26.254 -27.246 3.372 355 HG1 THR 44 HG1 THR 44 25.180 -25.166 1.780 356 HG21 THR 44 3HG2 THR 44 25.036 -27.844 1.331 357 HG22 THR 44 1HG2 THR 44 23.656 -26.878 1.878 358 HG23 THR 44 2HG2 THR 44 24.133 -28.330 2.766 359 H ASN 45 H ASN 45 25.047 -23.745 3.588 360 HA ASN 45 HA ASN 45 26.987 -22.914 5.653 361 HB2 ASN 45 2HB ASN 45 27.101 -22.210 3.184 362 HB3 ASN 45 3HB ASN 45 25.702 -21.185 3.470 363 HD21 ASN 45 1HD2 ASN 45 28.249 -20.323 2.569 364 HD22 ASN 45 2HD2 ASN 45 28.890 -19.232 3.747 365 H GLY 46 H GLY 46 23.590 -22.560 4.824 366 HA2 GLY 46 2HA GLY 46 21.870 -22.002 6.379 367 HA3 GLY 46 3HA GLY 46 23.032 -21.120 7.365 368 H LYS 47 H LYS 47 23.624 -20.395 4.193 369 HA LYS 47 HA LYS 47 22.903 -17.660 4.520 370 HB2 LYS 47 2HB LYS 47 23.849 -17.400 2.222 371 HB3 LYS 47 3HB LYS 47 24.935 -18.219 3.335 372 HG2 LYS 47 2HG LYS 47 24.363 -20.384 2.338 373 HG3 LYS 47 3HG LYS 47 23.225 -19.599 1.244 374 HD2 LYS 47 2HD LYS 47 26.229 -19.115 1.298 375 HD3 LYS 47 3HD LYS 47 25.380 -20.139 0.139 376 HE2 LYS 47 2HE LYS 47 24.138 -18.177 -0.701 377 HE3 LYS 47 3HE LYS 47 24.961 -17.147 0.474 378 HZ1 LYS 47 3HZ LYS 47 25.955 -17.041 -1.745 379 HZ2 LYS 47 1HZ LYS 47 26.316 -18.687 -1.669 380 HZ3 LYS 47 2HZ LYS 47 27.054 -17.613 -0.594 381 H GLU 48 H GLU 48 21.443 -16.412 3.308 382 HA GLU 48 HA GLU 48 19.110 -17.901 2.225 383 HB2 GLU 48 2HB GLU 48 19.245 -15.285 3.766 384 HB3 GLU 48 3HB GLU 48 17.782 -15.879 2.980 385 HG2 GLU 48 2HG GLU 48 17.896 -17.942 4.376 386 HG3 GLU 48 3HG GLU 48 19.307 -17.292 5.184 387 H ILE 49 H ILE 49 18.980 -17.749 0.141 388 HA ILE 49 HA ILE 49 20.163 -15.509 -1.362 389 HB ILE 49 HB ILE 49 19.201 -18.217 -2.445 390 HG12 ILE 49 2HG1 ILE 49 21.771 -18.543 -2.875 391 HG13 ILE 49 3HG1 ILE 49 22.000 -17.276 -1.678 392 HG21 ILE 49 1HG2 ILE 49 20.728 -15.978 -3.843 393 HG22 ILE 49 2HG2 ILE 49 19.047 -16.435 -4.127 394 HG23 ILE 49 3HG2 ILE 49 20.345 -17.551 -4.549 395 HD11 ILE 49 3HD1 ILE 49 20.890 -18.657 0.002 396 HD12 ILE 49 1HD1 ILE 49 22.264 -19.495 -0.718 397 HD13 ILE 49 2HD1 ILE 49 20.622 -19.921 -1.202 398 H TRP 50 H TRP 50 18.526 -13.996 -1.084 399 HA TRP 50 HA TRP 50 15.765 -14.549 -1.841 400 HB2 TRP 50 2HB TRP 50 17.095 -11.858 -1.259 401 HB3 TRP 50 3HB TRP 50 15.370 -12.226 -1.230 402 HD1 TRP 50 HD1 TRP 50 18.467 -12.309 0.949 403 HE1 TRP 50 HE1 TRP 50 17.846 -13.086 3.314 404 HE3 TRP 50 HE3 TRP 50 13.725 -13.894 0.029 405 HZ2 TRP 50 HZ2 TRP 50 15.624 -14.182 4.634 406 HZ3 TRP 50 HZ3 TRP 50 12.432 -14.795 1.885 407 HH2 TRP 50 HH2 TRP 50 13.334 -14.947 4.144 408 H ASP 51 H ASP 51 14.863 -13.935 -3.838 409 HA ASP 51 HA ASP 51 16.615 -13.473 -6.042 410 HB2 ASP 51 2HB ASP 51 14.342 -14.637 -6.168 411 HB3 ASP 51 3HB ASP 51 13.585 -13.057 -6.019 412 H SER 52 H SER 52 17.644 -11.581 -6.313 413 HA SER 52 HA SER 52 16.832 -9.140 -5.012 414 HB2 SER 52 2HB SER 52 19.210 -9.870 -5.100 415 HB3 SER 52 3HB SER 52 19.204 -9.670 -6.852 416 HG SER 52 HG SER 52 18.443 -7.525 -5.204 417 H LYS 53 H LYS 53 15.999 -10.508 -7.958 418 HA LYS 53 HA LYS 53 15.458 -7.907 -9.273 419 HB2 LYS 53 2HB LYS 53 15.035 -10.741 -10.334 420 HB3 LYS 53 3HB LYS 53 14.920 -9.250 -11.262 421 HG2 LYS 53 2HG LYS 53 17.313 -8.898 -11.109 422 HG3 LYS 53 3HG LYS 53 17.486 -10.246 -9.987 423 HD2 LYS 53 2HD LYS 53 16.405 -10.654 -12.799 424 HD3 LYS 53 3HD LYS 53 18.137 -10.648 -12.471 425 HE2 LYS 53 2HE LYS 53 17.253 -12.944 -12.544 426 HE3 LYS 53 3HE LYS 53 17.879 -12.562 -10.945 427 HZ1 LYS 53 3HZ LYS 53 15.786 -13.778 -10.852 428 HZ2 LYS 53 1HZ LYS 53 15.002 -12.547 -11.708 429 HZ3 LYS 53 2HZ LYS 53 15.619 -12.250 -10.163 430 H TRP 54 H TRP 54 13.991 -9.951 -7.066 431 HA TRP 54 HA TRP 54 11.506 -10.564 -8.204 432 HB2 TRP 54 2HB TRP 54 12.486 -11.670 -6.145 433 HB3 TRP 54 3HB TRP 54 12.028 -10.253 -5.213 434 HD1 TRP 54 HD1 TRP 54 9.201 -9.751 -5.205 435 HE1 TRP 54 HE1 TRP 54 7.296 -11.469 -5.103 436 HE3 TRP 54 HE3 TRP 54 11.753 -13.921 -6.764 437 HZ2 TRP 54 HZ2 TRP 54 6.913 -14.213 -5.589 438 HZ3 TRP 54 HZ3 TRP 54 10.535 -16.055 -6.916 439 HH2 TRP 54 HH2 TRP 54 8.162 -16.198 -6.341 440 H SER 55 H SER 55 9.866 -9.315 -8.671 441 HA SER 55 HA SER 55 9.287 -6.851 -7.198 442 HB2 SER 55 2HB SER 55 8.925 -5.762 -9.509 443 HB3 SER 55 3HB SER 55 10.594 -6.032 -9.027 444 HG SER 55 HG SER 55 9.196 -7.930 -10.581 445 H LEU 56 H LEU 56 7.304 -7.195 -6.471 446 HA LEU 56 HA LEU 56 5.365 -8.728 -8.096 447 HB2 LEU 56 2HB LEU 56 5.704 -9.588 -5.804 448 HB3 LEU 56 3HB LEU 56 5.322 -8.006 -5.129 449 HG LEU 56 HG LEU 56 2.989 -8.217 -6.095 450 HD11 LEU 56 1HD1 LEU 56 2.178 -10.427 -6.820 451 HD12 LEU 56 2HD1 LEU 56 3.826 -11.056 -6.755 452 HD13 LEU 56 3HD1 LEU 56 3.408 -9.786 -7.907 453 HD21 LEU 56 3HD2 LEU 56 2.166 -9.809 -4.415 454 HD22 LEU 56 1HD2 LEU 56 3.401 -8.741 -3.754 455 HD23 LEU 56 2HD2 LEU 56 3.810 -10.407 -4.169 456 H THR 57 H THR 57 3.633 -7.686 -8.927 457 HA THR 57 HA THR 57 3.158 -4.841 -8.306 458 HB THR 57 HB THR 57 1.836 -6.541 -10.486 459 HG1 THR 57 HG1 THR 57 4.366 -6.014 -10.394 460 HG21 THR 57 3HG2 THR 57 0.676 -4.404 -9.965 461 HG22 THR 57 1HG2 THR 57 1.414 -4.348 -11.565 462 HG23 THR 57 2HG2 THR 57 2.188 -3.523 -10.212 463 H GLN 58 H GLN 58 1.152 -4.188 -7.436 464 HA GLN 58 HA GLN 58 -1.010 -6.113 -7.015 465 HB2 GLN 58 2HB GLN 58 0.614 -6.125 -4.967 466 HB3 GLN 58 3HB GLN 58 0.032 -4.499 -4.640 467 HG2 GLN 58 2HG GLN 58 -1.241 -5.911 -3.247 468 HG3 GLN 58 3HG GLN 58 -2.319 -5.505 -4.580 469 HE21 GLN 58 1HE2 GLN 58 0.319 -7.904 -4.712 470 HE22 GLN 58 2HE2 GLN 58 -0.716 -9.269 -4.923 471 H THR 59 H THR 59 -2.902 -5.094 -7.327 472 HA THR 59 HA THR 59 -2.896 -2.385 -8.232 473 HB THR 59 HB THR 59 -5.358 -4.123 -7.767 474 HG1 THR 59 HG1 THR 59 -4.780 -4.400 -10.240 475 HG21 THR 59 3HG2 THR 59 -5.815 -1.758 -8.338 476 HG22 THR 59 1HG2 THR 59 -6.273 -2.817 -9.669 477 HG23 THR 59 2HG2 THR 59 -4.772 -1.892 -9.757 478 H PHE 60 H PHE 60 -2.579 -0.907 -6.648 479 HA PHE 60 HA PHE 60 -3.863 -0.843 -4.126 480 HB2 PHE 60 2HB PHE 60 -1.899 0.737 -5.387 481 HB3 PHE 60 3HB PHE 60 -3.244 1.852 -5.242 482 HD1 PHE 60 HD2 PHE 60 -4.445 1.710 -2.778 483 HD2 PHE 60 HD1 PHE 60 -0.363 0.762 -3.641 484 HE1 PHE 60 HE2 PHE 60 -3.847 2.075 -0.418 485 HE2 PHE 60 HE1 PHE 60 0.217 1.124 -1.290 486 HZ PHE 60 HZ PHE 60 -1.511 1.769 0.327 487 H GLU 61 H GLU 61 -5.985 -1.042 -4.079 488 HA GLU 61 HA GLU 61 -7.774 1.014 -4.928 489 HB2 GLU 61 2HB GLU 61 -9.148 -0.245 -6.501 490 HB3 GLU 61 3HB GLU 61 -7.492 -0.250 -7.096 491 HG2 GLU 61 2HG GLU 61 -7.161 -2.544 -6.454 492 HG3 GLU 61 3HG GLU 61 -8.666 -2.581 -5.537 493 H ALA 62 H ALA 62 -10.146 -0.367 -4.762 494 HA ALA 62 HA ALA 62 -11.671 -1.393 -3.473 495 HB1 ALA 62 3HB ALA 62 -10.301 -3.411 -3.820 496 HB2 ALA 62 1HB ALA 62 -11.058 -3.415 -2.225 497 HB3 ALA 62 2HB ALA 62 -9.347 -3.016 -2.390 498 H LEU 63 H LEU 63 -9.910 0.916 -2.529 499 HA LEU 63 HA LEU 63 -10.797 0.998 0.285 500 HB2 LEU 63 2HB LEU 63 -8.328 1.476 -0.443 501 HB3 LEU 63 3HB LEU 63 -8.947 2.977 -1.103 502 HG LEU 63 HG LEU 63 -7.923 3.342 1.101 503 HD11 LEU 63 1HD1 LEU 63 -9.778 4.823 0.522 504 HD12 LEU 63 2HD1 LEU 63 -9.697 4.549 2.259 505 HD13 LEU 63 3HD1 LEU 63 -10.924 3.725 1.292 506 HD21 LEU 63 3HD2 LEU 63 -8.283 1.098 2.053 507 HD22 LEU 63 1HD2 LEU 63 -9.999 1.451 2.255 508 HD23 LEU 63 2HD2 LEU 63 -8.790 2.368 3.160 509 HA PRO 64 HA PRO 64 -14.127 3.245 -1.949 510 HB2 PRO 64 2HB PRO 64 -15.923 3.313 0.106 511 HB3 PRO 64 3HB PRO 64 -15.605 1.828 -0.812 512 HG2 PRO 64 2HG PRO 64 -14.455 2.681 1.834 513 HG3 PRO 64 3HG PRO 64 -15.175 1.117 1.378 514 HD2 PRO 64 2HD PRO 64 -12.500 1.462 1.399 515 HD3 PRO 64 3HD PRO 64 -13.289 0.446 0.165 516 H SER 65 H SER 65 -15.762 5.039 -0.839 517 HA SER 65 HA SER 65 -14.574 6.996 0.877 518 HB2 SER 65 2HB SER 65 -13.363 7.514 -1.260 519 HB3 SER 65 3HB SER 65 -14.907 7.709 -2.084 520 HG SER 65 HG SER 65 -15.111 9.335 -0.102 521 HA PRO 66 HA PRO 66 -19.141 6.781 1.320 522 HB2 PRO 66 2HB PRO 66 -19.136 8.816 3.324 523 HB3 PRO 66 3HB PRO 66 -19.086 7.067 3.604 524 HG2 PRO 66 2HG PRO 66 -16.835 9.037 3.537 525 HG3 PRO 66 3HG PRO 66 -17.069 7.616 4.587 526 HD2 PRO 66 2HD PRO 66 -15.346 7.520 2.554 527 HD3 PRO 66 3HD PRO 66 -16.368 6.110 2.923 528 H VAL 67 H VAL 67 -20.404 7.744 -0.130 529 HA VAL 67 HA VAL 67 -19.796 10.269 -1.366 530 HB VAL 67 HB VAL 67 -22.319 8.555 -1.617 531 HG11 VAL 67 1HG1 VAL 67 -22.685 10.864 -2.397 532 HG12 VAL 67 2HG1 VAL 67 -22.690 9.745 -3.758 533 HG13 VAL 67 3HG1 VAL 67 -21.273 10.752 -3.451 534 HG21 VAL 67 3HG2 VAL 67 -19.819 8.553 -3.361 535 HG22 VAL 67 1HG2 VAL 67 -21.283 7.611 -3.661 536 HG23 VAL 67 2HG2 VAL 67 -20.295 7.280 -2.239 537 H ILE 68 H ILE 68 -20.143 12.109 -0.272 538 HA ILE 68 HA ILE 68 -22.255 12.277 1.787 539 HB ILE 68 HB ILE 68 -19.808 14.069 1.334 540 HG12 ILE 68 2HG1 ILE 68 -20.235 11.804 3.348 541 HG13 ILE 68 3HG1 ILE 68 -19.095 11.806 2.012 542 HG21 ILE 68 1HG2 ILE 68 -21.723 13.963 3.698 543 HG22 ILE 68 2HG2 ILE 68 -21.657 15.240 2.483 544 HG23 ILE 68 3HG2 ILE 68 -20.292 14.990 3.567 545 HD11 ILE 68 3HD1 ILE 68 -17.950 12.150 4.081 546 HD12 ILE 68 1HD1 ILE 68 -18.974 13.529 4.479 547 HD13 ILE 68 2HD1 ILE 68 -17.850 13.624 3.120 548 H ILE 69 H ILE 69 -23.912 13.748 1.570 549 HA ILE 69 HA ILE 69 -24.537 14.805 -1.002 550 HB ILE 69 HB ILE 69 -25.877 15.381 1.687 551 HG12 ILE 69 2HG1 ILE 69 -25.907 12.958 1.170 552 HG13 ILE 69 3HG1 ILE 69 -27.526 13.633 1.063 553 HG21 ILE 69 1HG2 ILE 69 -26.964 15.794 -1.124 554 HG22 ILE 69 2HG2 ILE 69 -26.491 17.069 0.000 555 HG23 ILE 69 3HG2 ILE 69 -27.869 16.034 0.373 556 HD11 ILE 69 3HD1 ILE 69 -25.723 12.921 -1.248 557 HD12 ILE 69 1HD1 ILE 69 -27.314 13.674 -1.397 558 HD13 ILE 69 2HD1 ILE 69 -27.163 12.058 -0.713 559 H GLY 70 H GLY 70 -24.345 16.843 -1.794 560 HA2 GLY 70 2HA GLY 70 -23.583 18.959 -2.090 561 HA3 GLY 70 3HA GLY 70 -23.752 19.204 -0.355 562 H TYR 71 H TYR 71 -21.735 16.603 -1.449 563 HA TYR 71 HA TYR 71 -19.296 18.212 -1.210 564 HB2 TYR 71 2HB TYR 71 -19.985 15.835 0.553 565 HB3 TYR 71 3HB TYR 71 -18.313 16.305 0.260 566 HD1 TYR 71 HD1 TYR 71 -17.466 18.496 1.066 567 HD2 TYR 71 HD2 TYR 71 -21.402 17.187 2.056 568 HE1 TYR 71 HE1 TYR 71 -17.593 20.207 2.809 569 HE2 TYR 71 HE2 TYR 71 -21.522 18.902 3.820 570 HH TYR 71 HH TYR 71 -19.357 21.467 4.033 571 H THR 72 H THR 72 -17.498 17.357 -2.109 572 HA THR 72 HA THR 72 -17.661 14.948 -3.792 573 HB THR 72 HB THR 72 -16.715 17.735 -4.681 574 HG1 THR 72 HG1 THR 72 -19.029 16.227 -5.120 575 HG21 THR 72 3HG2 THR 72 -16.683 15.130 -6.259 576 HG22 THR 72 1HG2 THR 72 -15.261 15.979 -5.658 577 HG23 THR 72 2HG2 THR 72 -16.279 16.727 -6.891 578 H ALA 73 H ALA 73 -15.989 13.695 -3.118 579 HA ALA 73 HA ALA 73 -13.847 14.562 -1.455 580 HB1 ALA 73 3HB ALA 73 -14.697 12.239 -1.448 581 HB2 ALA 73 1HB ALA 73 -12.961 12.285 -1.755 582 HB3 ALA 73 2HB ALA 73 -14.086 12.002 -3.085 583 H ASP 74 H ASP 74 -11.604 14.778 -1.955 584 HA ASP 74 HA ASP 74 -10.936 15.927 -4.492 585 HB2 ASP 74 2HB ASP 74 -9.825 16.551 -2.325 586 HB3 ASP 74 3HB ASP 74 -9.061 14.965 -2.276 587 H LYS 75 H LYS 75 -10.344 12.850 -2.906 588 HA LYS 75 HA LYS 75 -10.121 11.548 -5.513 589 HB2 LYS 75 2HB LYS 75 -8.505 9.857 -4.585 590 HB3 LYS 75 3HB LYS 75 -7.833 11.452 -4.833 591 HG2 LYS 75 2HG LYS 75 -8.759 10.568 -2.091 592 HG3 LYS 75 3HG LYS 75 -7.166 10.125 -2.694 593 HD2 LYS 75 2HD LYS 75 -8.186 12.981 -2.373 594 HD3 LYS 75 3HD LYS 75 -7.119 12.149 -1.237 595 HE2 LYS 75 2HE LYS 75 -6.458 12.756 -4.137 596 HE3 LYS 75 3HE LYS 75 -5.879 13.668 -2.751 597 HZ1 LYS 75 3HZ LYS 75 -4.252 12.087 -3.574 598 HZ2 LYS 75 1HZ LYS 75 -5.307 10.812 -3.264 599 HZ3 LYS 75 2HZ LYS 75 -4.707 11.731 -1.984 600 HA PRO 76 HA PRO 76 -13.556 9.464 -3.282 601 HB2 PRO 76 2HB PRO 76 -14.990 8.824 -5.502 602 HB3 PRO 76 3HB PRO 76 -15.004 10.472 -4.836 603 HG2 PRO 76 2HG PRO 76 -13.386 9.387 -7.121 604 HG3 PRO 76 3HG PRO 76 -14.332 10.892 -7.040 605 HD2 PRO 76 2HD PRO 76 -11.641 10.857 -6.663 606 HD3 PRO 76 3HD PRO 76 -12.696 12.011 -5.814 607 H MET 77 H MET 77 -11.041 8.455 -5.300 608 HA MET 77 HA MET 77 -11.282 5.719 -4.288 609 HB2 MET 77 2HB MET 77 -12.184 5.707 -6.628 610 HB3 MET 77 3HB MET 77 -10.655 6.350 -7.210 611 HG2 MET 77 2HG MET 77 -9.503 4.322 -6.511 612 HG3 MET 77 3HG MET 77 -10.999 3.677 -5.821 613 HE1 MET 77 3HE MET 77 -10.494 1.442 -7.274 614 HE2 MET 77 1HE MET 77 -9.095 2.163 -8.060 615 HE3 MET 77 2HE MET 77 -10.373 1.437 -9.034 616 H VAL 78 H VAL 78 -9.466 5.371 -3.211 617 HA VAL 78 HA VAL 78 -7.342 7.322 -3.298 618 HB VAL 78 HB VAL 78 -7.841 4.927 -1.468 619 HG11 VAL 78 1HG1 VAL 78 -6.056 5.862 -0.006 620 HG12 VAL 78 2HG1 VAL 78 -5.684 7.065 -1.243 621 HG13 VAL 78 3HG1 VAL 78 -5.423 5.353 -1.572 622 HG21 VAL 78 3HG2 VAL 78 -8.464 6.647 0.196 623 HG22 VAL 78 1HG2 VAL 78 -9.473 6.781 -1.246 624 HG23 VAL 78 2HG2 VAL 78 -8.150 7.920 -0.985 625 H GLY 79 H GLY 79 -5.881 7.129 -4.814 626 HA2 GLY 79 2HA GLY 79 -4.054 6.448 -5.969 627 HA3 GLY 79 3HA GLY 79 -3.804 5.268 -4.694 628 HA PRO 80 HA PRO 80 -6.449 2.852 -7.862 629 HB2 PRO 80 2HB PRO 80 -7.176 4.516 -10.179 630 HB3 PRO 80 3HB PRO 80 -8.243 3.782 -8.967 631 HG2 PRO 80 2HG PRO 80 -7.876 6.483 -9.174 632 HG3 PRO 80 3HG PRO 80 -8.305 5.665 -7.656 633 HD2 PRO 80 2HD PRO 80 -5.585 6.605 -8.583 634 HD3 PRO 80 3HD PRO 80 -6.359 6.758 -6.982 635 H ASP 81 H ASP 81 -4.236 2.057 -8.062 636 HA ASP 81 HA ASP 81 -3.157 2.037 -10.739 637 HB2 ASP 81 2HB ASP 81 -2.207 4.164 -10.144 638 HB3 ASP 81 3HB ASP 81 -1.738 3.608 -8.548 639 H GLU 82 H GLU 82 -2.025 0.283 -11.091 640 HA GLU 82 HA GLU 82 -1.631 -1.775 -9.109 641 HB2 GLU 82 2HB GLU 82 -0.693 -1.666 -12.011 642 HB3 GLU 82 3HB GLU 82 -0.697 -3.098 -10.982 643 HG2 GLU 82 2HG GLU 82 -3.150 -2.972 -10.820 644 HG3 GLU 82 3HG GLU 82 -3.138 -1.558 -11.872 645 H VAL 83 H VAL 83 -0.167 -0.967 -7.600 646 HA VAL 83 HA VAL 83 2.332 0.258 -8.418 647 HB VAL 83 HB VAL 83 1.530 -0.489 -5.561 648 HG11 VAL 83 1HG1 VAL 83 3.477 1.569 -6.687 649 HG12 VAL 83 2HG1 VAL 83 3.896 0.070 -5.853 650 HG13 VAL 83 3HG1 VAL 83 3.085 1.365 -4.976 651 HG21 VAL 83 3HG2 VAL 83 0.627 1.794 -5.326 652 HG22 VAL 83 1HG2 VAL 83 -0.258 0.886 -6.552 653 HG23 VAL 83 2HG2 VAL 83 0.922 2.103 -7.040 654 H THR 84 H THR 84 4.209 -0.788 -8.693 655 HA THR 84 HA THR 84 4.486 -3.616 -7.908 656 HB THR 84 HB THR 84 6.311 -1.960 -9.724 657 HG1 THR 84 HG1 THR 84 4.027 -2.257 -10.431 658 HG21 THR 84 3HG2 THR 84 7.052 -4.164 -10.569 659 HG22 THR 84 1HG2 THR 84 5.980 -4.978 -9.415 660 HG23 THR 84 2HG2 THR 84 7.353 -4.034 -8.840 661 H VAL 85 H VAL 85 5.439 -3.901 -5.934 662 HA VAL 85 HA VAL 85 7.698 -2.193 -5.089 663 HB VAL 85 HB VAL 85 6.131 -4.333 -3.562 664 HG11 VAL 85 1HG1 VAL 85 8.468 -2.653 -2.572 665 HG12 VAL 85 2HG1 VAL 85 8.475 -4.399 -2.827 666 HG13 VAL 85 3HG1 VAL 85 7.455 -3.700 -1.572 667 HG21 VAL 85 3HG2 VAL 85 4.942 -2.203 -3.867 668 HG22 VAL 85 1HG2 VAL 85 6.310 -1.322 -3.186 669 HG23 VAL 85 2HG2 VAL 85 5.382 -2.437 -2.176 670 H ASP 86 H ASP 86 9.618 -2.796 -5.666 671 HA ASP 86 HA ASP 86 10.231 -5.606 -6.375 672 HB2 ASP 86 2HB ASP 86 12.033 -4.732 -7.777 673 HB3 ASP 86 3HB ASP 86 10.526 -3.931 -8.203 674 H SER 87 H SER 87 12.669 -6.026 -6.080 675 HA SER 87 HA SER 87 13.019 -6.406 -3.350 676 HB2 SER 87 2HB SER 87 13.963 -7.860 -5.146 677 HB3 SER 87 3HB SER 87 15.165 -6.616 -5.497 678 HG SER 87 HG SER 87 16.020 -6.897 -3.453 679 H LYS 88 H LYS 88 14.168 -3.778 -5.369 680 HA LYS 88 HA LYS 88 16.301 -2.873 -3.671 681 HB2 LYS 88 2HB LYS 88 14.779 -1.370 -5.840 682 HB3 LYS 88 3HB LYS 88 16.292 -0.841 -5.107 683 HG2 LYS 88 2HG LYS 88 17.501 -2.694 -6.085 684 HG3 LYS 88 3HG LYS 88 16.003 -3.432 -6.666 685 HD2 LYS 88 2HD LYS 88 15.625 -1.507 -8.167 686 HD3 LYS 88 3HD LYS 88 17.117 -0.750 -7.595 687 HE2 LYS 88 2HE LYS 88 16.931 -3.400 -9.071 688 HE3 LYS 88 3HE LYS 88 17.397 -1.858 -9.785 689 HZ1 LYS 88 3HZ LYS 88 19.307 -1.796 -8.309 690 HZ2 LYS 88 1HZ LYS 88 19.319 -3.198 -9.260 691 HZ3 LYS 88 2HZ LYS 88 18.861 -3.278 -7.635 692 H ASN 89 H ASN 89 12.844 -2.016 -4.007 693 HA ASN 89 HA ASN 89 13.070 -0.158 -1.704 694 HB2 ASN 89 2HB ASN 89 10.933 0.847 -2.477 695 HB3 ASN 89 3HB ASN 89 12.180 0.931 -3.711 696 HD21 ASN 89 1HD2 ASN 89 10.522 1.263 -5.262 697 HD22 ASN 89 2HD2 ASN 89 9.566 -0.044 -5.853 698 H PHE 90 H PHE 90 12.657 -3.254 -1.905 699 HA PHE 90 HA PHE 90 10.001 -3.835 -1.184 700 HB2 PHE 90 2HB PHE 90 11.589 -5.501 -2.204 701 HB3 PHE 90 3HB PHE 90 12.424 -5.618 -0.656 702 HD1 PHE 90 HD2 PHE 90 9.296 -6.389 -2.484 703 HD2 PHE 90 HD1 PHE 90 11.382 -6.805 1.233 704 HE1 PHE 90 HE2 PHE 90 7.639 -8.040 -1.723 705 HE2 PHE 90 HE1 PHE 90 9.708 -8.435 1.981 706 HZ PHE 90 HZ PHE 90 7.846 -9.058 0.505 707 H LEU 91 H LEU 91 12.920 -3.469 0.770 708 HA LEU 91 HA LEU 91 11.686 -4.351 3.203 709 HB2 LEU 91 2HB LEU 91 14.368 -3.012 2.679 710 HB3 LEU 91 3HB LEU 91 13.843 -3.534 4.269 711 HG LEU 91 HG LEU 91 15.330 -5.227 3.449 712 HD11 LEU 91 1HD1 LEU 91 12.507 -6.297 3.112 713 HD12 LEU 91 2HD1 LEU 91 13.368 -6.100 4.638 714 HD13 LEU 91 3HD1 LEU 91 13.954 -7.255 3.446 715 HD21 LEU 91 3HD2 LEU 91 15.281 -4.695 1.034 716 HD22 LEU 91 1HD2 LEU 91 13.691 -5.452 0.894 717 HD23 LEU 91 2HD2 LEU 91 15.102 -6.423 1.324 718 H ASP 92 H ASP 92 12.038 -1.299 1.587 719 HA ASP 92 HA ASP 92 11.059 0.266 3.874 720 HB2 ASP 92 2HB ASP 92 11.724 1.061 0.996 721 HB3 ASP 92 3HB ASP 92 11.091 2.177 2.206 722 H LYS 93 H LYS 93 8.960 0.861 4.154 723 HA LYS 93 HA LYS 93 6.791 0.250 2.433 724 HB2 LYS 93 2HB LYS 93 5.454 1.664 3.845 725 HB3 LYS 93 3HB LYS 93 6.651 0.973 4.920 726 HG2 LYS 93 2HG LYS 93 7.151 3.698 3.738 727 HG3 LYS 93 3HG LYS 93 6.016 3.542 5.062 728 HD2 LYS 93 2HD LYS 93 7.968 4.073 6.218 729 HD3 LYS 93 3HD LYS 93 8.048 2.315 6.258 730 HE2 LYS 93 2HE LYS 93 10.240 3.395 5.709 731 HE3 LYS 93 3HE LYS 93 9.675 2.297 4.448 732 HZ1 LYS 93 3HZ LYS 93 8.839 4.259 3.247 733 HZ2 LYS 93 1HZ LYS 93 10.514 4.281 3.469 734 HZ3 LYS 93 2HZ LYS 93 9.521 5.248 4.427 735 H GLN 94 H GLN 94 5.532 1.928 1.250 736 HA GLN 94 HA GLN 94 7.208 4.094 0.103 737 HB2 GLN 94 2HB GLN 94 6.224 3.656 -2.096 738 HB3 GLN 94 3HB GLN 94 7.019 2.206 -1.483 739 HG2 GLN 94 2HG GLN 94 4.763 1.379 -0.737 740 HG3 GLN 94 3HG GLN 94 4.044 2.767 -1.541 741 HE21 GLN 94 1HE2 GLN 94 6.080 2.504 -3.777 742 HE22 GLN 94 2HE2 GLN 94 5.495 1.183 -4.714 743 H ASN 95 H ASN 95 3.956 2.941 0.896 744 HA ASN 95 HA ASN 95 2.941 5.728 0.978 745 HB2 ASN 95 2HB ASN 95 1.389 3.125 0.589 746 HB3 ASN 95 3HB ASN 95 0.663 4.722 0.728 747 HD21 ASN 95 1HD2 ASN 95 -0.293 4.048 -1.349 748 HD22 ASN 95 2HD2 ASN 95 0.598 4.312 -2.806 749 H ARG 96 H ARG 96 1.789 6.306 2.836 750 HA ARG 96 HA ARG 96 2.125 4.615 5.239 751 HB2 ARG 96 2HB ARG 96 3.065 7.496 4.869 752 HB3 ARG 96 3HB ARG 96 2.941 6.713 6.443 753 HG2 ARG 96 2HG ARG 96 4.663 5.119 5.862 754 HG3 ARG 96 3HG ARG 96 4.690 5.690 4.191 755 HD2 ARG 96 2HD ARG 96 6.600 6.536 5.499 756 HD3 ARG 96 3HD ARG 96 5.589 7.847 4.895 757 HE ARG 96 HE ARG 96 4.615 7.472 7.380 758 HH11 ARG 96 1HH1 ARG 96 7.921 7.945 6.245 759 HH12 ARG 96 2HH1 ARG 96 8.434 8.721 7.713 760 HH21 ARG 96 2HH2 ARG 96 5.296 8.531 9.255 761 HH22 ARG 96 1HH2 ARG 96 6.946 9.053 9.415 762 H GLU 97 H GLU 97 0.856 7.695 3.972 763 HA GLU 97 HA GLU 97 -1.694 7.268 5.373 764 HB2 GLU 97 2HB GLU 97 -0.245 8.557 6.930 765 HB3 GLU 97 3HB GLU 97 -0.005 9.790 5.698 766 HG2 GLU 97 2HG GLU 97 -2.403 10.361 5.775 767 HG3 GLU 97 3HG GLU 97 -2.677 9.084 6.959 768 H GLU 98 H GLU 98 -3.426 8.233 4.443 769 HA GLU 98 HA GLU 98 -3.100 10.080 2.155 770 HB2 GLU 98 2HB GLU 98 -4.018 7.894 1.447 771 HB3 GLU 98 3HB GLU 98 -5.271 7.989 2.669 772 HG2 GLU 98 2HG GLU 98 -6.198 8.464 0.477 773 HG3 GLU 98 3HG GLU 98 -6.275 9.909 1.485 774 H THR 99 H THR 99 -4.624 11.746 2.073 775 HA THR 99 HA THR 99 -6.600 12.061 4.233 776 HB THR 99 HB THR 99 -4.828 14.388 3.306 777 HG1 THR 99 HG1 THR 99 -3.715 12.717 4.577 778 HG21 THR 99 3HG2 THR 99 -7.072 15.030 4.196 779 HG22 THR 99 1HG2 THR 99 -5.773 15.564 5.257 780 HG23 THR 99 2HG2 THR 99 -6.726 14.142 5.684 781 H VAL 100 H VAL 100 -8.347 11.664 2.820 782 HA VAL 100 HA VAL 100 -8.519 13.094 0.283 783 HB VAL 100 HB VAL 100 -10.514 11.951 -0.208 784 HG11 VAL 100 1HG1 VAL 100 -10.111 9.564 0.236 785 HG12 VAL 100 2HG1 VAL 100 -8.957 9.984 1.505 786 HG13 VAL 100 3HG1 VAL 100 -8.614 10.405 -0.172 787 HG21 VAL 100 3HG2 VAL 100 -11.830 12.466 1.786 788 HG22 VAL 100 1HG2 VAL 100 -10.918 11.285 2.727 789 HG23 VAL 100 2HG2 VAL 100 -11.956 10.751 1.402 790 H ILE 101 H ILE 101 -9.830 14.881 -0.106 791 HA ILE 101 HA ILE 101 -11.021 16.201 2.278 792 HB ILE 101 HB ILE 101 -9.529 17.459 -0.060 793 HG12 ILE 101 2HG1 ILE 101 -8.082 16.637 1.756 794 HG13 ILE 101 3HG1 ILE 101 -8.080 18.396 1.761 795 HG21 ILE 101 1HG2 ILE 101 -11.147 18.920 2.060 796 HG22 ILE 101 2HG2 ILE 101 -11.502 18.858 0.333 797 HG23 ILE 101 3HG2 ILE 101 -10.054 19.686 0.906 798 HD11 ILE 101 3HD1 ILE 101 -9.651 16.624 3.646 799 HD12 ILE 101 1HD1 ILE 101 -9.637 18.389 3.663 800 HD13 ILE 101 2HD1 ILE 101 -8.165 17.490 4.026 801 H TYR 102 H TYR 102 -13.111 15.950 2.173 802 HA TYR 102 HA TYR 102 -14.702 16.091 -0.215 803 HB2 TYR 102 2HB TYR 102 -15.513 16.136 2.733 804 HB3 TYR 102 3HB TYR 102 -16.631 16.012 1.375 805 HD1 TYR 102 HD2 TYR 102 -16.646 13.929 -0.037 806 HD2 TYR 102 HD1 TYR 102 -14.343 14.173 3.555 807 HE1 TYR 102 HE2 TYR 102 -16.463 11.483 0.027 808 HE2 TYR 102 HE1 TYR 102 -14.170 11.723 3.611 809 HH TYR 102 HH TYR 102 -15.351 9.787 2.740 810 H SER 103 H SER 103 -14.709 18.061 -1.181 811 HA SER 103 HA SER 103 -15.038 20.516 0.433 812 HB2 SER 103 2HB SER 103 -14.429 20.241 -2.548 813 HB3 SER 103 3HB SER 103 -14.358 21.714 -1.573 814 HG SER 103 HG SER 103 -12.555 20.982 -0.582 815 H ALA 104 H ALA 104 -16.635 22.093 -0.778 816 HA ALA 104 HA ALA 104 -19.233 21.041 -0.909 817 HB1 ALA 104 3HB ALA 104 -18.746 23.445 -0.613 818 HB2 ALA 104 1HB ALA 104 -19.872 23.181 -1.947 819 HB3 ALA 104 2HB ALA 104 -18.173 23.539 -2.277 820 H ASN 105 H ASN 105 -20.611 20.524 -2.667 821 HA ASN 105 HA ASN 105 -19.361 18.774 -4.485 822 HB2 ASN 105 2HB ASN 105 -21.816 18.687 -3.569 823 HB3 ASN 105 3HB ASN 105 -22.209 19.742 -4.913 824 HD21 ASN 105 1HD2 ASN 105 -21.205 16.541 -4.011 825 HD22 ASN 105 2HD2 ASN 105 -21.488 15.812 -5.549 826 H THR 106 H THR 106 -19.274 18.793 -6.695 827 HA THR 106 HA THR 106 -18.400 21.059 -8.069 828 HB THR 106 HB THR 106 -17.778 18.776 -8.703 829 HG1 THR 106 HG1 THR 106 -18.147 20.541 -10.383 830 HG21 THR 106 3HG2 THR 106 -19.966 17.696 -8.114 831 HG22 THR 106 1HG2 THR 106 -19.329 17.170 -9.680 832 HG23 THR 106 2HG2 THR 106 -20.650 18.342 -9.611 833 H ILE 107 H ILE 107 -21.670 20.105 -7.417 834 HA ILE 107 HA ILE 107 -23.167 21.424 -9.374 835 HB ILE 107 HB ILE 107 -23.675 21.188 -6.365 836 HG12 ILE 107 2HG1 ILE 107 -24.893 19.519 -8.621 837 HG13 ILE 107 3HG1 ILE 107 -23.459 19.027 -7.728 838 HG21 ILE 107 1HG2 ILE 107 -26.073 21.655 -6.858 839 HG22 ILE 107 2HG2 ILE 107 -25.656 21.966 -8.545 840 HG23 ILE 107 3HG2 ILE 107 -25.037 23.023 -7.278 841 HD11 ILE 107 3HD1 ILE 107 -25.430 17.922 -6.888 842 HD12 ILE 107 1HD1 ILE 107 -26.195 19.477 -6.552 843 HD13 ILE 107 2HD1 ILE 107 -24.747 18.991 -5.663 844 H THR 108 H THR 108 -21.827 22.752 -6.294 845 HA THR 108 HA THR 108 -22.395 25.502 -7.197 846 HB THR 108 HB THR 108 -23.184 24.787 -4.939 847 HG1 THR 108 HG1 THR 108 -21.160 26.786 -4.710 848 HG21 THR 108 3HG2 THR 108 -21.612 24.498 -3.086 849 HG22 THR 108 1HG2 THR 108 -20.239 24.648 -4.196 850 HG23 THR 108 2HG2 THR 108 -21.332 23.271 -4.318 851 H GLN 109 H GLN 109 -19.884 23.363 -7.482 852 HA GLN 109 HA GLN 109 -17.758 25.426 -7.193 853 HB2 GLN 109 2HB GLN 109 -17.558 22.390 -6.943 854 HB3 GLN 109 3HB GLN 109 -16.180 23.487 -6.904 855 HG2 GLN 109 2HG GLN 109 -18.458 23.401 -4.921 856 HG3 GLN 109 3HG GLN 109 -16.822 22.802 -4.654 857 HE21 GLN 109 1HE2 GLN 109 -15.521 25.061 -5.944 858 HE22 GLN 109 2HE2 GLN 109 -15.695 26.412 -4.885 859 H ASN 110 H ASN 110 -16.486 25.863 -8.890 860 HA ASN 110 HA ASN 110 -16.870 24.688 -11.481 861 HB2 ASN 110 2HB ASN 110 -14.800 26.136 -12.076 862 HB3 ASN 110 3HB ASN 110 -16.258 26.972 -11.578 863 HD21 ASN 110 1HD2 ASN 110 -14.211 25.484 -9.116 864 HD22 ASN 110 2HD2 ASN 110 -13.556 26.967 -8.527 865 H LYS 111 H LYS 111 -15.199 23.535 -12.684 866 HA LYS 111 HA LYS 111 -14.122 21.345 -11.242 867 HB2 LYS 111 2HB LYS 111 -13.638 22.182 -14.119 868 HB3 LYS 111 3HB LYS 111 -13.118 20.654 -13.420 869 HG2 LYS 111 2HG LYS 111 -16.001 21.562 -13.667 870 HG3 LYS 111 3HG LYS 111 -15.187 20.441 -14.760 871 HD2 LYS 111 2HD LYS 111 -14.810 18.893 -12.807 872 HD3 LYS 111 3HD LYS 111 -15.751 19.998 -11.802 873 HE2 LYS 111 2HE LYS 111 -17.713 19.646 -13.303 874 HE3 LYS 111 3HE LYS 111 -16.764 18.482 -14.232 875 HZ1 LYS 111 3HZ LYS 111 -17.661 18.258 -11.421 876 HZ2 LYS 111 1HZ LYS 111 -16.499 17.231 -12.088 877 HZ3 LYS 111 2HZ LYS 111 -18.066 17.262 -12.719 878 H LYS 112 H LYS 112 -12.731 22.080 -9.752 879 HA LYS 112 HA LYS 112 -10.420 23.715 -10.214 880 HB2 LYS 112 2HB LYS 112 -9.765 22.957 -7.906 881 HB3 LYS 112 3HB LYS 112 -11.366 23.690 -7.991 882 HG2 LYS 112 2HG LYS 112 -12.399 21.444 -7.947 883 HG3 LYS 112 3HG LYS 112 -10.793 20.703 -7.891 884 HD2 LYS 112 2HD LYS 112 -10.350 21.801 -5.723 885 HD3 LYS 112 3HD LYS 112 -11.939 22.571 -5.783 886 HE2 LYS 112 2HE LYS 112 -13.011 20.334 -5.707 887 HE3 LYS 112 3HE LYS 112 -11.412 19.583 -5.616 888 HZ1 LYS 112 3HZ LYS 112 -12.447 19.836 -3.439 889 HZ2 LYS 112 1HZ LYS 112 -12.503 21.512 -3.637 890 HZ3 LYS 112 2HZ LYS 112 -11.014 20.719 -3.534 891 H ASP 113 H ASP 113 -11.087 20.293 -10.061 892 HA ASP 113 HA ASP 113 -8.412 19.647 -11.128 893 HB2 ASP 113 2HB ASP 113 -8.978 18.461 -9.057 894 HB3 ASP 113 3HB ASP 113 -10.463 17.848 -9.770 895 H GLY 114 H GLY 114 -8.316 19.170 -13.139 896 HA2 GLY 114 2HA GLY 114 -10.185 17.732 -14.731 897 HA3 GLY 114 3HA GLY 114 -10.315 19.469 -15.038 898 H LEU 115 H LEU 115 -7.429 17.723 -14.109 899 HA LEU 115 HA LEU 115 -5.937 18.661 -16.451 900 HB2 LEU 115 2HB LEU 115 -5.026 17.203 -13.929 901 HB3 LEU 115 3HB LEU 115 -3.968 17.933 -15.130 902 HG LEU 115 HG LEU 115 -5.913 19.491 -13.372 903 HD11 LEU 115 1HD1 LEU 115 -3.942 20.241 -12.125 904 HD12 LEU 115 2HD1 LEU 115 -2.910 19.181 -13.090 905 HD13 LEU 115 3HD1 LEU 115 -4.142 18.492 -12.029 906 HD21 LEU 115 3HD2 LEU 115 -4.710 21.498 -14.172 907 HD22 LEU 115 1HD2 LEU 115 -5.481 20.629 -15.499 908 HD23 LEU 115 2HD2 LEU 115 -3.740 20.491 -15.250 909 H GLU 116 H GLU 116 -7.818 16.110 -15.773 910 HA GLU 116 HA GLU 116 -8.205 14.049 -16.555 911 HB2 GLU 116 2HB GLU 116 -7.667 14.924 -18.806 912 HB3 GLU 116 3HB GLU 116 -5.948 14.656 -18.526 913 HG2 GLU 116 2HG GLU 116 -6.358 12.209 -18.390 914 HG3 GLU 116 3HG GLU 116 -8.073 12.485 -18.713 915 H HIS 117 H HIS 117 -7.766 12.702 -14.929 916 HA HIS 117 HA HIS 117 -5.403 12.398 -13.494 917 HB2 HIS 117 2HB HIS 117 -7.779 10.521 -13.776 918 HB3 HIS 117 3HB HIS 117 -6.446 10.190 -12.676 919 HD1 HIS 117 HD1 HIS 117 -6.447 11.379 -10.465 920 HD2 HIS 117 HD2 HIS 117 -9.344 12.839 -13.054 921 HE1 HIS 117 HE1 HIS 117 -7.867 12.909 -9.090 922 HE2 HIS 117 HE2 HIS 117 -9.542 13.859 -10.691 923 H HIS 118 H HIS 118 -3.529 11.812 -14.293 924 HA HIS 118 HA HIS 118 -3.177 10.183 -16.629 925 HB2 HIS 118 2HB HIS 118 -1.174 11.349 -14.649 926 HB3 HIS 118 3HB HIS 118 -0.711 10.498 -16.122 927 HD1 HIS 118 HD1 HIS 118 -0.777 13.783 -15.070 928 HD2 HIS 118 HD2 HIS 118 -2.456 11.903 -18.361 929 HE1 HIS 118 HE1 HIS 118 -1.165 15.599 -16.757 930 HE2 HIS 118 HE2 HIS 118 -2.326 14.452 -18.664 931 H HIS 119 H HIS 119 -3.372 8.075 -16.611 932 HA HIS 119 HA HIS 119 -2.359 6.450 -14.357 933 HB2 HIS 119 2HB HIS 119 -4.153 4.816 -14.804 934 HB3 HIS 119 3HB HIS 119 -4.828 6.394 -14.420 935 HD1 HIS 119 HD1 HIS 119 -4.651 3.857 -17.127 936 HD2 HIS 119 HD2 HIS 119 -6.143 7.693 -16.580 937 HE1 HIS 119 HE1 HIS 119 -6.187 4.261 -19.056 938 HE2 HIS 119 HE2 HIS 119 -6.903 6.649 -18.823 939 H HIS 120 H HIS 120 -2.087 4.085 -15.174 940 HA HIS 120 HA HIS 120 -0.046 4.179 -17.216 941 HB2 HIS 120 2HB HIS 120 -1.100 1.892 -15.484 942 HB3 HIS 120 3HB HIS 120 0.164 1.677 -16.695 943 HD1 HIS 120 HD1 HIS 120 2.075 1.152 -15.115 944 HD2 HIS 120 HD2 HIS 120 0.156 4.714 -14.169 945 HE1 HIS 120 HE1 HIS 120 3.489 2.242 -13.350 946 HE2 HIS 120 HE2 HIS 120 2.382 4.448 -12.912 947 H HIS 121 H HIS 121 -0.390 3.855 -19.313 948 HA HIS 121 HA HIS 121 -2.837 2.723 -20.403 949 HB2 HIS 121 2HB HIS 121 -1.722 4.614 -21.533 950 HB3 HIS 121 3HB HIS 121 -0.247 3.672 -21.733 951 HD1 HIS 121 HD1 HIS 121 -0.126 2.152 -23.761 952 HD2 HIS 121 HD2 HIS 121 -3.895 3.811 -23.222 953 HE1 HIS 121 HE1 HIS 121 -1.376 1.671 -25.872 954 HE2 HIS 121 HE2 HIS 121 -3.690 2.554 -25.473 955 H HIS 122 H HIS 122 0.528 1.856 -19.923 956 HA HIS 122 HA HIS 122 1.840 0.091 -20.254 957 HB2 HIS 122 2HB HIS 122 0.224 -1.150 -18.848 958 HB3 HIS 122 3HB HIS 122 -0.759 -1.517 -20.257 959 HD1 HIS 122 HD1 HIS 122 -0.042 -3.496 -21.707 960 HD2 HIS 122 HD2 HIS 122 2.679 -2.614 -18.697 961 HE1 HIS 122 HE1 HIS 122 1.576 -5.412 -21.675 962 HE2 HIS 122 HE2 HIS 122 3.053 -4.962 -19.705 Start of MODEL 2 1 H1 MET 1 1H MET 1 20.943 -28.806 0.537 2 H2 MET 1 2H MET 1 21.027 -30.236 1.431 3 H3 MET 1 3H MET 1 20.908 -28.745 2.220 4 HA MET 1 HA MET 1 18.841 -29.813 0.403 5 HB2 MET 1 2HB MET 1 19.021 -31.254 2.416 6 HB3 MET 1 3HB MET 1 18.887 -29.848 3.462 7 HG2 MET 1 2HG MET 1 16.781 -31.127 3.315 8 HG3 MET 1 3HG MET 1 16.592 -29.471 2.724 9 HE1 MET 1 3HE MET 1 14.380 -31.648 2.092 10 HE2 MET 1 1HE MET 1 14.111 -31.372 0.367 11 HE3 MET 1 2HE MET 1 14.327 -30.004 1.454 12 H ILE 2 H ILE 2 17.243 -28.388 0.003 13 HA ILE 2 HA ILE 2 17.606 -25.628 1.011 14 HB ILE 2 HB ILE 2 16.657 -26.702 -1.695 15 HG12 ILE 2 2HG1 ILE 2 19.115 -26.721 -1.325 16 HG13 ILE 2 3HG1 ILE 2 18.667 -25.590 -2.600 17 HG21 ILE 2 1HG2 ILE 2 16.723 -23.803 -0.786 18 HG22 ILE 2 2HG2 ILE 2 15.286 -24.754 -1.163 19 HG23 ILE 2 3HG2 ILE 2 16.430 -24.350 -2.441 20 HD11 ILE 2 3HD1 ILE 2 18.957 -23.735 -1.019 21 HD12 ILE 2 1HD1 ILE 2 20.422 -24.700 -1.174 22 HD13 ILE 2 2HD1 ILE 2 19.395 -24.884 0.246 23 H GLU 3 H GLU 3 15.917 -24.825 2.175 24 HA GLU 3 HA GLU 3 13.160 -25.766 1.624 25 HB2 GLU 3 2HB GLU 3 12.501 -24.811 3.729 26 HB3 GLU 3 3HB GLU 3 13.965 -25.740 4.031 27 HG2 GLU 3 2HG GLU 3 15.289 -23.801 4.328 28 HG3 GLU 3 3HG GLU 3 14.103 -22.748 3.565 29 HA PRO 4 HA PRO 4 12.560 -21.610 -0.246 30 HB2 PRO 4 2HB PRO 4 9.843 -21.631 -0.559 31 HB3 PRO 4 3HB PRO 4 10.923 -22.560 -1.619 32 HG2 PRO 4 2HG PRO 4 9.300 -23.514 0.717 33 HG3 PRO 4 3HG PRO 4 9.544 -24.276 -0.871 34 HD2 PRO 4 2HD PRO 4 10.923 -25.032 1.382 35 HD3 PRO 4 3HD PRO 4 11.581 -25.202 -0.260 36 H ILE 5 H ILE 5 12.710 -19.834 0.999 37 HA ILE 5 HA ILE 5 10.987 -19.473 3.393 38 HB ILE 5 HB ILE 5 12.687 -17.824 4.190 39 HG12 ILE 5 2HG1 ILE 5 14.368 -18.799 1.831 40 HG13 ILE 5 3HG1 ILE 5 13.669 -17.194 1.988 41 HG21 ILE 5 1HG2 ILE 5 12.764 -20.129 5.026 42 HG22 ILE 5 2HG2 ILE 5 14.392 -19.460 4.913 43 HG23 ILE 5 3HG2 ILE 5 13.821 -20.600 3.692 44 HD11 ILE 5 3HD1 ILE 5 16.034 -17.187 2.466 45 HD12 ILE 5 1HD1 ILE 5 15.807 -18.372 3.742 46 HD13 ILE 5 2HD1 ILE 5 15.115 -16.764 3.910 47 H LYS 6 H LYS 6 10.677 -17.014 3.857 48 HA LYS 6 HA LYS 6 10.603 -15.212 1.677 49 HB2 LYS 6 2HB LYS 6 8.210 -14.940 1.300 50 HB3 LYS 6 3HB LYS 6 8.683 -16.586 0.936 51 HG2 LYS 6 2HG LYS 6 7.365 -15.768 3.527 52 HG3 LYS 6 3HG LYS 6 6.455 -16.298 2.122 53 HD2 LYS 6 2HD LYS 6 8.516 -17.949 3.643 54 HD3 LYS 6 3HD LYS 6 6.766 -18.122 3.791 55 HE2 LYS 6 2HE LYS 6 6.630 -18.865 1.449 56 HE3 LYS 6 3HE LYS 6 8.364 -18.598 1.245 57 HZ1 LYS 6 3HZ LYS 6 7.083 -20.598 3.022 58 HZ2 LYS 6 1HZ LYS 6 8.744 -20.287 2.977 59 HZ3 LYS 6 2HZ LYS 6 7.961 -20.902 1.614 60 H ARG 7 H ARG 7 10.231 -13.124 2.235 61 HA ARG 7 HA ARG 7 9.323 -12.488 4.993 62 HB2 ARG 7 2HB ARG 7 11.122 -10.906 3.101 63 HB3 ARG 7 3HB ARG 7 10.467 -10.240 4.598 64 HG2 ARG 7 2HG ARG 7 11.690 -11.919 5.912 65 HG3 ARG 7 3HG ARG 7 12.280 -12.668 4.432 66 HD2 ARG 7 2HD ARG 7 12.985 -9.927 5.510 67 HD3 ARG 7 3HD ARG 7 14.058 -11.319 5.334 68 HE ARG 7 HE ARG 7 12.827 -10.062 2.962 69 HH11 ARG 7 1HH1 ARG 7 15.757 -10.852 4.730 70 HH12 ARG 7 2HH1 ARG 7 16.792 -10.423 3.410 71 HH21 ARG 7 1HH2 ARG 7 14.200 -9.547 1.247 72 HH22 ARG 7 2HH2 ARG 7 15.917 -9.689 1.446 73 H THR 8 H THR 8 8.235 -10.244 5.035 74 HA THR 8 HA THR 8 6.384 -9.899 2.756 75 HB THR 8 HB THR 8 5.527 -10.110 5.685 76 HG1 THR 8 HG1 THR 8 6.098 -12.139 4.795 77 HG21 THR 8 3HG2 THR 8 3.225 -10.097 4.788 78 HG22 THR 8 1HG2 THR 8 3.853 -9.884 3.149 79 HG23 THR 8 2HG2 THR 8 4.067 -8.612 4.352 80 H GLN 9 H GLN 9 6.981 -7.869 2.140 81 HA GLN 9 HA GLN 9 7.236 -5.699 4.112 82 HB2 GLN 9 2HB GLN 9 8.974 -5.989 2.326 83 HB3 GLN 9 3HB GLN 9 7.744 -5.709 1.107 84 HG2 GLN 9 2HG GLN 9 8.989 -3.700 1.326 85 HG3 GLN 9 3HG GLN 9 7.423 -3.399 2.079 86 HE21 GLN 9 1HE2 GLN 9 10.221 -2.251 2.451 87 HE22 GLN 9 2HE2 GLN 9 10.473 -2.290 4.156 88 H VAL 10 H VAL 10 5.260 -4.906 4.649 89 HA VAL 10 HA VAL 10 3.156 -4.650 2.630 90 HB VAL 10 HB VAL 10 1.622 -4.099 4.437 91 HG11 VAL 10 1HG1 VAL 10 1.696 -6.248 5.685 92 HG12 VAL 10 2HG1 VAL 10 3.341 -6.523 5.113 93 HG13 VAL 10 3HG1 VAL 10 2.004 -6.470 3.963 94 HG21 VAL 10 3HG2 VAL 10 2.323 -4.056 6.826 95 HG22 VAL 10 1HG2 VAL 10 3.095 -2.768 5.900 96 HG23 VAL 10 2HG2 VAL 10 4.012 -4.211 6.334 97 H VAL 11 H VAL 11 2.271 -2.692 2.015 98 HA VAL 11 HA VAL 11 3.774 -0.213 2.697 99 HB VAL 11 HB VAL 11 2.460 -0.991 0.037 100 HG11 VAL 11 1HG1 VAL 11 3.976 1.551 0.749 101 HG12 VAL 11 2HG1 VAL 11 2.243 1.425 0.449 102 HG13 VAL 11 3HG1 VAL 11 3.381 1.117 -0.858 103 HG21 VAL 11 3HG2 VAL 11 5.406 -0.664 0.755 104 HG22 VAL 11 1HG2 VAL 11 4.772 -1.003 -0.860 105 HG23 VAL 11 2HG2 VAL 11 4.573 -2.187 0.430 106 H THR 12 H THR 12 2.508 0.913 4.044 107 HA THR 12 HA THR 12 -0.379 0.396 4.116 108 HB THR 12 HB THR 12 1.453 1.721 6.172 109 HG1 THR 12 HG1 THR 12 1.840 -0.547 5.746 110 HG21 THR 12 3HG2 THR 12 -0.891 2.414 6.469 111 HG22 THR 12 1HG2 THR 12 -0.407 1.310 7.756 112 HG23 THR 12 2HG2 THR 12 -1.412 0.727 6.425 113 H GLN 13 H GLN 13 -1.448 1.762 2.794 114 HA GLN 13 HA GLN 13 -1.000 4.664 2.877 115 HB2 GLN 13 2HB GLN 13 -1.452 3.341 0.710 116 HB3 GLN 13 3HB GLN 13 -3.097 3.139 1.282 117 HG2 GLN 13 2HG GLN 13 -3.162 4.961 -0.212 118 HG3 GLN 13 3HG GLN 13 -3.237 5.683 1.395 119 HE21 GLN 13 1HE2 GLN 13 -0.364 4.403 -0.225 120 HE22 GLN 13 2HE2 GLN 13 0.450 5.912 -0.376 121 H THR 14 H THR 14 -1.851 5.475 4.736 122 HA THR 14 HA THR 14 -4.448 4.588 5.782 123 HB THR 14 HB THR 14 -3.882 6.231 7.651 124 HG1 THR 14 HG1 THR 14 -2.256 7.287 6.032 125 HG21 THR 14 3HG2 THR 14 -2.075 4.889 8.651 126 HG22 THR 14 1HG2 THR 14 -1.747 4.133 7.088 127 HG23 THR 14 2HG2 THR 14 -3.284 3.844 7.908 128 H ILE 15 H ILE 15 -6.187 5.497 4.758 129 HA ILE 15 HA ILE 15 -6.023 8.185 3.614 130 HB ILE 15 HB ILE 15 -8.185 6.036 3.408 131 HG12 ILE 15 2HG1 ILE 15 -7.747 6.275 0.937 132 HG13 ILE 15 3HG1 ILE 15 -6.474 7.440 1.287 133 HG21 ILE 15 1HG2 ILE 15 -8.389 8.904 2.381 134 HG22 ILE 15 2HG2 ILE 15 -9.379 8.162 3.640 135 HG23 ILE 15 3HG2 ILE 15 -9.508 7.594 1.980 136 HD11 ILE 15 3HD1 ILE 15 -5.163 5.719 2.360 137 HD12 ILE 15 1HD1 ILE 15 -5.631 5.217 0.738 138 HD13 ILE 15 2HD1 ILE 15 -6.465 4.543 2.139 139 H HIS 16 H HIS 16 -6.698 9.956 4.670 140 HA HIS 16 HA HIS 16 -8.619 9.681 6.930 141 HB2 HIS 16 2HB HIS 16 -6.748 12.010 6.261 142 HB3 HIS 16 3HB HIS 16 -7.850 11.941 7.634 143 HD1 HIS 16 HD1 HIS 16 -5.070 12.438 8.393 144 HD2 HIS 16 HD2 HIS 16 -6.414 8.560 7.816 145 HE1 HIS 16 HE1 HIS 16 -3.450 10.982 9.616 146 HE2 HIS 16 HE2 HIS 16 -4.268 8.648 9.239 147 H TYR 17 H TYR 17 -10.684 10.314 6.484 148 HA TYR 17 HA TYR 17 -11.240 11.835 4.033 149 HB2 TYR 17 2HB TYR 17 -13.108 10.389 5.970 150 HB3 TYR 17 3HB TYR 17 -13.629 11.243 4.521 151 HD1 TYR 17 HD1 TYR 17 -12.639 10.437 2.263 152 HD2 TYR 17 HD2 TYR 17 -12.546 8.065 5.806 153 HE1 TYR 17 HE1 TYR 17 -12.311 8.434 0.904 154 HE2 TYR 17 HE2 TYR 17 -12.236 6.051 4.438 155 HH TYR 17 HH TYR 17 -11.416 6.194 1.127 156 H ARG 18 H ARG 18 -11.065 13.952 4.351 157 HA ARG 18 HA ARG 18 -12.252 15.208 6.770 158 HB2 ARG 18 2HB ARG 18 -9.908 16.167 5.048 159 HB3 ARG 18 3HB ARG 18 -10.664 17.131 6.311 160 HG2 ARG 18 2HG ARG 18 -9.225 14.499 6.763 161 HG3 ARG 18 3HG ARG 18 -8.513 16.096 7.005 162 HD2 ARG 18 2HD ARG 18 -10.326 16.556 8.709 163 HD3 ARG 18 3HD ARG 18 -10.830 14.871 8.542 164 HE ARG 18 HE ARG 18 -8.498 14.291 9.270 165 HH11 ARG 18 1HH1 ARG 18 -9.960 17.300 10.320 166 HH12 ARG 18 2HH1 ARG 18 -9.003 17.407 11.753 167 HH21 ARG 18 1HH2 ARG 18 -7.243 14.459 11.164 168 HH22 ARG 18 2HH2 ARG 18 -7.465 15.803 12.232 169 H TYR 19 H TYR 19 -13.539 17.045 6.381 170 HA TYR 19 HA TYR 19 -14.623 17.522 3.742 171 HB2 TYR 19 2HB TYR 19 -15.075 18.842 6.454 172 HB3 TYR 19 3HB TYR 19 -15.893 19.355 4.983 173 HD1 TYR 19 HD2 TYR 19 -17.337 17.588 3.740 174 HD2 TYR 19 HD1 TYR 19 -16.049 17.097 7.778 175 HE1 TYR 19 HE2 TYR 19 -19.164 16.011 4.139 176 HE2 TYR 19 HE1 TYR 19 -17.885 15.517 8.172 177 HH TYR 19 HH TYR 19 -20.147 15.049 7.181 178 H GLU 20 H GLU 20 -14.783 20.038 3.168 179 HA GLU 20 HA GLU 20 -12.154 21.059 2.767 180 HB2 GLU 20 2HB GLU 20 -13.247 23.115 1.897 181 HB3 GLU 20 3HB GLU 20 -13.881 21.646 1.163 182 HG2 GLU 20 2HG GLU 20 -15.948 21.824 2.240 183 HG3 GLU 20 3HG GLU 20 -15.307 22.858 3.520 184 H ASP 21 H ASP 21 -14.626 21.604 5.188 185 HA ASP 21 HA ASP 21 -13.459 23.874 6.483 186 HB2 ASP 21 2HB ASP 21 -15.871 23.223 6.652 187 HB3 ASP 21 3HB ASP 21 -15.410 21.803 7.586 188 H GLY 22 H GLY 22 -12.684 20.524 6.487 189 HA2 GLY 22 2HA GLY 22 -10.664 19.666 7.393 190 HA3 GLY 22 3HA GLY 22 -10.716 20.885 8.660 191 H ALA 23 H ALA 23 -13.794 19.797 8.513 192 HA ALA 23 HA ALA 23 -13.695 18.288 10.910 193 HB1 ALA 23 3HB ALA 23 -15.656 19.615 10.266 194 HB2 ALA 23 1HB ALA 23 -16.115 17.931 10.533 195 HB3 ALA 23 2HB ALA 23 -15.947 18.556 8.886 196 H VAL 24 H VAL 24 -13.921 16.040 11.268 197 HA VAL 24 HA VAL 24 -12.781 14.341 9.216 198 HB VAL 24 HB VAL 24 -13.760 13.603 12.021 199 HG11 VAL 24 1HG1 VAL 24 -13.601 11.626 10.565 200 HG12 VAL 24 2HG1 VAL 24 -12.338 11.585 11.792 201 HG13 VAL 24 3HG1 VAL 24 -11.941 12.045 10.133 202 HG21 VAL 24 3HG2 VAL 24 -11.375 13.750 12.695 203 HG22 VAL 24 1HG2 VAL 24 -11.989 15.302 12.122 204 HG23 VAL 24 2HG2 VAL 24 -10.952 14.324 11.081 205 H ALA 25 H ALA 25 -14.157 13.820 7.583 206 HA ALA 25 HA ALA 25 -16.896 13.096 7.797 207 HB1 ALA 25 3HB ALA 25 -14.846 12.370 5.672 208 HB2 ALA 25 1HB ALA 25 -15.895 13.788 5.666 209 HB3 ALA 25 2HB ALA 25 -16.592 12.175 5.508 210 H HIS 26 H HIS 26 -13.906 11.225 7.593 211 HA HIS 26 HA HIS 26 -14.715 9.241 9.495 212 HB2 HIS 26 2HB HIS 26 -14.799 8.565 6.572 213 HB3 HIS 26 3HB HIS 26 -13.954 7.392 7.566 214 HD1 HIS 26 HD1 HIS 26 -17.360 8.778 6.917 215 HD2 HIS 26 HD2 HIS 26 -15.575 5.886 9.291 216 HE1 HIS 26 HE1 HIS 26 -19.255 7.382 7.791 217 HE2 HIS 26 HE2 HIS 26 -18.133 5.544 9.094 218 H ASP 27 H ASP 27 -12.884 7.868 10.094 219 HA ASP 27 HA ASP 27 -10.404 9.420 9.956 220 HB2 ASP 27 2HB ASP 27 -9.727 8.044 11.913 221 HB3 ASP 27 3HB ASP 27 -11.272 8.847 12.166 222 H ASP 28 H ASP 28 -8.757 7.050 10.705 223 HA ASP 28 HA ASP 28 -7.457 6.705 8.285 224 HB2 ASP 28 2HB ASP 28 -7.307 5.013 10.810 225 HB3 ASP 28 3HB ASP 28 -6.164 4.898 9.475 226 H HIS 29 H HIS 29 -9.019 5.957 6.705 227 HA HIS 29 HA HIS 29 -9.800 3.167 6.698 228 HB2 HIS 29 2HB HIS 29 -10.987 5.035 5.401 229 HB3 HIS 29 3HB HIS 29 -9.613 5.057 4.305 230 HD1 HIS 29 HD1 HIS 29 -12.318 4.473 3.149 231 HD2 HIS 29 HD2 HIS 29 -9.860 1.462 4.591 232 HE1 HIS 29 HE1 HIS 29 -13.124 2.380 2.055 233 HE2 HIS 29 HE2 HIS 29 -11.780 0.550 3.124 234 H VAL 30 H VAL 30 -7.989 1.974 6.991 235 HA VAL 30 HA VAL 30 -5.467 2.608 5.665 236 HB VAL 30 HB VAL 30 -6.099 0.444 7.743 237 HG11 VAL 30 1HG1 VAL 30 -3.411 1.570 6.857 238 HG12 VAL 30 2HG1 VAL 30 -4.044 -0.035 6.489 239 HG13 VAL 30 3HG1 VAL 30 -3.660 0.396 8.154 240 HG21 VAL 30 3HG2 VAL 30 -6.595 2.670 8.653 241 HG22 VAL 30 1HG2 VAL 30 -4.992 3.247 8.197 242 HG23 VAL 30 2HG2 VAL 30 -5.165 1.997 9.434 243 H VAL 31 H VAL 31 -5.002 1.673 3.778 244 HA VAL 31 HA VAL 31 -5.529 -1.221 3.376 245 HB VAL 31 HB VAL 31 -6.525 0.151 1.563 246 HG11 VAL 31 1HG1 VAL 31 -5.125 1.511 0.038 247 HG12 VAL 31 2HG1 VAL 31 -3.729 1.241 1.083 248 HG13 VAL 31 3HG1 VAL 31 -5.121 2.142 1.685 249 HG21 VAL 31 3HG2 VAL 31 -5.647 -2.072 0.955 250 HG22 VAL 31 1HG2 VAL 31 -4.067 -1.370 0.589 251 HG23 VAL 31 2HG2 VAL 31 -5.475 -0.947 -0.391 252 H SER 32 H SER 32 -3.688 -2.457 2.740 253 HA SER 32 HA SER 32 -1.055 -1.202 2.688 254 HB2 SER 32 2HB SER 32 -0.188 -3.026 4.255 255 HB3 SER 32 3HB SER 32 -1.201 -1.804 5.023 256 HG SER 32 HG SER 32 -2.979 -3.379 4.593 257 H LEU 33 H LEU 33 0.313 -2.226 1.227 258 HA LEU 33 HA LEU 33 -0.864 -4.423 -0.358 259 HB2 LEU 33 2HB LEU 33 1.488 -2.590 -0.967 260 HB3 LEU 33 3HB LEU 33 0.858 -3.828 -2.044 261 HG LEU 33 HG LEU 33 -0.520 -1.258 -1.207 262 HD11 LEU 33 1HD1 LEU 33 1.202 -0.964 -2.913 263 HD12 LEU 33 2HD1 LEU 33 -0.396 -0.705 -3.605 264 HD13 LEU 33 3HD1 LEU 33 0.461 -2.217 -3.912 265 HD21 LEU 33 3HD2 LEU 33 -2.411 -1.909 -2.659 266 HD22 LEU 33 1HD2 LEU 33 -2.229 -3.018 -1.301 267 HD23 LEU 33 2HD2 LEU 33 -1.681 -3.496 -2.908 268 H ILE 34 H ILE 34 -0.100 -6.395 -0.100 269 HA ILE 34 HA ILE 34 2.189 -6.934 1.618 270 HB ILE 34 HB ILE 34 -0.026 -8.723 0.499 271 HG12 ILE 34 2HG1 ILE 34 -0.497 -9.095 3.000 272 HG13 ILE 34 3HG1 ILE 34 0.661 -7.819 3.346 273 HG21 ILE 34 1HG2 ILE 34 2.021 -10.062 0.499 274 HG22 ILE 34 2HG2 ILE 34 0.947 -10.619 1.775 275 HG23 ILE 34 3HG2 ILE 34 2.346 -9.625 2.175 276 HD11 ILE 34 3HD1 ILE 34 -1.625 -7.031 3.494 277 HD12 ILE 34 1HD1 ILE 34 -1.929 -7.500 1.822 278 HD13 ILE 34 2HD1 ILE 34 -0.777 -6.210 2.185 279 H PHE 35 H PHE 35 4.103 -6.984 0.620 280 HA PHE 35 HA PHE 35 4.445 -8.398 -1.965 281 HB2 PHE 35 2HB PHE 35 6.291 -6.423 -0.536 282 HB3 PHE 35 3HB PHE 35 6.661 -7.231 -2.056 283 HD1 PHE 35 HD2 PHE 35 5.503 -6.576 -4.138 284 HD2 PHE 35 HD1 PHE 35 4.678 -4.558 -0.462 285 HE1 PHE 35 HE2 PHE 35 4.435 -4.744 -5.377 286 HE2 PHE 35 HE1 PHE 35 3.602 -2.737 -1.716 287 HZ PHE 35 HZ PHE 35 3.486 -2.821 -4.171 288 H THR 36 H THR 36 4.614 -10.499 -1.354 289 HA THR 36 HA THR 36 6.279 -11.315 0.919 290 HB THR 36 HB THR 36 4.623 -13.030 -0.992 291 HG1 THR 36 HG1 THR 36 3.387 -11.526 0.266 292 HG21 THR 36 3HG2 THR 36 5.807 -13.689 1.740 293 HG22 THR 36 1HG2 THR 36 6.373 -14.324 0.193 294 HG23 THR 36 2HG2 THR 36 4.766 -14.746 0.782 295 H GLN 37 H GLN 37 8.440 -11.112 0.376 296 HA GLN 37 HA GLN 37 9.414 -11.787 -2.246 297 HB2 GLN 37 2HB GLN 37 10.490 -10.025 -0.746 298 HB3 GLN 37 3HB GLN 37 11.185 -11.350 0.186 299 HG2 GLN 37 2HG GLN 37 12.172 -12.202 -2.001 300 HG3 GLN 37 3HG GLN 37 11.672 -10.684 -2.734 301 HE21 GLN 37 1HE2 GLN 37 14.250 -11.586 -2.722 302 HE22 GLN 37 2HE2 GLN 37 15.232 -10.538 -1.757 303 H SER 38 H SER 38 9.344 -13.852 -2.806 304 HA SER 38 HA SER 38 9.894 -16.023 -1.022 305 HB2 SER 38 2HB SER 38 9.808 -17.375 -3.171 306 HB3 SER 38 3HB SER 38 8.382 -16.378 -2.883 307 HG SER 38 HG SER 38 10.567 -15.728 -4.587 308 H GLY 39 H GLY 39 11.681 -17.242 -0.918 309 HA2 GLY 39 2HA GLY 39 14.073 -16.896 -2.513 310 HA3 GLY 39 3HA GLY 39 14.223 -16.364 -0.830 311 H LYS 40 H LYS 40 15.815 -18.156 -0.633 312 HA LYS 40 HA LYS 40 14.526 -20.530 0.358 313 HB2 LYS 40 2HB LYS 40 15.771 -22.136 -1.069 314 HB3 LYS 40 3HB LYS 40 14.612 -21.180 -1.961 315 HG2 LYS 40 2HG LYS 40 16.357 -21.160 -3.452 316 HG3 LYS 40 3HG LYS 40 16.745 -19.699 -2.545 317 HD2 LYS 40 2HD LYS 40 18.431 -20.914 -1.243 318 HD3 LYS 40 3HD LYS 40 17.973 -22.439 -2.002 319 HE2 LYS 40 2HE LYS 40 19.187 -20.048 -3.425 320 HE3 LYS 40 3HE LYS 40 20.047 -21.518 -2.972 321 HZ1 LYS 40 3HZ LYS 40 17.758 -21.399 -4.846 322 HZ2 LYS 40 1HZ LYS 40 18.689 -22.764 -4.479 323 HZ3 LYS 40 2HZ LYS 40 19.384 -21.456 -5.300 324 H ARG 41 H ARG 41 15.684 -21.537 1.948 325 HA ARG 41 HA ARG 41 18.357 -20.429 2.598 326 HB2 ARG 41 2HB ARG 41 16.515 -19.837 4.198 327 HB3 ARG 41 3HB ARG 41 16.238 -21.535 4.513 328 HG2 ARG 41 2HG ARG 41 18.996 -20.455 5.000 329 HG3 ARG 41 3HG ARG 41 17.725 -19.966 6.113 330 HD2 ARG 41 2HD ARG 41 18.330 -22.877 5.490 331 HD3 ARG 41 3HD ARG 41 19.086 -21.982 6.812 332 HE ARG 41 HE ARG 41 16.158 -22.338 6.606 333 HH11 ARG 41 1HH1 ARG 41 19.083 -22.540 8.557 334 HH12 ARG 41 2HH1 ARG 41 18.224 -22.951 10.000 335 HH21 ARG 41 2HH2 ARG 41 15.069 -22.920 8.501 336 HH22 ARG 41 1HH2 ARG 41 15.952 -23.170 9.975 337 H ASP 42 H ASP 42 19.977 -21.833 2.587 338 HA ASP 42 HA ASP 42 19.602 -24.682 2.199 339 HB2 ASP 42 2HB ASP 42 21.447 -23.508 1.063 340 HB3 ASP 42 3HB ASP 42 22.118 -22.997 2.608 341 H LEU 43 H LEU 43 19.802 -26.230 3.747 342 HA LEU 43 HA LEU 43 19.428 -25.326 6.486 343 HB2 LEU 43 2HB LEU 43 19.119 -28.070 5.210 344 HB3 LEU 43 3HB LEU 43 18.716 -27.699 6.881 345 HG LEU 43 HG LEU 43 17.360 -26.503 4.424 346 HD11 LEU 43 1HD1 LEU 43 16.729 -28.845 4.758 347 HD12 LEU 43 2HD1 LEU 43 15.376 -27.776 5.115 348 HD13 LEU 43 3HD1 LEU 43 16.289 -28.511 6.436 349 HD21 LEU 43 3HD2 LEU 43 17.405 -24.862 6.234 350 HD22 LEU 43 1HD2 LEU 43 16.745 -26.046 7.367 351 HD23 LEU 43 2HD2 LEU 43 15.768 -25.469 6.014 352 H THR 44 H THR 44 22.102 -26.622 4.732 353 HA THR 44 HA THR 44 23.330 -27.761 7.161 354 HB THR 44 HB THR 44 23.479 -29.192 5.193 355 HG1 THR 44 HG1 THR 44 25.173 -29.500 6.539 356 HG21 THR 44 3HG2 THR 44 24.881 -28.658 3.249 357 HG22 THR 44 1HG2 THR 44 25.164 -27.034 3.886 358 HG23 THR 44 2HG2 THR 44 23.540 -27.516 3.387 359 H ASN 45 H ASN 45 23.819 -25.118 4.843 360 HA ASN 45 HA ASN 45 26.113 -24.051 6.335 361 HB2 ASN 45 2HB ASN 45 25.937 -23.971 3.797 362 HB3 ASN 45 3HB ASN 45 24.642 -22.798 3.962 363 HD21 ASN 45 1HD2 ASN 45 27.049 -22.438 2.569 364 HD22 ASN 45 2HD2 ASN 45 27.933 -21.151 3.307 365 H GLY 46 H GLY 46 22.656 -23.522 5.978 366 HA2 GLY 46 2HA GLY 46 21.167 -22.249 7.230 367 HA3 GLY 46 3HA GLY 46 22.511 -21.724 8.241 368 H LYS 47 H LYS 47 22.558 -21.388 4.755 369 HA LYS 47 HA LYS 47 22.792 -18.464 5.001 370 HB2 LYS 47 2HB LYS 47 23.766 -18.581 2.719 371 HB3 LYS 47 3HB LYS 47 24.615 -19.626 3.850 372 HG2 LYS 47 2HG LYS 47 23.379 -21.586 2.953 373 HG3 LYS 47 3HG LYS 47 22.583 -20.531 1.787 374 HD2 LYS 47 2HD LYS 47 25.571 -21.058 1.949 375 HD3 LYS 47 3HD LYS 47 24.464 -21.774 0.778 376 HE2 LYS 47 2HE LYS 47 24.007 -19.551 -0.166 377 HE3 LYS 47 3HE LYS 47 25.068 -18.809 1.033 378 HZ1 LYS 47 3HZ LYS 47 26.928 -19.912 0.092 379 HZ2 LYS 47 1HZ LYS 47 26.098 -19.157 -1.163 380 HZ3 LYS 47 2HZ LYS 47 25.963 -20.826 -0.942 381 H GLU 48 H GLU 48 21.410 -17.028 3.966 382 HA GLU 48 HA GLU 48 18.927 -18.106 2.759 383 HB2 GLU 48 2HB GLU 48 19.599 -15.388 3.957 384 HB3 GLU 48 3HB GLU 48 18.051 -15.779 3.210 385 HG2 GLU 48 2HG GLU 48 17.582 -17.433 4.918 386 HG3 GLU 48 3HG GLU 48 19.188 -17.234 5.605 387 H ILE 49 H ILE 49 18.953 -18.145 0.612 388 HA ILE 49 HA ILE 49 20.230 -15.981 -0.957 389 HB ILE 49 HB ILE 49 19.357 -18.709 -2.038 390 HG12 ILE 49 2HG1 ILE 49 21.975 -19.047 -2.224 391 HG13 ILE 49 3HG1 ILE 49 22.063 -17.842 -0.946 392 HG21 ILE 49 1HG2 ILE 49 21.036 -16.505 -3.303 393 HG22 ILE 49 2HG2 ILE 49 19.389 -16.965 -3.740 394 HG23 ILE 49 3HG2 ILE 49 20.716 -18.088 -4.022 395 HD11 ILE 49 3HD1 ILE 49 20.754 -19.285 0.516 396 HD12 ILE 49 1HD1 ILE 49 22.175 -20.126 -0.098 397 HD13 ILE 49 2HD1 ILE 49 20.587 -20.473 -0.780 398 H TRP 50 H TRP 50 18.689 -14.492 -1.180 399 HA TRP 50 HA TRP 50 15.890 -15.118 -1.738 400 HB2 TRP 50 2HB TRP 50 17.320 -12.432 -1.405 401 HB3 TRP 50 3HB TRP 50 15.573 -12.678 -1.471 402 HD1 TRP 50 HD1 TRP 50 18.569 -13.094 0.911 403 HE1 TRP 50 HE1 TRP 50 17.683 -13.649 3.253 404 HE3 TRP 50 HE3 TRP 50 13.623 -13.705 -0.205 405 HZ2 TRP 50 HZ2 TRP 50 15.232 -14.229 4.484 406 HZ3 TRP 50 HZ3 TRP 50 12.077 -14.256 1.618 407 HH2 TRP 50 HH2 TRP 50 12.860 -14.514 3.913 408 H ASP 51 H ASP 51 14.847 -14.497 -3.670 409 HA ASP 51 HA ASP 51 16.381 -14.830 -6.044 410 HB2 ASP 51 2HB ASP 51 14.037 -15.640 -5.795 411 HB3 ASP 51 3HB ASP 51 13.469 -13.974 -5.731 412 H SER 52 H SER 52 17.601 -13.289 -6.949 413 HA SER 52 HA SER 52 17.628 -10.561 -6.263 414 HB2 SER 52 2HB SER 52 18.823 -11.858 -8.750 415 HB3 SER 52 3HB SER 52 19.311 -10.318 -8.034 416 HG SER 52 HG SER 52 20.173 -11.370 -6.334 417 H LYS 53 H LYS 53 16.176 -12.276 -8.987 418 HA LYS 53 HA LYS 53 15.435 -9.860 -10.403 419 HB2 LYS 53 2HB LYS 53 14.663 -11.278 -12.159 420 HB3 LYS 53 3HB LYS 53 16.166 -11.973 -11.555 421 HG2 LYS 53 2HG LYS 53 14.843 -13.552 -10.187 422 HG3 LYS 53 3HG LYS 53 13.373 -12.892 -10.896 423 HD2 LYS 53 2HD LYS 53 14.253 -13.584 -13.171 424 HD3 LYS 53 3HD LYS 53 15.582 -14.406 -12.343 425 HE2 LYS 53 2HE LYS 53 12.621 -15.019 -12.064 426 HE3 LYS 53 3HE LYS 53 13.822 -16.003 -12.900 427 HZ1 LYS 53 3HZ LYS 53 13.375 -16.910 -10.742 428 HZ2 LYS 53 1HZ LYS 53 13.725 -15.434 -9.988 429 HZ3 LYS 53 2HZ LYS 53 14.952 -16.303 -10.761 430 H TRP 54 H TRP 54 14.098 -11.511 -7.798 431 HA TRP 54 HA TRP 54 11.350 -11.560 -8.260 432 HB2 TRP 54 2HB TRP 54 12.363 -12.505 -6.210 433 HB3 TRP 54 3HB TRP 54 12.805 -10.904 -5.654 434 HD1 TRP 54 HD1 TRP 54 9.939 -13.365 -5.639 435 HE1 TRP 54 HE1 TRP 54 7.984 -12.411 -4.308 436 HE3 TRP 54 HE3 TRP 54 11.559 -8.534 -5.031 437 HZ2 TRP 54 HZ2 TRP 54 7.172 -9.982 -3.182 438 HZ3 TRP 54 HZ3 TRP 54 10.120 -6.966 -3.812 439 HH2 TRP 54 HH2 TRP 54 7.971 -7.671 -2.903 440 H SER 55 H SER 55 9.980 -10.017 -8.714 441 HA SER 55 HA SER 55 10.035 -7.430 -7.434 442 HB2 SER 55 2HB SER 55 9.837 -6.224 -9.665 443 HB3 SER 55 3HB SER 55 11.430 -6.867 -9.310 444 HG SER 55 HG SER 55 11.235 -8.337 -10.841 445 H LEU 56 H LEU 56 8.034 -7.400 -6.650 446 HA LEU 56 HA LEU 56 5.851 -8.718 -8.141 447 HB2 LEU 56 2HB LEU 56 6.354 -9.505 -5.804 448 HB3 LEU 56 3HB LEU 56 5.970 -7.900 -5.207 449 HG LEU 56 HG LEU 56 3.620 -8.185 -6.042 450 HD11 LEU 56 1HD1 LEU 56 2.825 -10.425 -6.727 451 HD12 LEU 56 2HD1 LEU 56 4.488 -11.023 -6.711 452 HD13 LEU 56 3HD1 LEU 56 4.006 -9.774 -7.861 453 HD21 LEU 56 3HD2 LEU 56 4.570 -10.350 -4.118 454 HD22 LEU 56 1HD2 LEU 56 2.904 -9.781 -4.290 455 HD23 LEU 56 2HD2 LEU 56 4.148 -8.688 -3.695 456 H THR 57 H THR 57 4.428 -7.416 -9.106 457 HA THR 57 HA THR 57 4.254 -4.568 -8.374 458 HB THR 57 HB THR 57 3.047 -6.034 -10.779 459 HG1 THR 57 HG1 THR 57 5.458 -5.816 -10.539 460 HG21 THR 57 3HG2 THR 57 1.860 -3.937 -10.210 461 HG22 THR 57 1HG2 THR 57 2.764 -3.764 -11.713 462 HG23 THR 57 2HG2 THR 57 3.391 -3.057 -10.221 463 H GLN 58 H GLN 58 2.795 -4.161 -6.840 464 HA GLN 58 HA GLN 58 0.167 -5.525 -6.838 465 HB2 GLN 58 2HB GLN 58 1.859 -5.846 -4.805 466 HB3 GLN 58 3HB GLN 58 1.389 -4.208 -4.378 467 HG2 GLN 58 2HG GLN 58 0.006 -5.561 -3.085 468 HG3 GLN 58 3HG GLN 58 -1.034 -5.078 -4.425 469 HE21 GLN 58 1HE2 GLN 58 1.512 -7.577 -4.488 470 HE22 GLN 58 2HE2 GLN 58 0.443 -8.908 -4.744 471 H THR 59 H THR 59 -1.473 -4.128 -7.220 472 HA THR 59 HA THR 59 -0.887 -1.365 -7.829 473 HB THR 59 HB THR 59 -3.591 -2.788 -7.945 474 HG1 THR 59 HG1 THR 59 -1.339 -3.210 -9.387 475 HG21 THR 59 3HG2 THR 59 -4.110 -1.120 -9.684 476 HG22 THR 59 1HG2 THR 59 -2.504 -0.395 -9.495 477 HG23 THR 59 2HG2 THR 59 -3.677 -0.313 -8.183 478 H PHE 60 H PHE 60 -1.265 0.354 -6.484 479 HA PHE 60 HA PHE 60 -3.170 0.230 -4.282 480 HB2 PHE 60 2HB PHE 60 -1.364 2.385 -5.391 481 HB3 PHE 60 3HB PHE 60 -2.812 2.919 -4.550 482 HD1 PHE 60 HD2 PHE 60 -3.098 1.041 -2.333 483 HD2 PHE 60 HD1 PHE 60 0.448 2.832 -3.920 484 HE1 PHE 60 HE2 PHE 60 -1.995 0.804 -0.149 485 HE2 PHE 60 HE1 PHE 60 1.541 2.589 -1.731 486 HZ PHE 60 HZ PHE 60 0.321 1.576 0.155 487 H GLU 61 H GLU 61 -5.230 0.210 -4.687 488 HA GLU 61 HA GLU 61 -6.644 2.197 -6.093 489 HB2 GLU 61 2HB GLU 61 -7.696 0.922 -7.884 490 HB3 GLU 61 3HB GLU 61 -5.951 0.839 -8.097 491 HG2 GLU 61 2HG GLU 61 -5.901 -1.440 -7.229 492 HG3 GLU 61 3HG GLU 61 -7.620 -1.370 -6.839 493 H ALA 62 H ALA 62 -9.087 1.446 -6.210 494 HA ALA 62 HA ALA 62 -10.978 0.630 -5.289 495 HB1 ALA 62 3HB ALA 62 -10.046 -1.545 -6.025 496 HB2 ALA 62 1HB ALA 62 -11.006 -1.710 -4.551 497 HB3 ALA 62 2HB ALA 62 -9.243 -1.722 -4.464 498 H LEU 63 H LEU 63 -9.875 2.558 -3.760 499 HA LEU 63 HA LEU 63 -10.354 1.737 -0.970 500 HB2 LEU 63 2HB LEU 63 -9.245 4.246 -2.232 501 HB3 LEU 63 3HB LEU 63 -9.981 4.361 -0.647 502 HG LEU 63 HG LEU 63 -7.563 4.157 -0.430 503 HD11 LEU 63 1HD1 LEU 63 -8.916 3.214 1.363 504 HD12 LEU 63 2HD1 LEU 63 -7.462 2.243 1.148 505 HD13 LEU 63 3HD1 LEU 63 -9.012 1.659 0.530 506 HD21 LEU 63 3HD2 LEU 63 -7.769 1.473 -1.855 507 HD22 LEU 63 1HD2 LEU 63 -6.312 2.173 -1.145 508 HD23 LEU 63 2HD2 LEU 63 -7.071 2.946 -2.533 509 HA PRO 64 HA PRO 64 -14.673 2.774 -2.164 510 HB2 PRO 64 2HB PRO 64 -15.848 1.531 0.019 511 HB3 PRO 64 3HB PRO 64 -15.353 0.671 -1.453 512 HG2 PRO 64 2HG PRO 64 -13.907 0.914 1.161 513 HG3 PRO 64 3HG PRO 64 -14.122 -0.511 0.126 514 HD2 PRO 64 2HD PRO 64 -11.822 0.894 0.131 515 HD3 PRO 64 3HD PRO 64 -12.447 0.125 -1.347 516 H SER 65 H SER 65 -14.413 4.972 -1.893 517 HA SER 65 HA SER 65 -14.326 6.233 0.723 518 HB2 SER 65 2HB SER 65 -14.129 8.338 -0.602 519 HB3 SER 65 3HB SER 65 -12.947 7.131 -1.118 520 HG SER 65 HG SER 65 -14.054 6.803 -2.955 521 HA PRO 66 HA PRO 66 -18.816 6.456 1.020 522 HB2 PRO 66 2HB PRO 66 -19.014 8.454 2.940 523 HB3 PRO 66 3HB PRO 66 -18.585 6.772 3.307 524 HG2 PRO 66 2HG PRO 66 -16.773 9.136 2.931 525 HG3 PRO 66 3HG PRO 66 -16.734 7.872 4.184 526 HD2 PRO 66 2HD PRO 66 -15.067 7.781 2.085 527 HD3 PRO 66 3HD PRO 66 -15.775 6.293 2.759 528 H VAL 67 H VAL 67 -20.385 7.506 -0.095 529 HA VAL 67 HA VAL 67 -19.863 10.082 -1.407 530 HB VAL 67 HB VAL 67 -22.294 8.222 -1.581 531 HG11 VAL 67 1HG1 VAL 67 -22.934 10.529 -2.112 532 HG12 VAL 67 2HG1 VAL 67 -22.948 9.553 -3.577 533 HG13 VAL 67 3HG1 VAL 67 -21.613 10.667 -3.272 534 HG21 VAL 67 3HG2 VAL 67 -19.985 8.561 -3.541 535 HG22 VAL 67 1HG2 VAL 67 -21.405 7.537 -3.785 536 HG23 VAL 67 2HG2 VAL 67 -20.263 7.170 -2.495 537 H ILE 68 H ILE 68 -20.252 11.853 -0.173 538 HA ILE 68 HA ILE 68 -22.395 11.828 1.869 539 HB ILE 68 HB ILE 68 -20.172 13.906 1.522 540 HG12 ILE 68 2HG1 ILE 68 -20.175 11.504 3.431 541 HG13 ILE 68 3HG1 ILE 68 -19.207 11.616 1.962 542 HG21 ILE 68 1HG2 ILE 68 -22.003 13.293 3.893 543 HG22 ILE 68 2HG2 ILE 68 -22.120 14.695 2.826 544 HG23 ILE 68 3HG2 ILE 68 -20.716 14.508 3.874 545 HD11 ILE 68 3HD1 ILE 68 -18.011 13.526 2.906 546 HD12 ILE 68 1HD1 ILE 68 -17.886 12.085 3.915 547 HD13 ILE 68 2HD1 ILE 68 -18.976 13.390 4.379 548 H ILE 69 H ILE 69 -24.201 13.069 1.545 549 HA ILE 69 HA ILE 69 -24.639 14.270 -1.034 550 HB ILE 69 HB ILE 69 -26.467 14.211 1.412 551 HG12 ILE 69 2HG1 ILE 69 -25.952 11.920 0.589 552 HG13 ILE 69 3HG1 ILE 69 -27.635 12.329 0.292 553 HG21 ILE 69 1HG2 ILE 69 -27.118 14.918 -1.478 554 HG22 ILE 69 2HG2 ILE 69 -27.133 16.017 -0.098 555 HG23 ILE 69 3HG2 ILE 69 -28.308 14.708 -0.190 556 HD11 ILE 69 3HD1 ILE 69 -25.424 12.355 -1.772 557 HD12 ILE 69 1HD1 ILE 69 -27.118 12.754 -2.066 558 HD13 ILE 69 2HD1 ILE 69 -26.667 11.119 -1.588 559 H GLY 70 H GLY 70 -24.655 16.369 -1.563 560 HA2 GLY 70 2HA GLY 70 -24.324 18.627 -1.479 561 HA3 GLY 70 3HA GLY 70 -24.617 18.589 0.261 562 H TYR 71 H TYR 71 -22.203 16.442 -0.948 563 HA TYR 71 HA TYR 71 -19.987 18.338 -0.725 564 HB2 TYR 71 2HB TYR 71 -20.192 15.793 0.963 565 HB3 TYR 71 3HB TYR 71 -18.680 16.665 0.699 566 HD1 TYR 71 HD1 TYR 71 -18.445 19.035 1.558 567 HD2 TYR 71 HD2 TYR 71 -21.794 16.590 2.601 568 HE1 TYR 71 HE1 TYR 71 -18.972 20.545 3.417 569 HE2 TYR 71 HE2 TYR 71 -22.304 18.096 4.470 570 HH TYR 71 HH TYR 71 -21.090 19.739 5.896 571 H THR 72 H THR 72 -18.030 17.493 -1.648 572 HA THR 72 HA THR 72 -18.221 15.100 -3.333 573 HB THR 72 HB THR 72 -17.535 17.874 -4.447 574 HG1 THR 72 HG1 THR 72 -19.861 16.311 -4.474 575 HG21 THR 72 3HG2 THR 72 -17.696 15.190 -5.886 576 HG22 THR 72 1HG2 THR 72 -16.215 16.082 -5.546 577 HG23 THR 72 2HG2 THR 72 -17.414 16.755 -6.652 578 H ALA 73 H ALA 73 -16.436 13.990 -2.719 579 HA ALA 73 HA ALA 73 -13.992 15.033 -1.761 580 HB1 ALA 73 3HB ALA 73 -13.075 12.776 -2.244 581 HB2 ALA 73 1HB ALA 73 -14.541 12.376 -3.141 582 HB3 ALA 73 2HB ALA 73 -14.624 12.686 -1.407 583 H ASP 74 H ASP 74 -12.220 15.760 -2.807 584 HA ASP 74 HA ASP 74 -12.283 16.427 -5.614 585 HB2 ASP 74 2HB ASP 74 -10.204 16.739 -3.411 586 HB3 ASP 74 3HB ASP 74 -9.852 17.184 -5.085 587 H LYS 75 H LYS 75 -11.324 13.718 -3.821 588 HA LYS 75 HA LYS 75 -10.576 12.313 -6.240 589 HB2 LYS 75 2HB LYS 75 -8.610 11.172 -5.090 590 HB3 LYS 75 3HB LYS 75 -8.343 12.854 -5.519 591 HG2 LYS 75 2HG LYS 75 -9.255 12.155 -2.737 592 HG3 LYS 75 3HG LYS 75 -7.568 11.939 -3.170 593 HD2 LYS 75 2HD LYS 75 -9.004 14.589 -3.546 594 HD3 LYS 75 3HD LYS 75 -8.233 14.151 -2.021 595 HE2 LYS 75 2HE LYS 75 -6.769 14.203 -4.677 596 HE3 LYS 75 3HE LYS 75 -6.818 15.569 -3.561 597 HZ1 LYS 75 3HZ LYS 75 -5.773 14.211 -1.886 598 HZ2 LYS 75 1HZ LYS 75 -4.827 14.223 -3.287 599 HZ3 LYS 75 2HZ LYS 75 -5.771 12.870 -2.912 600 HA PRO 76 HA PRO 76 -13.432 9.738 -3.628 601 HB2 PRO 76 2HB PRO 76 -15.142 9.051 -5.636 602 HB3 PRO 76 3HB PRO 76 -15.287 10.603 -4.785 603 HG2 PRO 76 2HG PRO 76 -14.012 10.025 -7.442 604 HG3 PRO 76 3HG PRO 76 -15.118 11.345 -6.994 605 HD2 PRO 76 2HD PRO 76 -12.412 11.678 -7.139 606 HD3 PRO 76 3HD PRO 76 -13.429 12.606 -6.012 607 H MET 77 H MET 77 -11.294 9.362 -6.239 608 HA MET 77 HA MET 77 -11.173 6.425 -5.896 609 HB2 MET 77 2HB MET 77 -11.689 7.087 -8.232 610 HB3 MET 77 3HB MET 77 -10.282 8.145 -8.263 611 HG2 MET 77 2HG MET 77 -9.808 6.081 -9.444 612 HG3 MET 77 3HG MET 77 -8.815 6.175 -7.989 613 HE1 MET 77 3HE MET 77 -9.377 2.350 -8.079 614 HE2 MET 77 1HE MET 77 -8.214 3.667 -7.931 615 HE3 MET 77 2HE MET 77 -9.065 3.406 -9.455 616 H VAL 78 H VAL 78 -9.645 6.068 -4.392 617 HA VAL 78 HA VAL 78 -7.141 7.640 -4.377 618 HB VAL 78 HB VAL 78 -8.068 5.625 -2.269 619 HG11 VAL 78 1HG1 VAL 78 -6.308 6.653 -0.853 620 HG12 VAL 78 2HG1 VAL 78 -5.828 7.684 -2.201 621 HG13 VAL 78 3HG1 VAL 78 -5.640 5.934 -2.316 622 HG21 VAL 78 3HG2 VAL 78 -8.669 7.560 -0.835 623 HG22 VAL 78 1HG2 VAL 78 -9.658 7.499 -2.297 624 HG23 VAL 78 2HG2 VAL 78 -8.337 8.661 -2.177 625 H GLY 79 H GLY 79 -5.249 6.717 -4.927 626 HA2 GLY 79 2HA GLY 79 -3.702 5.190 -5.653 627 HA3 GLY 79 3HA GLY 79 -4.780 3.887 -5.170 628 HA PRO 80 HA PRO 80 -5.626 4.521 -9.769 629 HB2 PRO 80 2HB PRO 80 -4.634 6.589 -11.140 630 HB3 PRO 80 3HB PRO 80 -5.886 6.873 -9.912 631 HG2 PRO 80 2HG PRO 80 -2.973 7.471 -9.791 632 HG3 PRO 80 3HG PRO 80 -4.330 8.295 -8.993 633 HD2 PRO 80 2HD PRO 80 -2.603 6.236 -7.886 634 HD3 PRO 80 3HD PRO 80 -3.941 7.088 -7.086 635 H ASP 81 H ASP 81 -2.936 3.441 -8.512 636 HA ASP 81 HA ASP 81 -1.450 3.066 -11.021 637 HB2 ASP 81 2HB ASP 81 0.586 4.129 -10.346 638 HB3 ASP 81 3HB ASP 81 -0.704 5.294 -10.089 639 H GLU 82 H GLU 82 -0.015 1.492 -11.072 640 HA GLU 82 HA GLU 82 -0.051 -0.588 -9.019 641 HB2 GLU 82 2HB GLU 82 1.378 -0.617 -11.704 642 HB3 GLU 82 3HB GLU 82 1.090 -1.998 -10.650 643 HG2 GLU 82 2HG GLU 82 -1.386 -1.587 -10.965 644 HG3 GLU 82 3HG GLU 82 -0.958 -0.413 -12.206 645 H VAL 83 H VAL 83 1.549 -1.008 -7.585 646 HA VAL 83 HA VAL 83 4.049 0.575 -7.650 647 HB VAL 83 HB VAL 83 2.787 -0.952 -5.308 648 HG11 VAL 83 1HG1 VAL 83 5.101 1.035 -5.349 649 HG12 VAL 83 2HG1 VAL 83 5.217 -0.703 -5.068 650 HG13 VAL 83 3HG1 VAL 83 4.385 0.319 -3.900 651 HG21 VAL 83 3HG2 VAL 83 2.691 2.037 -5.926 652 HG22 VAL 83 1HG2 VAL 83 2.092 1.273 -4.448 653 HG23 VAL 83 2HG2 VAL 83 1.336 0.908 -5.997 654 H THR 84 H THR 84 5.641 -0.591 -8.667 655 HA THR 84 HA THR 84 5.902 -3.489 -8.308 656 HB THR 84 HB THR 84 7.606 -1.593 -9.995 657 HG1 THR 84 HG1 THR 84 5.900 -3.313 -11.299 658 HG21 THR 84 3HG2 THR 84 8.759 -3.725 -9.465 659 HG22 THR 84 1HG2 THR 84 8.317 -3.666 -11.167 660 HG23 THR 84 2HG2 THR 84 7.363 -4.639 -10.044 661 H VAL 85 H VAL 85 6.698 -3.836 -6.253 662 HA VAL 85 HA VAL 85 9.212 -2.543 -5.416 663 HB VAL 85 HB VAL 85 7.278 -4.398 -3.932 664 HG11 VAL 85 1HG1 VAL 85 8.713 -4.177 -1.922 665 HG12 VAL 85 2HG1 VAL 85 9.930 -3.321 -2.875 666 HG13 VAL 85 3HG1 VAL 85 9.559 -5.009 -3.226 667 HG21 VAL 85 3HG2 VAL 85 6.951 -2.430 -2.452 668 HG22 VAL 85 1HG2 VAL 85 6.569 -2.040 -4.129 669 HG23 VAL 85 2HG2 VAL 85 8.094 -1.498 -3.426 670 H ASP 86 H ASP 86 11.011 -3.408 -6.114 671 HA ASP 86 HA ASP 86 11.288 -6.262 -6.790 672 HB2 ASP 86 2HB ASP 86 12.162 -4.334 -8.281 673 HB3 ASP 86 3HB ASP 86 13.375 -4.026 -7.044 674 H SER 87 H SER 87 13.195 -7.391 -5.888 675 HA SER 87 HA SER 87 13.608 -7.304 -3.119 676 HB2 SER 87 2HB SER 87 15.436 -8.395 -5.293 677 HB3 SER 87 3HB SER 87 15.541 -8.799 -3.573 678 HG SER 87 HG SER 87 14.097 -9.998 -5.351 679 H LYS 88 H LYS 88 15.124 -5.493 -5.665 680 HA LYS 88 HA LYS 88 17.488 -4.609 -4.330 681 HB2 LYS 88 2HB LYS 88 16.008 -3.341 -6.672 682 HB3 LYS 88 3HB LYS 88 17.672 -3.003 -6.198 683 HG2 LYS 88 2HG LYS 88 18.397 -5.189 -6.857 684 HG3 LYS 88 3HG LYS 88 16.735 -5.757 -7.031 685 HD2 LYS 88 2HD LYS 88 16.463 -4.055 -8.921 686 HD3 LYS 88 3HD LYS 88 18.211 -3.789 -8.828 687 HE2 LYS 88 2HE LYS 88 17.624 -5.405 -10.603 688 HE3 LYS 88 3HE LYS 88 18.615 -6.164 -9.357 689 HZ1 LYS 88 3HZ LYS 88 16.792 -7.597 -10.000 690 HZ2 LYS 88 1HZ LYS 88 15.656 -6.401 -9.628 691 HZ3 LYS 88 2HZ LYS 88 16.573 -7.105 -8.399 692 H ASN 89 H ASN 89 14.155 -3.418 -4.475 693 HA ASN 89 HA ASN 89 14.882 -1.187 -2.656 694 HB2 ASN 89 2HB ASN 89 12.943 0.054 -3.500 695 HB3 ASN 89 3HB ASN 89 14.013 -0.380 -4.819 696 HD21 ASN 89 1HD2 ASN 89 12.436 -0.192 -6.401 697 HD22 ASN 89 2HD2 ASN 89 11.099 -1.270 -6.548 698 H PHE 90 H PHE 90 13.900 -4.165 -2.332 699 HA PHE 90 HA PHE 90 11.313 -4.185 -1.240 700 HB2 PHE 90 2HB PHE 90 12.472 -6.216 -2.039 701 HB3 PHE 90 3HB PHE 90 13.610 -6.116 -0.703 702 HD1 PHE 90 HD1 PHE 90 10.007 -6.653 -1.534 703 HD2 PHE 90 HD2 PHE 90 13.060 -7.110 1.424 704 HE1 PHE 90 HE1 PHE 90 8.511 -8.060 -0.196 705 HE2 PHE 90 HE2 PHE 90 11.550 -8.516 2.757 706 HZ PHE 90 HZ PHE 90 9.275 -9.003 1.947 707 H LEU 91 H LEU 91 14.416 -3.531 0.238 708 HA LEU 91 HA LEU 91 13.541 -3.797 2.966 709 HB2 LEU 91 2HB LEU 91 16.044 -2.479 1.848 710 HB3 LEU 91 3HB LEU 91 15.713 -2.699 3.555 711 HG LEU 91 HG LEU 91 17.238 -4.428 2.979 712 HD11 LEU 91 1HD1 LEU 91 14.472 -5.698 3.036 713 HD12 LEU 91 2HD1 LEU 91 15.426 -5.211 4.436 714 HD13 LEU 91 3HD1 LEU 91 15.991 -6.521 3.403 715 HD21 LEU 91 3HD2 LEU 91 17.052 -4.352 0.524 716 HD22 LEU 91 1HD2 LEU 91 15.500 -5.194 0.600 717 HD23 LEU 91 2HD2 LEU 91 16.978 -6.008 1.119 718 H ASP 92 H ASP 92 13.311 -1.326 0.583 719 HA ASP 92 HA ASP 92 12.435 0.680 2.547 720 HB2 ASP 92 2HB ASP 92 12.677 0.894 -0.489 721 HB3 ASP 92 3HB ASP 92 12.172 2.199 0.580 722 H LYS 93 H LYS 93 10.353 1.643 2.321 723 HA LYS 93 HA LYS 93 8.241 0.191 0.892 724 HB2 LYS 93 2HB LYS 93 6.832 0.240 3.009 725 HB3 LYS 93 3HB LYS 93 8.191 -0.876 3.066 726 HG2 LYS 93 2HG LYS 93 9.494 0.822 4.354 727 HG3 LYS 93 3HG LYS 93 8.064 1.859 4.383 728 HD2 LYS 93 2HD LYS 93 6.827 0.124 5.638 729 HD3 LYS 93 3HD LYS 93 8.244 -0.934 5.578 730 HE2 LYS 93 2HE LYS 93 8.093 0.185 7.757 731 HE3 LYS 93 3HE LYS 93 9.534 0.717 6.894 732 HZ1 LYS 93 3HZ LYS 93 8.366 2.730 6.259 733 HZ2 LYS 93 1HZ LYS 93 8.387 2.560 7.940 734 HZ3 LYS 93 2HZ LYS 93 6.977 2.216 7.071 735 H GLN 94 H GLN 94 6.594 1.538 0.304 736 HA GLN 94 HA GLN 94 7.111 4.434 0.575 737 HB2 GLN 94 2HB GLN 94 5.790 4.602 -1.612 738 HB3 GLN 94 3HB GLN 94 7.381 3.871 -1.712 739 HG2 GLN 94 2HG GLN 94 4.899 2.158 -1.513 740 HG3 GLN 94 3HG GLN 94 5.439 2.814 -3.057 741 HE21 GLN 94 1HE2 GLN 94 7.429 2.073 -3.911 742 HE22 GLN 94 2HE2 GLN 94 8.133 0.582 -3.397 743 H ASN 95 H ASN 95 5.844 3.245 2.653 744 HA ASN 95 HA ASN 95 3.008 3.357 2.563 745 HB2 ASN 95 2HB ASN 95 3.104 3.394 5.039 746 HB3 ASN 95 3HB ASN 95 4.161 2.160 4.372 747 HD21 ASN 95 1HD2 ASN 95 4.017 5.124 6.184 748 HD22 ASN 95 2HD2 ASN 95 5.687 5.171 6.629 749 H ARG 96 H ARG 96 1.720 5.050 2.421 750 HA ARG 96 HA ARG 96 2.689 7.772 3.079 751 HB2 ARG 96 2HB ARG 96 1.095 6.927 0.617 752 HB3 ARG 96 3HB ARG 96 1.440 8.591 1.054 753 HG2 ARG 96 2HG ARG 96 3.584 6.542 0.384 754 HG3 ARG 96 3HG ARG 96 2.868 7.643 -0.795 755 HD2 ARG 96 2HD ARG 96 4.390 8.492 1.693 756 HD3 ARG 96 3HD ARG 96 5.053 8.468 0.058 757 HE ARG 96 HE ARG 96 3.162 10.385 1.184 758 HH11 ARG 96 2HH1 ARG 96 4.750 9.263 -1.740 759 HH12 ARG 96 1HH1 ARG 96 4.416 10.716 -2.621 760 HH21 ARG 96 2HH2 ARG 96 2.699 12.271 0.005 761 HH22 ARG 96 1HH2 ARG 96 3.248 12.425 -1.630 762 H GLU 97 H GLU 97 0.695 9.300 2.962 763 HA GLU 97 HA GLU 97 -1.721 8.092 4.173 764 HB2 GLU 97 2HB GLU 97 -0.139 9.189 5.869 765 HB3 GLU 97 3HB GLU 97 -0.425 10.722 5.060 766 HG2 GLU 97 2HG GLU 97 -2.611 9.042 6.330 767 HG3 GLU 97 3HG GLU 97 -1.749 10.314 7.182 768 H GLU 98 H GLU 98 -3.466 8.637 2.967 769 HA GLU 98 HA GLU 98 -3.244 10.944 1.121 770 HB2 GLU 98 2HB GLU 98 -3.540 8.346 0.312 771 HB3 GLU 98 3HB GLU 98 -5.233 8.777 0.491 772 HG2 GLU 98 2HG GLU 98 -3.162 9.994 -1.345 773 HG3 GLU 98 3HG GLU 98 -4.659 9.184 -1.783 774 H THR 99 H THR 99 -4.379 12.568 1.976 775 HA THR 99 HA THR 99 -6.934 12.111 3.346 776 HB THR 99 HB THR 99 -5.264 14.654 3.069 777 HG1 THR 99 HG1 THR 99 -4.916 12.592 4.604 778 HG21 THR 99 3HG2 THR 99 -7.647 15.246 3.324 779 HG22 THR 99 1HG2 THR 99 -6.767 15.593 4.812 780 HG23 THR 99 2HG2 THR 99 -7.792 14.159 4.708 781 H VAL 100 H VAL 100 -8.766 12.274 2.192 782 HA VAL 100 HA VAL 100 -8.766 13.810 -0.335 783 HB VAL 100 HB VAL 100 -10.487 12.513 -1.168 784 HG11 VAL 100 1HG1 VAL 100 -10.135 10.117 -0.667 785 HG12 VAL 100 2HG1 VAL 100 -9.233 10.555 0.785 786 HG13 VAL 100 3HG1 VAL 100 -8.606 10.993 -0.803 787 HG21 VAL 100 3HG2 VAL 100 -12.198 12.983 0.483 788 HG22 VAL 100 1HG2 VAL 100 -11.465 11.856 1.626 789 HG23 VAL 100 2HG2 VAL 100 -12.190 11.254 0.133 790 H ILE 101 H ILE 101 -9.984 15.622 -0.539 791 HA ILE 101 HA ILE 101 -11.278 16.712 1.897 792 HB ILE 101 HB ILE 101 -10.338 18.122 -0.651 793 HG12 ILE 101 2HG1 ILE 101 -8.435 17.413 0.728 794 HG13 ILE 101 3HG1 ILE 101 -8.610 19.156 0.865 795 HG21 ILE 101 1HG2 ILE 101 -11.556 19.348 1.855 796 HG22 ILE 101 2HG2 ILE 101 -12.292 19.289 0.253 797 HG23 ILE 101 3HG2 ILE 101 -10.841 20.252 0.515 798 HD11 ILE 101 3HD1 ILE 101 -9.430 17.098 2.923 799 HD12 ILE 101 1HD1 ILE 101 -9.697 18.838 3.067 800 HD13 ILE 101 2HD1 ILE 101 -8.055 18.199 3.010 801 H TYR 102 H TYR 102 -13.412 16.501 2.022 802 HA TYR 102 HA TYR 102 -15.134 16.356 -0.323 803 HB2 TYR 102 2HB TYR 102 -15.727 16.164 2.665 804 HB3 TYR 102 3HB TYR 102 -16.976 16.135 1.423 805 HD1 TYR 102 HD1 TYR 102 -17.253 14.177 -0.035 806 HD2 TYR 102 HD2 TYR 102 -14.236 14.220 2.993 807 HE1 TYR 102 HE1 TYR 102 -16.982 11.749 -0.266 808 HE2 TYR 102 HE2 TYR 102 -13.972 11.797 2.751 809 HH TYR 102 HH TYR 102 -15.309 10.033 0.177 810 H SER 103 H SER 103 -15.137 18.339 -1.234 811 HA SER 103 HA SER 103 -15.420 20.762 0.357 812 HB2 SER 103 2HB SER 103 -15.248 21.797 -2.016 813 HB3 SER 103 3HB SER 103 -13.816 20.957 -1.408 814 HG SER 103 HG SER 103 -14.127 19.358 -2.778 815 H ALA 104 H ALA 104 -17.283 21.941 0.357 816 HA ALA 104 HA ALA 104 -19.764 20.727 0.235 817 HB1 ALA 104 3HB ALA 104 -19.333 22.775 1.525 818 HB2 ALA 104 1HB ALA 104 -20.711 23.000 0.444 819 HB3 ALA 104 2HB ALA 104 -19.144 23.693 0.030 820 H ASN 105 H ASN 105 -20.810 19.972 -1.427 821 HA ASN 105 HA ASN 105 -20.218 20.398 -4.153 822 HB2 ASN 105 2HB ASN 105 -21.391 18.387 -2.979 823 HB3 ASN 105 3HB ASN 105 -22.863 19.326 -3.089 824 HD21 ASN 105 1HD2 ASN 105 -22.223 16.751 -4.220 825 HD22 ASN 105 2HD2 ASN 105 -22.476 16.906 -5.916 826 H THR 106 H THR 106 -21.355 21.505 -5.732 827 HA THR 106 HA THR 106 -22.445 23.997 -5.404 828 HB THR 106 HB THR 106 -21.747 23.214 -7.605 829 HG1 THR 106 HG1 THR 106 -23.291 24.855 -7.689 830 HG21 THR 106 3HG2 THR 106 -22.492 20.834 -7.373 831 HG22 THR 106 1HG2 THR 106 -23.019 21.545 -8.907 832 HG23 THR 106 2HG2 THR 106 -24.164 21.353 -7.576 833 H ILE 107 H ILE 107 -24.070 20.893 -5.197 834 HA ILE 107 HA ILE 107 -26.767 21.522 -5.318 835 HB ILE 107 HB ILE 107 -25.444 19.450 -3.500 836 HG12 ILE 107 2HG1 ILE 107 -24.681 19.083 -5.781 837 HG13 ILE 107 3HG1 ILE 107 -25.845 17.831 -5.382 838 HG21 ILE 107 1HG2 ILE 107 -28.300 19.549 -4.546 839 HG22 ILE 107 2HG2 ILE 107 -27.783 19.787 -2.876 840 HG23 ILE 107 3HG2 ILE 107 -27.589 18.210 -3.638 841 HD11 ILE 107 3HD1 ILE 107 -27.551 19.043 -6.688 842 HD12 ILE 107 1HD1 ILE 107 -26.151 18.588 -7.654 843 HD13 ILE 107 2HD1 ILE 107 -26.341 20.255 -7.115 844 H THR 108 H THR 108 -24.589 21.611 -2.485 845 HA THR 108 HA THR 108 -26.733 22.517 -0.710 846 HB THR 108 HB THR 108 -24.964 20.745 -0.050 847 HG1 THR 108 HG1 THR 108 -26.385 22.288 1.370 848 HG21 THR 108 3HG2 THR 108 -23.262 23.219 0.480 849 HG22 THR 108 1HG2 THR 108 -22.932 22.003 -0.756 850 HG23 THR 108 2HG2 THR 108 -22.872 21.563 0.950 851 H GLN 109 H GLN 109 -24.050 23.839 -2.498 852 HA GLN 109 HA GLN 109 -23.626 26.194 -0.925 853 HB2 GLN 109 2HB GLN 109 -22.852 25.534 -3.785 854 HB3 GLN 109 3HB GLN 109 -22.386 27.029 -2.982 855 HG2 GLN 109 2HG GLN 109 -21.131 25.738 -1.300 856 HG3 GLN 109 3HG GLN 109 -21.591 24.238 -2.105 857 HE21 GLN 109 1HE2 GLN 109 -18.929 25.341 -1.614 858 HE22 GLN 109 2HE2 GLN 109 -18.166 25.474 -3.156 859 H ASN 110 H ASN 110 -25.360 25.569 -3.946 860 HA ASN 110 HA ASN 110 -26.324 28.279 -4.191 861 HB2 ASN 110 2HB ASN 110 -27.182 27.665 -6.288 862 HB3 ASN 110 3HB ASN 110 -25.742 26.677 -6.133 863 HD21 ASN 110 1HD2 ASN 110 -27.041 24.667 -4.366 864 HD22 ASN 110 2HD2 ASN 110 -28.100 23.778 -5.401 865 H LYS 111 H LYS 111 -28.744 28.561 -4.681 866 HA LYS 111 HA LYS 111 -30.578 26.817 -3.275 867 HB2 LYS 111 2HB LYS 111 -31.524 29.004 -2.051 868 HB3 LYS 111 3HB LYS 111 -30.288 28.004 -1.322 869 HG2 LYS 111 2HG LYS 111 -29.678 30.276 -0.946 870 HG3 LYS 111 3HG LYS 111 -28.555 29.624 -2.138 871 HD2 LYS 111 2HD LYS 111 -29.894 30.739 -3.931 872 HD3 LYS 111 3HD LYS 111 -30.919 31.449 -2.680 873 HE2 LYS 111 2HE LYS 111 -28.986 32.657 -1.753 874 HE3 LYS 111 3HE LYS 111 -27.922 31.904 -2.948 875 HZ1 LYS 111 3HZ LYS 111 -30.147 33.777 -3.496 876 HZ2 LYS 111 1HZ LYS 111 -29.246 32.985 -4.686 877 HZ3 LYS 111 2HZ LYS 111 -28.496 34.094 -3.654 878 H LYS 112 H LYS 112 -32.630 26.903 -4.139 879 HA LYS 112 HA LYS 112 -33.508 28.931 -5.961 880 HB2 LYS 112 2HB LYS 112 -33.597 27.235 -7.965 881 HB3 LYS 112 3HB LYS 112 -32.116 28.115 -7.644 882 HG2 LYS 112 2HG LYS 112 -31.142 26.068 -7.914 883 HG3 LYS 112 3HG LYS 112 -31.582 25.861 -6.226 884 HD2 LYS 112 2HD LYS 112 -32.278 23.850 -7.232 885 HD3 LYS 112 3HD LYS 112 -33.772 24.780 -7.120 886 HE2 LYS 112 2HE LYS 112 -32.054 24.522 -9.615 887 HE3 LYS 112 3HE LYS 112 -33.520 23.604 -9.299 888 HZ1 LYS 112 3HZ LYS 112 -34.742 25.714 -9.278 889 HZ2 LYS 112 1HZ LYS 112 -33.985 25.416 -10.758 890 HZ3 LYS 112 2HZ LYS 112 -33.321 26.535 -9.690 891 H ASP 113 H ASP 113 -33.859 25.457 -5.306 892 HA ASP 113 HA ASP 113 -36.275 25.552 -3.951 893 HB2 ASP 113 2HB ASP 113 -37.885 24.553 -5.552 894 HB3 ASP 113 3HB ASP 113 -37.388 26.156 -6.069 895 H GLY 114 H GLY 114 -37.284 23.184 -3.909 896 HA2 GLY 114 2HA GLY 114 -36.942 21.000 -3.278 897 HA3 GLY 114 3HA GLY 114 -35.667 20.941 -4.484 898 H LEU 115 H LEU 115 -35.742 23.128 -1.746 899 HA LEU 115 HA LEU 115 -33.130 22.157 -0.822 900 HB2 LEU 115 2HB LEU 115 -34.708 24.590 0.084 901 HB3 LEU 115 3HB LEU 115 -33.033 24.227 0.471 902 HG LEU 115 HG LEU 115 -34.116 24.931 -2.285 903 HD11 LEU 115 1HD1 LEU 115 -32.825 26.995 -2.049 904 HD12 LEU 115 2HD1 LEU 115 -32.322 26.516 -0.426 905 HD13 LEU 115 3HD1 LEU 115 -34.023 26.846 -0.767 906 HD21 LEU 115 3HD2 LEU 115 -32.280 23.328 -2.532 907 HD22 LEU 115 1HD2 LEU 115 -31.251 24.300 -1.475 908 HD23 LEU 115 2HD2 LEU 115 -31.752 24.927 -3.046 909 H GLU 116 H GLU 116 -36.469 22.328 0.151 910 HA GLU 116 HA GLU 116 -37.732 21.260 1.680 911 HB2 GLU 116 2HB GLU 116 -35.237 19.613 2.289 912 HB3 GLU 116 3HB GLU 116 -36.896 19.167 2.681 913 HG2 GLU 116 2HG GLU 116 -37.446 18.838 0.361 914 HG3 GLU 116 3HG GLU 116 -35.941 19.584 -0.167 915 H HIS 117 H HIS 117 -34.705 20.961 3.479 916 HA HIS 117 HA HIS 117 -34.879 23.350 4.979 917 HB2 HIS 117 2HB HIS 117 -36.723 22.088 6.151 918 HB3 HIS 117 3HB HIS 117 -35.572 20.825 6.563 919 HD1 HIS 117 HD1 HIS 117 -35.188 21.036 9.017 920 HD2 HIS 117 HD2 HIS 117 -35.254 24.750 7.155 921 HE1 HIS 117 HE1 HIS 117 -34.668 22.699 10.821 922 HE2 HIS 117 HE2 HIS 117 -34.636 24.927 9.664 923 H HIS 118 H HIS 118 -33.856 19.991 4.984 924 HA HIS 118 HA HIS 118 -31.998 18.837 5.372 925 HB2 HIS 118 2HB HIS 118 -30.699 21.329 4.204 926 HB3 HIS 118 3HB HIS 118 -29.817 19.835 4.523 927 HD1 HIS 118 HD1 HIS 118 -30.742 21.365 1.696 928 HD2 HIS 118 HD2 HIS 118 -31.920 17.693 3.216 929 HE1 HIS 118 HE1 HIS 118 -31.516 20.040 -0.288 930 HE2 HIS 118 HE2 HIS 118 -32.392 17.905 0.685 931 H HIS 119 H HIS 119 -32.260 18.670 7.574 932 HA HIS 119 HA HIS 119 -30.420 20.281 9.248 933 HB2 HIS 119 2HB HIS 119 -32.755 20.928 9.755 934 HB3 HIS 119 3HB HIS 119 -33.190 19.241 10.004 935 HD1 HIS 119 HD1 HIS 119 -32.719 18.235 12.292 936 HD2 HIS 119 HD2 HIS 119 -31.101 22.036 11.850 937 HE1 HIS 119 HE1 HIS 119 -31.955 18.917 14.584 938 HE2 HIS 119 HE2 HIS 119 -30.765 21.104 14.236 939 H HIS 120 H HIS 120 -28.779 18.846 9.316 940 HA HIS 120 HA HIS 120 -29.235 15.987 9.859 941 HB2 HIS 120 2HB HIS 120 -26.639 17.485 9.244 942 HB3 HIS 120 3HB HIS 120 -26.821 15.732 9.343 943 HD1 HIS 120 HD1 HIS 120 -26.895 18.456 6.992 944 HD2 HIS 120 HD2 HIS 120 -28.679 14.722 7.236 945 HE1 HIS 120 HE1 HIS 120 -27.664 17.938 4.666 946 HE2 HIS 120 HE2 HIS 120 -28.861 15.734 4.862 947 H HIS 121 H HIS 121 -27.367 15.069 11.376 948 HA HIS 121 HA HIS 121 -27.549 16.467 13.946 949 HB2 HIS 121 2HB HIS 121 -26.758 14.414 14.959 950 HB3 HIS 121 3HB HIS 121 -27.998 13.993 13.788 951 HD1 HIS 121 HD1 HIS 121 -27.301 12.442 11.874 952 HD2 HIS 121 HD2 HIS 121 -24.093 13.631 14.227 953 HE1 HIS 121 HE1 HIS 121 -25.376 11.000 11.169 954 HE2 HIS 121 HE2 HIS 121 -23.453 11.740 12.588 955 H HIS 122 H HIS 122 -25.643 16.993 11.452 956 HA HIS 122 HA HIS 122 -23.573 17.606 10.910 957 HB2 HIS 122 2HB HIS 122 -23.208 18.029 13.918 958 HB3 HIS 122 3HB HIS 122 -22.057 18.556 12.694 959 HD1 HIS 122 HD1 HIS 122 -22.396 20.872 11.865 960 HD2 HIS 122 HD2 HIS 122 -25.847 19.335 13.580 961 HE1 HIS 122 HE1 HIS 122 -24.036 22.768 11.874 962 HE2 HIS 122 HE2 HIS 122 -26.095 21.840 12.982 Start of MODEL 3 1 H1 MET 1 1H MET 1 21.152 -30.638 -0.217 2 H2 MET 1 2H MET 1 21.464 -29.203 0.622 3 H3 MET 1 3H MET 1 20.991 -29.148 -0.993 4 HA MET 1 HA MET 1 18.850 -29.980 -0.498 5 HB2 MET 1 2HB MET 1 19.575 -31.428 1.418 6 HB3 MET 1 3HB MET 1 19.755 -29.990 2.415 7 HG2 MET 1 2HG MET 1 17.655 -31.134 2.921 8 HG3 MET 1 3HG MET 1 17.327 -29.552 2.207 9 HE1 MET 1 3HE MET 1 18.444 -32.925 0.403 10 HE2 MET 1 1HE MET 1 16.870 -33.566 -0.070 11 HE3 MET 1 2HE MET 1 17.302 -33.466 1.635 12 H ILE 2 H ILE 2 17.272 -28.472 -0.286 13 HA ILE 2 HA ILE 2 17.982 -25.739 0.627 14 HB ILE 2 HB ILE 2 16.232 -26.542 -1.764 15 HG12 ILE 2 2HG1 ILE 2 18.666 -26.964 -2.200 16 HG13 ILE 2 3HG1 ILE 2 17.997 -25.731 -3.255 17 HG21 ILE 2 1HG2 ILE 2 15.471 -24.434 -0.780 18 HG22 ILE 2 2HG2 ILE 2 16.210 -24.140 -2.352 19 HG23 ILE 2 3HG2 ILE 2 17.103 -23.766 -0.877 20 HD11 ILE 2 3HD1 ILE 2 20.231 -25.141 -2.535 21 HD12 ILE 2 1HD1 ILE 2 19.751 -25.250 -0.841 22 HD13 ILE 2 2HD1 ILE 2 19.068 -23.993 -1.876 23 H GLU 3 H GLU 3 16.209 -24.521 1.560 24 HA GLU 3 HA GLU 3 13.631 -25.928 1.938 25 HB2 GLU 3 2HB GLU 3 13.344 -24.922 4.136 26 HB3 GLU 3 3HB GLU 3 14.853 -25.823 4.126 27 HG2 GLU 3 2HG GLU 3 16.151 -23.803 4.041 28 HG3 GLU 3 3HG GLU 3 14.718 -22.827 3.723 29 HA PRO 4 HA PRO 4 12.116 -22.074 0.117 30 HB2 PRO 4 2HB PRO 4 9.439 -22.313 0.569 31 HB3 PRO 4 3HB PRO 4 10.283 -23.341 -0.607 32 HG2 PRO 4 2HG PRO 4 9.412 -23.999 2.185 33 HG3 PRO 4 3HG PRO 4 9.333 -24.999 0.717 34 HD2 PRO 4 2HD PRO 4 11.310 -25.250 2.633 35 HD3 PRO 4 3HD PRO 4 11.515 -25.713 0.930 36 H ILE 5 H ILE 5 12.457 -20.155 1.045 37 HA ILE 5 HA ILE 5 11.344 -19.493 3.729 38 HB ILE 5 HB ILE 5 13.209 -17.790 3.910 39 HG12 ILE 5 2HG1 ILE 5 14.336 -19.222 1.455 40 HG13 ILE 5 3HG1 ILE 5 13.739 -17.569 1.488 41 HG21 ILE 5 1HG2 ILE 5 14.133 -20.672 3.635 42 HG22 ILE 5 2HG2 ILE 5 13.392 -19.951 5.065 43 HG23 ILE 5 3HG2 ILE 5 14.981 -19.400 4.522 44 HD11 ILE 5 3HD1 ILE 5 15.559 -16.951 3.001 45 HD12 ILE 5 1HD1 ILE 5 16.153 -17.630 1.489 46 HD13 ILE 5 2HD1 ILE 5 16.159 -18.604 2.956 47 H LYS 6 H LYS 6 11.028 -17.061 4.000 48 HA LYS 6 HA LYS 6 10.614 -15.440 1.682 49 HB2 LYS 6 2HB LYS 6 8.239 -15.197 1.644 50 HB3 LYS 6 3HB LYS 6 8.544 -16.924 1.618 51 HG2 LYS 6 2HG LYS 6 7.722 -15.362 4.095 52 HG3 LYS 6 3HG LYS 6 6.605 -16.236 3.052 53 HD2 LYS 6 2HD LYS 6 8.898 -17.497 4.617 54 HD3 LYS 6 3HD LYS 6 7.208 -17.511 5.119 55 HE2 LYS 6 2HE LYS 6 6.613 -18.870 3.165 56 HE3 LYS 6 3HE LYS 6 8.274 -18.773 2.573 57 HZ1 LYS 6 3HZ LYS 6 7.467 -20.053 5.132 58 HZ2 LYS 6 1HZ LYS 6 9.024 -20.005 4.484 59 HZ3 LYS 6 2HZ LYS 6 7.812 -20.876 3.701 60 H ARG 7 H ARG 7 10.550 -13.328 2.184 61 HA ARG 7 HA ARG 7 10.190 -12.405 4.964 62 HB2 ARG 7 2HB ARG 7 11.196 -11.025 2.438 63 HB3 ARG 7 3HB ARG 7 10.972 -10.208 3.981 64 HG2 ARG 7 2HG ARG 7 12.713 -11.606 4.997 65 HG3 ARG 7 3HG ARG 7 12.920 -12.475 3.473 66 HD2 ARG 7 2HD ARG 7 13.637 -10.416 2.355 67 HD3 ARG 7 3HD ARG 7 13.362 -9.492 3.835 68 HE ARG 7 HE ARG 7 15.144 -11.149 4.767 69 HH11 ARG 7 2HH1 ARG 7 15.167 -9.684 1.569 70 HH12 ARG 7 1HH1 ARG 7 16.895 -9.693 1.452 71 HH21 ARG 7 1HH2 ARG 7 17.404 -11.167 4.589 72 HH22 ARG 7 2HH2 ARG 7 18.169 -10.533 3.164 73 H THR 8 H THR 8 8.852 -10.311 5.117 74 HA THR 8 HA THR 8 6.764 -9.996 3.065 75 HB THR 8 HB THR 8 6.129 -10.453 6.024 76 HG1 THR 8 HG1 THR 8 6.215 -12.124 3.844 77 HG21 THR 8 3HG2 THR 8 3.750 -10.265 5.362 78 HG22 THR 8 1HG2 THR 8 4.236 -9.864 3.706 79 HG23 THR 8 2HG2 THR 8 4.605 -8.763 5.031 80 H GLN 9 H GLN 9 6.923 -7.910 2.522 81 HA GLN 9 HA GLN 9 7.050 -5.812 4.619 82 HB2 GLN 9 2HB GLN 9 8.911 -5.722 2.938 83 HB3 GLN 9 3HB GLN 9 7.723 -5.596 1.644 84 HG2 GLN 9 2HG GLN 9 8.668 -3.405 2.131 85 HG3 GLN 9 3HG GLN 9 6.957 -3.424 2.559 86 HE21 GLN 9 1HE2 GLN 9 10.215 -3.247 3.805 87 HE22 GLN 9 2HE2 GLN 9 9.796 -2.866 5.432 88 H VAL 10 H VAL 10 5.156 -4.757 4.942 89 HA VAL 10 HA VAL 10 3.053 -4.915 2.864 90 HB VAL 10 HB VAL 10 1.390 -4.442 4.585 91 HG11 VAL 10 1HG1 VAL 10 1.575 -6.537 5.914 92 HG12 VAL 10 2HG1 VAL 10 3.264 -6.689 5.423 93 HG13 VAL 10 3HG1 VAL 10 1.980 -6.784 4.214 94 HG21 VAL 10 3HG2 VAL 10 1.951 -4.295 7.007 95 HG22 VAL 10 1HG2 VAL 10 2.651 -2.961 6.088 96 HG23 VAL 10 2HG2 VAL 10 3.671 -4.303 6.607 97 H VAL 11 H VAL 11 2.342 -3.123 1.894 98 HA VAL 11 HA VAL 11 3.365 -0.482 2.780 99 HB VAL 11 HB VAL 11 2.436 -1.356 -0.000 100 HG11 VAL 11 1HG1 VAL 11 1.903 1.018 0.416 101 HG12 VAL 11 2HG1 VAL 11 3.189 0.864 -0.780 102 HG13 VAL 11 3HG1 VAL 11 3.578 1.329 0.877 103 HG21 VAL 11 3HG2 VAL 11 4.808 -1.105 -0.651 104 HG22 VAL 11 1HG2 VAL 11 4.619 -2.318 0.617 105 HG23 VAL 11 2HG2 VAL 11 5.235 -0.713 1.016 106 H THR 12 H THR 12 1.907 0.775 3.672 107 HA THR 12 HA THR 12 -0.954 0.034 3.589 108 HB THR 12 HB THR 12 -0.920 1.294 5.876 109 HG1 THR 12 HG1 THR 12 0.981 2.225 6.180 110 HG21 THR 12 3HG2 THR 12 -0.098 -0.677 7.100 111 HG22 THR 12 1HG2 THR 12 0.668 -1.288 5.634 112 HG23 THR 12 2HG2 THR 12 -1.092 -1.167 5.728 113 H GLN 13 H GLN 13 -2.060 1.420 2.299 114 HA GLN 13 HA GLN 13 -1.538 4.315 2.368 115 HB2 GLN 13 2HB GLN 13 -3.284 2.503 0.709 116 HB3 GLN 13 3HB GLN 13 -3.866 4.139 0.954 117 HG2 GLN 13 2HG GLN 13 -1.094 3.581 -0.113 118 HG3 GLN 13 3HG GLN 13 -2.511 3.676 -1.159 119 HE21 GLN 13 1HE2 GLN 13 -1.732 5.509 -2.237 120 HE22 GLN 13 2HE2 GLN 13 -1.677 7.066 -1.498 121 H THR 14 H THR 14 -2.153 5.250 4.244 122 HA THR 14 HA THR 14 -4.540 4.374 5.706 123 HB THR 14 HB THR 14 -3.900 6.324 7.258 124 HG1 THR 14 HG1 THR 14 -2.640 7.351 5.477 125 HG21 THR 14 3HG2 THR 14 -1.710 4.287 6.751 126 HG22 THR 14 1HG2 THR 14 -3.127 4.042 7.773 127 HG23 THR 14 2HG2 THR 14 -1.922 5.254 8.213 128 H ILE 15 H ILE 15 -6.404 4.937 4.657 129 HA ILE 15 HA ILE 15 -6.720 7.617 3.497 130 HB ILE 15 HB ILE 15 -8.649 5.241 3.392 131 HG12 ILE 15 2HG1 ILE 15 -8.281 5.364 0.929 132 HG13 ILE 15 3HG1 ILE 15 -7.146 6.677 1.155 133 HG21 ILE 15 1HG2 ILE 15 -9.032 8.047 2.247 134 HG22 ILE 15 2HG2 ILE 15 -9.955 7.327 3.567 135 HG23 ILE 15 3HG2 ILE 15 -10.091 6.669 1.938 136 HD11 ILE 15 3HD1 ILE 15 -5.603 5.153 2.271 137 HD12 ILE 15 1HD1 ILE 15 -6.037 4.574 0.663 138 HD13 ILE 15 2HD1 ILE 15 -6.763 3.832 2.089 139 H HIS 16 H HIS 16 -7.415 9.178 4.665 140 HA HIS 16 HA HIS 16 -9.512 8.741 6.683 141 HB2 HIS 16 2HB HIS 16 -8.615 10.658 7.980 142 HB3 HIS 16 3HB HIS 16 -7.528 9.284 7.929 143 HD1 HIS 16 HD1 HIS 16 -7.358 12.735 7.926 144 HD2 HIS 16 HD2 HIS 16 -5.515 9.829 5.612 145 HE1 HIS 16 HE1 HIS 16 -5.253 13.788 7.083 146 HE2 HIS 16 HE2 HIS 16 -4.295 12.101 5.512 147 H TYR 17 H TYR 17 -11.178 9.907 6.502 148 HA TYR 17 HA TYR 17 -11.601 11.461 4.063 149 HB2 TYR 17 2HB TYR 17 -13.574 10.336 6.106 150 HB3 TYR 17 3HB TYR 17 -13.985 11.007 4.535 151 HD1 TYR 17 HD1 TYR 17 -13.453 9.731 2.449 152 HD2 TYR 17 HD2 TYR 17 -12.662 8.059 6.287 153 HE1 TYR 17 HE1 TYR 17 -13.134 7.522 1.427 154 HE2 TYR 17 HE2 TYR 17 -12.371 5.850 5.262 155 HH TYR 17 HH TYR 17 -12.102 5.425 1.854 156 H ARG 18 H ARG 18 -11.613 13.640 4.185 157 HA ARG 18 HA ARG 18 -12.617 15.013 6.608 158 HB2 ARG 18 2HB ARG 18 -10.132 15.914 5.068 159 HB3 ARG 18 3HB ARG 18 -10.881 16.745 6.425 160 HG2 ARG 18 2HG ARG 18 -10.359 14.470 7.694 161 HG3 ARG 18 3HG ARG 18 -9.165 14.286 6.410 162 HD2 ARG 18 2HD ARG 18 -9.392 16.570 8.381 163 HD3 ARG 18 3HD ARG 18 -8.132 15.332 8.342 164 HE ARG 18 HE ARG 18 -7.698 16.381 5.980 165 HH11 ARG 18 1HH1 ARG 18 -8.483 18.180 8.921 166 HH12 ARG 18 2HH1 ARG 18 -7.616 19.597 8.411 167 HH21 ARG 18 1HH2 ARG 18 -6.564 18.243 5.352 168 HH22 ARG 18 2HH2 ARG 18 -6.533 19.634 6.394 169 H TYR 19 H TYR 19 -13.311 17.227 6.139 170 HA TYR 19 HA TYR 19 -14.390 17.612 3.440 171 HB2 TYR 19 2HB TYR 19 -14.818 19.235 5.992 172 HB3 TYR 19 3HB TYR 19 -15.686 19.451 4.474 173 HD1 TYR 19 HD2 TYR 19 -15.223 17.194 7.379 174 HD2 TYR 19 HD1 TYR 19 -17.551 17.982 3.879 175 HE1 TYR 19 HE2 TYR 19 -16.888 15.561 8.127 176 HE2 TYR 19 HE1 TYR 19 -19.217 16.338 4.644 177 HH TYR 19 HH TYR 19 -19.188 15.013 7.796 178 H GLU 20 H GLU 20 -14.265 19.920 2.625 179 HA GLU 20 HA GLU 20 -11.631 20.961 2.443 180 HB2 GLU 20 2HB GLU 20 -12.700 22.903 1.281 181 HB3 GLU 20 3HB GLU 20 -13.228 21.354 0.630 182 HG2 GLU 20 2HG GLU 20 -15.389 21.551 1.558 183 HG3 GLU 20 3HG GLU 20 -14.881 22.759 2.732 184 H ASP 21 H ASP 21 -14.261 21.504 4.617 185 HA ASP 21 HA ASP 21 -13.514 23.932 5.863 186 HB2 ASP 21 2HB ASP 21 -15.750 23.001 6.065 187 HB3 ASP 21 3HB ASP 21 -15.136 21.526 6.796 188 H GLY 22 H GLY 22 -12.149 20.759 6.051 189 HA2 GLY 22 2HA GLY 22 -10.078 20.260 7.092 190 HA3 GLY 22 3HA GLY 22 -10.361 21.531 8.274 191 H ALA 23 H ALA 23 -13.235 20.439 8.466 192 HA ALA 23 HA ALA 23 -13.087 18.879 10.758 193 HB1 ALA 23 3HB ALA 23 -15.122 20.085 10.045 194 HB2 ALA 23 1HB ALA 23 -15.482 18.384 10.350 195 HB3 ALA 23 2HB ALA 23 -15.319 18.970 8.687 196 H VAL 24 H VAL 24 -13.026 16.660 11.146 197 HA VAL 24 HA VAL 24 -12.168 14.970 8.908 198 HB VAL 24 HB VAL 24 -12.208 14.309 11.894 199 HG11 VAL 24 1HG1 VAL 24 -10.626 12.502 11.275 200 HG12 VAL 24 2HG1 VAL 24 -10.818 12.916 9.571 201 HG13 VAL 24 3HG1 VAL 24 -12.194 12.301 10.490 202 HG21 VAL 24 3HG2 VAL 24 -10.725 16.229 11.472 203 HG22 VAL 24 1HG2 VAL 24 -9.886 15.330 10.205 204 HG23 VAL 24 2HG2 VAL 24 -9.781 14.798 11.885 205 H ALA 25 H ALA 25 -13.810 14.063 7.808 206 HA ALA 25 HA ALA 25 -16.347 13.286 8.808 207 HB1 ALA 25 3HB ALA 25 -16.595 12.041 6.689 208 HB2 ALA 25 1HB ALA 25 -14.875 12.267 6.353 209 HB3 ALA 25 2HB ALA 25 -15.952 13.660 6.413 210 H HIS 26 H HIS 26 -13.438 11.353 8.045 211 HA HIS 26 HA HIS 26 -13.798 9.583 10.314 212 HB2 HIS 26 2HB HIS 26 -13.993 8.576 7.461 213 HB3 HIS 26 3HB HIS 26 -13.437 7.521 8.751 214 HD1 HIS 26 HD1 HIS 26 -15.235 6.980 10.634 215 HD2 HIS 26 HD2 HIS 26 -16.699 8.785 7.190 216 HE1 HIS 26 HE1 HIS 26 -17.716 6.598 10.667 217 HE2 HIS 26 HE2 HIS 26 -18.581 7.918 8.726 218 H ASP 27 H ASP 27 -11.952 8.039 10.479 219 HA ASP 27 HA ASP 27 -9.512 8.465 9.034 220 HB2 ASP 27 2HB ASP 27 -9.256 10.452 10.440 221 HB3 ASP 27 3HB ASP 27 -9.731 9.568 11.883 222 H ASP 28 H ASP 28 -9.875 6.225 8.723 223 HA ASP 28 HA ASP 28 -8.931 4.418 10.691 224 HB2 ASP 28 2HB ASP 28 -11.046 3.199 11.247 225 HB3 ASP 28 3HB ASP 28 -11.055 4.854 11.838 226 H HIS 29 H HIS 29 -9.651 5.038 7.464 227 HA HIS 29 HA HIS 29 -10.070 2.176 6.805 228 HB2 HIS 29 2HB HIS 29 -10.796 4.715 5.323 229 HB3 HIS 29 3HB HIS 29 -10.529 3.229 4.415 230 HD1 HIS 29 HD1 HIS 29 -13.194 3.869 3.945 231 HD2 HIS 29 HD2 HIS 29 -12.231 2.185 7.620 232 HE1 HIS 29 HE1 HIS 29 -15.343 2.936 4.839 233 HE2 HIS 29 HE2 HIS 29 -14.771 2.141 7.145 234 H VAL 30 H VAL 30 -7.928 1.632 7.250 235 HA VAL 30 HA VAL 30 -5.833 2.561 5.411 236 HB VAL 30 HB VAL 30 -5.624 0.489 7.669 237 HG11 VAL 30 1HG1 VAL 30 -3.196 0.951 7.570 238 HG12 VAL 30 2HG1 VAL 30 -3.451 2.066 6.226 239 HG13 VAL 30 3HG1 VAL 30 -3.800 0.347 6.025 240 HG21 VAL 30 3HG2 VAL 30 -6.386 2.633 8.612 241 HG22 VAL 30 1HG2 VAL 30 -5.041 3.477 7.840 242 HG23 VAL 30 2HG2 VAL 30 -4.730 2.290 9.109 243 H VAL 31 H VAL 31 -5.343 1.385 3.600 244 HA VAL 31 HA VAL 31 -6.202 -1.440 3.403 245 HB VAL 31 HB VAL 31 -7.245 -0.159 1.633 246 HG11 VAL 31 1HG1 VAL 31 -6.034 1.151 -0.057 247 HG12 VAL 31 2HG1 VAL 31 -4.513 0.858 0.797 248 HG13 VAL 31 3HG1 VAL 31 -5.790 1.809 1.563 249 HG21 VAL 31 3HG2 VAL 31 -6.439 -1.348 -0.373 250 HG22 VAL 31 1HG2 VAL 31 -6.442 -2.420 1.027 251 HG23 VAL 31 2HG2 VAL 31 -4.924 -1.735 0.444 252 H SER 32 H SER 32 -4.633 -2.830 3.669 253 HA SER 32 HA SER 32 -1.793 -2.082 3.385 254 HB2 SER 32 2HB SER 32 -3.029 -4.399 4.943 255 HB3 SER 32 3HB SER 32 -1.343 -3.886 4.990 256 HG SER 32 HG SER 32 -2.041 -2.789 6.658 257 H LEU 33 H LEU 33 -0.709 -3.002 1.743 258 HA LEU 33 HA LEU 33 -1.764 -5.434 0.415 259 HB2 LEU 33 2HB LEU 33 0.082 -3.252 -0.624 260 HB3 LEU 33 3HB LEU 33 -0.315 -4.722 -1.506 261 HG LEU 33 HG LEU 33 -2.309 -2.577 -0.685 262 HD11 LEU 33 1HD1 LEU 33 -0.774 -1.855 -2.453 263 HD12 LEU 33 2HD1 LEU 33 -2.426 -2.009 -3.036 264 HD13 LEU 33 3HD1 LEU 33 -1.237 -3.249 -3.431 265 HD21 LEU 33 3HD2 LEU 33 -3.945 -3.812 -2.072 266 HD22 LEU 33 1HD2 LEU 33 -3.384 -4.779 -0.708 267 HD23 LEU 33 2HD2 LEU 33 -2.762 -5.097 -2.328 268 H ILE 34 H ILE 34 -0.559 -7.248 0.380 269 HA ILE 34 HA ILE 34 1.821 -7.310 2.112 270 HB ILE 34 HB ILE 34 -0.124 -9.498 1.223 271 HG12 ILE 34 2HG1 ILE 34 -0.462 -9.738 3.764 272 HG13 ILE 34 3HG1 ILE 34 0.467 -8.265 3.961 273 HG21 ILE 34 1HG2 ILE 34 2.118 -10.492 1.232 274 HG22 ILE 34 2HG2 ILE 34 1.185 -11.113 2.592 275 HG23 ILE 34 3HG2 ILE 34 2.415 -9.880 2.862 276 HD11 ILE 34 3HD1 ILE 34 -1.930 -7.869 4.133 277 HD12 ILE 34 1HD1 ILE 34 -2.170 -8.499 2.504 278 HD13 ILE 34 2HD1 ILE 34 -1.250 -7.013 2.751 279 H PHE 35 H PHE 35 3.734 -7.305 1.093 280 HA PHE 35 HA PHE 35 4.085 -8.617 -1.544 281 HB2 PHE 35 2HB PHE 35 5.888 -6.596 -0.120 282 HB3 PHE 35 3HB PHE 35 6.173 -7.285 -1.716 283 HD1 PHE 35 HD2 PHE 35 3.828 -5.098 0.221 284 HD2 PHE 35 HD1 PHE 35 5.188 -6.303 -3.654 285 HE1 PHE 35 HE2 PHE 35 2.578 -3.242 -0.803 286 HE2 PHE 35 HE1 PHE 35 3.930 -4.445 -4.662 287 HZ PHE 35 HZ PHE 35 2.631 -2.910 -3.241 288 H THR 36 H THR 36 4.591 -10.679 -1.155 289 HA THR 36 HA THR 36 6.232 -11.487 1.149 290 HB THR 36 HB THR 36 4.716 -13.201 -0.879 291 HG1 THR 36 HG1 THR 36 3.292 -11.900 0.313 292 HG21 THR 36 3HG2 THR 36 5.841 -13.918 1.865 293 HG22 THR 36 1HG2 THR 36 6.505 -14.446 0.320 294 HG23 THR 36 2HG2 THR 36 4.902 -14.988 0.820 295 H GLN 37 H GLN 37 8.397 -11.222 0.661 296 HA GLN 37 HA GLN 37 9.463 -11.811 -1.969 297 HB2 GLN 37 2HB GLN 37 10.418 -9.997 -0.550 298 HB3 GLN 37 3HB GLN 37 10.968 -11.204 0.610 299 HG2 GLN 37 2HG GLN 37 12.466 -12.174 -1.084 300 HG3 GLN 37 3HG GLN 37 11.859 -11.034 -2.287 301 HE21 GLN 37 1HE2 GLN 37 12.466 -8.830 -2.126 302 HE22 GLN 37 2HE2 GLN 37 13.827 -8.339 -1.186 303 H SER 38 H SER 38 8.754 -13.995 -2.166 304 HA SER 38 HA SER 38 9.774 -16.017 -0.402 305 HB2 SER 38 2HB SER 38 8.968 -17.605 -2.180 306 HB3 SER 38 3HB SER 38 7.734 -16.489 -1.612 307 HG SER 38 HG SER 38 8.096 -16.883 -4.011 308 H GLY 39 H GLY 39 11.622 -17.021 -0.485 309 HA2 GLY 39 2HA GLY 39 13.352 -17.061 -2.879 310 HA3 GLY 39 3HA GLY 39 14.004 -16.490 -1.337 311 H LYS 40 H LYS 40 15.507 -18.298 -1.627 312 HA LYS 40 HA LYS 40 14.449 -20.731 -0.383 313 HB2 LYS 40 2HB LYS 40 15.556 -22.190 -2.043 314 HB3 LYS 40 3HB LYS 40 14.302 -21.210 -2.769 315 HG2 LYS 40 2HG LYS 40 15.920 -21.044 -4.394 316 HG3 LYS 40 3HG LYS 40 16.334 -19.634 -3.422 317 HD2 LYS 40 2HD LYS 40 18.126 -20.928 -2.303 318 HD3 LYS 40 3HD LYS 40 17.692 -22.358 -3.240 319 HE2 LYS 40 2HE LYS 40 18.746 -19.740 -4.355 320 HE3 LYS 40 3HE LYS 40 19.657 -21.239 -4.197 321 HZ1 LYS 40 3HZ LYS 40 18.885 -20.920 -6.440 322 HZ2 LYS 40 1HZ LYS 40 17.282 -20.815 -5.919 323 HZ3 LYS 40 2HZ LYS 40 18.125 -22.271 -5.764 324 H ARG 41 H ARG 41 15.970 -21.824 0.883 325 HA ARG 41 HA ARG 41 18.430 -20.290 1.471 326 HB2 ARG 41 2HB ARG 41 16.746 -20.207 3.285 327 HB3 ARG 41 3HB ARG 41 16.705 -21.959 3.348 328 HG2 ARG 41 2HG ARG 41 19.121 -21.936 4.023 329 HG3 ARG 41 3HG ARG 41 19.045 -20.174 4.071 330 HD2 ARG 41 2HD ARG 41 17.417 -22.079 5.779 331 HD3 ARG 41 3HD ARG 41 18.805 -21.136 6.313 332 HE ARG 41 HE ARG 41 16.903 -19.365 5.265 333 HH11 ARG 41 2HH1 ARG 41 17.190 -21.494 8.061 334 HH12 ARG 41 1HH1 ARG 41 16.153 -20.513 9.049 335 HH21 ARG 41 1HH2 ARG 41 15.596 -18.074 6.581 336 HH22 ARG 41 2HH2 ARG 41 15.247 -18.568 8.210 337 H ASP 42 H ASP 42 20.228 -21.332 1.008 338 HA ASP 42 HA ASP 42 20.495 -24.156 0.548 339 HB2 ASP 42 2HB ASP 42 21.910 -22.495 -0.606 340 HB3 ASP 42 3HB ASP 42 22.519 -21.904 0.921 341 H LEU 43 H LEU 43 20.713 -25.641 2.144 342 HA LEU 43 HA LEU 43 20.846 -24.731 4.905 343 HB2 LEU 43 2HB LEU 43 20.394 -27.489 3.698 344 HB3 LEU 43 3HB LEU 43 20.349 -27.146 5.423 345 HG LEU 43 HG LEU 43 18.479 -25.932 3.348 346 HD11 LEU 43 1HD1 LEU 43 17.907 -28.045 5.448 347 HD12 LEU 43 2HD1 LEU 43 17.987 -28.294 3.703 348 HD13 LEU 43 3HD1 LEU 43 16.714 -27.286 4.387 349 HD21 LEU 43 3HD2 LEU 43 18.876 -24.356 5.156 350 HD22 LEU 43 1HD2 LEU 43 18.521 -25.595 6.366 351 HD23 LEU 43 2HD2 LEU 43 17.249 -25.014 5.289 352 H THR 44 H THR 44 23.096 -26.197 2.649 353 HA THR 44 HA THR 44 24.711 -27.505 4.653 354 HB THR 44 HB THR 44 24.736 -28.493 2.459 355 HG1 THR 44 HG1 THR 44 26.919 -27.939 3.754 356 HG21 THR 44 3HG2 THR 44 24.286 -26.530 1.056 357 HG22 THR 44 1HG2 THR 44 25.693 -27.420 0.469 358 HG23 THR 44 2HG2 THR 44 25.913 -25.921 1.372 359 H ASN 45 H ASN 45 25.064 -24.496 2.775 360 HA ASN 45 HA ASN 45 27.241 -23.523 4.483 361 HB2 ASN 45 2HB ASN 45 27.148 -22.946 2.034 362 HB3 ASN 45 3HB ASN 45 25.676 -22.023 2.317 363 HD21 ASN 45 1HD2 ASN 45 25.852 -20.075 3.610 364 HD22 ASN 45 2HD2 ASN 45 27.357 -19.238 3.729 365 H GLY 46 H GLY 46 23.755 -23.248 4.158 366 HA2 GLY 46 2HA GLY 46 22.186 -22.523 5.687 367 HA3 GLY 46 3HA GLY 46 23.468 -22.063 6.799 368 H LYS 47 H LYS 47 23.065 -21.073 3.439 369 HA LYS 47 HA LYS 47 22.938 -18.238 4.263 370 HB2 LYS 47 2HB LYS 47 23.734 -17.739 1.949 371 HB3 LYS 47 3HB LYS 47 24.876 -18.713 2.862 372 HG2 LYS 47 2HG LYS 47 24.271 -20.700 1.638 373 HG3 LYS 47 3HG LYS 47 22.946 -19.865 0.828 374 HD2 LYS 47 2HD LYS 47 25.905 -19.219 0.495 375 HD3 LYS 47 3HD LYS 47 24.920 -20.130 -0.651 376 HE2 LYS 47 2HE LYS 47 23.483 -18.133 -0.989 377 HE3 LYS 47 3HE LYS 47 24.495 -17.226 0.137 378 HZ1 LYS 47 3HZ LYS 47 25.359 -18.384 -2.456 379 HZ2 LYS 47 1HZ LYS 47 26.372 -17.582 -1.365 380 HZ3 LYS 47 2HZ LYS 47 25.115 -16.745 -2.119 381 H GLU 48 H GLU 48 21.314 -16.922 3.492 382 HA GLU 48 HA GLU 48 18.953 -18.222 2.293 383 HB2 GLU 48 2HB GLU 48 19.324 -15.518 3.644 384 HB3 GLU 48 3HB GLU 48 17.797 -16.094 2.975 385 HG2 GLU 48 2HG GLU 48 17.817 -17.981 4.566 386 HG3 GLU 48 3HG GLU 48 19.333 -17.387 5.226 387 H ILE 49 H ILE 49 18.829 -18.089 0.162 388 HA ILE 49 HA ILE 49 20.206 -15.956 -1.332 389 HB ILE 49 HB ILE 49 18.813 -18.441 -2.473 390 HG12 ILE 49 2HG1 ILE 49 21.291 -19.092 -3.048 391 HG13 ILE 49 3HG1 ILE 49 21.745 -17.925 -1.816 392 HG21 ILE 49 1HG2 ILE 49 20.566 -16.371 -3.869 393 HG22 ILE 49 2HG2 ILE 49 18.825 -16.566 -4.073 394 HG23 ILE 49 3HG2 ILE 49 19.923 -17.835 -4.617 395 HD11 ILE 49 3HD1 ILE 49 20.537 -19.221 -0.136 396 HD12 ILE 49 1HD1 ILE 49 21.749 -20.200 -0.962 397 HD13 ILE 49 2HD1 ILE 49 20.043 -20.379 -1.376 398 H TRP 50 H TRP 50 19.017 -14.173 -1.689 399 HA TRP 50 HA TRP 50 16.144 -14.395 -2.386 400 HB2 TRP 50 2HB TRP 50 17.611 -11.889 -1.404 401 HB3 TRP 50 3HB TRP 50 15.872 -12.112 -1.576 402 HD1 TRP 50 HD1 TRP 50 18.710 -12.595 0.873 403 HE1 TRP 50 HE1 TRP 50 17.787 -13.504 3.087 404 HE3 TRP 50 HE3 TRP 50 13.960 -13.797 -0.623 405 HZ2 TRP 50 HZ2 TRP 50 15.401 -14.567 4.089 406 HZ3 TRP 50 HZ3 TRP 50 12.430 -14.775 1.034 407 HH2 TRP 50 HH2 TRP 50 13.133 -15.153 3.340 408 H ASP 51 H ASP 51 15.636 -13.701 -4.430 409 HA ASP 51 HA ASP 51 17.760 -13.300 -6.331 410 HB2 ASP 51 2HB ASP 51 15.690 -14.629 -6.839 411 HB3 ASP 51 3HB ASP 51 14.731 -13.155 -6.746 412 H SER 52 H SER 52 18.525 -11.399 -7.050 413 HA SER 52 HA SER 52 17.867 -8.935 -5.794 414 HB2 SER 52 2HB SER 52 20.169 -9.521 -6.544 415 HB3 SER 52 3HB SER 52 19.640 -9.435 -8.226 416 HG SER 52 HG SER 52 19.092 -7.224 -7.817 417 H LYS 53 H LYS 53 16.903 -10.394 -8.847 418 HA LYS 53 HA LYS 53 15.794 -7.915 -9.933 419 HB2 LYS 53 2HB LYS 53 15.585 -10.716 -11.116 420 HB3 LYS 53 3HB LYS 53 15.203 -9.195 -11.915 421 HG2 LYS 53 2HG LYS 53 17.283 -9.581 -12.814 422 HG3 LYS 53 3HG LYS 53 17.753 -8.639 -11.407 423 HD2 LYS 53 2HD LYS 53 19.237 -10.546 -11.588 424 HD3 LYS 53 3HD LYS 53 18.203 -10.781 -10.176 425 HE2 LYS 53 2HE LYS 53 16.739 -12.271 -11.572 426 HE3 LYS 53 3HE LYS 53 17.887 -12.100 -12.900 427 HZ1 LYS 53 3HZ LYS 53 19.592 -13.058 -11.434 428 HZ2 LYS 53 1HZ LYS 53 18.309 -14.124 -11.717 429 HZ3 LYS 53 2HZ LYS 53 18.420 -13.309 -10.243 430 H TRP 54 H TRP 54 14.747 -10.000 -7.606 431 HA TRP 54 HA TRP 54 12.071 -10.569 -8.192 432 HB2 TRP 54 2HB TRP 54 13.251 -11.512 -6.234 433 HB3 TRP 54 3HB TRP 54 13.377 -9.920 -5.501 434 HD1 TRP 54 HD1 TRP 54 10.971 -12.839 -5.908 435 HE1 TRP 54 HE1 TRP 54 8.878 -12.410 -4.482 436 HE3 TRP 54 HE3 TRP 54 11.832 -7.989 -4.564 437 HZ2 TRP 54 HZ2 TRP 54 7.746 -10.330 -3.000 438 HZ3 TRP 54 HZ3 TRP 54 10.197 -6.841 -3.143 439 HH2 TRP 54 HH2 TRP 54 8.185 -7.994 -2.374 440 H SER 55 H SER 55 10.259 -9.343 -8.296 441 HA SER 55 HA SER 55 9.907 -6.965 -6.703 442 HB2 SER 55 2HB SER 55 9.282 -5.536 -8.676 443 HB3 SER 55 3HB SER 55 10.983 -5.985 -8.664 444 HG SER 55 HG SER 55 10.142 -7.819 -10.076 445 H LEU 56 H LEU 56 7.863 -7.078 -5.890 446 HA LEU 56 HA LEU 56 5.882 -8.921 -7.139 447 HB2 LEU 56 2HB LEU 56 6.831 -9.215 -4.717 448 HB3 LEU 56 3HB LEU 56 5.816 -7.868 -4.282 449 HG LEU 56 HG LEU 56 4.866 -10.066 -3.642 450 HD11 LEU 56 1HD1 LEU 56 3.141 -8.662 -5.699 451 HD12 LEU 56 2HD1 LEU 56 3.321 -8.211 -4.002 452 HD13 LEU 56 3HD1 LEU 56 2.587 -9.754 -4.426 453 HD21 LEU 56 3HD2 LEU 56 4.683 -10.654 -6.616 454 HD22 LEU 56 1HD2 LEU 56 4.022 -11.651 -5.316 455 HD23 LEU 56 2HD2 LEU 56 5.765 -11.439 -5.465 456 H THR 57 H THR 57 3.914 -8.054 -7.783 457 HA THR 57 HA THR 57 3.584 -5.118 -7.578 458 HB THR 57 HB THR 57 2.317 -7.021 -9.611 459 HG1 THR 57 HG1 THR 57 4.583 -5.339 -10.012 460 HG21 THR 57 3HG2 THR 57 1.166 -4.838 -9.357 461 HG22 THR 57 1HG2 THR 57 1.951 -4.979 -10.925 462 HG23 THR 57 2HG2 THR 57 2.695 -4.003 -9.655 463 H GLN 58 H GLN 58 1.964 -4.423 -6.261 464 HA GLN 58 HA GLN 58 -0.521 -6.022 -5.937 465 HB2 GLN 58 2HB GLN 58 0.954 -4.423 -3.803 466 HB3 GLN 58 3HB GLN 58 -0.669 -5.058 -3.602 467 HG2 GLN 58 2HG GLN 58 1.773 -6.785 -4.057 468 HG3 GLN 58 3HG GLN 58 1.134 -6.374 -2.471 469 HE21 GLN 58 1HE2 GLN 58 0.634 -8.247 -5.344 470 HE22 GLN 58 2HE2 GLN 58 -0.658 -9.214 -4.724 471 H THR 59 H THR 59 -2.374 -4.836 -6.237 472 HA THR 59 HA THR 59 -2.099 -2.036 -7.123 473 HB THR 59 HB THR 59 -4.404 -4.013 -7.486 474 HG1 THR 59 HG1 THR 59 -2.715 -3.069 -9.548 475 HG21 THR 59 3HG2 THR 59 -5.203 -1.665 -7.583 476 HG22 THR 59 1HG2 THR 59 -5.266 -2.425 -9.171 477 HG23 THR 59 2HG2 THR 59 -3.964 -1.294 -8.788 478 H PHE 60 H PHE 60 -2.545 -0.470 -5.601 479 HA PHE 60 HA PHE 60 -4.398 -0.825 -3.418 480 HB2 PHE 60 2HB PHE 60 -3.048 1.644 -4.570 481 HB3 PHE 60 3HB PHE 60 -4.275 1.779 -3.320 482 HD1 PHE 60 HD1 PHE 60 -3.884 0.339 -1.159 483 HD2 PHE 60 HD2 PHE 60 -0.794 1.431 -3.896 484 HE1 PHE 60 HE1 PHE 60 -2.195 -0.017 0.593 485 HE2 PHE 60 HE2 PHE 60 0.892 1.073 -2.136 486 HZ PHE 60 HZ PHE 60 0.185 0.347 0.105 487 H GLU 61 H GLU 61 -6.501 -0.837 -3.574 488 HA GLU 61 HA GLU 61 -8.142 0.889 -5.124 489 HB2 GLU 61 2HB GLU 61 -9.128 -0.765 -6.666 490 HB3 GLU 61 3HB GLU 61 -7.405 -0.601 -6.991 491 HG2 GLU 61 2HG GLU 61 -6.913 -2.707 -5.919 492 HG3 GLU 61 3HG GLU 61 -8.554 -2.849 -5.291 493 H ALA 62 H ALA 62 -10.474 -0.585 -5.222 494 HA ALA 62 HA ALA 62 -12.138 -1.686 -4.175 495 HB1 ALA 62 3HB ALA 62 -10.543 -3.573 -4.141 496 HB2 ALA 62 1HB ALA 62 -11.613 -3.598 -2.736 497 HB3 ALA 62 2HB ALA 62 -9.947 -3.040 -2.569 498 H LEU 63 H LEU 63 -10.945 0.865 -3.022 499 HA LEU 63 HA LEU 63 -12.515 0.866 -0.547 500 HB2 LEU 63 2HB LEU 63 -10.163 0.508 0.126 501 HB3 LEU 63 3HB LEU 63 -9.682 1.954 -0.744 502 HG LEU 63 HG LEU 63 -10.953 3.368 0.825 503 HD11 LEU 63 1HD1 LEU 63 -12.811 1.865 1.351 504 HD12 LEU 63 2HD1 LEU 63 -12.047 2.449 2.826 505 HD13 LEU 63 3HD1 LEU 63 -11.729 0.806 2.262 506 HD21 LEU 63 3HD2 LEU 63 -9.588 3.022 2.842 507 HD22 LEU 63 1HD2 LEU 63 -8.625 2.844 1.378 508 HD23 LEU 63 2HD2 LEU 63 -9.136 1.412 2.275 509 HA PRO 64 HA PRO 64 -13.610 4.707 -2.808 510 HB2 PRO 64 2HB PRO 64 -16.286 4.491 -2.626 511 HB3 PRO 64 3HB PRO 64 -15.378 3.429 -3.724 512 HG2 PRO 64 2HG PRO 64 -16.538 2.802 -1.040 513 HG3 PRO 64 3HG PRO 64 -16.468 1.795 -2.502 514 HD2 PRO 64 2HD PRO 64 -14.651 1.664 -0.333 515 HD3 PRO 64 3HD PRO 64 -14.411 0.951 -1.945 516 H SER 65 H SER 65 -15.591 6.306 -1.892 517 HA SER 65 HA SER 65 -14.975 6.875 0.956 518 HB2 SER 65 2HB SER 65 -15.610 8.824 -1.307 519 HB3 SER 65 3HB SER 65 -15.327 9.278 0.374 520 HG SER 65 HG SER 65 -13.433 7.828 -1.147 521 HA PRO 66 HA PRO 66 -19.462 6.638 1.793 522 HB2 PRO 66 2HB PRO 66 -19.562 8.567 3.838 523 HB3 PRO 66 3HB PRO 66 -19.127 6.866 4.082 524 HG2 PRO 66 2HG PRO 66 -17.330 9.250 3.766 525 HG3 PRO 66 3HG PRO 66 -17.193 7.866 4.886 526 HD2 PRO 66 2HD PRO 66 -15.688 7.981 2.671 527 HD3 PRO 66 3HD PRO 66 -16.359 6.434 3.226 528 H VAL 67 H VAL 67 -20.980 7.552 0.542 529 HA VAL 67 HA VAL 67 -20.682 9.935 -0.968 530 HB VAL 67 HB VAL 67 -23.243 8.360 -0.372 531 HG11 VAL 67 1HG1 VAL 67 -23.741 10.602 -1.249 532 HG12 VAL 67 2HG1 VAL 67 -24.151 9.368 -2.441 533 HG13 VAL 67 3HG1 VAL 67 -22.676 10.321 -2.628 534 HG21 VAL 67 3HG2 VAL 67 -21.334 8.054 -2.725 535 HG22 VAL 67 1HG2 VAL 67 -22.843 7.163 -2.496 536 HG23 VAL 67 2HG2 VAL 67 -21.493 6.925 -1.384 537 H ILE 68 H ILE 68 -20.682 11.950 -0.008 538 HA ILE 68 HA ILE 68 -22.662 12.538 2.138 539 HB ILE 68 HB ILE 68 -19.997 13.970 1.573 540 HG12 ILE 68 2HG1 ILE 68 -20.763 12.028 3.805 541 HG13 ILE 68 3HG1 ILE 68 -19.590 11.736 2.532 542 HG21 ILE 68 1HG2 ILE 68 -22.001 14.379 3.831 543 HG22 ILE 68 2HG2 ILE 68 -21.706 15.493 2.494 544 HG23 ILE 68 3HG2 ILE 68 -20.441 15.194 3.683 545 HD11 ILE 68 3HD1 ILE 68 -18.145 13.460 3.470 546 HD12 ILE 68 1HD1 ILE 68 -18.519 12.195 4.640 547 HD13 ILE 68 2HD1 ILE 68 -19.327 13.761 4.747 548 H ILE 69 H ILE 69 -24.188 13.848 1.671 549 HA ILE 69 HA ILE 69 -24.621 14.906 -0.938 550 HB ILE 69 HB ILE 69 -26.218 14.934 1.658 551 HG12 ILE 69 2HG1 ILE 69 -27.697 13.338 0.585 552 HG13 ILE 69 3HG1 ILE 69 -26.886 13.462 -0.956 553 HG21 ILE 69 1HG2 ILE 69 -28.168 15.825 0.382 554 HG22 ILE 69 2HG2 ILE 69 -27.124 16.068 -1.020 555 HG23 ILE 69 3HG2 ILE 69 -26.834 16.980 0.462 556 HD11 ILE 69 3HD1 ILE 69 -25.875 12.158 1.574 557 HD12 ILE 69 1HD1 ILE 69 -24.967 12.279 0.068 558 HD13 ILE 69 2HD1 ILE 69 -26.463 11.347 0.125 559 H GLY 70 H GLY 70 -24.517 17.005 -1.578 560 HA2 GLY 70 2HA GLY 70 -24.159 19.291 -1.498 561 HA3 GLY 70 3HA GLY 70 -23.923 19.204 0.246 562 H TYR 71 H TYR 71 -22.046 16.765 -1.134 563 HA TYR 71 HA TYR 71 -19.654 18.461 -1.434 564 HB2 TYR 71 2HB TYR 71 -19.917 16.188 0.588 565 HB3 TYR 71 3HB TYR 71 -18.383 16.923 0.128 566 HD1 TYR 71 HD2 TYR 71 -17.969 19.376 0.669 567 HD2 TYR 71 HD1 TYR 71 -21.329 17.247 2.228 568 HE1 TYR 71 HE2 TYR 71 -18.298 21.123 2.374 569 HE2 TYR 71 HE1 TYR 71 -21.651 18.978 3.916 570 HH TYR 71 HH TYR 71 -20.081 22.003 3.777 571 H THR 72 H THR 72 -17.744 17.211 -2.071 572 HA THR 72 HA THR 72 -18.118 14.612 -3.365 573 HB THR 72 HB THR 72 -16.909 16.948 -4.938 574 HG1 THR 72 HG1 THR 72 -19.597 16.084 -4.801 575 HG21 THR 72 3HG2 THR 72 -17.209 15.460 -6.877 576 HG22 THR 72 1HG2 THR 72 -17.907 14.213 -5.830 577 HG23 THR 72 2HG2 THR 72 -16.214 14.676 -5.651 578 H ALA 73 H ALA 73 -16.351 13.433 -2.731 579 HA ALA 73 HA ALA 73 -14.150 14.483 -1.286 580 HB1 ALA 73 3HB ALA 73 -14.974 12.192 -0.955 581 HB2 ALA 73 1HB ALA 73 -13.262 12.178 -1.381 582 HB3 ALA 73 2HB ALA 73 -14.478 11.757 -2.591 583 H ASP 74 H ASP 74 -11.963 14.718 -1.880 584 HA ASP 74 HA ASP 74 -11.318 15.680 -4.464 585 HB2 ASP 74 2HB ASP 74 -10.139 16.446 -2.432 586 HB3 ASP 74 3HB ASP 74 -9.490 14.830 -2.167 587 H LYS 75 H LYS 75 -10.922 12.571 -2.906 588 HA LYS 75 HA LYS 75 -10.749 11.287 -5.505 589 HB2 LYS 75 2HB LYS 75 -9.029 9.622 -4.763 590 HB3 LYS 75 3HB LYS 75 -8.391 11.241 -4.957 591 HG2 LYS 75 2HG LYS 75 -9.141 10.111 -2.249 592 HG3 LYS 75 3HG LYS 75 -7.546 9.871 -2.956 593 HD2 LYS 75 2HD LYS 75 -8.802 12.579 -2.340 594 HD3 LYS 75 3HD LYS 75 -7.623 11.757 -1.321 595 HE2 LYS 75 2HE LYS 75 -7.113 12.658 -4.169 596 HE3 LYS 75 3HE LYS 75 -6.614 13.539 -2.731 597 HZ1 LYS 75 3HZ LYS 75 -5.681 10.873 -3.608 598 HZ2 LYS 75 1HZ LYS 75 -5.331 11.543 -2.098 599 HZ3 LYS 75 2HZ LYS 75 -4.788 12.301 -3.498 600 HA PRO 76 HA PRO 76 -14.068 9.459 -2.917 601 HB2 PRO 76 2HB PRO 76 -15.755 8.841 -4.977 602 HB3 PRO 76 3HB PRO 76 -15.604 10.496 -4.352 603 HG2 PRO 76 2HG PRO 76 -14.293 9.275 -6.759 604 HG3 PRO 76 3HG PRO 76 -15.121 10.843 -6.609 605 HD2 PRO 76 2HD PRO 76 -12.418 10.639 -6.507 606 HD3 PRO 76 3HD PRO 76 -13.304 11.858 -5.564 607 H MET 77 H MET 77 -11.849 8.129 -5.034 608 HA MET 77 HA MET 77 -12.217 5.514 -3.829 609 HB2 MET 77 2HB MET 77 -13.432 5.285 -5.981 610 HB3 MET 77 3HB MET 77 -12.043 5.905 -6.857 611 HG2 MET 77 2HG MET 77 -10.736 3.931 -6.100 612 HG3 MET 77 3HG MET 77 -12.196 3.287 -5.348 613 HE1 MET 77 3HE MET 77 -11.501 1.075 -8.584 614 HE2 MET 77 1HE MET 77 -11.594 1.049 -6.823 615 HE3 MET 77 2HE MET 77 -10.261 1.883 -7.627 616 H VAL 78 H VAL 78 -10.259 4.670 -3.327 617 HA VAL 78 HA VAL 78 -7.762 5.931 -3.751 618 HB VAL 78 HB VAL 78 -8.248 2.959 -3.176 619 HG11 VAL 78 1HG1 VAL 78 -5.788 4.682 -2.635 620 HG12 VAL 78 2HG1 VAL 78 -5.917 3.419 -3.858 621 HG13 VAL 78 3HG1 VAL 78 -5.983 2.995 -2.147 622 HG21 VAL 78 3HG2 VAL 78 -8.057 3.547 -0.792 623 HG22 VAL 78 1HG2 VAL 78 -9.421 4.378 -1.545 624 HG23 VAL 78 2HG2 VAL 78 -7.926 5.256 -1.213 625 H GLY 79 H GLY 79 -6.520 5.965 -5.504 626 HA2 GLY 79 2HA GLY 79 -7.490 5.365 -8.032 627 HA3 GLY 79 3HA GLY 79 -5.837 5.795 -7.657 628 HA PRO 80 HA PRO 80 -6.514 0.903 -7.987 629 HB2 PRO 80 2HB PRO 80 -7.592 0.306 -10.452 630 HB3 PRO 80 3HB PRO 80 -8.596 0.567 -9.008 631 HG2 PRO 80 2HG PRO 80 -7.939 2.514 -11.208 632 HG3 PRO 80 3HG PRO 80 -9.509 2.154 -10.450 633 HD2 PRO 80 2HD PRO 80 -8.093 4.320 -9.707 634 HD3 PRO 80 3HD PRO 80 -9.032 3.373 -8.528 635 H ASP 81 H ASP 81 -4.247 1.111 -8.025 636 HA ASP 81 HA ASP 81 -2.961 1.234 -10.686 637 HB2 ASP 81 2HB ASP 81 -3.000 3.561 -9.903 638 HB3 ASP 81 3HB ASP 81 -2.295 3.084 -8.359 639 H GLU 82 H GLU 82 -1.178 0.116 -10.882 640 HA GLU 82 HA GLU 82 -0.622 -1.981 -8.970 641 HB2 GLU 82 2HB GLU 82 0.539 -1.372 -11.729 642 HB3 GLU 82 3HB GLU 82 1.018 -2.752 -10.752 643 HG2 GLU 82 2HG GLU 82 -0.546 -3.533 -12.383 644 HG3 GLU 82 3HG GLU 82 -1.331 -3.573 -10.808 645 H VAL 83 H VAL 83 0.535 -1.404 -7.270 646 HA VAL 83 HA VAL 83 2.961 0.264 -7.484 647 HB VAL 83 HB VAL 83 1.375 -0.612 -5.006 648 HG11 VAL 83 1HG1 VAL 83 3.706 1.349 -5.208 649 HG12 VAL 83 2HG1 VAL 83 3.752 -0.246 -4.455 650 HG13 VAL 83 3HG1 VAL 83 2.754 1.025 -3.754 651 HG21 VAL 83 3HG2 VAL 83 1.439 2.053 -6.474 652 HG22 VAL 83 1HG2 VAL 83 0.615 1.762 -4.937 653 HG23 VAL 83 2HG2 VAL 83 0.085 0.926 -6.396 654 H THR 84 H THR 84 4.774 -0.911 -7.776 655 HA THR 84 HA THR 84 4.953 -3.663 -6.739 656 HB THR 84 HB THR 84 6.684 -2.222 -8.807 657 HG1 THR 84 HG1 THR 84 4.933 -2.670 -9.948 658 HG21 THR 84 3HG2 THR 84 7.931 -4.011 -7.655 659 HG22 THR 84 1HG2 THR 84 7.575 -4.458 -9.322 660 HG23 THR 84 2HG2 THR 84 6.629 -5.152 -8.004 661 H VAL 85 H VAL 85 6.305 -4.141 -5.100 662 HA VAL 85 HA VAL 85 8.444 -2.258 -4.277 663 HB VAL 85 HB VAL 85 7.278 -4.664 -2.771 664 HG11 VAL 85 1HG1 VAL 85 9.673 -4.415 -2.266 665 HG12 VAL 85 2HG1 VAL 85 8.700 -3.952 -0.871 666 HG13 VAL 85 3HG1 VAL 85 9.434 -2.706 -1.886 667 HG21 VAL 85 3HG2 VAL 85 6.385 -3.006 -1.193 668 HG22 VAL 85 1HG2 VAL 85 5.782 -2.684 -2.820 669 HG23 VAL 85 2HG2 VAL 85 7.077 -1.694 -2.149 670 H ASP 86 H ASP 86 10.457 -2.727 -4.856 671 HA ASP 86 HA ASP 86 11.111 -5.242 -6.224 672 HB2 ASP 86 2HB ASP 86 11.648 -3.024 -7.261 673 HB3 ASP 86 3HB ASP 86 12.704 -2.649 -5.913 674 H SER 87 H SER 87 13.325 -6.144 -5.741 675 HA SER 87 HA SER 87 13.360 -7.199 -3.163 676 HB2 SER 87 2HB SER 87 14.260 -8.299 -5.217 677 HB3 SER 87 3HB SER 87 15.626 -7.188 -5.193 678 HG SER 87 HG SER 87 15.613 -9.466 -4.088 679 H LYS 88 H LYS 88 15.210 -4.458 -4.491 680 HA LYS 88 HA LYS 88 17.054 -4.434 -2.229 681 HB2 LYS 88 2HB LYS 88 16.851 -2.644 -4.677 682 HB3 LYS 88 3HB LYS 88 17.943 -2.289 -3.344 683 HG2 LYS 88 2HG LYS 88 19.315 -3.403 -4.885 684 HG3 LYS 88 3HG LYS 88 18.909 -4.655 -3.714 685 HD2 LYS 88 2HD LYS 88 18.715 -5.688 -5.853 686 HD3 LYS 88 3HD LYS 88 17.056 -5.382 -5.331 687 HE2 LYS 88 2HE LYS 88 17.101 -3.266 -6.715 688 HE3 LYS 88 3HE LYS 88 18.674 -3.772 -7.336 689 HZ1 LYS 88 3HZ LYS 88 16.930 -4.394 -8.845 690 HZ2 LYS 88 1HZ LYS 88 16.110 -5.235 -7.633 691 HZ3 LYS 88 2HZ LYS 88 17.608 -5.787 -8.184 692 H ASN 89 H ASN 89 14.304 -2.426 -3.380 693 HA ASN 89 HA ASN 89 14.495 -0.691 -1.040 694 HB2 ASN 89 2HB ASN 89 12.755 0.636 -1.949 695 HB3 ASN 89 3HB ASN 89 13.676 0.115 -3.348 696 HD21 ASN 89 1HD2 ASN 89 10.674 -0.225 -1.604 697 HD22 ASN 89 2HD2 ASN 89 9.792 -0.985 -2.882 698 H PHE 90 H PHE 90 13.451 -3.758 -1.386 699 HA PHE 90 HA PHE 90 10.919 -3.958 -0.258 700 HB2 PHE 90 2HB PHE 90 12.110 -5.812 -1.394 701 HB3 PHE 90 3HB PHE 90 13.231 -5.933 -0.044 702 HD1 PHE 90 HD2 PHE 90 9.696 -6.417 -1.082 703 HD2 PHE 90 HD1 PHE 90 12.617 -7.123 1.954 704 HE1 PHE 90 HE2 PHE 90 8.159 -7.971 0.044 705 HE2 PHE 90 HE1 PHE 90 11.068 -8.650 3.074 706 HZ PHE 90 HZ PHE 90 8.845 -9.089 2.120 707 H LEU 91 H LEU 91 13.998 -3.442 1.279 708 HA LEU 91 HA LEU 91 13.226 -4.204 3.933 709 HB2 LEU 91 2HB LEU 91 15.624 -2.672 2.860 710 HB3 LEU 91 3HB LEU 91 15.404 -3.027 4.565 711 HG LEU 91 HG LEU 91 16.932 -4.668 3.707 712 HD11 LEU 91 1HD1 LEU 91 14.216 -5.999 4.009 713 HD12 LEU 91 2HD1 LEU 91 15.304 -5.541 5.319 714 HD13 LEU 91 3HD1 LEU 91 15.787 -6.794 4.179 715 HD21 LEU 91 3HD2 LEU 91 16.468 -4.490 1.293 716 HD22 LEU 91 1HD2 LEU 91 14.937 -5.346 1.505 717 HD23 LEU 91 2HD2 LEU 91 16.467 -6.175 1.807 718 H ASP 92 H ASP 92 12.849 -1.352 2.049 719 HA ASP 92 HA ASP 92 12.156 0.324 4.379 720 HB2 ASP 92 2HB ASP 92 12.518 1.098 1.437 721 HB3 ASP 92 3HB ASP 92 12.163 2.215 2.754 722 H LYS 93 H LYS 93 10.050 0.331 4.943 723 HA LYS 93 HA LYS 93 7.916 -0.504 3.222 724 HB2 LYS 93 2HB LYS 93 6.398 0.222 5.076 725 HB3 LYS 93 3HB LYS 93 7.663 -0.872 5.611 726 HG2 LYS 93 2HG LYS 93 8.933 1.134 6.453 727 HG3 LYS 93 3HG LYS 93 7.523 2.119 6.071 728 HD2 LYS 93 2HD LYS 93 6.157 0.674 7.632 729 HD3 LYS 93 3HD LYS 93 7.643 -0.168 8.084 730 HE2 LYS 93 2HE LYS 93 7.093 1.531 9.753 731 HE3 LYS 93 3HE LYS 93 8.583 1.980 8.916 732 HZ1 LYS 93 3HZ LYS 93 7.262 3.471 7.520 733 HZ2 LYS 93 1HZ LYS 93 7.135 3.876 9.153 734 HZ3 LYS 93 2HZ LYS 93 5.871 3.067 8.382 735 H GLN 94 H GLN 94 7.498 0.670 1.513 736 HA GLN 94 HA GLN 94 7.744 3.568 1.379 737 HB2 GLN 94 2HB GLN 94 7.136 3.209 -1.049 738 HB3 GLN 94 3HB GLN 94 8.571 2.338 -0.521 739 HG2 GLN 94 2HG GLN 94 7.349 0.255 -0.413 740 HG3 GLN 94 3HG GLN 94 5.824 1.081 -0.724 741 HE21 GLN 94 1HE2 GLN 94 5.324 1.699 -2.826 742 HE22 GLN 94 2HE2 GLN 94 6.202 1.102 -4.189 743 H ASN 95 H ASN 95 5.816 2.850 3.214 744 HA ASN 95 HA ASN 95 3.159 2.731 2.267 745 HB2 ASN 95 2HB ASN 95 2.584 3.361 4.687 746 HB3 ASN 95 3HB ASN 95 3.516 1.894 4.456 747 HD21 ASN 95 1HD2 ASN 95 4.952 5.178 4.403 748 HD22 ASN 95 2HD2 ASN 95 5.844 4.960 5.864 749 H ARG 96 H ARG 96 1.490 4.414 2.764 750 HA ARG 96 HA ARG 96 2.359 7.177 2.344 751 HB2 ARG 96 2HB ARG 96 2.321 5.993 0.099 752 HB3 ARG 96 3HB ARG 96 0.607 5.696 0.316 753 HG2 ARG 96 2HG ARG 96 0.922 7.586 -1.171 754 HG3 ARG 96 3HG ARG 96 0.203 8.142 0.340 755 HD2 ARG 96 2HD ARG 96 2.418 8.922 1.099 756 HD3 ARG 96 3HD ARG 96 3.134 8.384 -0.419 757 HE ARG 96 HE ARG 96 1.064 10.500 -0.233 758 HH11 ARG 96 1HH1 ARG 96 4.049 9.302 -1.648 759 HH12 ARG 96 2HH1 ARG 96 4.244 10.685 -2.682 760 HH21 ARG 96 2HH2 ARG 96 1.350 12.304 -1.549 761 HH22 ARG 96 1HH2 ARG 96 2.713 12.380 -2.624 762 H GLU 97 H GLU 97 0.397 8.650 2.226 763 HA GLU 97 HA GLU 97 -1.930 7.632 3.759 764 HB2 GLU 97 2HB GLU 97 -0.310 9.057 5.091 765 HB3 GLU 97 3HB GLU 97 -0.642 10.387 3.985 766 HG2 GLU 97 2HG GLU 97 -3.122 10.075 4.654 767 HG3 GLU 97 3HG GLU 97 -2.515 9.071 5.957 768 H GLU 98 H GLU 98 -3.782 7.873 2.568 769 HA GLU 98 HA GLU 98 -4.004 10.054 0.593 770 HB2 GLU 98 2HB GLU 98 -5.673 7.565 1.064 771 HB3 GLU 98 3HB GLU 98 -6.236 8.873 0.038 772 HG2 GLU 98 2HG GLU 98 -3.719 7.263 -0.415 773 HG3 GLU 98 3HG GLU 98 -5.257 6.991 -1.222 774 H THR 99 H THR 99 -4.914 11.851 1.238 775 HA THR 99 HA THR 99 -7.002 11.868 3.330 776 HB THR 99 HB THR 99 -5.497 14.283 2.205 777 HG1 THR 99 HG1 THR 99 -3.855 13.695 3.384 778 HG21 THR 99 3HG2 THR 99 -6.195 15.343 4.342 779 HG22 THR 99 1HG2 THR 99 -7.053 13.867 4.793 780 HG23 THR 99 2HG2 THR 99 -7.597 14.817 3.410 781 H VAL 100 H VAL 100 -9.033 11.687 2.324 782 HA VAL 100 HA VAL 100 -9.429 12.955 -0.297 783 HB VAL 100 HB VAL 100 -11.404 11.795 -0.585 784 HG11 VAL 100 1HG1 VAL 100 -11.177 9.462 0.186 785 HG12 VAL 100 2HG1 VAL 100 -9.968 9.969 1.370 786 HG13 VAL 100 3HG1 VAL 100 -9.631 10.128 -0.354 787 HG21 VAL 100 3HG2 VAL 100 -11.851 11.602 2.414 788 HG22 VAL 100 1HG2 VAL 100 -12.920 10.940 1.175 789 HG23 VAL 100 2HG2 VAL 100 -12.678 12.682 1.291 790 H ILE 101 H ILE 101 -10.721 14.769 -0.594 791 HA ILE 101 HA ILE 101 -11.474 16.296 1.838 792 HB ILE 101 HB ILE 101 -10.238 17.417 -0.725 793 HG12 ILE 101 2HG1 ILE 101 -8.534 16.317 0.684 794 HG13 ILE 101 3HG1 ILE 101 -8.306 18.060 0.735 795 HG21 ILE 101 1HG2 ILE 101 -11.165 18.885 1.770 796 HG22 ILE 101 2HG2 ILE 101 -11.882 18.993 0.162 797 HG23 ILE 101 3HG2 ILE 101 -10.255 19.614 0.444 798 HD11 ILE 101 3HD1 ILE 101 -9.425 18.099 2.952 799 HD12 ILE 101 1HD1 ILE 101 -7.963 17.112 2.926 800 HD13 ILE 101 2HD1 ILE 101 -9.546 16.341 2.888 801 H TYR 102 H TYR 102 -13.624 16.277 1.911 802 HA TYR 102 HA TYR 102 -15.344 16.160 -0.379 803 HB2 TYR 102 2HB TYR 102 -15.939 16.540 2.587 804 HB3 TYR 102 3HB TYR 102 -17.176 16.391 1.348 805 HD1 TYR 102 HD1 TYR 102 -17.371 14.229 0.038 806 HD2 TYR 102 HD2 TYR 102 -14.890 14.576 3.498 807 HE1 TYR 102 HE1 TYR 102 -17.289 11.785 0.235 808 HE2 TYR 102 HE2 TYR 102 -14.819 12.148 3.673 809 HH TYR 102 HH TYR 102 -16.174 10.230 2.990 810 H SER 103 H SER 103 -15.623 17.905 -1.571 811 HA SER 103 HA SER 103 -15.447 20.613 -0.400 812 HB2 SER 103 2HB SER 103 -14.759 21.314 -2.718 813 HB3 SER 103 3HB SER 103 -13.627 20.163 -2.002 814 HG SER 103 HG SER 103 -15.189 18.596 -3.214 815 H ALA 104 H ALA 104 -17.102 22.023 -0.906 816 HA ALA 104 HA ALA 104 -19.692 21.139 -1.209 817 HB1 ALA 104 3HB ALA 104 -20.298 23.497 -1.657 818 HB2 ALA 104 1HB ALA 104 -18.600 23.880 -1.950 819 HB3 ALA 104 2HB ALA 104 -19.127 23.376 -0.344 820 H ASN 105 H ASN 105 -20.825 20.389 -2.871 821 HA ASN 105 HA ASN 105 -19.764 20.140 -5.506 822 HB2 ASN 105 2HB ASN 105 -21.847 18.942 -6.032 823 HB3 ASN 105 3HB ASN 105 -21.136 18.363 -4.536 824 HD21 ASN 105 1HD2 ASN 105 -23.253 17.400 -4.297 825 HD22 ASN 105 2HD2 ASN 105 -24.530 18.342 -3.601 826 H THR 106 H THR 106 -22.693 20.640 -6.649 827 HA THR 106 HA THR 106 -22.115 22.972 -8.041 828 HB THR 106 HB THR 106 -23.786 21.238 -8.745 829 HG1 THR 106 HG1 THR 106 -23.783 23.760 -9.273 830 HG21 THR 106 3HG2 THR 106 -25.671 22.625 -6.794 831 HG22 THR 106 1HG2 THR 106 -25.003 21.005 -6.591 832 HG23 THR 106 2HG2 THR 106 -26.104 21.344 -7.932 833 H ILE 107 H ILE 107 -23.258 22.798 -4.813 834 HA ILE 107 HA ILE 107 -24.455 25.162 -4.188 835 HB ILE 107 HB ILE 107 -22.075 23.831 -2.802 836 HG12 ILE 107 2HG1 ILE 107 -25.059 23.665 -2.130 837 HG13 ILE 107 3HG1 ILE 107 -24.183 22.448 -3.052 838 HG21 ILE 107 1HG2 ILE 107 -22.679 25.096 -0.759 839 HG22 ILE 107 2HG2 ILE 107 -23.925 25.957 -1.664 840 HG23 ILE 107 3HG2 ILE 107 -22.225 26.183 -2.083 841 HD11 ILE 107 3HD1 ILE 107 -23.614 23.219 -0.199 842 HD12 ILE 107 1HD1 ILE 107 -22.777 21.982 -1.137 843 HD13 ILE 107 2HD1 ILE 107 -24.484 21.783 -0.741 844 H THR 108 H THR 108 -20.890 24.764 -4.592 845 HA THR 108 HA THR 108 -20.617 27.627 -5.202 846 HB THR 108 HB THR 108 -19.123 26.668 -3.460 847 HG1 THR 108 HG1 THR 108 -18.243 28.421 -4.391 848 HG21 THR 108 3HG2 THR 108 -17.837 25.087 -5.714 849 HG22 THR 108 1HG2 THR 108 -18.783 24.401 -4.393 850 HG23 THR 108 2HG2 THR 108 -17.251 25.205 -4.052 851 H GLN 109 H GLN 109 -20.503 24.471 -6.721 852 HA GLN 109 HA GLN 109 -19.007 25.369 -9.086 853 HB2 GLN 109 2HB GLN 109 -20.114 22.581 -8.508 854 HB3 GLN 109 3HB GLN 109 -18.877 23.016 -9.684 855 HG2 GLN 109 2HG GLN 109 -17.377 23.650 -7.784 856 HG3 GLN 109 3HG GLN 109 -18.635 23.088 -6.678 857 HE21 GLN 109 1HE2 GLN 109 -17.357 21.478 -5.799 858 HE22 GLN 109 2HE2 GLN 109 -16.909 20.058 -6.672 859 H ASN 110 H ASN 110 -19.937 24.094 -11.156 860 HA ASN 110 HA ASN 110 -22.802 24.708 -11.560 861 HB2 ASN 110 2HB ASN 110 -20.554 23.963 -13.492 862 HB3 ASN 110 3HB ASN 110 -22.241 24.045 -13.988 863 HD21 ASN 110 1HD2 ASN 110 -19.474 25.910 -12.955 864 HD22 ASN 110 2HD2 ASN 110 -20.092 27.447 -13.438 865 H LYS 111 H LYS 111 -20.539 22.053 -11.243 866 HA LYS 111 HA LYS 111 -22.581 20.028 -11.939 867 HB2 LYS 111 2HB LYS 111 -19.562 19.757 -11.561 868 HB3 LYS 111 3HB LYS 111 -20.650 18.453 -12.028 869 HG2 LYS 111 2HG LYS 111 -20.083 20.952 -13.639 870 HG3 LYS 111 3HG LYS 111 -19.424 19.345 -13.961 871 HD2 LYS 111 2HD LYS 111 -21.768 18.519 -14.331 872 HD3 LYS 111 3HD LYS 111 -22.350 20.173 -14.100 873 HE2 LYS 111 2HE LYS 111 -20.945 20.877 -16.054 874 HE3 LYS 111 3HE LYS 111 -20.520 19.182 -16.314 875 HZ1 LYS 111 3HZ LYS 111 -22.858 18.686 -16.670 876 HZ2 LYS 111 1HZ LYS 111 -22.343 19.891 -17.737 877 HZ3 LYS 111 2HZ LYS 111 -23.275 20.300 -16.392 878 H LYS 112 H LYS 112 -23.199 18.436 -10.451 879 HA LYS 112 HA LYS 112 -22.762 19.020 -7.634 880 HB2 LYS 112 2HB LYS 112 -24.296 16.630 -8.779 881 HB3 LYS 112 3HB LYS 112 -24.398 17.286 -7.148 882 HG2 LYS 112 2HG LYS 112 -25.437 19.328 -8.029 883 HG3 LYS 112 3HG LYS 112 -25.301 18.694 -9.667 884 HD2 LYS 112 2HD LYS 112 -27.594 18.453 -8.759 885 HD3 LYS 112 3HD LYS 112 -26.867 16.892 -9.141 886 HE2 LYS 112 2HE LYS 112 -26.440 16.455 -6.790 887 HE3 LYS 112 3HE LYS 112 -26.943 18.086 -6.346 888 HZ1 LYS 112 3HZ LYS 112 -28.671 16.468 -5.900 889 HZ2 LYS 112 1HZ LYS 112 -28.705 16.007 -7.527 890 HZ3 LYS 112 2HZ LYS 112 -29.173 17.567 -7.080 891 H ASP 113 H ASP 113 -22.760 15.882 -9.263 892 HA ASP 113 HA ASP 113 -20.264 14.889 -9.081 893 HB2 ASP 113 2HB ASP 113 -20.059 13.751 -6.864 894 HB3 ASP 113 3HB ASP 113 -20.056 15.496 -6.699 895 H GLY 114 H GLY 114 -20.536 12.363 -8.021 896 HA2 GLY 114 2HA GLY 114 -21.421 10.306 -8.410 897 HA3 GLY 114 3HA GLY 114 -22.970 11.068 -8.740 898 H LEU 115 H LEU 115 -19.817 11.478 -10.280 899 HA LEU 115 HA LEU 115 -20.563 11.556 -12.940 900 HB2 LEU 115 2HB LEU 115 -17.982 10.392 -11.819 901 HB3 LEU 115 3HB LEU 115 -18.209 10.965 -13.464 902 HG LEU 115 HG LEU 115 -18.244 12.700 -10.964 903 HD11 LEU 115 1HD1 LEU 115 -16.122 12.461 -13.122 904 HD12 LEU 115 2HD1 LEU 115 -16.007 11.847 -11.471 905 HD13 LEU 115 3HD1 LEU 115 -16.099 13.581 -11.755 906 HD21 LEU 115 3HD2 LEU 115 -18.448 13.543 -13.877 907 HD22 LEU 115 1HD2 LEU 115 -18.292 14.633 -12.494 908 HD23 LEU 115 2HD2 LEU 115 -19.732 13.635 -12.670 909 H GLU 116 H GLU 116 -19.703 8.792 -10.950 910 HA GLU 116 HA GLU 116 -21.484 7.076 -12.442 911 HB2 GLU 116 2HB GLU 116 -19.368 6.740 -13.688 912 HB3 GLU 116 3HB GLU 116 -18.526 6.369 -12.188 913 HG2 GLU 116 2HG GLU 116 -19.861 4.334 -11.898 914 HG3 GLU 116 3HG GLU 116 -20.809 4.725 -13.332 915 H HIS 117 H HIS 117 -22.507 5.828 -11.037 916 HA HIS 117 HA HIS 117 -22.095 5.972 -8.249 917 HB2 HIS 117 2HB HIS 117 -23.988 4.361 -8.090 918 HB3 HIS 117 3HB HIS 117 -24.344 5.680 -9.194 919 HD1 HIS 117 HD1 HIS 117 -24.831 2.213 -8.949 920 HD2 HIS 117 HD2 HIS 117 -23.688 4.709 -12.060 921 HE1 HIS 117 HE1 HIS 117 -25.313 0.933 -11.056 922 HE2 HIS 117 HE2 HIS 117 -24.447 2.395 -12.900 923 H HIS 118 H HIS 118 -20.442 5.062 -7.228 924 HA HIS 118 HA HIS 118 -19.004 2.729 -8.174 925 HB2 HIS 118 2HB HIS 118 -18.739 4.300 -5.569 926 HB3 HIS 118 3HB HIS 118 -17.659 3.000 -6.061 927 HD1 HIS 118 HD1 HIS 118 -15.774 3.604 -7.647 928 HD2 HIS 118 HD2 HIS 118 -18.481 6.716 -7.170 929 HE1 HIS 118 HE1 HIS 118 -14.673 5.610 -8.663 930 HE2 HIS 118 HE2 HIS 118 -16.395 7.426 -8.524 931 H HIS 119 H HIS 119 -20.076 0.802 -8.042 932 HA HIS 119 HA HIS 119 -22.141 0.206 -6.215 933 HB2 HIS 119 2HB HIS 119 -22.007 -2.140 -7.037 934 HB3 HIS 119 3HB HIS 119 -22.008 -0.975 -8.350 935 HD1 HIS 119 HD1 HIS 119 -19.791 -3.475 -6.631 936 HD2 HIS 119 HD2 HIS 119 -19.755 -1.047 -9.992 937 HE1 HIS 119 HE1 HIS 119 -17.852 -4.267 -8.009 938 HE2 HIS 119 HE2 HIS 119 -17.768 -2.688 -9.955 939 H HIS 120 H HIS 120 -21.762 0.322 -4.103 940 HA HIS 120 HA HIS 120 -19.785 -1.472 -2.858 941 HB2 HIS 120 2HB HIS 120 -18.958 0.970 -3.025 942 HB3 HIS 120 3HB HIS 120 -20.245 1.390 -1.899 943 HD1 HIS 120 HD1 HIS 120 -19.150 1.764 0.299 944 HD2 HIS 120 HD2 HIS 120 -17.550 -1.530 -1.655 945 HE1 HIS 120 HE1 HIS 120 -17.363 0.881 1.822 946 HE2 HIS 120 HE2 HIS 120 -16.477 -1.154 0.659 947 H HIS 121 H HIS 121 -20.665 -2.645 -1.279 948 HA HIS 121 HA HIS 121 -23.436 -2.316 -0.526 949 HB2 HIS 121 2HB HIS 121 -21.330 -4.292 0.476 950 HB3 HIS 121 3HB HIS 121 -23.046 -4.360 0.875 951 HD1 HIS 121 HD1 HIS 121 -20.719 -5.827 -1.379 952 HD2 HIS 121 HD2 HIS 121 -24.652 -4.534 -1.700 953 HE1 HIS 121 HE1 HIS 121 -21.642 -6.973 -3.410 954 HE2 HIS 121 HE2 HIS 121 -24.072 -6.315 -3.471 955 H HIS 122 H HIS 122 -23.525 -0.327 0.467 956 HA HIS 122 HA HIS 122 -23.402 1.320 1.987 957 HB2 HIS 122 2HB HIS 122 -24.106 -0.321 3.682 958 HB3 HIS 122 3HB HIS 122 -22.453 -0.888 3.873 959 HD1 HIS 122 HD1 HIS 122 -20.820 0.649 5.226 960 HD2 HIS 122 HD2 HIS 122 -24.745 2.019 5.102 961 HE1 HIS 122 HE1 HIS 122 -20.973 2.427 6.996 962 HE2 HIS 122 HE2 HIS 122 -23.335 3.266 6.876 Start of MODEL 4 1 H1 MET 1 1H MET 1 21.637 -28.104 3.977 2 H2 MET 1 2H MET 1 21.328 -28.691 2.422 3 H3 MET 1 3H MET 1 21.504 -29.770 3.710 4 HA MET 1 HA MET 1 19.182 -29.484 3.042 5 HB2 MET 1 2HB MET 1 19.737 -30.098 5.380 6 HB3 MET 1 3HB MET 1 19.861 -28.397 5.817 7 HG2 MET 1 2HG MET 1 17.740 -29.313 6.569 8 HG3 MET 1 3HG MET 1 17.456 -28.108 5.310 9 HE1 MET 1 3HE MET 1 15.211 -30.174 6.236 10 HE2 MET 1 1HE MET 1 14.565 -30.723 4.689 11 HE3 MET 1 2HE MET 1 14.938 -29.017 4.932 12 H ILE 2 H ILE 2 18.198 -28.094 1.758 13 HA ILE 2 HA ILE 2 18.254 -25.183 2.268 14 HB ILE 2 HB ILE 2 17.486 -26.826 -0.205 15 HG12 ILE 2 2HG1 ILE 2 19.935 -26.653 0.212 16 HG13 ILE 2 3HG1 ILE 2 19.466 -25.818 -1.263 17 HG21 ILE 2 1HG2 ILE 2 17.406 -23.803 0.107 18 HG22 ILE 2 2HG2 ILE 2 16.023 -24.873 -0.124 19 HG23 ILE 2 3HG2 ILE 2 17.204 -24.675 -1.417 20 HD11 ILE 2 3HD1 ILE 2 19.635 -23.669 -0.132 21 HD12 ILE 2 1HD1 ILE 2 21.147 -24.565 0.012 22 HD13 ILE 2 2HD1 ILE 2 20.044 -24.471 1.387 23 H GLU 3 H GLU 3 16.338 -24.062 2.610 24 HA GLU 3 HA GLU 3 13.785 -25.575 2.646 25 HB2 GLU 3 2HB GLU 3 13.041 -24.285 4.559 26 HB3 GLU 3 3HB GLU 3 14.584 -25.022 4.969 27 HG2 GLU 3 2HG GLU 3 15.745 -22.958 4.797 28 HG3 GLU 3 3HG GLU 3 14.398 -22.165 3.987 29 HA PRO 4 HA PRO 4 12.541 -22.011 0.062 30 HB2 PRO 4 2HB PRO 4 9.855 -22.412 -0.071 31 HB3 PRO 4 3HB PRO 4 11.003 -23.463 -0.926 32 HG2 PRO 4 2HG PRO 4 9.540 -23.958 1.641 33 HG3 PRO 4 3HG PRO 4 9.874 -25.071 0.296 34 HD2 PRO 4 2HD PRO 4 11.344 -24.985 2.640 35 HD3 PRO 4 3HD PRO 4 11.961 -25.613 1.097 36 H ILE 5 H ILE 5 12.489 -19.961 0.837 37 HA ILE 5 HA ILE 5 10.890 -19.325 3.253 38 HB ILE 5 HB ILE 5 12.499 -17.500 3.757 39 HG12 ILE 5 2HG1 ILE 5 14.241 -18.697 1.547 40 HG13 ILE 5 3HG1 ILE 5 13.398 -17.159 1.434 41 HG21 ILE 5 1HG2 ILE 5 12.742 -19.659 4.891 42 HG22 ILE 5 2HG2 ILE 5 14.322 -18.914 4.639 43 HG23 ILE 5 3HG2 ILE 5 13.796 -20.242 3.599 44 HD11 ILE 5 3HD1 ILE 5 14.787 -16.310 3.306 45 HD12 ILE 5 1HD1 ILE 5 15.724 -16.797 1.894 46 HD13 ILE 5 2HD1 ILE 5 15.658 -17.841 3.305 47 H LYS 6 H LYS 6 10.366 -16.998 3.417 48 HA LYS 6 HA LYS 6 10.331 -15.358 1.093 49 HB2 LYS 6 2HB LYS 6 8.017 -15.157 0.624 50 HB3 LYS 6 3HB LYS 6 8.354 -16.876 0.632 51 HG2 LYS 6 2HG LYS 6 7.060 -15.351 2.902 52 HG3 LYS 6 3HG LYS 6 6.173 -16.253 1.683 53 HD2 LYS 6 2HD LYS 6 8.131 -17.396 3.711 54 HD3 LYS 6 3HD LYS 6 6.374 -17.532 3.792 55 HE2 LYS 6 2HE LYS 6 6.377 -18.942 1.792 56 HE3 LYS 6 3HE LYS 6 8.114 -18.703 1.595 57 HZ1 LYS 6 3HZ LYS 6 6.778 -20.119 3.838 58 HZ2 LYS 6 1HZ LYS 6 8.438 -19.795 3.755 59 HZ3 LYS 6 2HZ LYS 6 7.715 -20.813 2.615 60 H ARG 7 H ARG 7 9.748 -13.200 1.531 61 HA ARG 7 HA ARG 7 9.192 -12.530 4.378 62 HB2 ARG 7 2HB ARG 7 11.578 -12.019 3.575 63 HB3 ARG 7 3HB ARG 7 10.871 -10.823 2.481 64 HG2 ARG 7 2HG ARG 7 10.173 -9.432 4.249 65 HG3 ARG 7 3HG ARG 7 10.369 -10.697 5.462 66 HD2 ARG 7 2HD ARG 7 12.153 -8.862 5.441 67 HD3 ARG 7 3HD ARG 7 12.744 -10.522 5.426 68 HE ARG 7 HE ARG 7 12.584 -9.696 2.767 69 HH11 ARG 7 1HH1 ARG 7 14.418 -8.719 5.627 70 HH12 ARG 7 2HH1 ARG 7 15.777 -8.181 4.695 71 HH21 ARG 7 1HH2 ARG 7 14.412 -9.069 1.611 72 HH22 ARG 7 2HH2 ARG 7 15.770 -8.378 2.438 73 H THR 8 H THR 8 7.865 -10.626 4.711 74 HA THR 8 HA THR 8 5.978 -10.214 2.452 75 HB THR 8 HB THR 8 5.369 -10.446 5.433 76 HG1 THR 8 HG1 THR 8 4.858 -12.268 3.296 77 HG21 THR 8 3HG2 THR 8 2.989 -10.542 4.724 78 HG22 THR 8 1HG2 THR 8 3.475 -10.214 3.063 79 HG23 THR 8 2HG2 THR 8 3.726 -8.993 4.312 80 H GLN 9 H GLN 9 6.374 -8.158 1.759 81 HA GLN 9 HA GLN 9 6.570 -5.941 3.696 82 HB2 GLN 9 2HB GLN 9 8.437 -6.174 2.035 83 HB3 GLN 9 3HB GLN 9 7.273 -6.014 0.730 84 HG2 GLN 9 2HG GLN 9 8.345 -3.910 0.925 85 HG3 GLN 9 3HG GLN 9 6.731 -3.693 1.595 86 HE21 GLN 9 1HE2 GLN 9 9.127 -2.095 2.027 87 HE22 GLN 9 2HE2 GLN 9 9.428 -2.104 3.729 88 H VAL 10 H VAL 10 4.454 -5.390 4.118 89 HA VAL 10 HA VAL 10 2.518 -5.237 1.933 90 HB VAL 10 HB VAL 10 0.794 -4.876 3.606 91 HG11 VAL 10 1HG1 VAL 10 0.952 -6.998 4.858 92 HG12 VAL 10 2HG1 VAL 10 2.668 -7.110 4.464 93 HG13 VAL 10 3HG1 VAL 10 1.461 -7.197 3.179 94 HG21 VAL 10 3HG2 VAL 10 1.276 -4.824 6.047 95 HG22 VAL 10 1HG2 VAL 10 1.976 -3.435 5.213 96 HG23 VAL 10 2HG2 VAL 10 3.006 -4.782 5.704 97 H VAL 11 H VAL 11 2.080 -3.375 0.884 98 HA VAL 11 HA VAL 11 3.212 -0.859 1.897 99 HB VAL 11 HB VAL 11 1.787 -1.407 -0.760 100 HG11 VAL 11 1HG1 VAL 11 1.615 0.954 -0.087 101 HG12 VAL 11 2HG1 VAL 11 2.703 0.787 -1.462 102 HG13 VAL 11 3HG1 VAL 11 3.362 1.041 0.159 103 HG21 VAL 11 3HG2 VAL 11 4.760 -1.171 -0.132 104 HG22 VAL 11 1HG2 VAL 11 4.058 -1.339 -1.748 105 HG23 VAL 11 2HG2 VAL 11 3.900 -2.648 -0.580 106 H THR 12 H THR 12 2.006 -0.052 3.380 107 HA THR 12 HA THR 12 -0.889 -0.389 3.499 108 HB THR 12 HB THR 12 1.140 0.658 5.525 109 HG1 THR 12 HG1 THR 12 0.004 -1.953 5.301 110 HG21 THR 12 3HG2 THR 12 -0.505 0.106 7.233 111 HG22 THR 12 1HG2 THR 12 -1.644 -0.417 5.994 112 HG23 THR 12 2HG2 THR 12 -1.176 1.288 6.104 113 H GLN 13 H GLN 13 -1.697 1.192 2.092 114 HA GLN 13 HA GLN 13 -1.110 4.014 2.615 115 HB2 GLN 13 2HB GLN 13 -2.964 2.708 0.592 116 HB3 GLN 13 3HB GLN 13 -2.789 4.453 0.774 117 HG2 GLN 13 2HG GLN 13 -0.702 2.462 -0.163 118 HG3 GLN 13 3HG GLN 13 -1.472 3.742 -1.101 119 HE21 GLN 13 1HE2 GLN 13 1.049 2.954 1.118 120 HE22 GLN 13 2HE2 GLN 13 1.802 4.507 1.163 121 H THR 14 H THR 14 -1.923 4.627 4.509 122 HA THR 14 HA THR 14 -4.548 3.688 5.448 123 HB THR 14 HB THR 14 -2.539 5.596 6.744 124 HG1 THR 14 HG1 THR 14 -1.670 3.532 6.551 125 HG21 THR 14 3HG2 THR 14 -4.808 5.911 7.664 126 HG22 THR 14 1HG2 THR 14 -3.752 5.144 8.847 127 HG23 THR 14 2HG2 THR 14 -4.939 4.176 7.972 128 H ILE 15 H ILE 15 -6.216 4.699 4.411 129 HA ILE 15 HA ILE 15 -5.958 7.490 3.635 130 HB ILE 15 HB ILE 15 -8.155 5.495 2.974 131 HG12 ILE 15 2HG1 ILE 15 -5.957 6.791 1.293 132 HG13 ILE 15 3HG1 ILE 15 -5.949 5.118 1.860 133 HG21 ILE 15 1HG2 ILE 15 -7.853 8.374 1.971 134 HG22 ILE 15 2HG2 ILE 15 -9.099 7.801 3.079 135 HG23 ILE 15 3HG2 ILE 15 -9.064 7.207 1.423 136 HD11 ILE 15 3HD1 ILE 15 -6.519 5.239 -0.459 137 HD12 ILE 15 1HD1 ILE 15 -7.828 6.364 -0.124 138 HD13 ILE 15 2HD1 ILE 15 -7.932 4.694 0.446 139 H HIS 16 H HIS 16 -6.628 9.093 4.772 140 HA HIS 16 HA HIS 16 -8.695 8.771 6.874 141 HB2 HIS 16 2HB HIS 16 -6.729 11.044 6.316 142 HB3 HIS 16 3HB HIS 16 -7.948 11.065 7.588 143 HD1 HIS 16 HD1 HIS 16 -5.833 11.423 9.195 144 HD2 HIS 16 HD2 HIS 16 -6.106 7.680 7.392 145 HE1 HIS 16 HE1 HIS 16 -4.220 9.951 10.440 146 HE2 HIS 16 HE2 HIS 16 -4.440 7.675 9.382 147 H TYR 17 H TYR 17 -10.729 9.322 6.275 148 HA TYR 17 HA TYR 17 -11.191 11.105 3.997 149 HB2 TYR 17 2HB TYR 17 -13.118 9.469 5.728 150 HB3 TYR 17 3HB TYR 17 -13.606 10.466 4.354 151 HD1 TYR 17 HD2 TYR 17 -11.335 7.590 5.221 152 HD2 TYR 17 HD1 TYR 17 -13.712 9.426 2.181 153 HE1 TYR 17 HE2 TYR 17 -10.849 5.747 3.699 154 HE2 TYR 17 HE1 TYR 17 -13.194 7.573 0.666 155 HH TYR 17 HH TYR 17 -11.578 5.852 0.360 156 H ARG 18 H ARG 18 -11.255 13.202 4.437 157 HA ARG 18 HA ARG 18 -12.467 14.170 6.946 158 HB2 ARG 18 2HB ARG 18 -9.852 15.191 5.753 159 HB3 ARG 18 3HB ARG 18 -10.730 15.972 7.071 160 HG2 ARG 18 2HG ARG 18 -10.446 13.788 8.368 161 HG3 ARG 18 3HG ARG 18 -9.323 13.292 7.093 162 HD2 ARG 18 2HD ARG 18 -9.063 15.732 8.875 163 HD3 ARG 18 3HD ARG 18 -8.136 14.242 9.012 164 HE ARG 18 HE ARG 18 -7.121 14.759 6.860 165 HH11 ARG 18 1HH1 ARG 18 -8.602 17.449 8.571 166 HH12 ARG 18 2HH1 ARG 18 -7.643 18.638 7.753 167 HH21 ARG 18 1HH2 ARG 18 -5.930 16.341 5.760 168 HH22 ARG 18 2HH2 ARG 18 -6.132 18.010 6.163 169 H TYR 19 H TYR 19 -12.690 16.685 6.722 170 HA TYR 19 HA TYR 19 -13.932 17.298 4.124 171 HB2 TYR 19 2HB TYR 19 -14.352 18.597 6.859 172 HB3 TYR 19 3HB TYR 19 -15.206 19.038 5.380 173 HD1 TYR 19 HD2 TYR 19 -16.811 17.320 4.335 174 HD2 TYR 19 HD1 TYR 19 -15.097 16.721 8.197 175 HE1 TYR 19 HE2 TYR 19 -18.500 15.617 4.817 176 HE2 TYR 19 HE1 TYR 19 -16.787 15.011 8.677 177 HH TYR 19 HH TYR 19 -18.753 13.640 6.314 178 H GLU 20 H GLU 20 -13.788 19.663 3.505 179 HA GLU 20 HA GLU 20 -11.122 20.612 3.341 180 HB2 GLU 20 2HB GLU 20 -12.069 22.632 2.328 181 HB3 GLU 20 3HB GLU 20 -12.863 21.197 1.681 182 HG2 GLU 20 2HG GLU 20 -14.817 21.583 3.056 183 HG3 GLU 20 3HG GLU 20 -14.029 22.927 3.890 184 H ASP 21 H ASP 21 -13.637 21.112 5.675 185 HA ASP 21 HA ASP 21 -12.688 23.451 6.998 186 HB2 ASP 21 2HB ASP 21 -14.390 21.195 8.149 187 HB3 ASP 21 3HB ASP 21 -14.305 22.857 8.732 188 H GLY 22 H GLY 22 -11.570 20.210 6.933 189 HA2 GLY 22 2HA GLY 22 -9.500 19.530 7.932 190 HA3 GLY 22 3HA GLY 22 -9.812 20.634 9.265 191 H ALA 23 H ALA 23 -12.683 19.690 9.257 192 HA ALA 23 HA ALA 23 -12.636 17.938 11.418 193 HB1 ALA 23 3HB ALA 23 -14.858 18.365 9.390 194 HB2 ALA 23 1HB ALA 23 -14.553 19.354 10.821 195 HB3 ALA 23 2HB ALA 23 -15.047 17.672 11.008 196 H VAL 24 H VAL 24 -12.861 15.676 11.640 197 HA VAL 24 HA VAL 24 -11.958 14.110 9.339 198 HB VAL 24 HB VAL 24 -12.394 13.175 12.221 199 HG11 VAL 24 1HG1 VAL 24 -10.873 11.313 11.605 200 HG12 VAL 24 2HG1 VAL 24 -10.800 11.926 9.947 201 HG13 VAL 24 3HG1 VAL 24 -12.326 11.333 10.602 202 HG21 VAL 24 3HG2 VAL 24 -10.760 15.020 12.173 203 HG22 VAL 24 1HG2 VAL 24 -9.826 14.192 10.925 204 HG23 VAL 24 2HG2 VAL 24 -9.952 13.497 12.545 205 H ALA 25 H ALA 25 -13.369 13.095 8.067 206 HA ALA 25 HA ALA 25 -16.146 12.647 8.749 207 HB1 ALA 25 3HB ALA 25 -14.552 11.737 6.318 208 HB2 ALA 25 1HB ALA 25 -15.495 13.226 6.439 209 HB3 ALA 25 2HB ALA 25 -16.308 11.658 6.477 210 H HIS 26 H HIS 26 -13.443 10.494 7.865 211 HA HIS 26 HA HIS 26 -13.816 8.657 9.989 212 HB2 HIS 26 2HB HIS 26 -15.721 7.889 8.598 213 HB3 HIS 26 3HB HIS 26 -14.646 7.703 7.213 214 HD1 HIS 26 HD1 HIS 26 -13.039 5.650 7.241 215 HD2 HIS 26 HD2 HIS 26 -15.635 5.813 10.469 216 HE1 HIS 26 HE1 HIS 26 -12.915 3.390 8.313 217 HE2 HIS 26 HE2 HIS 26 -14.269 3.619 10.426 218 H ASP 27 H ASP 27 -11.647 8.639 10.385 219 HA ASP 27 HA ASP 27 -9.702 8.291 8.235 220 HB2 ASP 27 2HB ASP 27 -7.998 8.631 9.982 221 HB3 ASP 27 3HB ASP 27 -9.232 9.880 10.091 222 H ASP 28 H ASP 28 -7.746 6.735 9.179 223 HA ASP 28 HA ASP 28 -6.916 4.690 9.671 224 HB2 ASP 28 2HB ASP 28 -8.147 5.132 11.829 225 HB3 ASP 28 3HB ASP 28 -9.510 4.214 11.201 226 H HIS 29 H HIS 29 -8.886 5.110 7.339 227 HA HIS 29 HA HIS 29 -9.834 2.384 6.840 228 HB2 HIS 29 2HB HIS 29 -11.341 4.270 6.288 229 HB3 HIS 29 3HB HIS 29 -10.123 4.926 5.197 230 HD1 HIS 29 HD1 HIS 29 -10.165 4.097 2.821 231 HD2 HIS 29 HD2 HIS 29 -12.498 1.761 5.342 232 HE1 HIS 29 HE1 HIS 29 -11.385 2.520 1.323 233 HE2 HIS 29 HE2 HIS 29 -12.606 0.967 2.880 234 H VAL 30 H VAL 30 -8.052 1.185 6.492 235 HA VAL 30 HA VAL 30 -5.805 2.137 4.881 236 HB VAL 30 HB VAL 30 -6.064 -0.348 6.641 237 HG11 VAL 30 1HG1 VAL 30 -4.302 -0.581 4.970 238 HG12 VAL 30 2HG1 VAL 30 -3.599 -0.418 6.577 239 HG13 VAL 30 3HG1 VAL 30 -3.587 0.954 5.461 240 HG21 VAL 30 3HG2 VAL 30 -6.322 1.701 7.985 241 HG22 VAL 30 1HG2 VAL 30 -4.808 2.340 7.342 242 HG23 VAL 30 2HG2 VAL 30 -4.800 0.897 8.361 243 H VAL 31 H VAL 31 -5.144 1.175 3.023 244 HA VAL 31 HA VAL 31 -6.127 -1.521 2.287 245 HB VAL 31 HB VAL 31 -7.025 0.091 0.676 246 HG11 VAL 31 1HG1 VAL 31 -5.604 1.544 -0.718 247 HG12 VAL 31 2HG1 VAL 31 -4.170 1.019 0.172 248 HG13 VAL 31 3HG1 VAL 31 -5.435 1.941 0.994 249 HG21 VAL 31 3HG2 VAL 31 -6.129 -0.823 -1.433 250 HG22 VAL 31 1HG2 VAL 31 -6.342 -2.096 -0.231 251 HG23 VAL 31 2HG2 VAL 31 -4.727 -1.472 -0.578 252 H SER 32 H SER 32 -4.482 -2.990 2.197 253 HA SER 32 HA SER 32 -1.714 -2.027 1.791 254 HB2 SER 32 2HB SER 32 -2.529 -4.225 3.737 255 HB3 SER 32 3HB SER 32 -0.884 -3.665 3.425 256 HG SER 32 HG SER 32 -2.991 -2.056 4.447 257 H LEU 33 H LEU 33 -0.581 -3.054 0.284 258 HA LEU 33 HA LEU 33 -1.688 -5.484 -0.991 259 HB2 LEU 33 2HB LEU 33 0.399 -3.500 -1.939 260 HB3 LEU 33 3HB LEU 33 -0.029 -4.968 -2.804 261 HG LEU 33 HG LEU 33 -1.892 -2.623 -2.280 262 HD11 LEU 33 1HD1 LEU 33 -0.125 -2.058 -3.870 263 HD12 LEU 33 2HD1 LEU 33 -1.672 -2.196 -4.703 264 HD13 LEU 33 3HD1 LEU 33 -0.485 -3.501 -4.821 265 HD21 LEU 33 3HD2 LEU 33 -3.447 -3.759 -3.815 266 HD22 LEU 33 1HD2 LEU 33 -3.136 -4.740 -2.386 267 HD23 LEU 33 2HD2 LEU 33 -2.354 -5.141 -3.918 268 H ILE 34 H ILE 34 -0.726 -7.338 -0.551 269 HA ILE 34 HA ILE 34 1.612 -7.496 1.154 270 HB ILE 34 HB ILE 34 -0.241 -9.649 0.010 271 HG12 ILE 34 2HG1 ILE 34 -0.863 -9.954 2.498 272 HG13 ILE 34 3HG1 ILE 34 0.009 -8.465 2.827 273 HG21 ILE 34 1HG2 ILE 34 1.986 -10.608 0.276 274 HG22 ILE 34 2HG2 ILE 34 0.906 -11.269 1.501 275 HG23 ILE 34 3HG2 ILE 34 2.078 -10.022 1.936 276 HD11 ILE 34 3HD1 ILE 34 -2.385 -8.105 2.732 277 HD12 ILE 34 1HD1 ILE 34 -2.449 -8.734 1.088 278 HD13 ILE 34 2HD1 ILE 34 -1.587 -7.230 1.428 279 H PHE 35 H PHE 35 3.582 -7.360 0.181 280 HA PHE 35 HA PHE 35 4.028 -8.627 -2.465 281 HB2 PHE 35 2HB PHE 35 5.561 -6.383 -1.083 282 HB3 PHE 35 3HB PHE 35 6.087 -7.158 -2.576 283 HD1 PHE 35 HD1 PHE 35 4.795 -6.818 -4.674 284 HD2 PHE 35 HD2 PHE 35 3.724 -4.772 -1.088 285 HE1 PHE 35 HE1 PHE 35 3.428 -5.254 -5.980 286 HE2 PHE 35 HE2 PHE 35 2.371 -3.205 -2.400 287 HZ PHE 35 HZ PHE 35 2.210 -3.440 -4.843 288 H THR 36 H THR 36 4.570 -10.614 -2.016 289 HA THR 36 HA THR 36 6.366 -11.338 0.192 290 HB THR 36 HB THR 36 4.581 -13.047 -1.603 291 HG1 THR 36 HG1 THR 36 3.237 -11.968 -0.265 292 HG21 THR 36 3HG2 THR 36 6.102 -13.826 0.903 293 HG22 THR 36 1HG2 THR 36 6.490 -14.338 -0.745 294 HG23 THR 36 2HG2 THR 36 4.979 -14.850 0.006 295 H GLN 37 H GLN 37 8.505 -11.150 -0.489 296 HA GLN 37 HA GLN 37 9.311 -12.100 -3.127 297 HB2 GLN 37 2HB GLN 37 11.638 -11.609 -2.435 298 HB3 GLN 37 3HB GLN 37 10.576 -10.220 -2.249 299 HG2 GLN 37 2HG GLN 37 10.525 -10.493 0.151 300 HG3 GLN 37 3HG GLN 37 11.376 -12.030 0.047 301 HE21 GLN 37 1HE2 GLN 37 12.352 -9.257 -1.893 302 HE22 GLN 37 2HE2 GLN 37 13.824 -8.956 -1.052 303 H SER 38 H SER 38 9.404 -14.204 -3.516 304 HA SER 38 HA SER 38 9.858 -16.121 -1.375 305 HB2 SER 38 2HB SER 38 9.524 -17.780 -3.330 306 HB3 SER 38 3HB SER 38 8.142 -16.796 -2.860 307 HG SER 38 HG SER 38 9.549 -16.831 -5.220 308 H GLY 39 H GLY 39 11.560 -17.533 -1.307 309 HA2 GLY 39 2HA GLY 39 13.772 -17.569 -3.148 310 HA3 GLY 39 3HA GLY 39 14.147 -16.705 -1.654 311 H LYS 40 H LYS 40 15.741 -18.409 -1.254 312 HA LYS 40 HA LYS 40 14.564 -20.550 0.307 313 HB2 LYS 40 2HB LYS 40 15.992 -22.313 -0.700 314 HB3 LYS 40 3HB LYS 40 14.786 -21.695 -1.802 315 HG2 LYS 40 2HG LYS 40 16.618 -21.906 -3.200 316 HG3 LYS 40 3HG LYS 40 16.732 -20.209 -2.740 317 HD2 LYS 40 2HD LYS 40 18.504 -20.713 -1.147 318 HD3 LYS 40 3HD LYS 40 18.304 -22.446 -1.408 319 HE2 LYS 40 2HE LYS 40 19.023 -22.142 -3.778 320 HE3 LYS 40 3HE LYS 40 19.280 -20.424 -3.461 321 HZ1 LYS 40 3HZ LYS 40 20.928 -21.056 -1.785 322 HZ2 LYS 40 1HZ LYS 40 21.345 -21.623 -3.323 323 HZ3 LYS 40 2HZ LYS 40 20.710 -22.684 -2.174 324 H ARG 41 H ARG 41 15.809 -21.165 2.059 325 HA ARG 41 HA ARG 41 18.184 -19.484 2.561 326 HB2 ARG 41 2HB ARG 41 16.222 -19.263 4.140 327 HB3 ARG 41 3HB ARG 41 16.451 -20.944 4.594 328 HG2 ARG 41 2HG ARG 41 18.736 -20.378 5.407 329 HG3 ARG 41 3HG ARG 41 18.419 -18.680 5.031 330 HD2 ARG 41 2HD ARG 41 16.924 -20.408 7.041 331 HD3 ARG 41 3HD ARG 41 18.062 -19.102 7.419 332 HE ARG 41 HE ARG 41 15.620 -18.478 5.888 333 HH11 ARG 41 2HH1 ARG 41 17.378 -18.168 8.927 334 HH12 ARG 41 1HH1 ARG 41 16.334 -16.929 9.539 335 HH21 ARG 41 2HH2 ARG 41 14.253 -16.885 6.724 336 HH22 ARG 41 1HH2 ARG 41 14.557 -16.199 8.285 337 H ASP 42 H ASP 42 20.049 -20.401 2.860 338 HA ASP 42 HA ASP 42 20.551 -23.239 2.759 339 HB2 ASP 42 2HB ASP 42 21.999 -21.567 1.635 340 HB3 ASP 42 3HB ASP 42 22.354 -20.815 3.169 341 H LEU 43 H LEU 43 20.185 -24.395 4.602 342 HA LEU 43 HA LEU 43 20.092 -23.128 7.211 343 HB2 LEU 43 2HB LEU 43 19.507 -25.962 6.305 344 HB3 LEU 43 3HB LEU 43 19.362 -25.437 7.979 345 HG LEU 43 HG LEU 43 17.756 -24.341 5.635 346 HD11 LEU 43 1HD1 LEU 43 17.028 -26.596 6.230 347 HD12 LEU 43 2HD1 LEU 43 15.812 -25.409 6.689 348 HD13 LEU 43 3HD1 LEU 43 16.857 -26.120 7.923 349 HD21 LEU 43 3HD2 LEU 43 18.135 -22.579 7.260 350 HD22 LEU 43 1HD2 LEU 43 17.632 -23.632 8.586 351 HD23 LEU 43 2HD2 LEU 43 16.463 -23.115 7.371 352 H THR 44 H THR 44 22.709 -24.337 5.548 353 HA THR 44 HA THR 44 23.947 -25.590 7.918 354 HB THR 44 HB THR 44 24.233 -26.821 5.787 355 HG1 THR 44 HG1 THR 44 25.967 -26.486 7.613 356 HG21 THR 44 3HG2 THR 44 24.418 -24.933 4.205 357 HG22 THR 44 1HG2 THR 44 25.790 -26.038 4.062 358 HG23 THR 44 2HG2 THR 44 25.980 -24.498 4.903 359 H ASN 45 H ASN 45 24.357 -22.744 5.819 360 HA ASN 45 HA ASN 45 26.433 -21.662 7.621 361 HB2 ASN 45 2HB ASN 45 26.801 -21.588 5.140 362 HB3 ASN 45 3HB ASN 45 25.376 -20.580 4.973 363 HD21 ASN 45 1HD2 ASN 45 25.487 -18.377 5.656 364 HD22 ASN 45 2HD2 ASN 45 27.002 -17.592 5.918 365 H GLY 46 H GLY 46 23.104 -21.278 6.638 366 HA2 GLY 46 2HA GLY 46 21.356 -20.325 7.894 367 HA3 GLY 46 3HA GLY 46 22.548 -19.556 8.941 368 H LYS 47 H LYS 47 22.356 -19.465 5.429 369 HA LYS 47 HA LYS 47 22.122 -16.506 5.518 370 HB2 LYS 47 2HB LYS 47 23.390 -16.522 3.359 371 HB3 LYS 47 3HB LYS 47 24.317 -17.138 4.721 372 HG2 LYS 47 2HG LYS 47 24.016 -19.434 3.965 373 HG3 LYS 47 3HG LYS 47 22.943 -18.899 2.666 374 HD2 LYS 47 2HD LYS 47 25.885 -18.159 2.926 375 HD3 LYS 47 3HD LYS 47 25.246 -19.419 1.865 376 HE2 LYS 47 2HE LYS 47 23.978 -17.734 0.609 377 HE3 LYS 47 3HE LYS 47 24.550 -16.467 1.696 378 HZ1 LYS 47 3HZ LYS 47 25.839 -16.461 -0.295 379 HZ2 LYS 47 1HZ LYS 47 26.205 -18.105 -0.141 380 HZ3 LYS 47 2HZ LYS 47 26.828 -16.991 0.969 381 H GLU 48 H GLU 48 20.675 -15.538 4.158 382 HA GLU 48 HA GLU 48 18.613 -17.269 2.957 383 HB2 GLU 48 2HB GLU 48 18.634 -14.328 3.708 384 HB3 GLU 48 3HB GLU 48 17.267 -15.134 2.940 385 HG2 GLU 48 2HG GLU 48 16.993 -16.593 4.878 386 HG3 GLU 48 3HG GLU 48 18.432 -15.918 5.626 387 H ILE 49 H ILE 49 18.592 -17.572 0.848 388 HA ILE 49 HA ILE 49 19.992 -15.721 -0.975 389 HB ILE 49 HB ILE 49 19.070 -18.602 -1.496 390 HG12 ILE 49 2HG1 ILE 49 21.673 -18.940 -1.777 391 HG13 ILE 49 3HG1 ILE 49 21.826 -17.438 -0.872 392 HG21 ILE 49 1HG2 ILE 49 20.582 -16.710 -3.327 393 HG22 ILE 49 2HG2 ILE 49 18.933 -17.295 -3.541 394 HG23 ILE 49 3HG2 ILE 49 20.284 -18.422 -3.653 395 HD11 ILE 49 3HD1 ILE 49 20.662 -18.471 1.019 396 HD12 ILE 49 1HD1 ILE 49 22.099 -19.379 0.552 397 HD13 ILE 49 2HD1 ILE 49 20.499 -19.970 0.100 398 H TRP 50 H TRP 50 18.470 -14.149 -1.233 399 HA TRP 50 HA TRP 50 15.735 -14.781 -2.074 400 HB2 TRP 50 2HB TRP 50 17.115 -12.075 -1.756 401 HB3 TRP 50 3HB TRP 50 15.385 -12.345 -1.983 402 HD1 TRP 50 HD1 TRP 50 17.984 -12.063 0.699 403 HE1 TRP 50 HE1 TRP 50 16.917 -12.493 2.987 404 HE3 TRP 50 HE3 TRP 50 13.516 -13.952 -0.849 405 HZ2 TRP 50 HZ2 TRP 50 14.491 -13.480 4.007 406 HZ3 TRP 50 HZ3 TRP 50 11.881 -14.620 0.846 407 HH2 TRP 50 HH2 TRP 50 12.354 -14.391 3.226 408 H ASP 51 H ASP 51 15.009 -14.477 -4.176 409 HA ASP 51 HA ASP 51 16.875 -14.447 -6.334 410 HB2 ASP 51 2HB ASP 51 14.625 -15.586 -6.372 411 HB3 ASP 51 3HB ASP 51 13.862 -14.006 -6.472 412 H SER 52 H SER 52 17.902 -12.710 -7.123 413 HA SER 52 HA SER 52 17.454 -10.073 -6.183 414 HB2 SER 52 2HB SER 52 19.299 -9.454 -7.761 415 HB3 SER 52 3HB SER 52 19.705 -10.870 -6.787 416 HG SER 52 HG SER 52 18.829 -10.816 -9.487 417 H LYS 53 H LYS 53 16.428 -11.787 -9.016 418 HA LYS 53 HA LYS 53 15.693 -9.458 -10.590 419 HB2 LYS 53 2HB LYS 53 15.084 -12.408 -10.990 420 HB3 LYS 53 3HB LYS 53 14.877 -11.151 -12.207 421 HG2 LYS 53 2HG LYS 53 17.253 -10.851 -12.410 422 HG3 LYS 53 3HG LYS 53 17.567 -11.828 -10.976 423 HD2 LYS 53 2HD LYS 53 16.329 -12.953 -13.527 424 HD3 LYS 53 3HD LYS 53 18.065 -12.937 -13.220 425 HE2 LYS 53 2HE LYS 53 17.286 -15.123 -12.635 426 HE3 LYS 53 3HE LYS 53 17.610 -14.287 -11.122 427 HZ1 LYS 53 3HZ LYS 53 15.559 -15.572 -11.069 428 HZ2 LYS 53 1HZ LYS 53 14.921 -14.647 -12.335 429 HZ3 LYS 53 2HZ LYS 53 15.249 -13.930 -10.835 430 H TRP 54 H TRP 54 14.238 -11.288 -8.076 431 HA TRP 54 HA TRP 54 11.568 -11.438 -8.908 432 HB2 TRP 54 2HB TRP 54 12.540 -12.759 -7.013 433 HB3 TRP 54 3HB TRP 54 12.547 -11.305 -6.025 434 HD1 TRP 54 HD1 TRP 54 10.206 -10.554 -4.944 435 HE1 TRP 54 HE1 TRP 54 7.891 -11.660 -4.824 436 HE3 TRP 54 HE3 TRP 54 10.903 -14.301 -8.359 437 HZ2 TRP 54 HZ2 TRP 54 6.532 -13.817 -6.013 438 HZ3 TRP 54 HZ3 TRP 54 9.038 -15.845 -8.810 439 HH2 TRP 54 HH2 TRP 54 6.895 -15.608 -7.658 440 H SER 55 H SER 55 9.945 -10.073 -8.935 441 HA SER 55 HA SER 55 9.672 -7.799 -7.172 442 HB2 SER 55 2HB SER 55 9.204 -6.227 -9.150 443 HB3 SER 55 3HB SER 55 10.899 -6.642 -8.904 444 HG SER 55 HG SER 55 10.025 -8.477 -10.508 445 H LEU 56 H LEU 56 7.504 -7.283 -6.913 446 HA LEU 56 HA LEU 56 5.520 -8.791 -8.532 447 HB2 LEU 56 2HB LEU 56 5.442 -8.062 -5.586 448 HB3 LEU 56 3HB LEU 56 4.055 -8.683 -6.471 449 HG LEU 56 HG LEU 56 6.664 -10.190 -6.039 450 HD11 LEU 56 1HD1 LEU 56 3.980 -10.579 -4.682 451 HD12 LEU 56 2HD1 LEU 56 5.437 -9.920 -3.933 452 HD13 LEU 56 3HD1 LEU 56 5.410 -11.598 -4.468 453 HD21 LEU 56 3HD2 LEU 56 5.460 -12.157 -6.919 454 HD22 LEU 56 1HD2 LEU 56 5.562 -10.876 -8.123 455 HD23 LEU 56 2HD2 LEU 56 4.049 -11.150 -7.255 456 H THR 57 H THR 57 4.101 -7.575 -9.586 457 HA THR 57 HA THR 57 3.747 -4.709 -8.923 458 HB THR 57 HB THR 57 2.929 -6.159 -11.489 459 HG1 THR 57 HG1 THR 57 5.156 -4.430 -11.375 460 HG21 THR 57 3HG2 THR 57 2.828 -3.889 -12.468 461 HG22 THR 57 1HG2 THR 57 3.264 -3.176 -10.912 462 HG23 THR 57 2HG2 THR 57 1.725 -4.024 -11.101 463 H GLN 58 H GLN 58 1.900 -4.256 -7.832 464 HA GLN 58 HA GLN 58 -0.560 -5.790 -8.344 465 HB2 GLN 58 2HB GLN 58 0.624 -5.189 -5.599 466 HB3 GLN 58 3HB GLN 58 -1.040 -5.719 -5.837 467 HG2 GLN 58 2HG GLN 58 -0.323 -7.860 -6.641 468 HG3 GLN 58 3HG GLN 58 1.353 -7.332 -6.753 469 HE21 GLN 58 1HE2 GLN 58 2.067 -9.020 -5.478 470 HE22 GLN 58 2HE2 GLN 58 1.808 -9.091 -3.778 471 H THR 59 H THR 59 -2.462 -4.560 -8.056 472 HA THR 59 HA THR 59 -2.013 -1.660 -8.304 473 HB THR 59 HB THR 59 -4.538 -3.238 -9.003 474 HG1 THR 59 HG1 THR 59 -3.188 -2.461 -11.166 475 HG21 THR 59 3HG2 THR 59 -4.880 -0.791 -8.754 476 HG22 THR 59 1HG2 THR 59 -5.042 -1.285 -10.436 477 HG23 THR 59 2HG2 THR 59 -3.568 -0.484 -9.894 478 H PHE 60 H PHE 60 -2.402 -0.466 -6.459 479 HA PHE 60 HA PHE 60 -4.435 -1.021 -4.540 480 HB2 PHE 60 2HB PHE 60 -3.133 1.586 -5.430 481 HB3 PHE 60 3HB PHE 60 -4.401 1.557 -4.207 482 HD1 PHE 60 HD1 PHE 60 -4.026 -0.043 -2.187 483 HD2 PHE 60 HD2 PHE 60 -0.872 1.338 -4.708 484 HE1 PHE 60 HE1 PHE 60 -2.400 -0.563 -0.427 485 HE2 PHE 60 HE2 PHE 60 0.753 0.823 -2.934 486 HZ PHE 60 HZ PHE 60 -0.011 -0.134 -0.801 487 H GLU 61 H GLU 61 -6.622 -0.810 -4.699 488 HA GLU 61 HA GLU 61 -8.036 0.771 -6.583 489 HB2 GLU 61 2HB GLU 61 -8.905 -1.028 -8.060 490 HB3 GLU 61 3HB GLU 61 -7.161 -0.853 -8.223 491 HG2 GLU 61 2HG GLU 61 -6.780 -2.836 -6.858 492 HG3 GLU 61 3HG GLU 61 -8.504 -2.974 -6.517 493 H ALA 62 H ALA 62 -10.338 0.202 -6.642 494 HA ALA 62 HA ALA 62 -12.348 -0.407 -5.894 495 HB1 ALA 62 3HB ALA 62 -12.664 -2.579 -4.809 496 HB2 ALA 62 1HB ALA 62 -10.933 -2.681 -4.465 497 HB3 ALA 62 2HB ALA 62 -11.508 -2.721 -6.132 498 H LEU 63 H LEU 63 -10.387 1.256 -4.149 499 HA LEU 63 HA LEU 63 -11.141 1.019 -1.441 500 HB2 LEU 63 2HB LEU 63 -9.967 3.260 -3.091 501 HB3 LEU 63 3HB LEU 63 -10.546 3.626 -1.483 502 HG LEU 63 HG LEU 63 -8.144 3.300 -1.438 503 HD11 LEU 63 1HD1 LEU 63 -9.437 2.646 0.548 504 HD12 LEU 63 2HD1 LEU 63 -7.985 1.668 0.378 505 HD13 LEU 63 3HD1 LEU 63 -9.555 0.991 -0.059 506 HD21 LEU 63 3HD2 LEU 63 -7.066 1.172 -1.968 507 HD22 LEU 63 1HD2 LEU 63 -7.886 1.815 -3.389 508 HD23 LEU 63 2HD2 LEU 63 -8.607 0.481 -2.481 509 HA PRO 64 HA PRO 64 -15.384 2.619 -2.122 510 HB2 PRO 64 2HB PRO 64 -16.325 2.158 0.416 511 HB3 PRO 64 3HB PRO 64 -16.144 0.845 -0.772 512 HG2 PRO 64 2HG PRO 64 -14.293 1.648 1.454 513 HG3 PRO 64 3HG PRO 64 -14.858 0.026 0.984 514 HD2 PRO 64 2HD PRO 64 -12.429 0.965 0.233 515 HD3 PRO 64 3HD PRO 64 -13.376 -0.126 -0.799 516 H SER 65 H SER 65 -16.635 4.429 -1.046 517 HA SER 65 HA SER 65 -15.185 6.263 0.684 518 HB2 SER 65 2HB SER 65 -14.239 6.641 -1.655 519 HB3 SER 65 3HB SER 65 -15.847 7.134 -2.173 520 HG SER 65 HG SER 65 -14.742 8.389 0.064 521 HA PRO 66 HA PRO 66 -19.586 6.620 1.681 522 HB2 PRO 66 2HB PRO 66 -19.398 8.719 3.503 523 HB3 PRO 66 3HB PRO 66 -19.051 7.024 3.897 524 HG2 PRO 66 2HG PRO 66 -17.140 9.231 3.215 525 HG3 PRO 66 3HG PRO 66 -17.032 7.984 4.482 526 HD2 PRO 66 2HD PRO 66 -15.662 7.739 2.183 527 HD3 PRO 66 3HD PRO 66 -16.363 6.321 2.991 528 H VAL 67 H VAL 67 -21.066 7.566 0.359 529 HA VAL 67 HA VAL 67 -20.531 10.042 -1.069 530 HB VAL 67 HB VAL 67 -23.144 8.434 -0.895 531 HG11 VAL 67 1HG1 VAL 67 -23.484 10.729 -1.711 532 HG12 VAL 67 2HG1 VAL 67 -23.769 9.562 -3.001 533 HG13 VAL 67 3HG1 VAL 67 -22.263 10.486 -2.961 534 HG21 VAL 67 3HG2 VAL 67 -22.497 7.358 -3.022 535 HG22 VAL 67 1HG2 VAL 67 -21.316 7.012 -1.757 536 HG23 VAL 67 2HG2 VAL 67 -20.951 8.210 -2.999 537 H ILE 68 H ILE 68 -20.574 11.857 0.156 538 HA ILE 68 HA ILE 68 -22.486 12.102 2.396 539 HB ILE 68 HB ILE 68 -20.028 13.840 1.830 540 HG12 ILE 68 2HG1 ILE 68 -20.273 11.439 3.720 541 HG13 ILE 68 3HG1 ILE 68 -19.317 11.486 2.244 542 HG21 ILE 68 1HG2 ILE 68 -21.708 13.520 4.360 543 HG22 ILE 68 2HG2 ILE 68 -21.757 14.896 3.256 544 HG23 ILE 68 3HG2 ILE 68 -20.293 14.564 4.179 545 HD11 ILE 68 3HD1 ILE 68 -17.877 13.210 3.277 546 HD12 ILE 68 1HD1 ILE 68 -17.906 11.695 4.181 547 HD13 ILE 68 2HD1 ILE 68 -18.832 13.080 4.757 548 H ILE 69 H ILE 69 -24.287 13.210 1.929 549 HA ILE 69 HA ILE 69 -24.582 14.689 -0.521 550 HB ILE 69 HB ILE 69 -26.593 14.326 1.750 551 HG12 ILE 69 2HG1 ILE 69 -25.902 12.117 0.916 552 HG13 ILE 69 3HG1 ILE 69 -27.538 12.455 0.375 553 HG21 ILE 69 1HG2 ILE 69 -27.053 15.108 -1.152 554 HG22 ILE 69 2HG2 ILE 69 -27.216 16.167 0.249 555 HG23 ILE 69 3HG2 ILE 69 -28.319 14.806 0.045 556 HD11 ILE 69 3HD1 ILE 69 -25.033 12.634 -1.313 557 HD12 ILE 69 1HD1 ILE 69 -26.669 13.013 -1.860 558 HD13 ILE 69 2HD1 ILE 69 -26.261 11.371 -1.375 559 H GLY 70 H GLY 70 -24.785 16.879 -0.770 560 HA2 GLY 70 2HA GLY 70 -24.621 19.140 -0.270 561 HA3 GLY 70 3HA GLY 70 -24.513 18.750 1.444 562 H TYR 71 H TYR 71 -22.405 16.775 -0.249 563 HA TYR 71 HA TYR 71 -20.113 18.627 -0.114 564 HB2 TYR 71 2HB TYR 71 -20.285 15.880 1.211 565 HB3 TYR 71 3HB TYR 71 -18.764 16.724 0.920 566 HD1 TYR 71 HD2 TYR 71 -21.934 16.829 2.892 567 HD2 TYR 71 HD1 TYR 71 -18.098 18.623 2.333 568 HE1 TYR 71 HE2 TYR 71 -22.206 18.076 4.980 569 HE2 TYR 71 HE1 TYR 71 -18.393 19.879 4.416 570 HH TYR 71 HH TYR 71 -20.137 20.640 5.869 571 H THR 72 H THR 72 -18.170 17.596 -1.109 572 HA THR 72 HA THR 72 -18.541 15.678 -3.227 573 HB THR 72 HB THR 72 -18.032 18.635 -3.885 574 HG1 THR 72 HG1 THR 72 -20.227 16.954 -4.116 575 HG21 THR 72 3HG2 THR 72 -17.935 16.252 -5.783 576 HG22 THR 72 1HG2 THR 72 -16.557 17.245 -5.292 577 HG23 THR 72 2HG2 THR 72 -17.852 17.949 -6.256 578 H ALA 73 H ALA 73 -16.669 14.530 -3.093 579 HA ALA 73 HA ALA 73 -14.433 15.495 -1.564 580 HB1 ALA 73 3HB ALA 73 -13.452 13.284 -1.957 581 HB2 ALA 73 1HB ALA 73 -14.706 12.921 -3.148 582 HB3 ALA 73 2HB ALA 73 -15.137 13.143 -1.454 583 H ASP 74 H ASP 74 -12.335 15.744 -2.245 584 HA ASP 74 HA ASP 74 -11.801 16.860 -4.826 585 HB2 ASP 74 2HB ASP 74 -10.710 17.693 -2.758 586 HB3 ASP 74 3HB ASP 74 -9.972 16.118 -2.498 587 H LYS 75 H LYS 75 -11.419 13.791 -3.268 588 HA LYS 75 HA LYS 75 -10.991 12.470 -5.802 589 HB2 LYS 75 2HB LYS 75 -9.172 10.986 -4.795 590 HB3 LYS 75 3HB LYS 75 -8.682 12.621 -5.203 591 HG2 LYS 75 2HG LYS 75 -9.574 12.228 -2.390 592 HG3 LYS 75 3HG LYS 75 -8.100 11.375 -2.826 593 HD2 LYS 75 2HD LYS 75 -8.559 14.368 -3.141 594 HD3 LYS 75 3HD LYS 75 -7.653 13.608 -1.826 595 HE2 LYS 75 2HE LYS 75 -6.050 12.709 -3.490 596 HE3 LYS 75 3HE LYS 75 -6.947 13.508 -4.779 597 HZ1 LYS 75 3HZ LYS 75 -5.564 14.862 -2.530 598 HZ2 LYS 75 1HZ LYS 75 -6.443 15.632 -3.755 599 HZ3 LYS 75 2HZ LYS 75 -5.024 14.784 -4.130 600 HA PRO 76 HA PRO 76 -13.995 10.150 -3.159 601 HB2 PRO 76 2HB PRO 76 -15.921 9.762 -5.026 602 HB3 PRO 76 3HB PRO 76 -15.711 11.341 -4.235 603 HG2 PRO 76 2HG PRO 76 -14.832 10.455 -6.954 604 HG3 PRO 76 3HG PRO 76 -15.541 12.004 -6.446 605 HD2 PRO 76 2HD PRO 76 -12.821 11.559 -6.827 606 HD3 PRO 76 3HD PRO 76 -13.496 12.873 -5.844 607 H MET 77 H MET 77 -11.868 9.309 -5.572 608 HA MET 77 HA MET 77 -12.278 6.450 -5.137 609 HB2 MET 77 2HB MET 77 -13.580 6.996 -7.223 610 HB3 MET 77 3HB MET 77 -12.106 7.608 -7.962 611 HG2 MET 77 2HG MET 77 -11.116 5.387 -7.908 612 HG3 MET 77 3HG MET 77 -12.525 4.747 -7.058 613 HE1 MET 77 3HE MET 77 -11.338 3.430 -9.745 614 HE2 MET 77 1HE MET 77 -12.820 3.104 -10.644 615 HE3 MET 77 2HE MET 77 -12.752 2.786 -8.909 616 H VAL 78 H VAL 78 -10.357 6.990 -3.821 617 HA VAL 78 HA VAL 78 -7.820 7.375 -5.242 618 HB VAL 78 HB VAL 78 -8.224 6.616 -2.303 619 HG11 VAL 78 1HG1 VAL 78 -5.917 6.220 -3.090 620 HG12 VAL 78 2HG1 VAL 78 -5.956 7.568 -1.956 621 HG13 VAL 78 3HG1 VAL 78 -5.809 7.878 -3.690 622 HG21 VAL 78 3HG2 VAL 78 -7.999 9.012 -1.793 623 HG22 VAL 78 1HG2 VAL 78 -9.417 8.689 -2.791 624 HG23 VAL 78 2HG2 VAL 78 -7.968 9.389 -3.518 625 H GLY 79 H GLY 79 -6.161 5.775 -5.276 626 HA2 GLY 79 2HA GLY 79 -5.568 3.418 -4.628 627 HA3 GLY 79 3HA GLY 79 -7.123 2.969 -5.315 628 HA PRO 80 HA PRO 80 -6.213 1.833 -9.253 629 HB2 PRO 80 2HB PRO 80 -6.833 4.573 -10.425 630 HB3 PRO 80 3HB PRO 80 -7.304 2.966 -11.038 631 HG2 PRO 80 2HG PRO 80 -8.997 4.483 -9.615 632 HG3 PRO 80 3HG PRO 80 -8.978 2.712 -9.475 633 HD2 PRO 80 2HD PRO 80 -8.130 4.741 -7.504 634 HD3 PRO 80 3HD PRO 80 -8.516 3.031 -7.251 635 H ASP 81 H ASP 81 -3.874 1.848 -8.436 636 HA ASP 81 HA ASP 81 -2.263 2.583 -10.698 637 HB2 ASP 81 2HB ASP 81 -0.658 4.014 -9.733 638 HB3 ASP 81 3HB ASP 81 -2.181 4.663 -9.157 639 H GLU 82 H GLU 82 -0.485 1.354 -10.878 640 HA GLU 82 HA GLU 82 -0.322 -1.022 -9.166 641 HB2 GLU 82 2HB GLU 82 1.129 -0.459 -11.782 642 HB3 GLU 82 3HB GLU 82 1.039 -2.003 -10.934 643 HG2 GLU 82 2HG GLU 82 -1.489 -1.879 -11.269 644 HG3 GLU 82 3HG GLU 82 -1.189 -0.529 -12.360 645 H VAL 83 H VAL 83 1.060 -1.074 -7.535 646 HA VAL 83 HA VAL 83 3.624 0.374 -7.593 647 HB VAL 83 HB VAL 83 2.170 -1.094 -5.336 648 HG11 VAL 83 1HG1 VAL 83 4.764 0.491 -5.158 649 HG12 VAL 83 2HG1 VAL 83 4.599 -1.254 -4.976 650 HG13 VAL 83 3HG1 VAL 83 3.870 -0.176 -3.787 651 HG21 VAL 83 3HG2 VAL 83 2.613 1.874 -5.828 652 HG22 VAL 83 1HG2 VAL 83 1.830 1.177 -4.405 653 HG23 VAL 83 2HG2 VAL 83 1.090 0.996 -5.996 654 H THR 84 H THR 84 5.466 -0.719 -8.070 655 HA THR 84 HA THR 84 5.508 -3.682 -7.914 656 HB THR 84 HB THR 84 7.369 -1.886 -9.543 657 HG1 THR 84 HG1 THR 84 5.122 -1.978 -10.254 658 HG21 THR 84 3HG2 THR 84 8.044 -3.975 -10.662 659 HG22 THR 84 1HG2 THR 84 6.964 -4.907 -9.624 660 HG23 THR 84 2HG2 THR 84 8.363 -4.080 -8.930 661 H VAL 85 H VAL 85 6.297 -4.180 -5.940 662 HA VAL 85 HA VAL 85 8.693 -2.807 -4.923 663 HB VAL 85 HB VAL 85 6.955 -4.995 -3.668 664 HG11 VAL 85 1HG1 VAL 85 9.259 -3.425 -2.441 665 HG12 VAL 85 2HG1 VAL 85 9.244 -5.150 -2.815 666 HG13 VAL 85 3HG1 VAL 85 8.178 -4.515 -1.564 667 HG21 VAL 85 3HG2 VAL 85 7.116 -2.002 -3.096 668 HG22 VAL 85 1HG2 VAL 85 6.162 -3.173 -2.175 669 HG23 VAL 85 2HG2 VAL 85 5.774 -2.858 -3.864 670 H ASP 86 H ASP 86 10.457 -3.453 -5.843 671 HA ASP 86 HA ASP 86 11.012 -6.130 -6.832 672 HB2 ASP 86 2HB ASP 86 12.868 -3.709 -6.555 673 HB3 ASP 86 3HB ASP 86 13.149 -5.132 -7.549 674 H SER 87 H SER 87 12.987 -7.284 -6.024 675 HA SER 87 HA SER 87 13.171 -7.454 -3.187 676 HB2 SER 87 2HB SER 87 15.000 -8.626 -5.324 677 HB3 SER 87 3HB SER 87 15.023 -9.070 -3.614 678 HG SER 87 HG SER 87 13.686 -10.355 -5.254 679 H LYS 88 H LYS 88 14.906 -5.591 -5.555 680 HA LYS 88 HA LYS 88 17.166 -4.913 -3.895 681 HB2 LYS 88 2HB LYS 88 17.691 -3.228 -5.686 682 HB3 LYS 88 3HB LYS 88 17.552 -4.891 -6.244 683 HG2 LYS 88 2HG LYS 88 15.310 -4.440 -7.118 684 HG3 LYS 88 3HG LYS 88 15.394 -2.780 -6.522 685 HD2 LYS 88 2HD LYS 88 17.210 -2.266 -8.064 686 HD3 LYS 88 3HD LYS 88 17.307 -3.953 -8.581 687 HE2 LYS 88 2HE LYS 88 14.899 -2.144 -8.999 688 HE3 LYS 88 3HE LYS 88 16.128 -2.486 -10.216 689 HZ1 LYS 88 3HZ LYS 88 14.401 -4.551 -8.949 690 HZ2 LYS 88 1HZ LYS 88 15.497 -4.783 -10.216 691 HZ3 LYS 88 2HZ LYS 88 14.111 -3.845 -10.457 692 H ASN 89 H ASN 89 14.012 -3.416 -4.467 693 HA ASN 89 HA ASN 89 14.715 -1.355 -2.435 694 HB2 ASN 89 2HB ASN 89 13.134 0.185 -3.383 695 HB3 ASN 89 3HB ASN 89 14.133 -0.402 -4.703 696 HD21 ASN 89 1HD2 ASN 89 11.432 0.811 -4.714 697 HD22 ASN 89 2HD2 ASN 89 10.421 -0.320 -5.536 698 H PHE 90 H PHE 90 13.748 -4.148 -2.104 699 HA PHE 90 HA PHE 90 11.040 -4.302 -1.375 700 HB2 PHE 90 2HB PHE 90 12.611 -6.238 -1.771 701 HB3 PHE 90 3HB PHE 90 13.334 -5.931 -0.195 702 HD1 PHE 90 HD1 PHE 90 10.214 -6.985 -1.927 703 HD2 PHE 90 HD2 PHE 90 12.229 -6.707 1.833 704 HE1 PHE 90 HE1 PHE 90 8.513 -8.429 -0.906 705 HE2 PHE 90 HE2 PHE 90 10.526 -8.156 2.846 706 HZ PHE 90 HZ PHE 90 8.665 -9.021 1.482 707 H LEU 91 H LEU 91 13.897 -3.698 0.592 708 HA LEU 91 HA LEU 91 12.493 -3.442 3.093 709 HB2 LEU 91 2HB LEU 91 15.366 -2.847 2.301 710 HB3 LEU 91 3HB LEU 91 14.759 -2.639 3.930 711 HG LEU 91 HG LEU 91 15.973 -4.703 3.874 712 HD11 LEU 91 1HD1 LEU 91 13.014 -5.385 3.853 713 HD12 LEU 91 2HD1 LEU 91 13.909 -4.732 5.226 714 HD13 LEU 91 3HD1 LEU 91 14.299 -6.334 4.605 715 HD21 LEU 91 3HD2 LEU 91 15.966 -5.152 1.454 716 HD22 LEU 91 1HD2 LEU 91 14.262 -5.618 1.534 717 HD23 LEU 91 2HD2 LEU 91 15.484 -6.574 2.373 718 H ASP 92 H ASP 92 12.993 -1.349 0.443 719 HA ASP 92 HA ASP 92 12.786 1.138 1.938 720 HB2 ASP 92 2HB ASP 92 12.600 0.605 -1.056 721 HB3 ASP 92 3HB ASP 92 12.589 2.209 -0.322 722 H LYS 93 H LYS 93 10.936 1.873 2.720 723 HA LYS 93 HA LYS 93 8.395 0.677 2.150 724 HB2 LYS 93 2HB LYS 93 7.474 2.312 3.746 725 HB3 LYS 93 3HB LYS 93 8.879 1.478 4.398 726 HG2 LYS 93 2HG LYS 93 10.286 3.423 3.975 727 HG3 LYS 93 3HG LYS 93 8.945 4.288 3.233 728 HD2 LYS 93 2HD LYS 93 8.964 3.345 6.133 729 HD3 LYS 93 3HD LYS 93 9.492 4.951 5.626 730 HE2 LYS 93 2HE LYS 93 7.228 5.373 4.689 731 HE3 LYS 93 3HE LYS 93 6.705 3.791 5.266 732 HZ1 LYS 93 3HZ LYS 93 7.693 5.991 7.004 733 HZ2 LYS 93 1HZ LYS 93 7.084 4.502 7.527 734 HZ3 LYS 93 2HZ LYS 93 6.065 5.612 6.754 735 H GLN 94 H GLN 94 6.698 1.509 1.136 736 HA GLN 94 HA GLN 94 6.658 4.260 0.123 737 HB2 GLN 94 2HB GLN 94 5.553 3.454 -2.005 738 HB3 GLN 94 3HB GLN 94 7.241 2.988 -1.876 739 HG2 GLN 94 2HG GLN 94 4.901 1.155 -1.303 740 HG3 GLN 94 3HG GLN 94 5.744 1.247 -2.843 741 HE21 GLN 94 1HE2 GLN 94 7.836 0.345 -3.008 742 HE22 GLN 94 2HE2 GLN 94 8.452 -0.747 -1.818 743 H ASN 95 H ASN 95 5.579 2.394 2.346 744 HA ASN 95 HA ASN 95 2.708 2.701 2.134 745 HB2 ASN 95 2HB ASN 95 2.647 1.864 4.461 746 HB3 ASN 95 3HB ASN 95 3.576 0.800 3.413 747 HD21 ASN 95 1HD2 ASN 95 3.763 3.115 6.057 748 HD22 ASN 95 2HD2 ASN 95 5.345 2.666 6.580 749 H ARG 96 H ARG 96 1.444 4.253 3.328 750 HA ARG 96 HA ARG 96 2.556 6.484 4.685 751 HB2 ARG 96 2HB ARG 96 3.577 6.697 2.368 752 HB3 ARG 96 3HB ARG 96 1.967 6.943 1.733 753 HG2 ARG 96 2HG ARG 96 1.771 9.025 3.066 754 HG3 ARG 96 3HG ARG 96 3.404 8.774 3.691 755 HD2 ARG 96 2HD ARG 96 3.173 10.394 1.708 756 HD3 ARG 96 3HD ARG 96 4.393 9.122 1.559 757 HE ARG 96 HE ARG 96 3.131 8.060 -0.046 758 HH11 ARG 96 1HH1 ARG 96 1.228 10.716 1.225 759 HH12 ARG 96 2HH1 ARG 96 0.054 10.626 -0.038 760 HH21 ARG 96 2HH2 ARG 96 1.590 7.920 -1.652 761 HH22 ARG 96 1HH2 ARG 96 0.256 9.031 -1.691 762 H GLU 97 H GLU 97 0.965 8.389 4.625 763 HA GLU 97 HA GLU 97 -1.773 7.369 4.924 764 HB2 GLU 97 2HB GLU 97 -0.451 8.598 6.768 765 HB3 GLU 97 3HB GLU 97 -0.632 10.059 5.809 766 HG2 GLU 97 2HG GLU 97 -3.004 8.450 6.798 767 HG3 GLU 97 3HG GLU 97 -2.221 9.683 7.780 768 H GLU 98 H GLU 98 -3.435 8.105 3.625 769 HA GLU 98 HA GLU 98 -2.919 10.193 1.588 770 HB2 GLU 98 2HB GLU 98 -4.197 7.459 1.230 771 HB3 GLU 98 3HB GLU 98 -4.485 8.762 0.082 772 HG2 GLU 98 2HG GLU 98 -1.706 7.802 0.779 773 HG3 GLU 98 3HG GLU 98 -2.687 7.046 -0.481 774 H THR 99 H THR 99 -4.254 11.862 2.062 775 HA THR 99 HA THR 99 -6.773 11.384 3.466 776 HB THR 99 HB THR 99 -5.382 14.054 2.897 777 HG1 THR 99 HG1 THR 99 -4.739 12.070 4.621 778 HG21 THR 99 3HG2 THR 99 -6.759 14.897 4.770 779 HG22 THR 99 1HG2 THR 99 -7.528 13.318 4.932 780 HG23 THR 99 2HG2 THR 99 -7.783 14.279 3.473 781 H VAL 100 H VAL 100 -8.681 11.448 2.343 782 HA VAL 100 HA VAL 100 -8.870 13.012 -0.152 783 HB VAL 100 HB VAL 100 -10.897 11.963 -0.668 784 HG11 VAL 100 1HG1 VAL 100 -10.624 9.541 -0.361 785 HG12 VAL 100 2HG1 VAL 100 -9.430 9.824 0.909 786 HG13 VAL 100 3HG1 VAL 100 -9.086 10.314 -0.750 787 HG21 VAL 100 3HG2 VAL 100 -12.153 12.444 1.367 788 HG22 VAL 100 1HG2 VAL 100 -11.280 11.181 2.239 789 HG23 VAL 100 2HG2 VAL 100 -12.366 10.754 0.916 790 H ILE 101 H ILE 101 -10.179 14.850 -0.313 791 HA ILE 101 HA ILE 101 -11.003 16.103 2.266 792 HB ILE 101 HB ILE 101 -9.870 17.390 -0.267 793 HG12 ILE 101 2HG1 ILE 101 -8.132 16.401 1.188 794 HG13 ILE 101 3HG1 ILE 101 -8.023 18.154 1.227 795 HG21 ILE 101 1HG2 ILE 101 -10.959 18.790 2.203 796 HG22 ILE 101 2HG2 ILE 101 -11.631 18.852 0.574 797 HG23 ILE 101 3HG2 ILE 101 -10.058 19.579 0.903 798 HD11 ILE 101 3HD1 ILE 101 -9.218 16.396 3.382 799 HD12 ILE 101 1HD1 ILE 101 -9.170 18.160 3.413 800 HD13 ILE 101 2HD1 ILE 101 -7.669 17.238 3.444 801 H TYR 102 H TYR 102 -13.153 16.048 2.438 802 HA TYR 102 HA TYR 102 -14.950 16.242 0.152 803 HB2 TYR 102 2HB TYR 102 -15.447 15.767 3.115 804 HB3 TYR 102 3HB TYR 102 -16.748 15.995 1.952 805 HD1 TYR 102 HD2 TYR 102 -17.224 14.259 0.259 806 HD2 TYR 102 HD1 TYR 102 -14.232 13.646 3.236 807 HE1 TYR 102 HE2 TYR 102 -17.263 11.843 -0.192 808 HE2 TYR 102 HE1 TYR 102 -14.279 11.239 2.786 809 HH TYR 102 HH TYR 102 -15.894 9.904 0.094 810 H SER 103 H SER 103 -15.008 18.300 -0.553 811 HA SER 103 HA SER 103 -15.253 20.539 1.302 812 HB2 SER 103 2HB SER 103 -15.251 20.449 -1.749 813 HB3 SER 103 3HB SER 103 -15.143 21.896 -0.727 814 HG SER 103 HG SER 103 -13.133 21.361 -0.147 815 H ALA 104 H ALA 104 -17.131 22.080 0.741 816 HA ALA 104 HA ALA 104 -19.704 20.935 0.794 817 HB1 ALA 104 3HB ALA 104 -19.191 23.228 1.536 818 HB2 ALA 104 1HB ALA 104 -20.500 23.206 0.351 819 HB3 ALA 104 2HB ALA 104 -18.875 23.695 -0.136 820 H ASN 105 H ASN 105 -21.398 21.080 -0.948 821 HA ASN 105 HA ASN 105 -20.564 19.344 -2.967 822 HB2 ASN 105 2HB ASN 105 -22.905 19.524 -2.007 823 HB3 ASN 105 3HB ASN 105 -23.156 20.925 -3.040 824 HD21 ASN 105 1HD2 ASN 105 -22.480 17.462 -3.067 825 HD22 ASN 105 2HD2 ASN 105 -23.129 17.174 -4.642 826 H THR 106 H THR 106 -20.617 19.499 -5.209 827 HA THR 106 HA THR 106 -19.078 21.359 -6.459 828 HB THR 106 HB THR 106 -19.512 19.193 -7.448 829 HG1 THR 106 HG1 THR 106 -20.376 21.349 -9.126 830 HG21 THR 106 3HG2 THR 106 -21.897 18.986 -6.757 831 HG22 THR 106 1HG2 THR 106 -21.659 18.575 -8.465 832 HG23 THR 106 2HG2 THR 106 -22.350 20.139 -8.015 833 H ILE 107 H ILE 107 -22.497 21.656 -5.831 834 HA ILE 107 HA ILE 107 -23.219 23.675 -7.662 835 HB ILE 107 HB ILE 107 -24.315 23.161 -4.867 836 HG12 ILE 107 2HG1 ILE 107 -25.422 22.074 -7.496 837 HG13 ILE 107 3HG1 ILE 107 -24.303 21.166 -6.485 838 HG21 ILE 107 1HG2 ILE 107 -25.634 24.597 -7.211 839 HG22 ILE 107 2HG2 ILE 107 -25.062 25.339 -5.716 840 HG23 ILE 107 3HG2 ILE 107 -26.411 24.210 -5.666 841 HD11 ILE 107 3HD1 ILE 107 -25.913 21.189 -4.666 842 HD12 ILE 107 1HD1 ILE 107 -26.587 20.480 -6.132 843 HD13 ILE 107 2HD1 ILE 107 -27.036 22.119 -5.665 844 H THR 108 H THR 108 -22.088 23.950 -4.226 845 HA THR 108 HA THR 108 -22.012 26.885 -4.469 846 HB THR 108 HB THR 108 -23.035 25.822 -2.460 847 HG1 THR 108 HG1 THR 108 -20.708 27.386 -1.877 848 HG21 THR 108 3HG2 THR 108 -20.191 24.990 -1.786 849 HG22 THR 108 1HG2 THR 108 -21.515 23.894 -2.206 850 HG23 THR 108 2HG2 THR 108 -21.586 24.841 -0.721 851 H GLN 109 H GLN 109 -19.842 24.389 -5.084 852 HA GLN 109 HA GLN 109 -17.426 25.358 -3.934 853 HB2 GLN 109 2HB GLN 109 -17.895 23.566 -6.339 854 HB3 GLN 109 3HB GLN 109 -16.283 23.993 -5.775 855 HG2 GLN 109 2HG GLN 109 -16.835 23.014 -3.569 856 HG3 GLN 109 3HG GLN 109 -18.395 22.508 -4.209 857 HE21 GLN 109 1HE2 GLN 109 -16.429 20.794 -3.085 858 HE22 GLN 109 2HE2 GLN 109 -15.891 19.700 -4.307 859 H ASN 110 H ASN 110 -17.303 27.536 -4.226 860 HA ASN 110 HA ASN 110 -17.549 28.827 -6.754 861 HB2 ASN 110 2HB ASN 110 -16.971 30.889 -5.562 862 HB3 ASN 110 3HB ASN 110 -18.143 29.969 -4.631 863 HD21 ASN 110 1HD2 ASN 110 -17.444 28.869 -2.740 864 HD22 ASN 110 2HD2 ASN 110 -16.000 29.330 -1.917 865 H LYS 111 H LYS 111 -16.029 29.490 -8.116 866 HA LYS 111 HA LYS 111 -13.235 28.627 -7.687 867 HB2 LYS 111 2HB LYS 111 -14.905 28.628 -10.226 868 HB3 LYS 111 3HB LYS 111 -13.182 28.250 -10.168 869 HG2 LYS 111 2HG LYS 111 -13.637 26.273 -8.812 870 HG3 LYS 111 3HG LYS 111 -15.355 26.681 -8.737 871 HD2 LYS 111 2HD LYS 111 -15.617 26.306 -11.107 872 HD3 LYS 111 3HD LYS 111 -13.872 26.105 -11.327 873 HE2 LYS 111 2HE LYS 111 -15.704 24.269 -9.745 874 HE3 LYS 111 3HE LYS 111 -15.015 23.933 -11.334 875 HZ1 LYS 111 3HZ LYS 111 -13.756 22.837 -9.619 876 HZ2 LYS 111 1HZ LYS 111 -13.485 24.301 -8.816 877 HZ3 LYS 111 2HZ LYS 111 -12.805 24.034 -10.342 878 H LYS 112 H LYS 112 -11.662 30.030 -8.344 879 HA LYS 112 HA LYS 112 -12.327 32.784 -8.999 880 HB2 LYS 112 2HB LYS 112 -9.576 31.452 -9.111 881 HB3 LYS 112 3HB LYS 112 -9.923 33.180 -9.014 882 HG2 LYS 112 2HG LYS 112 -10.882 32.793 -6.727 883 HG3 LYS 112 3HG LYS 112 -10.396 31.101 -6.861 884 HD2 LYS 112 2HD LYS 112 -8.717 32.273 -5.569 885 HD3 LYS 112 3HD LYS 112 -8.015 31.843 -7.130 886 HE2 LYS 112 2HE LYS 112 -8.372 34.152 -7.935 887 HE3 LYS 112 3HE LYS 112 -9.111 34.586 -6.391 888 HZ1 LYS 112 3HZ LYS 112 -6.797 35.283 -6.536 889 HZ2 LYS 112 1HZ LYS 112 -6.309 33.678 -6.765 890 HZ3 LYS 112 2HZ LYS 112 -7.010 34.149 -5.298 891 H ASP 113 H ASP 113 -10.374 30.225 -10.528 892 HA ASP 113 HA ASP 113 -10.086 29.459 -12.644 893 HB2 ASP 113 2HB ASP 113 -12.546 28.973 -12.198 894 HB3 ASP 113 3HB ASP 113 -12.959 30.433 -13.079 895 H GLY 114 H GLY 114 -10.792 30.359 -15.200 896 HA2 GLY 114 2HA GLY 114 -11.139 32.881 -15.972 897 HA3 GLY 114 3HA GLY 114 -9.448 32.926 -15.466 898 H LEU 115 H LEU 115 -8.379 30.672 -16.253 899 HA LEU 115 HA LEU 115 -7.392 29.528 -17.951 900 HB2 LEU 115 2HB LEU 115 -9.983 29.996 -19.431 901 HB3 LEU 115 3HB LEU 115 -8.782 28.768 -19.823 902 HG LEU 115 HG LEU 115 -10.432 28.852 -17.265 903 HD11 LEU 115 1HD1 LEU 115 -10.789 27.085 -19.685 904 HD12 LEU 115 2HD1 LEU 115 -11.843 28.406 -19.178 905 HD13 LEU 115 3HD1 LEU 115 -11.693 26.970 -18.167 906 HD21 LEU 115 3HD2 LEU 115 -8.284 27.750 -16.890 907 HD22 LEU 115 1HD2 LEU 115 -8.542 26.702 -18.284 908 HD23 LEU 115 2HD2 LEU 115 -9.579 26.556 -16.861 909 H GLU 116 H GLU 116 -7.868 32.643 -18.021 910 HA GLU 116 HA GLU 116 -7.372 33.554 -20.678 911 HB2 GLU 116 2HB GLU 116 -7.020 34.949 -17.994 912 HB3 GLU 116 3HB GLU 116 -7.024 35.767 -19.554 913 HG2 GLU 116 2HG GLU 116 -9.345 35.343 -19.879 914 HG3 GLU 116 3HG GLU 116 -9.379 34.133 -18.598 915 H HIS 117 H HIS 117 -5.397 35.309 -20.709 916 HA HIS 117 HA HIS 117 -2.948 33.715 -20.607 917 HB2 HIS 117 2HB HIS 117 -3.517 36.474 -21.761 918 HB3 HIS 117 3HB HIS 117 -1.959 35.662 -21.877 919 HD1 HIS 117 HD1 HIS 117 -1.652 34.178 -23.882 920 HD2 HIS 117 HD2 HIS 117 -5.663 34.995 -23.196 921 HE1 HIS 117 HE1 HIS 117 -2.881 33.174 -25.824 922 HE2 HIS 117 HE2 HIS 117 -5.271 33.880 -25.506 923 H HIS 118 H HIS 118 -4.468 35.319 -18.294 924 HA HIS 118 HA HIS 118 -2.743 37.246 -17.218 925 HB2 HIS 118 2HB HIS 118 -5.042 37.151 -16.499 926 HB3 HIS 118 3HB HIS 118 -4.877 35.494 -15.944 927 HD1 HIS 118 HD1 HIS 118 -3.834 39.012 -15.003 928 HD2 HIS 118 HD2 HIS 118 -4.016 35.209 -13.319 929 HE1 HIS 118 HE1 HIS 118 -3.293 39.324 -12.564 930 HE2 HIS 118 HE2 HIS 118 -3.349 37.008 -11.576 931 H HIS 119 H HIS 119 -0.700 36.904 -16.644 932 HA HIS 119 HA HIS 119 1.128 36.251 -15.511 933 HB2 HIS 119 2HB HIS 119 -0.587 36.387 -13.591 934 HB3 HIS 119 3HB HIS 119 -0.663 34.640 -13.649 935 HD1 HIS 119 HD1 HIS 119 1.639 37.454 -12.678 936 HD2 HIS 119 HD2 HIS 119 1.491 33.309 -12.435 937 HE1 HIS 119 HE1 HIS 119 3.510 36.800 -11.133 938 HE2 HIS 119 HE2 HIS 119 3.524 34.286 -11.161 939 H HIS 120 H HIS 120 0.160 34.598 -17.759 940 HA HIS 120 HA HIS 120 1.197 31.911 -17.210 941 HB2 HIS 120 2HB HIS 120 0.123 33.232 -19.723 942 HB3 HIS 120 3HB HIS 120 0.904 31.655 -19.785 943 HD1 HIS 120 HD1 HIS 120 -1.067 30.144 -20.255 944 HD2 HIS 120 HD2 HIS 120 -1.790 32.731 -17.097 945 HE1 HIS 120 HE1 HIS 120 -3.258 29.402 -19.261 946 HE2 HIS 120 HE2 HIS 120 -3.771 31.136 -17.518 947 H HIS 121 H HIS 121 2.240 34.913 -18.524 948 HA HIS 121 HA HIS 121 5.045 34.200 -18.206 949 HB2 HIS 121 2HB HIS 121 3.930 35.270 -20.834 950 HB3 HIS 121 3HB HIS 121 5.634 35.362 -20.413 951 HD1 HIS 121 HD1 HIS 121 3.221 33.167 -22.023 952 HD2 HIS 121 HD2 HIS 121 6.853 32.721 -20.058 953 HE1 HIS 121 HE1 HIS 121 4.023 30.875 -22.627 954 HE2 HIS 121 HE2 HIS 121 6.311 30.697 -21.586 955 H HIS 122 H HIS 122 2.825 36.696 -19.404 956 HA HIS 122 HA HIS 122 3.210 38.335 -17.046 957 HB2 HIS 122 2HB HIS 122 4.987 39.250 -18.466 958 HB3 HIS 122 3HB HIS 122 3.881 39.405 -19.829 959 HD1 HIS 122 HD1 HIS 122 2.717 41.630 -20.037 960 HD2 HIS 122 HD2 HIS 122 4.290 41.078 -16.230 961 HE1 HIS 122 HE1 HIS 122 2.369 43.806 -18.852 962 HE2 HIS 122 HE2 HIS 122 3.191 43.424 -16.509 Start of MODEL 5 1 H1 MET 1 1H MET 1 21.536 -28.297 -0.075 2 H2 MET 1 2H MET 1 21.803 -29.738 0.771 3 H3 MET 1 3H MET 1 21.842 -28.257 1.585 4 HA MET 1 HA MET 1 19.468 -29.356 0.225 5 HB2 MET 1 2HB MET 1 20.162 -30.716 2.221 6 HB3 MET 1 3HB MET 1 20.072 -29.271 3.222 7 HG2 MET 1 2HG MET 1 18.080 -30.725 3.473 8 HG3 MET 1 3HG MET 1 17.652 -29.129 2.836 9 HE1 MET 1 3HE MET 1 15.307 -29.901 1.951 10 HE2 MET 1 1HE MET 1 15.553 -31.523 2.592 11 HE3 MET 1 2HE MET 1 15.043 -31.307 0.917 12 H ILE 2 H ILE 2 17.551 -28.136 0.622 13 HA ILE 2 HA ILE 2 17.977 -25.312 1.431 14 HB ILE 2 HB ILE 2 16.410 -26.370 -0.992 15 HG12 ILE 2 2HG1 ILE 2 18.902 -26.302 -1.334 16 HG13 ILE 2 3HG1 ILE 2 18.034 -25.226 -2.416 17 HG21 ILE 2 1HG2 ILE 2 16.702 -23.490 -0.071 18 HG22 ILE 2 2HG2 ILE 2 15.226 -24.457 -0.043 19 HG23 ILE 2 3HG2 ILE 2 15.960 -24.020 -1.584 20 HD11 ILE 2 3HD1 ILE 2 20.086 -24.212 -1.602 21 HD12 ILE 2 1HD1 ILE 2 19.537 -24.389 0.065 22 HD13 ILE 2 2HD1 ILE 2 18.681 -23.309 -1.040 23 H GLU 3 H GLU 3 16.114 -24.277 2.384 24 HA GLU 3 HA GLU 3 13.631 -25.893 2.654 25 HB2 GLU 3 2HB GLU 3 13.143 -24.896 4.792 26 HB3 GLU 3 3HB GLU 3 14.807 -25.464 4.889 27 HG2 GLU 3 2HG GLU 3 15.638 -23.187 4.580 28 HG3 GLU 3 3HG GLU 3 13.999 -22.584 4.351 29 HA PRO 4 HA PRO 4 11.794 -22.414 0.398 30 HB2 PRO 4 2HB PRO 4 9.141 -23.083 1.580 31 HB3 PRO 4 3HB PRO 4 9.683 -23.207 -0.108 32 HG2 PRO 4 2HG PRO 4 9.212 -25.395 1.408 33 HG3 PRO 4 3HG PRO 4 10.459 -25.376 0.140 34 HD2 PRO 4 2HD PRO 4 10.792 -25.077 3.128 35 HD3 PRO 4 3HD PRO 4 11.763 -26.014 1.966 36 H ILE 5 H ILE 5 11.912 -20.314 1.017 37 HA ILE 5 HA ILE 5 10.779 -19.437 3.627 38 HB ILE 5 HB ILE 5 12.641 -17.766 3.843 39 HG12 ILE 5 2HG1 ILE 5 13.926 -19.301 1.538 40 HG13 ILE 5 3HG1 ILE 5 13.295 -17.666 1.440 41 HG21 ILE 5 1HG2 ILE 5 12.778 -19.874 5.094 42 HG22 ILE 5 2HG2 ILE 5 14.389 -19.327 4.623 43 HG23 ILE 5 3HG2 ILE 5 13.610 -20.643 3.740 44 HD11 ILE 5 3HD1 ILE 5 15.709 -17.684 1.560 45 HD12 ILE 5 1HD1 ILE 5 15.654 -18.546 3.095 46 HD13 ILE 5 2HD1 ILE 5 15.027 -16.907 2.986 47 H LYS 6 H LYS 6 10.616 -16.929 3.617 48 HA LYS 6 HA LYS 6 10.382 -15.529 1.153 49 HB2 LYS 6 2HB LYS 6 7.998 -15.086 1.049 50 HB3 LYS 6 3HB LYS 6 8.252 -16.816 0.961 51 HG2 LYS 6 2HG LYS 6 7.457 -15.426 3.540 52 HG3 LYS 6 3HG LYS 6 6.272 -15.983 2.361 53 HD2 LYS 6 2HD LYS 6 8.303 -17.743 3.794 54 HD3 LYS 6 3HD LYS 6 6.592 -17.623 4.196 55 HE2 LYS 6 2HE LYS 6 6.020 -18.520 1.945 56 HE3 LYS 6 3HE LYS 6 7.740 -18.656 1.579 57 HZ1 LYS 6 3HZ LYS 6 7.985 -20.256 3.334 58 HZ2 LYS 6 1HZ LYS 6 6.757 -20.767 2.298 59 HZ3 LYS 6 2HZ LYS 6 6.381 -20.086 3.794 60 H ARG 7 H ARG 7 10.138 -13.314 1.431 61 HA ARG 7 HA ARG 7 9.778 -12.271 4.185 62 HB2 ARG 7 2HB ARG 7 11.069 -10.989 1.734 63 HB3 ARG 7 3HB ARG 7 10.720 -10.114 3.217 64 HG2 ARG 7 2HG ARG 7 12.650 -12.413 2.901 65 HG3 ARG 7 3HG ARG 7 13.069 -10.715 3.099 66 HD2 ARG 7 2HD ARG 7 11.661 -12.445 5.162 67 HD3 ARG 7 3HD ARG 7 13.358 -11.970 5.189 68 HE ARG 7 HE ARG 7 11.254 -9.907 5.244 69 HH11 ARG 7 1HH1 ARG 7 13.952 -11.481 6.855 70 HH12 ARG 7 2HH1 ARG 7 14.055 -10.281 8.102 71 HH21 ARG 7 1HH2 ARG 7 11.367 -8.381 6.932 72 HH22 ARG 7 2HH2 ARG 7 12.602 -8.538 8.145 73 H THR 8 H THR 8 8.296 -10.509 4.435 74 HA THR 8 HA THR 8 6.362 -10.079 2.240 75 HB THR 8 HB THR 8 5.633 -10.784 5.129 76 HG1 THR 8 HG1 THR 8 5.750 -12.231 2.735 77 HG21 THR 8 3HG2 THR 8 3.812 -10.151 2.768 78 HG22 THR 8 1HG2 THR 8 4.049 -9.123 4.180 79 HG23 THR 8 2HG2 THR 8 3.283 -10.704 4.358 80 H GLN 9 H GLN 9 6.679 -7.953 1.832 81 HA GLN 9 HA GLN 9 6.750 -6.002 4.053 82 HB2 GLN 9 2HB GLN 9 8.585 -5.977 2.269 83 HB3 GLN 9 3HB GLN 9 7.353 -5.528 1.094 84 HG2 GLN 9 2HG GLN 9 8.499 -3.540 1.776 85 HG3 GLN 9 3HG GLN 9 6.878 -3.474 2.469 86 HE21 GLN 9 1HE2 GLN 9 10.274 -3.902 3.144 87 HE22 GLN 9 2HE2 GLN 9 10.176 -3.680 4.851 88 H VAL 10 H VAL 10 4.908 -4.896 4.428 89 HA VAL 10 HA VAL 10 2.733 -4.943 2.425 90 HB VAL 10 HB VAL 10 1.183 -4.463 4.301 91 HG11 VAL 10 1HG1 VAL 10 1.307 -6.672 5.431 92 HG12 VAL 10 2HG1 VAL 10 2.946 -6.896 4.810 93 HG13 VAL 10 3HG1 VAL 10 1.582 -6.804 3.695 94 HG21 VAL 10 3HG2 VAL 10 1.938 -4.577 6.671 95 HG22 VAL 10 1HG2 VAL 10 2.676 -3.221 5.817 96 HG23 VAL 10 2HG2 VAL 10 3.617 -4.680 6.129 97 H VAL 11 H VAL 11 1.945 -3.003 1.596 98 HA VAL 11 HA VAL 11 3.234 -0.492 2.473 99 HB VAL 11 HB VAL 11 1.237 -0.845 0.170 100 HG11 VAL 11 1HG1 VAL 11 1.402 1.475 1.009 101 HG12 VAL 11 2HG1 VAL 11 2.105 1.345 -0.602 102 HG13 VAL 11 3HG1 VAL 11 3.157 1.440 0.811 103 HG21 VAL 11 3HG2 VAL 11 4.266 -0.810 0.045 104 HG22 VAL 11 1HG2 VAL 11 3.171 -0.833 -1.342 105 HG23 VAL 11 2HG2 VAL 11 3.230 -2.208 -0.239 106 H THR 12 H THR 12 2.268 0.319 4.229 107 HA THR 12 HA THR 12 -0.641 0.021 4.591 108 HB THR 12 HB THR 12 1.501 0.741 6.650 109 HG1 THR 12 HG1 THR 12 0.646 -1.678 5.580 110 HG21 THR 12 3HG2 THR 12 -1.378 -0.190 6.996 111 HG22 THR 12 1HG2 THR 12 -0.782 1.434 7.322 112 HG23 THR 12 2HG2 THR 12 -0.221 0.077 8.302 113 H GLN 13 H GLN 13 -1.539 1.708 3.554 114 HA GLN 13 HA GLN 13 -0.570 4.470 4.032 115 HB2 GLN 13 2HB GLN 13 -2.392 3.307 1.887 116 HB3 GLN 13 3HB GLN 13 -2.183 5.039 2.124 117 HG2 GLN 13 2HG GLN 13 0.259 4.771 1.697 118 HG3 GLN 13 3HG GLN 13 -0.012 3.063 1.370 119 HE21 GLN 13 1HE2 GLN 13 -2.301 5.527 0.331 120 HE22 GLN 13 2HE2 GLN 13 -1.941 5.416 -1.347 121 H THR 14 H THR 14 -1.599 5.628 5.532 122 HA THR 14 HA THR 14 -4.260 4.815 6.476 123 HB THR 14 HB THR 14 -2.404 7.015 7.515 124 HG1 THR 14 HG1 THR 14 -2.765 4.579 8.866 125 HG21 THR 14 3HG2 THR 14 -4.789 5.658 8.839 126 HG22 THR 14 1HG2 THR 14 -4.777 7.301 8.198 127 HG23 THR 14 2HG2 THR 14 -3.749 6.882 9.569 128 H ILE 15 H ILE 15 -5.733 5.520 5.020 129 HA ILE 15 HA ILE 15 -5.708 8.203 3.916 130 HB ILE 15 HB ILE 15 -7.626 5.857 3.566 131 HG12 ILE 15 2HG1 ILE 15 -7.013 6.137 1.144 132 HG13 ILE 15 3HG1 ILE 15 -5.941 7.461 1.577 133 HG21 ILE 15 1HG2 ILE 15 -8.084 8.680 2.492 134 HG22 ILE 15 2HG2 ILE 15 -9.078 7.844 3.687 135 HG23 ILE 15 3HG2 ILE 15 -9.012 7.250 2.030 136 HD11 ILE 15 3HD1 ILE 15 -4.497 5.937 2.766 137 HD12 ILE 15 1HD1 ILE 15 -4.761 5.381 1.113 138 HD13 ILE 15 2HD1 ILE 15 -5.605 4.594 2.448 139 H HIS 16 H HIS 16 -6.653 9.910 4.798 140 HA HIS 16 HA HIS 16 -8.512 9.598 7.092 141 HB2 HIS 16 2HB HIS 16 -6.762 11.936 6.195 142 HB3 HIS 16 3HB HIS 16 -7.933 12.035 7.507 143 HD1 HIS 16 HD1 HIS 16 -6.260 12.461 9.361 144 HD2 HIS 16 HD2 HIS 16 -5.392 9.020 7.198 145 HE1 HIS 16 HE1 HIS 16 -4.382 11.334 10.596 146 HE2 HIS 16 HE2 HIS 16 -3.806 9.339 9.208 147 H TYR 17 H TYR 17 -10.591 10.381 6.866 148 HA TYR 17 HA TYR 17 -11.288 11.806 4.362 149 HB2 TYR 17 2HB TYR 17 -13.075 10.177 6.228 150 HB3 TYR 17 3HB TYR 17 -13.627 11.066 4.813 151 HD1 TYR 17 HD1 TYR 17 -12.488 10.437 2.547 152 HD2 TYR 17 HD2 TYR 17 -12.484 7.893 5.949 153 HE1 TYR 17 HE1 TYR 17 -12.003 8.518 1.107 154 HE2 TYR 17 HE2 TYR 17 -12.020 5.984 4.498 155 HH TYR 17 HH TYR 17 -11.276 6.351 1.145 156 H ARG 18 H ARG 18 -11.691 13.848 4.589 157 HA ARG 18 HA ARG 18 -12.680 14.997 7.124 158 HB2 ARG 18 2HB ARG 18 -10.106 14.898 7.082 159 HB3 ARG 18 3HB ARG 18 -10.168 15.964 5.694 160 HG2 ARG 18 2HG ARG 18 -9.688 17.363 7.531 161 HG3 ARG 18 3HG ARG 18 -11.396 17.634 7.173 162 HD2 ARG 18 2HD ARG 18 -11.176 17.484 9.547 163 HD3 ARG 18 3HD ARG 18 -11.942 15.989 9.016 164 HE ARG 18 HE ARG 18 -9.596 14.997 9.168 165 HH11 ARG 18 1HH1 ARG 18 -10.673 17.612 11.272 166 HH12 ARG 18 2HH1 ARG 18 -9.581 17.189 12.554 167 HH21 ARG 18 1HH2 ARG 18 -8.166 14.466 10.844 168 HH22 ARG 18 2HH2 ARG 18 -8.154 15.399 12.313 169 H TYR 19 H TYR 19 -14.224 16.467 6.598 170 HA TYR 19 HA TYR 19 -14.747 17.494 4.002 171 HB2 TYR 19 2HB TYR 19 -15.607 18.488 6.750 172 HB3 TYR 19 3HB TYR 19 -16.276 19.077 5.232 173 HD1 TYR 19 HD2 TYR 19 -16.185 16.221 7.588 174 HD2 TYR 19 HD1 TYR 19 -17.889 17.731 3.978 175 HE1 TYR 19 HE2 TYR 19 -17.947 14.510 7.701 176 HE2 TYR 19 HE1 TYR 19 -19.646 16.029 4.099 177 HH TYR 19 HH TYR 19 -20.222 14.142 6.865 178 H GLU 20 H GLU 20 -14.669 19.799 3.412 179 HA GLU 20 HA GLU 20 -12.119 20.993 3.639 180 HB2 GLU 20 2HB GLU 20 -13.111 22.918 2.417 181 HB3 GLU 20 3HB GLU 20 -13.524 21.373 1.678 182 HG2 GLU 20 2HG GLU 20 -15.782 21.486 2.365 183 HG3 GLU 20 3HG GLU 20 -15.438 22.666 3.627 184 H ASP 21 H ASP 21 -14.941 21.288 5.587 185 HA ASP 21 HA ASP 21 -14.440 23.865 6.779 186 HB2 ASP 21 2HB ASP 21 -16.298 21.596 7.636 187 HB3 ASP 21 3HB ASP 21 -16.363 23.257 8.225 188 H GLY 22 H GLY 22 -12.960 20.846 7.199 189 HA2 GLY 22 2HA GLY 22 -11.314 20.269 8.803 190 HA3 GLY 22 3HA GLY 22 -11.977 21.468 9.907 191 H ALA 23 H ALA 23 -14.606 19.951 8.749 192 HA ALA 23 HA ALA 23 -15.149 18.463 11.103 193 HB1 ALA 23 3HB ALA 23 -16.936 19.561 9.813 194 HB2 ALA 23 1HB ALA 23 -17.250 17.833 9.969 195 HB3 ALA 23 2HB ALA 23 -16.633 18.488 8.449 196 H VAL 24 H VAL 24 -15.213 16.226 11.399 197 HA VAL 24 HA VAL 24 -13.259 14.755 9.787 198 HB VAL 24 HB VAL 24 -14.563 14.015 12.455 199 HG11 VAL 24 1HG1 VAL 24 -12.120 12.870 11.073 200 HG12 VAL 24 2HG1 VAL 24 -13.670 12.056 11.296 201 HG13 VAL 24 3HG1 VAL 24 -12.669 12.443 12.694 202 HG21 VAL 24 3HG2 VAL 24 -12.469 14.797 13.525 203 HG22 VAL 24 1HG2 VAL 24 -13.288 16.109 12.675 204 HG23 VAL 24 2HG2 VAL 24 -11.866 15.349 11.960 205 H ALA 25 H ALA 25 -14.093 13.651 8.076 206 HA ALA 25 HA ALA 25 -16.802 12.603 8.069 207 HB1 ALA 25 3HB ALA 25 -16.266 11.799 5.811 208 HB2 ALA 25 1HB ALA 25 -14.578 12.267 6.037 209 HB3 ALA 25 2HB ALA 25 -15.841 13.496 6.020 210 H HIS 26 H HIS 26 -13.526 11.127 8.011 211 HA HIS 26 HA HIS 26 -14.033 9.118 9.904 212 HB2 HIS 26 2HB HIS 26 -15.440 8.127 8.036 213 HB3 HIS 26 3HB HIS 26 -13.994 8.017 7.044 214 HD1 HIS 26 HD1 HIS 26 -15.811 6.327 9.801 215 HD2 HIS 26 HD2 HIS 26 -12.157 5.955 7.851 216 HE1 HIS 26 HE1 HIS 26 -14.924 4.077 10.452 217 HE2 HIS 26 HE2 HIS 26 -12.841 3.791 9.090 218 H ASP 27 H ASP 27 -11.977 9.648 10.722 219 HA ASP 27 HA ASP 27 -9.818 10.257 8.789 220 HB2 ASP 27 2HB ASP 27 -10.827 11.918 10.489 221 HB3 ASP 27 3HB ASP 27 -10.005 11.015 11.743 222 H ASP 28 H ASP 28 -10.138 7.434 9.315 223 HA ASP 28 HA ASP 28 -7.596 6.752 10.531 224 HB2 ASP 28 2HB ASP 28 -8.410 5.311 12.276 225 HB3 ASP 28 3HB ASP 28 -9.290 6.824 12.456 226 H HIS 29 H HIS 29 -9.145 6.485 7.917 227 HA HIS 29 HA HIS 29 -9.748 3.672 7.613 228 HB2 HIS 29 2HB HIS 29 -10.990 5.476 6.416 229 HB3 HIS 29 3HB HIS 29 -9.540 5.866 5.503 230 HD1 HIS 29 HD1 HIS 29 -12.539 3.929 5.292 231 HD2 HIS 29 HD2 HIS 29 -8.681 3.515 3.818 232 HE1 HIS 29 HE1 HIS 29 -12.715 2.341 3.373 233 HE2 HIS 29 HE2 HIS 29 -10.355 1.929 2.663 234 H VAL 30 H VAL 30 -7.839 2.499 7.942 235 HA VAL 30 HA VAL 30 -5.429 3.144 6.366 236 HB VAL 30 HB VAL 30 -5.813 1.017 8.543 237 HG11 VAL 30 1HG1 VAL 30 -3.346 1.046 8.667 238 HG12 VAL 30 2HG1 VAL 30 -3.281 2.196 7.329 239 HG13 VAL 30 3HG1 VAL 30 -3.902 0.564 7.063 240 HG21 VAL 30 3HG2 VAL 30 -6.233 3.301 9.425 241 HG22 VAL 30 1HG2 VAL 30 -4.661 3.823 8.812 242 HG23 VAL 30 2HG2 VAL 30 -4.749 2.609 10.090 243 H VAL 31 H VAL 31 -4.534 1.718 4.884 244 HA VAL 31 HA VAL 31 -5.893 -0.822 4.227 245 HB VAL 31 HB VAL 31 -6.661 0.915 2.614 246 HG11 VAL 31 1HG1 VAL 31 -5.127 1.968 0.999 247 HG12 VAL 31 2HG1 VAL 31 -3.745 1.245 1.825 248 HG13 VAL 31 3HG1 VAL 31 -4.743 2.441 2.655 249 HG21 VAL 31 3HG2 VAL 31 -6.141 -0.283 0.517 250 HG22 VAL 31 1HG2 VAL 31 -6.503 -1.405 1.831 251 HG23 VAL 31 2HG2 VAL 31 -4.831 -1.145 1.327 252 H SER 32 H SER 32 -4.431 -2.419 3.383 253 HA SER 32 HA SER 32 -1.563 -1.804 3.268 254 HB2 SER 32 2HB SER 32 -1.042 -3.764 4.756 255 HB3 SER 32 3HB SER 32 -1.885 -2.468 5.608 256 HG SER 32 HG SER 32 -3.474 -3.784 5.987 257 H LEU 33 H LEU 33 -0.679 -2.781 1.514 258 HA LEU 33 HA LEU 33 -2.043 -5.148 0.338 259 HB2 LEU 33 2HB LEU 33 -0.158 -3.109 -0.887 260 HB3 LEU 33 3HB LEU 33 -0.514 -4.641 -1.671 261 HG LEU 33 HG LEU 33 -2.469 -2.379 -1.124 262 HD11 LEU 33 1HD1 LEU 33 -0.970 -2.093 -3.050 263 HD12 LEU 33 2HD1 LEU 33 -2.643 -2.301 -3.551 264 HD13 LEU 33 3HD1 LEU 33 -1.508 -3.640 -3.711 265 HD21 LEU 33 3HD2 LEU 33 -4.213 -3.748 -2.185 266 HD22 LEU 33 1HD2 LEU 33 -3.622 -4.528 -0.720 267 HD23 LEU 33 2HD2 LEU 33 -3.100 -5.115 -2.301 268 H ILE 34 H ILE 34 -1.097 -7.037 0.458 269 HA ILE 34 HA ILE 34 1.421 -7.365 1.848 270 HB ILE 34 HB ILE 34 -0.690 -9.343 0.857 271 HG12 ILE 34 2HG1 ILE 34 -0.907 -9.790 3.402 272 HG13 ILE 34 3HG1 ILE 34 0.061 -8.348 3.651 273 HG21 ILE 34 1HG2 ILE 34 1.482 -10.456 0.685 274 HG22 ILE 34 2HG2 ILE 34 0.552 -11.141 2.015 275 HG23 ILE 34 3HG2 ILE 34 1.868 -10.017 2.351 276 HD11 ILE 34 3HD1 ILE 34 -2.317 -7.910 3.944 277 HD12 ILE 34 1HD1 ILE 34 -2.641 -8.455 2.299 278 HD13 ILE 34 2HD1 ILE 34 -1.683 -6.999 2.575 279 H PHE 35 H PHE 35 3.245 -7.212 0.658 280 HA PHE 35 HA PHE 35 3.430 -8.518 -1.997 281 HB2 PHE 35 2HB PHE 35 5.275 -6.472 -0.669 282 HB3 PHE 35 3HB PHE 35 5.610 -7.264 -2.206 283 HD1 PHE 35 HD1 PHE 35 3.218 -4.960 -0.490 284 HD2 PHE 35 HD2 PHE 35 4.693 -6.423 -4.227 285 HE1 PHE 35 HE1 PHE 35 2.011 -3.175 -1.678 286 HE2 PHE 35 HE2 PHE 35 3.489 -4.633 -5.396 287 HZ PHE 35 HZ PHE 35 2.149 -3.006 -4.127 288 H THR 36 H THR 36 4.032 -10.584 -1.757 289 HA THR 36 HA THR 36 6.033 -11.313 0.316 290 HB THR 36 HB THR 36 4.031 -13.161 -1.083 291 HG1 THR 36 HG1 THR 36 2.948 -11.709 0.270 292 HG21 THR 36 3HG2 THR 36 5.793 -13.612 1.367 293 HG22 THR 36 1HG2 THR 36 6.046 -14.331 -0.223 294 HG23 THR 36 2HG2 THR 36 4.615 -14.755 0.716 295 H GLN 37 H GLN 37 7.997 -11.192 -0.707 296 HA GLN 37 HA GLN 37 8.391 -12.528 -3.303 297 HB2 GLN 37 2HB GLN 37 10.396 -11.044 -1.544 298 HB3 GLN 37 3HB GLN 37 10.753 -11.756 -3.117 299 HG2 GLN 37 2HG GLN 37 8.935 -10.219 -4.060 300 HG3 GLN 37 3HG GLN 37 8.980 -9.391 -2.507 301 HE21 GLN 37 1HE2 GLN 37 9.621 -8.315 -5.108 302 HE22 GLN 37 2HE2 GLN 37 11.261 -7.789 -5.043 303 H SER 38 H SER 38 8.502 -14.671 -3.171 304 HA SER 38 HA SER 38 9.437 -16.089 -0.842 305 HB2 SER 38 2HB SER 38 7.644 -17.014 -2.264 306 HB3 SER 38 3HB SER 38 8.754 -17.121 -3.629 307 HG SER 38 HG SER 38 8.619 -18.664 -1.291 308 H GLY 39 H GLY 39 11.354 -17.104 -0.586 309 HA2 GLY 39 2HA GLY 39 13.411 -17.055 -2.720 310 HA3 GLY 39 3HA GLY 39 13.784 -16.552 -1.070 311 H LYS 40 H LYS 40 15.398 -18.298 -1.376 312 HA LYS 40 HA LYS 40 14.339 -20.758 -0.186 313 HB2 LYS 40 2HB LYS 40 15.661 -22.177 -1.730 314 HB3 LYS 40 3HB LYS 40 14.388 -21.299 -2.543 315 HG2 LYS 40 2HG LYS 40 16.070 -21.064 -4.078 316 HG3 LYS 40 3HG LYS 40 16.361 -19.610 -3.124 317 HD2 LYS 40 2HD LYS 40 18.227 -20.633 -1.997 318 HD3 LYS 40 3HD LYS 40 17.817 -22.233 -2.618 319 HE2 LYS 40 2HE LYS 40 18.358 -21.490 -4.901 320 HE3 LYS 40 3HE LYS 40 18.743 -19.877 -4.298 321 HZ1 LYS 40 3HZ LYS 40 20.557 -20.836 -3.018 322 HZ2 LYS 40 1HZ LYS 40 20.719 -21.195 -4.660 323 HZ3 LYS 40 2HZ LYS 40 20.176 -22.383 -3.588 324 H ARG 41 H ARG 41 15.797 -21.742 1.278 325 HA ARG 41 HA ARG 41 18.048 -19.955 2.016 326 HB2 ARG 41 2HB ARG 41 16.196 -20.105 3.686 327 HB3 ARG 41 3HB ARG 41 16.482 -21.828 3.837 328 HG2 ARG 41 2HG ARG 41 18.780 -21.351 4.673 329 HG3 ARG 41 3HG ARG 41 18.442 -19.624 4.553 330 HD2 ARG 41 2HD ARG 41 17.020 -21.608 6.346 331 HD3 ARG 41 3HD ARG 41 18.205 -20.409 6.858 332 HE ARG 41 HE ARG 41 16.238 -18.950 5.626 333 HH11 ARG 41 2HH1 ARG 41 16.244 -21.200 8.343 334 HH12 ARG 41 1HH1 ARG 41 14.903 -20.412 9.127 335 HH21 ARG 41 2HH2 ARG 41 14.504 -17.962 6.657 336 HH22 ARG 41 1HH2 ARG 41 13.922 -18.587 8.176 337 H ASP 42 H ASP 42 19.975 -20.742 1.699 338 HA ASP 42 HA ASP 42 20.747 -23.413 1.234 339 HB2 ASP 42 2HB ASP 42 21.936 -21.374 0.464 340 HB3 ASP 42 3HB ASP 42 22.397 -21.024 2.122 341 H LEU 43 H LEU 43 20.755 -24.996 2.815 342 HA LEU 43 HA LEU 43 20.573 -24.227 5.614 343 HB2 LEU 43 2HB LEU 43 20.453 -26.988 4.338 344 HB3 LEU 43 3HB LEU 43 20.158 -26.646 6.035 345 HG LEU 43 HG LEU 43 18.437 -25.890 3.654 346 HD11 LEU 43 1HD1 LEU 43 17.777 -27.399 6.203 347 HD12 LEU 43 2HD1 LEU 43 18.056 -28.113 4.614 348 HD13 LEU 43 3HD1 LEU 43 16.666 -27.062 4.870 349 HD21 LEU 43 3HD2 LEU 43 18.531 -23.858 4.965 350 HD22 LEU 43 1HD2 LEU 43 18.181 -24.747 6.451 351 HD23 LEU 43 2HD2 LEU 43 16.958 -24.618 5.185 352 H THR 44 H THR 44 23.168 -25.244 3.551 353 HA THR 44 HA THR 44 24.668 -26.546 5.677 354 HB THR 44 HB THR 44 25.050 -27.447 3.484 355 HG1 THR 44 HG1 THR 44 26.928 -26.921 5.064 356 HG21 THR 44 3HG2 THR 44 24.558 -25.507 2.082 357 HG22 THR 44 1HG2 THR 44 26.126 -26.201 1.657 358 HG23 THR 44 2HG2 THR 44 26.049 -24.721 2.619 359 H ASN 45 H ASN 45 24.784 -23.418 4.014 360 HA ASN 45 HA ASN 45 26.820 -22.348 5.846 361 HB2 ASN 45 2HB ASN 45 26.965 -21.738 3.442 362 HB3 ASN 45 3HB ASN 45 25.342 -21.057 3.481 363 HD21 ASN 45 1HD2 ASN 45 26.150 -19.100 2.721 364 HD22 ASN 45 2HD2 ASN 45 27.020 -18.004 3.729 365 H GLY 46 H GLY 46 23.324 -22.247 5.307 366 HA2 GLY 46 2HA GLY 46 21.641 -21.542 6.766 367 HA3 GLY 46 3HA GLY 46 22.851 -20.888 7.867 368 H LYS 47 H LYS 47 22.142 -20.368 4.456 369 HA LYS 47 HA LYS 47 22.350 -17.440 4.773 370 HB2 LYS 47 2HB LYS 47 24.276 -18.268 3.632 371 HB3 LYS 47 3HB LYS 47 23.358 -19.478 2.749 372 HG2 LYS 47 2HG LYS 47 22.296 -17.625 1.447 373 HG3 LYS 47 3HG LYS 47 23.406 -16.494 2.236 374 HD2 LYS 47 2HD LYS 47 24.322 -17.137 0.062 375 HD3 LYS 47 3HD LYS 47 25.328 -17.828 1.333 376 HE2 LYS 47 2HE LYS 47 24.255 -20.002 1.018 377 HE3 LYS 47 3HE LYS 47 23.201 -19.319 -0.223 378 HZ1 LYS 47 3HZ LYS 47 25.015 -19.002 -1.656 379 HZ2 LYS 47 1HZ LYS 47 25.202 -20.559 -1.036 380 HZ3 LYS 47 2HZ LYS 47 26.158 -19.293 -0.448 381 H GLU 48 H GLU 48 20.803 -16.228 3.639 382 HA GLU 48 HA GLU 48 18.519 -17.732 2.462 383 HB2 GLU 48 2HB GLU 48 18.542 -15.021 3.850 384 HB3 GLU 48 3HB GLU 48 17.138 -15.715 3.029 385 HG2 GLU 48 2HG GLU 48 17.365 -17.725 4.578 386 HG3 GLU 48 3HG GLU 48 18.555 -16.793 5.467 387 H ILE 49 H ILE 49 18.219 -17.567 0.422 388 HA ILE 49 HA ILE 49 19.656 -15.585 -1.224 389 HB ILE 49 HB ILE 49 18.327 -18.224 -2.048 390 HG12 ILE 49 2HG1 ILE 49 20.811 -18.832 -2.631 391 HG13 ILE 49 3HG1 ILE 49 21.250 -17.491 -1.584 392 HG21 ILE 49 1HG2 ILE 49 19.924 -16.277 -3.754 393 HG22 ILE 49 2HG2 ILE 49 18.192 -16.597 -3.872 394 HG23 ILE 49 3HG2 ILE 49 19.349 -17.864 -4.277 395 HD11 ILE 49 3HD1 ILE 49 19.698 -19.942 -0.758 396 HD12 ILE 49 1HD1 ILE 49 20.157 -18.605 0.299 397 HD13 ILE 49 2HD1 ILE 49 21.400 -19.621 -0.432 398 H TRP 50 H TRP 50 18.385 -13.803 -1.448 399 HA TRP 50 HA TRP 50 15.536 -14.088 -2.203 400 HB2 TRP 50 2HB TRP 50 17.026 -11.555 -1.349 401 HB3 TRP 50 3HB TRP 50 15.281 -11.764 -1.514 402 HD1 TRP 50 HD1 TRP 50 17.941 -11.850 1.071 403 HE1 TRP 50 HE1 TRP 50 17.084 -12.927 3.241 404 HE3 TRP 50 HE3 TRP 50 13.582 -13.872 -0.678 405 HZ2 TRP 50 HZ2 TRP 50 14.861 -14.407 4.111 406 HZ3 TRP 50 HZ3 TRP 50 12.149 -15.101 0.885 407 HH2 TRP 50 HH2 TRP 50 12.770 -15.367 3.234 408 H ASP 51 H ASP 51 15.145 -13.930 -4.314 409 HA ASP 51 HA ASP 51 17.117 -13.459 -6.270 410 HB2 ASP 51 2HB ASP 51 15.091 -14.874 -6.627 411 HB3 ASP 51 3HB ASP 51 14.086 -13.433 -6.585 412 H SER 52 H SER 52 17.980 -11.598 -6.796 413 HA SER 52 HA SER 52 17.122 -9.047 -5.959 414 HB2 SER 52 2HB SER 52 19.142 -9.777 -8.120 415 HB3 SER 52 3HB SER 52 19.026 -8.220 -7.293 416 HG SER 52 HG SER 52 19.375 -9.499 -5.301 417 H LYS 53 H LYS 53 16.469 -10.900 -8.823 418 HA LYS 53 HA LYS 53 15.559 -8.701 -10.484 419 HB2 LYS 53 2HB LYS 53 15.269 -11.713 -10.899 420 HB3 LYS 53 3HB LYS 53 15.060 -10.467 -12.128 421 HG2 LYS 53 2HG LYS 53 17.434 -9.899 -12.020 422 HG3 LYS 53 3HG LYS 53 17.674 -11.033 -10.688 423 HD2 LYS 53 2HD LYS 53 17.037 -12.913 -12.215 424 HD3 LYS 53 3HD LYS 53 16.891 -11.756 -13.542 425 HE2 LYS 53 2HE LYS 53 19.298 -11.187 -13.299 426 HE3 LYS 53 3HE LYS 53 19.430 -12.355 -11.981 427 HZ1 LYS 53 3HZ LYS 53 18.748 -12.984 -14.808 428 HZ2 LYS 53 1HZ LYS 53 18.817 -14.117 -13.551 429 HZ3 LYS 53 2HZ LYS 53 20.215 -13.305 -14.038 430 H TRP 54 H TRP 54 14.210 -10.522 -7.970 431 HA TRP 54 HA TRP 54 11.578 -11.005 -8.928 432 HB2 TRP 54 2HB TRP 54 12.815 -12.140 -6.942 433 HB3 TRP 54 3HB TRP 54 12.313 -10.762 -5.974 434 HD1 TRP 54 HD1 TRP 54 9.368 -10.398 -6.244 435 HE1 TRP 54 HE1 TRP 54 7.632 -12.235 -5.805 436 HE3 TRP 54 HE3 TRP 54 12.341 -14.514 -6.932 437 HZ2 TRP 54 HZ2 TRP 54 7.515 -15.051 -5.773 438 HZ3 TRP 54 HZ3 TRP 54 11.332 -16.746 -6.690 439 HH2 TRP 54 HH2 TRP 54 8.968 -17.012 -6.123 440 H SER 55 H SER 55 9.793 -9.810 -8.825 441 HA SER 55 HA SER 55 9.493 -7.491 -7.120 442 HB2 SER 55 2HB SER 55 8.757 -6.066 -9.103 443 HB3 SER 55 3HB SER 55 10.487 -6.407 -9.053 444 HG SER 55 HG SER 55 9.884 -8.252 -10.496 445 H LEU 56 H LEU 56 7.324 -7.056 -6.716 446 HA LEU 56 HA LEU 56 5.323 -8.757 -8.089 447 HB2 LEU 56 2HB LEU 56 5.716 -9.598 -5.809 448 HB3 LEU 56 3HB LEU 56 5.411 -8.002 -5.136 449 HG LEU 56 HG LEU 56 3.037 -8.133 -5.798 450 HD11 LEU 56 1HD1 LEU 56 2.055 -10.183 -6.758 451 HD12 LEU 56 2HD1 LEU 56 3.671 -10.874 -6.951 452 HD13 LEU 56 3HD1 LEU 56 3.206 -9.434 -7.864 453 HD21 LEU 56 3HD2 LEU 56 2.324 -9.943 -4.287 454 HD22 LEU 56 1HD2 LEU 56 3.678 -9.039 -3.614 455 HD23 LEU 56 2HD2 LEU 56 3.953 -10.629 -4.328 456 H THR 57 H THR 57 3.881 -7.581 -9.146 457 HA THR 57 HA THR 57 3.344 -4.785 -8.386 458 HB THR 57 HB THR 57 2.247 -6.335 -10.787 459 HG1 THR 57 HG1 THR 57 4.294 -4.527 -11.217 460 HG21 THR 57 3HG2 THR 57 1.889 -4.091 -11.754 461 HG22 THR 57 1HG2 THR 57 2.528 -3.340 -10.285 462 HG23 THR 57 2HG2 THR 57 1.017 -4.248 -10.232 463 H GLN 58 H GLN 58 1.790 -4.594 -6.844 464 HA GLN 58 HA GLN 58 -0.541 -6.444 -6.889 465 HB2 GLN 58 2HB GLN 58 0.941 -6.340 -4.774 466 HB3 GLN 58 3HB GLN 58 0.329 -4.708 -4.532 467 HG2 GLN 58 2HG GLN 58 -0.970 -6.149 -3.156 468 HG3 GLN 58 3HG GLN 58 -2.005 -5.693 -4.505 469 HE21 GLN 58 1HE2 GLN 58 0.569 -8.162 -4.472 470 HE22 GLN 58 2HE2 GLN 58 -0.482 -9.498 -4.771 471 H THR 59 H THR 59 -2.514 -5.572 -7.225 472 HA THR 59 HA THR 59 -2.720 -2.994 -8.403 473 HB THR 59 HB THR 59 -5.071 -4.726 -7.510 474 HG1 THR 59 HG1 THR 59 -4.106 -5.083 -10.081 475 HG21 THR 59 3HG2 THR 59 -5.613 -2.483 -8.452 476 HG22 THR 59 1HG2 THR 59 -6.179 -3.787 -9.490 477 HG23 THR 59 2HG2 THR 59 -4.714 -2.898 -9.914 478 H PHE 60 H PHE 60 -2.590 -1.183 -7.170 479 HA PHE 60 HA PHE 60 -3.807 -1.097 -4.487 480 HB2 PHE 60 2HB PHE 60 -1.357 -0.204 -5.251 481 HB3 PHE 60 3HB PHE 60 -2.264 1.272 -5.536 482 HD1 PHE 60 HD1 PHE 60 -4.231 1.244 -3.276 483 HD2 PHE 60 HD2 PHE 60 -0.080 0.204 -3.329 484 HE1 PHE 60 HE1 PHE 60 -4.067 1.724 -0.861 485 HE2 PHE 60 HE2 PHE 60 0.061 0.684 -0.935 486 HZ PHE 60 HZ PHE 60 -1.911 1.432 0.305 487 H GLU 61 H GLU 61 -5.947 -0.851 -4.879 488 HA GLU 61 HA GLU 61 -6.981 1.729 -5.449 489 HB2 GLU 61 2HB GLU 61 -8.334 1.200 -7.433 490 HB3 GLU 61 3HB GLU 61 -6.627 1.007 -7.807 491 HG2 GLU 61 2HG GLU 61 -6.825 -1.429 -7.663 492 HG3 GLU 61 3HG GLU 61 -8.505 -1.294 -7.147 493 H ALA 62 H ALA 62 -9.661 0.945 -6.025 494 HA ALA 62 HA ALA 62 -11.592 0.107 -5.170 495 HB1 ALA 62 3HB ALA 62 -10.583 -2.090 -5.738 496 HB2 ALA 62 1HB ALA 62 -11.594 -2.200 -4.297 497 HB3 ALA 62 2HB ALA 62 -9.835 -2.166 -4.144 498 H LEU 63 H LEU 63 -10.089 2.026 -3.676 499 HA LEU 63 HA LEU 63 -10.126 1.281 -0.873 500 HB2 LEU 63 2HB LEU 63 -8.319 2.669 -2.100 501 HB3 LEU 63 3HB LEU 63 -9.452 3.999 -2.073 502 HG LEU 63 HG LEU 63 -7.657 4.055 -0.281 503 HD11 LEU 63 1HD1 LEU 63 -9.702 5.381 -0.055 504 HD12 LEU 63 2HD1 LEU 63 -9.093 4.837 1.505 505 HD13 LEU 63 3HD1 LEU 63 -10.494 4.036 0.779 506 HD21 LEU 63 3HD2 LEU 63 -9.227 1.781 0.971 507 HD22 LEU 63 1HD2 LEU 63 -7.842 2.623 1.670 508 HD23 LEU 63 2HD2 LEU 63 -7.632 1.632 0.227 509 HA PRO 64 HA PRO 64 -14.480 2.487 -1.047 510 HB2 PRO 64 2HB PRO 64 -15.245 1.567 1.431 511 HB3 PRO 64 3HB PRO 64 -14.943 0.499 0.047 512 HG2 PRO 64 2HG PRO 64 -13.186 1.097 2.384 513 HG3 PRO 64 3HG PRO 64 -13.438 -0.434 1.526 514 HD2 PRO 64 2HD PRO 64 -11.248 1.196 1.129 515 HD3 PRO 64 3HD PRO 64 -11.872 0.052 -0.079 516 H SER 65 H SER 65 -14.071 4.711 -1.149 517 HA SER 65 HA SER 65 -13.961 6.335 1.251 518 HB2 SER 65 2HB SER 65 -14.331 7.144 -1.660 519 HB3 SER 65 3HB SER 65 -13.914 8.222 -0.324 520 HG SER 65 HG SER 65 -12.332 6.496 -1.763 521 HA PRO 66 HA PRO 66 -18.490 6.306 1.694 522 HB2 PRO 66 2HB PRO 66 -18.645 8.463 3.471 523 HB3 PRO 66 3HB PRO 66 -18.262 6.803 3.964 524 HG2 PRO 66 2HG PRO 66 -16.389 9.089 3.425 525 HG3 PRO 66 3HG PRO 66 -16.369 7.902 4.755 526 HD2 PRO 66 2HD PRO 66 -14.724 7.626 2.656 527 HD3 PRO 66 3HD PRO 66 -15.488 6.202 3.402 528 H VAL 67 H VAL 67 -19.706 7.081 0.071 529 HA VAL 67 HA VAL 67 -18.966 9.396 -1.474 530 HB VAL 67 HB VAL 67 -21.507 7.698 -1.660 531 HG11 VAL 67 1HG1 VAL 67 -21.727 9.863 -2.818 532 HG12 VAL 67 2HG1 VAL 67 -21.659 8.540 -3.983 533 HG13 VAL 67 3HG1 VAL 67 -20.238 9.552 -3.713 534 HG21 VAL 67 3HG2 VAL 67 -19.494 6.306 -1.904 535 HG22 VAL 67 1HG2 VAL 67 -18.876 7.385 -3.155 536 HG23 VAL 67 2HG2 VAL 67 -20.340 6.442 -3.446 537 H ILE 68 H ILE 68 -19.351 11.391 -0.685 538 HA ILE 68 HA ILE 68 -21.705 11.864 1.067 539 HB ILE 68 HB ILE 68 -19.111 13.510 0.874 540 HG12 ILE 68 2HG1 ILE 68 -19.966 11.496 3.011 541 HG13 ILE 68 3HG1 ILE 68 -18.670 11.266 1.847 542 HG21 ILE 68 1HG2 ILE 68 -21.405 13.647 2.877 543 HG22 ILE 68 2HG2 ILE 68 -21.076 14.820 1.600 544 HG23 ILE 68 3HG2 ILE 68 -19.930 14.616 2.920 545 HD11 ILE 68 3HD1 ILE 68 -17.830 11.819 4.047 546 HD12 ILE 68 1HD1 ILE 68 -18.716 13.343 4.032 547 HD13 ILE 68 2HD1 ILE 68 -17.405 13.071 2.882 548 H ILE 69 H ILE 69 -23.254 12.890 0.225 549 HA ILE 69 HA ILE 69 -23.278 14.036 -2.386 550 HB ILE 69 HB ILE 69 -25.396 13.795 -0.198 551 HG12 ILE 69 2HG1 ILE 69 -26.358 12.007 -1.592 552 HG13 ILE 69 3HG1 ILE 69 -25.103 12.172 -2.793 553 HG21 ILE 69 1HG2 ILE 69 -25.811 14.692 -3.083 554 HG22 ILE 69 2HG2 ILE 69 -25.981 15.697 -1.642 555 HG23 ILE 69 3HG2 ILE 69 -27.095 14.360 -1.918 556 HD11 ILE 69 3HD1 ILE 69 -24.807 11.150 0.034 557 HD12 ILE 69 1HD1 ILE 69 -23.512 11.276 -1.157 558 HD13 ILE 69 2HD1 ILE 69 -24.862 10.176 -1.436 559 H GLY 70 H GLY 70 -23.489 16.212 -2.941 560 HA2 GLY 70 2HA GLY 70 -23.371 18.503 -2.717 561 HA3 GLY 70 3HA GLY 70 -23.673 18.333 -0.990 562 H TYR 71 H TYR 71 -21.125 16.312 -1.970 563 HA TYR 71 HA TYR 71 -19.026 18.335 -1.594 564 HB2 TYR 71 2HB TYR 71 -19.281 15.790 0.078 565 HB3 TYR 71 3HB TYR 71 -17.816 16.767 0.002 566 HD1 TYR 71 HD1 TYR 71 -21.291 16.631 1.249 567 HD2 TYR 71 HD2 TYR 71 -17.682 18.918 1.177 568 HE1 TYR 71 HE1 TYR 71 -22.145 18.040 3.049 569 HE2 TYR 71 HE2 TYR 71 -18.557 20.335 2.983 570 HH TYR 71 HH TYR 71 -21.378 19.528 4.747 571 H THR 72 H THR 72 -16.849 17.392 -2.021 572 HA THR 72 HA THR 72 -16.736 15.023 -3.740 573 HB THR 72 HB THR 72 -15.875 17.812 -4.684 574 HG1 THR 72 HG1 THR 72 -18.061 16.149 -5.223 575 HG21 THR 72 3HG2 THR 72 -15.567 15.138 -6.103 576 HG22 THR 72 1HG2 THR 72 -14.254 16.096 -5.430 577 HG23 THR 72 2HG2 THR 72 -15.195 16.724 -6.786 578 H ALA 73 H ALA 73 -15.146 13.894 -2.836 579 HA ALA 73 HA ALA 73 -12.985 14.823 -1.283 580 HB1 ALA 73 3HB ALA 73 -13.795 12.532 -1.133 581 HB2 ALA 73 1HB ALA 73 -12.088 12.535 -1.568 582 HB3 ALA 73 2HB ALA 73 -13.314 12.216 -2.799 583 H ASP 74 H ASP 74 -10.755 14.989 -1.809 584 HA ASP 74 HA ASP 74 -9.968 15.910 -4.376 585 HB2 ASP 74 2HB ASP 74 -8.215 14.662 -2.209 586 HB3 ASP 74 3HB ASP 74 -7.604 15.496 -3.632 587 H LYS 75 H LYS 75 -9.902 12.746 -2.866 588 HA LYS 75 HA LYS 75 -9.862 11.409 -5.446 589 HB2 LYS 75 2HB LYS 75 -8.140 9.733 -4.642 590 HB3 LYS 75 3HB LYS 75 -7.507 11.319 -5.030 591 HG2 LYS 75 2HG LYS 75 -8.172 10.708 -2.162 592 HG3 LYS 75 3HG LYS 75 -6.726 9.988 -2.847 593 HD2 LYS 75 2HD LYS 75 -7.326 12.966 -2.696 594 HD3 LYS 75 3HD LYS 75 -6.237 12.078 -1.626 595 HE2 LYS 75 2HE LYS 75 -5.891 12.524 -4.603 596 HE3 LYS 75 3HE LYS 75 -4.928 13.232 -3.311 597 HZ1 LYS 75 3HZ LYS 75 -3.719 11.445 -4.245 598 HZ2 LYS 75 1HZ LYS 75 -5.024 10.380 -4.120 599 HZ3 LYS 75 2HZ LYS 75 -4.249 10.929 -2.728 600 HA PRO 76 HA PRO 76 -12.994 9.348 -2.713 601 HB2 PRO 76 2HB PRO 76 -14.812 8.928 -4.712 602 HB3 PRO 76 3HB PRO 76 -14.693 10.475 -3.849 603 HG2 PRO 76 2HG PRO 76 -13.552 9.721 -6.519 604 HG3 PRO 76 3HG PRO 76 -14.424 11.200 -6.049 605 HD2 PRO 76 2HD PRO 76 -11.716 11.119 -6.222 606 HD3 PRO 76 3HD PRO 76 -12.555 12.140 -5.031 607 H MET 77 H MET 77 -10.913 8.423 -5.218 608 HA MET 77 HA MET 77 -11.135 5.622 -4.353 609 HB2 MET 77 2HB MET 77 -12.264 5.694 -6.540 610 HB3 MET 77 3HB MET 77 -10.895 6.526 -7.260 611 HG2 MET 77 2HG MET 77 -9.501 4.555 -6.969 612 HG3 MET 77 3HG MET 77 -10.815 3.713 -6.136 613 HE1 MET 77 3HE MET 77 -10.607 1.635 -7.805 614 HE2 MET 77 1HE MET 77 -9.282 2.429 -8.654 615 HE3 MET 77 2HE MET 77 -10.652 1.793 -9.563 616 H VAL 78 H VAL 78 -9.377 6.027 -3.030 617 HA VAL 78 HA VAL 78 -6.918 7.186 -3.978 618 HB VAL 78 HB VAL 78 -7.299 5.565 -1.414 619 HG11 VAL 78 1HG1 VAL 78 -4.950 5.967 -2.004 620 HG12 VAL 78 2HG1 VAL 78 -5.392 6.884 -0.567 621 HG13 VAL 78 3HG1 VAL 78 -5.252 7.704 -2.123 622 HG21 VAL 78 3HG2 VAL 78 -7.782 7.674 -0.238 623 HG22 VAL 78 1HG2 VAL 78 -8.997 7.342 -1.475 624 HG23 VAL 78 2HG2 VAL 78 -7.746 8.550 -1.767 625 H GLY 79 H GLY 79 -5.027 6.128 -4.512 626 HA2 GLY 79 2HA GLY 79 -3.787 3.930 -4.151 627 HA3 GLY 79 3HA GLY 79 -5.158 3.191 -4.962 628 HA PRO 80 HA PRO 80 -2.103 5.434 -8.105 629 HB2 PRO 80 2HB PRO 80 0.212 3.625 -7.611 630 HB3 PRO 80 3HB PRO 80 0.150 5.397 -7.629 631 HG2 PRO 80 2HG PRO 80 0.526 3.994 -5.354 632 HG3 PRO 80 3HG PRO 80 -0.309 5.564 -5.392 633 HD2 PRO 80 2HD PRO 80 -1.488 2.800 -5.259 634 HD3 PRO 80 3HD PRO 80 -1.944 4.266 -4.357 635 H ASP 81 H ASP 81 -3.890 2.972 -8.092 636 HA ASP 81 HA ASP 81 -4.673 1.456 -9.510 637 HB2 ASP 81 2HB ASP 81 -2.591 2.619 -11.384 638 HB3 ASP 81 3HB ASP 81 -3.575 1.241 -11.866 639 H GLU 82 H GLU 82 -1.215 1.229 -10.303 640 HA GLU 82 HA GLU 82 -1.096 -1.464 -9.043 641 HB2 GLU 82 2HB GLU 82 0.120 -0.644 -11.731 642 HB3 GLU 82 3HB GLU 82 0.333 -2.205 -10.949 643 HG2 GLU 82 2HG GLU 82 -2.088 -2.656 -11.162 644 HG3 GLU 82 3HG GLU 82 -2.306 -1.083 -11.923 645 H VAL 83 H VAL 83 0.582 -1.671 -7.644 646 HA VAL 83 HA VAL 83 2.859 0.229 -7.785 647 HB VAL 83 HB VAL 83 1.583 -1.059 -5.304 648 HG11 VAL 83 1HG1 VAL 83 4.064 0.715 -5.454 649 HG12 VAL 83 2HG1 VAL 83 4.021 -0.992 -5.004 650 HG13 VAL 83 3HG1 VAL 83 3.251 0.207 -3.968 651 HG21 VAL 83 3HG2 VAL 83 1.789 1.861 -6.149 652 HG22 VAL 83 1HG2 VAL 83 1.072 1.263 -4.649 653 HG23 VAL 83 2HG2 VAL 83 0.332 0.865 -6.197 654 H THR 84 H THR 84 4.571 -0.816 -8.573 655 HA THR 84 HA THR 84 4.978 -3.689 -8.101 656 HB THR 84 HB THR 84 6.668 -1.816 -9.836 657 HG1 THR 84 HG1 THR 84 5.254 -2.065 -11.411 658 HG21 THR 84 3HG2 THR 84 7.301 -3.909 -10.998 659 HG22 THR 84 1HG2 THR 84 6.277 -4.846 -9.897 660 HG23 THR 84 2HG2 THR 84 7.708 -4.014 -9.289 661 H VAL 85 H VAL 85 5.940 -4.031 -6.156 662 HA VAL 85 HA VAL 85 8.218 -2.387 -5.285 663 HB VAL 85 HB VAL 85 6.691 -4.632 -3.867 664 HG11 VAL 85 1HG1 VAL 85 9.013 -2.958 -2.827 665 HG12 VAL 85 2HG1 VAL 85 9.052 -4.688 -3.184 666 HG13 VAL 85 3HG1 VAL 85 8.044 -4.084 -1.873 667 HG21 VAL 85 3HG2 VAL 85 5.904 -2.827 -2.372 668 HG22 VAL 85 1HG2 VAL 85 5.450 -2.500 -4.045 669 HG23 VAL 85 2HG2 VAL 85 6.804 -1.636 -3.315 670 H ASP 86 H ASP 86 10.148 -2.944 -6.048 671 HA ASP 86 HA ASP 86 10.729 -5.672 -6.997 672 HB2 ASP 86 2HB ASP 86 11.251 -3.611 -8.363 673 HB3 ASP 86 3HB ASP 86 12.433 -3.141 -7.148 674 H SER 87 H SER 87 12.889 -6.583 -6.410 675 HA SER 87 HA SER 87 13.082 -6.994 -3.632 676 HB2 SER 87 2HB SER 87 13.674 -8.644 -5.393 677 HB3 SER 87 3HB SER 87 15.107 -7.698 -5.788 678 HG SER 87 HG SER 87 15.085 -9.607 -4.146 679 H LYS 88 H LYS 88 14.809 -4.864 -5.800 680 HA LYS 88 HA LYS 88 17.010 -4.164 -4.170 681 HB2 LYS 88 2HB LYS 88 15.613 -2.622 -6.386 682 HB3 LYS 88 3HB LYS 88 17.187 -2.201 -5.716 683 HG2 LYS 88 2HG LYS 88 18.164 -4.256 -6.566 684 HG3 LYS 88 3HG LYS 88 16.581 -4.838 -7.086 685 HD2 LYS 88 2HD LYS 88 17.713 -4.055 -9.049 686 HD3 LYS 88 3HD LYS 88 16.457 -2.874 -8.685 687 HE2 LYS 88 2HE LYS 88 19.376 -2.546 -7.927 688 HE3 LYS 88 3HE LYS 88 18.661 -1.900 -9.400 689 HZ1 LYS 88 3HZ LYS 88 18.036 -1.121 -6.607 690 HZ2 LYS 88 1HZ LYS 88 17.103 -0.634 -7.932 691 HZ3 LYS 88 2HZ LYS 88 18.720 -0.167 -7.817 692 H ASN 89 H ASN 89 13.665 -3.005 -4.260 693 HA ASN 89 HA ASN 89 14.272 -1.070 -2.082 694 HB2 ASN 89 2HB ASN 89 12.323 0.240 -2.774 695 HB3 ASN 89 3HB ASN 89 13.375 0.005 -4.159 696 HD21 ASN 89 1HD2 ASN 89 10.283 -0.778 -2.757 697 HD22 ASN 89 2HD2 ASN 89 9.587 -1.445 -4.189 698 H PHE 90 H PHE 90 13.269 -4.121 -2.298 699 HA PHE 90 HA PHE 90 10.643 -4.124 -1.191 700 HB2 PHE 90 2HB PHE 90 11.530 -5.979 -2.553 701 HB3 PHE 90 3HB PHE 90 12.677 -6.394 -1.282 702 HD1 PHE 90 HD2 PHE 90 9.047 -6.267 -2.158 703 HD2 PHE 90 HD1 PHE 90 11.961 -7.720 0.615 704 HE1 PHE 90 HE2 PHE 90 7.349 -7.693 -1.104 705 HE2 PHE 90 HE1 PHE 90 10.238 -9.110 1.654 706 HZ PHE 90 HZ PHE 90 7.944 -9.120 0.805 707 H LEU 91 H LEU 91 13.849 -4.304 0.286 708 HA LEU 91 HA LEU 91 12.940 -5.182 2.869 709 HB2 LEU 91 2HB LEU 91 15.543 -3.819 2.086 710 HB3 LEU 91 3HB LEU 91 15.203 -4.478 3.674 711 HG LEU 91 HG LEU 91 16.601 -6.069 2.571 712 HD11 LEU 91 1HD1 LEU 91 13.770 -7.153 2.407 713 HD12 LEU 91 2HD1 LEU 91 14.783 -7.097 3.851 714 HD13 LEU 91 3HD1 LEU 91 15.250 -8.113 2.491 715 HD21 LEU 91 3HD2 LEU 91 14.720 -6.071 0.184 716 HD22 LEU 91 1HD2 LEU 91 16.159 -7.075 0.382 717 HD23 LEU 91 2HD2 LEU 91 16.321 -5.328 0.240 718 H ASP 92 H ASP 92 13.219 -2.117 1.243 719 HA ASP 92 HA ASP 92 12.549 -0.469 3.535 720 HB2 ASP 92 2HB ASP 92 12.454 0.147 0.535 721 HB3 ASP 92 3HB ASP 92 12.223 1.330 1.819 722 H LYS 93 H LYS 93 10.474 0.734 3.643 723 HA LYS 93 HA LYS 93 8.187 -0.508 2.222 724 HB2 LYS 93 2HB LYS 93 6.781 -0.001 4.181 725 HB3 LYS 93 3HB LYS 93 8.118 -1.042 4.646 726 HG2 LYS 93 2HG LYS 93 9.322 0.983 5.533 727 HG3 LYS 93 3HG LYS 93 7.889 1.944 5.166 728 HD2 LYS 93 2HD LYS 93 7.659 1.475 7.464 729 HD3 LYS 93 3HD LYS 93 6.610 0.278 6.709 730 HE2 LYS 93 2HE LYS 93 9.422 -0.208 7.773 731 HE3 LYS 93 3HE LYS 93 7.918 -0.714 8.534 732 HZ1 LYS 93 3HZ LYS 93 7.514 -2.095 6.509 733 HZ2 LYS 93 1HZ LYS 93 8.839 -2.577 7.443 734 HZ3 LYS 93 2HZ LYS 93 9.084 -1.724 6.007 735 H GLN 94 H GLN 94 6.476 0.970 1.696 736 HA GLN 94 HA GLN 94 7.215 3.837 1.635 737 HB2 GLN 94 2HB GLN 94 5.893 4.014 -0.514 738 HB3 GLN 94 3HB GLN 94 7.394 3.124 -0.652 739 HG2 GLN 94 2HG GLN 94 4.707 1.761 -0.371 740 HG3 GLN 94 3HG GLN 94 5.396 2.215 -1.924 741 HE21 GLN 94 1HE2 GLN 94 7.185 1.088 -2.702 742 HE22 GLN 94 2HE2 GLN 94 7.666 -0.444 -2.063 743 H ASN 95 H ASN 95 6.021 2.701 3.761 744 HA ASN 95 HA ASN 95 3.270 2.958 4.107 745 HB2 ASN 95 2HB ASN 95 4.904 2.222 5.875 746 HB3 ASN 95 3HB ASN 95 5.482 3.874 6.031 747 HD21 ASN 95 1HD2 ASN 95 4.140 1.957 7.906 748 HD22 ASN 95 2HD2 ASN 95 2.821 2.840 8.588 749 H ARG 96 H ARG 96 1.911 4.635 3.850 750 HA ARG 96 HA ARG 96 2.917 7.421 3.780 751 HB2 ARG 96 2HB ARG 96 2.836 6.355 1.459 752 HB3 ARG 96 3HB ARG 96 1.097 6.187 1.638 753 HG2 ARG 96 2HG ARG 96 0.835 8.609 1.740 754 HG3 ARG 96 3HG ARG 96 2.583 8.829 1.706 755 HD2 ARG 96 2HD ARG 96 2.650 7.875 -0.584 756 HD3 ARG 96 3HD ARG 96 0.892 7.669 -0.548 757 HE ARG 96 HE ARG 96 1.817 10.365 -0.016 758 HH11 ARG 96 1HH1 ARG 96 0.874 8.150 -2.582 759 HH12 ARG 96 2HH1 ARG 96 0.465 9.424 -3.686 760 HH21 ARG 96 1HH2 ARG 96 1.207 12.007 -1.430 761 HH22 ARG 96 2HH2 ARG 96 0.655 11.616 -3.030 762 H GLU 97 H GLU 97 0.967 8.951 3.650 763 HA GLU 97 HA GLU 97 -1.513 7.978 4.885 764 HB2 GLU 97 2HB GLU 97 0.065 8.706 6.716 765 HB3 GLU 97 3HB GLU 97 0.160 10.302 5.994 766 HG2 GLU 97 2HG GLU 97 -2.463 9.120 6.944 767 HG3 GLU 97 3HG GLU 97 -1.382 9.973 8.029 768 H GLU 98 H GLU 98 -3.109 8.768 3.604 769 HA GLU 98 HA GLU 98 -2.702 11.329 2.152 770 HB2 GLU 98 2HB GLU 98 -4.113 8.825 1.096 771 HB3 GLU 98 3HB GLU 98 -4.057 10.388 0.286 772 HG2 GLU 98 2HG GLU 98 -1.546 10.190 0.218 773 HG3 GLU 98 3HG GLU 98 -1.737 8.546 0.841 774 H THR 99 H THR 99 -3.991 12.758 3.138 775 HA THR 99 HA THR 99 -6.648 12.088 4.107 776 HB THR 99 HB THR 99 -5.242 14.817 3.970 777 HG1 THR 99 HG1 THR 99 -4.372 13.027 5.364 778 HG21 THR 99 3HG2 THR 99 -7.732 14.997 4.132 779 HG22 THR 99 1HG2 THR 99 -6.940 15.542 5.611 780 HG23 THR 99 2HG2 THR 99 -7.708 13.953 5.556 781 H VAL 100 H VAL 100 -8.348 12.068 2.693 782 HA VAL 100 HA VAL 100 -8.260 13.723 0.252 783 HB VAL 100 HB VAL 100 -9.904 12.379 -0.680 784 HG11 VAL 100 1HG1 VAL 100 -9.526 10.004 -0.166 785 HG12 VAL 100 2HG1 VAL 100 -8.766 10.441 1.368 786 HG13 VAL 100 3HG1 VAL 100 -8.008 10.902 -0.156 787 HG21 VAL 100 3HG2 VAL 100 -11.711 12.800 0.905 788 HG22 VAL 100 1HG2 VAL 100 -11.018 11.649 2.051 789 HG23 VAL 100 2HG2 VAL 100 -11.650 11.086 0.500 790 H ILE 101 H ILE 101 -9.445 15.612 0.141 791 HA ILE 101 HA ILE 101 -11.051 16.401 2.494 792 HB ILE 101 HB ILE 101 -9.790 18.120 0.315 793 HG12 ILE 101 2HG1 ILE 101 -8.140 17.270 1.946 794 HG13 ILE 101 3HG1 ILE 101 -8.354 19.002 2.153 795 HG21 ILE 101 1HG2 ILE 101 -11.461 19.011 2.692 796 HG22 ILE 101 2HG2 ILE 101 -11.914 19.125 0.990 797 HG23 ILE 101 3HG2 ILE 101 -10.571 20.085 1.611 798 HD11 ILE 101 3HD1 ILE 101 -9.765 18.575 4.132 799 HD12 ILE 101 1HD1 ILE 101 -8.155 17.874 4.297 800 HD13 ILE 101 2HD1 ILE 101 -9.529 16.840 3.912 801 H TYR 102 H TYR 102 -13.160 16.116 2.288 802 HA TYR 102 HA TYR 102 -14.567 16.180 -0.250 803 HB2 TYR 102 2HB TYR 102 -15.532 15.854 2.629 804 HB3 TYR 102 3HB TYR 102 -16.625 15.931 1.250 805 HD1 TYR 102 HD2 TYR 102 -16.781 14.063 -0.349 806 HD2 TYR 102 HD1 TYR 102 -14.134 13.854 3.000 807 HE1 TYR 102 HE2 TYR 102 -16.531 11.638 -0.695 808 HE2 TYR 102 HE1 TYR 102 -13.883 11.442 2.649 809 HH TYR 102 HH TYR 102 -15.259 9.568 1.575 810 H SER 103 H SER 103 -14.881 18.129 -1.148 811 HA SER 103 HA SER 103 -15.283 20.510 0.559 812 HB2 SER 103 2HB SER 103 -14.466 21.780 -1.462 813 HB3 SER 103 3HB SER 103 -13.256 20.677 -0.805 814 HG SER 103 HG SER 103 -13.763 19.206 -2.414 815 H ALA 104 H ALA 104 -17.143 21.601 0.299 816 HA ALA 104 HA ALA 104 -19.465 20.553 -0.730 817 HB1 ALA 104 3HB ALA 104 -20.431 22.821 -0.452 818 HB2 ALA 104 1HB ALA 104 -18.807 23.489 -0.277 819 HB3 ALA 104 2HB ALA 104 -19.435 22.365 0.929 820 H ASN 105 H ASN 105 -19.930 20.050 -2.774 821 HA ASN 105 HA ASN 105 -18.338 20.954 -4.976 822 HB2 ASN 105 2HB ASN 105 -19.727 19.423 -6.339 823 HB3 ASN 105 3HB ASN 105 -19.083 18.646 -4.898 824 HD21 ASN 105 1HD2 ASN 105 -20.737 17.068 -5.381 825 HD22 ASN 105 2HD2 ASN 105 -22.345 17.312 -4.803 826 H THR 106 H THR 106 -19.374 21.599 -7.098 827 HA THR 106 HA THR 106 -20.560 24.144 -6.793 828 HB THR 106 HB THR 106 -19.094 23.458 -8.731 829 HG1 THR 106 HG1 THR 106 -21.604 24.639 -9.430 830 HG21 THR 106 3HG2 THR 106 -20.112 22.431 -10.720 831 HG22 THR 106 1HG2 THR 106 -21.642 22.221 -9.851 832 HG23 THR 106 2HG2 THR 106 -20.210 21.327 -9.348 833 H ILE 107 H ILE 107 -22.025 21.052 -6.934 834 HA ILE 107 HA ILE 107 -24.607 21.680 -7.937 835 HB ILE 107 HB ILE 107 -23.817 19.509 -5.927 836 HG12 ILE 107 2HG1 ILE 107 -24.067 19.262 -8.973 837 HG13 ILE 107 3HG1 ILE 107 -22.536 19.422 -8.118 838 HG21 ILE 107 1HG2 ILE 107 -26.290 19.708 -7.685 839 HG22 ILE 107 2HG2 ILE 107 -26.240 19.918 -5.933 840 HG23 ILE 107 3HG2 ILE 107 -25.881 18.342 -6.642 841 HD11 ILE 107 3HD1 ILE 107 -22.957 17.124 -8.728 842 HD12 ILE 107 1HD1 ILE 107 -24.482 17.138 -7.842 843 HD13 ILE 107 2HD1 ILE 107 -22.953 17.306 -6.974 844 H THR 108 H THR 108 -23.397 21.369 -4.550 845 HA THR 108 HA THR 108 -25.767 22.609 -3.441 846 HB THR 108 HB THR 108 -24.460 20.838 -2.192 847 HG1 THR 108 HG1 THR 108 -24.927 23.373 -0.952 848 HG21 THR 108 3HG2 THR 108 -22.461 23.078 -1.717 849 HG22 THR 108 1HG2 THR 108 -22.160 21.607 -2.645 850 HG23 THR 108 2HG2 THR 108 -22.463 21.510 -0.909 851 H GLN 109 H GLN 109 -22.679 23.682 -4.600 852 HA GLN 109 HA GLN 109 -22.878 26.386 -3.490 853 HB2 GLN 109 2HB GLN 109 -20.895 25.220 -5.502 854 HB3 GLN 109 3HB GLN 109 -20.772 26.798 -4.751 855 HG2 GLN 109 2HG GLN 109 -20.554 24.131 -3.342 856 HG3 GLN 109 3HG GLN 109 -19.220 25.205 -3.752 857 HE21 GLN 109 1HE2 GLN 109 -19.159 27.252 -2.722 858 HE22 GLN 109 2HE2 GLN 109 -19.793 27.456 -1.130 859 H ASN 110 H ASN 110 -22.119 27.992 -5.551 860 HA ASN 110 HA ASN 110 -24.258 27.732 -7.584 861 HB2 ASN 110 2HB ASN 110 -22.752 30.203 -6.617 862 HB3 ASN 110 3HB ASN 110 -23.932 30.193 -7.930 863 HD21 ASN 110 1HD2 ASN 110 -25.833 28.357 -6.699 864 HD22 ASN 110 2HD2 ASN 110 -26.546 29.192 -5.366 865 H LYS 111 H LYS 111 -20.964 29.169 -7.395 866 HA LYS 111 HA LYS 111 -20.193 27.737 -9.851 867 HB2 LYS 111 2HB LYS 111 -20.067 30.766 -9.512 868 HB3 LYS 111 3HB LYS 111 -19.056 29.921 -10.675 869 HG2 LYS 111 2HG LYS 111 -22.087 29.943 -10.663 870 HG3 LYS 111 3HG LYS 111 -21.048 30.891 -11.731 871 HD2 LYS 111 2HD LYS 111 -20.209 28.892 -12.811 872 HD3 LYS 111 3HD LYS 111 -21.011 27.852 -11.628 873 HE2 LYS 111 2HE LYS 111 -22.259 27.833 -13.700 874 HE3 LYS 111 3HE LYS 111 -23.210 28.640 -12.453 875 HZ1 LYS 111 3HZ LYS 111 -23.300 29.776 -14.589 876 HZ2 LYS 111 1HZ LYS 111 -21.624 30.015 -14.557 877 HZ3 LYS 111 2HZ LYS 111 -22.610 30.760 -13.406 878 H LYS 112 H LYS 112 -18.035 27.359 -10.108 879 HA LYS 112 HA LYS 112 -15.899 28.459 -8.626 880 HB2 LYS 112 2HB LYS 112 -15.205 26.327 -7.439 881 HB3 LYS 112 3HB LYS 112 -16.541 27.211 -6.711 882 HG2 LYS 112 2HG LYS 112 -18.137 25.552 -7.530 883 HG3 LYS 112 3HG LYS 112 -16.865 24.739 -8.452 884 HD2 LYS 112 2HD LYS 112 -17.415 23.568 -6.288 885 HD3 LYS 112 3HD LYS 112 -15.724 24.051 -6.424 886 HE2 LYS 112 2HE LYS 112 -16.254 26.087 -5.047 887 HE3 LYS 112 3HE LYS 112 -17.882 25.452 -4.807 888 HZ1 LYS 112 3HZ LYS 112 -15.350 24.145 -3.948 889 HZ2 LYS 112 1HZ LYS 112 -16.895 23.497 -3.756 890 HZ3 LYS 112 2HZ LYS 112 -16.475 24.908 -2.950 891 H ASP 113 H ASP 113 -17.184 25.700 -10.359 892 HA ASP 113 HA ASP 113 -16.519 24.380 -12.017 893 HB2 ASP 113 2HB ASP 113 -14.543 26.625 -12.585 894 HB3 ASP 113 3HB ASP 113 -14.702 25.210 -13.621 895 H GLY 114 H GLY 114 -14.132 23.503 -13.016 896 HA2 GLY 114 2HA GLY 114 -11.992 22.627 -12.006 897 HA3 GLY 114 3HA GLY 114 -12.970 22.153 -10.621 898 H LEU 115 H LEU 115 -15.266 21.335 -12.057 899 HA LEU 115 HA LEU 115 -16.292 19.859 -13.413 900 HB2 LEU 115 2HB LEU 115 -13.566 19.580 -14.697 901 HB3 LEU 115 3HB LEU 115 -14.992 18.750 -15.295 902 HG LEU 115 HG LEU 115 -14.708 21.775 -15.144 903 HD11 LEU 115 1HD1 LEU 115 -14.459 19.930 -17.543 904 HD12 LEU 115 2HD1 LEU 115 -13.143 20.803 -16.751 905 HD13 LEU 115 3HD1 LEU 115 -14.423 21.695 -17.566 906 HD21 LEU 115 3HD2 LEU 115 -17.044 21.056 -14.985 907 HD22 LEU 115 1HD2 LEU 115 -16.864 20.066 -16.437 908 HD23 LEU 115 2HD2 LEU 115 -16.733 21.824 -16.538 909 H GLU 116 H GLU 116 -13.936 18.967 -11.251 910 HA GLU 116 HA GLU 116 -13.289 17.101 -10.136 911 HB2 GLU 116 2HB GLU 116 -15.629 15.703 -11.524 912 HB3 GLU 116 3HB GLU 116 -14.695 15.036 -10.190 913 HG2 GLU 116 2HG GLU 116 -15.508 16.763 -8.683 914 HG3 GLU 116 3HG GLU 116 -16.316 17.585 -10.012 915 H HIS 117 H HIS 117 -12.917 14.427 -10.923 916 HA HIS 117 HA HIS 117 -11.799 14.390 -13.610 917 HB2 HIS 117 2HB HIS 117 -9.470 13.876 -12.851 918 HB3 HIS 117 3HB HIS 117 -9.979 15.510 -12.454 919 HD1 HIS 117 HD1 HIS 117 -8.519 12.542 -10.982 920 HD2 HIS 117 HD2 HIS 117 -10.653 15.834 -9.607 921 HE1 HIS 117 HE1 HIS 117 -8.133 12.613 -8.504 922 HE2 HIS 117 HE2 HIS 117 -9.459 14.579 -7.687 923 H HIS 118 H HIS 118 -11.342 12.368 -14.368 924 HA HIS 118 HA HIS 118 -12.734 10.187 -13.017 925 HB2 HIS 118 2HB HIS 118 -12.495 9.039 -15.238 926 HB3 HIS 118 3HB HIS 118 -13.326 10.584 -15.319 927 HD1 HIS 118 HD1 HIS 118 -12.363 12.323 -16.897 928 HD2 HIS 118 HD2 HIS 118 -9.811 9.091 -16.357 929 HE1 HIS 118 HE1 HIS 118 -10.532 12.609 -18.588 930 HE2 HIS 118 HE2 HIS 118 -9.085 10.584 -18.326 931 H HIS 119 H HIS 119 -11.838 8.155 -12.579 932 HA HIS 119 HA HIS 119 -8.983 7.701 -12.964 933 HB2 HIS 119 2HB HIS 119 -10.242 8.124 -10.281 934 HB3 HIS 119 3HB HIS 119 -9.159 6.744 -10.386 935 HD1 HIS 119 HD1 HIS 119 -6.651 7.242 -10.889 936 HD2 HIS 119 HD2 HIS 119 -8.977 10.631 -10.302 937 HE1 HIS 119 HE1 HIS 119 -5.029 9.136 -10.609 938 HE2 HIS 119 HE2 HIS 119 -6.459 11.178 -10.448 939 H HIS 120 H HIS 120 -9.744 6.263 -14.518 940 HA HIS 120 HA HIS 120 -10.274 3.588 -13.381 941 HB2 HIS 120 2HB HIS 120 -11.516 4.625 -15.988 942 HB3 HIS 120 3HB HIS 120 -11.702 3.006 -15.317 943 HD1 HIS 120 HD1 HIS 120 -13.031 2.948 -12.919 944 HD2 HIS 120 HD2 HIS 120 -13.454 6.406 -15.189 945 HE1 HIS 120 HE1 HIS 120 -15.037 4.132 -11.988 946 HE2 HIS 120 HE2 HIS 120 -15.126 6.304 -13.217 947 H HIS 121 H HIS 121 -8.886 2.095 -14.133 948 HA HIS 121 HA HIS 121 -6.549 3.005 -15.551 949 HB2 HIS 121 2HB HIS 121 -6.523 1.406 -13.589 950 HB3 HIS 121 3HB HIS 121 -7.215 0.177 -14.635 951 HD1 HIS 121 HD1 HIS 121 -5.586 -1.212 -15.944 952 HD2 HIS 121 HD2 HIS 121 -3.833 2.235 -14.420 953 HE1 HIS 121 HE1 HIS 121 -3.123 -1.476 -16.332 954 HE2 HIS 121 HE2 HIS 121 -2.093 0.652 -15.485 955 H HIS 122 H HIS 122 -7.000 3.402 -17.665 956 HA HIS 122 HA HIS 122 -8.393 1.463 -19.354 957 HB2 HIS 122 2HB HIS 122 -8.160 3.348 -21.112 958 HB3 HIS 122 3HB HIS 122 -9.191 3.655 -19.725 959 HD1 HIS 122 HD1 HIS 122 -8.292 5.338 -17.927 960 HD2 HIS 122 HD2 HIS 122 -6.034 5.123 -21.406 961 HE1 HIS 122 HE1 HIS 122 -6.791 7.349 -17.877 962 HE2 HIS 122 HE2 HIS 122 -5.328 7.093 -19.893 Start of MODEL 6 1 H1 MET 1 1H MET 1 22.072 -28.215 1.218 2 H2 MET 1 2H MET 1 22.160 -29.650 2.101 3 H3 MET 1 3H MET 1 21.999 -28.171 2.907 4 HA MET 1 HA MET 1 20.009 -29.361 1.072 5 HB2 MET 1 2HB MET 1 20.219 -30.599 3.226 6 HB3 MET 1 3HB MET 1 19.919 -29.104 4.112 7 HG2 MET 1 2HG MET 1 17.910 -30.576 3.935 8 HG3 MET 1 3HG MET 1 17.656 -28.976 3.223 9 HE1 MET 1 3HE MET 1 15.591 -31.291 2.475 10 HE2 MET 1 1HE MET 1 15.505 -31.067 0.724 11 HE3 MET 1 2HE MET 1 15.570 -29.666 1.791 12 H ILE 2 H ILE 2 18.161 -28.136 0.748 13 HA ILE 2 HA ILE 2 18.245 -25.282 1.570 14 HB ILE 2 HB ILE 2 17.563 -26.420 -1.201 15 HG12 ILE 2 2HG1 ILE 2 20.024 -26.424 -0.725 16 HG13 ILE 2 3HG1 ILE 2 19.590 -25.361 -2.052 17 HG21 ILE 2 1HG2 ILE 2 17.381 -24.075 -1.953 18 HG22 ILE 2 2HG2 ILE 2 17.613 -23.519 -0.294 19 HG23 ILE 2 3HG2 ILE 2 16.187 -24.466 -0.716 20 HD11 ILE 2 3HD1 ILE 2 19.814 -23.424 -0.538 21 HD12 ILE 2 1HD1 ILE 2 21.303 -24.357 -0.682 22 HD13 ILE 2 2HD1 ILE 2 20.302 -24.516 0.760 23 H GLU 3 H GLU 3 16.164 -24.326 1.826 24 HA GLU 3 HA GLU 3 13.761 -26.010 1.373 25 HB2 GLU 3 2HB GLU 3 12.717 -25.179 3.385 26 HB3 GLU 3 3HB GLU 3 14.305 -25.772 3.856 27 HG2 GLU 3 2HG GLU 3 15.167 -23.511 3.981 28 HG3 GLU 3 3HG GLU 3 13.660 -22.848 3.357 29 HA PRO 4 HA PRO 4 12.402 -22.140 -0.665 30 HB2 PRO 4 2HB PRO 4 9.726 -22.566 -0.921 31 HB3 PRO 4 3HB PRO 4 10.910 -23.476 -1.878 32 HG2 PRO 4 2HG PRO 4 9.381 -24.330 0.542 33 HG3 PRO 4 3HG PRO 4 9.798 -25.256 -0.917 34 HD2 PRO 4 2HD PRO 4 11.177 -25.416 1.499 35 HD3 PRO 4 3HD PRO 4 11.848 -25.876 -0.080 36 H ILE 5 H ILE 5 12.221 -20.182 0.315 37 HA ILE 5 HA ILE 5 10.375 -19.823 2.608 38 HB ILE 5 HB ILE 5 11.920 -18.143 3.588 39 HG12 ILE 5 2HG1 ILE 5 13.953 -19.071 1.509 40 HG13 ILE 5 3HG1 ILE 5 13.175 -17.498 1.532 41 HG21 ILE 5 1HG2 ILE 5 13.179 -20.884 3.267 42 HG22 ILE 5 2HG2 ILE 5 11.993 -20.400 4.481 43 HG23 ILE 5 3HG2 ILE 5 13.618 -19.703 4.509 44 HD11 ILE 5 3HD1 ILE 5 14.310 -16.962 3.637 45 HD12 ILE 5 1HD1 ILE 5 15.460 -17.389 2.372 46 HD13 ILE 5 2HD1 ILE 5 15.071 -18.549 3.636 47 H LYS 6 H LYS 6 9.805 -17.486 2.937 48 HA LYS 6 HA LYS 6 10.141 -15.629 0.756 49 HB2 LYS 6 2HB LYS 6 7.881 -15.304 0.073 50 HB3 LYS 6 3HB LYS 6 8.147 -17.034 -0.010 51 HG2 LYS 6 2HG LYS 6 6.781 -15.708 2.348 52 HG3 LYS 6 3HG LYS 6 5.896 -16.220 0.919 53 HD2 LYS 6 2HD LYS 6 7.563 -18.085 2.649 54 HD3 LYS 6 3HD LYS 6 5.821 -17.862 2.824 55 HE2 LYS 6 2HE LYS 6 5.533 -18.619 0.460 56 HE3 LYS 6 3HE LYS 6 7.268 -18.922 0.382 57 HZ1 LYS 6 3HZ LYS 6 5.450 -20.258 2.326 58 HZ2 LYS 6 1HZ LYS 6 7.075 -20.619 2.035 59 HZ3 LYS 6 2HZ LYS 6 5.918 -20.931 0.850 60 H ARG 7 H ARG 7 9.656 -13.488 1.355 61 HA ARG 7 HA ARG 7 8.735 -13.056 4.144 62 HB2 ARG 7 2HB ARG 7 10.650 -11.435 2.418 63 HB3 ARG 7 3HB ARG 7 9.882 -10.762 3.855 64 HG2 ARG 7 2HG ARG 7 10.948 -12.493 5.255 65 HG3 ARG 7 3HG ARG 7 11.703 -13.186 3.822 66 HD2 ARG 7 2HD ARG 7 12.870 -10.982 3.453 67 HD3 ARG 7 3HD ARG 7 12.212 -10.440 5.001 68 HE ARG 7 HE ARG 7 13.569 -12.828 5.482 69 HH11 ARG 7 1HH1 ARG 7 14.376 -9.583 4.371 70 HH12 ARG 7 2HH1 ARG 7 15.989 -9.626 5.000 71 HH21 ARG 7 1HH2 ARG 7 15.708 -12.889 6.297 72 HH22 ARG 7 2HH2 ARG 7 16.750 -11.519 6.098 73 H THR 8 H THR 8 7.509 -11.082 4.487 74 HA THR 8 HA THR 8 5.666 -10.488 2.240 75 HB THR 8 HB THR 8 5.102 -10.457 5.257 76 HG1 THR 8 HG1 THR 8 4.948 -12.479 3.345 77 HG21 THR 8 3HG2 THR 8 3.184 -10.304 2.915 78 HG22 THR 8 1HG2 THR 8 3.629 -8.948 3.939 79 HG23 THR 8 2HG2 THR 8 2.741 -10.313 4.620 80 H GLN 9 H GLN 9 6.229 -8.495 1.488 81 HA GLN 9 HA GLN 9 6.745 -6.310 3.423 82 HB2 GLN 9 2HB GLN 9 8.563 -6.645 1.779 83 HB3 GLN 9 3HB GLN 9 7.427 -6.473 0.455 84 HG2 GLN 9 2HG GLN 9 8.748 -4.456 0.708 85 HG3 GLN 9 3HG GLN 9 7.061 -4.114 1.060 86 HE21 GLN 9 1HE2 GLN 9 9.653 -2.767 1.861 87 HE22 GLN 9 2HE2 GLN 9 9.530 -2.592 3.573 88 H VAL 10 H VAL 10 4.692 -5.694 3.929 89 HA VAL 10 HA VAL 10 2.712 -5.289 1.822 90 HB VAL 10 HB VAL 10 1.119 -4.709 3.619 91 HG11 VAL 10 1HG1 VAL 10 0.981 -6.916 4.712 92 HG12 VAL 10 2HG1 VAL 10 2.629 -7.284 4.196 93 HG13 VAL 10 3HG1 VAL 10 1.355 -7.061 2.995 94 HG21 VAL 10 3HG2 VAL 10 1.725 -4.915 6.014 95 HG22 VAL 10 1HG2 VAL 10 2.618 -3.617 5.226 96 HG23 VAL 10 2HG2 VAL 10 3.417 -5.150 5.569 97 H VAL 11 H VAL 11 2.311 -3.350 0.916 98 HA VAL 11 HA VAL 11 3.549 -0.916 2.037 99 HB VAL 11 HB VAL 11 1.966 -1.249 -0.572 100 HG11 VAL 11 1HG1 VAL 11 1.995 1.081 0.227 101 HG12 VAL 11 2HG1 VAL 11 2.979 0.913 -1.224 102 HG13 VAL 11 3HG1 VAL 11 3.755 1.040 0.356 103 HG21 VAL 11 3HG2 VAL 11 4.978 -1.249 -0.147 104 HG22 VAL 11 1HG2 VAL 11 4.160 -1.262 -1.713 105 HG23 VAL 11 2HG2 VAL 11 3.988 -2.630 -0.616 106 H THR 12 H THR 12 2.366 -0.076 3.658 107 HA THR 12 HA THR 12 -0.551 -0.580 3.718 108 HB THR 12 HB THR 12 1.328 0.182 6.010 109 HG1 THR 12 HG1 THR 12 0.424 -2.327 5.022 110 HG21 THR 12 3HG2 THR 12 -1.487 -0.958 6.047 111 HG22 THR 12 1HG2 THR 12 -1.044 0.697 6.479 112 HG23 THR 12 2HG2 THR 12 -0.468 -0.655 7.457 113 H GLN 13 H GLN 13 -1.413 1.103 2.642 114 HA GLN 13 HA GLN 13 -0.617 3.863 3.181 115 HB2 GLN 13 2HB GLN 13 -2.454 2.618 1.102 116 HB3 GLN 13 3HB GLN 13 -2.287 4.360 1.307 117 HG2 GLN 13 2HG GLN 13 0.217 4.048 0.935 118 HG3 GLN 13 3HG GLN 13 -0.160 2.388 0.471 119 HE21 GLN 13 1HE2 GLN 13 -2.324 5.028 -0.340 120 HE22 GLN 13 2HE2 GLN 13 -1.976 5.028 -2.021 121 H THR 14 H THR 14 -1.745 5.259 4.371 122 HA THR 14 HA THR 14 -4.348 4.392 5.504 123 HB THR 14 HB THR 14 -2.425 6.562 6.491 124 HG1 THR 14 HG1 THR 14 -2.938 3.969 7.593 125 HG21 THR 14 3HG2 THR 14 -4.747 7.021 7.181 126 HG22 THR 14 1HG2 THR 14 -3.790 6.499 8.561 127 HG23 THR 14 2HG2 THR 14 -4.909 5.369 7.794 128 H ILE 15 H ILE 15 -5.882 5.082 4.083 129 HA ILE 15 HA ILE 15 -5.971 7.856 3.157 130 HB ILE 15 HB ILE 15 -7.677 5.402 2.558 131 HG12 ILE 15 2HG1 ILE 15 -7.204 6.058 0.166 132 HG13 ILE 15 3HG1 ILE 15 -6.225 7.402 0.742 133 HG21 ILE 15 1HG2 ILE 15 -8.493 8.253 1.859 134 HG22 ILE 15 2HG2 ILE 15 -9.325 7.167 2.973 135 HG23 ILE 15 3HG2 ILE 15 -9.272 6.785 1.256 136 HD11 ILE 15 3HD1 ILE 15 -4.626 5.820 1.711 137 HD12 ILE 15 1HD1 ILE 15 -4.866 5.521 -0.010 138 HD13 ILE 15 2HD1 ILE 15 -5.630 4.466 1.179 139 H HIS 16 H HIS 16 -7.070 9.388 4.177 140 HA HIS 16 HA HIS 16 -9.120 8.651 6.160 141 HB2 HIS 16 2HB HIS 16 -8.402 10.451 7.655 142 HB3 HIS 16 3HB HIS 16 -7.149 9.245 7.439 143 HD1 HIS 16 HD1 HIS 16 -7.602 12.748 7.661 144 HD2 HIS 16 HD2 HIS 16 -5.048 10.249 5.556 145 HE1 HIS 16 HE1 HIS 16 -5.589 14.143 7.145 146 HE2 HIS 16 HE2 HIS 16 -4.132 12.658 5.757 147 H TYR 17 H TYR 17 -10.850 9.887 6.272 148 HA TYR 17 HA TYR 17 -11.442 11.516 3.907 149 HB2 TYR 17 2HB TYR 17 -13.243 10.228 6.020 150 HB3 TYR 17 3HB TYR 17 -13.790 10.994 4.531 151 HD1 TYR 17 HD2 TYR 17 -12.764 10.006 2.316 152 HD2 TYR 17 HD1 TYR 17 -12.877 7.845 5.987 153 HE1 TYR 17 HE2 TYR 17 -12.445 7.919 1.084 154 HE2 TYR 17 HE1 TYR 17 -12.550 5.744 4.748 155 HH TYR 17 HH TYR 17 -11.798 5.718 1.337 156 H ARG 18 H ARG 18 -11.472 13.688 4.137 157 HA ARG 18 HA ARG 18 -12.191 14.899 6.733 158 HB2 ARG 18 2HB ARG 18 -9.720 14.480 6.734 159 HB3 ARG 18 3HB ARG 18 -9.557 15.494 5.304 160 HG2 ARG 18 2HG ARG 18 -10.084 17.471 6.487 161 HG3 ARG 18 3HG ARG 18 -10.785 16.580 7.844 162 HD2 ARG 18 2HD ARG 18 -8.536 15.706 8.391 163 HD3 ARG 18 3HD ARG 18 -7.839 16.699 7.101 164 HE ARG 18 HE ARG 18 -9.370 18.141 9.090 165 HH11 ARG 18 1HH1 ARG 18 -6.136 17.005 8.264 166 HH12 ARG 18 2HH1 ARG 18 -5.336 18.167 9.271 167 HH21 ARG 18 1HH2 ARG 18 -8.327 19.692 10.385 168 HH22 ARG 18 2HH2 ARG 18 -6.595 19.709 10.484 169 H TYR 19 H TYR 19 -13.226 16.734 6.546 170 HA TYR 19 HA TYR 19 -14.232 17.661 4.049 171 HB2 TYR 19 2HB TYR 19 -14.436 18.857 6.839 172 HB3 TYR 19 3HB TYR 19 -15.418 19.332 5.455 173 HD1 TYR 19 HD1 TYR 19 -17.094 17.658 4.511 174 HD2 TYR 19 HD2 TYR 19 -15.056 16.983 8.195 175 HE1 TYR 19 HE1 TYR 19 -18.805 16.031 5.167 176 HE2 TYR 19 HE2 TYR 19 -16.762 15.352 8.851 177 HH TYR 19 HH TYR 19 -19.168 14.879 8.306 178 H GLU 20 H GLU 20 -14.254 19.961 3.468 179 HA GLU 20 HA GLU 20 -11.734 20.864 2.680 180 HB2 GLU 20 2HB GLU 20 -12.986 22.884 1.847 181 HB3 GLU 20 3HB GLU 20 -13.723 21.356 1.378 182 HG2 GLU 20 2HG GLU 20 -15.434 21.571 3.062 183 HG3 GLU 20 3HG GLU 20 -14.656 22.988 3.758 184 H ASP 21 H ASP 21 -13.759 21.889 5.362 185 HA ASP 21 HA ASP 21 -12.345 24.303 5.988 186 HB2 ASP 21 2HB ASP 21 -13.900 24.497 7.846 187 HB3 ASP 21 3HB ASP 21 -14.780 23.970 6.419 188 H GLY 22 H GLY 22 -11.853 21.013 6.766 189 HA2 GLY 22 2HA GLY 22 -9.742 20.332 7.692 190 HA3 GLY 22 3HA GLY 22 -9.801 21.706 8.789 191 H ALA 23 H ALA 23 -12.890 20.385 8.616 192 HA ALA 23 HA ALA 23 -12.707 18.952 11.125 193 HB1 ALA 23 3HB ALA 23 -14.747 20.186 10.530 194 HB2 ALA 23 1HB ALA 23 -15.105 18.472 10.742 195 HB3 ALA 23 2HB ALA 23 -14.984 19.157 9.116 196 H VAL 24 H VAL 24 -12.667 16.692 11.400 197 HA VAL 24 HA VAL 24 -11.934 15.126 9.006 198 HB VAL 24 HB VAL 24 -11.803 14.317 11.960 199 HG11 VAL 24 1HG1 VAL 24 -10.321 12.498 11.175 200 HG12 VAL 24 2HG1 VAL 24 -10.575 12.996 9.500 201 HG13 VAL 24 3HG1 VAL 24 -11.924 12.378 10.455 202 HG21 VAL 24 3HG2 VAL 24 -10.323 16.231 11.500 203 HG22 VAL 24 1HG2 VAL 24 -9.575 15.360 10.158 204 HG23 VAL 24 2HG2 VAL 24 -9.382 14.775 11.813 205 H ALA 25 H ALA 25 -13.269 13.693 8.098 206 HA ALA 25 HA ALA 25 -15.889 13.058 9.208 207 HB1 ALA 25 3HB ALA 25 -16.231 11.820 7.084 208 HB2 ALA 25 1HB ALA 25 -14.540 12.086 6.648 209 HB3 ALA 25 2HB ALA 25 -15.645 13.456 6.788 210 H HIS 26 H HIS 26 -13.080 11.141 8.103 211 HA HIS 26 HA HIS 26 -13.171 9.316 10.379 212 HB2 HIS 26 2HB HIS 26 -13.371 8.249 7.522 213 HB3 HIS 26 3HB HIS 26 -13.121 7.275 8.963 214 HD1 HIS 26 HD1 HIS 26 -15.209 7.202 10.649 215 HD2 HIS 26 HD2 HIS 26 -15.987 8.700 6.852 216 HE1 HIS 26 HE1 HIS 26 -17.710 7.125 10.404 217 HE2 HIS 26 HE2 HIS 26 -18.143 7.932 8.057 218 H ASP 27 H ASP 27 -11.206 7.729 10.177 219 HA ASP 27 HA ASP 27 -9.074 8.556 8.394 220 HB2 ASP 27 2HB ASP 27 -7.452 9.166 10.111 221 HB3 ASP 27 3HB ASP 27 -8.848 10.224 10.210 222 H ASP 28 H ASP 28 -10.553 6.180 8.728 223 HA ASP 28 HA ASP 28 -8.793 4.299 10.198 224 HB2 ASP 28 2HB ASP 28 -11.741 4.023 9.434 225 HB3 ASP 28 3HB ASP 28 -10.809 2.899 10.421 226 H HIS 29 H HIS 29 -9.232 5.194 6.978 227 HA HIS 29 HA HIS 29 -9.886 2.498 5.964 228 HB2 HIS 29 2HB HIS 29 -11.008 4.632 5.093 229 HB3 HIS 29 3HB HIS 29 -9.483 5.016 4.304 230 HD1 HIS 29 HD1 HIS 29 -12.577 3.152 3.855 231 HD2 HIS 29 HD2 HIS 29 -8.746 3.032 2.261 232 HE1 HIS 29 HE1 HIS 29 -12.786 1.835 1.727 233 HE2 HIS 29 HE2 HIS 29 -10.426 1.627 0.881 234 H VAL 30 H VAL 30 -7.907 1.604 6.710 235 HA VAL 30 HA VAL 30 -5.406 2.460 5.383 236 HB VAL 30 HB VAL 30 -5.766 0.550 7.766 237 HG11 VAL 30 1HG1 VAL 30 -3.284 1.978 6.717 238 HG12 VAL 30 2HG1 VAL 30 -3.632 0.253 6.579 239 HG13 VAL 30 3HG1 VAL 30 -3.367 0.969 8.166 240 HG21 VAL 30 3HG2 VAL 30 -6.615 2.801 8.334 241 HG22 VAL 30 1HG2 VAL 30 -5.088 3.523 7.823 242 HG23 VAL 30 2HG2 VAL 30 -5.133 2.441 9.217 243 H VAL 31 H VAL 31 -4.993 1.383 3.589 244 HA VAL 31 HA VAL 31 -5.890 -1.399 3.160 245 HB VAL 31 HB VAL 31 -6.854 0.245 1.588 246 HG11 VAL 31 1HG1 VAL 31 -5.476 1.512 -0.018 247 HG12 VAL 31 2HG1 VAL 31 -4.006 0.922 0.765 248 HG13 VAL 31 3HG1 VAL 31 -5.119 1.968 1.650 249 HG21 VAL 31 3HG2 VAL 31 -6.258 -0.844 -0.553 250 HG22 VAL 31 1HG2 VAL 31 -6.446 -2.031 0.740 251 HG23 VAL 31 2HG2 VAL 31 -4.834 -1.567 0.195 252 H SER 32 H SER 32 -4.382 -2.906 2.333 253 HA SER 32 HA SER 32 -1.546 -2.122 2.153 254 HB2 SER 32 2HB SER 32 -2.583 -4.476 3.799 255 HB3 SER 32 3HB SER 32 -0.880 -4.135 3.472 256 HG SER 32 HG SER 32 -2.494 -2.153 4.630 257 H LEU 33 H LEU 33 -0.438 -3.139 0.590 258 HA LEU 33 HA LEU 33 -1.665 -5.439 -0.837 259 HB2 LEU 33 2HB LEU 33 0.285 -3.301 -1.761 260 HB3 LEU 33 3HB LEU 33 -0.032 -4.758 -2.687 261 HG LEU 33 HG LEU 33 -2.100 -2.633 -2.004 262 HD11 LEU 33 1HD1 LEU 33 -0.391 -1.889 -3.627 263 HD12 LEU 33 2HD1 LEU 33 -1.992 -2.015 -4.343 264 HD13 LEU 33 3HD1 LEU 33 -0.787 -3.263 -4.664 265 HD21 LEU 33 3HD2 LEU 33 -3.583 -3.845 -3.556 266 HD22 LEU 33 1HD2 LEU 33 -3.131 -4.859 -2.187 267 HD23 LEU 33 2HD2 LEU 33 -2.364 -5.106 -3.757 268 H ILE 34 H ILE 34 -0.637 -7.328 -0.725 269 HA ILE 34 HA ILE 34 1.708 -7.606 0.993 270 HB ILE 34 HB ILE 34 -0.320 -9.602 -0.131 271 HG12 ILE 34 2HG1 ILE 34 -0.799 -10.034 2.335 272 HG13 ILE 34 3HG1 ILE 34 0.262 -8.692 2.734 273 HG21 ILE 34 1HG2 ILE 34 1.817 -10.766 -0.138 274 HG22 ILE 34 2HG2 ILE 34 0.810 -11.401 1.159 275 HG23 ILE 34 3HG2 ILE 34 2.128 -10.291 1.530 276 HD11 ILE 34 3HD1 ILE 34 -1.270 -7.151 1.599 277 HD12 ILE 34 1HD1 ILE 34 -2.091 -8.078 2.853 278 HD13 ILE 34 2HD1 ILE 34 -2.313 -8.505 1.158 279 H PHE 35 H PHE 35 3.583 -7.250 -0.151 280 HA PHE 35 HA PHE 35 3.936 -8.478 -2.807 281 HB2 PHE 35 2HB PHE 35 5.668 -6.462 -1.302 282 HB3 PHE 35 3HB PHE 35 6.090 -7.169 -2.859 283 HD1 PHE 35 HD1 PHE 35 3.543 -5.046 -1.145 284 HD2 PHE 35 HD2 PHE 35 5.235 -6.236 -4.881 285 HE1 PHE 35 HE1 PHE 35 2.286 -3.274 -2.287 286 HE2 PHE 35 HE2 PHE 35 3.978 -4.458 -6.010 287 HZ PHE 35 HZ PHE 35 2.498 -2.977 -4.718 288 H THR 36 H THR 36 4.357 -10.559 -2.517 289 HA THR 36 HA THR 36 5.957 -11.566 -0.323 290 HB THR 36 HB THR 36 4.803 -13.068 -2.717 291 HG1 THR 36 HG1 THR 36 2.934 -12.728 -1.805 292 HG21 THR 36 3HG2 THR 36 5.616 -14.069 0.036 293 HG22 THR 36 1HG2 THR 36 6.507 -14.351 -1.463 294 HG23 THR 36 2HG2 THR 36 4.897 -15.037 -1.251 295 H GLN 37 H GLN 37 8.081 -11.016 -0.550 296 HA GLN 37 HA GLN 37 9.514 -11.394 -3.077 297 HB2 GLN 37 2HB GLN 37 10.253 -10.188 -0.389 298 HB3 GLN 37 3HB GLN 37 11.520 -10.665 -1.513 299 HG2 GLN 37 2HG GLN 37 9.296 -8.711 -2.188 300 HG3 GLN 37 3HG GLN 37 10.912 -8.251 -1.651 301 HE21 GLN 37 1HE2 GLN 37 9.572 -7.638 -4.201 302 HE22 GLN 37 2HE2 GLN 37 10.610 -8.263 -5.432 303 H SER 38 H SER 38 9.845 -13.451 -3.536 304 HA SER 38 HA SER 38 10.106 -15.444 -1.396 305 HB2 SER 38 2HB SER 38 9.606 -15.810 -4.387 306 HB3 SER 38 3HB SER 38 9.533 -17.072 -3.153 307 HG SER 38 HG SER 38 7.860 -14.779 -3.322 308 H GLY 39 H GLY 39 11.706 -17.010 -1.365 309 HA2 GLY 39 2HA GLY 39 13.951 -17.065 -3.185 310 HA3 GLY 39 3HA GLY 39 14.330 -16.400 -1.594 311 H LYS 40 H LYS 40 15.699 -18.145 -1.104 312 HA LYS 40 HA LYS 40 14.358 -20.537 -0.134 313 HB2 LYS 40 2HB LYS 40 15.970 -22.071 -1.278 314 HB3 LYS 40 3HB LYS 40 14.884 -21.253 -2.380 315 HG2 LYS 40 2HG LYS 40 16.897 -21.171 -3.535 316 HG3 LYS 40 3HG LYS 40 16.870 -19.590 -2.751 317 HD2 LYS 40 2HD LYS 40 18.361 -20.499 -0.958 318 HD3 LYS 40 3HD LYS 40 18.419 -22.041 -1.812 319 HE2 LYS 40 2HE LYS 40 19.356 -19.391 -2.941 320 HE3 LYS 40 3HE LYS 40 20.407 -20.603 -2.223 321 HZ1 LYS 40 3HZ LYS 40 18.729 -20.999 -4.637 322 HZ2 LYS 40 1HZ LYS 40 19.790 -22.129 -3.966 323 HZ3 LYS 40 2HZ LYS 40 20.393 -20.701 -4.628 324 H ARG 41 H ARG 41 15.476 -21.513 1.637 325 HA ARG 41 HA ARG 41 17.666 -19.838 2.704 326 HB2 ARG 41 2HB ARG 41 15.626 -20.101 4.143 327 HB3 ARG 41 3HB ARG 41 15.933 -21.826 4.238 328 HG2 ARG 41 2HG ARG 41 18.064 -21.413 5.376 329 HG3 ARG 41 3HG ARG 41 17.833 -19.669 5.230 330 HD2 ARG 41 2HD ARG 41 16.047 -21.563 6.791 331 HD3 ARG 41 3HD ARG 41 17.266 -20.493 7.488 332 HE ARG 41 HE ARG 41 14.827 -19.572 6.072 333 HH11 ARG 41 2HH1 ARG 41 17.220 -19.088 8.610 334 HH12 ARG 41 1HH1 ARG 41 16.459 -17.651 9.204 335 HH21 ARG 41 2HH2 ARG 41 13.898 -17.643 6.821 336 HH22 ARG 41 1HH2 ARG 41 14.581 -16.839 8.193 337 H ASP 42 H ASP 42 19.605 -20.593 2.704 338 HA ASP 42 HA ASP 42 20.400 -23.294 2.147 339 HB2 ASP 42 2HB ASP 42 21.787 -21.416 1.466 340 HB3 ASP 42 3HB ASP 42 21.853 -20.791 3.095 341 H LEU 43 H LEU 43 20.159 -24.839 3.666 342 HA LEU 43 HA LEU 43 19.735 -24.135 6.455 343 HB2 LEU 43 2HB LEU 43 19.571 -26.826 5.030 344 HB3 LEU 43 3HB LEU 43 19.122 -26.546 6.708 345 HG LEU 43 HG LEU 43 17.761 -25.323 4.275 346 HD11 LEU 43 1HD1 LEU 43 16.742 -27.412 6.231 347 HD12 LEU 43 2HD1 LEU 43 17.219 -27.690 4.554 348 HD13 LEU 43 3HD1 LEU 43 15.822 -26.683 4.910 349 HD21 LEU 43 3HD2 LEU 43 17.716 -23.708 6.081 350 HD22 LEU 43 1HD2 LEU 43 17.141 -24.930 7.221 351 HD23 LEU 43 2HD2 LEU 43 16.113 -24.403 5.889 352 H THR 44 H THR 44 22.522 -25.005 4.681 353 HA THR 44 HA THR 44 23.761 -26.556 6.803 354 HB THR 44 HB THR 44 24.396 -27.061 4.484 355 HG1 THR 44 HG1 THR 44 25.922 -27.455 6.200 356 HG21 THR 44 3HG2 THR 44 25.752 -24.351 4.445 357 HG22 THR 44 1HG2 THR 44 24.359 -24.839 3.479 358 HG23 THR 44 2HG2 THR 44 25.924 -25.611 3.217 359 H ASN 45 H ASN 45 24.061 -23.196 5.607 360 HA ASN 45 HA ASN 45 25.592 -22.450 8.031 361 HB2 ASN 45 2HB ASN 45 24.639 -20.713 5.702 362 HB3 ASN 45 3HB ASN 45 25.583 -20.123 7.059 363 HD21 ASN 45 1HD2 ASN 45 25.658 -21.734 4.042 364 HD22 ASN 45 2HD2 ASN 45 27.367 -21.874 3.905 365 H GLY 46 H GLY 46 22.382 -22.269 6.621 366 HA2 GLY 46 2HA GLY 46 20.359 -21.795 7.777 367 HA3 GLY 46 3HA GLY 46 21.266 -20.989 9.054 368 H LYS 47 H LYS 47 22.380 -20.161 5.958 369 HA LYS 47 HA LYS 47 21.614 -17.410 6.347 370 HB2 LYS 47 2HB LYS 47 23.174 -16.919 4.546 371 HB3 LYS 47 3HB LYS 47 23.923 -18.078 5.630 372 HG2 LYS 47 2HG LYS 47 23.272 -19.883 4.020 373 HG3 LYS 47 3HG LYS 47 22.750 -18.630 2.899 374 HD2 LYS 47 2HD LYS 47 25.583 -18.936 3.977 375 HD3 LYS 47 3HD LYS 47 25.028 -19.544 2.419 376 HE2 LYS 47 2HE LYS 47 26.141 -17.522 1.927 377 HE3 LYS 47 3HE LYS 47 24.430 -17.114 1.860 378 HZ1 LYS 47 3HZ LYS 47 25.835 -15.465 3.023 379 HZ2 LYS 47 1HZ LYS 47 26.155 -16.618 4.226 380 HZ3 LYS 47 2HZ LYS 47 24.577 -16.061 3.979 381 H GLU 48 H GLU 48 20.219 -16.216 5.102 382 HA GLU 48 HA GLU 48 18.297 -17.670 3.426 383 HB2 GLU 48 2HB GLU 48 18.339 -14.831 4.523 384 HB3 GLU 48 3HB GLU 48 17.034 -15.482 3.532 385 HG2 GLU 48 2HG GLU 48 16.368 -17.008 5.234 386 HG3 GLU 48 3HG GLU 48 17.840 -16.743 6.154 387 H ILE 49 H ILE 49 18.511 -17.661 1.288 388 HA ILE 49 HA ILE 49 19.861 -15.397 -0.062 389 HB ILE 49 HB ILE 49 19.410 -18.235 -1.106 390 HG12 ILE 49 2HG1 ILE 49 21.098 -18.242 0.671 391 HG13 ILE 49 3HG1 ILE 49 21.871 -18.474 -0.885 392 HG21 ILE 49 1HG2 ILE 49 20.933 -15.902 -2.341 393 HG22 ILE 49 2HG2 ILE 49 19.427 -16.608 -2.933 394 HG23 ILE 49 3HG2 ILE 49 20.912 -17.555 -2.961 395 HD11 ILE 49 3HD1 ILE 49 23.197 -17.018 0.528 396 HD12 ILE 49 1HD1 ILE 49 21.836 -15.909 0.702 397 HD13 ILE 49 2HD1 ILE 49 22.605 -16.127 -0.872 398 H TRP 50 H TRP 50 18.752 -14.331 -1.606 399 HA TRP 50 HA TRP 50 15.870 -14.938 -1.949 400 HB2 TRP 50 2HB TRP 50 17.157 -12.210 -1.422 401 HB3 TRP 50 3HB TRP 50 15.448 -12.484 -1.775 402 HD1 TRP 50 HD1 TRP 50 17.876 -12.410 1.108 403 HE1 TRP 50 HE1 TRP 50 16.689 -13.151 3.268 404 HE3 TRP 50 HE3 TRP 50 13.539 -14.183 -0.909 405 HZ2 TRP 50 HZ2 TRP 50 14.244 -14.319 4.019 406 HZ3 TRP 50 HZ3 TRP 50 11.823 -15.095 0.591 407 HH2 TRP 50 HH2 TRP 50 12.168 -15.165 3.006 408 H ASP 51 H ASP 51 15.100 -14.635 -3.988 409 HA ASP 51 HA ASP 51 16.908 -14.429 -6.171 410 HB2 ASP 51 2HB ASP 51 14.758 -15.649 -6.348 411 HB3 ASP 51 3HB ASP 51 13.863 -14.141 -6.148 412 H SER 52 H SER 52 17.988 -12.615 -6.528 413 HA SER 52 HA SER 52 17.276 -9.978 -5.859 414 HB2 SER 52 2HB SER 52 19.601 -10.718 -6.267 415 HB3 SER 52 3HB SER 52 19.248 -10.972 -7.975 416 HG SER 52 HG SER 52 19.230 -8.526 -6.541 417 H LYS 53 H LYS 53 16.595 -11.933 -8.665 418 HA LYS 53 HA LYS 53 15.687 -9.778 -10.378 419 HB2 LYS 53 2HB LYS 53 15.487 -12.803 -10.711 420 HB3 LYS 53 3HB LYS 53 15.089 -11.613 -11.949 421 HG2 LYS 53 2HG LYS 53 17.436 -10.834 -11.966 422 HG3 LYS 53 3HG LYS 53 17.838 -12.036 -10.737 423 HD2 LYS 53 2HD LYS 53 17.241 -13.856 -12.303 424 HD3 LYS 53 3HD LYS 53 16.797 -12.666 -13.529 425 HE2 LYS 53 2HE LYS 53 19.580 -13.062 -12.373 426 HE3 LYS 53 3HE LYS 53 19.031 -13.606 -13.955 427 HZ1 LYS 53 3HZ LYS 53 20.266 -11.569 -14.146 428 HZ2 LYS 53 1HZ LYS 53 19.238 -10.785 -13.056 429 HZ3 LYS 53 2HZ LYS 53 18.653 -11.289 -14.562 430 H TRP 54 H TRP 54 14.277 -11.246 -7.739 431 HA TRP 54 HA TRP 54 11.581 -11.502 -8.726 432 HB2 TRP 54 2HB TRP 54 12.644 -12.775 -6.724 433 HB3 TRP 54 3HB TRP 54 12.341 -11.320 -5.780 434 HD1 TRP 54 HD1 TRP 54 9.653 -10.650 -5.444 435 HE1 TRP 54 HE1 TRP 54 7.578 -12.163 -5.382 436 HE3 TRP 54 HE3 TRP 54 11.607 -14.835 -7.662 437 HZ2 TRP 54 HZ2 TRP 54 6.857 -14.773 -6.157 438 HZ3 TRP 54 HZ3 TRP 54 10.150 -16.796 -7.965 439 HH2 TRP 54 HH2 TRP 54 7.822 -16.764 -7.227 440 H SER 55 H SER 55 10.360 -9.820 -9.161 441 HA SER 55 HA SER 55 10.233 -7.478 -7.400 442 HB2 SER 55 2HB SER 55 10.158 -5.977 -9.443 443 HB3 SER 55 3HB SER 55 11.728 -6.727 -9.175 444 HG SER 55 HG SER 55 9.940 -8.095 -10.825 445 H LEU 56 H LEU 56 8.130 -6.888 -7.061 446 HA LEU 56 HA LEU 56 6.058 -8.171 -8.752 447 HB2 LEU 56 2HB LEU 56 6.355 -9.318 -6.524 448 HB3 LEU 56 3HB LEU 56 5.939 -7.810 -5.724 449 HG LEU 56 HG LEU 56 3.670 -7.900 -6.791 450 HD11 LEU 56 1HD1 LEU 56 2.888 -9.978 -7.868 451 HD12 LEU 56 2HD1 LEU 56 4.526 -10.635 -7.806 452 HD13 LEU 56 3HD1 LEU 56 4.180 -9.212 -8.791 453 HD21 LEU 56 3HD2 LEU 56 4.419 -10.339 -5.134 454 HD22 LEU 56 1HD2 LEU 56 2.781 -9.720 -5.372 455 HD23 LEU 56 2HD2 LEU 56 3.973 -8.745 -4.522 456 H THR 57 H THR 57 4.405 -6.888 -9.354 457 HA THR 57 HA THR 57 4.321 -4.082 -8.388 458 HB THR 57 HB THR 57 3.631 -5.088 -11.195 459 HG1 THR 57 HG1 THR 57 5.857 -3.454 -10.815 460 HG21 THR 57 3HG2 THR 57 3.637 -2.709 -11.824 461 HG22 THR 57 1HG2 THR 57 4.004 -2.244 -10.153 462 HG23 THR 57 2HG2 THR 57 2.458 -2.992 -10.551 463 H GLN 58 H GLN 58 2.456 -3.735 -7.268 464 HA GLN 58 HA GLN 58 -0.063 -5.031 -8.167 465 HB2 GLN 58 2HB GLN 58 0.753 -4.618 -5.253 466 HB3 GLN 58 3HB GLN 58 -0.770 -5.296 -5.816 467 HG2 GLN 58 2HG GLN 58 0.389 -7.256 -6.697 468 HG3 GLN 58 3HG GLN 58 1.948 -6.562 -6.246 469 HE21 GLN 58 1HE2 GLN 58 0.737 -9.069 -5.416 470 HE22 GLN 58 2HE2 GLN 58 0.662 -9.022 -3.697 471 H THR 59 H THR 59 -1.972 -3.779 -7.708 472 HA THR 59 HA THR 59 -1.385 -0.879 -7.873 473 HB THR 59 HB THR 59 -3.735 -2.473 -8.993 474 HG1 THR 59 HG1 THR 59 -1.712 -1.212 -10.523 475 HG21 THR 59 3HG2 THR 59 -2.982 0.440 -9.499 476 HG22 THR 59 1HG2 THR 59 -4.352 -0.107 -8.528 477 HG23 THR 59 2HG2 THR 59 -4.309 -0.445 -10.258 478 H PHE 60 H PHE 60 -1.974 0.299 -6.100 479 HA PHE 60 HA PHE 60 -4.126 -0.362 -4.322 480 HB2 PHE 60 2HB PHE 60 -2.551 2.207 -4.776 481 HB3 PHE 60 3HB PHE 60 -3.896 2.134 -3.640 482 HD1 PHE 60 HD1 PHE 60 -3.780 0.670 -1.641 483 HD2 PHE 60 HD2 PHE 60 -0.420 1.206 -4.221 484 HE1 PHE 60 HE1 PHE 60 -2.306 -0.257 0.089 485 HE2 PHE 60 HE2 PHE 60 1.053 0.286 -2.483 486 HZ PHE 60 HZ PHE 60 0.106 -0.448 -0.346 487 H GLU 61 H GLU 61 -5.985 -0.679 -5.311 488 HA GLU 61 HA GLU 61 -7.299 1.515 -6.770 489 HB2 GLU 61 2HB GLU 61 -8.055 -0.049 -8.518 490 HB3 GLU 61 3HB GLU 61 -6.308 0.094 -8.497 491 HG2 GLU 61 2HG GLU 61 -6.102 -2.067 -7.379 492 HG3 GLU 61 3HG GLU 61 -7.858 -2.205 -7.271 493 H ALA 62 H ALA 62 -9.657 0.665 -7.317 494 HA ALA 62 HA ALA 62 -11.736 0.400 -6.464 495 HB1 ALA 62 3HB ALA 62 -11.163 -1.969 -6.794 496 HB2 ALA 62 1HB ALA 62 -12.202 -1.778 -5.383 497 HB3 ALA 62 2HB ALA 62 -10.470 -2.054 -5.174 498 H LEU 63 H LEU 63 -10.353 2.309 -5.176 499 HA LEU 63 HA LEU 63 -10.668 1.953 -2.257 500 HB2 LEU 63 2HB LEU 63 -8.405 2.644 -3.502 501 HB3 LEU 63 3HB LEU 63 -9.130 4.234 -3.549 502 HG LEU 63 HG LEU 63 -7.615 4.140 -1.674 503 HD11 LEU 63 1HD1 LEU 63 -10.442 3.990 -0.577 504 HD12 LEU 63 2HD1 LEU 63 -9.648 5.425 -1.230 505 HD13 LEU 63 3HD1 LEU 63 -9.038 4.685 0.247 506 HD21 LEU 63 3HD2 LEU 63 -7.487 1.710 -1.408 507 HD22 LEU 63 1HD2 LEU 63 -9.105 1.681 -0.700 508 HD23 LEU 63 2HD2 LEU 63 -7.781 2.492 0.142 509 HA PRO 64 HA PRO 64 -14.114 4.795 -3.389 510 HB2 PRO 64 2HB PRO 64 -16.035 3.684 -1.883 511 HB3 PRO 64 3HB PRO 64 -15.374 2.794 -3.271 512 HG2 PRO 64 2HG PRO 64 -14.840 2.413 -0.363 513 HG3 PRO 64 3HG PRO 64 -14.970 1.204 -1.654 514 HD2 PRO 64 2HD PRO 64 -12.561 2.309 -0.627 515 HD3 PRO 64 3HD PRO 64 -12.731 1.304 -2.078 516 H SER 65 H SER 65 -15.942 5.704 -1.593 517 HA SER 65 HA SER 65 -14.705 6.633 0.877 518 HB2 SER 65 2HB SER 65 -14.812 9.005 0.331 519 HB3 SER 65 3HB SER 65 -13.907 8.222 -0.962 520 HG SER 65 HG SER 65 -15.946 8.141 -2.124 521 HA PRO 66 HA PRO 66 -19.115 6.517 2.032 522 HB2 PRO 66 2HB PRO 66 -19.069 8.287 4.190 523 HB3 PRO 66 3HB PRO 66 -18.531 6.601 4.291 524 HG2 PRO 66 2HG PRO 66 -16.888 9.086 3.935 525 HG3 PRO 66 3HG PRO 66 -16.600 7.680 4.994 526 HD2 PRO 66 2HD PRO 66 -15.302 7.938 2.655 527 HD3 PRO 66 3HD PRO 66 -15.828 6.343 3.241 528 H VAL 67 H VAL 67 -20.565 7.527 0.707 529 HA VAL 67 HA VAL 67 -20.349 10.208 -0.231 530 HB VAL 67 HB VAL 67 -22.887 8.501 -0.093 531 HG11 VAL 67 1HG1 VAL 67 -23.336 10.884 -0.534 532 HG12 VAL 67 2HG1 VAL 67 -23.698 9.907 -1.955 533 HG13 VAL 67 3HG1 VAL 67 -22.214 10.862 -1.898 534 HG21 VAL 67 3HG2 VAL 67 -20.860 8.663 -2.363 535 HG22 VAL 67 1HG2 VAL 67 -22.376 7.754 -2.384 536 HG23 VAL 67 2HG2 VAL 67 -21.085 7.290 -1.277 537 H ILE 68 H ILE 68 -20.361 11.836 1.240 538 HA ILE 68 HA ILE 68 -22.139 11.743 3.578 539 HB ILE 68 HB ILE 68 -19.962 13.785 2.879 540 HG12 ILE 68 2HG1 ILE 68 -19.837 11.394 4.795 541 HG13 ILE 68 3HG1 ILE 68 -19.040 11.481 3.231 542 HG21 ILE 68 1HG2 ILE 68 -21.462 13.301 5.491 543 HG22 ILE 68 2HG2 ILE 68 -21.679 14.677 4.407 544 HG23 ILE 68 3HG2 ILE 68 -20.149 14.462 5.253 545 HD11 ILE 68 3HD1 ILE 68 -18.437 13.216 5.617 546 HD12 ILE 68 1HD1 ILE 68 -17.625 13.292 4.048 547 HD13 ILE 68 2HD1 ILE 68 -17.495 11.841 5.043 548 H ILE 69 H ILE 69 -23.976 12.875 3.630 549 HA ILE 69 HA ILE 69 -25.079 14.067 1.316 550 HB ILE 69 HB ILE 69 -26.040 14.048 4.208 551 HG12 ILE 69 2HG1 ILE 69 -25.858 11.780 3.296 552 HG13 ILE 69 3HG1 ILE 69 -27.557 12.203 3.437 553 HG21 ILE 69 1HG2 ILE 69 -27.633 14.777 1.732 554 HG22 ILE 69 2HG2 ILE 69 -27.155 15.876 3.026 555 HG23 ILE 69 3HG2 ILE 69 -28.292 14.571 3.357 556 HD11 ILE 69 3HD1 ILE 69 -25.938 12.174 0.879 557 HD12 ILE 69 1HD1 ILE 69 -27.641 12.626 1.008 558 HD13 ILE 69 2HD1 ILE 69 -27.133 10.981 1.384 559 H GLY 70 H GLY 70 -25.246 16.150 0.671 560 HA2 GLY 70 2HA GLY 70 -24.990 18.423 0.590 561 HA3 GLY 70 3HA GLY 70 -24.581 18.432 2.303 562 H TYR 71 H TYR 71 -22.685 16.155 0.628 563 HA TYR 71 HA TYR 71 -20.476 18.067 0.186 564 HB2 TYR 71 2HB TYR 71 -20.281 15.587 1.951 565 HB3 TYR 71 3HB TYR 71 -18.896 16.527 1.398 566 HD1 TYR 71 HD1 TYR 71 -18.553 18.877 2.251 567 HD2 TYR 71 HD2 TYR 71 -21.678 16.396 3.767 568 HE1 TYR 71 HE1 TYR 71 -18.836 20.392 4.166 569 HE2 TYR 71 HE2 TYR 71 -21.939 17.898 5.679 570 HH TYR 71 HH TYR 71 -20.546 20.987 5.804 571 H THR 72 H THR 72 -18.727 17.250 -1.007 572 HA THR 72 HA THR 72 -18.967 14.707 -2.434 573 HB THR 72 HB THR 72 -18.760 17.420 -3.859 574 HG1 THR 72 HG1 THR 72 -20.872 15.827 -3.257 575 HG21 THR 72 3HG2 THR 72 -18.740 16.161 -5.974 576 HG22 THR 72 1HG2 THR 72 -18.717 14.628 -5.085 577 HG23 THR 72 2HG2 THR 72 -17.342 15.728 -4.997 578 H ALA 73 H ALA 73 -16.926 13.812 -2.515 579 HA ALA 73 HA ALA 73 -14.676 15.248 -1.401 580 HB1 ALA 73 3HB ALA 73 -15.035 12.886 -0.849 581 HB2 ALA 73 1HB ALA 73 -13.473 13.108 -1.642 582 HB3 ALA 73 2HB ALA 73 -14.835 12.439 -2.544 583 H ASP 74 H ASP 74 -12.627 15.512 -2.446 584 HA ASP 74 HA ASP 74 -12.660 16.467 -5.160 585 HB2 ASP 74 2HB ASP 74 -11.210 17.410 -3.341 586 HB3 ASP 74 3HB ASP 74 -10.300 15.911 -3.282 587 H LYS 75 H LYS 75 -11.320 13.699 -3.468 588 HA LYS 75 HA LYS 75 -11.491 12.110 -5.930 589 HB2 LYS 75 2HB LYS 75 -9.590 10.660 -5.054 590 HB3 LYS 75 3HB LYS 75 -9.135 12.224 -5.686 591 HG2 LYS 75 2HG LYS 75 -9.479 11.802 -2.718 592 HG3 LYS 75 3HG LYS 75 -7.988 11.336 -3.524 593 HD2 LYS 75 2HD LYS 75 -9.168 14.144 -3.536 594 HD3 LYS 75 3HD LYS 75 -7.872 13.599 -2.470 595 HE2 LYS 75 2HE LYS 75 -6.449 13.145 -4.457 596 HE3 LYS 75 3HE LYS 75 -7.745 13.720 -5.506 597 HZ1 LYS 75 3HZ LYS 75 -7.556 15.906 -4.510 598 HZ2 LYS 75 1HZ LYS 75 -6.054 15.420 -5.112 599 HZ3 LYS 75 2HZ LYS 75 -6.358 15.364 -3.453 600 HA PRO 76 HA PRO 76 -14.264 10.092 -2.822 601 HB2 PRO 76 2HB PRO 76 -16.309 9.563 -4.547 602 HB3 PRO 76 3HB PRO 76 -16.115 11.157 -3.791 603 HG2 PRO 76 2HG PRO 76 -15.331 10.275 -6.544 604 HG3 PRO 76 3HG PRO 76 -16.150 11.768 -6.035 605 HD2 PRO 76 2HD PRO 76 -13.469 11.654 -6.570 606 HD3 PRO 76 3HD PRO 76 -14.171 12.793 -5.397 607 H MET 77 H MET 77 -12.621 9.326 -5.637 608 HA MET 77 HA MET 77 -12.348 6.509 -4.905 609 HB2 MET 77 2HB MET 77 -13.971 6.400 -6.721 610 HB3 MET 77 3HB MET 77 -13.077 7.574 -7.673 611 HG2 MET 77 2HG MET 77 -12.815 5.371 -8.612 612 HG3 MET 77 3HG MET 77 -11.268 5.938 -7.985 613 HE1 MET 77 3HE MET 77 -11.880 2.922 -8.810 614 HE2 MET 77 1HE MET 77 -11.098 2.065 -7.482 615 HE3 MET 77 2HE MET 77 -10.319 3.475 -8.196 616 H VAL 78 H VAL 78 -10.235 6.402 -4.458 617 HA VAL 78 HA VAL 78 -8.283 8.309 -5.315 618 HB VAL 78 HB VAL 78 -7.954 5.601 -3.920 619 HG11 VAL 78 1HG1 VAL 78 -5.669 6.326 -3.323 620 HG12 VAL 78 2HG1 VAL 78 -5.870 7.784 -4.298 621 HG13 VAL 78 3HG1 VAL 78 -5.865 6.200 -5.072 622 HG21 VAL 78 3HG2 VAL 78 -7.640 6.954 -1.867 623 HG22 VAL 78 1HG2 VAL 78 -9.220 7.248 -2.591 624 HG23 VAL 78 2HG2 VAL 78 -7.928 8.433 -2.787 625 H GLY 79 H GLY 79 -7.179 8.323 -7.187 626 HA2 GLY 79 2HA GLY 79 -7.759 6.678 -9.358 627 HA3 GLY 79 3HA GLY 79 -6.395 7.772 -9.257 628 HA PRO 80 HA PRO 80 -5.549 2.900 -8.214 629 HB2 PRO 80 2HB PRO 80 -5.818 2.529 -11.218 630 HB3 PRO 80 3HB PRO 80 -6.121 1.367 -9.903 631 HG2 PRO 80 2HG PRO 80 -8.165 2.542 -11.063 632 HG3 PRO 80 3HG PRO 80 -8.145 2.382 -9.289 633 HD2 PRO 80 2HD PRO 80 -7.598 4.806 -10.977 634 HD3 PRO 80 3HD PRO 80 -8.451 4.676 -9.423 635 H ASP 81 H ASP 81 -3.385 2.501 -7.994 636 HA ASP 81 HA ASP 81 -1.476 3.504 -10.013 637 HB2 ASP 81 2HB ASP 81 -1.601 5.294 -8.339 638 HB3 ASP 81 3HB ASP 81 -1.311 4.150 -7.033 639 H GLU 82 H GLU 82 0.154 2.172 -10.397 640 HA GLU 82 HA GLU 82 0.387 -0.381 -9.046 641 HB2 GLU 82 2HB GLU 82 1.954 0.838 -11.380 642 HB3 GLU 82 3HB GLU 82 2.147 -0.807 -10.791 643 HG2 GLU 82 2HG GLU 82 0.819 -0.860 -12.779 644 HG3 GLU 82 3HG GLU 82 -0.197 -1.300 -11.416 645 H VAL 83 H VAL 83 1.567 -0.494 -7.229 646 HA VAL 83 HA VAL 83 4.103 0.984 -6.925 647 HB VAL 83 HB VAL 83 2.429 -0.667 -4.946 648 HG11 VAL 83 1HG1 VAL 83 5.063 0.781 -4.418 649 HG12 VAL 83 2HG1 VAL 83 4.792 -0.963 -4.391 650 HG13 VAL 83 3HG1 VAL 83 4.015 0.060 -3.189 651 HG21 VAL 83 3HG2 VAL 83 2.983 2.331 -5.083 652 HG22 VAL 83 1HG2 VAL 83 2.053 1.506 -3.825 653 HG23 VAL 83 2HG2 VAL 83 1.465 1.523 -5.484 654 H THR 84 H THR 84 6.019 -0.110 -7.186 655 HA THR 84 HA THR 84 5.998 -3.060 -7.457 656 HB THR 84 HB THR 84 8.007 -1.085 -8.649 657 HG1 THR 84 HG1 THR 84 5.966 -0.963 -9.652 658 HG21 THR 84 3HG2 THR 84 8.802 -3.021 -9.968 659 HG22 THR 84 1HG2 THR 84 7.661 -4.084 -9.136 660 HG23 THR 84 2HG2 THR 84 8.988 -3.336 -8.246 661 H VAL 85 H VAL 85 6.662 -3.908 -5.519 662 HA VAL 85 HA VAL 85 9.104 -2.815 -4.253 663 HB VAL 85 HB VAL 85 7.296 -5.104 -3.299 664 HG11 VAL 85 1HG1 VAL 85 9.720 -3.850 -1.934 665 HG12 VAL 85 2HG1 VAL 85 9.628 -5.476 -2.610 666 HG13 VAL 85 3HG1 VAL 85 8.639 -5.053 -1.218 667 HG21 VAL 85 3HG2 VAL 85 6.617 -3.539 -1.504 668 HG22 VAL 85 1HG2 VAL 85 6.214 -2.900 -3.098 669 HG23 VAL 85 2HG2 VAL 85 7.609 -2.269 -2.222 670 H ASP 86 H ASP 86 10.874 -3.452 -5.172 671 HA ASP 86 HA ASP 86 11.209 -6.112 -6.398 672 HB2 ASP 86 2HB ASP 86 11.739 -4.148 -7.800 673 HB3 ASP 86 3HB ASP 86 12.817 -3.517 -6.567 674 H SER 87 H SER 87 13.168 -7.271 -5.876 675 HA SER 87 HA SER 87 13.599 -7.785 -3.203 676 HB2 SER 87 2HB SER 87 14.088 -9.272 -5.174 677 HB3 SER 87 3HB SER 87 15.546 -8.328 -5.476 678 HG SER 87 HG SER 87 15.212 -10.376 -3.824 679 H LYS 88 H LYS 88 15.326 -5.515 -5.282 680 HA LYS 88 HA LYS 88 17.492 -4.994 -3.486 681 HB2 LYS 88 2HB LYS 88 16.424 -3.369 -5.827 682 HB3 LYS 88 3HB LYS 88 17.830 -2.900 -4.886 683 HG2 LYS 88 2HG LYS 88 18.775 -3.911 -6.751 684 HG3 LYS 88 3HG LYS 88 18.814 -5.209 -5.558 685 HD2 LYS 88 2HD LYS 88 16.902 -6.284 -6.576 686 HD3 LYS 88 3HD LYS 88 16.616 -4.894 -7.626 687 HE2 LYS 88 2HE LYS 88 18.891 -5.340 -8.660 688 HE3 LYS 88 3HE LYS 88 18.920 -6.857 -7.756 689 HZ1 LYS 88 3HZ LYS 88 16.950 -6.044 -9.823 690 HZ2 LYS 88 1HZ LYS 88 16.819 -7.448 -8.884 691 HZ3 LYS 88 2HZ LYS 88 18.111 -7.262 -9.948 692 H ASN 89 H ASN 89 14.487 -3.128 -4.250 693 HA ASN 89 HA ASN 89 14.971 -1.323 -1.992 694 HB2 ASN 89 2HB ASN 89 13.299 0.117 -2.876 695 HB3 ASN 89 3HB ASN 89 14.151 -0.503 -4.281 696 HD21 ASN 89 1HD2 ASN 89 11.124 -0.324 -2.641 697 HD22 ASN 89 2HD2 ASN 89 10.191 -1.159 -3.834 698 H PHE 90 H PHE 90 14.131 -4.238 -1.760 699 HA PHE 90 HA PHE 90 11.612 -4.566 -0.650 700 HB2 PHE 90 2HB PHE 90 12.965 -6.484 -1.204 701 HB3 PHE 90 3HB PHE 90 14.255 -5.977 -0.118 702 HD1 PHE 90 HD2 PHE 90 10.665 -7.048 -0.114 703 HD2 PHE 90 HD1 PHE 90 14.331 -6.855 2.076 704 HE1 PHE 90 HE2 PHE 90 9.661 -8.374 1.699 705 HE2 PHE 90 HE1 PHE 90 13.314 -8.173 3.887 706 HZ PHE 90 HZ PHE 90 10.980 -8.930 3.693 707 H LEU 91 H LEU 91 14.578 -3.341 0.832 708 HA LEU 91 HA LEU 91 13.461 -3.299 3.519 709 HB2 LEU 91 2HB LEU 91 16.115 -2.275 2.432 710 HB3 LEU 91 3HB LEU 91 15.647 -2.192 4.121 711 HG LEU 91 HG LEU 91 17.087 -4.061 3.998 712 HD11 LEU 91 1HD1 LEU 91 14.268 -5.193 3.887 713 HD12 LEU 91 2HD1 LEU 91 15.086 -4.552 5.316 714 HD13 LEU 91 3HD1 LEU 91 15.688 -6.018 4.546 715 HD21 LEU 91 3HD2 LEU 91 15.589 -5.086 1.558 716 HD22 LEU 91 1HD2 LEU 91 16.957 -5.873 2.351 717 HD23 LEU 91 2HD2 LEU 91 17.179 -4.320 1.551 718 H ASP 92 H ASP 92 13.420 -1.235 0.815 719 HA ASP 92 HA ASP 92 12.999 1.245 2.308 720 HB2 ASP 92 2HB ASP 92 12.911 0.732 -0.708 721 HB3 ASP 92 3HB ASP 92 12.859 2.309 0.074 722 H LYS 93 H LYS 93 11.003 1.673 3.085 723 HA LYS 93 HA LYS 93 8.597 0.425 2.011 724 HB2 LYS 93 2HB LYS 93 7.423 1.487 3.851 725 HB3 LYS 93 3HB LYS 93 8.908 0.775 4.471 726 HG2 LYS 93 2HG LYS 93 9.974 2.990 4.530 727 HG3 LYS 93 3HG LYS 93 8.522 3.726 3.847 728 HD2 LYS 93 2HD LYS 93 7.250 2.916 5.883 729 HD3 LYS 93 3HD LYS 93 8.792 2.389 6.563 730 HE2 LYS 93 2HE LYS 93 9.618 4.733 6.464 731 HE3 LYS 93 3HE LYS 93 8.052 5.239 5.819 732 HZ1 LYS 93 3HZ LYS 93 7.016 4.448 7.873 733 HZ2 LYS 93 1HZ LYS 93 8.171 5.640 8.177 734 HZ3 LYS 93 2HZ LYS 93 8.531 4.020 8.481 735 H GLN 94 H GLN 94 6.797 1.637 1.216 736 HA GLN 94 HA GLN 94 7.268 4.339 0.176 737 HB2 GLN 94 2HB GLN 94 6.565 3.644 -2.121 738 HB3 GLN 94 3HB GLN 94 8.088 2.923 -1.632 739 HG2 GLN 94 2HG GLN 94 5.453 1.451 -1.465 740 HG3 GLN 94 3HG GLN 94 6.482 1.430 -2.899 741 HE21 GLN 94 1HE2 GLN 94 8.505 0.330 -2.779 742 HE22 GLN 94 2HE2 GLN 94 8.826 -0.841 -1.552 743 H ASN 95 H ASN 95 5.592 2.945 2.196 744 HA ASN 95 HA ASN 95 2.878 2.888 1.414 745 HB2 ASN 95 2HB ASN 95 2.402 2.895 3.849 746 HB3 ASN 95 3HB ASN 95 3.635 1.721 3.417 747 HD21 ASN 95 1HD2 ASN 95 2.974 3.178 5.972 748 HD22 ASN 95 2HD2 ASN 95 4.484 3.848 6.482 749 H ARG 96 H ARG 96 1.726 4.581 0.715 750 HA ARG 96 HA ARG 96 2.448 7.325 1.330 751 HB2 ARG 96 2HB ARG 96 0.055 6.315 -0.283 752 HB3 ARG 96 3HB ARG 96 0.643 7.972 -0.215 753 HG2 ARG 96 2HG ARG 96 2.818 7.109 -1.243 754 HG3 ARG 96 3HG ARG 96 1.972 5.587 -1.522 755 HD2 ARG 96 2HD ARG 96 1.232 8.307 -2.648 756 HD3 ARG 96 3HD ARG 96 1.902 6.946 -3.544 757 HE ARG 96 HE ARG 96 -0.831 7.097 -2.404 758 HH11 ARG 96 1HH1 ARG 96 1.404 5.630 -4.685 759 HH12 ARG 96 2HH1 ARG 96 0.175 4.744 -5.512 760 HH21 ARG 96 2HH2 ARG 96 -2.449 5.927 -3.498 761 HH22 ARG 96 1HH2 ARG 96 -2.017 4.912 -4.839 762 H GLU 97 H GLU 97 0.859 8.849 2.012 763 HA GLU 97 HA GLU 97 -1.420 7.877 3.628 764 HB2 GLU 97 2HB GLU 97 0.453 8.623 5.109 765 HB3 GLU 97 3HB GLU 97 0.477 10.188 4.319 766 HG2 GLU 97 2HG GLU 97 -2.042 9.230 5.687 767 HG3 GLU 97 3HG GLU 97 -0.710 9.864 6.641 768 H GLU 98 H GLU 98 -3.269 8.765 2.880 769 HA GLU 98 HA GLU 98 -3.115 11.064 1.023 770 HB2 GLU 98 2HB GLU 98 -4.689 8.491 0.526 771 HB3 GLU 98 3HB GLU 98 -4.726 9.929 -0.493 772 HG2 GLU 98 2HG GLU 98 -2.235 9.606 -0.868 773 HG3 GLU 98 3HG GLU 98 -2.383 8.064 -0.036 774 H THR 99 H THR 99 -4.437 12.622 1.577 775 HA THR 99 HA THR 99 -6.860 12.133 3.182 776 HB THR 99 HB THR 99 -5.725 14.852 2.341 777 HG1 THR 99 HG1 THR 99 -4.097 14.379 3.600 778 HG21 THR 99 3HG2 THR 99 -8.047 14.822 3.251 779 HG22 THR 99 1HG2 THR 99 -6.937 15.664 4.321 780 HG23 THR 99 2HG2 THR 99 -7.453 14.022 4.711 781 H VAL 100 H VAL 100 -8.785 11.960 2.053 782 HA VAL 100 HA VAL 100 -9.034 13.355 -0.551 783 HB VAL 100 HB VAL 100 -10.921 12.092 -1.065 784 HG11 VAL 100 1HG1 VAL 100 -10.431 9.711 -0.608 785 HG12 VAL 100 2HG1 VAL 100 -9.304 10.183 0.667 786 HG13 VAL 100 3HG1 VAL 100 -8.970 10.619 -1.007 787 HG21 VAL 100 3HG2 VAL 100 -11.378 11.413 1.859 788 HG22 VAL 100 1HG2 VAL 100 -12.353 10.827 0.504 789 HG23 VAL 100 2HG2 VAL 100 -12.311 12.546 0.883 790 H ILE 101 H ILE 101 -10.411 15.152 -0.777 791 HA ILE 101 HA ILE 101 -11.113 16.454 1.799 792 HB ILE 101 HB ILE 101 -10.440 17.757 -0.882 793 HG12 ILE 101 2HG1 ILE 101 -8.436 16.779 0.164 794 HG13 ILE 101 3HG1 ILE 101 -8.360 18.532 0.256 795 HG21 ILE 101 1HG2 ILE 101 -11.029 19.051 1.814 796 HG22 ILE 101 2HG2 ILE 101 -12.036 19.132 0.366 797 HG23 ILE 101 3HG2 ILE 101 -10.449 19.897 0.374 798 HD11 ILE 101 3HD1 ILE 101 -9.049 18.409 2.624 799 HD12 ILE 101 1HD1 ILE 101 -7.552 17.536 2.303 800 HD13 ILE 101 2HD1 ILE 101 -9.062 16.648 2.511 801 H TYR 102 H TYR 102 -13.239 16.326 2.232 802 HA TYR 102 HA TYR 102 -15.270 16.311 0.140 803 HB2 TYR 102 2HB TYR 102 -15.420 16.115 3.180 804 HB3 TYR 102 3HB TYR 102 -16.852 16.244 2.168 805 HD1 TYR 102 HD1 TYR 102 -14.034 14.048 3.141 806 HD2 TYR 102 HD2 TYR 102 -17.640 14.358 0.863 807 HE1 TYR 102 HE1 TYR 102 -14.090 11.614 2.883 808 HE2 TYR 102 HE2 TYR 102 -17.682 11.916 0.612 809 HH TYR 102 HH TYR 102 -16.376 10.021 0.818 810 H SER 103 H SER 103 -15.474 18.324 -0.768 811 HA SER 103 HA SER 103 -15.841 20.661 0.975 812 HB2 SER 103 2HB SER 103 -16.049 21.907 -1.172 813 HB3 SER 103 3HB SER 103 -14.543 20.995 -1.106 814 HG SER 103 HG SER 103 -16.917 20.195 -2.442 815 H ALA 104 H ALA 104 -17.890 21.953 0.398 816 HA ALA 104 HA ALA 104 -20.313 20.602 0.605 817 HB1 ALA 104 3HB ALA 104 -21.400 22.632 -0.256 818 HB2 ALA 104 1HB ALA 104 -19.844 23.228 -0.833 819 HB3 ALA 104 2HB ALA 104 -20.125 23.029 0.899 820 H ASN 105 H ASN 105 -22.003 20.265 -1.021 821 HA ASN 105 HA ASN 105 -21.250 18.215 -2.684 822 HB2 ASN 105 2HB ASN 105 -23.554 18.745 -1.711 823 HB3 ASN 105 3HB ASN 105 -23.782 19.844 -3.061 824 HD21 ASN 105 1HD2 ASN 105 -23.187 16.471 -2.241 825 HD22 ASN 105 2HD2 ASN 105 -23.977 15.818 -3.627 826 H THR 106 H THR 106 -21.608 17.916 -5.016 827 HA THR 106 HA THR 106 -19.864 19.235 -6.628 828 HB THR 106 HB THR 106 -20.816 17.055 -7.195 829 HG1 THR 106 HG1 THR 106 -21.418 18.911 -9.281 830 HG21 THR 106 3HG2 THR 106 -23.155 17.499 -6.496 831 HG22 THR 106 1HG2 THR 106 -23.069 16.795 -8.113 832 HG23 THR 106 2HG2 THR 106 -23.378 18.525 -7.919 833 H ILE 107 H ILE 107 -23.094 20.321 -5.910 834 HA ILE 107 HA ILE 107 -23.686 22.037 -8.024 835 HB ILE 107 HB ILE 107 -24.356 22.412 -5.069 836 HG12 ILE 107 2HG1 ILE 107 -25.068 20.199 -5.827 837 HG13 ILE 107 3HG1 ILE 107 -26.479 21.218 -5.590 838 HG21 ILE 107 1HG2 ILE 107 -26.307 23.717 -5.817 839 HG22 ILE 107 2HG2 ILE 107 -25.779 23.567 -7.495 840 HG23 ILE 107 3HG2 ILE 107 -24.796 24.470 -6.338 841 HD11 ILE 107 3HD1 ILE 107 -26.729 19.826 -7.554 842 HD12 ILE 107 1HD1 ILE 107 -25.244 20.475 -8.248 843 HD13 ILE 107 2HD1 ILE 107 -26.650 21.521 -8.031 844 H THR 108 H THR 108 -21.785 22.744 -5.032 845 HA THR 108 HA THR 108 -21.255 25.479 -5.775 846 HB THR 108 HB THR 108 -21.248 24.668 -3.381 847 HG1 THR 108 HG1 THR 108 -18.707 25.789 -3.880 848 HG21 THR 108 3HG2 THR 108 -19.225 23.612 -2.467 849 HG22 THR 108 1HG2 THR 108 -18.529 23.514 -4.088 850 HG23 THR 108 2HG2 THR 108 -19.962 22.572 -3.685 851 H GLN 109 H GLN 109 -19.731 22.418 -6.432 852 HA GLN 109 HA GLN 109 -17.106 23.412 -7.049 853 HB2 GLN 109 2HB GLN 109 -18.407 20.715 -7.603 854 HB3 GLN 109 3HB GLN 109 -16.714 21.084 -7.924 855 HG2 GLN 109 2HG GLN 109 -16.363 21.504 -5.499 856 HG3 GLN 109 3HG GLN 109 -18.052 21.092 -5.204 857 HE21 GLN 109 1HE2 GLN 109 -15.957 19.380 -7.496 858 HE22 GLN 109 2HE2 GLN 109 -15.904 17.902 -6.609 859 H ASN 110 H ASN 110 -16.401 24.199 -8.891 860 HA ASN 110 HA ASN 110 -18.044 24.696 -11.171 861 HB2 ASN 110 2HB ASN 110 -15.036 25.083 -10.806 862 HB3 ASN 110 3HB ASN 110 -15.993 25.751 -12.125 863 HD21 ASN 110 1HD2 ASN 110 -15.167 26.043 -8.767 864 HD22 ASN 110 2HD2 ASN 110 -15.941 27.560 -8.487 865 H LYS 111 H LYS 111 -17.081 24.283 -13.415 866 HA LYS 111 HA LYS 111 -16.798 21.396 -13.780 867 HB2 LYS 111 2HB LYS 111 -17.141 23.629 -15.831 868 HB3 LYS 111 3HB LYS 111 -17.076 21.913 -16.202 869 HG2 LYS 111 2HG LYS 111 -19.373 22.496 -16.263 870 HG3 LYS 111 3HG LYS 111 -19.141 21.614 -14.755 871 HD2 LYS 111 2HD LYS 111 -19.057 23.784 -13.530 872 HD3 LYS 111 3HD LYS 111 -19.354 24.634 -15.050 873 HE2 LYS 111 2HE LYS 111 -21.539 23.462 -15.257 874 HE3 LYS 111 3HE LYS 111 -21.240 22.654 -13.715 875 HZ1 LYS 111 3HZ LYS 111 -21.256 24.770 -12.604 876 HZ2 LYS 111 1HZ LYS 111 -22.673 24.619 -13.515 877 HZ3 LYS 111 2HZ LYS 111 -21.412 25.600 -14.069 878 H LYS 112 H LYS 112 -14.762 21.065 -13.046 879 HA LYS 112 HA LYS 112 -12.423 22.369 -14.339 880 HB2 LYS 112 2HB LYS 112 -12.535 20.694 -11.778 881 HB3 LYS 112 3HB LYS 112 -11.153 21.602 -12.388 882 HG2 LYS 112 2HG LYS 112 -12.475 23.711 -12.074 883 HG3 LYS 112 3HG LYS 112 -13.745 22.720 -11.347 884 HD2 LYS 112 2HD LYS 112 -12.362 23.742 -9.596 885 HD3 LYS 112 3HD LYS 112 -12.179 21.988 -9.575 886 HE2 LYS 112 2HE LYS 112 -10.007 22.993 -9.272 887 HE3 LYS 112 3HE LYS 112 -10.047 22.255 -10.869 888 HZ1 LYS 112 3HZ LYS 112 -10.307 25.143 -10.224 889 HZ2 LYS 112 1HZ LYS 112 -10.542 24.495 -11.773 890 HZ3 LYS 112 2HZ LYS 112 -9.030 24.391 -11.034 891 H ASP 113 H ASP 113 -14.040 19.417 -13.673 892 HA ASP 113 HA ASP 113 -11.836 17.640 -14.228 893 HB2 ASP 113 2HB ASP 113 -14.758 16.930 -13.863 894 HB3 ASP 113 3HB ASP 113 -13.361 15.884 -13.653 895 H GLY 114 H GLY 114 -11.595 18.659 -16.361 896 HA2 GLY 114 2HA GLY 114 -12.935 17.055 -18.477 897 HA3 GLY 114 3HA GLY 114 -12.260 18.664 -18.737 898 H LEU 115 H LEU 115 -10.379 16.992 -16.568 899 HA LEU 115 HA LEU 115 -8.142 16.708 -18.372 900 HB2 LEU 115 2HB LEU 115 -8.369 15.829 -15.456 901 HB3 LEU 115 3HB LEU 115 -6.888 16.146 -16.348 902 HG LEU 115 HG LEU 115 -8.941 18.277 -15.649 903 HD11 LEU 115 1HD1 LEU 115 -6.363 17.624 -14.188 904 HD12 LEU 115 2HD1 LEU 115 -8.003 17.377 -13.587 905 HD13 LEU 115 3HD1 LEU 115 -7.411 19.011 -13.871 906 HD21 LEU 115 3HD2 LEU 115 -7.588 18.867 -17.594 907 HD22 LEU 115 1HD2 LEU 115 -6.103 18.532 -16.698 908 HD23 LEU 115 2HD2 LEU 115 -7.148 19.870 -16.216 909 H GLU 116 H GLU 116 -9.494 14.521 -15.947 910 HA GLU 116 HA GLU 116 -9.865 12.340 -15.725 911 HB2 GLU 116 2HB GLU 116 -10.702 12.596 -18.648 912 HB3 GLU 116 3HB GLU 116 -11.096 11.230 -17.604 913 HG2 GLU 116 2HG GLU 116 -12.391 12.694 -16.128 914 HG3 GLU 116 3HG GLU 116 -11.937 14.089 -17.098 915 H HIS 117 H HIS 117 -8.130 11.135 -15.319 916 HA HIS 117 HA HIS 117 -5.907 10.654 -16.929 917 HB2 HIS 117 2HB HIS 117 -5.224 9.002 -15.355 918 HB3 HIS 117 3HB HIS 117 -6.134 10.179 -14.419 919 HD1 HIS 117 HD1 HIS 117 -5.840 6.622 -14.968 920 HD2 HIS 117 HD2 HIS 117 -8.930 9.192 -13.889 921 HE1 HIS 117 HE1 HIS 117 -7.591 5.162 -13.912 922 HE2 HIS 117 HE2 HIS 117 -9.420 6.740 -13.215 923 H HIS 118 H HIS 118 -5.239 8.665 -18.051 924 HA HIS 118 HA HIS 118 -7.142 7.776 -19.939 925 HB2 HIS 118 2HB HIS 118 -4.419 6.568 -19.303 926 HB3 HIS 118 3HB HIS 118 -5.386 6.191 -20.724 927 HD1 HIS 118 HD1 HIS 118 -2.874 8.545 -19.483 928 HD2 HIS 118 HD2 HIS 118 -5.676 8.462 -22.552 929 HE1 HIS 118 HE1 HIS 118 -2.181 10.362 -21.071 930 HE2 HIS 118 HE2 HIS 118 -3.963 10.377 -22.847 931 H HIS 119 H HIS 119 -8.884 6.966 -18.812 932 HA HIS 119 HA HIS 119 -8.679 4.602 -17.129 933 HB2 HIS 119 2HB HIS 119 -10.309 6.299 -16.507 934 HB3 HIS 119 3HB HIS 119 -11.050 6.255 -18.097 935 HD1 HIS 119 HD1 HIS 119 -10.695 4.071 -14.995 936 HD2 HIS 119 HD2 HIS 119 -13.177 4.543 -18.302 937 HE1 HIS 119 HE1 HIS 119 -12.677 2.576 -14.579 938 HE2 HIS 119 HE2 HIS 119 -14.065 2.746 -16.670 939 H HIS 120 H HIS 120 -7.540 3.579 -18.975 940 HA HIS 120 HA HIS 120 -9.017 2.455 -21.151 941 HB2 HIS 120 2HB HIS 120 -6.989 0.796 -21.163 942 HB3 HIS 120 3HB HIS 120 -6.687 2.485 -21.521 943 HD1 HIS 120 HD1 HIS 120 -5.047 3.708 -20.051 944 HD2 HIS 120 HD2 HIS 120 -6.045 -0.023 -18.507 945 HE1 HIS 120 HE1 HIS 120 -3.445 3.314 -18.154 946 HE2 HIS 120 HE2 HIS 120 -4.089 1.076 -17.221 947 H HIS 121 H HIS 121 -8.015 1.323 -18.012 948 HA HIS 121 HA HIS 121 -10.306 -0.317 -17.535 949 HB2 HIS 121 2HB HIS 121 -7.572 -1.605 -17.988 950 HB3 HIS 121 3HB HIS 121 -8.740 -2.334 -16.892 951 HD1 HIS 121 HD1 HIS 121 -11.008 -3.168 -18.004 952 HD2 HIS 121 HD2 HIS 121 -7.999 -2.130 -20.676 953 HE1 HIS 121 HE1 HIS 121 -11.656 -4.225 -20.185 954 HE2 HIS 121 HE2 HIS 121 -9.913 -3.443 -21.822 955 H HIS 122 H HIS 122 -10.749 0.522 -15.571 956 HA HIS 122 HA HIS 122 -10.531 2.016 -13.900 957 HB2 HIS 122 2HB HIS 122 -9.184 1.141 -11.917 958 HB3 HIS 122 3HB HIS 122 -10.451 0.095 -12.547 959 HD1 HIS 122 HD1 HIS 122 -9.712 -2.104 -13.641 960 HD2 HIS 122 HD2 HIS 122 -6.550 0.146 -12.159 961 HE1 HIS 122 HE1 HIS 122 -7.758 -3.670 -13.579 962 HE2 HIS 122 HE2 HIS 122 -5.821 -2.243 -12.857 Start of MODEL 7 1 H1 MET 1 1H MET 1 21.728 -29.303 3.353 2 H2 MET 1 2H MET 1 21.755 -27.687 3.858 3 H3 MET 1 3H MET 1 21.666 -28.055 2.213 4 HA MET 1 HA MET 1 19.505 -28.989 2.453 5 HB2 MET 1 2HB MET 1 19.839 -29.865 4.773 6 HB3 MET 1 3HB MET 1 19.755 -28.227 5.401 7 HG2 MET 1 2HG MET 1 17.415 -28.055 4.648 8 HG3 MET 1 3HG MET 1 17.504 -29.690 3.997 9 HE1 MET 1 3HE MET 1 17.719 -31.885 5.511 10 HE2 MET 1 1HE MET 1 17.861 -31.843 7.271 11 HE3 MET 1 2HE MET 1 19.179 -31.242 6.267 12 H ILE 2 H ILE 2 17.911 -27.601 1.803 13 HA ILE 2 HA ILE 2 18.263 -24.698 2.309 14 HB ILE 2 HB ILE 2 16.776 -26.083 0.010 15 HG12 ILE 2 2HG1 ILE 2 19.269 -26.408 -0.123 16 HG13 ILE 2 3HG1 ILE 2 18.629 -25.462 -1.459 17 HG21 ILE 2 1HG2 ILE 2 17.433 -23.140 0.441 18 HG22 ILE 2 2HG2 ILE 2 15.833 -23.886 0.493 19 HG23 ILE 2 3HG2 ILE 2 16.725 -23.826 -1.024 20 HD11 ILE 2 3HD1 ILE 2 19.460 -23.413 -0.427 21 HD12 ILE 2 1HD1 ILE 2 20.752 -24.593 -0.645 22 HD13 ILE 2 2HD1 ILE 2 20.057 -24.341 0.954 23 H GLU 3 H GLU 3 16.431 -23.476 2.969 24 HA GLU 3 HA GLU 3 13.894 -24.939 3.458 25 HB2 GLU 3 2HB GLU 3 13.485 -23.546 5.444 26 HB3 GLU 3 3HB GLU 3 14.971 -24.463 5.637 27 HG2 GLU 3 2HG GLU 3 16.329 -22.535 5.345 28 HG3 GLU 3 3HG GLU 3 14.985 -21.584 4.715 29 HA PRO 4 HA PRO 4 12.333 -21.582 0.805 30 HB2 PRO 4 2HB PRO 4 9.592 -22.319 1.752 31 HB3 PRO 4 3HB PRO 4 10.283 -22.411 0.117 32 HG2 PRO 4 2HG PRO 4 9.766 -24.632 1.526 33 HG3 PRO 4 3HG PRO 4 11.173 -24.528 0.443 34 HD2 PRO 4 2HD PRO 4 11.087 -24.219 3.454 35 HD3 PRO 4 3HD PRO 4 12.219 -25.153 2.439 36 H ILE 5 H ILE 5 12.186 -19.447 1.328 37 HA ILE 5 HA ILE 5 11.161 -18.636 3.982 38 HB ILE 5 HB ILE 5 13.003 -16.919 4.118 39 HG12 ILE 5 2HG1 ILE 5 14.406 -18.536 1.945 40 HG13 ILE 5 3HG1 ILE 5 13.593 -17.010 1.640 41 HG21 ILE 5 1HG2 ILE 5 13.126 -18.949 5.444 42 HG22 ILE 5 2HG2 ILE 5 14.751 -18.476 4.927 43 HG23 ILE 5 3HG2 ILE 5 13.917 -19.810 4.120 44 HD11 ILE 5 3HD1 ILE 5 15.946 -17.383 3.480 45 HD12 ILE 5 1HD1 ILE 5 15.144 -15.862 3.084 46 HD13 ILE 5 2HD1 ILE 5 15.997 -16.761 1.832 47 H LYS 6 H LYS 6 10.025 -16.825 3.955 48 HA LYS 6 HA LYS 6 9.852 -15.160 1.552 49 HB2 LYS 6 2HB LYS 6 7.484 -16.672 2.718 50 HB3 LYS 6 3HB LYS 6 7.312 -15.279 1.700 51 HG2 LYS 6 2HG LYS 6 6.956 -16.990 0.237 52 HG3 LYS 6 3HG LYS 6 8.637 -16.622 -0.033 53 HD2 LYS 6 2HD LYS 6 9.090 -18.556 1.692 54 HD3 LYS 6 3HD LYS 6 7.405 -18.984 1.432 55 HE2 LYS 6 2HE LYS 6 9.594 -18.909 -0.664 56 HE3 LYS 6 3HE LYS 6 8.851 -20.352 0.023 57 HZ1 LYS 6 3HZ LYS 6 7.916 -19.910 -2.107 58 HZ2 LYS 6 1HZ LYS 6 7.524 -18.324 -1.684 59 HZ3 LYS 6 2HZ LYS 6 6.730 -19.620 -0.943 60 H ARG 7 H ARG 7 9.577 -13.076 2.084 61 HA ARG 7 HA ARG 7 8.840 -12.396 4.880 62 HB2 ARG 7 2HB ARG 7 11.239 -11.867 4.057 63 HB3 ARG 7 3HB ARG 7 10.512 -10.639 3.020 64 HG2 ARG 7 2HG ARG 7 9.677 -9.419 4.949 65 HG3 ARG 7 3HG ARG 7 10.171 -10.716 6.042 66 HD2 ARG 7 2HD ARG 7 11.972 -8.861 4.456 67 HD3 ARG 7 3HD ARG 7 11.798 -8.947 6.210 68 HE ARG 7 HE ARG 7 12.657 -11.424 5.668 69 HH11 ARG 7 2HH1 ARG 7 13.931 -8.322 4.564 70 HH12 ARG 7 1HH1 ARG 7 15.555 -8.914 4.415 71 HH21 ARG 7 2HH2 ARG 7 14.798 -12.185 5.429 72 HH22 ARG 7 1HH2 ARG 7 16.045 -11.105 4.906 73 H THR 8 H THR 8 7.254 -10.788 5.139 74 HA THR 8 HA THR 8 5.433 -10.675 2.831 75 HB THR 8 HB THR 8 4.846 -10.370 5.833 76 HG1 THR 8 HG1 THR 8 5.588 -12.481 5.393 77 HG21 THR 8 3HG2 THR 8 3.097 -9.399 4.361 78 HG22 THR 8 1HG2 THR 8 2.515 -10.823 5.215 79 HG23 THR 8 2HG2 THR 8 2.960 -10.941 3.510 80 H GLN 9 H GLN 9 5.761 -8.757 1.810 81 HA GLN 9 HA GLN 9 6.153 -6.273 3.347 82 HB2 GLN 9 2HB GLN 9 7.773 -6.690 1.545 83 HB3 GLN 9 3HB GLN 9 6.483 -6.890 0.367 84 HG2 GLN 9 2HG GLN 9 7.629 -4.710 0.177 85 HG3 GLN 9 3HG GLN 9 5.916 -4.530 0.528 86 HE21 GLN 9 1HE2 GLN 9 9.137 -4.356 1.899 87 HE22 GLN 9 2HE2 GLN 9 8.744 -3.291 3.197 88 H VAL 10 H VAL 10 4.025 -6.012 4.089 89 HA VAL 10 HA VAL 10 1.895 -5.793 2.090 90 HB VAL 10 HB VAL 10 0.343 -5.389 3.910 91 HG11 VAL 10 1HG1 VAL 10 2.240 -7.646 4.648 92 HG12 VAL 10 2HG1 VAL 10 0.939 -7.718 3.458 93 HG13 VAL 10 3HG1 VAL 10 0.555 -7.499 5.164 94 HG21 VAL 10 3HG2 VAL 10 1.004 -5.350 6.306 95 HG22 VAL 10 1HG2 VAL 10 1.656 -3.976 5.410 96 HG23 VAL 10 2HG2 VAL 10 2.706 -5.329 5.829 97 H VAL 11 H VAL 11 1.647 -3.947 0.988 98 HA VAL 11 HA VAL 11 3.009 -1.528 1.940 99 HB VAL 11 HB VAL 11 1.590 -2.063 -0.716 100 HG11 VAL 11 1HG1 VAL 11 1.417 0.322 -0.112 101 HG12 VAL 11 2HG1 VAL 11 2.535 0.101 -1.456 102 HG13 VAL 11 3HG1 VAL 11 3.159 0.396 0.168 103 HG21 VAL 11 3HG2 VAL 11 3.876 -2.037 -1.656 104 HG22 VAL 11 1HG2 VAL 11 3.704 -3.303 -0.440 105 HG23 VAL 11 2HG2 VAL 11 4.548 -1.805 -0.041 106 H THR 12 H THR 12 1.965 -0.362 3.292 107 HA THR 12 HA THR 12 -0.924 -0.634 3.630 108 HB THR 12 HB THR 12 1.208 0.566 5.467 109 HG1 THR 12 HG1 THR 12 0.864 -1.928 4.861 110 HG21 THR 12 3HG2 THR 12 -0.491 0.352 7.253 111 HG22 THR 12 1HG2 THR 12 -1.683 -0.194 6.064 112 HG23 THR 12 2HG2 THR 12 -1.044 1.451 5.992 113 H GLN 13 H GLN 13 -1.926 0.800 2.342 114 HA GLN 13 HA GLN 13 -1.247 3.668 2.466 115 HB2 GLN 13 2HB GLN 13 -1.592 2.569 0.219 116 HB3 GLN 13 3HB GLN 13 -3.252 2.212 0.677 117 HG2 GLN 13 2HG GLN 13 -3.658 4.673 0.909 118 HG3 GLN 13 3HG GLN 13 -2.020 4.962 0.329 119 HE21 GLN 13 1HE2 GLN 13 -2.124 2.819 -1.693 120 HE22 GLN 13 2HE2 GLN 13 -3.141 3.416 -2.949 121 H THR 14 H THR 14 -2.180 4.586 4.250 122 HA THR 14 HA THR 14 -4.726 3.464 5.304 123 HB THR 14 HB THR 14 -2.745 5.442 6.518 124 HG1 THR 14 HG1 THR 14 -2.088 3.217 6.377 125 HG21 THR 14 3HG2 THR 14 -4.989 5.914 7.412 126 HG22 THR 14 1HG2 THR 14 -3.986 5.146 8.640 127 HG23 THR 14 2HG2 THR 14 -5.218 4.209 7.795 128 H ILE 15 H ILE 15 -6.518 4.348 4.347 129 HA ILE 15 HA ILE 15 -6.453 7.105 3.421 130 HB ILE 15 HB ILE 15 -8.567 4.945 3.107 131 HG12 ILE 15 2HG1 ILE 15 -8.145 5.375 0.668 132 HG13 ILE 15 3HG1 ILE 15 -6.903 6.537 1.099 133 HG21 ILE 15 1HG2 ILE 15 -8.854 7.866 2.299 134 HG22 ILE 15 2HG2 ILE 15 -9.821 7.011 3.502 135 HG23 ILE 15 3HG2 ILE 15 -9.938 6.561 1.804 136 HD11 ILE 15 3HD1 ILE 15 -6.004 4.401 0.375 137 HD12 ILE 15 1HD1 ILE 15 -6.827 3.590 1.708 138 HD13 ILE 15 2HD1 ILE 15 -5.552 4.770 2.039 139 H HIS 16 H HIS 16 -7.127 8.776 4.471 140 HA HIS 16 HA HIS 16 -8.897 8.515 6.833 141 HB2 HIS 16 2HB HIS 16 -6.916 10.741 6.142 142 HB3 HIS 16 3HB HIS 16 -7.942 10.688 7.572 143 HD1 HIS 16 HD1 HIS 16 -6.898 9.688 9.592 144 HD2 HIS 16 HD2 HIS 16 -4.929 8.546 6.129 145 HE1 HIS 16 HE1 HIS 16 -4.912 8.385 10.364 146 HE2 HIS 16 HE2 HIS 16 -3.654 7.844 8.267 147 H TYR 17 H TYR 17 -10.935 8.905 6.068 148 HA TYR 17 HA TYR 17 -11.537 10.903 4.079 149 HB2 TYR 17 2HB TYR 17 -13.363 9.423 6.040 150 HB3 TYR 17 3HB TYR 17 -13.885 10.344 4.635 151 HD1 TYR 17 HD2 TYR 17 -12.464 9.478 2.375 152 HD2 TYR 17 HD1 TYR 17 -13.586 7.105 5.731 153 HE1 TYR 17 HE2 TYR 17 -12.388 7.470 0.973 154 HE2 TYR 17 HE1 TYR 17 -13.508 5.090 4.333 155 HH TYR 17 HH TYR 17 -12.284 5.151 1.063 156 H ARG 18 H ARG 18 -11.347 13.022 4.615 157 HA ARG 18 HA ARG 18 -12.551 13.991 7.149 158 HB2 ARG 18 2HB ARG 18 -9.867 14.985 6.077 159 HB3 ARG 18 3HB ARG 18 -10.752 15.653 7.443 160 HG2 ARG 18 2HG ARG 18 -10.481 13.416 8.594 161 HG3 ARG 18 3HG ARG 18 -9.390 12.964 7.278 162 HD2 ARG 18 2HD ARG 18 -9.053 15.238 9.247 163 HD3 ARG 18 3HD ARG 18 -8.056 13.786 9.106 164 HE ARG 18 HE ARG 18 -7.976 15.131 6.654 165 HH11 ARG 18 1HH1 ARG 18 -6.831 15.681 9.946 166 HH12 ARG 18 2HH1 ARG 18 -5.490 16.659 9.432 167 HH21 ARG 18 1HH2 ARG 18 -6.227 16.367 5.996 168 HH22 ARG 18 2HH2 ARG 18 -5.151 17.051 7.173 169 H TYR 19 H TYR 19 -13.095 16.247 7.094 170 HA TYR 19 HA TYR 19 -13.996 17.170 4.459 171 HB2 TYR 19 2HB TYR 19 -14.636 18.257 7.252 172 HB3 TYR 19 3HB TYR 19 -15.434 18.715 5.746 173 HD1 TYR 19 HD2 TYR 19 -14.897 15.888 8.101 174 HD2 TYR 19 HD1 TYR 19 -17.279 17.394 4.898 175 HE1 TYR 19 HE2 TYR 19 -16.492 14.071 8.447 176 HE2 TYR 19 HE1 TYR 19 -18.885 15.567 5.245 177 HH TYR 19 HH TYR 19 -18.835 13.545 8.002 178 H GLU 20 H GLU 20 -13.889 19.626 4.157 179 HA GLU 20 HA GLU 20 -11.181 20.471 4.096 180 HB2 GLU 20 2HB GLU 20 -12.036 22.560 3.114 181 HB3 GLU 20 3HB GLU 20 -12.790 21.153 2.370 182 HG2 GLU 20 2HG GLU 20 -14.853 21.515 3.546 183 HG3 GLU 20 3HG GLU 20 -14.118 22.739 4.585 184 H ASP 21 H ASP 21 -13.751 20.958 6.357 185 HA ASP 21 HA ASP 21 -12.869 23.355 7.637 186 HB2 ASP 21 2HB ASP 21 -14.693 21.162 8.719 187 HB3 ASP 21 3HB ASP 21 -14.603 22.820 9.305 188 H GLY 22 H GLY 22 -11.789 20.086 7.806 189 HA2 GLY 22 2HA GLY 22 -9.800 19.501 9.053 190 HA3 GLY 22 3HA GLY 22 -10.295 20.606 10.327 191 H ALA 23 H ALA 23 -13.138 19.366 9.726 192 HA ALA 23 HA ALA 23 -13.255 17.578 11.900 193 HB1 ALA 23 3HB ALA 23 -15.225 17.873 9.595 194 HB2 ALA 23 1HB ALA 23 -15.235 18.810 11.093 195 HB3 ALA 23 2HB ALA 23 -15.550 17.075 11.137 196 H VAL 24 H VAL 24 -13.181 15.309 12.024 197 HA VAL 24 HA VAL 24 -12.078 13.919 9.652 198 HB VAL 24 HB VAL 24 -12.117 12.900 12.541 199 HG11 VAL 24 1HG1 VAL 24 -11.840 11.141 10.845 200 HG12 VAL 24 2HG1 VAL 24 -10.354 11.357 11.767 201 HG13 VAL 24 3HG1 VAL 24 -10.478 12.012 10.133 202 HG21 VAL 24 3HG2 VAL 24 -10.847 15.002 12.464 203 HG22 VAL 24 1HG2 VAL 24 -9.872 14.394 11.124 204 HG23 VAL 24 2HG2 VAL 24 -9.760 13.637 12.714 205 H ALA 25 H ALA 25 -13.347 12.563 8.547 206 HA ALA 25 HA ALA 25 -15.998 11.792 9.484 207 HB1 ALA 25 3HB ALA 25 -14.561 11.149 6.875 208 HB2 ALA 25 1HB ALA 25 -15.629 12.525 7.148 209 HB3 ALA 25 2HB ALA 25 -16.274 10.884 7.209 210 H HIS 26 H HIS 26 -13.201 9.956 8.173 211 HA HIS 26 HA HIS 26 -13.359 7.895 10.233 212 HB2 HIS 26 2HB HIS 26 -13.791 7.217 7.281 213 HB3 HIS 26 3HB HIS 26 -13.332 6.022 8.484 214 HD1 HIS 26 HD1 HIS 26 -15.166 5.270 10.152 215 HD2 HIS 26 HD2 HIS 26 -16.503 7.909 7.228 216 HE1 HIS 26 HE1 HIS 26 -17.667 5.127 10.209 217 HE2 HIS 26 HE2 HIS 26 -18.461 6.835 8.541 218 H ASP 27 H ASP 27 -11.258 8.067 10.870 219 HA ASP 27 HA ASP 27 -9.089 8.781 9.099 220 HB2 ASP 27 2HB ASP 27 -7.653 8.642 11.069 221 HB3 ASP 27 3HB ASP 27 -9.135 9.486 11.492 222 H ASP 28 H ASP 28 -10.536 5.827 9.984 223 HA ASP 28 HA ASP 28 -8.202 4.209 9.217 224 HB2 ASP 28 2HB ASP 28 -8.895 3.826 11.525 225 HB3 ASP 28 3HB ASP 28 -10.566 3.581 11.037 226 H HIS 29 H HIS 29 -8.607 4.250 6.986 227 HA HIS 29 HA HIS 29 -10.399 2.044 6.267 228 HB2 HIS 29 2HB HIS 29 -11.564 4.260 5.701 229 HB3 HIS 29 3HB HIS 29 -10.289 4.550 4.520 230 HD1 HIS 29 HD1 HIS 29 -13.577 3.103 4.785 231 HD2 HIS 29 HD2 HIS 29 -10.205 2.301 2.517 232 HE1 HIS 29 HE1 HIS 29 -14.398 1.791 2.811 233 HE2 HIS 29 HE2 HIS 29 -12.347 1.377 1.436 234 H VAL 30 H VAL 30 -8.393 0.978 6.416 235 HA VAL 30 HA VAL 30 -6.110 1.932 4.853 236 HB VAL 30 HB VAL 30 -6.288 -0.381 6.854 237 HG11 VAL 30 1HG1 VAL 30 -3.840 -0.147 7.003 238 HG12 VAL 30 2HG1 VAL 30 -3.870 1.109 5.765 239 HG13 VAL 30 3HG1 VAL 30 -4.347 -0.542 5.360 240 HG21 VAL 30 3HG2 VAL 30 -6.953 1.757 7.923 241 HG22 VAL 30 1HG2 VAL 30 -5.443 2.495 7.379 242 HG23 VAL 30 2HG2 VAL 30 -5.406 1.174 8.545 243 H VAL 31 H VAL 31 -5.691 1.085 2.883 244 HA VAL 31 HA VAL 31 -6.413 -1.725 2.277 245 HB VAL 31 HB VAL 31 -7.270 -0.194 0.603 246 HG11 VAL 31 1HG1 VAL 31 -5.904 1.331 -0.741 247 HG12 VAL 31 2HG1 VAL 31 -4.472 0.892 0.197 248 HG13 VAL 31 3HG1 VAL 31 -5.812 1.742 0.975 249 HG21 VAL 31 3HG2 VAL 31 -6.243 -1.052 -1.461 250 HG22 VAL 31 1HG2 VAL 31 -6.414 -2.334 -0.262 251 HG23 VAL 31 2HG2 VAL 31 -4.834 -1.602 -0.548 252 H SER 32 H SER 32 -4.808 -3.106 2.706 253 HA SER 32 HA SER 32 -1.991 -2.355 2.195 254 HB2 SER 32 2HB SER 32 -1.369 -3.898 4.088 255 HB3 SER 32 3HB SER 32 -2.299 -2.499 4.613 256 HG SER 32 HG SER 32 -3.372 -5.091 4.138 257 H LEU 33 H LEU 33 -1.170 -3.506 0.585 258 HA LEU 33 HA LEU 33 -2.514 -6.008 -0.285 259 HB2 LEU 33 2HB LEU 33 -0.553 -4.172 -1.711 260 HB3 LEU 33 3HB LEU 33 -1.171 -5.665 -2.399 261 HG LEU 33 HG LEU 33 -2.894 -3.261 -1.669 262 HD11 LEU 33 1HD1 LEU 33 -1.352 -2.770 -3.518 263 HD12 LEU 33 2HD1 LEU 33 -3.027 -2.814 -4.056 264 HD13 LEU 33 3HD1 LEU 33 -1.956 -4.173 -4.404 265 HD21 LEU 33 3HD2 LEU 33 -4.657 -4.397 -2.969 266 HD22 LEU 33 1HD2 LEU 33 -4.163 -5.348 -1.566 267 HD23 LEU 33 2HD2 LEU 33 -3.605 -5.799 -3.179 268 H ILE 34 H ILE 34 -1.490 -7.938 -0.134 269 HA ILE 34 HA ILE 34 0.966 -8.050 1.454 270 HB ILE 34 HB ILE 34 -0.986 -10.253 0.589 271 HG12 ILE 34 2HG1 ILE 34 -1.455 -10.361 3.123 272 HG13 ILE 34 3HG1 ILE 34 -0.571 -8.852 3.274 273 HG21 ILE 34 1HG2 ILE 34 1.244 -11.241 0.802 274 HG22 ILE 34 2HG2 ILE 34 0.229 -11.768 2.143 275 HG23 ILE 34 3HG2 ILE 34 1.446 -10.518 2.401 276 HD11 ILE 34 3HD1 ILE 34 -3.115 -9.262 1.698 277 HD12 ILE 34 1HD1 ILE 34 -2.245 -7.737 1.879 278 HD13 ILE 34 2HD1 ILE 34 -2.977 -8.507 3.285 279 H PHE 35 H PHE 35 2.794 -7.803 0.200 280 HA PHE 35 HA PHE 35 3.067 -9.259 -2.357 281 HB2 PHE 35 2HB PHE 35 4.853 -7.110 -1.096 282 HB3 PHE 35 3HB PHE 35 5.153 -7.889 -2.646 283 HD1 PHE 35 HD2 PHE 35 2.795 -5.630 -0.842 284 HD2 PHE 35 HD1 PHE 35 4.063 -7.108 -4.638 285 HE1 PHE 35 HE2 PHE 35 1.443 -3.912 -1.968 286 HE2 PHE 35 HE1 PHE 35 2.717 -5.388 -5.753 287 HZ PHE 35 HZ PHE 35 1.401 -3.789 -4.426 288 H THR 36 H THR 36 3.675 -11.311 -1.976 289 HA THR 36 HA THR 36 5.456 -12.186 0.128 290 HB THR 36 HB THR 36 4.532 -13.675 -2.356 291 HG1 THR 36 HG1 THR 36 3.400 -14.090 0.179 292 HG21 THR 36 3HG2 THR 36 5.029 -15.705 -1.050 293 HG22 THR 36 1HG2 THR 36 5.624 -14.710 0.285 294 HG23 THR 36 2HG2 THR 36 6.482 -14.729 -1.258 295 H GLN 37 H GLN 37 7.416 -11.231 -0.023 296 HA GLN 37 HA GLN 37 9.059 -11.368 -2.409 297 HB2 GLN 37 2HB GLN 37 9.289 -9.681 -0.413 298 HB3 GLN 37 3HB GLN 37 10.051 -11.005 0.456 299 HG2 GLN 37 2HG GLN 37 11.868 -9.817 -0.425 300 HG3 GLN 37 3HG GLN 37 11.673 -11.139 -1.574 301 HE21 GLN 37 1HE2 GLN 37 12.896 -8.528 -1.952 302 HE22 GLN 37 2HE2 GLN 37 12.042 -7.763 -3.244 303 H SER 38 H SER 38 9.378 -13.468 -3.045 304 HA SER 38 HA SER 38 9.683 -15.552 -0.973 305 HB2 SER 38 2HB SER 38 7.900 -15.984 -2.537 306 HB3 SER 38 3HB SER 38 8.965 -15.755 -3.927 307 HG SER 38 HG SER 38 9.739 -17.711 -3.652 308 H GLY 39 H GLY 39 11.354 -16.879 -0.872 309 HA2 GLY 39 2HA GLY 39 13.511 -16.944 -2.820 310 HA3 GLY 39 3HA GLY 39 13.928 -16.153 -1.297 311 H LYS 40 H LYS 40 15.493 -17.954 -1.241 312 HA LYS 40 HA LYS 40 14.435 -20.124 0.404 313 HB2 LYS 40 2HB LYS 40 15.664 -21.881 -0.890 314 HB3 LYS 40 3HB LYS 40 14.323 -21.176 -1.763 315 HG2 LYS 40 2HG LYS 40 15.963 -21.414 -3.401 316 HG3 LYS 40 3HG LYS 40 16.099 -19.714 -2.954 317 HD2 LYS 40 2HD LYS 40 18.072 -20.204 -1.582 318 HD3 LYS 40 3HD LYS 40 17.899 -21.933 -1.896 319 HE2 LYS 40 2HE LYS 40 18.401 -19.859 -4.056 320 HE3 LYS 40 3HE LYS 40 19.667 -20.796 -3.267 321 HZ1 LYS 40 3HZ LYS 40 18.679 -22.810 -4.118 322 HZ2 LYS 40 1HZ LYS 40 19.007 -21.743 -5.392 323 HZ3 LYS 40 2HZ LYS 40 17.424 -21.938 -4.834 324 H ARG 41 H ARG 41 16.156 -21.146 1.711 325 HA ARG 41 HA ARG 41 18.421 -19.261 2.118 326 HB2 ARG 41 2HB ARG 41 16.644 -18.976 3.834 327 HB3 ARG 41 3HB ARG 41 16.780 -20.674 4.266 328 HG2 ARG 41 2HG ARG 41 19.161 -20.244 4.963 329 HG3 ARG 41 3HG ARG 41 18.894 -18.528 4.641 330 HD2 ARG 41 2HD ARG 41 17.455 -20.236 6.693 331 HD3 ARG 41 3HD ARG 41 18.627 -18.959 7.018 332 HE ARG 41 HE ARG 41 16.657 -17.708 5.598 333 HH11 ARG 41 1HH1 ARG 41 16.646 -19.573 8.581 334 HH12 ARG 41 2HH1 ARG 41 15.286 -18.719 9.235 335 HH21 ARG 41 2HH2 ARG 41 14.857 -16.638 6.450 336 HH22 ARG 41 1HH2 ARG 41 14.276 -17.069 8.032 337 H ASP 42 H ASP 42 20.318 -20.182 1.960 338 HA ASP 42 HA ASP 42 20.833 -23.018 2.026 339 HB2 ASP 42 2HB ASP 42 22.177 -21.525 0.611 340 HB3 ASP 42 3HB ASP 42 22.628 -20.562 1.990 341 H LEU 43 H LEU 43 20.888 -24.115 3.913 342 HA LEU 43 HA LEU 43 21.125 -22.774 6.468 343 HB2 LEU 43 2HB LEU 43 20.782 -25.684 5.666 344 HB3 LEU 43 3HB LEU 43 20.957 -25.192 7.340 345 HG LEU 43 HG LEU 43 18.695 -24.410 5.443 346 HD11 LEU 43 1HD1 LEU 43 18.533 -26.709 6.267 347 HD12 LEU 43 2HD1 LEU 43 17.252 -25.702 6.931 348 HD13 LEU 43 3HD1 LEU 43 18.638 -26.141 7.936 349 HD21 LEU 43 3HD2 LEU 43 19.169 -22.516 6.885 350 HD22 LEU 43 1HD2 LEU 43 19.120 -23.545 8.322 351 HD23 LEU 43 2HD2 LEU 43 17.656 -23.272 7.373 352 H THR 44 H THR 44 23.452 -24.071 4.331 353 HA THR 44 HA THR 44 25.152 -25.298 6.306 354 HB THR 44 HB THR 44 26.648 -25.780 4.555 355 HG1 THR 44 HG1 THR 44 25.379 -24.061 2.711 356 HG21 THR 44 3HG2 THR 44 24.549 -27.021 4.306 357 HG22 THR 44 1HG2 THR 44 25.284 -26.710 2.731 358 HG23 THR 44 2HG2 THR 44 23.917 -25.730 3.276 359 H ASN 45 H ASN 45 25.191 -22.307 4.438 360 HA ASN 45 HA ASN 45 27.256 -21.083 6.142 361 HB2 ASN 45 2HB ASN 45 27.405 -20.810 3.665 362 HB3 ASN 45 3HB ASN 45 25.829 -20.018 3.646 363 HD21 ASN 45 1HD2 ASN 45 25.672 -17.887 4.503 364 HD22 ASN 45 2HD2 ASN 45 27.065 -16.891 4.709 365 H GLY 46 H GLY 46 23.797 -21.016 5.509 366 HA2 GLY 46 2HA GLY 46 22.109 -20.193 6.903 367 HA3 GLY 46 3HA GLY 46 23.306 -19.359 7.885 368 H LYS 47 H LYS 47 23.215 -19.118 4.424 369 HA LYS 47 HA LYS 47 22.706 -16.224 4.537 370 HB2 LYS 47 2HB LYS 47 23.454 -16.297 2.114 371 HB3 LYS 47 3HB LYS 47 24.677 -16.792 3.276 372 HG2 LYS 47 2HG LYS 47 24.306 -19.134 2.739 373 HG3 LYS 47 3HG LYS 47 22.977 -18.711 1.660 374 HD2 LYS 47 2HD LYS 47 25.854 -17.804 1.240 375 HD3 LYS 47 3HD LYS 47 25.156 -19.243 0.495 376 HE2 LYS 47 2HE LYS 47 23.487 -17.850 -0.661 377 HE3 LYS 47 3HE LYS 47 24.152 -16.406 0.106 378 HZ1 LYS 47 3HZ LYS 47 24.907 -16.827 -2.220 379 HZ2 LYS 47 1HZ LYS 47 25.742 -18.184 -1.662 380 HZ3 LYS 47 2HZ LYS 47 26.157 -16.636 -1.104 381 H GLU 48 H GLU 48 20.881 -15.305 3.676 382 HA GLU 48 HA GLU 48 18.750 -17.015 2.636 383 HB2 GLU 48 2HB GLU 48 18.837 -14.052 3.327 384 HB3 GLU 48 3HB GLU 48 17.399 -14.903 2.760 385 HG2 GLU 48 2HG GLU 48 17.652 -16.426 4.797 386 HG3 GLU 48 3HG GLU 48 18.885 -15.304 5.346 387 H ILE 49 H ILE 49 18.692 -17.363 0.541 388 HA ILE 49 HA ILE 49 19.836 -15.431 -1.368 389 HB ILE 49 HB ILE 49 18.728 -18.215 -2.008 390 HG12 ILE 49 2HG1 ILE 49 21.248 -18.700 -2.495 391 HG13 ILE 49 3HG1 ILE 49 21.586 -17.278 -1.518 392 HG21 ILE 49 1HG2 ILE 49 20.253 -16.231 -3.744 393 HG22 ILE 49 2HG2 ILE 49 18.547 -16.656 -3.896 394 HG23 ILE 49 3HG2 ILE 49 19.787 -17.865 -4.228 395 HD11 ILE 49 3HD1 ILE 49 20.156 -19.767 -0.580 396 HD12 ILE 49 1HD1 ILE 49 20.521 -18.347 0.407 397 HD13 ILE 49 2HD1 ILE 49 21.832 -19.330 -0.244 398 H TRP 50 H TRP 50 18.229 -13.864 -1.012 399 HA TRP 50 HA TRP 50 15.516 -14.295 -1.911 400 HB2 TRP 50 2HB TRP 50 17.099 -11.737 -1.359 401 HB3 TRP 50 3HB TRP 50 15.370 -11.799 -1.699 402 HD1 TRP 50 HD1 TRP 50 17.774 -11.949 1.174 403 HE1 TRP 50 HE1 TRP 50 16.535 -12.576 3.342 404 HE3 TRP 50 HE3 TRP 50 13.341 -13.429 -0.870 405 HZ2 TRP 50 HZ2 TRP 50 13.962 -13.561 4.079 406 HZ3 TRP 50 HZ3 TRP 50 11.557 -14.212 0.609 407 HH2 TRP 50 HH2 TRP 50 11.836 -14.283 3.020 408 H ASP 51 H ASP 51 14.867 -14.128 -4.020 409 HA ASP 51 HA ASP 51 16.836 -14.410 -6.007 410 HB2 ASP 51 2HB ASP 51 14.584 -15.437 -6.146 411 HB3 ASP 51 3HB ASP 51 13.879 -13.852 -6.397 412 H SER 52 H SER 52 17.839 -13.014 -7.256 413 HA SER 52 HA SER 52 18.003 -10.293 -6.546 414 HB2 SER 52 2HB SER 52 19.914 -11.648 -7.343 415 HB3 SER 52 3HB SER 52 19.188 -11.747 -8.944 416 HG SER 52 HG SER 52 20.660 -10.094 -8.999 417 H LYS 53 H LYS 53 16.242 -11.935 -9.091 418 HA LYS 53 HA LYS 53 15.549 -9.405 -10.456 419 HB2 LYS 53 2HB LYS 53 14.990 -12.318 -11.207 420 HB3 LYS 53 3HB LYS 53 14.554 -10.920 -12.185 421 HG2 LYS 53 2HG LYS 53 16.946 -10.370 -12.480 422 HG3 LYS 53 3HG LYS 53 17.386 -11.776 -11.503 423 HD2 LYS 53 2HD LYS 53 16.375 -13.287 -13.154 424 HD3 LYS 53 3HD LYS 53 15.806 -11.913 -14.106 425 HE2 LYS 53 2HE LYS 53 18.733 -12.552 -13.588 426 HE3 LYS 53 3HE LYS 53 17.844 -12.987 -15.048 427 HZ1 LYS 53 3HZ LYS 53 18.253 -10.210 -14.083 428 HZ2 LYS 53 1HZ LYS 53 17.500 -10.667 -15.528 429 HZ3 LYS 53 2HZ LYS 53 19.153 -10.954 -15.303 430 H TRP 54 H TRP 54 14.333 -11.074 -7.853 431 HA TRP 54 HA TRP 54 11.635 -11.556 -8.568 432 HB2 TRP 54 2HB TRP 54 12.788 -12.623 -6.604 433 HB3 TRP 54 3HB TRP 54 12.677 -11.101 -5.736 434 HD1 TRP 54 HD1 TRP 54 10.247 -10.440 -4.760 435 HE1 TRP 54 HE1 TRP 54 8.077 -11.762 -4.424 436 HE3 TRP 54 HE3 TRP 54 11.345 -14.548 -7.616 437 HZ2 TRP 54 HZ2 TRP 54 6.970 -14.210 -5.242 438 HZ3 TRP 54 HZ3 TRP 54 9.665 -16.340 -7.785 439 HH2 TRP 54 HH2 TRP 54 7.522 -16.174 -6.621 440 H SER 55 H SER 55 9.958 -10.271 -8.732 441 HA SER 55 HA SER 55 9.594 -7.977 -6.992 442 HB2 SER 55 2HB SER 55 8.954 -6.463 -8.852 443 HB3 SER 55 3HB SER 55 10.634 -6.955 -8.987 444 HG SER 55 HG SER 55 9.482 -7.041 -10.987 445 H LEU 56 H LEU 56 7.464 -7.642 -6.516 446 HA LEU 56 HA LEU 56 5.444 -9.441 -7.761 447 HB2 LEU 56 2HB LEU 56 6.333 -9.756 -5.224 448 HB3 LEU 56 3HB LEU 56 5.218 -8.452 -4.882 449 HG LEU 56 HG LEU 56 4.231 -10.652 -4.384 450 HD11 LEU 56 1HD1 LEU 56 2.674 -8.892 -5.044 451 HD12 LEU 56 2HD1 LEU 56 2.093 -10.469 -5.566 452 HD13 LEU 56 3HD1 LEU 56 2.815 -9.362 -6.739 453 HD21 LEU 56 3HD2 LEU 56 3.725 -12.297 -6.144 454 HD22 LEU 56 1HD2 LEU 56 5.459 -12.029 -5.991 455 HD23 LEU 56 2HD2 LEU 56 4.571 -11.307 -7.335 456 H THR 57 H THR 57 3.622 -8.333 -8.533 457 HA THR 57 HA THR 57 3.391 -5.435 -7.942 458 HB THR 57 HB THR 57 2.680 -6.781 -10.599 459 HG1 THR 57 HG1 THR 57 4.998 -6.544 -10.032 460 HG21 THR 57 3HG2 THR 57 1.309 -4.755 -10.156 461 HG22 THR 57 1HG2 THR 57 2.458 -4.469 -11.459 462 HG23 THR 57 2HG2 THR 57 2.777 -3.823 -9.848 463 H GLN 58 H GLN 58 1.530 -4.833 -7.072 464 HA GLN 58 HA GLN 58 -0.979 -6.190 -7.798 465 HB2 GLN 58 2HB GLN 58 -0.125 -5.706 -4.903 466 HB3 GLN 58 3HB GLN 58 -1.783 -6.035 -5.388 467 HG2 GLN 58 2HG GLN 58 -1.042 -8.239 -6.291 468 HG3 GLN 58 3HG GLN 58 0.579 -7.895 -5.692 469 HE21 GLN 58 1HE2 GLN 58 0.470 -9.773 -4.424 470 HE22 GLN 58 2HE2 GLN 58 -0.435 -9.830 -2.957 471 H THR 59 H THR 59 -2.756 -4.844 -7.655 472 HA THR 59 HA THR 59 -2.079 -2.073 -8.270 473 HB THR 59 HB THR 59 -4.703 -3.571 -8.669 474 HG1 THR 59 HG1 THR 59 -2.283 -3.803 -9.958 475 HG21 THR 59 3HG2 THR 59 -4.910 -1.112 -8.910 476 HG22 THR 59 1HG2 THR 59 -5.081 -1.908 -10.474 477 HG23 THR 59 2HG2 THR 59 -3.567 -1.101 -10.058 478 H PHE 60 H PHE 60 -2.404 -0.507 -6.748 479 HA PHE 60 HA PHE 60 -4.525 -0.688 -4.760 480 HB2 PHE 60 2HB PHE 60 -2.494 1.469 -5.468 481 HB3 PHE 60 3HB PHE 60 -3.841 1.819 -4.388 482 HD1 PHE 60 HD1 PHE 60 -4.082 0.556 -2.242 483 HD2 PHE 60 HD2 PHE 60 -0.590 0.221 -4.672 484 HE1 PHE 60 HE1 PHE 60 -2.852 -0.396 -0.345 485 HE2 PHE 60 HE2 PHE 60 0.637 -0.727 -2.764 486 HZ PHE 60 HZ PHE 60 -0.497 -1.040 -0.613 487 H GLU 61 H GLU 61 -6.491 -0.587 -5.477 488 HA GLU 61 HA GLU 61 -7.596 1.869 -6.319 489 HB2 GLU 61 2HB GLU 61 -8.687 1.201 -8.405 490 HB3 GLU 61 3HB GLU 61 -6.943 1.085 -8.583 491 HG2 GLU 61 2HG GLU 61 -7.005 -1.326 -8.472 492 HG3 GLU 61 3HG GLU 61 -8.701 -1.308 -7.986 493 H ALA 62 H ALA 62 -10.094 0.862 -7.188 494 HA ALA 62 HA ALA 62 -12.094 0.103 -6.520 495 HB1 ALA 62 3HB ALA 62 -11.030 -2.121 -6.672 496 HB2 ALA 62 1HB ALA 62 -12.266 -2.071 -5.413 497 HB3 ALA 62 2HB ALA 62 -10.556 -2.012 -4.980 498 H LEU 63 H LEU 63 -10.161 1.753 -4.578 499 HA LEU 63 HA LEU 63 -11.340 1.320 -1.973 500 HB2 LEU 63 2HB LEU 63 -8.829 1.882 -2.622 501 HB3 LEU 63 3HB LEU 63 -9.392 3.539 -2.700 502 HG LEU 63 HG LEU 63 -8.292 3.051 -0.550 503 HD11 LEU 63 1HD1 LEU 63 -10.072 4.742 -0.561 504 HD12 LEU 63 2HD1 LEU 63 -9.955 3.917 0.989 505 HD13 LEU 63 3HD1 LEU 63 -11.256 3.508 -0.133 506 HD21 LEU 63 3HD2 LEU 63 -8.792 0.649 -0.444 507 HD22 LEU 63 1HD2 LEU 63 -10.487 1.003 -0.100 508 HD23 LEU 63 2HD2 LEU 63 -9.231 1.464 1.054 509 HA PRO 64 HA PRO 64 -14.446 4.357 -3.307 510 HB2 PRO 64 2HB PRO 64 -16.335 3.842 -1.465 511 HB3 PRO 64 3HB PRO 64 -15.887 2.594 -2.648 512 HG2 PRO 64 2HG PRO 64 -14.988 2.885 0.204 513 HG3 PRO 64 3HG PRO 64 -15.572 1.434 -0.644 514 HD2 PRO 64 2HD PRO 64 -12.893 2.017 -0.305 515 HD3 PRO 64 3HD PRO 64 -13.525 1.040 -1.652 516 H SER 65 H SER 65 -16.051 5.800 -1.725 517 HA SER 65 HA SER 65 -14.793 7.016 0.563 518 HB2 SER 65 2HB SER 65 -13.691 8.297 -1.253 519 HB3 SER 65 3HB SER 65 -15.254 8.651 -1.978 520 HG SER 65 HG SER 65 -14.552 9.464 0.650 521 HA PRO 66 HA PRO 66 -19.221 6.784 1.445 522 HB2 PRO 66 2HB PRO 66 -19.223 8.595 3.613 523 HB3 PRO 66 3HB PRO 66 -18.835 6.868 3.729 524 HG2 PRO 66 2HG PRO 66 -16.970 9.204 3.478 525 HG3 PRO 66 3HG PRO 66 -16.854 7.773 4.537 526 HD2 PRO 66 2HD PRO 66 -15.396 7.889 2.316 527 HD3 PRO 66 3HD PRO 66 -16.191 6.360 2.762 528 H VAL 67 H VAL 67 -20.745 7.779 0.297 529 HA VAL 67 HA VAL 67 -20.306 10.217 -1.103 530 HB VAL 67 HB VAL 67 -22.863 8.565 -0.803 531 HG11 VAL 67 1HG1 VAL 67 -23.413 10.832 -1.545 532 HG12 VAL 67 2HG1 VAL 67 -23.637 9.693 -2.872 533 HG13 VAL 67 3HG1 VAL 67 -22.211 10.733 -2.835 534 HG21 VAL 67 3HG2 VAL 67 -22.258 7.596 -2.996 535 HG22 VAL 67 1HG2 VAL 67 -21.013 7.275 -1.789 536 HG23 VAL 67 2HG2 VAL 67 -20.759 8.530 -3.004 537 H ILE 68 H ILE 68 -20.350 12.135 -0.089 538 HA ILE 68 HA ILE 68 -22.345 12.666 2.046 539 HB ILE 68 HB ILE 68 -19.641 14.050 1.613 540 HG12 ILE 68 2HG1 ILE 68 -20.414 11.922 3.666 541 HG13 ILE 68 3HG1 ILE 68 -19.366 11.667 2.279 542 HG21 ILE 68 1HG2 ILE 68 -21.582 14.205 3.954 543 HG22 ILE 68 2HG2 ILE 68 -21.323 15.465 2.747 544 HG23 ILE 68 3HG2 ILE 68 -20.018 15.019 3.845 545 HD11 ILE 68 3HD1 ILE 68 -17.756 13.248 3.230 546 HD12 ILE 68 1HD1 ILE 68 -18.074 11.862 4.269 547 HD13 ILE 68 2HD1 ILE 68 -18.796 13.423 4.647 548 H ILE 69 H ILE 69 -23.978 13.794 1.234 549 HA ILE 69 HA ILE 69 -23.888 15.064 -1.319 550 HB ILE 69 HB ILE 69 -26.130 14.934 0.744 551 HG12 ILE 69 2HG1 ILE 69 -25.457 12.677 0.009 552 HG13 ILE 69 3HG1 ILE 69 -27.035 13.071 -0.658 553 HG21 ILE 69 1HG2 ILE 69 -26.280 15.681 -2.198 554 HG22 ILE 69 2HG2 ILE 69 -26.539 16.764 -0.828 555 HG23 ILE 69 3HG2 ILE 69 -27.664 15.441 -1.129 556 HD11 ILE 69 3HD1 ILE 69 -24.405 13.128 -2.147 557 HD12 ILE 69 1HD1 ILE 69 -25.976 13.556 -2.830 558 HD13 ILE 69 2HD1 ILE 69 -25.670 11.909 -2.283 559 H GLY 70 H GLY 70 -23.584 17.159 -1.780 560 HA2 GLY 70 2HA GLY 70 -23.512 19.476 -1.433 561 HA3 GLY 70 3HA GLY 70 -23.660 19.239 0.303 562 H TYR 71 H TYR 71 -21.415 17.096 -1.029 563 HA TYR 71 HA TYR 71 -19.120 18.914 -0.675 564 HB2 TYR 71 2HB TYR 71 -19.503 16.198 0.670 565 HB3 TYR 71 3HB TYR 71 -17.927 16.969 0.509 566 HD1 TYR 71 HD2 TYR 71 -21.304 17.378 2.039 567 HD2 TYR 71 HD1 TYR 71 -17.248 18.708 2.046 568 HE1 TYR 71 HE2 TYR 71 -21.723 18.651 4.087 569 HE2 TYR 71 HE1 TYR 71 -17.673 19.989 4.098 570 HH TYR 71 HH TYR 71 -19.632 21.018 5.233 571 H THR 72 H THR 72 -17.406 18.550 -2.025 572 HA THR 72 HA THR 72 -17.503 16.228 -3.869 573 HB THR 72 HB THR 72 -16.174 18.962 -4.308 574 HG1 THR 72 HG1 THR 72 -18.603 17.792 -5.135 575 HG21 THR 72 3HG2 THR 72 -16.420 16.600 -6.221 576 HG22 THR 72 1HG2 THR 72 -14.927 17.142 -5.466 577 HG23 THR 72 2HG2 THR 72 -15.764 18.190 -6.617 578 H ALA 73 H ALA 73 -16.065 14.716 -3.312 579 HA ALA 73 HA ALA 73 -13.966 15.120 -1.394 580 HB1 ALA 73 3HB ALA 73 -15.185 12.982 -1.543 581 HB2 ALA 73 1HB ALA 73 -13.455 12.733 -1.794 582 HB3 ALA 73 2HB ALA 73 -14.560 12.718 -3.172 583 H ASP 74 H ASP 74 -11.752 15.115 -1.738 584 HA ASP 74 HA ASP 74 -10.675 16.270 -4.100 585 HB2 ASP 74 2HB ASP 74 -9.679 16.672 -1.908 586 HB3 ASP 74 3HB ASP 74 -9.368 14.955 -1.680 587 H LYS 75 H LYS 75 -10.863 13.005 -2.871 588 HA LYS 75 HA LYS 75 -10.868 12.035 -5.584 589 HB2 LYS 75 2HB LYS 75 -9.439 10.028 -5.084 590 HB3 LYS 75 3HB LYS 75 -8.559 11.532 -5.207 591 HG2 LYS 75 2HG LYS 75 -9.352 10.541 -2.482 592 HG3 LYS 75 3HG LYS 75 -8.019 9.751 -3.313 593 HD2 LYS 75 2HD LYS 75 -8.152 12.739 -2.728 594 HD3 LYS 75 3HD LYS 75 -7.284 11.558 -1.746 595 HE2 LYS 75 2HE LYS 75 -5.828 11.006 -3.661 596 HE3 LYS 75 3HE LYS 75 -6.715 12.150 -4.674 597 HZ1 LYS 75 3HZ LYS 75 -5.961 13.948 -3.288 598 HZ2 LYS 75 1HZ LYS 75 -4.621 13.060 -3.804 599 HZ3 LYS 75 2HZ LYS 75 -5.198 12.886 -2.225 600 HA PRO 76 HA PRO 76 -14.300 10.043 -3.292 601 HB2 PRO 76 2HB PRO 76 -15.876 9.537 -5.447 602 HB3 PRO 76 3HB PRO 76 -15.718 11.181 -4.792 603 HG2 PRO 76 2HG PRO 76 -14.297 9.951 -7.132 604 HG3 PRO 76 3HG PRO 76 -15.111 11.529 -7.021 605 HD2 PRO 76 2HD PRO 76 -12.414 11.273 -6.761 606 HD3 PRO 76 3HD PRO 76 -13.338 12.516 -5.879 607 H MET 77 H MET 77 -12.053 8.929 -5.552 608 HA MET 77 HA MET 77 -12.297 6.200 -4.525 609 HB2 MET 77 2HB MET 77 -13.263 6.182 -6.820 610 HB3 MET 77 3HB MET 77 -11.806 6.931 -7.458 611 HG2 MET 77 2HG MET 77 -10.498 4.957 -6.855 612 HG3 MET 77 3HG MET 77 -11.929 4.205 -6.140 613 HE1 MET 77 3HE MET 77 -10.287 2.596 -8.197 614 HE2 MET 77 1HE MET 77 -11.521 2.019 -9.315 615 HE3 MET 77 2HE MET 77 -11.842 2.023 -7.583 616 H VAL 78 H VAL 78 -10.411 5.669 -3.655 617 HA VAL 78 HA VAL 78 -7.998 7.269 -4.204 618 HB VAL 78 HB VAL 78 -8.271 5.370 -1.830 619 HG11 VAL 78 1HG1 VAL 78 -6.723 7.956 -2.253 620 HG12 VAL 78 2HG1 VAL 78 -6.059 6.321 -2.281 621 HG13 VAL 78 3HG1 VAL 78 -6.707 6.979 -0.782 622 HG21 VAL 78 3HG2 VAL 78 -10.292 6.779 -1.740 623 HG22 VAL 78 1HG2 VAL 78 -9.295 8.234 -1.843 624 HG23 VAL 78 2HG2 VAL 78 -9.171 7.173 -0.435 625 H GLY 79 H GLY 79 -5.936 6.094 -4.334 626 HA2 GLY 79 2HA GLY 79 -4.570 4.344 -4.992 627 HA3 GLY 79 3HA GLY 79 -5.942 3.255 -4.961 628 HA PRO 80 HA PRO 80 -5.714 4.877 -9.390 629 HB2 PRO 80 2HB PRO 80 -4.287 7.045 -10.031 630 HB3 PRO 80 3HB PRO 80 -5.730 7.214 -9.011 631 HG2 PRO 80 2HG PRO 80 -2.868 7.426 -8.250 632 HG3 PRO 80 3HG PRO 80 -4.293 8.180 -7.506 633 HD2 PRO 80 2HD PRO 80 -2.947 5.718 -6.715 634 HD3 PRO 80 3HD PRO 80 -4.318 6.532 -5.923 635 H ASP 81 H ASP 81 -3.439 3.125 -8.079 636 HA ASP 81 HA ASP 81 -1.577 3.096 -10.319 637 HB2 ASP 81 2HB ASP 81 -0.771 5.046 -9.040 638 HB3 ASP 81 3HB ASP 81 -0.617 4.051 -7.596 639 H GLU 82 H GLU 82 -0.894 1.141 -10.669 640 HA GLU 82 HA GLU 82 -0.784 -1.049 -8.828 641 HB2 GLU 82 2HB GLU 82 0.647 -0.660 -11.493 642 HB3 GLU 82 3HB GLU 82 0.627 -2.181 -10.599 643 HG2 GLU 82 2HG GLU 82 -1.819 -2.286 -10.860 644 HG3 GLU 82 3HG GLU 82 -1.790 -0.771 -11.757 645 H VAL 83 H VAL 83 0.685 -1.475 -7.315 646 HA VAL 83 HA VAL 83 3.308 -0.151 -7.255 647 HB VAL 83 HB VAL 83 1.645 -1.641 -5.175 648 HG11 VAL 83 1HG1 VAL 83 4.602 -0.964 -4.886 649 HG12 VAL 83 2HG1 VAL 83 3.892 -2.579 -4.894 650 HG13 VAL 83 3HG1 VAL 83 3.537 -1.475 -3.570 651 HG21 VAL 83 3HG2 VAL 83 2.991 1.089 -5.202 652 HG22 VAL 83 1HG2 VAL 83 1.995 0.442 -3.893 653 HG23 VAL 83 2HG2 VAL 83 1.275 0.770 -5.467 654 H THR 84 H THR 84 5.064 -1.174 -7.945 655 HA THR 84 HA THR 84 5.248 -4.127 -7.965 656 HB THR 84 HB THR 84 6.969 -2.054 -9.433 657 HG1 THR 84 HG1 THR 84 4.868 -3.728 -10.408 658 HG21 THR 84 3HG2 THR 84 8.175 -4.170 -8.989 659 HG22 THR 84 1HG2 THR 84 7.842 -3.964 -10.706 660 HG23 THR 84 2HG2 THR 84 6.861 -5.077 -9.749 661 H VAL 85 H VAL 85 6.137 -4.744 -6.009 662 HA VAL 85 HA VAL 85 8.351 -3.202 -4.816 663 HB VAL 85 HB VAL 85 6.961 -5.737 -3.765 664 HG11 VAL 85 1HG1 VAL 85 8.919 -3.854 -2.382 665 HG12 VAL 85 2HG1 VAL 85 9.255 -5.507 -2.904 666 HG13 VAL 85 3HG1 VAL 85 8.085 -5.212 -1.621 667 HG21 VAL 85 3HG2 VAL 85 5.828 -4.248 -2.153 668 HG22 VAL 85 1HG2 VAL 85 5.402 -3.844 -3.817 669 HG23 VAL 85 2HG2 VAL 85 6.556 -2.841 -2.935 670 H ASP 86 H ASP 86 10.190 -3.607 -5.864 671 HA ASP 86 HA ASP 86 11.000 -6.256 -6.806 672 HB2 ASP 86 2HB ASP 86 12.463 -3.567 -6.788 673 HB3 ASP 86 3HB ASP 86 13.095 -5.041 -7.509 674 H SER 87 H SER 87 13.206 -7.018 -6.160 675 HA SER 87 HA SER 87 13.716 -7.249 -3.412 676 HB2 SER 87 2HB SER 87 15.991 -8.132 -4.237 677 HB3 SER 87 3HB SER 87 14.563 -8.927 -4.902 678 HG SER 87 HG SER 87 15.748 -8.513 -6.662 679 H LYS 88 H LYS 88 14.720 -4.868 -5.729 680 HA LYS 88 HA LYS 88 16.868 -3.644 -4.333 681 HB2 LYS 88 2HB LYS 88 14.996 -2.449 -6.420 682 HB3 LYS 88 3HB LYS 88 16.543 -1.765 -5.926 683 HG2 LYS 88 2HG LYS 88 17.755 -3.629 -6.876 684 HG3 LYS 88 3HG LYS 88 16.255 -4.495 -7.223 685 HD2 LYS 88 2HD LYS 88 17.097 -1.853 -8.488 686 HD3 LYS 88 3HD LYS 88 17.197 -3.438 -9.252 687 HE2 LYS 88 2HE LYS 88 14.796 -3.659 -9.296 688 HE3 LYS 88 3HE LYS 88 14.588 -2.215 -8.299 689 HZ1 LYS 88 3HZ LYS 88 14.169 -1.792 -10.661 690 HZ2 LYS 88 1HZ LYS 88 15.758 -2.243 -11.034 691 HZ3 LYS 88 2HZ LYS 88 15.471 -0.872 -10.091 692 H ASN 89 H ASN 89 13.509 -2.416 -4.830 693 HA ASN 89 HA ASN 89 13.867 -0.443 -2.674 694 HB2 ASN 89 2HB ASN 89 11.896 0.666 -3.544 695 HB3 ASN 89 3HB ASN 89 12.931 0.262 -4.907 696 HD21 ASN 89 1HD2 ASN 89 10.023 0.781 -4.792 697 HD22 ASN 89 2HD2 ASN 89 9.280 -0.615 -5.494 698 H PHE 90 H PHE 90 13.280 -3.466 -2.418 699 HA PHE 90 HA PHE 90 10.823 -3.998 -1.261 700 HB2 PHE 90 2HB PHE 90 12.360 -5.768 -1.878 701 HB3 PHE 90 3HB PHE 90 13.579 -5.184 -0.753 702 HD1 PHE 90 HD2 PHE 90 9.934 -6.187 -0.528 703 HD2 PHE 90 HD1 PHE 90 13.882 -6.589 1.049 704 HE1 PHE 90 HE2 PHE 90 9.104 -7.755 1.194 705 HE2 PHE 90 HE1 PHE 90 13.048 -8.147 2.754 706 HZ PHE 90 HZ PHE 90 10.656 -8.724 2.817 707 H LEU 91 H LEU 91 13.658 -2.485 0.162 708 HA LEU 91 HA LEU 91 12.822 -2.815 2.903 709 HB2 LEU 91 2HB LEU 91 15.022 -1.115 1.673 710 HB3 LEU 91 3HB LEU 91 14.766 -1.299 3.398 711 HG LEU 91 HG LEU 91 16.589 -2.731 2.831 712 HD11 LEU 91 1HD1 LEU 91 14.126 -4.478 3.112 713 HD12 LEU 91 2HD1 LEU 91 15.030 -3.718 4.425 714 HD13 LEU 91 3HD1 LEU 91 15.792 -4.969 3.447 715 HD21 LEU 91 3HD2 LEU 91 16.250 -2.868 0.386 716 HD22 LEU 91 1HD2 LEU 91 14.923 -4.006 0.631 717 HD23 LEU 91 2HD2 LEU 91 16.569 -4.450 1.092 718 H ASP 92 H ASP 92 11.976 -0.670 0.429 719 HA ASP 92 HA ASP 92 11.160 1.518 2.238 720 HB2 ASP 92 2HB ASP 92 12.478 2.111 0.206 721 HB3 ASP 92 3HB ASP 92 11.244 1.390 -0.813 722 H LYS 93 H LYS 93 9.021 2.112 2.446 723 HA LYS 93 HA LYS 93 6.914 0.267 1.643 724 HB2 LYS 93 2HB LYS 93 5.421 1.699 2.946 725 HB3 LYS 93 3HB LYS 93 6.889 1.415 3.875 726 HG2 LYS 93 2HG LYS 93 7.736 3.653 3.094 727 HG3 LYS 93 3HG LYS 93 6.159 3.932 2.355 728 HD2 LYS 93 2HD LYS 93 5.082 3.774 4.569 729 HD3 LYS 93 3HD LYS 93 6.647 3.440 5.316 730 HE2 LYS 93 2HE LYS 93 7.455 5.674 4.580 731 HE3 LYS 93 3HE LYS 93 5.863 6.006 3.886 732 HZ1 LYS 93 3HZ LYS 93 6.119 6.979 6.081 733 HZ2 LYS 93 1HZ LYS 93 6.404 5.453 6.751 734 HZ3 LYS 93 2HZ LYS 93 4.898 5.810 6.081 735 H GLN 94 H GLN 94 5.188 0.855 0.175 736 HA GLN 94 HA GLN 94 6.192 2.674 -1.949 737 HB2 GLN 94 2HB GLN 94 4.195 0.404 -2.243 738 HB3 GLN 94 3HB GLN 94 5.053 1.249 -3.525 739 HG2 GLN 94 2HG GLN 94 6.372 -0.491 -1.424 740 HG3 GLN 94 3HG GLN 94 5.945 -1.030 -3.042 741 HE21 GLN 94 1HE2 GLN 94 8.565 -0.863 -1.682 742 HE22 GLN 94 2HE2 GLN 94 9.556 0.091 -2.722 743 H ASN 95 H ASN 95 3.929 2.750 0.463 744 HA ASN 95 HA ASN 95 2.502 4.966 -0.783 745 HB2 ASN 95 2HB ASN 95 1.093 2.402 0.034 746 HB3 ASN 95 3HB ASN 95 0.259 3.938 0.251 747 HD21 ASN 95 1HD2 ASN 95 1.507 1.684 -2.110 748 HD22 ASN 95 2HD2 ASN 95 0.708 2.373 -3.473 749 H ARG 96 H ARG 96 0.619 5.503 1.120 750 HA ARG 96 HA ARG 96 1.823 5.659 3.754 751 HB2 ARG 96 2HB ARG 96 2.070 8.115 3.713 752 HB3 ARG 96 3HB ARG 96 3.131 7.338 2.547 753 HG2 ARG 96 2HG ARG 96 1.539 7.905 0.730 754 HG3 ARG 96 3HG ARG 96 0.500 8.705 1.909 755 HD2 ARG 96 2HD ARG 96 2.336 10.314 2.391 756 HD3 ARG 96 3HD ARG 96 3.318 9.529 1.142 757 HE ARG 96 HE ARG 96 0.676 10.681 0.503 758 HH11 ARG 96 2HH1 ARG 96 4.137 10.577 -0.127 759 HH12 ARG 96 1HH1 ARG 96 4.024 11.612 -1.517 760 HH21 ARG 96 2HH2 ARG 96 0.546 12.032 -1.285 761 HH22 ARG 96 1HH2 ARG 96 1.987 12.428 -2.167 762 H GLU 97 H GLU 97 0.430 7.998 4.607 763 HA GLU 97 HA GLU 97 -2.286 6.961 4.690 764 HB2 GLU 97 2HB GLU 97 -1.111 9.428 6.065 765 HB3 GLU 97 3HB GLU 97 -2.708 8.745 6.349 766 HG2 GLU 97 2HG GLU 97 -1.391 8.060 8.176 767 HG3 GLU 97 3HG GLU 97 -1.556 6.632 7.163 768 H GLU 98 H GLU 98 -3.466 7.425 2.933 769 HA GLU 98 HA GLU 98 -3.216 9.998 1.519 770 HB2 GLU 98 2HB GLU 98 -4.614 7.371 0.816 771 HB3 GLU 98 3HB GLU 98 -4.775 8.833 -0.154 772 HG2 GLU 98 2HG GLU 98 -2.169 7.430 0.440 773 HG3 GLU 98 3HG GLU 98 -3.103 7.259 -1.047 774 H THR 99 H THR 99 -4.500 11.565 2.177 775 HA THR 99 HA THR 99 -6.982 10.932 3.621 776 HB THR 99 HB THR 99 -5.218 13.425 3.719 777 HG1 THR 99 HG1 THR 99 -4.199 12.349 5.216 778 HG21 THR 99 3HG2 THR 99 -7.586 13.987 4.189 779 HG22 THR 99 1HG2 THR 99 -6.604 14.098 5.651 780 HG23 THR 99 2HG2 THR 99 -7.655 12.704 5.399 781 H VAL 100 H VAL 100 -8.783 11.207 2.422 782 HA VAL 100 HA VAL 100 -8.832 13.001 0.116 783 HB VAL 100 HB VAL 100 -10.853 12.062 -0.545 784 HG11 VAL 100 1HG1 VAL 100 -10.807 9.624 -0.205 785 HG12 VAL 100 2HG1 VAL 100 -9.679 9.827 1.139 786 HG13 VAL 100 3HG1 VAL 100 -9.195 10.275 -0.497 787 HG21 VAL 100 3HG2 VAL 100 -12.245 12.635 1.377 788 HG22 VAL 100 1HG2 VAL 100 -11.552 11.314 2.320 789 HG23 VAL 100 2HG2 VAL 100 -12.545 10.965 0.902 790 H ILE 101 H ILE 101 -9.915 14.951 0.068 791 HA ILE 101 HA ILE 101 -10.938 16.003 2.647 792 HB ILE 101 HB ILE 101 -9.552 17.491 0.377 793 HG12 ILE 101 2HG1 ILE 101 -7.989 16.257 1.835 794 HG13 ILE 101 3HG1 ILE 101 -7.810 17.987 2.092 795 HG21 ILE 101 1HG2 ILE 101 -10.789 18.645 2.898 796 HG22 ILE 101 2HG2 ILE 101 -11.324 18.924 1.238 797 HG23 ILE 101 3HG2 ILE 101 -9.757 19.533 1.773 798 HD11 ILE 101 3HD1 ILE 101 -9.114 17.800 4.177 799 HD12 ILE 101 1HD1 ILE 101 -7.682 16.768 4.186 800 HD13 ILE 101 2HD1 ILE 101 -9.272 16.061 3.910 801 H TYR 102 H TYR 102 -13.069 16.149 2.682 802 HA TYR 102 HA TYR 102 -14.688 16.490 0.307 803 HB2 TYR 102 2HB TYR 102 -15.531 16.465 3.250 804 HB3 TYR 102 3HB TYR 102 -16.595 16.323 1.855 805 HD1 TYR 102 HD1 TYR 102 -16.163 14.245 0.281 806 HD2 TYR 102 HD2 TYR 102 -14.782 14.498 4.315 807 HE1 TYR 102 HE1 TYR 102 -15.965 11.801 0.379 808 HE2 TYR 102 HE2 TYR 102 -14.581 12.059 4.404 809 HH TYR 102 HH TYR 102 -15.529 10.112 3.268 810 H SER 103 H SER 103 -14.367 18.518 -0.497 811 HA SER 103 HA SER 103 -14.647 20.901 1.212 812 HB2 SER 103 2HB SER 103 -14.204 22.103 -0.964 813 HB3 SER 103 3HB SER 103 -12.900 21.000 -0.514 814 HG SER 103 HG SER 103 -14.778 19.742 -2.012 815 H ALA 104 H ALA 104 -16.306 22.565 0.139 816 HA ALA 104 HA ALA 104 -18.930 21.486 -0.010 817 HB1 ALA 104 3HB ALA 104 -18.448 23.857 0.508 818 HB2 ALA 104 1HB ALA 104 -19.590 23.708 -0.829 819 HB3 ALA 104 2HB ALA 104 -17.902 24.112 -1.149 820 H ASN 105 H ASN 105 -20.370 21.319 -1.879 821 HA ASN 105 HA ASN 105 -19.154 19.698 -3.852 822 HB2 ASN 105 2HB ASN 105 -21.634 19.630 -3.001 823 HB3 ASN 105 3HB ASN 105 -21.936 20.819 -4.255 824 HD21 ASN 105 1HD2 ASN 105 -20.976 17.524 -3.635 825 HD22 ASN 105 2HD2 ASN 105 -21.276 16.936 -5.229 826 H THR 106 H THR 106 -19.181 19.943 -6.128 827 HA THR 106 HA THR 106 -18.027 22.259 -7.163 828 HB THR 106 HB THR 106 -17.648 20.076 -8.156 829 HG1 THR 106 HG1 THR 106 -17.885 22.181 -9.510 830 HG21 THR 106 3HG2 THR 106 -19.360 18.855 -9.397 831 HG22 THR 106 1HG2 THR 106 -20.543 20.123 -9.074 832 HG23 THR 106 2HG2 THR 106 -19.924 19.143 -7.741 833 H ILE 107 H ILE 107 -21.377 21.548 -6.683 834 HA ILE 107 HA ILE 107 -22.695 23.212 -8.491 835 HB ILE 107 HB ILE 107 -23.419 22.726 -5.561 836 HG12 ILE 107 2HG1 ILE 107 -24.424 21.177 -7.991 837 HG13 ILE 107 3HG1 ILE 107 -23.111 20.626 -6.958 838 HG21 ILE 107 1HG2 ILE 107 -25.741 23.257 -6.201 839 HG22 ILE 107 2HG2 ILE 107 -25.216 23.602 -7.850 840 HG23 ILE 107 3HG2 ILE 107 -24.664 24.624 -6.519 841 HD11 ILE 107 3HD1 ILE 107 -25.183 19.529 -6.388 842 HD12 ILE 107 1HD1 ILE 107 -25.960 21.083 -6.087 843 HD13 ILE 107 2HD1 ILE 107 -24.633 20.542 -5.054 844 H THR 108 H THR 108 -21.291 24.029 -5.247 845 HA THR 108 HA THR 108 -21.750 26.883 -5.732 846 HB THR 108 HB THR 108 -22.102 25.894 -3.450 847 HG1 THR 108 HG1 THR 108 -20.222 28.009 -3.786 848 HG21 THR 108 3HG2 THR 108 -19.072 25.726 -3.350 849 HG22 THR 108 1HG2 THR 108 -20.175 24.355 -3.350 850 HG23 THR 108 2HG2 THR 108 -20.169 25.481 -1.988 851 H GLN 109 H GLN 109 -19.243 24.584 -6.215 852 HA GLN 109 HA GLN 109 -17.080 26.590 -6.344 853 HB2 GLN 109 2HB GLN 109 -16.986 23.560 -6.718 854 HB3 GLN 109 3HB GLN 109 -15.590 24.627 -6.684 855 HG2 GLN 109 2HG GLN 109 -16.153 25.227 -4.338 856 HG3 GLN 109 3HG GLN 109 -17.479 24.068 -4.384 857 HE21 GLN 109 1HE2 GLN 109 -16.005 22.024 -5.902 858 HE22 GLN 109 2HE2 GLN 109 -14.867 21.353 -4.794 859 H ASN 110 H ASN 110 -15.481 25.573 -8.344 860 HA ASN 110 HA ASN 110 -16.923 26.200 -10.805 861 HB2 ASN 110 2HB ASN 110 -14.690 26.159 -11.884 862 HB3 ASN 110 3HB ASN 110 -14.754 27.263 -10.510 863 HD21 ASN 110 1HD2 ASN 110 -13.569 26.774 -8.660 864 HD22 ASN 110 2HD2 ASN 110 -12.344 25.562 -8.629 865 H LYS 111 H LYS 111 -16.582 24.928 -12.744 866 HA LYS 111 HA LYS 111 -16.905 22.055 -12.362 867 HB2 LYS 111 2HB LYS 111 -16.851 23.742 -14.923 868 HB3 LYS 111 3HB LYS 111 -17.178 22.014 -14.864 869 HG2 LYS 111 2HG LYS 111 -19.279 23.068 -15.086 870 HG3 LYS 111 3HG LYS 111 -19.182 22.535 -13.409 871 HD2 LYS 111 2HD LYS 111 -18.656 24.827 -12.693 872 HD3 LYS 111 3HD LYS 111 -18.681 25.377 -14.372 873 HE2 LYS 111 2HE LYS 111 -21.073 24.826 -14.535 874 HE3 LYS 111 3HE LYS 111 -21.056 24.196 -12.886 875 HZ1 LYS 111 3HZ LYS 111 -20.469 26.424 -12.104 876 HZ2 LYS 111 1HZ LYS 111 -21.947 26.416 -12.923 877 HZ3 LYS 111 2HZ LYS 111 -20.563 27.017 -13.681 878 H LYS 112 H LYS 112 -15.118 20.816 -12.168 879 HA LYS 112 HA LYS 112 -12.693 21.355 -13.762 880 HB2 LYS 112 2HB LYS 112 -11.271 21.057 -11.690 881 HB3 LYS 112 3HB LYS 112 -12.217 22.538 -11.715 882 HG2 LYS 112 2HG LYS 112 -13.885 21.466 -10.204 883 HG3 LYS 112 3HG LYS 112 -12.855 20.033 -10.123 884 HD2 LYS 112 2HD LYS 112 -11.033 21.425 -9.127 885 HD3 LYS 112 3HD LYS 112 -12.100 22.834 -9.186 886 HE2 LYS 112 2HE LYS 112 -12.088 21.898 -6.936 887 HE3 LYS 112 3HE LYS 112 -13.683 21.677 -7.655 888 HZ1 LYS 112 3HZ LYS 112 -12.966 19.369 -8.218 889 HZ2 LYS 112 1HZ LYS 112 -13.063 19.673 -6.560 890 HZ3 LYS 112 2HZ LYS 112 -11.558 19.622 -7.320 891 H ASP 113 H ASP 113 -14.311 19.243 -11.477 892 HA ASP 113 HA ASP 113 -14.227 17.095 -10.925 893 HB2 ASP 113 2HB ASP 113 -13.855 16.739 -13.924 894 HB3 ASP 113 3HB ASP 113 -14.221 15.426 -12.812 895 H GLY 114 H GLY 114 -11.935 16.467 -13.553 896 HA2 GLY 114 2HA GLY 114 -9.793 15.690 -13.582 897 HA3 GLY 114 3HA GLY 114 -9.490 16.869 -12.318 898 H LEU 115 H LEU 115 -11.771 14.319 -11.831 899 HA LEU 115 HA LEU 115 -10.223 13.202 -9.628 900 HB2 LEU 115 2HB LEU 115 -13.046 12.577 -10.622 901 HB3 LEU 115 3HB LEU 115 -12.344 12.015 -9.108 902 HG LEU 115 HG LEU 115 -12.868 14.938 -9.798 903 HD11 LEU 115 1HD1 LEU 115 -14.976 13.736 -9.486 904 HD12 LEU 115 2HD1 LEU 115 -14.694 14.895 -8.191 905 HD13 LEU 115 3HD1 LEU 115 -14.435 13.173 -7.904 906 HD21 LEU 115 3HD2 LEU 115 -11.900 13.690 -7.215 907 HD22 LEU 115 1HD2 LEU 115 -12.370 15.379 -7.421 908 HD23 LEU 115 2HD2 LEU 115 -10.984 14.745 -8.296 909 H GLU 116 H GLU 116 -11.140 12.494 -12.865 910 HA GLU 116 HA GLU 116 -10.779 10.905 -14.369 911 HB2 GLU 116 2HB GLU 116 -8.384 11.461 -13.818 912 HB3 GLU 116 3HB GLU 116 -8.367 10.132 -12.666 913 HG2 GLU 116 2HG GLU 116 -8.999 8.607 -14.647 914 HG3 GLU 116 3HG GLU 116 -8.609 9.975 -15.687 915 H HIS 117 H HIS 117 -12.663 9.724 -13.953 916 HA HIS 117 HA HIS 117 -12.857 7.597 -12.122 917 HB2 HIS 117 2HB HIS 117 -14.863 8.478 -13.114 918 HB3 HIS 117 3HB HIS 117 -14.322 8.085 -14.740 919 HD1 HIS 117 HD1 HIS 117 -15.040 6.170 -11.521 920 HD2 HIS 117 HD2 HIS 117 -15.456 5.772 -15.635 921 HE1 HIS 117 HE1 HIS 117 -16.112 3.932 -11.873 922 HE2 HIS 117 HE2 HIS 117 -16.225 3.653 -14.367 923 H HIS 118 H HIS 118 -12.218 5.575 -12.189 924 HA HIS 118 HA HIS 118 -11.555 4.051 -14.493 925 HB2 HIS 118 2HB HIS 118 -9.147 3.579 -13.836 926 HB3 HIS 118 3HB HIS 118 -9.412 5.190 -14.475 927 HD1 HIS 118 HD1 HIS 118 -8.584 7.098 -13.088 928 HD2 HIS 118 HD2 HIS 118 -8.684 3.536 -10.944 929 HE1 HIS 118 HE1 HIS 118 -7.452 7.589 -10.905 930 HE2 HIS 118 HE2 HIS 118 -7.694 5.480 -9.557 931 H HIS 119 H HIS 119 -11.915 1.944 -13.990 932 HA HIS 119 HA HIS 119 -11.318 0.768 -11.468 933 HB2 HIS 119 2HB HIS 119 -13.453 1.956 -10.840 934 HB3 HIS 119 3HB HIS 119 -14.303 1.062 -12.098 935 HD1 HIS 119 HD1 HIS 119 -15.678 -0.683 -10.955 936 HD2 HIS 119 HD2 HIS 119 -11.948 -0.253 -9.169 937 HE1 HIS 119 HE1 HIS 119 -15.596 -2.408 -9.131 938 HE2 HIS 119 HE2 HIS 119 -13.336 -2.122 -8.070 939 H HIS 120 H HIS 120 -10.557 -1.101 -12.170 940 HA HIS 120 HA HIS 120 -12.082 -2.704 -14.144 941 HB2 HIS 120 2HB HIS 120 -9.047 -2.489 -13.878 942 HB3 HIS 120 3HB HIS 120 -9.886 -3.646 -14.910 943 HD1 HIS 120 HD1 HIS 120 -11.248 -2.605 -16.957 944 HD2 HIS 120 HD2 HIS 120 -8.732 0.047 -14.981 945 HE1 HIS 120 HE1 HIS 120 -10.997 -0.643 -18.497 946 HE2 HIS 120 HE2 HIS 120 -9.338 0.860 -17.357 947 H HIS 121 H HIS 121 -12.905 -4.412 -13.140 948 HA HIS 121 HA HIS 121 -11.927 -5.395 -10.607 949 HB2 HIS 121 2HB HIS 121 -14.370 -5.265 -11.177 950 HB3 HIS 121 3HB HIS 121 -14.141 -6.509 -12.394 951 HD1 HIS 121 HD1 HIS 121 -14.752 -6.011 -8.800 952 HD2 HIS 121 HD2 HIS 121 -13.630 -9.151 -11.273 953 HE1 HIS 121 HE1 HIS 121 -15.060 -8.087 -7.424 954 HE2 HIS 121 HE2 HIS 121 -14.283 -9.963 -8.908 955 H HIS 122 H HIS 122 -9.846 -5.981 -11.215 956 HA HIS 122 HA HIS 122 -9.456 -8.333 -12.934 957 HB2 HIS 122 2HB HIS 122 -6.949 -7.759 -12.510 958 HB3 HIS 122 3HB HIS 122 -7.882 -6.705 -13.557 959 HD1 HIS 122 HD1 HIS 122 -7.085 -6.757 -9.821 960 HD2 HIS 122 HD2 HIS 122 -7.350 -4.104 -13.006 961 HE1 HIS 122 HE1 HIS 122 -6.552 -4.505 -8.863 962 HE2 HIS 122 HE2 HIS 122 -6.781 -2.914 -10.794 Start of MODEL 8 1 H1 MET 1 1H MET 1 21.169 -28.835 -0.562 2 H2 MET 1 2H MET 1 21.010 -30.361 0.153 3 H3 MET 1 3H MET 1 21.180 -28.984 1.115 4 HA MET 1 HA MET 1 18.929 -29.493 -0.707 5 HB2 MET 1 2HB MET 1 19.066 -31.068 1.293 6 HB3 MET 1 3HB MET 1 18.918 -29.664 2.338 7 HG2 MET 1 2HG MET 1 16.696 -29.186 1.391 8 HG3 MET 1 3HG MET 1 16.852 -30.572 0.315 9 HE1 MET 1 3HE MET 1 14.105 -31.884 2.735 10 HE2 MET 1 1HE MET 1 14.602 -31.729 1.050 11 HE3 MET 1 2HE MET 1 14.267 -30.285 2.009 12 H ILE 2 H ILE 2 17.195 -27.971 -0.448 13 HA ILE 2 HA ILE 2 17.973 -25.279 0.542 14 HB ILE 2 HB ILE 2 16.329 -26.042 -1.935 15 HG12 ILE 2 2HG1 ILE 2 18.779 -26.360 -2.263 16 HG13 ILE 2 3HG1 ILE 2 18.156 -25.073 -3.283 17 HG21 ILE 2 1HG2 ILE 2 17.026 -23.254 -0.942 18 HG22 ILE 2 2HG2 ILE 2 15.421 -23.986 -0.958 19 HG23 ILE 2 3HG2 ILE 2 16.239 -23.630 -2.479 20 HD11 ILE 2 3HD1 ILE 2 19.083 -23.410 -1.716 21 HD12 ILE 2 1HD1 ILE 2 20.320 -24.481 -2.371 22 HD13 ILE 2 2HD1 ILE 2 19.730 -24.720 -0.727 23 H GLU 3 H GLU 3 16.164 -23.960 1.358 24 HA GLU 3 HA GLU 3 13.542 -25.304 1.645 25 HB2 GLU 3 2HB GLU 3 13.182 -24.385 3.845 26 HB3 GLU 3 3HB GLU 3 14.732 -25.215 3.894 27 HG2 GLU 3 2HG GLU 3 15.942 -23.141 3.867 28 HG3 GLU 3 3HG GLU 3 14.489 -22.218 3.492 29 HA PRO 4 HA PRO 4 12.157 -21.271 0.011 30 HB2 PRO 4 2HB PRO 4 9.437 -21.727 1.049 31 HB3 PRO 4 3HB PRO 4 9.999 -21.764 -0.633 32 HG2 PRO 4 2HG PRO 4 9.162 -23.998 0.715 33 HG3 PRO 4 3HG PRO 4 10.323 -24.042 -0.629 34 HD2 PRO 4 2HD PRO 4 10.855 -24.178 2.333 35 HD3 PRO 4 3HD PRO 4 11.622 -25.074 0.999 36 H ILE 5 H ILE 5 12.685 -19.474 1.088 37 HA ILE 5 HA ILE 5 11.537 -18.859 3.768 38 HB ILE 5 HB ILE 5 13.398 -17.095 3.885 39 HG12 ILE 5 2HG1 ILE 5 14.511 -18.662 1.508 40 HG13 ILE 5 3HG1 ILE 5 13.952 -16.998 1.471 41 HG21 ILE 5 1HG2 ILE 5 13.551 -19.173 5.174 42 HG22 ILE 5 2HG2 ILE 5 15.150 -18.676 4.611 43 HG23 ILE 5 3HG2 ILE 5 14.299 -19.992 3.799 44 HD11 ILE 5 3HD1 ILE 5 16.364 -18.040 2.939 45 HD12 ILE 5 1HD1 ILE 5 15.791 -16.372 2.964 46 HD13 ILE 5 2HD1 ILE 5 16.348 -17.089 1.453 47 H LYS 6 H LYS 6 10.952 -16.507 4.042 48 HA LYS 6 HA LYS 6 10.722 -14.844 1.722 49 HB2 LYS 6 2HB LYS 6 8.362 -14.624 1.492 50 HB3 LYS 6 3HB LYS 6 8.714 -16.338 1.424 51 HG2 LYS 6 2HG LYS 6 7.662 -14.942 3.901 52 HG3 LYS 6 3HG LYS 6 6.627 -15.687 2.689 53 HD2 LYS 6 2HD LYS 6 8.701 -17.119 4.385 54 HD3 LYS 6 3HD LYS 6 6.955 -17.165 4.630 55 HE2 LYS 6 2HE LYS 6 6.778 -18.175 2.291 56 HE3 LYS 6 3HE LYS 6 8.535 -18.334 2.323 57 HZ1 LYS 6 3HZ LYS 6 6.663 -19.556 4.274 58 HZ2 LYS 6 1HZ LYS 6 8.343 -19.717 4.284 59 HZ3 LYS 6 2HZ LYS 6 7.441 -20.368 3.012 60 H ARG 7 H ARG 7 10.559 -12.748 2.178 61 HA ARG 7 HA ARG 7 10.002 -11.803 4.925 62 HB2 ARG 7 2HB ARG 7 11.545 -10.573 2.600 63 HB3 ARG 7 3HB ARG 7 11.050 -9.630 4.000 64 HG2 ARG 7 2HG ARG 7 12.397 -11.080 5.464 65 HG3 ARG 7 3HG ARG 7 12.898 -12.030 4.063 66 HD2 ARG 7 2HD ARG 7 14.639 -10.424 4.704 67 HD3 ARG 7 3HD ARG 7 13.999 -10.041 3.103 68 HE ARG 7 HE ARG 7 12.509 -8.480 4.771 69 HH11 ARG 7 1HH1 ARG 7 15.975 -8.825 4.279 70 HH12 ARG 7 2HH1 ARG 7 16.322 -7.187 4.742 71 HH21 ARG 7 1HH2 ARG 7 12.963 -6.335 5.341 72 HH22 ARG 7 2HH2 ARG 7 14.606 -5.768 5.344 73 H THR 8 H THR 8 8.619 -9.858 5.078 74 HA THR 8 HA THR 8 6.670 -9.604 2.864 75 HB THR 8 HB THR 8 6.000 -9.781 5.842 76 HG1 THR 8 HG1 THR 8 5.042 -11.694 4.084 77 HG21 THR 8 3HG2 THR 8 4.411 -8.365 4.561 78 HG22 THR 8 1HG2 THR 8 3.654 -9.873 5.081 79 HG23 THR 8 2HG2 THR 8 4.173 -9.680 3.408 80 H GLN 9 H GLN 9 7.072 -7.582 2.165 81 HA GLN 9 HA GLN 9 7.316 -5.324 4.058 82 HB2 GLN 9 2HB GLN 9 8.869 -5.545 2.082 83 HB3 GLN 9 3HB GLN 9 7.491 -5.352 1.009 84 HG2 GLN 9 2HG GLN 9 8.579 -3.251 1.089 85 HG3 GLN 9 3HG GLN 9 7.130 -3.066 2.073 86 HE21 GLN 9 1HE2 GLN 9 9.823 -1.726 2.046 87 HE22 GLN 9 2HE2 GLN 9 10.362 -1.778 3.679 88 H VAL 10 H VAL 10 5.460 -4.259 4.592 89 HA VAL 10 HA VAL 10 3.106 -4.489 2.810 90 HB VAL 10 HB VAL 10 1.681 -4.031 4.771 91 HG11 VAL 10 1HG1 VAL 10 2.006 -6.207 5.937 92 HG12 VAL 10 2HG1 VAL 10 3.596 -6.363 5.186 93 HG13 VAL 10 3HG1 VAL 10 2.142 -6.363 4.186 94 HG21 VAL 10 3HG2 VAL 10 4.242 -4.062 6.425 95 HG22 VAL 10 1HG2 VAL 10 2.601 -4.033 7.078 96 HG23 VAL 10 2HG2 VAL 10 3.203 -2.665 6.140 97 H VAL 11 H VAL 11 2.211 -2.734 1.948 98 HA VAL 11 HA VAL 11 3.218 -0.036 2.634 99 HB VAL 11 HB VAL 11 1.637 -1.027 0.207 100 HG11 VAL 11 1HG1 VAL 11 1.889 1.269 -0.718 101 HG12 VAL 11 2HG1 VAL 11 2.591 1.801 0.810 102 HG13 VAL 11 3HG1 VAL 11 0.914 1.257 0.754 103 HG21 VAL 11 3HG2 VAL 11 3.681 -0.474 -1.070 104 HG22 VAL 11 1HG2 VAL 11 4.016 -1.673 0.182 105 HG23 VAL 11 2HG2 VAL 11 4.486 0.010 0.425 106 H THR 12 H THR 12 2.047 0.747 4.287 107 HA THR 12 HA THR 12 -0.847 0.191 4.444 108 HB THR 12 HB THR 12 1.065 1.118 6.638 109 HG1 THR 12 HG1 THR 12 0.016 -1.472 6.044 110 HG21 THR 12 3HG2 THR 12 -1.296 1.734 7.075 111 HG22 THR 12 1HG2 THR 12 -0.736 0.479 8.185 112 HG23 THR 12 2HG2 THR 12 -1.774 0.052 6.823 113 H GLN 13 H GLN 13 -2.079 1.832 3.730 114 HA GLN 13 HA GLN 13 -1.345 4.657 4.346 115 HB2 GLN 13 2HB GLN 13 -3.521 3.554 2.506 116 HB3 GLN 13 3HB GLN 13 -3.198 5.262 2.772 117 HG2 GLN 13 2HG GLN 13 -1.251 3.306 1.537 118 HG3 GLN 13 3HG GLN 13 -2.299 4.389 0.628 119 HE21 GLN 13 1HE2 GLN 13 0.634 4.163 0.724 120 HE22 GLN 13 2HE2 GLN 13 1.212 5.736 1.131 121 H THR 14 H THR 14 -2.336 5.542 6.087 122 HA THR 14 HA THR 14 -4.767 4.346 7.260 123 HB THR 14 HB THR 14 -3.020 6.677 8.229 124 HG1 THR 14 HG1 THR 14 -2.205 4.330 8.151 125 HG21 THR 14 3HG2 THR 14 -4.131 6.408 10.398 126 HG22 THR 14 1HG2 THR 14 -5.126 5.098 9.757 127 HG23 THR 14 2HG2 THR 14 -5.339 6.741 9.157 128 H ILE 15 H ILE 15 -6.581 5.040 6.077 129 HA ILE 15 HA ILE 15 -6.557 7.698 4.834 130 HB ILE 15 HB ILE 15 -8.655 5.491 4.512 131 HG12 ILE 15 2HG1 ILE 15 -7.857 5.432 2.122 132 HG13 ILE 15 3HG1 ILE 15 -6.584 6.567 2.532 133 HG21 ILE 15 1HG2 ILE 15 -8.500 8.227 3.171 134 HG22 ILE 15 2HG2 ILE 15 -9.720 7.705 4.332 135 HG23 ILE 15 3HG2 ILE 15 -9.644 6.950 2.742 136 HD11 ILE 15 3HD1 ILE 15 -6.857 3.776 3.615 137 HD12 ILE 15 1HD1 ILE 15 -5.546 4.912 3.949 138 HD13 ILE 15 2HD1 ILE 15 -5.784 4.295 2.314 139 H HIS 16 H HIS 16 -7.447 9.376 5.665 140 HA HIS 16 HA HIS 16 -9.570 9.244 7.721 141 HB2 HIS 16 2HB HIS 16 -7.676 11.582 7.165 142 HB3 HIS 16 3HB HIS 16 -8.757 11.396 8.540 143 HD1 HIS 16 HD1 HIS 16 -7.752 10.377 10.607 144 HD2 HIS 16 HD2 HIS 16 -5.376 9.760 7.268 145 HE1 HIS 16 HE1 HIS 16 -5.661 9.309 11.456 146 HE2 HIS 16 HE2 HIS 16 -4.182 9.104 9.454 147 H TYR 17 H TYR 17 -11.469 9.518 6.569 148 HA TYR 17 HA TYR 17 -11.649 11.253 4.239 149 HB2 TYR 17 2HB TYR 17 -13.919 9.924 5.797 150 HB3 TYR 17 3HB TYR 17 -14.032 10.663 4.202 151 HD1 TYR 17 HD1 TYR 17 -12.565 9.619 2.321 152 HD2 TYR 17 HD2 TYR 17 -13.471 7.608 5.959 153 HE1 TYR 17 HE1 TYR 17 -11.990 7.477 1.273 154 HE2 TYR 17 HE2 TYR 17 -12.911 5.467 4.909 155 HH TYR 17 HH TYR 17 -11.329 5.242 1.881 156 H ARG 18 H ARG 18 -11.759 13.373 4.505 157 HA ARG 18 HA ARG 18 -13.086 14.593 6.861 158 HB2 ARG 18 2HB ARG 18 -10.391 15.368 5.648 159 HB3 ARG 18 3HB ARG 18 -11.240 16.320 6.856 160 HG2 ARG 18 2HG ARG 18 -10.174 13.510 7.259 161 HG3 ARG 18 3HG ARG 18 -9.423 14.994 7.855 162 HD2 ARG 18 2HD ARG 18 -11.522 15.444 9.178 163 HD3 ARG 18 3HD ARG 18 -12.122 13.866 8.664 164 HE ARG 18 HE ARG 18 -10.353 12.830 9.903 165 HH11 ARG 18 1HH1 ARG 18 -10.804 16.236 10.577 166 HH12 ARG 18 2HH1 ARG 18 -10.019 16.157 12.121 167 HH21 ARG 18 1HH2 ARG 18 -9.361 12.730 11.934 168 HH22 ARG 18 2HH2 ARG 18 -9.193 14.170 12.890 169 H TYR 19 H TYR 19 -13.826 16.784 6.456 170 HA TYR 19 HA TYR 19 -14.536 17.348 3.668 171 HB2 TYR 19 2HB TYR 19 -15.273 18.794 6.256 172 HB3 TYR 19 3HB TYR 19 -15.887 19.213 4.658 173 HD1 TYR 19 HD2 TYR 19 -17.434 17.621 3.456 174 HD2 TYR 19 HD1 TYR 19 -16.214 16.931 7.487 175 HE1 TYR 19 HE2 TYR 19 -19.278 16.018 3.755 176 HE2 TYR 19 HE1 TYR 19 -18.047 15.339 7.784 177 HH TYR 19 HH TYR 19 -20.237 14.850 6.791 178 H GLU 20 H GLU 20 -14.328 19.749 3.026 179 HA GLU 20 HA GLU 20 -11.643 20.696 3.166 180 HB2 GLU 20 2HB GLU 20 -12.537 22.752 2.034 181 HB3 GLU 20 3HB GLU 20 -12.975 21.252 1.219 182 HG2 GLU 20 2HG GLU 20 -15.226 21.413 1.834 183 HG3 GLU 20 3HG GLU 20 -14.883 22.465 3.197 184 H ASP 21 H ASP 21 -14.493 21.278 5.043 185 HA ASP 21 HA ASP 21 -13.645 23.459 6.661 186 HB2 ASP 21 2HB ASP 21 -15.992 22.830 6.417 187 HB3 ASP 21 3HB ASP 21 -15.680 21.217 7.036 188 H GLY 22 H GLY 22 -12.761 20.112 6.573 189 HA2 GLY 22 2HA GLY 22 -10.926 19.157 7.693 190 HA3 GLY 22 3HA GLY 22 -11.043 20.387 8.942 191 H ALA 23 H ALA 23 -14.122 19.319 8.432 192 HA ALA 23 HA ALA 23 -14.283 17.975 10.944 193 HB1 ALA 23 3HB ALA 23 -16.110 19.391 10.124 194 HB2 ALA 23 1HB ALA 23 -16.694 17.747 10.393 195 HB3 ALA 23 2HB ALA 23 -16.361 18.313 8.750 196 H VAL 24 H VAL 24 -14.996 15.820 11.326 197 HA VAL 24 HA VAL 24 -13.746 13.833 9.673 198 HB VAL 24 HB VAL 24 -15.557 13.464 12.112 199 HG11 VAL 24 1HG1 VAL 24 -14.536 11.210 12.305 200 HG12 VAL 24 2HG1 VAL 24 -13.641 11.486 10.810 201 HG13 VAL 24 3HG1 VAL 24 -15.401 11.395 10.777 202 HG21 VAL 24 3HG2 VAL 24 -12.515 13.577 11.967 203 HG22 VAL 24 1HG2 VAL 24 -13.465 13.242 13.419 204 HG23 VAL 24 2HG2 VAL 24 -13.565 14.823 12.642 205 H ALA 25 H ALA 25 -14.677 13.223 7.798 206 HA ALA 25 HA ALA 25 -17.545 12.823 7.472 207 HB1 ALA 25 3HB ALA 25 -16.941 12.011 5.221 208 HB2 ALA 25 1HB ALA 25 -15.227 12.098 5.645 209 HB3 ALA 25 2HB ALA 25 -16.191 13.573 5.557 210 H HIS 26 H HIS 26 -14.593 10.816 7.672 211 HA HIS 26 HA HIS 26 -15.677 8.944 9.482 212 HB2 HIS 26 2HB HIS 26 -16.850 8.144 7.366 213 HB3 HIS 26 3HB HIS 26 -15.273 7.790 6.675 214 HD1 HIS 26 HD1 HIS 26 -17.623 6.653 9.389 215 HD2 HIS 26 HD2 HIS 26 -14.158 5.384 7.489 216 HE1 HIS 26 HE1 HIS 26 -17.257 4.298 10.157 217 HE2 HIS 26 HE2 HIS 26 -15.025 3.665 9.207 218 H ASP 27 H ASP 27 -13.857 8.035 10.571 219 HA ASP 27 HA ASP 27 -11.218 8.552 9.289 220 HB2 ASP 27 2HB ASP 27 -12.090 10.462 10.790 221 HB3 ASP 27 3HB ASP 27 -11.920 9.357 12.145 222 H ASP 28 H ASP 28 -10.966 6.234 9.053 223 HA ASP 28 HA ASP 28 -9.460 4.982 11.046 224 HB2 ASP 28 2HB ASP 28 -10.954 3.072 11.752 225 HB3 ASP 28 3HB ASP 28 -11.491 4.631 12.354 226 H HIS 29 H HIS 29 -10.228 5.144 7.850 227 HA HIS 29 HA HIS 29 -10.377 2.264 7.313 228 HB2 HIS 29 2HB HIS 29 -10.806 4.716 5.596 229 HB3 HIS 29 3HB HIS 29 -10.447 3.176 4.815 230 HD1 HIS 29 HD1 HIS 29 -12.933 3.510 3.834 231 HD2 HIS 29 HD2 HIS 29 -12.670 2.709 7.902 232 HE1 HIS 29 HE1 HIS 29 -15.213 2.747 4.531 233 HE2 HIS 29 HE2 HIS 29 -14.981 2.091 6.930 234 H VAL 30 H VAL 30 -8.385 1.588 7.996 235 HA VAL 30 HA VAL 30 -5.960 2.561 6.646 236 HB VAL 30 HB VAL 30 -6.236 0.494 8.893 237 HG11 VAL 30 1HG1 VAL 30 -3.833 0.917 9.268 238 HG12 VAL 30 2HG1 VAL 30 -3.808 2.034 7.902 239 HG13 VAL 30 3HG1 VAL 30 -4.129 0.320 7.632 240 HG21 VAL 30 3HG2 VAL 30 -7.121 2.658 9.659 241 HG22 VAL 30 1HG2 VAL 30 -5.647 3.472 9.129 242 HG23 VAL 30 2HG2 VAL 30 -5.586 2.310 10.456 243 H VAL 31 H VAL 31 -5.360 1.528 4.819 244 HA VAL 31 HA VAL 31 -6.022 -1.332 4.392 245 HB VAL 31 HB VAL 31 -7.046 0.229 2.729 246 HG11 VAL 31 1HG1 VAL 31 -5.679 1.461 1.095 247 HG12 VAL 31 2HG1 VAL 31 -4.206 0.965 1.929 248 HG13 VAL 31 3HG1 VAL 31 -5.363 2.023 2.740 249 HG21 VAL 31 3HG2 VAL 31 -6.338 -0.964 0.677 250 HG22 VAL 31 1HG2 VAL 31 -6.531 -2.076 2.035 251 HG23 VAL 31 2HG2 VAL 31 -4.916 -1.585 1.518 252 H SER 32 H SER 32 -4.340 -2.671 3.558 253 HA SER 32 HA SER 32 -1.593 -1.629 3.457 254 HB2 SER 32 2HB SER 32 -2.395 -4.041 5.153 255 HB3 SER 32 3HB SER 32 -0.763 -3.393 4.947 256 HG SER 32 HG SER 32 -2.973 -2.088 6.147 257 H LEU 33 H LEU 33 -0.404 -2.601 1.855 258 HA LEU 33 HA LEU 33 -1.550 -4.950 0.451 259 HB2 LEU 33 2HB LEU 33 0.597 -3.001 -0.465 260 HB3 LEU 33 3HB LEU 33 0.039 -4.392 -1.380 261 HG LEU 33 HG LEU 33 -1.453 -1.832 -0.787 262 HD11 LEU 33 1HD1 LEU 33 0.070 -1.771 -2.682 263 HD12 LEU 33 2HD1 LEU 33 -1.597 -1.710 -3.241 264 HD13 LEU 33 3HD1 LEU 33 -0.684 -3.212 -3.375 265 HD21 LEU 33 3HD2 LEU 33 -3.439 -2.789 -1.911 266 HD22 LEU 33 1HD2 LEU 33 -3.071 -3.628 -0.403 267 HD23 LEU 33 2HD2 LEU 33 -2.657 -4.372 -1.948 268 H ILE 34 H ILE 34 -0.613 -6.843 0.758 269 HA ILE 34 HA ILE 34 1.894 -7.074 2.231 270 HB ILE 34 HB ILE 34 -0.254 -9.084 1.437 271 HG12 ILE 34 2HG1 ILE 34 -0.335 -9.390 4.015 272 HG13 ILE 34 3HG1 ILE 34 0.687 -7.972 4.123 273 HG21 ILE 34 1HG2 ILE 34 1.026 -10.861 2.618 274 HG22 ILE 34 2HG2 ILE 34 2.378 -9.748 2.804 275 HG23 ILE 34 3HG2 ILE 34 1.884 -10.262 1.194 276 HD11 ILE 34 3HD1 ILE 34 -1.654 -7.445 4.536 277 HD12 ILE 34 1HD1 ILE 34 -2.089 -8.048 2.936 278 HD13 ILE 34 2HD1 ILE 34 -1.067 -6.619 3.094 279 H PHE 35 H PHE 35 3.653 -6.874 0.986 280 HA PHE 35 HA PHE 35 3.869 -8.275 -1.610 281 HB2 PHE 35 2HB PHE 35 5.641 -6.115 -0.373 282 HB3 PHE 35 3HB PHE 35 5.929 -6.889 -1.926 283 HD1 PHE 35 HD2 PHE 35 4.483 -6.423 -3.868 284 HD2 PHE 35 HD1 PHE 35 3.888 -4.430 -0.131 285 HE1 PHE 35 HE2 PHE 35 3.113 -4.715 -4.989 286 HE2 PHE 35 HE1 PHE 35 2.527 -2.733 -1.268 287 HZ PHE 35 HZ PHE 35 2.146 -2.865 -3.685 288 H THR 36 H THR 36 4.427 -10.326 -1.174 289 HA THR 36 HA THR 36 6.344 -10.952 0.972 290 HB THR 36 HB THR 36 4.551 -12.808 -0.657 291 HG1 THR 36 HG1 THR 36 3.453 -11.278 0.721 292 HG21 THR 36 3HG2 THR 36 6.480 -14.004 0.324 293 HG22 THR 36 1HG2 THR 36 4.987 -14.437 1.159 294 HG23 THR 36 2HG2 THR 36 6.118 -13.307 1.905 295 H GLN 37 H GLN 37 8.393 -10.656 0.157 296 HA GLN 37 HA GLN 37 9.168 -11.769 -2.421 297 HB2 GLN 37 2HB GLN 37 10.249 -9.689 -1.724 298 HB3 GLN 37 3HB GLN 37 10.863 -10.457 -0.260 299 HG2 GLN 37 2HG GLN 37 12.260 -11.971 -1.621 300 HG3 GLN 37 3HG GLN 37 11.615 -11.262 -3.097 301 HE21 GLN 37 1HE2 GLN 37 11.724 -8.517 -2.114 302 HE22 GLN 37 2HE2 GLN 37 13.397 -8.096 -2.083 303 H SER 38 H SER 38 9.002 -13.970 -2.333 304 HA SER 38 HA SER 38 10.247 -15.510 -0.228 305 HB2 SER 38 2HB SER 38 8.256 -16.336 -1.524 306 HB3 SER 38 3HB SER 38 9.283 -16.470 -2.948 307 HG SER 38 HG SER 38 10.616 -17.764 -1.194 308 H GLY 39 H GLY 39 12.246 -16.169 -0.188 309 HA2 GLY 39 2HA GLY 39 13.952 -16.262 -2.626 310 HA3 GLY 39 3HA GLY 39 14.556 -15.895 -1.005 311 H LYS 40 H LYS 40 15.985 -17.727 -1.523 312 HA LYS 40 HA LYS 40 14.820 -20.239 -0.528 313 HB2 LYS 40 2HB LYS 40 16.030 -21.559 -2.194 314 HB3 LYS 40 3HB LYS 40 14.976 -20.421 -3.003 315 HG2 LYS 40 2HG LYS 40 16.836 -20.207 -4.334 316 HG3 LYS 40 3HG LYS 40 17.221 -18.967 -3.141 317 HD2 LYS 40 2HD LYS 40 18.647 -20.627 -1.923 318 HD3 LYS 40 3HD LYS 40 18.281 -21.828 -3.162 319 HE2 LYS 40 2HE LYS 40 19.744 -19.211 -3.590 320 HE3 LYS 40 3HE LYS 40 20.476 -20.811 -3.549 321 HZ1 LYS 40 3HZ LYS 40 18.557 -19.793 -5.560 322 HZ2 LYS 40 1HZ LYS 40 19.131 -21.385 -5.497 323 HZ3 LYS 40 2HZ LYS 40 20.198 -20.110 -5.790 324 H ARG 41 H ARG 41 16.154 -21.305 0.931 325 HA ARG 41 HA ARG 41 18.661 -19.901 1.676 326 HB2 ARG 41 2HB ARG 41 16.886 -19.723 3.389 327 HB3 ARG 41 3HB ARG 41 16.745 -21.476 3.444 328 HG2 ARG 41 2HG ARG 41 19.163 -21.551 4.208 329 HG3 ARG 41 3HG ARG 41 19.105 -19.792 4.338 330 HD2 ARG 41 2HD ARG 41 17.345 -21.741 5.857 331 HD3 ARG 41 3HD ARG 41 18.740 -20.885 6.517 332 HE ARG 41 HE ARG 41 16.890 -19.026 5.454 333 HH11 ARG 41 2HH1 ARG 41 17.195 -21.172 8.243 334 HH12 ARG 41 1HH1 ARG 41 16.170 -20.189 9.236 335 HH21 ARG 41 1HH2 ARG 41 15.572 -17.775 6.774 336 HH22 ARG 41 2HH2 ARG 41 15.255 -18.271 8.409 337 H ASP 42 H ASP 42 20.420 -21.014 1.328 338 HA ASP 42 HA ASP 42 20.627 -23.808 0.746 339 HB2 ASP 42 2HB ASP 42 22.238 -22.125 -0.096 340 HB3 ASP 42 3HB ASP 42 22.705 -21.714 1.543 341 H LEU 43 H LEU 43 20.411 -25.372 2.255 342 HA LEU 43 HA LEU 43 20.161 -24.711 5.035 343 HB2 LEU 43 2HB LEU 43 19.881 -27.315 3.513 344 HB3 LEU 43 3HB LEU 43 19.682 -27.223 5.257 345 HG LEU 43 HG LEU 43 17.985 -25.751 3.204 346 HD11 LEU 43 1HD1 LEU 43 17.501 -28.142 3.256 347 HD12 LEU 43 2HD1 LEU 43 16.168 -27.227 3.953 348 HD13 LEU 43 3HD1 LEU 43 17.290 -28.091 5.010 349 HD21 LEU 43 3HD2 LEU 43 18.221 -24.386 5.198 350 HD22 LEU 43 1HD2 LEU 43 17.812 -25.756 6.236 351 HD23 LEU 43 2HD2 LEU 43 16.600 -25.073 5.150 352 H THR 44 H THR 44 22.823 -25.953 3.182 353 HA THR 44 HA THR 44 24.002 -27.386 5.430 354 HB THR 44 HB THR 44 24.405 -28.464 3.354 355 HG1 THR 44 HG1 THR 44 26.223 -28.595 4.631 356 HG21 THR 44 3HG2 THR 44 24.051 -26.596 1.808 357 HG22 THR 44 1HG2 THR 44 25.551 -27.447 1.431 358 HG23 THR 44 2HG2 THR 44 25.604 -25.897 2.273 359 H ASN 45 H ASN 45 24.788 -24.394 3.587 360 HA ASN 45 HA ASN 45 26.757 -23.570 5.595 361 HB2 ASN 45 2HB ASN 45 27.121 -23.065 3.173 362 HB3 ASN 45 3HB ASN 45 25.703 -22.022 3.174 363 HD21 ASN 45 1HD2 ASN 45 25.841 -19.999 4.291 364 HD22 ASN 45 2HD2 ASN 45 27.363 -19.298 4.702 365 H GLY 46 H GLY 46 23.407 -22.953 4.799 366 HA2 GLY 46 2HA GLY 46 21.744 -22.143 6.212 367 HA3 GLY 46 3HA GLY 46 22.963 -21.609 7.360 368 H LYS 47 H LYS 47 23.151 -20.747 3.974 369 HA LYS 47 HA LYS 47 22.931 -17.898 4.680 370 HB2 LYS 47 2HB LYS 47 23.972 -17.508 2.419 371 HB3 LYS 47 3HB LYS 47 24.977 -18.434 3.527 372 HG2 LYS 47 2HG LYS 47 24.359 -20.514 2.376 373 HG3 LYS 47 3HG LYS 47 23.323 -19.610 1.273 374 HD2 LYS 47 2HD LYS 47 26.343 -19.280 1.518 375 HD3 LYS 47 3HD LYS 47 25.517 -20.188 0.249 376 HE2 LYS 47 2HE LYS 47 24.400 -18.103 -0.502 377 HE3 LYS 47 3HE LYS 47 25.247 -17.204 0.758 378 HZ1 LYS 47 3HZ LYS 47 26.365 -16.950 -1.334 379 HZ2 LYS 47 1HZ LYS 47 26.495 -18.623 -1.527 380 HZ3 LYS 47 2HZ LYS 47 27.349 -17.848 -0.294 381 H GLU 48 H GLU 48 21.524 -16.485 3.642 382 HA GLU 48 HA GLU 48 19.157 -17.728 2.373 383 HB2 GLU 48 2HB GLU 48 19.500 -15.163 3.971 384 HB3 GLU 48 3HB GLU 48 17.996 -15.624 3.169 385 HG2 GLU 48 2HG GLU 48 17.923 -17.691 4.539 386 HG3 GLU 48 3HG GLU 48 19.388 -17.173 5.358 387 H ILE 49 H ILE 49 19.126 -17.500 0.270 388 HA ILE 49 HA ILE 49 20.299 -15.124 -1.062 389 HB ILE 49 HB ILE 49 19.686 -17.819 -2.384 390 HG12 ILE 49 2HG1 ILE 49 22.325 -17.959 -2.468 391 HG13 ILE 49 3HG1 ILE 49 22.274 -16.831 -1.123 392 HG21 ILE 49 1HG2 ILE 49 21.066 -16.932 -4.253 393 HG22 ILE 49 2HG2 ILE 49 21.239 -15.403 -3.393 394 HG23 ILE 49 3HG2 ILE 49 19.647 -15.930 -3.942 395 HD11 ILE 49 3HD1 ILE 49 21.017 -18.445 0.202 396 HD12 ILE 49 1HD1 ILE 49 22.532 -19.136 -0.377 397 HD13 ILE 49 2HD1 ILE 49 21.012 -19.573 -1.157 398 H TRP 50 H TRP 50 18.671 -13.714 -1.340 399 HA TRP 50 HA TRP 50 15.904 -14.580 -1.691 400 HB2 TRP 50 2HB TRP 50 17.100 -11.784 -1.396 401 HB3 TRP 50 3HB TRP 50 15.385 -12.194 -1.318 402 HD1 TRP 50 HD1 TRP 50 18.589 -12.309 0.792 403 HE1 TRP 50 HE1 TRP 50 17.976 -12.989 3.195 404 HE3 TRP 50 HE3 TRP 50 13.716 -13.562 0.033 405 HZ2 TRP 50 HZ2 TRP 50 15.715 -13.930 4.580 406 HZ3 TRP 50 HZ3 TRP 50 12.402 -14.346 1.932 407 HH2 TRP 50 HH2 TRP 50 13.364 -14.529 4.166 408 H ASP 51 H ASP 51 14.588 -13.806 -3.435 409 HA ASP 51 HA ASP 51 15.938 -13.888 -5.979 410 HB2 ASP 51 2HB ASP 51 13.768 -15.051 -5.624 411 HB3 ASP 51 3HB ASP 51 12.980 -13.505 -5.330 412 H SER 52 H SER 52 17.003 -12.103 -6.535 413 HA SER 52 HA SER 52 16.222 -9.403 -5.962 414 HB2 SER 52 2HB SER 52 18.157 -8.815 -7.453 415 HB3 SER 52 3HB SER 52 18.588 -9.983 -6.208 416 HG SER 52 HG SER 52 18.536 -11.611 -7.721 417 H LYS 53 H LYS 53 15.421 -11.669 -8.454 418 HA LYS 53 HA LYS 53 14.532 -9.690 -10.408 419 HB2 LYS 53 2HB LYS 53 14.100 -12.712 -10.365 420 HB3 LYS 53 3HB LYS 53 13.856 -11.642 -11.742 421 HG2 LYS 53 2HG LYS 53 16.291 -11.163 -11.802 422 HG3 LYS 53 3HG LYS 53 16.525 -12.232 -10.419 423 HD2 LYS 53 2HD LYS 53 17.130 -13.415 -12.460 424 HD3 LYS 53 3HD LYS 53 15.681 -14.141 -11.767 425 HE2 LYS 53 2HE LYS 53 15.421 -13.988 -14.178 426 HE3 LYS 53 3HE LYS 53 14.302 -12.860 -13.414 427 HZ1 LYS 53 3HZ LYS 53 15.934 -11.087 -13.857 428 HZ2 LYS 53 1HZ LYS 53 15.355 -11.807 -15.271 429 HZ3 LYS 53 2HZ LYS 53 16.895 -12.195 -14.694 430 H TRP 54 H TRP 54 13.297 -10.769 -7.513 431 HA TRP 54 HA TRP 54 10.551 -11.205 -8.051 432 HB2 TRP 54 2HB TRP 54 11.581 -11.857 -5.919 433 HB3 TRP 54 3HB TRP 54 11.963 -10.182 -5.543 434 HD1 TRP 54 HD1 TRP 54 9.028 -12.650 -5.562 435 HE1 TRP 54 HE1 TRP 54 7.093 -11.637 -4.207 436 HE3 TRP 54 HE3 TRP 54 10.902 -7.972 -4.825 437 HZ2 TRP 54 HZ2 TRP 54 6.450 -9.197 -2.991 438 HZ3 TRP 54 HZ3 TRP 54 9.572 -6.350 -3.560 439 HH2 TRP 54 HH2 TRP 54 7.388 -6.946 -2.661 440 H SER 55 H SER 55 8.975 -9.791 -8.543 441 HA SER 55 HA SER 55 8.912 -7.107 -7.460 442 HB2 SER 55 2HB SER 55 8.422 -6.104 -9.749 443 HB3 SER 55 3HB SER 55 10.089 -6.625 -9.529 444 HG SER 55 HG SER 55 8.606 -8.652 -10.524 445 H LEU 56 H LEU 56 6.978 -7.298 -6.434 446 HA LEU 56 HA LEU 56 4.840 -8.880 -7.712 447 HB2 LEU 56 2HB LEU 56 5.422 -9.488 -5.388 448 HB3 LEU 56 3HB LEU 56 5.057 -7.855 -4.855 449 HG LEU 56 HG LEU 56 2.659 -8.192 -5.507 450 HD11 LEU 56 1HD1 LEU 56 1.813 -10.440 -6.042 451 HD12 LEU 56 2HD1 LEU 56 3.468 -11.050 -6.115 452 HD13 LEU 56 3HD1 LEU 56 2.919 -9.841 -7.278 453 HD21 LEU 56 3HD2 LEU 56 3.732 -10.261 -3.561 454 HD22 LEU 56 1HD2 LEU 56 2.051 -9.725 -3.668 455 HD23 LEU 56 2HD2 LEU 56 3.307 -8.588 -3.191 456 H THR 57 H THR 57 3.251 -7.873 -8.678 457 HA THR 57 HA THR 57 2.653 -5.040 -8.177 458 HB THR 57 HB THR 57 1.621 -6.972 -10.313 459 HG1 THR 57 HG1 THR 57 3.498 -4.834 -10.520 460 HG21 THR 57 3HG2 THR 57 0.016 -5.155 -9.865 461 HG22 THR 57 1HG2 THR 57 0.763 -4.962 -11.452 462 HG23 THR 57 2HG2 THR 57 1.297 -3.964 -10.095 463 H GLN 58 H GLN 58 1.288 -4.781 -6.503 464 HA GLN 58 HA GLN 58 -0.975 -6.649 -6.075 465 HB2 GLN 58 2HB GLN 58 0.873 -6.429 -4.259 466 HB3 GLN 58 3HB GLN 58 0.259 -4.807 -3.970 467 HG2 GLN 58 2HG GLN 58 -0.648 -6.349 -2.335 468 HG3 GLN 58 3HG GLN 58 -1.947 -5.766 -3.376 469 HE21 GLN 58 1HE2 GLN 58 0.387 -8.289 -4.289 470 HE22 GLN 58 2HE2 GLN 58 -0.773 -9.561 -4.354 471 H THR 59 H THR 59 -2.981 -5.775 -6.014 472 HA THR 59 HA THR 59 -3.427 -3.338 -7.410 473 HB THR 59 HB THR 59 -5.419 -5.131 -5.945 474 HG1 THR 59 HG1 THR 59 -4.671 -5.274 -8.686 475 HG21 THR 59 3HG2 THR 59 -6.388 -2.979 -6.661 476 HG22 THR 59 1HG2 THR 59 -7.039 -4.316 -7.611 477 HG23 THR 59 2HG2 THR 59 -5.804 -3.261 -8.302 478 H PHE 60 H PHE 60 -3.424 -1.312 -6.496 479 HA PHE 60 HA PHE 60 -4.321 -0.963 -3.684 480 HB2 PHE 60 2HB PHE 60 -1.891 -0.184 -4.715 481 HB3 PHE 60 3HB PHE 60 -2.812 1.289 -4.978 482 HD1 PHE 60 HD2 PHE 60 -4.124 -0.327 -2.079 483 HD2 PHE 60 HD1 PHE 60 -0.769 1.973 -3.417 484 HE1 PHE 60 HE2 PHE 60 -3.567 0.229 0.248 485 HE2 PHE 60 HE1 PHE 60 -0.233 2.516 -1.088 486 HZ PHE 60 HZ PHE 60 -1.604 1.630 0.738 487 H GLU 61 H GLU 61 -6.479 -0.792 -4.141 488 HA GLU 61 HA GLU 61 -7.525 1.772 -4.472 489 HB2 GLU 61 2HB GLU 61 -8.962 1.356 -6.538 490 HB3 GLU 61 3HB GLU 61 -7.254 1.642 -6.837 491 HG2 GLU 61 2HG GLU 61 -7.737 -0.065 -8.330 492 HG3 GLU 61 3HG GLU 61 -7.055 -0.941 -6.969 493 H ALA 62 H ALA 62 -10.209 0.979 -5.196 494 HA ALA 62 HA ALA 62 -12.111 0.009 -4.447 495 HB1 ALA 62 3HB ALA 62 -11.013 -2.166 -4.868 496 HB2 ALA 62 1HB ALA 62 -12.108 -2.243 -3.481 497 HB3 ALA 62 2HB ALA 62 -10.364 -2.152 -3.230 498 H LEU 63 H LEU 63 -10.237 1.789 -2.660 499 HA LEU 63 HA LEU 63 -10.989 1.312 0.029 500 HB2 LEU 63 2HB LEU 63 -9.848 3.684 -1.448 501 HB3 LEU 63 3HB LEU 63 -10.540 3.968 0.138 502 HG LEU 63 HG LEU 63 -8.116 3.672 0.319 503 HD11 LEU 63 1HD1 LEU 63 -9.502 2.936 2.214 504 HD12 LEU 63 2HD1 LEU 63 -8.044 1.957 2.079 505 HD13 LEU 63 3HD1 LEU 63 -9.593 1.308 1.537 506 HD21 LEU 63 3HD2 LEU 63 -7.704 2.268 -1.660 507 HD22 LEU 63 1HD2 LEU 63 -8.508 0.901 -0.879 508 HD23 LEU 63 2HD2 LEU 63 -6.999 1.536 -0.221 509 HA PRO 64 HA PRO 64 -15.343 2.493 -0.567 510 HB2 PRO 64 2HB PRO 64 -16.248 1.878 1.960 511 HB3 PRO 64 3HB PRO 64 -15.903 0.638 0.737 512 HG2 PRO 64 2HG PRO 64 -14.225 1.513 3.053 513 HG3 PRO 64 3HG PRO 64 -14.496 -0.121 2.415 514 HD2 PRO 64 2HD PRO 64 -12.237 1.351 1.881 515 HD3 PRO 64 3HD PRO 64 -12.877 0.100 0.795 516 H SER 65 H SER 65 -14.747 4.677 -0.878 517 HA SER 65 HA SER 65 -14.670 6.505 1.392 518 HB2 SER 65 2HB SER 65 -14.325 8.242 -0.412 519 HB3 SER 65 3HB SER 65 -13.130 6.946 -0.447 520 HG SER 65 HG SER 65 -13.712 6.649 -2.404 521 HA PRO 66 HA PRO 66 -19.135 6.984 1.282 522 HB2 PRO 66 2HB PRO 66 -19.345 9.394 2.659 523 HB3 PRO 66 3HB PRO 66 -19.095 7.828 3.450 524 HG2 PRO 66 2HG PRO 66 -17.083 9.945 2.797 525 HG3 PRO 66 3HG PRO 66 -17.231 8.945 4.263 526 HD2 PRO 66 2HD PRO 66 -15.413 8.374 2.333 527 HD3 PRO 66 3HD PRO 66 -16.216 7.099 3.270 528 H VAL 67 H VAL 67 -20.072 7.507 -0.600 529 HA VAL 67 HA VAL 67 -19.350 9.740 -2.245 530 HB VAL 67 HB VAL 67 -21.816 7.929 -2.273 531 HG11 VAL 67 1HG1 VAL 67 -22.321 10.070 -3.384 532 HG12 VAL 67 2HG1 VAL 67 -22.270 8.748 -4.549 533 HG13 VAL 67 3HG1 VAL 67 -20.914 9.869 -4.429 534 HG21 VAL 67 3HG2 VAL 67 -20.691 6.772 -4.167 535 HG22 VAL 67 1HG2 VAL 67 -19.729 6.696 -2.687 536 HG23 VAL 67 2HG2 VAL 67 -19.288 7.826 -3.968 537 H ILE 68 H ILE 68 -19.565 11.652 -1.243 538 HA ILE 68 HA ILE 68 -22.034 12.366 0.201 539 HB ILE 68 HB ILE 68 -19.411 13.948 0.085 540 HG12 ILE 68 2HG1 ILE 68 -20.298 12.023 2.294 541 HG13 ILE 68 3HG1 ILE 68 -19.023 11.691 1.129 542 HG21 ILE 68 1HG2 ILE 68 -21.763 14.112 2.013 543 HG22 ILE 68 2HG2 ILE 68 -21.422 15.251 0.706 544 HG23 ILE 68 3HG2 ILE 68 -20.309 15.114 2.071 545 HD11 ILE 68 3HD1 ILE 68 -17.734 13.579 2.040 546 HD12 ILE 68 1HD1 ILE 68 -18.084 12.334 3.240 547 HD13 ILE 68 2HD1 ILE 68 -19.003 13.838 3.240 548 H ILE 69 H ILE 69 -23.505 13.326 -1.071 549 HA ILE 69 HA ILE 69 -22.959 14.183 -3.719 550 HB ILE 69 HB ILE 69 -25.476 14.655 -2.053 551 HG12 ILE 69 2HG1 ILE 69 -25.047 12.261 -2.204 552 HG13 ILE 69 3HG1 ILE 69 -26.364 12.639 -3.305 553 HG21 ILE 69 1HG2 ILE 69 -25.111 14.790 -5.073 554 HG22 ILE 69 2HG2 ILE 69 -25.416 16.162 -4.007 555 HG23 ILE 69 3HG2 ILE 69 -26.653 14.922 -4.226 556 HD11 ILE 69 3HD1 ILE 69 -23.485 12.126 -4.069 557 HD12 ILE 69 1HD1 ILE 69 -24.771 12.572 -5.192 558 HD13 ILE 69 2HD1 ILE 69 -24.858 11.048 -4.313 559 H GLY 70 H GLY 70 -22.472 16.109 -4.517 560 HA2 GLY 70 2HA GLY 70 -22.190 18.378 -4.708 561 HA3 GLY 70 3HA GLY 70 -22.897 18.598 -3.121 562 H TYR 71 H TYR 71 -20.617 16.330 -2.602 563 HA TYR 71 HA TYR 71 -18.385 18.242 -2.229 564 HB2 TYR 71 2HB TYR 71 -19.137 15.819 -0.519 565 HB3 TYR 71 3HB TYR 71 -17.631 16.716 -0.359 566 HD1 TYR 71 HD2 TYR 71 -21.356 17.301 -0.287 567 HD2 TYR 71 HD1 TYR 71 -17.526 18.450 1.244 568 HE1 TYR 71 HE2 TYR 71 -22.444 18.801 1.320 569 HE2 TYR 71 HE1 TYR 71 -18.637 19.951 2.851 570 HH TYR 71 HH TYR 71 -20.702 21.091 3.185 571 H THR 72 H THR 72 -16.297 17.428 -2.718 572 HA THR 72 HA THR 72 -16.108 14.790 -4.019 573 HB THR 72 HB THR 72 -15.135 17.376 -5.341 574 HG1 THR 72 HG1 THR 72 -17.363 15.680 -5.833 575 HG21 THR 72 3HG2 THR 72 -15.080 14.512 -6.357 576 HG22 THR 72 1HG2 THR 72 -13.673 15.463 -5.889 577 HG23 THR 72 2HG2 THR 72 -14.634 15.940 -7.293 578 H ALA 73 H ALA 73 -14.459 13.754 -3.133 579 HA ALA 73 HA ALA 73 -12.448 14.929 -1.508 580 HB1 ALA 73 3HB ALA 73 -13.178 12.614 -1.172 581 HB2 ALA 73 1HB ALA 73 -11.443 12.671 -1.483 582 HB3 ALA 73 2HB ALA 73 -12.550 12.163 -2.760 583 H ASP 74 H ASP 74 -10.171 15.145 -1.925 584 HA ASP 74 HA ASP 74 -9.318 15.983 -4.512 585 HB2 ASP 74 2HB ASP 74 -7.732 15.112 -2.055 586 HB3 ASP 74 3HB ASP 74 -6.935 15.646 -3.532 587 H LYS 75 H LYS 75 -9.342 12.924 -2.891 588 HA LYS 75 HA LYS 75 -8.907 11.515 -5.396 589 HB2 LYS 75 2HB LYS 75 -7.470 9.785 -4.289 590 HB3 LYS 75 3HB LYS 75 -6.688 11.344 -4.439 591 HG2 LYS 75 2HG LYS 75 -7.981 10.434 -1.850 592 HG3 LYS 75 3HG LYS 75 -6.316 10.038 -2.253 593 HD2 LYS 75 2HD LYS 75 -7.455 12.844 -1.938 594 HD3 LYS 75 3HD LYS 75 -6.459 11.997 -0.754 595 HE2 LYS 75 2HE LYS 75 -5.603 12.884 -3.524 596 HE3 LYS 75 3HE LYS 75 -5.101 13.596 -1.994 597 HZ1 LYS 75 3HZ LYS 75 -3.387 12.185 -2.761 598 HZ2 LYS 75 1HZ LYS 75 -4.448 10.895 -3.007 599 HZ3 LYS 75 2HZ LYS 75 -4.109 11.412 -1.439 600 HA PRO 76 HA PRO 76 -12.553 9.618 -3.362 601 HB2 PRO 76 2HB PRO 76 -13.784 8.726 -5.592 602 HB3 PRO 76 3HB PRO 76 -13.752 10.464 -5.226 603 HG2 PRO 76 2HG PRO 76 -11.994 8.913 -7.104 604 HG3 PRO 76 3HG PRO 76 -12.825 10.461 -7.374 605 HD2 PRO 76 2HD PRO 76 -10.175 10.299 -6.665 606 HD3 PRO 76 3HD PRO 76 -11.209 11.683 -6.244 607 H MET 77 H MET 77 -9.863 8.362 -4.957 608 HA MET 77 HA MET 77 -10.287 5.750 -3.762 609 HB2 MET 77 2HB MET 77 -11.073 5.590 -6.153 610 HB3 MET 77 3HB MET 77 -9.451 6.044 -6.675 611 HG2 MET 77 2HG MET 77 -9.889 3.592 -6.733 612 HG3 MET 77 3HG MET 77 -8.515 4.040 -5.721 613 HE1 MET 77 3HE MET 77 -12.661 2.930 -3.933 614 HE2 MET 77 1HE MET 77 -12.360 2.980 -5.668 615 HE3 MET 77 2HE MET 77 -12.382 4.478 -4.734 616 H VAL 78 H VAL 78 -8.510 5.066 -2.828 617 HA VAL 78 HA VAL 78 -6.091 6.712 -2.955 618 HB VAL 78 HB VAL 78 -7.004 4.677 -0.879 619 HG11 VAL 78 1HG1 VAL 78 -4.606 6.553 -0.782 620 HG12 VAL 78 2HG1 VAL 78 -4.551 4.793 -0.904 621 HG13 VAL 78 3HG1 VAL 78 -5.177 5.554 0.558 622 HG21 VAL 78 3HG2 VAL 78 -7.483 6.673 0.535 623 HG22 VAL 78 1HG2 VAL 78 -8.450 6.661 -0.941 624 HG23 VAL 78 2HG2 VAL 78 -7.047 7.723 -0.810 625 H GLY 79 H GLY 79 -4.334 6.022 -3.904 626 HA2 GLY 79 2HA GLY 79 -2.594 4.414 -4.285 627 HA3 GLY 79 3HA GLY 79 -3.807 3.138 -4.351 628 HA PRO 80 HA PRO 80 -3.074 5.020 -8.714 629 HB2 PRO 80 2HB PRO 80 -0.702 4.111 -9.593 630 HB3 PRO 80 3HB PRO 80 -0.763 5.471 -8.455 631 HG2 PRO 80 2HG PRO 80 -0.127 2.594 -7.905 632 HG3 PRO 80 3HG PRO 80 0.637 4.064 -7.262 633 HD2 PRO 80 2HD PRO 80 -1.336 2.586 -5.939 634 HD3 PRO 80 3HD PRO 80 -0.898 4.269 -5.573 635 H ASP 81 H ASP 81 -4.411 2.600 -7.704 636 HA ASP 81 HA ASP 81 -5.635 0.904 -8.514 637 HB2 ASP 81 2HB ASP 81 -4.240 1.311 -11.189 638 HB3 ASP 81 3HB ASP 81 -5.580 0.201 -10.920 639 H GLU 82 H GLU 82 -2.368 0.535 -9.914 640 HA GLU 82 HA GLU 82 -2.009 -1.929 -8.274 641 HB2 GLU 82 2HB GLU 82 -0.914 -1.370 -11.069 642 HB3 GLU 82 3HB GLU 82 -0.308 -2.661 -10.041 643 HG2 GLU 82 2HG GLU 82 -1.781 -3.729 -11.517 644 HG3 GLU 82 3HG GLU 82 -2.693 -3.584 -10.017 645 H VAL 83 H VAL 83 0.015 -2.209 -7.317 646 HA VAL 83 HA VAL 83 2.043 -0.059 -7.536 647 HB VAL 83 HB VAL 83 1.024 -1.391 -4.965 648 HG11 VAL 83 1HG1 VAL 83 3.534 0.310 -5.285 649 HG12 VAL 83 2HG1 VAL 83 3.478 -1.400 -4.855 650 HG13 VAL 83 3HG1 VAL 83 2.831 -0.195 -3.744 651 HG21 VAL 83 3HG2 VAL 83 1.261 1.537 -5.754 652 HG22 VAL 83 1HG2 VAL 83 0.663 0.928 -4.207 653 HG23 VAL 83 2HG2 VAL 83 -0.231 0.597 -5.691 654 H THR 84 H THR 84 3.851 -0.936 -8.340 655 HA THR 84 HA THR 84 4.439 -3.803 -7.925 656 HB THR 84 HB THR 84 5.808 -1.875 -9.860 657 HG1 THR 84 HG1 THR 84 3.526 -2.181 -10.290 658 HG21 THR 84 3HG2 THR 84 7.115 -3.928 -9.335 659 HG22 THR 84 1HG2 THR 84 6.535 -3.948 -11.001 660 HG23 THR 84 2HG2 THR 84 5.723 -4.924 -9.775 661 H VAL 85 H VAL 85 5.446 -3.908 -5.936 662 HA VAL 85 HA VAL 85 7.845 -2.252 -5.438 663 HB VAL 85 HB VAL 85 6.463 -4.332 -3.661 664 HG11 VAL 85 1HG1 VAL 85 8.928 -2.655 -3.033 665 HG12 VAL 85 2HG1 VAL 85 8.882 -4.407 -3.240 666 HG13 VAL 85 3HG1 VAL 85 8.050 -3.662 -1.876 667 HG21 VAL 85 3HG2 VAL 85 5.906 -2.405 -2.218 668 HG22 VAL 85 1HG2 VAL 85 5.233 -2.206 -3.838 669 HG23 VAL 85 2HG2 VAL 85 6.679 -1.310 -3.367 670 H ASP 86 H ASP 86 9.657 -2.955 -6.246 671 HA ASP 86 HA ASP 86 10.124 -5.715 -7.128 672 HB2 ASP 86 2HB ASP 86 11.875 -3.208 -7.322 673 HB3 ASP 86 3HB ASP 86 12.296 -4.777 -7.991 674 H SER 87 H SER 87 12.349 -6.568 -6.600 675 HA SER 87 HA SER 87 12.760 -6.775 -3.779 676 HB2 SER 87 2HB SER 87 13.222 -8.632 -5.351 677 HB3 SER 87 3HB SER 87 14.517 -7.696 -6.095 678 HG SER 87 HG SER 87 14.703 -9.324 -4.049 679 H LYS 88 H LYS 88 13.978 -4.685 -6.243 680 HA LYS 88 HA LYS 88 16.359 -3.738 -5.008 681 HB2 LYS 88 2HB LYS 88 14.532 -2.365 -7.027 682 HB3 LYS 88 3HB LYS 88 16.183 -1.882 -6.642 683 HG2 LYS 88 2HG LYS 88 17.019 -4.043 -7.499 684 HG3 LYS 88 3HG LYS 88 15.370 -4.522 -7.902 685 HD2 LYS 88 2HD LYS 88 16.842 -2.142 -9.098 686 HD3 LYS 88 3HD LYS 88 16.639 -3.713 -9.877 687 HE2 LYS 88 2HE LYS 88 14.332 -1.900 -9.075 688 HE3 LYS 88 3HE LYS 88 15.033 -1.974 -10.692 689 HZ1 LYS 88 3HZ LYS 88 14.392 -4.232 -10.898 690 HZ2 LYS 88 1HZ LYS 88 13.032 -3.349 -10.432 691 HZ3 LYS 88 2HZ LYS 88 13.851 -4.310 -9.302 692 H ASN 89 H ASN 89 13.046 -2.364 -5.206 693 HA ASN 89 HA ASN 89 13.598 -0.512 -2.985 694 HB2 ASN 89 2HB ASN 89 11.406 0.576 -3.590 695 HB3 ASN 89 3HB ASN 89 12.583 0.602 -4.896 696 HD21 ASN 89 1HD2 ASN 89 9.584 0.747 -4.899 697 HD22 ASN 89 2HD2 ASN 89 9.099 -0.492 -5.999 698 H PHE 90 H PHE 90 13.138 -3.473 -2.702 699 HA PHE 90 HA PHE 90 10.646 -3.846 -1.356 700 HB2 PHE 90 2HB PHE 90 11.827 -5.742 -2.353 701 HB3 PHE 90 3HB PHE 90 13.196 -5.514 -1.272 702 HD1 PHE 90 HD1 PHE 90 9.591 -6.452 -1.395 703 HD2 PHE 90 HD2 PHE 90 13.168 -6.490 0.945 704 HE1 PHE 90 HE1 PHE 90 8.519 -7.955 0.223 705 HE2 PHE 90 HE2 PHE 90 12.080 -7.993 2.562 706 HZ PHE 90 HZ PHE 90 9.763 -8.732 2.191 707 H LEU 91 H LEU 91 13.838 -2.780 -0.339 708 HA LEU 91 HA LEU 91 13.269 -3.057 2.502 709 HB2 LEU 91 2HB LEU 91 15.618 -1.650 1.167 710 HB3 LEU 91 3HB LEU 91 15.470 -2.010 2.875 711 HG LEU 91 HG LEU 91 16.975 -3.654 2.078 712 HD11 LEU 91 1HD1 LEU 91 14.261 -5.009 2.084 713 HD12 LEU 91 2HD1 LEU 91 15.255 -4.649 3.497 714 HD13 LEU 91 3HD1 LEU 91 15.819 -5.814 2.302 715 HD21 LEU 91 3HD2 LEU 91 16.677 -3.306 -0.348 716 HD22 LEU 91 1HD2 LEU 91 15.157 -4.203 -0.303 717 HD23 LEU 91 2HD2 LEU 91 16.682 -5.022 0.050 718 H ASP 92 H ASP 92 12.569 -0.808 0.058 719 HA ASP 92 HA ASP 92 12.123 1.432 1.905 720 HB2 ASP 92 2HB ASP 92 13.040 2.025 -0.287 721 HB3 ASP 92 3HB ASP 92 11.741 1.189 -1.112 722 H LYS 93 H LYS 93 10.133 1.946 2.612 723 HA LYS 93 HA LYS 93 7.817 0.273 1.843 724 HB2 LYS 93 2HB LYS 93 6.812 1.022 3.984 725 HB3 LYS 93 3HB LYS 93 8.352 0.207 4.238 726 HG2 LYS 93 2HG LYS 93 9.477 2.357 4.570 727 HG3 LYS 93 3HG LYS 93 7.975 3.224 4.251 728 HD2 LYS 93 2HD LYS 93 6.965 2.120 6.259 729 HD3 LYS 93 3HD LYS 93 8.512 1.333 6.576 730 HE2 LYS 93 2HE LYS 93 9.554 3.599 6.812 731 HE3 LYS 93 3HE LYS 93 7.949 4.312 6.620 732 HZ1 LYS 93 3HZ LYS 93 8.460 4.139 8.923 733 HZ2 LYS 93 1HZ LYS 93 8.835 2.495 8.782 734 HZ3 LYS 93 2HZ LYS 93 7.243 3.018 8.578 735 H GLN 94 H GLN 94 5.915 1.267 1.190 736 HA GLN 94 HA GLN 94 6.037 4.148 0.503 737 HB2 GLN 94 2HB GLN 94 4.077 2.056 -0.522 738 HB3 GLN 94 3HB GLN 94 4.304 3.681 -1.147 739 HG2 GLN 94 2HG GLN 94 6.586 3.049 -1.895 740 HG3 GLN 94 3HG GLN 94 6.299 1.418 -1.284 741 HE21 GLN 94 1HE2 GLN 94 6.693 0.593 -3.380 742 HE22 GLN 94 2HE2 GLN 94 5.498 0.713 -4.624 743 H ASN 95 H ASN 95 5.417 2.813 3.142 744 HA ASN 95 HA ASN 95 2.716 3.162 3.860 745 HB2 ASN 95 2HB ASN 95 4.152 1.806 5.265 746 HB3 ASN 95 3HB ASN 95 5.295 3.131 5.494 747 HD21 ASN 95 1HD2 ASN 95 4.782 4.768 7.000 748 HD22 ASN 95 2HD2 ASN 95 3.506 4.597 8.152 749 H ARG 96 H ARG 96 1.630 5.019 3.891 750 HA ARG 96 HA ARG 96 2.858 7.480 4.981 751 HB2 ARG 96 2HB ARG 96 0.869 7.572 2.676 752 HB3 ARG 96 3HB ARG 96 1.834 8.886 3.323 753 HG2 ARG 96 2HG ARG 96 3.859 7.893 2.348 754 HG3 ARG 96 3HG ARG 96 2.901 6.535 1.745 755 HD2 ARG 96 2HD ARG 96 2.798 9.431 0.871 756 HD3 ARG 96 3HD ARG 96 3.163 8.008 -0.099 757 HE ARG 96 HE ARG 96 0.466 8.428 1.056 758 HH11 ARG 96 1HH1 ARG 96 2.423 7.916 -1.824 759 HH12 ARG 96 2HH1 ARG 96 1.048 7.720 -2.858 760 HH21 ARG 96 2HH2 ARG 96 -1.316 8.230 -0.306 761 HH22 ARG 96 1HH2 ARG 96 -1.084 7.899 -1.994 762 H GLU 97 H GLU 97 1.041 9.085 5.483 763 HA GLU 97 HA GLU 97 -1.433 7.764 6.412 764 HB2 GLU 97 2HB GLU 97 -0.390 8.986 8.206 765 HB3 GLU 97 3HB GLU 97 -0.146 10.415 7.203 766 HG2 GLU 97 2HG GLU 97 -2.535 10.865 7.160 767 HG3 GLU 97 3HG GLU 97 -2.888 9.337 7.958 768 H GLU 98 H GLU 98 -3.087 7.941 5.042 769 HA GLU 98 HA GLU 98 -3.124 10.031 2.979 770 HB2 GLU 98 2HB GLU 98 -3.406 7.656 2.281 771 HB3 GLU 98 3HB GLU 98 -4.837 7.527 3.305 772 HG2 GLU 98 2HG GLU 98 -5.513 7.824 0.999 773 HG3 GLU 98 3HG GLU 98 -5.970 9.248 1.924 774 H THR 99 H THR 99 -4.531 11.685 3.095 775 HA THR 99 HA THR 99 -7.019 11.426 4.657 776 HB THR 99 HB THR 99 -5.178 13.852 4.870 777 HG1 THR 99 HG1 THR 99 -4.348 12.722 6.445 778 HG21 THR 99 3HG2 THR 99 -7.548 14.522 4.982 779 HG22 THR 99 1HG2 THR 99 -6.805 14.641 6.578 780 HG23 THR 99 2HG2 THR 99 -7.859 13.279 6.196 781 H VAL 100 H VAL 100 -8.480 11.521 3.103 782 HA VAL 100 HA VAL 100 -8.135 13.192 0.740 783 HB VAL 100 HB VAL 100 -9.925 12.030 -0.246 784 HG11 VAL 100 1HG1 VAL 100 -9.583 9.618 0.160 785 HG12 VAL 100 2HG1 VAL 100 -8.759 9.983 1.679 786 HG13 VAL 100 3HG1 VAL 100 -8.048 10.490 0.148 787 HG21 VAL 100 3HG2 VAL 100 -11.670 12.430 1.405 788 HG22 VAL 100 1HG2 VAL 100 -10.963 11.238 2.497 789 HG23 VAL 100 2HG2 VAL 100 -11.662 10.725 0.959 790 H ILE 101 H ILE 101 -9.364 15.028 0.322 791 HA ILE 101 HA ILE 101 -10.987 16.122 2.563 792 HB ILE 101 HB ILE 101 -9.159 17.580 0.615 793 HG12 ILE 101 2HG1 ILE 101 -7.978 16.516 2.522 794 HG13 ILE 101 3HG1 ILE 101 -7.885 18.270 2.611 795 HG21 ILE 101 1HG2 ILE 101 -11.029 18.805 2.659 796 HG22 ILE 101 2HG2 ILE 101 -11.158 18.939 0.906 797 HG23 ILE 101 3HG2 ILE 101 -9.800 19.686 1.750 798 HD11 ILE 101 3HD1 ILE 101 -9.689 16.488 4.247 799 HD12 ILE 101 1HD1 ILE 101 -9.662 18.250 4.326 800 HD13 ILE 101 2HD1 ILE 101 -8.241 17.322 4.806 801 H TYR 102 H TYR 102 -13.025 15.994 2.032 802 HA TYR 102 HA TYR 102 -14.132 16.151 -0.612 803 HB2 TYR 102 2HB TYR 102 -15.431 15.981 2.151 804 HB3 TYR 102 3HB TYR 102 -16.347 16.028 0.652 805 HD1 TYR 102 HD2 TYR 102 -16.341 14.106 -0.900 806 HD2 TYR 102 HD1 TYR 102 -14.235 13.931 2.818 807 HE1 TYR 102 HE2 TYR 102 -16.166 11.661 -1.102 808 HE2 TYR 102 HE1 TYR 102 -14.070 11.492 2.605 809 HH TYR 102 HH TYR 102 -14.908 9.846 -0.301 810 H SER 103 H SER 103 -14.284 18.102 -1.574 811 HA SER 103 HA SER 103 -14.537 20.547 0.034 812 HB2 SER 103 2HB SER 103 -13.913 21.656 -2.181 813 HB3 SER 103 3HB SER 103 -12.669 20.597 -1.519 814 HG SER 103 HG SER 103 -13.312 18.997 -2.950 815 H ALA 104 H ALA 104 -16.397 21.686 -0.015 816 HA ALA 104 HA ALA 104 -18.781 20.576 -1.170 817 HB1 ALA 104 3HB ALA 104 -19.913 22.519 -0.137 818 HB2 ALA 104 1HB ALA 104 -18.345 23.230 0.261 819 HB3 ALA 104 2HB ALA 104 -18.845 21.716 1.010 820 H ASN 105 H ASN 105 -18.645 20.594 -3.328 821 HA ASN 105 HA ASN 105 -17.847 22.752 -5.018 822 HB2 ASN 105 2HB ASN 105 -19.687 20.414 -5.733 823 HB3 ASN 105 3HB ASN 105 -18.704 21.362 -6.846 824 HD21 ASN 105 1HD2 ASN 105 -18.727 18.858 -4.477 825 HD22 ASN 105 2HD2 ASN 105 -17.149 18.264 -4.813 826 H THR 106 H THR 106 -19.388 23.719 -6.634 827 HA THR 106 HA THR 106 -21.554 25.078 -5.366 828 HB THR 106 HB THR 106 -20.163 26.116 -7.139 829 HG1 THR 106 HG1 THR 106 -22.864 26.030 -8.020 830 HG21 THR 106 3HG2 THR 106 -21.638 24.292 -9.078 831 HG22 THR 106 1HG2 THR 106 -19.924 24.181 -8.662 832 HG23 THR 106 2HG2 THR 106 -20.535 25.599 -9.514 833 H ILE 107 H ILE 107 -21.343 22.056 -6.888 834 HA ILE 107 HA ILE 107 -23.826 21.364 -7.833 835 HB ILE 107 HB ILE 107 -22.101 19.675 -5.954 836 HG12 ILE 107 2HG1 ILE 107 -21.943 19.807 -9.005 837 HG13 ILE 107 3HG1 ILE 107 -20.792 20.555 -7.903 838 HG21 ILE 107 1HG2 ILE 107 -23.111 17.700 -7.074 839 HG22 ILE 107 2HG2 ILE 107 -24.149 18.774 -8.013 840 HG23 ILE 107 3HG2 ILE 107 -24.324 18.694 -6.263 841 HD11 ILE 107 3HD1 ILE 107 -20.239 18.332 -7.013 842 HD12 ILE 107 1HD1 ILE 107 -19.896 18.497 -8.736 843 HD13 ILE 107 2HD1 ILE 107 -21.326 17.616 -8.205 844 H THR 108 H THR 108 -22.774 21.172 -4.379 845 HA THR 108 HA THR 108 -25.395 20.515 -3.424 846 HB THR 108 HB THR 108 -23.389 19.721 -2.214 847 HG1 THR 108 HG1 THR 108 -25.031 21.400 -0.600 848 HG21 THR 108 3HG2 THR 108 -21.898 21.673 -2.378 849 HG22 THR 108 1HG2 THR 108 -22.127 21.210 -0.691 850 HG23 THR 108 2HG2 THR 108 -22.983 22.606 -1.346 851 H GLN 109 H GLN 109 -23.722 23.487 -4.015 852 HA GLN 109 HA GLN 109 -25.242 25.179 -2.241 853 HB2 GLN 109 2HB GLN 109 -23.636 25.947 -4.721 854 HB3 GLN 109 3HB GLN 109 -24.197 27.053 -3.473 855 HG2 GLN 109 2HG GLN 109 -22.123 24.868 -3.153 856 HG3 GLN 109 3HG GLN 109 -21.834 26.611 -3.175 857 HE21 GLN 109 1HE2 GLN 109 -22.502 27.848 -1.342 858 HE22 GLN 109 2HE2 GLN 109 -22.767 27.098 0.191 859 H ASN 110 H ASN 110 -25.522 24.094 -5.530 860 HA ASN 110 HA ASN 110 -28.061 25.560 -5.968 861 HB2 ASN 110 2HB ASN 110 -25.893 24.742 -7.953 862 HB3 ASN 110 3HB ASN 110 -27.458 25.401 -8.423 863 HD21 ASN 110 1HD2 ASN 110 -24.426 26.122 -6.794 864 HD22 ASN 110 2HD2 ASN 110 -24.566 27.842 -6.909 865 H LYS 111 H LYS 111 -29.032 24.239 -8.103 866 HA LYS 111 HA LYS 111 -30.124 21.826 -7.320 867 HB2 LYS 111 2HB LYS 111 -30.700 21.464 -9.720 868 HB3 LYS 111 3HB LYS 111 -31.046 23.099 -9.208 869 HG2 LYS 111 2HG LYS 111 -28.455 22.505 -10.619 870 HG3 LYS 111 3HG LYS 111 -29.945 22.657 -11.553 871 HD2 LYS 111 2HD LYS 111 -30.254 24.941 -10.534 872 HD3 LYS 111 3HD LYS 111 -28.678 24.756 -9.763 873 HE2 LYS 111 2HE LYS 111 -29.172 24.746 -12.764 874 HE3 LYS 111 3HE LYS 111 -28.565 26.118 -11.839 875 HZ1 LYS 111 3HZ LYS 111 -26.623 24.796 -11.252 876 HZ2 LYS 111 1HZ LYS 111 -26.783 24.936 -12.926 877 HZ3 LYS 111 2HZ LYS 111 -27.209 23.501 -12.155 878 H LYS 112 H LYS 112 -29.472 19.709 -7.390 879 HA LYS 112 HA LYS 112 -26.690 19.140 -8.245 880 HB2 LYS 112 2HB LYS 112 -26.463 17.763 -6.112 881 HB3 LYS 112 3HB LYS 112 -26.420 19.512 -5.956 882 HG2 LYS 112 2HG LYS 112 -28.806 19.468 -5.232 883 HG3 LYS 112 3HG LYS 112 -28.756 17.702 -5.266 884 HD2 LYS 112 2HD LYS 112 -27.081 17.656 -3.499 885 HD3 LYS 112 3HD LYS 112 -26.893 19.412 -3.562 886 HE2 LYS 112 2HE LYS 112 -28.237 18.714 -1.621 887 HE3 LYS 112 3HE LYS 112 -29.184 19.707 -2.729 888 HZ1 LYS 112 3HZ LYS 112 -30.434 17.815 -1.924 889 HZ2 LYS 112 1HZ LYS 112 -29.288 16.743 -2.538 890 HZ3 LYS 112 2HZ LYS 112 -30.203 17.694 -3.591 891 H ASP 113 H ASP 113 -29.682 17.482 -7.141 892 HA ASP 113 HA ASP 113 -30.459 15.384 -7.344 893 HB2 ASP 113 2HB ASP 113 -28.953 15.469 -9.981 894 HB3 ASP 113 3HB ASP 113 -29.813 14.021 -9.470 895 H GLY 114 H GLY 114 -27.245 14.857 -8.788 896 HA2 GLY 114 2HA GLY 114 -25.447 13.600 -8.148 897 HA3 GLY 114 3HA GLY 114 -26.035 13.665 -6.493 898 H LEU 115 H LEU 115 -27.824 12.352 -9.269 899 HA LEU 115 HA LEU 115 -27.983 9.750 -7.900 900 HB2 LEU 115 2HB LEU 115 -29.616 10.762 -10.266 901 HB3 LEU 115 3HB LEU 115 -29.894 9.274 -9.379 902 HG LEU 115 HG LEU 115 -30.323 12.111 -8.368 903 HD11 LEU 115 1HD1 LEU 115 -32.098 11.306 -9.832 904 HD12 LEU 115 2HD1 LEU 115 -32.693 11.427 -8.179 905 HD13 LEU 115 3HD1 LEU 115 -32.282 9.849 -8.856 906 HD21 LEU 115 3HD2 LEU 115 -29.409 10.797 -6.517 907 HD22 LEU 115 1HD2 LEU 115 -30.607 9.530 -6.788 908 HD23 LEU 115 2HD2 LEU 115 -31.117 11.129 -6.238 909 H GLU 116 H GLU 116 -28.087 10.616 -11.337 910 HA GLU 116 HA GLU 116 -27.267 9.683 -13.214 911 HB2 GLU 116 2HB GLU 116 -24.706 10.257 -11.677 912 HB3 GLU 116 3HB GLU 116 -24.769 9.936 -13.406 913 HG2 GLU 116 2HG GLU 116 -24.611 12.300 -13.175 914 HG3 GLU 116 3HG GLU 116 -26.272 11.966 -13.639 915 H HIS 117 H HIS 117 -24.635 8.281 -11.349 916 HA HIS 117 HA HIS 117 -25.798 5.584 -11.464 917 HB2 HIS 117 2HB HIS 117 -22.993 6.292 -12.459 918 HB3 HIS 117 3HB HIS 117 -23.534 4.649 -12.128 919 HD1 HIS 117 HD1 HIS 117 -25.303 3.628 -13.764 920 HD2 HIS 117 HD2 HIS 117 -23.827 7.343 -14.914 921 HE1 HIS 117 HE1 HIS 117 -25.952 3.902 -16.174 922 HE2 HIS 117 HE2 HIS 117 -25.070 6.151 -16.842 923 H HIS 118 H HIS 118 -25.704 4.767 -9.434 924 HA HIS 118 HA HIS 118 -23.442 5.434 -7.644 925 HB2 HIS 118 2HB HIS 118 -25.398 6.874 -7.029 926 HB3 HIS 118 3HB HIS 118 -26.392 5.433 -6.839 927 HD1 HIS 118 HD1 HIS 118 -23.652 7.363 -5.192 928 HD2 HIS 118 HD2 HIS 118 -25.979 4.020 -4.404 929 HE1 HIS 118 HE1 HIS 118 -23.310 6.854 -2.773 930 HE2 HIS 118 HE2 HIS 118 -24.860 4.970 -2.281 931 H HIS 119 H HIS 119 -22.490 3.468 -7.572 932 HA HIS 119 HA HIS 119 -24.097 1.078 -6.902 933 HB2 HIS 119 2HB HIS 119 -22.432 -0.290 -8.148 934 HB3 HIS 119 3HB HIS 119 -23.217 0.886 -9.202 935 HD1 HIS 119 HD1 HIS 119 -19.913 -0.174 -7.959 936 HD2 HIS 119 HD2 HIS 119 -21.494 3.085 -9.984 937 HE1 HIS 119 HE1 HIS 119 -17.949 1.082 -8.850 938 HE2 HIS 119 HE2 HIS 119 -18.926 2.940 -10.217 939 H HIS 120 H HIS 120 -23.690 0.412 -4.896 940 HA HIS 120 HA HIS 120 -21.455 1.412 -3.332 941 HB2 HIS 120 2HB HIS 120 -23.772 1.180 -2.416 942 HB3 HIS 120 3HB HIS 120 -23.653 -0.566 -2.590 943 HD1 HIS 120 HD1 HIS 120 -22.361 2.285 -0.522 944 HD2 HIS 120 HD2 HIS 120 -22.266 -1.868 -0.531 945 HE1 HIS 120 HE1 HIS 120 -21.508 1.625 1.731 946 HE2 HIS 120 HE2 HIS 120 -21.210 -0.860 1.603 947 H HIS 121 H HIS 121 -22.069 -1.374 -5.245 948 HA HIS 121 HA HIS 121 -19.945 -2.979 -3.960 949 HB2 HIS 121 2HB HIS 121 -21.967 -3.676 -6.137 950 HB3 HIS 121 3HB HIS 121 -20.699 -4.766 -5.589 951 HD1 HIS 121 HD1 HIS 121 -21.557 -6.441 -3.988 952 HD2 HIS 121 HD2 HIS 121 -23.651 -2.859 -3.724 953 HE1 HIS 121 HE1 HIS 121 -23.340 -6.820 -2.266 954 HE2 HIS 121 HE2 HIS 121 -24.590 -4.646 -2.124 955 H HIS 122 H HIS 122 -17.957 -2.954 -4.817 956 HA HIS 122 HA HIS 122 -17.443 -1.751 -7.428 957 HB2 HIS 122 2HB HIS 122 -15.051 -1.795 -6.768 958 HB3 HIS 122 3HB HIS 122 -16.045 -0.960 -5.584 959 HD1 HIS 122 HD1 HIS 122 -16.542 -2.346 -3.329 960 HD2 HIS 122 HD2 HIS 122 -13.473 -3.796 -5.737 961 HE1 HIS 122 HE1 HIS 122 -15.251 -3.965 -1.895 962 HE2 HIS 122 HE2 HIS 122 -13.440 -4.845 -3.372 Start of MODEL 9 1 H1 MET 1 1H MET 1 20.938 -29.162 0.119 2 H2 MET 1 2H MET 1 20.774 -30.584 1.013 3 H3 MET 1 3H MET 1 21.024 -29.113 1.811 4 HA MET 1 HA MET 1 18.659 -29.801 0.173 5 HB2 MET 1 2HB MET 1 18.679 -31.099 2.256 6 HB3 MET 1 3HB MET 1 18.971 -29.648 3.205 7 HG2 MET 1 2HG MET 1 16.635 -30.398 3.369 8 HG3 MET 1 3HG MET 1 16.748 -28.799 2.628 9 HE1 MET 1 3HE MET 1 13.649 -30.417 0.787 10 HE2 MET 1 1HE MET 1 14.204 -29.072 1.782 11 HE3 MET 1 2HE MET 1 14.103 -30.693 2.468 12 H ILE 2 H ILE 2 17.324 -28.185 -0.289 13 HA ILE 2 HA ILE 2 17.757 -25.453 0.794 14 HB ILE 2 HB ILE 2 16.875 -26.240 -2.048 15 HG12 ILE 2 2HG1 ILE 2 19.317 -26.682 -1.675 16 HG13 ILE 2 3HG1 ILE 2 19.019 -25.455 -2.895 17 HG21 ILE 2 1HG2 ILE 2 17.452 -23.487 -0.897 18 HG22 ILE 2 2HG2 ILE 2 15.874 -24.132 -1.349 19 HG23 ILE 2 3HG2 ILE 2 17.088 -23.837 -2.590 20 HD11 ILE 2 3HD1 ILE 2 19.918 -24.956 -0.055 21 HD12 ILE 2 1HD1 ILE 2 19.600 -23.710 -1.263 22 HD13 ILE 2 2HD1 ILE 2 20.909 -24.864 -1.509 23 H GLU 3 H GLU 3 15.717 -24.196 0.944 24 HA GLU 3 HA GLU 3 13.198 -25.661 0.485 25 HB2 GLU 3 2HB GLU 3 12.245 -25.095 2.577 26 HB3 GLU 3 3HB GLU 3 13.863 -25.641 3.002 27 HG2 GLU 3 2HG GLU 3 14.612 -23.343 3.274 28 HG3 GLU 3 3HG GLU 3 13.052 -22.727 2.733 29 HA PRO 4 HA PRO 4 12.243 -21.562 -1.265 30 HB2 PRO 4 2HB PRO 4 9.565 -21.834 -1.697 31 HB3 PRO 4 3HB PRO 4 10.765 -22.684 -2.687 32 HG2 PRO 4 2HG PRO 4 9.126 -23.727 -0.406 33 HG3 PRO 4 3HG PRO 4 9.496 -24.491 -1.967 34 HD2 PRO 4 2HD PRO 4 10.831 -25.089 0.357 35 HD3 PRO 4 3HD PRO 4 11.562 -25.242 -1.257 36 H ILE 5 H ILE 5 12.144 -19.748 -0.061 37 HA ILE 5 HA ILE 5 10.300 -19.542 2.265 38 HB ILE 5 HB ILE 5 11.933 -17.947 3.293 39 HG12 ILE 5 2HG1 ILE 5 13.806 -18.822 1.047 40 HG13 ILE 5 3HG1 ILE 5 13.130 -17.215 1.248 41 HG21 ILE 5 1HG2 ILE 5 11.911 -20.292 4.003 42 HG22 ILE 5 2HG2 ILE 5 13.539 -19.621 4.093 43 HG23 ILE 5 3HG2 ILE 5 13.100 -20.693 2.761 44 HD11 ILE 5 3HD1 ILE 5 14.426 -16.928 3.310 45 HD12 ILE 5 1HD1 ILE 5 15.457 -17.292 1.929 46 HD13 ILE 5 2HD1 ILE 5 15.100 -18.544 3.114 47 H LYS 6 H LYS 6 9.894 -17.174 2.842 48 HA LYS 6 HA LYS 6 10.094 -15.148 0.864 49 HB2 LYS 6 2HB LYS 6 7.790 -14.839 0.204 50 HB3 LYS 6 3HB LYS 6 8.252 -16.480 -0.197 51 HG2 LYS 6 2HG LYS 6 6.657 -15.753 2.273 52 HG3 LYS 6 3HG LYS 6 5.913 -16.162 0.734 53 HD2 LYS 6 2HD LYS 6 7.745 -18.009 2.301 54 HD3 LYS 6 3HD LYS 6 5.985 -18.061 2.364 55 HE2 LYS 6 2HE LYS 6 5.936 -18.565 -0.067 56 HE3 LYS 6 3HE LYS 6 7.702 -18.550 -0.088 57 HZ1 LYS 6 3HZ LYS 6 6.807 -20.808 0.074 58 HZ2 LYS 6 1HZ LYS 6 6.035 -20.415 1.533 59 HZ3 LYS 6 2HZ LYS 6 7.724 -20.415 1.441 60 H ARG 7 H ARG 7 9.767 -13.144 1.748 61 HA ARG 7 HA ARG 7 8.647 -12.933 4.481 62 HB2 ARG 7 2HB ARG 7 10.501 -11.100 2.896 63 HB3 ARG 7 3HB ARG 7 9.718 -10.592 4.391 64 HG2 ARG 7 2HG ARG 7 10.850 -12.498 5.573 65 HG3 ARG 7 3HG ARG 7 11.701 -12.857 4.074 66 HD2 ARG 7 2HD ARG 7 13.138 -11.557 5.546 67 HD3 ARG 7 3HD ARG 7 12.726 -10.594 4.122 68 HE ARG 7 HE ARG 7 10.939 -10.151 6.318 69 HH11 ARG 7 2HH1 ARG 7 14.101 -9.218 5.072 70 HH12 ARG 7 1HH1 ARG 7 14.107 -7.697 5.905 71 HH21 ARG 7 1HH2 ARG 7 10.922 -8.147 7.359 72 HH22 ARG 7 2HH2 ARG 7 12.286 -7.086 7.211 73 H THR 8 H THR 8 7.500 -10.717 4.819 74 HA THR 8 HA THR 8 5.565 -10.284 2.618 75 HB THR 8 HB THR 8 5.022 -10.277 5.635 76 HG1 THR 8 HG1 THR 8 5.250 -12.389 5.091 77 HG21 THR 8 3HG2 THR 8 2.641 -10.188 5.010 78 HG22 THR 8 1HG2 THR 8 3.079 -10.115 3.303 79 HG23 THR 8 2HG2 THR 8 3.493 -8.782 4.376 80 H GLN 9 H GLN 9 6.119 -8.288 1.832 81 HA GLN 9 HA GLN 9 6.717 -6.100 3.746 82 HB2 GLN 9 2HB GLN 9 8.409 -6.539 1.948 83 HB3 GLN 9 3HB GLN 9 7.199 -6.180 0.732 84 HG2 GLN 9 2HG GLN 9 8.647 -4.277 0.975 85 HG3 GLN 9 3HG GLN 9 7.065 -3.847 1.612 86 HE21 GLN 9 1HE2 GLN 9 9.811 -2.766 2.129 87 HE22 GLN 9 2HE2 GLN 9 9.987 -2.805 3.845 88 H VAL 10 H VAL 10 4.722 -5.387 4.349 89 HA VAL 10 HA VAL 10 2.663 -4.900 2.326 90 HB VAL 10 HB VAL 10 1.181 -4.254 4.198 91 HG11 VAL 10 1HG1 VAL 10 0.970 -6.473 5.258 92 HG12 VAL 10 2HG1 VAL 10 2.568 -6.919 4.655 93 HG13 VAL 10 3HG1 VAL 10 1.252 -6.601 3.522 94 HG21 VAL 10 3HG2 VAL 10 1.876 -4.547 6.559 95 HG22 VAL 10 1HG2 VAL 10 2.798 -3.275 5.758 96 HG23 VAL 10 2HG2 VAL 10 3.533 -4.853 6.035 97 H VAL 11 H VAL 11 2.409 -2.943 1.347 98 HA VAL 11 HA VAL 11 3.723 -0.562 2.542 99 HB VAL 11 HB VAL 11 2.584 -0.957 -0.273 100 HG11 VAL 11 1HG1 VAL 11 2.273 1.376 0.443 101 HG12 VAL 11 2HG1 VAL 11 3.524 1.273 -0.791 102 HG13 VAL 11 3HG1 VAL 11 3.974 1.485 0.903 103 HG21 VAL 11 3HG2 VAL 11 4.944 -0.798 -0.991 104 HG22 VAL 11 1HG2 VAL 11 4.701 -2.149 0.117 105 HG23 VAL 11 2HG2 VAL 11 5.457 -0.661 0.694 106 H THR 12 H THR 12 2.516 0.812 3.649 107 HA THR 12 HA THR 12 -0.345 0.148 3.931 108 HB THR 12 HB THR 12 1.597 1.384 5.936 109 HG1 THR 12 HG1 THR 12 0.749 -1.304 5.497 110 HG21 THR 12 3HG2 THR 12 -0.074 0.758 7.630 111 HG22 THR 12 1HG2 THR 12 -1.155 0.163 6.362 112 HG23 THR 12 2HG2 THR 12 -0.770 1.884 6.465 113 H GLN 13 H GLN 13 -1.470 1.593 2.727 114 HA GLN 13 HA GLN 13 -0.898 4.462 2.750 115 HB2 GLN 13 2HB GLN 13 -3.205 3.010 1.398 116 HB3 GLN 13 3HB GLN 13 -2.617 4.630 1.048 117 HG2 GLN 13 2HG GLN 13 -1.148 2.046 0.528 118 HG3 GLN 13 3HG GLN 13 -1.972 3.030 -0.674 119 HE21 GLN 13 1HE2 GLN 13 -1.041 4.968 -1.322 120 HE22 GLN 13 2HE2 GLN 13 0.623 5.322 -1.048 121 H THR 14 H THR 14 -1.429 5.171 4.810 122 HA THR 14 HA THR 14 -4.027 4.658 5.992 123 HB THR 14 HB THR 14 -3.316 6.378 7.676 124 HG1 THR 14 HG1 THR 14 -1.623 7.092 5.710 125 HG21 THR 14 3HG2 THR 14 -2.596 4.039 8.019 126 HG22 THR 14 1HG2 THR 14 -1.364 5.162 8.598 127 HG23 THR 14 2HG2 THR 14 -1.144 4.328 7.056 128 H ILE 15 H ILE 15 -5.732 5.420 4.748 129 HA ILE 15 HA ILE 15 -5.625 8.139 3.617 130 HB ILE 15 HB ILE 15 -7.378 5.732 3.049 131 HG12 ILE 15 2HG1 ILE 15 -6.973 6.397 0.677 132 HG13 ILE 15 3HG1 ILE 15 -6.111 7.834 1.209 133 HG21 ILE 15 1HG2 ILE 15 -8.288 8.573 2.440 134 HG22 ILE 15 2HG2 ILE 15 -9.069 7.438 3.541 135 HG23 ILE 15 3HG2 ILE 15 -9.038 7.101 1.813 136 HD11 ILE 15 3HD1 ILE 15 -4.619 6.078 0.434 137 HD12 ILE 15 1HD1 ILE 15 -5.231 4.987 1.678 138 HD13 ILE 15 2HD1 ILE 15 -4.346 6.447 2.134 139 H HIS 16 H HIS 16 -6.788 9.791 4.378 140 HA HIS 16 HA HIS 16 -8.338 9.428 6.881 141 HB2 HIS 16 2HB HIS 16 -6.435 11.717 6.140 142 HB3 HIS 16 3HB HIS 16 -7.389 11.615 7.620 143 HD1 HIS 16 HD1 HIS 16 -6.209 10.546 9.585 144 HD2 HIS 16 HD2 HIS 16 -4.387 9.590 5.976 145 HE1 HIS 16 HE1 HIS 16 -4.142 9.252 10.193 146 HE2 HIS 16 HE2 HIS 16 -2.994 8.807 8.001 147 H TYR 17 H TYR 17 -10.435 10.059 6.571 148 HA TYR 17 HA TYR 17 -11.127 11.759 4.295 149 HB2 TYR 17 2HB TYR 17 -12.873 10.254 6.299 150 HB3 TYR 17 3HB TYR 17 -13.464 11.120 4.879 151 HD1 TYR 17 HD2 TYR 17 -12.027 10.394 2.657 152 HD2 TYR 17 HD1 TYR 17 -12.829 7.905 6.012 153 HE1 TYR 17 HE2 TYR 17 -11.665 8.428 1.264 154 HE2 TYR 17 HE1 TYR 17 -12.465 5.919 4.619 155 HH TYR 17 HH TYR 17 -12.549 5.330 2.202 156 H ARG 18 H ARG 18 -11.144 13.867 4.600 157 HA ARG 18 HA ARG 18 -12.486 14.994 6.960 158 HB2 ARG 18 2HB ARG 18 -9.752 15.958 5.992 159 HB3 ARG 18 3HB ARG 18 -10.759 16.776 7.179 160 HG2 ARG 18 2HG ARG 18 -10.576 14.646 8.590 161 HG3 ARG 18 3HG ARG 18 -9.310 14.146 7.467 162 HD2 ARG 18 2HD ARG 18 -9.337 16.613 9.208 163 HD3 ARG 18 3HD ARG 18 -8.299 15.202 9.391 164 HE ARG 18 HE ARG 18 -7.202 15.839 7.294 165 HH11 ARG 18 1HH1 ARG 18 -9.012 18.354 8.972 166 HH12 ARG 18 2HH1 ARG 18 -8.129 19.648 8.229 167 HH21 ARG 18 1HH2 ARG 18 -6.110 17.541 6.251 168 HH22 ARG 18 2HH2 ARG 18 -6.472 19.182 6.666 169 H TYR 19 H TYR 19 -13.282 17.126 6.576 170 HA TYR 19 HA TYR 19 -14.141 17.616 3.856 171 HB2 TYR 19 2HB TYR 19 -14.688 19.181 6.429 172 HB3 TYR 19 3HB TYR 19 -15.512 19.416 4.888 173 HD1 TYR 19 HD2 TYR 19 -14.955 16.896 7.602 174 HD2 TYR 19 HD1 TYR 19 -17.470 18.097 4.369 175 HE1 TYR 19 HE2 TYR 19 -16.600 15.221 8.268 176 HE2 TYR 19 HE1 TYR 19 -19.126 16.403 5.043 177 HH TYR 19 HH TYR 19 -19.329 14.408 6.324 178 H GLU 20 H GLU 20 -14.107 19.918 3.025 179 HA GLU 20 HA GLU 20 -11.519 21.055 2.863 180 HB2 GLU 20 2HB GLU 20 -12.584 22.918 1.636 181 HB3 GLU 20 3HB GLU 20 -13.179 21.365 1.057 182 HG2 GLU 20 2HG GLU 20 -15.271 21.634 2.155 183 HG3 GLU 20 3HG GLU 20 -14.692 23.013 3.093 184 H ASP 21 H ASP 21 -14.211 21.528 4.957 185 HA ASP 21 HA ASP 21 -13.608 23.968 6.221 186 HB2 ASP 21 2HB ASP 21 -15.806 22.839 6.290 187 HB3 ASP 21 3HB ASP 21 -15.117 21.501 7.201 188 H GLY 22 H GLY 22 -12.077 20.878 6.447 189 HA2 GLY 22 2HA GLY 22 -10.081 20.404 7.599 190 HA3 GLY 22 3HA GLY 22 -10.403 21.726 8.711 191 H ALA 23 H ALA 23 -13.289 20.436 8.703 192 HA ALA 23 HA ALA 23 -13.170 18.992 11.115 193 HB1 ALA 23 3HB ALA 23 -15.330 18.998 8.975 194 HB2 ALA 23 1HB ALA 23 -15.200 20.130 10.327 195 HB3 ALA 23 2HB ALA 23 -15.526 18.423 10.638 196 H VAL 24 H VAL 24 -13.381 16.706 11.512 197 HA VAL 24 HA VAL 24 -12.189 15.020 9.420 198 HB VAL 24 HB VAL 24 -12.783 14.348 12.352 199 HG11 VAL 24 1HG1 VAL 24 -12.622 12.341 10.953 200 HG12 VAL 24 2HG1 VAL 24 -11.219 12.461 12.012 201 HG13 VAL 24 3HG1 VAL 24 -11.073 12.883 10.304 202 HG21 VAL 24 3HG2 VAL 24 -11.159 16.190 12.168 203 HG22 VAL 24 1HG2 VAL 24 -10.160 15.229 11.077 204 HG23 VAL 24 2HG2 VAL 24 -10.376 14.725 12.755 205 H ALA 25 H ALA 25 -13.363 13.626 8.226 206 HA ALA 25 HA ALA 25 -16.135 12.969 8.898 207 HB1 ALA 25 3HB ALA 25 -16.168 11.817 6.703 208 HB2 ALA 25 1HB ALA 25 -14.446 12.160 6.500 209 HB3 ALA 25 2HB ALA 25 -15.610 13.481 6.559 210 H HIS 26 H HIS 26 -13.181 11.103 8.086 211 HA HIS 26 HA HIS 26 -13.409 9.194 10.214 212 HB2 HIS 26 2HB HIS 26 -14.266 8.361 7.413 213 HB3 HIS 26 3HB HIS 26 -13.512 7.188 8.481 214 HD1 HIS 26 HD1 HIS 26 -14.885 6.592 10.681 215 HD2 HIS 26 HD2 HIS 26 -16.967 8.766 7.815 216 HE1 HIS 26 HE1 HIS 26 -17.314 6.327 11.269 217 HE2 HIS 26 HE2 HIS 26 -18.546 7.738 9.593 218 H ASP 27 H ASP 27 -11.216 9.689 10.641 219 HA ASP 27 HA ASP 27 -9.335 9.817 8.383 220 HB2 ASP 27 2HB ASP 27 -7.848 11.003 9.847 221 HB3 ASP 27 3HB ASP 27 -9.453 11.668 10.091 222 H ASP 28 H ASP 28 -10.209 7.088 9.230 223 HA ASP 28 HA ASP 28 -7.628 5.993 10.242 224 HB2 ASP 28 2HB ASP 28 -9.348 6.255 12.078 225 HB3 ASP 28 3HB ASP 28 -10.390 5.132 11.218 226 H HIS 29 H HIS 29 -8.956 6.057 7.485 227 HA HIS 29 HA HIS 29 -9.675 3.226 7.095 228 HB2 HIS 29 2HB HIS 29 -11.015 5.232 6.096 229 HB3 HIS 29 3HB HIS 29 -9.746 5.293 4.873 230 HD1 HIS 29 HD1 HIS 29 -10.832 4.262 2.847 231 HD2 HIS 29 HD2 HIS 29 -11.608 2.071 6.283 232 HE1 HIS 29 HE1 HIS 29 -12.076 2.222 2.072 233 HE2 HIS 29 HE2 HIS 29 -12.670 0.999 4.185 234 H VAL 30 H VAL 30 -7.694 2.380 7.440 235 HA VAL 30 HA VAL 30 -5.363 3.029 5.780 236 HB VAL 30 HB VAL 30 -5.713 1.178 8.211 237 HG11 VAL 30 1HG1 VAL 30 -3.257 1.247 8.391 238 HG12 VAL 30 2HG1 VAL 30 -3.163 2.170 6.889 239 HG13 VAL 30 3HG1 VAL 30 -3.785 0.519 6.875 240 HG21 VAL 30 3HG2 VAL 30 -6.165 3.522 8.806 241 HG22 VAL 30 1HG2 VAL 30 -4.616 4.020 8.123 242 HG23 VAL 30 2HG2 VAL 30 -4.663 2.971 9.542 243 H VAL 31 H VAL 31 -4.877 1.775 4.060 244 HA VAL 31 HA VAL 31 -5.706 -1.074 3.973 245 HB VAL 31 HB VAL 31 -6.859 0.331 2.239 246 HG11 VAL 31 1HG1 VAL 31 -5.642 1.252 0.316 247 HG12 VAL 31 2HG1 VAL 31 -4.105 0.812 1.062 248 HG13 VAL 31 3HG1 VAL 31 -5.139 2.019 1.824 249 HG21 VAL 31 3HG2 VAL 31 -6.460 -1.139 0.317 250 HG22 VAL 31 1HG2 VAL 31 -6.495 -2.068 1.816 251 HG23 VAL 31 2HG2 VAL 31 -4.953 -1.712 1.038 252 H SER 32 H SER 32 -4.118 -2.526 3.192 253 HA SER 32 HA SER 32 -1.401 -1.530 2.633 254 HB2 SER 32 2HB SER 32 -2.034 -3.742 4.653 255 HB3 SER 32 3HB SER 32 -0.420 -3.278 4.115 256 HG SER 32 HG SER 32 -2.261 -1.694 5.564 257 H LEU 33 H LEU 33 -0.340 -2.739 1.096 258 HA LEU 33 HA LEU 33 -1.741 -5.133 0.020 259 HB2 LEU 33 2HB LEU 33 0.158 -3.209 -1.364 260 HB3 LEU 33 3HB LEU 33 -0.425 -4.705 -2.078 261 HG LEU 33 HG LEU 33 -2.118 -2.288 -1.353 262 HD11 LEU 33 1HD1 LEU 33 -1.421 -3.477 -4.045 263 HD12 LEU 33 2HD1 LEU 33 -0.668 -2.047 -3.329 264 HD13 LEU 33 3HD1 LEU 33 -2.383 -2.026 -3.743 265 HD21 LEU 33 3HD2 LEU 33 -3.443 -4.315 -0.980 266 HD22 LEU 33 1HD2 LEU 33 -3.013 -4.923 -2.582 267 HD23 LEU 33 2HD2 LEU 33 -4.005 -3.471 -2.421 268 H ILE 34 H ILE 34 -0.721 -7.015 0.033 269 HA ILE 34 HA ILE 34 1.817 -7.307 1.384 270 HB ILE 34 HB ILE 34 -0.167 -9.332 0.239 271 HG12 ILE 34 2HG1 ILE 34 -0.316 -9.945 2.790 272 HG13 ILE 34 3HG1 ILE 34 0.462 -8.392 3.072 273 HG21 ILE 34 1HG2 ILE 34 2.050 -10.308 0.016 274 HG22 ILE 34 2HG2 ILE 34 1.183 -11.117 1.317 275 HG23 ILE 34 3HG2 ILE 34 2.428 -9.930 1.694 276 HD11 ILE 34 3HD1 ILE 34 -1.421 -7.242 2.030 277 HD12 ILE 34 1HD1 ILE 34 -1.963 -8.281 3.348 278 HD13 ILE 34 2HD1 ILE 34 -2.190 -8.791 1.676 279 H PHE 35 H PHE 35 3.612 -6.985 0.215 280 HA PHE 35 HA PHE 35 3.864 -8.081 -2.518 281 HB2 PHE 35 2HB PHE 35 5.658 -6.145 -0.974 282 HB3 PHE 35 3HB PHE 35 5.964 -6.725 -2.609 283 HD1 PHE 35 HD1 PHE 35 3.771 -4.555 -0.537 284 HD2 PHE 35 HD2 PHE 35 4.770 -5.791 -4.504 285 HE1 PHE 35 HE1 PHE 35 2.491 -2.666 -1.454 286 HE2 PHE 35 HE2 PHE 35 3.495 -3.907 -5.405 287 HZ PHE 35 HZ PHE 35 2.349 -2.336 -3.892 288 H THR 36 H THR 36 4.279 -10.186 -2.236 289 HA THR 36 HA THR 36 5.776 -11.261 -0.043 290 HB THR 36 HB THR 36 4.778 -12.584 -2.606 291 HG1 THR 36 HG1 THR 36 2.917 -12.319 -1.667 292 HG21 THR 36 3HG2 THR 36 5.619 -13.857 0.021 293 HG22 THR 36 1HG2 THR 36 6.513 -13.953 -1.498 294 HG23 THR 36 2HG2 THR 36 4.918 -14.696 -1.363 295 H GLN 37 H GLN 37 7.907 -10.811 -0.000 296 HA GLN 37 HA GLN 37 9.625 -10.782 -2.348 297 HB2 GLN 37 2HB GLN 37 10.040 -9.208 -0.490 298 HB3 GLN 37 3HB GLN 37 10.207 -10.542 0.643 299 HG2 GLN 37 2HG GLN 37 12.415 -9.946 0.283 300 HG3 GLN 37 3HG GLN 37 12.228 -11.258 -0.870 301 HE21 GLN 37 1HE2 GLN 37 10.814 -9.601 -2.904 302 HE22 GLN 37 2HE2 GLN 37 12.023 -8.564 -3.552 303 H SER 38 H SER 38 9.707 -12.863 -3.204 304 HA SER 38 HA SER 38 10.004 -15.163 -1.433 305 HB2 SER 38 2HB SER 38 8.410 -15.206 -3.348 306 HB3 SER 38 3HB SER 38 9.769 -15.105 -4.474 307 HG SER 38 HG SER 38 9.152 -17.166 -2.627 308 H GLY 39 H GLY 39 11.630 -16.710 -1.616 309 HA2 GLY 39 2HA GLY 39 14.006 -16.447 -3.204 310 HA3 GLY 39 3HA GLY 39 14.263 -15.984 -1.518 311 H LYS 40 H LYS 40 15.721 -17.839 -1.401 312 HA LYS 40 HA LYS 40 14.309 -20.269 -0.578 313 HB2 LYS 40 2HB LYS 40 15.872 -21.754 -1.779 314 HB3 LYS 40 3HB LYS 40 14.937 -20.770 -2.881 315 HG2 LYS 40 2HG LYS 40 16.989 -20.605 -3.899 316 HG3 LYS 40 3HG LYS 40 17.113 -19.220 -2.817 317 HD2 LYS 40 2HD LYS 40 18.387 -20.629 -1.195 318 HD3 LYS 40 3HD LYS 40 18.266 -21.995 -2.305 319 HE2 LYS 40 2HE LYS 40 19.662 -19.372 -2.891 320 HE3 LYS 40 3HE LYS 40 20.455 -20.872 -2.434 321 HZ1 LYS 40 3HZ LYS 40 18.874 -20.420 -4.901 322 HZ2 LYS 40 1HZ LYS 40 19.624 -21.875 -4.470 323 HZ3 LYS 40 2HZ LYS 40 20.561 -20.505 -4.796 324 H ARG 41 H ARG 41 15.281 -21.315 1.182 325 HA ARG 41 HA ARG 41 17.635 -19.976 2.374 326 HB2 ARG 41 2HB ARG 41 15.444 -20.181 3.724 327 HB3 ARG 41 3HB ARG 41 15.742 -21.911 3.797 328 HG2 ARG 41 2HG ARG 41 17.982 -21.356 4.887 329 HG3 ARG 41 3HG ARG 41 17.420 -19.688 5.000 330 HD2 ARG 41 2HD ARG 41 16.261 -22.143 6.339 331 HD3 ARG 41 3HD ARG 41 16.968 -20.727 7.123 332 HE ARG 41 HE ARG 41 14.367 -20.774 5.691 333 HH11 ARG 41 1HH1 ARG 41 16.337 -19.459 8.289 334 HH12 ARG 41 2HH1 ARG 41 15.053 -18.486 8.926 335 HH21 ARG 41 2HH2 ARG 41 12.674 -19.577 6.584 336 HH22 ARG 41 1HH2 ARG 41 12.962 -18.556 7.953 337 H ASP 42 H ASP 42 19.503 -21.022 2.152 338 HA ASP 42 HA ASP 42 19.785 -23.819 1.534 339 HB2 ASP 42 2HB ASP 42 21.431 -22.054 0.860 340 HB3 ASP 42 3HB ASP 42 21.831 -21.789 2.538 341 H LEU 43 H LEU 43 19.473 -25.370 3.036 342 HA LEU 43 HA LEU 43 19.042 -24.606 5.805 343 HB2 LEU 43 2HB LEU 43 18.588 -27.260 4.377 344 HB3 LEU 43 3HB LEU 43 18.122 -26.920 6.039 345 HG LEU 43 HG LEU 43 16.974 -25.634 3.529 346 HD11 LEU 43 1HD1 LEU 43 16.049 -27.846 4.016 347 HD12 LEU 43 2HD1 LEU 43 14.841 -26.597 4.286 348 HD13 LEU 43 3HD1 LEU 43 15.653 -27.349 5.662 349 HD21 LEU 43 3HD2 LEU 43 17.200 -23.882 5.186 350 HD22 LEU 43 1HD2 LEU 43 16.444 -24.893 6.422 351 HD23 LEU 43 2HD2 LEU 43 15.505 -24.327 5.039 352 H THR 44 H THR 44 21.708 -25.887 4.109 353 HA THR 44 HA THR 44 22.665 -27.508 6.368 354 HB THR 44 HB THR 44 22.998 -28.464 4.138 355 HG1 THR 44 HG1 THR 44 25.566 -27.810 5.152 356 HG21 THR 44 3HG2 THR 44 24.683 -27.580 2.569 357 HG22 THR 44 1HG2 THR 44 24.879 -26.153 3.588 358 HG23 THR 44 2HG2 THR 44 23.342 -26.453 2.778 359 H ASN 45 H ASN 45 23.588 -24.534 4.652 360 HA ASN 45 HA ASN 45 25.558 -23.780 6.665 361 HB2 ASN 45 2HB ASN 45 25.813 -23.134 4.255 362 HB3 ASN 45 3HB ASN 45 24.366 -22.139 4.372 363 HD21 ASN 45 1HD2 ASN 45 24.465 -20.238 5.739 364 HD22 ASN 45 2HD2 ASN 45 25.979 -19.474 6.055 365 H GLY 46 H GLY 46 22.202 -23.107 5.862 366 HA2 GLY 46 2HA GLY 46 20.511 -22.320 7.247 367 HA3 GLY 46 3HA GLY 46 21.689 -21.935 8.489 368 H LYS 47 H LYS 47 21.627 -20.917 5.106 369 HA LYS 47 HA LYS 47 21.535 -18.069 5.942 370 HB2 LYS 47 2HB LYS 47 22.785 -17.627 3.785 371 HB3 LYS 47 3HB LYS 47 23.695 -18.539 4.984 372 HG2 LYS 47 2HG LYS 47 23.236 -20.628 3.775 373 HG3 LYS 47 3HG LYS 47 22.283 -19.747 2.583 374 HD2 LYS 47 2HD LYS 47 25.270 -19.394 3.081 375 HD3 LYS 47 3HD LYS 47 24.548 -20.278 1.736 376 HE2 LYS 47 2HE LYS 47 23.454 -18.152 0.998 377 HE3 LYS 47 3HE LYS 47 24.322 -17.304 2.278 378 HZ1 LYS 47 3HZ LYS 47 26.413 -17.992 1.244 379 HZ2 LYS 47 1HZ LYS 47 25.458 -17.097 0.167 380 HZ3 LYS 47 2HZ LYS 47 25.559 -18.776 0.013 381 H GLU 48 H GLU 48 20.123 -16.720 4.925 382 HA GLU 48 HA GLU 48 18.019 -17.909 3.232 383 HB2 GLU 48 2HB GLU 48 18.187 -15.332 4.847 384 HB3 GLU 48 3HB GLU 48 16.801 -15.768 3.849 385 HG2 GLU 48 2HG GLU 48 16.226 -17.609 5.254 386 HG3 GLU 48 3HG GLU 48 17.779 -17.568 6.073 387 H ILE 49 H ILE 49 18.493 -17.745 1.136 388 HA ILE 49 HA ILE 49 19.904 -15.395 0.045 389 HB ILE 49 HB ILE 49 19.146 -17.973 -1.445 390 HG12 ILE 49 2HG1 ILE 49 21.749 -18.347 -1.344 391 HG13 ILE 49 3HG1 ILE 49 21.719 -17.227 0.013 392 HG21 ILE 49 1HG2 ILE 49 21.007 -15.697 -2.230 393 HG22 ILE 49 2HG2 ILE 49 19.412 -16.022 -2.911 394 HG23 ILE 49 3HG2 ILE 49 20.727 -17.168 -3.167 395 HD11 ILE 49 3HD1 ILE 49 20.229 -18.734 1.226 396 HD12 ILE 49 1HD1 ILE 49 21.719 -19.544 0.744 397 HD13 ILE 49 2HD1 ILE 49 20.227 -19.847 -0.144 398 H TRP 50 H TRP 50 18.593 -13.786 -0.655 399 HA TRP 50 HA TRP 50 15.828 -14.383 -1.523 400 HB2 TRP 50 2HB TRP 50 17.111 -11.719 -0.726 401 HB3 TRP 50 3HB TRP 50 15.400 -11.992 -1.073 402 HD1 TRP 50 HD1 TRP 50 17.910 -12.191 1.730 403 HE1 TRP 50 HE1 TRP 50 16.791 -13.117 3.844 404 HE3 TRP 50 HE3 TRP 50 13.491 -13.723 -0.317 405 HZ2 TRP 50 HZ2 TRP 50 14.345 -14.328 4.560 406 HZ3 TRP 50 HZ3 TRP 50 11.815 -14.760 1.141 407 HH2 TRP 50 HH2 TRP 50 12.227 -15.059 3.531 408 H ASP 51 H ASP 51 15.375 -14.261 -3.633 409 HA ASP 51 HA ASP 51 17.398 -13.992 -5.573 410 HB2 ASP 51 2HB ASP 51 15.293 -15.353 -5.800 411 HB3 ASP 51 3HB ASP 51 14.372 -13.864 -5.975 412 H SER 52 H SER 52 18.374 -12.122 -6.059 413 HA SER 52 HA SER 52 17.446 -9.547 -5.369 414 HB2 SER 52 2HB SER 52 19.691 -10.269 -7.298 415 HB3 SER 52 3HB SER 52 19.488 -8.730 -6.464 416 HG SER 52 HG SER 52 19.472 -10.468 -4.555 417 H LYS 53 H LYS 53 16.951 -11.438 -8.219 418 HA LYS 53 HA LYS 53 16.250 -9.239 -9.995 419 HB2 LYS 53 2HB LYS 53 15.642 -12.205 -10.362 420 HB3 LYS 53 3HB LYS 53 15.703 -10.966 -11.611 421 HG2 LYS 53 2HG LYS 53 18.138 -10.753 -11.317 422 HG3 LYS 53 3HG LYS 53 18.089 -11.937 -10.010 423 HD2 LYS 53 2HD LYS 53 17.228 -13.649 -11.635 424 HD3 LYS 53 3HD LYS 53 17.407 -12.462 -12.930 425 HE2 LYS 53 2HE LYS 53 19.305 -13.986 -12.914 426 HE3 LYS 53 3HE LYS 53 19.853 -12.366 -12.471 427 HZ1 LYS 53 3HZ LYS 53 19.254 -14.554 -10.546 428 HZ2 LYS 53 1HZ LYS 53 19.867 -13.022 -10.166 429 HZ3 LYS 53 2HZ LYS 53 20.803 -14.110 -11.059 430 H TRP 54 H TRP 54 14.694 -11.154 -7.584 431 HA TRP 54 HA TRP 54 12.109 -11.393 -8.582 432 HB2 TRP 54 2HB TRP 54 12.871 -12.709 -6.643 433 HB3 TRP 54 3HB TRP 54 12.938 -11.255 -5.647 434 HD1 TRP 54 HD1 TRP 54 10.660 -10.454 -4.541 435 HE1 TRP 54 HE1 TRP 54 8.253 -11.312 -4.586 436 HE3 TRP 54 HE3 TRP 54 11.098 -14.025 -8.198 437 HZ2 TRP 54 HZ2 TRP 54 6.724 -13.247 -5.930 438 HZ3 TRP 54 HZ3 TRP 54 9.105 -15.339 -8.794 439 HH2 TRP 54 HH2 TRP 54 6.964 -14.957 -7.682 440 H SER 55 H SER 55 10.289 -10.246 -8.432 441 HA SER 55 HA SER 55 10.197 -7.592 -7.268 442 HB2 SER 55 2HB SER 55 9.626 -6.565 -9.475 443 HB3 SER 55 3HB SER 55 11.266 -7.187 -9.442 444 HG SER 55 HG SER 55 10.783 -8.455 -11.022 445 H LEU 56 H LEU 56 8.167 -7.134 -6.633 446 HA LEU 56 HA LEU 56 5.946 -8.885 -7.535 447 HB2 LEU 56 2HB LEU 56 7.031 -9.193 -5.107 448 HB3 LEU 56 3HB LEU 56 6.100 -7.764 -4.704 449 HG LEU 56 HG LEU 56 4.914 -9.775 -3.998 450 HD11 LEU 56 1HD1 LEU 56 3.493 -7.926 -4.725 451 HD12 LEU 56 2HD1 LEU 56 2.726 -9.478 -5.041 452 HD13 LEU 56 3HD1 LEU 56 3.456 -8.568 -6.367 453 HD21 LEU 56 3HD2 LEU 56 4.980 -10.710 -6.888 454 HD22 LEU 56 1HD2 LEU 56 4.132 -11.508 -5.560 455 HD23 LEU 56 2HD2 LEU 56 5.887 -11.402 -5.543 456 H THR 57 H THR 57 4.299 -7.709 -8.401 457 HA THR 57 HA THR 57 4.096 -4.814 -7.788 458 HB THR 57 HB THR 57 3.092 -6.268 -10.293 459 HG1 THR 57 HG1 THR 57 5.360 -6.312 -10.201 460 HG21 THR 57 3HG2 THR 57 1.935 -4.119 -9.822 461 HG22 THR 57 1HG2 THR 57 2.933 -4.020 -11.268 462 HG23 THR 57 2HG2 THR 57 3.496 -3.292 -9.759 463 H GLN 58 H GLN 58 2.212 -4.083 -6.919 464 HA GLN 58 HA GLN 58 -0.247 -5.738 -7.050 465 HB2 GLN 58 2HB GLN 58 0.872 -4.399 -4.546 466 HB3 GLN 58 3HB GLN 58 -0.783 -4.966 -4.683 467 HG2 GLN 58 2HG GLN 58 1.629 -6.779 -4.910 468 HG3 GLN 58 3HG GLN 58 0.778 -6.462 -3.402 469 HE21 GLN 58 1HE2 GLN 58 1.115 -9.011 -4.623 470 HE22 GLN 58 2HE2 GLN 58 -0.454 -9.619 -4.994 471 H THR 59 H THR 59 -2.151 -4.493 -7.162 472 HA THR 59 HA THR 59 -1.786 -1.741 -8.120 473 HB THR 59 HB THR 59 -4.346 -3.424 -8.139 474 HG1 THR 59 HG1 THR 59 -2.078 -3.843 -9.514 475 HG21 THR 59 3HG2 THR 59 -4.676 -1.001 -8.571 476 HG22 THR 59 1HG2 THR 59 -4.977 -1.952 -10.024 477 HG23 THR 59 2HG2 THR 59 -3.466 -1.058 -9.856 478 H PHE 60 H PHE 60 -2.002 -0.128 -6.578 479 HA PHE 60 HA PHE 60 -3.558 -0.399 -4.199 480 HB2 PHE 60 2HB PHE 60 -2.118 1.948 -5.483 481 HB3 PHE 60 3HB PHE 60 -3.179 2.202 -4.096 482 HD1 PHE 60 HD1 PHE 60 -2.782 0.738 -2.005 483 HD2 PHE 60 HD2 PHE 60 0.134 1.253 -5.079 484 HE1 PHE 60 HE1 PHE 60 -1.026 -0.009 -0.458 485 HE2 PHE 60 HE2 PHE 60 1.898 0.511 -3.524 486 HZ PHE 60 HZ PHE 60 1.302 -0.125 -1.212 487 H GLU 61 H GLU 61 -5.534 -0.913 -4.579 488 HA GLU 61 HA GLU 61 -7.456 1.096 -5.451 489 HB2 GLU 61 2HB GLU 61 -8.661 -0.489 -6.928 490 HB3 GLU 61 3HB GLU 61 -7.028 -0.213 -7.532 491 HG2 GLU 61 2HG GLU 61 -6.273 -2.355 -6.673 492 HG3 GLU 61 3HG GLU 61 -7.806 -2.623 -5.851 493 H ALA 62 H ALA 62 -9.729 -0.541 -5.259 494 HA ALA 62 HA ALA 62 -11.198 -1.525 -3.850 495 HB1 ALA 62 3HB ALA 62 -9.707 -3.482 -4.070 496 HB2 ALA 62 1HB ALA 62 -10.436 -3.417 -2.464 497 HB3 ALA 62 2HB ALA 62 -8.757 -2.925 -2.694 498 H LEU 63 H LEU 63 -9.952 0.993 -3.148 499 HA LEU 63 HA LEU 63 -10.532 1.151 -0.253 500 HB2 LEU 63 2HB LEU 63 -8.118 1.652 -1.102 501 HB3 LEU 63 3HB LEU 63 -8.781 3.094 -1.839 502 HG LEU 63 HG LEU 63 -7.653 3.625 0.284 503 HD11 LEU 63 1HD1 LEU 63 -9.556 5.036 -0.311 504 HD12 LEU 63 2HD1 LEU 63 -9.415 4.879 1.439 505 HD13 LEU 63 3HD1 LEU 63 -10.657 3.961 0.564 506 HD21 LEU 63 3HD2 LEU 63 -7.940 1.458 1.415 507 HD22 LEU 63 1HD2 LEU 63 -9.654 1.793 1.648 508 HD23 LEU 63 2HD2 LEU 63 -8.437 2.791 2.448 509 HA PRO 64 HA PRO 64 -13.854 3.665 -2.295 510 HB2 PRO 64 2HB PRO 64 -15.933 2.764 -0.828 511 HB3 PRO 64 3HB PRO 64 -15.204 1.724 -2.069 512 HG2 PRO 64 2HG PRO 64 -14.774 1.696 0.897 513 HG3 PRO 64 3HG PRO 64 -15.035 0.342 -0.206 514 HD2 PRO 64 2HD PRO 64 -12.547 1.132 0.660 515 HD3 PRO 64 3HD PRO 64 -12.840 0.248 -0.853 516 H SER 65 H SER 65 -14.797 5.613 -1.534 517 HA SER 65 HA SER 65 -14.192 6.440 1.251 518 HB2 SER 65 2HB SER 65 -14.937 8.114 -1.190 519 HB3 SER 65 3HB SER 65 -14.496 8.742 0.399 520 HG SER 65 HG SER 65 -12.535 7.149 -0.267 521 HA PRO 66 HA PRO 66 -18.622 6.319 2.317 522 HB2 PRO 66 2HB PRO 66 -18.743 8.617 3.954 523 HB3 PRO 66 3HB PRO 66 -18.253 7.001 4.495 524 HG2 PRO 66 2HG PRO 66 -16.535 9.318 3.696 525 HG3 PRO 66 3HG PRO 66 -16.329 8.158 5.035 526 HD2 PRO 66 2HD PRO 66 -14.889 7.907 2.789 527 HD3 PRO 66 3HD PRO 66 -15.516 6.474 3.629 528 H VAL 67 H VAL 67 -20.230 6.905 0.995 529 HA VAL 67 HA VAL 67 -20.230 9.245 -0.671 530 HB VAL 67 HB VAL 67 -22.464 7.249 -0.018 531 HG11 VAL 67 1HG1 VAL 67 -23.446 9.356 -0.797 532 HG12 VAL 67 2HG1 VAL 67 -23.635 8.108 -2.027 533 HG13 VAL 67 3HG1 VAL 67 -22.398 9.354 -2.217 534 HG21 VAL 67 3HG2 VAL 67 -20.619 7.398 -2.440 535 HG22 VAL 67 1HG2 VAL 67 -21.932 6.237 -2.216 536 HG23 VAL 67 2HG2 VAL 67 -20.534 6.206 -1.144 537 H ILE 68 H ILE 68 -20.401 11.197 0.297 538 HA ILE 68 HA ILE 68 -22.292 11.602 2.543 539 HB ILE 68 HB ILE 68 -19.860 13.286 1.707 540 HG12 ILE 68 2HG1 ILE 68 -20.290 11.422 4.097 541 HG13 ILE 68 3HG1 ILE 68 -19.142 11.199 2.785 542 HG21 ILE 68 1HG2 ILE 68 -21.720 13.666 4.089 543 HG22 ILE 68 2HG2 ILE 68 -21.648 14.696 2.658 544 HG23 ILE 68 3HG2 ILE 68 -20.267 14.608 3.746 545 HD11 ILE 68 3HD1 ILE 68 -19.036 13.346 4.906 546 HD12 ILE 68 1HD1 ILE 68 -17.891 13.172 3.573 547 HD13 ILE 68 2HD1 ILE 68 -18.023 11.908 4.793 548 H ILE 69 H ILE 69 -23.949 13.035 2.284 549 HA ILE 69 HA ILE 69 -24.618 13.895 -0.416 550 HB ILE 69 HB ILE 69 -26.210 14.084 2.194 551 HG12 ILE 69 2HG1 ILE 69 -25.826 11.725 1.580 552 HG13 ILE 69 3HG1 ILE 69 -27.516 12.136 1.337 553 HG21 ILE 69 1HG2 ILE 69 -27.171 14.505 -0.660 554 HG22 ILE 69 2HG2 ILE 69 -26.989 15.751 0.577 555 HG23 ILE 69 3HG2 ILE 69 -28.190 14.478 0.781 556 HD11 ILE 69 3HD1 ILE 69 -26.708 10.712 -0.451 557 HD12 ILE 69 1HD1 ILE 69 -25.423 11.859 -0.830 558 HD13 ILE 69 2HD1 ILE 69 -27.111 12.302 -1.092 559 H GLY 70 H GLY 70 -24.575 15.998 -1.119 560 HA2 GLY 70 2HA GLY 70 -24.378 18.305 -1.052 561 HA3 GLY 70 3HA GLY 70 -24.240 18.252 0.700 562 H TYR 71 H TYR 71 -22.079 15.987 -0.269 563 HA TYR 71 HA TYR 71 -19.857 17.871 -0.769 564 HB2 TYR 71 2HB TYR 71 -19.874 15.663 1.345 565 HB3 TYR 71 3HB TYR 71 -18.423 16.516 0.821 566 HD1 TYR 71 HD2 TYR 71 -18.113 18.926 1.393 567 HD2 TYR 71 HD1 TYR 71 -21.439 16.704 2.880 568 HE1 TYR 71 HE2 TYR 71 -18.508 20.652 3.086 569 HE2 TYR 71 HE1 TYR 71 -21.834 18.413 4.575 570 HH TYR 71 HH TYR 71 -20.572 20.196 5.745 571 H THR 72 H THR 72 -17.911 16.767 -1.508 572 HA THR 72 HA THR 72 -18.085 14.024 -2.462 573 HB THR 72 HB THR 72 -17.481 16.334 -4.405 574 HG1 THR 72 HG1 THR 72 -19.796 14.890 -3.860 575 HG21 THR 72 3HG2 THR 72 -17.605 13.331 -4.914 576 HG22 THR 72 1HG2 THR 72 -16.133 14.299 -4.872 577 HG23 THR 72 2HG2 THR 72 -17.334 14.578 -6.133 578 H ALA 73 H ALA 73 -16.128 13.107 -2.053 579 HA ALA 73 HA ALA 73 -13.911 14.479 -0.972 580 HB1 ALA 73 3HB ALA 73 -14.341 12.125 -0.517 581 HB2 ALA 73 1HB ALA 73 -12.734 12.325 -1.214 582 HB3 ALA 73 2HB ALA 73 -14.059 11.718 -2.209 583 H ASP 74 H ASP 74 -11.820 14.795 -1.867 584 HA ASP 74 HA ASP 74 -11.671 15.829 -4.498 585 HB2 ASP 74 2HB ASP 74 -10.234 16.526 -2.537 586 HB3 ASP 74 3HB ASP 74 -9.378 14.996 -2.657 587 H LYS 75 H LYS 75 -10.737 12.808 -3.024 588 HA LYS 75 HA LYS 75 -10.861 11.449 -5.610 589 HB2 LYS 75 2HB LYS 75 -9.007 9.874 -4.845 590 HB3 LYS 75 3HB LYS 75 -8.500 11.466 -5.360 591 HG2 LYS 75 2HG LYS 75 -8.883 10.873 -2.419 592 HG3 LYS 75 3HG LYS 75 -7.410 10.372 -3.243 593 HD2 LYS 75 2HD LYS 75 -8.420 13.243 -3.194 594 HD3 LYS 75 3HD LYS 75 -7.266 12.594 -2.031 595 HE2 LYS 75 2HE LYS 75 -6.809 12.629 -5.031 596 HE3 LYS 75 3HE LYS 75 -6.213 13.860 -3.923 597 HZ1 LYS 75 3HZ LYS 75 -5.523 10.978 -3.755 598 HZ2 LYS 75 1HZ LYS 75 -4.887 12.230 -2.810 599 HZ3 LYS 75 2HZ LYS 75 -4.551 12.167 -4.466 600 HA PRO 76 HA PRO 76 -13.752 9.497 -2.563 601 HB2 PRO 76 2HB PRO 76 -15.799 9.042 -4.298 602 HB3 PRO 76 3HB PRO 76 -15.495 10.655 -3.620 603 HG2 PRO 76 2HG PRO 76 -14.724 9.570 -6.303 604 HG3 PRO 76 3HG PRO 76 -15.452 11.141 -5.892 605 HD2 PRO 76 2HD PRO 76 -12.774 10.823 -6.349 606 HD3 PRO 76 3HD PRO 76 -13.424 12.063 -5.252 607 H MET 77 H MET 77 -12.067 8.419 -5.259 608 HA MET 77 HA MET 77 -12.126 5.638 -4.347 609 HB2 MET 77 2HB MET 77 -13.766 5.499 -6.106 610 HB3 MET 77 3HB MET 77 -12.857 6.574 -7.156 611 HG2 MET 77 2HG MET 77 -12.790 4.266 -7.955 612 HG3 MET 77 3HG MET 77 -11.180 4.838 -7.526 613 HE1 MET 77 3HE MET 77 -11.084 0.985 -6.667 614 HE2 MET 77 1HE MET 77 -10.380 2.266 -7.651 615 HE3 MET 77 2HE MET 77 -12.023 1.709 -7.973 616 H VAL 78 H VAL 78 -10.013 5.334 -3.897 617 HA VAL 78 HA VAL 78 -7.884 6.889 -4.932 618 HB VAL 78 HB VAL 78 -7.842 4.176 -3.520 619 HG11 VAL 78 1HG1 VAL 78 -5.485 6.009 -4.096 620 HG12 VAL 78 2HG1 VAL 78 -5.758 4.416 -4.798 621 HG13 VAL 78 3HG1 VAL 78 -5.438 4.574 -3.072 622 HG21 VAL 78 3HG2 VAL 78 -7.172 5.499 -1.530 623 HG22 VAL 78 1HG2 VAL 78 -8.753 5.988 -2.138 624 HG23 VAL 78 2HG2 VAL 78 -7.335 6.989 -2.463 625 H GLY 79 H GLY 79 -6.995 6.805 -6.901 626 HA2 GLY 79 2HA GLY 79 -7.947 5.217 -8.978 627 HA3 GLY 79 3HA GLY 79 -6.488 6.187 -9.038 628 HA PRO 80 HA PRO 80 -5.678 1.404 -8.421 629 HB2 PRO 80 2HB PRO 80 -5.976 0.307 -10.936 630 HB3 PRO 80 3HB PRO 80 -7.267 0.333 -9.721 631 HG2 PRO 80 2HG PRO 80 -6.846 2.159 -12.061 632 HG3 PRO 80 3HG PRO 80 -8.349 1.423 -11.451 633 HD2 PRO 80 2HD PRO 80 -7.695 3.999 -10.894 634 HD3 PRO 80 3HD PRO 80 -8.591 2.982 -9.747 635 H ASP 81 H ASP 81 -3.586 2.111 -8.081 636 HA ASP 81 HA ASP 81 -1.840 2.539 -10.462 637 HB2 ASP 81 2HB ASP 81 -1.614 3.658 -7.634 638 HB3 ASP 81 3HB ASP 81 -0.292 3.728 -8.794 639 H GLU 82 H GLU 82 -0.713 0.791 -10.911 640 HA GLU 82 HA GLU 82 -0.027 -1.250 -8.998 641 HB2 GLU 82 2HB GLU 82 0.781 -0.841 -11.906 642 HB3 GLU 82 3HB GLU 82 1.249 -2.248 -10.951 643 HG2 GLU 82 2HG GLU 82 -1.164 -2.762 -10.599 644 HG3 GLU 82 3HG GLU 82 -1.565 -1.404 -11.644 645 H VAL 83 H VAL 83 1.554 -1.134 -7.635 646 HA VAL 83 HA VAL 83 4.031 0.388 -8.205 647 HB VAL 83 HB VAL 83 2.722 -0.333 -5.519 648 HG11 VAL 83 1HG1 VAL 83 5.274 1.240 -6.054 649 HG12 VAL 83 2HG1 VAL 83 5.167 -0.361 -5.321 650 HG13 VAL 83 3HG1 VAL 83 4.499 1.034 -4.479 651 HG21 VAL 83 3HG2 VAL 83 3.044 2.356 -6.920 652 HG22 VAL 83 1HG2 VAL 83 2.363 2.111 -5.307 653 HG23 VAL 83 2HG2 VAL 83 1.541 1.454 -6.720 654 H THR 84 H THR 84 5.925 -0.747 -8.166 655 HA THR 84 HA THR 84 5.837 -3.652 -7.638 656 HB THR 84 HB THR 84 7.957 -2.066 -9.177 657 HG1 THR 84 HG1 THR 84 5.767 -3.591 -10.180 658 HG21 THR 84 3HG2 THR 84 8.614 -4.268 -10.072 659 HG22 THR 84 1HG2 THR 84 7.396 -5.058 -9.061 660 HG23 THR 84 2HG2 THR 84 8.771 -4.235 -8.319 661 H VAL 85 H VAL 85 6.404 -3.967 -5.490 662 HA VAL 85 HA VAL 85 8.901 -2.718 -4.515 663 HB VAL 85 HB VAL 85 6.992 -4.615 -3.046 664 HG11 VAL 85 1HG1 VAL 85 9.463 -3.169 -2.002 665 HG12 VAL 85 2HG1 VAL 85 9.301 -4.909 -2.249 666 HG13 VAL 85 3HG1 VAL 85 8.328 -4.103 -1.022 667 HG21 VAL 85 3HG2 VAL 85 6.349 -2.660 -1.721 668 HG22 VAL 85 1HG2 VAL 85 6.062 -2.345 -3.431 669 HG23 VAL 85 2HG2 VAL 85 7.466 -1.644 -2.630 670 H ASP 86 H ASP 86 10.567 -3.621 -5.335 671 HA ASP 86 HA ASP 86 10.783 -6.530 -5.771 672 HB2 ASP 86 2HB ASP 86 12.673 -5.843 -7.374 673 HB3 ASP 86 3HB ASP 86 11.037 -5.450 -7.887 674 H SER 87 H SER 87 13.244 -7.064 -5.768 675 HA SER 87 HA SER 87 13.992 -7.067 -3.063 676 HB2 SER 87 2HB SER 87 15.613 -7.761 -5.529 677 HB3 SER 87 3HB SER 87 16.031 -8.221 -3.874 678 HG SER 87 HG SER 87 14.825 -9.893 -4.315 679 H LYS 88 H LYS 88 14.772 -4.776 -5.537 680 HA LYS 88 HA LYS 88 17.166 -3.715 -4.307 681 HB2 LYS 88 2HB LYS 88 15.431 -2.532 -6.523 682 HB3 LYS 88 3HB LYS 88 17.077 -2.052 -6.113 683 HG2 LYS 88 2HG LYS 88 17.951 -4.212 -6.827 684 HG3 LYS 88 3HG LYS 88 16.315 -4.824 -7.092 685 HD2 LYS 88 2HD LYS 88 15.991 -3.111 -8.889 686 HD3 LYS 88 3HD LYS 88 17.664 -2.585 -8.656 687 HE2 LYS 88 2HE LYS 88 18.479 -4.814 -9.303 688 HE3 LYS 88 3HE LYS 88 16.818 -5.389 -9.467 689 HZ1 LYS 88 3HZ LYS 88 16.491 -3.721 -11.225 690 HZ2 LYS 88 1HZ LYS 88 17.700 -4.845 -11.611 691 HZ3 LYS 88 2HZ LYS 88 18.122 -3.288 -11.112 692 H ASN 89 H ASN 89 13.765 -2.543 -4.723 693 HA ASN 89 HA ASN 89 14.260 -0.394 -2.766 694 HB2 ASN 89 2HB ASN 89 12.312 0.692 -3.521 695 HB3 ASN 89 3HB ASN 89 13.002 0.009 -4.982 696 HD21 ASN 89 1HD2 ASN 89 11.820 -1.586 -6.079 697 HD22 ASN 89 2HD2 ASN 89 10.187 -1.953 -5.685 698 H PHE 90 H PHE 90 13.625 -3.503 -2.393 699 HA PHE 90 HA PHE 90 11.370 -3.887 -0.829 700 HB2 PHE 90 2HB PHE 90 12.705 -5.759 -1.638 701 HB3 PHE 90 3HB PHE 90 14.092 -5.243 -0.690 702 HD1 PHE 90 HD2 PHE 90 10.474 -6.158 -0.098 703 HD2 PHE 90 HD1 PHE 90 14.522 -6.496 1.246 704 HE1 PHE 90 HE2 PHE 90 9.755 -7.629 1.736 705 HE2 PHE 90 HE1 PHE 90 13.783 -7.965 3.080 706 HZ PHE 90 HZ PHE 90 11.396 -8.529 3.330 707 H LEU 91 H LEU 91 14.448 -2.519 0.084 708 HA LEU 91 HA LEU 91 14.021 -2.717 2.932 709 HB2 LEU 91 2HB LEU 91 16.150 -1.264 1.311 710 HB3 LEU 91 3HB LEU 91 16.140 -1.363 3.064 711 HG LEU 91 HG LEU 91 17.700 -3.005 2.378 712 HD11 LEU 91 1HD1 LEU 91 15.095 -4.486 2.892 713 HD12 LEU 91 2HD1 LEU 91 16.194 -3.832 4.113 714 HD13 LEU 91 3HD1 LEU 91 16.724 -5.156 3.079 715 HD21 LEU 91 3HD2 LEU 91 15.721 -4.063 0.325 716 HD22 LEU 91 1HD2 LEU 91 17.325 -4.721 0.663 717 HD23 LEU 91 2HD2 LEU 91 17.163 -3.107 -0.021 718 H ASP 92 H ASP 92 13.277 -0.425 0.460 719 HA ASP 92 HA ASP 92 12.854 1.788 2.344 720 HB2 ASP 92 2HB ASP 92 12.654 1.678 -0.711 721 HB3 ASP 92 3HB ASP 92 12.414 3.125 0.268 722 H LYS 93 H LYS 93 10.924 1.837 3.347 723 HA LYS 93 HA LYS 93 8.525 0.646 2.242 724 HB2 LYS 93 2HB LYS 93 7.418 1.479 4.322 725 HB3 LYS 93 3HB LYS 93 8.834 0.486 4.638 726 HG2 LYS 93 2HG LYS 93 10.158 2.550 5.033 727 HG3 LYS 93 3HG LYS 93 8.695 3.513 4.829 728 HD2 LYS 93 2HD LYS 93 9.146 1.402 6.979 729 HD3 LYS 93 3HD LYS 93 9.217 3.145 7.226 730 HE2 LYS 93 2HE LYS 93 6.819 3.307 6.589 731 HE3 LYS 93 3HE LYS 93 6.763 1.553 6.404 732 HZ1 LYS 93 3HZ LYS 93 7.336 1.351 8.767 733 HZ2 LYS 93 1HZ LYS 93 5.894 2.202 8.540 734 HZ3 LYS 93 2HZ LYS 93 7.317 3.035 8.922 735 H GLN 94 H GLN 94 7.684 1.625 0.595 736 HA GLN 94 HA GLN 94 7.597 4.547 0.316 737 HB2 GLN 94 2HB GLN 94 6.662 3.961 -2.004 738 HB3 GLN 94 3HB GLN 94 8.335 3.558 -1.673 739 HG2 GLN 94 2HG GLN 94 7.717 1.198 -1.329 740 HG3 GLN 94 3HG GLN 94 6.028 1.589 -1.658 741 HE21 GLN 94 1HE2 GLN 94 8.053 -0.139 -3.073 742 HE22 GLN 94 2HE2 GLN 94 7.982 0.367 -4.717 743 H ASN 95 H ASN 95 6.038 3.459 2.361 744 HA ASN 95 HA ASN 95 3.268 3.353 1.738 745 HB2 ASN 95 2HB ASN 95 2.930 3.565 4.187 746 HB3 ASN 95 3HB ASN 95 4.141 2.350 3.800 747 HD21 ASN 95 1HD2 ASN 95 3.565 4.364 6.129 748 HD22 ASN 95 2HD2 ASN 95 5.136 4.967 6.502 749 H ARG 96 H ARG 96 1.652 4.938 2.320 750 HA ARG 96 HA ARG 96 2.586 7.758 2.295 751 HB2 ARG 96 2HB ARG 96 0.453 6.469 0.539 752 HB3 ARG 96 3HB ARG 96 0.491 8.204 0.820 753 HG2 ARG 96 2HG ARG 96 2.712 6.597 -0.487 754 HG3 ARG 96 3HG ARG 96 1.518 7.588 -1.327 755 HD2 ARG 96 2HD ARG 96 3.719 8.499 0.528 756 HD3 ARG 96 3HD ARG 96 3.506 8.906 -1.174 757 HE ARG 96 HE ARG 96 2.352 10.218 1.094 758 HH11 ARG 96 2HH1 ARG 96 1.723 9.563 -2.325 759 HH12 ARG 96 1HH1 ARG 96 0.670 10.930 -2.500 760 HH21 ARG 96 2HH2 ARG 96 0.943 11.959 0.839 761 HH22 ARG 96 1HH2 ARG 96 0.229 12.279 -0.707 762 H GLU 97 H GLU 97 1.569 9.094 3.647 763 HA GLU 97 HA GLU 97 -1.034 8.371 4.846 764 HB2 GLU 97 2HB GLU 97 0.822 9.104 6.372 765 HB3 GLU 97 3HB GLU 97 0.891 10.653 5.548 766 HG2 GLU 97 2HG GLU 97 -1.643 9.693 6.897 767 HG3 GLU 97 3HG GLU 97 -0.368 10.482 7.810 768 H GLU 98 H GLU 98 -2.649 8.950 3.521 769 HA GLU 98 HA GLU 98 -2.528 11.541 2.087 770 HB2 GLU 98 2HB GLU 98 -2.616 9.672 0.516 771 HB3 GLU 98 3HB GLU 98 -3.986 8.952 1.355 772 HG2 GLU 98 2HG GLU 98 -5.456 10.715 0.671 773 HG3 GLU 98 3HG GLU 98 -4.128 11.697 0.066 774 H THR 99 H THR 99 -4.014 13.004 2.587 775 HA THR 99 HA THR 99 -6.536 12.191 3.918 776 HB THR 99 HB THR 99 -5.190 14.943 3.859 777 HG1 THR 99 HG1 THR 99 -4.263 13.195 5.217 778 HG21 THR 99 3HG2 THR 99 -7.657 15.130 3.996 779 HG22 THR 99 1HG2 THR 99 -6.904 15.585 5.522 780 HG23 THR 99 2HG2 THR 99 -7.675 14.005 5.358 781 H VAL 100 H VAL 100 -8.210 12.094 2.522 782 HA VAL 100 HA VAL 100 -8.216 13.661 0.044 783 HB VAL 100 HB VAL 100 -9.845 12.246 -0.791 784 HG11 VAL 100 1HG1 VAL 100 -9.395 9.900 -0.167 785 HG12 VAL 100 2HG1 VAL 100 -8.588 10.435 1.310 786 HG13 VAL 100 3HG1 VAL 100 -7.903 10.837 -0.265 787 HG21 VAL 100 3HG2 VAL 100 -11.630 12.695 0.790 788 HG22 VAL 100 1HG2 VAL 100 -10.882 11.651 2.001 789 HG23 VAL 100 2HG2 VAL 100 -11.520 10.962 0.505 790 H ILE 101 H ILE 101 -9.687 15.336 -0.314 791 HA ILE 101 HA ILE 101 -10.837 16.551 2.134 792 HB ILE 101 HB ILE 101 -9.899 17.766 -0.501 793 HG12 ILE 101 2HG1 ILE 101 -8.075 17.150 1.026 794 HG13 ILE 101 3HG1 ILE 101 -8.195 18.900 0.907 795 HG21 ILE 101 1HG2 ILE 101 -11.181 19.231 1.830 796 HG22 ILE 101 2HG2 ILE 101 -11.861 19.026 0.214 797 HG23 ILE 101 3HG2 ILE 101 -10.406 19.995 0.440 798 HD11 ILE 101 3HD1 ILE 101 -9.356 18.939 3.104 799 HD12 ILE 101 1HD1 ILE 101 -7.740 18.236 3.193 800 HD13 ILE 101 2HD1 ILE 101 -9.156 17.188 3.214 801 H TYR 102 H TYR 102 -12.999 16.338 2.330 802 HA TYR 102 HA TYR 102 -14.787 16.086 0.077 803 HB2 TYR 102 2HB TYR 102 -15.256 16.188 3.091 804 HB3 TYR 102 3HB TYR 102 -16.578 16.141 1.925 805 HD1 TYR 102 HD1 TYR 102 -13.567 14.247 3.084 806 HD2 TYR 102 HD2 TYR 102 -17.298 14.076 1.005 807 HE1 TYR 102 HE1 TYR 102 -13.389 11.811 2.956 808 HE2 TYR 102 HE2 TYR 102 -17.115 11.633 0.894 809 HH TYR 102 HH TYR 102 -15.527 9.917 1.033 810 H SER 103 H SER 103 -15.106 17.906 -1.082 811 HA SER 103 HA SER 103 -15.505 20.475 0.309 812 HB2 SER 103 2HB SER 103 -13.882 20.687 -1.471 813 HB3 SER 103 3HB SER 103 -14.873 19.764 -2.590 814 HG SER 103 HG SER 103 -16.083 22.046 -1.590 815 H ALA 104 H ALA 104 -17.439 21.617 -0.176 816 HA ALA 104 HA ALA 104 -19.868 20.375 -0.538 817 HB1 ALA 104 3HB ALA 104 -19.051 23.175 -1.398 818 HB2 ALA 104 1HB ALA 104 -19.667 22.701 0.187 819 HB3 ALA 104 2HB ALA 104 -20.715 22.615 -1.227 820 H ASN 105 H ASN 105 -20.924 19.484 -2.310 821 HA ASN 105 HA ASN 105 -19.404 18.924 -4.645 822 HB2 ASN 105 2HB ASN 105 -21.469 17.786 -5.502 823 HB3 ASN 105 3HB ASN 105 -20.978 17.253 -3.899 824 HD21 ASN 105 1HD2 ASN 105 -23.100 16.435 -3.629 825 HD22 ASN 105 2HD2 ASN 105 -24.405 17.481 -3.216 826 H THR 106 H THR 106 -20.060 19.361 -6.883 827 HA THR 106 HA THR 106 -20.195 22.105 -7.449 828 HB THR 106 HB THR 106 -19.189 20.480 -9.013 829 HG1 THR 106 HG1 THR 106 -21.346 21.856 -10.272 830 HG21 THR 106 3HG2 THR 106 -22.031 19.649 -9.691 831 HG22 THR 106 1HG2 THR 106 -20.854 18.657 -8.831 832 HG23 THR 106 2HG2 THR 106 -20.563 19.111 -10.509 833 H ILE 107 H ILE 107 -22.737 19.912 -6.816 834 HA ILE 107 HA ILE 107 -24.929 21.071 -8.181 835 HB ILE 107 HB ILE 107 -24.900 19.472 -5.575 836 HG12 ILE 107 2HG1 ILE 107 -25.258 18.357 -8.400 837 HG13 ILE 107 3HG1 ILE 107 -23.719 18.349 -7.546 838 HG21 ILE 107 1HG2 ILE 107 -27.153 19.888 -7.571 839 HG22 ILE 107 2HG2 ILE 107 -27.049 20.586 -5.950 840 HG23 ILE 107 3HG2 ILE 107 -27.219 18.839 -6.150 841 HD11 ILE 107 3HD1 ILE 107 -26.231 16.930 -6.671 842 HD12 ILE 107 1HD1 ILE 107 -24.695 16.941 -5.798 843 HD13 ILE 107 2HD1 ILE 107 -24.800 16.197 -7.395 844 H THR 108 H THR 108 -23.712 21.434 -4.834 845 HA THR 108 HA THR 108 -25.609 23.583 -4.283 846 HB THR 108 HB THR 108 -25.217 21.820 -2.570 847 HG1 THR 108 HG1 THR 108 -24.677 24.536 -1.930 848 HG21 THR 108 3HG2 THR 108 -22.483 23.079 -2.218 849 HG22 THR 108 1HG2 THR 108 -22.794 21.464 -2.857 850 HG23 THR 108 2HG2 THR 108 -23.198 21.843 -1.181 851 H GLN 109 H GLN 109 -22.273 23.240 -5.223 852 HA GLN 109 HA GLN 109 -21.492 25.938 -4.510 853 HB2 GLN 109 2HB GLN 109 -20.222 23.947 -6.438 854 HB3 GLN 109 3HB GLN 109 -19.555 25.539 -6.103 855 HG2 GLN 109 2HG GLN 109 -19.268 24.888 -3.730 856 HG3 GLN 109 3HG GLN 109 -19.863 23.272 -4.120 857 HE21 GLN 109 1HE2 GLN 109 -17.255 24.047 -3.059 858 HE22 GLN 109 2HE2 GLN 109 -16.082 23.449 -4.173 859 H ASN 110 H ASN 110 -23.198 27.183 -5.347 860 HA ASN 110 HA ASN 110 -23.832 27.157 -8.187 861 HB2 ASN 110 2HB ASN 110 -24.763 28.913 -5.881 862 HB3 ASN 110 3HB ASN 110 -25.294 29.154 -7.536 863 HD21 ASN 110 1HD2 ASN 110 -25.356 26.854 -4.837 864 HD22 ASN 110 2HD2 ASN 110 -26.763 26.003 -5.363 865 H LYS 111 H LYS 111 -23.974 29.504 -9.185 866 HA LYS 111 HA LYS 111 -21.220 30.342 -9.463 867 HB2 LYS 111 2HB LYS 111 -23.689 31.414 -10.876 868 HB3 LYS 111 3HB LYS 111 -22.014 31.666 -11.350 869 HG2 LYS 111 2HG LYS 111 -23.546 29.049 -11.401 870 HG3 LYS 111 3HG LYS 111 -23.032 29.998 -12.792 871 HD2 LYS 111 2HD LYS 111 -21.227 28.539 -10.836 872 HD3 LYS 111 3HD LYS 111 -21.583 28.053 -12.492 873 HE2 LYS 111 2HE LYS 111 -20.483 30.144 -13.309 874 HE3 LYS 111 3HE LYS 111 -20.063 30.549 -11.641 875 HZ1 LYS 111 3HZ LYS 111 -18.205 29.494 -12.720 876 HZ2 LYS 111 1HZ LYS 111 -19.142 28.152 -13.148 877 HZ3 LYS 111 2HZ LYS 111 -18.794 28.457 -11.525 878 H LYS 112 H LYS 112 -20.570 31.464 -7.765 879 HA LYS 112 HA LYS 112 -21.648 34.083 -7.158 880 HB2 LYS 112 2HB LYS 112 -21.945 33.530 -4.684 881 HB3 LYS 112 3HB LYS 112 -23.158 32.855 -5.755 882 HG2 LYS 112 2HG LYS 112 -22.101 30.659 -5.634 883 HG3 LYS 112 3HG LYS 112 -20.801 31.305 -4.631 884 HD2 LYS 112 2HD LYS 112 -23.732 31.356 -3.842 885 HD3 LYS 112 3HD LYS 112 -22.618 30.077 -3.364 886 HE2 LYS 112 2HE LYS 112 -22.285 33.012 -2.681 887 HE3 LYS 112 3HE LYS 112 -22.957 31.794 -1.602 888 HZ1 LYS 112 3HZ LYS 112 -20.633 32.191 -1.131 889 HZ2 LYS 112 1HZ LYS 112 -20.203 31.769 -2.711 890 HZ3 LYS 112 2HZ LYS 112 -20.866 30.613 -1.684 891 H ASP 113 H ASP 113 -19.445 31.482 -6.131 892 HA ASP 113 HA ASP 113 -17.215 33.404 -6.140 893 HB2 ASP 113 2HB ASP 113 -16.282 32.598 -4.072 894 HB3 ASP 113 3HB ASP 113 -17.958 32.997 -3.739 895 H GLY 114 H GLY 114 -15.114 32.097 -5.848 896 HA2 GLY 114 2HA GLY 114 -14.990 29.424 -6.900 897 HA3 GLY 114 3HA GLY 114 -14.479 30.647 -8.064 898 H LEU 115 H LEU 115 -14.101 29.981 -4.606 899 HA LEU 115 HA LEU 115 -11.632 31.220 -4.193 900 HB2 LEU 115 2HB LEU 115 -12.593 28.744 -2.722 901 HB3 LEU 115 3HB LEU 115 -11.457 29.941 -2.128 902 HG LEU 115 HG LEU 115 -14.444 30.333 -2.556 903 HD11 LEU 115 1HD1 LEU 115 -12.835 30.267 0.013 904 HD12 LEU 115 2HD1 LEU 115 -13.912 28.998 -0.573 905 HD13 LEU 115 3HD1 LEU 115 -14.569 30.569 -0.123 906 HD21 LEU 115 3HD2 LEU 115 -14.175 32.574 -1.576 907 HD22 LEU 115 1HD2 LEU 115 -13.319 32.419 -3.109 908 HD23 LEU 115 2HD2 LEU 115 -12.423 32.374 -1.590 909 H GLU 116 H GLU 116 -12.421 27.889 -5.026 910 HA GLU 116 HA GLU 116 -10.202 27.651 -6.800 911 HB2 GLU 116 2HB GLU 116 -9.034 27.152 -4.646 912 HB3 GLU 116 3HB GLU 116 -10.198 25.880 -4.307 913 HG2 GLU 116 2HG GLU 116 -9.403 24.636 -6.300 914 HG3 GLU 116 3HG GLU 116 -8.205 25.896 -6.603 915 H HIS 117 H HIS 117 -10.703 26.175 -8.354 916 HA HIS 117 HA HIS 117 -13.267 24.893 -8.418 917 HB2 HIS 117 2HB HIS 117 -10.889 24.730 -10.306 918 HB3 HIS 117 3HB HIS 117 -12.459 24.003 -10.625 919 HD1 HIS 117 HD1 HIS 117 -13.843 25.386 -12.123 920 HD2 HIS 117 HD2 HIS 117 -11.262 27.740 -9.894 921 HE1 HIS 117 HE1 HIS 117 -14.160 27.716 -12.977 922 HE2 HIS 117 HE2 HIS 117 -12.769 29.140 -11.449 923 H HIS 118 H HIS 118 -13.722 22.732 -8.292 924 HA HIS 118 HA HIS 118 -11.956 21.098 -6.665 925 HB2 HIS 118 2HB HIS 118 -14.393 21.465 -6.144 926 HB3 HIS 118 3HB HIS 118 -14.822 20.583 -7.602 927 HD1 HIS 118 HD1 HIS 118 -16.051 18.738 -6.362 928 HD2 HIS 118 HD2 HIS 118 -12.124 19.182 -5.103 929 HE1 HIS 118 HE1 HIS 118 -15.598 16.765 -4.888 930 HE2 HIS 118 HE2 HIS 118 -13.297 17.175 -3.971 931 H HIS 119 H HIS 119 -11.356 21.510 -9.592 932 HA HIS 119 HA HIS 119 -10.260 18.933 -10.076 933 HB2 HIS 119 2HB HIS 119 -11.362 18.456 -12.282 934 HB3 HIS 119 3HB HIS 119 -12.486 18.349 -10.935 935 HD1 HIS 119 HD1 HIS 119 -14.505 19.863 -10.990 936 HD2 HIS 119 HD2 HIS 119 -11.758 20.762 -13.968 937 HE1 HIS 119 HE1 HIS 119 -15.674 21.462 -12.521 938 HE2 HIS 119 HE2 HIS 119 -14.073 21.801 -14.429 939 H HIS 120 H HIS 120 -9.516 21.753 -9.838 940 HA HIS 120 HA HIS 120 -8.437 23.494 -10.732 941 HB2 HIS 120 2HB HIS 120 -7.569 21.587 -12.960 942 HB3 HIS 120 3HB HIS 120 -6.851 23.160 -12.618 943 HD1 HIS 120 HD1 HIS 120 -6.741 19.629 -11.656 944 HD2 HIS 120 HD2 HIS 120 -5.368 23.235 -10.124 945 HE1 HIS 120 HE1 HIS 120 -5.080 19.010 -9.886 946 HE2 HIS 120 HE2 HIS 120 -4.136 21.206 -9.101 947 H HIS 121 H HIS 121 -8.118 24.472 -13.291 948 HA HIS 121 HA HIS 121 -10.388 25.914 -13.692 949 HB2 HIS 121 2HB HIS 121 -9.440 26.581 -15.882 950 HB3 HIS 121 3HB HIS 121 -8.208 26.545 -14.630 951 HD1 HIS 121 HD1 HIS 121 -6.435 24.597 -14.793 952 HD2 HIS 121 HD2 HIS 121 -9.006 24.897 -18.045 953 HE1 HIS 121 HE1 HIS 121 -5.402 23.195 -16.602 954 HE2 HIS 121 HE2 HIS 121 -7.028 23.293 -18.515 955 H HIS 122 H HIS 122 -12.274 25.759 -14.815 956 HA HIS 122 HA HIS 122 -13.251 23.228 -15.669 957 HB2 HIS 122 2HB HIS 122 -14.818 24.834 -14.740 958 HB3 HIS 122 3HB HIS 122 -14.427 26.025 -15.972 959 HD1 HIS 122 HD1 HIS 122 -15.442 25.672 -18.327 960 HD2 HIS 122 HD2 HIS 122 -16.641 22.827 -15.555 961 HE1 HIS 122 HE1 HIS 122 -17.357 24.467 -19.401 962 HE2 HIS 122 HE2 HIS 122 -17.983 22.669 -17.763 Start of MODEL 10 1 H1 MET 1 1H MET 1 24.738 -25.160 2.371 2 H2 MET 1 2H MET 1 24.825 -26.347 3.575 3 H3 MET 1 3H MET 1 24.345 -24.776 3.966 4 HA MET 1 HA MET 1 22.883 -26.602 2.171 5 HB2 MET 1 2HB MET 1 22.871 -27.336 4.578 6 HB3 MET 1 3HB MET 1 22.175 -25.784 5.027 7 HG2 MET 1 2HG MET 1 20.486 -27.600 4.895 8 HG3 MET 1 3HG MET 1 20.152 -26.288 3.756 9 HE1 MET 1 3HE MET 1 18.925 -29.379 1.693 10 HE2 MET 1 1HE MET 1 18.518 -27.778 2.305 11 HE3 MET 1 2HE MET 1 18.738 -29.121 3.427 12 H ILE 2 H ILE 2 21.067 -25.753 1.224 13 HA ILE 2 HA ILE 2 20.422 -22.891 1.667 14 HB ILE 2 HB ILE 2 20.104 -24.586 -0.871 15 HG12 ILE 2 2HG1 ILE 2 22.460 -23.892 -0.451 16 HG13 ILE 2 3HG1 ILE 2 21.805 -23.145 -1.898 17 HG21 ILE 2 1HG2 ILE 2 19.368 -21.669 -0.437 18 HG22 ILE 2 2HG2 ILE 2 18.251 -23.007 -0.708 19 HG23 ILE 2 3HG2 ILE 2 19.353 -22.508 -1.989 20 HD11 ILE 2 3HD1 ILE 2 21.487 -21.046 -0.647 21 HD12 ILE 2 1HD1 ILE 2 23.167 -21.581 -0.665 22 HD13 ILE 2 2HD1 ILE 2 22.188 -21.812 0.781 23 H GLU 3 H GLU 3 18.340 -22.481 2.279 24 HA GLU 3 HA GLU 3 16.284 -24.617 2.022 25 HB2 GLU 3 2HB GLU 3 15.099 -23.674 3.913 26 HB3 GLU 3 3HB GLU 3 16.764 -23.961 4.405 27 HG2 GLU 3 2HG GLU 3 17.282 -21.661 4.420 28 HG3 GLU 3 3HG GLU 3 15.853 -21.225 3.486 29 HA PRO 4 HA PRO 4 14.112 -21.427 -0.445 30 HB2 PRO 4 2HB PRO 4 11.622 -23.020 -0.169 31 HB3 PRO 4 3HB PRO 4 12.582 -22.696 -1.627 32 HG2 PRO 4 2HG PRO 4 12.451 -25.163 -0.531 33 HG3 PRO 4 3HG PRO 4 13.914 -24.571 -1.356 34 HD2 PRO 4 2HD PRO 4 13.338 -24.673 1.616 35 HD3 PRO 4 3HD PRO 4 14.805 -25.167 0.730 36 H ILE 5 H ILE 5 13.522 -19.600 0.551 37 HA ILE 5 HA ILE 5 11.698 -19.625 2.907 38 HB ILE 5 HB ILE 5 12.587 -17.332 3.419 39 HG12 ILE 5 2HG1 ILE 5 14.472 -17.914 1.100 40 HG13 ILE 5 3HG1 ILE 5 13.302 -16.611 1.204 41 HG21 ILE 5 1HG2 ILE 5 14.749 -19.452 3.280 42 HG22 ILE 5 2HG2 ILE 5 13.550 -19.281 4.561 43 HG23 ILE 5 3HG2 ILE 5 14.768 -18.025 4.319 44 HD11 ILE 5 3HD1 ILE 5 14.646 -15.601 3.013 45 HD12 ILE 5 1HD1 ILE 5 15.522 -15.760 1.491 46 HD13 ILE 5 2HD1 ILE 5 15.837 -16.886 2.809 47 H LYS 6 H LYS 6 10.619 -17.255 2.985 48 HA LYS 6 HA LYS 6 9.912 -16.150 0.397 49 HB2 LYS 6 2HB LYS 6 7.509 -16.304 0.638 50 HB3 LYS 6 3HB LYS 6 8.160 -17.929 0.747 51 HG2 LYS 6 2HG LYS 6 7.455 -16.309 3.200 52 HG3 LYS 6 3HG LYS 6 6.265 -17.283 2.353 53 HD2 LYS 6 2HD LYS 6 8.843 -18.410 3.516 54 HD3 LYS 6 3HD LYS 6 7.302 -18.393 4.370 55 HE2 LYS 6 2HE LYS 6 6.326 -19.713 2.433 56 HE3 LYS 6 3HE LYS 6 7.971 -19.878 1.820 57 HZ1 LYS 6 3HZ LYS 6 8.601 -21.144 3.681 58 HZ2 LYS 6 1HZ LYS 6 7.109 -21.781 3.216 59 HZ3 LYS 6 2HZ LYS 6 7.214 -20.753 4.555 60 H ARG 7 H ARG 7 9.320 -13.987 0.546 61 HA ARG 7 HA ARG 7 9.365 -12.764 3.244 62 HB2 ARG 7 2HB ARG 7 10.976 -11.868 1.498 63 HB3 ARG 7 3HB ARG 7 9.594 -11.350 0.541 64 HG2 ARG 7 2HG ARG 7 10.458 -9.444 1.754 65 HG3 ARG 7 3HG ARG 7 8.888 -9.876 2.437 66 HD2 ARG 7 2HD ARG 7 10.109 -11.133 4.249 67 HD3 ARG 7 3HD ARG 7 11.621 -10.486 3.608 68 HE ARG 7 HE ARG 7 9.806 -8.387 4.132 69 HH11 ARG 7 1HH1 ARG 7 11.903 -10.645 5.866 70 HH12 ARG 7 2HH1 ARG 7 12.085 -9.589 7.229 71 HH21 ARG 7 1HH2 ARG 7 10.008 -7.070 5.942 72 HH22 ARG 7 2HH2 ARG 7 11.006 -7.561 7.270 73 H THR 8 H THR 8 7.593 -11.592 3.964 74 HA THR 8 HA THR 8 5.157 -11.639 2.299 75 HB THR 8 HB THR 8 5.376 -12.193 5.308 76 HG1 THR 8 HG1 THR 8 5.939 -14.017 4.097 77 HG21 THR 8 3HG2 THR 8 3.295 -10.961 4.760 78 HG22 THR 8 1HG2 THR 8 2.942 -12.623 5.216 79 HG23 THR 8 2HG2 THR 8 2.914 -12.152 3.514 80 H GLN 9 H GLN 9 5.007 -9.578 1.742 81 HA GLN 9 HA GLN 9 5.313 -7.417 3.747 82 HB2 GLN 9 2HB GLN 9 6.957 -7.318 1.911 83 HB3 GLN 9 3HB GLN 9 5.665 -7.348 0.720 84 HG2 GLN 9 2HG GLN 9 6.537 -5.108 0.929 85 HG3 GLN 9 3HG GLN 9 4.883 -5.142 1.540 86 HE21 GLN 9 1HE2 GLN 9 7.535 -3.607 2.069 87 HE22 GLN 9 2HE2 GLN 9 7.568 -3.490 3.785 88 H VAL 10 H VAL 10 3.296 -7.005 4.446 89 HA VAL 10 HA VAL 10 1.078 -6.897 2.543 90 HB VAL 10 HB VAL 10 -0.403 -6.658 4.440 91 HG11 VAL 10 1HG1 VAL 10 0.067 -8.758 5.670 92 HG12 VAL 10 2HG1 VAL 10 1.718 -8.754 5.042 93 HG13 VAL 10 3HG1 VAL 10 0.353 -8.928 3.939 94 HG21 VAL 10 3HG2 VAL 10 0.359 -6.567 6.796 95 HG22 VAL 10 1HG2 VAL 10 0.867 -5.142 5.889 96 HG23 VAL 10 2HG2 VAL 10 2.031 -6.415 6.251 97 H VAL 11 H VAL 11 0.729 -5.026 1.455 98 HA VAL 11 HA VAL 11 1.850 -2.509 2.513 99 HB VAL 11 HB VAL 11 0.501 -3.079 -0.174 100 HG11 VAL 11 1HG1 VAL 11 1.289 -0.832 -0.856 101 HG12 VAL 11 2HG1 VAL 11 1.889 -0.539 0.778 102 HG13 VAL 11 3HG1 VAL 11 0.160 -0.731 0.494 103 HG21 VAL 11 3HG2 VAL 11 3.432 -2.626 0.504 104 HG22 VAL 11 1HG2 VAL 11 2.768 -2.872 -1.115 105 HG23 VAL 11 2HG2 VAL 11 2.698 -4.171 0.073 106 H THR 12 H THR 12 0.612 -1.221 3.674 107 HA THR 12 HA THR 12 -2.238 -1.915 3.975 108 HB THR 12 HB THR 12 -0.274 -0.680 5.959 109 HG1 THR 12 HG1 THR 12 -0.965 -3.286 5.313 110 HG21 THR 12 3HG2 THR 12 -3.133 -1.614 6.385 111 HG22 THR 12 1HG2 THR 12 -2.578 0.051 6.440 112 HG23 THR 12 2HG2 THR 12 -2.022 -1.102 7.658 113 H GLN 13 H GLN 13 -3.248 -0.530 2.598 114 HA GLN 13 HA GLN 13 -2.870 2.345 2.597 115 HB2 GLN 13 2HB GLN 13 -4.991 0.496 1.431 116 HB3 GLN 13 3HB GLN 13 -5.157 2.239 1.346 117 HG2 GLN 13 2HG GLN 13 -2.655 1.001 0.243 118 HG3 GLN 13 3HG GLN 13 -4.153 0.818 -0.662 119 HE21 GLN 13 1HE2 GLN 13 -3.276 3.693 1.224 120 HE22 GLN 13 2HE2 GLN 13 -3.112 4.729 -0.133 121 H THR 14 H THR 14 -3.094 2.901 4.807 122 HA THR 14 HA THR 14 -5.717 2.601 6.076 123 HB THR 14 HB THR 14 -4.775 4.013 7.895 124 HG1 THR 14 HG1 THR 14 -2.290 4.006 6.512 125 HG21 THR 14 3HG2 THR 14 -4.365 1.588 8.026 126 HG22 THR 14 1HG2 THR 14 -3.021 2.493 8.720 127 HG23 THR 14 2HG2 THR 14 -2.867 1.780 7.114 128 H ILE 15 H ILE 15 -7.336 3.892 5.372 129 HA ILE 15 HA ILE 15 -6.621 6.449 4.083 130 HB ILE 15 HB ILE 15 -8.931 4.587 3.402 131 HG12 ILE 15 2HG1 ILE 15 -6.495 5.599 1.865 132 HG13 ILE 15 3HG1 ILE 15 -6.729 3.965 2.464 133 HG21 ILE 15 1HG2 ILE 15 -8.371 7.382 2.313 134 HG22 ILE 15 2HG2 ILE 15 -9.747 6.924 3.319 135 HG23 ILE 15 3HG2 ILE 15 -9.591 6.265 1.692 136 HD11 ILE 15 3HD1 ILE 15 -8.579 3.682 0.878 137 HD12 ILE 15 1HD1 ILE 15 -7.040 4.062 0.102 138 HD13 ILE 15 2HD1 ILE 15 -8.269 5.313 0.267 139 H HIS 16 H HIS 16 -7.330 8.220 4.777 140 HA HIS 16 HA HIS 16 -8.956 8.330 7.223 141 HB2 HIS 16 2HB HIS 16 -7.025 10.429 6.125 142 HB3 HIS 16 3HB HIS 16 -7.667 10.316 7.760 143 HD1 HIS 16 HD1 HIS 16 -5.736 7.754 5.643 144 HD2 HIS 16 HD2 HIS 16 -5.477 9.671 9.304 145 HE1 HIS 16 HE1 HIS 16 -3.826 6.697 6.835 146 HE2 HIS 16 HE2 HIS 16 -3.766 7.786 9.079 147 H TYR 17 H TYR 17 -11.047 8.809 6.595 148 HA TYR 17 HA TYR 17 -11.558 10.601 4.360 149 HB2 TYR 17 2HB TYR 17 -13.474 9.396 6.402 150 HB3 TYR 17 3HB TYR 17 -13.950 10.295 4.964 151 HD1 TYR 17 HD2 TYR 17 -12.021 9.128 2.969 152 HD2 TYR 17 HD1 TYR 17 -14.400 7.212 5.945 153 HE1 TYR 17 HE2 TYR 17 -12.033 7.084 1.621 154 HE2 TYR 17 HE1 TYR 17 -14.419 5.160 4.588 155 HH TYR 17 HH TYR 17 -14.163 4.543 2.171 156 H ARG 18 H ARG 18 -11.121 12.691 4.653 157 HA ARG 18 HA ARG 18 -12.180 14.101 7.001 158 HB2 ARG 18 2HB ARG 18 -9.282 14.403 6.075 159 HB3 ARG 18 3HB ARG 18 -10.092 15.479 7.204 160 HG2 ARG 18 2HG ARG 18 -10.466 13.352 8.646 161 HG3 ARG 18 3HG ARG 18 -9.229 12.625 7.622 162 HD2 ARG 18 2HD ARG 18 -8.919 15.107 9.328 163 HD3 ARG 18 3HD ARG 18 -8.245 13.514 9.675 164 HE ARG 18 HE ARG 18 -7.017 13.906 7.424 165 HH11 ARG 18 1HH1 ARG 18 -7.650 16.409 9.843 166 HH12 ARG 18 2HH1 ARG 18 -6.262 17.355 9.400 167 HH21 ARG 18 1HH2 ARG 18 -5.179 15.149 6.874 168 HH22 ARG 18 2HH2 ARG 18 -4.848 16.632 7.712 169 H TYR 19 H TYR 19 -12.185 16.474 6.638 170 HA TYR 19 HA TYR 19 -12.898 17.115 3.865 171 HB2 TYR 19 2HB TYR 19 -13.244 18.690 6.461 172 HB3 TYR 19 3HB TYR 19 -13.835 19.205 4.882 173 HD1 TYR 19 HD2 TYR 19 -14.312 16.785 7.634 174 HD2 TYR 19 HD1 TYR 19 -15.863 18.216 3.924 175 HE1 TYR 19 HE2 TYR 19 -16.408 15.582 8.056 176 HE2 TYR 19 HE1 TYR 19 -17.964 17.019 4.345 177 HH TYR 19 HH TYR 19 -18.780 15.712 7.367 178 H GLU 20 H GLU 20 -12.293 19.457 3.202 179 HA GLU 20 HA GLU 20 -9.483 19.902 3.195 180 HB2 GLU 20 2HB GLU 20 -9.989 22.059 2.130 181 HB3 GLU 20 3HB GLU 20 -10.982 20.782 1.429 182 HG2 GLU 20 2HG GLU 20 -12.932 21.516 2.624 183 HG3 GLU 20 3HG GLU 20 -11.990 22.647 3.595 184 H ASP 21 H ASP 21 -12.005 20.793 5.352 185 HA ASP 21 HA ASP 21 -10.831 22.932 6.804 186 HB2 ASP 21 2HB ASP 21 -12.956 20.913 7.672 187 HB3 ASP 21 3HB ASP 21 -12.656 22.479 8.416 188 H GLY 22 H GLY 22 -10.156 19.563 6.754 189 HA2 GLY 22 2HA GLY 22 -8.507 18.404 7.962 190 HA3 GLY 22 3HA GLY 22 -8.515 19.666 9.188 191 H ALA 23 H ALA 23 -11.624 19.348 8.915 192 HA ALA 23 HA ALA 23 -12.156 17.891 11.226 193 HB1 ALA 23 3HB ALA 23 -14.027 18.550 8.917 194 HB2 ALA 23 1HB ALA 23 -13.687 19.586 10.308 195 HB3 ALA 23 2HB ALA 23 -14.534 18.054 10.537 196 H VAL 24 H VAL 24 -12.772 15.758 11.602 197 HA VAL 24 HA VAL 24 -11.938 13.820 9.596 198 HB VAL 24 HB VAL 24 -12.969 13.292 12.425 199 HG11 VAL 24 1HG1 VAL 24 -11.778 11.137 12.226 200 HG12 VAL 24 2HG1 VAL 24 -11.325 11.531 10.567 201 HG13 VAL 24 3HG1 VAL 24 -13.022 11.302 10.987 202 HG21 VAL 24 3HG2 VAL 24 -11.028 14.787 12.526 203 HG22 VAL 24 1HG2 VAL 24 -10.092 13.678 11.519 204 HG23 VAL 24 2HG2 VAL 24 -10.608 13.185 13.135 205 H ALA 25 H ALA 25 -13.427 13.213 8.091 206 HA ALA 25 HA ALA 25 -16.254 13.080 8.573 207 HB1 ALA 25 3HB ALA 25 -14.624 11.861 6.323 208 HB2 ALA 25 1HB ALA 25 -15.353 13.465 6.317 209 HB3 ALA 25 2HB ALA 25 -16.381 12.031 6.354 210 H HIS 26 H HIS 26 -13.746 10.540 8.062 211 HA HIS 26 HA HIS 26 -14.564 8.922 10.239 212 HB2 HIS 26 2HB HIS 26 -16.461 8.530 8.519 213 HB3 HIS 26 3HB HIS 26 -15.269 7.695 7.531 214 HD1 HIS 26 HD1 HIS 26 -16.499 5.454 7.719 215 HD2 HIS 26 HD2 HIS 26 -15.403 7.014 11.400 216 HE1 HIS 26 HE1 HIS 26 -16.982 3.641 9.382 217 HE2 HIS 26 HE2 HIS 26 -16.082 4.537 11.551 218 H ASP 27 H ASP 27 -12.359 8.823 10.724 219 HA ASP 27 HA ASP 27 -10.470 7.763 8.729 220 HB2 ASP 27 2HB ASP 27 -9.612 9.682 9.882 221 HB3 ASP 27 3HB ASP 27 -10.092 9.055 11.452 222 H ASP 28 H ASP 28 -10.515 5.602 8.585 223 HA ASP 28 HA ASP 28 -9.657 3.824 10.589 224 HB2 ASP 28 2HB ASP 28 -11.681 2.593 11.173 225 HB3 ASP 28 3HB ASP 28 -11.946 4.291 11.549 226 H HIS 29 H HIS 29 -10.340 4.487 7.368 227 HA HIS 29 HA HIS 29 -11.391 1.892 6.604 228 HB2 HIS 29 2HB HIS 29 -12.121 4.203 5.649 229 HB3 HIS 29 3HB HIS 29 -10.667 4.113 4.660 230 HD1 HIS 29 HD1 HIS 29 -14.139 3.038 4.750 231 HD2 HIS 29 HD2 HIS 29 -10.663 1.729 2.905 232 HE1 HIS 29 HE1 HIS 29 -14.888 1.482 2.947 233 HE2 HIS 29 HE2 HIS 29 -12.766 0.538 1.999 234 H VAL 30 H VAL 30 -9.694 0.492 7.000 235 HA VAL 30 HA VAL 30 -7.127 0.875 5.574 236 HB VAL 30 HB VAL 30 -7.804 -0.985 7.907 237 HG11 VAL 30 1HG1 VAL 30 -5.969 -1.848 6.533 238 HG12 VAL 30 2HG1 VAL 30 -5.372 -1.312 8.101 239 HG13 VAL 30 3HG1 VAL 30 -5.110 -0.310 6.671 240 HG21 VAL 30 3HG2 VAL 30 -7.920 1.371 8.603 241 HG22 VAL 30 1HG2 VAL 30 -6.302 1.661 7.959 242 HG23 VAL 30 2HG2 VAL 30 -6.528 0.572 9.330 243 H VAL 31 H VAL 31 -6.908 -0.281 3.727 244 HA VAL 31 HA VAL 31 -7.699 -3.141 3.759 245 HB VAL 31 HB VAL 31 -8.844 -1.935 1.921 246 HG11 VAL 31 1HG1 VAL 31 -7.623 -0.948 0.034 247 HG12 VAL 31 2HG1 VAL 31 -6.092 -1.232 0.864 248 HG13 VAL 31 3HG1 VAL 31 -7.266 -0.106 1.544 249 HG21 VAL 31 3HG2 VAL 31 -8.170 -3.405 0.042 250 HG22 VAL 31 1HG2 VAL 31 -8.265 -4.290 1.566 251 HG23 VAL 31 2HG2 VAL 31 -6.693 -3.834 0.907 252 H SER 32 H SER 32 -6.094 -4.616 3.146 253 HA SER 32 HA SER 32 -3.336 -3.656 2.779 254 HB2 SER 32 2HB SER 32 -2.572 -5.309 4.533 255 HB3 SER 32 3HB SER 32 -3.526 -3.983 5.189 256 HG SER 32 HG SER 32 -5.233 -5.915 4.572 257 H LEU 33 H LEU 33 -2.265 -4.858 1.288 258 HA LEU 33 HA LEU 33 -3.457 -7.421 0.363 259 HB2 LEU 33 2HB LEU 33 -1.792 -5.358 -1.111 260 HB3 LEU 33 3HB LEU 33 -2.158 -6.944 -1.767 261 HG LEU 33 HG LEU 33 -4.223 -4.813 -1.098 262 HD11 LEU 33 1HD1 LEU 33 -2.787 -4.238 -3.004 263 HD12 LEU 33 2HD1 LEU 33 -4.453 -4.539 -3.497 264 HD13 LEU 33 3HD1 LEU 33 -3.214 -5.762 -3.790 265 HD21 LEU 33 3HD2 LEU 33 -5.835 -6.262 -2.265 266 HD22 LEU 33 1HD2 LEU 33 -5.168 -7.065 -0.842 267 HD23 LEU 33 2HD2 LEU 33 -4.600 -7.508 -2.455 268 H ILE 34 H ILE 34 -2.173 -9.205 0.239 269 HA ILE 34 HA ILE 34 0.300 -9.073 1.820 270 HB ILE 34 HB ILE 34 -1.390 -11.512 1.047 271 HG12 ILE 34 2HG1 ILE 34 -1.920 -11.523 3.609 272 HG13 ILE 34 3HG1 ILE 34 -1.383 -9.850 3.616 273 HG21 ILE 34 1HG2 ILE 34 0.968 -12.089 1.420 274 HG22 ILE 34 2HG2 ILE 34 -0.037 -12.733 2.715 275 HG23 ILE 34 3HG2 ILE 34 0.939 -11.291 2.996 276 HD11 ILE 34 3HD1 ILE 34 -3.808 -10.021 3.517 277 HD12 ILE 34 1HD1 ILE 34 -3.703 -10.968 2.033 278 HD13 ILE 34 2HD1 ILE 34 -3.188 -9.280 2.043 279 H PHE 35 H PHE 35 2.119 -8.931 0.611 280 HA PHE 35 HA PHE 35 2.336 -10.296 -1.997 281 HB2 PHE 35 2HB PHE 35 4.167 -8.220 -0.668 282 HB3 PHE 35 3HB PHE 35 4.448 -8.946 -2.246 283 HD1 PHE 35 HD1 PHE 35 1.761 -6.994 -0.433 284 HD2 PHE 35 HD2 PHE 35 3.819 -7.691 -4.117 285 HE1 PHE 35 HE1 PHE 35 0.559 -5.109 -1.469 286 HE2 PHE 35 HE2 PHE 35 2.612 -5.810 -5.138 287 HZ PHE 35 HZ PHE 35 0.985 -4.512 -3.821 288 H THR 36 H THR 36 2.700 -12.410 -1.373 289 HA THR 36 HA THR 36 5.070 -13.013 0.287 290 HB THR 36 HB THR 36 2.623 -14.770 -0.224 291 HG1 THR 36 HG1 THR 36 3.479 -13.656 2.255 292 HG21 THR 36 3HG2 THR 36 4.637 -16.158 0.049 293 HG22 THR 36 1HG2 THR 36 3.597 -16.299 1.461 294 HG23 THR 36 2HG2 THR 36 5.051 -15.302 1.537 295 H GLN 37 H GLN 37 6.694 -13.216 -1.115 296 HA GLN 37 HA GLN 37 6.429 -15.121 -3.367 297 HB2 GLN 37 2HB GLN 37 6.465 -12.532 -3.915 298 HB3 GLN 37 3HB GLN 37 8.184 -12.657 -3.598 299 HG2 GLN 37 2HG GLN 37 6.719 -14.313 -5.667 300 HG3 GLN 37 3HG GLN 37 7.519 -12.786 -6.013 301 HE21 GLN 37 1HE2 GLN 37 9.852 -13.320 -4.315 302 HE22 GLN 37 2HE2 GLN 37 10.761 -14.543 -5.117 303 H SER 38 H SER 38 8.242 -16.407 -3.746 304 HA SER 38 HA SER 38 9.719 -16.871 -1.278 305 HB2 SER 38 2HB SER 38 10.123 -19.130 -2.284 306 HB3 SER 38 3HB SER 38 8.420 -18.712 -2.122 307 HG SER 38 HG SER 38 8.226 -18.956 -4.187 308 H GLY 39 H GLY 39 11.875 -16.872 -1.049 309 HA2 GLY 39 2HA GLY 39 13.651 -16.850 -3.433 310 HA3 GLY 39 3HA GLY 39 13.994 -15.885 -1.994 311 H LYS 40 H LYS 40 15.921 -16.947 -1.386 312 HA LYS 40 HA LYS 40 15.512 -19.472 -0.009 313 HB2 LYS 40 2HB LYS 40 17.430 -20.629 -1.142 314 HB3 LYS 40 3HB LYS 40 16.034 -20.370 -2.169 315 HG2 LYS 40 2HG LYS 40 17.681 -19.804 -3.646 316 HG3 LYS 40 3HG LYS 40 17.393 -18.218 -2.938 317 HD2 LYS 40 2HD LYS 40 19.349 -18.515 -1.466 318 HD3 LYS 40 3HD LYS 40 19.617 -20.134 -2.122 319 HE2 LYS 40 2HE LYS 40 19.826 -17.494 -3.600 320 HE3 LYS 40 3HE LYS 40 21.139 -18.601 -3.212 321 HZ1 LYS 40 3HZ LYS 40 18.900 -19.124 -5.092 322 HZ2 LYS 40 1HZ LYS 40 20.117 -20.236 -4.710 323 HZ3 LYS 40 2HZ LYS 40 20.500 -18.799 -5.518 324 H ARG 41 H ARG 41 16.881 -19.780 1.713 325 HA ARG 41 HA ARG 41 18.708 -17.538 2.335 326 HB2 ARG 41 2HB ARG 41 16.857 -17.885 3.945 327 HB3 ARG 41 3HB ARG 41 17.380 -19.540 4.221 328 HG2 ARG 41 2HG ARG 41 19.529 -18.676 5.134 329 HG3 ARG 41 3HG ARG 41 18.935 -17.031 4.922 330 HD2 ARG 41 2HD ARG 41 17.675 -19.136 6.705 331 HD3 ARG 41 3HD ARG 41 18.710 -17.821 7.251 332 HE ARG 41 HE ARG 41 16.218 -17.186 5.826 333 HH11 ARG 41 2HH1 ARG 41 17.972 -17.185 8.891 334 HH12 ARG 41 1HH1 ARG 41 16.855 -16.101 9.657 335 HH21 ARG 41 2HH2 ARG 41 14.769 -15.774 6.859 336 HH22 ARG 41 1HH2 ARG 41 15.037 -15.304 8.511 337 H ASP 42 H ASP 42 20.807 -17.930 2.260 338 HA ASP 42 HA ASP 42 22.068 -20.500 2.158 339 HB2 ASP 42 2HB ASP 42 23.024 -18.429 1.141 340 HB3 ASP 42 3HB ASP 42 23.205 -17.727 2.730 341 H LEU 43 H LEU 43 22.150 -21.780 3.903 342 HA LEU 43 HA LEU 43 21.717 -20.751 6.584 343 HB2 LEU 43 2HB LEU 43 21.944 -23.582 5.488 344 HB3 LEU 43 3HB LEU 43 21.612 -23.205 7.175 345 HG LEU 43 HG LEU 43 19.834 -22.453 4.823 346 HD11 LEU 43 1HD1 LEU 43 19.776 -24.852 5.300 347 HD12 LEU 43 2HD1 LEU 43 18.255 -24.090 5.749 348 HD13 LEU 43 3HD1 LEU 43 19.421 -24.530 7.000 349 HD21 LEU 43 3HD2 LEU 43 18.222 -21.717 6.560 350 HD22 LEU 43 1HD2 LEU 43 19.693 -20.748 6.541 351 HD23 LEU 43 2HD2 LEU 43 19.456 -21.966 7.796 352 H THR 44 H THR 44 24.540 -21.353 4.776 353 HA THR 44 HA THR 44 26.087 -22.375 7.041 354 HB THR 44 HB THR 44 26.769 -23.328 4.943 355 HG1 THR 44 HG1 THR 44 28.806 -21.449 5.626 356 HG21 THR 44 3HG2 THR 44 27.747 -22.022 3.086 357 HG22 THR 44 1HG2 THR 44 27.318 -20.522 3.932 358 HG23 THR 44 2HG2 THR 44 26.057 -21.609 3.361 359 H ASN 45 H ASN 45 25.606 -19.318 5.322 360 HA ASN 45 HA ASN 45 27.321 -17.902 7.271 361 HB2 ASN 45 2HB ASN 45 27.615 -17.340 4.868 362 HB3 ASN 45 3HB ASN 45 25.921 -16.868 4.755 363 HD21 ASN 45 1HD2 ASN 45 25.270 -14.897 5.763 364 HD22 ASN 45 2HD2 ASN 45 26.411 -13.681 6.205 365 H GLY 46 H GLY 46 23.956 -18.344 6.251 366 HA2 GLY 46 2HA GLY 46 22.046 -18.051 7.581 367 HA3 GLY 46 3HA GLY 46 22.995 -17.164 8.765 368 H LYS 47 H LYS 47 22.350 -16.793 5.306 369 HA LYS 47 HA LYS 47 21.482 -13.984 5.672 370 HB2 LYS 47 2HB LYS 47 22.784 -13.462 3.556 371 HB3 LYS 47 3HB LYS 47 23.789 -13.841 4.952 372 HG2 LYS 47 2HG LYS 47 24.241 -16.055 4.123 373 HG3 LYS 47 3HG LYS 47 23.084 -15.864 2.806 374 HD2 LYS 47 2HD LYS 47 25.645 -14.249 3.124 375 HD3 LYS 47 3HD LYS 47 25.456 -15.649 2.068 376 HE2 LYS 47 2HE LYS 47 23.616 -14.403 0.872 377 HE3 LYS 47 3HE LYS 47 24.025 -12.989 1.843 378 HZ1 LYS 47 3HZ LYS 47 25.107 -12.901 -0.309 379 HZ2 LYS 47 1HZ LYS 47 25.845 -14.392 -0.033 380 HZ3 LYS 47 2HZ LYS 47 26.269 -13.056 0.913 381 H GLU 48 H GLU 48 19.868 -13.329 4.242 382 HA GLU 48 HA GLU 48 18.515 -15.447 2.707 383 HB2 GLU 48 2HB GLU 48 17.610 -12.656 3.526 384 HB3 GLU 48 3HB GLU 48 16.626 -13.803 2.617 385 HG2 GLU 48 2HG GLU 48 16.816 -15.403 4.545 386 HG3 GLU 48 3HG GLU 48 17.656 -14.147 5.435 387 H ILE 49 H ILE 49 18.560 -15.513 0.587 388 HA ILE 49 HA ILE 49 19.736 -13.299 -0.987 389 HB ILE 49 HB ILE 49 19.516 -16.254 -1.781 390 HG12 ILE 49 2HG1 ILE 49 22.094 -16.092 -1.816 391 HG13 ILE 49 3HG1 ILE 49 21.924 -14.585 -0.927 392 HG21 ILE 49 1HG2 ILE 49 20.720 -13.905 -3.301 393 HG22 ILE 49 2HG2 ILE 49 19.266 -14.803 -3.739 394 HG23 ILE 49 3HG2 ILE 49 20.838 -15.598 -3.792 395 HD11 ILE 49 3HD1 ILE 49 21.033 -17.308 0.007 396 HD12 ILE 49 1HD1 ILE 49 20.851 -15.801 0.907 397 HD13 ILE 49 2HD1 ILE 49 22.460 -16.422 0.545 398 H TRP 50 H TRP 50 18.423 -12.239 -2.280 399 HA TRP 50 HA TRP 50 15.812 -13.367 -3.123 400 HB2 TRP 50 2HB TRP 50 16.460 -10.484 -2.353 401 HB3 TRP 50 3HB TRP 50 14.888 -11.090 -2.856 402 HD1 TRP 50 HD1 TRP 50 16.941 -10.496 0.208 403 HE1 TRP 50 HE1 TRP 50 15.766 -11.458 2.273 404 HE3 TRP 50 HE3 TRP 50 13.328 -13.279 -2.117 405 HZ2 TRP 50 HZ2 TRP 50 13.616 -13.145 2.860 406 HZ3 TRP 50 HZ3 TRP 50 11.748 -14.543 -0.718 407 HH2 TRP 50 HH2 TRP 50 11.896 -14.472 1.719 408 H ASP 51 H ASP 51 15.236 -12.877 -5.282 409 HA ASP 51 HA ASP 51 17.365 -12.627 -7.132 410 HB2 ASP 51 2HB ASP 51 15.229 -13.851 -7.588 411 HB3 ASP 51 3HB ASP 51 14.374 -12.317 -7.658 412 H SER 52 H SER 52 17.951 -10.907 -8.532 413 HA SER 52 HA SER 52 17.821 -8.343 -7.293 414 HB2 SER 52 2HB SER 52 19.217 -7.591 -9.228 415 HB3 SER 52 3HB SER 52 19.844 -9.044 -8.447 416 HG SER 52 HG SER 52 18.960 -8.691 -11.001 417 H LYS 53 H LYS 53 16.241 -9.738 -10.163 418 HA LYS 53 HA LYS 53 14.823 -7.250 -10.747 419 HB2 LYS 53 2HB LYS 53 14.652 -10.013 -12.016 420 HB3 LYS 53 3HB LYS 53 13.730 -8.615 -12.558 421 HG2 LYS 53 2HG LYS 53 15.954 -7.439 -12.986 422 HG3 LYS 53 3HG LYS 53 16.734 -8.991 -12.664 423 HD2 LYS 53 2HD LYS 53 16.463 -8.687 -15.078 424 HD3 LYS 53 3HD LYS 53 15.450 -10.023 -14.529 425 HE2 LYS 53 2HE LYS 53 13.495 -8.453 -14.488 426 HE3 LYS 53 3HE LYS 53 14.531 -7.197 -15.163 427 HZ1 LYS 53 3HZ LYS 53 13.819 -9.775 -16.473 428 HZ2 LYS 53 1HZ LYS 53 14.886 -8.625 -17.115 429 HZ3 LYS 53 2HZ LYS 53 13.257 -8.241 -16.903 430 H TRP 54 H TRP 54 14.392 -9.606 -8.435 431 HA TRP 54 HA TRP 54 11.791 -10.500 -8.434 432 HB2 TRP 54 2HB TRP 54 13.303 -11.228 -6.707 433 HB3 TRP 54 3HB TRP 54 13.528 -9.595 -6.116 434 HD1 TRP 54 HD1 TRP 54 10.083 -11.335 -6.633 435 HE1 TRP 54 HE1 TRP 54 8.921 -11.458 -4.353 436 HE3 TRP 54 HE3 TRP 54 13.800 -9.441 -3.701 437 HZ2 TRP 54 HZ2 TRP 54 9.498 -10.887 -1.669 438 HZ3 TRP 54 HZ3 TRP 54 13.427 -9.264 -1.279 439 HH2 TRP 54 HH2 TRP 54 11.315 -9.970 -0.283 440 H SER 55 H SER 55 9.929 -9.477 -8.621 441 HA SER 55 HA SER 55 9.219 -7.281 -6.886 442 HB2 SER 55 2HB SER 55 8.257 -5.992 -8.912 443 HB3 SER 55 3HB SER 55 10.009 -5.948 -8.723 444 HG SER 55 HG SER 55 9.981 -7.822 -10.235 445 H LEU 56 H LEU 56 7.166 -7.646 -6.188 446 HA LEU 56 HA LEU 56 5.477 -9.514 -7.766 447 HB2 LEU 56 2HB LEU 56 6.271 -10.352 -5.478 448 HB3 LEU 56 3HB LEU 56 5.311 -9.071 -4.754 449 HG LEU 56 HG LEU 56 3.246 -10.059 -5.744 450 HD11 LEU 56 1HD1 LEU 56 4.175 -11.138 -7.720 451 HD12 LEU 56 2HD1 LEU 56 3.290 -12.305 -6.745 452 HD13 LEU 56 3HD1 LEU 56 5.056 -12.291 -6.712 453 HD21 LEU 56 3HD2 LEU 56 4.850 -12.042 -4.099 454 HD22 LEU 56 1HD2 LEU 56 3.091 -12.001 -4.264 455 HD23 LEU 56 2HD2 LEU 56 3.932 -10.678 -3.463 456 H THR 57 H THR 57 3.391 -8.888 -8.173 457 HA THR 57 HA THR 57 2.672 -6.082 -7.526 458 HB THR 57 HB THR 57 1.675 -7.751 -9.903 459 HG1 THR 57 HG1 THR 57 3.996 -7.339 -9.955 460 HG21 THR 57 3HG2 THR 57 1.028 -5.594 -10.865 461 HG22 THR 57 1HG2 THR 57 1.667 -4.736 -9.449 462 HG23 THR 57 2HG2 THR 57 0.262 -5.787 -9.294 463 H GLN 58 H GLN 58 0.517 -5.644 -6.900 464 HA GLN 58 HA GLN 58 -1.483 -7.732 -6.824 465 HB2 GLN 58 2HB GLN 58 -0.027 -7.734 -4.582 466 HB3 GLN 58 3HB GLN 58 -1.007 -6.333 -4.171 467 HG2 GLN 58 2HG GLN 58 -2.031 -8.253 -3.184 468 HG3 GLN 58 3HG GLN 58 -3.054 -7.759 -4.531 469 HE21 GLN 58 1HE2 GLN 58 -0.004 -9.582 -4.730 470 HE22 GLN 58 2HE2 GLN 58 -0.713 -11.028 -5.347 471 H THR 59 H THR 59 -3.419 -6.842 -7.275 472 HA THR 59 HA THR 59 -3.532 -4.043 -7.939 473 HB THR 59 HB THR 59 -5.735 -6.142 -8.099 474 HG1 THR 59 HG1 THR 59 -4.644 -5.598 -10.485 475 HG21 THR 59 3HG2 THR 59 -6.713 -4.693 -9.834 476 HG22 THR 59 1HG2 THR 59 -5.407 -3.520 -9.618 477 HG23 THR 59 2HG2 THR 59 -6.569 -3.803 -8.321 478 H PHE 60 H PHE 60 -3.790 -2.645 -6.225 479 HA PHE 60 HA PHE 60 -5.792 -3.017 -4.174 480 HB2 PHE 60 2HB PHE 60 -4.032 -0.692 -4.998 481 HB3 PHE 60 3HB PHE 60 -5.463 -0.345 -4.038 482 HD1 PHE 60 HD2 PHE 60 -5.752 -1.670 -1.809 483 HD2 PHE 60 HD1 PHE 60 -2.040 -1.320 -3.878 484 HE1 PHE 60 HE2 PHE 60 -4.529 -2.233 0.255 485 HE2 PHE 60 HE1 PHE 60 -0.824 -1.879 -1.822 486 HZ PHE 60 HZ PHE 60 -2.075 -2.338 0.234 487 H GLU 61 H GLU 61 -7.896 -2.663 -4.355 488 HA GLU 61 HA GLU 61 -9.040 -0.495 -5.761 489 HB2 GLU 61 2HB GLU 61 -10.528 -1.779 -7.307 490 HB3 GLU 61 3HB GLU 61 -8.833 -1.818 -7.769 491 HG2 GLU 61 2HG GLU 61 -8.606 -4.100 -6.967 492 HG3 GLU 61 3HG GLU 61 -10.247 -4.075 -6.315 493 H ALA 62 H ALA 62 -11.556 -0.772 -5.735 494 HA ALA 62 HA ALA 62 -13.475 -0.884 -4.560 495 HB1 ALA 62 3HB ALA 62 -13.167 -3.342 -4.567 496 HB2 ALA 62 1HB ALA 62 -13.959 -2.779 -3.093 497 HB3 ALA 62 2HB ALA 62 -12.253 -3.235 -3.062 498 H LEU 63 H LEU 63 -12.081 1.192 -3.844 499 HA LEU 63 HA LEU 63 -12.225 1.335 -0.884 500 HB2 LEU 63 2HB LEU 63 -10.419 2.838 -2.789 501 HB3 LEU 63 3HB LEU 63 -10.805 3.512 -1.220 502 HG LEU 63 HG LEU 63 -8.699 2.449 -0.945 503 HD11 LEU 63 1HD1 LEU 63 -10.220 2.045 0.895 504 HD12 LEU 63 2HD1 LEU 63 -9.139 0.670 0.695 505 HD13 LEU 63 3HD1 LEU 63 -10.815 0.567 0.134 506 HD21 LEU 63 3HD2 LEU 63 -8.673 1.071 -2.987 507 HD22 LEU 63 1HD2 LEU 63 -9.781 -0.078 -2.234 508 HD23 LEU 63 2HD2 LEU 63 -8.159 0.152 -1.572 509 HA PRO 64 HA PRO 64 -15.795 3.831 -2.329 510 HB2 PRO 64 2HB PRO 64 -17.596 2.946 -0.506 511 HB3 PRO 64 3HB PRO 64 -17.063 1.908 -1.843 512 HG2 PRO 64 2HG PRO 64 -16.231 1.849 1.030 513 HG3 PRO 64 3HG PRO 64 -16.509 0.499 -0.085 514 HD2 PRO 64 2HD PRO 64 -14.014 1.565 0.552 515 HD3 PRO 64 3HD PRO 64 -14.370 0.538 -0.852 516 H SER 65 H SER 65 -14.969 5.894 -1.799 517 HA SER 65 HA SER 65 -14.955 6.926 0.900 518 HB2 SER 65 2HB SER 65 -14.720 8.358 -1.787 519 HB3 SER 65 3HB SER 65 -14.479 9.129 -0.212 520 HG SER 65 HG SER 65 -12.941 7.083 -1.431 521 HA PRO 66 HA PRO 66 -19.462 7.614 1.134 522 HB2 PRO 66 2HB PRO 66 -19.285 9.599 3.161 523 HB3 PRO 66 3HB PRO 66 -19.409 7.853 3.431 524 HG2 PRO 66 2HG PRO 66 -16.961 9.574 3.369 525 HG3 PRO 66 3HG PRO 66 -17.375 8.237 4.468 526 HD2 PRO 66 2HD PRO 66 -15.648 7.810 2.500 527 HD3 PRO 66 3HD PRO 66 -16.895 6.588 2.853 528 H VAL 67 H VAL 67 -20.538 8.751 -0.359 529 HA VAL 67 HA VAL 67 -19.634 11.211 -1.510 530 HB VAL 67 HB VAL 67 -22.378 9.887 -1.716 531 HG11 VAL 67 1HG1 VAL 67 -22.414 12.271 -2.361 532 HG12 VAL 67 2HG1 VAL 67 -22.690 11.229 -3.751 533 HG13 VAL 67 3HG1 VAL 67 -21.114 11.987 -3.521 534 HG21 VAL 67 3HG2 VAL 67 -19.983 9.624 -3.578 535 HG22 VAL 67 1HG2 VAL 67 -21.570 8.887 -3.822 536 HG23 VAL 67 2HG2 VAL 67 -20.560 8.385 -2.465 537 H ILE 68 H ILE 68 -19.666 13.040 -0.340 538 HA ILE 68 HA ILE 68 -21.819 13.534 1.616 539 HB ILE 68 HB ILE 68 -19.103 14.921 1.319 540 HG12 ILE 68 2HG1 ILE 68 -20.029 12.740 3.251 541 HG13 ILE 68 3HG1 ILE 68 -18.804 12.576 2.006 542 HG21 ILE 68 1HG2 ILE 68 -21.171 15.109 3.540 543 HG22 ILE 68 2HG2 ILE 68 -20.811 16.365 2.353 544 HG23 ILE 68 3HG2 ILE 68 -19.588 15.892 3.533 545 HD11 ILE 68 3HD1 ILE 68 -18.583 14.275 4.484 546 HD12 ILE 68 1HD1 ILE 68 -17.349 14.096 3.234 547 HD13 ILE 68 2HD1 ILE 68 -17.827 12.706 4.205 548 H ILE 69 H ILE 69 -23.421 14.840 0.959 549 HA ILE 69 HA ILE 69 -23.366 16.188 -1.561 550 HB ILE 69 HB ILE 69 -25.495 16.246 0.628 551 HG12 ILE 69 2HG1 ILE 69 -25.063 13.940 -0.162 552 HG13 ILE 69 3HG1 ILE 69 -26.650 14.484 -0.686 553 HG21 ILE 69 1HG2 ILE 69 -25.737 17.000 -2.310 554 HG22 ILE 69 2HG2 ILE 69 -25.790 18.113 -0.943 555 HG23 ILE 69 3HG2 ILE 69 -27.070 16.921 -1.154 556 HD11 ILE 69 3HD1 ILE 69 -24.165 14.306 -2.400 557 HD12 ILE 69 1HD1 ILE 69 -25.733 14.910 -2.942 558 HD13 ILE 69 2HD1 ILE 69 -25.559 13.229 -2.441 559 H GLY 70 H GLY 70 -23.245 18.328 -1.989 560 HA2 GLY 70 2HA GLY 70 -22.880 20.609 -1.634 561 HA3 GLY 70 3HA GLY 70 -22.822 20.330 0.104 562 H TYR 71 H TYR 71 -20.954 17.948 -1.125 563 HA TYR 71 HA TYR 71 -18.451 19.517 -1.191 564 HB2 TYR 71 2HB TYR 71 -18.967 16.964 0.411 565 HB3 TYR 71 3HB TYR 71 -17.370 17.661 0.150 566 HD1 TYR 71 HD2 TYR 71 -20.667 18.245 1.794 567 HD2 TYR 71 HD1 TYR 71 -16.600 19.526 1.497 568 HE1 TYR 71 HE2 TYR 71 -20.971 19.676 3.761 569 HE2 TYR 71 HE1 TYR 71 -16.921 20.968 3.467 570 HH TYR 71 HH TYR 71 -18.737 22.088 4.661 571 H THR 72 H THR 72 -16.633 18.076 -1.899 572 HA THR 72 HA THR 72 -17.285 15.938 -3.791 573 HB THR 72 HB THR 72 -15.592 18.394 -4.540 574 HG1 THR 72 HG1 THR 72 -18.260 17.745 -4.973 575 HG21 THR 72 3HG2 THR 72 -16.378 15.994 -6.236 576 HG22 THR 72 1HG2 THR 72 -14.770 16.313 -5.611 577 HG23 THR 72 2HG2 THR 72 -15.486 17.412 -6.795 578 H ALA 73 H ALA 73 -15.919 14.309 -3.241 579 HA ALA 73 HA ALA 73 -13.612 14.620 -1.591 580 HB1 ALA 73 3HB ALA 73 -14.873 12.515 -1.663 581 HB2 ALA 73 1HB ALA 73 -13.188 12.243 -2.115 582 HB3 ALA 73 2HB ALA 73 -14.441 12.293 -3.357 583 H ASP 74 H ASP 74 -11.527 14.972 -2.159 584 HA ASP 74 HA ASP 74 -10.907 16.096 -4.720 585 HB2 ASP 74 2HB ASP 74 -9.931 16.931 -2.581 586 HB3 ASP 74 3HB ASP 74 -9.077 15.406 -2.368 587 H LYS 75 H LYS 75 -10.116 13.165 -2.993 588 HA LYS 75 HA LYS 75 -9.700 11.766 -5.526 589 HB2 LYS 75 2HB LYS 75 -7.979 10.284 -4.431 590 HB3 LYS 75 3HB LYS 75 -7.433 11.922 -4.719 591 HG2 LYS 75 2HG LYS 75 -8.441 11.033 -2.012 592 HG3 LYS 75 3HG LYS 75 -6.775 10.778 -2.504 593 HD2 LYS 75 2HD LYS 75 -8.012 13.546 -2.556 594 HD3 LYS 75 3HD LYS 75 -7.347 12.868 -1.074 595 HE2 LYS 75 2HE LYS 75 -5.678 14.279 -2.106 596 HE3 LYS 75 3HE LYS 75 -5.139 12.606 -2.223 597 HZ1 LYS 75 3HZ LYS 75 -6.461 14.129 -4.411 598 HZ2 LYS 75 1HZ LYS 75 -5.819 12.566 -4.528 599 HZ3 LYS 75 2HZ LYS 75 -4.797 13.886 -4.279 600 HA PRO 76 HA PRO 76 -13.222 9.917 -3.070 601 HB2 PRO 76 2HB PRO 76 -14.739 9.210 -5.254 602 HB3 PRO 76 3HB PRO 76 -14.739 10.854 -4.583 603 HG2 PRO 76 2HG PRO 76 -13.174 9.787 -6.914 604 HG3 PRO 76 3HG PRO 76 -14.133 11.281 -6.800 605 HD2 PRO 76 2HD PRO 76 -11.459 11.331 -6.536 606 HD3 PRO 76 3HD PRO 76 -12.497 12.395 -5.555 607 H MET 77 H MET 77 -10.895 8.721 -5.163 608 HA MET 77 HA MET 77 -11.162 6.056 -4.010 609 HB2 MET 77 2HB MET 77 -12.175 5.907 -6.277 610 HB3 MET 77 3HB MET 77 -10.725 6.620 -6.985 611 HG2 MET 77 2HG MET 77 -10.736 4.212 -7.304 612 HG3 MET 77 3HG MET 77 -9.414 4.673 -6.226 613 HE1 MET 77 3HE MET 77 -9.130 2.212 -5.385 614 HE2 MET 77 1HE MET 77 -10.431 1.670 -6.449 615 HE3 MET 77 2HE MET 77 -10.444 1.227 -4.741 616 H VAL 78 H VAL 78 -9.213 5.349 -3.303 617 HA VAL 78 HA VAL 78 -6.726 6.456 -4.474 618 HB VAL 78 HB VAL 78 -7.099 5.609 -1.551 619 HG11 VAL 78 1HG1 VAL 78 -4.655 6.738 -2.968 620 HG12 VAL 78 2HG1 VAL 78 -4.851 5.085 -2.381 621 HG13 VAL 78 3HG1 VAL 78 -4.785 6.420 -1.236 622 HG21 VAL 78 3HG2 VAL 78 -6.753 7.986 -0.979 623 HG22 VAL 78 1HG2 VAL 78 -8.179 7.782 -1.998 624 HG23 VAL 78 2HG2 VAL 78 -6.682 8.401 -2.693 625 H GLY 79 H GLY 79 -5.451 4.950 -5.350 626 HA2 GLY 79 2HA GLY 79 -4.549 2.951 -6.012 627 HA3 GLY 79 3HA GLY 79 -5.089 2.272 -4.488 628 HA PRO 80 HA PRO 80 -8.551 1.185 -7.596 629 HB2 PRO 80 2HB PRO 80 -8.963 2.534 -9.856 630 HB3 PRO 80 3HB PRO 80 -9.242 3.342 -8.299 631 HG2 PRO 80 2HG PRO 80 -6.909 3.601 -10.163 632 HG3 PRO 80 3HG PRO 80 -7.754 4.858 -9.234 633 HD2 PRO 80 2HD PRO 80 -5.375 3.548 -8.448 634 HD3 PRO 80 3HD PRO 80 -6.421 4.533 -7.402 635 H ASP 81 H ASP 81 -5.539 0.418 -8.061 636 HA ASP 81 HA ASP 81 -5.842 -1.304 -10.311 637 HB2 ASP 81 2HB ASP 81 -4.376 -0.258 -11.937 638 HB3 ASP 81 3HB ASP 81 -5.644 0.887 -11.526 639 H GLU 82 H GLU 82 -3.232 -1.538 -11.139 640 HA GLU 82 HA GLU 82 -2.323 -3.457 -9.221 641 HB2 GLU 82 2HB GLU 82 -1.072 -2.509 -11.837 642 HB3 GLU 82 3HB GLU 82 -0.443 -3.839 -10.873 643 HG2 GLU 82 2HG GLU 82 -1.699 -4.747 -12.707 644 HG3 GLU 82 3HG GLU 82 -2.562 -5.074 -11.210 645 H VAL 83 H VAL 83 -0.756 -3.332 -7.720 646 HA VAL 83 HA VAL 83 1.106 -1.020 -7.664 647 HB VAL 83 HB VAL 83 -0.280 -2.423 -5.313 648 HG11 VAL 83 1HG1 VAL 83 1.942 -0.344 -5.177 649 HG12 VAL 83 2HG1 VAL 83 2.036 -2.025 -4.648 650 HG13 VAL 83 3HG1 VAL 83 0.974 -0.900 -3.807 651 HG21 VAL 83 3HG2 VAL 83 -0.376 0.452 -6.312 652 HG22 VAL 83 1HG2 VAL 83 -1.154 -0.134 -4.837 653 HG23 VAL 83 2HG2 VAL 83 -1.669 -0.746 -6.407 654 H THR 84 H THR 84 3.072 -1.777 -8.238 655 HA THR 84 HA THR 84 3.859 -4.547 -7.624 656 HB THR 84 HB THR 84 5.285 -2.468 -9.357 657 HG1 THR 84 HG1 THR 84 3.894 -4.654 -10.451 658 HG21 THR 84 3HG2 THR 84 6.773 -4.282 -8.571 659 HG22 THR 84 1HG2 THR 84 6.490 -4.390 -10.305 660 HG23 THR 84 2HG2 THR 84 5.647 -5.487 -9.206 661 H VAL 85 H VAL 85 4.931 -4.801 -5.728 662 HA VAL 85 HA VAL 85 6.752 -2.699 -4.731 663 HB VAL 85 HB VAL 85 5.935 -5.301 -3.336 664 HG11 VAL 85 1HG1 VAL 85 7.278 -2.800 -2.231 665 HG12 VAL 85 2HG1 VAL 85 8.054 -4.362 -2.497 666 HG13 VAL 85 3HG1 VAL 85 6.781 -4.207 -1.288 667 HG21 VAL 85 3HG2 VAL 85 4.371 -3.958 -2.009 668 HG22 VAL 85 1HG2 VAL 85 3.970 -3.856 -3.722 669 HG23 VAL 85 2HG2 VAL 85 4.792 -2.512 -2.929 670 H ASP 86 H ASP 86 8.833 -2.837 -5.310 671 HA ASP 86 HA ASP 86 9.876 -5.259 -6.623 672 HB2 ASP 86 2HB ASP 86 10.859 -2.385 -6.461 673 HB3 ASP 86 3HB ASP 86 11.787 -3.668 -7.235 674 H SER 87 H SER 87 12.150 -5.858 -6.199 675 HA SER 87 HA SER 87 12.654 -6.569 -3.535 676 HB2 SER 87 2HB SER 87 14.950 -7.222 -4.423 677 HB3 SER 87 3HB SER 87 13.603 -7.862 -5.365 678 HG SER 87 HG SER 87 14.665 -6.985 -6.978 679 H LYS 88 H LYS 88 13.739 -3.926 -5.506 680 HA LYS 88 HA LYS 88 15.750 -2.685 -4.109 681 HB2 LYS 88 2HB LYS 88 13.396 -1.292 -5.470 682 HB3 LYS 88 3HB LYS 88 14.977 -0.585 -5.163 683 HG2 LYS 88 2HG LYS 88 16.014 -2.142 -6.740 684 HG3 LYS 88 3HG LYS 88 14.459 -2.924 -7.027 685 HD2 LYS 88 2HD LYS 88 15.091 -0.010 -7.655 686 HD3 LYS 88 3HD LYS 88 15.064 -1.318 -8.834 687 HE2 LYS 88 2HE LYS 88 12.683 -1.661 -8.475 688 HE3 LYS 88 3HE LYS 88 12.669 -0.472 -7.170 689 HZ1 LYS 88 3HZ LYS 88 11.811 0.489 -9.198 690 HZ2 LYS 88 1HZ LYS 88 13.219 0.081 -10.040 691 HZ3 LYS 88 2HZ LYS 88 13.280 1.234 -8.804 692 H ASN 89 H ASN 89 12.260 -2.362 -3.636 693 HA ASN 89 HA ASN 89 12.640 -0.801 -1.144 694 HB2 ASN 89 2HB ASN 89 10.684 0.500 -1.727 695 HB3 ASN 89 3HB ASN 89 11.738 0.487 -3.140 696 HD21 ASN 89 1HD2 ASN 89 8.673 -0.472 -1.858 697 HD22 ASN 89 2HD2 ASN 89 7.998 -1.058 -3.336 698 H PHE 90 H PHE 90 12.165 -3.839 -1.664 699 HA PHE 90 HA PHE 90 9.410 -4.358 -1.281 700 HB2 PHE 90 2HB PHE 90 11.201 -5.919 -2.330 701 HB3 PHE 90 3HB PHE 90 11.531 -6.447 -0.685 702 HD1 PHE 90 HD1 PHE 90 9.691 -7.554 0.645 703 HD2 PHE 90 HD2 PHE 90 9.217 -6.661 -3.511 704 HE1 PHE 90 HE1 PHE 90 7.744 -9.053 0.541 705 HE2 PHE 90 HE2 PHE 90 7.283 -8.193 -3.619 706 HZ PHE 90 HZ PHE 90 6.545 -9.396 -1.597 707 H LEU 91 H LEU 91 11.947 -3.834 0.981 708 HA LEU 91 HA LEU 91 10.616 -5.051 3.250 709 HB2 LEU 91 2HB LEU 91 13.071 -3.254 3.081 710 HB3 LEU 91 3HB LEU 91 12.503 -4.022 4.551 711 HG LEU 91 HG LEU 91 14.351 -5.339 3.774 712 HD11 LEU 91 1HD1 LEU 91 11.822 -6.808 2.982 713 HD12 LEU 91 2HD1 LEU 91 12.472 -6.658 4.615 714 HD13 LEU 91 3HD1 LEU 91 13.373 -7.549 3.392 715 HD21 LEU 91 3HD2 LEU 91 13.053 -5.603 1.035 716 HD22 LEU 91 1HD2 LEU 91 14.592 -6.303 1.554 717 HD23 LEU 91 2HD2 LEU 91 14.429 -4.555 1.414 718 H ASP 92 H ASP 92 10.539 -2.066 1.580 719 HA ASP 92 HA ASP 92 8.972 -0.682 3.666 720 HB2 ASP 92 2HB ASP 92 10.853 0.568 2.546 721 HB3 ASP 92 3HB ASP 92 10.034 0.384 1.002 722 H LYS 93 H LYS 93 6.866 0.163 3.117 723 HA LYS 93 HA LYS 93 5.564 -0.971 0.698 724 HB2 LYS 93 2HB LYS 93 3.412 -0.742 1.884 725 HB3 LYS 93 3HB LYS 93 4.522 -1.734 2.818 726 HG2 LYS 93 2HG LYS 93 5.018 0.255 4.253 727 HG3 LYS 93 3HG LYS 93 3.812 1.162 3.349 728 HD2 LYS 93 2HD LYS 93 2.808 0.395 5.412 729 HD3 LYS 93 3HD LYS 93 2.083 -0.511 4.081 730 HE2 LYS 93 2HE LYS 93 2.583 -1.966 5.985 731 HE3 LYS 93 3HE LYS 93 3.553 -2.421 4.586 732 HZ1 LYS 93 3HZ LYS 93 5.401 -1.131 5.577 733 HZ2 LYS 93 1HZ LYS 93 4.921 -2.439 6.538 734 HZ3 LYS 93 2HZ LYS 93 4.462 -0.865 6.954 735 H GLN 94 H GLN 94 4.967 0.470 -0.832 736 HA GLN 94 HA GLN 94 5.757 3.237 -0.513 737 HB2 GLN 94 2HB GLN 94 5.156 3.514 -2.918 738 HB3 GLN 94 3HB GLN 94 6.316 2.240 -2.621 739 HG2 GLN 94 2HG GLN 94 3.444 1.422 -2.804 740 HG3 GLN 94 3HG GLN 94 4.226 1.948 -4.290 741 HE21 GLN 94 1HE2 GLN 94 4.069 -0.093 -5.203 742 HE22 GLN 94 2HE2 GLN 94 5.042 -1.423 -4.694 743 H ASN 95 H ASN 95 2.813 1.592 -0.052 744 HA ASN 95 HA ASN 95 1.326 4.165 0.058 745 HB2 ASN 95 2HB ASN 95 0.168 1.342 -0.182 746 HB3 ASN 95 3HB ASN 95 -0.764 2.831 -0.107 747 HD21 ASN 95 1HD2 ASN 95 -0.934 4.100 -1.946 748 HD22 ASN 95 2HD2 ASN 95 -0.417 3.579 -3.506 749 H ARG 96 H ARG 96 0.735 4.808 2.077 750 HA ARG 96 HA ARG 96 0.818 2.927 4.357 751 HB2 ARG 96 2HB ARG 96 2.107 5.686 4.330 752 HB3 ARG 96 3HB ARG 96 1.998 4.628 5.728 753 HG2 ARG 96 2HG ARG 96 3.589 3.080 4.772 754 HG3 ARG 96 3HG ARG 96 3.558 3.926 3.218 755 HD2 ARG 96 2HD ARG 96 4.527 5.130 5.837 756 HD3 ARG 96 3HD ARG 96 5.573 4.493 4.565 757 HE ARG 96 HE ARG 96 3.961 6.370 3.334 758 HH11 ARG 96 1HH1 ARG 96 6.340 6.445 5.951 759 HH12 ARG 96 2HH1 ARG 96 6.793 8.091 5.635 760 HH21 ARG 96 2HH2 ARG 96 4.572 8.518 2.941 761 HH22 ARG 96 1HH2 ARG 96 5.788 9.266 3.929 762 H GLU 97 H GLU 97 0.520 6.431 4.625 763 HA GLU 97 HA GLU 97 -2.309 6.153 5.429 764 HB2 GLU 97 2HB GLU 97 -0.138 8.119 6.302 765 HB3 GLU 97 3HB GLU 97 -1.845 8.414 6.605 766 HG2 GLU 97 2HG GLU 97 -0.866 7.542 8.613 767 HG3 GLU 97 3HG GLU 97 -1.947 6.329 7.945 768 H GLU 98 H GLU 98 -3.414 6.573 3.624 769 HA GLU 98 HA GLU 98 -2.872 9.076 2.136 770 HB2 GLU 98 2HB GLU 98 -4.084 6.411 1.288 771 HB3 GLU 98 3HB GLU 98 -4.526 7.888 0.435 772 HG2 GLU 98 2HG GLU 98 -2.717 6.642 -0.700 773 HG3 GLU 98 3HG GLU 98 -2.243 8.277 -0.266 774 H THR 99 H THR 99 -4.423 10.623 2.077 775 HA THR 99 HA THR 99 -6.897 10.185 3.661 776 HB THR 99 HB THR 99 -5.131 12.684 3.507 777 HG1 THR 99 HG1 THR 99 -4.204 11.095 4.789 778 HG21 THR 99 3HG2 THR 99 -7.477 13.339 3.827 779 HG22 THR 99 1HG2 THR 99 -6.579 13.572 5.322 780 HG23 THR 99 2HG2 THR 99 -7.653 12.180 5.149 781 H VAL 100 H VAL 100 -8.661 10.377 2.406 782 HA VAL 100 HA VAL 100 -8.622 12.005 -0.014 783 HB VAL 100 HB VAL 100 -10.697 11.174 -0.623 784 HG11 VAL 100 1HG1 VAL 100 -10.732 8.734 -0.200 785 HG12 VAL 100 2HG1 VAL 100 -9.530 8.946 1.077 786 HG13 VAL 100 3HG1 VAL 100 -9.123 9.337 -0.594 787 HG21 VAL 100 3HG2 VAL 100 -12.026 11.859 1.279 788 HG22 VAL 100 1HG2 VAL 100 -11.373 10.549 2.266 789 HG23 VAL 100 2HG2 VAL 100 -12.394 10.185 0.871 790 H ILE 101 H ILE 101 -9.742 13.943 -0.291 791 HA ILE 101 HA ILE 101 -10.320 15.418 2.226 792 HB ILE 101 HB ILE 101 -8.913 16.360 -0.306 793 HG12 ILE 101 2HG1 ILE 101 -7.477 15.123 1.281 794 HG13 ILE 101 3HG1 ILE 101 -7.001 16.814 1.208 795 HG21 ILE 101 1HG2 ILE 101 -10.387 18.166 0.370 796 HG22 ILE 101 2HG2 ILE 101 -8.724 18.599 0.762 797 HG23 ILE 101 3HG2 ILE 101 -9.818 18.061 2.039 798 HD11 ILE 101 3HD1 ILE 101 -6.913 15.974 3.483 799 HD12 ILE 101 1HD1 ILE 101 -8.612 15.508 3.409 800 HD13 ILE 101 2HD1 ILE 101 -8.160 17.214 3.350 801 H TYR 102 H TYR 102 -12.461 15.761 2.378 802 HA TYR 102 HA TYR 102 -14.133 16.130 0.018 803 HB2 TYR 102 2HB TYR 102 -14.910 16.188 2.967 804 HB3 TYR 102 3HB TYR 102 -16.018 16.150 1.597 805 HD1 TYR 102 HD1 TYR 102 -15.998 14.072 0.080 806 HD2 TYR 102 HD2 TYR 102 -14.058 14.170 3.880 807 HE1 TYR 102 HE1 TYR 102 -15.948 11.614 0.123 808 HE2 TYR 102 HE2 TYR 102 -14.016 11.721 3.919 809 HH TYR 102 HH TYR 102 -14.533 9.840 1.232 810 H SER 103 H SER 103 -13.669 18.001 -0.829 811 HA SER 103 HA SER 103 -13.523 20.473 0.767 812 HB2 SER 103 2HB SER 103 -12.585 21.369 -1.440 813 HB3 SER 103 3HB SER 103 -11.596 20.131 -0.668 814 HG SER 103 HG SER 103 -13.520 19.505 -2.656 815 H ALA 104 H ALA 104 -15.091 22.097 0.355 816 HA ALA 104 HA ALA 104 -17.666 21.340 -0.305 817 HB1 ALA 104 3HB ALA 104 -16.515 24.140 -0.463 818 HB2 ALA 104 1HB ALA 104 -17.170 23.370 0.982 819 HB3 ALA 104 2HB ALA 104 -18.232 23.738 -0.380 820 H ASN 105 H ASN 105 -19.013 21.720 -2.135 821 HA ASN 105 HA ASN 105 -17.851 20.418 -4.349 822 HB2 ASN 105 2HB ASN 105 -20.329 20.513 -3.276 823 HB3 ASN 105 3HB ASN 105 -20.595 21.668 -4.559 824 HD21 ASN 105 1HD2 ASN 105 -21.582 18.865 -3.962 825 HD22 ASN 105 2HD2 ASN 105 -21.367 18.018 -5.452 826 H THR 106 H THR 106 -18.821 21.241 -6.672 827 HA THR 106 HA THR 106 -17.159 23.176 -7.741 828 HB THR 106 HB THR 106 -18.275 21.504 -9.094 829 HG1 THR 106 HG1 THR 106 -19.097 24.113 -9.925 830 HG21 THR 106 3HG2 THR 106 -20.454 21.399 -7.959 831 HG22 THR 106 1HG2 THR 106 -20.645 21.617 -9.701 832 HG23 THR 106 2HG2 THR 106 -20.869 22.985 -8.613 833 H ILE 107 H ILE 107 -19.974 23.789 -5.893 834 HA ILE 107 HA ILE 107 -20.839 26.312 -6.452 835 HB ILE 107 HB ILE 107 -20.097 25.235 -3.686 836 HG12 ILE 107 2HG1 ILE 107 -22.809 25.046 -5.087 837 HG13 ILE 107 3HG1 ILE 107 -21.638 23.734 -5.039 838 HG21 ILE 107 1HG2 ILE 107 -21.768 26.810 -2.784 839 HG22 ILE 107 2HG2 ILE 107 -22.070 27.430 -4.408 840 HG23 ILE 107 3HG2 ILE 107 -20.486 27.666 -3.661 841 HD11 ILE 107 3HD1 ILE 107 -22.990 24.970 -2.645 842 HD12 ILE 107 1HD1 ILE 107 -21.810 23.658 -2.607 843 HD13 ILE 107 2HD1 ILE 107 -23.373 23.417 -3.386 844 H THR 108 H THR 108 -17.878 25.476 -4.606 845 HA THR 108 HA THR 108 -16.865 28.222 -4.940 846 HB THR 108 HB THR 108 -17.042 27.402 -2.625 847 HG1 THR 108 HG1 THR 108 -14.836 27.924 -2.048 848 HG21 THR 108 3HG2 THR 108 -14.946 25.350 -3.382 849 HG22 THR 108 1HG2 THR 108 -16.628 25.006 -2.971 850 HG23 THR 108 2HG2 THR 108 -15.541 25.675 -1.752 851 H GLN 109 H GLN 109 -16.243 24.895 -5.840 852 HA GLN 109 HA GLN 109 -13.459 25.230 -6.597 853 HB2 GLN 109 2HB GLN 109 -15.423 23.009 -7.335 854 HB3 GLN 109 3HB GLN 109 -13.681 22.958 -7.585 855 HG2 GLN 109 2HG GLN 109 -13.277 22.908 -5.204 856 HG3 GLN 109 3HG GLN 109 -14.983 23.185 -4.861 857 HE21 GLN 109 1HE2 GLN 109 -15.932 21.291 -6.909 858 HE22 GLN 109 2HE2 GLN 109 -15.610 19.722 -6.286 859 H ASN 110 H ASN 110 -12.733 24.854 -8.887 860 HA ASN 110 HA ASN 110 -14.025 26.542 -10.794 861 HB2 ASN 110 2HB ASN 110 -11.947 24.378 -11.376 862 HB3 ASN 110 3HB ASN 110 -12.377 25.714 -12.432 863 HD21 ASN 110 1HD2 ASN 110 -10.526 24.725 -9.703 864 HD22 ASN 110 2HD2 ASN 110 -9.656 26.202 -9.484 865 H LYS 111 H LYS 111 -15.722 26.085 -11.982 866 HA LYS 111 HA LYS 111 -17.079 23.610 -11.983 867 HB2 LYS 111 2HB LYS 111 -18.612 24.747 -13.624 868 HB3 LYS 111 3HB LYS 111 -18.344 25.631 -12.129 869 HG2 LYS 111 2HG LYS 111 -16.593 27.006 -13.395 870 HG3 LYS 111 3HG LYS 111 -17.218 26.258 -14.869 871 HD2 LYS 111 2HD LYS 111 -19.476 27.144 -14.343 872 HD3 LYS 111 3HD LYS 111 -18.816 27.902 -12.889 873 HE2 LYS 111 2HE LYS 111 -19.053 29.532 -14.715 874 HE3 LYS 111 3HE LYS 111 -17.359 29.327 -14.269 875 HZ1 LYS 111 3HZ LYS 111 -17.091 27.850 -16.184 876 HZ2 LYS 111 1HZ LYS 111 -17.631 29.382 -16.663 877 HZ3 LYS 111 2HZ LYS 111 -18.708 28.077 -16.617 878 H LYS 112 H LYS 112 -17.251 22.051 -13.465 879 HA LYS 112 HA LYS 112 -15.949 21.944 -16.008 880 HB2 LYS 112 2HB LYS 112 -14.272 20.129 -15.319 881 HB3 LYS 112 3HB LYS 112 -13.866 21.768 -14.831 882 HG2 LYS 112 2HG LYS 112 -14.709 21.280 -12.547 883 HG3 LYS 112 3HG LYS 112 -15.054 19.621 -13.043 884 HD2 LYS 112 2HD LYS 112 -12.676 19.196 -13.420 885 HD3 LYS 112 3HD LYS 112 -12.287 20.887 -13.084 886 HE2 LYS 112 2HE LYS 112 -13.418 18.873 -11.111 887 HE3 LYS 112 3HE LYS 112 -11.775 19.514 -11.127 888 HZ1 LYS 112 3HZ LYS 112 -14.251 21.093 -10.656 889 HZ2 LYS 112 1HZ LYS 112 -12.686 21.724 -10.695 890 HZ3 LYS 112 2HZ LYS 112 -13.126 20.636 -9.481 891 H ASP 113 H ASP 113 -16.879 19.937 -13.228 892 HA ASP 113 HA ASP 113 -19.056 18.708 -14.544 893 HB2 ASP 113 2HB ASP 113 -17.244 17.365 -15.585 894 HB3 ASP 113 3HB ASP 113 -16.663 16.907 -13.991 895 H GLY 114 H GLY 114 -20.434 18.037 -13.096 896 HA2 GLY 114 2HA GLY 114 -19.593 17.047 -10.434 897 HA3 GLY 114 3HA GLY 114 -20.891 18.237 -10.577 898 H LEU 115 H LEU 115 -20.876 16.301 -13.304 899 HA LEU 115 HA LEU 115 -23.379 15.076 -12.673 900 HB2 LEU 115 2HB LEU 115 -21.547 14.632 -15.067 901 HB3 LEU 115 3HB LEU 115 -23.232 14.145 -14.965 902 HG LEU 115 HG LEU 115 -22.240 17.019 -14.972 903 HD11 LEU 115 1HD1 LEU 115 -23.576 15.462 -17.208 904 HD12 LEU 115 2HD1 LEU 115 -21.886 15.962 -17.147 905 HD13 LEU 115 3HD1 LEU 115 -23.153 17.178 -17.243 906 HD21 LEU 115 3HD2 LEU 115 -25.078 15.955 -15.019 907 HD22 LEU 115 1HD2 LEU 115 -24.615 17.645 -15.245 908 HD23 LEU 115 2HD2 LEU 115 -24.304 16.846 -13.709 909 H GLU 116 H GLU 116 -20.046 14.113 -12.434 910 HA GLU 116 HA GLU 116 -20.274 11.309 -12.586 911 HB2 GLU 116 2HB GLU 116 -18.119 12.809 -12.470 912 HB3 GLU 116 3HB GLU 116 -18.291 12.678 -10.730 913 HG2 GLU 116 2HG GLU 116 -17.883 10.393 -12.675 914 HG3 GLU 116 3HG GLU 116 -16.678 11.052 -11.591 915 H HIS 117 H HIS 117 -21.758 10.303 -11.509 916 HA HIS 117 HA HIS 117 -21.843 10.323 -8.575 917 HB2 HIS 117 2HB HIS 117 -24.281 10.645 -10.364 918 HB3 HIS 117 3HB HIS 117 -24.377 10.245 -8.657 919 HD1 HIS 117 HD1 HIS 117 -23.053 12.196 -7.093 920 HD2 HIS 117 HD2 HIS 117 -24.530 13.310 -10.814 921 HE1 HIS 117 HE1 HIS 117 -23.238 14.698 -7.021 922 HE2 HIS 117 HE2 HIS 117 -23.877 15.330 -9.357 923 H HIS 118 H HIS 118 -20.952 8.627 -10.963 924 HA HIS 118 HA HIS 118 -22.570 6.241 -10.878 925 HB2 HIS 118 2HB HIS 118 -19.758 6.632 -12.005 926 HB3 HIS 118 3HB HIS 118 -20.746 5.192 -12.220 927 HD1 HIS 118 HD1 HIS 118 -22.558 5.265 -14.022 928 HD2 HIS 118 HD2 HIS 118 -20.538 8.871 -13.552 929 HE1 HIS 118 HE1 HIS 118 -23.177 6.650 -16.018 930 HE2 HIS 118 HE2 HIS 118 -22.035 8.862 -15.662 931 H HIS 119 H HIS 119 -22.539 6.145 -8.517 932 HA HIS 119 HA HIS 119 -20.169 4.916 -7.289 933 HB2 HIS 119 2HB HIS 119 -21.383 5.077 -5.173 934 HB3 HIS 119 3HB HIS 119 -21.436 6.635 -5.992 935 HD1 HIS 119 HD1 HIS 119 -23.502 5.029 -3.865 936 HD2 HIS 119 HD2 HIS 119 -24.128 6.309 -7.766 937 HE1 HIS 119 HE1 HIS 119 -25.989 5.234 -4.130 938 HE2 HIS 119 HE2 HIS 119 -26.331 5.735 -6.558 939 H HIS 120 H HIS 120 -20.557 2.876 -6.039 940 HA HIS 120 HA HIS 120 -21.640 0.917 -7.855 941 HB2 HIS 120 2HB HIS 120 -20.465 0.504 -5.069 942 HB3 HIS 120 3HB HIS 120 -20.697 -0.735 -6.308 943 HD1 HIS 120 HD1 HIS 120 -18.242 1.641 -5.076 944 HD2 HIS 120 HD2 HIS 120 -19.033 -0.181 -8.721 945 HE1 HIS 120 HE1 HIS 120 -16.175 1.965 -6.447 946 HE2 HIS 120 HE2 HIS 120 -16.599 0.667 -8.560 947 H HIS 121 H HIS 121 -22.219 1.152 -4.336 948 HA HIS 121 HA HIS 121 -25.100 1.638 -4.735 949 HB2 HIS 121 2HB HIS 121 -24.033 -0.522 -2.828 950 HB3 HIS 121 3HB HIS 121 -25.716 -0.014 -2.963 951 HD1 HIS 121 HD1 HIS 121 -23.289 -2.399 -4.333 952 HD2 HIS 121 HD2 HIS 121 -26.936 -0.776 -5.503 953 HE1 HIS 121 HE1 HIS 121 -24.107 -3.852 -6.208 954 HE2 HIS 121 HE2 HIS 121 -26.204 -2.741 -7.017 955 H HIS 122 H HIS 122 -22.575 1.005 -2.345 956 HA HIS 122 HA HIS 122 -22.775 3.789 -1.367 957 HB2 HIS 122 2HB HIS 122 -22.057 1.335 0.305 958 HB3 HIS 122 3HB HIS 122 -22.048 3.000 0.872 959 HD1 HIS 122 HD1 HIS 122 -24.411 4.125 1.232 960 HD2 HIS 122 HD2 HIS 122 -24.524 0.065 0.343 961 HE1 HIS 122 HE1 HIS 122 -26.712 3.354 1.872 962 HE2 HIS 122 HE2 HIS 122 -26.795 0.930 1.228 Start of MODEL 11 1 H1 MET 1 1H MET 1 23.238 -26.224 4.504 2 H2 MET 1 2H MET 1 23.088 -26.701 2.895 3 H3 MET 1 3H MET 1 23.475 -27.842 4.077 4 HA MET 1 HA MET 1 21.190 -28.041 3.402 5 HB2 MET 1 2HB MET 1 21.881 -28.559 5.756 6 HB3 MET 1 3HB MET 1 21.499 -26.908 6.220 7 HG2 MET 1 2HG MET 1 19.124 -27.305 5.684 8 HG3 MET 1 3HG MET 1 19.509 -28.956 5.193 9 HE1 MET 1 3HE MET 1 17.259 -28.097 7.407 10 HE2 MET 1 1HE MET 1 17.527 -29.346 8.624 11 HE3 MET 1 2HE MET 1 17.527 -29.771 6.914 12 H ILE 2 H ILE 2 19.271 -27.053 2.802 13 HA ILE 2 HA ILE 2 19.066 -24.094 3.105 14 HB ILE 2 HB ILE 2 18.244 -25.805 0.688 15 HG12 ILE 2 2HG1 ILE 2 20.697 -25.467 0.773 16 HG13 ILE 2 3HG1 ILE 2 19.994 -24.600 -0.584 17 HG21 ILE 2 1HG2 ILE 2 17.975 -22.801 1.089 18 HG22 ILE 2 2HG2 ILE 2 16.658 -23.973 0.987 19 HG23 ILE 2 3HG2 ILE 2 17.668 -23.660 -0.422 20 HD11 ILE 2 3HD1 ILE 2 20.162 -22.504 0.701 21 HD12 ILE 2 1HD1 ILE 2 21.723 -23.292 0.467 22 HD13 ILE 2 2HD1 ILE 2 20.908 -23.397 2.025 23 H GLU 3 H GLU 3 17.037 -23.334 3.792 24 HA GLU 3 HA GLU 3 14.752 -25.221 3.748 25 HB2 GLU 3 2HB GLU 3 13.675 -23.861 5.505 26 HB3 GLU 3 3HB GLU 3 15.212 -24.504 6.061 27 HG2 GLU 3 2HG GLU 3 16.263 -22.361 5.907 28 HG3 GLU 3 3HG GLU 3 14.901 -21.679 5.025 29 HA PRO 4 HA PRO 4 13.140 -22.406 0.528 30 HB2 PRO 4 2HB PRO 4 10.554 -23.836 1.141 31 HB3 PRO 4 3HB PRO 4 11.395 -23.640 -0.413 32 HG2 PRO 4 2HG PRO 4 11.397 -25.999 0.820 33 HG3 PRO 4 3HG PRO 4 12.859 -25.419 -0.015 34 HD2 PRO 4 2HD PRO 4 12.241 -25.406 2.940 35 HD3 PRO 4 3HD PRO 4 13.748 -25.843 2.100 36 H ILE 5 H ILE 5 12.440 -20.346 0.909 37 HA ILE 5 HA ILE 5 10.739 -19.764 3.271 38 HB ILE 5 HB ILE 5 11.996 -17.607 3.566 39 HG12 ILE 5 2HG1 ILE 5 13.999 -18.815 1.601 40 HG13 ILE 5 3HG1 ILE 5 12.934 -17.461 1.255 41 HG21 ILE 5 1HG2 ILE 5 13.722 -20.086 3.872 42 HG22 ILE 5 2HG2 ILE 5 12.525 -19.501 5.029 43 HG23 ILE 5 3HG2 ILE 5 13.976 -18.548 4.704 44 HD11 ILE 5 3HD1 ILE 5 14.105 -16.110 2.899 45 HD12 ILE 5 1HD1 ILE 5 15.208 -16.749 1.683 46 HD13 ILE 5 2HD1 ILE 5 15.156 -17.469 3.290 47 H LYS 6 H LYS 6 9.985 -17.387 3.053 48 HA LYS 6 HA LYS 6 9.834 -16.175 0.458 49 HB2 LYS 6 2HB LYS 6 7.429 -16.126 0.168 50 HB3 LYS 6 3HB LYS 6 7.900 -17.808 0.317 51 HG2 LYS 6 2HG LYS 6 6.736 -16.182 2.596 52 HG3 LYS 6 3HG LYS 6 5.762 -17.146 1.495 53 HD2 LYS 6 2HD LYS 6 7.926 -18.201 3.364 54 HD3 LYS 6 3HD LYS 6 6.187 -18.343 3.620 55 HE2 LYS 6 2HE LYS 6 7.811 -19.652 1.414 56 HE3 LYS 6 3HE LYS 6 7.065 -20.455 2.794 57 HZ1 LYS 6 3HZ LYS 6 5.581 -19.035 0.657 58 HZ2 LYS 6 1HZ LYS 6 4.907 -19.904 1.938 59 HZ3 LYS 6 2HZ LYS 6 5.794 -20.707 0.748 60 H ARG 7 H ARG 7 8.918 -13.992 0.622 61 HA ARG 7 HA ARG 7 8.661 -13.024 3.435 62 HB2 ARG 7 2HB ARG 7 10.898 -12.405 2.326 63 HB3 ARG 7 3HB ARG 7 9.977 -11.406 1.200 64 HG2 ARG 7 2HG ARG 7 9.047 -10.169 3.230 65 HG3 ARG 7 3HG ARG 7 10.221 -11.053 4.209 66 HD2 ARG 7 2HD ARG 7 12.056 -10.081 2.877 67 HD3 ARG 7 3HD ARG 7 10.883 -9.201 1.898 68 HE ARG 7 HE ARG 7 11.872 -8.495 4.469 69 HH11 ARG 7 1HH1 ARG 7 8.979 -8.178 2.487 70 HH12 ARG 7 2HH1 ARG 7 8.446 -6.750 3.313 71 HH21 ARG 7 1HH2 ARG 7 11.158 -6.626 5.508 72 HH22 ARG 7 2HH2 ARG 7 9.671 -5.876 5.012 73 H THR 8 H THR 8 7.297 -11.184 3.733 74 HA THR 8 HA THR 8 5.358 -10.677 1.584 75 HB THR 8 HB THR 8 4.892 -10.871 4.604 76 HG1 THR 8 HG1 THR 8 4.173 -12.601 2.456 77 HG21 THR 8 3HG2 THR 8 3.390 -9.212 3.563 78 HG22 THR 8 1HG2 THR 8 2.496 -10.644 4.077 79 HG23 THR 8 2HG2 THR 8 2.883 -10.411 2.371 80 H GLN 9 H GLN 9 5.970 -8.662 0.878 81 HA GLN 9 HA GLN 9 6.423 -6.486 2.833 82 HB2 GLN 9 2HB GLN 9 8.028 -6.754 0.890 83 HB3 GLN 9 3HB GLN 9 6.695 -6.463 -0.225 84 HG2 GLN 9 2HG GLN 9 8.163 -4.467 0.166 85 HG3 GLN 9 3HG GLN 9 6.461 -4.182 0.530 86 HE21 GLN 9 1HE2 GLN 9 9.597 -4.823 1.956 87 HE22 GLN 9 2HE2 GLN 9 9.256 -4.172 3.505 88 H VAL 10 H VAL 10 4.620 -5.299 3.370 89 HA VAL 10 HA VAL 10 2.335 -5.323 1.481 90 HB VAL 10 HB VAL 10 0.857 -4.682 3.332 91 HG11 VAL 10 1HG1 VAL 10 0.874 -6.826 4.574 92 HG12 VAL 10 2HG1 VAL 10 2.495 -7.166 3.962 93 HG13 VAL 10 3HG1 VAL 10 1.133 -7.060 2.846 94 HG21 VAL 10 3HG2 VAL 10 1.620 -4.723 5.698 95 HG22 VAL 10 1HG2 VAL 10 2.363 -3.422 4.764 96 HG23 VAL 10 2HG2 VAL 10 3.290 -4.876 5.143 97 H VAL 11 H VAL 11 2.154 -3.597 0.248 98 HA VAL 11 HA VAL 11 3.088 -0.949 1.166 99 HB VAL 11 HB VAL 11 2.193 -1.847 -1.620 100 HG11 VAL 11 1HG1 VAL 11 1.629 0.529 -1.268 101 HG12 VAL 11 2HG1 VAL 11 2.961 0.373 -2.410 102 HG13 VAL 11 3HG1 VAL 11 3.283 0.862 -0.745 103 HG21 VAL 11 3HG2 VAL 11 4.577 -1.564 -2.222 104 HG22 VAL 11 1HG2 VAL 11 4.370 -2.774 -0.951 105 HG23 VAL 11 2HG2 VAL 11 4.954 -1.158 -0.546 106 H THR 12 H THR 12 1.629 0.223 2.172 107 HA THR 12 HA THR 12 -1.247 -0.397 1.845 108 HB THR 12 HB THR 12 0.269 0.416 4.370 109 HG1 THR 12 HG1 THR 12 0.387 -1.664 4.832 110 HG21 THR 12 3HG2 THR 12 -2.100 1.143 4.421 111 HG22 THR 12 1HG2 THR 12 -1.801 -0.155 5.577 112 HG23 THR 12 2HG2 THR 12 -2.612 -0.504 4.051 113 H GLN 13 H GLN 13 -2.522 1.383 1.304 114 HA GLN 13 HA GLN 13 -1.509 4.100 1.912 115 HB2 GLN 13 2HB GLN 13 -3.815 3.264 0.094 116 HB3 GLN 13 3HB GLN 13 -3.329 4.926 0.420 117 HG2 GLN 13 2HG GLN 13 -1.074 4.378 -0.567 118 HG3 GLN 13 3HG GLN 13 -1.740 2.815 -1.048 119 HE21 GLN 13 1HE2 GLN 13 -3.451 2.794 -2.632 120 HE22 GLN 13 2HE2 GLN 13 -3.649 4.109 -3.733 121 H THR 14 H THR 14 -1.996 4.322 4.064 122 HA THR 14 HA THR 14 -4.601 3.679 5.157 123 HB THR 14 HB THR 14 -3.664 5.234 7.088 124 HG1 THR 14 HG1 THR 14 -1.654 5.903 6.896 125 HG21 THR 14 3HG2 THR 14 -3.721 2.788 7.306 126 HG22 THR 14 1HG2 THR 14 -2.229 3.443 7.980 127 HG23 THR 14 2HG2 THR 14 -2.213 2.657 6.401 128 H ILE 15 H ILE 15 -6.220 4.774 4.218 129 HA ILE 15 HA ILE 15 -5.848 7.574 3.402 130 HB ILE 15 HB ILE 15 -6.386 6.145 1.565 131 HG12 ILE 15 2HG1 ILE 15 -8.894 7.740 2.272 132 HG13 ILE 15 3HG1 ILE 15 -7.433 8.410 1.548 133 HG21 ILE 15 1HG2 ILE 15 -8.403 4.783 1.364 134 HG22 ILE 15 2HG2 ILE 15 -8.881 5.229 3.001 135 HG23 ILE 15 3HG2 ILE 15 -7.426 4.268 2.744 136 HD11 ILE 15 3HD1 ILE 15 -7.776 6.943 -0.397 137 HD12 ILE 15 1HD1 ILE 15 -9.096 8.081 -0.139 138 HD13 ILE 15 2HD1 ILE 15 -9.290 6.388 0.317 139 H HIS 16 H HIS 16 -7.113 9.143 4.036 140 HA HIS 16 HA HIS 16 -8.947 8.723 6.313 141 HB2 HIS 16 2HB HIS 16 -6.943 10.990 5.849 142 HB3 HIS 16 3HB HIS 16 -8.079 10.905 7.189 143 HD1 HIS 16 HD1 HIS 16 -7.000 10.146 9.278 144 HD2 HIS 16 HD2 HIS 16 -5.104 8.538 5.956 145 HE1 HIS 16 HE1 HIS 16 -5.078 8.804 10.180 146 HE2 HIS 16 HE2 HIS 16 -4.066 7.715 8.169 147 H TYR 17 H TYR 17 -10.687 10.082 6.401 148 HA TYR 17 HA TYR 17 -11.271 11.846 4.074 149 HB2 TYR 17 2HB TYR 17 -13.361 10.142 5.518 150 HB3 TYR 17 3HB TYR 17 -13.586 11.104 4.059 151 HD1 TYR 17 HD1 TYR 17 -12.234 10.373 1.935 152 HD2 TYR 17 HD2 TYR 17 -12.767 7.873 5.340 153 HE1 TYR 17 HE1 TYR 17 -11.630 8.401 0.587 154 HE2 TYR 17 HE2 TYR 17 -12.181 5.929 4.003 155 HH TYR 17 HH TYR 17 -10.816 6.130 0.907 156 H ARG 18 H ARG 18 -11.372 13.847 4.784 157 HA ARG 18 HA ARG 18 -12.863 14.504 7.240 158 HB2 ARG 18 2HB ARG 18 -10.078 15.585 6.576 159 HB3 ARG 18 3HB ARG 18 -11.135 16.236 7.827 160 HG2 ARG 18 2HG ARG 18 -11.078 13.985 8.956 161 HG3 ARG 18 3HG ARG 18 -9.869 13.480 7.777 162 HD2 ARG 18 2HD ARG 18 -9.608 15.706 9.812 163 HD3 ARG 18 3HD ARG 18 -8.779 14.149 9.834 164 HE ARG 18 HE ARG 18 -8.293 15.886 7.528 165 HH11 ARG 18 1HH1 ARG 18 -7.024 14.724 10.619 166 HH12 ARG 18 2HH1 ARG 18 -5.403 15.224 10.251 167 HH21 ARG 18 1HH2 ARG 18 -6.149 16.504 7.086 168 HH22 ARG 18 2HH2 ARG 18 -4.910 16.218 8.275 169 H TYR 19 H TYR 19 -13.741 16.612 7.202 170 HA TYR 19 HA TYR 19 -14.518 17.539 4.580 171 HB2 TYR 19 2HB TYR 19 -15.139 18.697 7.338 172 HB3 TYR 19 3HB TYR 19 -15.975 19.087 5.837 173 HD1 TYR 19 HD2 TYR 19 -15.480 16.466 8.421 174 HD2 TYR 19 HD1 TYR 19 -17.680 17.573 4.939 175 HE1 TYR 19 HE2 TYR 19 -17.080 14.662 8.868 176 HE2 TYR 19 HE1 TYR 19 -19.280 15.780 5.398 177 HH TYR 19 HH TYR 19 -19.378 14.062 8.336 178 H GLU 20 H GLU 20 -14.492 19.976 4.137 179 HA GLU 20 HA GLU 20 -11.830 21.019 4.197 180 HB2 GLU 20 2HB GLU 20 -12.752 23.018 3.090 181 HB3 GLU 20 3HB GLU 20 -13.352 21.547 2.332 182 HG2 GLU 20 2HG GLU 20 -15.541 21.855 3.111 183 HG3 GLU 20 3HG GLU 20 -15.035 22.889 4.448 184 H ASP 21 H ASP 21 -14.554 21.346 6.299 185 HA ASP 21 HA ASP 21 -13.706 23.668 7.758 186 HB2 ASP 21 2HB ASP 21 -16.071 22.847 7.643 187 HB3 ASP 21 3HB ASP 21 -15.612 21.429 8.581 188 H GLY 22 H GLY 22 -12.556 20.473 7.635 189 HA2 GLY 22 2HA GLY 22 -10.627 19.680 8.701 190 HA3 GLY 22 3HA GLY 22 -10.823 20.891 9.961 191 H ALA 23 H ALA 23 -13.801 19.502 9.527 192 HA ALA 23 HA ALA 23 -13.735 17.939 11.918 193 HB1 ALA 23 3HB ALA 23 -15.777 19.092 11.199 194 HB2 ALA 23 1HB ALA 23 -16.076 17.359 11.309 195 HB3 ALA 23 2HB ALA 23 -15.849 18.119 9.728 196 H VAL 24 H VAL 24 -13.863 15.675 12.137 197 HA VAL 24 HA VAL 24 -12.620 14.087 10.046 198 HB VAL 24 HB VAL 24 -13.613 13.325 12.838 199 HG11 VAL 24 1HG1 VAL 24 -13.588 11.339 11.386 200 HG12 VAL 24 2HG1 VAL 24 -12.302 11.243 12.585 201 HG13 VAL 24 3HG1 VAL 24 -11.918 11.674 10.917 202 HG21 VAL 24 3HG2 VAL 24 -11.746 14.952 12.850 203 HG22 VAL 24 1HG2 VAL 24 -10.773 13.853 11.865 204 HG23 VAL 24 2HG2 VAL 24 -11.247 13.391 13.503 205 H ALA 25 H ALA 25 -13.661 12.741 8.672 206 HA ALA 25 HA ALA 25 -16.535 12.100 9.096 207 HB1 ALA 25 3HB ALA 25 -14.816 11.789 6.595 208 HB2 ALA 25 1HB ALA 25 -15.988 13.075 6.899 209 HB3 ALA 25 2HB ALA 25 -16.536 11.406 6.724 210 H HIS 26 H HIS 26 -13.594 10.486 7.829 211 HA HIS 26 HA HIS 26 -13.806 8.204 9.606 212 HB2 HIS 26 2HB HIS 26 -14.365 7.863 6.614 213 HB3 HIS 26 3HB HIS 26 -13.840 6.525 7.634 214 HD1 HIS 26 HD1 HIS 26 -15.576 5.744 9.486 215 HD2 HIS 26 HD2 HIS 26 -17.081 8.450 6.721 216 HE1 HIS 26 HE1 HIS 26 -18.066 5.672 9.754 217 HE2 HIS 26 HE2 HIS 26 -18.924 7.454 8.219 218 H ASP 27 H ASP 27 -11.704 8.633 10.238 219 HA ASP 27 HA ASP 27 -9.529 8.987 8.336 220 HB2 ASP 27 2HB ASP 27 -9.626 8.756 11.360 221 HB3 ASP 27 3HB ASP 27 -8.101 8.858 10.488 222 H ASP 28 H ASP 28 -11.159 6.289 9.359 223 HA ASP 28 HA ASP 28 -8.845 4.489 9.321 224 HB2 ASP 28 2HB ASP 28 -10.057 4.523 11.467 225 HB3 ASP 28 3HB ASP 28 -11.562 4.153 10.637 226 H HIS 29 H HIS 29 -9.281 4.977 6.859 227 HA HIS 29 HA HIS 29 -10.395 2.341 6.038 228 HB2 HIS 29 2HB HIS 29 -10.578 4.998 4.642 229 HB3 HIS 29 3HB HIS 29 -10.120 3.643 3.619 230 HD1 HIS 29 HD1 HIS 29 -12.352 3.961 2.348 231 HD2 HIS 29 HD2 HIS 29 -12.819 2.897 6.338 232 HE1 HIS 29 HE1 HIS 29 -14.734 3.222 2.579 233 HE2 HIS 29 HE2 HIS 29 -14.903 2.371 4.924 234 H VAL 30 H VAL 30 -8.827 0.991 5.487 235 HA VAL 30 HA VAL 30 -6.128 2.037 4.857 236 HB VAL 30 HB VAL 30 -6.784 -0.135 6.946 237 HG11 VAL 30 1HG1 VAL 30 -4.377 -0.110 7.472 238 HG12 VAL 30 2HG1 VAL 30 -4.093 1.035 6.161 239 HG13 VAL 30 3HG1 VAL 30 -4.672 -0.594 5.801 240 HG21 VAL 30 3HG2 VAL 30 -5.714 2.678 7.458 241 HG22 VAL 30 1HG2 VAL 30 -5.983 1.431 8.679 242 HG23 VAL 30 2HG2 VAL 30 -7.356 2.133 7.813 243 H VAL 31 H VAL 31 -5.758 1.250 2.893 244 HA VAL 31 HA VAL 31 -6.568 -1.508 2.177 245 HB VAL 31 HB VAL 31 -7.481 0.188 0.653 246 HG11 VAL 31 1HG1 VAL 31 -6.075 1.612 -0.784 247 HG12 VAL 31 2HG1 VAL 31 -4.630 1.047 0.062 248 HG13 VAL 31 3HG1 VAL 31 -5.849 1.991 0.926 249 HG21 VAL 31 3HG2 VAL 31 -6.718 -0.733 -1.493 250 HG22 VAL 31 1HG2 VAL 31 -6.872 -2.012 -0.290 251 HG23 VAL 31 2HG2 VAL 31 -5.275 -1.396 -0.720 252 H SER 32 H SER 32 -4.993 -2.985 2.007 253 HA SER 32 HA SER 32 -2.161 -2.132 1.793 254 HB2 SER 32 2HB SER 32 -1.584 -4.058 3.279 255 HB3 SER 32 3HB SER 32 -2.601 -2.870 4.093 256 HG SER 32 HG SER 32 -3.056 -5.441 3.850 257 H LEU 33 H LEU 33 -1.065 -3.081 0.211 258 HA LEU 33 HA LEU 33 -2.188 -5.381 -1.253 259 HB2 LEU 33 2HB LEU 33 0.123 -3.501 -1.898 260 HB3 LEU 33 3HB LEU 33 -0.352 -4.869 -2.897 261 HG LEU 33 HG LEU 33 -1.986 -2.370 -2.357 262 HD11 LEU 33 1HD1 LEU 33 -0.143 -2.022 -3.902 263 HD12 LEU 33 2HD1 LEU 33 -1.680 -1.956 -4.756 264 HD13 LEU 33 3HD1 LEU 33 -0.666 -3.396 -4.881 265 HD21 LEU 33 3HD2 LEU 33 -3.653 -3.274 -3.928 266 HD22 LEU 33 1HD2 LEU 33 -3.503 -4.286 -2.493 267 HD23 LEU 33 2HD2 LEU 33 -2.764 -4.796 -4.012 268 H ILE 34 H ILE 34 -1.422 -7.303 -0.826 269 HA ILE 34 HA ILE 34 0.937 -7.682 0.868 270 HB ILE 34 HB ILE 34 -1.269 -9.640 0.012 271 HG12 ILE 34 2HG1 ILE 34 -1.719 -9.638 2.581 272 HG13 ILE 34 3HG1 ILE 34 -0.722 -8.196 2.651 273 HG21 ILE 34 1HG2 ILE 34 0.864 -10.845 0.275 274 HG22 ILE 34 2HG2 ILE 34 -0.255 -11.268 1.569 275 HG23 ILE 34 3HG2 ILE 34 1.070 -10.152 1.887 276 HD11 ILE 34 3HD1 ILE 34 -2.310 -7.033 1.196 277 HD12 ILE 34 1HD1 ILE 34 -3.091 -7.660 2.649 278 HD13 ILE 34 2HD1 ILE 34 -3.298 -8.492 1.109 279 H PHE 35 H PHE 35 2.799 -7.922 -0.197 280 HA PHE 35 HA PHE 35 2.940 -9.359 -2.793 281 HB2 PHE 35 2HB PHE 35 5.050 -7.604 -1.395 282 HB3 PHE 35 3HB PHE 35 5.225 -8.352 -2.976 283 HD1 PHE 35 HD1 PHE 35 2.984 -5.926 -1.160 284 HD2 PHE 35 HD2 PHE 35 4.803 -7.019 -4.861 285 HE1 PHE 35 HE1 PHE 35 2.164 -3.848 -2.179 286 HE2 PHE 35 HE2 PHE 35 3.970 -4.942 -5.873 287 HZ PHE 35 HZ PHE 35 2.652 -3.355 -4.537 288 H THR 36 H THR 36 2.922 -11.517 -2.023 289 HA THR 36 HA THR 36 5.191 -12.305 -0.263 290 HB THR 36 HB THR 36 2.624 -13.893 -0.743 291 HG1 THR 36 HG1 THR 36 1.928 -12.421 0.630 292 HG21 THR 36 3HG2 THR 36 4.578 -15.327 -0.196 293 HG22 THR 36 1HG2 THR 36 3.421 -15.292 1.136 294 HG23 THR 36 2HG2 THR 36 4.904 -14.342 1.233 295 H GLN 37 H GLN 37 6.833 -13.037 -1.445 296 HA GLN 37 HA GLN 37 6.277 -15.170 -3.405 297 HB2 GLN 37 2HB GLN 37 6.635 -12.804 -4.509 298 HB3 GLN 37 3HB GLN 37 8.324 -13.051 -4.130 299 HG2 GLN 37 2HG GLN 37 6.757 -15.051 -5.755 300 HG3 GLN 37 3HG GLN 37 7.500 -13.644 -6.491 301 HE21 GLN 37 1HE2 GLN 37 9.927 -13.824 -4.768 302 HE22 GLN 37 2HE2 GLN 37 10.819 -15.161 -5.385 303 H SER 38 H SER 38 8.204 -16.413 -3.905 304 HA SER 38 HA SER 38 9.160 -17.306 -1.357 305 HB2 SER 38 2HB SER 38 9.537 -18.502 -4.118 306 HB3 SER 38 3HB SER 38 9.849 -19.322 -2.581 307 HG SER 38 HG SER 38 7.611 -19.005 -2.093 308 H GLY 39 H GLY 39 11.303 -18.396 -1.353 309 HA2 GLY 39 2HA GLY 39 13.539 -17.536 -2.900 310 HA3 GLY 39 3HA GLY 39 13.533 -16.758 -1.313 311 H LYS 40 H LYS 40 15.621 -18.084 -1.183 312 HA LYS 40 HA LYS 40 14.963 -20.567 0.257 313 HB2 LYS 40 2HB LYS 40 16.643 -21.896 -0.837 314 HB3 LYS 40 3HB LYS 40 15.640 -21.198 -2.087 315 HG2 LYS 40 2HG LYS 40 17.699 -20.926 -3.064 316 HG3 LYS 40 3HG LYS 40 17.616 -19.396 -2.191 317 HD2 LYS 40 2HD LYS 40 19.034 -20.291 -0.407 318 HD3 LYS 40 3HD LYS 40 19.007 -21.896 -1.135 319 HE2 LYS 40 2HE LYS 40 20.238 -19.420 -2.382 320 HE3 LYS 40 3HE LYS 40 21.127 -20.712 -1.582 321 HZ1 LYS 40 3HZ LYS 40 20.304 -22.246 -3.280 322 HZ2 LYS 40 1HZ LYS 40 21.194 -20.975 -3.951 323 HZ3 LYS 40 2HZ LYS 40 19.511 -20.969 -4.057 324 H ARG 41 H ARG 41 16.226 -20.886 2.075 325 HA ARG 41 HA ARG 41 18.054 -18.669 2.785 326 HB2 ARG 41 2HB ARG 41 16.014 -18.739 4.173 327 HB3 ARG 41 3HB ARG 41 16.363 -20.399 4.636 328 HG2 ARG 41 2HG ARG 41 18.445 -19.621 5.764 329 HG3 ARG 41 3HG ARG 41 18.043 -17.960 5.322 330 HD2 ARG 41 2HD ARG 41 16.401 -19.773 7.120 331 HD3 ARG 41 3HD ARG 41 17.424 -18.433 7.648 332 HE ARG 41 HE ARG 41 15.538 -17.473 5.788 333 HH11 ARG 41 2HH1 ARG 41 15.568 -18.735 9.079 334 HH12 ARG 41 1HH1 ARG 41 14.171 -17.827 9.555 335 HH21 ARG 41 2HH2 ARG 41 13.750 -16.248 6.452 336 HH22 ARG 41 1HH2 ARG 41 13.140 -16.420 8.066 337 H ASP 42 H ASP 42 20.053 -19.188 2.988 338 HA ASP 42 HA ASP 42 21.161 -21.820 3.067 339 HB2 ASP 42 2HB ASP 42 22.271 -19.922 1.976 340 HB3 ASP 42 3HB ASP 42 22.318 -19.038 3.480 341 H LEU 43 H LEU 43 21.142 -23.028 4.884 342 HA LEU 43 HA LEU 43 20.736 -21.833 7.503 343 HB2 LEU 43 2HB LEU 43 20.744 -24.719 6.549 344 HB3 LEU 43 3HB LEU 43 20.492 -24.258 8.229 345 HG LEU 43 HG LEU 43 18.716 -23.433 5.895 346 HD11 LEU 43 1HD1 LEU 43 18.170 -25.392 8.147 347 HD12 LEU 43 2HD1 LEU 43 18.438 -25.792 6.448 348 HD13 LEU 43 3HD1 LEU 43 17.012 -24.871 6.918 349 HD21 LEU 43 3HD2 LEU 43 18.783 -21.667 7.562 350 HD22 LEU 43 1HD2 LEU 43 18.439 -22.820 8.857 351 HD23 LEU 43 2HD2 LEU 43 17.225 -22.483 7.622 352 H THR 44 H THR 44 23.563 -22.388 5.839 353 HA THR 44 HA THR 44 25.035 -23.342 8.206 354 HB THR 44 HB THR 44 25.787 -24.332 6.128 355 HG1 THR 44 HG1 THR 44 27.767 -22.567 7.185 356 HG21 THR 44 3HG2 THR 44 25.322 -22.581 4.515 357 HG22 THR 44 1HG2 THR 44 27.017 -23.070 4.414 358 HG23 THR 44 2HG2 THR 44 26.583 -21.558 5.218 359 H ASN 45 H ASN 45 24.494 -20.311 6.435 360 HA ASN 45 HA ASN 45 25.997 -18.863 8.563 361 HB2 ASN 45 2HB ASN 45 24.859 -17.768 5.934 362 HB3 ASN 45 3HB ASN 45 25.793 -16.854 7.110 363 HD21 ASN 45 1HD2 ASN 45 25.924 -18.852 4.383 364 HD22 ASN 45 2HD2 ASN 45 27.628 -18.987 4.274 365 H GLY 46 H GLY 46 22.833 -19.439 7.154 366 HA2 GLY 46 2HA GLY 46 20.748 -19.067 8.227 367 HA3 GLY 46 3HA GLY 46 21.493 -17.892 9.301 368 H LYS 47 H LYS 47 22.362 -17.622 6.001 369 HA LYS 47 HA LYS 47 21.166 -14.973 5.854 370 HB2 LYS 47 2HB LYS 47 22.657 -14.658 3.925 371 HB3 LYS 47 3HB LYS 47 23.569 -15.340 5.267 372 HG2 LYS 47 2HG LYS 47 23.348 -17.579 4.202 373 HG3 LYS 47 3HG LYS 47 22.597 -16.804 2.811 374 HD2 LYS 47 2HD LYS 47 25.421 -16.295 3.821 375 HD3 LYS 47 3HD LYS 47 24.989 -17.300 2.444 376 HE2 LYS 47 2HE LYS 47 25.699 -15.276 1.481 377 HE3 LYS 47 3HE LYS 47 23.942 -15.163 1.433 378 HZ1 LYS 47 3HZ LYS 47 25.036 -13.103 2.162 379 HZ2 LYS 47 1HZ LYS 47 25.673 -13.909 3.506 380 HZ3 LYS 47 2HZ LYS 47 24.001 -13.715 3.350 381 H GLU 48 H GLU 48 19.722 -14.286 4.186 382 HA GLU 48 HA GLU 48 18.127 -16.453 2.939 383 HB2 GLU 48 2HB GLU 48 17.422 -13.553 3.563 384 HB3 GLU 48 3HB GLU 48 16.348 -14.682 2.737 385 HG2 GLU 48 2HG GLU 48 16.418 -16.163 4.748 386 HG3 GLU 48 3HG GLU 48 17.399 -14.956 5.558 387 H ILE 49 H ILE 49 18.300 -16.750 0.846 388 HA ILE 49 HA ILE 49 19.616 -14.754 -0.887 389 HB ILE 49 HB ILE 49 19.242 -17.765 -1.321 390 HG12 ILE 49 2HG1 ILE 49 21.839 -17.677 -1.391 391 HG13 ILE 49 3HG1 ILE 49 21.700 -16.072 -0.691 392 HG21 ILE 49 1HG2 ILE 49 20.509 -15.718 -3.190 393 HG22 ILE 49 2HG2 ILE 49 19.022 -16.624 -3.481 394 HG23 ILE 49 3HG2 ILE 49 20.568 -17.468 -3.414 395 HD11 ILE 49 3HD1 ILE 49 20.606 -17.039 1.275 396 HD12 ILE 49 1HD1 ILE 49 22.199 -17.738 0.991 397 HD13 ILE 49 2HD1 ILE 49 20.750 -18.647 0.559 398 H TRP 50 H TRP 50 18.253 -13.566 -1.989 399 HA TRP 50 HA TRP 50 15.639 -14.589 -2.912 400 HB2 TRP 50 2HB TRP 50 16.589 -11.696 -2.597 401 HB3 TRP 50 3HB TRP 50 14.954 -12.231 -2.983 402 HD1 TRP 50 HD1 TRP 50 17.147 -11.394 -0.079 403 HE1 TRP 50 HE1 TRP 50 15.969 -11.950 2.128 404 HE3 TRP 50 HE3 TRP 50 13.207 -14.123 -1.892 405 HZ2 TRP 50 HZ2 TRP 50 13.683 -13.319 3.005 406 HZ3 TRP 50 HZ3 TRP 50 11.566 -15.024 -0.294 407 HH2 TRP 50 HH2 TRP 50 11.803 -14.627 2.104 408 H ASP 51 H ASP 51 14.995 -13.835 -5.080 409 HA ASP 51 HA ASP 51 17.162 -14.196 -6.987 410 HB2 ASP 51 2HB ASP 51 14.953 -15.401 -7.168 411 HB3 ASP 51 3HB ASP 51 14.153 -13.861 -7.460 412 H SER 52 H SER 52 18.114 -12.532 -8.067 413 HA SER 52 HA SER 52 17.509 -9.836 -7.298 414 HB2 SER 52 2HB SER 52 19.469 -9.287 -8.842 415 HB3 SER 52 3HB SER 52 19.816 -10.403 -7.524 416 HG SER 52 HG SER 52 20.665 -11.074 -9.574 417 H LYS 53 H LYS 53 16.709 -11.799 -10.072 418 HA LYS 53 HA LYS 53 15.861 -9.586 -11.767 419 HB2 LYS 53 2HB LYS 53 15.266 -12.577 -12.036 420 HB3 LYS 53 3HB LYS 53 15.071 -11.359 -13.295 421 HG2 LYS 53 2HG LYS 53 17.513 -11.020 -13.364 422 HG3 LYS 53 3HG LYS 53 17.715 -12.195 -12.063 423 HD2 LYS 53 2HD LYS 53 16.712 -13.955 -13.557 424 HD3 LYS 53 3HD LYS 53 16.656 -12.763 -14.859 425 HE2 LYS 53 2HE LYS 53 18.622 -14.177 -15.125 426 HE3 LYS 53 3HE LYS 53 19.143 -12.540 -14.713 427 HZ1 LYS 53 3HZ LYS 53 20.380 -14.166 -13.455 428 HZ2 LYS 53 1HZ LYS 53 18.957 -14.846 -12.844 429 HZ3 LYS 53 2HZ LYS 53 19.400 -13.277 -12.403 430 H TRP 54 H TRP 54 14.559 -11.259 -9.113 431 HA TRP 54 HA TRP 54 11.787 -11.341 -9.763 432 HB2 TRP 54 2HB TRP 54 12.468 -12.846 -8.091 433 HB3 TRP 54 3HB TRP 54 13.431 -11.653 -7.254 434 HD1 TRP 54 HD1 TRP 54 9.555 -11.710 -7.922 435 HE1 TRP 54 HE1 TRP 54 8.411 -11.461 -5.634 436 HE3 TRP 54 HE3 TRP 54 13.703 -11.552 -4.925 437 HZ2 TRP 54 HZ2 TRP 54 9.151 -11.215 -2.940 438 HZ3 TRP 54 HZ3 TRP 54 13.391 -11.320 -2.496 439 HH2 TRP 54 HH2 TRP 54 11.160 -11.153 -1.523 440 H SER 55 H SER 55 10.267 -9.905 -9.606 441 HA SER 55 HA SER 55 10.280 -7.661 -7.775 442 HB2 SER 55 2HB SER 55 9.609 -6.054 -9.607 443 HB3 SER 55 3HB SER 55 11.275 -6.605 -9.751 444 HG SER 55 HG SER 55 9.510 -8.208 -11.106 445 H LEU 56 H LEU 56 8.314 -7.697 -6.853 446 HA LEU 56 HA LEU 56 6.157 -9.281 -8.118 447 HB2 LEU 56 2HB LEU 56 7.188 -9.624 -5.652 448 HB3 LEU 56 3HB LEU 56 6.087 -8.329 -5.227 449 HG LEU 56 HG LEU 56 5.156 -10.582 -4.729 450 HD11 LEU 56 1HD1 LEU 56 3.545 -8.796 -5.177 451 HD12 LEU 56 2HD1 LEU 56 2.928 -10.349 -5.729 452 HD13 LEU 56 3HD1 LEU 56 3.556 -9.183 -6.900 453 HD21 LEU 56 3HD2 LEU 56 4.530 -12.152 -6.506 454 HD22 LEU 56 1HD2 LEU 56 6.265 -11.847 -6.522 455 HD23 LEU 56 2HD2 LEU 56 5.227 -11.082 -7.726 456 H THR 57 H THR 57 4.503 -8.128 -9.018 457 HA THR 57 HA THR 57 4.044 -5.325 -8.162 458 HB THR 57 HB THR 57 3.166 -6.662 -10.769 459 HG1 THR 57 HG1 THR 57 5.009 -4.675 -11.014 460 HG21 THR 57 3HG2 THR 57 1.712 -4.762 -10.129 461 HG22 THR 57 1HG2 THR 57 2.695 -4.358 -11.535 462 HG23 THR 57 2HG2 THR 57 3.132 -3.728 -9.945 463 H GLN 58 H GLN 58 2.213 -4.897 -7.120 464 HA GLN 58 HA GLN 58 -0.169 -6.627 -7.462 465 HB2 GLN 58 2HB GLN 58 1.168 -6.804 -5.158 466 HB3 GLN 58 3HB GLN 58 0.424 -5.251 -4.809 467 HG2 GLN 58 2HG GLN 58 -0.936 -6.929 -3.806 468 HG3 GLN 58 3HG GLN 58 -1.824 -6.338 -5.210 469 HE21 GLN 58 1HE2 GLN 58 0.899 -8.635 -5.275 470 HE22 GLN 58 2HE2 GLN 58 -0.027 -9.975 -5.843 471 H THR 59 H THR 59 -2.161 -5.383 -7.421 472 HA THR 59 HA THR 59 -1.711 -2.548 -8.180 473 HB THR 59 HB THR 59 -3.907 -4.438 -9.161 474 HG1 THR 59 HG1 THR 59 -1.779 -5.097 -9.808 475 HG21 THR 59 3HG2 THR 59 -2.954 -1.745 -10.225 476 HG22 THR 59 1HG2 THR 59 -4.481 -2.040 -9.396 477 HG23 THR 59 2HG2 THR 59 -4.181 -2.772 -10.973 478 H PHE 60 H PHE 60 -2.498 -1.161 -6.646 479 HA PHE 60 HA PHE 60 -4.738 -1.550 -4.944 480 HB2 PHE 60 2HB PHE 60 -3.413 0.980 -6.011 481 HB3 PHE 60 3HB PHE 60 -4.823 1.057 -4.968 482 HD1 PHE 60 HD2 PHE 60 -4.606 -0.234 -2.669 483 HD2 PHE 60 HD1 PHE 60 -1.292 1.104 -5.010 484 HE1 PHE 60 HE2 PHE 60 -3.177 -0.246 -0.667 485 HE2 PHE 60 HE1 PHE 60 0.126 1.095 -3.001 486 HZ PHE 60 HZ PHE 60 -0.815 0.420 -0.834 487 H GLU 61 H GLU 61 -6.881 -1.289 -5.326 488 HA GLU 61 HA GLU 61 -8.049 0.288 -7.381 489 HB2 GLU 61 2HB GLU 61 -9.134 -1.604 -8.672 490 HB3 GLU 61 3HB GLU 61 -7.394 -1.470 -8.918 491 HG2 GLU 61 2HG GLU 61 -7.045 -3.317 -7.270 492 HG3 GLU 61 3HG GLU 61 -8.800 -3.486 -7.137 493 H ALA 62 H ALA 62 -8.414 -2.449 -5.178 494 HA ALA 62 HA ALA 62 -11.231 -1.997 -4.715 495 HB1 ALA 62 3HB ALA 62 -10.296 -4.270 -4.638 496 HB2 ALA 62 1HB ALA 62 -11.005 -3.838 -3.080 497 HB3 ALA 62 2HB ALA 62 -9.252 -3.820 -3.290 498 H LEU 63 H LEU 63 -11.232 0.188 -4.038 499 HA LEU 63 HA LEU 63 -10.714 0.561 -1.181 500 HB2 LEU 63 2HB LEU 63 -8.713 1.450 -2.462 501 HB3 LEU 63 3HB LEU 63 -9.776 2.601 -3.246 502 HG LEU 63 HG LEU 63 -8.365 3.512 -1.319 503 HD11 LEU 63 1HD1 LEU 63 -10.294 4.780 -2.096 504 HD12 LEU 63 2HD1 LEU 63 -10.088 4.942 -0.354 505 HD13 LEU 63 3HD1 LEU 63 -11.353 3.884 -0.997 506 HD21 LEU 63 3HD2 LEU 63 -9.025 3.080 0.964 507 HD22 LEU 63 1HD2 LEU 63 -8.587 1.571 0.173 508 HD23 LEU 63 2HD2 LEU 63 -10.286 1.965 0.437 509 HA PRO 64 HA PRO 64 -14.767 2.547 -2.055 510 HB2 PRO 64 2HB PRO 64 -16.050 1.765 0.163 511 HB3 PRO 64 3HB PRO 64 -15.611 0.553 -1.064 512 HG2 PRO 64 2HG PRO 64 -14.289 1.141 1.558 513 HG3 PRO 64 3HG PRO 64 -14.563 -0.413 0.762 514 HD2 PRO 64 2HD PRO 64 -12.164 1.076 0.680 515 HD3 PRO 64 3HD PRO 64 -12.578 -0.305 -0.368 516 H SER 65 H SER 65 -16.138 4.051 -0.491 517 HA SER 65 HA SER 65 -14.609 5.597 1.426 518 HB2 SER 65 2HB SER 65 -13.712 6.400 -0.760 519 HB3 SER 65 3HB SER 65 -15.341 6.815 -1.283 520 HG SER 65 HG SER 65 -14.510 8.655 -0.527 521 HA PRO 66 HA PRO 66 -18.875 6.610 2.618 522 HB2 PRO 66 2HB PRO 66 -18.458 8.866 4.134 523 HB3 PRO 66 3HB PRO 66 -18.016 7.246 4.712 524 HG2 PRO 66 2HG PRO 66 -16.254 9.338 3.467 525 HG3 PRO 66 3HG PRO 66 -15.964 8.342 4.917 526 HD2 PRO 66 2HD PRO 66 -14.891 7.699 2.519 527 HD3 PRO 66 3HD PRO 66 -15.405 6.451 3.673 528 H VAL 67 H VAL 67 -20.179 7.348 1.017 529 HA VAL 67 HA VAL 67 -19.584 9.662 -0.599 530 HB VAL 67 HB VAL 67 -22.165 8.027 -0.413 531 HG11 VAL 67 1HG1 VAL 67 -22.597 10.277 -1.314 532 HG12 VAL 67 2HG1 VAL 67 -22.773 9.065 -2.580 533 HG13 VAL 67 3HG1 VAL 67 -21.322 10.067 -2.516 534 HG21 VAL 67 3HG2 VAL 67 -19.881 7.838 -2.424 535 HG22 VAL 67 1HG2 VAL 67 -21.390 6.922 -2.497 536 HG23 VAL 67 2HG2 VAL 67 -20.261 6.658 -1.168 537 H ILE 68 H ILE 68 -19.720 11.619 0.318 538 HA ILE 68 HA ILE 68 -21.639 12.088 2.516 539 HB ILE 68 HB ILE 68 -19.148 13.693 1.751 540 HG12 ILE 68 2HG1 ILE 68 -19.598 11.649 3.985 541 HG13 ILE 68 3HG1 ILE 68 -18.513 11.474 2.613 542 HG21 ILE 68 1HG2 ILE 68 -20.963 13.912 4.184 543 HG22 ILE 68 2HG2 ILE 68 -20.876 15.068 2.851 544 HG23 ILE 68 3HG2 ILE 68 -19.487 14.837 3.907 545 HD11 ILE 68 3HD1 ILE 68 -17.305 11.965 4.643 546 HD12 ILE 68 1HD1 ILE 68 -18.210 13.466 4.855 547 HD13 ILE 68 2HD1 ILE 68 -17.118 13.275 3.479 548 H ILE 69 H ILE 69 -23.427 13.151 2.011 549 HA ILE 69 HA ILE 69 -23.773 14.482 -0.542 550 HB ILE 69 HB ILE 69 -25.726 14.092 1.782 551 HG12 ILE 69 2HG1 ILE 69 -25.036 11.929 0.812 552 HG13 ILE 69 3HG1 ILE 69 -26.716 12.262 0.419 553 HG21 ILE 69 1HG2 ILE 69 -26.340 14.991 -1.057 554 HG22 ILE 69 2HG2 ILE 69 -26.425 15.996 0.391 555 HG23 ILE 69 3HG2 ILE 69 -27.533 14.638 0.196 556 HD11 ILE 69 3HD1 ILE 69 -25.589 11.277 -1.472 557 HD12 ILE 69 1HD1 ILE 69 -24.350 12.532 -1.444 558 HD13 ILE 69 2HD1 ILE 69 -26.015 12.943 -1.859 559 H GLY 70 H GLY 70 -24.106 16.667 -0.833 560 HA2 GLY 70 2HA GLY 70 -24.075 18.936 -0.375 561 HA3 GLY 70 3HA GLY 70 -23.979 18.584 1.344 562 H TYR 71 H TYR 71 -21.696 16.730 -0.193 563 HA TYR 71 HA TYR 71 -19.581 18.778 -0.241 564 HB2 TYR 71 2HB TYR 71 -19.437 16.151 1.308 565 HB3 TYR 71 3HB TYR 71 -18.030 17.146 0.933 566 HD1 TYR 71 HD2 TYR 71 -21.141 16.976 2.920 567 HD2 TYR 71 HD1 TYR 71 -17.603 19.229 2.155 568 HE1 TYR 71 HE2 TYR 71 -21.557 18.296 4.921 569 HE2 TYR 71 HE1 TYR 71 -18.028 20.575 4.170 570 HH TYR 71 HH TYR 71 -20.251 19.656 6.541 571 H THR 72 H THR 72 -17.521 17.714 -1.074 572 HA THR 72 HA THR 72 -17.749 15.654 -3.060 573 HB THR 72 HB THR 72 -17.395 18.573 -3.966 574 HG1 THR 72 HG1 THR 72 -19.506 16.733 -4.104 575 HG21 THR 72 3HG2 THR 72 -17.245 16.033 -5.642 576 HG22 THR 72 1HG2 THR 72 -15.882 17.078 -5.246 577 HG23 THR 72 2HG2 THR 72 -17.192 17.684 -6.263 578 H ALA 73 H ALA 73 -15.920 14.650 -2.481 579 HA ALA 73 HA ALA 73 -13.640 15.860 -1.284 580 HB1 ALA 73 3HB ALA 73 -12.627 13.618 -1.500 581 HB2 ALA 73 1HB ALA 73 -13.976 13.111 -2.519 582 HB3 ALA 73 2HB ALA 73 -14.255 13.540 -0.831 583 H ASP 74 H ASP 74 -11.552 16.080 -2.103 584 HA ASP 74 HA ASP 74 -11.306 16.908 -4.848 585 HB2 ASP 74 2HB ASP 74 -9.048 17.552 -4.263 586 HB3 ASP 74 3HB ASP 74 -10.120 18.025 -2.955 587 H LYS 75 H LYS 75 -10.599 13.986 -3.048 588 HA LYS 75 HA LYS 75 -10.935 12.635 -5.575 589 HB2 LYS 75 2HB LYS 75 -9.148 10.937 -5.197 590 HB3 LYS 75 3HB LYS 75 -8.519 12.530 -5.550 591 HG2 LYS 75 2HG LYS 75 -8.701 11.500 -2.707 592 HG3 LYS 75 3HG LYS 75 -7.336 11.110 -3.745 593 HD2 LYS 75 2HD LYS 75 -8.203 13.901 -2.934 594 HD3 LYS 75 3HD LYS 75 -6.845 13.001 -2.258 595 HE2 LYS 75 2HE LYS 75 -5.772 12.974 -4.500 596 HE3 LYS 75 3HE LYS 75 -7.112 13.935 -5.133 597 HZ1 LYS 75 3HZ LYS 75 -5.327 14.806 -2.931 598 HZ2 LYS 75 1HZ LYS 75 -6.514 15.731 -3.694 599 HZ3 LYS 75 2HZ LYS 75 -5.136 15.256 -4.546 600 HA PRO 76 HA PRO 76 -13.604 10.767 -2.333 601 HB2 PRO 76 2HB PRO 76 -15.492 9.735 -4.052 602 HB3 PRO 76 3HB PRO 76 -15.489 11.433 -3.540 603 HG2 PRO 76 2HG PRO 76 -14.446 10.236 -6.084 604 HG3 PRO 76 3HG PRO 76 -15.407 11.713 -5.849 605 HD2 PRO 76 2HD PRO 76 -12.717 11.795 -6.233 606 HD3 PRO 76 3HD PRO 76 -13.561 12.976 -5.200 607 H MET 77 H MET 77 -11.566 9.427 -4.631 608 HA MET 77 HA MET 77 -11.496 6.918 -3.152 609 HB2 MET 77 2HB MET 77 -13.030 6.554 -5.109 610 HB3 MET 77 3HB MET 77 -11.734 7.018 -6.198 611 HG2 MET 77 2HG MET 77 -10.429 5.061 -5.451 612 HG3 MET 77 3HG MET 77 -11.764 4.590 -4.389 613 HE1 MET 77 3HE MET 77 -10.692 2.491 -6.456 614 HE2 MET 77 1HE MET 77 -12.179 1.926 -7.219 615 HE3 MET 77 2HE MET 77 -12.133 2.197 -5.478 616 H VAL 78 H VAL 78 -9.352 6.410 -2.760 617 HA VAL 78 HA VAL 78 -7.337 7.091 -4.842 618 HB VAL 78 HB VAL 78 -6.772 6.681 -1.857 619 HG11 VAL 78 1HG1 VAL 78 -4.934 5.837 -3.212 620 HG12 VAL 78 2HG1 VAL 78 -4.439 7.337 -2.429 621 HG13 VAL 78 3HG1 VAL 78 -4.874 7.340 -4.138 622 HG21 VAL 78 3HG2 VAL 78 -7.816 8.867 -2.237 623 HG22 VAL 78 1HG2 VAL 78 -6.629 9.242 -3.488 624 HG23 VAL 78 2HG2 VAL 78 -6.116 9.065 -1.808 625 H GLY 79 H GLY 79 -7.021 5.276 -5.996 626 HA2 GLY 79 2HA GLY 79 -6.503 2.702 -4.740 627 HA3 GLY 79 3HA GLY 79 -7.995 2.788 -5.669 628 HA PRO 80 HA PRO 80 -6.370 1.249 -9.377 629 HB2 PRO 80 2HB PRO 80 -7.123 3.940 -10.593 630 HB3 PRO 80 3HB PRO 80 -7.339 2.309 -11.273 631 HG2 PRO 80 2HG PRO 80 -9.381 3.492 -10.079 632 HG3 PRO 80 3HG PRO 80 -9.067 1.762 -9.798 633 HD2 PRO 80 2HD PRO 80 -8.638 4.067 -7.945 634 HD3 PRO 80 3HD PRO 80 -8.964 2.363 -7.570 635 H ASP 81 H ASP 81 -4.216 1.062 -8.849 636 HA ASP 81 HA ASP 81 -2.299 2.490 -10.416 637 HB2 ASP 81 2HB ASP 81 -2.552 4.118 -8.542 638 HB3 ASP 81 3HB ASP 81 -2.198 2.854 -7.374 639 H GLU 82 H GLU 82 -0.864 0.956 -10.955 640 HA GLU 82 HA GLU 82 -0.520 -1.517 -9.451 641 HB2 GLU 82 2HB GLU 82 0.963 -0.472 -11.911 642 HB3 GLU 82 3HB GLU 82 1.107 -2.104 -11.253 643 HG2 GLU 82 2HG GLU 82 -1.207 -2.597 -11.832 644 HG3 GLU 82 3HG GLU 82 -1.467 -0.927 -12.344 645 H VAL 83 H VAL 83 0.850 -1.604 -7.742 646 HA VAL 83 HA VAL 83 3.296 0.062 -7.640 647 HB VAL 83 HB VAL 83 1.943 -1.600 -5.436 648 HG11 VAL 83 1HG1 VAL 83 4.392 -1.620 -5.133 649 HG12 VAL 83 2HG1 VAL 83 3.626 -0.628 -3.895 650 HG13 VAL 83 3HG1 VAL 83 4.444 0.141 -5.256 651 HG21 VAL 83 3HG2 VAL 83 2.212 1.413 -5.761 652 HG22 VAL 83 1HG2 VAL 83 1.485 0.587 -4.378 653 HG23 VAL 83 2HG2 VAL 83 0.731 0.474 -5.970 654 H THR 84 H THR 84 5.131 -0.901 -8.320 655 HA THR 84 HA THR 84 5.493 -3.827 -8.119 656 HB THR 84 HB THR 84 7.202 -1.754 -9.599 657 HG1 THR 84 HG1 THR 84 5.034 -2.141 -10.466 658 HG21 THR 84 3HG2 THR 84 8.267 -3.685 -10.687 659 HG22 THR 84 1HG2 THR 84 7.249 -4.801 -9.763 660 HG23 THR 84 2HG2 THR 84 8.460 -3.815 -8.941 661 H VAL 85 H VAL 85 6.771 -4.570 -6.525 662 HA VAL 85 HA VAL 85 8.842 -2.838 -5.301 663 HB VAL 85 HB VAL 85 7.382 -5.177 -3.945 664 HG11 VAL 85 1HG1 VAL 85 9.315 -3.120 -2.798 665 HG12 VAL 85 2HG1 VAL 85 9.665 -4.827 -3.093 666 HG13 VAL 85 3HG1 VAL 85 8.471 -4.371 -1.880 667 HG21 VAL 85 3HG2 VAL 85 6.970 -2.195 -3.492 668 HG22 VAL 85 1HG2 VAL 85 6.219 -3.498 -2.564 669 HG23 VAL 85 2HG2 VAL 85 5.828 -3.290 -4.272 670 H ASP 86 H ASP 86 10.751 -3.463 -6.062 671 HA ASP 86 HA ASP 86 11.268 -6.058 -7.271 672 HB2 ASP 86 2HB ASP 86 13.181 -3.733 -6.713 673 HB3 ASP 86 3HB ASP 86 13.530 -5.131 -7.727 674 H SER 87 H SER 87 13.132 -7.385 -6.556 675 HA SER 87 HA SER 87 13.451 -7.999 -3.860 676 HB2 SER 87 2HB SER 87 15.656 -9.053 -4.640 677 HB3 SER 87 3HB SER 87 14.227 -9.544 -5.550 678 HG SER 87 HG SER 87 15.089 -8.722 -7.280 679 H LYS 88 H LYS 88 15.127 -5.697 -5.894 680 HA LYS 88 HA LYS 88 17.225 -4.709 -4.457 681 HB2 LYS 88 2HB LYS 88 15.183 -3.091 -6.049 682 HB3 LYS 88 3HB LYS 88 16.807 -2.541 -5.628 683 HG2 LYS 88 2HG LYS 88 17.797 -4.301 -7.013 684 HG3 LYS 88 3HG LYS 88 16.196 -4.948 -7.369 685 HD2 LYS 88 2HD LYS 88 16.898 -3.684 -9.286 686 HD3 LYS 88 3HD LYS 88 15.622 -2.765 -8.489 687 HE2 LYS 88 2HE LYS 88 18.585 -2.201 -8.141 688 HE3 LYS 88 3HE LYS 88 17.562 -1.391 -9.321 689 HZ1 LYS 88 3HZ LYS 88 17.746 0.006 -7.437 690 HZ2 LYS 88 1HZ LYS 88 17.357 -1.240 -6.365 691 HZ3 LYS 88 2HZ LYS 88 16.177 -0.624 -7.410 692 H ASN 89 H ASN 89 13.816 -3.683 -4.142 693 HA ASN 89 HA ASN 89 14.435 -2.335 -1.579 694 HB2 ASN 89 2HB ASN 89 12.715 -0.659 -2.071 695 HB3 ASN 89 3HB ASN 89 13.927 -0.667 -3.343 696 HD21 ASN 89 1HD2 ASN 89 11.102 0.229 -3.305 697 HD22 ASN 89 2HD2 ASN 89 10.362 -0.570 -4.641 698 H PHE 90 H PHE 90 13.454 -5.153 -2.188 699 HA PHE 90 HA PHE 90 10.704 -5.214 -1.341 700 HB2 PHE 90 2HB PHE 90 11.965 -6.996 -2.768 701 HB3 PHE 90 3HB PHE 90 12.530 -7.650 -1.237 702 HD1 PHE 90 HD1 PHE 90 9.600 -7.169 -3.446 703 HD2 PHE 90 HD2 PHE 90 10.910 -8.684 0.332 704 HE1 PHE 90 HE1 PHE 90 7.457 -8.360 -3.169 705 HE2 PHE 90 HE2 PHE 90 8.778 -9.861 0.603 706 HZ PHE 90 HZ PHE 90 7.053 -9.716 -1.154 707 H LEU 91 H LEU 91 13.697 -5.060 0.294 708 HA LEU 91 HA LEU 91 12.607 -5.862 2.899 709 HB2 LEU 91 2HB LEU 91 15.389 -4.854 2.155 710 HB3 LEU 91 3HB LEU 91 14.905 -5.440 3.733 711 HG LEU 91 HG LEU 91 16.182 -7.192 2.705 712 HD11 LEU 91 1HD1 LEU 91 13.256 -7.929 2.521 713 HD12 LEU 91 2HD1 LEU 91 14.269 -7.971 3.964 714 HD13 LEU 91 3HD1 LEU 91 14.608 -9.064 2.626 715 HD21 LEU 91 3HD2 LEU 91 14.369 -7.094 0.258 716 HD22 LEU 91 1HD2 LEU 91 15.707 -8.217 0.531 717 HD23 LEU 91 2HD2 LEU 91 16.030 -6.497 0.334 718 H ASP 92 H ASP 92 13.095 -3.080 0.939 719 HA ASP 92 HA ASP 92 12.539 -1.138 3.054 720 HB2 ASP 92 2HB ASP 92 12.739 -0.815 0.015 721 HB3 ASP 92 3HB ASP 92 12.466 0.511 1.140 722 H LYS 93 H LYS 93 10.625 0.227 2.901 723 HA LYS 93 HA LYS 93 8.258 -1.039 1.640 724 HB2 LYS 93 2HB LYS 93 6.922 0.155 3.370 725 HB3 LYS 93 3HB LYS 93 8.069 -0.975 4.076 726 HG2 LYS 93 2HG LYS 93 9.586 0.905 4.620 727 HG3 LYS 93 3HG LYS 93 8.426 2.037 3.914 728 HD2 LYS 93 2HD LYS 93 8.242 1.979 6.381 729 HD3 LYS 93 3HD LYS 93 6.753 1.423 5.613 730 HE2 LYS 93 2HE LYS 93 7.365 -0.911 6.055 731 HE3 LYS 93 3HE LYS 93 8.905 -0.404 6.752 732 HZ1 LYS 93 3HZ LYS 93 7.701 0.741 8.501 733 HZ2 LYS 93 1HZ LYS 93 7.259 -0.889 8.455 734 HZ3 LYS 93 2HZ LYS 93 6.222 0.282 7.832 735 H GLN 94 H GLN 94 6.651 0.464 0.771 736 HA GLN 94 HA GLN 94 7.516 3.211 0.194 737 HB2 GLN 94 2HB GLN 94 7.109 2.973 -2.233 738 HB3 GLN 94 3HB GLN 94 8.400 1.907 -1.698 739 HG2 GLN 94 2HG GLN 94 6.802 -0.002 -1.726 740 HG3 GLN 94 3HG GLN 94 5.552 1.075 -2.338 741 HE21 GLN 94 1HE2 GLN 94 8.461 -0.646 -3.137 742 HE22 GLN 94 2HE2 GLN 94 8.393 -0.385 -4.840 743 H ASN 95 H ASN 95 5.567 2.077 1.914 744 HA ASN 95 HA ASN 95 2.907 2.277 0.927 745 HB2 ASN 95 2HB ASN 95 2.227 2.272 3.289 746 HB3 ASN 95 3HB ASN 95 3.486 1.071 3.024 747 HD21 ASN 95 1HD2 ASN 95 2.547 2.759 5.409 748 HD22 ASN 95 2HD2 ASN 95 4.018 3.383 6.066 749 H ARG 96 H ARG 96 1.314 3.907 1.787 750 HA ARG 96 HA ARG 96 2.357 6.643 2.133 751 HB2 ARG 96 2HB ARG 96 0.421 5.683 -0.013 752 HB3 ARG 96 3HB ARG 96 0.403 7.354 0.530 753 HG2 ARG 96 2HG ARG 96 2.818 5.968 -0.663 754 HG3 ARG 96 3HG ARG 96 1.710 7.016 -1.543 755 HD2 ARG 96 2HD ARG 96 3.438 7.861 0.809 756 HD3 ARG 96 3HD ARG 96 3.747 8.224 -0.894 757 HE ARG 96 HE ARG 96 1.198 9.162 -0.387 758 HH11 ARG 96 2HH1 ARG 96 4.420 9.879 0.864 759 HH12 ARG 96 1HH1 ARG 96 4.036 11.533 1.223 760 HH21 ARG 96 2HH2 ARG 96 0.728 11.336 0.050 761 HH22 ARG 96 1HH2 ARG 96 1.938 12.359 0.760 762 H GLU 97 H GLU 97 0.699 8.173 2.840 763 HA GLU 97 HA GLU 97 -1.656 6.995 4.197 764 HB2 GLU 97 2HB GLU 97 0.179 7.605 5.851 765 HB3 GLU 97 3HB GLU 97 0.057 9.278 5.315 766 HG2 GLU 97 2HG GLU 97 -2.496 9.005 5.960 767 HG3 GLU 97 3HG GLU 97 -1.929 7.635 6.896 768 H GLU 98 H GLU 98 -3.326 7.752 2.997 769 HA GLU 98 HA GLU 98 -3.132 10.336 1.614 770 HB2 GLU 98 2HB GLU 98 -5.281 8.180 1.412 771 HB3 GLU 98 3HB GLU 98 -5.052 9.539 0.318 772 HG2 GLU 98 2HG GLU 98 -3.178 7.189 0.698 773 HG3 GLU 98 3HG GLU 98 -4.211 7.493 -0.697 774 H THR 99 H THR 99 -4.562 12.028 1.979 775 HA THR 99 HA THR 99 -6.788 11.664 3.883 776 HB THR 99 HB THR 99 -4.834 14.019 4.072 777 HG1 THR 99 HG1 THR 99 -4.012 11.952 4.849 778 HG21 THR 99 3HG2 THR 99 -7.151 14.596 4.767 779 HG22 THR 99 1HG2 THR 99 -6.069 14.559 6.156 780 HG23 THR 99 2HG2 THR 99 -7.174 13.215 5.867 781 H VAL 100 H VAL 100 -8.343 11.873 2.336 782 HA VAL 100 HA VAL 100 -8.218 13.985 0.332 783 HB VAL 100 HB VAL 100 -9.757 12.845 -0.895 784 HG11 VAL 100 1HG1 VAL 100 -9.660 10.395 -0.665 785 HG12 VAL 100 2HG1 VAL 100 -8.979 10.569 0.955 786 HG13 VAL 100 3HG1 VAL 100 -8.077 11.142 -0.448 787 HG21 VAL 100 3HG2 VAL 100 -11.690 13.261 0.475 788 HG22 VAL 100 1HG2 VAL 100 -11.251 11.960 1.586 789 HG23 VAL 100 2HG2 VAL 100 -11.729 11.584 -0.074 790 H ILE 101 H ILE 101 -9.615 15.722 0.274 791 HA ILE 101 HA ILE 101 -10.975 16.433 2.787 792 HB ILE 101 HB ILE 101 -9.701 18.233 0.680 793 HG12 ILE 101 2HG1 ILE 101 -8.032 17.096 2.076 794 HG13 ILE 101 3HG1 ILE 101 -8.091 18.799 2.514 795 HG21 ILE 101 1HG2 ILE 101 -11.107 19.046 3.259 796 HG22 ILE 101 2HG2 ILE 101 -11.675 19.356 1.617 797 HG23 ILE 101 3HG2 ILE 101 -10.201 20.126 2.198 798 HD11 ILE 101 3HD1 ILE 101 -9.333 16.511 4.054 799 HD12 ILE 101 1HD1 ILE 101 -9.449 18.219 4.498 800 HD13 ILE 101 2HD1 ILE 101 -7.881 17.409 4.484 801 H TYR 102 H TYR 102 -13.085 16.321 2.683 802 HA TYR 102 HA TYR 102 -14.624 16.579 0.249 803 HB2 TYR 102 2HB TYR 102 -15.347 16.007 3.155 804 HB3 TYR 102 3HB TYR 102 -16.578 16.311 1.929 805 HD1 TYR 102 HD2 TYR 102 -13.822 13.989 2.891 806 HD2 TYR 102 HD1 TYR 102 -17.231 14.593 0.375 807 HE1 TYR 102 HE2 TYR 102 -13.743 11.634 2.216 808 HE2 TYR 102 HE1 TYR 102 -17.151 12.224 -0.290 809 HH TYR 102 HH TYR 102 -15.357 9.909 1.326 810 H SER 103 H SER 103 -14.539 18.637 -0.453 811 HA SER 103 HA SER 103 -14.969 20.914 1.336 812 HB2 SER 103 2HB SER 103 -14.682 20.810 -1.702 813 HB3 SER 103 3HB SER 103 -14.606 22.251 -0.682 814 HG SER 103 HG SER 103 -12.820 20.059 -0.459 815 H ALA 104 H ALA 104 -16.906 22.330 0.897 816 HA ALA 104 HA ALA 104 -19.370 21.074 0.694 817 HB1 ALA 104 3HB ALA 104 -20.330 23.301 0.259 818 HB2 ALA 104 1HB ALA 104 -18.722 23.923 -0.122 819 HB3 ALA 104 2HB ALA 104 -19.090 23.377 1.512 820 H ASN 105 H ASN 105 -20.912 20.874 -1.018 821 HA ASN 105 HA ASN 105 -19.909 19.239 -2.966 822 HB2 ASN 105 2HB ASN 105 -22.316 19.349 -2.135 823 HB3 ASN 105 3HB ASN 105 -22.566 20.691 -3.230 824 HD21 ASN 105 1HD2 ASN 105 -21.825 17.257 -3.073 825 HD22 ASN 105 2HD2 ASN 105 -22.407 16.874 -4.653 826 H THR 106 H THR 106 -19.840 19.321 -5.241 827 HA THR 106 HA THR 106 -18.244 21.122 -6.427 828 HB THR 106 HB THR 106 -18.633 19.016 -7.471 829 HG1 THR 106 HG1 THR 106 -18.299 20.911 -8.918 830 HG21 THR 106 3HG2 THR 106 -20.994 18.715 -6.727 831 HG22 THR 106 1HG2 THR 106 -20.761 18.301 -8.433 832 HG23 THR 106 2HG2 THR 106 -21.510 19.835 -7.990 833 H ILE 107 H ILE 107 -21.660 21.626 -5.961 834 HA ILE 107 HA ILE 107 -22.402 23.625 -7.674 835 HB ILE 107 HB ILE 107 -22.967 23.547 -4.668 836 HG12 ILE 107 2HG1 ILE 107 -23.524 21.382 -5.693 837 HG13 ILE 107 3HG1 ILE 107 -25.000 22.223 -5.242 838 HG21 ILE 107 1HG2 ILE 107 -25.070 24.742 -5.200 839 HG22 ILE 107 2HG2 ILE 107 -24.574 24.863 -6.887 840 HG23 ILE 107 3HG2 ILE 107 -23.646 25.695 -5.639 841 HD11 ILE 107 3HD1 ILE 107 -23.870 21.943 -8.029 842 HD12 ILE 107 1HD1 ILE 107 -25.323 22.856 -7.612 843 HD13 ILE 107 2HD1 ILE 107 -25.272 21.112 -7.358 844 H THR 108 H THR 108 -20.666 24.122 -4.536 845 HA THR 108 HA THR 108 -20.266 26.949 -4.968 846 HB THR 108 HB THR 108 -20.457 25.973 -2.673 847 HG1 THR 108 HG1 THR 108 -18.010 27.025 -2.299 848 HG21 THR 108 3HG2 THR 108 -17.688 24.843 -3.184 849 HG22 THR 108 1HG2 THR 108 -19.164 23.903 -2.993 850 HG23 THR 108 2HG2 THR 108 -18.538 24.839 -1.636 851 H GLN 109 H GLN 109 -18.521 24.075 -5.794 852 HA GLN 109 HA GLN 109 -15.940 25.352 -6.241 853 HB2 GLN 109 2HB GLN 109 -16.871 22.581 -7.107 854 HB3 GLN 109 3HB GLN 109 -15.207 23.150 -7.008 855 HG2 GLN 109 2HG GLN 109 -15.445 23.345 -4.542 856 HG3 GLN 109 3HG GLN 109 -17.090 22.731 -4.664 857 HE21 GLN 109 1HE2 GLN 109 -16.338 20.709 -6.745 858 HE22 GLN 109 2HE2 GLN 109 -15.483 19.483 -5.887 859 H ASN 110 H ASN 110 -14.921 25.187 -8.459 860 HA ASN 110 HA ASN 110 -16.728 26.280 -10.481 861 HB2 ASN 110 2HB ASN 110 -13.705 25.906 -10.476 862 HB3 ASN 110 3HB ASN 110 -14.613 26.561 -11.833 863 HD21 ASN 110 1HD2 ASN 110 -15.043 27.212 -8.341 864 HD22 ASN 110 2HD2 ASN 110 -14.702 28.897 -8.452 865 H LYS 111 H LYS 111 -17.965 24.515 -10.938 866 HA LYS 111 HA LYS 111 -18.714 22.603 -11.900 867 HB2 LYS 111 2HB LYS 111 -16.169 22.807 -13.580 868 HB3 LYS 111 3HB LYS 111 -17.609 21.876 -13.996 869 HG2 LYS 111 2HG LYS 111 -18.932 23.935 -14.188 870 HG3 LYS 111 3HG LYS 111 -17.551 24.894 -13.660 871 HD2 LYS 111 2HD LYS 111 -17.586 25.207 -15.983 872 HD3 LYS 111 3HD LYS 111 -16.337 23.989 -15.760 873 HE2 LYS 111 2HE LYS 111 -19.206 23.388 -16.573 874 HE3 LYS 111 3HE LYS 111 -17.861 23.555 -17.697 875 HZ1 LYS 111 3HZ LYS 111 -18.217 21.266 -17.301 876 HZ2 LYS 111 1HZ LYS 111 -18.196 21.462 -15.624 877 HZ3 LYS 111 2HZ LYS 111 -16.779 21.686 -16.516 878 H LYS 112 H LYS 112 -17.478 20.275 -12.792 879 HA LYS 112 HA LYS 112 -16.189 19.203 -10.348 880 HB2 LYS 112 2HB LYS 112 -17.301 17.633 -12.724 881 HB3 LYS 112 3HB LYS 112 -16.866 17.000 -11.136 882 HG2 LYS 112 2HG LYS 112 -18.710 18.332 -10.129 883 HG3 LYS 112 3HG LYS 112 -19.153 18.894 -11.740 884 HD2 LYS 112 2HD LYS 112 -19.634 16.523 -12.392 885 HD3 LYS 112 3HD LYS 112 -19.268 16.022 -10.737 886 HE2 LYS 112 2HE LYS 112 -21.113 17.441 -9.901 887 HE3 LYS 112 3HE LYS 112 -21.477 17.946 -11.553 888 HZ1 LYS 112 3HZ LYS 112 -21.670 15.185 -10.476 889 HZ2 LYS 112 1HZ LYS 112 -21.979 15.622 -12.078 890 HZ3 LYS 112 2HZ LYS 112 -22.962 16.207 -10.841 891 H ASP 113 H ASP 113 -16.022 18.786 -13.841 892 HA ASP 113 HA ASP 113 -14.437 18.651 -15.410 893 HB2 ASP 113 2HB ASP 113 -13.559 20.763 -14.300 894 HB3 ASP 113 3HB ASP 113 -12.459 19.751 -13.379 895 H GLY 114 H GLY 114 -12.617 17.324 -16.141 896 HA2 GLY 114 2HA GLY 114 -12.552 14.729 -15.035 897 HA3 GLY 114 3HA GLY 114 -11.438 15.363 -16.245 898 H LEU 115 H LEU 115 -10.192 17.343 -14.963 899 HA LEU 115 HA LEU 115 -8.574 18.046 -13.638 900 HB2 LEU 115 2HB LEU 115 -9.766 16.111 -11.636 901 HB3 LEU 115 3HB LEU 115 -8.462 17.221 -11.246 902 HG LEU 115 HG LEU 115 -11.285 18.014 -12.089 903 HD11 LEU 115 1HD1 LEU 115 -9.931 18.266 -9.379 904 HD12 LEU 115 2HD1 LEU 115 -11.217 17.134 -9.804 905 HD13 LEU 115 3HD1 LEU 115 -11.542 18.863 -9.797 906 HD21 LEU 115 3HD2 LEU 115 -9.704 19.659 -12.934 907 HD22 LEU 115 1HD2 LEU 115 -8.941 19.797 -11.347 908 HD23 LEU 115 2HD2 LEU 115 -10.606 20.339 -11.582 909 H GLU 116 H GLU 116 -8.731 14.591 -12.921 910 HA GLU 116 HA GLU 116 -5.899 14.155 -13.186 911 HB2 GLU 116 2HB GLU 116 -7.254 12.828 -11.616 912 HB3 GLU 116 3HB GLU 116 -8.240 12.198 -12.936 913 HG2 GLU 116 2HG GLU 116 -6.270 11.041 -13.865 914 HG3 GLU 116 3HG GLU 116 -5.261 11.673 -12.566 915 H HIS 117 H HIS 117 -4.941 14.015 -15.089 916 HA HIS 117 HA HIS 117 -6.093 12.455 -17.306 917 HB2 HIS 117 2HB HIS 117 -4.999 14.125 -18.916 918 HB3 HIS 117 3HB HIS 117 -6.430 14.716 -18.083 919 HD1 HIS 117 HD1 HIS 117 -6.018 16.466 -16.143 920 HD2 HIS 117 HD2 HIS 117 -2.691 15.627 -18.485 921 HE1 HIS 117 HE1 HIS 117 -4.371 18.302 -15.669 922 HE2 HIS 117 HE2 HIS 117 -2.312 17.667 -16.950 923 H HIS 118 H HIS 118 -4.800 10.741 -17.430 924 HA HIS 118 HA HIS 118 -3.081 9.286 -17.197 925 HB2 HIS 118 2HB HIS 118 -1.269 11.708 -17.631 926 HB3 HIS 118 3HB HIS 118 -0.742 10.027 -17.664 927 HD1 HIS 118 HD1 HIS 118 -1.385 8.627 -19.750 928 HD2 HIS 118 HD2 HIS 118 -2.601 12.591 -19.918 929 HE1 HIS 118 HE1 HIS 118 -2.055 9.029 -22.130 930 HE2 HIS 118 HE2 HIS 118 -2.827 11.415 -22.203 931 H HIS 119 H HIS 119 -3.114 8.491 -15.183 932 HA HIS 119 HA HIS 119 -3.138 10.118 -12.866 933 HB2 HIS 119 2HB HIS 119 -4.433 8.056 -12.963 934 HB3 HIS 119 3HB HIS 119 -2.972 7.093 -13.190 935 HD1 HIS 119 HD1 HIS 119 -2.409 5.894 -11.084 936 HD2 HIS 119 HD2 HIS 119 -4.118 9.592 -10.276 937 HE1 HIS 119 HE1 HIS 119 -2.511 6.050 -8.592 938 HE2 HIS 119 HE2 HIS 119 -3.330 8.374 -8.144 939 H HIS 120 H HIS 120 -0.600 8.199 -14.399 940 HA HIS 120 HA HIS 120 1.571 7.719 -13.967 941 HB2 HIS 120 2HB HIS 120 1.613 10.192 -12.179 942 HB3 HIS 120 3HB HIS 120 3.020 9.372 -12.832 943 HD1 HIS 120 HD1 HIS 120 3.640 9.899 -15.303 944 HD2 HIS 120 HD2 HIS 120 0.324 11.969 -13.904 945 HE1 HIS 120 HE1 HIS 120 3.201 11.703 -16.994 946 HE2 HIS 120 HE2 HIS 120 1.198 12.936 -16.122 947 H HIS 121 H HIS 121 0.945 9.142 -10.798 948 HA HIS 121 HA HIS 121 0.333 6.704 -9.437 949 HB2 HIS 121 2HB HIS 121 2.754 6.326 -9.610 950 HB3 HIS 121 3HB HIS 121 3.087 7.941 -9.005 951 HD1 HIS 121 HD1 HIS 121 1.679 4.634 -7.835 952 HD2 HIS 121 HD2 HIS 121 3.303 8.115 -6.265 953 HE1 HIS 121 HE1 HIS 121 1.974 4.199 -5.385 954 HE2 HIS 121 HE2 HIS 121 2.729 6.388 -4.444 955 H HIS 122 H HIS 122 1.854 9.879 -8.928 956 HA HIS 122 HA HIS 122 -0.394 11.089 -7.697 957 HB2 HIS 122 2HB HIS 122 0.302 9.686 -5.745 958 HB3 HIS 122 3HB HIS 122 1.913 10.394 -5.805 959 HD1 HIS 122 HD1 HIS 122 2.213 12.228 -4.142 960 HD2 HIS 122 HD2 HIS 122 -1.745 11.908 -5.353 961 HE1 HIS 122 HE1 HIS 122 0.955 13.943 -2.810 962 HE2 HIS 122 HE2 HIS 122 -1.379 13.868 -3.726 Start of MODEL 12 1 H1 MET 1 1H MET 1 18.517 -31.448 -1.108 2 H2 MET 1 2H MET 1 18.904 -30.216 -0.011 3 H3 MET 1 3H MET 1 18.661 -29.847 -1.643 4 HA MET 1 HA MET 1 16.370 -30.472 -1.502 5 HB2 MET 1 2HB MET 1 16.758 -32.156 0.359 6 HB3 MET 1 3HB MET 1 16.894 -30.819 1.489 7 HG2 MET 1 2HG MET 1 14.562 -30.181 1.020 8 HG3 MET 1 3HG MET 1 14.428 -31.516 -0.125 9 HE1 MET 1 3HE MET 1 14.555 -34.121 0.609 10 HE2 MET 1 1HE MET 1 14.804 -34.634 2.279 11 HE3 MET 1 2HE MET 1 16.100 -33.819 1.407 12 H ILE 2 H ILE 2 15.019 -28.720 -1.376 13 HA ILE 2 HA ILE 2 16.018 -26.223 -0.126 14 HB ILE 2 HB ILE 2 14.403 -26.645 -2.696 15 HG12 ILE 2 2HG1 ILE 2 16.890 -27.024 -2.903 16 HG13 ILE 2 3HG1 ILE 2 16.284 -25.728 -3.924 17 HG21 ILE 2 1HG2 ILE 2 15.149 -24.006 -1.385 18 HG22 ILE 2 2HG2 ILE 2 13.525 -24.667 -1.585 19 HG23 ILE 2 3HG2 ILE 2 14.452 -24.176 -3.000 20 HD11 ILE 2 3HD1 ILE 2 17.154 -24.082 -2.319 21 HD12 ILE 2 1HD1 ILE 2 18.418 -25.140 -2.948 22 HD13 ILE 2 2HD1 ILE 2 17.779 -25.399 -1.325 23 H GLU 3 H GLU 3 14.627 -25.298 1.396 24 HA GLU 3 HA GLU 3 11.745 -25.991 1.267 25 HB2 GLU 3 2HB GLU 3 11.489 -25.121 3.518 26 HB3 GLU 3 3HB GLU 3 12.818 -26.273 3.523 27 HG2 GLU 3 2HG GLU 3 14.446 -24.513 3.687 28 HG3 GLU 3 3HG GLU 3 13.239 -23.274 3.371 29 HA PRO 4 HA PRO 4 11.041 -21.825 -0.519 30 HB2 PRO 4 2HB PRO 4 8.217 -22.271 0.429 31 HB3 PRO 4 3HB PRO 4 8.820 -21.902 -1.203 32 HG2 PRO 4 2HG PRO 4 7.939 -24.341 -0.638 33 HG3 PRO 4 3HG PRO 4 9.380 -24.121 -1.661 34 HD2 PRO 4 2HD PRO 4 9.246 -24.837 1.275 35 HD3 PRO 4 3HD PRO 4 10.237 -25.561 -0.018 36 H ILE 5 H ILE 5 11.409 -19.927 0.499 37 HA ILE 5 HA ILE 5 10.361 -19.419 3.241 38 HB ILE 5 HB ILE 5 12.452 -17.998 3.599 39 HG12 ILE 5 2HG1 ILE 5 13.391 -19.454 1.082 40 HG13 ILE 5 3HG1 ILE 5 13.064 -17.733 1.207 41 HG21 ILE 5 1HG2 ILE 5 12.269 -20.204 4.648 42 HG22 ILE 5 2HG2 ILE 5 13.936 -19.914 4.144 43 HG23 ILE 5 3HG2 ILE 5 12.900 -20.979 3.191 44 HD11 ILE 5 3HD1 ILE 5 14.946 -17.502 2.744 45 HD12 ILE 5 1HD1 ILE 5 15.425 -18.183 1.191 46 HD13 ILE 5 2HD1 ILE 5 15.271 -19.227 2.602 47 H LYS 6 H LYS 6 10.187 -17.011 3.741 48 HA LYS 6 HA LYS 6 10.039 -15.186 1.515 49 HB2 LYS 6 2HB LYS 6 7.703 -14.713 1.441 50 HB3 LYS 6 3HB LYS 6 7.845 -16.456 1.346 51 HG2 LYS 6 2HG LYS 6 7.083 -14.919 3.852 52 HG3 LYS 6 3HG LYS 6 5.941 -15.671 2.743 53 HD2 LYS 6 2HD LYS 6 8.042 -17.136 4.399 54 HD3 LYS 6 3HD LYS 6 6.316 -17.070 4.758 55 HE2 LYS 6 2HE LYS 6 7.563 -18.343 2.297 56 HE3 LYS 6 3HE LYS 6 6.960 -19.212 3.706 57 HZ1 LYS 6 3HZ LYS 6 5.339 -17.551 1.860 58 HZ2 LYS 6 1HZ LYS 6 4.754 -18.355 3.228 59 HZ3 LYS 6 2HZ LYS 6 5.366 -19.240 1.926 60 H ARG 7 H ARG 7 10.003 -13.075 2.030 61 HA ARG 7 HA ARG 7 9.739 -12.237 4.859 62 HB2 ARG 7 2HB ARG 7 11.408 -11.043 2.603 63 HB3 ARG 7 3HB ARG 7 11.140 -10.231 4.140 64 HG2 ARG 7 2HG ARG 7 12.601 -12.847 3.720 65 HG3 ARG 7 3HG ARG 7 13.334 -11.287 4.082 66 HD2 ARG 7 2HD ARG 7 11.475 -12.838 5.922 67 HD3 ARG 7 3HD ARG 7 13.232 -12.750 6.067 68 HE ARG 7 HE ARG 7 11.786 -10.214 6.133 69 HH11 ARG 7 1HH1 ARG 7 13.309 -12.752 8.029 70 HH12 ARG 7 2HH1 ARG 7 13.471 -11.762 9.443 71 HH21 ARG 7 1HH2 ARG 7 12.014 -8.922 7.994 72 HH22 ARG 7 2HH2 ARG 7 12.735 -9.585 9.423 73 H THR 8 H THR 8 8.370 -10.481 5.256 74 HA THR 8 HA THR 8 6.575 -9.717 3.024 75 HB THR 8 HB THR 8 5.943 -9.824 6.018 76 HG1 THR 8 HG1 THR 8 4.829 -11.612 4.139 77 HG21 THR 8 3HG2 THR 8 4.090 -9.465 3.612 78 HG22 THR 8 1HG2 THR 8 4.536 -8.201 4.763 79 HG23 THR 8 2HG2 THR 8 3.587 -9.585 5.299 80 H GLN 9 H GLN 9 6.863 -7.656 2.428 81 HA GLN 9 HA GLN 9 7.360 -5.596 4.508 82 HB2 GLN 9 2HB GLN 9 9.087 -5.888 2.580 83 HB3 GLN 9 3HB GLN 9 7.857 -5.205 1.525 84 HG2 GLN 9 2HG GLN 9 9.352 -3.453 2.200 85 HG3 GLN 9 3HG GLN 9 7.797 -3.179 2.984 86 HE21 GLN 9 1HE2 GLN 9 11.079 -4.371 3.511 87 HE22 GLN 9 2HE2 GLN 9 11.119 -4.092 5.212 88 H VAL 10 H VAL 10 5.887 -3.912 4.632 89 HA VAL 10 HA VAL 10 3.657 -3.929 2.686 90 HB VAL 10 HB VAL 10 2.157 -3.089 4.500 91 HG11 VAL 10 1HG1 VAL 10 1.817 -5.286 5.597 92 HG12 VAL 10 2HG1 VAL 10 3.398 -5.819 5.023 93 HG13 VAL 10 3HG1 VAL 10 2.119 -5.452 3.866 94 HG21 VAL 10 3HG2 VAL 10 4.463 -3.757 6.381 95 HG22 VAL 10 1HG2 VAL 10 2.817 -3.342 6.879 96 HG23 VAL 10 2HG2 VAL 10 3.814 -2.150 6.051 97 H VAL 11 H VAL 11 3.249 -2.110 1.653 98 HA VAL 11 HA VAL 11 4.516 0.421 2.522 99 HB VAL 11 HB VAL 11 3.224 -0.283 -0.170 100 HG11 VAL 11 1HG1 VAL 11 2.874 2.101 0.349 101 HG12 VAL 11 2HG1 VAL 11 4.044 1.926 -0.955 102 HG13 VAL 11 3HG1 VAL 11 4.594 2.311 0.679 103 HG21 VAL 11 3HG2 VAL 11 6.151 0.186 0.565 104 HG22 VAL 11 1HG2 VAL 11 5.532 -0.128 -1.060 105 HG23 VAL 11 2HG2 VAL 11 5.415 -1.371 0.182 106 H THR 12 H THR 12 3.252 2.001 3.383 107 HA THR 12 HA THR 12 0.481 1.163 4.030 108 HB THR 12 HB THR 12 2.449 2.793 5.714 109 HG1 THR 12 HG1 THR 12 3.250 0.698 5.442 110 HG21 THR 12 3HG2 THR 12 0.080 3.104 6.358 111 HG22 THR 12 1HG2 THR 12 0.965 2.209 7.593 112 HG23 THR 12 2HG2 THR 12 -0.117 1.352 6.491 113 H GLN 13 H GLN 13 -0.868 2.454 2.759 114 HA GLN 13 HA GLN 13 -0.225 5.311 2.472 115 HB2 GLN 13 2HB GLN 13 -0.807 3.885 0.430 116 HB3 GLN 13 3HB GLN 13 -2.453 3.814 1.053 117 HG2 GLN 13 2HG GLN 13 -2.490 6.346 0.983 118 HG3 GLN 13 3HG GLN 13 -0.931 6.283 0.158 119 HE21 GLN 13 1HE2 GLN 13 -1.929 7.354 -1.630 120 HE22 GLN 13 2HE2 GLN 13 -2.943 6.494 -2.733 121 H THR 14 H THR 14 -1.002 6.517 4.042 122 HA THR 14 HA THR 14 -3.280 5.742 5.676 123 HB THR 14 HB THR 14 -1.438 8.181 5.818 124 HG1 THR 14 HG1 THR 14 -0.927 6.359 7.729 125 HG21 THR 14 3HG2 THR 14 -3.202 6.950 7.965 126 HG22 THR 14 1HG2 THR 14 -3.546 8.445 7.102 127 HG23 THR 14 2HG2 THR 14 -2.142 8.340 8.158 128 H ILE 15 H ILE 15 -5.273 6.153 4.646 129 HA ILE 15 HA ILE 15 -5.619 8.669 3.177 130 HB ILE 15 HB ILE 15 -7.323 6.156 3.260 131 HG12 ILE 15 2HG1 ILE 15 -7.144 6.354 0.761 132 HG13 ILE 15 3HG1 ILE 15 -6.161 7.803 0.949 133 HG21 ILE 15 1HG2 ILE 15 -8.294 8.842 2.184 134 HG22 ILE 15 2HG2 ILE 15 -8.979 7.935 3.533 135 HG23 ILE 15 3HG2 ILE 15 -9.086 7.287 1.901 136 HD11 ILE 15 3HD1 ILE 15 -4.415 6.480 2.009 137 HD12 ILE 15 1HD1 ILE 15 -4.840 5.829 0.428 138 HD13 ILE 15 2HD1 ILE 15 -5.419 5.031 1.889 139 H HIS 16 H HIS 16 -6.635 10.364 3.902 140 HA HIS 16 HA HIS 16 -8.165 10.258 6.445 141 HB2 HIS 16 2HB HIS 16 -6.567 12.578 5.237 142 HB3 HIS 16 3HB HIS 16 -7.541 12.676 6.703 143 HD1 HIS 16 HD1 HIS 16 -6.105 12.621 8.706 144 HD2 HIS 16 HD2 HIS 16 -4.487 10.327 5.663 145 HE1 HIS 16 HE1 HIS 16 -3.945 11.749 9.612 146 HE2 HIS 16 HE2 HIS 16 -2.872 10.612 7.660 147 H TYR 17 H TYR 17 -10.279 10.711 6.213 148 HA TYR 17 HA TYR 17 -11.301 11.981 3.757 149 HB2 TYR 17 2HB TYR 17 -12.817 10.592 6.027 150 HB3 TYR 17 3HB TYR 17 -13.527 11.201 4.537 151 HD1 TYR 17 HD1 TYR 17 -12.541 10.175 2.311 152 HD2 TYR 17 HD2 TYR 17 -12.205 8.305 6.120 153 HE1 TYR 17 HE1 TYR 17 -12.133 8.030 1.210 154 HE2 TYR 17 HE2 TYR 17 -11.817 6.155 5.015 155 HH TYR 17 HH TYR 17 -11.193 5.889 1.638 156 H ARG 18 H ARG 18 -11.598 14.130 3.885 157 HA ARG 18 HA ARG 18 -12.708 15.350 6.307 158 HB2 ARG 18 2HB ARG 18 -10.187 16.425 4.956 159 HB3 ARG 18 3HB ARG 18 -11.118 17.279 6.183 160 HG2 ARG 18 2HG ARG 18 -10.617 15.283 7.721 161 HG3 ARG 18 3HG ARG 18 -9.429 14.795 6.512 162 HD2 ARG 18 2HD ARG 18 -9.483 17.396 8.067 163 HD3 ARG 18 3HD ARG 18 -8.344 16.068 8.285 164 HE ARG 18 HE ARG 18 -8.446 17.432 5.682 165 HH11 ARG 18 1HH1 ARG 18 -6.652 16.890 8.663 166 HH12 ARG 18 2HH1 ARG 18 -5.181 17.556 8.026 167 HH21 ARG 18 1HH2 ARG 18 -6.536 18.308 4.881 168 HH22 ARG 18 2HH2 ARG 18 -5.120 18.362 5.878 169 H TYR 19 H TYR 19 -13.575 17.492 5.883 170 HA TYR 19 HA TYR 19 -14.777 17.748 3.235 171 HB2 TYR 19 2HB TYR 19 -15.174 19.382 5.794 172 HB3 TYR 19 3HB TYR 19 -16.131 19.547 4.326 173 HD1 TYR 19 HD2 TYR 19 -15.407 17.313 7.213 174 HD2 TYR 19 HD1 TYR 19 -17.964 17.986 3.867 175 HE1 TYR 19 HE2 TYR 19 -16.977 15.647 8.084 176 HE2 TYR 19 HE1 TYR 19 -19.535 16.319 4.744 177 HH TYR 19 HH TYR 19 -19.580 14.422 6.239 178 H GLU 20 H GLU 20 -14.894 20.030 2.320 179 HA GLU 20 HA GLU 20 -12.345 21.276 1.981 180 HB2 GLU 20 2HB GLU 20 -13.568 22.984 0.666 181 HB3 GLU 20 3HB GLU 20 -14.057 21.355 0.204 182 HG2 GLU 20 2HG GLU 20 -16.182 21.563 1.207 183 HG3 GLU 20 3HG GLU 20 -15.671 22.905 2.228 184 H ASP 21 H ASP 21 -14.981 21.683 4.162 185 HA ASP 21 HA ASP 21 -14.423 24.199 5.332 186 HB2 ASP 21 2HB ASP 21 -16.553 23.052 5.638 187 HB3 ASP 21 3HB ASP 21 -15.765 21.669 6.386 188 H GLY 22 H GLY 22 -12.793 21.153 5.527 189 HA2 GLY 22 2HA GLY 22 -10.634 20.851 6.491 190 HA3 GLY 22 3HA GLY 22 -11.018 22.080 7.689 191 H ALA 23 H ALA 23 -13.775 20.691 7.920 192 HA ALA 23 HA ALA 23 -13.379 19.346 10.321 193 HB1 ALA 23 3HB ALA 23 -15.545 20.306 9.643 194 HB2 ALA 23 1HB ALA 23 -15.733 18.614 10.109 195 HB3 ALA 23 2HB ALA 23 -15.721 19.066 8.399 196 H VAL 24 H VAL 24 -13.096 17.204 10.903 197 HA VAL 24 HA VAL 24 -12.015 15.437 8.857 198 HB VAL 24 HB VAL 24 -12.160 15.064 11.891 199 HG11 VAL 24 1HG1 VAL 24 -11.946 12.922 10.727 200 HG12 VAL 24 2HG1 VAL 24 -10.441 13.310 11.555 201 HG13 VAL 24 3HG1 VAL 24 -10.564 13.520 9.804 202 HG21 VAL 24 3HG2 VAL 24 -10.809 17.036 11.293 203 HG22 VAL 24 1HG2 VAL 24 -9.842 16.072 10.175 204 HG23 VAL 24 2HG2 VAL 24 -9.771 15.753 11.911 205 H ALA 25 H ALA 25 -13.481 14.266 7.745 206 HA ALA 25 HA ALA 25 -15.972 13.287 8.762 207 HB1 ALA 25 3HB ALA 25 -16.120 12.045 6.619 208 HB2 ALA 25 1HB ALA 25 -14.439 12.454 6.270 209 HB3 ALA 25 2HB ALA 25 -15.655 13.728 6.362 210 H HIS 26 H HIS 26 -12.848 11.734 8.030 211 HA HIS 26 HA HIS 26 -12.803 9.953 10.221 212 HB2 HIS 26 2HB HIS 26 -14.581 8.795 8.866 213 HB3 HIS 26 3HB HIS 26 -13.452 8.664 7.525 214 HD1 HIS 26 HD1 HIS 26 -12.816 6.282 7.358 215 HD2 HIS 26 HD2 HIS 26 -13.042 7.514 11.317 216 HE1 HIS 26 HE1 HIS 26 -12.236 4.261 8.727 217 HE2 HIS 26 HE2 HIS 26 -12.247 5.066 11.108 218 H ASP 27 H ASP 27 -10.679 10.749 10.408 219 HA ASP 27 HA ASP 27 -8.906 11.047 8.170 220 HB2 ASP 27 2HB ASP 27 -7.216 11.783 9.778 221 HB3 ASP 27 3HB ASP 27 -8.757 12.544 10.127 222 H ASP 28 H ASP 28 -9.550 8.438 10.333 223 HA ASP 28 HA ASP 28 -6.988 7.106 9.833 224 HB2 ASP 28 2HB ASP 28 -7.639 7.424 12.183 225 HB3 ASP 28 3HB ASP 28 -9.151 6.564 11.907 226 H HIS 29 H HIS 29 -7.738 6.688 7.595 227 HA HIS 29 HA HIS 29 -8.744 3.921 7.630 228 HB2 HIS 29 2HB HIS 29 -10.489 5.470 6.605 229 HB3 HIS 29 3HB HIS 29 -9.346 5.785 5.304 230 HD1 HIS 29 HD1 HIS 29 -11.754 4.650 4.201 231 HD2 HIS 29 HD2 HIS 29 -8.948 2.120 5.917 232 HE1 HIS 29 HE1 HIS 29 -12.256 2.381 3.284 233 HE2 HIS 29 HE2 HIS 29 -10.581 0.856 4.359 234 H VAL 30 H VAL 30 -6.632 3.438 7.883 235 HA VAL 30 HA VAL 30 -4.611 4.198 5.886 236 HB VAL 30 HB VAL 30 -4.251 2.539 8.441 237 HG11 VAL 30 1HG1 VAL 30 -1.927 3.336 8.339 238 HG12 VAL 30 2HG1 VAL 30 -2.285 4.248 6.872 239 HG13 VAL 30 3HG1 VAL 30 -2.376 2.486 6.862 240 HG21 VAL 30 3HG2 VAL 30 -5.355 4.599 9.159 241 HG22 VAL 30 1HG2 VAL 30 -4.222 5.580 8.234 242 HG23 VAL 30 2HG2 VAL 30 -3.657 4.670 9.633 243 H VAL 31 H VAL 31 -4.404 2.862 4.188 244 HA VAL 31 HA VAL 31 -4.985 -0.022 4.407 245 HB VAL 31 HB VAL 31 -6.102 1.345 2.575 246 HG11 VAL 31 1HG1 VAL 31 -4.819 2.013 0.585 247 HG12 VAL 31 2HG1 VAL 31 -3.315 1.531 1.374 248 HG13 VAL 31 3HG1 VAL 31 -4.265 2.866 2.026 249 HG21 VAL 31 3HG2 VAL 31 -5.784 -0.338 0.794 250 HG22 VAL 31 1HG2 VAL 31 -5.920 -1.098 2.378 251 HG23 VAL 31 2HG2 VAL 31 -4.340 -0.949 1.607 252 H SER 32 H SER 32 -3.383 -1.509 3.489 253 HA SER 32 HA SER 32 -0.675 -0.492 2.993 254 HB2 SER 32 2HB SER 32 -1.258 -2.704 5.020 255 HB3 SER 32 3HB SER 32 0.344 -2.154 4.519 256 HG SER 32 HG SER 32 -1.568 -0.423 5.688 257 H LEU 33 H LEU 33 0.438 -1.740 1.496 258 HA LEU 33 HA LEU 33 -0.991 -4.001 0.257 259 HB2 LEU 33 2HB LEU 33 1.354 -2.335 -0.728 260 HB3 LEU 33 3HB LEU 33 0.698 -3.721 -1.586 261 HG LEU 33 HG LEU 33 -0.747 -1.115 -1.038 262 HD11 LEU 33 1HD1 LEU 33 0.340 -2.269 -3.615 263 HD12 LEU 33 2HD1 LEU 33 1.008 -0.908 -2.713 264 HD13 LEU 33 3HD1 LEU 33 -0.581 -0.770 -3.459 265 HD21 LEU 33 3HD2 LEU 33 -2.359 -2.966 -0.993 266 HD22 LEU 33 1HD2 LEU 33 -1.759 -3.557 -2.544 267 HD23 LEU 33 2HD2 LEU 33 -2.575 -1.995 -2.446 268 H ILE 34 H ILE 34 -0.296 -5.987 0.637 269 HA ILE 34 HA ILE 34 2.164 -6.478 2.110 270 HB ILE 34 HB ILE 34 -0.096 -8.363 1.271 271 HG12 ILE 34 2HG1 ILE 34 -0.318 -8.549 3.872 272 HG13 ILE 34 3HG1 ILE 34 0.722 -7.134 3.955 273 HG21 ILE 34 1HG2 ILE 34 2.005 -9.627 1.222 274 HG22 ILE 34 2HG2 ILE 34 1.037 -10.133 2.603 275 HG23 ILE 34 3HG2 ILE 34 2.420 -9.064 2.841 276 HD11 ILE 34 3HD1 ILE 34 -0.959 -5.822 2.757 277 HD12 ILE 34 1HD1 ILE 34 -1.632 -6.559 4.211 278 HD13 ILE 34 2HD1 ILE 34 -1.994 -7.246 2.628 279 H PHE 35 H PHE 35 3.929 -6.572 0.984 280 HA PHE 35 HA PHE 35 4.146 -7.814 -1.671 281 HB2 PHE 35 2HB PHE 35 6.134 -6.138 -0.058 282 HB3 PHE 35 3HB PHE 35 6.470 -6.834 -1.643 283 HD1 PHE 35 HD2 PHE 35 4.340 -4.361 0.164 284 HD2 PHE 35 HD1 PHE 35 5.736 -5.732 -3.635 285 HE1 PHE 35 HE2 PHE 35 3.386 -2.375 -0.915 286 HE2 PHE 35 HE1 PHE 35 4.778 -3.745 -4.704 287 HZ PHE 35 HZ PHE 35 3.597 -2.067 -3.347 288 H THR 36 H THR 36 4.722 -9.891 -1.706 289 HA THR 36 HA THR 36 6.149 -11.099 0.583 290 HB THR 36 HB THR 36 4.774 -12.524 -1.752 291 HG1 THR 36 HG1 THR 36 3.126 -11.557 -0.684 292 HG21 THR 36 3HG2 THR 36 5.669 -13.523 0.985 293 HG22 THR 36 1HG2 THR 36 6.427 -13.917 -0.560 294 HG23 THR 36 2HG2 THR 36 4.787 -14.467 -0.217 295 H GLN 37 H GLN 37 8.268 -10.653 0.236 296 HA GLN 37 HA GLN 37 9.595 -11.214 -2.303 297 HB2 GLN 37 2HB GLN 37 10.558 -10.036 0.334 298 HB3 GLN 37 3HB GLN 37 11.686 -10.522 -0.923 299 HG2 GLN 37 2HG GLN 37 11.338 -8.146 -1.063 300 HG3 GLN 37 3HG GLN 37 10.636 -8.910 -2.481 301 HE21 GLN 37 1HE2 GLN 37 9.103 -8.758 0.718 302 HE22 GLN 37 2HE2 GLN 37 7.816 -7.719 0.233 303 H SER 38 H SER 38 9.020 -13.432 -2.322 304 HA SER 38 HA SER 38 10.017 -15.189 -0.228 305 HB2 SER 38 2HB SER 38 8.987 -16.994 -1.663 306 HB3 SER 38 3HB SER 38 7.858 -15.752 -1.132 307 HG SER 38 HG SER 38 8.996 -16.135 -3.680 308 H GLY 39 H GLY 39 11.799 -16.387 -0.338 309 HA2 GLY 39 2HA GLY 39 13.340 -16.607 -2.871 310 HA3 GLY 39 3HA GLY 39 14.079 -16.471 -1.274 311 H LYS 40 H LYS 40 15.147 -18.485 -1.767 312 HA LYS 40 HA LYS 40 13.567 -20.764 -0.869 313 HB2 LYS 40 2HB LYS 40 14.455 -22.233 -2.655 314 HB3 LYS 40 3HB LYS 40 13.446 -20.961 -3.295 315 HG2 LYS 40 2HG LYS 40 15.140 -20.983 -4.857 316 HG3 LYS 40 3HG LYS 40 15.746 -19.745 -3.757 317 HD2 LYS 40 2HD LYS 40 17.258 -21.377 -2.719 318 HD3 LYS 40 3HD LYS 40 16.590 -22.670 -3.715 319 HE2 LYS 40 2HE LYS 40 17.459 -21.564 -5.741 320 HE3 LYS 40 3HE LYS 40 18.102 -20.249 -4.753 321 HZ1 LYS 40 3HZ LYS 40 19.811 -21.857 -5.304 322 HZ2 LYS 40 1HZ LYS 40 18.915 -23.099 -4.584 323 HZ3 LYS 40 2HZ LYS 40 19.538 -21.843 -3.637 324 H ARG 41 H ARG 41 14.721 -22.139 0.446 325 HA ARG 41 HA ARG 41 17.392 -21.154 1.276 326 HB2 ARG 41 2HB ARG 41 15.612 -20.923 2.997 327 HB3 ARG 41 3HB ARG 41 15.260 -22.641 2.888 328 HG2 ARG 41 2HG ARG 41 17.597 -23.101 3.697 329 HG3 ARG 41 3HG ARG 41 17.809 -21.364 3.926 330 HD2 ARG 41 2HD ARG 41 15.782 -23.136 5.342 331 HD3 ARG 41 3HD ARG 41 17.248 -22.446 6.046 332 HE ARG 41 HE ARG 41 15.856 -20.279 5.146 333 HH11 ARG 41 2HH1 ARG 41 14.995 -22.890 7.353 334 HH12 ARG 41 1HH1 ARG 41 13.917 -21.889 8.276 335 HH21 ARG 41 1HH2 ARG 41 14.488 -19.003 6.382 336 HH22 ARG 41 2HH2 ARG 41 13.630 -19.694 7.720 337 H ASP 42 H ASP 42 18.993 -22.488 0.691 338 HA ASP 42 HA ASP 42 18.765 -25.291 0.175 339 HB2 ASP 42 2HB ASP 42 20.626 -24.051 -0.776 340 HB3 ASP 42 3HB ASP 42 21.129 -23.500 0.810 341 H LEU 43 H LEU 43 18.704 -26.902 1.609 342 HA LEU 43 HA LEU 43 18.662 -26.311 4.455 343 HB2 LEU 43 2HB LEU 43 18.102 -28.818 2.836 344 HB3 LEU 43 3HB LEU 43 18.027 -28.777 4.591 345 HG LEU 43 HG LEU 43 16.304 -27.148 2.668 346 HD11 LEU 43 1HD1 LEU 43 15.634 -29.488 2.775 347 HD12 LEU 43 2HD1 LEU 43 14.415 -28.442 3.491 348 HD13 LEU 43 3HD1 LEU 43 15.482 -29.389 4.533 349 HD21 LEU 43 3HD2 LEU 43 16.761 -25.790 4.629 350 HD22 LEU 43 1HD2 LEU 43 16.277 -27.108 5.702 351 HD23 LEU 43 2HD2 LEU 43 15.086 -26.327 4.658 352 H THR 44 H THR 44 21.001 -27.546 2.229 353 HA THR 44 HA THR 44 22.304 -29.366 4.032 354 HB THR 44 HB THR 44 23.878 -29.761 2.334 355 HG1 THR 44 HG1 THR 44 23.170 -27.475 0.837 356 HG21 THR 44 3HG2 THR 44 21.653 -30.487 1.614 357 HG22 THR 44 1HG2 THR 44 22.631 -29.999 0.227 358 HG23 THR 44 2HG2 THR 44 21.386 -28.914 0.853 359 H ASN 45 H ASN 45 23.084 -26.114 2.794 360 HA ASN 45 HA ASN 45 25.078 -25.654 4.903 361 HB2 ASN 45 2HB ASN 45 24.015 -23.869 2.677 362 HB3 ASN 45 3HB ASN 45 25.138 -23.283 3.898 363 HD21 ASN 45 1HD2 ASN 45 24.786 -25.093 0.996 364 HD22 ASN 45 2HD2 ASN 45 26.475 -25.362 0.730 365 H GLY 46 H GLY 46 21.722 -24.934 4.186 366 HA2 GLY 46 2HA GLY 46 20.092 -24.053 5.650 367 HA3 GLY 46 3HA GLY 46 21.362 -23.489 6.736 368 H LYS 47 H LYS 47 22.250 -22.707 3.632 369 HA LYS 47 HA LYS 47 22.111 -19.909 4.069 370 HB2 LYS 47 2HB LYS 47 23.160 -19.714 1.822 371 HB3 LYS 47 3HB LYS 47 23.979 -20.910 2.821 372 HG2 LYS 47 2HG LYS 47 22.838 -22.715 1.617 373 HG3 LYS 47 3HG LYS 47 22.007 -21.531 0.609 374 HD2 LYS 47 2HD LYS 47 25.027 -21.878 0.738 375 HD3 LYS 47 3HD LYS 47 23.991 -22.596 -0.496 376 HE2 LYS 47 2HE LYS 47 23.356 -20.395 -1.309 377 HE3 LYS 47 3HE LYS 47 24.232 -19.612 0.008 378 HZ1 LYS 47 3HZ LYS 47 25.460 -21.276 -2.119 379 HZ2 LYS 47 1HZ LYS 47 26.293 -20.492 -0.871 380 HZ3 LYS 47 2HZ LYS 47 25.488 -19.589 -2.058 381 H GLU 48 H GLU 48 20.723 -18.366 3.254 382 HA GLU 48 HA GLU 48 18.254 -19.322 1.923 383 HB2 GLU 48 2HB GLU 48 18.811 -16.873 3.641 384 HB3 GLU 48 3HB GLU 48 17.282 -17.152 2.807 385 HG2 GLU 48 2HG GLU 48 16.991 -19.261 4.081 386 HG3 GLU 48 3HG GLU 48 18.496 -18.932 4.925 387 H ILE 49 H ILE 49 18.354 -19.093 -0.169 388 HA ILE 49 HA ILE 49 19.814 -16.874 -1.438 389 HB ILE 49 HB ILE 49 18.516 -19.259 -2.857 390 HG12 ILE 49 2HG1 ILE 49 20.983 -20.006 -3.217 391 HG13 ILE 49 3HG1 ILE 49 21.399 -18.910 -1.904 392 HG21 ILE 49 1HG2 ILE 49 20.467 -17.162 -3.896 393 HG22 ILE 49 2HG2 ILE 49 18.755 -17.296 -4.296 394 HG23 ILE 49 3HG2 ILE 49 19.876 -18.554 -4.812 395 HD11 ILE 49 3HD1 ILE 49 19.536 -21.283 -1.706 396 HD12 ILE 49 1HD1 ILE 49 19.988 -20.206 -0.380 397 HD13 ILE 49 2HD1 ILE 49 21.207 -21.219 -1.150 398 H TRP 50 H TRP 50 18.373 -15.217 -0.950 399 HA TRP 50 HA TRP 50 15.695 -15.165 -2.085 400 HB2 TRP 50 2HB TRP 50 17.374 -12.818 -1.062 401 HB3 TRP 50 3HB TRP 50 15.621 -12.888 -1.228 402 HD1 TRP 50 HD1 TRP 50 18.452 -13.830 1.159 403 HE1 TRP 50 HE1 TRP 50 17.443 -14.637 3.371 404 HE3 TRP 50 HE3 TRP 50 13.553 -14.093 -0.245 405 HZ2 TRP 50 HZ2 TRP 50 14.904 -15.286 4.403 406 HZ3 TRP 50 HZ3 TRP 50 11.899 -14.828 1.408 407 HH2 TRP 50 HH2 TRP 50 12.555 -15.411 3.680 408 H ASP 51 H ASP 51 15.389 -14.648 -4.243 409 HA ASP 51 HA ASP 51 17.474 -14.551 -6.066 410 HB2 ASP 51 2HB ASP 51 15.141 -15.120 -6.696 411 HB3 ASP 51 3HB ASP 51 14.661 -13.446 -6.448 412 H SER 52 H SER 52 18.861 -13.012 -6.670 413 HA SER 52 HA SER 52 19.180 -10.613 -5.282 414 HB2 SER 52 2HB SER 52 20.381 -11.385 -7.972 415 HB3 SER 52 3HB SER 52 20.967 -10.095 -6.921 416 HG SER 52 HG SER 52 20.749 -12.369 -5.516 417 H LYS 53 H LYS 53 17.629 -11.267 -8.372 418 HA LYS 53 HA LYS 53 17.144 -8.412 -8.934 419 HB2 LYS 53 2HB LYS 53 16.597 -10.895 -10.620 420 HB3 LYS 53 3HB LYS 53 16.483 -9.223 -11.167 421 HG2 LYS 53 2HG LYS 53 18.889 -8.932 -10.950 422 HG3 LYS 53 3HG LYS 53 19.048 -10.525 -10.205 423 HD2 LYS 53 2HD LYS 53 18.167 -11.525 -12.368 424 HD3 LYS 53 3HD LYS 53 18.283 -9.915 -13.087 425 HE2 LYS 53 2HE LYS 53 20.255 -11.257 -13.646 426 HE3 LYS 53 3HE LYS 53 20.725 -9.903 -12.616 427 HZ1 LYS 53 3HZ LYS 53 20.236 -12.669 -11.647 428 HZ2 LYS 53 1HZ LYS 53 20.826 -11.366 -10.739 429 HZ3 LYS 53 2HZ LYS 53 21.765 -12.021 -11.980 430 H TRP 54 H TRP 54 15.675 -10.307 -6.889 431 HA TRP 54 HA TRP 54 13.032 -10.693 -7.788 432 HB2 TRP 54 2HB TRP 54 14.012 -11.846 -5.778 433 HB3 TRP 54 3HB TRP 54 13.916 -10.334 -4.889 434 HD1 TRP 54 HD1 TRP 54 11.382 -9.460 -4.232 435 HE1 TRP 54 HE1 TRP 54 9.168 -10.730 -4.001 436 HE3 TRP 54 HE3 TRP 54 12.659 -13.792 -6.638 437 HZ2 TRP 54 HZ2 TRP 54 8.104 -13.220 -4.697 438 HZ3 TRP 54 HZ3 TRP 54 10.971 -15.575 -6.803 439 HH2 TRP 54 HH2 TRP 54 8.740 -15.293 -5.852 440 H SER 55 H SER 55 11.244 -9.468 -7.679 441 HA SER 55 HA SER 55 11.035 -7.067 -6.090 442 HB2 SER 55 2HB SER 55 10.343 -5.679 -8.061 443 HB3 SER 55 3HB SER 55 12.033 -6.137 -8.112 444 HG SER 55 HG SER 55 11.152 -8.008 -9.433 445 H LEU 56 H LEU 56 8.906 -6.680 -5.546 446 HA LEU 56 HA LEU 56 6.824 -8.435 -6.722 447 HB2 LEU 56 2HB LEU 56 7.603 -8.737 -4.199 448 HB3 LEU 56 3HB LEU 56 6.661 -7.291 -3.909 449 HG LEU 56 HG LEU 56 5.441 -9.397 -3.347 450 HD11 LEU 56 1HD1 LEU 56 4.094 -7.430 -3.912 451 HD12 LEU 56 2HD1 LEU 56 3.297 -8.912 -4.428 452 HD13 LEU 56 3HD1 LEU 56 4.101 -7.886 -5.618 453 HD21 LEU 56 3HD2 LEU 56 5.566 -10.023 -6.315 454 HD22 LEU 56 1HD2 LEU 56 4.666 -10.933 -5.098 455 HD23 LEU 56 2HD2 LEU 56 6.425 -10.878 -5.033 456 H THR 57 H THR 57 5.157 -7.357 -7.651 457 HA THR 57 HA THR 57 4.909 -4.427 -7.232 458 HB THR 57 HB THR 57 4.019 -6.069 -9.663 459 HG1 THR 57 HG1 THR 57 6.310 -4.388 -9.308 460 HG21 THR 57 3HG2 THR 57 2.736 -3.970 -9.384 461 HG22 THR 57 1HG2 THR 57 3.814 -3.872 -10.776 462 HG23 THR 57 2HG2 THR 57 4.242 -3.053 -9.273 463 H GLN 58 H GLN 58 3.125 -3.794 -6.209 464 HA GLN 58 HA GLN 58 0.595 -5.305 -6.378 465 HB2 GLN 58 2HB GLN 58 2.024 -5.663 -4.168 466 HB3 GLN 58 3HB GLN 58 1.524 -4.029 -3.769 467 HG2 GLN 58 2HG GLN 58 0.029 -5.462 -2.643 468 HG3 GLN 58 3HG GLN 58 -0.881 -4.830 -4.013 469 HE21 GLN 58 1HE2 GLN 58 1.538 -7.432 -4.164 470 HE22 GLN 58 2HE2 GLN 58 0.432 -8.677 -4.608 471 H THR 59 H THR 59 -1.223 -3.901 -6.433 472 HA THR 59 HA THR 59 -0.587 -1.067 -7.026 473 HB THR 59 HB THR 59 -3.077 -2.663 -7.816 474 HG1 THR 59 HG1 THR 59 -0.684 -3.036 -8.718 475 HG21 THR 59 3HG2 THR 59 -3.408 -0.197 -7.855 476 HG22 THR 59 1HG2 THR 59 -3.420 -0.879 -9.482 477 HG23 THR 59 2HG2 THR 59 -1.992 -0.024 -8.897 478 H PHE 60 H PHE 60 -1.234 0.485 -5.520 479 HA PHE 60 HA PHE 60 -3.232 0.035 -3.506 480 HB2 PHE 60 2HB PHE 60 -1.934 2.576 -4.570 481 HB3 PHE 60 3HB PHE 60 -3.277 2.668 -3.439 482 HD1 PHE 60 HD2 PHE 60 -3.021 1.173 -1.262 483 HD2 PHE 60 HD1 PHE 60 0.229 2.572 -3.654 484 HE1 PHE 60 HE2 PHE 60 -1.494 0.897 0.644 485 HE2 PHE 60 HE1 PHE 60 1.752 2.287 -1.744 486 HZ PHE 60 HZ PHE 60 0.890 1.451 0.401 487 H GLU 61 H GLU 61 -5.284 -0.296 -3.970 488 HA GLU 61 HA GLU 61 -6.933 1.424 -5.528 489 HB2 GLU 61 2HB GLU 61 -7.622 -0.184 -7.275 490 HB3 GLU 61 3HB GLU 61 -5.908 0.192 -7.428 491 HG2 GLU 61 2HG GLU 61 -5.258 -1.938 -6.507 492 HG3 GLU 61 3HG GLU 61 -6.912 -2.297 -6.003 493 H ALA 62 H ALA 62 -9.111 -0.204 -5.994 494 HA ALA 62 HA ALA 62 -10.946 -1.120 -5.045 495 HB1 ALA 62 3HB ALA 62 -9.488 -3.123 -4.937 496 HB2 ALA 62 1HB ALA 62 -10.655 -3.092 -3.612 497 HB3 ALA 62 2HB ALA 62 -8.972 -2.650 -3.320 498 H LEU 63 H LEU 63 -9.597 1.301 -3.784 499 HA LEU 63 HA LEU 63 -10.722 1.185 -1.058 500 HB2 LEU 63 2HB LEU 63 -8.200 1.273 -1.190 501 HB3 LEU 63 3HB LEU 63 -8.340 2.835 -1.985 502 HG LEU 63 HG LEU 63 -9.489 3.735 0.058 503 HD11 LEU 63 1HD1 LEU 63 -10.424 1.673 0.963 504 HD12 LEU 63 2HD1 LEU 63 -9.418 2.471 2.168 505 HD13 LEU 63 3HD1 LEU 63 -8.805 1.055 1.309 506 HD21 LEU 63 3HD2 LEU 63 -7.097 4.092 -0.252 507 HD22 LEU 63 1HD2 LEU 63 -6.735 2.556 0.539 508 HD23 LEU 63 2HD2 LEU 63 -7.463 3.878 1.456 509 HA PRO 64 HA PRO 64 -13.039 4.552 -3.106 510 HB2 PRO 64 2HB PRO 64 -15.479 3.872 -2.236 511 HB3 PRO 64 3HB PRO 64 -14.625 2.806 -3.374 512 HG2 PRO 64 2HG PRO 64 -15.050 2.482 -0.438 513 HG3 PRO 64 3HG PRO 64 -15.010 1.250 -1.718 514 HD2 PRO 64 2HD PRO 64 -12.845 2.004 -0.013 515 HD3 PRO 64 3HD PRO 64 -12.770 0.925 -1.421 516 H SER 65 H SER 65 -15.298 5.561 -1.532 517 HA SER 65 HA SER 65 -14.198 6.597 0.974 518 HB2 SER 65 2HB SER 65 -14.500 8.965 0.260 519 HB3 SER 65 3HB SER 65 -13.317 8.147 -0.763 520 HG SER 65 HG SER 65 -15.022 7.813 -2.282 521 HA PRO 66 HA PRO 66 -18.587 6.331 2.185 522 HB2 PRO 66 2HB PRO 66 -18.639 8.406 4.074 523 HB3 PRO 66 3HB PRO 66 -18.052 6.770 4.412 524 HG2 PRO 66 2HG PRO 66 -16.478 9.221 3.688 525 HG3 PRO 66 3HG PRO 66 -16.154 8.002 4.947 526 HD2 PRO 66 2HD PRO 66 -14.823 7.897 2.649 527 HD3 PRO 66 3HD PRO 66 -15.415 6.395 3.397 528 H VAL 67 H VAL 67 -20.325 7.115 1.038 529 HA VAL 67 HA VAL 67 -20.153 9.620 -0.422 530 HB VAL 67 HB VAL 67 -22.521 7.689 -0.164 531 HG11 VAL 67 1HG1 VAL 67 -23.264 9.934 -0.848 532 HG12 VAL 67 2HG1 VAL 67 -23.422 8.804 -2.191 533 HG13 VAL 67 3HG1 VAL 67 -22.082 9.955 -2.159 534 HG21 VAL 67 3HG2 VAL 67 -20.545 6.613 -1.180 535 HG22 VAL 67 1HG2 VAL 67 -20.431 7.904 -2.375 536 HG23 VAL 67 2HG2 VAL 67 -21.823 6.817 -2.374 537 H ILE 68 H ILE 68 -20.336 11.415 0.736 538 HA ILE 68 HA ILE 68 -22.210 11.660 2.999 539 HB ILE 68 HB ILE 68 -19.969 13.518 2.026 540 HG12 ILE 68 2HG1 ILE 68 -20.052 11.629 4.432 541 HG13 ILE 68 3HG1 ILE 68 -19.099 11.395 2.972 542 HG21 ILE 68 1HG2 ILE 68 -21.674 13.725 4.544 543 HG22 ILE 68 2HG2 ILE 68 -21.731 14.808 3.153 544 HG23 ILE 68 3HG2 ILE 68 -20.286 14.751 4.157 545 HD11 ILE 68 3HD1 ILE 68 -17.764 13.357 3.525 546 HD12 ILE 68 1HD1 ILE 68 -17.747 12.161 4.822 547 HD13 ILE 68 2HD1 ILE 68 -18.736 13.615 4.977 548 H ILE 69 H ILE 69 -23.890 12.965 2.941 549 HA ILE 69 HA ILE 69 -25.119 13.549 0.458 550 HB ILE 69 HB ILE 69 -25.898 13.988 3.373 551 HG12 ILE 69 2HG1 ILE 69 -27.475 12.155 3.068 552 HG13 ILE 69 3HG1 ILE 69 -27.134 12.016 1.359 553 HG21 ILE 69 1HG2 ILE 69 -27.024 15.737 2.102 554 HG22 ILE 69 2HG2 ILE 69 -28.201 14.538 2.627 555 HG23 ILE 69 3HG2 ILE 69 -27.646 14.552 0.951 556 HD11 ILE 69 3HD1 ILE 69 -25.306 11.295 3.657 557 HD12 ILE 69 1HD1 ILE 69 -24.919 11.111 1.945 558 HD13 ILE 69 2HD1 ILE 69 -26.232 10.177 2.659 559 H GLY 70 H GLY 70 -24.881 15.339 -0.677 560 HA2 GLY 70 2HA GLY 70 -24.779 17.555 -1.255 561 HA3 GLY 70 3HA GLY 70 -24.747 17.991 0.447 562 H TYR 71 H TYR 71 -22.412 15.658 -0.410 563 HA TYR 71 HA TYR 71 -20.310 17.630 -1.047 564 HB2 TYR 71 2HB TYR 71 -20.161 15.575 1.204 565 HB3 TYR 71 3HB TYR 71 -18.755 16.413 0.559 566 HD1 TYR 71 HD1 TYR 71 -18.483 18.881 0.921 567 HD2 TYR 71 HD2 TYR 71 -21.694 16.712 2.727 568 HE1 TYR 71 HE1 TYR 71 -18.847 20.727 2.501 569 HE2 TYR 71 HE2 TYR 71 -22.040 18.548 4.309 570 HH TYR 71 HH TYR 71 -20.447 21.615 3.967 571 H THR 72 H THR 72 -18.382 16.637 -1.932 572 HA THR 72 HA THR 72 -18.421 13.834 -2.678 573 HB THR 72 HB THR 72 -18.356 16.013 -4.839 574 HG1 THR 72 HG1 THR 72 -20.266 14.179 -3.947 575 HG21 THR 72 3HG2 THR 72 -18.124 14.166 -6.475 576 HG22 THR 72 1HG2 THR 72 -18.022 12.992 -5.156 577 HG23 THR 72 2HG2 THR 72 -16.745 14.189 -5.382 578 H ALA 73 H ALA 73 -16.416 13.091 -2.422 579 HA ALA 73 HA ALA 73 -14.237 14.646 -1.571 580 HB1 ALA 73 3HB ALA 73 -12.943 12.539 -1.775 581 HB2 ALA 73 1HB ALA 73 -14.290 11.805 -2.643 582 HB3 ALA 73 2HB ALA 73 -14.486 12.292 -0.957 583 H ASP 74 H ASP 74 -12.236 15.080 -2.605 584 HA ASP 74 HA ASP 74 -12.385 16.037 -5.298 585 HB2 ASP 74 2HB ASP 74 -10.928 17.073 -3.564 586 HB3 ASP 74 3HB ASP 74 -9.956 15.610 -3.493 587 H LYS 75 H LYS 75 -11.196 13.171 -3.744 588 HA LYS 75 HA LYS 75 -11.252 11.759 -6.298 589 HB2 LYS 75 2HB LYS 75 -9.397 10.236 -5.533 590 HB3 LYS 75 3HB LYS 75 -8.877 11.863 -5.917 591 HG2 LYS 75 2HG LYS 75 -9.354 10.951 -3.064 592 HG3 LYS 75 3HG LYS 75 -7.806 10.735 -3.874 593 HD2 LYS 75 2HD LYS 75 -9.185 13.400 -3.348 594 HD3 LYS 75 3HD LYS 75 -7.828 12.746 -2.431 595 HE2 LYS 75 2HE LYS 75 -7.758 13.463 -5.377 596 HE3 LYS 75 3HE LYS 75 -7.141 14.472 -4.072 597 HZ1 LYS 75 3HZ LYS 75 -5.477 12.917 -3.594 598 HZ2 LYS 75 1HZ LYS 75 -5.470 13.114 -5.271 599 HZ3 LYS 75 2HZ LYS 75 -6.156 11.734 -4.586 600 HA PRO 76 HA PRO 76 -14.271 9.685 -3.458 601 HB2 PRO 76 2HB PRO 76 -15.881 8.747 -5.467 602 HB3 PRO 76 3HB PRO 76 -15.974 10.424 -4.893 603 HG2 PRO 76 2HG PRO 76 -14.515 9.342 -7.282 604 HG3 PRO 76 3HG PRO 76 -15.593 10.755 -7.177 605 HD2 PRO 76 2HD PRO 76 -12.915 11.033 -7.133 606 HD3 PRO 76 3HD PRO 76 -13.965 12.093 -6.169 607 H MET 77 H MET 77 -12.081 8.682 -5.816 608 HA MET 77 HA MET 77 -11.917 5.977 -4.715 609 HB2 MET 77 2HB MET 77 -13.097 5.768 -6.893 610 HB3 MET 77 3HB MET 77 -11.839 6.708 -7.687 611 HG2 MET 77 2HG MET 77 -11.613 4.303 -8.130 612 HG3 MET 77 3HG MET 77 -10.211 4.949 -7.267 613 HE1 MET 77 3HE MET 77 -10.610 1.831 -7.367 614 HE2 MET 77 1HE MET 77 -10.311 1.429 -5.677 615 HE3 MET 77 2HE MET 77 -9.334 2.662 -6.474 616 H VAL 78 H VAL 78 -9.859 5.662 -4.013 617 HA VAL 78 HA VAL 78 -7.811 7.612 -4.346 618 HB VAL 78 HB VAL 78 -7.573 4.727 -3.345 619 HG11 VAL 78 1HG1 VAL 78 -5.611 7.042 -3.013 620 HG12 VAL 78 2HG1 VAL 78 -5.366 5.605 -4.004 621 HG13 VAL 78 3HG1 VAL 78 -5.459 5.453 -2.251 622 HG21 VAL 78 3HG2 VAL 78 -7.695 5.728 -1.067 623 HG22 VAL 78 1HG2 VAL 78 -9.161 6.043 -1.996 624 HG23 VAL 78 2HG2 VAL 78 -7.964 7.320 -1.780 625 H GLY 79 H GLY 79 -6.486 7.903 -5.998 626 HA2 GLY 79 2HA GLY 79 -6.772 6.771 -8.500 627 HA3 GLY 79 3HA GLY 79 -5.392 7.722 -7.978 628 HA PRO 80 HA PRO 80 -4.607 2.931 -7.611 629 HB2 PRO 80 2HB PRO 80 -4.968 1.638 -9.997 630 HB3 PRO 80 3HB PRO 80 -6.267 1.839 -8.804 631 HG2 PRO 80 2HG PRO 80 -5.740 3.415 -11.301 632 HG3 PRO 80 3HG PRO 80 -7.281 2.821 -10.636 633 HD2 PRO 80 2HD PRO 80 -6.435 5.408 -10.319 634 HD3 PRO 80 3HD PRO 80 -7.479 4.578 -9.149 635 H ASP 81 H ASP 81 -2.462 2.548 -7.554 636 HA ASP 81 HA ASP 81 -0.818 3.054 -9.956 637 HB2 ASP 81 2HB ASP 81 0.768 4.487 -8.956 638 HB3 ASP 81 3HB ASP 81 -0.771 5.140 -8.420 639 H GLU 82 H GLU 82 0.733 1.645 -10.249 640 HA GLU 82 HA GLU 82 0.916 -0.706 -8.540 641 HB2 GLU 82 2HB GLU 82 2.319 -0.104 -11.178 642 HB3 GLU 82 3HB GLU 82 2.389 -1.639 -10.320 643 HG2 GLU 82 2HG GLU 82 -0.197 -1.637 -10.533 644 HG3 GLU 82 3HG GLU 82 0.052 -0.376 -11.739 645 H VAL 83 H VAL 83 2.064 -0.345 -6.715 646 HA VAL 83 HA VAL 83 4.681 0.935 -6.685 647 HB VAL 83 HB VAL 83 3.181 -0.619 -4.509 648 HG11 VAL 83 1HG1 VAL 83 5.588 -0.604 -4.056 649 HG12 VAL 83 2HG1 VAL 83 4.748 0.429 -2.904 650 HG13 VAL 83 3HG1 VAL 83 5.650 1.151 -4.241 651 HG21 VAL 83 3HG2 VAL 83 3.393 2.388 -4.940 652 HG22 VAL 83 1HG2 VAL 83 2.598 1.593 -3.578 653 HG23 VAL 83 2HG2 VAL 83 1.962 1.393 -5.209 654 H THR 84 H THR 84 6.615 -0.166 -6.849 655 HA THR 84 HA THR 84 6.643 -3.125 -6.685 656 HB THR 84 HB THR 84 8.446 -1.381 -8.438 657 HG1 THR 84 HG1 THR 84 6.314 -1.483 -9.232 658 HG21 THR 84 3HG2 THR 84 9.188 -3.516 -9.423 659 HG22 THR 84 1HG2 THR 84 8.152 -4.416 -8.304 660 HG23 THR 84 2HG2 THR 84 9.528 -3.492 -7.697 661 H VAL 85 H VAL 85 7.550 -3.625 -4.788 662 HA VAL 85 HA VAL 85 9.921 -2.174 -3.775 663 HB VAL 85 HB VAL 85 8.178 -4.318 -2.428 664 HG11 VAL 85 1HG1 VAL 85 10.485 -2.701 -1.256 665 HG12 VAL 85 2HG1 VAL 85 10.490 -4.431 -1.607 666 HG13 VAL 85 3HG1 VAL 85 9.427 -3.796 -0.356 667 HG21 VAL 85 3HG2 VAL 85 7.389 -2.476 -0.969 668 HG22 VAL 85 1HG2 VAL 85 6.979 -2.196 -2.661 669 HG23 VAL 85 2HG2 VAL 85 8.318 -1.315 -1.922 670 H ASP 86 H ASP 86 11.801 -2.989 -4.536 671 HA ASP 86 HA ASP 86 12.082 -5.738 -5.459 672 HB2 ASP 86 2HB ASP 86 14.072 -3.432 -5.294 673 HB3 ASP 86 3HB ASP 86 14.496 -5.045 -5.870 674 H SER 87 H SER 87 14.114 -6.879 -4.735 675 HA SER 87 HA SER 87 14.206 -7.308 -1.908 676 HB2 SER 87 2HB SER 87 16.153 -8.832 -2.570 677 HB3 SER 87 3HB SER 87 14.627 -9.165 -3.385 678 HG SER 87 HG SER 87 15.929 -9.084 -5.070 679 H LYS 88 H LYS 88 15.849 -5.177 -4.062 680 HA LYS 88 HA LYS 88 18.228 -4.638 -2.535 681 HB2 LYS 88 2HB LYS 88 16.953 -2.868 -4.675 682 HB3 LYS 88 3HB LYS 88 18.578 -2.705 -4.036 683 HG2 LYS 88 2HG LYS 88 18.889 -3.698 -6.135 684 HG3 LYS 88 3HG LYS 88 19.024 -5.056 -5.015 685 HD2 LYS 88 2HD LYS 88 16.757 -5.779 -5.537 686 HD3 LYS 88 3HD LYS 88 16.468 -4.331 -6.502 687 HE2 LYS 88 2HE LYS 88 18.498 -6.482 -7.166 688 HE3 LYS 88 3HE LYS 88 16.894 -6.342 -7.886 689 HZ1 LYS 88 3HZ LYS 88 18.631 -5.387 -9.265 690 HZ2 LYS 88 1HZ LYS 88 19.021 -4.284 -8.044 691 HZ3 LYS 88 2HZ LYS 88 17.506 -4.217 -8.794 692 H ASN 89 H ASN 89 15.244 -2.782 -3.156 693 HA ASN 89 HA ASN 89 15.749 -1.010 -0.853 694 HB2 ASN 89 2HB ASN 89 14.096 0.529 -1.844 695 HB3 ASN 89 3HB ASN 89 15.368 0.157 -2.997 696 HD21 ASN 89 1HD2 ASN 89 12.681 1.164 -3.487 697 HD22 ASN 89 2HD2 ASN 89 11.924 0.035 -4.549 698 H PHE 90 H PHE 90 14.877 -3.732 -0.563 699 HA PHE 90 HA PHE 90 12.199 -4.254 -0.192 700 HB2 PHE 90 2HB PHE 90 13.860 -6.028 -0.026 701 HB3 PHE 90 3HB PHE 90 14.659 -5.241 1.311 702 HD1 PHE 90 HD1 PHE 90 11.221 -6.561 0.453 703 HD2 PHE 90 HD2 PHE 90 14.268 -6.170 3.431 704 HE1 PHE 90 HE1 PHE 90 9.886 -7.895 2.021 705 HE2 PHE 90 HE2 PHE 90 12.905 -7.494 4.996 706 HZ PHE 90 HZ PHE 90 10.716 -8.360 4.287 707 H LEU 91 H LEU 91 14.481 -2.694 1.919 708 HA LEU 91 HA LEU 91 12.893 -3.047 4.294 709 HB2 LEU 91 2HB LEU 91 15.585 -1.670 3.995 710 HB3 LEU 91 3HB LEU 91 14.899 -2.407 5.440 711 HG LEU 91 HG LEU 91 14.986 -4.634 3.907 712 HD11 LEU 91 1HD1 LEU 91 17.161 -2.937 2.673 713 HD12 LEU 91 2HD1 LEU 91 15.789 -3.705 1.876 714 HD13 LEU 91 3HD1 LEU 91 17.068 -4.697 2.547 715 HD21 LEU 91 3HD2 LEU 91 17.069 -5.252 4.861 716 HD22 LEU 91 1HD2 LEU 91 16.078 -4.398 6.036 717 HD23 LEU 91 2HD2 LEU 91 17.433 -3.571 5.267 718 H ASP 92 H ASP 92 13.650 -0.597 1.975 719 HA ASP 92 HA ASP 92 12.962 1.718 3.520 720 HB2 ASP 92 2HB ASP 92 12.926 1.391 0.475 721 HB3 ASP 92 3HB ASP 92 12.970 2.915 1.362 722 H LYS 93 H LYS 93 10.943 2.009 4.253 723 HA LYS 93 HA LYS 93 8.617 0.955 2.854 724 HB2 LYS 93 2HB LYS 93 7.347 1.684 4.832 725 HB3 LYS 93 3HB LYS 93 8.695 0.654 5.276 726 HG2 LYS 93 2HG LYS 93 9.970 2.672 5.958 727 HG3 LYS 93 3HG LYS 93 8.566 3.668 5.580 728 HD2 LYS 93 2HD LYS 93 7.245 2.339 7.275 729 HD3 LYS 93 3HD LYS 93 8.743 1.517 7.725 730 HE2 LYS 93 2HE LYS 93 9.726 3.693 8.381 731 HE3 LYS 93 3HE LYS 93 8.221 4.501 7.933 732 HZ1 LYS 93 3HZ LYS 93 7.086 3.121 9.611 733 HZ2 LYS 93 1HZ LYS 93 8.255 4.147 10.278 734 HZ3 LYS 93 2HZ LYS 93 8.584 2.500 10.093 735 H GLN 94 H GLN 94 8.021 2.104 1.188 736 HA GLN 94 HA GLN 94 8.300 5.023 1.061 737 HB2 GLN 94 2HB GLN 94 7.687 4.745 -1.342 738 HB3 GLN 94 3HB GLN 94 9.113 3.834 -0.873 739 HG2 GLN 94 2HG GLN 94 7.826 1.754 -0.840 740 HG3 GLN 94 3HG GLN 94 6.345 2.637 -1.210 741 HE21 GLN 94 1HE2 GLN 94 9.334 1.392 -2.491 742 HE22 GLN 94 2HE2 GLN 94 8.971 1.656 -4.159 743 H ASN 95 H ASN 95 6.536 4.299 2.961 744 HA ASN 95 HA ASN 95 3.805 4.200 2.293 745 HB2 ASN 95 2HB ASN 95 3.413 4.867 4.632 746 HB3 ASN 95 3HB ASN 95 4.664 3.641 4.542 747 HD21 ASN 95 1HD2 ASN 95 3.992 6.992 5.175 748 HD22 ASN 95 2HD2 ASN 95 5.484 7.363 5.961 749 H ARG 96 H ARG 96 2.215 5.976 2.677 750 HA ARG 96 HA ARG 96 3.075 8.698 2.168 751 HB2 ARG 96 2HB ARG 96 3.309 7.546 -0.063 752 HB3 ARG 96 3HB ARG 96 1.594 7.167 -0.018 753 HG2 ARG 96 2HG ARG 96 1.042 9.565 -0.060 754 HG3 ARG 96 3HG ARG 96 2.762 9.972 -0.059 755 HD2 ARG 96 2HD ARG 96 3.025 8.793 -2.232 756 HD3 ARG 96 3HD ARG 96 1.296 8.432 -2.231 757 HE ARG 96 HE ARG 96 1.628 11.213 -1.965 758 HH11 ARG 96 1HH1 ARG 96 2.121 8.721 -4.408 759 HH12 ARG 96 2HH1 ARG 96 1.887 9.812 -5.734 760 HH21 ARG 96 2HH2 ARG 96 1.341 12.625 -3.719 761 HH22 ARG 96 1HH2 ARG 96 1.447 12.024 -5.338 762 H GLU 97 H GLU 97 1.390 10.171 2.524 763 HA GLU 97 HA GLU 97 -1.164 9.085 3.511 764 HB2 GLU 97 2HB GLU 97 0.083 10.721 4.915 765 HB3 GLU 97 3HB GLU 97 -0.003 11.916 3.623 766 HG2 GLU 97 2HG GLU 97 -2.458 11.957 3.818 767 HG3 GLU 97 3HG GLU 97 -2.389 10.746 5.096 768 H GLU 98 H GLU 98 -3.119 9.579 2.508 769 HA GLU 98 HA GLU 98 -3.205 11.461 0.255 770 HB2 GLU 98 2HB GLU 98 -3.070 9.198 -0.728 771 HB3 GLU 98 3HB GLU 98 -4.389 8.647 0.290 772 HG2 GLU 98 2HG GLU 98 -5.110 9.037 -2.028 773 HG3 GLU 98 3HG GLU 98 -5.975 10.060 -0.885 774 H THR 99 H THR 99 -4.441 13.040 1.129 775 HA THR 99 HA THR 99 -6.811 12.377 2.746 776 HB THR 99 HB THR 99 -5.424 15.064 2.277 777 HG1 THR 99 HG1 THR 99 -4.200 13.588 3.509 778 HG21 THR 99 3HG2 THR 99 -7.839 15.336 2.838 779 HG22 THR 99 1HG2 THR 99 -6.796 15.900 4.143 780 HG23 THR 99 2HG2 THR 99 -7.612 14.339 4.276 781 H VAL 100 H VAL 100 -8.768 12.371 1.771 782 HA VAL 100 HA VAL 100 -9.153 13.617 -0.852 783 HB VAL 100 HB VAL 100 -11.095 12.302 -1.136 784 HG11 VAL 100 1HG1 VAL 100 -10.488 9.965 -0.598 785 HG12 VAL 100 2HG1 VAL 100 -9.263 10.532 0.540 786 HG13 VAL 100 3HG1 VAL 100 -9.092 10.874 -1.181 787 HG21 VAL 100 3HG2 VAL 100 -12.278 12.856 0.924 788 HG22 VAL 100 1HG2 VAL 100 -11.205 11.815 1.863 789 HG23 VAL 100 2HG2 VAL 100 -12.305 11.113 0.672 790 H ILE 101 H ILE 101 -10.683 15.310 -1.179 791 HA ILE 101 HA ILE 101 -11.551 16.731 1.298 792 HB ILE 101 HB ILE 101 -10.671 17.938 -1.375 793 HG12 ILE 101 2HG1 ILE 101 -8.742 17.175 -0.049 794 HG13 ILE 101 3HG1 ILE 101 -8.794 18.931 -0.039 795 HG21 ILE 101 1HG2 ILE 101 -12.489 19.268 -0.423 796 HG22 ILE 101 2HG2 ILE 101 -10.968 20.147 -0.273 797 HG23 ILE 101 3HG2 ILE 101 -11.666 19.343 1.137 798 HD11 ILE 101 3HD1 ILE 101 -9.656 17.105 2.208 799 HD12 ILE 101 1HD1 ILE 101 -9.746 18.868 2.231 800 HD13 ILE 101 2HD1 ILE 101 -8.179 18.066 2.140 801 H TYR 102 H TYR 102 -13.624 16.270 1.518 802 HA TYR 102 HA TYR 102 -15.573 15.988 -0.541 803 HB2 TYR 102 2HB TYR 102 -15.811 16.292 2.481 804 HB3 TYR 102 3HB TYR 102 -17.208 16.091 1.427 805 HD1 TYR 102 HD1 TYR 102 -17.572 13.969 0.212 806 HD2 TYR 102 HD2 TYR 102 -14.351 14.402 2.988 807 HE1 TYR 102 HE1 TYR 102 -17.289 11.536 0.275 808 HE2 TYR 102 HE2 TYR 102 -14.086 11.968 3.045 809 HH TYR 102 HH TYR 102 -15.789 9.897 0.857 810 H SER 103 H SER 103 -16.251 17.676 -1.710 811 HA SER 103 HA SER 103 -16.212 20.383 -0.558 812 HB2 SER 103 2HB SER 103 -16.015 21.009 -3.093 813 HB3 SER 103 3HB SER 103 -14.583 20.374 -2.288 814 HG SER 103 HG SER 103 -14.860 18.440 -3.275 815 H ALA 104 H ALA 104 -18.065 21.580 -0.788 816 HA ALA 104 HA ALA 104 -20.564 20.334 -0.845 817 HB1 ALA 104 3HB ALA 104 -21.502 22.619 -0.843 818 HB2 ALA 104 1HB ALA 104 -19.916 23.277 -1.259 819 HB3 ALA 104 2HB ALA 104 -20.159 22.474 0.292 820 H ASN 105 H ASN 105 -21.251 19.247 -2.583 821 HA ASN 105 HA ASN 105 -20.477 19.899 -5.289 822 HB2 ASN 105 2HB ASN 105 -21.699 17.802 -5.872 823 HB3 ASN 105 3HB ASN 105 -20.517 17.560 -4.595 824 HD21 ASN 105 1HD2 ASN 105 -21.722 15.613 -4.139 825 HD22 ASN 105 2HD2 ASN 105 -23.149 15.673 -3.178 826 H THR 106 H THR 106 -22.506 19.288 -6.917 827 HA THR 106 HA THR 106 -24.102 21.650 -6.932 828 HB THR 106 HB THR 106 -23.291 20.511 -9.012 829 HG1 THR 106 HG1 THR 106 -24.841 21.840 -9.606 830 HG21 THR 106 3HG2 THR 106 -23.780 18.151 -8.409 831 HG22 THR 106 1HG2 THR 106 -24.548 18.602 -9.933 832 HG23 THR 106 2HG2 THR 106 -25.509 18.504 -8.459 833 H ILE 107 H ILE 107 -24.626 18.539 -5.509 834 HA ILE 107 HA ILE 107 -27.469 18.370 -5.663 835 HB ILE 107 HB ILE 107 -25.652 17.106 -3.562 836 HG12 ILE 107 2HG1 ILE 107 -26.589 15.865 -6.196 837 HG13 ILE 107 3HG1 ILE 107 -24.988 16.552 -5.940 838 HG21 ILE 107 1HG2 ILE 107 -27.461 15.436 -3.286 839 HG22 ILE 107 2HG2 ILE 107 -28.455 16.309 -4.455 840 HG23 ILE 107 3HG2 ILE 107 -28.027 17.067 -2.919 841 HD11 ILE 107 3HD1 ILE 107 -26.142 14.204 -4.453 842 HD12 ILE 107 1HD1 ILE 107 -24.532 14.893 -4.230 843 HD13 ILE 107 2HD1 ILE 107 -24.965 14.138 -5.764 844 H THR 108 H THR 108 -25.242 19.501 -3.106 845 HA THR 108 HA THR 108 -27.313 20.366 -1.317 846 HB THR 108 HB THR 108 -25.051 19.769 -0.500 847 HG1 THR 108 HG1 THR 108 -25.023 21.314 1.064 848 HG21 THR 108 3HG2 THR 108 -23.656 20.723 -2.269 849 HG22 THR 108 1HG2 THR 108 -23.190 21.383 -0.701 850 HG23 THR 108 2HG2 THR 108 -24.157 22.351 -1.811 851 H GLN 109 H GLN 109 -26.090 21.661 -4.182 852 HA GLN 109 HA GLN 109 -27.018 24.414 -3.660 853 HB2 GLN 109 2HB GLN 109 -25.684 23.261 -6.146 854 HB3 GLN 109 3HB GLN 109 -25.950 24.969 -5.791 855 HG2 GLN 109 2HG GLN 109 -24.347 24.879 -3.949 856 HG3 GLN 109 3HG GLN 109 -24.175 23.134 -4.150 857 HE21 GLN 109 1HE2 GLN 109 -22.002 23.147 -4.572 858 HE22 GLN 109 2HE2 GLN 109 -21.292 23.826 -5.993 859 H ASN 110 H ASN 110 -28.225 25.350 -5.663 860 HA ASN 110 HA ASN 110 -29.924 25.471 -7.168 861 HB2 ASN 110 2HB ASN 110 -29.609 22.456 -7.461 862 HB3 ASN 110 3HB ASN 110 -30.502 23.501 -8.559 863 HD21 ASN 110 1HD2 ASN 110 -27.392 22.354 -7.589 864 HD22 ASN 110 2HD2 ASN 110 -26.492 23.089 -8.867 865 H LYS 111 H LYS 111 -30.342 24.297 -4.232 866 HA LYS 111 HA LYS 111 -31.998 23.739 -2.822 867 HB2 LYS 111 2HB LYS 111 -33.797 24.624 -5.095 868 HB3 LYS 111 3HB LYS 111 -34.407 24.171 -3.510 869 HG2 LYS 111 2HG LYS 111 -33.293 26.052 -2.471 870 HG3 LYS 111 3HG LYS 111 -32.435 26.427 -3.968 871 HD2 LYS 111 2HD LYS 111 -34.332 27.973 -3.601 872 HD3 LYS 111 3HD LYS 111 -34.545 27.025 -5.075 873 HE2 LYS 111 2HE LYS 111 -36.078 25.505 -3.861 874 HE3 LYS 111 3HE LYS 111 -35.874 26.474 -2.399 875 HZ1 LYS 111 3HZ LYS 111 -36.811 28.366 -3.623 876 HZ2 LYS 111 1HZ LYS 111 -37.894 27.073 -3.512 877 HZ3 LYS 111 2HZ LYS 111 -37.078 27.371 -4.959 878 H LYS 112 H LYS 112 -33.928 22.207 -2.506 879 HA LYS 112 HA LYS 112 -33.555 19.741 -4.088 880 HB2 LYS 112 2HB LYS 112 -34.735 18.607 -2.224 881 HB3 LYS 112 3HB LYS 112 -33.281 19.438 -1.694 882 HG2 LYS 112 2HG LYS 112 -34.693 21.286 -0.805 883 HG3 LYS 112 3HG LYS 112 -36.136 20.399 -1.303 884 HD2 LYS 112 2HD LYS 112 -35.521 18.556 0.246 885 HD3 LYS 112 3HD LYS 112 -34.091 19.463 0.749 886 HE2 LYS 112 2HE LYS 112 -35.568 21.286 1.574 887 HE3 LYS 112 3HE LYS 112 -36.980 20.329 1.121 888 HZ1 LYS 112 3HZ LYS 112 -34.923 19.520 3.103 889 HZ2 LYS 112 1HZ LYS 112 -36.332 18.660 2.722 890 HZ3 LYS 112 2HZ LYS 112 -36.437 20.168 3.477 891 H ASP 113 H ASP 113 -36.077 21.928 -2.919 892 HA ASP 113 HA ASP 113 -38.225 20.635 -4.325 893 HB2 ASP 113 2HB ASP 113 -38.174 23.319 -2.899 894 HB3 ASP 113 3HB ASP 113 -39.618 22.497 -3.493 895 H GLY 114 H GLY 114 -37.905 20.683 -6.467 896 HA2 GLY 114 2HA GLY 114 -37.115 23.082 -7.942 897 HA3 GLY 114 3HA GLY 114 -37.429 21.482 -8.599 898 H LEU 115 H LEU 115 -39.973 22.268 -6.616 899 HA LEU 115 HA LEU 115 -41.886 22.463 -8.695 900 HB2 LEU 115 2HB LEU 115 -42.171 23.097 -5.729 901 HB3 LEU 115 3HB LEU 115 -43.511 22.882 -6.848 902 HG LEU 115 HG LEU 115 -41.520 20.731 -6.023 903 HD11 LEU 115 1HD1 LEU 115 -43.051 21.276 -4.203 904 HD12 LEU 115 2HD1 LEU 115 -43.407 19.677 -4.845 905 HD13 LEU 115 3HD1 LEU 115 -44.445 21.041 -5.263 906 HD21 LEU 115 3HD2 LEU 115 -42.957 19.144 -7.265 907 HD22 LEU 115 1HD2 LEU 115 -42.229 20.346 -8.327 908 HD23 LEU 115 2HD2 LEU 115 -43.927 20.492 -7.867 909 H GLU 116 H GLU 116 -40.186 24.835 -6.776 910 HA GLU 116 HA GLU 116 -41.707 27.123 -7.674 911 HB2 GLU 116 2HB GLU 116 -38.991 27.042 -6.281 912 HB3 GLU 116 3HB GLU 116 -39.978 28.476 -6.538 913 HG2 GLU 116 2HG GLU 116 -40.444 27.989 -4.334 914 HG3 GLU 116 3HG GLU 116 -41.787 27.202 -5.151 915 H HIS 117 H HIS 117 -41.133 28.563 -9.301 916 HA HIS 117 HA HIS 117 -39.519 27.630 -11.467 917 HB2 HIS 117 2HB HIS 117 -40.822 30.342 -10.993 918 HB3 HIS 117 3HB HIS 117 -39.967 29.920 -12.474 919 HD1 HIS 117 HD1 HIS 117 -41.051 27.874 -13.863 920 HD2 HIS 117 HD2 HIS 117 -43.469 29.602 -10.965 921 HE1 HIS 117 HE1 HIS 117 -43.383 27.133 -14.405 922 HE2 HIS 117 HE2 HIS 117 -44.813 28.082 -12.572 923 H HIS 118 H HIS 118 -37.757 28.906 -12.449 924 HA HIS 118 HA HIS 118 -35.634 29.630 -12.463 925 HB2 HIS 118 2HB HIS 118 -36.345 31.137 -9.908 926 HB3 HIS 118 3HB HIS 118 -34.887 31.385 -10.864 927 HD1 HIS 118 HD1 HIS 118 -38.420 32.360 -10.624 928 HD2 HIS 118 HD2 HIS 118 -35.389 32.595 -13.453 929 HE1 HIS 118 HE1 HIS 118 -39.209 34.037 -12.316 930 HE2 HIS 118 HE2 HIS 118 -37.429 34.056 -14.083 931 H HIS 119 H HIS 119 -34.619 27.703 -12.240 932 HA HIS 119 HA HIS 119 -33.174 27.017 -9.919 933 HB2 HIS 119 2HB HIS 119 -34.279 24.862 -9.317 934 HB3 HIS 119 3HB HIS 119 -35.324 26.235 -9.033 935 HD1 HIS 119 HD1 HIS 119 -37.172 26.643 -11.009 936 HD2 HIS 119 HD2 HIS 119 -35.484 22.856 -10.753 937 HE1 HIS 119 HE1 HIS 119 -38.678 25.145 -12.350 938 HE2 HIS 119 HE2 HIS 119 -37.701 22.850 -12.092 939 H HIS 120 H HIS 120 -34.616 25.907 -12.959 940 HA HIS 120 HA HIS 120 -33.930 24.673 -14.694 941 HB2 HIS 120 2HB HIS 120 -31.236 25.654 -13.686 942 HB3 HIS 120 3HB HIS 120 -31.351 24.621 -15.107 943 HD1 HIS 120 HD1 HIS 120 -31.578 28.112 -14.072 944 HD2 HIS 120 HD2 HIS 120 -32.930 25.830 -17.265 945 HE1 HIS 120 HE1 HIS 120 -32.135 29.754 -15.881 946 HE2 HIS 120 HE2 HIS 120 -32.772 28.339 -17.853 947 H HIS 121 H HIS 121 -31.930 22.827 -15.171 948 HA HIS 121 HA HIS 121 -31.916 20.814 -13.080 949 HB2 HIS 121 2HB HIS 121 -34.217 20.599 -13.978 950 HB3 HIS 121 3HB HIS 121 -33.583 20.416 -15.602 951 HD1 HIS 121 HD1 HIS 121 -33.828 18.063 -16.303 952 HD2 HIS 121 HD2 HIS 121 -32.889 18.366 -12.282 953 HE1 HIS 121 HE1 HIS 121 -33.738 15.702 -15.467 954 HE2 HIS 121 HE2 HIS 121 -33.344 15.922 -12.998 955 H HIS 122 H HIS 122 -31.704 21.202 -16.636 956 HA HIS 122 HA HIS 122 -30.231 20.617 -18.212 957 HB2 HIS 122 2HB HIS 122 -28.618 22.011 -17.028 958 HB3 HIS 122 3HB HIS 122 -28.225 20.709 -15.917 959 HD1 HIS 122 HD1 HIS 122 -27.988 21.363 -19.684 960 HD2 HIS 122 HD2 HIS 122 -25.976 19.361 -16.644 961 HE1 HIS 122 HE1 HIS 122 -25.922 20.418 -20.752 962 HE2 HIS 122 HE2 HIS 122 -24.733 19.198 -18.917 Start of MODEL 13 1 H1 MET 1 1H MET 1 21.759 -28.007 0.952 2 H2 MET 1 2H MET 1 22.171 -29.231 2.043 3 H3 MET 1 3H MET 1 22.238 -27.612 2.522 4 HA MET 1 HA MET 1 19.813 -29.121 1.784 5 HB2 MET 1 2HB MET 1 20.733 -29.754 3.993 6 HB3 MET 1 3HB MET 1 20.746 -28.062 4.487 7 HG2 MET 1 2HG MET 1 18.832 -29.326 5.435 8 HG3 MET 1 3HG MET 1 18.311 -27.982 4.412 9 HE1 MET 1 3HE MET 1 16.205 -30.189 5.192 10 HE2 MET 1 1HE MET 1 15.465 -30.522 3.620 11 HE3 MET 1 2HE MET 1 15.868 -28.868 4.074 12 H ILE 2 H ILE 2 18.024 -27.950 1.401 13 HA ILE 2 HA ILE 2 18.114 -24.993 1.646 14 HB ILE 2 HB ILE 2 16.901 -26.728 -0.572 15 HG12 ILE 2 2HG1 ILE 2 19.334 -26.293 -0.806 16 HG13 ILE 2 3HG1 ILE 2 18.419 -25.524 -2.095 17 HG21 ILE 2 1HG2 ILE 2 16.571 -23.724 -0.224 18 HG22 ILE 2 2HG2 ILE 2 15.303 -24.942 -0.098 19 HG23 ILE 2 3HG2 ILE 2 16.085 -24.650 -1.649 20 HD11 ILE 2 3HD1 ILE 2 18.633 -23.365 -0.918 21 HD12 ILE 2 1HD1 ILE 2 20.191 -24.076 -1.335 22 HD13 ILE 2 2HD1 ILE 2 19.602 -24.159 0.325 23 H GLU 3 H GLU 3 16.328 -24.038 2.590 24 HA GLU 3 HA GLU 3 13.872 -25.686 2.908 25 HB2 GLU 3 2HB GLU 3 13.307 -24.475 4.941 26 HB3 GLU 3 3HB GLU 3 14.895 -25.207 5.121 27 HG2 GLU 3 2HG GLU 3 15.984 -23.065 4.845 28 HG3 GLU 3 3HG GLU 3 14.459 -22.296 4.408 29 HA PRO 4 HA PRO 4 11.798 -22.418 0.573 30 HB2 PRO 4 2HB PRO 4 9.201 -22.791 1.380 31 HB3 PRO 4 3HB PRO 4 10.023 -23.910 0.274 32 HG2 PRO 4 2HG PRO 4 9.549 -24.191 3.220 33 HG3 PRO 4 3HG PRO 4 9.396 -25.404 1.928 34 HD2 PRO 4 2HD PRO 4 11.586 -25.274 3.551 35 HD3 PRO 4 3HD PRO 4 11.665 -25.836 1.868 36 H ILE 5 H ILE 5 11.713 -20.252 1.009 37 HA ILE 5 HA ILE 5 10.874 -19.290 3.662 38 HB ILE 5 HB ILE 5 12.740 -17.596 3.660 39 HG12 ILE 5 2HG1 ILE 5 14.090 -19.345 1.552 40 HG13 ILE 5 3HG1 ILE 5 13.256 -17.848 1.164 41 HG21 ILE 5 1HG2 ILE 5 12.859 -19.580 5.069 42 HG22 ILE 5 2HG2 ILE 5 14.468 -19.113 4.513 43 HG23 ILE 5 3HG2 ILE 5 13.642 -20.483 3.768 44 HD11 ILE 5 3HD1 ILE 5 15.653 -17.539 1.272 45 HD12 ILE 5 1HD1 ILE 5 15.671 -18.090 2.948 46 HD13 ILE 5 2HD1 ILE 5 14.835 -16.597 2.518 47 H LYS 6 H LYS 6 9.788 -17.484 3.578 48 HA LYS 6 HA LYS 6 9.520 -15.951 1.090 49 HB2 LYS 6 2HB LYS 6 7.346 -17.402 2.581 50 HB3 LYS 6 3HB LYS 6 6.959 -15.915 1.787 51 HG2 LYS 6 2HG LYS 6 6.280 -17.548 0.295 52 HG3 LYS 6 3HG LYS 6 7.830 -17.028 -0.351 53 HD2 LYS 6 2HD LYS 6 8.910 -19.021 0.631 54 HD3 LYS 6 3HD LYS 6 7.402 -19.488 1.413 55 HE2 LYS 6 2HE LYS 6 7.827 -19.350 -1.583 56 HE3 LYS 6 3HE LYS 6 7.925 -20.817 -0.620 57 HZ1 LYS 6 3HZ LYS 6 5.520 -19.112 -0.925 58 HZ2 LYS 6 1HZ LYS 6 5.618 -20.522 0.001 59 HZ3 LYS 6 2HZ LYS 6 5.783 -20.599 -1.680 60 H ARG 7 H ARG 7 9.196 -13.782 1.453 61 HA ARG 7 HA ARG 7 8.996 -12.837 4.264 62 HB2 ARG 7 2HB ARG 7 11.180 -12.358 2.906 63 HB3 ARG 7 3HB ARG 7 10.206 -11.224 1.973 64 HG2 ARG 7 2HG ARG 7 11.392 -9.999 3.672 65 HG3 ARG 7 3HG ARG 7 9.678 -10.000 4.095 66 HD2 ARG 7 2HD ARG 7 11.201 -10.396 6.042 67 HD3 ARG 7 3HD ARG 7 10.033 -11.693 5.779 68 HE ARG 7 HE ARG 7 11.740 -13.085 4.992 69 HH11 ARG 7 1HH1 ARG 7 13.068 -10.001 6.053 70 HH12 ARG 7 2HH1 ARG 7 14.687 -10.613 6.138 71 HH21 ARG 7 1HH2 ARG 7 13.833 -13.839 5.109 72 HH22 ARG 7 2HH2 ARG 7 15.119 -12.780 5.605 73 H THR 8 H THR 8 7.430 -11.236 4.693 74 HA THR 8 HA THR 8 5.475 -10.720 2.529 75 HB THR 8 HB THR 8 4.949 -11.399 5.468 76 HG1 THR 8 HG1 THR 8 5.542 -13.186 4.117 77 HG21 THR 8 3HG2 THR 8 3.253 -9.818 4.575 78 HG22 THR 8 1HG2 THR 8 2.565 -11.412 4.879 79 HG23 THR 8 2HG2 THR 8 2.950 -10.921 3.231 80 H GLN 9 H GLN 9 5.837 -8.600 2.093 81 HA GLN 9 HA GLN 9 6.173 -6.645 4.294 82 HB2 GLN 9 2HB GLN 9 7.905 -6.721 2.472 83 HB3 GLN 9 3HB GLN 9 6.655 -6.316 1.304 84 HG2 GLN 9 2HG GLN 9 7.788 -4.297 1.727 85 HG3 GLN 9 3HG GLN 9 6.282 -4.162 2.630 86 HE21 GLN 9 1HE2 GLN 9 8.815 -2.786 3.006 87 HE22 GLN 9 2HE2 GLN 9 9.322 -3.119 4.624 88 H VAL 10 H VAL 10 4.375 -5.590 4.863 89 HA VAL 10 HA VAL 10 2.188 -5.256 2.919 90 HB VAL 10 HB VAL 10 0.761 -4.623 4.823 91 HG11 VAL 10 1HG1 VAL 10 0.644 -6.845 5.897 92 HG12 VAL 10 2HG1 VAL 10 2.247 -7.237 5.271 93 HG13 VAL 10 3HG1 VAL 10 0.905 -6.978 4.156 94 HG21 VAL 10 3HG2 VAL 10 1.538 -4.878 7.172 95 HG22 VAL 10 1HG2 VAL 10 2.395 -3.582 6.334 96 HG23 VAL 10 2HG2 VAL 10 3.187 -5.137 6.596 97 H VAL 11 H VAL 11 1.936 -3.375 1.897 98 HA VAL 11 HA VAL 11 3.356 -0.963 2.788 99 HB VAL 11 HB VAL 11 1.740 -1.552 0.252 100 HG11 VAL 11 1HG1 VAL 11 1.424 0.815 0.821 101 HG12 VAL 11 2HG1 VAL 11 2.475 0.668 -0.585 102 HG13 VAL 11 3HG1 VAL 11 3.167 1.037 0.998 103 HG21 VAL 11 3HG2 VAL 11 4.716 -1.051 0.656 104 HG22 VAL 11 1HG2 VAL 11 3.916 -1.356 -0.889 105 HG23 VAL 11 2HG2 VAL 11 3.964 -2.617 0.342 106 H THR 12 H THR 12 2.364 0.047 4.358 107 HA THR 12 HA THR 12 -0.539 -0.116 4.720 108 HB THR 12 HB THR 12 1.606 0.913 6.636 109 HG1 THR 12 HG1 THR 12 0.467 -1.706 6.488 110 HG21 THR 12 3HG2 THR 12 -0.668 1.599 7.256 111 HG22 THR 12 1HG2 THR 12 -0.048 0.394 8.387 112 HG23 THR 12 2HG2 THR 12 -1.215 -0.078 7.148 113 H GLN 13 H GLN 13 -1.404 1.454 3.455 114 HA GLN 13 HA GLN 13 -0.588 4.274 3.812 115 HB2 GLN 13 2HB GLN 13 -0.655 3.340 1.493 116 HB3 GLN 13 3HB GLN 13 -2.366 2.988 1.690 117 HG2 GLN 13 2HG GLN 13 -2.849 5.387 1.899 118 HG3 GLN 13 3HG GLN 13 -1.132 5.761 1.753 119 HE21 GLN 13 1HE2 GLN 13 -3.948 4.524 0.048 120 HE22 GLN 13 2HE2 GLN 13 -3.340 4.784 -1.546 121 H THR 14 H THR 14 -1.732 5.251 5.374 122 HA THR 14 HA THR 14 -4.387 4.317 6.203 123 HB THR 14 HB THR 14 -2.438 6.329 7.427 124 HG1 THR 14 HG1 THR 14 -3.162 3.938 8.710 125 HG21 THR 14 3HG2 THR 14 -3.884 6.253 9.443 126 HG22 THR 14 1HG2 THR 14 -5.075 5.296 8.551 127 HG23 THR 14 2HG2 THR 14 -4.725 6.954 8.065 128 H ILE 15 H ILE 15 -6.005 5.178 4.991 129 HA ILE 15 HA ILE 15 -5.816 7.884 3.900 130 HB ILE 15 HB ILE 15 -7.913 5.713 3.426 131 HG12 ILE 15 2HG1 ILE 15 -7.088 5.839 1.066 132 HG13 ILE 15 3HG1 ILE 15 -5.864 6.998 1.556 133 HG21 ILE 15 1HG2 ILE 15 -7.838 8.540 2.265 134 HG22 ILE 15 2HG2 ILE 15 -9.050 7.899 3.375 135 HG23 ILE 15 3HG2 ILE 15 -8.930 7.253 1.742 136 HD11 ILE 15 3HD1 ILE 15 -4.763 5.306 2.878 137 HD12 ILE 15 1HD1 ILE 15 -4.974 4.770 1.215 138 HD13 ILE 15 2HD1 ILE 15 -6.029 4.135 2.480 139 H HIS 16 H HIS 16 -6.820 9.563 4.645 140 HA HIS 16 HA HIS 16 -8.648 9.381 6.939 141 HB2 HIS 16 2HB HIS 16 -6.840 11.669 6.058 142 HB3 HIS 16 3HB HIS 16 -7.906 11.705 7.456 143 HD1 HIS 16 HD1 HIS 16 -6.468 11.608 9.484 144 HD2 HIS 16 HD2 HIS 16 -5.028 9.109 6.500 145 HE1 HIS 16 HE1 HIS 16 -4.502 10.413 10.494 146 HE2 HIS 16 HE2 HIS 16 -3.595 8.998 8.638 147 H TYR 17 H TYR 17 -10.724 9.537 6.164 148 HA TYR 17 HA TYR 17 -11.347 11.351 3.948 149 HB2 TYR 17 2HB TYR 17 -13.056 9.443 5.616 150 HB3 TYR 17 3HB TYR 17 -13.730 10.515 4.387 151 HD1 TYR 17 HD1 TYR 17 -13.024 10.226 1.984 152 HD2 TYR 17 HD2 TYR 17 -11.977 7.352 4.953 153 HE1 TYR 17 HE1 TYR 17 -12.443 8.632 0.226 154 HE2 TYR 17 HE2 TYR 17 -11.411 5.752 3.172 155 HH TYR 17 HH TYR 17 -11.014 6.652 -0.056 156 H ARG 18 H ARG 18 -11.584 13.433 4.400 157 HA ARG 18 HA ARG 18 -12.849 14.307 6.935 158 HB2 ARG 18 2HB ARG 18 -10.344 15.534 5.697 159 HB3 ARG 18 3HB ARG 18 -11.244 16.208 7.051 160 HG2 ARG 18 2HG ARG 18 -10.714 14.014 8.288 161 HG3 ARG 18 3HG ARG 18 -9.555 13.710 6.990 162 HD2 ARG 18 2HD ARG 18 -9.585 16.077 8.881 163 HD3 ARG 18 3HD ARG 18 -8.406 14.764 8.850 164 HE ARG 18 HE ARG 18 -8.280 15.884 6.350 165 HH11 ARG 18 1HH1 ARG 18 -7.797 17.108 9.626 166 HH12 ARG 18 2HH1 ARG 18 -6.659 18.317 9.128 167 HH21 ARG 18 1HH2 ARG 18 -6.785 17.468 5.706 168 HH22 ARG 18 2HH2 ARG 18 -6.081 18.521 6.892 169 H TYR 19 H TYR 19 -12.905 16.955 6.611 170 HA TYR 19 HA TYR 19 -14.222 17.517 4.019 171 HB2 TYR 19 2HB TYR 19 -14.937 18.638 6.774 172 HB3 TYR 19 3HB TYR 19 -15.733 19.051 5.256 173 HD1 TYR 19 HD1 TYR 19 -17.177 17.333 4.097 174 HD2 TYR 19 HD2 TYR 19 -15.485 16.585 7.947 175 HE1 TYR 19 HE1 TYR 19 -18.738 15.471 4.427 176 HE2 TYR 19 HE2 TYR 19 -17.049 14.726 8.276 177 HH TYR 19 HH TYR 19 -19.207 13.943 7.438 178 H GLU 20 H GLU 20 -14.246 19.872 3.555 179 HA GLU 20 HA GLU 20 -11.630 20.999 3.589 180 HB2 GLU 20 2HB GLU 20 -12.705 22.885 2.374 181 HB3 GLU 20 3HB GLU 20 -13.142 21.309 1.707 182 HG2 GLU 20 2HG GLU 20 -15.313 21.377 2.790 183 HG3 GLU 20 3HG GLU 20 -14.889 22.872 3.634 184 H ASP 21 H ASP 21 -14.300 21.231 5.701 185 HA ASP 21 HA ASP 21 -13.770 23.684 7.045 186 HB2 ASP 21 2HB ASP 21 -15.200 21.150 7.962 187 HB3 ASP 21 3HB ASP 21 -15.286 22.706 8.783 188 H GLY 22 H GLY 22 -12.113 20.679 7.024 189 HA2 GLY 22 2HA GLY 22 -10.140 20.155 8.234 190 HA3 GLY 22 3HA GLY 22 -10.638 21.268 9.504 191 H ALA 23 H ALA 23 -13.417 20.058 9.217 192 HA ALA 23 HA ALA 23 -13.461 18.302 11.370 193 HB1 ALA 23 3HB ALA 23 -15.426 19.575 10.592 194 HB2 ALA 23 1HB ALA 23 -15.796 17.854 10.714 195 HB3 ALA 23 2HB ALA 23 -15.503 18.585 9.131 196 H VAL 24 H VAL 24 -13.406 16.064 11.545 197 HA VAL 24 HA VAL 24 -12.379 14.540 9.271 198 HB VAL 24 HB VAL 24 -12.787 13.641 12.173 199 HG11 VAL 24 1HG1 VAL 24 -12.672 11.748 10.596 200 HG12 VAL 24 2HG1 VAL 24 -11.240 11.794 11.621 201 HG13 VAL 24 3HG1 VAL 24 -11.144 12.354 9.948 202 HG21 VAL 24 3HG2 VAL 24 -11.197 15.527 12.039 203 HG22 VAL 24 1HG2 VAL 24 -10.235 14.650 10.846 204 HG23 VAL 24 2HG2 VAL 24 -10.375 14.035 12.497 205 H ALA 25 H ALA 25 -13.544 13.016 8.190 206 HA ALA 25 HA ALA 25 -16.342 12.489 8.889 207 HB1 ALA 25 3HB ALA 25 -14.706 11.578 6.489 208 HB2 ALA 25 1HB ALA 25 -15.768 12.991 6.543 209 HB3 ALA 25 2HB ALA 25 -16.447 11.366 6.698 210 H HIS 26 H HIS 26 -13.513 10.462 7.965 211 HA HIS 26 HA HIS 26 -13.384 8.992 10.355 212 HB2 HIS 26 2HB HIS 26 -15.387 7.947 8.553 213 HB3 HIS 26 3HB HIS 26 -14.044 6.819 8.509 214 HD1 HIS 26 HD1 HIS 26 -14.611 4.939 10.035 215 HD2 HIS 26 HD2 HIS 26 -15.747 8.587 11.650 216 HE1 HIS 26 HE1 HIS 26 -15.618 4.394 12.260 217 HE2 HIS 26 HE2 HIS 26 -16.412 6.594 13.151 218 H ASP 27 H ASP 27 -11.251 8.630 10.485 219 HA ASP 27 HA ASP 27 -9.637 8.539 8.030 220 HB2 ASP 27 2HB ASP 27 -7.810 9.429 9.393 221 HB3 ASP 27 3HB ASP 27 -9.238 10.426 9.587 222 H ASP 28 H ASP 28 -10.923 6.169 9.130 223 HA ASP 28 HA ASP 28 -8.751 4.580 10.329 224 HB2 ASP 28 2HB ASP 28 -10.499 3.059 11.045 225 HB3 ASP 28 3HB ASP 28 -10.978 4.698 11.462 226 H HIS 29 H HIS 29 -9.273 5.289 7.261 227 HA HIS 29 HA HIS 29 -9.858 2.581 6.242 228 HB2 HIS 29 2HB HIS 29 -9.842 5.318 4.951 229 HB3 HIS 29 3HB HIS 29 -9.857 3.847 3.977 230 HD1 HIS 29 HD1 HIS 29 -12.090 2.846 3.544 231 HD2 HIS 29 HD2 HIS 29 -12.175 5.436 6.792 232 HE1 HIS 29 HE1 HIS 29 -14.497 3.008 4.212 233 HE2 HIS 29 HE2 HIS 29 -14.535 4.595 6.150 234 H VAL 30 H VAL 30 -7.884 1.813 7.094 235 HA VAL 30 HA VAL 30 -5.380 2.603 5.808 236 HB VAL 30 HB VAL 30 -5.849 0.520 8.007 237 HG11 VAL 30 1HG1 VAL 30 -3.456 0.855 8.495 238 HG12 VAL 30 2HG1 VAL 30 -3.326 1.984 7.145 239 HG13 VAL 30 3HG1 VAL 30 -3.705 0.285 6.846 240 HG21 VAL 30 3HG2 VAL 30 -6.684 2.708 8.775 241 HG22 VAL 30 1HG2 VAL 30 -5.142 3.460 8.362 242 HG23 VAL 30 2HG2 VAL 30 -5.221 2.254 9.647 243 H VAL 31 H VAL 31 -4.879 1.562 3.972 244 HA VAL 31 HA VAL 31 -5.688 -1.244 3.537 245 HB VAL 31 HB VAL 31 -6.424 0.250 1.754 246 HG11 VAL 31 1HG1 VAL 31 -4.887 1.540 0.340 247 HG12 VAL 31 2HG1 VAL 31 -3.525 1.057 1.353 248 HG13 VAL 31 3HG1 VAL 31 -4.806 2.071 2.019 249 HG21 VAL 31 3HG2 VAL 31 -5.439 -0.878 -0.206 250 HG22 VAL 31 1HG2 VAL 31 -5.756 -2.028 1.092 251 HG23 VAL 31 2HG2 VAL 31 -4.107 -1.476 0.785 252 H SER 32 H SER 32 -4.165 -2.769 3.600 253 HA SER 32 HA SER 32 -1.298 -2.076 3.444 254 HB2 SER 32 2HB SER 32 -0.894 -3.994 5.015 255 HB3 SER 32 3HB SER 32 -1.829 -2.701 5.754 256 HG SER 32 HG SER 32 -3.728 -3.969 5.284 257 H LEU 33 H LEU 33 -0.392 -2.943 1.648 258 HA LEU 33 HA LEU 33 -1.765 -5.157 0.254 259 HB2 LEU 33 2HB LEU 33 0.308 -3.155 -0.722 260 HB3 LEU 33 3HB LEU 33 -0.268 -4.508 -1.681 261 HG LEU 33 HG LEU 33 -1.873 -2.092 -0.774 262 HD11 LEU 33 1HD1 LEU 33 -0.427 -1.752 -2.732 263 HD12 LEU 33 2HD1 LEU 33 -2.129 -1.678 -3.176 264 HD13 LEU 33 3HD1 LEU 33 -1.185 -3.124 -3.544 265 HD21 LEU 33 3HD2 LEU 33 -3.826 -3.067 -1.915 266 HD22 LEU 33 1HD2 LEU 33 -3.316 -4.076 -0.564 267 HD23 LEU 33 2HD2 LEU 33 -2.924 -4.556 -2.219 268 H ILE 34 H ILE 34 -0.941 -7.113 0.337 269 HA ILE 34 HA ILE 34 1.520 -7.655 1.749 270 HB ILE 34 HB ILE 34 -0.725 -9.416 0.676 271 HG12 ILE 34 2HG1 ILE 34 -0.882 -10.028 3.186 272 HG13 ILE 34 3HG1 ILE 34 0.235 -8.705 3.490 273 HG21 ILE 34 1HG2 ILE 34 1.309 -10.708 0.315 274 HG22 ILE 34 2HG2 ILE 34 0.412 -11.396 1.665 275 HG23 ILE 34 3HG2 ILE 34 1.839 -10.408 1.969 276 HD11 ILE 34 3HD1 ILE 34 -2.510 -8.434 2.256 277 HD12 ILE 34 1HD1 ILE 34 -1.397 -7.112 2.619 278 HD13 ILE 34 2HD1 ILE 34 -2.079 -8.077 3.928 279 H PHE 35 H PHE 35 3.404 -7.862 0.765 280 HA PHE 35 HA PHE 35 3.617 -8.911 -1.996 281 HB2 PHE 35 2HB PHE 35 5.503 -7.112 -0.408 282 HB3 PHE 35 3HB PHE 35 5.899 -7.812 -1.974 283 HD1 PHE 35 HD1 PHE 35 3.637 -5.412 -0.238 284 HD2 PHE 35 HD2 PHE 35 5.093 -6.817 -4.003 285 HE1 PHE 35 HE1 PHE 35 2.607 -3.487 -1.362 286 HE2 PHE 35 HE2 PHE 35 4.065 -4.885 -5.115 287 HZ PHE 35 HZ PHE 35 2.822 -3.213 -3.797 288 H THR 36 H THR 36 3.780 -11.058 -1.681 289 HA THR 36 HA THR 36 5.680 -12.217 0.259 290 HB THR 36 HB THR 36 3.805 -13.715 -1.627 291 HG1 THR 36 HG1 THR 36 2.770 -12.189 -0.077 292 HG21 THR 36 3HG2 THR 36 5.611 -15.090 -0.615 293 HG22 THR 36 1HG2 THR 36 4.034 -15.541 0.029 294 HG23 THR 36 2HG2 THR 36 5.127 -14.548 0.994 295 H GLN 37 H GLN 37 7.695 -11.982 -0.561 296 HA GLN 37 HA GLN 37 8.307 -12.919 -3.280 297 HB2 GLN 37 2HB GLN 37 10.184 -11.918 -1.096 298 HB3 GLN 37 3HB GLN 37 10.632 -12.282 -2.763 299 HG2 GLN 37 2HG GLN 37 8.944 -10.501 -3.455 300 HG3 GLN 37 3HG GLN 37 8.879 -10.045 -1.757 301 HE21 GLN 37 1HE2 GLN 37 11.756 -10.495 -1.274 302 HE22 GLN 37 2HE2 GLN 37 12.567 -9.201 -2.072 303 H SER 38 H SER 38 8.688 -15.018 -3.618 304 HA SER 38 HA SER 38 9.389 -16.799 -1.421 305 HB2 SER 38 2HB SER 38 9.203 -18.595 -3.170 306 HB3 SER 38 3HB SER 38 7.738 -17.635 -2.990 307 HG SER 38 HG SER 38 8.081 -17.787 -5.155 308 H GLY 39 H GLY 39 11.294 -17.670 -1.115 309 HA2 GLY 39 2HA GLY 39 13.461 -17.543 -3.107 310 HA3 GLY 39 3HA GLY 39 13.730 -16.744 -1.556 311 H LYS 40 H LYS 40 15.540 -18.426 -1.657 312 HA LYS 40 HA LYS 40 14.662 -20.831 -0.205 313 HB2 LYS 40 2HB LYS 40 16.156 -22.288 -1.534 314 HB3 LYS 40 3HB LYS 40 14.873 -21.596 -2.501 315 HG2 LYS 40 2HG LYS 40 16.647 -21.410 -3.950 316 HG3 LYS 40 3HG LYS 40 16.706 -19.826 -3.177 317 HD2 LYS 40 2HD LYS 40 18.510 -20.628 -1.686 318 HD3 LYS 40 3HD LYS 40 18.411 -22.226 -2.429 319 HE2 LYS 40 2HE LYS 40 19.111 -21.277 -4.585 320 HE3 LYS 40 3HE LYS 40 19.184 -19.667 -3.862 321 HZ1 LYS 40 3HZ LYS 40 21.366 -20.692 -4.001 322 HZ2 LYS 40 1HZ LYS 40 20.853 -21.996 -3.056 323 HZ3 LYS 40 2HZ LYS 40 20.935 -20.451 -2.390 324 H ARG 41 H ARG 41 16.151 -21.632 1.304 325 HA ARG 41 HA ARG 41 18.295 -19.692 2.000 326 HB2 ARG 41 2HB ARG 41 16.280 -19.714 3.506 327 HB3 ARG 41 3HB ARG 41 16.616 -21.397 3.887 328 HG2 ARG 41 2HG ARG 41 18.792 -20.713 4.873 329 HG3 ARG 41 3HG ARG 41 18.399 -19.025 4.533 330 HD2 ARG 41 2HD ARG 41 16.829 -20.879 6.361 331 HD3 ARG 41 3HD ARG 41 17.955 -19.630 6.885 332 HE ARG 41 HE ARG 41 16.026 -18.398 5.297 333 HH11 ARG 41 2HH1 ARG 41 16.109 -20.095 8.383 334 HH12 ARG 41 1HH1 ARG 41 14.766 -19.206 9.033 335 HH21 ARG 41 1HH2 ARG 41 14.300 -17.210 6.192 336 HH22 ARG 41 2HH2 ARG 41 13.746 -17.576 7.796 337 H ASP 42 H ASP 42 20.269 -20.513 1.760 338 HA ASP 42 HA ASP 42 20.891 -23.333 1.721 339 HB2 ASP 42 2HB ASP 42 22.489 -20.769 1.476 340 HB3 ASP 42 3HB ASP 42 23.353 -22.261 1.812 341 H LEU 43 H LEU 43 20.790 -24.402 3.589 342 HA LEU 43 HA LEU 43 21.078 -23.117 6.164 343 HB2 LEU 43 2HB LEU 43 20.479 -25.996 5.390 344 HB3 LEU 43 3HB LEU 43 20.448 -25.382 7.037 345 HG LEU 43 HG LEU 43 18.605 -24.521 4.765 346 HD11 LEU 43 1HD1 LEU 43 17.994 -26.052 7.315 347 HD12 LEU 43 2HD1 LEU 43 18.000 -26.704 5.677 348 HD13 LEU 43 3HD1 LEU 43 16.802 -25.498 6.135 349 HD21 LEU 43 3HD2 LEU 43 19.105 -22.588 6.151 350 HD22 LEU 43 1HD2 LEU 43 18.715 -23.493 7.617 351 HD23 LEU 43 2HD2 LEU 43 17.452 -23.117 6.442 352 H THR 44 H THR 44 23.334 -24.290 4.085 353 HA THR 44 HA THR 44 25.189 -25.518 5.901 354 HB THR 44 HB THR 44 25.347 -26.046 3.534 355 HG1 THR 44 HG1 THR 44 27.419 -26.267 3.823 356 HG21 THR 44 3HG2 THR 44 24.549 -23.926 2.565 357 HG22 THR 44 1HG2 THR 44 26.084 -24.415 1.838 358 HG23 THR 44 2HG2 THR 44 26.056 -23.133 3.050 359 H ASN 45 H ASN 45 24.811 -22.267 4.510 360 HA ASN 45 HA ASN 45 26.695 -21.092 6.456 361 HB2 ASN 45 2HB ASN 45 26.858 -20.520 3.984 362 HB3 ASN 45 3HB ASN 45 25.276 -19.758 4.093 363 HD21 ASN 45 1HD2 ASN 45 25.095 -17.787 5.285 364 HD22 ASN 45 2HD2 ASN 45 26.476 -16.817 5.637 365 H GLY 46 H GLY 46 23.347 -21.481 5.757 366 HA2 GLY 46 2HA GLY 46 21.438 -20.908 6.899 367 HA3 GLY 46 3HA GLY 46 22.421 -20.053 8.085 368 H LYS 47 H LYS 47 22.374 -19.569 4.577 369 HA LYS 47 HA LYS 47 21.848 -16.689 4.996 370 HB2 LYS 47 2HB LYS 47 23.009 -16.381 2.813 371 HB3 LYS 47 3HB LYS 47 24.025 -17.160 4.020 372 HG2 LYS 47 2HG LYS 47 23.670 -19.338 2.983 373 HG3 LYS 47 3HG LYS 47 22.571 -18.629 1.800 374 HD2 LYS 47 2HD LYS 47 25.522 -17.950 2.083 375 HD3 LYS 47 3HD LYS 47 24.841 -19.037 0.873 376 HE2 LYS 47 2HE LYS 47 23.511 -17.141 -0.041 377 HE3 LYS 47 3HE LYS 47 24.272 -16.068 1.138 378 HZ1 LYS 47 3HZ LYS 47 25.414 -15.881 -0.948 379 HZ2 LYS 47 1HZ LYS 47 25.632 -17.559 -1.038 380 HZ3 LYS 47 2HZ LYS 47 26.437 -16.666 0.144 381 H GLU 48 H GLU 48 20.252 -15.626 3.819 382 HA GLU 48 HA GLU 48 18.280 -17.315 2.440 383 HB2 GLU 48 2HB GLU 48 18.116 -14.484 3.544 384 HB3 GLU 48 3HB GLU 48 16.784 -15.324 2.744 385 HG2 GLU 48 2HG GLU 48 16.975 -17.120 4.511 386 HG3 GLU 48 3HG GLU 48 18.141 -16.092 5.328 387 H ILE 49 H ILE 49 18.193 -17.328 0.339 388 HA ILE 49 HA ILE 49 19.462 -15.214 -1.288 389 HB ILE 49 HB ILE 49 18.664 -18.055 -2.124 390 HG12 ILE 49 2HG1 ILE 49 21.197 -18.319 -2.484 391 HG13 ILE 49 3HG1 ILE 49 21.409 -16.811 -1.607 392 HG21 ILE 49 1HG2 ILE 49 20.008 -15.876 -3.780 393 HG22 ILE 49 2HG2 ILE 49 18.381 -16.516 -4.012 394 HG23 ILE 49 3HG2 ILE 49 19.779 -17.550 -4.294 395 HD11 ILE 49 3HD1 ILE 49 20.462 -17.832 0.395 396 HD12 ILE 49 1HD1 ILE 49 21.829 -18.764 -0.213 397 HD13 ILE 49 2HD1 ILE 49 20.185 -19.335 -0.490 398 H TRP 50 H TRP 50 17.944 -13.698 -1.552 399 HA TRP 50 HA TRP 50 15.295 -14.382 -2.644 400 HB2 TRP 50 2HB TRP 50 16.402 -11.667 -1.763 401 HB3 TRP 50 3HB TRP 50 14.725 -12.043 -2.160 402 HD1 TRP 50 HD1 TRP 50 17.099 -11.950 0.747 403 HE1 TRP 50 HE1 TRP 50 15.977 -12.918 2.849 404 HE3 TRP 50 HE3 TRP 50 12.986 -14.037 -1.437 405 HZ2 TRP 50 HZ2 TRP 50 13.619 -14.347 3.500 406 HZ3 TRP 50 HZ3 TRP 50 11.346 -15.183 -0.016 407 HH2 TRP 50 HH2 TRP 50 11.647 -15.342 2.395 408 H ASP 51 H ASP 51 14.874 -13.937 -4.764 409 HA ASP 51 HA ASP 51 16.971 -13.342 -6.603 410 HB2 ASP 51 2HB ASP 51 15.091 -14.753 -7.264 411 HB3 ASP 51 3HB ASP 51 13.939 -13.464 -6.927 412 H SER 52 H SER 52 17.818 -11.364 -6.945 413 HA SER 52 HA SER 52 16.773 -8.918 -5.975 414 HB2 SER 52 2HB SER 52 19.198 -9.336 -6.417 415 HB3 SER 52 3HB SER 52 18.875 -9.338 -8.147 416 HG SER 52 HG SER 52 18.629 -7.217 -8.121 417 H LYS 53 H LYS 53 16.410 -10.585 -9.034 418 HA LYS 53 HA LYS 53 15.309 -8.400 -10.551 419 HB2 LYS 53 2HB LYS 53 15.088 -11.398 -11.060 420 HB3 LYS 53 3HB LYS 53 14.741 -10.121 -12.222 421 HG2 LYS 53 2HG LYS 53 17.153 -9.453 -12.161 422 HG3 LYS 53 3HG LYS 53 17.462 -10.801 -11.060 423 HD2 LYS 53 2HD LYS 53 18.055 -11.472 -13.338 424 HD3 LYS 53 3HD LYS 53 16.654 -12.398 -12.798 425 HE2 LYS 53 2HE LYS 53 15.182 -10.803 -14.052 426 HE3 LYS 53 3HE LYS 53 16.629 -10.007 -14.670 427 HZ1 LYS 53 3HZ LYS 53 15.843 -11.553 -16.295 428 HZ2 LYS 53 1HZ LYS 53 15.793 -12.818 -15.172 429 HZ3 LYS 53 2HZ LYS 53 17.278 -12.168 -15.648 430 H TRP 54 H TRP 54 14.029 -10.581 -8.193 431 HA TRP 54 HA TRP 54 11.363 -10.826 -9.027 432 HB2 TRP 54 2HB TRP 54 12.452 -12.150 -7.168 433 HB3 TRP 54 3HB TRP 54 12.320 -10.736 -6.129 434 HD1 TRP 54 HD1 TRP 54 9.654 -9.908 -5.628 435 HE1 TRP 54 HE1 TRP 54 7.559 -11.356 -5.332 436 HE3 TRP 54 HE3 TRP 54 11.318 -14.217 -7.829 437 HZ2 TRP 54 HZ2 TRP 54 6.711 -13.968 -5.938 438 HZ3 TRP 54 HZ3 TRP 54 9.791 -16.144 -7.933 439 HH2 TRP 54 HH2 TRP 54 7.535 -16.020 -7.008 440 H SER 55 H SER 55 9.746 -9.455 -9.067 441 HA SER 55 HA SER 55 9.521 -7.161 -7.333 442 HB2 SER 55 2HB SER 55 9.219 -5.629 -9.406 443 HB3 SER 55 3HB SER 55 10.865 -6.066 -8.963 444 HG SER 55 HG SER 55 10.793 -7.698 -10.576 445 H LEU 56 H LEU 56 7.449 -7.131 -6.722 446 HA LEU 56 HA LEU 56 5.470 -8.633 -8.331 447 HB2 LEU 56 2HB LEU 56 5.874 -9.477 -6.038 448 HB3 LEU 56 3HB LEU 56 5.475 -7.902 -5.369 449 HG LEU 56 HG LEU 56 3.130 -8.159 -6.190 450 HD11 LEU 56 1HD1 LEU 56 2.318 -10.323 -7.013 451 HD12 LEU 56 2HD1 LEU 56 3.969 -10.948 -7.037 452 HD13 LEU 56 3HD1 LEU 56 3.507 -9.623 -8.108 453 HD21 LEU 56 3HD2 LEU 56 4.079 -10.451 -4.430 454 HD22 LEU 56 1HD2 LEU 56 2.418 -9.858 -4.551 455 HD23 LEU 56 2HD2 LEU 56 3.676 -8.819 -3.891 456 H THR 57 H THR 57 3.816 -7.560 -9.253 457 HA THR 57 HA THR 57 3.447 -4.683 -8.770 458 HB THR 57 HB THR 57 2.188 -6.501 -10.891 459 HG1 THR 57 HG1 THR 57 4.204 -4.632 -11.498 460 HG21 THR 57 3HG2 THR 57 0.893 -4.440 -10.520 461 HG22 THR 57 1HG2 THR 57 1.670 -4.421 -12.092 462 HG23 THR 57 2HG2 THR 57 2.351 -3.468 -10.766 463 H GLN 58 H GLN 58 2.031 -4.237 -7.144 464 HA GLN 58 HA GLN 58 -0.358 -5.962 -6.783 465 HB2 GLN 58 2HB GLN 58 1.443 -5.638 -4.872 466 HB3 GLN 58 3HB GLN 58 0.678 -4.071 -4.646 467 HG2 GLN 58 2HG GLN 58 -0.326 -5.517 -3.089 468 HG3 GLN 58 3HG GLN 58 -1.517 -5.326 -4.372 469 HE21 GLN 58 1HE2 GLN 58 1.367 -7.417 -4.461 470 HE22 GLN 58 2HE2 GLN 58 0.494 -8.904 -4.519 471 H THR 59 H THR 59 -2.208 -5.066 -7.277 472 HA THR 59 HA THR 59 -2.532 -2.516 -8.413 473 HB THR 59 HB THR 59 -4.640 -4.461 -7.368 474 HG1 THR 59 HG1 THR 59 -3.607 -4.287 -10.026 475 HG21 THR 59 3HG2 THR 59 -5.554 -2.227 -7.945 476 HG22 THR 59 1HG2 THR 59 -6.132 -3.477 -9.032 477 HG23 THR 59 2HG2 THR 59 -4.862 -2.369 -9.564 478 H PHE 60 H PHE 60 -2.627 -0.621 -7.358 479 HA PHE 60 HA PHE 60 -3.707 -0.437 -4.590 480 HB2 PHE 60 2HB PHE 60 -1.311 0.611 -5.708 481 HB3 PHE 60 3HB PHE 60 -2.367 2.009 -5.622 482 HD1 PHE 60 HD1 PHE 60 -3.860 1.705 -3.159 483 HD2 PHE 60 HD2 PHE 60 0.215 0.710 -3.971 484 HE1 PHE 60 HE1 PHE 60 -3.310 1.948 -0.776 485 HE2 PHE 60 HE2 PHE 60 0.749 0.952 -1.595 486 HZ PHE 60 HZ PHE 60 -1.004 1.556 0.011 487 H GLU 61 H GLU 61 -5.782 0.251 -4.566 488 HA GLU 61 HA GLU 61 -6.858 2.520 -5.793 489 HB2 GLU 61 2HB GLU 61 -8.347 1.508 -7.520 490 HB3 GLU 61 3HB GLU 61 -6.651 1.299 -7.943 491 HG2 GLU 61 2HG GLU 61 -6.725 -1.042 -7.205 492 HG3 GLU 61 3HG GLU 61 -8.385 -0.830 -6.651 493 H ALA 62 H ALA 62 -9.515 1.660 -6.161 494 HA ALA 62 HA ALA 62 -11.454 1.329 -5.118 495 HB1 ALA 62 3HB ALA 62 -10.735 -1.016 -4.797 496 HB2 ALA 62 1HB ALA 62 -11.732 -0.450 -3.455 497 HB3 ALA 62 2HB ALA 62 -9.984 -0.590 -3.259 498 H LEU 63 H LEU 63 -9.811 0.902 -2.009 499 HA LEU 63 HA LEU 63 -10.305 1.864 -0.023 500 HB2 LEU 63 2HB LEU 63 -9.294 4.184 -1.680 501 HB3 LEU 63 3HB LEU 63 -9.867 4.490 -0.053 502 HG LEU 63 HG LEU 63 -7.511 4.286 0.119 503 HD11 LEU 63 1HD1 LEU 63 -8.668 1.634 1.018 504 HD12 LEU 63 2HD1 LEU 63 -8.729 3.153 1.914 505 HD13 LEU 63 3HD1 LEU 63 -7.178 2.372 1.611 506 HD21 LEU 63 3HD2 LEU 63 -7.029 3.243 -2.041 507 HD22 LEU 63 1HD2 LEU 63 -7.645 1.696 -1.457 508 HD23 LEU 63 2HD2 LEU 63 -6.188 2.395 -0.746 509 HA PRO 64 HA PRO 64 -14.792 2.549 -0.915 510 HB2 PRO 64 2HB PRO 64 -15.503 2.079 1.795 511 HB3 PRO 64 3HB PRO 64 -15.437 0.854 0.511 512 HG2 PRO 64 2HG PRO 64 -13.379 1.537 2.579 513 HG3 PRO 64 3HG PRO 64 -13.872 -0.055 1.952 514 HD2 PRO 64 2HD PRO 64 -11.597 1.065 1.124 515 HD3 PRO 64 3HD PRO 64 -12.633 0.196 -0.029 516 H SER 65 H SER 65 -14.704 4.726 -1.358 517 HA SER 65 HA SER 65 -14.393 6.751 0.679 518 HB2 SER 65 2HB SER 65 -15.218 7.019 -2.242 519 HB3 SER 65 3HB SER 65 -14.749 8.347 -1.175 520 HG SER 65 HG SER 65 -12.851 6.467 -1.122 521 HA PRO 66 HA PRO 66 -18.816 6.369 1.830 522 HB2 PRO 66 2HB PRO 66 -18.775 8.623 3.514 523 HB3 PRO 66 3HB PRO 66 -18.325 6.982 4.022 524 HG2 PRO 66 2HG PRO 66 -16.547 9.232 3.137 525 HG3 PRO 66 3HG PRO 66 -16.350 8.109 4.506 526 HD2 PRO 66 2HD PRO 66 -14.971 7.708 2.266 527 HD3 PRO 66 3HD PRO 66 -15.696 6.325 3.119 528 H VAL 67 H VAL 67 -20.303 7.048 0.371 529 HA VAL 67 HA VAL 67 -19.927 9.352 -1.284 530 HB VAL 67 HB VAL 67 -22.446 7.652 -0.924 531 HG11 VAL 67 1HG1 VAL 67 -22.973 9.798 -1.985 532 HG12 VAL 67 2HG1 VAL 67 -23.089 8.505 -3.176 533 HG13 VAL 67 3HG1 VAL 67 -21.681 9.570 -3.165 534 HG21 VAL 67 3HG2 VAL 67 -21.680 6.412 -2.922 535 HG22 VAL 67 1HG2 VAL 67 -20.506 6.293 -1.610 536 HG23 VAL 67 2HG2 VAL 67 -20.204 7.381 -2.966 537 H ILE 68 H ILE 68 -19.970 11.279 -0.335 538 HA ILE 68 HA ILE 68 -21.978 11.897 1.754 539 HB ILE 68 HB ILE 68 -19.353 13.361 1.157 540 HG12 ILE 68 2HG1 ILE 68 -19.995 11.389 3.408 541 HG13 ILE 68 3HG1 ILE 68 -18.904 11.095 2.063 542 HG21 ILE 68 1HG2 ILE 68 -21.284 13.646 3.498 543 HG22 ILE 68 2HG2 ILE 68 -21.095 14.794 2.173 544 HG23 ILE 68 3HG2 ILE 68 -19.763 14.523 3.292 545 HD11 ILE 68 3HD1 ILE 68 -17.407 12.840 2.891 546 HD12 ILE 68 1HD1 ILE 68 -17.695 11.584 4.096 547 HD13 ILE 68 2HD1 ILE 68 -18.509 13.144 4.237 548 H ILE 69 H ILE 69 -23.641 12.993 0.997 549 HA ILE 69 HA ILE 69 -23.648 14.191 -1.620 550 HB ILE 69 HB ILE 69 -25.860 14.152 0.485 551 HG12 ILE 69 2HG1 ILE 69 -25.169 11.844 0.020 552 HG13 ILE 69 3HG1 ILE 69 -26.729 12.134 -0.731 553 HG21 ILE 69 1HG2 ILE 69 -26.027 14.549 -2.525 554 HG22 ILE 69 2HG2 ILE 69 -26.279 15.789 -1.296 555 HG23 ILE 69 3HG2 ILE 69 -27.402 14.437 -1.420 556 HD11 ILE 69 3HD1 ILE 69 -24.049 12.017 -2.131 557 HD12 ILE 69 1HD1 ILE 69 -25.583 12.400 -2.917 558 HD13 ILE 69 2HD1 ILE 69 -25.335 10.812 -2.193 559 H GLY 70 H GLY 70 -23.825 16.366 -2.116 560 HA2 GLY 70 2HA GLY 70 -23.615 18.650 -1.822 561 HA3 GLY 70 3HA GLY 70 -23.639 18.432 -0.076 562 H TYR 71 H TYR 71 -21.439 16.278 -1.469 563 HA TYR 71 HA TYR 71 -19.126 18.080 -1.296 564 HB2 TYR 71 2HB TYR 71 -19.495 15.594 0.438 565 HB3 TYR 71 3HB TYR 71 -17.946 16.398 0.210 566 HD1 TYR 71 HD1 TYR 71 -17.483 18.568 1.277 567 HD2 TYR 71 HD2 TYR 71 -21.261 16.645 1.805 568 HE1 TYR 71 HE1 TYR 71 -18.015 20.092 3.127 569 HE2 TYR 71 HE2 TYR 71 -21.776 18.160 3.652 570 HH TYR 71 HH TYR 71 -20.058 20.989 4.263 571 H THR 72 H THR 72 -17.151 17.125 -2.028 572 HA THR 72 HA THR 72 -17.133 14.514 -3.309 573 HB THR 72 HB THR 72 -16.356 17.011 -4.931 574 HG1 THR 72 HG1 THR 72 -18.694 15.387 -4.982 575 HG21 THR 72 3HG2 THR 72 -16.510 14.079 -5.760 576 HG22 THR 72 1HG2 THR 72 -15.030 14.995 -5.511 577 HG23 THR 72 2HG2 THR 72 -16.124 15.433 -6.826 578 H ALA 73 H ALA 73 -15.099 13.607 -3.061 579 HA ALA 73 HA ALA 73 -13.140 14.915 -1.388 580 HB1 ALA 73 3HB ALA 73 -13.673 12.549 -1.086 581 HB2 ALA 73 1HB ALA 73 -11.974 12.727 -1.527 582 HB3 ALA 73 2HB ALA 73 -13.148 12.189 -2.729 583 H ASP 74 H ASP 74 -10.838 15.141 -1.953 584 HA ASP 74 HA ASP 74 -10.220 16.220 -4.512 585 HB2 ASP 74 2HB ASP 74 -8.287 14.996 -2.488 586 HB3 ASP 74 3HB ASP 74 -7.804 15.951 -3.884 587 H LYS 75 H LYS 75 -9.976 13.045 -3.129 588 HA LYS 75 HA LYS 75 -9.927 11.831 -5.772 589 HB2 LYS 75 2HB LYS 75 -8.321 10.067 -5.076 590 HB3 LYS 75 3HB LYS 75 -7.588 11.653 -5.152 591 HG2 LYS 75 2HG LYS 75 -8.542 10.571 -2.500 592 HG3 LYS 75 3HG LYS 75 -7.016 10.013 -3.174 593 HD2 LYS 75 2HD LYS 75 -7.699 12.924 -2.620 594 HD3 LYS 75 3HD LYS 75 -6.768 11.884 -1.540 595 HE2 LYS 75 2HE LYS 75 -5.126 11.542 -3.456 596 HE3 LYS 75 3HE LYS 75 -5.991 12.817 -4.319 597 HZ1 LYS 75 3HZ LYS 75 -5.446 14.365 -2.577 598 HZ2 LYS 75 1HZ LYS 75 -4.022 13.612 -3.101 599 HZ3 LYS 75 2HZ LYS 75 -4.740 13.147 -1.646 600 HA PRO 76 HA PRO 76 -13.138 9.420 -3.527 601 HB2 PRO 76 2HB PRO 76 -14.568 8.829 -5.786 602 HB3 PRO 76 3HB PRO 76 -14.786 10.353 -4.904 603 HG2 PRO 76 2HG PRO 76 -13.157 9.827 -7.365 604 HG3 PRO 76 3HG PRO 76 -14.290 11.159 -7.036 605 HD2 PRO 76 2HD PRO 76 -11.614 11.473 -6.783 606 HD3 PRO 76 3HD PRO 76 -12.759 12.313 -5.709 607 H MET 77 H MET 77 -10.649 8.928 -5.798 608 HA MET 77 HA MET 77 -10.610 6.043 -5.197 609 HB2 MET 77 2HB MET 77 -11.402 6.380 -7.547 610 HB3 MET 77 3HB MET 77 -9.938 7.293 -7.900 611 HG2 MET 77 2HG MET 77 -9.840 4.968 -8.721 612 HG3 MET 77 3HG MET 77 -8.571 5.326 -7.552 613 HE1 MET 77 3HE MET 77 -12.345 4.734 -6.551 614 HE2 MET 77 1HE MET 77 -12.375 2.978 -6.336 615 HE3 MET 77 2HE MET 77 -12.174 3.663 -7.944 616 H VAL 78 H VAL 78 -8.921 5.852 -3.880 617 HA VAL 78 HA VAL 78 -6.829 7.863 -3.799 618 HB VAL 78 HB VAL 78 -7.317 5.428 -2.023 619 HG11 VAL 78 1HG1 VAL 78 -5.306 7.691 -1.708 620 HG12 VAL 78 2HG1 VAL 78 -4.941 5.993 -2.008 621 HG13 VAL 78 3HG1 VAL 78 -5.663 6.478 -0.482 622 HG21 VAL 78 3HG2 VAL 78 -8.111 7.091 -0.359 623 HG22 VAL 78 1HG2 VAL 78 -9.084 7.133 -1.832 624 HG23 VAL 78 2HG2 VAL 78 -7.877 8.385 -1.539 625 H GLY 79 H GLY 79 -4.971 7.703 -4.800 626 HA2 GLY 79 2HA GLY 79 -3.134 6.967 -5.917 627 HA3 GLY 79 3HA GLY 79 -3.051 5.791 -4.623 628 HA PRO 80 HA PRO 80 -5.324 3.309 -7.996 629 HB2 PRO 80 2HB PRO 80 -6.302 4.445 -10.265 630 HB3 PRO 80 3HB PRO 80 -7.185 4.503 -8.727 631 HG2 PRO 80 2HG PRO 80 -5.524 6.623 -10.029 632 HG3 PRO 80 3HG PRO 80 -7.081 6.767 -9.181 633 HD2 PRO 80 2HD PRO 80 -4.657 7.361 -8.011 634 HD3 PRO 80 3HD PRO 80 -6.099 6.856 -7.107 635 H ASP 81 H ASP 81 -3.023 2.755 -8.072 636 HA ASP 81 HA ASP 81 -1.929 2.681 -10.753 637 HB2 ASP 81 2HB ASP 81 -1.137 4.895 -10.005 638 HB3 ASP 81 3HB ASP 81 -0.463 4.191 -8.540 639 H GLU 82 H GLU 82 -1.274 0.694 -10.946 640 HA GLU 82 HA GLU 82 -0.908 -1.157 -8.830 641 HB2 GLU 82 2HB GLU 82 -0.045 -1.461 -11.734 642 HB3 GLU 82 3HB GLU 82 -0.141 -2.758 -10.552 643 HG2 GLU 82 2HG GLU 82 -2.607 -2.319 -10.371 644 HG3 GLU 82 3HG GLU 82 -2.439 -1.167 -11.694 645 H VAL 83 H VAL 83 0.676 -0.878 -7.400 646 HA VAL 83 HA VAL 83 3.225 0.350 -8.051 647 HB VAL 83 HB VAL 83 2.085 -0.667 -5.393 648 HG11 VAL 83 1HG1 VAL 83 4.538 -0.699 -5.306 649 HG12 VAL 83 2HG1 VAL 83 3.900 0.592 -4.291 650 HG13 VAL 83 3HG1 VAL 83 4.604 0.972 -5.865 651 HG21 VAL 83 3HG2 VAL 83 2.344 2.153 -6.517 652 HG22 VAL 83 1HG2 VAL 83 1.766 1.743 -4.895 653 HG23 VAL 83 2HG2 VAL 83 0.849 1.238 -6.311 654 H THR 84 H THR 84 4.819 -0.839 -8.896 655 HA THR 84 HA THR 84 5.061 -3.718 -8.346 656 HB THR 84 HB THR 84 6.689 -2.046 -10.318 657 HG1 THR 84 HG1 THR 84 4.393 -1.954 -10.756 658 HG21 THR 84 3HG2 THR 84 6.092 -5.036 -10.243 659 HG22 THR 84 1HG2 THR 84 7.618 -4.291 -9.782 660 HG23 THR 84 2HG2 THR 84 7.067 -4.198 -11.454 661 H VAL 85 H VAL 85 6.087 -3.951 -6.388 662 HA VAL 85 HA VAL 85 8.406 -2.268 -5.689 663 HB VAL 85 HB VAL 85 6.888 -4.335 -4.008 664 HG11 VAL 85 1HG1 VAL 85 9.018 -2.331 -3.151 665 HG12 VAL 85 2HG1 VAL 85 9.204 -4.084 -3.225 666 HG13 VAL 85 3HG1 VAL 85 8.081 -3.370 -2.071 667 HG21 VAL 85 3HG2 VAL 85 5.905 -2.401 -2.847 668 HG22 VAL 85 1HG2 VAL 85 5.495 -2.388 -4.561 669 HG23 VAL 85 2HG2 VAL 85 6.736 -1.295 -3.945 670 H ASP 86 H ASP 86 10.416 -2.993 -5.960 671 HA ASP 86 HA ASP 86 10.983 -5.666 -6.972 672 HB2 ASP 86 2HB ASP 86 12.906 -3.393 -6.258 673 HB3 ASP 86 3HB ASP 86 13.330 -4.849 -7.152 674 H SER 87 H SER 87 12.831 -6.880 -6.014 675 HA SER 87 HA SER 87 12.628 -7.326 -3.208 676 HB2 SER 87 2HB SER 87 13.296 -9.051 -4.911 677 HB3 SER 87 3HB SER 87 14.849 -8.239 -5.086 678 HG SER 87 HG SER 87 14.982 -9.969 -3.621 679 H LYS 88 H LYS 88 14.550 -5.300 -5.196 680 HA LYS 88 HA LYS 88 16.733 -4.722 -3.497 681 HB2 LYS 88 2HB LYS 88 15.533 -3.179 -5.835 682 HB3 LYS 88 3HB LYS 88 17.094 -2.818 -5.095 683 HG2 LYS 88 2HG LYS 88 17.975 -4.988 -5.759 684 HG3 LYS 88 3HG LYS 88 16.403 -5.486 -6.377 685 HD2 LYS 88 2HD LYS 88 17.975 -3.137 -7.490 686 HD3 LYS 88 3HD LYS 88 18.083 -4.775 -8.135 687 HE2 LYS 88 2HE LYS 88 15.551 -3.107 -8.004 688 HE3 LYS 88 3HE LYS 88 16.541 -3.351 -9.441 689 HZ1 LYS 88 3HZ LYS 88 16.019 -5.660 -9.435 690 HZ2 LYS 88 1HZ LYS 88 14.565 -4.796 -9.337 691 HZ3 LYS 88 2HZ LYS 88 15.204 -5.554 -7.965 692 H ASN 89 H ASN 89 13.691 -2.916 -4.160 693 HA ASN 89 HA ASN 89 14.177 -1.229 -1.768 694 HB2 ASN 89 2HB ASN 89 12.643 0.405 -2.690 695 HB3 ASN 89 3HB ASN 89 13.798 -0.028 -3.946 696 HD21 ASN 89 1HD2 ASN 89 10.964 1.016 -3.949 697 HD22 ASN 89 2HD2 ASN 89 10.130 -0.006 -5.056 698 H PHE 90 H PHE 90 13.136 -4.008 -1.817 699 HA PHE 90 HA PHE 90 10.380 -4.243 -1.489 700 HB2 PHE 90 2HB PHE 90 11.904 -6.130 -1.886 701 HB3 PHE 90 3HB PHE 90 12.613 -5.917 -0.290 702 HD1 PHE 90 HD1 PHE 90 9.165 -6.313 -1.780 703 HD2 PHE 90 HD2 PHE 90 11.909 -7.465 1.294 704 HE1 PHE 90 HE1 PHE 90 7.529 -7.912 -0.889 705 HE2 PHE 90 HE2 PHE 90 10.258 -9.044 2.163 706 HZ PHE 90 HZ PHE 90 8.064 -9.291 1.076 707 H LEU 91 H LEU 91 12.887 -3.955 1.017 708 HA LEU 91 HA LEU 91 10.991 -3.988 3.185 709 HB2 LEU 91 2HB LEU 91 13.973 -3.429 3.142 710 HB3 LEU 91 3HB LEU 91 13.013 -3.520 4.608 711 HG LEU 91 HG LEU 91 14.098 -5.615 4.484 712 HD11 LEU 91 1HD1 LEU 91 11.343 -6.124 3.321 713 HD12 LEU 91 2HD1 LEU 91 11.717 -5.853 5.023 714 HD13 LEU 91 3HD1 LEU 91 12.333 -7.287 4.207 715 HD21 LEU 91 3HD2 LEU 91 14.937 -5.495 2.176 716 HD22 LEU 91 1HD2 LEU 91 13.331 -5.890 1.555 717 HD23 LEU 91 2HD2 LEU 91 14.227 -7.070 2.517 718 H ASP 92 H ASP 92 11.862 -1.582 1.025 719 HA ASP 92 HA ASP 92 11.264 0.637 2.868 720 HB2 ASP 92 2HB ASP 92 12.231 0.643 -0.030 721 HB3 ASP 92 3HB ASP 92 11.864 2.098 0.896 722 H LYS 93 H LYS 93 9.288 1.595 2.838 723 HA LYS 93 HA LYS 93 7.244 0.821 0.887 724 HB2 LYS 93 2HB LYS 93 5.689 2.077 2.357 725 HB3 LYS 93 3HB LYS 93 6.605 0.872 3.253 726 HG2 LYS 93 2HG LYS 93 8.141 2.686 4.051 727 HG3 LYS 93 3HG LYS 93 7.120 3.863 3.229 728 HD2 LYS 93 2HD LYS 93 6.514 3.877 5.560 729 HD3 LYS 93 3HD LYS 93 5.192 3.122 4.675 730 HE2 LYS 93 2HE LYS 93 5.643 1.918 6.757 731 HE3 LYS 93 3HE LYS 93 6.024 0.892 5.372 732 HZ1 LYS 93 3HZ LYS 93 7.724 0.792 7.102 733 HZ2 LYS 93 1HZ LYS 93 8.003 2.456 6.935 734 HZ3 LYS 93 2HZ LYS 93 8.353 1.407 5.661 735 H GLN 94 H GLN 94 5.780 2.771 0.175 736 HA GLN 94 HA GLN 94 7.412 5.062 -0.728 737 HB2 GLN 94 2HB GLN 94 6.408 4.894 -3.015 738 HB3 GLN 94 3HB GLN 94 7.444 3.539 -2.617 739 HG2 GLN 94 2HG GLN 94 4.420 3.448 -2.507 740 HG3 GLN 94 3HG GLN 94 5.388 2.932 -3.888 741 HE21 GLN 94 1HE2 GLN 94 6.808 1.112 -3.603 742 HE22 GLN 94 2HE2 GLN 94 6.433 -0.099 -2.433 743 H ASN 95 H ASN 95 5.092 4.371 1.199 744 HA ASN 95 HA ASN 95 3.865 6.951 1.077 745 HB2 ASN 95 2HB ASN 95 1.500 6.168 0.908 746 HB3 ASN 95 3HB ASN 95 2.392 5.858 -0.571 747 HD21 ASN 95 1HD2 ASN 95 1.096 4.223 -1.289 748 HD22 ASN 95 2HD2 ASN 95 0.962 2.692 -0.507 749 H ARG 96 H ARG 96 1.708 6.434 2.831 750 HA ARG 96 HA ARG 96 2.315 4.818 5.067 751 HB2 ARG 96 2HB ARG 96 4.251 6.339 5.372 752 HB3 ARG 96 3HB ARG 96 3.178 7.724 5.340 753 HG2 ARG 96 2HG ARG 96 2.070 6.701 7.445 754 HG3 ARG 96 3HG ARG 96 3.478 5.638 7.513 755 HD2 ARG 96 2HD ARG 96 3.485 8.674 7.650 756 HD3 ARG 96 3HD ARG 96 3.836 7.552 8.968 757 HE ARG 96 HE ARG 96 5.590 7.096 6.794 758 HH11 ARG 96 2HH1 ARG 96 5.061 9.478 9.339 759 HH12 ARG 96 1HH1 ARG 96 6.719 9.970 9.399 760 HH21 ARG 96 1HH2 ARG 96 7.783 7.722 6.907 761 HH22 ARG 96 2HH2 ARG 96 8.273 8.966 8.014 762 H GLU 97 H GLU 97 1.182 8.059 4.208 763 HA GLU 97 HA GLU 97 -1.420 7.628 5.508 764 HB2 GLU 97 2HB GLU 97 0.174 8.487 7.228 765 HB3 GLU 97 3HB GLU 97 0.486 9.904 6.248 766 HG2 GLU 97 2HG GLU 97 -2.315 9.290 7.185 767 HG3 GLU 97 3HG GLU 97 -1.158 10.026 8.281 768 H GLU 98 H GLU 98 -2.823 8.101 3.956 769 HA GLU 98 HA GLU 98 -2.509 10.459 2.206 770 HB2 GLU 98 2HB GLU 98 -2.868 8.353 1.000 771 HB3 GLU 98 3HB GLU 98 -4.247 7.954 2.008 772 HG2 GLU 98 2HG GLU 98 -4.942 8.675 -0.220 773 HG3 GLU 98 3HG GLU 98 -5.547 9.753 1.027 774 H THR 99 H THR 99 -4.180 12.043 2.174 775 HA THR 99 HA THR 99 -6.582 11.621 3.839 776 HB THR 99 HB THR 99 -4.911 14.189 3.879 777 HG1 THR 99 HG1 THR 99 -4.577 12.119 5.302 778 HG21 THR 99 3HG2 THR 99 -6.609 15.052 5.490 779 HG22 THR 99 1HG2 THR 99 -7.598 13.614 5.224 780 HG23 THR 99 2HG2 THR 99 -7.325 14.756 3.908 781 H VAL 100 H VAL 100 -8.240 11.689 2.439 782 HA VAL 100 HA VAL 100 -8.260 13.543 0.180 783 HB VAL 100 HB VAL 100 -10.125 12.448 -0.636 784 HG11 VAL 100 1HG1 VAL 100 -9.977 10.016 -0.289 785 HG12 VAL 100 2HG1 VAL 100 -9.005 10.272 1.164 786 HG13 VAL 100 3HG1 VAL 100 -8.373 10.742 -0.414 787 HG21 VAL 100 3HG2 VAL 100 -11.701 12.965 1.157 788 HG22 VAL 100 1HG2 VAL 100 -11.023 11.686 2.169 789 HG23 VAL 100 2HG2 VAL 100 -11.873 11.280 0.675 790 H ILE 101 H ILE 101 -9.387 15.482 0.200 791 HA ILE 101 HA ILE 101 -10.943 16.198 2.638 792 HB ILE 101 HB ILE 101 -9.441 17.946 0.647 793 HG12 ILE 101 2HG1 ILE 101 -8.049 16.981 2.441 794 HG13 ILE 101 3HG1 ILE 101 -8.178 18.723 2.626 795 HG21 ILE 101 1HG2 ILE 101 -11.331 18.907 2.810 796 HG22 ILE 101 2HG2 ILE 101 -11.555 19.067 1.068 797 HG23 ILE 101 3HG2 ILE 101 -10.246 19.933 1.870 798 HD11 ILE 101 3HD1 ILE 101 -9.665 16.643 4.234 799 HD12 ILE 101 1HD1 ILE 101 -9.836 18.390 4.422 800 HD13 ILE 101 2HD1 ILE 101 -8.295 17.609 4.773 801 H TYR 102 H TYR 102 -13.027 16.025 2.348 802 HA TYR 102 HA TYR 102 -14.392 16.248 -0.186 803 HB2 TYR 102 2HB TYR 102 -15.343 15.890 2.680 804 HB3 TYR 102 3HB TYR 102 -16.487 16.217 1.384 805 HD1 TYR 102 HD1 TYR 102 -14.166 13.701 2.780 806 HD2 TYR 102 HD2 TYR 102 -16.974 14.538 -0.321 807 HE1 TYR 102 HE1 TYR 102 -14.242 11.315 2.212 808 HE2 TYR 102 HE2 TYR 102 -17.047 12.157 -0.888 809 HH TYR 102 HH TYR 102 -15.975 9.738 1.061 810 H SER 103 H SER 103 -14.880 18.157 -1.124 811 HA SER 103 HA SER 103 -15.201 20.565 0.552 812 HB2 SER 103 2HB SER 103 -14.497 21.863 -1.422 813 HB3 SER 103 3HB SER 103 -13.252 20.685 -1.003 814 HG SER 103 HG SER 103 -13.427 20.094 -3.004 815 H ALA 104 H ALA 104 -16.821 22.068 -0.274 816 HA ALA 104 HA ALA 104 -19.322 20.817 -0.655 817 HB1 ALA 104 3HB ALA 104 -20.207 23.105 -0.777 818 HB2 ALA 104 1HB ALA 104 -18.572 23.738 -0.997 819 HB3 ALA 104 2HB ALA 104 -19.020 22.959 0.520 820 H ASN 105 H ASN 105 -20.297 20.126 -2.489 821 HA ASN 105 HA ASN 105 -18.745 20.070 -4.913 822 HB2 ASN 105 2HB ASN 105 -20.279 18.366 -5.649 823 HB3 ASN 105 3HB ASN 105 -19.997 18.095 -3.933 824 HD21 ASN 105 1HD2 ASN 105 -22.209 17.173 -5.515 825 HD22 ASN 105 2HD2 ASN 105 -23.647 17.827 -4.817 826 H THR 106 H THR 106 -20.542 19.850 -6.913 827 HA THR 106 HA THR 106 -20.712 22.329 -8.040 828 HB THR 106 HB THR 106 -20.803 20.163 -9.263 829 HG1 THR 106 HG1 THR 106 -21.659 22.306 -10.101 830 HG21 THR 106 3HG2 THR 106 -23.731 20.091 -8.430 831 HG22 THR 106 1HG2 THR 106 -22.477 18.990 -7.850 832 HG23 THR 106 2HG2 THR 106 -22.945 18.979 -9.550 833 H ILE 107 H ILE 107 -23.021 21.048 -5.745 834 HA ILE 107 HA ILE 107 -25.396 22.323 -6.600 835 HB ILE 107 HB ILE 107 -24.545 21.475 -3.800 836 HG12 ILE 107 2HG1 ILE 107 -24.558 19.578 -5.321 837 HG13 ILE 107 3HG1 ILE 107 -25.957 19.449 -4.266 838 HG21 ILE 107 1HG2 ILE 107 -26.380 23.092 -3.645 839 HG22 ILE 107 2HG2 ILE 107 -26.933 21.478 -3.188 840 HG23 ILE 107 3HG2 ILE 107 -27.344 22.135 -4.776 841 HD11 ILE 107 3HD1 ILE 107 -25.961 20.348 -7.150 842 HD12 ILE 107 1HD1 ILE 107 -27.381 20.300 -6.101 843 HD13 ILE 107 2HD1 ILE 107 -26.537 18.809 -6.515 844 H THR 108 H THR 108 -22.901 23.402 -4.278 845 HA THR 108 HA THR 108 -24.083 26.046 -4.034 846 HB THR 108 HB THR 108 -23.031 25.053 -2.058 847 HG1 THR 108 HG1 THR 108 -22.739 27.475 -2.776 848 HG21 THR 108 3HG2 THR 108 -20.429 25.147 -3.619 849 HG22 THR 108 1HG2 THR 108 -21.304 23.688 -3.161 850 HG23 THR 108 2HG2 THR 108 -20.599 24.721 -1.916 851 H GLN 109 H GLN 109 -21.630 24.456 -5.922 852 HA GLN 109 HA GLN 109 -20.232 26.842 -6.795 853 HB2 GLN 109 2HB GLN 109 -20.103 24.006 -7.917 854 HB3 GLN 109 3HB GLN 109 -18.959 25.300 -8.249 855 HG2 GLN 109 2HG GLN 109 -19.408 23.974 -5.563 856 HG3 GLN 109 3HG GLN 109 -18.058 23.669 -6.655 857 HE21 GLN 109 1HE2 GLN 109 -16.428 25.211 -6.840 858 HE22 GLN 109 2HE2 GLN 109 -16.242 26.511 -5.711 859 H ASN 110 H ASN 110 -20.053 27.335 -9.160 860 HA ASN 110 HA ASN 110 -22.604 27.016 -10.608 861 HB2 ASN 110 2HB ASN 110 -21.691 28.762 -12.167 862 HB3 ASN 110 3HB ASN 110 -21.878 29.331 -10.514 863 HD21 ASN 110 1HD2 ASN 110 -19.963 29.549 -9.213 864 HD22 ASN 110 2HD2 ASN 110 -18.437 29.827 -9.960 865 H LYS 111 H LYS 111 -22.712 25.218 -11.746 866 HA LYS 111 HA LYS 111 -22.340 23.542 -13.215 867 HB2 LYS 111 2HB LYS 111 -19.913 25.164 -14.080 868 HB3 LYS 111 3HB LYS 111 -20.593 23.804 -14.970 869 HG2 LYS 111 2HG LYS 111 -22.487 25.010 -15.648 870 HG3 LYS 111 3HG LYS 111 -22.338 26.182 -14.334 871 HD2 LYS 111 2HD LYS 111 -20.325 27.137 -15.418 872 HD3 LYS 111 3HD LYS 111 -20.492 25.982 -16.748 873 HE2 LYS 111 2HE LYS 111 -22.610 26.978 -17.409 874 HE3 LYS 111 3HE LYS 111 -22.606 28.025 -15.988 875 HZ1 LYS 111 3HZ LYS 111 -20.683 28.144 -18.255 876 HZ2 LYS 111 1HZ LYS 111 -20.594 29.093 -16.850 877 HZ3 LYS 111 2HZ LYS 111 -21.907 29.256 -17.898 878 H LYS 112 H LYS 112 -20.505 21.887 -13.940 879 HA LYS 112 HA LYS 112 -18.767 21.275 -11.610 880 HB2 LYS 112 2HB LYS 112 -19.312 18.853 -11.949 881 HB3 LYS 112 3HB LYS 112 -20.674 19.821 -11.408 882 HG2 LYS 112 2HG LYS 112 -21.615 19.816 -13.682 883 HG3 LYS 112 3HG LYS 112 -20.210 18.930 -14.271 884 HD2 LYS 112 2HD LYS 112 -22.029 17.363 -14.007 885 HD3 LYS 112 3HD LYS 112 -20.825 17.026 -12.765 886 HE2 LYS 112 2HE LYS 112 -23.045 16.877 -11.805 887 HE3 LYS 112 3HE LYS 112 -22.213 18.273 -11.125 888 HZ1 LYS 112 3HZ LYS 112 -23.448 19.703 -12.647 889 HZ2 LYS 112 1HZ LYS 112 -24.507 18.792 -11.690 890 HZ3 LYS 112 2HZ LYS 112 -24.238 18.361 -13.303 891 H ASP 113 H ASP 113 -19.356 20.636 -15.061 892 HA ASP 113 HA ASP 113 -16.755 19.452 -15.486 893 HB2 ASP 113 2HB ASP 113 -18.908 20.266 -17.490 894 HB3 ASP 113 3HB ASP 113 -17.466 19.335 -17.873 895 H GLY 114 H GLY 114 -15.035 20.769 -15.441 896 HA2 GLY 114 2HA GLY 114 -14.976 23.185 -17.172 897 HA3 GLY 114 3HA GLY 114 -14.434 23.280 -15.501 898 H LEU 115 H LEU 115 -13.817 20.297 -17.037 899 HA LEU 115 HA LEU 115 -10.937 20.755 -16.881 900 HB2 LEU 115 2HB LEU 115 -12.491 18.209 -17.508 901 HB3 LEU 115 3HB LEU 115 -10.780 18.312 -17.107 902 HG LEU 115 HG LEU 115 -13.027 19.087 -15.198 903 HD11 LEU 115 1HD1 LEU 115 -12.581 17.016 -13.982 904 HD12 LEU 115 2HD1 LEU 115 -11.406 16.531 -15.207 905 HD13 LEU 115 3HD1 LEU 115 -13.111 16.687 -15.631 906 HD21 LEU 115 3HD2 LEU 115 -10.053 18.766 -14.688 907 HD22 LEU 115 1HD2 LEU 115 -11.282 19.077 -13.456 908 HD23 LEU 115 2HD2 LEU 115 -10.963 20.279 -14.701 909 H GLU 116 H GLU 116 -13.216 19.372 -19.250 910 HA GLU 116 HA GLU 116 -13.388 19.255 -21.484 911 HB2 GLU 116 2HB GLU 116 -13.467 21.723 -21.334 912 HB3 GLU 116 3HB GLU 116 -11.713 21.807 -21.455 913 HG2 GLU 116 2HG GLU 116 -12.061 20.568 -23.748 914 HG3 GLU 116 3HG GLU 116 -13.735 21.088 -23.581 915 H HIS 117 H HIS 117 -10.172 20.664 -21.370 916 HA HIS 117 HA HIS 117 -9.042 18.617 -23.093 917 HB2 HIS 117 2HB HIS 117 -6.972 20.180 -22.922 918 HB3 HIS 117 3HB HIS 117 -8.386 20.780 -23.774 919 HD1 HIS 117 HD1 HIS 117 -9.100 23.064 -23.138 920 HD2 HIS 117 HD2 HIS 117 -6.908 21.284 -20.092 921 HE1 HIS 117 HE1 HIS 117 -8.794 24.841 -21.398 922 HE2 HIS 117 HE2 HIS 117 -7.362 23.784 -19.629 923 H HIS 118 H HIS 118 -7.841 16.959 -22.376 924 HA HIS 118 HA HIS 118 -6.651 15.528 -21.127 925 HB2 HIS 118 2HB HIS 118 -5.866 18.005 -19.553 926 HB3 HIS 118 3HB HIS 118 -5.220 16.404 -19.201 927 HD1 HIS 118 HD1 HIS 118 -4.388 19.338 -21.015 928 HD2 HIS 118 HD2 HIS 118 -3.970 15.272 -21.748 929 HE1 HIS 118 HE1 HIS 118 -2.613 19.155 -22.782 930 HE2 HIS 118 HE2 HIS 118 -2.427 16.694 -23.262 931 H HIS 119 H HIS 119 -7.001 14.054 -19.534 932 HA HIS 119 HA HIS 119 -8.455 14.603 -17.126 933 HB2 HIS 119 2HB HIS 119 -10.425 13.167 -17.593 934 HB3 HIS 119 3HB HIS 119 -10.390 14.581 -18.636 935 HD1 HIS 119 HD1 HIS 119 -11.748 11.602 -19.035 936 HD2 HIS 119 HD2 HIS 119 -8.562 13.295 -21.105 937 HE1 HIS 119 HE1 HIS 119 -11.740 10.504 -21.294 938 HE2 HIS 119 HE2 HIS 119 -9.948 11.693 -22.583 939 H HIS 120 H HIS 120 -8.618 12.792 -15.749 940 HA HIS 120 HA HIS 120 -6.253 11.222 -15.761 941 HB2 HIS 120 2HB HIS 120 -7.376 12.188 -13.716 942 HB3 HIS 120 3HB HIS 120 -8.660 10.995 -13.889 943 HD1 HIS 120 HD1 HIS 120 -8.320 9.163 -12.257 944 HD2 HIS 120 HD2 HIS 120 -4.698 10.629 -13.666 945 HE1 HIS 120 HE1 HIS 120 -6.557 7.787 -11.145 946 HE2 HIS 120 HE2 HIS 120 -4.383 8.604 -12.087 947 H HIS 121 H HIS 121 -9.392 10.638 -17.005 948 HA HIS 121 HA HIS 121 -10.333 9.008 -18.235 949 HB2 HIS 121 2HB HIS 121 -7.880 7.264 -17.747 950 HB3 HIS 121 3HB HIS 121 -9.154 6.967 -18.923 951 HD1 HIS 121 HD1 HIS 121 -5.834 8.134 -18.784 952 HD2 HIS 121 HD2 HIS 121 -9.214 9.391 -20.842 953 HE1 HIS 121 HE1 HIS 121 -4.979 9.507 -20.711 954 HE2 HIS 121 HE2 HIS 121 -7.031 10.125 -22.015 955 H HIS 122 H HIS 122 -12.079 8.338 -17.202 956 HA HIS 122 HA HIS 122 -12.150 7.379 -14.540 957 HB2 HIS 122 2HB HIS 122 -14.022 8.654 -15.484 958 HB3 HIS 122 3HB HIS 122 -14.327 7.402 -16.684 959 HD1 HIS 122 HD1 HIS 122 -16.367 6.132 -16.061 960 HD2 HIS 122 HD2 HIS 122 -14.218 7.278 -12.691 961 HE1 HIS 122 HE1 HIS 122 -17.643 5.213 -14.100 962 HE2 HIS 122 HE2 HIS 122 -16.258 5.806 -12.085 Start of MODEL 14 1 H1 MET 1 1H MET 1 22.776 -28.177 1.016 2 H2 MET 1 2H MET 1 22.692 -29.744 1.633 3 H3 MET 1 3H MET 1 22.427 -28.427 2.656 4 HA MET 1 HA MET 1 20.734 -29.171 0.355 5 HB2 MET 1 2HB MET 1 20.584 -30.788 2.262 6 HB3 MET 1 3HB MET 1 20.184 -29.470 3.347 7 HG2 MET 1 2HG MET 1 18.079 -29.105 2.188 8 HG3 MET 1 3HG MET 1 18.489 -30.342 0.998 9 HE1 MET 1 3HE MET 1 17.349 -29.624 4.697 10 HE2 MET 1 1HE MET 1 18.943 -30.336 4.954 11 HE3 MET 1 2HE MET 1 17.494 -31.221 5.431 12 H ILE 2 H ILE 2 18.696 -27.963 0.321 13 HA ILE 2 HA ILE 2 18.930 -25.168 1.289 14 HB ILE 2 HB ILE 2 17.471 -26.276 -1.173 15 HG12 ILE 2 2HG1 ILE 2 19.960 -26.336 -1.432 16 HG13 ILE 2 3HG1 ILE 2 19.196 -25.227 -2.559 17 HG21 ILE 2 1HG2 ILE 2 17.876 -23.392 -0.314 18 HG22 ILE 2 2HG2 ILE 2 16.355 -24.286 -0.297 19 HG23 ILE 2 3HG2 ILE 2 17.146 -23.926 -1.830 20 HD11 ILE 2 3HD1 ILE 2 21.254 -24.297 -1.709 21 HD12 ILE 2 1HD1 ILE 2 20.693 -24.475 -0.046 22 HD13 ILE 2 2HD1 ILE 2 19.893 -23.337 -1.131 23 H GLU 3 H GLU 3 16.992 -24.174 2.119 24 HA GLU 3 HA GLU 3 14.555 -25.854 2.383 25 HB2 GLU 3 2HB GLU 3 13.956 -24.611 4.399 26 HB3 GLU 3 3HB GLU 3 15.551 -25.317 4.621 27 HG2 GLU 3 2HG GLU 3 16.637 -23.215 4.393 28 HG3 GLU 3 3HG GLU 3 15.205 -22.438 3.734 29 HA PRO 4 HA PRO 4 12.706 -22.386 0.069 30 HB2 PRO 4 2HB PRO 4 10.072 -22.944 0.328 31 HB3 PRO 4 3HB PRO 4 11.141 -24.000 -0.616 32 HG2 PRO 4 2HG PRO 4 10.090 -24.387 2.163 33 HG3 PRO 4 3HG PRO 4 10.269 -25.572 0.851 34 HD2 PRO 4 2HD PRO 4 12.075 -25.272 2.940 35 HD3 PRO 4 3HD PRO 4 12.470 -25.986 1.360 36 H ILE 5 H ILE 5 12.630 -20.323 0.778 37 HA ILE 5 HA ILE 5 11.395 -19.658 3.411 38 HB ILE 5 HB ILE 5 13.070 -17.827 3.628 39 HG12 ILE 5 2HG1 ILE 5 14.379 -19.056 1.163 40 HG13 ILE 5 3HG1 ILE 5 13.555 -17.507 1.200 41 HG21 ILE 5 1HG2 ILE 5 13.495 -19.997 4.709 42 HG22 ILE 5 2HG2 ILE 5 14.999 -19.206 4.233 43 HG23 ILE 5 3HG2 ILE 5 14.362 -20.543 3.272 44 HD11 ILE 5 3HD1 ILE 5 15.276 -16.654 2.737 45 HD12 ILE 5 1HD1 ILE 5 15.940 -17.201 1.199 46 HD13 ILE 5 2HD1 ILE 5 16.112 -18.200 2.637 47 H LYS 6 H LYS 6 10.911 -17.265 3.594 48 HA LYS 6 HA LYS 6 10.528 -15.646 1.310 49 HB2 LYS 6 2HB LYS 6 8.153 -15.541 1.060 50 HB3 LYS 6 3HB LYS 6 8.572 -17.242 0.986 51 HG2 LYS 6 2HG LYS 6 7.442 -15.859 3.435 52 HG3 LYS 6 3HG LYS 6 6.472 -16.723 2.253 53 HD2 LYS 6 2HD LYS 6 8.695 -17.995 3.900 54 HD3 LYS 6 3HD LYS 6 6.989 -18.052 4.339 55 HE2 LYS 6 2HE LYS 6 6.489 -19.306 2.290 56 HE3 LYS 6 3HE LYS 6 8.175 -19.179 1.787 57 HZ1 LYS 6 3HZ LYS 6 7.244 -20.594 4.230 58 HZ2 LYS 6 1HZ LYS 6 8.835 -20.506 3.672 59 HZ3 LYS 6 2HZ LYS 6 7.669 -21.337 2.776 60 H ARG 7 H ARG 7 10.153 -13.532 1.861 61 HA ARG 7 HA ARG 7 9.644 -12.834 4.697 62 HB2 ARG 7 2HB ARG 7 10.760 -11.130 2.425 63 HB3 ARG 7 3HB ARG 7 10.485 -10.561 4.070 64 HG2 ARG 7 2HG ARG 7 12.185 -12.067 4.929 65 HG3 ARG 7 3HG ARG 7 12.383 -12.795 3.335 66 HD2 ARG 7 2HD ARG 7 14.211 -11.254 3.730 67 HD3 ARG 7 3HD ARG 7 13.178 -10.613 2.455 68 HE ARG 7 HE ARG 7 12.544 -8.862 3.836 69 HH11 ARG 7 1HH1 ARG 7 14.529 -11.110 5.703 70 HH12 ARG 7 2HH1 ARG 7 14.763 -9.990 7.005 71 HH21 ARG 7 1HH2 ARG 7 12.910 -7.413 5.532 72 HH22 ARG 7 2HH2 ARG 7 13.850 -7.900 6.907 73 H THR 8 H THR 8 8.321 -10.815 5.009 74 HA THR 8 HA THR 8 6.039 -10.610 3.135 75 HB THR 8 HB THR 8 5.905 -10.942 6.178 76 HG1 THR 8 HG1 THR 8 6.233 -12.892 5.017 77 HG21 THR 8 3HG2 THR 8 3.597 -10.631 4.223 78 HG22 THR 8 1HG2 THR 8 4.140 -9.379 5.334 79 HG23 THR 8 2HG2 THR 8 3.471 -10.886 5.961 80 H GLN 9 H GLN 9 6.356 -8.520 2.418 81 HA GLN 9 HA GLN 9 6.633 -6.371 4.455 82 HB2 GLN 9 2HB GLN 9 8.456 -6.648 2.650 83 HB3 GLN 9 3HB GLN 9 7.262 -6.077 1.497 84 HG2 GLN 9 2HG GLN 9 8.636 -4.226 2.084 85 HG3 GLN 9 3HG GLN 9 7.076 -3.964 2.861 86 HE21 GLN 9 1HE2 GLN 9 9.962 -3.133 3.443 87 HE22 GLN 9 2HE2 GLN 9 10.157 -3.460 5.129 88 H VAL 10 H VAL 10 4.584 -5.802 4.924 89 HA VAL 10 HA VAL 10 2.567 -5.621 2.817 90 HB VAL 10 HB VAL 10 0.930 -5.233 4.596 91 HG11 VAL 10 1HG1 VAL 10 2.791 -7.545 5.263 92 HG12 VAL 10 2HG1 VAL 10 1.499 -7.553 4.062 93 HG13 VAL 10 3HG1 VAL 10 1.104 -7.402 5.773 94 HG21 VAL 10 3HG2 VAL 10 1.542 -5.272 6.996 95 HG22 VAL 10 1HG2 VAL 10 2.244 -3.885 6.160 96 HG23 VAL 10 2HG2 VAL 10 3.253 -5.276 6.558 97 H VAL 11 H VAL 11 1.938 -3.765 1.888 98 HA VAL 11 HA VAL 11 2.954 -1.179 2.892 99 HB VAL 11 HB VAL 11 1.778 -1.968 0.175 100 HG11 VAL 11 1HG1 VAL 11 2.281 0.326 -0.567 101 HG12 VAL 11 2HG1 VAL 11 2.772 0.761 1.072 102 HG13 VAL 11 3HG1 VAL 11 1.093 0.329 0.740 103 HG21 VAL 11 3HG2 VAL 11 4.052 -1.485 -0.672 104 HG22 VAL 11 1HG2 VAL 11 4.090 -2.749 0.558 105 HG23 VAL 11 2HG2 VAL 11 4.595 -1.106 0.965 106 H THR 12 H THR 12 1.613 -0.268 4.283 107 HA THR 12 HA THR 12 -1.238 -0.951 4.331 108 HB THR 12 HB THR 12 0.591 0.354 6.399 109 HG1 THR 12 HG1 THR 12 -0.681 -2.198 6.469 110 HG21 THR 12 3HG2 THR 12 -1.724 1.165 6.720 111 HG22 THR 12 1HG2 THR 12 -1.249 0.065 8.010 112 HG23 THR 12 2HG2 THR 12 -2.308 -0.506 6.719 113 H GLN 13 H GLN 13 -2.365 0.419 3.000 114 HA GLN 13 HA GLN 13 -2.011 3.321 3.135 115 HB2 GLN 13 2HB GLN 13 -2.537 2.677 0.933 116 HB3 GLN 13 3HB GLN 13 -3.673 1.438 1.443 117 HG2 GLN 13 2HG GLN 13 -4.894 3.188 0.349 118 HG3 GLN 13 3HG GLN 13 -5.301 3.221 2.056 119 HE21 GLN 13 1HE2 GLN 13 -5.622 5.276 0.048 120 HE22 GLN 13 2HE2 GLN 13 -4.752 6.661 0.596 121 H THR 14 H THR 14 -2.824 4.327 4.825 122 HA THR 14 HA THR 14 -5.299 3.427 6.160 123 HB THR 14 HB THR 14 -3.042 5.231 7.176 124 HG1 THR 14 HG1 THR 14 -2.872 2.742 6.878 125 HG21 THR 14 3HG2 THR 14 -5.181 5.796 8.243 126 HG22 THR 14 1HG2 THR 14 -4.142 4.956 9.390 127 HG23 THR 14 2HG2 THR 14 -5.474 4.093 8.613 128 H ILE 15 H ILE 15 -6.973 4.534 5.281 129 HA ILE 15 HA ILE 15 -6.563 7.276 4.335 130 HB ILE 15 HB ILE 15 -7.246 5.691 2.612 131 HG12 ILE 15 2HG1 ILE 15 -9.485 7.678 3.210 132 HG13 ILE 15 3HG1 ILE 15 -7.939 8.094 2.469 133 HG21 ILE 15 1HG2 ILE 15 -8.538 4.084 3.902 134 HG22 ILE 15 2HG2 ILE 15 -9.504 4.689 2.559 135 HG23 ILE 15 3HG2 ILE 15 -9.796 5.285 4.194 136 HD11 ILE 15 3HD1 ILE 15 -9.969 6.201 1.309 137 HD12 ILE 15 1HD1 ILE 15 -8.432 6.686 0.582 138 HD13 ILE 15 2HD1 ILE 15 -9.707 7.878 0.831 139 H HIS 16 H HIS 16 -7.716 8.890 4.933 140 HA HIS 16 HA HIS 16 -9.624 8.735 7.167 141 HB2 HIS 16 2HB HIS 16 -7.645 10.954 6.455 142 HB3 HIS 16 3HB HIS 16 -8.789 11.009 7.788 143 HD1 HIS 16 HD1 HIS 16 -7.562 10.758 9.909 144 HD2 HIS 16 HD2 HIS 16 -5.897 8.389 6.919 145 HE1 HIS 16 HE1 HIS 16 -5.593 9.608 10.968 146 HE2 HIS 16 HE2 HIS 16 -4.691 8.092 9.181 147 H TYR 17 H TYR 17 -11.155 10.478 7.177 148 HA TYR 17 HA TYR 17 -11.893 11.632 4.533 149 HB2 TYR 17 2HB TYR 17 -13.892 10.395 6.506 150 HB3 TYR 17 3HB TYR 17 -14.241 11.010 4.890 151 HD1 TYR 17 HD2 TYR 17 -13.309 9.753 2.875 152 HD2 TYR 17 HD1 TYR 17 -13.125 8.104 6.808 153 HE1 TYR 17 HE2 TYR 17 -12.796 7.543 1.928 154 HE2 TYR 17 HE1 TYR 17 -12.601 5.905 5.849 155 HH TYR 17 HH TYR 17 -11.770 5.464 2.562 156 H ARG 18 H ARG 18 -11.678 13.795 4.816 157 HA ARG 18 HA ARG 18 -13.036 15.093 7.082 158 HB2 ARG 18 2HB ARG 18 -10.212 15.856 6.205 159 HB3 ARG 18 3HB ARG 18 -11.187 16.704 7.398 160 HG2 ARG 18 2HG ARG 18 -11.145 14.504 8.742 161 HG3 ARG 18 3HG ARG 18 -9.873 13.997 7.630 162 HD2 ARG 18 2HD ARG 18 -9.839 16.322 9.562 163 HD3 ARG 18 3HD ARG 18 -8.796 14.897 9.569 164 HE ARG 18 HE ARG 18 -8.014 15.891 7.287 165 HH11 ARG 18 1HH1 ARG 18 -8.787 17.752 10.192 166 HH12 ARG 18 2HH1 ARG 18 -7.702 19.046 9.784 167 HH21 ARG 18 1HH2 ARG 18 -6.652 17.643 6.749 168 HH22 ARG 18 2HH2 ARG 18 -6.495 18.987 7.838 169 H TYR 19 H TYR 19 -13.341 17.450 6.659 170 HA TYR 19 HA TYR 19 -14.139 17.899 3.885 171 HB2 TYR 19 2HB TYR 19 -14.617 19.566 6.404 172 HB3 TYR 19 3HB TYR 19 -15.323 19.882 4.821 173 HD1 TYR 19 HD1 TYR 19 -15.449 17.700 7.787 174 HD2 TYR 19 HD2 TYR 19 -17.182 18.471 3.960 175 HE1 TYR 19 HE1 TYR 19 -17.333 16.249 8.364 176 HE2 TYR 19 HE2 TYR 19 -19.076 17.008 4.538 177 HH TYR 19 HH TYR 19 -19.662 15.904 7.705 178 H GLU 20 H GLU 20 -13.845 20.336 3.185 179 HA GLU 20 HA GLU 20 -11.020 20.868 2.986 180 HB2 GLU 20 2HB GLU 20 -11.660 22.802 1.584 181 HB3 GLU 20 3HB GLU 20 -12.529 21.352 1.086 182 HG2 GLU 20 2HG GLU 20 -14.550 22.106 2.172 183 HG3 GLU 20 3HG GLU 20 -13.705 23.484 2.884 184 H ASP 21 H ASP 21 -13.593 21.929 5.050 185 HA ASP 21 HA ASP 21 -12.310 24.222 6.215 186 HB2 ASP 21 2HB ASP 21 -14.769 23.839 6.272 187 HB3 ASP 21 3HB ASP 21 -14.539 22.421 7.286 188 H GLY 22 H GLY 22 -11.906 20.801 6.546 189 HA2 GLY 22 2HA GLY 22 -9.987 19.859 7.612 190 HA3 GLY 22 3HA GLY 22 -10.022 21.152 8.802 191 H ALA 23 H ALA 23 -13.141 20.454 8.672 192 HA ALA 23 HA ALA 23 -13.335 19.097 11.117 193 HB1 ALA 23 3HB ALA 23 -15.419 19.336 8.906 194 HB2 ALA 23 1HB ALA 23 -15.146 20.509 10.196 195 HB3 ALA 23 2HB ALA 23 -15.755 18.899 10.586 196 H VAL 24 H VAL 24 -13.535 16.915 11.666 197 HA VAL 24 HA VAL 24 -12.713 14.960 9.687 198 HB VAL 24 HB VAL 24 -13.450 14.498 12.620 199 HG11 VAL 24 1HG1 VAL 24 -12.198 12.382 12.406 200 HG12 VAL 24 2HG1 VAL 24 -11.918 12.699 10.693 201 HG13 VAL 24 3HG1 VAL 24 -13.558 12.427 11.286 202 HG21 VAL 24 3HG2 VAL 24 -11.572 16.078 12.409 203 HG22 VAL 24 1HG2 VAL 24 -10.695 14.928 11.395 204 HG23 VAL 24 2HG2 VAL 24 -11.032 14.540 13.086 205 H ALA 25 H ALA 25 -14.210 14.207 8.307 206 HA ALA 25 HA ALA 25 -16.990 13.827 8.884 207 HB1 ALA 25 3HB ALA 25 -15.300 12.673 6.623 208 HB2 ALA 25 1HB ALA 25 -16.161 14.214 6.588 209 HB3 ALA 25 2HB ALA 25 -17.065 12.704 6.691 210 H HIS 26 H HIS 26 -14.327 11.545 8.320 211 HA HIS 26 HA HIS 26 -14.783 9.916 10.617 212 HB2 HIS 26 2HB HIS 26 -15.885 8.959 7.967 213 HB3 HIS 26 3HB HIS 26 -15.033 7.765 8.937 214 HD1 HIS 26 HD1 HIS 26 -18.292 9.315 8.527 215 HD2 HIS 26 HD2 HIS 26 -16.237 7.423 11.605 216 HE1 HIS 26 HE1 HIS 26 -20.040 8.687 10.217 217 HE2 HIS 26 HE2 HIS 26 -18.763 7.628 12.103 218 H ASP 27 H ASP 27 -13.306 7.771 10.238 219 HA ASP 27 HA ASP 27 -11.331 7.787 8.191 220 HB2 ASP 27 2HB ASP 27 -9.286 8.141 9.496 221 HB3 ASP 27 3HB ASP 27 -10.298 9.572 9.574 222 H ASP 28 H ASP 28 -9.377 6.172 9.491 223 HA ASP 28 HA ASP 28 -8.876 4.169 10.409 224 HB2 ASP 28 2HB ASP 28 -10.403 4.927 12.311 225 HB3 ASP 28 3HB ASP 28 -11.715 4.053 11.532 226 H HIS 29 H HIS 29 -9.847 4.530 7.730 227 HA HIS 29 HA HIS 29 -10.794 1.737 7.233 228 HB2 HIS 29 2HB HIS 29 -11.017 4.211 5.452 229 HB3 HIS 29 3HB HIS 29 -11.286 2.569 4.867 230 HD1 HIS 29 HD1 HIS 29 -13.739 2.208 4.659 231 HD2 HIS 29 HD2 HIS 29 -12.817 4.462 8.020 232 HE1 HIS 29 HE1 HIS 29 -15.927 2.654 5.800 233 HE2 HIS 29 HE2 HIS 29 -15.351 4.037 7.813 234 H VAL 30 H VAL 30 -9.264 0.389 6.569 235 HA VAL 30 HA VAL 30 -6.755 1.467 5.388 236 HB VAL 30 HB VAL 30 -6.955 -0.616 7.654 237 HG11 VAL 30 1HG1 VAL 30 -5.103 -1.161 6.122 238 HG12 VAL 30 2HG1 VAL 30 -4.497 -0.620 7.684 239 HG13 VAL 30 3HG1 VAL 30 -4.455 0.473 6.298 240 HG21 VAL 30 3HG2 VAL 30 -7.307 1.696 8.450 241 HG22 VAL 30 1HG2 VAL 30 -5.774 2.187 7.725 242 HG23 VAL 30 2HG2 VAL 30 -5.793 1.029 9.057 243 H VAL 31 H VAL 31 -5.821 0.244 3.864 244 HA VAL 31 HA VAL 31 -6.579 -2.558 3.466 245 HB VAL 31 HB VAL 31 -7.849 -1.265 1.768 246 HG11 VAL 31 1HG1 VAL 31 -6.417 0.715 1.552 247 HG12 VAL 31 2HG1 VAL 31 -6.757 0.005 -0.027 248 HG13 VAL 31 3HG1 VAL 31 -5.183 -0.249 0.737 249 HG21 VAL 31 3HG2 VAL 31 -7.159 -2.525 -0.219 250 HG22 VAL 31 1HG2 VAL 31 -7.043 -3.537 1.222 251 HG23 VAL 31 2HG2 VAL 31 -5.583 -2.854 0.503 252 H SER 32 H SER 32 -4.767 -3.736 3.580 253 HA SER 32 HA SER 32 -2.124 -2.518 2.981 254 HB2 SER 32 2HB SER 32 -2.731 -4.694 5.035 255 HB3 SER 32 3HB SER 32 -1.186 -3.875 4.782 256 HG SER 32 HG SER 32 -3.538 -2.456 5.473 257 H LEU 33 H LEU 33 -0.875 -3.613 1.535 258 HA LEU 33 HA LEU 33 -1.925 -6.142 0.393 259 HB2 LEU 33 2HB LEU 33 -0.117 -4.030 -0.830 260 HB3 LEU 33 3HB LEU 33 -0.561 -5.539 -1.617 261 HG LEU 33 HG LEU 33 -2.478 -3.306 -0.857 262 HD11 LEU 33 1HD1 LEU 33 -0.984 -2.754 -2.721 263 HD12 LEU 33 2HD1 LEU 33 -2.659 -2.909 -3.243 264 HD13 LEU 33 3HD1 LEU 33 -1.512 -4.209 -3.577 265 HD21 LEU 33 3HD2 LEU 33 -4.194 -4.572 -2.089 266 HD22 LEU 33 1HD2 LEU 33 -3.604 -5.480 -0.698 267 HD23 LEU 33 2HD2 LEU 33 -3.060 -5.906 -2.321 268 H ILE 34 H ILE 34 -0.753 -7.910 0.541 269 HA ILE 34 HA ILE 34 1.738 -7.875 2.055 270 HB ILE 34 HB ILE 34 0.027 -10.231 1.096 271 HG12 ILE 34 2HG1 ILE 34 -0.425 -10.534 3.609 272 HG13 ILE 34 3HG1 ILE 34 0.275 -8.946 3.864 273 HG21 ILE 34 1HG2 ILE 34 2.355 -10.923 1.252 274 HG22 ILE 34 2HG2 ILE 34 1.464 -11.617 2.601 275 HG23 ILE 34 3HG2 ILE 34 2.502 -10.219 2.865 276 HD11 ILE 34 3HD1 ILE 34 -2.160 -8.894 3.887 277 HD12 ILE 34 1HD1 ILE 34 -2.206 -9.539 2.247 278 HD13 ILE 34 2HD1 ILE 34 -1.524 -7.940 2.549 279 H PHE 35 H PHE 35 3.544 -7.514 0.825 280 HA PHE 35 HA PHE 35 3.873 -8.806 -1.797 281 HB2 PHE 35 2HB PHE 35 5.658 -6.830 -0.283 282 HB3 PHE 35 3HB PHE 35 6.054 -7.528 -1.851 283 HD1 PHE 35 HD1 PHE 35 3.440 -5.439 -0.128 284 HD2 PHE 35 HD2 PHE 35 5.342 -6.424 -3.835 285 HE1 PHE 35 HE1 PHE 35 2.256 -3.587 -1.238 286 HE2 PHE 35 HE2 PHE 35 4.155 -4.562 -4.925 287 HZ PHE 35 HZ PHE 35 2.623 -3.136 -3.626 288 H THR 36 H THR 36 4.228 -10.934 -1.433 289 HA THR 36 HA THR 36 5.969 -11.843 0.746 290 HB THR 36 HB THR 36 4.489 -13.596 -1.272 291 HG1 THR 36 HG1 THR 36 3.556 -12.534 1.203 292 HG21 THR 36 3HG2 THR 36 5.426 -14.121 1.575 293 HG22 THR 36 1HG2 THR 36 6.193 -14.742 0.113 294 HG23 THR 36 2HG2 THR 36 4.563 -15.265 0.544 295 H GLN 37 H GLN 37 8.072 -11.529 0.177 296 HA GLN 37 HA GLN 37 9.092 -12.117 -2.467 297 HB2 GLN 37 2HB GLN 37 10.065 -10.321 -1.009 298 HB3 GLN 37 3HB GLN 37 10.639 -11.564 0.098 299 HG2 GLN 37 2HG GLN 37 11.995 -12.520 -1.825 300 HG3 GLN 37 3HG GLN 37 11.514 -11.107 -2.769 301 HE21 GLN 37 1HE2 GLN 37 13.656 -10.457 -2.994 302 HE22 GLN 37 2HE2 GLN 37 14.558 -9.761 -1.696 303 H SER 38 H SER 38 8.772 -14.286 -2.892 304 HA SER 38 HA SER 38 9.612 -16.368 -1.090 305 HB2 SER 38 2HB SER 38 9.165 -17.878 -3.040 306 HB3 SER 38 3HB SER 38 7.813 -16.816 -2.677 307 HG SER 38 HG SER 38 9.728 -16.450 -4.752 308 H GLY 39 H GLY 39 11.482 -17.421 -1.041 309 HA2 GLY 39 2HA GLY 39 13.464 -17.319 -3.195 310 HA3 GLY 39 3HA GLY 39 13.958 -16.636 -1.645 311 H LYS 40 H LYS 40 15.612 -18.325 -1.751 312 HA LYS 40 HA LYS 40 14.723 -20.678 -0.261 313 HB2 LYS 40 2HB LYS 40 15.960 -22.268 -1.685 314 HB3 LYS 40 3HB LYS 40 14.687 -21.475 -2.585 315 HG2 LYS 40 2HG LYS 40 16.397 -21.501 -4.139 316 HG3 LYS 40 3HG LYS 40 16.612 -19.902 -3.432 317 HD2 LYS 40 2HD LYS 40 18.449 -20.773 -2.023 318 HD3 LYS 40 3HD LYS 40 18.212 -22.387 -2.688 319 HE2 LYS 40 2HE LYS 40 19.145 -19.919 -4.184 320 HE3 LYS 40 3HE LYS 40 20.108 -21.336 -3.782 321 HZ1 LYS 40 3HZ LYS 40 19.419 -21.368 -6.078 322 HZ2 LYS 40 1HZ LYS 40 17.792 -21.271 -5.635 323 HZ3 LYS 40 2HZ LYS 40 18.692 -22.652 -5.248 324 H ARG 41 H ARG 41 16.345 -21.477 1.159 325 HA ARG 41 HA ARG 41 18.621 -19.615 1.586 326 HB2 ARG 41 2HB ARG 41 16.841 -19.582 3.337 327 HB3 ARG 41 3HB ARG 41 17.086 -21.294 3.621 328 HG2 ARG 41 2HG ARG 41 19.450 -20.760 4.316 329 HG3 ARG 41 3HG ARG 41 19.041 -19.048 4.179 330 HD2 ARG 41 2HD ARG 41 17.748 -21.061 6.044 331 HD3 ARG 41 3HD ARG 41 18.874 -19.792 6.500 332 HE ARG 41 HE ARG 41 16.693 -18.572 5.236 333 HH11 ARG 41 2HH1 ARG 41 17.275 -20.385 8.206 334 HH12 ARG 41 1HH1 ARG 41 16.002 -19.590 9.076 335 HH21 ARG 41 2HH2 ARG 41 15.071 -17.491 6.416 336 HH22 ARG 41 1HH2 ARG 41 14.752 -17.952 8.060 337 H ASP 42 H ASP 42 20.597 -20.497 1.361 338 HA ASP 42 HA ASP 42 21.155 -23.303 1.297 339 HB2 ASP 42 2HB ASP 42 22.613 -21.724 0.109 340 HB3 ASP 42 3HB ASP 42 22.981 -20.901 1.614 341 H LEU 43 H LEU 43 21.338 -24.596 2.972 342 HA LEU 43 HA LEU 43 21.158 -23.617 5.699 343 HB2 LEU 43 2HB LEU 43 21.166 -26.402 4.477 344 HB3 LEU 43 3HB LEU 43 21.025 -26.113 6.203 345 HG LEU 43 HG LEU 43 19.051 -25.208 4.061 346 HD11 LEU 43 1HD1 LEU 43 18.728 -27.315 6.220 347 HD12 LEU 43 2HD1 LEU 43 18.934 -27.614 4.492 348 HD13 LEU 43 3HD1 LEU 43 17.488 -26.794 5.074 349 HD21 LEU 43 3HD2 LEU 43 19.116 -23.533 5.814 350 HD22 LEU 43 1HD2 LEU 43 18.939 -24.774 7.061 351 HD23 LEU 43 2HD2 LEU 43 17.620 -24.456 5.933 352 H THR 44 H THR 44 23.706 -24.656 3.611 353 HA THR 44 HA THR 44 25.315 -25.897 5.642 354 HB THR 44 HB THR 44 26.870 -26.377 3.948 355 HG1 THR 44 HG1 THR 44 25.724 -24.443 2.208 356 HG21 THR 44 3HG2 THR 44 24.722 -27.533 3.545 357 HG22 THR 44 1HG2 THR 44 25.588 -27.233 2.035 358 HG23 THR 44 2HG2 THR 44 24.225 -26.202 2.490 359 H ASN 45 H ASN 45 25.543 -22.865 3.753 360 HA ASN 45 HA ASN 45 27.561 -21.717 5.551 361 HB2 ASN 45 2HB ASN 45 27.756 -21.330 3.112 362 HB3 ASN 45 3HB ASN 45 26.173 -20.557 3.082 363 HD21 ASN 45 1HD2 ASN 45 25.974 -18.444 3.974 364 HD22 ASN 45 2HD2 ASN 45 27.354 -17.448 4.268 365 H GLY 46 H GLY 46 24.091 -21.573 4.909 366 HA2 GLY 46 2HA GLY 46 22.435 -20.909 6.406 367 HA3 GLY 46 3HA GLY 46 23.637 -20.122 7.413 368 H LYS 47 H LYS 47 23.269 -19.649 3.963 369 HA LYS 47 HA LYS 47 22.783 -16.761 4.357 370 HB2 LYS 47 2HB LYS 47 23.675 -16.555 2.000 371 HB3 LYS 47 3HB LYS 47 24.844 -17.198 3.147 372 HG2 LYS 47 2HG LYS 47 24.381 -19.474 2.348 373 HG3 LYS 47 3HG LYS 47 23.216 -18.840 1.190 374 HD2 LYS 47 2HD LYS 47 26.175 -18.135 1.189 375 HD3 LYS 47 3HD LYS 47 25.471 -19.439 0.237 376 HE2 LYS 47 2HE LYS 47 25.613 -17.666 -1.286 377 HE3 LYS 47 3HE LYS 47 23.930 -17.609 -0.764 378 HZ1 LYS 47 3HZ LYS 47 25.020 -15.417 -0.852 379 HZ2 LYS 47 1HZ LYS 47 26.095 -15.908 0.355 380 HZ3 LYS 47 2HZ LYS 47 24.446 -15.783 0.687 381 H GLU 48 H GLU 48 20.949 -15.816 3.544 382 HA GLU 48 HA GLU 48 18.915 -17.496 2.259 383 HB2 GLU 48 2HB GLU 48 18.832 -14.657 3.350 384 HB3 GLU 48 3HB GLU 48 17.459 -15.444 2.568 385 HG2 GLU 48 2HG GLU 48 17.567 -17.238 4.312 386 HG3 GLU 48 3HG GLU 48 18.832 -16.321 5.109 387 H ILE 49 H ILE 49 18.681 -17.542 0.147 388 HA ILE 49 HA ILE 49 20.003 -15.557 -1.581 389 HB ILE 49 HB ILE 49 18.833 -18.300 -2.281 390 HG12 ILE 49 2HG1 ILE 49 21.313 -18.722 -2.993 391 HG13 ILE 49 3HG1 ILE 49 21.704 -17.298 -2.040 392 HG21 ILE 49 1HG2 ILE 49 20.130 -16.276 -4.148 393 HG22 ILE 49 2HG2 ILE 49 18.439 -16.778 -4.154 394 HG23 ILE 49 3HG2 ILE 49 19.700 -17.933 -4.581 395 HD11 ILE 49 3HD1 ILE 49 20.832 -18.405 -0.036 396 HD12 ILE 49 1HD1 ILE 49 22.111 -19.348 -0.802 397 HD13 ILE 49 2HD1 ILE 49 20.424 -19.826 -0.999 398 H TRP 50 H TRP 50 18.749 -13.912 -2.144 399 HA TRP 50 HA TRP 50 15.893 -14.346 -2.799 400 HB2 TRP 50 2HB TRP 50 17.283 -11.715 -2.069 401 HB3 TRP 50 3HB TRP 50 15.553 -11.968 -2.305 402 HD1 TRP 50 HD1 TRP 50 18.132 -11.924 0.394 403 HE1 TRP 50 HE1 TRP 50 17.141 -12.800 2.601 404 HE3 TRP 50 HE3 TRP 50 13.786 -13.967 -1.390 405 HZ2 TRP 50 HZ2 TRP 50 14.839 -14.134 3.477 406 HZ3 TRP 50 HZ3 TRP 50 12.251 -15.031 0.204 407 HH2 TRP 50 HH2 TRP 50 12.766 -15.116 2.587 408 H ASP 51 H ASP 51 15.274 -13.849 -4.857 409 HA ASP 51 HA ASP 51 17.164 -13.711 -6.965 410 HB2 ASP 51 2HB ASP 51 14.200 -12.989 -7.122 411 HB3 ASP 51 3HB ASP 51 15.233 -13.477 -8.461 412 H SER 52 H SER 52 18.187 -11.966 -7.785 413 HA SER 52 HA SER 52 18.034 -9.393 -6.658 414 HB2 SER 52 2HB SER 52 19.260 -10.145 -9.345 415 HB3 SER 52 3HB SER 52 19.666 -8.740 -8.361 416 HG SER 52 HG SER 52 20.348 -10.239 -6.725 417 H LYS 53 H LYS 53 16.679 -10.727 -9.641 418 HA LYS 53 HA LYS 53 15.528 -8.197 -10.522 419 HB2 LYS 53 2HB LYS 53 15.229 -10.971 -11.739 420 HB3 LYS 53 3HB LYS 53 14.810 -9.444 -12.503 421 HG2 LYS 53 2HG LYS 53 17.157 -8.810 -12.637 422 HG3 LYS 53 3HG LYS 53 17.629 -10.255 -11.735 423 HD2 LYS 53 2HD LYS 53 16.715 -11.678 -13.582 424 HD3 LYS 53 3HD LYS 53 16.313 -10.213 -14.482 425 HE2 LYS 53 2HE LYS 53 18.380 -11.129 -15.345 426 HE3 LYS 53 3HE LYS 53 18.744 -9.618 -14.508 427 HZ1 LYS 53 3HZ LYS 53 19.414 -10.952 -12.568 428 HZ2 LYS 53 1HZ LYS 53 20.355 -11.287 -13.935 429 HZ3 LYS 53 2HZ LYS 53 19.151 -12.370 -13.451 430 H TRP 54 H TRP 54 14.545 -10.211 -8.128 431 HA TRP 54 HA TRP 54 11.833 -10.790 -8.707 432 HB2 TRP 54 2HB TRP 54 12.982 -11.765 -6.737 433 HB3 TRP 54 3HB TRP 54 13.106 -10.183 -5.990 434 HD1 TRP 54 HD1 TRP 54 10.671 -13.071 -6.498 435 HE1 TRP 54 HE1 TRP 54 8.564 -12.670 -5.105 436 HE3 TRP 54 HE3 TRP 54 11.522 -8.252 -5.023 437 HZ2 TRP 54 HZ2 TRP 54 7.400 -10.640 -3.599 438 HZ3 TRP 54 HZ3 TRP 54 9.851 -7.148 -3.605 439 HH2 TRP 54 HH2 TRP 54 7.822 -8.320 -2.903 440 H SER 55 H SER 55 10.093 -9.500 -8.838 441 HA SER 55 HA SER 55 9.771 -7.124 -7.218 442 HB2 SER 55 2HB SER 55 9.148 -5.692 -9.204 443 HB3 SER 55 3HB SER 55 10.855 -6.119 -9.164 444 HG SER 55 HG SER 55 10.631 -7.294 -10.905 445 H LEU 56 H LEU 56 7.730 -7.204 -6.441 446 HA LEU 56 HA LEU 56 5.732 -8.876 -7.859 447 HB2 LEU 56 2HB LEU 56 6.477 -9.674 -5.605 448 HB3 LEU 56 3HB LEU 56 5.863 -8.192 -4.894 449 HG LEU 56 HG LEU 56 3.558 -8.834 -5.451 450 HD11 LEU 56 1HD1 LEU 56 3.941 -9.999 -7.577 451 HD12 LEU 56 2HD1 LEU 56 3.010 -11.004 -6.470 452 HD13 LEU 56 3HD1 LEU 56 4.727 -11.332 -6.725 453 HD21 LEU 56 3HD2 LEU 56 5.095 -11.097 -4.114 454 HD22 LEU 56 1HD2 LEU 56 3.350 -10.833 -3.998 455 HD23 LEU 56 2HD2 LEU 56 4.465 -9.646 -3.327 456 H THR 57 H THR 57 3.819 -8.003 -8.356 457 HA THR 57 HA THR 57 3.442 -5.099 -7.908 458 HB THR 57 HB THR 57 2.430 -6.823 -10.223 459 HG1 THR 57 HG1 THR 57 4.714 -6.647 -10.208 460 HG21 THR 57 3HG2 THR 57 2.003 -4.679 -11.357 461 HG22 THR 57 1HG2 THR 57 2.569 -3.790 -9.923 462 HG23 THR 57 2HG2 THR 57 1.098 -4.754 -9.853 463 H GLN 58 H GLN 58 1.800 -4.713 -6.495 464 HA GLN 58 HA GLN 58 -0.499 -6.595 -6.402 465 HB2 GLN 58 2HB GLN 58 0.666 -5.017 -4.067 466 HB3 GLN 58 3HB GLN 58 -0.715 -6.102 -3.997 467 HG2 GLN 58 2HG GLN 58 2.112 -6.952 -4.667 468 HG3 GLN 58 3HG GLN 58 1.376 -7.073 -3.073 469 HE21 GLN 58 1HE2 GLN 58 1.614 -9.263 -2.968 470 HE22 GLN 58 2HE2 GLN 58 0.718 -10.381 -3.928 471 H THR 59 H THR 59 -2.539 -5.679 -6.055 472 HA THR 59 HA THR 59 -2.838 -3.213 -7.582 473 HB THR 59 HB THR 59 -4.900 -5.319 -6.751 474 HG1 THR 59 HG1 THR 59 -2.905 -5.417 -8.562 475 HG21 THR 59 3HG2 THR 59 -5.948 -3.168 -7.402 476 HG22 THR 59 1HG2 THR 59 -6.262 -4.417 -8.604 477 HG23 THR 59 2HG2 THR 59 -5.045 -3.180 -8.920 478 H PHE 60 H PHE 60 -2.963 -1.354 -6.391 479 HA PHE 60 HA PHE 60 -4.685 -1.191 -3.981 480 HB2 PHE 60 2HB PHE 60 -2.416 0.468 -5.052 481 HB3 PHE 60 3HB PHE 60 -3.697 1.363 -4.257 482 HD1 PHE 60 HD1 PHE 60 -4.508 -0.148 -1.985 483 HD2 PHE 60 HD2 PHE 60 -0.583 0.274 -3.630 484 HE1 PHE 60 HE1 PHE 60 -3.526 -0.569 0.230 485 HE2 PHE 60 HE2 PHE 60 0.378 -0.153 -1.419 486 HZ PHE 60 HZ PHE 60 -1.087 -0.573 0.512 487 H GLU 61 H GLU 61 -6.760 -1.130 -4.735 488 HA GLU 61 HA GLU 61 -7.701 1.388 -5.733 489 HB2 GLU 61 2HB GLU 61 -8.873 0.584 -7.738 490 HB3 GLU 61 3HB GLU 61 -7.140 0.323 -7.907 491 HG2 GLU 61 2HG GLU 61 -7.414 -2.062 -7.392 492 HG3 GLU 61 3HG GLU 61 -9.137 -1.824 -7.109 493 H ALA 62 H ALA 62 -10.301 0.716 -6.411 494 HA ALA 62 HA ALA 62 -12.357 0.118 -5.666 495 HB1 ALA 62 3HB ALA 62 -12.662 -2.005 -4.482 496 HB2 ALA 62 1HB ALA 62 -10.937 -2.079 -4.112 497 HB3 ALA 62 2HB ALA 62 -11.488 -2.210 -5.783 498 H LEU 63 H LEU 63 -10.473 1.932 -4.086 499 HA LEU 63 HA LEU 63 -11.518 1.697 -1.339 500 HB2 LEU 63 2HB LEU 63 -9.045 1.711 -1.654 501 HB3 LEU 63 3HB LEU 63 -9.158 3.281 -2.431 502 HG LEU 63 HG LEU 63 -9.923 4.300 -0.307 503 HD11 LEU 63 1HD1 LEU 63 -11.093 2.389 0.657 504 HD12 LEU 63 2HD1 LEU 63 -9.911 3.038 1.786 505 HD13 LEU 63 3HD1 LEU 63 -9.561 1.547 0.905 506 HD21 LEU 63 3HD2 LEU 63 -7.508 4.220 -0.801 507 HD22 LEU 63 1HD2 LEU 63 -7.377 2.682 0.054 508 HD23 LEU 63 2HD2 LEU 63 -7.818 4.151 0.929 509 HA PRO 64 HA PRO 64 -13.904 5.308 -2.903 510 HB2 PRO 64 2HB PRO 64 -16.285 4.685 -1.871 511 HB3 PRO 64 3HB PRO 64 -15.577 3.637 -3.120 512 HG2 PRO 64 2HG PRO 64 -15.703 3.205 -0.162 513 HG3 PRO 64 3HG PRO 64 -15.924 2.036 -1.482 514 HD2 PRO 64 2HD PRO 64 -13.508 2.476 -0.054 515 HD3 PRO 64 3HD PRO 64 -13.684 1.573 -1.572 516 H SER 65 H SER 65 -15.759 6.598 -1.509 517 HA SER 65 HA SER 65 -14.988 7.161 1.245 518 HB2 SER 65 2HB SER 65 -14.621 9.557 0.854 519 HB3 SER 65 3HB SER 65 -13.527 8.654 -0.194 520 HG SER 65 HG SER 65 -15.309 8.888 -1.801 521 HA PRO 66 HA PRO 66 -19.489 7.589 1.694 522 HB2 PRO 66 2HB PRO 66 -19.473 9.786 3.523 523 HB3 PRO 66 3HB PRO 66 -19.434 8.067 3.948 524 HG2 PRO 66 2HG PRO 66 -17.174 10.008 3.737 525 HG3 PRO 66 3HG PRO 66 -17.421 8.671 4.887 526 HD2 PRO 66 2HD PRO 66 -15.689 8.414 2.869 527 HD3 PRO 66 3HD PRO 66 -16.718 7.047 3.351 528 H VAL 67 H VAL 67 -21.095 8.681 0.650 529 HA VAL 67 HA VAL 67 -20.386 11.001 -0.993 530 HB VAL 67 HB VAL 67 -23.040 9.470 -0.956 531 HG11 VAL 67 1HG1 VAL 67 -23.212 11.722 -1.933 532 HG12 VAL 67 2HG1 VAL 67 -23.391 10.495 -3.185 533 HG13 VAL 67 3HG1 VAL 67 -21.870 11.376 -3.030 534 HG21 VAL 67 3HG2 VAL 67 -22.211 8.234 -2.930 535 HG22 VAL 67 1HG2 VAL 67 -21.196 7.936 -1.516 536 HG23 VAL 67 2HG2 VAL 67 -20.643 9.031 -2.783 537 H ILE 68 H ILE 68 -20.493 12.856 0.078 538 HA ILE 68 HA ILE 68 -22.724 13.468 1.923 539 HB ILE 68 HB ILE 68 -20.081 14.970 1.496 540 HG12 ILE 68 2HG1 ILE 68 -20.821 13.067 3.777 541 HG13 ILE 68 3HG1 ILE 68 -19.753 12.656 2.440 542 HG21 ILE 68 1HG2 ILE 68 -22.183 15.275 3.681 543 HG22 ILE 68 2HG2 ILE 68 -21.871 16.416 2.371 544 HG23 ILE 68 3HG2 ILE 68 -20.643 16.137 3.604 545 HD11 ILE 68 3HD1 ILE 68 -18.494 13.173 4.413 546 HD12 ILE 68 1HD1 ILE 68 -19.251 14.761 4.531 547 HD13 ILE 68 2HD1 ILE 68 -18.188 14.387 3.173 548 H ILE 69 H ILE 69 -24.212 15.014 1.286 549 HA ILE 69 HA ILE 69 -24.243 15.738 -1.515 550 HB ILE 69 HB ILE 69 -26.235 16.477 0.688 551 HG12 ILE 69 2HG1 ILE 69 -26.063 14.029 0.511 552 HG13 ILE 69 3HG1 ILE 69 -27.602 14.553 -0.151 553 HG21 ILE 69 1HG2 ILE 69 -26.579 16.511 -2.334 554 HG22 ILE 69 2HG2 ILE 69 -26.461 17.925 -1.287 555 HG23 ILE 69 3HG2 ILE 69 -27.848 16.845 -1.152 556 HD11 ILE 69 3HD1 ILE 69 -25.169 13.729 -1.750 557 HD12 ILE 69 1HD1 ILE 69 -26.707 14.269 -2.429 558 HD13 ILE 69 2HD1 ILE 69 -26.630 12.778 -1.491 559 H GLY 70 H GLY 70 -23.739 17.695 -2.389 560 HA2 GLY 70 2HA GLY 70 -23.112 19.917 -2.532 561 HA3 GLY 70 3HA GLY 70 -23.389 20.106 -0.805 562 H TYR 71 H TYR 71 -21.451 17.408 -1.389 563 HA TYR 71 HA TYR 71 -18.887 18.860 -1.341 564 HB2 TYR 71 2HB TYR 71 -19.783 16.793 0.725 565 HB3 TYR 71 3HB TYR 71 -18.096 17.234 0.486 566 HD1 TYR 71 HD1 TYR 71 -17.290 19.500 1.120 567 HD2 TYR 71 HD2 TYR 71 -21.310 18.292 1.912 568 HE1 TYR 71 HE1 TYR 71 -17.534 21.358 2.705 569 HE2 TYR 71 HE2 TYR 71 -21.550 20.145 3.505 570 HH TYR 71 HH TYR 71 -19.211 22.688 3.743 571 H THR 72 H THR 72 -17.235 17.709 -2.303 572 HA THR 72 HA THR 72 -17.556 14.843 -2.817 573 HB THR 72 HB THR 72 -16.737 16.761 -5.069 574 HG1 THR 72 HG1 THR 72 -19.228 15.690 -4.341 575 HG21 THR 72 3HG2 THR 72 -17.290 13.757 -5.090 576 HG22 THR 72 1HG2 THR 72 -15.703 14.507 -5.241 577 HG23 THR 72 2HG2 THR 72 -16.913 14.738 -6.508 578 H ALA 73 H ALA 73 -15.661 13.806 -2.551 579 HA ALA 73 HA ALA 73 -13.584 15.094 -1.131 580 HB1 ALA 73 3HB ALA 73 -12.532 12.853 -1.126 581 HB2 ALA 73 1HB ALA 73 -13.734 12.298 -2.289 582 HB3 ALA 73 2HB ALA 73 -14.236 12.792 -0.672 583 H ASP 74 H ASP 74 -11.339 15.160 -1.655 584 HA ASP 74 HA ASP 74 -10.663 16.188 -4.215 585 HB2 ASP 74 2HB ASP 74 -9.548 16.732 -1.973 586 HB3 ASP 74 3HB ASP 74 -8.735 15.176 -2.061 587 H LYS 75 H LYS 75 -10.604 13.041 -2.819 588 HA LYS 75 HA LYS 75 -10.299 11.811 -5.417 589 HB2 LYS 75 2HB LYS 75 -8.726 10.025 -4.472 590 HB3 LYS 75 3HB LYS 75 -8.004 11.580 -4.818 591 HG2 LYS 75 2HG LYS 75 -8.930 10.984 -2.016 592 HG3 LYS 75 3HG LYS 75 -7.427 10.277 -2.588 593 HD2 LYS 75 2HD LYS 75 -8.036 13.258 -2.525 594 HD3 LYS 75 3HD LYS 75 -7.072 12.389 -1.329 595 HE2 LYS 75 2HE LYS 75 -5.439 11.777 -3.071 596 HE3 LYS 75 3HE LYS 75 -6.407 12.624 -4.282 597 HZ1 LYS 75 3HZ LYS 75 -6.005 14.688 -3.135 598 HZ2 LYS 75 1HZ LYS 75 -4.529 13.945 -3.479 599 HZ3 LYS 75 2HZ LYS 75 -5.171 13.915 -1.908 600 HA PRO 76 HA PRO 76 -13.752 10.210 -2.781 601 HB2 PRO 76 2HB PRO 76 -15.597 9.939 -4.790 602 HB3 PRO 76 3HB PRO 76 -15.263 11.496 -4.007 603 HG2 PRO 76 2HG PRO 76 -14.252 10.451 -6.623 604 HG3 PRO 76 3HG PRO 76 -14.860 12.073 -6.220 605 HD2 PRO 76 2HD PRO 76 -12.194 11.495 -6.380 606 HD3 PRO 76 3HD PRO 76 -12.841 12.737 -5.283 607 H MET 77 H MET 77 -11.926 8.898 -5.322 608 HA MET 77 HA MET 77 -12.353 6.186 -4.329 609 HB2 MET 77 2HB MET 77 -13.834 6.412 -6.342 610 HB3 MET 77 3HB MET 77 -12.444 6.904 -7.301 611 HG2 MET 77 2HG MET 77 -11.403 4.700 -6.866 612 HG3 MET 77 3HG MET 77 -12.864 4.201 -6.008 613 HE1 MET 77 3HE MET 77 -12.941 2.035 -7.651 614 HE2 MET 77 1HE MET 77 -11.518 2.611 -8.519 615 HE3 MET 77 2HE MET 77 -12.973 2.165 -9.410 616 H VAL 78 H VAL 78 -10.338 6.287 -3.391 617 HA VAL 78 HA VAL 78 -7.943 7.179 -4.665 618 HB VAL 78 HB VAL 78 -8.404 5.509 -2.145 619 HG11 VAL 78 1HG1 VAL 78 -6.199 4.900 -3.020 620 HG12 VAL 78 2HG1 VAL 78 -6.023 5.885 -1.569 621 HG13 VAL 78 3HG1 VAL 78 -5.750 6.603 -3.158 622 HG21 VAL 78 3HG2 VAL 78 -9.161 7.841 -2.002 623 HG22 VAL 78 1HG2 VAL 78 -7.567 8.409 -2.511 624 HG23 VAL 78 2HG2 VAL 78 -7.758 7.577 -0.966 625 H GLY 79 H GLY 79 -7.116 6.163 -6.352 626 HA2 GLY 79 2HA GLY 79 -6.816 3.214 -6.330 627 HA3 GLY 79 3HA GLY 79 -7.466 4.040 -7.734 628 HA PRO 80 HA PRO 80 -2.598 4.963 -7.504 629 HB2 PRO 80 2HB PRO 80 -1.811 2.707 -5.674 630 HB3 PRO 80 3HB PRO 80 -1.200 4.374 -5.745 631 HG2 PRO 80 2HG PRO 80 -2.773 3.614 -3.745 632 HG3 PRO 80 3HG PRO 80 -2.953 5.233 -4.469 633 HD2 PRO 80 2HD PRO 80 -4.615 2.752 -4.949 634 HD3 PRO 80 3HD PRO 80 -5.147 4.430 -4.667 635 H ASP 81 H ASP 81 -4.533 2.261 -7.919 636 HA ASP 81 HA ASP 81 -4.805 0.821 -9.579 637 HB2 ASP 81 2HB ASP 81 -4.011 2.496 -11.153 638 HB3 ASP 81 3HB ASP 81 -2.333 2.164 -10.755 639 H GLU 82 H GLU 82 -1.333 0.621 -9.877 640 HA GLU 82 HA GLU 82 -1.163 -1.763 -8.136 641 HB2 GLU 82 2HB GLU 82 -0.357 -1.692 -11.076 642 HB3 GLU 82 3HB GLU 82 0.257 -2.899 -9.954 643 HG2 GLU 82 2HG GLU 82 -2.040 -3.691 -9.528 644 HG3 GLU 82 3HG GLU 82 -2.664 -2.472 -10.626 645 H VAL 83 H VAL 83 0.722 -1.982 -7.065 646 HA VAL 83 HA VAL 83 2.921 -0.057 -7.558 647 HB VAL 83 HB VAL 83 2.013 -1.295 -4.897 648 HG11 VAL 83 1HG1 VAL 83 4.367 0.574 -5.413 649 HG12 VAL 83 2HG1 VAL 83 4.463 -1.125 -4.944 650 HG13 VAL 83 3HG1 VAL 83 3.787 0.055 -3.826 651 HG21 VAL 83 3HG2 VAL 83 1.964 1.608 -5.829 652 HG22 VAL 83 1HG2 VAL 83 1.478 1.025 -4.231 653 HG23 VAL 83 2HG2 VAL 83 0.562 0.550 -5.660 654 H THR 84 H THR 84 4.688 -1.038 -8.341 655 HA THR 84 HA THR 84 5.189 -3.904 -7.856 656 HB THR 84 HB THR 84 6.666 -2.018 -9.758 657 HG1 THR 84 HG1 THR 84 4.488 -3.761 -10.338 658 HG21 THR 84 3HG2 THR 84 7.326 -4.083 -10.920 659 HG22 THR 84 1HG2 THR 84 6.463 -5.053 -9.719 660 HG23 THR 84 2HG2 THR 84 7.878 -4.109 -9.246 661 H VAL 85 H VAL 85 6.158 -4.032 -5.845 662 HA VAL 85 HA VAL 85 8.453 -2.301 -5.178 663 HB VAL 85 HB VAL 85 6.969 -4.405 -3.513 664 HG11 VAL 85 1HG1 VAL 85 9.335 -4.436 -2.861 665 HG12 VAL 85 2HG1 VAL 85 8.355 -3.710 -1.591 666 HG13 VAL 85 3HG1 VAL 85 9.326 -2.680 -2.646 667 HG21 VAL 85 3HG2 VAL 85 6.243 -2.479 -2.150 668 HG22 VAL 85 1HG2 VAL 85 5.721 -2.317 -3.827 669 HG23 VAL 85 2HG2 VAL 85 7.094 -1.378 -3.238 670 H ASP 86 H ASP 86 10.458 -2.950 -5.529 671 HA ASP 86 HA ASP 86 11.066 -5.542 -6.724 672 HB2 ASP 86 2HB ASP 86 12.835 -3.124 -6.117 673 HB3 ASP 86 3HB ASP 86 13.369 -4.562 -6.989 674 H SER 87 H SER 87 12.943 -6.718 -6.000 675 HA SER 87 HA SER 87 13.211 -7.357 -3.281 676 HB2 SER 87 2HB SER 87 13.880 -8.822 -5.211 677 HB3 SER 87 3HB SER 87 15.239 -7.757 -5.536 678 HG SER 87 HG SER 87 15.864 -9.573 -4.319 679 H LYS 88 H LYS 88 14.614 -4.927 -5.260 680 HA LYS 88 HA LYS 88 16.961 -4.180 -3.937 681 HB2 LYS 88 2HB LYS 88 15.053 -2.397 -5.529 682 HB3 LYS 88 3HB LYS 88 16.769 -2.101 -5.253 683 HG2 LYS 88 2HG LYS 88 17.374 -4.016 -6.632 684 HG3 LYS 88 3HG LYS 88 15.675 -4.466 -6.811 685 HD2 LYS 88 2HD LYS 88 15.258 -2.317 -8.020 686 HD3 LYS 88 3HD LYS 88 16.977 -1.927 -7.888 687 HE2 LYS 88 2HE LYS 88 15.802 -4.312 -9.363 688 HE3 LYS 88 3HE LYS 88 16.437 -2.845 -10.106 689 HZ1 LYS 88 3HZ LYS 88 18.030 -4.733 -8.459 690 HZ2 LYS 88 1HZ LYS 88 18.612 -3.365 -9.267 691 HZ3 LYS 88 2HZ LYS 88 18.032 -4.682 -10.146 692 H ASN 89 H ASN 89 13.685 -2.721 -3.778 693 HA ASN 89 HA ASN 89 14.409 -1.243 -1.319 694 HB2 ASN 89 2HB ASN 89 12.656 0.342 -1.889 695 HB3 ASN 89 3HB ASN 89 13.682 0.114 -3.301 696 HD21 ASN 89 1HD2 ASN 89 10.789 0.913 -2.885 697 HD22 ASN 89 2HD2 ASN 89 9.916 -0.085 -3.988 698 H PHE 90 H PHE 90 13.279 -4.129 -1.773 699 HA PHE 90 HA PHE 90 10.700 -4.309 -0.664 700 HB2 PHE 90 2HB PHE 90 11.842 -6.175 -1.853 701 HB3 PHE 90 3HB PHE 90 12.976 -6.352 -0.519 702 HD1 PHE 90 HD1 PHE 90 9.416 -6.741 -1.530 703 HD2 PHE 90 HD2 PHE 90 12.343 -7.560 1.471 704 HE1 PHE 90 HE1 PHE 90 7.853 -8.285 -0.415 705 HE2 PHE 90 HE2 PHE 90 10.782 -9.095 2.565 706 HZ PHE 90 HZ PHE 90 8.538 -9.475 1.628 707 H LEU 91 H LEU 91 13.749 -3.669 0.789 708 HA LEU 91 HA LEU 91 13.233 -4.608 3.443 709 HB2 LEU 91 2HB LEU 91 15.344 -2.664 2.425 710 HB3 LEU 91 3HB LEU 91 15.304 -3.357 4.036 711 HG LEU 91 HG LEU 91 16.949 -4.598 2.852 712 HD11 LEU 91 1HD1 LEU 91 14.427 -6.286 2.845 713 HD12 LEU 91 2HD1 LEU 91 15.488 -6.000 4.226 714 HD13 LEU 91 3HD1 LEU 91 16.085 -6.893 2.830 715 HD21 LEU 91 3HD2 LEU 91 16.358 -3.938 0.537 716 HD22 LEU 91 1HD2 LEU 91 14.993 -5.058 0.562 717 HD23 LEU 91 2HD2 LEU 91 16.647 -5.671 0.665 718 H ASP 92 H ASP 92 12.575 -1.688 1.706 719 HA ASP 92 HA ASP 92 11.822 -0.144 4.079 720 HB2 ASP 92 2HB ASP 92 13.003 0.997 2.220 721 HB3 ASP 92 3HB ASP 92 11.715 0.563 1.111 722 H LYS 93 H LYS 93 9.745 0.110 4.711 723 HA LYS 93 HA LYS 93 7.580 -1.160 3.167 724 HB2 LYS 93 2HB LYS 93 6.207 -1.009 5.159 725 HB3 LYS 93 3HB LYS 93 7.748 -1.733 5.598 726 HG2 LYS 93 2HG LYS 93 8.474 0.311 6.671 727 HG3 LYS 93 3HG LYS 93 7.071 1.188 6.065 728 HD2 LYS 93 2HD LYS 93 5.623 -0.448 7.416 729 HD3 LYS 93 3HD LYS 93 7.113 -1.030 8.161 730 HE2 LYS 93 2HE LYS 93 6.042 1.812 8.303 731 HE3 LYS 93 3HE LYS 93 5.957 0.610 9.588 732 HZ1 LYS 93 3HZ LYS 93 7.768 2.149 9.952 733 HZ2 LYS 93 1HZ LYS 93 8.447 1.753 8.454 734 HZ3 LYS 93 2HZ LYS 93 8.372 0.596 9.679 735 H GLN 94 H GLN 94 5.899 0.016 2.327 736 HA GLN 94 HA GLN 94 6.298 2.942 2.167 737 HB2 GLN 94 2HB GLN 94 4.447 1.297 0.413 738 HB3 GLN 94 3HB GLN 94 5.115 2.889 0.091 739 HG2 GLN 94 2HG GLN 94 7.342 1.885 -0.234 740 HG3 GLN 94 3HG GLN 94 6.668 0.288 0.110 741 HE21 GLN 94 1HE2 GLN 94 7.988 1.201 -2.319 742 HE22 GLN 94 2HE2 GLN 94 6.846 0.975 -3.594 743 H ASN 95 H ASN 95 5.331 2.474 4.545 744 HA ASN 95 HA ASN 95 2.586 2.079 4.922 745 HB2 ASN 95 2HB ASN 95 4.152 2.044 6.801 746 HB3 ASN 95 3HB ASN 95 4.523 3.753 6.580 747 HD21 ASN 95 1HD2 ASN 95 3.013 5.296 7.297 748 HD22 ASN 95 2HD2 ASN 95 1.663 4.876 8.289 749 H ARG 96 H ARG 96 1.261 3.091 3.598 750 HA ARG 96 HA ARG 96 1.547 5.881 2.799 751 HB2 ARG 96 2HB ARG 96 1.147 4.049 1.139 752 HB3 ARG 96 3HB ARG 96 -0.391 3.682 1.909 753 HG2 ARG 96 2HG ARG 96 -1.245 5.894 1.278 754 HG3 ARG 96 3HG ARG 96 0.305 6.292 0.536 755 HD2 ARG 96 2HD ARG 96 -0.030 4.382 -1.060 756 HD3 ARG 96 3HD ARG 96 -1.637 4.133 -0.357 757 HE ARG 96 HE ARG 96 -2.214 6.390 -1.100 758 HH11 ARG 96 1HH1 ARG 96 0.526 4.836 -2.685 759 HH12 ARG 96 2HH1 ARG 96 0.395 5.809 -4.122 760 HH21 ARG 96 2HH2 ARG 96 -2.383 7.663 -2.963 761 HH22 ARG 96 1HH2 ARG 96 -1.265 7.426 -4.276 762 H GLU 97 H GLU 97 0.033 7.479 3.317 763 HA GLU 97 HA GLU 97 -2.481 6.797 4.608 764 HB2 GLU 97 2HB GLU 97 -0.983 6.987 6.543 765 HB3 GLU 97 3HB GLU 97 -0.424 8.569 6.009 766 HG2 GLU 97 2HG GLU 97 -2.517 9.596 6.494 767 HG3 GLU 97 3HG GLU 97 -3.344 8.050 6.646 768 H GLU 98 H GLU 98 -4.035 8.012 3.746 769 HA GLU 98 HA GLU 98 -3.437 10.727 2.720 770 HB2 GLU 98 2HB GLU 98 -5.130 8.662 1.206 771 HB3 GLU 98 3HB GLU 98 -4.738 10.306 0.692 772 HG2 GLU 98 2HG GLU 98 -2.301 9.633 0.631 773 HG3 GLU 98 3HG GLU 98 -2.820 7.981 0.950 774 H THR 99 H THR 99 -5.020 12.197 3.154 775 HA THR 99 HA THR 99 -7.631 11.253 4.176 776 HB THR 99 HB THR 99 -6.380 14.047 4.356 777 HG1 THR 99 HG1 THR 99 -5.349 12.509 5.708 778 HG21 THR 99 3HG2 THR 99 -8.856 14.118 4.336 779 HG22 THR 99 1HG2 THR 99 -8.221 14.540 5.928 780 HG23 THR 99 2HG2 THR 99 -8.911 12.939 5.650 781 H VAL 100 H VAL 100 -9.366 11.495 2.846 782 HA VAL 100 HA VAL 100 -9.134 12.980 0.346 783 HB VAL 100 HB VAL 100 -11.288 12.137 -0.256 784 HG11 VAL 100 1HG1 VAL 100 -11.023 9.705 -0.061 785 HG12 VAL 100 2HG1 VAL 100 -9.856 9.923 1.246 786 HG13 VAL 100 3HG1 VAL 100 -9.476 10.490 -0.380 787 HG21 VAL 100 3HG2 VAL 100 -11.705 11.216 2.610 788 HG22 VAL 100 1HG2 VAL 100 -12.795 10.901 1.256 789 HG23 VAL 100 2HG2 VAL 100 -12.532 12.554 1.808 790 H ILE 101 H ILE 101 -10.185 14.908 -0.056 791 HA ILE 101 HA ILE 101 -11.059 16.413 2.349 792 HB ILE 101 HB ILE 101 -9.503 17.341 -0.096 793 HG12 ILE 101 2HG1 ILE 101 -8.147 16.244 1.659 794 HG13 ILE 101 3HG1 ILE 101 -7.759 17.956 1.561 795 HG21 ILE 101 1HG2 ILE 101 -10.679 19.081 2.101 796 HG22 ILE 101 2HG2 ILE 101 -11.134 19.084 0.395 797 HG23 ILE 101 3HG2 ILE 101 -9.526 19.624 0.878 798 HD11 ILE 101 3HD1 ILE 101 -9.483 16.634 3.663 799 HD12 ILE 101 1HD1 ILE 101 -9.136 18.363 3.570 800 HD13 ILE 101 2HD1 ILE 101 -7.832 17.215 3.866 801 H TYR 102 H TYR 102 -13.178 16.548 2.336 802 HA TYR 102 HA TYR 102 -14.814 16.589 -0.012 803 HB2 TYR 102 2HB TYR 102 -15.447 16.938 2.949 804 HB3 TYR 102 3HB TYR 102 -16.674 16.966 1.682 805 HD1 TYR 102 HD1 TYR 102 -17.073 14.942 0.283 806 HD2 TYR 102 HD2 TYR 102 -14.500 14.837 3.692 807 HE1 TYR 102 HE1 TYR 102 -17.160 12.492 0.288 808 HE2 TYR 102 HE2 TYR 102 -14.600 12.387 3.694 809 HH TYR 102 HH TYR 102 -16.088 10.644 1.086 810 H SER 103 H SER 103 -14.752 18.296 -1.194 811 HA SER 103 HA SER 103 -14.667 21.001 -0.044 812 HB2 SER 103 2HB SER 103 -13.624 21.551 -2.354 813 HB3 SER 103 3HB SER 103 -12.606 20.655 -1.229 814 HG SER 103 HG SER 103 -13.289 18.731 -2.335 815 H ALA 104 H ALA 104 -16.083 22.469 -1.075 816 HA ALA 104 HA ALA 104 -18.673 21.557 -1.519 817 HB1 ALA 104 3HB ALA 104 -18.125 23.851 -0.766 818 HB2 ALA 104 1HB ALA 104 -19.178 23.890 -2.182 819 HB3 ALA 104 2HB ALA 104 -17.454 24.221 -2.352 820 H ASN 105 H ASN 105 -19.674 20.707 -3.264 821 HA ASN 105 HA ASN 105 -18.253 20.320 -5.741 822 HB2 ASN 105 2HB ASN 105 -20.223 19.058 -6.489 823 HB3 ASN 105 3HB ASN 105 -19.714 18.534 -4.892 824 HD21 ASN 105 1HD2 ASN 105 -21.863 17.570 -4.878 825 HD22 ASN 105 2HD2 ASN 105 -23.222 18.530 -4.407 826 H THR 106 H THR 106 -19.292 20.823 -7.868 827 HA THR 106 HA THR 106 -19.414 23.478 -8.493 828 HB THR 106 HB THR 106 -19.147 21.866 -10.255 829 HG1 THR 106 HG1 THR 106 -20.559 23.886 -10.604 830 HG21 THR 106 3HG2 THR 106 -20.491 20.010 -9.323 831 HG22 THR 106 1HG2 THR 106 -20.933 20.333 -11.004 832 HG23 THR 106 2HG2 THR 106 -21.974 20.890 -9.696 833 H ILE 107 H ILE 107 -22.099 21.488 -7.409 834 HA ILE 107 HA ILE 107 -24.317 23.012 -8.256 835 HB ILE 107 HB ILE 107 -24.105 21.180 -5.815 836 HG12 ILE 107 2HG1 ILE 107 -24.964 20.363 -8.633 837 HG13 ILE 107 3HG1 ILE 107 -23.342 20.104 -7.997 838 HG21 ILE 107 1HG2 ILE 107 -26.558 21.985 -7.415 839 HG22 ILE 107 2HG2 ILE 107 -26.154 22.525 -5.785 840 HG23 ILE 107 3HG2 ILE 107 -26.534 20.829 -6.083 841 HD11 ILE 107 3HD1 ILE 107 -24.242 18.668 -6.251 842 HD12 ILE 107 1HD1 ILE 107 -24.682 18.090 -7.859 843 HD13 ILE 107 2HD1 ILE 107 -25.877 18.927 -6.867 844 H THR 108 H THR 108 -22.520 22.978 -5.181 845 HA THR 108 HA THR 108 -24.225 25.079 -4.061 846 HB THR 108 HB THR 108 -23.829 23.011 -2.752 847 HG1 THR 108 HG1 THR 108 -22.576 25.135 -1.353 848 HG21 THR 108 3HG2 THR 108 -21.523 22.490 -3.407 849 HG22 THR 108 1HG2 THR 108 -21.667 22.609 -1.655 850 HG23 THR 108 2HG2 THR 108 -20.947 23.936 -2.570 851 H GLN 109 H GLN 109 -21.177 24.805 -5.605 852 HA GLN 109 HA GLN 109 -19.706 26.838 -4.211 853 HB2 GLN 109 2HB GLN 109 -19.391 25.622 -6.977 854 HB3 GLN 109 3HB GLN 109 -18.347 26.928 -6.425 855 HG2 GLN 109 2HG GLN 109 -17.609 25.522 -4.538 856 HG3 GLN 109 3HG GLN 109 -18.616 24.208 -5.126 857 HE21 GLN 109 1HE2 GLN 109 -15.687 26.038 -5.682 858 HE22 GLN 109 2HE2 GLN 109 -15.014 24.977 -6.866 859 H ASN 110 H ASN 110 -19.432 29.001 -4.620 860 HA ASN 110 HA ASN 110 -21.206 30.655 -6.048 861 HB2 ASN 110 2HB ASN 110 -18.269 31.183 -5.385 862 HB3 ASN 110 3HB ASN 110 -19.454 32.408 -5.821 863 HD21 ASN 110 1HD2 ASN 110 -21.591 31.410 -4.155 864 HD22 ASN 110 2HD2 ASN 110 -21.136 31.718 -2.521 865 H LYS 111 H LYS 111 -21.273 31.179 -8.202 866 HA LYS 111 HA LYS 111 -21.122 30.809 -10.414 867 HB2 LYS 111 2HB LYS 111 -18.139 30.840 -9.838 868 HB3 LYS 111 3HB LYS 111 -18.828 30.813 -11.454 869 HG2 LYS 111 2HG LYS 111 -19.196 33.026 -9.410 870 HG3 LYS 111 3HG LYS 111 -18.136 33.075 -10.823 871 HD2 LYS 111 2HD LYS 111 -20.199 32.758 -12.270 872 HD3 LYS 111 3HD LYS 111 -21.172 32.943 -10.806 873 HE2 LYS 111 2HE LYS 111 -19.289 35.021 -11.967 874 HE3 LYS 111 3HE LYS 111 -21.048 35.047 -12.066 875 HZ1 LYS 111 3HZ LYS 111 -20.353 36.488 -10.322 876 HZ2 LYS 111 1HZ LYS 111 -19.394 35.293 -9.620 877 HZ3 LYS 111 2HZ LYS 111 -21.073 35.137 -9.602 878 H LYS 112 H LYS 112 -22.149 28.891 -10.533 879 HA LYS 112 HA LYS 112 -21.054 26.377 -9.722 880 HB2 LYS 112 2HB LYS 112 -23.476 26.886 -11.498 881 HB3 LYS 112 3HB LYS 112 -23.099 25.393 -10.642 882 HG2 LYS 112 2HG LYS 112 -23.384 26.587 -8.483 883 HG3 LYS 112 3HG LYS 112 -23.821 28.045 -9.386 884 HD2 LYS 112 2HD LYS 112 -25.765 26.896 -10.359 885 HD3 LYS 112 3HD LYS 112 -25.321 25.397 -9.538 886 HE2 LYS 112 2HE LYS 112 -27.145 26.481 -8.362 887 HE3 LYS 112 3HE LYS 112 -25.702 26.514 -7.352 888 HZ1 LYS 112 3HZ LYS 112 -26.810 28.759 -8.939 889 HZ2 LYS 112 1HZ LYS 112 -25.356 28.813 -8.081 890 HZ3 LYS 112 2HZ LYS 112 -26.808 28.603 -7.260 891 H ASP 113 H ASP 113 -21.966 27.764 -12.846 892 HA ASP 113 HA ASP 113 -21.447 27.417 -15.007 893 HB2 ASP 113 2HB ASP 113 -18.928 26.082 -13.918 894 HB3 ASP 113 3HB ASP 113 -19.220 26.316 -15.636 895 H GLY 114 H GLY 114 -20.100 24.384 -13.740 896 HA2 GLY 114 2HA GLY 114 -20.765 22.203 -13.864 897 HA3 GLY 114 3HA GLY 114 -22.406 22.782 -14.084 898 H LEU 115 H LEU 115 -19.973 23.806 -16.313 899 HA LEU 115 HA LEU 115 -21.270 22.752 -18.611 900 HB2 LEU 115 2HB LEU 115 -18.446 23.866 -18.310 901 HB3 LEU 115 3HB LEU 115 -19.289 23.641 -19.835 902 HG LEU 115 HG LEU 115 -20.113 25.584 -17.638 903 HD11 LEU 115 1HD1 LEU 115 -18.847 26.152 -20.336 904 HD12 LEU 115 2HD1 LEU 115 -18.078 26.336 -18.757 905 HD13 LEU 115 3HD1 LEU 115 -19.438 27.365 -19.195 906 HD21 LEU 115 3HD2 LEU 115 -22.084 24.788 -18.818 907 HD22 LEU 115 1HD2 LEU 115 -21.338 25.140 -20.380 908 HD23 LEU 115 2HD2 LEU 115 -21.752 26.455 -19.276 909 H GLU 116 H GLU 116 -18.294 21.918 -16.895 910 HA GLU 116 HA GLU 116 -18.556 19.106 -17.797 911 HB2 GLU 116 2HB GLU 116 -16.121 20.577 -16.661 912 HB3 GLU 116 3HB GLU 116 -16.195 18.837 -16.898 913 HG2 GLU 116 2HG GLU 116 -14.956 19.717 -18.717 914 HG3 GLU 116 3HG GLU 116 -16.530 19.245 -19.354 915 H HIS 117 H HIS 117 -18.449 17.507 -16.127 916 HA HIS 117 HA HIS 117 -18.530 18.423 -13.304 917 HB2 HIS 117 2HB HIS 117 -20.212 16.182 -14.531 918 HB3 HIS 117 3HB HIS 117 -20.094 16.520 -12.803 919 HD1 HIS 117 HD1 HIS 117 -22.442 16.958 -15.285 920 HD2 HIS 117 HD2 HIS 117 -20.755 19.619 -12.586 921 HE1 HIS 117 HE1 HIS 117 -24.071 18.857 -15.113 922 HE2 HIS 117 HE2 HIS 117 -23.113 20.354 -13.333 923 H HIS 118 H HIS 118 -17.920 16.559 -11.794 924 HA HIS 118 HA HIS 118 -16.288 15.224 -10.982 925 HB2 HIS 118 2HB HIS 118 -17.203 13.461 -12.416 926 HB3 HIS 118 3HB HIS 118 -16.321 14.065 -13.811 927 HD1 HIS 118 HD1 HIS 118 -13.961 13.223 -14.144 928 HD2 HIS 118 HD2 HIS 118 -15.545 12.128 -10.455 929 HE1 HIS 118 HE1 HIS 118 -12.359 11.544 -13.192 930 HE2 HIS 118 HE2 HIS 118 -13.250 11.015 -10.912 931 H HIS 119 H HIS 119 -14.637 16.587 -10.443 932 HA HIS 119 HA HIS 119 -13.023 18.113 -12.130 933 HB2 HIS 119 2HB HIS 119 -11.511 18.425 -10.211 934 HB3 HIS 119 3HB HIS 119 -13.189 18.536 -9.700 935 HD1 HIS 119 HD1 HIS 119 -10.561 17.785 -7.964 936 HD2 HIS 119 HD2 HIS 119 -13.609 15.222 -9.171 937 HE1 HIS 119 HE1 HIS 119 -10.557 15.894 -6.318 938 HE2 HIS 119 HE2 HIS 119 -12.340 14.321 -7.120 939 H HIS 120 H HIS 120 -11.223 17.718 -13.329 940 HA HIS 120 HA HIS 120 -10.665 15.083 -14.176 941 HB2 HIS 120 2HB HIS 120 -9.046 17.615 -14.672 942 HB3 HIS 120 3HB HIS 120 -8.855 16.106 -15.557 943 HD1 HIS 120 HD1 HIS 120 -10.539 19.275 -15.721 944 HD2 HIS 120 HD2 HIS 120 -11.318 15.430 -17.095 945 HE1 HIS 120 HE1 HIS 120 -12.193 19.550 -17.583 946 HE2 HIS 120 HE2 HIS 120 -12.739 17.213 -18.310 947 H HIS 121 H HIS 121 -8.563 17.391 -12.438 948 HA HIS 121 HA HIS 121 -7.264 15.272 -10.923 949 HB2 HIS 121 2HB HIS 121 -4.981 15.787 -11.698 950 HB3 HIS 121 3HB HIS 121 -5.978 15.253 -13.044 951 HD1 HIS 121 HD1 HIS 121 -3.486 17.643 -12.365 952 HD2 HIS 121 HD2 HIS 121 -7.088 17.793 -14.440 953 HE1 HIS 121 HE1 HIS 121 -3.289 19.599 -13.923 954 HE2 HIS 121 HE2 HIS 121 -5.393 19.547 -15.292 955 H HIS 122 H HIS 122 -8.599 18.230 -10.999 956 HA HIS 122 HA HIS 122 -7.513 18.955 -8.430 957 HB2 HIS 122 2HB HIS 122 -5.918 20.104 -9.972 958 HB3 HIS 122 3HB HIS 122 -7.264 20.924 -10.760 959 HD1 HIS 122 HD1 HIS 122 -5.345 20.855 -7.519 960 HD2 HIS 122 HD2 HIS 122 -8.191 23.218 -9.422 961 HE1 HIS 122 HE1 HIS 122 -5.551 22.923 -6.117 962 HE2 HIS 122 HE2 HIS 122 -7.391 24.253 -7.181 Start of MODEL 15 1 H1 MET 1 1H MET 1 20.636 -29.086 0.622 2 H2 MET 1 2H MET 1 20.645 -30.369 1.730 3 H3 MET 1 3H MET 1 20.670 -28.769 2.276 4 HA MET 1 HA MET 1 18.456 -29.923 0.712 5 HB2 MET 1 2HB MET 1 18.701 -31.031 2.948 6 HB3 MET 1 3HB MET 1 18.583 -29.458 3.730 7 HG2 MET 1 2HG MET 1 16.460 -30.728 3.790 8 HG3 MET 1 3HG MET 1 16.294 -29.195 2.919 9 HE1 MET 1 3HE MET 1 14.106 -31.500 2.649 10 HE2 MET 1 1HE MET 1 13.851 -31.545 0.897 11 HE3 MET 1 2HE MET 1 14.015 -30.000 1.726 12 H ILE 2 H ILE 2 17.024 -28.421 0.066 13 HA ILE 2 HA ILE 2 17.501 -25.596 0.825 14 HB ILE 2 HB ILE 2 16.456 -26.781 -1.800 15 HG12 ILE 2 2HG1 ILE 2 18.920 -27.040 -1.463 16 HG13 ILE 2 3HG1 ILE 2 18.543 -25.979 -2.812 17 HG21 ILE 2 1HG2 ILE 2 16.886 -23.853 -1.089 18 HG22 ILE 2 2HG2 ILE 2 15.335 -24.646 -1.366 19 HG23 ILE 2 3HG2 ILE 2 16.479 -24.469 -2.695 20 HD11 ILE 2 3HD1 ILE 2 19.053 -24.028 -1.411 21 HD12 ILE 2 1HD1 ILE 2 20.423 -25.132 -1.522 22 HD13 ILE 2 2HD1 ILE 2 19.437 -25.097 -0.061 23 H GLU 3 H GLU 3 15.771 -24.391 1.522 24 HA GLU 3 HA GLU 3 13.037 -25.532 1.287 25 HB2 GLU 3 2HB GLU 3 12.413 -24.458 3.392 26 HB3 GLU 3 3HB GLU 3 13.775 -25.536 3.663 27 HG2 GLU 3 2HG GLU 3 15.308 -23.670 3.828 28 HG3 GLU 3 3HG GLU 3 14.049 -22.540 3.321 29 HA PRO 4 HA PRO 4 12.192 -21.491 -0.582 30 HB2 PRO 4 2HB PRO 4 9.474 -21.495 -0.610 31 HB3 PRO 4 3HB PRO 4 10.410 -22.572 -1.665 32 HG2 PRO 4 2HG PRO 4 8.959 -23.201 0.866 33 HG3 PRO 4 3HG PRO 4 9.142 -24.179 -0.607 34 HD2 PRO 4 2HD PRO 4 10.650 -24.487 1.735 35 HD3 PRO 4 3HD PRO 4 11.099 -25.119 0.139 36 H ILE 5 H ILE 5 12.566 -19.700 0.550 37 HA ILE 5 HA ILE 5 11.152 -19.129 3.093 38 HB ILE 5 HB ILE 5 13.035 -17.490 3.526 39 HG12 ILE 5 2HG1 ILE 5 14.312 -18.858 1.109 40 HG13 ILE 5 3HG1 ILE 5 13.815 -17.177 1.187 41 HG21 ILE 5 1HG2 ILE 5 13.015 -19.709 4.570 42 HG22 ILE 5 2HG2 ILE 5 14.664 -19.195 4.223 43 HG23 ILE 5 3HG2 ILE 5 13.875 -20.386 3.184 44 HD11 ILE 5 3HD1 ILE 5 15.547 -16.769 2.891 45 HD12 ILE 5 1HD1 ILE 5 16.206 -17.380 1.374 46 HD13 ILE 5 2HD1 ILE 5 16.047 -18.455 2.760 47 H LYS 6 H LYS 6 10.890 -16.690 3.452 48 HA LYS 6 HA LYS 6 10.559 -15.029 1.154 49 HB2 LYS 6 2HB LYS 6 8.198 -14.832 1.006 50 HB3 LYS 6 3HB LYS 6 8.520 -16.553 1.022 51 HG2 LYS 6 2HG LYS 6 7.514 -14.935 3.377 52 HG3 LYS 6 3HG LYS 6 6.511 -15.927 2.326 53 HD2 LYS 6 2HD LYS 6 8.709 -16.928 4.194 54 HD3 LYS 6 3HD LYS 6 6.975 -17.106 4.454 55 HE2 LYS 6 2HE LYS 6 8.636 -18.409 2.268 56 HE3 LYS 6 3HE LYS 6 7.910 -19.213 3.661 57 HZ1 LYS 6 3HZ LYS 6 5.726 -18.643 2.787 58 HZ2 LYS 6 1HZ LYS 6 6.616 -19.560 1.674 59 HZ3 LYS 6 2HZ LYS 6 6.442 -17.893 1.450 60 H ARG 7 H ARG 7 10.516 -12.955 1.655 61 HA ARG 7 HA ARG 7 10.026 -12.079 4.447 62 HB2 ARG 7 2HB ARG 7 12.324 -11.655 3.154 63 HB3 ARG 7 3HB ARG 7 11.426 -10.391 2.328 64 HG2 ARG 7 2HG ARG 7 11.897 -10.530 5.336 65 HG3 ARG 7 3HG ARG 7 12.815 -9.546 4.196 66 HD2 ARG 7 2HD ARG 7 10.579 -8.434 3.594 67 HD3 ARG 7 3HD ARG 7 9.918 -9.234 5.021 68 HE ARG 7 HE ARG 7 12.175 -7.904 5.886 69 HH11 ARG 7 1HH1 ARG 7 9.145 -6.965 4.375 70 HH12 ARG 7 2HH1 ARG 7 9.137 -5.390 5.093 71 HH21 ARG 7 1HH2 ARG 7 12.167 -5.833 6.798 72 HH22 ARG 7 2HH2 ARG 7 10.854 -4.747 6.470 73 H THR 8 H THR 8 8.384 -10.537 4.734 74 HA THR 8 HA THR 8 6.607 -10.070 2.403 75 HB THR 8 HB THR 8 5.880 -10.549 5.338 76 HG1 THR 8 HG1 THR 8 6.592 -12.367 3.971 77 HG21 THR 8 3HG2 THR 8 3.536 -10.593 4.553 78 HG22 THR 8 1HG2 THR 8 4.068 -10.145 2.926 79 HG23 THR 8 2HG2 THR 8 4.270 -9.015 4.267 80 H GLN 9 H GLN 9 6.942 -8.001 1.833 81 HA GLN 9 HA GLN 9 7.123 -5.874 3.866 82 HB2 GLN 9 2HB GLN 9 8.848 -5.989 2.053 83 HB3 GLN 9 3HB GLN 9 7.582 -5.748 0.861 84 HG2 GLN 9 2HG GLN 9 8.778 -3.686 1.196 85 HG3 GLN 9 3HG GLN 9 7.132 -3.504 1.794 86 HE21 GLN 9 1HE2 GLN 9 9.987 -2.411 2.461 87 HE22 GLN 9 2HE2 GLN 9 9.989 -2.382 4.175 88 H VAL 10 H VAL 10 5.176 -5.037 4.431 89 HA VAL 10 HA VAL 10 2.998 -4.997 2.484 90 HB VAL 10 HB VAL 10 1.447 -4.584 4.301 91 HG11 VAL 10 1HG1 VAL 10 1.681 -6.717 5.540 92 HG12 VAL 10 2HG1 VAL 10 3.342 -6.870 4.962 93 HG13 VAL 10 3HG1 VAL 10 2.003 -6.916 3.815 94 HG21 VAL 10 3HG2 VAL 10 2.135 -4.505 6.678 95 HG22 VAL 10 1HG2 VAL 10 2.813 -3.155 5.768 96 HG23 VAL 10 2HG2 VAL 10 3.833 -4.531 6.196 97 H VAL 11 H VAL 11 1.930 -3.140 1.875 98 HA VAL 11 HA VAL 11 3.152 -0.514 2.518 99 HB VAL 11 HB VAL 11 1.348 -1.403 0.207 100 HG11 VAL 11 1HG1 VAL 11 0.740 0.875 0.779 101 HG12 VAL 11 2HG1 VAL 11 1.650 0.887 -0.729 102 HG13 VAL 11 3HG1 VAL 11 2.431 1.384 0.781 103 HG21 VAL 11 3HG2 VAL 11 4.252 -0.497 0.186 104 HG22 VAL 11 1HG2 VAL 11 3.288 -0.943 -1.228 105 HG23 VAL 11 2HG2 VAL 11 3.671 -2.153 -0.005 106 H THR 12 H THR 12 2.087 0.322 4.260 107 HA THR 12 HA THR 12 -0.746 -0.399 4.674 108 HB THR 12 HB THR 12 1.258 0.719 6.687 109 HG1 THR 12 HG1 THR 12 1.873 -1.343 5.902 110 HG21 THR 12 3HG2 THR 12 -1.431 -0.646 7.076 111 HG22 THR 12 1HG2 THR 12 -1.076 1.058 7.374 112 HG23 THR 12 2HG2 THR 12 -0.315 -0.186 8.367 113 H GLN 13 H GLN 13 -1.937 1.080 3.648 114 HA GLN 13 HA GLN 13 -1.351 3.942 3.839 115 HB2 GLN 13 2HB GLN 13 -3.510 2.496 2.265 116 HB3 GLN 13 3HB GLN 13 -3.138 4.216 2.161 117 HG2 GLN 13 2HG GLN 13 -1.322 1.926 1.373 118 HG3 GLN 13 3HG GLN 13 -2.203 2.989 0.277 119 HE21 GLN 13 1HE2 GLN 13 -1.460 5.117 -0.011 120 HE22 GLN 13 2HE2 GLN 13 0.127 5.601 0.463 121 H THR 14 H THR 14 -2.098 4.959 5.560 122 HA THR 14 HA THR 14 -4.522 4.055 6.964 123 HB THR 14 HB THR 14 -2.468 6.209 7.645 124 HG1 THR 14 HG1 THR 14 -1.947 3.783 7.644 125 HG21 THR 14 3HG2 THR 14 -3.400 6.151 9.917 126 HG22 THR 14 1HG2 THR 14 -4.637 4.999 9.399 127 HG23 THR 14 2HG2 THR 14 -4.630 6.642 8.759 128 H ILE 15 H ILE 15 -6.344 4.779 5.941 129 HA ILE 15 HA ILE 15 -6.426 7.425 4.692 130 HB ILE 15 HB ILE 15 -8.307 5.042 4.488 131 HG12 ILE 15 2HG1 ILE 15 -7.885 5.387 2.010 132 HG13 ILE 15 3HG1 ILE 15 -6.715 6.633 2.427 133 HG21 ILE 15 1HG2 ILE 15 -8.892 7.835 3.434 134 HG22 ILE 15 2HG2 ILE 15 -9.788 6.977 4.689 135 HG23 ILE 15 3HG2 ILE 15 -9.811 6.381 3.031 136 HD11 ILE 15 3HD1 ILE 15 -5.664 4.530 1.846 137 HD12 ILE 15 1HD1 ILE 15 -6.524 3.710 3.150 138 HD13 ILE 15 2HD1 ILE 15 -5.326 4.956 3.522 139 H HIS 16 H HIS 16 -7.390 9.067 5.479 140 HA HIS 16 HA HIS 16 -9.500 8.804 7.506 141 HB2 HIS 16 2HB HIS 16 -8.484 10.991 8.542 142 HB3 HIS 16 3HB HIS 16 -7.828 9.428 8.983 143 HD1 HIS 16 HD1 HIS 16 -6.799 12.697 7.947 144 HD2 HIS 16 HD2 HIS 16 -5.287 8.848 7.526 145 HE1 HIS 16 HE1 HIS 16 -4.359 12.975 7.464 146 HE2 HIS 16 HE2 HIS 16 -3.444 10.647 7.525 147 H TYR 17 H TYR 17 -11.210 9.663 6.793 148 HA TYR 17 HA TYR 17 -11.370 11.314 4.437 149 HB2 TYR 17 2HB TYR 17 -13.568 10.405 6.366 150 HB3 TYR 17 3HB TYR 17 -13.809 11.053 4.747 151 HD1 TYR 17 HD1 TYR 17 -12.696 8.084 6.695 152 HD2 TYR 17 HD2 TYR 17 -13.495 9.600 2.777 153 HE1 TYR 17 HE1 TYR 17 -12.537 5.819 5.767 154 HE2 TYR 17 HE2 TYR 17 -13.332 7.331 1.873 155 HH TYR 17 HH TYR 17 -12.409 5.234 2.374 156 H ARG 18 H ARG 18 -11.560 13.469 4.458 157 HA ARG 18 HA ARG 18 -12.582 14.930 6.771 158 HB2 ARG 18 2HB ARG 18 -9.959 15.660 5.400 159 HB3 ARG 18 3HB ARG 18 -10.825 16.692 6.536 160 HG2 ARG 18 2HG ARG 18 -10.537 14.655 8.174 161 HG3 ARG 18 3HG ARG 18 -9.256 14.180 7.056 162 HD2 ARG 18 2HD ARG 18 -9.469 16.832 8.510 163 HD3 ARG 18 3HD ARG 18 -8.381 15.510 8.931 164 HE ARG 18 HE ARG 18 -7.642 16.005 6.409 165 HH11 ARG 18 1HH1 ARG 18 -8.160 18.252 9.074 166 HH12 ARG 18 2HH1 ARG 18 -6.970 19.379 8.503 167 HH21 ARG 18 1HH2 ARG 18 -6.041 17.457 5.721 168 HH22 ARG 18 2HH2 ARG 18 -5.772 18.927 6.607 169 H TYR 19 H TYR 19 -13.240 17.117 6.188 170 HA TYR 19 HA TYR 19 -14.134 17.406 3.426 171 HB2 TYR 19 2HB TYR 19 -14.583 19.174 5.873 172 HB3 TYR 19 3HB TYR 19 -15.363 19.368 4.303 173 HD1 TYR 19 HD2 TYR 19 -17.108 17.725 3.562 174 HD2 TYR 19 HD1 TYR 19 -15.328 17.464 7.434 175 HE1 TYR 19 HE2 TYR 19 -18.928 16.253 4.304 176 HE2 TYR 19 HE1 TYR 19 -17.129 15.985 8.177 177 HH TYR 19 HH TYR 19 -19.493 15.486 7.552 178 H GLU 20 H GLU 20 -13.921 19.733 2.592 179 HA GLU 20 HA GLU 20 -11.234 20.456 2.211 180 HB2 GLU 20 2HB GLU 20 -12.168 22.483 1.104 181 HB3 GLU 20 3HB GLU 20 -12.912 20.976 0.564 182 HG2 GLU 20 2HG GLU 20 -14.966 21.445 1.567 183 HG3 GLU 20 3HG GLU 20 -14.248 22.498 2.786 184 H ASP 21 H ASP 21 -13.524 21.398 4.656 185 HA ASP 21 HA ASP 21 -12.239 23.773 5.626 186 HB2 ASP 21 2HB ASP 21 -14.122 21.853 7.075 187 HB3 ASP 21 3HB ASP 21 -13.740 23.503 7.572 188 H GLY 22 H GLY 22 -11.537 20.405 5.943 189 HA2 GLY 22 2HA GLY 22 -9.638 19.456 7.000 190 HA3 GLY 22 3HA GLY 22 -9.542 20.861 8.053 191 H ALA 23 H ALA 23 -12.733 19.961 7.937 192 HA ALA 23 HA ALA 23 -12.822 18.846 10.582 193 HB1 ALA 23 3HB ALA 23 -14.645 20.266 9.723 194 HB2 ALA 23 1HB ALA 23 -15.261 18.675 10.173 195 HB3 ALA 23 2HB ALA 23 -15.007 19.077 8.470 196 H VAL 24 H VAL 24 -12.945 16.640 11.169 197 HA VAL 24 HA VAL 24 -12.059 14.814 9.073 198 HB VAL 24 HB VAL 24 -12.389 14.218 12.053 199 HG11 VAL 24 1HG1 VAL 24 -10.790 12.764 9.905 200 HG12 VAL 24 2HG1 VAL 24 -12.274 12.193 10.672 201 HG13 VAL 24 3HG1 VAL 24 -10.803 12.362 11.626 202 HG21 VAL 24 3HG2 VAL 24 -9.966 14.666 12.290 203 HG22 VAL 24 1HG2 VAL 24 -10.826 16.107 11.740 204 HG23 VAL 24 2HG2 VAL 24 -9.877 15.156 10.596 205 H ALA 25 H ALA 25 -13.691 14.080 7.833 206 HA ALA 25 HA ALA 25 -16.357 13.571 8.570 207 HB1 ALA 25 3HB ALA 25 -14.792 12.375 6.264 208 HB2 ALA 25 1HB ALA 25 -15.661 13.909 6.234 209 HB3 ALA 25 2HB ALA 25 -16.550 12.393 6.406 210 H HIS 26 H HIS 26 -13.521 11.442 8.438 211 HA HIS 26 HA HIS 26 -14.415 9.801 10.579 212 HB2 HIS 26 2HB HIS 26 -15.720 8.910 8.450 213 HB3 HIS 26 3HB HIS 26 -14.176 8.207 7.999 214 HD1 HIS 26 HD1 HIS 26 -16.169 6.161 8.317 215 HD2 HIS 26 HD2 HIS 26 -14.237 7.672 11.669 216 HE1 HIS 26 HE1 HIS 26 -16.494 4.437 10.118 217 HE2 HIS 26 HE2 HIS 26 -15.113 5.274 12.046 218 H ASP 27 H ASP 27 -12.682 8.531 11.396 219 HA ASP 27 HA ASP 27 -10.110 8.557 9.928 220 HB2 ASP 27 2HB ASP 27 -10.020 10.490 11.430 221 HB3 ASP 27 3HB ASP 27 -10.578 9.526 12.788 222 H ASP 28 H ASP 28 -9.670 6.416 9.706 223 HA ASP 28 HA ASP 28 -9.034 4.672 11.769 224 HB2 ASP 28 2HB ASP 28 -10.876 3.095 11.933 225 HB3 ASP 28 3HB ASP 28 -11.491 4.699 12.300 226 H HIS 29 H HIS 29 -9.798 5.211 8.406 227 HA HIS 29 HA HIS 29 -10.226 2.425 7.767 228 HB2 HIS 29 2HB HIS 29 -11.387 4.548 6.755 229 HB3 HIS 29 3HB HIS 29 -9.992 4.625 5.694 230 HD1 HIS 29 HD1 HIS 29 -13.245 3.725 5.355 231 HD2 HIS 29 HD2 HIS 29 -9.779 1.536 4.702 232 HE1 HIS 29 HE1 HIS 29 -13.898 1.898 3.778 233 HE2 HIS 29 HE2 HIS 29 -11.857 0.454 3.601 234 H VAL 30 H VAL 30 -8.103 1.582 8.340 235 HA VAL 30 HA VAL 30 -5.850 2.306 6.605 236 HB VAL 30 HB VAL 30 -5.918 0.321 8.944 237 HG11 VAL 30 1HG1 VAL 30 -3.448 0.503 8.870 238 HG12 VAL 30 2HG1 VAL 30 -3.560 1.536 7.441 239 HG13 VAL 30 3HG1 VAL 30 -4.101 -0.143 7.364 240 HG21 VAL 30 3HG2 VAL 30 -6.408 2.614 9.717 241 HG22 VAL 30 1HG2 VAL 30 -4.961 3.222 8.915 242 HG23 VAL 30 2HG2 VAL 30 -4.818 2.102 10.274 243 H VAL 31 H VAL 31 -5.395 1.184 4.865 244 HA VAL 31 HA VAL 31 -6.126 -1.662 4.584 245 HB VAL 31 HB VAL 31 -7.233 -0.035 2.967 246 HG11 VAL 31 1HG1 VAL 31 -5.927 0.914 1.108 247 HG12 VAL 31 2HG1 VAL 31 -4.432 0.339 1.853 248 HG13 VAL 31 3HG1 VAL 31 -5.413 1.560 2.668 249 HG21 VAL 31 3HG2 VAL 31 -6.881 -1.412 0.944 250 HG22 VAL 31 1HG2 VAL 31 -7.076 -2.403 2.393 251 HG23 VAL 31 2HG2 VAL 31 -5.471 -2.161 1.699 252 H SER 32 H SER 32 -4.384 -2.784 3.088 253 HA SER 32 HA SER 32 -1.677 -1.880 3.415 254 HB2 SER 32 2HB SER 32 -1.021 -3.826 4.888 255 HB3 SER 32 3HB SER 32 -2.035 -2.630 5.694 256 HG SER 32 HG SER 32 -3.680 -4.366 4.600 257 H LEU 33 H LEU 33 -0.253 -3.064 2.111 258 HA LEU 33 HA LEU 33 -1.535 -5.064 0.332 259 HB2 LEU 33 2HB LEU 33 -0.973 -2.599 -0.478 260 HB3 LEU 33 3HB LEU 33 0.641 -3.267 -0.641 261 HG LEU 33 HG LEU 33 -0.135 -4.943 -2.226 262 HD11 LEU 33 1HD1 LEU 33 -2.462 -5.003 -3.004 263 HD12 LEU 33 2HD1 LEU 33 -2.901 -3.791 -1.795 264 HD13 LEU 33 3HD1 LEU 33 -2.335 -5.385 -1.290 265 HD21 LEU 33 3HD2 LEU 33 -1.153 -2.175 -2.906 266 HD22 LEU 33 1HD2 LEU 33 -0.863 -3.474 -4.068 267 HD23 LEU 33 2HD2 LEU 33 0.481 -2.789 -3.160 268 H ILE 34 H ILE 34 -0.474 -6.925 0.126 269 HA ILE 34 HA ILE 34 1.980 -7.324 1.684 270 HB ILE 34 HB ILE 34 -0.138 -9.277 0.666 271 HG12 ILE 34 2HG1 ILE 34 -0.300 -9.830 3.169 272 HG13 ILE 34 3HG1 ILE 34 0.743 -8.453 3.485 273 HG21 ILE 34 1HG2 ILE 34 2.007 -10.409 0.372 274 HG22 ILE 34 2HG2 ILE 34 1.136 -11.129 1.720 275 HG23 ILE 34 3HG2 ILE 34 2.482 -10.032 2.030 276 HD11 ILE 34 3HD1 ILE 34 -1.573 -7.914 3.909 277 HD12 ILE 34 1HD1 ILE 34 -2.025 -8.374 2.269 278 HD13 ILE 34 2HD1 ILE 34 -0.993 -6.966 2.540 279 H PHE 35 H PHE 35 3.862 -7.319 0.605 280 HA PHE 35 HA PHE 35 4.057 -8.504 -2.114 281 HB2 PHE 35 2HB PHE 35 5.853 -6.447 -0.751 282 HB3 PHE 35 3HB PHE 35 6.165 -7.164 -2.333 283 HD1 PHE 35 HD2 PHE 35 3.893 -4.935 -0.429 284 HD2 PHE 35 HD1 PHE 35 4.984 -6.402 -4.289 285 HE1 PHE 35 HE2 PHE 35 2.522 -3.200 -1.482 286 HE2 PHE 35 HE1 PHE 35 3.604 -4.662 -5.331 287 HZ PHE 35 HZ PHE 35 2.382 -3.050 -3.924 288 H THR 36 H THR 36 4.762 -10.501 -1.992 289 HA THR 36 HA THR 36 6.478 -11.351 0.255 290 HB THR 36 HB THR 36 4.820 -13.104 -1.624 291 HG1 THR 36 HG1 THR 36 3.641 -11.509 -0.263 292 HG21 THR 36 3HG2 THR 36 5.011 -14.755 0.208 293 HG22 THR 36 1HG2 THR 36 6.035 -13.633 1.112 294 HG23 THR 36 2HG2 THR 36 6.595 -14.307 -0.419 295 H GLN 37 H GLN 37 8.513 -10.946 -0.441 296 HA GLN 37 HA GLN 37 9.516 -11.831 -3.025 297 HB2 GLN 37 2HB GLN 37 10.388 -9.759 -1.968 298 HB3 GLN 37 3HB GLN 37 10.950 -10.694 -0.585 299 HG2 GLN 37 2HG GLN 37 12.473 -11.950 -2.136 300 HG3 GLN 37 3HG GLN 37 11.971 -10.868 -3.434 301 HE21 GLN 37 1HE2 GLN 37 12.649 -8.693 -3.369 302 HE22 GLN 37 2HE2 GLN 37 13.948 -8.165 -2.365 303 H SER 38 H SER 38 9.411 -14.048 -3.120 304 HA SER 38 HA SER 38 10.337 -15.661 -0.866 305 HB2 SER 38 2HB SER 38 8.326 -16.377 -2.065 306 HB3 SER 38 3HB SER 38 9.218 -16.476 -3.581 307 HG SER 38 HG SER 38 10.333 -17.932 -1.516 308 H GLY 39 H GLY 39 12.258 -16.507 -0.746 309 HA2 GLY 39 2HA GLY 39 14.017 -16.815 -3.120 310 HA3 GLY 39 3HA GLY 39 14.610 -16.335 -1.528 311 H LYS 40 H LYS 40 16.024 -18.209 -1.648 312 HA LYS 40 HA LYS 40 14.708 -20.594 -0.545 313 HB2 LYS 40 2HB LYS 40 15.927 -22.151 -1.952 314 HB3 LYS 40 3HB LYS 40 15.004 -21.068 -2.963 315 HG2 LYS 40 2HG LYS 40 16.948 -21.154 -4.168 316 HG3 LYS 40 3HG LYS 40 17.312 -19.766 -3.146 317 HD2 LYS 40 2HD LYS 40 18.653 -21.200 -1.656 318 HD3 LYS 40 3HD LYS 40 18.211 -22.624 -2.603 319 HE2 LYS 40 2HE LYS 40 19.392 -21.684 -4.563 320 HE3 LYS 40 3HE LYS 40 19.824 -20.258 -3.616 321 HZ1 LYS 40 3HZ LYS 40 21.035 -21.743 -2.089 322 HZ2 LYS 40 1HZ LYS 40 21.662 -21.770 -3.664 323 HZ3 LYS 40 2HZ LYS 40 20.707 -23.050 -3.112 324 H ARG 41 H ARG 41 15.966 -21.740 0.954 325 HA ARG 41 HA ARG 41 18.426 -20.329 1.856 326 HB2 ARG 41 2HB ARG 41 16.416 -20.176 3.382 327 HB3 ARG 41 3HB ARG 41 16.451 -21.926 3.542 328 HG2 ARG 41 2HG ARG 41 18.835 -21.647 4.454 329 HG3 ARG 41 3HG ARG 41 18.487 -19.918 4.554 330 HD2 ARG 41 2HD ARG 41 17.168 -22.197 6.061 331 HD3 ARG 41 3HD ARG 41 18.054 -20.824 6.726 332 HE ARG 41 HE ARG 41 15.349 -20.720 5.524 333 HH11 ARG 41 2HH1 ARG 41 17.711 -19.347 7.749 334 HH12 ARG 41 1HH1 ARG 41 16.594 -18.176 8.376 335 HH21 ARG 41 2HH2 ARG 41 13.918 -19.207 6.379 336 HH22 ARG 41 1HH2 ARG 41 14.447 -18.099 7.599 337 H ASP 42 H ASP 42 20.250 -21.517 1.731 338 HA ASP 42 HA ASP 42 20.314 -24.397 1.566 339 HB2 ASP 42 2HB ASP 42 22.430 -22.263 1.992 340 HB3 ASP 42 3HB ASP 42 22.837 -23.954 2.193 341 H LEU 43 H LEU 43 19.722 -25.591 3.269 342 HA LEU 43 HA LEU 43 19.797 -24.677 6.009 343 HB2 LEU 43 2HB LEU 43 19.168 -27.415 4.839 344 HB3 LEU 43 3HB LEU 43 18.953 -26.978 6.529 345 HG LEU 43 HG LEU 43 17.442 -25.772 4.172 346 HD11 LEU 43 1HD1 LEU 43 16.474 -27.617 6.386 347 HD12 LEU 43 2HD1 LEU 43 16.713 -28.060 4.695 348 HD13 LEU 43 3HD1 LEU 43 15.468 -26.893 5.126 349 HD21 LEU 43 3HD2 LEU 43 17.792 -24.072 5.890 350 HD22 LEU 43 1HD2 LEU 43 17.205 -25.170 7.143 351 HD23 LEU 43 2HD2 LEU 43 16.107 -24.580 5.894 352 H THR 44 H THR 44 22.119 -25.963 3.970 353 HA THR 44 HA THR 44 23.683 -27.425 5.894 354 HB THR 44 HB THR 44 23.900 -28.124 3.608 355 HG1 THR 44 HG1 THR 44 25.921 -27.737 5.046 356 HG21 THR 44 3HG2 THR 44 23.286 -26.036 2.456 357 HG22 THR 44 1HG2 THR 44 24.780 -26.711 1.796 358 HG23 THR 44 2HG2 THR 44 24.845 -25.331 2.894 359 H ASN 45 H ASN 45 23.865 -24.200 4.420 360 HA ASN 45 HA ASN 45 26.032 -23.386 6.259 361 HB2 ASN 45 2HB ASN 45 24.888 -21.939 3.831 362 HB3 ASN 45 3HB ASN 45 26.274 -21.407 4.778 363 HD21 ASN 45 1HD2 ASN 45 26.144 -22.016 1.954 364 HD22 ASN 45 2HD2 ASN 45 27.283 -23.260 1.656 365 H GLY 46 H GLY 46 22.634 -23.023 5.876 366 HA2 GLY 46 2HA GLY 46 21.051 -21.753 6.982 367 HA3 GLY 46 3HA GLY 46 22.332 -21.160 8.034 368 H LYS 47 H LYS 47 22.535 -20.857 4.555 369 HA LYS 47 HA LYS 47 22.589 -17.917 4.791 370 HB2 LYS 47 2HB LYS 47 23.768 -17.946 2.627 371 HB3 LYS 47 3HB LYS 47 24.561 -19.034 3.761 372 HG2 LYS 47 2HG LYS 47 23.542 -20.965 2.693 373 HG3 LYS 47 3HG LYS 47 22.660 -19.920 1.581 374 HD2 LYS 47 2HD LYS 47 25.679 -20.216 1.740 375 HD3 LYS 47 3HD LYS 47 24.636 -20.942 0.517 376 HE2 LYS 47 2HE LYS 47 24.038 -18.725 -0.324 377 HE3 LYS 47 3HE LYS 47 24.993 -17.958 0.949 378 HZ1 LYS 47 3HZ LYS 47 26.977 -18.991 0.025 379 HZ2 LYS 47 1HZ LYS 47 26.199 -18.027 -1.132 380 HZ3 LYS 47 2HZ LYS 47 26.053 -19.713 -1.197 381 H GLU 48 H GLU 48 21.153 -16.615 3.688 382 HA GLU 48 HA GLU 48 18.809 -17.925 2.425 383 HB2 GLU 48 2HB GLU 48 19.132 -15.227 3.789 384 HB3 GLU 48 3HB GLU 48 17.645 -15.773 3.018 385 HG2 GLU 48 2HG GLU 48 17.422 -17.580 4.636 386 HG3 GLU 48 3HG GLU 48 18.981 -17.182 5.340 387 H ILE 49 H ILE 49 18.682 -17.763 0.321 388 HA ILE 49 HA ILE 49 20.288 -15.815 -1.199 389 HB ILE 49 HB ILE 49 19.087 -18.504 -2.053 390 HG12 ILE 49 2HG1 ILE 49 21.607 -19.068 -2.454 391 HG13 ILE 49 3HG1 ILE 49 21.963 -17.668 -1.447 392 HG21 ILE 49 1HG2 ILE 49 20.709 -16.570 -3.738 393 HG22 ILE 49 2HG2 ILE 49 19.007 -16.987 -3.938 394 HG23 ILE 49 3HG2 ILE 49 20.246 -18.209 -4.213 395 HD11 ILE 49 3HD1 ILE 49 20.774 -18.715 0.413 396 HD12 ILE 49 1HD1 ILE 49 22.066 -19.745 -0.197 397 HD13 ILE 49 2HD1 ILE 49 20.389 -20.104 -0.608 398 H TRP 50 H TRP 50 18.990 -14.052 -1.405 399 HA TRP 50 HA TRP 50 16.215 -14.308 -2.389 400 HB2 TRP 50 2HB TRP 50 17.669 -11.807 -1.414 401 HB3 TRP 50 3HB TRP 50 15.935 -12.005 -1.659 402 HD1 TRP 50 HD1 TRP 50 18.644 -12.449 0.942 403 HE1 TRP 50 HE1 TRP 50 17.599 -13.294 3.130 404 HE3 TRP 50 HE3 TRP 50 13.973 -13.644 -0.772 405 HZ2 TRP 50 HZ2 TRP 50 15.143 -14.310 4.033 406 HZ3 TRP 50 HZ3 TRP 50 12.337 -14.537 0.828 407 HH2 TRP 50 HH2 TRP 50 12.907 -14.869 3.179 408 H ASP 51 H ASP 51 15.603 -13.016 -4.246 409 HA ASP 51 HA ASP 51 17.793 -12.635 -6.195 410 HB2 ASP 51 2HB ASP 51 16.075 -14.214 -6.885 411 HB3 ASP 51 3HB ASP 51 14.798 -13.048 -6.564 412 H SER 52 H SER 52 18.417 -10.616 -6.626 413 HA SER 52 HA SER 52 17.040 -8.310 -5.618 414 HB2 SER 52 2HB SER 52 19.498 -8.447 -5.667 415 HB3 SER 52 3HB SER 52 19.473 -8.499 -7.428 416 HG SER 52 HG SER 52 19.407 -6.417 -7.394 417 H LYS 53 H LYS 53 16.850 -10.056 -8.551 418 HA LYS 53 HA LYS 53 15.836 -7.860 -10.180 419 HB2 LYS 53 2HB LYS 53 15.925 -10.856 -10.761 420 HB3 LYS 53 3HB LYS 53 15.570 -9.582 -11.928 421 HG2 LYS 53 2HG LYS 53 17.853 -8.693 -11.670 422 HG3 LYS 53 3HG LYS 53 18.205 -9.932 -10.463 423 HD2 LYS 53 2HD LYS 53 17.850 -11.688 -12.209 424 HD3 LYS 53 3HD LYS 53 17.587 -10.414 -13.407 425 HE2 LYS 53 2HE LYS 53 19.882 -11.250 -13.544 426 HE3 LYS 53 3HE LYS 53 19.887 -9.574 -12.995 427 HZ1 LYS 53 3HZ LYS 53 20.223 -10.339 -10.739 428 HZ2 LYS 53 1HZ LYS 53 21.432 -10.969 -11.746 429 HZ3 LYS 53 2HZ LYS 53 20.152 -11.954 -11.236 430 H TRP 54 H TRP 54 14.525 -9.777 -7.727 431 HA TRP 54 HA TRP 54 11.899 -10.259 -8.601 432 HB2 TRP 54 2HB TRP 54 12.717 -11.206 -6.494 433 HB3 TRP 54 3HB TRP 54 12.914 -9.606 -5.799 434 HD1 TRP 54 HD1 TRP 54 10.205 -12.198 -6.617 435 HE1 TRP 54 HE1 TRP 54 8.031 -11.553 -5.420 436 HE3 TRP 54 HE3 TRP 54 11.555 -7.583 -4.839 437 HZ2 TRP 54 HZ2 TRP 54 7.007 -9.416 -3.926 438 HZ3 TRP 54 HZ3 TRP 54 9.906 -6.311 -3.537 439 HH2 TRP 54 HH2 TRP 54 7.680 -7.204 -3.090 440 H SER 55 H SER 55 10.309 -8.924 -9.099 441 HA SER 55 HA SER 55 9.826 -6.438 -7.731 442 HB2 SER 55 2HB SER 55 9.648 -5.185 -9.955 443 HB3 SER 55 3HB SER 55 11.282 -5.552 -9.431 444 HG SER 55 HG SER 55 11.111 -7.460 -10.832 445 H LEU 56 H LEU 56 7.708 -6.572 -7.280 446 HA LEU 56 HA LEU 56 5.890 -8.043 -9.082 447 HB2 LEU 56 2HB LEU 56 6.695 -9.638 -7.375 448 HB3 LEU 56 3HB LEU 56 6.227 -8.534 -6.095 449 HG LEU 56 HG LEU 56 3.836 -8.840 -6.720 450 HD11 LEU 56 1HD1 LEU 56 3.151 -10.642 -8.258 451 HD12 LEU 56 2HD1 LEU 56 4.838 -10.918 -8.699 452 HD13 LEU 56 3HD1 LEU 56 4.059 -9.385 -9.096 453 HD21 LEU 56 3HD2 LEU 56 3.600 -11.126 -5.811 454 HD22 LEU 56 1HD2 LEU 56 4.811 -10.199 -4.928 455 HD23 LEU 56 2HD2 LEU 56 5.316 -11.427 -6.094 456 H THR 57 H THR 57 4.034 -6.949 -9.378 457 HA THR 57 HA THR 57 3.372 -4.707 -7.589 458 HB THR 57 HB THR 57 3.541 -4.336 -10.116 459 HG1 THR 57 HG1 THR 57 2.512 -2.731 -9.159 460 HG21 THR 57 3HG2 THR 57 0.854 -5.748 -10.159 461 HG22 THR 57 1HG2 THR 57 2.329 -6.334 -10.931 462 HG23 THR 57 2HG2 THR 57 1.568 -4.844 -11.495 463 H GLN 58 H GLN 58 1.437 -4.605 -6.518 464 HA GLN 58 HA GLN 58 -0.444 -6.870 -6.711 465 HB2 GLN 58 2HB GLN 58 0.897 -5.740 -4.295 466 HB3 GLN 58 3HB GLN 58 -0.837 -5.920 -4.118 467 HG2 GLN 58 2HG GLN 58 0.232 -7.860 -3.216 468 HG3 GLN 58 3HG GLN 58 -0.632 -8.328 -4.679 469 HE21 GLN 58 1HE2 GLN 58 2.530 -7.792 -3.271 470 HE22 GLN 58 2HE2 GLN 58 3.431 -8.636 -4.477 471 H THR 59 H THR 59 -2.551 -6.354 -6.596 472 HA THR 59 HA THR 59 -3.436 -3.879 -7.645 473 HB THR 59 HB THR 59 -5.161 -6.078 -6.414 474 HG1 THR 59 HG1 THR 59 -3.723 -6.052 -8.862 475 HG21 THR 59 3HG2 THR 59 -6.324 -4.033 -7.266 476 HG22 THR 59 1HG2 THR 59 -6.772 -5.497 -8.138 477 HG23 THR 59 2HG2 THR 59 -5.647 -4.348 -8.865 478 H PHE 60 H PHE 60 -3.758 -2.040 -6.408 479 HA PHE 60 HA PHE 60 -4.752 -2.336 -3.620 480 HB2 PHE 60 2HB PHE 60 -2.506 -0.860 -4.486 481 HB3 PHE 60 3HB PHE 60 -3.736 0.369 -4.261 482 HD1 PHE 60 HD1 PHE 60 -4.704 -1.955 -1.896 483 HD2 PHE 60 HD2 PHE 60 -1.477 0.732 -2.680 484 HE1 PHE 60 HE1 PHE 60 -4.103 -1.965 0.489 485 HE2 PHE 60 HE2 PHE 60 -0.894 0.716 -0.308 486 HZ PHE 60 HZ PHE 60 -2.178 -0.638 1.279 487 H GLU 61 H GLU 61 -6.834 -1.892 -3.458 488 HA GLU 61 HA GLU 61 -8.219 0.280 -4.660 489 HB2 GLU 61 2HB GLU 61 -9.799 -1.300 -6.048 490 HB3 GLU 61 3HB GLU 61 -8.267 -0.816 -6.744 491 HG2 GLU 61 2HG GLU 61 -8.658 -3.150 -7.215 492 HG3 GLU 61 3HG GLU 61 -7.278 -2.978 -6.146 493 H ALA 62 H ALA 62 -10.818 -1.016 -4.666 494 HA ALA 62 HA ALA 62 -12.535 -1.704 -3.389 495 HB1 ALA 62 3HB ALA 62 -11.251 -3.814 -3.128 496 HB2 ALA 62 1HB ALA 62 -12.187 -3.446 -1.675 497 HB3 ALA 62 2HB ALA 62 -10.448 -3.147 -1.707 498 H LEU 63 H LEU 63 -10.719 0.700 -2.634 499 HA LEU 63 HA LEU 63 -11.441 1.102 0.181 500 HB2 LEU 63 2HB LEU 63 -9.038 1.486 -0.984 501 HB3 LEU 63 3HB LEU 63 -9.724 3.042 -1.399 502 HG LEU 63 HG LEU 63 -8.407 3.332 0.594 503 HD11 LEU 63 1HD1 LEU 63 -10.522 4.595 0.639 504 HD12 LEU 63 2HD1 LEU 63 -9.965 4.179 2.257 505 HD13 LEU 63 3HD1 LEU 63 -11.293 3.274 1.526 506 HD21 LEU 63 3HD2 LEU 63 -8.279 0.979 1.273 507 HD22 LEU 63 1HD2 LEU 63 -9.937 1.055 1.877 508 HD23 LEU 63 2HD2 LEU 63 -8.673 2.023 2.637 509 HA PRO 64 HA PRO 64 -14.663 3.560 -1.965 510 HB2 PRO 64 2HB PRO 64 -16.694 3.167 -0.210 511 HB3 PRO 64 3HB PRO 64 -16.146 1.866 -1.287 512 HG2 PRO 64 2HG PRO 64 -15.646 2.244 1.620 513 HG3 PRO 64 3HG PRO 64 -15.867 0.746 0.692 514 HD2 PRO 64 2HD PRO 64 -13.386 1.862 1.480 515 HD3 PRO 64 3HD PRO 64 -13.625 0.554 0.311 516 H SER 65 H SER 65 -16.316 5.248 -0.946 517 HA SER 65 HA SER 65 -15.248 6.763 1.321 518 HB2 SER 65 2HB SER 65 -15.267 8.900 0.057 519 HB3 SER 65 3HB SER 65 -14.159 7.764 -0.713 520 HG SER 65 HG SER 65 -15.947 7.250 -2.153 521 HA PRO 66 HA PRO 66 -19.774 6.883 2.080 522 HB2 PRO 66 2HB PRO 66 -19.627 9.146 3.800 523 HB3 PRO 66 3HB PRO 66 -19.520 7.449 4.309 524 HG2 PRO 66 2HG PRO 66 -17.319 9.403 3.777 525 HG3 PRO 66 3HG PRO 66 -17.456 8.165 5.049 526 HD2 PRO 66 2HD PRO 66 -15.894 7.736 2.937 527 HD3 PRO 66 3HD PRO 66 -16.885 6.412 3.599 528 H VAL 67 H VAL 67 -21.047 7.684 0.494 529 HA VAL 67 HA VAL 67 -20.458 10.018 -1.049 530 HB VAL 67 HB VAL 67 -23.042 8.381 -0.853 531 HG11 VAL 67 1HG1 VAL 67 -23.503 10.609 -1.765 532 HG12 VAL 67 2HG1 VAL 67 -23.661 9.392 -3.031 533 HG13 VAL 67 3HG1 VAL 67 -22.221 10.412 -2.963 534 HG21 VAL 67 3HG2 VAL 67 -20.767 8.192 -2.881 535 HG22 VAL 67 1HG2 VAL 67 -22.266 7.257 -2.930 536 HG23 VAL 67 2HG2 VAL 67 -21.121 7.023 -1.610 537 H ILE 68 H ILE 68 -20.505 11.941 -0.078 538 HA ILE 68 HA ILE 68 -22.601 12.617 1.901 539 HB ILE 68 HB ILE 68 -19.916 14.016 1.408 540 HG12 ILE 68 2HG1 ILE 68 -20.669 12.077 3.663 541 HG13 ILE 68 3HG1 ILE 68 -19.560 11.729 2.343 542 HG21 ILE 68 1HG2 ILE 68 -21.943 14.358 3.659 543 HG22 ILE 68 2HG2 ILE 68 -21.659 15.490 2.336 544 HG23 ILE 68 3HG2 ILE 68 -20.392 15.201 3.526 545 HD11 ILE 68 3HD1 ILE 68 -18.040 13.467 3.186 546 HD12 ILE 68 1HD1 ILE 68 -18.361 12.203 4.375 547 HD13 ILE 68 2HD1 ILE 68 -19.156 13.769 4.521 548 H ILE 69 H ILE 69 -24.204 13.821 1.053 549 HA ILE 69 HA ILE 69 -24.067 14.843 -1.623 550 HB ILE 69 HB ILE 69 -26.275 15.246 0.445 551 HG12 ILE 69 2HG1 ILE 69 -25.859 12.836 0.112 552 HG13 ILE 69 3HG1 ILE 69 -27.400 13.287 -0.598 553 HG21 ILE 69 1HG2 ILE 69 -26.372 15.488 -2.583 554 HG22 ILE 69 2HG2 ILE 69 -26.476 16.815 -1.426 555 HG23 ILE 69 3HG2 ILE 69 -27.763 15.613 -1.499 556 HD11 ILE 69 3HD1 ILE 69 -24.829 12.788 -2.116 557 HD12 ILE 69 1HD1 ILE 69 -26.374 13.247 -2.834 558 HD13 ILE 69 2HD1 ILE 69 -26.211 11.699 -2.007 559 H GLY 70 H GLY 70 -23.978 16.937 -2.307 560 HA2 GLY 70 2HA GLY 70 -23.587 19.205 -2.270 561 HA3 GLY 70 3HA GLY 70 -23.722 19.204 -0.509 562 H TYR 71 H TYR 71 -21.676 16.737 -1.594 563 HA TYR 71 HA TYR 71 -19.236 18.364 -1.614 564 HB2 TYR 71 2HB TYR 71 -19.724 16.004 0.264 565 HB3 TYR 71 3HB TYR 71 -18.131 16.690 -0.053 566 HD1 TYR 71 HD2 TYR 71 -17.538 18.942 0.819 567 HD2 TYR 71 HD1 TYR 71 -21.344 17.198 1.668 568 HE1 TYR 71 HE2 TYR 71 -17.914 20.606 2.580 569 HE2 TYR 71 HE1 TYR 71 -21.715 18.866 3.424 570 HH TYR 71 HH TYR 71 -20.467 20.358 4.839 571 H THR 72 H THR 72 -17.509 17.378 -2.616 572 HA THR 72 HA THR 72 -17.853 14.791 -3.963 573 HB THR 72 HB THR 72 -16.681 17.315 -5.264 574 HG1 THR 72 HG1 THR 72 -19.261 16.264 -5.212 575 HG21 THR 72 3HG2 THR 72 -17.315 14.598 -6.496 576 HG22 THR 72 1HG2 THR 72 -15.696 15.206 -6.143 577 HG23 THR 72 2HG2 THR 72 -16.694 16.009 -7.355 578 H ALA 73 H ALA 73 -16.255 13.545 -3.159 579 HA ALA 73 HA ALA 73 -14.049 14.429 -1.622 580 HB1 ALA 73 3HB ALA 73 -15.098 12.229 -1.331 581 HB2 ALA 73 1HB ALA 73 -13.374 12.049 -1.668 582 HB3 ALA 73 2HB ALA 73 -14.559 11.742 -2.937 583 H ASP 74 H ASP 74 -11.785 14.320 -2.096 584 HA ASP 74 HA ASP 74 -11.004 15.246 -4.702 585 HB2 ASP 74 2HB ASP 74 -9.890 15.974 -2.577 586 HB3 ASP 74 3HB ASP 74 -9.273 14.343 -2.349 587 H LYS 75 H LYS 75 -10.657 12.280 -2.857 588 HA LYS 75 HA LYS 75 -10.444 10.741 -5.338 589 HB2 LYS 75 2HB LYS 75 -9.055 9.007 -4.097 590 HB3 LYS 75 3HB LYS 75 -8.218 10.498 -4.482 591 HG2 LYS 75 2HG LYS 75 -9.416 10.032 -1.747 592 HG3 LYS 75 3HG LYS 75 -7.825 9.407 -2.168 593 HD2 LYS 75 2HD LYS 75 -8.526 12.352 -2.430 594 HD3 LYS 75 3HD LYS 75 -7.943 11.656 -0.923 595 HE2 LYS 75 2HE LYS 75 -6.082 12.671 -2.066 596 HE3 LYS 75 3HE LYS 75 -5.868 10.924 -2.103 597 HZ1 LYS 75 3HZ LYS 75 -5.325 11.952 -4.209 598 HZ2 LYS 75 1HZ LYS 75 -6.889 12.586 -4.336 599 HZ3 LYS 75 2HZ LYS 75 -6.640 10.911 -4.378 600 HA PRO 76 HA PRO 76 -14.271 9.351 -3.129 601 HB2 PRO 76 2HB PRO 76 -15.614 8.665 -5.428 602 HB3 PRO 76 3HB PRO 76 -15.553 10.330 -4.813 603 HG2 PRO 76 2HG PRO 76 -13.887 9.053 -6.959 604 HG3 PRO 76 3HG PRO 76 -14.713 10.630 -6.970 605 HD2 PRO 76 2HD PRO 76 -12.076 10.430 -6.464 606 HD3 PRO 76 3HD PRO 76 -13.082 11.648 -5.649 607 H MET 77 H MET 77 -11.867 7.865 -5.018 608 HA MET 77 HA MET 77 -12.298 5.358 -3.578 609 HB2 MET 77 2HB MET 77 -13.238 5.002 -5.885 610 HB3 MET 77 3HB MET 77 -11.683 5.452 -6.570 611 HG2 MET 77 2HG MET 77 -10.649 3.510 -5.423 612 HG3 MET 77 3HG MET 77 -12.245 3.043 -4.824 613 HE1 MET 77 3HE MET 77 -11.736 0.273 -7.505 614 HE2 MET 77 1HE MET 77 -12.254 0.633 -5.857 615 HE3 MET 77 2HE MET 77 -10.576 0.898 -6.334 616 H VAL 78 H VAL 78 -10.490 5.321 -2.350 617 HA VAL 78 HA VAL 78 -8.229 6.968 -2.949 618 HB VAL 78 HB VAL 78 -8.641 4.911 -0.742 619 HG11 VAL 78 1HG1 VAL 78 -6.316 6.823 -1.171 620 HG12 VAL 78 2HG1 VAL 78 -6.255 5.061 -1.132 621 HG13 VAL 78 3HG1 VAL 78 -6.621 5.959 0.334 622 HG21 VAL 78 3HG2 VAL 78 -8.925 6.907 0.712 623 HG22 VAL 78 1HG2 VAL 78 -10.121 6.879 -0.586 624 HG23 VAL 78 2HG2 VAL 78 -8.732 7.959 -0.692 625 H GLY 79 H GLY 79 -6.800 6.473 -4.440 626 HA2 GLY 79 2HA GLY 79 -5.102 5.473 -5.569 627 HA3 GLY 79 3HA GLY 79 -4.804 4.596 -4.082 628 HA PRO 80 HA PRO 80 -7.213 1.508 -6.776 629 HB2 PRO 80 2HB PRO 80 -8.633 2.239 -8.950 630 HB3 PRO 80 3HB PRO 80 -9.274 2.490 -7.313 631 HG2 PRO 80 2HG PRO 80 -8.090 4.471 -9.200 632 HG3 PRO 80 3HG PRO 80 -9.425 4.666 -8.043 633 HD2 PRO 80 2HD PRO 80 -6.744 5.452 -7.612 634 HD3 PRO 80 3HD PRO 80 -7.994 5.301 -6.361 635 H ASP 81 H ASP 81 -4.899 1.222 -7.077 636 HA ASP 81 HA ASP 81 -4.003 1.143 -9.820 637 HB2 ASP 81 2HB ASP 81 -3.503 3.489 -9.272 638 HB3 ASP 81 3HB ASP 81 -2.671 3.003 -7.795 639 H GLU 82 H GLU 82 -2.212 -0.132 -10.115 640 HA GLU 82 HA GLU 82 -1.708 -2.155 -8.086 641 HB2 GLU 82 2HB GLU 82 -0.785 -1.893 -10.982 642 HB3 GLU 82 3HB GLU 82 -0.212 -3.177 -9.929 643 HG2 GLU 82 2HG GLU 82 -2.013 -3.972 -11.362 644 HG3 GLU 82 3HG GLU 82 -2.486 -4.027 -9.663 645 H VAL 83 H VAL 83 -0.341 -1.669 -6.515 646 HA VAL 83 HA VAL 83 1.839 0.245 -6.824 647 HB VAL 83 HB VAL 83 0.864 -1.385 -4.433 648 HG11 VAL 83 1HG1 VAL 83 3.085 0.698 -4.432 649 HG12 VAL 83 2HG1 VAL 83 3.277 -1.035 -4.164 650 HG13 VAL 83 3HG1 VAL 83 2.378 -0.066 -3.001 651 HG21 VAL 83 3HG2 VAL 83 0.662 1.585 -5.057 652 HG22 VAL 83 1HG2 VAL 83 0.086 0.804 -3.580 653 HG23 VAL 83 2HG2 VAL 83 -0.649 0.406 -5.131 654 H THR 84 H THR 84 3.948 -0.300 -7.203 655 HA THR 84 HA THR 84 4.615 -3.183 -7.426 656 HB THR 84 HB THR 84 5.931 -0.873 -8.931 657 HG1 THR 84 HG1 THR 84 3.834 -0.973 -9.642 658 HG21 THR 84 3HG2 THR 84 7.312 -2.915 -8.785 659 HG22 THR 84 1HG2 THR 84 6.754 -2.647 -10.432 660 HG23 THR 84 2HG2 THR 84 5.979 -3.879 -9.432 661 H VAL 85 H VAL 85 6.038 -3.898 -5.985 662 HA VAL 85 HA VAL 85 8.157 -2.089 -4.947 663 HB VAL 85 HB VAL 85 6.930 -4.538 -3.582 664 HG11 VAL 85 1HG1 VAL 85 8.477 -4.095 -1.683 665 HG12 VAL 85 2HG1 VAL 85 9.305 -2.865 -2.648 666 HG13 VAL 85 3HG1 VAL 85 9.344 -4.558 -3.146 667 HG21 VAL 85 3HG2 VAL 85 6.265 -2.912 -1.830 668 HG22 VAL 85 1HG2 VAL 85 5.596 -2.467 -3.399 669 HG23 VAL 85 2HG2 VAL 85 6.990 -1.594 -2.758 670 H ASP 86 H ASP 86 10.092 -2.435 -5.740 671 HA ASP 86 HA ASP 86 10.913 -5.048 -6.859 672 HB2 ASP 86 2HB ASP 86 11.227 -2.793 -8.113 673 HB3 ASP 86 3HB ASP 86 12.419 -2.374 -6.897 674 H SER 87 H SER 87 13.073 -5.837 -6.156 675 HA SER 87 HA SER 87 13.515 -5.984 -3.397 676 HB2 SER 87 2HB SER 87 15.521 -6.455 -5.622 677 HB3 SER 87 3HB SER 87 15.646 -7.059 -3.964 678 HG SER 87 HG SER 87 14.645 -8.415 -5.788 679 H LYS 88 H LYS 88 14.681 -3.699 -5.742 680 HA LYS 88 HA LYS 88 16.857 -2.524 -4.343 681 HB2 LYS 88 2HB LYS 88 15.068 -1.299 -6.484 682 HB3 LYS 88 3HB LYS 88 16.663 -0.708 -6.011 683 HG2 LYS 88 2HG LYS 88 17.705 -2.752 -6.854 684 HG3 LYS 88 3HG LYS 88 16.118 -3.435 -7.216 685 HD2 LYS 88 2HD LYS 88 15.783 -1.450 -8.817 686 HD3 LYS 88 3HD LYS 88 17.506 -1.114 -8.604 687 HE2 LYS 88 2HE LYS 88 17.114 -2.444 -10.628 688 HE3 LYS 88 3HE LYS 88 18.043 -3.379 -9.455 689 HZ1 LYS 88 3HZ LYS 88 16.231 -4.649 -10.524 690 HZ2 LYS 88 1HZ LYS 88 15.098 -3.598 -9.836 691 HZ3 LYS 88 2HZ LYS 88 16.052 -4.572 -8.842 692 H ASN 89 H ASN 89 13.369 -1.916 -4.288 693 HA ASN 89 HA ASN 89 13.748 0.110 -2.143 694 HB2 ASN 89 2HB ASN 89 11.611 1.115 -2.786 695 HB3 ASN 89 3HB ASN 89 12.665 1.028 -4.189 696 HD21 ASN 89 1HD2 ASN 89 9.821 -0.315 -2.678 697 HD22 ASN 89 2HD2 ASN 89 9.168 -1.018 -4.103 698 H PHE 90 H PHE 90 13.548 -2.919 -2.058 699 HA PHE 90 HA PHE 90 10.974 -3.612 -0.986 700 HB2 PHE 90 2HB PHE 90 12.328 -5.227 -2.232 701 HB3 PHE 90 3HB PHE 90 13.596 -5.160 -1.012 702 HD1 PHE 90 HD2 PHE 90 9.991 -6.038 -1.488 703 HD2 PHE 90 HD1 PHE 90 13.533 -6.684 0.807 704 HE1 PHE 90 HE2 PHE 90 8.863 -7.827 -0.248 705 HE2 PHE 90 HE1 PHE 90 12.392 -8.461 2.048 706 HZ PHE 90 HZ PHE 90 10.063 -9.050 1.518 707 H LEU 91 H LEU 91 14.054 -2.734 0.446 708 HA LEU 91 HA LEU 91 13.347 -3.475 3.148 709 HB2 LEU 91 2HB LEU 91 15.623 -1.788 2.039 710 HB3 LEU 91 3HB LEU 91 15.418 -2.112 3.748 711 HG LEU 91 HG LEU 91 17.123 -3.606 2.891 712 HD11 LEU 91 1HD1 LEU 91 14.556 -5.151 3.362 713 HD12 LEU 91 2HD1 LEU 91 15.633 -4.520 4.610 714 HD13 LEU 91 3HD1 LEU 91 16.192 -5.794 3.529 715 HD21 LEU 91 3HD2 LEU 91 15.108 -4.606 0.838 716 HD22 LEU 91 1HD2 LEU 91 16.726 -5.260 1.114 717 HD23 LEU 91 2HD2 LEU 91 16.535 -3.623 0.496 718 H ASP 92 H ASP 92 12.961 -0.727 1.078 719 HA ASP 92 HA ASP 92 11.969 1.073 3.122 720 HB2 ASP 92 2HB ASP 92 12.955 2.099 1.183 721 HB3 ASP 92 3HB ASP 92 11.951 1.163 0.083 722 H LYS 93 H LYS 93 9.895 1.273 3.752 723 HA LYS 93 HA LYS 93 7.761 -0.355 2.496 724 HB2 LYS 93 2HB LYS 93 6.462 0.148 4.560 725 HB3 LYS 93 3HB LYS 93 8.004 -0.618 4.939 726 HG2 LYS 93 2HG LYS 93 8.968 1.569 5.545 727 HG3 LYS 93 3HG LYS 93 7.452 2.365 5.129 728 HD2 LYS 93 2HD LYS 93 6.319 1.125 6.960 729 HD3 LYS 93 3HD LYS 93 7.851 0.348 7.373 730 HE2 LYS 93 2HE LYS 93 8.826 2.586 7.873 731 HE3 LYS 93 3HE LYS 93 7.269 3.333 7.503 732 HZ1 LYS 93 3HZ LYS 93 6.295 2.054 9.325 733 HZ2 LYS 93 1HZ LYS 93 7.546 3.059 9.863 734 HZ3 LYS 93 2HZ LYS 93 7.809 1.400 9.686 735 H GLN 94 H GLN 94 5.681 0.783 2.070 736 HA GLN 94 HA GLN 94 6.042 3.669 1.433 737 HB2 GLN 94 2HB GLN 94 3.978 1.794 0.216 738 HB3 GLN 94 3HB GLN 94 4.396 3.420 -0.313 739 HG2 GLN 94 2HG GLN 94 6.646 2.584 -0.969 740 HG3 GLN 94 3HG GLN 94 6.150 0.959 -0.490 741 HE21 GLN 94 1HE2 GLN 94 6.487 0.162 -2.576 742 HE22 GLN 94 2HE2 GLN 94 5.400 0.506 -3.875 743 H ASN 95 H ASN 95 5.382 2.642 4.048 744 HA ASN 95 HA ASN 95 2.674 2.755 4.753 745 HB2 ASN 95 2HB ASN 95 4.460 1.929 6.262 746 HB3 ASN 95 3HB ASN 95 5.112 3.554 6.406 747 HD21 ASN 95 1HD2 ASN 95 2.525 1.412 7.338 748 HD22 ASN 95 2HD2 ASN 95 1.871 2.399 8.589 749 H ARG 96 H ARG 96 1.409 4.408 4.091 750 HA ARG 96 HA ARG 96 2.258 7.216 4.505 751 HB2 ARG 96 2HB ARG 96 2.719 6.655 2.172 752 HB3 ARG 96 3HB ARG 96 1.133 5.942 1.974 753 HG2 ARG 96 2HG ARG 96 1.185 8.081 0.851 754 HG3 ARG 96 3HG ARG 96 0.098 8.178 2.237 755 HD2 ARG 96 2HD ARG 96 2.038 9.226 3.526 756 HD3 ARG 96 3HD ARG 96 2.886 9.345 1.979 757 HE ARG 96 HE ARG 96 0.482 10.500 1.474 758 HH11 ARG 96 1HH1 ARG 96 2.944 11.138 3.914 759 HH12 ARG 96 2HH1 ARG 96 2.553 12.821 4.029 760 HH21 ARG 96 2HH2 ARG 96 -0.035 12.685 1.671 761 HH22 ARG 96 1HH2 ARG 96 0.857 13.695 2.753 762 H GLU 97 H GLU 97 0.662 8.548 5.195 763 HA GLU 97 HA GLU 97 -2.048 7.538 5.577 764 HB2 GLU 97 2HB GLU 97 -0.648 10.097 6.427 765 HB3 GLU 97 3HB GLU 97 -2.384 9.871 6.615 766 HG2 GLU 97 2HG GLU 97 -1.961 7.888 8.044 767 HG3 GLU 97 3HG GLU 97 -0.228 8.178 7.896 768 H GLU 98 H GLU 98 -3.508 7.765 3.994 769 HA GLU 98 HA GLU 98 -3.225 9.971 2.038 770 HB2 GLU 98 2HB GLU 98 -3.293 7.612 1.137 771 HB3 GLU 98 3HB GLU 98 -4.908 7.436 1.808 772 HG2 GLU 98 2HG GLU 98 -5.044 7.920 -0.552 773 HG3 GLU 98 3HG GLU 98 -5.723 9.255 0.374 774 H THR 99 H THR 99 -4.413 11.697 2.612 775 HA THR 99 HA THR 99 -6.929 11.437 4.065 776 HB THR 99 HB THR 99 -5.630 14.016 3.063 777 HG1 THR 99 HG1 THR 99 -4.176 12.757 4.366 778 HG21 THR 99 3HG2 THR 99 -7.955 14.213 3.897 779 HG22 THR 99 1HG2 THR 99 -6.814 15.027 4.966 780 HG23 THR 99 2HG2 THR 99 -7.470 13.450 5.417 781 H VAL 100 H VAL 100 -8.858 11.529 3.069 782 HA VAL 100 HA VAL 100 -9.017 12.366 0.229 783 HB VAL 100 HB VAL 100 -9.936 10.270 0.078 784 HG11 VAL 100 1HG1 VAL 100 -10.974 8.985 1.870 785 HG12 VAL 100 2HG1 VAL 100 -10.935 10.399 2.925 786 HG13 VAL 100 3HG1 VAL 100 -9.426 9.658 2.392 787 HG21 VAL 100 3HG2 VAL 100 -11.834 11.762 -0.492 788 HG22 VAL 100 1HG2 VAL 100 -12.411 11.655 1.175 789 HG23 VAL 100 2HG2 VAL 100 -12.386 10.215 0.154 790 H ILE 101 H ILE 101 -9.976 14.286 -0.219 791 HA ILE 101 HA ILE 101 -11.155 15.755 2.067 792 HB ILE 101 HB ILE 101 -9.486 16.740 -0.286 793 HG12 ILE 101 2HG1 ILE 101 -8.226 15.754 1.635 794 HG13 ILE 101 3HG1 ILE 101 -7.892 17.469 1.444 795 HG21 ILE 101 1HG2 ILE 101 -11.251 18.386 0.058 796 HG22 ILE 101 2HG2 ILE 101 -9.719 19.029 0.644 797 HG23 ILE 101 3HG2 ILE 101 -10.921 18.434 1.793 798 HD11 ILE 101 3HD1 ILE 101 -8.110 16.852 3.797 799 HD12 ILE 101 1HD1 ILE 101 -9.743 16.254 3.503 800 HD13 ILE 101 2HD1 ILE 101 -9.387 17.972 3.323 801 H TYR 102 H TYR 102 -13.237 15.768 1.896 802 HA TYR 102 HA TYR 102 -14.775 15.859 -0.528 803 HB2 TYR 102 2HB TYR 102 -15.598 16.120 2.399 804 HB3 TYR 102 3HB TYR 102 -16.721 16.008 1.045 805 HD1 TYR 102 HD1 TYR 102 -14.070 14.143 2.894 806 HD2 TYR 102 HD2 TYR 102 -17.350 13.847 0.186 807 HE1 TYR 102 HE1 TYR 102 -13.996 11.705 3.082 808 HE2 TYR 102 HE2 TYR 102 -17.285 11.403 0.397 809 HH TYR 102 HH TYR 102 -15.589 9.813 2.797 810 H SER 103 H SER 103 -14.611 17.749 -1.606 811 HA SER 103 HA SER 103 -14.610 20.309 -0.164 812 HB2 SER 103 2HB SER 103 -14.242 19.757 -3.144 813 HB3 SER 103 3HB SER 103 -13.947 21.284 -2.306 814 HG SER 103 HG SER 103 -12.497 18.863 -2.168 815 H ALA 104 H ALA 104 -16.366 21.796 -0.647 816 HA ALA 104 HA ALA 104 -18.954 20.913 -1.005 817 HB1 ALA 104 3HB ALA 104 -17.822 23.604 -1.872 818 HB2 ALA 104 1HB ALA 104 -18.384 23.198 -0.248 819 HB3 ALA 104 2HB ALA 104 -19.527 23.246 -1.589 820 H ASN 105 H ASN 105 -20.212 20.341 -2.740 821 HA ASN 105 HA ASN 105 -19.054 19.451 -5.159 822 HB2 ASN 105 2HB ASN 105 -21.292 18.753 -3.936 823 HB3 ASN 105 3HB ASN 105 -22.016 20.029 -4.893 824 HD21 ASN 105 1HD2 ASN 105 -22.713 17.320 -4.969 825 HD22 ASN 105 2HD2 ASN 105 -22.387 16.731 -6.554 826 H THR 106 H THR 106 -19.526 20.190 -7.333 827 HA THR 106 HA THR 106 -18.728 22.711 -7.961 828 HB THR 106 HB THR 106 -18.686 20.903 -9.571 829 HG1 THR 106 HG1 THR 106 -18.634 22.545 -10.902 830 HG21 THR 106 3HG2 THR 106 -21.717 21.150 -9.764 831 HG22 THR 106 1HG2 THR 106 -20.858 19.833 -8.950 832 HG23 THR 106 2HG2 THR 106 -20.699 20.050 -10.696 833 H ILE 107 H ILE 107 -22.073 21.728 -7.366 834 HA ILE 107 HA ILE 107 -23.320 24.090 -8.439 835 HB ILE 107 HB ILE 107 -24.449 22.065 -6.456 836 HG12 ILE 107 2HG1 ILE 107 -23.796 20.872 -8.459 837 HG13 ILE 107 3HG1 ILE 107 -25.546 21.025 -8.474 838 HG21 ILE 107 1HG2 ILE 107 -25.920 24.079 -8.201 839 HG22 ILE 107 2HG2 ILE 107 -25.772 24.121 -6.444 840 HG23 ILE 107 3HG2 ILE 107 -26.688 22.826 -7.215 841 HD11 ILE 107 3HD1 ILE 107 -24.650 21.356 -10.688 842 HD12 ILE 107 1HD1 ILE 107 -23.584 22.635 -10.109 843 HD13 ILE 107 2HD1 ILE 107 -25.333 22.873 -10.107 844 H THR 108 H THR 108 -22.475 22.989 -5.165 845 HA THR 108 HA THR 108 -23.392 25.490 -3.964 846 HB THR 108 HB THR 108 -24.052 23.339 -2.934 847 HG1 THR 108 HG1 THR 108 -22.332 24.791 -1.187 848 HG21 THR 108 3HG2 THR 108 -21.106 22.994 -2.276 849 HG22 THR 108 1HG2 THR 108 -22.042 21.989 -3.380 850 HG23 THR 108 2HG2 THR 108 -22.418 21.991 -1.653 851 H GLN 109 H GLN 109 -20.579 24.540 -5.426 852 HA GLN 109 HA GLN 109 -18.602 25.742 -3.758 853 HB2 GLN 109 2HB GLN 109 -18.690 25.105 -6.729 854 HB3 GLN 109 3HB GLN 109 -17.384 26.094 -6.080 855 HG2 GLN 109 2HG GLN 109 -16.866 24.243 -4.478 856 HG3 GLN 109 3HG GLN 109 -18.064 23.259 -5.310 857 HE21 GLN 109 1HE2 GLN 109 -14.939 24.805 -5.587 858 HE22 GLN 109 2HE2 GLN 109 -14.381 23.898 -6.945 859 H ASN 110 H ASN 110 -18.814 27.773 -3.056 860 HA ASN 110 HA ASN 110 -19.314 29.963 -4.977 861 HB2 ASN 110 2HB ASN 110 -20.084 29.977 -2.022 862 HB3 ASN 110 3HB ASN 110 -20.344 31.282 -3.173 863 HD21 ASN 110 1HD2 ASN 110 -21.281 29.436 -5.326 864 HD22 ASN 110 2HD2 ASN 110 -22.865 28.950 -4.859 865 H LYS 111 H LYS 111 -18.237 31.996 -4.306 866 HA LYS 111 HA LYS 111 -15.506 31.434 -3.407 867 HB2 LYS 111 2HB LYS 111 -16.635 33.982 -4.656 868 HB3 LYS 111 3HB LYS 111 -14.947 33.689 -4.278 869 HG2 LYS 111 2HG LYS 111 -15.073 33.355 -6.597 870 HG3 LYS 111 3HG LYS 111 -15.081 31.718 -5.935 871 HD2 LYS 111 2HD LYS 111 -17.487 31.548 -6.259 872 HD3 LYS 111 3HD LYS 111 -17.579 33.238 -6.764 873 HE2 LYS 111 2HE LYS 111 -17.683 31.807 -8.726 874 HE3 LYS 111 3HE LYS 111 -16.157 32.689 -8.744 875 HZ1 LYS 111 3HZ LYS 111 -16.488 29.900 -7.793 876 HZ2 LYS 111 1HZ LYS 111 -15.025 30.736 -7.960 877 HZ3 LYS 111 2HZ LYS 111 -15.935 30.333 -9.330 878 H LYS 112 H LYS 112 -15.471 31.392 -1.235 879 HA LYS 112 HA LYS 112 -15.961 33.897 0.261 880 HB2 LYS 112 2HB LYS 112 -16.658 31.157 1.425 881 HB3 LYS 112 3HB LYS 112 -16.929 32.731 2.171 882 HG2 LYS 112 2HG LYS 112 -18.575 33.241 0.353 883 HG3 LYS 112 3HG LYS 112 -18.343 31.599 -0.255 884 HD2 LYS 112 2HD LYS 112 -19.184 30.698 1.909 885 HD3 LYS 112 3HD LYS 112 -19.434 32.350 2.488 886 HE2 LYS 112 2HE LYS 112 -21.069 32.724 0.639 887 HE3 LYS 112 3HE LYS 112 -20.838 31.051 0.120 888 HZ1 LYS 112 3HZ LYS 112 -21.950 31.960 2.723 889 HZ2 LYS 112 1HZ LYS 112 -21.643 30.344 2.321 890 HZ3 LYS 112 2HZ LYS 112 -22.805 31.226 1.464 891 H ASP 113 H ASP 113 -14.733 30.598 0.535 892 HA ASP 113 HA ASP 113 -12.383 31.441 2.080 893 HB2 ASP 113 2HB ASP 113 -13.453 28.676 1.356 894 HB3 ASP 113 3HB ASP 113 -12.023 28.975 2.351 895 H GLY 114 H GLY 114 -10.529 29.527 1.349 896 HA2 GLY 114 2HA GLY 114 -9.148 28.826 -0.461 897 HA3 GLY 114 3HA GLY 114 -9.905 30.028 -1.496 898 H LEU 115 H LEU 115 -9.072 31.057 1.679 899 HA LEU 115 HA LEU 115 -7.081 32.917 0.723 900 HB2 LEU 115 2HB LEU 115 -7.911 32.307 3.590 901 HB3 LEU 115 3HB LEU 115 -6.988 33.705 3.060 902 HG LEU 115 HG LEU 115 -9.912 33.128 2.433 903 HD11 LEU 115 1HD1 LEU 115 -10.426 35.073 3.836 904 HD12 LEU 115 2HD1 LEU 115 -8.714 35.259 4.231 905 HD13 LEU 115 3HD1 LEU 115 -9.593 33.818 4.750 906 HD21 LEU 115 3HD2 LEU 115 -8.256 35.527 1.587 907 HD22 LEU 115 1HD2 LEU 115 -10.005 35.358 1.390 908 HD23 LEU 115 2HD2 LEU 115 -8.915 34.277 0.530 909 H GLU 116 H GLU 116 -6.826 30.845 3.595 910 HA GLU 116 HA GLU 116 -4.989 28.944 2.702 911 HB2 GLU 116 2HB GLU 116 -3.353 30.851 2.622 912 HB3 GLU 116 3HB GLU 116 -3.679 31.184 4.319 913 HG2 GLU 116 2HG GLU 116 -2.858 28.815 4.812 914 HG3 GLU 116 3HG GLU 116 -2.290 28.753 3.147 915 H HIS 117 H HIS 117 -5.422 27.293 4.066 916 HA HIS 117 HA HIS 117 -6.506 27.747 6.725 917 HB2 HIS 117 2HB HIS 117 -7.313 25.917 5.256 918 HB3 HIS 117 3HB HIS 117 -5.744 25.139 5.390 919 HD1 HIS 117 HD1 HIS 117 -5.544 23.474 7.259 920 HD2 HIS 117 HD2 HIS 117 -8.675 26.149 7.864 921 HE1 HIS 117 HE1 HIS 117 -6.721 22.689 9.337 922 HE2 HIS 117 HE2 HIS 117 -8.639 24.290 9.656 923 H HIS 118 H HIS 118 -4.895 28.804 7.617 924 HA HIS 118 HA HIS 118 -2.145 28.151 7.628 925 HB2 HIS 118 2HB HIS 118 -2.068 30.000 9.457 926 HB3 HIS 118 3HB HIS 118 -2.610 30.445 7.846 927 HD1 HIS 118 HD1 HIS 118 -5.085 31.114 7.560 928 HD2 HIS 118 HD2 HIS 118 -4.021 30.237 11.485 929 HE1 HIS 118 HE1 HIS 118 -6.999 31.922 8.975 930 HE2 HIS 118 HE2 HIS 118 -6.357 31.351 11.339 931 H HIS 119 H HIS 119 -1.846 26.116 8.348 932 HA HIS 119 HA HIS 119 -2.642 25.265 11.035 933 HB2 HIS 119 2HB HIS 119 -1.525 23.078 10.316 934 HB3 HIS 119 3HB HIS 119 -2.923 23.581 9.380 935 HD1 HIS 119 HD1 HIS 119 -2.572 24.130 6.911 936 HD2 HIS 119 HD2 HIS 119 0.966 23.155 8.866 937 HE1 HIS 119 HE1 HIS 119 -0.878 23.787 5.096 938 HE2 HIS 119 HE2 HIS 119 1.217 23.061 6.284 939 H HIS 120 H HIS 120 0.002 26.899 9.682 940 HA HIS 120 HA HIS 120 2.109 25.808 11.317 941 HB2 HIS 120 2HB HIS 120 2.634 26.871 9.167 942 HB3 HIS 120 3HB HIS 120 1.963 28.399 9.727 943 HD1 HIS 120 HD1 HIS 120 3.483 29.911 11.104 944 HD2 HIS 120 HD2 HIS 120 5.164 26.168 10.417 945 HE1 HIS 120 HE1 HIS 120 5.865 30.091 11.878 946 HE2 HIS 120 HE2 HIS 120 6.881 27.831 11.418 947 H HIS 121 H HIS 121 1.138 25.844 13.373 948 HA HIS 121 HA HIS 121 0.776 26.541 15.484 949 HB2 HIS 121 2HB HIS 121 3.205 26.877 15.318 950 HB3 HIS 121 3HB HIS 121 2.959 28.510 14.722 951 HD1 HIS 121 HD1 HIS 121 2.235 30.324 16.473 952 HD2 HIS 121 HD2 HIS 121 2.984 26.572 18.103 953 HE1 HIS 121 HE1 HIS 121 2.386 30.684 18.956 954 HE2 HIS 121 HE2 HIS 121 2.715 28.391 19.936 955 H HIS 122 H HIS 122 -1.388 27.263 15.298 956 HA HIS 122 HA HIS 122 -1.748 30.197 15.214 957 HB2 HIS 122 2HB HIS 122 -3.974 29.856 14.158 958 HB3 HIS 122 3HB HIS 122 -2.659 29.284 13.148 959 HD1 HIS 122 HD1 HIS 122 -5.922 28.368 14.210 960 HD2 HIS 122 HD2 HIS 122 -2.428 26.264 13.429 961 HE1 HIS 122 HE1 HIS 122 -6.634 25.995 13.874 962 HE2 HIS 122 HE2 HIS 122 -4.486 24.713 13.688 Start of MODEL 16 1 H1 MET 1 1H MET 1 18.905 -31.160 0.888 2 H2 MET 1 2H MET 1 19.426 -29.650 1.414 3 H3 MET 1 3H MET 1 18.795 -29.828 -0.133 4 HA MET 1 HA MET 1 16.656 -30.318 0.687 5 HB2 MET 1 2HB MET 1 17.470 -31.462 2.792 6 HB3 MET 1 3HB MET 1 17.787 -29.875 3.484 7 HG2 MET 1 2HG MET 1 15.391 -29.319 3.308 8 HG3 MET 1 3HG MET 1 15.073 -30.907 2.608 9 HE1 MET 1 3HE MET 1 13.456 -31.166 6.196 10 HE2 MET 1 1HE MET 1 13.156 -31.294 4.463 11 HE3 MET 1 2HE MET 1 13.507 -29.723 5.189 12 H ILE 2 H ILE 2 15.688 -28.566 0.010 13 HA ILE 2 HA ILE 2 16.439 -25.866 0.931 14 HB ILE 2 HB ILE 2 14.918 -26.778 -1.563 15 HG12 ILE 2 2HG1 ILE 2 17.382 -27.167 -1.642 16 HG13 ILE 2 3HG1 ILE 2 16.864 -25.983 -2.838 17 HG21 ILE 2 1HG2 ILE 2 15.614 -23.926 -0.742 18 HG22 ILE 2 2HG2 ILE 2 13.996 -24.630 -0.788 19 HG23 ILE 2 3HG2 ILE 2 14.901 -24.410 -2.284 20 HD11 ILE 2 3HD1 ILE 2 18.950 -25.326 -1.812 21 HD12 ILE 2 1HD1 ILE 2 18.223 -25.406 -0.207 22 HD13 ILE 2 2HD1 ILE 2 17.681 -24.187 -1.363 23 H GLU 3 H GLU 3 14.978 -24.663 2.043 24 HA GLU 3 HA GLU 3 12.147 -25.540 2.081 25 HB2 GLU 3 2HB GLU 3 11.909 -24.544 4.311 26 HB3 GLU 3 3HB GLU 3 13.150 -25.789 4.319 27 HG2 GLU 3 2HG GLU 3 14.906 -24.128 4.405 28 HG3 GLU 3 3HG GLU 3 13.744 -22.830 4.132 29 HA PRO 4 HA PRO 4 11.246 -21.488 0.280 30 HB2 PRO 4 2HB PRO 4 8.563 -21.366 0.918 31 HB3 PRO 4 3HB PRO 4 9.186 -22.348 -0.423 32 HG2 PRO 4 2HG PRO 4 8.445 -23.215 2.354 33 HG3 PRO 4 3HG PRO 4 8.085 -23.993 0.794 34 HD2 PRO 4 2HD PRO 4 10.105 -24.875 2.354 35 HD3 PRO 4 3HD PRO 4 10.217 -24.889 0.582 36 H ILE 5 H ILE 5 11.655 -19.568 1.219 37 HA ILE 5 HA ILE 5 10.808 -18.969 3.982 38 HB ILE 5 HB ILE 5 13.022 -17.690 4.234 39 HG12 ILE 5 2HG1 ILE 5 14.035 -19.522 2.005 40 HG13 ILE 5 3HG1 ILE 5 13.559 -17.856 1.717 41 HG21 ILE 5 1HG2 ILE 5 12.613 -19.746 5.460 42 HG22 ILE 5 2HG2 ILE 5 14.309 -19.671 4.963 43 HG23 ILE 5 3HG2 ILE 5 13.178 -20.712 4.092 44 HD11 ILE 5 3HD1 ILE 5 15.289 -17.085 3.214 45 HD12 ILE 5 1HD1 ILE 5 15.946 -18.076 1.914 46 HD13 ILE 5 2HD1 ILE 5 15.774 -18.751 3.535 47 H LYS 6 H LYS 6 10.149 -16.837 4.183 48 HA LYS 6 HA LYS 6 10.101 -15.238 1.689 49 HB2 LYS 6 2HB LYS 6 7.757 -16.193 3.327 50 HB3 LYS 6 3HB LYS 6 7.636 -14.748 2.377 51 HG2 LYS 6 2HG LYS 6 6.609 -16.428 1.155 52 HG3 LYS 6 3HG LYS 6 8.135 -16.142 0.356 53 HD2 LYS 6 2HD LYS 6 9.042 -18.210 1.152 54 HD3 LYS 6 3HD LYS 6 7.788 -18.388 2.378 55 HE2 LYS 6 2HE LYS 6 7.281 -18.542 -0.609 56 HE3 LYS 6 3HE LYS 6 7.544 -19.943 0.427 57 HZ1 LYS 6 3HZ LYS 6 5.347 -17.974 0.745 58 HZ2 LYS 6 1HZ LYS 6 5.595 -19.352 1.691 59 HZ3 LYS 6 2HZ LYS 6 5.197 -19.507 0.057 60 H ARG 7 H ARG 7 10.257 -13.075 1.977 61 HA ARG 7 HA ARG 7 10.109 -11.878 4.669 62 HB2 ARG 7 2HB ARG 7 11.178 -10.708 2.053 63 HB3 ARG 7 3HB ARG 7 11.160 -9.871 3.604 64 HG2 ARG 7 2HG ARG 7 12.659 -11.745 4.475 65 HG3 ARG 7 3HG ARG 7 12.818 -12.266 2.801 66 HD2 ARG 7 2HD ARG 7 13.716 -9.645 4.014 67 HD3 ARG 7 3HD ARG 7 14.731 -10.917 3.339 68 HE ARG 7 HE ARG 7 12.877 -9.599 1.496 69 HH11 ARG 7 2HH1 ARG 7 16.185 -9.826 2.690 70 HH12 ARG 7 1HH1 ARG 7 16.848 -8.974 1.331 71 HH21 ARG 7 1HH2 ARG 7 13.759 -8.387 -0.225 72 HH22 ARG 7 2HH2 ARG 7 15.483 -8.160 -0.320 73 H THR 8 H THR 8 8.799 -9.980 4.970 74 HA THR 8 HA THR 8 6.533 -9.678 3.082 75 HB THR 8 HB THR 8 6.424 -9.699 6.143 76 HG1 THR 8 HG1 THR 8 6.579 -11.762 5.014 77 HG21 THR 8 3HG2 THR 8 4.800 -8.072 5.190 78 HG22 THR 8 1HG2 THR 8 3.975 -9.465 5.881 79 HG23 THR 8 2HG2 THR 8 4.159 -9.331 4.131 80 H GLN 9 H GLN 9 6.950 -7.733 2.153 81 HA GLN 9 HA GLN 9 7.221 -5.370 3.937 82 HB2 GLN 9 2HB GLN 9 9.009 -5.430 2.300 83 HB3 GLN 9 3HB GLN 9 7.870 -5.717 0.989 84 HG2 GLN 9 2HG GLN 9 8.662 -3.425 0.918 85 HG3 GLN 9 3HG GLN 9 6.939 -3.447 1.274 86 HE21 GLN 9 1HE2 GLN 9 9.289 -1.551 1.851 87 HE22 GLN 9 2HE2 GLN 9 9.078 -1.152 3.516 88 H VAL 10 H VAL 10 5.441 -4.189 4.174 89 HA VAL 10 HA VAL 10 3.216 -4.519 2.254 90 HB VAL 10 HB VAL 10 1.703 -3.716 3.991 91 HG11 VAL 10 1HG1 VAL 10 1.858 -5.612 5.583 92 HG12 VAL 10 2HG1 VAL 10 3.514 -5.923 5.048 93 HG13 VAL 10 3HG1 VAL 10 2.170 -6.120 3.922 94 HG21 VAL 10 3HG2 VAL 10 4.129 -3.444 5.818 95 HG22 VAL 10 1HG2 VAL 10 2.444 -3.262 6.318 96 HG23 VAL 10 2HG2 VAL 10 3.154 -2.123 5.175 97 H VAL 11 H VAL 11 2.469 -2.778 1.147 98 HA VAL 11 HA VAL 11 3.674 -0.123 1.604 99 HB VAL 11 HB VAL 11 2.133 -1.284 -0.767 100 HG11 VAL 11 1HG1 VAL 11 1.337 1.031 -0.477 101 HG12 VAL 11 2HG1 VAL 11 2.380 0.922 -1.893 102 HG13 VAL 11 3HG1 VAL 11 2.999 1.624 -0.392 103 HG21 VAL 11 3HG2 VAL 11 4.929 -0.143 -0.480 104 HG22 VAL 11 1HG2 VAL 11 4.217 -0.766 -1.965 105 HG23 VAL 11 2HG2 VAL 11 4.513 -1.855 -0.616 106 H THR 12 H THR 12 2.617 0.981 3.050 107 HA THR 12 HA THR 12 -0.202 0.408 3.620 108 HB THR 12 HB THR 12 1.913 1.821 5.318 109 HG1 THR 12 HG1 THR 12 2.251 -0.483 4.849 110 HG21 THR 12 3HG2 THR 12 0.359 1.363 7.193 111 HG22 THR 12 1HG2 THR 12 -0.833 0.734 6.036 112 HG23 THR 12 2HG2 THR 12 -0.362 2.437 5.994 113 H GLN 13 H GLN 13 -1.440 1.733 2.414 114 HA GLN 13 HA GLN 13 -0.900 4.597 2.154 115 HB2 GLN 13 2HB GLN 13 -1.637 3.385 0.159 116 HB3 GLN 13 3HB GLN 13 -3.048 2.765 1.001 117 HG2 GLN 13 2HG GLN 13 -3.621 4.566 -0.566 118 HG3 GLN 13 3HG GLN 13 -4.012 5.001 1.101 119 HE21 GLN 13 1HE2 GLN 13 -2.918 6.708 2.070 120 HE22 GLN 13 2HE2 GLN 13 -1.858 7.759 1.200 121 H THR 14 H THR 14 -1.211 5.392 4.183 122 HA THR 14 HA THR 14 -3.663 4.882 5.694 123 HB THR 14 HB THR 14 -1.321 6.784 6.196 124 HG1 THR 14 HG1 THR 14 -1.886 4.277 7.445 125 HG21 THR 14 3HG2 THR 14 -2.115 6.909 8.519 126 HG22 THR 14 1HG2 THR 14 -3.520 5.912 8.103 127 HG23 THR 14 2HG2 THR 14 -3.339 7.523 7.408 128 H ILE 15 H ILE 15 -5.396 6.324 5.729 129 HA ILE 15 HA ILE 15 -5.150 8.840 4.226 130 HB ILE 15 HB ILE 15 -7.168 6.646 3.580 131 HG12 ILE 15 2HG1 ILE 15 -5.216 8.255 1.868 132 HG13 ILE 15 3HG1 ILE 15 -4.989 6.588 2.392 133 HG21 ILE 15 1HG2 ILE 15 -7.334 9.562 2.682 134 HG22 ILE 15 2HG2 ILE 15 -8.464 8.753 3.771 135 HG23 ILE 15 3HG2 ILE 15 -8.352 8.245 2.089 136 HD11 ILE 15 3HD1 ILE 15 -5.649 6.660 0.123 137 HD12 ILE 15 1HD1 ILE 15 -7.071 7.625 0.508 138 HD13 ILE 15 2HD1 ILE 15 -6.955 5.953 1.074 139 H HIS 16 H HIS 16 -6.130 10.478 5.031 140 HA HIS 16 HA HIS 16 -8.060 10.115 7.241 141 HB2 HIS 16 2HB HIS 16 -6.325 12.489 6.432 142 HB3 HIS 16 3HB HIS 16 -7.608 12.598 7.639 143 HD1 HIS 16 HD1 HIS 16 -5.258 13.324 8.986 144 HD2 HIS 16 HD2 HIS 16 -5.919 9.287 8.245 145 HE1 HIS 16 HE1 HIS 16 -3.758 12.080 10.571 146 HE2 HIS 16 HE2 HIS 16 -4.126 9.662 10.058 147 H TYR 17 H TYR 17 -10.142 10.313 6.694 148 HA TYR 17 HA TYR 17 -10.937 11.720 4.243 149 HB2 TYR 17 2HB TYR 17 -12.463 9.904 6.173 150 HB3 TYR 17 3HB TYR 17 -13.217 10.736 4.814 151 HD1 TYR 17 HD1 TYR 17 -12.543 10.170 2.489 152 HD2 TYR 17 HD2 TYR 17 -11.136 7.852 5.782 153 HE1 TYR 17 HE1 TYR 17 -11.851 8.410 0.945 154 HE2 TYR 17 HE2 TYR 17 -10.459 6.070 4.207 155 HH TYR 17 HH TYR 17 -10.300 6.562 0.846 156 H ARG 18 H ARG 18 -11.608 13.727 4.390 157 HA ARG 18 HA ARG 18 -12.556 14.892 6.926 158 HB2 ARG 18 2HB ARG 18 -9.874 15.012 6.420 159 HB3 ARG 18 3HB ARG 18 -10.380 16.379 5.455 160 HG2 ARG 18 2HG ARG 18 -9.755 17.283 7.546 161 HG3 ARG 18 3HG ARG 18 -11.520 17.281 7.556 162 HD2 ARG 18 2HD ARG 18 -11.548 15.248 8.907 163 HD3 ARG 18 3HD ARG 18 -9.781 15.142 8.845 164 HE ARG 18 HE ARG 18 -10.962 17.572 9.976 165 HH11 ARG 18 1HH1 ARG 18 -9.356 14.510 10.640 166 HH12 ARG 18 2HH1 ARG 18 -8.919 14.973 12.256 167 HH21 ARG 18 1HH2 ARG 18 -10.373 18.136 12.091 168 HH22 ARG 18 2HH2 ARG 18 -9.484 16.993 13.062 169 H TYR 19 H TYR 19 -13.580 16.991 6.553 170 HA TYR 19 HA TYR 19 -14.613 17.433 3.843 171 HB2 TYR 19 2HB TYR 19 -15.267 18.736 6.527 172 HB3 TYR 19 3HB TYR 19 -16.013 19.199 5.003 173 HD1 TYR 19 HD2 TYR 19 -15.589 16.234 7.283 174 HD2 TYR 19 HD1 TYR 19 -18.013 18.113 4.309 175 HE1 TYR 19 HE2 TYR 19 -17.361 14.586 7.683 176 HE2 TYR 19 HE1 TYR 19 -19.780 16.453 4.714 177 HH TYR 19 HH TYR 19 -20.100 14.284 5.631 178 H GLU 20 H GLU 20 -14.804 19.865 3.276 179 HA GLU 20 HA GLU 20 -12.225 20.875 2.729 180 HB2 GLU 20 2HB GLU 20 -13.464 22.865 1.793 181 HB3 GLU 20 3HB GLU 20 -14.010 21.308 1.183 182 HG2 GLU 20 2HG GLU 20 -15.981 21.366 2.579 183 HG3 GLU 20 3HG GLU 20 -15.419 22.825 3.400 184 H ASP 21 H ASP 21 -14.698 21.905 5.022 185 HA ASP 21 HA ASP 21 -13.268 24.128 6.131 186 HB2 ASP 21 2HB ASP 21 -15.099 24.169 7.804 187 HB3 ASP 21 3HB ASP 21 -15.720 24.030 6.167 188 H GLY 22 H GLY 22 -13.083 20.738 6.602 189 HA2 GLY 22 2HA GLY 22 -11.218 19.781 7.720 190 HA3 GLY 22 3HA GLY 22 -11.180 21.145 8.828 191 H ALA 23 H ALA 23 -14.358 19.903 8.288 192 HA ALA 23 HA ALA 23 -14.615 18.725 10.875 193 HB1 ALA 23 3HB ALA 23 -16.544 19.694 9.671 194 HB2 ALA 23 1HB ALA 23 -16.853 18.008 10.092 195 HB3 ALA 23 2HB ALA 23 -16.417 18.442 8.435 196 H VAL 24 H VAL 24 -14.790 16.513 11.431 197 HA VAL 24 HA VAL 24 -13.062 14.724 9.992 198 HB VAL 24 HB VAL 24 -14.829 14.198 12.434 199 HG11 VAL 24 1HG1 VAL 24 -14.233 12.105 11.318 200 HG12 VAL 24 2HG1 VAL 24 -13.344 12.245 12.835 201 HG13 VAL 24 3HG1 VAL 24 -12.527 12.564 11.302 202 HG21 VAL 24 3HG2 VAL 24 -13.172 15.988 12.852 203 HG22 VAL 24 1HG2 VAL 24 -11.867 14.918 12.333 204 HG23 VAL 24 2HG2 VAL 24 -12.793 14.541 13.789 205 H ALA 25 H ALA 25 -13.770 13.559 8.203 206 HA ALA 25 HA ALA 25 -16.516 12.489 8.133 207 HB1 ALA 25 3HB ALA 25 -15.915 11.607 5.908 208 HB2 ALA 25 1HB ALA 25 -14.248 12.143 6.135 209 HB3 ALA 25 2HB ALA 25 -15.546 13.328 6.025 210 H HIS 26 H HIS 26 -13.193 11.159 7.945 211 HA HIS 26 HA HIS 26 -13.501 9.220 9.972 212 HB2 HIS 26 2HB HIS 26 -14.961 8.171 8.128 213 HB3 HIS 26 3HB HIS 26 -13.506 8.010 7.156 214 HD1 HIS 26 HD1 HIS 26 -15.338 6.494 9.988 215 HD2 HIS 26 HD2 HIS 26 -11.687 6.006 8.081 216 HE1 HIS 26 HE1 HIS 26 -14.453 4.292 10.777 217 HE2 HIS 26 HE2 HIS 26 -12.135 4.177 9.840 218 H ASP 27 H ASP 27 -11.504 10.425 10.426 219 HA ASP 27 HA ASP 27 -9.396 10.362 8.400 220 HB2 ASP 27 2HB ASP 27 -8.313 12.116 9.648 221 HB3 ASP 27 3HB ASP 27 -10.022 12.505 9.542 222 H ASP 28 H ASP 28 -9.414 7.858 8.880 223 HA ASP 28 HA ASP 28 -7.248 7.074 10.545 224 HB2 ASP 28 2HB ASP 28 -8.526 5.848 12.301 225 HB3 ASP 28 3HB ASP 28 -8.856 7.575 12.368 226 H HIS 29 H HIS 29 -8.626 6.562 7.795 227 HA HIS 29 HA HIS 29 -8.941 3.619 8.031 228 HB2 HIS 29 2HB HIS 29 -10.838 5.026 7.005 229 HB3 HIS 29 3HB HIS 29 -9.796 5.239 5.607 230 HD1 HIS 29 HD1 HIS 29 -12.375 3.075 6.830 231 HD2 HIS 29 HD2 HIS 29 -8.933 2.501 4.569 232 HE1 HIS 29 HE1 HIS 29 -12.636 0.827 5.742 233 HE2 HIS 29 HE2 HIS 29 -10.525 0.472 4.443 234 H VAL 30 H VAL 30 -7.546 2.303 7.097 235 HA VAL 30 HA VAL 30 -5.388 3.337 5.333 236 HB VAL 30 HB VAL 30 -5.060 1.359 7.645 237 HG11 VAL 30 1HG1 VAL 30 -3.448 1.011 5.831 238 HG12 VAL 30 2HG1 VAL 30 -2.649 1.640 7.271 239 HG13 VAL 30 3HG1 VAL 30 -2.970 2.711 5.906 240 HG21 VAL 30 3HG2 VAL 30 -5.552 3.601 8.544 241 HG22 VAL 30 1HG2 VAL 30 -4.239 4.285 7.580 242 HG23 VAL 30 2HG2 VAL 30 -3.877 3.138 8.873 243 H VAL 31 H VAL 31 -5.092 2.101 3.546 244 HA VAL 31 HA VAL 31 -5.776 -0.790 3.578 245 HB VAL 31 HB VAL 31 -6.930 0.591 1.801 246 HG11 VAL 31 1HG1 VAL 31 -5.706 1.429 -0.153 247 HG12 VAL 31 2HG1 VAL 31 -4.171 0.974 0.590 248 HG13 VAL 31 3HG1 VAL 31 -5.166 2.236 1.322 249 HG21 VAL 31 3HG2 VAL 31 -6.517 -0.974 -0.055 250 HG22 VAL 31 1HG2 VAL 31 -6.622 -1.817 1.492 251 HG23 VAL 31 2HG2 VAL 31 -5.048 -1.539 0.743 252 H SER 32 H SER 32 -4.135 -2.208 2.665 253 HA SER 32 HA SER 32 -1.438 -1.182 2.220 254 HB2 SER 32 2HB SER 32 -0.506 -2.833 3.898 255 HB3 SER 32 3HB SER 32 -1.446 -1.536 4.634 256 HG SER 32 HG SER 32 -3.187 -3.413 4.155 257 H LEU 33 H LEU 33 -0.216 -2.515 0.890 258 HA LEU 33 HA LEU 33 -1.447 -5.010 -0.137 259 HB2 LEU 33 2HB LEU 33 0.597 -3.105 -1.343 260 HB3 LEU 33 3HB LEU 33 0.266 -4.691 -2.020 261 HG LEU 33 HG LEU 33 -1.712 -2.394 -1.826 262 HD11 LEU 33 1HD1 LEU 33 -0.006 -2.021 -3.536 263 HD12 LEU 33 2HD1 LEU 33 -1.557 -2.370 -4.293 264 HD13 LEU 33 3HD1 LEU 33 -0.308 -3.617 -4.226 265 HD21 LEU 33 3HD2 LEU 33 -3.240 -3.840 -3.113 266 HD22 LEU 33 1HD2 LEU 33 -2.856 -4.539 -1.540 267 HD23 LEU 33 2HD2 LEU 33 -2.086 -5.172 -2.996 268 H ILE 34 H ILE 34 -0.464 -6.883 0.392 269 HA ILE 34 HA ILE 34 1.994 -6.792 2.012 270 HB ILE 34 HB ILE 34 -0.090 -9.000 1.645 271 HG12 ILE 34 2HG1 ILE 34 -0.483 -8.612 4.156 272 HG13 ILE 34 3HG1 ILE 34 0.499 -7.164 4.020 273 HG21 ILE 34 1HG2 ILE 34 2.111 -10.033 1.960 274 HG22 ILE 34 2HG2 ILE 34 1.129 -10.269 3.404 275 HG23 ILE 34 3HG2 ILE 34 2.401 -9.048 3.398 276 HD11 ILE 34 3HD1 ILE 34 -1.873 -6.658 4.027 277 HD12 ILE 34 1HD1 ILE 34 -2.118 -7.667 2.601 278 HD13 ILE 34 2HD1 ILE 34 -1.146 -6.199 2.489 279 H PHE 35 H PHE 35 3.728 -6.876 0.685 280 HA PHE 35 HA PHE 35 3.781 -8.533 -1.733 281 HB2 PHE 35 2HB PHE 35 5.710 -6.397 -0.710 282 HB3 PHE 35 3HB PHE 35 5.950 -7.325 -2.189 283 HD1 PHE 35 HD1 PHE 35 3.960 -4.655 -0.594 284 HD2 PHE 35 HD2 PHE 35 4.575 -6.928 -4.154 285 HE1 PHE 35 HE1 PHE 35 2.621 -3.043 -1.880 286 HE2 PHE 35 HE2 PHE 35 3.237 -5.316 -5.423 287 HZ PHE 35 HZ PHE 35 2.257 -3.375 -4.287 288 H THR 36 H THR 36 4.151 -10.529 -1.153 289 HA THR 36 HA THR 36 6.087 -11.353 0.848 290 HB THR 36 HB THR 36 4.533 -13.129 -1.089 291 HG1 THR 36 HG1 THR 36 3.612 -11.695 1.162 292 HG21 THR 36 3HG2 THR 36 5.477 -13.583 1.758 293 HG22 THR 36 1HG2 THR 36 6.237 -14.243 0.310 294 HG23 THR 36 2HG2 THR 36 4.604 -14.748 0.760 295 H GLN 37 H GLN 37 8.161 -10.875 0.084 296 HA GLN 37 HA GLN 37 9.020 -11.785 -2.549 297 HB2 GLN 37 2HB GLN 37 10.127 -9.812 -1.596 298 HB3 GLN 37 3HB GLN 37 10.655 -10.739 -0.193 299 HG2 GLN 37 2HG GLN 37 12.058 -12.153 -1.618 300 HG3 GLN 37 3HG GLN 37 11.505 -11.308 -3.061 301 HE21 GLN 37 1HE2 GLN 37 14.219 -11.663 -2.082 302 HE22 GLN 37 2HE2 GLN 37 14.865 -10.074 -1.878 303 H SER 38 H SER 38 8.844 -13.933 -2.719 304 HA SER 38 HA SER 38 9.519 -15.791 -0.654 305 HB2 SER 38 2HB SER 38 9.172 -17.499 -2.450 306 HB3 SER 38 3HB SER 38 7.817 -16.388 -2.276 307 HG SER 38 HG SER 38 9.875 -16.175 -4.238 308 H GLY 39 H GLY 39 11.241 -17.171 -0.581 309 HA2 GLY 39 2HA GLY 39 13.559 -16.853 -2.370 310 HA3 GLY 39 3HA GLY 39 13.788 -16.410 -0.673 311 H LYS 40 H LYS 40 15.446 -18.302 -1.175 312 HA LYS 40 HA LYS 40 14.188 -20.797 -0.235 313 HB2 LYS 40 2HB LYS 40 15.285 -22.165 -1.886 314 HB3 LYS 40 3HB LYS 40 14.404 -20.905 -2.722 315 HG2 LYS 40 2HG LYS 40 16.320 -20.818 -3.956 316 HG3 LYS 40 3HG LYS 40 16.832 -19.719 -2.672 317 HD2 LYS 40 2HD LYS 40 18.034 -21.534 -1.554 318 HD3 LYS 40 3HD LYS 40 17.411 -22.708 -2.716 319 HE2 LYS 40 2HE LYS 40 18.653 -21.522 -4.520 320 HE3 LYS 40 3HE LYS 40 19.325 -20.432 -3.304 321 HZ1 LYS 40 3HZ LYS 40 20.747 -22.355 -3.962 322 HZ2 LYS 40 1HZ LYS 40 19.658 -23.370 -3.181 323 HZ3 LYS 40 2HZ LYS 40 20.496 -22.196 -2.308 324 H ARG 41 H ARG 41 15.398 -21.999 1.169 325 HA ARG 41 HA ARG 41 17.988 -20.828 2.037 326 HB2 ARG 41 2HB ARG 41 16.050 -20.601 3.671 327 HB3 ARG 41 3HB ARG 41 16.013 -22.355 3.794 328 HG2 ARG 41 2HG ARG 41 18.481 -22.195 4.514 329 HG3 ARG 41 3HG ARG 41 18.204 -20.462 4.691 330 HD2 ARG 41 2HD ARG 41 16.827 -22.701 6.196 331 HD3 ARG 41 3HD ARG 41 17.966 -21.533 6.852 332 HE ARG 41 HE ARG 41 15.191 -20.975 6.005 333 HH11 ARG 41 2HH1 ARG 41 18.001 -20.060 7.922 334 HH12 ARG 41 1HH1 ARG 41 17.153 -18.776 8.730 335 HH21 ARG 41 2HH2 ARG 41 14.124 -19.295 7.056 336 HH22 ARG 41 1HH2 ARG 41 14.963 -18.348 8.238 337 H ASP 42 H ASP 42 19.643 -22.122 1.619 338 HA ASP 42 HA ASP 42 19.498 -24.993 1.287 339 HB2 ASP 42 2HB ASP 42 21.885 -23.145 1.737 340 HB3 ASP 42 3HB ASP 42 21.999 -24.809 1.219 341 H LEU 43 H LEU 43 19.103 -26.264 3.087 342 HA LEU 43 HA LEU 43 19.607 -25.308 5.787 343 HB2 LEU 43 2HB LEU 43 18.648 -28.017 4.776 344 HB3 LEU 43 3HB LEU 43 18.728 -27.567 6.476 345 HG LEU 43 HG LEU 43 16.953 -26.281 4.362 346 HD11 LEU 43 1HD1 LEU 43 16.145 -28.465 5.112 347 HD12 LEU 43 2HD1 LEU 43 15.091 -27.178 5.687 348 HD13 LEU 43 3HD1 LEU 43 16.234 -27.945 6.796 349 HD21 LEU 43 3HD2 LEU 43 17.708 -24.557 5.900 350 HD22 LEU 43 1HD2 LEU 43 17.267 -25.551 7.291 351 HD23 LEU 43 2HD2 LEU 43 16.018 -24.929 6.212 352 H THR 44 H THR 44 21.582 -26.821 3.535 353 HA THR 44 HA THR 44 23.206 -28.430 5.244 354 HB THR 44 HB THR 44 23.189 -29.037 2.934 355 HG1 THR 44 HG1 THR 44 25.196 -29.440 3.679 356 HG21 THR 44 3HG2 THR 44 22.554 -26.902 1.897 357 HG22 THR 44 1HG2 THR 44 23.960 -27.595 1.081 358 HG23 THR 44 2HG2 THR 44 24.169 -26.253 2.207 359 H ASN 45 H ASN 45 23.776 -25.245 3.691 360 HA ASN 45 HA ASN 45 25.978 -24.638 5.534 361 HB2 ASN 45 2HB ASN 45 26.168 -24.284 3.050 362 HB3 ASN 45 3HB ASN 45 24.928 -23.046 3.155 363 HD21 ASN 45 1HD2 ASN 45 25.470 -21.041 4.144 364 HD22 ASN 45 2HD2 ASN 45 27.108 -20.562 4.391 365 H GLY 46 H GLY 46 22.622 -23.990 5.208 366 HA2 GLY 46 2HA GLY 46 21.154 -22.745 6.475 367 HA3 GLY 46 3HA GLY 46 22.498 -22.216 7.477 368 H LYS 47 H LYS 47 22.438 -21.827 3.996 369 HA LYS 47 HA LYS 47 22.691 -18.915 4.288 370 HB2 LYS 47 2HB LYS 47 23.512 -19.044 1.875 371 HB3 LYS 47 3HB LYS 47 24.514 -19.858 3.066 372 HG2 LYS 47 2HG LYS 47 23.395 -22.008 2.398 373 HG3 LYS 47 3HG LYS 47 22.647 -21.127 1.067 374 HD2 LYS 47 2HD LYS 47 25.664 -21.180 1.467 375 HD3 LYS 47 3HD LYS 47 24.834 -22.451 0.577 376 HE2 LYS 47 2HE LYS 47 24.624 -19.520 -0.169 377 HE3 LYS 47 3HE LYS 47 25.849 -20.603 -0.829 378 HZ1 LYS 47 3HZ LYS 47 23.823 -20.342 -2.216 379 HZ2 LYS 47 1HZ LYS 47 22.945 -21.153 -1.017 380 HZ3 LYS 47 2HZ LYS 47 24.206 -21.937 -1.820 381 H GLU 48 H GLU 48 21.143 -17.538 3.647 382 HA GLU 48 HA GLU 48 18.673 -18.575 2.417 383 HB2 GLU 48 2HB GLU 48 19.303 -16.118 4.077 384 HB3 GLU 48 3HB GLU 48 17.725 -16.403 3.339 385 HG2 GLU 48 2HG GLU 48 17.527 -18.498 4.671 386 HG3 GLU 48 3HG GLU 48 19.079 -18.128 5.417 387 H ILE 49 H ILE 49 18.619 -18.274 0.316 388 HA ILE 49 HA ILE 49 20.020 -16.026 -0.972 389 HB ILE 49 HB ILE 49 18.986 -18.668 -2.110 390 HG12 ILE 49 2HG1 ILE 49 21.376 -18.959 -2.824 391 HG13 ILE 49 3HG1 ILE 49 21.783 -17.427 -2.066 392 HG21 ILE 49 1HG2 ILE 49 20.068 -16.305 -3.701 393 HG22 ILE 49 2HG2 ILE 49 18.420 -16.931 -3.753 394 HG23 ILE 49 3HG2 ILE 49 19.752 -17.914 -4.353 395 HD11 ILE 49 3HD1 ILE 49 22.468 -19.337 -0.734 396 HD12 ILE 49 1HD1 ILE 49 20.797 -19.882 -0.628 397 HD13 ILE 49 2HD1 ILE 49 21.281 -18.356 0.117 398 H TRP 50 H TRP 50 18.728 -14.280 -0.981 399 HA TRP 50 HA TRP 50 15.920 -14.456 -1.836 400 HB2 TRP 50 2HB TRP 50 17.524 -12.077 -0.763 401 HB3 TRP 50 3HB TRP 50 15.780 -12.137 -1.033 402 HD1 TRP 50 HD1 TRP 50 18.422 -13.044 1.555 403 HE1 TRP 50 HE1 TRP 50 17.278 -14.084 3.616 404 HE3 TRP 50 HE3 TRP 50 13.744 -13.611 -0.377 405 HZ2 TRP 50 HZ2 TRP 50 14.668 -14.991 4.334 406 HZ3 TRP 50 HZ3 TRP 50 11.979 -14.567 1.031 407 HH2 TRP 50 HH2 TRP 50 12.413 -15.246 3.325 408 H ASP 51 H ASP 51 15.579 -14.161 -3.974 409 HA ASP 51 HA ASP 51 17.780 -13.591 -5.714 410 HB2 ASP 51 2HB ASP 51 15.896 -15.158 -6.297 411 HB3 ASP 51 3HB ASP 51 14.826 -13.770 -6.468 412 H SER 52 H SER 52 18.481 -11.704 -6.280 413 HA SER 52 HA SER 52 17.473 -9.214 -5.482 414 HB2 SER 52 2HB SER 52 19.874 -9.736 -5.891 415 HB3 SER 52 3HB SER 52 19.557 -9.830 -7.623 416 HG SER 52 HG SER 52 18.589 -7.524 -6.741 417 H LYS 53 H LYS 53 17.141 -10.991 -8.539 418 HA LYS 53 HA LYS 53 16.026 -8.756 -10.015 419 HB2 LYS 53 2HB LYS 53 16.114 -11.706 -10.781 420 HB3 LYS 53 3HB LYS 53 15.623 -10.391 -11.843 421 HG2 LYS 53 2HG LYS 53 17.803 -10.723 -12.537 422 HG3 LYS 53 3HG LYS 53 18.033 -9.447 -11.351 423 HD2 LYS 53 2HD LYS 53 19.757 -11.112 -11.016 424 HD3 LYS 53 3HD LYS 53 18.638 -11.201 -9.653 425 HE2 LYS 53 2HE LYS 53 17.503 -13.140 -10.805 426 HE3 LYS 53 3HE LYS 53 18.771 -13.093 -12.034 427 HZ1 LYS 53 3HZ LYS 53 19.239 -14.740 -10.337 428 HZ2 LYS 53 1HZ LYS 53 19.183 -13.564 -9.127 429 HZ3 LYS 53 2HZ LYS 53 20.406 -13.523 -10.293 430 H TRP 54 H TRP 54 14.803 -10.850 -7.679 431 HA TRP 54 HA TRP 54 12.147 -11.239 -8.676 432 HB2 TRP 54 2HB TRP 54 13.178 -12.711 -6.917 433 HB3 TRP 54 3HB TRP 54 13.118 -11.369 -5.777 434 HD1 TRP 54 HD1 TRP 54 10.635 -10.688 -4.814 435 HE1 TRP 54 HE1 TRP 54 8.428 -11.999 -4.717 436 HE3 TRP 54 HE3 TRP 54 11.745 -14.436 -8.134 437 HZ2 TRP 54 HZ2 TRP 54 7.308 -14.295 -5.869 438 HZ3 TRP 54 HZ3 TRP 54 10.041 -16.154 -8.576 439 HH2 TRP 54 HH2 TRP 54 7.863 -16.087 -7.466 440 H SER 55 H SER 55 10.580 -9.846 -8.737 441 HA SER 55 HA SER 55 10.248 -7.729 -6.718 442 HB2 SER 55 2HB SER 55 9.438 -6.184 -8.532 443 HB3 SER 55 3HB SER 55 11.143 -6.571 -8.669 444 HG SER 55 HG SER 55 9.155 -7.974 -10.108 445 H LEU 56 H LEU 56 8.021 -7.129 -6.467 446 HA LEU 56 HA LEU 56 6.027 -9.008 -7.603 447 HB2 LEU 56 2HB LEU 56 6.901 -9.311 -5.058 448 HB3 LEU 56 3HB LEU 56 5.751 -8.034 -4.741 449 HG LEU 56 HG LEU 56 4.804 -10.277 -4.290 450 HD11 LEU 56 1HD1 LEU 56 3.227 -8.516 -4.945 451 HD12 LEU 56 2HD1 LEU 56 2.679 -10.093 -5.503 452 HD13 LEU 56 3HD1 LEU 56 3.403 -8.958 -6.646 453 HD21 LEU 56 3HD2 LEU 56 5.196 -10.833 -7.256 454 HD22 LEU 56 1HD2 LEU 56 4.373 -11.892 -6.104 455 HD23 LEU 56 2HD2 LEU 56 6.097 -11.572 -5.932 456 H THR 57 H THR 57 4.419 -7.882 -8.604 457 HA THR 57 HA THR 57 3.991 -5.022 -7.940 458 HB THR 57 HB THR 57 3.504 -6.386 -10.637 459 HG1 THR 57 HG1 THR 57 5.753 -6.081 -9.940 460 HG21 THR 57 3HG2 THR 57 2.026 -4.421 -10.265 461 HG22 THR 57 1HG2 THR 57 3.230 -4.086 -11.508 462 HG23 THR 57 2HG2 THR 57 3.437 -3.426 -9.884 463 H GLN 58 H GLN 58 2.066 -4.627 -7.033 464 HA GLN 58 HA GLN 58 -0.281 -6.331 -7.707 465 HB2 GLN 58 2HB GLN 58 0.365 -5.034 -5.025 466 HB3 GLN 58 3HB GLN 58 -1.159 -5.829 -5.409 467 HG2 GLN 58 2HG GLN 58 -0.043 -7.973 -5.638 468 HG3 GLN 58 3HG GLN 58 1.534 -7.205 -5.445 469 HE21 GLN 58 1HE2 GLN 58 2.083 -8.427 -3.673 470 HE22 GLN 58 2HE2 GLN 58 1.353 -8.227 -2.134 471 H THR 59 H THR 59 -2.215 -5.270 -7.973 472 HA THR 59 HA THR 59 -2.100 -2.705 -9.176 473 HB THR 59 HB THR 59 -4.539 -4.388 -8.455 474 HG1 THR 59 HG1 THR 59 -3.628 -5.701 -9.853 475 HG21 THR 59 3HG2 THR 59 -5.663 -3.227 -10.301 476 HG22 THR 59 1HG2 THR 59 -4.217 -2.255 -10.595 477 HG23 THR 59 2HG2 THR 59 -5.125 -2.057 -9.092 478 H PHE 60 H PHE 60 -2.419 -0.761 -8.282 479 HA PHE 60 HA PHE 60 -3.662 -0.524 -5.587 480 HB2 PHE 60 2HB PHE 60 -1.041 0.003 -6.125 481 HB3 PHE 60 3HB PHE 60 -1.719 1.566 -6.530 482 HD1 PHE 60 HD1 PHE 60 -2.783 -0.721 -3.756 483 HD2 PHE 60 HD2 PHE 60 -0.759 2.892 -4.799 484 HE1 PHE 60 HE1 PHE 60 -2.437 -0.217 -1.374 485 HE2 PHE 60 HE2 PHE 60 -0.427 3.385 -2.419 486 HZ PHE 60 HZ PHE 60 -1.220 1.816 -0.709 487 H GLU 61 H GLU 61 -5.625 0.234 -5.953 488 HA GLU 61 HA GLU 61 -6.210 2.813 -6.803 489 HB2 GLU 61 2HB GLU 61 -7.727 2.149 -8.828 490 HB3 GLU 61 3HB GLU 61 -6.001 2.350 -9.100 491 HG2 GLU 61 2HG GLU 61 -6.864 0.427 -10.319 492 HG3 GLU 61 3HG GLU 61 -5.676 -0.055 -9.124 493 H ALA 62 H ALA 62 -8.863 2.722 -7.386 494 HA ALA 62 HA ALA 62 -10.896 2.626 -6.427 495 HB1 ALA 62 3HB ALA 62 -10.220 -0.322 -6.087 496 HB2 ALA 62 1HB ALA 62 -10.849 0.434 -7.554 497 HB3 ALA 62 2HB ALA 62 -11.836 0.390 -6.093 498 H LEU 63 H LEU 63 -10.568 3.950 -4.648 499 HA LEU 63 HA LEU 63 -9.855 2.760 -2.066 500 HB2 LEU 63 2HB LEU 63 -9.235 5.269 -3.328 501 HB3 LEU 63 3HB LEU 63 -10.215 5.647 -1.931 502 HG LEU 63 HG LEU 63 -7.832 5.747 -1.361 503 HD11 LEU 63 1HD1 LEU 63 -9.388 5.047 0.388 504 HD12 LEU 63 2HD1 LEU 63 -7.823 4.276 0.604 505 HD13 LEU 63 3HD1 LEU 63 -9.175 3.356 -0.062 506 HD21 LEU 63 3HD2 LEU 63 -6.960 4.157 -3.041 507 HD22 LEU 63 1HD2 LEU 63 -7.679 2.809 -2.157 508 HD23 LEU 63 2HD2 LEU 63 -6.376 3.754 -1.429 509 HA PRO 64 HA PRO 64 -14.381 2.693 -1.196 510 HB2 PRO 64 2HB PRO 64 -13.376 1.748 1.484 511 HB3 PRO 64 3HB PRO 64 -14.546 0.987 0.383 512 HG2 PRO 64 2HG PRO 64 -12.083 -0.006 0.666 513 HG3 PRO 64 3HG PRO 64 -12.902 -0.007 -0.915 514 HD2 PRO 64 2HD PRO 64 -10.750 1.850 0.088 515 HD3 PRO 64 3HD PRO 64 -10.947 1.108 -1.509 516 H SER 65 H SER 65 -14.325 5.044 -1.268 517 HA SER 65 HA SER 65 -13.784 6.518 1.210 518 HB2 SER 65 2HB SER 65 -14.124 8.519 -0.375 519 HB3 SER 65 3HB SER 65 -12.748 7.470 -0.719 520 HG SER 65 HG SER 65 -13.653 6.836 -2.530 521 HA PRO 66 HA PRO 66 -18.137 6.869 2.606 522 HB2 PRO 66 2HB PRO 66 -17.134 9.702 3.093 523 HB3 PRO 66 3HB PRO 66 -18.119 8.660 4.148 524 HG2 PRO 66 2HG PRO 66 -15.516 8.949 4.602 525 HG3 PRO 66 3HG PRO 66 -16.307 7.367 4.809 526 HD2 PRO 66 2HD PRO 66 -14.458 8.275 2.650 527 HD3 PRO 66 3HD PRO 66 -14.738 6.640 3.283 528 H VAL 67 H VAL 67 -19.846 7.123 1.217 529 HA VAL 67 HA VAL 67 -19.863 9.222 -0.833 530 HB VAL 67 HB VAL 67 -22.038 7.171 -0.155 531 HG11 VAL 67 1HG1 VAL 67 -22.968 9.182 -1.257 532 HG12 VAL 67 2HG1 VAL 67 -23.042 7.788 -2.333 533 HG13 VAL 67 3HG1 VAL 67 -21.801 9.019 -2.573 534 HG21 VAL 67 3HG2 VAL 67 -19.965 7.137 -2.390 535 HG22 VAL 67 1HG2 VAL 67 -21.263 5.956 -2.171 536 HG23 VAL 67 2HG2 VAL 67 -19.977 6.089 -0.971 537 H ILE 68 H ILE 68 -20.298 11.218 -0.102 538 HA ILE 68 HA ILE 68 -22.243 11.620 2.098 539 HB ILE 68 HB ILE 68 -19.972 13.458 1.184 540 HG12 ILE 68 2HG1 ILE 68 -20.169 11.643 3.641 541 HG13 ILE 68 3HG1 ILE 68 -19.071 11.434 2.282 542 HG21 ILE 68 1HG2 ILE 68 -21.864 13.704 3.557 543 HG22 ILE 68 2HG2 ILE 68 -21.846 14.734 2.123 544 HG23 ILE 68 3HG2 ILE 68 -20.484 14.757 3.239 545 HD11 ILE 68 3HD1 ILE 68 -17.930 13.509 2.902 546 HD12 ILE 68 1HD1 ILE 68 -17.921 12.318 4.203 547 HD13 ILE 68 2HD1 ILE 68 -19.025 13.692 4.273 548 H ILE 69 H ILE 69 -24.045 12.826 1.681 549 HA ILE 69 HA ILE 69 -24.674 13.548 -1.046 550 HB ILE 69 HB ILE 69 -26.299 13.955 1.515 551 HG12 ILE 69 2HG1 ILE 69 -25.901 11.556 1.164 552 HG13 ILE 69 3HG1 ILE 69 -27.580 11.919 0.796 553 HG21 ILE 69 1HG2 ILE 69 -27.191 14.101 -1.390 554 HG22 ILE 69 2HG2 ILE 69 -27.069 15.455 -0.265 555 HG23 ILE 69 3HG2 ILE 69 -28.261 14.184 0.012 556 HD11 ILE 69 3HD1 ILE 69 -25.368 11.407 -1.198 557 HD12 ILE 69 1HD1 ILE 69 -27.016 11.869 -1.624 558 HD13 ILE 69 2HD1 ILE 69 -26.713 10.340 -0.804 559 H GLY 70 H GLY 70 -24.354 15.491 -1.916 560 HA2 GLY 70 2HA GLY 70 -24.212 17.784 -2.142 561 HA3 GLY 70 3HA GLY 70 -24.415 17.969 -0.407 562 H TYR 71 H TYR 71 -21.974 15.708 -0.950 563 HA TYR 71 HA TYR 71 -19.826 17.721 -1.181 564 HB2 TYR 71 2HB TYR 71 -19.968 15.584 0.998 565 HB3 TYR 71 3HB TYR 71 -18.519 16.505 0.620 566 HD1 TYR 71 HD1 TYR 71 -22.016 16.815 1.889 567 HD2 TYR 71 HD2 TYR 71 -18.202 18.702 1.514 568 HE1 TYR 71 HE1 TYR 71 -22.738 18.576 3.425 569 HE2 TYR 71 HE2 TYR 71 -18.938 20.466 3.049 570 HH TYR 71 HH TYR 71 -20.892 21.457 3.926 571 H THR 72 H THR 72 -17.866 16.899 -1.973 572 HA THR 72 HA THR 72 -17.836 14.173 -3.077 573 HB THR 72 HB THR 72 -17.352 16.720 -4.720 574 HG1 THR 72 HG1 THR 72 -19.290 14.640 -5.018 575 HG21 THR 72 3HG2 THR 72 -17.076 13.815 -5.603 576 HG22 THR 72 1HG2 THR 72 -15.737 14.938 -5.360 577 HG23 THR 72 2HG2 THR 72 -16.917 15.235 -6.638 578 H ALA 73 H ALA 73 -15.867 13.282 -2.703 579 HA ALA 73 HA ALA 73 -13.751 14.634 -1.388 580 HB1 ALA 73 3HB ALA 73 -12.474 12.554 -1.716 581 HB2 ALA 73 1HB ALA 73 -13.711 11.960 -2.828 582 HB3 ALA 73 2HB ALA 73 -14.100 12.221 -1.127 583 H ASP 74 H ASP 74 -11.779 15.344 -2.161 584 HA ASP 74 HA ASP 74 -11.686 16.432 -4.807 585 HB2 ASP 74 2HB ASP 74 -10.628 17.517 -2.794 586 HB3 ASP 74 3HB ASP 74 -9.445 16.216 -2.730 587 H LYS 75 H LYS 75 -10.366 13.647 -3.170 588 HA LYS 75 HA LYS 75 -9.979 12.305 -5.725 589 HB2 LYS 75 2HB LYS 75 -7.878 11.187 -4.926 590 HB3 LYS 75 3HB LYS 75 -7.691 12.904 -5.216 591 HG2 LYS 75 2HG LYS 75 -8.143 11.801 -2.426 592 HG3 LYS 75 3HG LYS 75 -6.537 11.890 -3.137 593 HD2 LYS 75 2HD LYS 75 -8.386 14.265 -2.664 594 HD3 LYS 75 3HD LYS 75 -7.028 13.808 -1.632 595 HE2 LYS 75 2HE LYS 75 -6.823 14.638 -4.542 596 HE3 LYS 75 3HE LYS 75 -6.440 15.657 -3.159 597 HZ1 LYS 75 3HZ LYS 75 -4.488 14.641 -4.206 598 HZ2 LYS 75 1HZ LYS 75 -5.063 13.111 -3.792 599 HZ3 LYS 75 2HZ LYS 75 -4.648 14.212 -2.587 600 HA PRO 76 HA PRO 76 -12.446 9.462 -3.037 601 HB2 PRO 76 2HB PRO 76 -13.858 8.338 -5.076 602 HB3 PRO 76 3HB PRO 76 -14.306 9.917 -4.397 603 HG2 PRO 76 2HG PRO 76 -12.677 9.329 -6.862 604 HG3 PRO 76 3HG PRO 76 -14.058 10.439 -6.678 605 HD2 PRO 76 2HD PRO 76 -11.521 11.346 -6.616 606 HD3 PRO 76 3HD PRO 76 -12.779 12.058 -5.576 607 H MET 77 H MET 77 -10.034 9.160 -5.418 608 HA MET 77 HA MET 77 -9.465 6.373 -4.648 609 HB2 MET 77 2HB MET 77 -10.550 6.420 -6.920 610 HB3 MET 77 3HB MET 77 -9.247 7.451 -7.493 611 HG2 MET 77 2HG MET 77 -7.631 5.647 -7.004 612 HG3 MET 77 3HG MET 77 -8.961 4.613 -6.483 613 HE1 MET 77 3HE MET 77 -11.095 4.136 -8.237 614 HE2 MET 77 1HE MET 77 -10.963 4.432 -9.971 615 HE3 MET 77 2HE MET 77 -11.107 5.789 -8.858 616 H VAL 78 H VAL 78 -7.476 6.319 -3.799 617 HA VAL 78 HA VAL 78 -5.484 8.402 -4.494 618 HB VAL 78 HB VAL 78 -5.920 7.023 -1.796 619 HG11 VAL 78 1HG1 VAL 78 -3.889 9.157 -2.560 620 HG12 VAL 78 2HG1 VAL 78 -3.535 7.481 -2.136 621 HG13 VAL 78 3HG1 VAL 78 -4.193 8.576 -0.921 622 HG21 VAL 78 3HG2 VAL 78 -6.616 9.242 -0.982 623 HG22 VAL 78 1HG2 VAL 78 -7.658 8.697 -2.299 624 HG23 VAL 78 2HG2 VAL 78 -6.414 9.910 -2.603 625 H GLY 79 H GLY 79 -3.351 7.756 -4.718 626 HA2 GLY 79 2HA GLY 79 -1.692 6.442 -5.554 627 HA3 GLY 79 3HA GLY 79 -2.224 5.228 -4.399 628 HA PRO 80 HA PRO 80 -4.644 4.007 -8.321 629 HB2 PRO 80 2HB PRO 80 -5.193 5.701 -10.334 630 HB3 PRO 80 3HB PRO 80 -5.991 5.906 -8.762 631 HG2 PRO 80 2HG PRO 80 -3.703 7.448 -9.921 632 HG3 PRO 80 3HG PRO 80 -5.090 8.026 -8.973 633 HD2 PRO 80 2HD PRO 80 -2.539 7.479 -7.929 634 HD3 PRO 80 3HD PRO 80 -4.034 7.636 -6.980 635 H ASP 81 H ASP 81 -2.107 3.380 -8.121 636 HA ASP 81 HA ASP 81 -1.058 3.043 -10.798 637 HB2 ASP 81 2HB ASP 81 -0.144 5.266 -10.164 638 HB3 ASP 81 3HB ASP 81 0.553 4.573 -8.705 639 H GLU 82 H GLU 82 -0.543 1.058 -10.840 640 HA GLU 82 HA GLU 82 -0.358 -0.880 -8.911 641 HB2 GLU 82 2HB GLU 82 1.012 -0.778 -11.630 642 HB3 GLU 82 3HB GLU 82 1.088 -2.210 -10.605 643 HG2 GLU 82 2HG GLU 82 -0.632 -2.438 -12.332 644 HG3 GLU 82 3HG GLU 82 -1.320 -2.480 -10.722 645 H VAL 83 H VAL 83 0.999 -1.365 -7.330 646 HA VAL 83 HA VAL 83 3.518 0.109 -7.054 647 HB VAL 83 HB VAL 83 2.100 -1.731 -5.064 648 HG11 VAL 83 1HG1 VAL 83 4.522 -1.640 -4.648 649 HG12 VAL 83 2HG1 VAL 83 3.650 -0.762 -3.397 650 HG13 VAL 83 3HG1 VAL 83 4.487 0.125 -4.672 651 HG21 VAL 83 3HG2 VAL 83 2.220 1.309 -5.174 652 HG22 VAL 83 1HG2 VAL 83 1.455 0.346 -3.903 653 HG23 VAL 83 2HG2 VAL 83 0.813 0.314 -5.545 654 H THR 84 H THR 84 5.365 -0.792 -7.762 655 HA THR 84 HA THR 84 5.740 -3.721 -7.660 656 HB THR 84 HB THR 84 7.520 -1.633 -9.021 657 HG1 THR 84 HG1 THR 84 5.748 -3.395 -10.371 658 HG21 THR 84 3HG2 THR 84 8.663 -3.768 -8.501 659 HG22 THR 84 1HG2 THR 84 8.439 -3.573 -10.234 660 HG23 THR 84 2HG2 THR 84 7.382 -4.663 -9.330 661 H VAL 85 H VAL 85 6.537 -4.284 -5.658 662 HA VAL 85 HA VAL 85 8.792 -2.766 -4.494 663 HB VAL 85 HB VAL 85 7.188 -5.097 -3.303 664 HG11 VAL 85 1HG1 VAL 85 9.447 -3.465 -2.060 665 HG12 VAL 85 2HG1 VAL 85 9.528 -5.164 -2.523 666 HG13 VAL 85 3HG1 VAL 85 8.465 -4.665 -1.209 667 HG21 VAL 85 3HG2 VAL 85 6.307 -3.404 -1.729 668 HG22 VAL 85 1HG2 VAL 85 5.932 -2.960 -3.395 669 HG23 VAL 85 2HG2 VAL 85 7.242 -2.145 -2.540 670 H ASP 86 H ASP 86 10.653 -3.310 -5.485 671 HA ASP 86 HA ASP 86 11.267 -6.113 -6.208 672 HB2 ASP 86 2HB ASP 86 11.735 -4.151 -7.783 673 HB3 ASP 86 3HB ASP 86 12.928 -3.584 -6.631 674 H SER 87 H SER 87 13.466 -6.885 -5.497 675 HA SER 87 HA SER 87 13.896 -6.823 -2.733 676 HB2 SER 87 2HB SER 87 15.916 -7.476 -4.921 677 HB3 SER 87 3HB SER 87 16.026 -7.970 -3.225 678 HG SER 87 HG SER 87 14.339 -8.903 -5.252 679 H LYS 88 H LYS 88 15.197 -4.768 -5.275 680 HA LYS 88 HA LYS 88 17.320 -3.526 -3.846 681 HB2 LYS 88 2HB LYS 88 17.408 -1.919 -5.678 682 HB3 LYS 88 3HB LYS 88 17.178 -3.534 -6.321 683 HG2 LYS 88 2HG LYS 88 14.709 -3.003 -6.548 684 HG3 LYS 88 3HG LYS 88 15.090 -1.339 -6.106 685 HD2 LYS 88 2HD LYS 88 16.123 -2.840 -8.543 686 HD3 LYS 88 3HD LYS 88 14.902 -1.569 -8.545 687 HE2 LYS 88 2HE LYS 88 16.604 0.049 -7.743 688 HE3 LYS 88 3HE LYS 88 17.818 -1.231 -7.764 689 HZ1 LYS 88 3HZ LYS 88 17.930 0.145 -9.745 690 HZ2 LYS 88 1HZ LYS 88 16.333 -0.238 -10.135 691 HZ3 LYS 88 2HZ LYS 88 17.517 -1.438 -10.147 692 H ASN 89 H ASN 89 13.899 -2.734 -4.214 693 HA ASN 89 HA ASN 89 14.167 -0.449 -2.343 694 HB2 ASN 89 2HB ASN 89 12.174 0.547 -3.418 695 HB3 ASN 89 3HB ASN 89 13.451 0.289 -4.593 696 HD21 ASN 89 1HD2 ASN 89 10.243 -0.597 -3.629 697 HD22 ASN 89 2HD2 ASN 89 9.853 -1.486 -5.059 698 H PHE 90 H PHE 90 13.865 -3.315 -1.757 699 HA PHE 90 HA PHE 90 11.234 -3.961 -0.975 700 HB2 PHE 90 2HB PHE 90 13.009 -5.667 -1.274 701 HB3 PHE 90 3HB PHE 90 13.850 -5.060 0.150 702 HD1 PHE 90 HD1 PHE 90 10.848 -6.880 -1.050 703 HD2 PHE 90 HD2 PHE 90 13.031 -5.592 2.401 704 HE1 PHE 90 HE1 PHE 90 9.455 -8.319 0.384 705 HE2 PHE 90 HE2 PHE 90 11.626 -7.027 3.812 706 HZ PHE 90 HZ PHE 90 9.850 -8.393 2.805 707 H LEU 91 H LEU 91 13.834 -2.281 0.710 708 HA LEU 91 HA LEU 91 12.478 -2.286 3.276 709 HB2 LEU 91 2HB LEU 91 14.970 -0.820 2.331 710 HB3 LEU 91 3HB LEU 91 14.342 -0.740 3.965 711 HG LEU 91 HG LEU 91 16.173 -2.275 4.024 712 HD11 LEU 91 1HD1 LEU 91 13.636 -3.939 4.022 713 HD12 LEU 91 2HD1 LEU 91 14.259 -2.990 5.371 714 HD13 LEU 91 3HD1 LEU 91 15.165 -4.383 4.787 715 HD21 LEU 91 3HD2 LEU 91 14.965 -3.826 1.698 716 HD22 LEU 91 1HD2 LEU 91 16.427 -4.256 2.592 717 HD23 LEU 91 2HD2 LEU 91 16.393 -2.788 1.621 718 H ASP 92 H ASP 92 12.028 -0.556 0.427 719 HA ASP 92 HA ASP 92 11.196 1.937 1.710 720 HB2 ASP 92 2HB ASP 92 12.450 2.107 -0.411 721 HB3 ASP 92 3HB ASP 92 11.196 1.190 -1.240 722 H LYS 93 H LYS 93 9.164 2.584 1.944 723 HA LYS 93 HA LYS 93 6.993 0.597 1.784 724 HB2 LYS 93 2HB LYS 93 5.829 2.183 3.354 725 HB3 LYS 93 3HB LYS 93 7.373 1.589 3.953 726 HG2 LYS 93 2HG LYS 93 8.425 3.732 3.165 727 HG3 LYS 93 3HG LYS 93 6.815 4.330 2.789 728 HD2 LYS 93 2HD LYS 93 7.625 3.415 5.575 729 HD3 LYS 93 3HD LYS 93 7.833 5.071 5.016 730 HE2 LYS 93 2HE LYS 93 5.800 4.935 6.311 731 HE3 LYS 93 3HE LYS 93 5.369 5.216 4.625 732 HZ1 LYS 93 3HZ LYS 93 5.306 2.588 5.995 733 HZ2 LYS 93 1HZ LYS 93 4.788 2.896 4.419 734 HZ3 LYS 93 2HZ LYS 93 3.964 3.569 5.730 735 H GLN 94 H GLN 94 7.917 3.679 0.503 736 HA GLN 94 HA GLN 94 7.284 5.056 -1.100 737 HB2 GLN 94 2HB GLN 94 6.564 4.034 -3.257 738 HB3 GLN 94 3HB GLN 94 7.990 3.315 -2.534 739 HG2 GLN 94 2HG GLN 94 6.539 1.433 -1.711 740 HG3 GLN 94 3HG GLN 94 5.209 2.118 -2.646 741 HE21 GLN 94 1HE2 GLN 94 6.757 -0.434 -2.854 742 HE22 GLN 94 2HE2 GLN 94 7.270 -0.512 -4.501 743 H ASN 95 H ASN 95 5.039 4.333 0.906 744 HA ASN 95 HA ASN 95 3.164 6.222 -0.232 745 HB2 ASN 95 2HB ASN 95 2.439 3.341 0.248 746 HB3 ASN 95 3HB ASN 95 1.225 4.564 0.624 747 HD21 ASN 95 1HD2 ASN 95 0.393 5.863 -1.090 748 HD22 ASN 95 2HD2 ASN 95 0.528 5.367 -2.739 749 H ARG 96 H ARG 96 1.651 7.008 1.326 750 HA ARG 96 HA ARG 96 2.646 6.995 4.110 751 HB2 ARG 96 2HB ARG 96 2.638 9.414 2.245 752 HB3 ARG 96 3HB ARG 96 2.768 9.542 3.992 753 HG2 ARG 96 2HG ARG 96 4.766 8.229 2.143 754 HG3 ARG 96 3HG ARG 96 4.952 9.771 2.976 755 HD2 ARG 96 2HD ARG 96 4.708 7.058 4.329 756 HD3 ARG 96 3HD ARG 96 6.206 7.949 4.083 757 HE ARG 96 HE ARG 96 5.416 9.627 5.631 758 HH11 ARG 96 1HH1 ARG 96 3.567 6.636 5.700 759 HH12 ARG 96 2HH1 ARG 96 2.954 6.920 7.297 760 HH21 ARG 96 2HH2 ARG 96 4.615 9.965 7.723 761 HH22 ARG 96 1HH2 ARG 96 3.544 8.802 8.440 762 H GLU 97 H GLU 97 1.310 9.357 4.914 763 HA GLU 97 HA GLU 97 -1.485 8.559 4.819 764 HB2 GLU 97 2HB GLU 97 -0.249 9.131 6.960 765 HB3 GLU 97 3HB GLU 97 -0.159 10.793 6.409 766 HG2 GLU 97 2HG GLU 97 -2.766 9.320 6.859 767 HG3 GLU 97 3HG GLU 97 -1.963 10.266 8.100 768 H GLU 98 H GLU 98 -2.611 9.286 3.107 769 HA GLU 98 HA GLU 98 -2.302 12.079 2.169 770 HB2 GLU 98 2HB GLU 98 -3.151 9.535 0.740 771 HB3 GLU 98 3HB GLU 98 -3.688 11.100 0.141 772 HG2 GLU 98 2HG GLU 98 -1.757 10.348 -1.103 773 HG3 GLU 98 3HG GLU 98 -1.366 11.803 -0.198 774 H THR 99 H THR 99 -3.911 13.412 2.699 775 HA THR 99 HA THR 99 -6.453 12.454 3.767 776 HB THR 99 HB THR 99 -5.321 15.291 3.550 777 HG1 THR 99 HG1 THR 99 -4.746 13.262 5.204 778 HG21 THR 99 3HG2 THR 99 -7.805 15.300 3.673 779 HG22 THR 99 1HG2 THR 99 -7.098 15.904 5.170 780 HG23 THR 99 2HG2 THR 99 -7.743 14.263 5.102 781 H VAL 100 H VAL 100 -8.331 12.464 2.600 782 HA VAL 100 HA VAL 100 -8.457 13.887 0.006 783 HB VAL 100 HB VAL 100 -10.176 12.480 -0.716 784 HG11 VAL 100 1HG1 VAL 100 -9.523 10.137 -0.256 785 HG12 VAL 100 2HG1 VAL 100 -8.547 10.681 1.112 786 HG13 VAL 100 3HG1 VAL 100 -8.117 11.176 -0.524 787 HG21 VAL 100 3HG2 VAL 100 -11.755 12.764 1.124 788 HG22 VAL 100 1HG2 VAL 100 -10.806 11.689 2.150 789 HG23 VAL 100 2HG2 VAL 100 -11.615 11.056 0.713 790 H ILE 101 H ILE 101 -10.125 15.403 -0.389 791 HA ILE 101 HA ILE 101 -11.310 16.595 2.060 792 HB ILE 101 HB ILE 101 -10.212 17.979 -0.421 793 HG12 ILE 101 2HG1 ILE 101 -8.466 17.310 1.173 794 HG13 ILE 101 3HG1 ILE 101 -8.644 19.057 1.206 795 HG21 ILE 101 1HG2 ILE 101 -11.688 19.226 1.921 796 HG22 ILE 101 2HG2 ILE 101 -12.245 19.149 0.248 797 HG23 ILE 101 3HG2 ILE 101 -10.833 20.122 0.663 798 HD11 ILE 101 3HD1 ILE 101 -8.308 18.188 3.441 799 HD12 ILE 101 1HD1 ILE 101 -9.691 17.107 3.268 800 HD13 ILE 101 2HD1 ILE 101 -9.936 18.854 3.312 801 H TYR 102 H TYR 102 -13.382 16.150 2.104 802 HA TYR 102 HA TYR 102 -15.138 16.058 -0.181 803 HB2 TYR 102 2HB TYR 102 -15.636 15.831 2.820 804 HB3 TYR 102 3HB TYR 102 -16.927 15.768 1.622 805 HD1 TYR 102 HD1 TYR 102 -17.142 13.857 0.101 806 HD2 TYR 102 HD2 TYR 102 -14.092 13.929 3.097 807 HE1 TYR 102 HE1 TYR 102 -16.744 11.461 -0.232 808 HE2 TYR 102 HE2 TYR 102 -13.708 11.528 2.755 809 HH TYR 102 HH TYR 102 -15.156 9.816 0.117 810 H SER 103 H SER 103 -15.613 17.973 -1.119 811 HA SER 103 HA SER 103 -16.073 20.338 0.601 812 HB2 SER 103 2HB SER 103 -15.489 21.638 -1.526 813 HB3 SER 103 3HB SER 103 -14.154 20.766 -0.776 814 HG SER 103 HG SER 103 -13.901 19.833 -2.605 815 H ALA 104 H ALA 104 -17.861 21.579 0.171 816 HA ALA 104 HA ALA 104 -20.217 20.259 -0.563 817 HB1 ALA 104 3HB ALA 104 -20.171 22.156 0.997 818 HB2 ALA 104 1HB ALA 104 -21.282 22.493 -0.332 819 HB3 ALA 104 2HB ALA 104 -19.685 23.243 -0.301 820 H ASN 105 H ASN 105 -20.552 19.524 -2.551 821 HA ASN 105 HA ASN 105 -19.387 20.620 -4.923 822 HB2 ASN 105 2HB ASN 105 -20.601 18.766 -6.075 823 HB3 ASN 105 3HB ASN 105 -19.654 18.213 -4.699 824 HD21 ASN 105 1HD2 ASN 105 -20.853 16.332 -4.461 825 HD22 ASN 105 2HD2 ASN 105 -22.473 16.316 -3.866 826 H THR 106 H THR 106 -20.994 20.687 -6.943 827 HA THR 106 HA THR 106 -22.297 23.173 -6.720 828 HB THR 106 HB THR 106 -21.261 22.370 -8.830 829 HG1 THR 106 HG1 THR 106 -23.226 23.897 -8.645 830 HG21 THR 106 3HG2 THR 106 -22.028 20.006 -8.780 831 HG22 THR 106 1HG2 THR 106 -22.447 20.797 -10.302 832 HG23 THR 106 2HG2 THR 106 -23.683 20.546 -9.071 833 H ILE 107 H ILE 107 -23.514 19.919 -6.297 834 HA ILE 107 HA ILE 107 -26.259 20.243 -6.876 835 HB ILE 107 HB ILE 107 -24.859 18.357 -4.935 836 HG12 ILE 107 2HG1 ILE 107 -24.101 18.070 -7.255 837 HG13 ILE 107 3HG1 ILE 107 -25.038 16.675 -6.744 838 HG21 ILE 107 1HG2 ILE 107 -27.703 18.144 -5.967 839 HG22 ILE 107 2HG2 ILE 107 -27.215 18.465 -4.303 840 HG23 ILE 107 3HG2 ILE 107 -26.855 16.904 -5.041 841 HD11 ILE 107 3HD1 ILE 107 -26.979 17.554 -8.004 842 HD12 ILE 107 1HD1 ILE 107 -25.571 17.258 -9.024 843 HD13 ILE 107 2HD1 ILE 107 -25.984 18.905 -8.552 844 H THR 108 H THR 108 -24.525 20.432 -3.759 845 HA THR 108 HA THR 108 -26.832 21.167 -2.219 846 HB THR 108 HB THR 108 -24.930 19.943 -1.207 847 HG1 THR 108 HG1 THR 108 -26.309 21.778 -0.087 848 HG21 THR 108 3HG2 THR 108 -23.072 21.047 -2.377 849 HG22 THR 108 1HG2 THR 108 -22.853 21.120 -0.628 850 HG23 THR 108 2HG2 THR 108 -23.407 22.546 -1.507 851 H GLN 109 H GLN 109 -24.409 22.951 -4.003 852 HA GLN 109 HA GLN 109 -24.656 25.480 -2.721 853 HB2 GLN 109 2HB GLN 109 -23.741 24.767 -5.528 854 HB3 GLN 109 3HB GLN 109 -23.632 26.389 -4.844 855 HG2 GLN 109 2HG GLN 109 -22.107 25.557 -3.093 856 HG3 GLN 109 3HG GLN 109 -22.241 23.926 -3.759 857 HE21 GLN 109 1HE2 GLN 109 -20.050 23.784 -4.189 858 HE22 GLN 109 2HE2 GLN 109 -19.268 24.681 -5.435 859 H ASN 110 H ASN 110 -26.743 23.825 -4.899 860 HA ASN 110 HA ASN 110 -28.153 26.070 -5.973 861 HB2 ASN 110 2HB ASN 110 -28.967 23.161 -5.609 862 HB3 ASN 110 3HB ASN 110 -30.010 24.362 -6.362 863 HD21 ASN 110 1HD2 ASN 110 -26.511 24.320 -6.892 864 HD22 ASN 110 2HD2 ASN 110 -26.597 23.777 -8.524 865 H LYS 111 H LYS 111 -30.367 26.614 -5.423 866 HA LYS 111 HA LYS 111 -30.737 27.060 -2.598 867 HB2 LYS 111 2HB LYS 111 -32.509 27.759 -4.978 868 HB3 LYS 111 3HB LYS 111 -32.835 28.221 -3.311 869 HG2 LYS 111 2HG LYS 111 -31.889 30.137 -4.368 870 HG3 LYS 111 3HG LYS 111 -30.649 29.477 -3.303 871 HD2 LYS 111 2HD LYS 111 -29.542 28.427 -5.263 872 HD3 LYS 111 3HD LYS 111 -30.776 29.114 -6.322 873 HE2 LYS 111 2HE LYS 111 -30.037 31.380 -5.765 874 HE3 LYS 111 3HE LYS 111 -28.879 30.741 -4.592 875 HZ1 LYS 111 3HZ LYS 111 -27.640 29.726 -6.341 876 HZ2 LYS 111 1HZ LYS 111 -27.877 31.346 -6.745 877 HZ3 LYS 111 2HZ LYS 111 -28.793 30.144 -7.503 878 H LYS 112 H LYS 112 -30.910 24.996 -1.816 879 HA LYS 112 HA LYS 112 -33.493 23.605 -2.107 880 HB2 LYS 112 2HB LYS 112 -30.816 22.107 -2.108 881 HB3 LYS 112 3HB LYS 112 -32.420 21.390 -2.215 882 HG2 LYS 112 2HG LYS 112 -32.712 22.521 -4.425 883 HG3 LYS 112 3HG LYS 112 -31.046 23.090 -4.297 884 HD2 LYS 112 2HD LYS 112 -30.236 20.753 -4.263 885 HD3 LYS 112 3HD LYS 112 -31.902 20.168 -4.356 886 HE2 LYS 112 2HE LYS 112 -30.457 21.798 -6.468 887 HE3 LYS 112 3HE LYS 112 -30.840 20.083 -6.556 888 HZ1 LYS 112 3HZ LYS 112 -33.166 20.608 -6.584 889 HZ2 LYS 112 1HZ LYS 112 -32.390 21.467 -7.812 890 HZ3 LYS 112 2HZ LYS 112 -32.852 22.257 -6.392 891 H ASP 113 H ASP 113 -30.432 22.807 -0.509 892 HA ASP 113 HA ASP 113 -31.771 22.610 2.103 893 HB2 ASP 113 2HB ASP 113 -29.802 21.309 2.782 894 HB3 ASP 113 3HB ASP 113 -30.421 20.671 1.266 895 H GLY 114 H GLY 114 -29.842 23.082 3.899 896 HA2 GLY 114 2HA GLY 114 -28.863 24.782 5.106 897 HA3 GLY 114 3HA GLY 114 -28.512 25.598 3.581 898 H LEU 115 H LEU 115 -31.653 24.568 4.792 899 HA LEU 115 HA LEU 115 -33.017 26.996 4.353 900 HB2 LEU 115 2HB LEU 115 -33.725 24.649 6.180 901 HB3 LEU 115 3HB LEU 115 -34.851 25.894 5.659 902 HG LEU 115 HG LEU 115 -33.475 23.917 3.788 903 HD11 LEU 115 1HD1 LEU 115 -36.336 23.893 4.802 904 HD12 LEU 115 2HD1 LEU 115 -35.064 22.755 5.245 905 HD13 LEU 115 3HD1 LEU 115 -35.661 22.800 3.588 906 HD21 LEU 115 3HD2 LEU 115 -35.667 25.946 3.217 907 HD22 LEU 115 1HD2 LEU 115 -35.064 24.735 2.080 908 HD23 LEU 115 2HD2 LEU 115 -33.997 26.015 2.646 909 H GLU 116 H GLU 116 -32.025 25.389 7.336 910 HA GLU 116 HA GLU 116 -31.413 26.005 9.409 911 HB2 GLU 116 2HB GLU 116 -30.092 28.260 7.852 912 HB3 GLU 116 3HB GLU 116 -29.669 27.763 9.489 913 HG2 GLU 116 2HG GLU 116 -29.079 25.497 8.594 914 HG3 GLU 116 3HG GLU 116 -29.400 26.109 6.974 915 H HIS 117 H HIS 117 -33.922 26.614 9.149 916 HA HIS 117 HA HIS 117 -34.601 29.238 10.068 917 HB2 HIS 117 2HB HIS 117 -36.180 26.661 10.455 918 HB3 HIS 117 3HB HIS 117 -36.796 28.308 10.557 919 HD1 HIS 117 HD1 HIS 117 -37.220 25.674 8.426 920 HD2 HIS 117 HD2 HIS 117 -35.887 29.547 7.733 921 HE1 HIS 117 HE1 HIS 117 -37.603 26.090 5.984 922 HE2 HIS 117 HE2 HIS 117 -36.878 28.467 5.608 923 H HIS 118 H HIS 118 -33.297 29.767 11.707 924 HA HIS 118 HA HIS 118 -32.497 27.800 13.716 925 HB2 HIS 118 2HB HIS 118 -30.801 29.096 12.440 926 HB3 HIS 118 3HB HIS 118 -31.417 30.587 13.144 927 HD1 HIS 118 HD1 HIS 118 -29.802 31.362 14.863 928 HD2 HIS 118 HD2 HIS 118 -30.145 27.220 14.853 929 HE1 HIS 118 HE1 HIS 118 -28.265 30.555 16.676 930 HE2 HIS 118 HE2 HIS 118 -28.584 28.071 16.724 931 H HIS 119 H HIS 119 -34.576 27.806 14.728 932 HA HIS 119 HA HIS 119 -35.234 30.051 16.500 933 HB2 HIS 119 2HB HIS 119 -37.028 28.720 15.343 934 HB3 HIS 119 3HB HIS 119 -36.537 27.301 16.258 935 HD1 HIS 119 HD1 HIS 119 -38.280 30.621 16.652 936 HD2 HIS 119 HD2 HIS 119 -37.529 27.186 18.880 937 HE1 HIS 119 HE1 HIS 119 -39.738 30.797 18.695 938 HE2 HIS 119 HE2 HIS 119 -39.204 28.762 20.061 939 H HIS 120 H HIS 120 -33.778 26.872 16.534 940 HA HIS 120 HA HIS 120 -33.390 26.514 19.330 941 HB2 HIS 120 2HB HIS 120 -33.164 24.776 17.430 942 HB3 HIS 120 3HB HIS 120 -31.599 25.481 17.076 943 HD1 HIS 120 HD1 HIS 120 -29.771 24.136 18.043 944 HD2 HIS 120 HD2 HIS 120 -33.219 23.890 20.345 945 HE1 HIS 120 HE1 HIS 120 -29.253 22.493 19.861 946 HE2 HIS 120 HE2 HIS 120 -31.420 22.210 21.105 947 H HIS 121 H HIS 121 -31.414 26.967 20.575 948 HA HIS 121 HA HIS 121 -30.499 29.634 20.060 949 HB2 HIS 121 2HB HIS 121 -29.667 27.677 22.246 950 HB3 HIS 121 3HB HIS 121 -29.193 29.373 22.199 951 HD1 HIS 121 HD1 HIS 121 -31.046 27.817 24.374 952 HD2 HIS 121 HD2 HIS 121 -32.275 30.523 21.472 953 HE1 HIS 121 HE1 HIS 121 -33.202 28.777 25.216 954 HE2 HIS 121 HE2 HIS 121 -33.956 30.368 23.421 955 H HIS 122 H HIS 122 -28.853 26.472 20.142 956 HA HIS 122 HA HIS 122 -26.609 27.607 18.569 957 HB2 HIS 122 2HB HIS 122 -26.610 25.261 20.521 958 HB3 HIS 122 3HB HIS 122 -25.270 25.631 19.442 959 HD1 HIS 122 HD1 HIS 122 -23.538 27.096 20.391 960 HD2 HIS 122 HD2 HIS 122 -27.152 27.511 22.395 961 HE1 HIS 122 HE1 HIS 122 -23.066 28.620 22.321 962 HE2 HIS 122 HE2 HIS 122 -25.278 28.950 23.452 Start of MODEL 17 1 H1 MET 1 1H MET 1 22.916 -29.506 3.472 2 H2 MET 1 2H MET 1 22.711 -27.971 4.143 3 H3 MET 1 3H MET 1 22.977 -28.138 2.488 4 HA MET 1 HA MET 1 20.916 -29.238 2.182 5 HB2 MET 1 2HB MET 1 20.877 -30.358 4.405 6 HB3 MET 1 3HB MET 1 20.527 -28.813 5.175 7 HG2 MET 1 2HG MET 1 18.514 -30.251 4.926 8 HG3 MET 1 3HG MET 1 18.355 -28.711 4.073 9 HE1 MET 1 3HE MET 1 16.426 -31.240 3.451 10 HE2 MET 1 1HE MET 1 16.379 -31.113 1.696 11 HE3 MET 1 2HE MET 1 16.315 -29.651 2.685 12 H ILE 2 H ILE 2 19.054 -28.025 1.680 13 HA ILE 2 HA ILE 2 19.091 -25.121 2.321 14 HB ILE 2 HB ILE 2 18.224 -26.510 -0.274 15 HG12 ILE 2 2HG1 ILE 2 20.707 -26.396 -0.038 16 HG13 ILE 2 3HG1 ILE 2 20.127 -25.417 -1.378 17 HG21 ILE 2 1HG2 ILE 2 18.244 -23.540 0.358 18 HG22 ILE 2 2HG2 ILE 2 16.817 -24.555 0.129 19 HG23 ILE 2 3HG2 ILE 2 17.909 -24.253 -1.222 20 HD11 ILE 2 3HD1 ILE 2 20.390 -23.398 0.008 21 HD12 ILE 2 1HD1 ILE 2 21.895 -24.296 -0.194 22 HD13 ILE 2 2HD1 ILE 2 21.007 -24.405 1.323 23 H GLU 3 H GLU 3 16.975 -24.147 2.608 24 HA GLU 3 HA GLU 3 14.596 -25.913 2.406 25 HB2 GLU 3 2HB GLU 3 13.560 -24.882 4.316 26 HB3 GLU 3 3HB GLU 3 15.169 -25.376 4.827 27 HG2 GLU 3 2HG GLU 3 15.979 -23.138 4.827 28 HG3 GLU 3 3HG GLU 3 14.583 -22.545 3.928 29 HA PRO 4 HA PRO 4 13.052 -22.385 -0.079 30 HB2 PRO 4 2HB PRO 4 10.368 -22.986 -0.093 31 HB3 PRO 4 3HB PRO 4 11.548 -23.891 -1.062 32 HG2 PRO 4 2HG PRO 4 10.303 -24.638 1.561 33 HG3 PRO 4 3HG PRO 4 10.603 -25.648 0.129 34 HD2 PRO 4 2HD PRO 4 12.238 -25.658 2.332 35 HD3 PRO 4 3HD PRO 4 12.822 -26.016 0.690 36 H ILE 5 H ILE 5 12.772 -20.331 0.701 37 HA ILE 5 HA ILE 5 11.026 -19.866 3.071 38 HB ILE 5 HB ILE 5 12.489 -17.971 3.766 39 HG12 ILE 5 2HG1 ILE 5 14.389 -18.972 1.603 40 HG13 ILE 5 3HG1 ILE 5 13.534 -17.439 1.598 41 HG21 ILE 5 1HG2 ILE 5 12.773 -20.134 4.860 42 HG22 ILE 5 2HG2 ILE 5 14.320 -19.284 4.761 43 HG23 ILE 5 3HG2 ILE 5 13.967 -20.612 3.650 44 HD11 ILE 5 3HD1 ILE 5 15.733 -18.263 3.484 45 HD12 ILE 5 1HD1 ILE 5 14.826 -16.752 3.583 46 HD13 ILE 5 2HD1 ILE 5 15.827 -17.090 2.173 47 H LYS 6 H LYS 6 10.305 -17.561 3.209 48 HA LYS 6 HA LYS 6 10.388 -15.926 0.847 49 HB2 LYS 6 2HB LYS 6 8.051 -15.771 0.352 50 HB3 LYS 6 3HB LYS 6 8.445 -17.482 0.347 51 HG2 LYS 6 2HG LYS 6 7.197 -16.104 2.727 52 HG3 LYS 6 3HG LYS 6 6.231 -16.778 1.422 53 HD2 LYS 6 2HD LYS 6 8.202 -18.404 3.069 54 HD3 LYS 6 3HD LYS 6 6.480 -18.273 3.450 55 HE2 LYS 6 2HE LYS 6 5.970 -19.196 1.176 56 HE3 LYS 6 3HE LYS 6 7.700 -19.433 0.923 57 HZ1 LYS 6 3HZ LYS 6 6.050 -20.716 3.035 58 HZ2 LYS 6 1HZ LYS 6 7.716 -20.905 2.856 59 HZ3 LYS 6 2HZ LYS 6 6.672 -21.469 1.657 60 H ARG 7 H ARG 7 10.019 -13.792 1.311 61 HA ARG 7 HA ARG 7 9.496 -13.010 4.111 62 HB2 ARG 7 2HB ARG 7 11.688 -12.314 2.893 63 HB3 ARG 7 3HB ARG 7 10.681 -11.268 1.897 64 HG2 ARG 7 2HG ARG 7 11.551 -9.855 3.572 65 HG3 ARG 7 3HG ARG 7 9.892 -10.173 4.082 66 HD2 ARG 7 2HD ARG 7 11.375 -10.279 5.992 67 HD3 ARG 7 3HD ARG 7 10.749 -11.899 5.657 68 HE ARG 7 HE ARG 7 13.261 -11.387 4.364 69 HH11 ARG 7 1HH1 ARG 7 11.857 -12.375 7.438 70 HH12 ARG 7 2HH1 ARG 7 13.291 -13.202 7.954 71 HH21 ARG 7 2HH2 ARG 7 15.138 -12.463 5.070 72 HH22 ARG 7 1HH2 ARG 7 15.145 -13.253 6.614 73 H THR 8 H THR 8 8.185 -10.963 4.329 74 HA THR 8 HA THR 8 6.056 -10.735 2.276 75 HB THR 8 HB THR 8 5.626 -10.831 5.311 76 HG1 THR 8 HG1 THR 8 5.499 -12.852 3.327 77 HG21 THR 8 3HG2 THR 8 3.643 -10.956 3.012 78 HG22 THR 8 1HG2 THR 8 3.873 -9.584 4.103 79 HG23 THR 8 2HG2 THR 8 3.246 -11.112 4.723 80 H GLN 9 H GLN 9 6.393 -8.659 1.544 81 HA GLN 9 HA GLN 9 6.665 -6.473 3.540 82 HB2 GLN 9 2HB GLN 9 8.526 -6.669 1.837 83 HB3 GLN 9 3HB GLN 9 7.344 -6.389 0.560 84 HG2 GLN 9 2HG GLN 9 8.569 -4.337 1.069 85 HG3 GLN 9 3HG GLN 9 6.861 -4.157 1.478 86 HE21 GLN 9 1HE2 GLN 9 10.077 -4.409 2.751 87 HE22 GLN 9 2HE2 GLN 9 9.705 -3.933 4.359 88 H VAL 10 H VAL 10 4.774 -5.456 3.880 89 HA VAL 10 HA VAL 10 2.736 -5.436 1.746 90 HB VAL 10 HB VAL 10 1.073 -4.880 3.461 91 HG11 VAL 10 1HG1 VAL 10 1.065 -7.036 4.655 92 HG12 VAL 10 2HG1 VAL 10 2.760 -7.290 4.230 93 HG13 VAL 10 3HG1 VAL 10 1.527 -7.235 2.966 94 HG21 VAL 10 3HG2 VAL 10 1.610 -4.900 5.880 95 HG22 VAL 10 1HG2 VAL 10 2.437 -3.584 5.041 96 HG23 VAL 10 2HG2 VAL 10 3.329 -5.035 5.500 97 H VAL 11 H VAL 11 2.142 -3.605 0.764 98 HA VAL 11 HA VAL 11 3.333 -1.045 1.592 99 HB VAL 11 HB VAL 11 1.725 -1.761 -0.909 100 HG11 VAL 11 1HG1 VAL 11 1.438 0.615 -0.328 101 HG12 VAL 11 2HG1 VAL 11 2.416 0.443 -1.787 102 HG13 VAL 11 3HG1 VAL 11 3.190 0.819 -0.245 103 HG21 VAL 11 3HG2 VAL 11 4.709 -1.286 -0.565 104 HG22 VAL 11 1HG2 VAL 11 3.888 -1.588 -2.101 105 HG23 VAL 11 2HG2 VAL 11 3.934 -2.844 -0.861 106 H THR 12 H THR 12 2.212 0.003 3.072 107 HA THR 12 HA THR 12 -0.613 -0.587 3.553 108 HB THR 12 HB THR 12 1.462 0.937 5.206 109 HG1 THR 12 HG1 THR 12 0.576 -1.751 5.566 110 HG21 THR 12 3HG2 THR 12 -0.011 0.499 7.133 111 HG22 THR 12 1HG2 THR 12 -1.203 -0.231 6.062 112 HG23 THR 12 2HG2 THR 12 -0.826 1.489 5.917 113 H GLN 13 H GLN 13 -1.750 0.701 2.078 114 HA GLN 13 HA GLN 13 -1.223 3.575 1.930 115 HB2 GLN 13 2HB GLN 13 -1.545 2.322 -0.180 116 HB3 GLN 13 3HB GLN 13 -3.161 1.850 0.331 117 HG2 GLN 13 2HG GLN 13 -3.903 4.171 0.271 118 HG3 GLN 13 3HG GLN 13 -2.271 4.721 -0.094 119 HE21 GLN 13 1HE2 GLN 13 -1.690 2.638 -2.040 120 HE22 GLN 13 2HE2 GLN 13 -2.642 2.993 -3.435 121 H THR 14 H THR 14 -1.976 4.470 3.731 122 HA THR 14 HA THR 14 -4.632 3.869 4.826 123 HB THR 14 HB THR 14 -2.466 5.771 5.846 124 HG1 THR 14 HG1 THR 14 -1.786 3.556 5.797 125 HG21 THR 14 3HG2 THR 14 -4.719 6.270 6.760 126 HG22 THR 14 1HG2 THR 14 -3.648 5.621 8.005 127 HG23 THR 14 2HG2 THR 14 -4.881 4.591 7.280 128 H ILE 15 H ILE 15 -6.344 5.307 4.615 129 HA ILE 15 HA ILE 15 -5.790 8.044 3.637 130 HB ILE 15 HB ILE 15 -7.984 6.148 2.753 131 HG12 ILE 15 2HG1 ILE 15 -7.522 7.418 0.513 132 HG13 ILE 15 3HG1 ILE 15 -6.093 8.046 1.316 133 HG21 ILE 15 1HG2 ILE 15 -8.290 9.169 2.732 134 HG22 ILE 15 2HG2 ILE 15 -9.292 8.008 3.604 135 HG23 ILE 15 3HG2 ILE 15 -9.321 8.044 1.839 136 HD11 ILE 15 3HD1 ILE 15 -5.618 6.129 -0.121 137 HD12 ILE 15 1HD1 ILE 15 -6.704 5.132 0.848 138 HD13 ILE 15 2HD1 ILE 15 -5.230 5.788 1.566 139 H HIS 16 H HIS 16 -6.673 9.676 4.742 140 HA HIS 16 HA HIS 16 -8.379 9.172 7.096 141 HB2 HIS 16 2HB HIS 16 -6.575 11.533 6.395 142 HB3 HIS 16 3HB HIS 16 -7.637 11.487 7.800 143 HD1 HIS 16 HD1 HIS 16 -6.314 8.188 7.608 144 HD2 HIS 16 HD2 HIS 16 -4.776 11.846 8.814 145 HE1 HIS 16 HE1 HIS 16 -4.376 7.656 9.099 146 HE2 HIS 16 HE2 HIS 16 -3.410 9.879 9.725 147 H TYR 17 H TYR 17 -10.242 10.476 7.335 148 HA TYR 17 HA TYR 17 -11.317 11.610 4.808 149 HB2 TYR 17 2HB TYR 17 -12.869 10.279 7.080 150 HB3 TYR 17 3HB TYR 17 -13.554 10.923 5.597 151 HD1 TYR 17 HD1 TYR 17 -10.675 8.574 6.256 152 HD2 TYR 17 HD2 TYR 17 -14.463 9.167 4.382 153 HE1 TYR 17 HE1 TYR 17 -10.553 6.336 5.318 154 HE2 TYR 17 HE2 TYR 17 -14.337 6.905 3.444 155 HH TYR 17 HH TYR 17 -12.981 5.105 3.125 156 H ARG 18 H ARG 18 -11.275 13.766 5.051 157 HA ARG 18 HA ARG 18 -12.201 15.008 7.582 158 HB2 ARG 18 2HB ARG 18 -10.020 16.057 5.712 159 HB3 ARG 18 3HB ARG 18 -10.612 16.871 7.157 160 HG2 ARG 18 2HG ARG 18 -9.225 14.179 7.154 161 HG3 ARG 18 3HG ARG 18 -8.419 15.717 7.458 162 HD2 ARG 18 2HD ARG 18 -9.741 16.064 9.471 163 HD3 ARG 18 3HD ARG 18 -10.705 14.625 9.129 164 HE ARG 18 HE ARG 18 -8.951 13.279 9.772 165 HH11 ARG 18 1HH1 ARG 18 -7.957 16.628 10.013 166 HH12 ARG 18 2HH1 ARG 18 -6.561 16.267 10.972 167 HH21 ARG 18 1HH2 ARG 18 -7.127 12.802 10.996 168 HH22 ARG 18 2HH2 ARG 18 -6.094 14.090 11.525 169 H TYR 19 H TYR 19 -12.977 17.225 7.199 170 HA TYR 19 HA TYR 19 -14.363 17.571 4.612 171 HB2 TYR 19 2HB TYR 19 -14.928 18.709 7.395 172 HB3 TYR 19 3HB TYR 19 -15.753 19.247 5.937 173 HD1 TYR 19 HD1 TYR 19 -15.389 16.431 8.321 174 HD2 TYR 19 HD2 TYR 19 -17.464 17.880 4.881 175 HE1 TYR 19 HE1 TYR 19 -17.088 14.676 8.600 176 HE2 TYR 19 HE2 TYR 19 -19.159 16.124 5.158 177 HH TYR 19 HH TYR 19 -19.557 14.092 6.213 178 H GLU 20 H GLU 20 -14.592 19.988 4.058 179 HA GLU 20 HA GLU 20 -12.009 21.205 3.874 180 HB2 GLU 20 2HB GLU 20 -13.114 23.051 2.723 181 HB3 GLU 20 3HB GLU 20 -13.726 21.518 2.118 182 HG2 GLU 20 2HG GLU 20 -15.808 21.774 3.200 183 HG3 GLU 20 3HG GLU 20 -15.213 23.056 4.255 184 H ASP 21 H ASP 21 -14.604 21.398 6.159 185 HA ASP 21 HA ASP 21 -14.016 23.876 7.436 186 HB2 ASP 21 2HB ASP 21 -16.199 22.756 7.660 187 HB3 ASP 21 3HB ASP 21 -15.452 21.362 8.426 188 H GLY 22 H GLY 22 -12.453 20.797 7.504 189 HA2 GLY 22 2HA GLY 22 -10.409 20.343 8.611 190 HA3 GLY 22 3HA GLY 22 -10.790 21.547 9.831 191 H ALA 23 H ALA 23 -13.596 19.924 9.435 192 HA ALA 23 HA ALA 23 -13.411 18.388 11.840 193 HB1 ALA 23 3HB ALA 23 -15.567 18.411 9.689 194 HB2 ALA 23 1HB ALA 23 -15.512 19.462 11.108 195 HB3 ALA 23 2HB ALA 23 -15.732 17.723 11.307 196 H VAL 24 H VAL 24 -13.787 16.027 11.999 197 HA VAL 24 HA VAL 24 -12.471 14.533 9.806 198 HB VAL 24 HB VAL 24 -12.992 13.464 12.623 199 HG11 VAL 24 1HG1 VAL 24 -12.498 11.769 10.893 200 HG12 VAL 24 2HG1 VAL 24 -11.199 11.867 12.083 201 HG13 VAL 24 3HG1 VAL 24 -10.993 12.607 10.493 202 HG21 VAL 24 3HG2 VAL 24 -11.626 15.493 12.867 203 HG22 VAL 24 1HG2 VAL 24 -10.470 14.877 11.684 204 HG23 VAL 24 2HG2 VAL 24 -10.678 14.049 13.229 205 H ALA 25 H ALA 25 -13.769 13.372 8.489 206 HA ALA 25 HA ALA 25 -16.458 12.572 9.161 207 HB1 ALA 25 3HB ALA 25 -16.424 11.401 6.977 208 HB2 ALA 25 1HB ALA 25 -14.707 11.774 6.804 209 HB3 ALA 25 2HB ALA 25 -15.894 13.074 6.829 210 H HIS 26 H HIS 26 -13.333 10.890 8.704 211 HA HIS 26 HA HIS 26 -13.648 9.237 10.975 212 HB2 HIS 26 2HB HIS 26 -15.161 8.056 9.169 213 HB3 HIS 26 3HB HIS 26 -13.641 7.539 8.444 214 HD1 HIS 26 HD1 HIS 26 -12.060 6.076 10.075 215 HD2 HIS 26 HD2 HIS 26 -15.989 6.549 11.324 216 HE1 HIS 26 HE1 HIS 26 -12.383 4.402 11.909 217 HE2 HIS 26 HE2 HIS 26 -14.682 4.875 12.790 218 H ASP 27 H ASP 27 -11.754 7.787 11.303 219 HA ASP 27 HA ASP 27 -9.366 8.737 9.795 220 HB2 ASP 27 2HB ASP 27 -9.558 9.676 12.094 221 HB3 ASP 27 3HB ASP 27 -9.553 8.053 12.754 222 H ASP 28 H ASP 28 -7.659 7.336 9.485 223 HA ASP 28 HA ASP 28 -6.538 5.476 8.973 224 HB2 ASP 28 2HB ASP 28 -6.215 5.517 11.427 225 HB3 ASP 28 3HB ASP 28 -7.643 4.519 11.654 226 H HIS 29 H HIS 29 -8.095 5.157 7.166 227 HA HIS 29 HA HIS 29 -9.148 2.392 7.359 228 HB2 HIS 29 2HB HIS 29 -10.170 4.682 5.658 229 HB3 HIS 29 3HB HIS 29 -10.537 3.009 5.282 230 HD1 HIS 29 HD1 HIS 29 -12.947 4.523 5.734 231 HD2 HIS 29 HD2 HIS 29 -10.866 2.921 8.932 232 HE1 HIS 29 HE1 HIS 29 -14.599 4.381 7.611 233 HE2 HIS 29 HE2 HIS 29 -13.382 3.124 9.404 234 H VAL 30 H VAL 30 -7.892 1.003 6.362 235 HA VAL 30 HA VAL 30 -5.715 2.054 4.647 236 HB VAL 30 HB VAL 30 -5.573 -0.152 6.770 237 HG11 VAL 30 1HG1 VAL 30 -3.138 -0.029 6.469 238 HG12 VAL 30 2HG1 VAL 30 -3.343 1.181 5.201 239 HG13 VAL 30 3HG1 VAL 30 -3.942 -0.462 4.958 240 HG21 VAL 30 3HG2 VAL 30 -5.925 2.049 7.841 241 HG22 VAL 30 1HG2 VAL 30 -4.528 2.696 6.977 242 HG23 VAL 30 2HG2 VAL 30 -4.310 1.421 8.176 243 H VAL 31 H VAL 31 -5.224 0.890 2.836 244 HA VAL 31 HA VAL 31 -6.089 -1.930 2.614 245 HB VAL 31 HB VAL 31 -7.205 -0.630 0.860 246 HG11 VAL 31 1HG1 VAL 31 -6.016 0.647 -0.872 247 HG12 VAL 31 2HG1 VAL 31 -4.480 0.346 -0.051 248 HG13 VAL 31 3HG1 VAL 31 -5.724 1.325 0.734 249 HG21 VAL 31 3HG2 VAL 31 -6.442 -1.845 -1.143 250 HG22 VAL 31 1HG2 VAL 31 -6.441 -2.903 0.271 251 HG23 VAL 31 2HG2 VAL 31 -4.922 -2.245 -0.341 252 H SER 32 H SER 32 -4.407 -3.210 2.945 253 HA SER 32 HA SER 32 -1.651 -2.367 2.265 254 HB2 SER 32 2HB SER 32 -0.965 -3.983 4.093 255 HB3 SER 32 3HB SER 32 -1.890 -2.595 4.668 256 HG SER 32 HG SER 32 -3.474 -4.736 3.998 257 H LEU 33 H LEU 33 -0.668 -3.527 0.706 258 HA LEU 33 HA LEU 33 -1.916 -6.071 -0.185 259 HB2 LEU 33 2HB LEU 33 -0.276 -4.008 -1.686 260 HB3 LEU 33 3HB LEU 33 -0.708 -5.575 -2.362 261 HG LEU 33 HG LEU 33 -2.671 -3.404 -1.529 262 HD11 LEU 33 1HD1 LEU 33 -1.385 -2.890 -3.552 263 HD12 LEU 33 2HD1 LEU 33 -3.096 -3.130 -3.883 264 HD13 LEU 33 3HD1 LEU 33 -1.935 -4.398 -4.287 265 HD21 LEU 33 3HD2 LEU 33 -4.408 -4.826 -2.540 266 HD22 LEU 33 1HD2 LEU 33 -3.646 -5.615 -1.160 267 HD23 LEU 33 2HD2 LEU 33 -3.220 -6.109 -2.800 268 H ILE 34 H ILE 34 -0.763 -7.878 -0.324 269 HA ILE 34 HA ILE 34 1.767 -7.991 1.108 270 HB ILE 34 HB ILE 34 -0.182 -10.156 0.183 271 HG12 ILE 34 2HG1 ILE 34 -0.343 -10.543 2.747 272 HG13 ILE 34 3HG1 ILE 34 0.500 -9.011 2.927 273 HG21 ILE 34 1HG2 ILE 34 2.074 -11.104 0.032 274 HG22 ILE 34 2HG2 ILE 34 1.213 -11.812 1.398 275 HG23 ILE 34 3HG2 ILE 34 2.434 -10.571 1.677 276 HD11 ILE 34 3HD1 ILE 34 -1.912 -8.794 3.235 277 HD12 ILE 34 1HD1 ILE 34 -2.185 -9.385 1.596 278 HD13 ILE 34 2HD1 ILE 34 -1.353 -7.849 1.855 279 H PHE 35 H PHE 35 3.629 -7.963 0.045 280 HA PHE 35 HA PHE 35 3.894 -9.137 -2.664 281 HB2 PHE 35 2HB PHE 35 5.601 -7.057 -1.216 282 HB3 PHE 35 3HB PHE 35 6.007 -7.755 -2.781 283 HD1 PHE 35 HD1 PHE 35 3.458 -5.671 -1.013 284 HD2 PHE 35 HD2 PHE 35 5.047 -6.888 -4.796 285 HE1 PHE 35 HE1 PHE 35 2.128 -3.935 -2.136 286 HE2 PHE 35 HE2 PHE 35 3.717 -5.143 -5.903 287 HZ PHE 35 HZ PHE 35 2.256 -3.668 -4.578 288 H THR 36 H THR 36 4.477 -11.198 -2.430 289 HA THR 36 HA THR 36 6.079 -12.080 -0.143 290 HB THR 36 HB THR 36 4.676 -13.746 -2.277 291 HG1 THR 36 HG1 THR 36 3.009 -12.869 -1.247 292 HG21 THR 36 3HG2 THR 36 5.717 -14.543 0.469 293 HG22 THR 36 1HG2 THR 36 6.461 -14.979 -1.074 294 HG23 THR 36 2HG2 THR 36 4.860 -15.589 -0.662 295 H GLN 37 H GLN 37 8.221 -11.748 -0.539 296 HA GLN 37 HA GLN 37 9.452 -12.316 -3.128 297 HB2 GLN 37 2HB GLN 37 10.229 -10.384 -1.823 298 HB3 GLN 37 3HB GLN 37 10.652 -11.426 -0.470 299 HG2 GLN 37 2HG GLN 37 12.382 -12.517 -1.883 300 HG3 GLN 37 3HG GLN 37 11.960 -11.428 -3.211 301 HE21 GLN 37 1HE2 GLN 37 12.489 -9.217 -3.018 302 HE22 GLN 37 2HE2 GLN 37 13.657 -8.654 -1.875 303 H SER 38 H SER 38 9.520 -14.474 -3.516 304 HA SER 38 HA SER 38 10.047 -16.467 -1.530 305 HB2 SER 38 2HB SER 38 10.253 -17.973 -3.568 306 HB3 SER 38 3HB SER 38 8.751 -17.055 -3.486 307 HG SER 38 HG SER 38 11.024 -16.203 -4.972 308 H GLY 39 H GLY 39 11.875 -17.974 -1.683 309 HA2 GLY 39 2HA GLY 39 14.322 -17.495 -2.964 310 HA3 GLY 39 3HA GLY 39 14.379 -16.735 -1.369 311 H LYS 40 H LYS 40 16.049 -18.272 -0.835 312 HA LYS 40 HA LYS 40 14.995 -20.677 0.373 313 HB2 LYS 40 2HB LYS 40 16.609 -22.219 -0.746 314 HB3 LYS 40 3HB LYS 40 15.406 -21.566 -1.839 315 HG2 LYS 40 2HG LYS 40 17.291 -21.430 -3.164 316 HG3 LYS 40 3HG LYS 40 17.303 -19.821 -2.441 317 HD2 LYS 40 2HD LYS 40 18.986 -20.575 -0.789 318 HD3 LYS 40 3HD LYS 40 18.949 -22.200 -1.477 319 HE2 LYS 40 2HE LYS 40 19.811 -19.689 -2.947 320 HE3 LYS 40 3HE LYS 40 20.899 -20.885 -2.250 321 HZ1 LYS 40 3HZ LYS 40 20.639 -21.227 -4.607 322 HZ2 LYS 40 1HZ LYS 40 18.965 -21.365 -4.446 323 HZ3 LYS 40 2HZ LYS 40 19.973 -22.534 -3.769 324 H ARG 41 H ARG 41 16.212 -21.330 2.142 325 HA ARG 41 HA ARG 41 18.425 -19.541 2.939 326 HB2 ARG 41 2HB ARG 41 16.404 -19.662 4.450 327 HB3 ARG 41 3HB ARG 41 16.719 -21.378 4.681 328 HG2 ARG 41 2HG ARG 41 19.031 -20.651 5.583 329 HG3 ARG 41 3HG ARG 41 18.351 -19.023 5.648 330 HD2 ARG 41 2HD ARG 41 17.414 -21.483 7.143 331 HD3 ARG 41 3HD ARG 41 18.103 -20.014 7.833 332 HE ARG 41 HE ARG 41 15.372 -20.414 6.844 333 HH11 ARG 41 2HH1 ARG 41 17.709 -18.174 8.265 334 HH12 ARG 41 1HH1 ARG 41 16.489 -17.032 8.738 335 HH21 ARG 41 1HH2 ARG 41 13.812 -18.885 7.435 336 HH22 ARG 41 2HH2 ARG 41 14.286 -17.436 8.268 337 H ASP 42 H ASP 42 20.408 -20.384 2.966 338 HA ASP 42 HA ASP 42 20.994 -23.195 2.750 339 HB2 ASP 42 2HB ASP 42 22.491 -21.528 1.760 340 HB3 ASP 42 3HB ASP 42 22.754 -20.778 3.323 341 H LEU 43 H LEU 43 20.998 -24.567 4.427 342 HA LEU 43 HA LEU 43 20.334 -23.566 7.059 343 HB2 LEU 43 2HB LEU 43 20.484 -26.409 5.977 344 HB3 LEU 43 3HB LEU 43 19.900 -25.981 7.579 345 HG LEU 43 HG LEU 43 18.606 -25.200 4.932 346 HD11 LEU 43 1HD1 LEU 43 18.237 -27.539 5.537 347 HD12 LEU 43 2HD1 LEU 43 16.746 -26.612 5.656 348 HD13 LEU 43 3HD1 LEU 43 17.629 -27.056 7.122 349 HD21 LEU 43 3HD2 LEU 43 18.327 -23.375 6.508 350 HD22 LEU 43 1HD2 LEU 43 17.755 -24.488 7.755 351 HD23 LEU 43 2HD2 LEU 43 16.800 -24.220 6.296 352 H THR 44 H THR 44 23.299 -24.303 5.631 353 HA THR 44 HA THR 44 24.478 -25.380 8.124 354 HB THR 44 HB THR 44 25.107 -26.636 6.137 355 HG1 THR 44 HG1 THR 44 27.456 -25.233 6.867 356 HG21 THR 44 3HG2 THR 44 24.985 -24.893 4.408 357 HG22 THR 44 1HG2 THR 44 26.546 -25.719 4.374 358 HG23 THR 44 2HG2 THR 44 26.416 -24.110 5.087 359 H ASN 45 H ASN 45 24.536 -22.477 6.091 360 HA ASN 45 HA ASN 45 26.449 -21.147 7.935 361 HB2 ASN 45 2HB ASN 45 25.313 -20.208 5.249 362 HB3 ASN 45 3HB ASN 45 26.437 -19.279 6.239 363 HD21 ASN 45 1HD2 ASN 45 26.611 -20.401 3.487 364 HD22 ASN 45 2HD2 ASN 45 28.098 -21.255 3.464 365 H GLY 46 H GLY 46 23.105 -21.203 6.873 366 HA2 GLY 46 2HA GLY 46 21.233 -20.295 7.952 367 HA3 GLY 46 3HA GLY 46 22.268 -19.284 8.947 368 H LYS 47 H LYS 47 23.281 -19.079 5.768 369 HA LYS 47 HA LYS 47 22.444 -16.354 5.502 370 HB2 LYS 47 2HB LYS 47 23.730 -16.398 3.379 371 HB3 LYS 47 3HB LYS 47 24.673 -17.097 4.689 372 HG2 LYS 47 2HG LYS 47 24.128 -19.352 3.881 373 HG3 LYS 47 3HG LYS 47 23.189 -18.658 2.564 374 HD2 LYS 47 2HD LYS 47 26.162 -18.176 2.964 375 HD3 LYS 47 3HD LYS 47 25.500 -19.448 1.944 376 HE2 LYS 47 2HE LYS 47 25.997 -17.740 0.424 377 HE3 LYS 47 3HE LYS 47 24.270 -17.528 0.697 378 HZ1 LYS 47 3HZ LYS 47 24.762 -15.724 2.213 379 HZ2 LYS 47 1HZ LYS 47 25.496 -15.431 0.718 380 HZ3 LYS 47 2HZ LYS 47 26.420 -15.969 2.022 381 H GLU 48 H GLU 48 20.824 -15.511 4.202 382 HA GLU 48 HA GLU 48 18.901 -17.404 2.964 383 HB2 GLU 48 2HB GLU 48 18.524 -14.573 4.029 384 HB3 GLU 48 3HB GLU 48 17.268 -15.490 3.196 385 HG2 GLU 48 2HG GLU 48 17.270 -17.180 4.961 386 HG3 GLU 48 3HG GLU 48 18.608 -16.373 5.766 387 H ILE 49 H ILE 49 18.846 -17.466 0.848 388 HA ILE 49 HA ILE 49 20.023 -15.294 -0.775 389 HB ILE 49 HB ILE 49 19.691 -18.223 -1.586 390 HG12 ILE 49 2HG1 ILE 49 22.327 -18.122 -1.586 391 HG13 ILE 49 3HG1 ILE 49 22.125 -16.753 -0.502 392 HG21 ILE 49 1HG2 ILE 49 21.056 -15.913 -3.017 393 HG22 ILE 49 2HG2 ILE 49 19.559 -16.715 -3.504 394 HG23 ILE 49 3HG2 ILE 49 21.087 -17.596 -3.550 395 HD11 ILE 49 3HD1 ILE 49 22.567 -18.821 0.705 396 HD12 ILE 49 1HD1 ILE 49 21.131 -19.563 -0.002 397 HD13 ILE 49 2HD1 ILE 49 20.968 -18.193 1.100 398 H TRP 50 H TRP 50 18.426 -14.073 -1.499 399 HA TRP 50 HA TRP 50 15.750 -15.141 -2.105 400 HB2 TRP 50 2HB TRP 50 16.721 -12.244 -1.943 401 HB3 TRP 50 3HB TRP 50 15.042 -12.785 -2.031 402 HD1 TRP 50 HD1 TRP 50 17.883 -12.283 0.469 403 HE1 TRP 50 HE1 TRP 50 17.027 -12.790 2.838 404 HE3 TRP 50 HE3 TRP 50 13.362 -14.294 -0.729 405 HZ2 TRP 50 HZ2 TRP 50 14.735 -13.881 4.037 406 HZ3 TRP 50 HZ3 TRP 50 11.900 -15.044 1.078 407 HH2 TRP 50 HH2 TRP 50 12.560 -14.846 3.419 408 H ASP 51 H ASP 51 14.672 -14.338 -4.105 409 HA ASP 51 HA ASP 51 16.357 -14.446 -6.449 410 HB2 ASP 51 2HB ASP 51 13.402 -13.709 -6.193 411 HB3 ASP 51 3HB ASP 51 14.242 -14.022 -7.711 412 H SER 52 H SER 52 17.577 -12.739 -7.060 413 HA SER 52 HA SER 52 17.135 -10.064 -6.052 414 HB2 SER 52 2HB SER 52 19.158 -11.053 -8.112 415 HB3 SER 52 3HB SER 52 19.212 -9.507 -7.255 416 HG SER 52 HG SER 52 19.201 -12.017 -5.933 417 H LYS 53 H LYS 53 16.337 -11.783 -8.955 418 HA LYS 53 HA LYS 53 15.595 -9.438 -10.517 419 HB2 LYS 53 2HB LYS 53 15.250 -12.422 -11.026 420 HB3 LYS 53 3HB LYS 53 14.716 -11.176 -12.147 421 HG2 LYS 53 2HG LYS 53 17.043 -10.436 -12.459 422 HG3 LYS 53 3HG LYS 53 17.586 -11.652 -11.299 423 HD2 LYS 53 2HD LYS 53 17.930 -12.386 -13.639 424 HD3 LYS 53 3HD LYS 53 16.835 -13.455 -12.764 425 HE2 LYS 53 2HE LYS 53 16.044 -13.031 -15.056 426 HE3 LYS 53 3HE LYS 53 14.899 -12.392 -13.873 427 HZ1 LYS 53 3HZ LYS 53 16.913 -10.813 -15.393 428 HZ2 LYS 53 1HZ LYS 53 15.856 -10.179 -14.239 429 HZ3 LYS 53 2HZ LYS 53 15.249 -10.822 -15.674 430 H TRP 54 H TRP 54 14.168 -11.059 -7.933 431 HA TRP 54 HA TRP 54 11.491 -11.373 -8.739 432 HB2 TRP 54 2HB TRP 54 12.275 -12.368 -6.635 433 HB3 TRP 54 3HB TRP 54 12.598 -10.782 -5.960 434 HD1 TRP 54 HD1 TRP 54 9.767 -13.259 -6.543 435 HE1 TRP 54 HE1 TRP 54 7.655 -12.431 -5.338 436 HE3 TRP 54 HE3 TRP 54 11.354 -8.588 -5.201 437 HZ2 TRP 54 HZ2 TRP 54 6.768 -10.115 -4.013 438 HZ3 TRP 54 HZ3 TRP 54 9.815 -7.125 -3.977 439 HH2 TRP 54 HH2 TRP 54 7.566 -7.874 -3.395 440 H SER 55 H SER 55 9.969 -9.975 -9.152 441 HA SER 55 HA SER 55 9.742 -7.403 -7.868 442 HB2 SER 55 2HB SER 55 9.572 -6.183 -10.063 443 HB3 SER 55 3HB SER 55 11.187 -6.791 -9.734 444 HG SER 55 HG SER 55 9.734 -8.635 -11.100 445 H LEU 56 H LEU 56 7.690 -7.474 -7.219 446 HA LEU 56 HA LEU 56 5.657 -8.838 -8.900 447 HB2 LEU 56 2HB LEU 56 6.151 -9.907 -6.677 448 HB3 LEU 56 3HB LEU 56 5.691 -8.410 -5.883 449 HG LEU 56 HG LEU 56 3.366 -8.724 -7.013 450 HD11 LEU 56 1HD1 LEU 56 2.733 -11.013 -7.589 451 HD12 LEU 56 2HD1 LEU 56 4.402 -11.542 -7.372 452 HD13 LEU 56 3HD1 LEU 56 3.995 -10.404 -8.659 453 HD21 LEU 56 3HD2 LEU 56 4.234 -10.676 -4.870 454 HD22 LEU 56 1HD2 LEU 56 2.573 -10.187 -5.222 455 HD23 LEU 56 2HD2 LEU 56 3.730 -9.003 -4.618 456 H THR 57 H THR 57 3.877 -7.653 -9.413 457 HA THR 57 HA THR 57 3.578 -4.944 -8.265 458 HB THR 57 HB THR 57 3.899 -5.153 -10.795 459 HG1 THR 57 HG1 THR 57 3.029 -3.295 -9.944 460 HG21 THR 57 3HG2 THR 57 1.042 -6.231 -10.723 461 HG22 THR 57 1HG2 THR 57 2.472 -7.134 -11.235 462 HG23 THR 57 2HG2 THR 57 1.929 -5.741 -12.169 463 H GLN 58 H GLN 58 1.365 -4.299 -7.664 464 HA GLN 58 HA GLN 58 -0.622 -6.440 -7.409 465 HB2 GLN 58 2HB GLN 58 1.086 -6.265 -5.326 466 HB3 GLN 58 3HB GLN 58 0.003 -4.973 -4.837 467 HG2 GLN 58 2HG GLN 58 -0.653 -6.996 -3.725 468 HG3 GLN 58 3HG GLN 58 -1.894 -6.612 -4.920 469 HE21 GLN 58 1HE2 GLN 58 0.810 -8.722 -4.171 470 HE22 GLN 58 2HE2 GLN 58 0.378 -9.978 -5.276 471 H THR 59 H THR 59 -2.724 -5.672 -7.005 472 HA THR 59 HA THR 59 -3.151 -3.233 -8.444 473 HB THR 59 HB THR 59 -5.204 -5.209 -7.364 474 HG1 THR 59 HG1 THR 59 -5.063 -5.923 -9.679 475 HG21 THR 59 3HG2 THR 59 -6.192 -3.048 -8.078 476 HG22 THR 59 1HG2 THR 59 -6.661 -4.371 -9.146 477 HG23 THR 59 2HG2 THR 59 -5.423 -3.225 -9.658 478 H PHE 60 H PHE 60 -3.078 -1.334 -7.302 479 HA PHE 60 HA PHE 60 -4.733 -1.036 -4.850 480 HB2 PHE 60 2HB PHE 60 -2.447 0.592 -5.989 481 HB3 PHE 60 3HB PHE 60 -3.641 1.407 -4.995 482 HD1 PHE 60 HD1 PHE 60 -4.200 0.059 -2.704 483 HD2 PHE 60 HD2 PHE 60 -0.531 -0.116 -4.874 484 HE1 PHE 60 HE1 PHE 60 -3.004 -0.560 -0.648 485 HE2 PHE 60 HE2 PHE 60 0.657 -0.740 -2.821 486 HZ PHE 60 HZ PHE 60 -0.580 -0.963 -0.708 487 H GLU 61 H GLU 61 -6.802 -0.822 -5.577 488 HA GLU 61 HA GLU 61 -7.685 1.687 -6.516 489 HB2 GLU 61 2HB GLU 61 -8.643 1.103 -8.687 490 HB3 GLU 61 3HB GLU 61 -6.914 0.776 -8.728 491 HG2 GLU 61 2HG GLU 61 -7.363 -1.633 -8.382 492 HG3 GLU 61 3HG GLU 61 -9.095 -1.308 -8.354 493 H ALA 62 H ALA 62 -10.192 1.184 -7.385 494 HA ALA 62 HA ALA 62 -12.288 0.435 -6.985 495 HB1 ALA 62 3HB ALA 62 -11.398 -1.841 -7.316 496 HB2 ALA 62 1HB ALA 62 -12.683 -1.820 -6.104 497 HB3 ALA 62 2HB ALA 62 -10.996 -1.942 -5.601 498 H LEU 63 H LEU 63 -10.623 2.049 -4.967 499 HA LEU 63 HA LEU 63 -12.208 1.675 -2.530 500 HB2 LEU 63 2HB LEU 63 -9.841 3.430 -3.192 501 HB3 LEU 63 3HB LEU 63 -10.828 3.770 -1.796 502 HG LEU 63 HG LEU 63 -9.037 2.594 -0.871 503 HD11 LEU 63 1HD1 LEU 63 -11.173 1.675 -0.115 504 HD12 LEU 63 2HD1 LEU 63 -9.907 0.447 -0.096 505 HD13 LEU 63 3HD1 LEU 63 -11.121 0.445 -1.381 506 HD21 LEU 63 3HD2 LEU 63 -7.987 1.875 -2.985 507 HD22 LEU 63 1HD2 LEU 63 -9.151 0.556 -3.127 508 HD23 LEU 63 2HD2 LEU 63 -7.994 0.579 -1.788 509 HA PRO 64 HA PRO 64 -14.986 4.997 -4.076 510 HB2 PRO 64 2HB PRO 64 -17.226 4.164 -2.804 511 HB3 PRO 64 3HB PRO 64 -16.603 3.278 -4.211 512 HG2 PRO 64 2HG PRO 64 -16.397 2.591 -1.313 513 HG3 PRO 64 3HG PRO 64 -16.644 1.525 -2.709 514 HD2 PRO 64 2HD PRO 64 -14.178 1.982 -1.449 515 HD3 PRO 64 3HD PRO 64 -14.398 1.276 -3.064 516 H SER 65 H SER 65 -16.994 5.771 -2.005 517 HA SER 65 HA SER 65 -15.698 6.333 0.504 518 HB2 SER 65 2HB SER 65 -15.861 8.527 -1.571 519 HB3 SER 65 3HB SER 65 -16.215 8.966 0.105 520 HG SER 65 HG SER 65 -13.910 7.476 -0.460 521 HA PRO 66 HA PRO 66 -20.031 6.815 1.812 522 HB2 PRO 66 2HB PRO 66 -19.849 8.873 3.686 523 HB3 PRO 66 3HB PRO 66 -19.417 7.188 4.037 524 HG2 PRO 66 2HG PRO 66 -17.618 9.480 3.314 525 HG3 PRO 66 3HG PRO 66 -17.400 8.231 4.564 526 HD2 PRO 66 2HD PRO 66 -16.117 8.072 2.208 527 HD3 PRO 66 3HD PRO 66 -16.725 6.606 3.012 528 H VAL 67 H VAL 67 -21.510 7.775 0.513 529 HA VAL 67 HA VAL 67 -21.106 10.266 -0.849 530 HB VAL 67 HB VAL 67 -23.767 8.803 -0.450 531 HG11 VAL 67 1HG1 VAL 67 -24.015 11.125 -1.235 532 HG12 VAL 67 2HG1 VAL 67 -24.464 9.991 -2.510 533 HG13 VAL 67 3HG1 VAL 67 -22.902 10.811 -2.571 534 HG21 VAL 67 3HG2 VAL 67 -22.078 7.284 -1.446 535 HG22 VAL 67 1HG2 VAL 67 -21.791 8.455 -2.735 536 HG23 VAL 67 2HG2 VAL 67 -23.366 7.672 -2.589 537 H ILE 68 H ILE 68 -21.016 12.086 0.352 538 HA ILE 68 HA ILE 68 -22.727 12.381 2.740 539 HB ILE 68 HB ILE 68 -20.294 14.032 1.903 540 HG12 ILE 68 2HG1 ILE 68 -20.560 11.801 3.974 541 HG13 ILE 68 3HG1 ILE 68 -19.650 11.712 2.473 542 HG21 ILE 68 1HG2 ILE 68 -21.866 14.013 4.505 543 HG22 ILE 68 2HG2 ILE 68 -21.875 15.304 3.298 544 HG23 ILE 68 3HG2 ILE 68 -20.399 14.944 4.196 545 HD11 ILE 68 3HD1 ILE 68 -18.106 13.411 3.314 546 HD12 ILE 68 1HD1 ILE 68 -18.189 12.001 4.367 547 HD13 ILE 68 2HD1 ILE 68 -19.016 13.492 4.826 548 H ILE 69 H ILE 69 -24.443 13.662 2.642 549 HA ILE 69 HA ILE 69 -25.288 14.747 0.138 550 HB ILE 69 HB ILE 69 -26.599 14.824 2.891 551 HG12 ILE 69 2HG1 ILE 69 -26.273 12.517 2.113 552 HG13 ILE 69 3HG1 ILE 69 -27.982 12.920 2.046 553 HG21 ILE 69 1HG2 ILE 69 -27.857 15.423 0.187 554 HG22 ILE 69 2HG2 ILE 69 -27.560 16.584 1.485 555 HG23 ILE 69 3HG2 ILE 69 -28.726 15.282 1.717 556 HD11 ILE 69 3HD1 ILE 69 -26.083 12.791 -0.302 557 HD12 ILE 69 1HD1 ILE 69 -27.790 13.239 -0.396 558 HD13 ILE 69 2HD1 ILE 69 -27.327 11.618 0.120 559 H GLY 70 H GLY 70 -25.260 16.797 -0.571 560 HA2 GLY 70 2HA GLY 70 -25.044 19.104 -0.609 561 HA3 GLY 70 3HA GLY 70 -24.868 19.112 1.140 562 H TYR 71 H TYR 71 -22.802 16.811 -0.075 563 HA TYR 71 HA TYR 71 -20.495 18.655 -0.252 564 HB2 TYR 71 2HB TYR 71 -20.744 16.080 1.361 565 HB3 TYR 71 3HB TYR 71 -19.186 16.792 0.955 566 HD1 TYR 71 HD1 TYR 71 -22.335 17.379 2.879 567 HD2 TYR 71 HD2 TYR 71 -18.317 18.648 2.208 568 HE1 TYR 71 HE1 TYR 71 -22.447 18.804 4.880 569 HE2 TYR 71 HE2 TYR 71 -18.434 20.066 4.199 570 HH TYR 71 HH TYR 71 -20.142 21.199 5.564 571 H THR 72 H THR 72 -18.695 17.818 -1.346 572 HA THR 72 HA THR 72 -18.892 15.383 -2.947 573 HB THR 72 HB THR 72 -18.407 18.174 -4.100 574 HG1 THR 72 HG1 THR 72 -20.569 16.538 -4.003 575 HG21 THR 72 3HG2 THR 72 -18.084 15.496 -5.505 576 HG22 THR 72 1HG2 THR 72 -16.786 16.633 -5.127 577 HG23 THR 72 2HG2 THR 72 -18.034 17.073 -6.294 578 H ALA 73 H ALA 73 -16.898 14.400 -3.048 579 HA ALA 73 HA ALA 73 -14.811 15.284 -1.317 580 HB1 ALA 73 3HB ALA 73 -13.626 13.233 -2.045 581 HB2 ALA 73 1HB ALA 73 -14.851 12.978 -3.293 582 HB3 ALA 73 2HB ALA 73 -15.297 12.899 -1.589 583 H ASP 74 H ASP 74 -12.928 16.157 -1.765 584 HA ASP 74 HA ASP 74 -12.328 17.698 -4.066 585 HB2 ASP 74 2HB ASP 74 -11.727 18.291 -1.731 586 HB3 ASP 74 3HB ASP 74 -10.667 16.898 -1.628 587 H LYS 75 H LYS 75 -11.698 14.463 -3.151 588 HA LYS 75 HA LYS 75 -10.423 13.842 -5.666 589 HB2 LYS 75 2HB LYS 75 -8.694 12.372 -4.496 590 HB3 LYS 75 3HB LYS 75 -8.398 14.098 -4.448 591 HG2 LYS 75 2HG LYS 75 -9.695 12.662 -2.117 592 HG3 LYS 75 3HG LYS 75 -7.943 12.705 -2.323 593 HD2 LYS 75 2HD LYS 75 -9.550 15.283 -2.308 594 HD3 LYS 75 3HD LYS 75 -9.157 14.495 -0.794 595 HE2 LYS 75 2HE LYS 75 -7.552 16.247 -1.266 596 HE3 LYS 75 3HE LYS 75 -6.752 14.678 -1.330 597 HZ1 LYS 75 3HZ LYS 75 -7.671 16.229 -3.690 598 HZ2 LYS 75 1HZ LYS 75 -6.816 14.766 -3.725 599 HZ3 LYS 75 2HZ LYS 75 -6.081 16.161 -3.124 600 HA PRO 76 HA PRO 76 -13.628 10.820 -4.297 601 HB2 PRO 76 2HB PRO 76 -15.392 11.138 -6.285 602 HB3 PRO 76 3HB PRO 76 -15.169 12.441 -5.095 603 HG2 PRO 76 2HG PRO 76 -14.037 12.213 -7.871 604 HG3 PRO 76 3HG PRO 76 -14.792 13.618 -7.083 605 HD2 PRO 76 2HD PRO 76 -12.041 13.180 -7.236 606 HD3 PRO 76 3HD PRO 76 -12.837 14.228 -6.037 607 H MET 77 H MET 77 -11.117 10.442 -6.242 608 HA MET 77 HA MET 77 -11.914 7.687 -6.757 609 HB2 MET 77 2HB MET 77 -12.306 8.891 -8.920 610 HB3 MET 77 3HB MET 77 -10.613 9.381 -8.945 611 HG2 MET 77 2HG MET 77 -11.119 7.418 -10.391 612 HG3 MET 77 3HG MET 77 -9.901 7.064 -9.161 613 HE1 MET 77 3HE MET 77 -11.363 4.628 -10.625 614 HE2 MET 77 1HE MET 77 -11.729 3.620 -9.229 615 HE3 MET 77 2HE MET 77 -10.182 4.465 -9.325 616 H VAL 78 H VAL 78 -10.261 6.254 -6.421 617 HA VAL 78 HA VAL 78 -7.516 7.286 -6.662 618 HB VAL 78 HB VAL 78 -8.364 6.668 -4.175 619 HG11 VAL 78 1HG1 VAL 78 -7.275 3.985 -5.067 620 HG12 VAL 78 2HG1 VAL 78 -8.928 4.322 -4.556 621 HG13 VAL 78 3HG1 VAL 78 -7.606 4.470 -3.397 622 HG21 VAL 78 3HG2 VAL 78 -5.606 6.126 -5.264 623 HG22 VAL 78 1HG2 VAL 78 -6.003 6.341 -3.553 624 HG23 VAL 78 2HG2 VAL 78 -6.262 7.673 -4.690 625 H GLY 79 H GLY 79 -6.212 6.103 -7.827 626 HA2 GLY 79 2HA GLY 79 -6.549 3.306 -8.372 627 HA3 GLY 79 3HA GLY 79 -6.941 4.339 -9.753 628 HA PRO 80 HA PRO 80 -2.065 4.744 -8.886 629 HB2 PRO 80 2HB PRO 80 -1.886 2.489 -6.878 630 HB3 PRO 80 3HB PRO 80 -0.934 3.987 -6.984 631 HG2 PRO 80 2HG PRO 80 -2.799 3.747 -5.109 632 HG3 PRO 80 3HG PRO 80 -2.602 5.292 -5.978 633 HD2 PRO 80 2HD PRO 80 -4.668 3.134 -6.402 634 HD3 PRO 80 3HD PRO 80 -4.878 4.900 -6.373 635 H ASP 81 H ASP 81 -4.235 2.079 -8.911 636 HA ASP 81 HA ASP 81 -4.767 0.522 -10.396 637 HB2 ASP 81 2HB ASP 81 -3.994 2.072 -12.186 638 HB3 ASP 81 3HB ASP 81 -2.355 1.453 -12.019 639 H GLU 82 H GLU 82 -1.282 0.492 -10.645 640 HA GLU 82 HA GLU 82 -1.070 -1.927 -8.958 641 HB2 GLU 82 2HB GLU 82 0.218 -1.617 -11.706 642 HB3 GLU 82 3HB GLU 82 0.579 -2.897 -10.558 643 HG2 GLU 82 2HG GLU 82 -1.731 -3.722 -10.717 644 HG3 GLU 82 3HG GLU 82 -2.105 -2.440 -11.874 645 H VAL 83 H VAL 83 0.553 -1.785 -7.530 646 HA VAL 83 HA VAL 83 2.789 0.125 -7.988 647 HB VAL 83 HB VAL 83 1.589 -0.895 -5.359 648 HG11 VAL 83 1HG1 VAL 83 4.187 0.656 -5.695 649 HG12 VAL 83 2HG1 VAL 83 4.031 -0.996 -5.096 650 HG13 VAL 83 3HG1 VAL 83 3.378 0.346 -4.156 651 HG21 VAL 83 3HG2 VAL 83 1.985 1.918 -6.458 652 HG22 VAL 83 1HG2 VAL 83 1.281 1.522 -4.886 653 HG23 VAL 83 2HG2 VAL 83 0.454 1.043 -6.369 654 H THR 84 H THR 84 4.711 -0.778 -8.409 655 HA THR 84 HA THR 84 5.044 -3.691 -8.112 656 HB THR 84 HB THR 84 6.698 -1.718 -9.750 657 HG1 THR 84 HG1 THR 84 5.415 -2.212 -11.426 658 HG21 THR 84 3HG2 THR 84 7.573 -3.727 -10.903 659 HG22 THR 84 1HG2 THR 84 6.640 -4.766 -9.824 660 HG23 THR 84 2HG2 THR 84 7.958 -3.782 -9.182 661 H VAL 85 H VAL 85 6.225 -4.384 -6.438 662 HA VAL 85 HA VAL 85 8.423 -2.733 -5.335 663 HB VAL 85 HB VAL 85 7.012 -5.171 -4.141 664 HG11 VAL 85 1HG1 VAL 85 8.297 -4.718 -2.073 665 HG12 VAL 85 2HG1 VAL 85 9.211 -3.463 -2.910 666 HG13 VAL 85 3HG1 VAL 85 9.359 -5.148 -3.415 667 HG21 VAL 85 3HG2 VAL 85 6.132 -3.561 -2.482 668 HG22 VAL 85 1HG2 VAL 85 5.604 -3.185 -4.126 669 HG23 VAL 85 2HG2 VAL 85 6.897 -2.242 -3.377 670 H ASP 86 H ASP 86 10.351 -3.218 -6.066 671 HA ASP 86 HA ASP 86 11.094 -5.816 -7.209 672 HB2 ASP 86 2HB ASP 86 12.563 -3.164 -6.871 673 HB3 ASP 86 3HB ASP 86 13.364 -4.608 -7.473 674 H SER 87 H SER 87 12.970 -6.997 -6.349 675 HA SER 87 HA SER 87 13.281 -7.194 -3.554 676 HB2 SER 87 2HB SER 87 15.189 -8.026 -5.780 677 HB3 SER 87 3HB SER 87 15.335 -8.530 -4.089 678 HG SER 87 HG SER 87 14.073 -10.073 -4.698 679 H LYS 88 H LYS 88 14.764 -5.168 -5.915 680 HA LYS 88 HA LYS 88 17.034 -4.211 -4.592 681 HB2 LYS 88 2HB LYS 88 15.242 -2.706 -6.548 682 HB3 LYS 88 3HB LYS 88 16.935 -2.359 -6.198 683 HG2 LYS 88 2HG LYS 88 17.659 -4.419 -7.232 684 HG3 LYS 88 3HG LYS 88 15.993 -4.979 -7.419 685 HD2 LYS 88 2HD LYS 88 15.558 -3.105 -8.998 686 HD3 LYS 88 3HD LYS 88 17.232 -2.571 -8.819 687 HE2 LYS 88 2HE LYS 88 17.988 -4.744 -9.755 688 HE3 LYS 88 3HE LYS 88 16.299 -5.213 -9.975 689 HZ1 LYS 88 3HZ LYS 88 17.222 -4.349 -12.015 690 HZ2 LYS 88 1HZ LYS 88 17.643 -2.899 -11.264 691 HZ3 LYS 88 2HZ LYS 88 16.017 -3.312 -11.457 692 H ASN 89 H ASN 89 13.654 -2.955 -4.618 693 HA ASN 89 HA ASN 89 14.319 -0.989 -2.516 694 HB2 ASN 89 2HB ASN 89 12.211 0.132 -3.064 695 HB3 ASN 89 3HB ASN 89 13.191 -0.059 -4.509 696 HD21 ASN 89 1HD2 ASN 89 11.190 0.369 -5.639 697 HD22 ASN 89 2HD2 ASN 89 10.056 -0.898 -5.906 698 H PHE 90 H PHE 90 13.493 -4.081 -2.456 699 HA PHE 90 HA PHE 90 10.950 -4.316 -1.293 700 HB2 PHE 90 2HB PHE 90 12.119 -6.164 -2.432 701 HB3 PHE 90 3HB PHE 90 13.310 -6.239 -1.141 702 HD1 PHE 90 HD2 PHE 90 9.728 -6.809 -1.975 703 HD2 PHE 90 HD1 PHE 90 12.848 -7.469 0.863 704 HE1 PHE 90 HE2 PHE 90 8.310 -8.433 -0.791 705 HE2 PHE 90 HE1 PHE 90 11.434 -9.079 2.031 706 HZ PHE 90 HZ PHE 90 9.161 -9.572 1.219 707 H LEU 91 H LEU 91 14.102 -3.835 0.232 708 HA LEU 91 HA LEU 91 13.338 -4.648 2.855 709 HB2 LEU 91 2HB LEU 91 15.631 -2.886 1.915 710 HB3 LEU 91 3HB LEU 91 15.417 -3.387 3.584 711 HG LEU 91 HG LEU 91 17.080 -4.829 2.664 712 HD11 LEU 91 1HD1 LEU 91 14.474 -6.380 2.730 713 HD12 LEU 91 2HD1 LEU 91 15.507 -5.984 4.106 714 HD13 LEU 91 3HD1 LEU 91 16.099 -7.070 2.852 715 HD21 LEU 91 3HD2 LEU 91 16.678 -4.439 0.262 716 HD22 LEU 91 1HD2 LEU 91 15.249 -5.475 0.322 717 HD23 LEU 91 2HD2 LEU 91 16.853 -6.156 0.616 718 H ASP 92 H ASP 92 13.100 -1.688 1.056 719 HA ASP 92 HA ASP 92 11.892 -0.192 3.283 720 HB2 ASP 92 2HB ASP 92 13.470 0.991 1.755 721 HB3 ASP 92 3HB ASP 92 12.464 0.580 0.374 722 H LYS 93 H LYS 93 9.682 0.606 3.076 723 HA LYS 93 HA LYS 93 7.983 -0.760 1.057 724 HB2 LYS 93 2HB LYS 93 6.098 -0.622 2.682 725 HB3 LYS 93 3HB LYS 93 7.425 -1.609 3.282 726 HG2 LYS 93 2HG LYS 93 8.163 0.225 4.735 727 HG3 LYS 93 3HG LYS 93 6.880 1.255 4.101 728 HD2 LYS 93 2HD LYS 93 6.202 0.346 6.279 729 HD3 LYS 93 3HD LYS 93 5.171 -0.320 5.011 730 HE2 LYS 93 2HE LYS 93 6.578 -2.383 5.019 731 HE3 LYS 93 3HE LYS 93 7.510 -1.721 6.361 732 HZ1 LYS 93 3HZ LYS 93 5.516 -1.735 7.709 733 HZ2 LYS 93 1HZ LYS 93 5.796 -3.281 7.092 734 HZ3 LYS 93 2HZ LYS 93 4.594 -2.304 6.417 735 H GLN 94 H GLN 94 6.630 0.497 -0.101 736 HA GLN 94 HA GLN 94 6.890 3.422 0.154 737 HB2 GLN 94 2HB GLN 94 5.858 3.476 -2.163 738 HB3 GLN 94 3HB GLN 94 7.458 2.770 -2.060 739 HG2 GLN 94 2HG GLN 94 5.002 1.023 -2.061 740 HG3 GLN 94 3HG GLN 94 5.667 1.643 -3.568 741 HE21 GLN 94 1HE2 GLN 94 7.724 0.893 -4.250 742 HE22 GLN 94 2HE2 GLN 94 8.436 -0.543 -3.604 743 H ASN 95 H ASN 95 5.350 1.985 1.995 744 HA ASN 95 HA ASN 95 2.613 2.206 1.880 745 HB2 ASN 95 2HB ASN 95 2.672 2.547 4.303 746 HB3 ASN 95 3HB ASN 95 3.943 1.413 3.875 747 HD21 ASN 95 1HD2 ASN 95 5.895 3.385 2.977 748 HD22 ASN 95 2HD2 ASN 95 6.415 4.231 4.386 749 H ARG 96 H ARG 96 1.148 3.985 2.449 750 HA ARG 96 HA ARG 96 2.177 6.701 2.229 751 HB2 ARG 96 2HB ARG 96 2.033 5.696 -0.132 752 HB3 ARG 96 3HB ARG 96 0.284 5.651 0.081 753 HG2 ARG 96 2HG ARG 96 0.449 8.179 0.573 754 HG3 ARG 96 3HG ARG 96 2.091 8.077 -0.077 755 HD2 ARG 96 2HD ARG 96 0.539 8.795 -1.804 756 HD3 ARG 96 3HD ARG 96 1.156 7.186 -2.200 757 HE ARG 96 HE ARG 96 -1.132 6.628 -0.864 758 HH11 ARG 96 1HH1 ARG 96 -0.499 8.812 -3.540 759 HH12 ARG 96 2HH1 ARG 96 -2.087 8.641 -4.217 760 HH21 ARG 96 2HH2 ARG 96 -3.234 6.388 -1.811 761 HH22 ARG 96 1HH2 ARG 96 -3.619 7.282 -3.246 762 H GLU 97 H GLU 97 1.059 7.766 3.666 763 HA GLU 97 HA GLU 97 -1.788 7.176 4.228 764 HB2 GLU 97 2HB GLU 97 -0.231 7.002 6.180 765 HB3 GLU 97 3HB GLU 97 0.260 8.671 5.955 766 HG2 GLU 97 2HG GLU 97 -2.623 7.927 6.498 767 HG3 GLU 97 3HG GLU 97 -1.474 8.129 7.812 768 H GLU 98 H GLU 98 -3.024 8.457 3.045 769 HA GLU 98 HA GLU 98 -2.370 11.325 2.695 770 HB2 GLU 98 2HB GLU 98 -3.869 9.514 0.759 771 HB3 GLU 98 3HB GLU 98 -3.529 11.223 0.527 772 HG2 GLU 98 2HG GLU 98 -1.495 8.992 0.630 773 HG3 GLU 98 3HG GLU 98 -2.045 9.829 -0.817 774 H THR 99 H THR 99 -4.395 12.573 2.159 775 HA THR 99 HA THR 99 -6.725 11.695 3.798 776 HB THR 99 HB THR 99 -5.431 14.461 3.808 777 HG1 THR 99 HG1 THR 99 -4.571 12.447 5.061 778 HG21 THR 99 3HG2 THR 99 -7.869 14.655 4.105 779 HG22 THR 99 1HG2 THR 99 -7.036 14.990 5.626 780 HG23 THR 99 2HG2 THR 99 -7.823 13.431 5.376 781 H VAL 100 H VAL 100 -8.705 11.975 2.860 782 HA VAL 100 HA VAL 100 -8.959 13.613 0.454 783 HB VAL 100 HB VAL 100 -10.944 12.478 -0.146 784 HG11 VAL 100 1HG1 VAL 100 -10.289 10.100 -0.214 785 HG12 VAL 100 2HG1 VAL 100 -9.057 10.410 1.014 786 HG13 VAL 100 3HG1 VAL 100 -8.938 11.180 -0.570 787 HG21 VAL 100 3HG2 VAL 100 -12.117 12.438 2.007 788 HG22 VAL 100 1HG2 VAL 100 -11.070 11.134 2.576 789 HG23 VAL 100 2HG2 VAL 100 -12.177 10.861 1.217 790 H ILE 101 H ILE 101 -10.406 15.286 0.304 791 HA ILE 101 HA ILE 101 -11.385 16.417 2.866 792 HB ILE 101 HB ILE 101 -10.406 17.893 0.381 793 HG12 ILE 101 2HG1 ILE 101 -8.550 16.875 1.670 794 HG13 ILE 101 3HG1 ILE 101 -8.502 18.630 1.791 795 HG21 ILE 101 1HG2 ILE 101 -12.194 19.171 1.437 796 HG22 ILE 101 2HG2 ILE 101 -10.644 19.967 1.718 797 HG23 ILE 101 3HG2 ILE 101 -11.402 19.033 3.010 798 HD11 ILE 101 3HD1 ILE 101 -9.492 16.704 3.893 799 HD12 ILE 101 1HD1 ILE 101 -9.540 18.466 4.037 800 HD13 ILE 101 2HD1 ILE 101 -7.992 17.627 3.916 801 H TYR 102 H TYR 102 -13.555 16.331 2.988 802 HA TYR 102 HA TYR 102 -15.229 16.311 0.611 803 HB2 TYR 102 2HB TYR 102 -15.986 16.019 3.552 804 HB3 TYR 102 3HB TYR 102 -17.092 15.856 2.191 805 HD1 TYR 102 HD1 TYR 102 -16.658 13.965 0.489 806 HD2 TYR 102 HD2 TYR 102 -14.747 14.124 4.307 807 HE1 TYR 102 HE1 TYR 102 -16.145 11.561 0.334 808 HE2 TYR 102 HE2 TYR 102 -14.232 11.731 4.150 809 HH TYR 102 HH TYR 102 -14.529 9.960 1.268 810 H SER 103 H SER 103 -15.488 18.256 -0.207 811 HA SER 103 HA SER 103 -15.813 20.648 1.478 812 HB2 SER 103 2HB SER 103 -15.298 20.384 -1.526 813 HB3 SER 103 3HB SER 103 -15.262 21.878 -0.576 814 HG SER 103 HG SER 103 -13.385 19.814 -0.734 815 H ALA 104 H ALA 104 -17.516 22.213 0.365 816 HA ALA 104 HA ALA 104 -20.071 21.007 0.296 817 HB1 ALA 104 3HB ALA 104 -19.236 23.707 -0.807 818 HB2 ALA 104 1HB ALA 104 -19.760 23.385 0.844 819 HB3 ALA 104 2HB ALA 104 -20.895 23.194 -0.497 820 H ASN 105 H ASN 105 -21.554 21.011 -1.583 821 HA ASN 105 HA ASN 105 -20.693 19.045 -3.312 822 HB2 ASN 105 2HB ASN 105 -23.100 19.711 -2.604 823 HB3 ASN 105 3HB ASN 105 -23.062 20.829 -3.958 824 HD21 ASN 105 1HD2 ASN 105 -23.034 17.451 -3.036 825 HD22 ASN 105 2HD2 ASN 105 -23.514 16.835 -4.578 826 H THR 106 H THR 106 -20.944 19.069 -5.776 827 HA THR 106 HA THR 106 -18.752 20.151 -6.942 828 HB THR 106 HB THR 106 -20.053 18.307 -7.903 829 HG1 THR 106 HG1 THR 106 -18.692 19.993 -9.230 830 HG21 THR 106 3HG2 THR 106 -22.333 19.259 -7.585 831 HG22 THR 106 1HG2 THR 106 -22.063 18.684 -9.236 832 HG23 THR 106 2HG2 THR 106 -22.013 20.410 -8.886 833 H ILE 107 H ILE 107 -21.735 21.875 -6.506 834 HA ILE 107 HA ILE 107 -21.788 24.048 -8.106 835 HB ILE 107 HB ILE 107 -21.919 24.221 -5.055 836 HG12 ILE 107 2HG1 ILE 107 -24.287 23.641 -6.903 837 HG13 ILE 107 3HG1 ILE 107 -23.400 22.385 -6.043 838 HG21 ILE 107 1HG2 ILE 107 -23.442 26.138 -5.408 839 HG22 ILE 107 2HG2 ILE 107 -23.234 25.981 -7.151 840 HG23 ILE 107 3HG2 ILE 107 -21.855 26.426 -6.141 841 HD11 ILE 107 3HD1 ILE 107 -25.430 22.958 -4.857 842 HD12 ILE 107 1HD1 ILE 107 -24.933 24.650 -4.759 843 HD13 ILE 107 2HD1 ILE 107 -24.017 23.406 -3.905 844 H THR 108 H THR 108 -19.826 23.982 -5.077 845 HA THR 108 HA THR 108 -18.101 26.131 -6.164 846 HB THR 108 HB THR 108 -19.516 26.625 -4.097 847 HG1 THR 108 HG1 THR 108 -16.986 27.029 -3.142 848 HG21 THR 108 3HG2 THR 108 -18.712 25.855 -1.911 849 HG22 THR 108 1HG2 THR 108 -17.500 24.837 -2.678 850 HG23 THR 108 2HG2 THR 108 -19.217 24.469 -2.882 851 H GLN 109 H GLN 109 -18.067 22.853 -5.624 852 HA GLN 109 HA GLN 109 -15.697 22.360 -4.204 853 HB2 GLN 109 2HB GLN 109 -17.782 20.813 -5.136 854 HB3 GLN 109 3HB GLN 109 -16.524 20.334 -6.258 855 HG2 GLN 109 2HG GLN 109 -16.416 20.151 -3.252 856 HG3 GLN 109 3HG GLN 109 -16.693 18.816 -4.358 857 HE21 GLN 109 1HE2 GLN 109 -14.928 18.164 -5.751 858 HE22 GLN 109 2HE2 GLN 109 -13.297 18.437 -5.253 859 H ASN 110 H ASN 110 -13.605 22.063 -4.842 860 HA ASN 110 HA ASN 110 -12.827 22.269 -7.696 861 HB2 ASN 110 2HB ASN 110 -11.589 23.728 -5.316 862 HB3 ASN 110 3HB ASN 110 -10.735 23.499 -6.837 863 HD21 ASN 110 1HD2 ASN 110 -13.382 25.132 -5.277 864 HD22 ASN 110 2HD2 ASN 110 -13.664 26.290 -6.525 865 H LYS 111 H LYS 111 -10.788 21.294 -8.149 866 HA LYS 111 HA LYS 111 -9.378 19.565 -8.263 867 HB2 LYS 111 2HB LYS 111 -9.683 19.288 -5.250 868 HB3 LYS 111 3HB LYS 111 -8.479 18.462 -6.228 869 HG2 LYS 111 2HG LYS 111 -8.652 21.458 -5.790 870 HG3 LYS 111 3HG LYS 111 -7.526 20.349 -5.001 871 HD2 LYS 111 2HD LYS 111 -6.714 19.738 -7.362 872 HD3 LYS 111 3HD LYS 111 -7.628 21.146 -7.926 873 HE2 LYS 111 2HE LYS 111 -5.395 21.203 -5.860 874 HE3 LYS 111 3HE LYS 111 -5.225 21.654 -7.557 875 HZ1 LYS 111 3HZ LYS 111 -6.790 23.448 -7.210 876 HZ2 LYS 111 1HZ LYS 111 -5.508 23.582 -6.116 877 HZ3 LYS 111 2HZ LYS 111 -7.004 22.995 -5.596 878 H LYS 112 H LYS 112 -9.335 17.311 -8.446 879 HA LYS 112 HA LYS 112 -11.244 15.581 -7.237 880 HB2 LYS 112 2HB LYS 112 -12.232 14.754 -9.467 881 HB3 LYS 112 3HB LYS 112 -12.843 16.287 -8.861 882 HG2 LYS 112 2HG LYS 112 -11.282 17.469 -10.419 883 HG3 LYS 112 3HG LYS 112 -10.820 15.898 -11.085 884 HD2 LYS 112 2HD LYS 112 -13.137 15.505 -11.829 885 HD3 LYS 112 3HD LYS 112 -13.651 17.025 -11.088 886 HE2 LYS 112 2HE LYS 112 -12.194 18.276 -12.647 887 HE3 LYS 112 3HE LYS 112 -11.675 16.756 -13.376 888 HZ1 LYS 112 3HZ LYS 112 -13.399 17.848 -14.678 889 HZ2 LYS 112 1HZ LYS 112 -14.466 17.780 -13.367 890 HZ3 LYS 112 2HZ LYS 112 -13.937 16.354 -14.100 891 H ASP 113 H ASP 113 -9.217 15.853 -10.152 892 HA ASP 113 HA ASP 113 -7.503 14.668 -10.990 893 HB2 ASP 113 2HB ASP 113 -6.606 14.727 -8.089 894 HB3 ASP 113 3HB ASP 113 -5.546 14.534 -9.482 895 H GLY 114 H GLY 114 -7.487 13.029 -7.859 896 HA2 GLY 114 2HA GLY 114 -8.218 10.745 -7.561 897 HA3 GLY 114 3HA GLY 114 -7.693 10.400 -9.210 898 H LEU 115 H LEU 115 -6.374 11.783 -6.201 899 HA LEU 115 HA LEU 115 -3.815 10.373 -6.668 900 HB2 LEU 115 2HB LEU 115 -4.374 12.647 -4.719 901 HB3 LEU 115 3HB LEU 115 -2.810 11.955 -5.102 902 HG LEU 115 HG LEU 115 -4.536 13.577 -7.015 903 HD11 LEU 115 1HD1 LEU 115 -2.840 15.331 -6.798 904 HD12 LEU 115 2HD1 LEU 115 -1.964 14.369 -5.604 905 HD13 LEU 115 3HD1 LEU 115 -3.585 14.971 -5.241 906 HD21 LEU 115 3HD2 LEU 115 -1.747 12.449 -7.444 907 HD22 LEU 115 1HD2 LEU 115 -2.603 13.537 -8.542 908 HD23 LEU 115 2HD2 LEU 115 -3.229 11.918 -8.245 909 H GLU 116 H GLU 116 -6.224 11.119 -4.111 910 HA GLU 116 HA GLU 116 -5.736 8.465 -2.917 911 HB2 GLU 116 2HB GLU 116 -5.954 9.370 -0.634 912 HB3 GLU 116 3HB GLU 116 -4.507 9.925 -1.458 913 HG2 GLU 116 2HG GLU 116 -7.012 11.613 -1.299 914 HG3 GLU 116 3HG GLU 116 -5.793 11.623 -0.027 915 H HIS 117 H HIS 117 -7.485 7.596 -1.712 916 HA HIS 117 HA HIS 117 -10.001 8.725 -1.225 917 HB2 HIS 117 2HB HIS 117 -9.935 8.619 -3.866 918 HB3 HIS 117 3HB HIS 117 -10.191 6.896 -3.650 919 HD1 HIS 117 HD1 HIS 117 -12.542 6.617 -4.400 920 HD2 HIS 117 HD2 HIS 117 -12.103 9.825 -1.803 921 HE1 HIS 117 HE1 HIS 117 -14.820 7.605 -4.152 922 HE2 HIS 117 HE2 HIS 117 -14.511 9.601 -2.674 923 H HIS 118 H HIS 118 -11.483 7.078 -0.272 924 HA HIS 118 HA HIS 118 -10.719 4.309 -0.313 925 HB2 HIS 118 2HB HIS 118 -9.111 5.556 1.364 926 HB3 HIS 118 3HB HIS 118 -10.479 5.493 2.464 927 HD1 HIS 118 HD1 HIS 118 -7.672 3.590 1.208 928 HD2 HIS 118 HD2 HIS 118 -11.286 2.713 3.051 929 HE1 HIS 118 HE1 HIS 118 -7.463 1.247 2.031 930 HE2 HIS 118 HE2 HIS 118 -9.617 0.750 3.203 931 H HIS 119 H HIS 119 -12.339 2.967 0.257 932 HA HIS 119 HA HIS 119 -13.848 3.421 2.623 933 HB2 HIS 119 2HB HIS 119 -15.367 4.643 1.127 934 HB3 HIS 119 3HB HIS 119 -15.419 3.287 0.015 935 HD1 HIS 119 HD1 HIS 119 -16.922 4.589 3.145 936 HD2 HIS 119 HD2 HIS 119 -17.044 1.097 0.904 937 HE1 HIS 119 HE1 HIS 119 -18.887 3.299 4.008 938 HE2 HIS 119 HE2 HIS 119 -18.819 1.110 2.769 939 H HIS 120 H HIS 120 -14.157 1.492 3.554 940 HA HIS 120 HA HIS 120 -14.100 -0.997 2.006 941 HB2 HIS 120 2HB HIS 120 -11.766 -0.608 2.620 942 HB3 HIS 120 3HB HIS 120 -12.205 -0.259 4.286 943 HD1 HIS 120 HD1 HIS 120 -12.218 -2.193 5.882 944 HD2 HIS 120 HD2 HIS 120 -12.088 -3.440 1.928 945 HE1 HIS 120 HE1 HIS 120 -11.856 -4.673 5.969 946 HE2 HIS 120 HE2 HIS 120 -11.863 -5.409 3.571 947 H HIS 121 H HIS 121 -15.633 -2.307 2.739 948 HA HIS 121 HA HIS 121 -16.976 -1.937 5.302 949 HB2 HIS 121 2HB HIS 121 -18.331 -2.441 3.297 950 HB3 HIS 121 3HB HIS 121 -17.412 -3.913 3.010 951 HD1 HIS 121 HD1 HIS 121 -20.354 -2.622 4.805 952 HD2 HIS 121 HD2 HIS 121 -17.974 -6.026 4.956 953 HE1 HIS 121 HE1 HIS 121 -21.670 -4.313 6.104 954 HE2 HIS 121 HE2 HIS 121 -20.289 -6.408 6.019 955 H HIS 122 H HIS 122 -16.492 -3.126 7.058 956 HA HIS 122 HA HIS 122 -14.506 -5.299 6.864 957 HB2 HIS 122 2HB HIS 122 -14.259 -4.974 9.367 958 HB3 HIS 122 3HB HIS 122 -13.789 -3.591 8.386 959 HD1 HIS 122 HD1 HIS 122 -16.249 -4.681 10.952 960 HD2 HIS 122 HD2 HIS 122 -15.422 -1.297 8.693 961 HE1 HIS 122 HE1 HIS 122 -17.630 -2.846 11.957 962 HE2 HIS 122 HE2 HIS 122 -17.035 -0.794 10.634 Start of MODEL 18 1 H1 MET 1 1H MET 1 21.648 -28.364 3.432 2 H2 MET 1 2H MET 1 21.039 -29.127 2.056 3 H3 MET 1 3H MET 1 21.546 -30.051 3.379 4 HA MET 1 HA MET 1 19.132 -29.906 3.224 5 HB2 MET 1 2HB MET 1 20.305 -30.159 5.437 6 HB3 MET 1 3HB MET 1 20.291 -28.410 5.626 7 HG2 MET 1 2HG MET 1 17.810 -28.453 5.654 8 HG3 MET 1 3HG MET 1 17.854 -30.214 5.499 9 HE1 MET 1 3HE MET 1 16.712 -29.643 9.247 10 HE2 MET 1 1HE MET 1 16.292 -30.401 7.708 11 HE3 MET 1 2HE MET 1 16.285 -28.644 7.859 12 H ILE 2 H ILE 2 17.584 -28.698 2.324 13 HA ILE 2 HA ILE 2 17.773 -25.746 2.314 14 HB ILE 2 HB ILE 2 16.333 -27.677 0.426 15 HG12 ILE 2 2HG1 ILE 2 18.770 -27.511 0.050 16 HG13 ILE 2 3HG1 ILE 2 17.882 -26.811 -1.298 17 HG21 ILE 2 1HG2 ILE 2 16.286 -24.638 0.324 18 HG22 ILE 2 2HG2 ILE 2 14.920 -25.692 0.682 19 HG23 ILE 2 3HG2 ILE 2 15.649 -25.716 -0.921 20 HD11 ILE 2 3HD1 ILE 2 18.347 -24.563 -0.389 21 HD12 ILE 2 1HD1 ILE 2 19.812 -25.468 -0.768 22 HD13 ILE 2 2HD1 ILE 2 19.287 -25.304 0.907 23 H GLU 3 H GLU 3 16.127 -24.532 3.171 24 HA GLU 3 HA GLU 3 13.535 -25.864 3.730 25 HB2 GLU 3 2HB GLU 3 13.195 -24.368 5.653 26 HB3 GLU 3 3HB GLU 3 14.625 -25.366 5.880 27 HG2 GLU 3 2HG GLU 3 16.094 -23.523 5.477 28 HG3 GLU 3 3HG GLU 3 14.778 -22.512 4.885 29 HA PRO 4 HA PRO 4 11.873 -22.501 1.167 30 HB2 PRO 4 2HB PRO 4 9.241 -22.774 2.517 31 HB3 PRO 4 3HB PRO 4 9.690 -23.189 0.851 32 HG2 PRO 4 2HG PRO 4 9.097 -25.080 2.699 33 HG3 PRO 4 3HG PRO 4 10.260 -25.362 1.383 34 HD2 PRO 4 2HD PRO 4 10.804 -24.667 4.268 35 HD3 PRO 4 3HD PRO 4 11.603 -25.865 3.223 36 H ILE 5 H ILE 5 12.210 -20.371 1.567 37 HA ILE 5 HA ILE 5 11.373 -19.198 4.156 38 HB ILE 5 HB ILE 5 13.308 -17.649 4.070 39 HG12 ILE 5 2HG1 ILE 5 14.363 -19.378 1.787 40 HG13 ILE 5 3HG1 ILE 5 13.709 -17.760 1.589 41 HG21 ILE 5 1HG2 ILE 5 14.094 -20.577 4.084 42 HG22 ILE 5 2HG2 ILE 5 13.456 -19.653 5.446 43 HG23 ILE 5 3HG2 ILE 5 15.044 -19.258 4.780 44 HD11 ILE 5 3HD1 ILE 5 16.137 -17.780 1.537 45 HD12 ILE 5 1HD1 ILE 5 16.184 -18.460 3.161 46 HD13 ILE 5 2HD1 ILE 5 15.538 -16.841 2.903 47 H LYS 6 H LYS 6 10.787 -17.032 4.159 48 HA LYS 6 HA LYS 6 10.811 -15.431 1.800 49 HB2 LYS 6 2HB LYS 6 8.373 -14.936 1.695 50 HB3 LYS 6 3HB LYS 6 8.790 -16.550 1.164 51 HG2 LYS 6 2HG LYS 6 7.841 -16.116 3.992 52 HG3 LYS 6 3HG LYS 6 6.673 -16.131 2.667 53 HD2 LYS 6 2HD LYS 6 8.624 -18.384 3.337 54 HD3 LYS 6 3HD LYS 6 6.907 -18.371 3.736 55 HE2 LYS 6 2HE LYS 6 6.328 -18.362 1.344 56 HE3 LYS 6 3HE LYS 6 8.040 -18.288 0.915 57 HZ1 LYS 6 3HZ LYS 6 8.363 -20.455 1.933 58 HZ2 LYS 6 1HZ LYS 6 7.175 -20.542 0.734 59 HZ3 LYS 6 2HZ LYS 6 6.732 -20.538 2.366 60 H ARG 7 H ARG 7 10.606 -13.336 2.168 61 HA ARG 7 HA ARG 7 10.080 -12.372 4.917 62 HB2 ARG 7 2HB ARG 7 11.754 -11.218 2.642 63 HB3 ARG 7 3HB ARG 7 11.343 -10.300 4.092 64 HG2 ARG 7 2HG ARG 7 12.563 -11.910 5.486 65 HG3 ARG 7 3HG ARG 7 12.906 -12.905 4.071 66 HD2 ARG 7 2HD ARG 7 14.277 -11.116 3.109 67 HD3 ARG 7 3HD ARG 7 13.892 -10.059 4.471 68 HE ARG 7 HE ARG 7 15.399 -12.596 4.729 69 HH11 ARG 7 1HH1 ARG 7 14.975 -9.229 5.607 70 HH12 ARG 7 2HH1 ARG 7 16.302 -9.224 6.727 71 HH21 ARG 7 2HH2 ARG 7 17.092 -12.609 6.256 72 HH22 ARG 7 1HH2 ARG 7 17.504 -11.146 7.092 73 H THR 8 H THR 8 8.908 -10.303 5.006 74 HA THR 8 HA THR 8 6.895 -10.041 2.844 75 HB THR 8 HB THR 8 6.336 -10.169 5.851 76 HG1 THR 8 HG1 THR 8 6.827 -12.201 4.921 77 HG21 THR 8 3HG2 THR 8 4.730 -8.705 4.650 78 HG22 THR 8 1HG2 THR 8 3.960 -10.180 5.221 79 HG23 THR 8 2HG2 THR 8 4.391 -10.015 3.517 80 H GLN 9 H GLN 9 6.865 -7.993 2.155 81 HA GLN 9 HA GLN 9 7.217 -5.774 4.083 82 HB2 GLN 9 2HB GLN 9 9.095 -6.001 2.385 83 HB3 GLN 9 3HB GLN 9 7.902 -5.725 1.109 84 HG2 GLN 9 2HG GLN 9 9.037 -3.654 1.553 85 HG3 GLN 9 3HG GLN 9 7.379 -3.499 2.121 86 HE21 GLN 9 1HE2 GLN 9 10.693 -3.556 3.063 87 HE22 GLN 9 2HE2 GLN 9 10.464 -3.202 4.728 88 H VAL 10 H VAL 10 5.169 -5.096 4.490 89 HA VAL 10 HA VAL 10 3.177 -5.077 2.335 90 HB VAL 10 HB VAL 10 1.467 -4.797 3.967 91 HG11 VAL 10 1HG1 VAL 10 1.812 -6.705 5.491 92 HG12 VAL 10 2HG1 VAL 10 3.547 -6.662 5.170 93 HG13 VAL 10 3HG1 VAL 10 2.418 -7.063 3.873 94 HG21 VAL 10 3HG2 VAL 10 1.826 -4.352 6.374 95 HG22 VAL 10 1HG2 VAL 10 2.441 -3.028 5.382 96 HG23 VAL 10 2HG2 VAL 10 3.560 -4.188 6.093 97 H VAL 11 H VAL 11 2.527 -3.273 1.323 98 HA VAL 11 HA VAL 11 3.493 -0.606 2.168 99 HB VAL 11 HB VAL 11 2.362 -1.611 -0.504 100 HG11 VAL 11 1HG1 VAL 11 3.364 1.179 0.157 101 HG12 VAL 11 2HG1 VAL 11 1.687 0.727 -0.133 102 HG13 VAL 11 3HG1 VAL 11 2.866 0.606 -1.438 103 HG21 VAL 11 3HG2 VAL 11 4.647 -1.178 -1.382 104 HG22 VAL 11 1HG2 VAL 11 4.655 -2.381 -0.091 105 HG23 VAL 11 2HG2 VAL 11 5.179 -0.732 0.239 106 H THR 12 H THR 12 1.950 0.826 2.989 107 HA THR 12 HA THR 12 -0.811 -0.249 3.251 108 HB THR 12 HB THR 12 0.971 0.990 5.393 109 HG1 THR 12 HG1 THR 12 0.714 -1.515 4.508 110 HG21 THR 12 3HG2 THR 12 -1.352 1.641 5.813 111 HG22 THR 12 1HG2 THR 12 -0.862 0.407 6.971 112 HG23 THR 12 2HG2 THR 12 -1.889 -0.029 5.604 113 H GLN 13 H GLN 13 -2.147 1.126 2.245 114 HA GLN 13 HA GLN 13 -1.874 4.034 2.388 115 HB2 GLN 13 2HB GLN 13 -3.603 2.109 0.849 116 HB3 GLN 13 3HB GLN 13 -4.263 3.711 1.133 117 HG2 GLN 13 2HG GLN 13 -1.530 3.330 -0.107 118 HG3 GLN 13 3HG GLN 13 -3.008 3.300 -1.068 119 HE21 GLN 13 1HE2 GLN 13 -2.353 5.149 -2.210 120 HE22 GLN 13 2HE2 GLN 13 -2.385 6.726 -1.521 121 H THR 14 H THR 14 -2.328 4.801 4.384 122 HA THR 14 HA THR 14 -4.782 4.061 5.828 123 HB THR 14 HB THR 14 -2.487 5.944 6.561 124 HG1 THR 14 HG1 THR 14 -3.120 3.411 7.703 125 HG21 THR 14 3HG2 THR 14 -4.831 5.009 8.268 126 HG22 THR 14 1HG2 THR 14 -4.538 6.658 7.713 127 HG23 THR 14 2HG2 THR 14 -3.429 5.904 8.857 128 H ILE 15 H ILE 15 -6.591 5.169 5.290 129 HA ILE 15 HA ILE 15 -6.324 7.795 3.946 130 HB ILE 15 HB ILE 15 -8.352 5.563 3.489 131 HG12 ILE 15 2HG1 ILE 15 -6.329 6.797 1.578 132 HG13 ILE 15 3HG1 ILE 15 -5.951 5.391 2.563 133 HG21 ILE 15 1HG2 ILE 15 -8.238 8.314 2.172 134 HG22 ILE 15 2HG2 ILE 15 -9.506 7.736 3.255 135 HG23 ILE 15 3HG2 ILE 15 -9.290 6.986 1.675 136 HD11 ILE 15 3HD1 ILE 15 -7.687 4.137 1.436 137 HD12 ILE 15 1HD1 ILE 15 -6.500 4.790 0.310 138 HD13 ILE 15 2HD1 ILE 15 -8.078 5.557 0.460 139 H HIS 16 H HIS 16 -7.356 9.463 4.667 140 HA HIS 16 HA HIS 16 -9.180 9.251 6.999 141 HB2 HIS 16 2HB HIS 16 -7.313 11.527 6.155 142 HB3 HIS 16 3HB HIS 16 -8.413 11.582 7.530 143 HD1 HIS 16 HD1 HIS 16 -6.962 11.568 9.526 144 HD2 HIS 16 HD2 HIS 16 -5.632 8.822 6.702 145 HE1 HIS 16 HE1 HIS 16 -4.982 10.436 10.571 146 HE2 HIS 16 HE2 HIS 16 -4.084 8.938 8.771 147 H TYR 17 H TYR 17 -11.221 9.565 6.314 148 HA TYR 17 HA TYR 17 -11.855 11.280 4.037 149 HB2 TYR 17 2HB TYR 17 -13.716 9.796 5.954 150 HB3 TYR 17 3HB TYR 17 -14.166 10.532 4.419 151 HD1 TYR 17 HD2 TYR 17 -12.414 9.673 2.424 152 HD2 TYR 17 HD1 TYR 17 -13.634 7.418 5.832 153 HE1 TYR 17 HE2 TYR 17 -11.880 7.599 1.239 154 HE2 TYR 17 HE1 TYR 17 -13.092 5.335 4.642 155 HH TYR 17 HH TYR 17 -11.487 5.361 1.533 156 H ARG 18 H ARG 18 -11.733 13.387 4.426 157 HA ARG 18 HA ARG 18 -12.744 14.562 6.962 158 HB2 ARG 18 2HB ARG 18 -10.110 15.329 5.598 159 HB3 ARG 18 3HB ARG 18 -10.791 16.101 7.025 160 HG2 ARG 18 2HG ARG 18 -9.914 13.207 6.907 161 HG3 ARG 18 3HG ARG 18 -8.901 14.524 7.485 162 HD2 ARG 18 2HD ARG 18 -11.594 13.882 8.719 163 HD3 ARG 18 3HD ARG 18 -10.089 13.139 9.265 164 HE ARG 18 HE ARG 18 -10.432 16.083 9.260 165 HH11 ARG 18 1HH1 ARG 18 -9.722 13.121 11.023 166 HH12 ARG 18 2HH1 ARG 18 -9.230 13.960 12.469 167 HH21 ARG 18 1HH2 ARG 18 -9.771 17.151 11.166 168 HH22 ARG 18 2HH2 ARG 18 -9.257 16.229 12.545 169 H TYR 19 H TYR 19 -13.329 16.827 6.729 170 HA TYR 19 HA TYR 19 -14.358 17.496 4.074 171 HB2 TYR 19 2HB TYR 19 -14.783 18.760 6.819 172 HB3 TYR 19 3HB TYR 19 -15.508 19.380 5.340 173 HD1 TYR 19 HD2 TYR 19 -17.289 18.075 4.173 174 HD2 TYR 19 HD1 TYR 19 -15.684 16.771 7.910 175 HE1 TYR 19 HE2 TYR 19 -19.209 16.588 4.483 176 HE2 TYR 19 HE1 TYR 19 -17.612 15.281 8.219 177 HH TYR 19 HH TYR 19 -19.904 15.048 7.450 178 H GLU 20 H GLU 20 -14.319 19.942 3.607 179 HA GLU 20 HA GLU 20 -11.682 20.858 3.183 180 HB2 GLU 20 2HB GLU 20 -12.770 22.955 2.382 181 HB3 GLU 20 3HB GLU 20 -13.440 21.499 1.656 182 HG2 GLU 20 2HG GLU 20 -15.442 21.638 2.923 183 HG3 GLU 20 3HG GLU 20 -14.748 22.800 4.055 184 H ASP 21 H ASP 21 -13.918 21.374 5.808 185 HA ASP 21 HA ASP 21 -12.532 23.590 7.053 186 HB2 ASP 21 2HB ASP 21 -14.562 21.616 8.196 187 HB3 ASP 21 3HB ASP 21 -14.063 23.122 8.963 188 H GLY 22 H GLY 22 -11.683 20.377 6.660 189 HA2 GLY 22 2HA GLY 22 -10.172 18.964 7.689 190 HA3 GLY 22 3HA GLY 22 -9.861 20.220 8.883 191 H ALA 23 H ALA 23 -13.172 19.507 8.472 192 HA ALA 23 HA ALA 23 -13.451 18.417 11.114 193 HB1 ALA 23 3HB ALA 23 -15.496 18.742 8.881 194 HB2 ALA 23 1HB ALA 23 -15.161 19.906 10.163 195 HB3 ALA 23 2HB ALA 23 -15.870 18.340 10.560 196 H VAL 24 H VAL 24 -14.272 16.319 11.645 197 HA VAL 24 HA VAL 24 -13.100 14.185 10.115 198 HB VAL 24 HB VAL 24 -14.878 14.117 12.603 199 HG11 VAL 24 1HG1 VAL 24 -14.058 11.805 12.957 200 HG12 VAL 24 2HG1 VAL 24 -13.216 11.867 11.409 201 HG13 VAL 24 3HG1 VAL 24 -14.975 11.953 11.458 202 HG21 VAL 24 3HG2 VAL 24 -12.751 15.316 12.964 203 HG22 VAL 24 1HG2 VAL 24 -11.847 13.914 12.387 204 HG23 VAL 24 2HG2 VAL 24 -12.788 13.808 13.878 205 H ALA 25 H ALA 25 -14.103 13.140 8.415 206 HA ALA 25 HA ALA 25 -17.045 12.766 8.503 207 HB1 ALA 25 3HB ALA 25 -15.069 12.058 6.290 208 HB2 ALA 25 1HB ALA 25 -16.119 13.476 6.329 209 HB3 ALA 25 2HB ALA 25 -16.822 11.865 6.218 210 H HIS 26 H HIS 26 -14.132 10.765 7.803 211 HA HIS 26 HA HIS 26 -14.704 8.832 9.869 212 HB2 HIS 26 2HB HIS 26 -14.946 7.958 6.947 213 HB3 HIS 26 3HB HIS 26 -14.736 6.835 8.287 214 HD1 HIS 26 HD1 HIS 26 -16.799 6.746 10.011 215 HD2 HIS 26 HD2 HIS 26 -17.543 8.663 6.404 216 HE1 HIS 26 HE1 HIS 26 -19.296 6.912 9.845 217 HE2 HIS 26 HE2 HIS 26 -19.726 8.034 7.638 218 H ASP 27 H ASP 27 -12.576 9.183 10.633 219 HA ASP 27 HA ASP 27 -10.260 8.846 8.912 220 HB2 ASP 27 2HB ASP 27 -10.521 9.030 11.947 221 HB3 ASP 27 3HB ASP 27 -8.976 8.895 11.108 222 H ASP 28 H ASP 28 -8.525 7.246 9.661 223 HA ASP 28 HA ASP 28 -7.735 5.151 9.623 224 HB2 ASP 28 2HB ASP 28 -8.343 5.183 11.996 225 HB3 ASP 28 3HB ASP 28 -9.968 4.618 11.619 226 H HIS 29 H HIS 29 -8.360 5.052 7.391 227 HA HIS 29 HA HIS 29 -10.009 2.631 6.960 228 HB2 HIS 29 2HB HIS 29 -11.154 4.706 6.049 229 HB3 HIS 29 3HB HIS 29 -9.785 4.928 4.961 230 HD1 HIS 29 HD1 HIS 29 -12.990 3.212 5.221 231 HD2 HIS 29 HD2 HIS 29 -9.482 2.674 3.065 232 HE1 HIS 29 HE1 HIS 29 -13.568 1.608 3.378 233 HE2 HIS 29 HE2 HIS 29 -11.392 1.152 2.225 234 H VAL 30 H VAL 30 -8.315 1.254 6.952 235 HA VAL 30 HA VAL 30 -5.839 1.961 5.492 236 HB VAL 30 HB VAL 30 -6.317 0.004 7.796 237 HG11 VAL 30 1HG1 VAL 30 -4.575 -0.901 6.342 238 HG12 VAL 30 2HG1 VAL 30 -3.861 -0.316 7.841 239 HG13 VAL 30 3HG1 VAL 30 -3.709 0.637 6.365 240 HG21 VAL 30 3HG2 VAL 30 -6.370 2.377 8.477 241 HG22 VAL 30 1HG2 VAL 30 -4.788 2.642 7.741 242 HG23 VAL 30 2HG2 VAL 30 -4.950 1.566 9.132 243 H VAL 31 H VAL 31 -5.424 0.908 3.677 244 HA VAL 31 HA VAL 31 -6.164 -1.939 3.350 245 HB VAL 31 HB VAL 31 -7.429 -0.477 1.740 246 HG11 VAL 31 1HG1 VAL 31 -6.277 0.665 -0.112 247 HG12 VAL 31 2HG1 VAL 31 -4.712 0.269 0.608 248 HG13 VAL 31 3HG1 VAL 31 -5.825 1.350 1.451 249 HG21 VAL 31 3HG2 VAL 31 -6.905 -1.756 -0.301 250 HG22 VAL 31 1HG2 VAL 31 -6.924 -2.794 1.123 251 HG23 VAL 31 2HG2 VAL 31 -5.386 -2.295 0.414 252 H SER 32 H SER 32 -4.465 -3.224 2.332 253 HA SER 32 HA SER 32 -1.802 -2.011 2.147 254 HB2 SER 32 2HB SER 32 -0.844 -3.739 3.703 255 HB3 SER 32 3HB SER 32 -1.943 -2.624 4.512 256 HG SER 32 HG SER 32 -3.581 -4.364 4.039 257 H LEU 33 H LEU 33 -0.428 -3.086 0.826 258 HA LEU 33 HA LEU 33 -1.312 -5.584 -0.486 259 HB2 LEU 33 2HB LEU 33 0.553 -3.392 -1.465 260 HB3 LEU 33 3HB LEU 33 0.253 -4.896 -2.324 261 HG LEU 33 HG LEU 33 -1.882 -2.815 -1.713 262 HD11 LEU 33 1HD1 LEU 33 -0.408 -3.344 -4.303 263 HD12 LEU 33 2HD1 LEU 33 -0.215 -1.933 -3.264 264 HD13 LEU 33 3HD1 LEU 33 -1.749 -2.216 -4.085 265 HD21 LEU 33 3HD2 LEU 33 -3.282 -4.074 -3.298 266 HD22 LEU 33 1HD2 LEU 33 -2.813 -5.081 -1.930 267 HD23 LEU 33 2HD2 LEU 33 -2.009 -5.281 -3.488 268 H ILE 34 H ILE 34 -0.143 -7.318 -0.079 269 HA ILE 34 HA ILE 34 2.200 -7.141 1.671 270 HB ILE 34 HB ILE 34 0.307 -9.449 0.996 271 HG12 ILE 34 2HG1 ILE 34 -0.213 -9.397 3.473 272 HG13 ILE 34 3HG1 ILE 34 0.776 -7.958 3.631 273 HG21 ILE 34 1HG2 ILE 34 2.556 -10.375 1.257 274 HG22 ILE 34 2HG2 ILE 34 1.560 -10.824 2.638 275 HG23 ILE 34 3HG2 ILE 34 2.753 -9.536 2.796 276 HD11 ILE 34 3HD1 ILE 34 -1.780 -8.185 2.044 277 HD12 ILE 34 1HD1 ILE 34 -0.808 -6.723 2.235 278 HD13 ILE 34 2HD1 ILE 34 -1.596 -7.448 3.636 279 H PHE 35 H PHE 35 4.106 -7.082 0.567 280 HA PHE 35 HA PHE 35 4.436 -8.554 -1.968 281 HB2 PHE 35 2HB PHE 35 6.178 -6.404 -0.659 282 HB3 PHE 35 3HB PHE 35 6.561 -7.213 -2.176 283 HD1 PHE 35 HD1 PHE 35 4.012 -5.008 -0.542 284 HD2 PHE 35 HD2 PHE 35 5.677 -6.377 -4.234 285 HE1 PHE 35 HE1 PHE 35 2.702 -3.330 -1.767 286 HE2 PHE 35 HE2 PHE 35 4.359 -4.691 -5.445 287 HZ PHE 35 HZ PHE 35 2.874 -3.166 -4.211 288 H THR 36 H THR 36 4.834 -10.620 -1.409 289 HA THR 36 HA THR 36 6.702 -11.286 0.783 290 HB THR 36 HB THR 36 4.769 -13.059 -0.773 291 HG1 THR 36 HG1 THR 36 3.744 -11.549 0.623 292 HG21 THR 36 3HG2 THR 36 6.418 -13.682 1.706 293 HG22 THR 36 1HG2 THR 36 6.668 -14.368 0.100 294 HG23 THR 36 2HG2 THR 36 5.194 -14.734 0.996 295 H GLN 37 H GLN 37 8.757 -11.138 -0.042 296 HA GLN 37 HA GLN 37 9.474 -12.264 -2.620 297 HB2 GLN 37 2HB GLN 37 10.683 -10.289 -1.738 298 HB3 GLN 37 3HB GLN 37 11.247 -11.233 -0.361 299 HG2 GLN 37 2HG GLN 37 12.552 -12.679 -1.845 300 HG3 GLN 37 3HG GLN 37 11.911 -11.841 -3.259 301 HE21 GLN 37 1HE2 GLN 37 13.989 -11.285 -3.972 302 HE22 GLN 37 2HE2 GLN 37 14.941 -10.079 -3.187 303 H SER 38 H SER 38 9.436 -14.401 -2.808 304 HA SER 38 HA SER 38 9.972 -16.161 -0.530 305 HB2 SER 38 2HB SER 38 7.928 -16.540 -1.888 306 HB3 SER 38 3HB SER 38 8.916 -16.797 -3.325 307 HG SER 38 HG SER 38 9.298 -18.762 -2.688 308 H GLY 39 H GLY 39 11.307 -18.040 -0.835 309 HA2 GLY 39 2HA GLY 39 13.280 -18.352 -2.838 310 HA3 GLY 39 3HA GLY 39 13.952 -17.442 -1.486 311 H LYS 40 H LYS 40 15.399 -19.319 -1.317 312 HA LYS 40 HA LYS 40 14.343 -21.247 0.599 313 HB2 LYS 40 2HB LYS 40 15.412 -23.172 -0.566 314 HB3 LYS 40 3HB LYS 40 14.088 -22.471 -1.472 315 HG2 LYS 40 2HG LYS 40 15.622 -22.862 -3.153 316 HG3 LYS 40 3HG LYS 40 15.979 -21.183 -2.759 317 HD2 LYS 40 2HD LYS 40 17.901 -21.922 -1.385 318 HD3 LYS 40 3HD LYS 40 17.527 -23.604 -1.763 319 HE2 LYS 40 2HE LYS 40 17.944 -23.139 -4.162 320 HE3 LYS 40 3HE LYS 40 18.345 -21.468 -3.761 321 HZ1 LYS 40 3HZ LYS 40 19.818 -23.896 -2.885 322 HZ2 LYS 40 1HZ LYS 40 20.171 -22.320 -2.377 323 HZ3 LYS 40 2HZ LYS 40 20.339 -22.744 -4.004 324 H ARG 41 H ARG 41 15.873 -21.918 2.115 325 HA ARG 41 HA ARG 41 18.363 -20.323 2.125 326 HB2 ARG 41 2HB ARG 41 16.749 -19.916 3.996 327 HB3 ARG 41 3HB ARG 41 16.906 -21.604 4.478 328 HG2 ARG 41 2HG ARG 41 19.315 -21.235 4.927 329 HG3 ARG 41 3HG ARG 41 19.135 -19.540 4.478 330 HD2 ARG 41 2HD ARG 41 17.739 -20.916 6.794 331 HD3 ARG 41 3HD ARG 41 19.139 -19.850 6.925 332 HE ARG 41 HE ARG 41 16.506 -18.945 5.906 333 HH11 ARG 41 2HH1 ARG 41 19.306 -18.394 7.977 334 HH12 ARG 41 1HH1 ARG 41 18.745 -16.846 8.519 335 HH21 ARG 41 2HH2 ARG 41 15.761 -16.950 6.654 336 HH22 ARG 41 1HH2 ARG 41 16.724 -16.022 7.765 337 H ASP 42 H ASP 42 20.197 -21.387 1.753 338 HA ASP 42 HA ASP 42 20.533 -24.245 2.081 339 HB2 ASP 42 2HB ASP 42 22.312 -21.933 1.263 340 HB3 ASP 42 3HB ASP 42 23.097 -23.398 1.837 341 H LEU 43 H LEU 43 20.443 -24.986 4.096 342 HA LEU 43 HA LEU 43 21.132 -23.444 6.431 343 HB2 LEU 43 2HB LEU 43 20.287 -26.348 6.089 344 HB3 LEU 43 3HB LEU 43 20.510 -25.573 7.652 345 HG LEU 43 HG LEU 43 18.452 -24.745 5.557 346 HD11 LEU 43 1HD1 LEU 43 18.061 -26.169 8.212 347 HD12 LEU 43 2HD1 LEU 43 17.843 -26.867 6.609 348 HD13 LEU 43 3HD1 LEU 43 16.768 -25.587 7.158 349 HD21 LEU 43 3HD2 LEU 43 19.238 -22.818 6.848 350 HD22 LEU 43 1HD2 LEU 43 18.897 -23.669 8.359 351 HD23 LEU 43 2HD2 LEU 43 17.578 -23.223 7.272 352 H THR 44 H THR 44 23.046 -25.065 4.289 353 HA THR 44 HA THR 44 25.041 -26.163 6.034 354 HB THR 44 HB THR 44 24.833 -27.029 3.759 355 HG1 THR 44 HG1 THR 44 26.856 -27.413 4.217 356 HG21 THR 44 3HG2 THR 44 24.112 -25.000 2.555 357 HG22 THR 44 1HG2 THR 44 25.505 -25.743 1.762 358 HG23 THR 44 2HG2 THR 44 25.722 -24.300 2.754 359 H ASN 45 H ASN 45 24.685 -23.122 4.212 360 HA ASN 45 HA ASN 45 26.881 -21.839 5.715 361 HB2 ASN 45 2HB ASN 45 25.287 -20.930 3.277 362 HB3 ASN 45 3HB ASN 45 26.504 -19.935 4.069 363 HD21 ASN 45 1HD2 ASN 45 26.494 -20.839 1.340 364 HD22 ASN 45 2HD2 ASN 45 27.915 -21.788 1.117 365 H GLY 46 H GLY 46 23.447 -21.990 5.611 366 HA2 GLY 46 2HA GLY 46 21.817 -20.954 6.888 367 HA3 GLY 46 3HA GLY 46 23.056 -19.948 7.631 368 H LYS 47 H LYS 47 22.985 -20.113 4.177 369 HA LYS 47 HA LYS 47 22.556 -17.225 4.071 370 HB2 LYS 47 2HB LYS 47 23.490 -17.342 1.815 371 HB3 LYS 47 3HB LYS 47 24.530 -18.204 2.943 372 HG2 LYS 47 2HG LYS 47 23.751 -20.346 2.142 373 HG3 LYS 47 3HG LYS 47 22.530 -19.582 1.127 374 HD2 LYS 47 2HD LYS 47 25.542 -19.331 0.787 375 HD3 LYS 47 3HD LYS 47 24.470 -20.327 -0.200 376 HE2 LYS 47 2HE LYS 47 23.348 -18.350 -1.064 377 HE3 LYS 47 3HE LYS 47 24.264 -17.305 0.022 378 HZ1 LYS 47 3HZ LYS 47 25.414 -18.944 -2.171 379 HZ2 LYS 47 1HZ LYS 47 26.286 -17.923 -1.145 380 HZ3 LYS 47 2HZ LYS 47 25.153 -17.278 -2.222 381 H GLU 48 H GLU 48 21.039 -16.206 2.815 382 HA GLU 48 HA GLU 48 18.560 -17.704 2.285 383 HB2 GLU 48 2HB GLU 48 19.142 -14.747 2.721 384 HB3 GLU 48 3HB GLU 48 17.534 -15.406 2.420 385 HG2 GLU 48 2HG GLU 48 17.572 -16.637 4.498 386 HG3 GLU 48 3HG GLU 48 19.264 -16.243 4.751 387 H ILE 49 H ILE 49 18.410 -18.337 0.199 388 HA ILE 49 HA ILE 49 19.523 -16.687 -1.977 389 HB ILE 49 HB ILE 49 18.372 -19.525 -2.143 390 HG12 ILE 49 2HG1 ILE 49 20.810 -20.131 -2.742 391 HG13 ILE 49 3HG1 ILE 49 21.267 -18.543 -2.140 392 HG21 ILE 49 1HG2 ILE 49 19.708 -17.860 -4.319 393 HG22 ILE 49 2HG2 ILE 49 18.002 -18.303 -4.238 394 HG23 ILE 49 3HG2 ILE 49 19.224 -19.551 -4.472 395 HD11 ILE 49 3HD1 ILE 49 20.465 -19.135 0.074 396 HD12 ILE 49 1HD1 ILE 49 21.636 -20.320 -0.507 397 HD13 ILE 49 2HD1 ILE 49 19.914 -20.703 -0.526 398 H TRP 50 H TRP 50 18.044 -15.048 -2.094 399 HA TRP 50 HA TRP 50 15.238 -15.545 -2.684 400 HB2 TRP 50 2HB TRP 50 16.823 -12.927 -2.792 401 HB3 TRP 50 3HB TRP 50 15.068 -13.107 -2.691 402 HD1 TRP 50 HD1 TRP 50 18.026 -12.576 -0.508 403 HE1 TRP 50 HE1 TRP 50 17.402 -12.940 1.954 404 HE3 TRP 50 HE3 TRP 50 13.498 -14.804 -1.147 405 HZ2 TRP 50 HZ2 TRP 50 15.274 -14.031 3.438 406 HZ3 TRP 50 HZ3 TRP 50 12.233 -15.486 0.831 407 HH2 TRP 50 HH2 TRP 50 13.095 -15.109 3.085 408 H ASP 51 H ASP 51 14.355 -14.499 -4.703 409 HA ASP 51 HA ASP 51 15.976 -14.858 -7.067 410 HB2 ASP 51 2HB ASP 51 13.334 -13.353 -6.820 411 HB3 ASP 51 3HB ASP 51 14.070 -13.942 -8.305 412 H SER 52 H SER 52 17.586 -13.447 -7.497 413 HA SER 52 HA SER 52 17.930 -10.856 -6.420 414 HB2 SER 52 2HB SER 52 19.136 -11.984 -8.987 415 HB3 SER 52 3HB SER 52 19.759 -10.622 -8.055 416 HG SER 52 HG SER 52 19.682 -12.410 -6.290 417 H LYS 53 H LYS 53 16.306 -12.063 -9.228 418 HA LYS 53 HA LYS 53 15.829 -9.439 -10.424 419 HB2 LYS 53 2HB LYS 53 15.036 -12.239 -11.332 420 HB3 LYS 53 3HB LYS 53 14.848 -10.764 -12.277 421 HG2 LYS 53 2HG LYS 53 17.298 -10.487 -12.366 422 HG3 LYS 53 3HG LYS 53 17.500 -11.925 -11.363 423 HD2 LYS 53 2HD LYS 53 17.905 -12.528 -13.683 424 HD3 LYS 53 3HD LYS 53 16.412 -13.298 -13.144 425 HE2 LYS 53 2HE LYS 53 15.126 -11.448 -14.253 426 HE3 LYS 53 3HE LYS 53 16.650 -10.817 -14.879 427 HZ1 LYS 53 3HZ LYS 53 15.415 -12.220 -16.467 428 HZ2 LYS 53 1HZ LYS 53 15.622 -13.551 -15.446 429 HZ3 LYS 53 2HZ LYS 53 16.970 -12.803 -16.146 430 H TRP 54 H TRP 54 14.489 -10.611 -7.799 431 HA TRP 54 HA TRP 54 11.714 -10.928 -8.424 432 HB2 TRP 54 2HB TRP 54 12.691 -11.863 -6.336 433 HB3 TRP 54 3HB TRP 54 13.001 -10.246 -5.735 434 HD1 TRP 54 HD1 TRP 54 10.095 -12.681 -6.395 435 HE1 TRP 54 HE1 TRP 54 8.058 -11.904 -5.063 436 HE3 TRP 54 HE3 TRP 54 11.877 -8.196 -4.701 437 HZ2 TRP 54 HZ2 TRP 54 7.275 -9.699 -3.503 438 HZ3 TRP 54 HZ3 TRP 54 10.412 -6.808 -3.301 439 HH2 TRP 54 HH2 TRP 54 8.156 -7.541 -2.714 440 H SER 55 H SER 55 10.313 -9.409 -8.866 441 HA SER 55 HA SER 55 10.150 -6.931 -7.398 442 HB2 SER 55 2HB SER 55 9.957 -5.518 -9.435 443 HB3 SER 55 3HB SER 55 11.544 -6.263 -9.333 444 HG SER 55 HG SER 55 10.049 -7.942 -10.694 445 H LEU 56 H LEU 56 8.062 -6.941 -6.721 446 HA LEU 56 HA LEU 56 6.063 -8.473 -8.293 447 HB2 LEU 56 2HB LEU 56 6.444 -9.284 -5.988 448 HB3 LEU 56 3HB LEU 56 6.075 -7.691 -5.348 449 HG LEU 56 HG LEU 56 3.729 -7.920 -6.207 450 HD11 LEU 56 1HD1 LEU 56 4.529 -10.758 -6.914 451 HD12 LEU 56 2HD1 LEU 56 4.088 -9.478 -8.048 452 HD13 LEU 56 3HD1 LEU 56 2.885 -10.110 -6.929 453 HD21 LEU 56 3HD2 LEU 56 2.970 -9.532 -4.500 454 HD22 LEU 56 1HD2 LEU 56 4.222 -8.461 -3.876 455 HD23 LEU 56 2HD2 LEU 56 4.622 -10.121 -4.317 456 H THR 57 H THR 57 4.345 -7.420 -9.133 457 HA THR 57 HA THR 57 3.955 -4.540 -8.542 458 HB THR 57 HB THR 57 3.147 -6.113 -11.047 459 HG1 THR 57 HG1 THR 57 5.329 -5.931 -11.152 460 HG21 THR 57 3HG2 THR 57 2.720 -3.920 -12.062 461 HG22 THR 57 1HG2 THR 57 3.169 -3.103 -10.559 462 HG23 THR 57 2HG2 THR 57 1.724 -4.110 -10.625 463 H GLN 58 H GLN 58 2.250 -4.242 -7.193 464 HA GLN 58 HA GLN 58 -0.277 -5.717 -7.676 465 HB2 GLN 58 2HB GLN 58 0.817 -4.875 -4.954 466 HB3 GLN 58 3HB GLN 58 -0.757 -5.612 -5.244 467 HG2 GLN 58 2HG GLN 58 0.344 -7.684 -5.993 468 HG3 GLN 58 3HG GLN 58 1.922 -6.935 -5.724 469 HE21 GLN 58 1HE2 GLN 58 2.564 -6.485 -3.578 470 HE22 GLN 58 2HE2 GLN 58 1.868 -7.309 -2.242 471 H THR 59 H THR 59 -2.039 -4.403 -7.889 472 HA THR 59 HA THR 59 -1.603 -1.532 -8.045 473 HB THR 59 HB THR 59 -4.098 -3.177 -8.693 474 HG1 THR 59 HG1 THR 59 -2.738 -2.258 -10.846 475 HG21 THR 59 3HG2 THR 59 -4.554 -0.730 -8.411 476 HG22 THR 59 1HG2 THR 59 -4.782 -1.269 -10.072 477 HG23 THR 59 2HG2 THR 59 -3.325 -0.381 -9.632 478 H PHE 60 H PHE 60 -2.243 -0.073 -6.458 479 HA PHE 60 HA PHE 60 -4.305 -0.782 -4.499 480 HB2 PHE 60 2HB PHE 60 -2.669 1.729 -4.985 481 HB3 PHE 60 3HB PHE 60 -4.119 1.810 -4.001 482 HD1 PHE 60 HD1 PHE 60 -4.240 -0.036 -2.054 483 HD2 PHE 60 HD2 PHE 60 -0.645 1.403 -3.863 484 HE1 PHE 60 HE1 PHE 60 -2.969 -0.664 -0.040 485 HE2 PHE 60 HE2 PHE 60 0.612 0.767 -1.858 486 HZ PHE 60 HZ PHE 60 -0.542 -0.264 0.054 487 H GLU 61 H GLU 61 -6.232 -1.018 -5.420 488 HA GLU 61 HA GLU 61 -7.547 1.277 -6.706 489 HB2 GLU 61 2HB GLU 61 -8.553 -0.185 -8.450 490 HB3 GLU 61 3HB GLU 61 -6.801 -0.107 -8.611 491 HG2 GLU 61 2HG GLU 61 -6.544 -2.318 -7.630 492 HG3 GLU 61 3HG GLU 61 -8.262 -2.392 -7.239 493 H ALA 62 H ALA 62 -10.009 0.423 -7.041 494 HA ALA 62 HA ALA 62 -11.969 -0.365 -6.218 495 HB1 ALA 62 3HB ALA 62 -10.905 -2.560 -6.626 496 HB2 ALA 62 1HB ALA 62 -12.002 -2.618 -5.242 497 HB3 ALA 62 2HB ALA 62 -10.255 -2.549 -4.987 498 H LEU 63 H LEU 63 -10.284 1.498 -4.559 499 HA LEU 63 HA LEU 63 -11.304 0.949 -1.848 500 HB2 LEU 63 2HB LEU 63 -8.790 1.475 -2.441 501 HB3 LEU 63 3HB LEU 63 -9.333 3.132 -2.584 502 HG LEU 63 HG LEU 63 -8.310 2.715 -0.388 503 HD11 LEU 63 1HD1 LEU 63 -10.118 4.396 -0.500 504 HD12 LEU 63 2HD1 LEU 63 -10.000 3.635 1.081 505 HD13 LEU 63 3HD1 LEU 63 -11.288 3.161 -0.030 506 HD21 LEU 63 3HD2 LEU 63 -8.780 0.319 -0.186 507 HD22 LEU 63 1HD2 LEU 63 -10.496 0.656 0.064 508 HD23 LEU 63 2HD2 LEU 63 -9.304 1.184 1.255 509 HA PRO 64 HA PRO 64 -14.303 4.155 -3.147 510 HB2 PRO 64 2HB PRO 64 -16.268 3.560 -1.412 511 HB3 PRO 64 3HB PRO 64 -15.830 2.401 -2.687 512 HG2 PRO 64 2HG PRO 64 -15.039 2.394 0.210 513 HG3 PRO 64 3HG PRO 64 -15.617 1.049 -0.800 514 HD2 PRO 64 2HD PRO 64 -12.937 1.555 -0.285 515 HD3 PRO 64 3HD PRO 64 -13.530 0.664 -1.705 516 H SER 65 H SER 65 -15.854 5.595 -1.571 517 HA SER 65 HA SER 65 -14.715 6.430 0.949 518 HB2 SER 65 2HB SER 65 -14.370 8.772 0.395 519 HB3 SER 65 3HB SER 65 -13.483 7.849 -0.815 520 HG SER 65 HG SER 65 -15.627 8.070 -2.014 521 HA PRO 66 HA PRO 66 -19.175 6.962 1.656 522 HB2 PRO 66 2HB PRO 66 -19.096 9.066 3.528 523 HB3 PRO 66 3HB PRO 66 -18.879 7.353 3.934 524 HG2 PRO 66 2HG PRO 66 -16.803 9.466 3.494 525 HG3 PRO 66 3HG PRO 66 -16.862 8.175 4.721 526 HD2 PRO 66 2HD PRO 66 -15.296 7.936 2.552 527 HD3 PRO 66 3HD PRO 66 -16.150 6.529 3.218 528 H VAL 67 H VAL 67 -20.360 7.900 0.061 529 HA VAL 67 HA VAL 67 -19.566 10.377 -1.206 530 HB VAL 67 HB VAL 67 -22.221 8.901 -1.603 531 HG11 VAL 67 1HG1 VAL 67 -22.142 11.176 -2.542 532 HG12 VAL 67 2HG1 VAL 67 -22.200 9.978 -3.831 533 HG13 VAL 67 3HG1 VAL 67 -20.676 10.777 -3.441 534 HG21 VAL 67 3HG2 VAL 67 -21.167 7.663 -3.463 535 HG22 VAL 67 1HG2 VAL 67 -20.377 7.297 -1.928 536 HG23 VAL 67 2HG2 VAL 67 -19.607 8.393 -3.076 537 H ILE 68 H ILE 68 -19.826 12.164 0.000 538 HA ILE 68 HA ILE 68 -22.089 12.408 1.852 539 HB ILE 68 HB ILE 68 -19.672 14.266 1.533 540 HG12 ILE 68 2HG1 ILE 68 -20.142 11.923 3.448 541 HG13 ILE 68 3HG1 ILE 68 -18.893 12.041 2.219 542 HG21 ILE 68 1HG2 ILE 68 -21.755 14.047 3.754 543 HG22 ILE 68 2HG2 ILE 68 -21.628 15.356 2.575 544 HG23 ILE 68 3HG2 ILE 68 -20.350 15.120 3.766 545 HD11 ILE 68 3HD1 ILE 68 -17.853 13.865 3.497 546 HD12 ILE 68 1HD1 ILE 68 -17.963 12.348 4.390 547 HD13 ILE 68 2HD1 ILE 68 -19.087 13.656 4.743 548 H ILE 69 H ILE 69 -23.843 13.474 1.243 549 HA ILE 69 HA ILE 69 -24.103 14.566 -1.365 550 HB ILE 69 HB ILE 69 -26.084 14.709 0.954 551 HG12 ILE 69 2HG1 ILE 69 -25.446 12.355 0.465 552 HG13 ILE 69 3HG1 ILE 69 -27.117 12.657 0.012 553 HG21 ILE 69 1HG2 ILE 69 -26.542 14.990 -2.039 554 HG22 ILE 69 2HG2 ILE 69 -26.662 16.277 -0.839 555 HG23 ILE 69 3HG2 ILE 69 -27.812 14.942 -0.813 556 HD11 ILE 69 3HD1 ILE 69 -24.767 12.507 -1.884 557 HD12 ILE 69 1HD1 ILE 69 -26.446 12.802 -2.343 558 HD13 ILE 69 2HD1 ILE 69 -25.987 11.260 -1.625 559 H GLY 70 H GLY 70 -24.078 16.643 -2.041 560 HA2 GLY 70 2HA GLY 70 -23.927 18.938 -2.005 561 HA3 GLY 70 3HA GLY 70 -24.117 18.918 -0.258 562 H TYR 71 H TYR 71 -21.677 16.769 -1.344 563 HA TYR 71 HA TYR 71 -19.523 18.767 -1.151 564 HB2 TYR 71 2HB TYR 71 -19.736 16.215 0.505 565 HB3 TYR 71 3HB TYR 71 -18.219 17.083 0.285 566 HD1 TYR 71 HD1 TYR 71 -21.548 17.189 1.914 567 HD2 TYR 71 HD2 TYR 71 -17.843 19.250 1.382 568 HE1 TYR 71 HE1 TYR 71 -22.098 18.673 3.792 569 HE2 TYR 71 HE2 TYR 71 -18.395 20.728 3.262 570 HH TYR 71 HH TYR 71 -20.281 21.508 4.502 571 H THR 72 H THR 72 -17.629 18.218 -2.162 572 HA THR 72 HA THR 72 -17.675 16.102 -4.226 573 HB THR 72 HB THR 72 -15.877 18.598 -4.215 574 HG1 THR 72 HG1 THR 72 -18.407 18.426 -5.503 575 HG21 THR 72 3HG2 THR 72 -16.923 16.910 -6.511 576 HG22 THR 72 1HG2 THR 72 -15.308 16.780 -5.815 577 HG23 THR 72 2HG2 THR 72 -15.801 18.264 -6.632 578 H ALA 73 H ALA 73 -16.113 14.484 -3.871 579 HA ALA 73 HA ALA 73 -14.053 14.886 -1.807 580 HB1 ALA 73 3HB ALA 73 -13.672 12.474 -2.014 581 HB2 ALA 73 1HB ALA 73 -14.773 12.396 -3.394 582 HB3 ALA 73 2HB ALA 73 -15.387 12.816 -1.795 583 H ASP 74 H ASP 74 -11.837 14.859 -2.218 584 HA ASP 74 HA ASP 74 -10.817 15.769 -4.706 585 HB2 ASP 74 2HB ASP 74 -9.536 14.680 -2.185 586 HB3 ASP 74 3HB ASP 74 -8.530 14.879 -3.616 587 H LYS 75 H LYS 75 -11.005 12.587 -3.287 588 HA LYS 75 HA LYS 75 -11.092 11.406 -5.917 589 HB2 LYS 75 2HB LYS 75 -9.579 9.474 -5.251 590 HB3 LYS 75 3HB LYS 75 -8.765 10.983 -5.594 591 HG2 LYS 75 2HG LYS 75 -9.402 10.289 -2.739 592 HG3 LYS 75 3HG LYS 75 -8.057 9.482 -3.528 593 HD2 LYS 75 2HD LYS 75 -8.364 12.488 -3.185 594 HD3 LYS 75 3HD LYS 75 -7.312 11.439 -2.233 595 HE2 LYS 75 2HE LYS 75 -6.125 10.828 -4.399 596 HE3 LYS 75 3HE LYS 75 -7.064 12.100 -5.184 597 HZ1 LYS 75 3HZ LYS 75 -4.907 12.923 -4.538 598 HZ2 LYS 75 1HZ LYS 75 -5.164 12.465 -2.929 599 HZ3 LYS 75 2HZ LYS 75 -6.098 13.697 -3.617 600 HA PRO 76 HA PRO 76 -14.470 9.740 -3.282 601 HB2 PRO 76 2HB PRO 76 -16.143 9.161 -5.375 602 HB3 PRO 76 3HB PRO 76 -15.980 10.802 -4.720 603 HG2 PRO 76 2HG PRO 76 -14.606 9.595 -7.107 604 HG3 PRO 76 3HG PRO 76 -15.476 11.142 -6.984 605 HD2 PRO 76 2HD PRO 76 -12.805 11.077 -6.825 606 HD3 PRO 76 3HD PRO 76 -13.743 12.179 -5.787 607 H MET 77 H MET 77 -12.414 8.408 -5.650 608 HA MET 77 HA MET 77 -12.652 5.741 -4.465 609 HB2 MET 77 2HB MET 77 -13.947 5.609 -6.566 610 HB3 MET 77 3HB MET 77 -12.629 6.348 -7.462 611 HG2 MET 77 2HG MET 77 -11.228 4.366 -6.998 612 HG3 MET 77 3HG MET 77 -12.591 3.614 -6.160 613 HE1 MET 77 3HE MET 77 -12.351 1.591 -9.553 614 HE2 MET 77 1HE MET 77 -12.342 1.465 -7.793 615 HE3 MET 77 2HE MET 77 -11.000 2.245 -8.630 616 H VAL 78 H VAL 78 -10.698 5.712 -3.481 617 HA VAL 78 HA VAL 78 -8.385 7.095 -4.498 618 HB VAL 78 HB VAL 78 -8.482 5.099 -2.174 619 HG11 VAL 78 1HG1 VAL 78 -6.200 5.550 -2.965 620 HG12 VAL 78 2HG1 VAL 78 -6.441 6.286 -1.382 621 HG13 VAL 78 3HG1 VAL 78 -6.467 7.289 -2.834 622 HG21 VAL 78 3HG2 VAL 78 -8.776 7.036 -0.669 623 HG22 VAL 78 1HG2 VAL 78 -10.122 6.918 -1.803 624 HG23 VAL 78 2HG2 VAL 78 -8.860 8.123 -2.057 625 H GLY 79 H GLY 79 -7.294 6.305 -6.170 626 HA2 GLY 79 2HA GLY 79 -6.444 3.490 -6.230 627 HA3 GLY 79 3HA GLY 79 -7.328 4.126 -7.610 628 HA PRO 80 HA PRO 80 -2.999 6.406 -7.551 629 HB2 PRO 80 2HB PRO 80 -1.069 5.393 -5.898 630 HB3 PRO 80 3HB PRO 80 -2.219 6.640 -5.376 631 HG2 PRO 80 2HG PRO 80 -2.319 3.681 -4.891 632 HG3 PRO 80 3HG PRO 80 -2.591 5.016 -3.746 633 HD2 PRO 80 2HD PRO 80 -4.645 3.684 -4.916 634 HD3 PRO 80 3HD PRO 80 -4.753 5.414 -4.512 635 H ASP 81 H ASP 81 -3.737 3.115 -7.707 636 HA ASP 81 HA ASP 81 -3.452 1.648 -9.378 637 HB2 ASP 81 2HB ASP 81 -1.575 3.714 -10.615 638 HB3 ASP 81 3HB ASP 81 -2.091 2.237 -11.422 639 H GLU 82 H GLU 82 -0.988 1.048 -10.789 640 HA GLU 82 HA GLU 82 -0.135 -1.091 -9.257 641 HB2 GLU 82 2HB GLU 82 1.199 0.210 -11.670 642 HB3 GLU 82 3HB GLU 82 1.755 -1.298 -10.952 643 HG2 GLU 82 2HG GLU 82 0.462 -1.952 -12.804 644 HG3 GLU 82 3HG GLU 82 -0.554 -2.254 -11.405 645 H VAL 83 H VAL 83 1.239 -1.341 -7.663 646 HA VAL 83 HA VAL 83 3.518 0.495 -7.208 647 HB VAL 83 HB VAL 83 1.960 -1.233 -5.201 648 HG11 VAL 83 1HG1 VAL 83 4.338 -1.389 -4.641 649 HG12 VAL 83 2HG1 VAL 83 3.512 -0.396 -3.445 650 HG13 VAL 83 3HG1 VAL 83 4.504 0.366 -4.692 651 HG21 VAL 83 3HG2 VAL 83 2.379 1.780 -5.288 652 HG22 VAL 83 1HG2 VAL 83 1.457 0.889 -4.070 653 HG23 VAL 83 2HG2 VAL 83 0.898 0.930 -5.741 654 H THR 84 H THR 84 5.234 -0.491 -8.193 655 HA THR 84 HA THR 84 5.654 -3.386 -7.879 656 HB THR 84 HB THR 84 7.364 -1.420 -9.477 657 HG1 THR 84 HG1 THR 84 5.486 -3.151 -10.687 658 HG21 THR 84 3HG2 THR 84 8.444 -3.602 -8.932 659 HG22 THR 84 1HG2 THR 84 8.169 -3.411 -10.658 660 HG23 THR 84 2HG2 THR 84 7.103 -4.450 -9.708 661 H VAL 85 H VAL 85 7.003 -4.094 -6.343 662 HA VAL 85 HA VAL 85 9.094 -2.323 -5.203 663 HB VAL 85 HB VAL 85 7.433 -4.463 -3.745 664 HG11 VAL 85 1HG1 VAL 85 9.759 -4.617 -2.980 665 HG12 VAL 85 2HG1 VAL 85 8.746 -3.931 -1.713 666 HG13 VAL 85 3HG1 VAL 85 9.801 -2.881 -2.665 667 HG21 VAL 85 3HG2 VAL 85 6.690 -2.604 -2.290 668 HG22 VAL 85 1HG2 VAL 85 6.274 -2.293 -3.976 669 HG23 VAL 85 2HG2 VAL 85 7.646 -1.461 -3.241 670 H ASP 86 H ASP 86 11.003 -3.013 -5.933 671 HA ASP 86 HA ASP 86 11.469 -5.794 -6.702 672 HB2 ASP 86 2HB ASP 86 13.602 -4.987 -7.682 673 HB3 ASP 86 3HB ASP 86 12.230 -4.092 -8.301 674 H SER 87 H SER 87 13.790 -6.518 -6.178 675 HA SER 87 HA SER 87 13.804 -7.248 -3.474 676 HB2 SER 87 2HB SER 87 16.119 -7.433 -5.444 677 HB3 SER 87 3HB SER 87 15.920 -8.383 -3.969 678 HG SER 87 HG SER 87 13.727 -8.569 -5.528 679 H LYS 88 H LYS 88 15.398 -4.559 -5.051 680 HA LYS 88 HA LYS 88 17.355 -4.142 -2.931 681 HB2 LYS 88 2HB LYS 88 16.760 -2.428 -5.386 682 HB3 LYS 88 3HB LYS 88 18.094 -2.180 -4.267 683 HG2 LYS 88 2HG LYS 88 19.142 -3.277 -6.031 684 HG3 LYS 88 3HG LYS 88 18.813 -4.599 -4.918 685 HD2 LYS 88 2HD LYS 88 18.113 -5.562 -6.910 686 HD3 LYS 88 3HD LYS 88 16.592 -4.855 -6.373 687 HE2 LYS 88 2HE LYS 88 18.501 -3.685 -8.436 688 HE3 LYS 88 3HE LYS 88 16.942 -4.434 -8.756 689 HZ1 LYS 88 3HZ LYS 88 16.784 -2.045 -8.837 690 HZ2 LYS 88 1HZ LYS 88 17.372 -1.908 -7.264 691 HZ3 LYS 88 2HZ LYS 88 15.874 -2.637 -7.537 692 H ASN 89 H ASN 89 14.323 -2.605 -4.060 693 HA ASN 89 HA ASN 89 14.369 -0.788 -1.725 694 HB2 ASN 89 2HB ASN 89 12.727 0.538 -2.743 695 HB3 ASN 89 3HB ASN 89 13.657 -0.013 -4.121 696 HD21 ASN 89 1HD2 ASN 89 10.596 -0.208 -2.467 697 HD22 ASN 89 2HD2 ASN 89 9.736 -1.004 -3.738 698 H PHE 90 H PHE 90 13.718 -3.878 -2.060 699 HA PHE 90 HA PHE 90 11.157 -4.328 -1.015 700 HB2 PHE 90 2HB PHE 90 12.410 -6.130 -2.050 701 HB3 PHE 90 3HB PHE 90 13.693 -6.005 -0.850 702 HD1 PHE 90 HD1 PHE 90 10.013 -6.692 -1.130 703 HD2 PHE 90 HD2 PHE 90 13.635 -7.466 1.005 704 HE1 PHE 90 HE1 PHE 90 8.843 -8.336 0.266 705 HE2 PHE 90 HE2 PHE 90 12.459 -9.115 2.393 706 HZ PHE 90 HZ PHE 90 10.060 -9.549 2.017 707 H LEU 91 H LEU 91 14.077 -3.274 0.534 708 HA LEU 91 HA LEU 91 13.298 -3.931 3.235 709 HB2 LEU 91 2HB LEU 91 15.476 -2.067 2.196 710 HB3 LEU 91 3HB LEU 91 15.257 -2.510 3.879 711 HG LEU 91 HG LEU 91 17.056 -3.856 3.135 712 HD11 LEU 91 1HD1 LEU 91 14.625 -5.670 2.974 713 HD12 LEU 91 2HD1 LEU 91 15.430 -5.145 4.451 714 HD13 LEU 91 3HD1 LEU 91 16.284 -6.175 3.307 715 HD21 LEU 91 3HD2 LEU 91 16.838 -3.525 0.701 716 HD22 LEU 91 1HD2 LEU 91 15.495 -4.673 0.654 717 HD23 LEU 91 2HD2 LEU 91 17.113 -5.217 1.103 718 H ASP 92 H ASP 92 12.685 -1.368 1.010 719 HA ASP 92 HA ASP 92 11.591 0.456 3.033 720 HB2 ASP 92 2HB ASP 92 11.880 0.786 0.007 721 HB3 ASP 92 3HB ASP 92 11.225 2.009 1.091 722 H LYS 93 H LYS 93 9.523 0.028 3.643 723 HA LYS 93 HA LYS 93 7.471 -0.818 1.745 724 HB2 LYS 93 2HB LYS 93 5.888 -0.431 3.668 725 HB3 LYS 93 3HB LYS 93 7.174 -1.575 4.014 726 HG2 LYS 93 2HG LYS 93 8.415 0.280 5.176 727 HG3 LYS 93 3HG LYS 93 6.976 1.285 4.982 728 HD2 LYS 93 2HD LYS 93 5.655 -0.328 6.308 729 HD3 LYS 93 3HD LYS 93 7.069 -1.376 6.466 730 HE2 LYS 93 2HE LYS 93 6.769 -0.088 8.504 731 HE3 LYS 93 3HE LYS 93 8.241 0.447 7.692 732 HZ1 LYS 93 3HZ LYS 93 6.974 2.315 6.779 733 HZ2 LYS 93 1HZ LYS 93 6.985 2.320 8.470 734 HZ3 LYS 93 2HZ LYS 93 5.605 1.806 7.642 735 H GLN 94 H GLN 94 6.337 0.529 0.534 736 HA GLN 94 HA GLN 94 6.846 3.400 0.618 737 HB2 GLN 94 2HB GLN 94 5.033 1.950 -1.357 738 HB3 GLN 94 3HB GLN 94 5.889 3.470 -1.577 739 HG2 GLN 94 2HG GLN 94 8.053 2.176 -1.557 740 HG3 GLN 94 3HG GLN 94 7.099 0.689 -1.518 741 HE21 GLN 94 1HE2 GLN 94 8.965 1.491 -3.578 742 HE22 GLN 94 2HE2 GLN 94 8.075 1.615 -5.048 743 H ASN 95 H ASN 95 5.459 2.606 2.908 744 HA ASN 95 HA ASN 95 2.652 2.517 2.634 745 HB2 ASN 95 2HB ASN 95 2.552 2.828 5.105 746 HB3 ASN 95 3HB ASN 95 3.654 1.549 4.618 747 HD21 ASN 95 1HD2 ASN 95 3.488 3.258 7.086 748 HD22 ASN 95 2HD2 ASN 95 5.074 3.919 7.263 749 H ARG 96 H ARG 96 1.250 4.044 2.317 750 HA ARG 96 HA ARG 96 2.052 6.899 2.355 751 HB2 ARG 96 2HB ARG 96 1.683 5.771 0.098 752 HB3 ARG 96 3HB ARG 96 0.014 5.480 0.564 753 HG2 ARG 96 2HG ARG 96 0.112 7.390 -0.902 754 HG3 ARG 96 3HG ARG 96 -0.342 7.945 0.714 755 HD2 ARG 96 2HD ARG 96 1.331 9.421 -0.397 756 HD3 ARG 96 3HD ARG 96 1.923 8.739 1.123 757 HE ARG 96 HE ARG 96 2.723 7.026 -0.928 758 HH11 ARG 96 1HH1 ARG 96 3.403 10.332 0.014 759 HH12 ARG 96 2HH1 ARG 96 4.996 10.323 -0.663 760 HH21 ARG 96 1HH2 ARG 96 4.843 6.987 -1.726 761 HH22 ARG 96 2HH2 ARG 96 5.816 8.426 -1.649 762 H GLU 97 H GLU 97 0.575 8.364 3.264 763 HA GLU 97 HA GLU 97 -1.960 7.267 4.359 764 HB2 GLU 97 2HB GLU 97 -0.434 8.005 6.155 765 HB3 GLU 97 3HB GLU 97 -0.274 9.591 5.407 766 HG2 GLU 97 2HG GLU 97 -2.707 9.976 5.772 767 HG3 GLU 97 3HG GLU 97 -2.816 8.416 6.585 768 H GLU 98 H GLU 98 -3.510 7.802 2.941 769 HA GLU 98 HA GLU 98 -3.489 10.405 1.590 770 HB2 GLU 98 2HB GLU 98 -4.960 7.813 1.154 771 HB3 GLU 98 3HB GLU 98 -5.771 9.284 0.643 772 HG2 GLU 98 2HG GLU 98 -3.037 8.368 -0.293 773 HG3 GLU 98 3HG GLU 98 -4.544 8.221 -1.198 774 H THR 99 H THR 99 -5.215 11.759 1.631 775 HA THR 99 HA THR 99 -7.358 11.484 3.612 776 HB THR 99 HB THR 99 -5.541 13.948 3.415 777 HG1 THR 99 HG1 THR 99 -4.838 12.103 4.691 778 HG21 THR 99 3HG2 THR 99 -8.037 13.560 5.122 779 HG22 THR 99 1HG2 THR 99 -7.888 14.659 3.760 780 HG23 THR 99 2HG2 THR 99 -6.926 14.931 5.215 781 H VAL 100 H VAL 100 -9.067 11.410 2.166 782 HA VAL 100 HA VAL 100 -9.097 13.150 -0.181 783 HB VAL 100 HB VAL 100 -11.085 12.136 -0.885 784 HG11 VAL 100 1HG1 VAL 100 -10.881 9.698 -0.563 785 HG12 VAL 100 2HG1 VAL 100 -9.789 9.965 0.799 786 HG13 VAL 100 3HG1 VAL 100 -9.310 10.456 -0.825 787 HG21 VAL 100 3HG2 VAL 100 -12.532 12.608 1.020 788 HG22 VAL 100 1HG2 VAL 100 -11.769 11.327 1.962 789 HG23 VAL 100 2HG2 VAL 100 -12.721 10.926 0.530 790 H ILE 101 H ILE 101 -10.180 15.132 -0.303 791 HA ILE 101 HA ILE 101 -11.358 16.165 2.224 792 HB ILE 101 HB ILE 101 -9.988 17.686 -0.032 793 HG12 ILE 101 2HG1 ILE 101 -8.433 16.572 1.533 794 HG13 ILE 101 3HG1 ILE 101 -8.335 18.318 1.701 795 HG21 ILE 101 1HG2 ILE 101 -11.365 18.843 2.412 796 HG22 ILE 101 2HG2 ILE 101 -11.884 19.023 0.735 797 HG23 ILE 101 3HG2 ILE 101 -10.371 19.752 1.272 798 HD11 ILE 101 3HD1 ILE 101 -9.773 16.429 3.578 799 HD12 ILE 101 1HD1 ILE 101 -9.688 18.184 3.756 800 HD13 ILE 101 2HD1 ILE 101 -8.221 17.214 3.863 801 H TYR 102 H TYR 102 -13.422 16.340 2.257 802 HA TYR 102 HA TYR 102 -15.122 16.522 -0.093 803 HB2 TYR 102 2HB TYR 102 -15.802 16.463 2.882 804 HB3 TYR 102 3HB TYR 102 -16.980 16.395 1.575 805 HD1 TYR 102 HD2 TYR 102 -16.945 14.385 0.000 806 HD2 TYR 102 HD1 TYR 102 -14.701 14.468 3.637 807 HE1 TYR 102 HE2 TYR 102 -16.717 11.940 -0.070 808 HE2 TYR 102 HE1 TYR 102 -14.475 12.033 3.552 809 HH TYR 102 HH TYR 102 -15.391 10.201 0.774 810 H SER 103 H SER 103 -15.212 18.480 -0.992 811 HA SER 103 HA SER 103 -15.486 20.904 0.681 812 HB2 SER 103 2HB SER 103 -14.591 22.120 -1.351 813 HB3 SER 103 3HB SER 103 -13.425 21.023 -0.613 814 HG SER 103 HG SER 103 -15.049 20.328 -2.835 815 H ALA 104 H ALA 104 -17.340 22.043 0.386 816 HA ALA 104 HA ALA 104 -19.619 20.777 -0.472 817 HB1 ALA 104 3HB ALA 104 -19.173 23.747 -0.105 818 HB2 ALA 104 1HB ALA 104 -19.608 22.583 1.148 819 HB3 ALA 104 2HB ALA 104 -20.745 22.944 -0.151 820 H ASN 105 H ASN 105 -20.705 20.531 -2.309 821 HA ASN 105 HA ASN 105 -19.641 20.797 -4.865 822 HB2 ASN 105 2HB ASN 105 -22.464 20.352 -3.858 823 HB3 ASN 105 3HB ASN 105 -22.138 20.396 -5.580 824 HD21 ASN 105 1HD2 ASN 105 -23.178 18.237 -3.915 825 HD22 ASN 105 2HD2 ASN 105 -22.100 16.910 -4.151 826 H THR 106 H THR 106 -21.087 21.755 -6.719 827 HA THR 106 HA THR 106 -20.869 24.574 -6.741 828 HB THR 106 HB THR 106 -20.689 23.112 -8.786 829 HG1 THR 106 HG1 THR 106 -22.229 25.444 -8.673 830 HG21 THR 106 3HG2 THR 106 -22.614 21.627 -8.391 831 HG22 THR 106 1HG2 THR 106 -22.737 22.415 -9.967 832 HG23 THR 106 2HG2 THR 106 -23.717 22.985 -8.616 833 H ILE 107 H ILE 107 -23.332 22.555 -5.519 834 HA ILE 107 HA ILE 107 -25.694 23.983 -5.878 835 HB ILE 107 HB ILE 107 -24.839 22.411 -3.396 836 HG12 ILE 107 2HG1 ILE 107 -24.697 21.011 -5.421 837 HG13 ILE 107 3HG1 ILE 107 -26.018 20.475 -4.394 838 HG21 ILE 107 1HG2 ILE 107 -27.649 23.150 -4.297 839 HG22 ILE 107 2HG2 ILE 107 -26.793 23.821 -2.910 840 HG23 ILE 107 3HG2 ILE 107 -27.247 22.118 -2.924 841 HD11 ILE 107 3HD1 ILE 107 -27.623 21.579 -5.904 842 HD12 ILE 107 1HD1 ILE 107 -26.635 20.380 -6.736 843 HD13 ILE 107 2HD1 ILE 107 -26.286 22.095 -6.934 844 H THR 108 H THR 108 -23.250 24.264 -3.287 845 HA THR 108 HA THR 108 -24.545 26.449 -1.936 846 HB THR 108 HB THR 108 -22.979 24.721 -0.873 847 HG1 THR 108 HG1 THR 108 -22.904 26.110 0.703 848 HG21 THR 108 3HG2 THR 108 -20.802 26.566 -1.936 849 HG22 THR 108 1HG2 THR 108 -21.085 24.914 -2.482 850 HG23 THR 108 2HG2 THR 108 -20.574 25.219 -0.823 851 H GLN 109 H GLN 109 -22.458 26.195 -4.622 852 HA GLN 109 HA GLN 109 -21.534 28.981 -4.607 853 HB2 GLN 109 2HB GLN 109 -21.097 26.803 -6.703 854 HB3 GLN 109 3HB GLN 109 -20.198 28.308 -6.535 855 HG2 GLN 109 2HG GLN 109 -19.208 27.499 -4.439 856 HG3 GLN 109 3HG GLN 109 -20.152 26.012 -4.563 857 HE21 GLN 109 1HE2 GLN 109 -18.581 27.625 -7.314 858 HE22 GLN 109 2HE2 GLN 109 -17.415 26.383 -7.593 859 H ASN 110 H ASN 110 -21.620 29.643 -7.262 860 HA ASN 110 HA ASN 110 -24.428 29.467 -8.155 861 HB2 ASN 110 2HB ASN 110 -22.066 31.090 -9.212 862 HB3 ASN 110 3HB ASN 110 -23.663 31.082 -9.954 863 HD21 ASN 110 1HD2 ASN 110 -21.801 32.111 -7.194 864 HD22 ASN 110 2HD2 ASN 110 -22.963 33.215 -6.555 865 H LYS 111 H LYS 111 -24.370 29.314 -10.771 866 HA LYS 111 HA LYS 111 -23.325 26.666 -11.380 867 HB2 LYS 111 2HB LYS 111 -25.039 28.602 -12.991 868 HB3 LYS 111 3HB LYS 111 -24.479 27.058 -13.617 869 HG2 LYS 111 2HG LYS 111 -26.773 26.812 -12.893 870 HG3 LYS 111 3HG LYS 111 -25.724 25.886 -11.823 871 HD2 LYS 111 2HD LYS 111 -25.903 27.609 -10.089 872 HD3 LYS 111 3HD LYS 111 -26.869 28.626 -11.160 873 HE2 LYS 111 2HE LYS 111 -28.701 27.022 -11.112 874 HE3 LYS 111 3HE LYS 111 -27.722 25.866 -10.209 875 HZ1 LYS 111 3HZ LYS 111 -29.243 27.038 -8.753 876 HZ2 LYS 111 1HZ LYS 111 -28.584 28.534 -9.210 877 HZ3 LYS 111 2HZ LYS 111 -27.643 27.417 -8.364 878 H LYS 112 H LYS 112 -21.157 26.948 -11.451 879 HA LYS 112 HA LYS 112 -19.200 26.839 -12.583 880 HB2 LYS 112 2HB LYS 112 -20.250 28.821 -14.646 881 HB3 LYS 112 3HB LYS 112 -18.756 27.888 -14.750 882 HG2 LYS 112 2HG LYS 112 -20.086 25.807 -14.777 883 HG3 LYS 112 3HG LYS 112 -21.559 26.781 -14.735 884 HD2 LYS 112 2HD LYS 112 -20.849 27.831 -16.913 885 HD3 LYS 112 3HD LYS 112 -19.478 26.716 -16.957 886 HE2 LYS 112 2HE LYS 112 -21.036 24.801 -17.010 887 HE3 LYS 112 3HE LYS 112 -22.407 25.911 -16.934 888 HZ1 LYS 112 3HZ LYS 112 -22.052 25.242 -19.187 889 HZ2 LYS 112 1HZ LYS 112 -20.425 25.710 -19.137 890 HZ3 LYS 112 2HZ LYS 112 -21.644 26.877 -19.049 891 H ASP 113 H ASP 113 -20.764 29.830 -12.126 892 HA ASP 113 HA ASP 113 -20.139 31.973 -11.726 893 HB2 ASP 113 2HB ASP 113 -18.941 32.171 -9.427 894 HB3 ASP 113 3HB ASP 113 -20.520 31.421 -9.494 895 H GLY 114 H GLY 114 -17.010 30.976 -10.418 896 HA2 GLY 114 2HA GLY 114 -14.862 31.544 -10.944 897 HA3 GLY 114 3HA GLY 114 -15.354 31.481 -12.623 898 H LEU 115 H LEU 115 -16.549 33.678 -10.099 899 HA LEU 115 HA LEU 115 -16.334 35.908 -11.911 900 HB2 LEU 115 2HB LEU 115 -17.226 35.925 -9.006 901 HB3 LEU 115 3HB LEU 115 -17.513 37.187 -10.192 902 HG LEU 115 HG LEU 115 -18.706 34.392 -10.262 903 HD11 LEU 115 1HD1 LEU 115 -19.661 35.750 -8.464 904 HD12 LEU 115 2HD1 LEU 115 -20.842 35.463 -9.737 905 HD13 LEU 115 3HD1 LEU 115 -20.048 37.034 -9.615 906 HD21 LEU 115 3HD2 LEU 115 -20.077 35.203 -12.141 907 HD22 LEU 115 1HD2 LEU 115 -18.360 35.229 -12.531 908 HD23 LEU 115 2HD2 LEU 115 -19.196 36.733 -12.134 909 H GLU 116 H GLU 116 -15.457 36.008 -8.449 910 HA GLU 116 HA GLU 116 -12.686 36.555 -8.863 911 HB2 GLU 116 2HB GLU 116 -12.950 38.979 -7.757 912 HB3 GLU 116 3HB GLU 116 -13.019 38.750 -9.491 913 HG2 GLU 116 2HG GLU 116 -14.715 40.331 -8.744 914 HG3 GLU 116 3HG GLU 116 -15.453 38.917 -9.470 915 H HIS 117 H HIS 117 -15.457 36.292 -6.808 916 HA HIS 117 HA HIS 117 -15.884 36.058 -4.622 917 HB2 HIS 117 2HB HIS 117 -12.994 35.099 -4.397 918 HB3 HIS 117 3HB HIS 117 -14.149 35.067 -3.071 919 HD1 HIS 117 HD1 HIS 117 -12.676 32.788 -5.148 920 HD2 HIS 117 HD2 HIS 117 -16.659 33.576 -4.287 921 HE1 HIS 117 HE1 HIS 117 -13.905 30.668 -5.672 922 HE2 HIS 117 HE2 HIS 117 -16.324 31.218 -5.290 923 H HIS 118 H HIS 118 -16.343 38.031 -3.824 924 HA HIS 118 HA HIS 118 -14.516 40.148 -3.327 925 HB2 HIS 118 2HB HIS 118 -17.226 39.541 -2.056 926 HB3 HIS 118 3HB HIS 118 -16.330 41.026 -1.777 927 HD1 HIS 118 HD1 HIS 118 -15.936 42.541 -3.978 928 HD2 HIS 118 HD2 HIS 118 -18.890 39.637 -4.252 929 HE1 HIS 118 HE1 HIS 118 -17.374 43.221 -5.919 930 HE2 HIS 118 HE2 HIS 118 -19.039 41.364 -6.172 931 H HIS 119 H HIS 119 -13.558 40.795 -1.327 932 HA HIS 119 HA HIS 119 -12.425 38.784 0.289 933 HB2 HIS 119 2HB HIS 119 -12.665 41.780 0.824 934 HB3 HIS 119 3HB HIS 119 -11.638 40.683 1.739 935 HD1 HIS 119 HD1 HIS 119 -11.691 42.757 -1.295 936 HD2 HIS 119 HD2 HIS 119 -9.396 39.643 0.210 937 HE1 HIS 119 HE1 HIS 119 -9.604 42.736 -2.684 938 HE2 HIS 119 HE2 HIS 119 -8.164 40.947 -1.657 939 H HIS 120 H HIS 120 -13.067 37.854 2.210 940 HA HIS 120 HA HIS 120 -15.840 38.221 3.015 941 HB2 HIS 120 2HB HIS 120 -15.444 36.200 4.471 942 HB3 HIS 120 3HB HIS 120 -15.146 35.937 2.763 943 HD1 HIS 120 HD1 HIS 120 -13.075 36.697 5.886 944 HD2 HIS 120 HD2 HIS 120 -12.847 34.598 2.311 945 HE1 HIS 120 HE1 HIS 120 -10.859 35.534 5.931 946 HE2 HIS 120 HE2 HIS 120 -10.843 34.107 3.864 947 H HIS 121 H HIS 121 -14.947 40.494 3.649 948 HA HIS 121 HA HIS 121 -14.905 40.631 6.568 949 HB2 HIS 121 2HB HIS 121 -12.852 42.077 4.806 950 HB3 HIS 121 3HB HIS 121 -13.138 42.455 6.505 951 HD1 HIS 121 HD1 HIS 121 -11.291 40.142 4.292 952 HD2 HIS 121 HD2 HIS 121 -12.253 40.380 8.327 953 HE1 HIS 121 HE1 HIS 121 -9.814 38.467 5.433 954 HE2 HIS 121 HE2 HIS 121 -10.270 38.775 7.885 955 H HIS 122 H HIS 122 -17.047 41.308 6.405 956 HA HIS 122 HA HIS 122 -17.668 43.747 4.833 957 HB2 HIS 122 2HB HIS 122 -19.530 41.445 5.614 958 HB3 HIS 122 3HB HIS 122 -20.022 42.896 4.739 959 HD1 HIS 122 HD1 HIS 122 -19.858 42.762 2.233 960 HD2 HIS 122 HD2 HIS 122 -17.621 39.808 4.106 961 HE1 HIS 122 HE1 HIS 122 -19.016 41.286 0.394 962 HE2 HIS 122 HE2 HIS 122 -17.906 39.375 1.578 Start of MODEL 19 1 H1 MET 1 1H MET 1 21.139 -28.970 0.917 2 H2 MET 1 2H MET 1 21.277 -30.291 1.963 3 H3 MET 1 3H MET 1 21.150 -28.726 2.584 4 HA MET 1 HA MET 1 19.067 -30.044 0.971 5 HB2 MET 1 2HB MET 1 19.426 -31.169 3.198 6 HB3 MET 1 3HB MET 1 19.141 -29.631 4.000 7 HG2 MET 1 2HG MET 1 16.844 -29.593 3.091 8 HG3 MET 1 3HG MET 1 17.134 -31.148 2.310 9 HE1 MET 1 3HE MET 1 14.656 -32.105 5.198 10 HE2 MET 1 1HE MET 1 14.995 -32.253 3.472 11 HE3 MET 1 2HE MET 1 14.641 -30.673 4.170 12 H ILE 2 H ILE 2 17.428 -28.685 0.409 13 HA ILE 2 HA ILE 2 17.552 -25.857 1.333 14 HB ILE 2 HB ILE 2 16.556 -26.963 -1.354 15 HG12 ILE 2 2HG1 ILE 2 19.053 -27.009 -1.133 16 HG13 ILE 2 3HG1 ILE 2 18.513 -25.903 -2.385 17 HG21 ILE 2 1HG2 ILE 2 16.753 -24.066 -0.428 18 HG22 ILE 2 2HG2 ILE 2 15.271 -24.976 -0.723 19 HG23 ILE 2 3HG2 ILE 2 16.345 -24.593 -2.064 20 HD11 ILE 2 3HD1 ILE 2 20.373 -24.963 -1.120 21 HD12 ILE 2 1HD1 ILE 2 19.458 -25.115 0.380 22 HD13 ILE 2 2HD1 ILE 2 18.918 -24.002 -0.875 23 H GLU 3 H GLU 3 15.546 -24.822 1.811 24 HA GLU 3 HA GLU 3 13.056 -26.399 1.572 25 HB2 GLU 3 2HB GLU 3 12.236 -25.499 3.726 26 HB3 GLU 3 3HB GLU 3 13.674 -26.488 3.959 27 HG2 GLU 3 2HG GLU 3 15.049 -24.534 4.301 28 HG3 GLU 3 3HG GLU 3 13.735 -23.464 3.814 29 HA PRO 4 HA PRO 4 11.430 -22.535 -0.204 30 HB2 PRO 4 2HB PRO 4 8.737 -23.348 0.832 31 HB3 PRO 4 3HB PRO 4 9.278 -23.096 -0.841 32 HG2 PRO 4 2HG PRO 4 8.774 -25.550 0.067 33 HG3 PRO 4 3HG PRO 4 10.114 -25.242 -1.062 34 HD2 PRO 4 2HD PRO 4 10.232 -25.629 1.935 35 HD3 PRO 4 3HD PRO 4 11.262 -26.329 0.658 36 H ILE 5 H ILE 5 11.296 -20.496 0.619 37 HA ILE 5 HA ILE 5 10.192 -19.940 3.275 38 HB ILE 5 HB ILE 5 12.179 -18.350 3.703 39 HG12 ILE 5 2HG1 ILE 5 13.680 -20.154 1.758 40 HG13 ILE 5 3HG1 ILE 5 13.021 -18.598 1.280 41 HG21 ILE 5 1HG2 ILE 5 11.891 -20.352 5.047 42 HG22 ILE 5 2HG2 ILE 5 13.609 -20.077 4.742 43 HG23 ILE 5 3HG2 ILE 5 12.742 -21.327 3.846 44 HD11 ILE 5 3HD1 ILE 5 15.369 -18.450 1.738 45 HD12 ILE 5 1HD1 ILE 5 15.125 -19.061 3.371 46 HD13 ILE 5 2HD1 ILE 5 14.461 -17.500 2.910 47 H LYS 6 H LYS 6 9.207 -17.993 3.294 48 HA LYS 6 HA LYS 6 9.476 -16.159 0.998 49 HB2 LYS 6 2HB LYS 6 6.934 -17.420 2.026 50 HB3 LYS 6 3HB LYS 6 6.890 -15.842 1.315 51 HG2 LYS 6 2HG LYS 6 6.187 -17.409 -0.302 52 HG3 LYS 6 3HG LYS 6 7.757 -16.804 -0.801 53 HD2 LYS 6 2HD LYS 6 8.817 -18.870 -0.049 54 HD3 LYS 6 3HD LYS 6 7.317 -19.441 0.671 55 HE2 LYS 6 2HE LYS 6 7.785 -19.013 -2.293 56 HE3 LYS 6 3HE LYS 6 7.856 -20.569 -1.472 57 HZ1 LYS 6 3HZ LYS 6 5.504 -18.819 -1.805 58 HZ2 LYS 6 1HZ LYS 6 5.525 -20.175 -0.795 59 HZ3 LYS 6 2HZ LYS 6 5.751 -20.355 -2.464 60 H ARG 7 H ARG 7 8.915 -14.006 1.475 61 HA ARG 7 HA ARG 7 8.471 -13.240 4.298 62 HB2 ARG 7 2HB ARG 7 10.126 -11.772 2.186 63 HB3 ARG 7 3HB ARG 7 9.672 -11.077 3.737 64 HG2 ARG 7 2HG ARG 7 11.512 -13.417 3.255 65 HG3 ARG 7 3HG ARG 7 11.956 -11.821 3.848 66 HD2 ARG 7 2HD ARG 7 10.275 -13.890 5.308 67 HD3 ARG 7 3HD ARG 7 11.936 -13.424 5.683 68 HE ARG 7 HE ARG 7 10.311 -11.134 5.784 69 HH11 ARG 7 1HH1 ARG 7 10.799 -14.087 7.642 70 HH12 ARG 7 2HH1 ARG 7 10.284 -13.365 9.135 71 HH21 ARG 7 1HH2 ARG 7 9.634 -10.220 7.720 72 HH22 ARG 7 2HH2 ARG 7 9.617 -11.160 9.180 73 H THR 8 H THR 8 7.078 -11.458 4.595 74 HA THR 8 HA THR 8 5.312 -10.768 2.317 75 HB THR 8 HB THR 8 4.476 -11.118 5.250 76 HG1 THR 8 HG1 THR 8 3.817 -13.110 4.747 77 HG21 THR 8 3HG2 THR 8 2.178 -11.041 4.362 78 HG22 THR 8 1HG2 THR 8 2.805 -10.779 2.731 79 HG23 THR 8 2HG2 THR 8 3.042 -9.554 3.976 80 H GLN 9 H GLN 9 5.903 -8.687 1.861 81 HA GLN 9 HA GLN 9 6.253 -6.759 4.094 82 HB2 GLN 9 2HB GLN 9 8.083 -6.918 2.319 83 HB3 GLN 9 3HB GLN 9 6.923 -6.324 1.141 84 HG2 GLN 9 2HG GLN 9 8.331 -4.506 1.871 85 HG3 GLN 9 3HG GLN 9 6.698 -4.233 2.479 86 HE21 GLN 9 1HE2 GLN 9 9.981 -5.140 3.373 87 HE22 GLN 9 2HE2 GLN 9 9.794 -4.879 5.069 88 H VAL 10 H VAL 10 4.958 -4.864 4.125 89 HA VAL 10 HA VAL 10 2.846 -4.686 2.066 90 HB VAL 10 HB VAL 10 1.257 -3.769 3.724 91 HG11 VAL 10 1HG1 VAL 10 0.688 -5.897 4.848 92 HG12 VAL 10 2HG1 VAL 10 2.284 -6.536 4.457 93 HG13 VAL 10 3HG1 VAL 10 1.148 -6.152 3.165 94 HG21 VAL 10 3HG2 VAL 10 1.659 -3.967 6.157 95 HG22 VAL 10 1HG2 VAL 10 2.828 -2.882 5.402 96 HG23 VAL 10 2HG2 VAL 10 3.307 -4.520 5.846 97 H VAL 11 H VAL 11 3.002 -2.907 0.912 98 HA VAL 11 HA VAL 11 4.152 -0.441 2.063 99 HB VAL 11 HB VAL 11 3.425 -1.180 -0.822 100 HG11 VAL 11 1HG1 VAL 11 2.868 1.178 -0.480 101 HG12 VAL 11 2HG1 VAL 11 4.314 1.043 -1.481 102 HG13 VAL 11 3HG1 VAL 11 4.458 1.487 0.221 103 HG21 VAL 11 3HG2 VAL 11 5.864 -0.908 -1.232 104 HG22 VAL 11 1HG2 VAL 11 5.533 -2.167 -0.040 105 HG23 VAL 11 2HG2 VAL 11 6.117 -0.588 0.485 106 H THR 12 H THR 12 2.757 0.883 2.966 107 HA THR 12 HA THR 12 -0.134 0.439 2.695 108 HB THR 12 HB THR 12 -0.172 1.832 4.840 109 HG1 THR 12 HG1 THR 12 2.016 2.741 4.374 110 HG21 THR 12 3HG2 THR 12 0.679 0.011 6.285 111 HG22 THR 12 1HG2 THR 12 1.499 -0.712 4.895 112 HG23 THR 12 2HG2 THR 12 -0.264 -0.632 4.943 113 H GLN 13 H GLN 13 -1.614 2.206 2.363 114 HA GLN 13 HA GLN 13 -0.446 4.810 1.572 115 HB2 GLN 13 2HB GLN 13 -1.390 3.387 -0.353 116 HB3 GLN 13 3HB GLN 13 -2.974 3.588 0.381 117 HG2 GLN 13 2HG GLN 13 -2.751 6.039 0.133 118 HG3 GLN 13 3HG GLN 13 -1.180 5.808 -0.622 119 HE21 GLN 13 1HE2 GLN 13 -1.738 6.704 -2.567 120 HE22 GLN 13 2HE2 GLN 13 -2.838 5.979 -3.677 121 H THR 14 H THR 14 -0.943 6.136 3.218 122 HA THR 14 HA THR 14 -3.237 5.713 4.944 123 HB THR 14 HB THR 14 -2.262 7.842 6.081 124 HG1 THR 14 HG1 THR 14 -0.314 8.545 5.402 125 HG21 THR 14 3HG2 THR 14 -1.816 5.621 7.016 126 HG22 THR 14 1HG2 THR 14 -0.394 6.647 7.131 127 HG23 THR 14 2HG2 THR 14 -0.477 5.394 5.885 128 H ILE 15 H ILE 15 -5.174 6.309 4.044 129 HA ILE 15 HA ILE 15 -5.405 8.970 2.794 130 HB ILE 15 HB ILE 15 -7.256 6.561 2.651 131 HG12 ILE 15 2HG1 ILE 15 -7.195 7.074 0.186 132 HG13 ILE 15 3HG1 ILE 15 -6.115 8.429 0.501 133 HG21 ILE 15 1HG2 ILE 15 -8.091 9.413 1.979 134 HG22 ILE 15 2HG2 ILE 15 -8.757 8.397 3.257 135 HG23 ILE 15 3HG2 ILE 15 -9.009 7.960 1.572 136 HD11 ILE 15 3HD1 ILE 15 -4.399 6.910 1.254 137 HD12 ILE 15 1HD1 ILE 15 -4.965 6.461 -0.354 138 HD13 ILE 15 2HD1 ILE 15 -5.493 5.535 1.053 139 H HIS 16 H HIS 16 -6.345 10.602 3.734 140 HA HIS 16 HA HIS 16 -7.760 10.298 6.322 141 HB2 HIS 16 2HB HIS 16 -6.373 12.760 5.134 142 HB3 HIS 16 3HB HIS 16 -7.156 12.672 6.710 143 HD1 HIS 16 HD1 HIS 16 -5.456 12.632 8.489 144 HD2 HIS 16 HD2 HIS 16 -4.130 10.586 5.112 145 HE1 HIS 16 HE1 HIS 16 -3.120 11.895 9.029 146 HE2 HIS 16 HE2 HIS 16 -2.318 10.704 6.957 147 H TYR 17 H TYR 17 -9.922 10.685 6.142 148 HA TYR 17 HA TYR 17 -10.994 12.138 3.801 149 HB2 TYR 17 2HB TYR 17 -12.411 10.509 5.974 150 HB3 TYR 17 3HB TYR 17 -13.220 11.314 4.630 151 HD1 TYR 17 HD1 TYR 17 -12.697 10.557 2.263 152 HD2 TYR 17 HD2 TYR 17 -11.447 8.308 5.669 153 HE1 TYR 17 HE1 TYR 17 -12.309 8.613 0.832 154 HE2 TYR 17 HE2 TYR 17 -11.092 6.362 4.224 155 HH TYR 17 HH TYR 17 -11.166 6.575 0.781 156 H ARG 18 H ARG 18 -11.479 14.227 4.066 157 HA ARG 18 HA ARG 18 -12.340 15.288 6.667 158 HB2 ARG 18 2HB ARG 18 -9.867 16.220 5.157 159 HB3 ARG 18 3HB ARG 18 -10.784 17.369 6.137 160 HG2 ARG 18 2HG ARG 18 -10.495 15.930 8.102 161 HG3 ARG 18 3HG ARG 18 -9.575 14.787 7.121 162 HD2 ARG 18 2HD ARG 18 -8.118 16.133 8.423 163 HD3 ARG 18 3HD ARG 18 -7.864 16.512 6.725 164 HE ARG 18 HE ARG 18 -9.678 18.336 7.997 165 HH11 ARG 18 1HH1 ARG 18 -6.237 17.645 7.613 166 HH12 ARG 18 2HH1 ARG 18 -5.752 19.278 7.932 167 HH21 ARG 18 1HH2 ARG 18 -8.984 20.469 8.499 168 HH22 ARG 18 2HH2 ARG 18 -7.301 20.869 8.433 169 H TYR 19 H TYR 19 -12.569 17.860 6.182 170 HA TYR 19 HA TYR 19 -14.403 18.092 3.838 171 HB2 TYR 19 2HB TYR 19 -14.620 19.324 6.622 172 HB3 TYR 19 3HB TYR 19 -15.664 19.759 5.274 173 HD1 TYR 19 HD1 TYR 19 -17.129 17.898 4.228 174 HD2 TYR 19 HD2 TYR 19 -15.179 17.413 8.004 175 HE1 TYR 19 HE1 TYR 19 -18.661 16.077 4.812 176 HE2 TYR 19 HE2 TYR 19 -16.734 15.604 8.569 177 HH TYR 19 HH TYR 19 -18.794 14.188 6.279 178 H GLU 20 H GLU 20 -14.689 20.228 3.029 179 HA GLU 20 HA GLU 20 -12.367 21.779 2.566 180 HB2 GLU 20 2HB GLU 20 -13.876 23.361 1.432 181 HB3 GLU 20 3HB GLU 20 -14.330 21.706 1.006 182 HG2 GLU 20 2HG GLU 20 -16.235 21.762 2.429 183 HG3 GLU 20 3HG GLU 20 -15.702 23.241 3.219 184 H ASP 21 H ASP 21 -14.855 21.837 4.991 185 HA ASP 21 HA ASP 21 -14.428 24.364 6.217 186 HB2 ASP 21 2HB ASP 21 -16.490 23.085 6.508 187 HB3 ASP 21 3HB ASP 21 -15.618 21.726 7.205 188 H GLY 22 H GLY 22 -12.605 21.429 6.207 189 HA2 GLY 22 2HA GLY 22 -10.425 21.170 7.107 190 HA3 GLY 22 3HA GLY 22 -10.796 22.389 8.324 191 H ALA 23 H ALA 23 -13.519 20.828 8.551 192 HA ALA 23 HA ALA 23 -12.971 19.354 10.878 193 HB1 ALA 23 3HB ALA 23 -15.173 20.321 10.378 194 HB2 ALA 23 1HB ALA 23 -15.314 18.593 10.703 195 HB3 ALA 23 2HB ALA 23 -15.385 19.190 9.040 196 H VAL 24 H VAL 24 -13.132 17.019 11.244 197 HA VAL 24 HA VAL 24 -11.882 15.453 9.102 198 HB VAL 24 HB VAL 24 -12.302 14.621 12.016 199 HG11 VAL 24 1HG1 VAL 24 -10.530 12.964 11.557 200 HG12 VAL 24 2HG1 VAL 24 -10.428 13.510 9.882 201 HG13 VAL 24 3HG1 VAL 24 -11.902 12.744 10.474 202 HG21 VAL 24 3HG2 VAL 24 -10.953 16.681 11.944 203 HG22 VAL 24 1HG2 VAL 24 -9.839 15.946 10.790 204 HG23 VAL 24 2HG2 VAL 24 -9.959 15.314 12.435 205 H ALA 25 H ALA 25 -12.861 13.821 8.068 206 HA ALA 25 HA ALA 25 -15.683 13.166 8.689 207 HB1 ALA 25 3HB ALA 25 -15.743 12.179 6.420 208 HB2 ALA 25 1HB ALA 25 -14.029 12.546 6.214 209 HB3 ALA 25 2HB ALA 25 -15.198 13.858 6.381 210 H HIS 26 H HIS 26 -12.664 11.461 7.780 211 HA HIS 26 HA HIS 26 -12.951 9.459 9.836 212 HB2 HIS 26 2HB HIS 26 -13.463 8.760 6.938 213 HB3 HIS 26 3HB HIS 26 -12.544 7.603 7.894 214 HD1 HIS 26 HD1 HIS 26 -15.950 8.604 7.100 215 HD2 HIS 26 HD2 HIS 26 -14.043 6.622 10.203 216 HE1 HIS 26 HE1 HIS 26 -17.752 7.299 8.259 217 HE2 HIS 26 HE2 HIS 26 -16.585 6.154 10.176 218 H ASP 27 H ASP 27 -10.954 10.140 10.606 219 HA ASP 27 HA ASP 27 -8.593 10.279 8.896 220 HB2 ASP 27 2HB ASP 27 -8.863 11.798 10.860 221 HB3 ASP 27 3HB ASP 27 -8.829 10.411 11.943 222 H ASP 28 H ASP 28 -6.927 8.783 8.856 223 HA ASP 28 HA ASP 28 -5.856 6.830 8.833 224 HB2 ASP 28 2HB ASP 28 -5.737 7.035 11.272 225 HB3 ASP 28 3HB ASP 28 -7.296 6.236 11.444 226 H HIS 29 H HIS 29 -6.854 6.282 6.914 227 HA HIS 29 HA HIS 29 -8.358 3.770 7.083 228 HB2 HIS 29 2HB HIS 29 -10.023 5.554 6.570 229 HB3 HIS 29 3HB HIS 29 -9.049 6.071 5.199 230 HD1 HIS 29 HD1 HIS 29 -11.383 3.332 6.285 231 HD2 HIS 29 HD2 HIS 29 -9.310 4.488 2.882 232 HE1 HIS 29 HE1 HIS 29 -12.397 2.025 4.404 233 HE2 HIS 29 HE2 HIS 29 -11.309 2.946 2.349 234 H VAL 30 H VAL 30 -6.602 2.590 6.541 235 HA VAL 30 HA VAL 30 -4.745 3.555 4.442 236 HB VAL 30 HB VAL 30 -4.143 1.710 6.812 237 HG11 VAL 30 1HG1 VAL 30 -2.256 3.101 4.874 238 HG12 VAL 30 2HG1 VAL 30 -2.628 1.377 4.913 239 HG13 VAL 30 3HG1 VAL 30 -1.776 2.118 6.264 240 HG21 VAL 30 3HG2 VAL 30 -4.741 3.964 7.622 241 HG22 VAL 30 1HG2 VAL 30 -3.536 4.689 6.559 242 HG23 VAL 30 2HG2 VAL 30 -3.030 3.639 7.886 243 H VAL 31 H VAL 31 -4.377 2.225 2.706 244 HA VAL 31 HA VAL 31 -5.397 -0.563 2.767 245 HB VAL 31 HB VAL 31 -6.429 0.878 1.010 246 HG11 VAL 31 1HG1 VAL 31 -5.135 1.642 -0.955 247 HG12 VAL 31 2HG1 VAL 31 -3.640 1.113 -0.181 248 HG13 VAL 31 3HG1 VAL 31 -4.586 2.419 0.531 249 HG21 VAL 31 3HG2 VAL 31 -6.144 -0.700 -0.868 250 HG22 VAL 31 1HG2 VAL 31 -6.266 -1.554 0.670 251 HG23 VAL 31 2HG2 VAL 31 -4.694 -1.361 -0.109 252 H SER 32 H SER 32 -3.952 -2.232 2.340 253 HA SER 32 HA SER 32 -1.082 -1.492 2.142 254 HB2 SER 32 2HB SER 32 -2.349 -3.947 3.448 255 HB3 SER 32 3HB SER 32 -0.624 -3.559 3.419 256 HG SER 32 HG SER 32 -2.540 -1.784 4.509 257 H LEU 33 H LEU 33 0.070 -2.342 0.525 258 HA LEU 33 HA LEU 33 -1.029 -4.414 -1.271 259 HB2 LEU 33 2HB LEU 33 1.476 -2.696 -1.505 260 HB3 LEU 33 3HB LEU 33 0.933 -3.854 -2.709 261 HG LEU 33 HG LEU 33 -0.514 -1.310 -1.916 262 HD11 LEU 33 1HD1 LEU 33 1.511 -0.848 -3.180 263 HD12 LEU 33 2HD1 LEU 33 0.101 -0.545 -4.194 264 HD13 LEU 33 3HD1 LEU 33 1.043 -2.023 -4.415 265 HD21 LEU 33 3HD2 LEU 33 -2.048 -1.791 -3.799 266 HD22 LEU 33 1HD2 LEU 33 -2.142 -3.034 -2.553 267 HD23 LEU 33 2HD2 LEU 33 -1.259 -3.350 -4.046 268 H ILE 34 H ILE 34 -0.340 -6.483 -1.065 269 HA ILE 34 HA ILE 34 1.722 -7.125 0.954 270 HB ILE 34 HB ILE 34 -0.654 -8.740 -0.104 271 HG12 ILE 34 2HG1 ILE 34 -1.252 -8.860 2.382 272 HG13 ILE 34 3HG1 ILE 34 0.047 -7.720 2.698 273 HG21 ILE 34 1HG2 ILE 34 1.205 -10.318 0.061 274 HG22 ILE 34 2HG2 ILE 34 0.053 -10.629 1.355 275 HG23 ILE 34 3HG2 ILE 34 1.562 -9.785 1.705 276 HD11 ILE 34 3HD1 ILE 34 -2.139 -6.653 2.694 277 HD12 ILE 34 1HD1 ILE 34 -2.416 -7.171 1.031 278 HD13 ILE 34 2HD1 ILE 34 -1.130 -6.018 1.398 279 H PHE 35 H PHE 35 3.636 -7.291 -0.066 280 HA PHE 35 HA PHE 35 3.923 -8.644 -2.657 281 HB2 PHE 35 2HB PHE 35 5.988 -7.121 -0.997 282 HB3 PHE 35 3HB PHE 35 6.209 -7.719 -2.639 283 HD1 PHE 35 HD2 PHE 35 4.544 -5.142 -0.559 284 HD2 PHE 35 HD1 PHE 35 5.217 -6.545 -4.544 285 HE1 PHE 35 HE2 PHE 35 3.730 -3.007 -1.463 286 HE2 PHE 35 HE1 PHE 35 4.395 -4.407 -5.433 287 HZ PHE 35 HZ PHE 35 3.666 -2.626 -3.894 288 H THR 36 H THR 36 3.995 -10.807 -2.406 289 HA THR 36 HA THR 36 5.415 -12.130 -0.228 290 HB THR 36 HB THR 36 4.228 -13.442 -2.714 291 HG1 THR 36 HG1 THR 36 2.442 -12.574 -1.892 292 HG21 THR 36 3HG2 THR 36 4.034 -15.431 -1.259 293 HG22 THR 36 1HG2 THR 36 4.759 -14.541 0.086 294 HG23 THR 36 2HG2 THR 36 5.710 -14.900 -1.355 295 H GLN 37 H GLN 37 7.553 -11.818 -0.357 296 HA GLN 37 HA GLN 37 9.081 -12.161 -2.812 297 HB2 GLN 37 2HB GLN 37 9.841 -10.462 -1.239 298 HB3 GLN 37 3HB GLN 37 9.866 -11.623 0.080 299 HG2 GLN 37 2HG GLN 37 11.713 -12.847 -1.160 300 HG3 GLN 37 3HG GLN 37 11.753 -11.488 -2.287 301 HE21 GLN 37 1HE2 GLN 37 12.597 -9.515 -1.578 302 HE22 GLN 37 2HE2 GLN 37 13.490 -9.355 -0.107 303 H SER 38 H SER 38 9.220 -14.253 -3.478 304 HA SER 38 HA SER 38 9.440 -16.421 -1.511 305 HB2 SER 38 2HB SER 38 9.290 -17.864 -3.619 306 HB3 SER 38 3HB SER 38 7.880 -16.865 -3.271 307 HG SER 38 HG SER 38 8.231 -16.435 -5.353 308 H GLY 39 H GLY 39 11.237 -17.616 -1.199 309 HA2 GLY 39 2HA GLY 39 13.547 -17.489 -3.003 310 HA3 GLY 39 3HA GLY 39 13.805 -16.831 -1.385 311 H LYS 40 H LYS 40 15.439 -18.637 -1.329 312 HA LYS 40 HA LYS 40 14.216 -21.125 -0.339 313 HB2 LYS 40 2HB LYS 40 15.746 -22.519 -1.701 314 HB3 LYS 40 3HB LYS 40 14.630 -21.596 -2.683 315 HG2 LYS 40 2HG LYS 40 16.545 -21.308 -3.923 316 HG3 LYS 40 3HG LYS 40 16.694 -19.914 -2.857 317 HD2 LYS 40 2HD LYS 40 18.258 -21.147 -1.413 318 HD3 LYS 40 3HD LYS 40 18.062 -22.601 -2.389 319 HE2 LYS 40 2HE LYS 40 19.284 -19.979 -3.304 320 HE3 LYS 40 3HE LYS 40 20.167 -21.449 -2.916 321 HZ1 LYS 40 3HZ LYS 40 19.067 -22.536 -4.765 322 HZ2 LYS 40 1HZ LYS 40 19.909 -21.155 -5.269 323 HZ3 LYS 40 2HZ LYS 40 18.227 -21.112 -5.119 324 H ARG 41 H ARG 41 15.328 -22.119 1.341 325 HA ARG 41 HA ARG 41 17.566 -20.549 2.468 326 HB2 ARG 41 2HB ARG 41 15.506 -20.694 3.892 327 HB3 ARG 41 3HB ARG 41 15.652 -22.443 3.920 328 HG2 ARG 41 2HG ARG 41 17.841 -22.224 5.065 329 HG3 ARG 41 3HG ARG 41 17.651 -20.473 5.074 330 HD2 ARG 41 2HD ARG 41 15.801 -22.433 6.475 331 HD3 ARG 41 3HD ARG 41 17.086 -21.519 7.253 332 HE ARG 41 HE ARG 41 15.084 -19.926 5.871 333 HH11 ARG 41 2HH1 ARG 41 15.986 -21.349 8.971 334 HH12 ARG 41 1HH1 ARG 41 15.018 -20.242 9.892 335 HH21 ARG 41 2HH2 ARG 41 13.858 -18.466 7.081 336 HH22 ARG 41 1HH2 ARG 41 13.799 -18.600 8.815 337 H ASP 42 H ASP 42 19.461 -21.426 2.305 338 HA ASP 42 HA ASP 42 20.089 -24.200 1.885 339 HB2 ASP 42 2HB ASP 42 21.517 -22.420 1.033 340 HB3 ASP 42 3HB ASP 42 21.693 -21.710 2.620 341 H LEU 43 H LEU 43 19.853 -25.653 3.520 342 HA LEU 43 HA LEU 43 19.631 -24.814 6.292 343 HB2 LEU 43 2HB LEU 43 19.212 -27.506 4.937 344 HB3 LEU 43 3HB LEU 43 18.989 -27.239 6.660 345 HG LEU 43 HG LEU 43 17.417 -25.850 4.460 346 HD11 LEU 43 1HD1 LEU 43 15.491 -27.171 5.238 347 HD12 LEU 43 2HD1 LEU 43 16.532 -28.032 6.376 348 HD13 LEU 43 3HD1 LEU 43 16.788 -28.201 4.638 349 HD21 LEU 43 3HD2 LEU 43 17.688 -24.365 6.377 350 HD22 LEU 43 1HD2 LEU 43 17.139 -25.631 7.482 351 HD23 LEU 43 2HD2 LEU 43 16.025 -24.935 6.304 352 H THR 44 H THR 44 22.324 -25.657 4.506 353 HA THR 44 HA THR 44 23.569 -27.273 6.631 354 HB THR 44 HB THR 44 24.114 -28.065 4.430 355 HG1 THR 44 HG1 THR 44 25.837 -27.706 6.216 356 HG21 THR 44 3HG2 THR 44 23.865 -26.016 3.107 357 HG22 THR 44 1HG2 THR 44 25.429 -26.779 2.804 358 HG23 THR 44 2HG2 THR 44 25.331 -25.356 3.842 359 H ASN 45 H ASN 45 23.894 -24.023 5.234 360 HA ASN 45 HA ASN 45 25.641 -23.184 7.488 361 HB2 ASN 45 2HB ASN 45 24.675 -21.485 5.122 362 HB3 ASN 45 3HB ASN 45 25.885 -21.027 6.315 363 HD21 ASN 45 1HD2 ASN 45 25.304 -22.573 3.340 364 HD22 ASN 45 2HD2 ASN 45 26.925 -23.051 3.021 365 H GLY 46 H GLY 46 22.383 -22.922 6.168 366 HA2 GLY 46 2HA GLY 46 20.434 -22.270 7.367 367 HA3 GLY 46 3HA GLY 46 21.430 -21.420 8.541 368 H LYS 47 H LYS 47 22.556 -20.749 5.487 369 HA LYS 47 HA LYS 47 21.792 -17.999 5.587 370 HB2 LYS 47 2HB LYS 47 23.131 -17.791 3.502 371 HB3 LYS 47 3HB LYS 47 24.010 -18.634 4.770 372 HG2 LYS 47 2HG LYS 47 23.523 -20.780 3.704 373 HG3 LYS 47 3HG LYS 47 22.633 -19.950 2.427 374 HD2 LYS 47 2HD LYS 47 25.567 -19.407 3.002 375 HD3 LYS 47 3HD LYS 47 25.032 -20.652 1.876 376 HE2 LYS 47 2HE LYS 47 25.521 -18.754 0.538 377 HE3 LYS 47 3HE LYS 47 23.761 -18.805 0.650 378 HZ1 LYS 47 3HZ LYS 47 25.519 -17.065 2.289 379 HZ2 LYS 47 1HZ LYS 47 23.826 -17.070 2.286 380 HZ3 LYS 47 2HZ LYS 47 24.663 -16.570 0.920 381 H GLU 48 H GLU 48 20.178 -16.948 4.482 382 HA GLU 48 HA GLU 48 18.298 -18.577 2.874 383 HB2 GLU 48 2HB GLU 48 17.975 -15.953 4.369 384 HB3 GLU 48 3HB GLU 48 16.717 -16.639 3.343 385 HG2 GLU 48 2HG GLU 48 16.675 -18.654 4.795 386 HG3 GLU 48 3HG GLU 48 17.888 -17.898 5.822 387 H ILE 49 H ILE 49 18.499 -18.378 0.773 388 HA ILE 49 HA ILE 49 19.823 -16.039 -0.417 389 HB ILE 49 HB ILE 49 19.120 -18.714 -1.733 390 HG12 ILE 49 2HG1 ILE 49 21.735 -18.912 -1.817 391 HG13 ILE 49 3HG1 ILE 49 21.747 -17.662 -0.580 392 HG21 ILE 49 1HG2 ILE 49 20.682 -16.355 -2.858 393 HG22 ILE 49 2HG2 ILE 49 19.079 -16.890 -3.361 394 HG23 ILE 49 3HG2 ILE 49 20.478 -17.920 -3.653 395 HD11 ILE 49 3HD1 ILE 49 21.992 -19.890 0.368 396 HD12 ILE 49 1HD1 ILE 49 20.449 -20.379 -0.329 397 HD13 ILE 49 2HD1 ILE 49 20.500 -19.134 0.924 398 H TRP 50 H TRP 50 18.340 -14.460 -0.617 399 HA TRP 50 HA TRP 50 15.807 -14.955 -2.045 400 HB2 TRP 50 2HB TRP 50 16.769 -12.390 -0.679 401 HB3 TRP 50 3HB TRP 50 15.144 -12.741 -1.264 402 HD1 TRP 50 HD1 TRP 50 17.438 -13.347 1.720 403 HE1 TRP 50 HE1 TRP 50 16.083 -14.411 3.624 404 HE3 TRP 50 HE3 TRP 50 13.164 -14.397 -0.826 405 HZ2 TRP 50 HZ2 TRP 50 13.526 -15.530 4.017 406 HZ3 TRP 50 HZ3 TRP 50 11.314 -15.472 0.368 407 HH2 TRP 50 HH2 TRP 50 11.473 -16.035 2.730 408 H ASP 51 H ASP 51 15.851 -14.563 -4.172 409 HA ASP 51 HA ASP 51 18.207 -13.608 -5.502 410 HB2 ASP 51 2HB ASP 51 15.435 -14.297 -6.587 411 HB3 ASP 51 3HB ASP 51 16.789 -13.803 -7.610 412 H SER 52 H SER 52 18.702 -11.607 -6.121 413 HA SER 52 HA SER 52 17.153 -9.276 -5.636 414 HB2 SER 52 2HB SER 52 18.932 -8.136 -7.064 415 HB3 SER 52 3HB SER 52 19.598 -9.136 -5.769 416 HG SER 52 HG SER 52 20.309 -10.561 -7.198 417 H LYS 53 H LYS 53 17.355 -11.498 -8.302 418 HA LYS 53 HA LYS 53 16.170 -9.987 -10.385 419 HB2 LYS 53 2HB LYS 53 15.986 -12.992 -9.917 420 HB3 LYS 53 3HB LYS 53 15.709 -12.167 -11.445 421 HG2 LYS 53 2HG LYS 53 18.095 -11.461 -11.462 422 HG3 LYS 53 3HG LYS 53 18.343 -12.363 -9.965 423 HD2 LYS 53 2HD LYS 53 17.589 -14.455 -11.184 424 HD3 LYS 53 3HD LYS 53 17.572 -13.512 -12.677 425 HE2 LYS 53 2HE LYS 53 19.978 -14.095 -10.925 426 HE3 LYS 53 3HE LYS 53 19.650 -14.764 -12.522 427 HZ1 LYS 53 3HZ LYS 53 20.184 -11.910 -11.908 428 HZ2 LYS 53 1HZ LYS 53 19.845 -12.535 -13.444 429 HZ3 LYS 53 2HZ LYS 53 21.263 -12.987 -12.636 430 H TRP 54 H TRP 54 14.808 -11.490 -7.555 431 HA TRP 54 HA TRP 54 12.107 -11.654 -8.500 432 HB2 TRP 54 2HB TRP 54 12.964 -13.039 -6.573 433 HB3 TRP 54 3HB TRP 54 13.048 -11.576 -5.590 434 HD1 TRP 54 HD1 TRP 54 10.771 -10.787 -4.448 435 HE1 TRP 54 HE1 TRP 54 8.353 -11.663 -4.484 436 HE3 TRP 54 HE3 TRP 54 11.222 -14.268 -8.172 437 HZ2 TRP 54 HZ2 TRP 54 6.843 -13.574 -5.891 438 HZ3 TRP 54 HZ3 TRP 54 9.240 -15.575 -8.810 439 HH2 TRP 54 HH2 TRP 54 7.093 -15.235 -7.690 440 H SER 55 H SER 55 10.730 -10.069 -8.711 441 HA SER 55 HA SER 55 10.527 -7.856 -6.859 442 HB2 SER 55 2HB SER 55 10.399 -6.188 -8.786 443 HB3 SER 55 3HB SER 55 12.008 -6.817 -8.455 444 HG SER 55 HG SER 55 11.904 -8.090 -10.228 445 H LEU 56 H LEU 56 8.476 -7.002 -6.802 446 HA LEU 56 HA LEU 56 6.377 -8.210 -8.478 447 HB2 LEU 56 2HB LEU 56 6.843 -9.254 -6.035 448 HB3 LEU 56 3HB LEU 56 5.921 -7.867 -5.487 449 HG LEU 56 HG LEU 56 4.900 -10.038 -7.373 450 HD11 LEU 56 1HD1 LEU 56 3.523 -10.773 -5.478 451 HD12 LEU 56 2HD1 LEU 56 4.267 -9.555 -4.443 452 HD13 LEU 56 3HD1 LEU 56 5.241 -10.875 -5.096 453 HD21 LEU 56 3HD2 LEU 56 3.369 -7.709 -6.158 454 HD22 LEU 56 1HD2 LEU 56 2.676 -9.021 -7.116 455 HD23 LEU 56 2HD2 LEU 56 3.801 -7.889 -7.859 456 H THR 57 H THR 57 5.140 -6.572 -9.289 457 HA THR 57 HA THR 57 5.166 -3.934 -7.938 458 HB THR 57 HB THR 57 4.411 -4.520 -10.844 459 HG1 THR 57 HG1 THR 57 6.617 -4.894 -10.444 460 HG21 THR 57 3HG2 THR 57 4.594 -2.078 -11.138 461 HG22 THR 57 1HG2 THR 57 4.966 -1.886 -9.413 462 HG23 THR 57 2HG2 THR 57 3.380 -2.460 -9.924 463 H GLN 58 H GLN 58 3.334 -3.276 -7.001 464 HA GLN 58 HA GLN 58 0.729 -4.266 -7.964 465 HB2 GLN 58 2HB GLN 58 1.588 -3.965 -5.046 466 HB3 GLN 58 3HB GLN 58 -0.078 -4.222 -5.563 467 HG2 GLN 58 2HG GLN 58 0.494 -6.398 -6.477 468 HG3 GLN 58 3HG GLN 58 2.196 -6.138 -6.104 469 HE21 GLN 58 1HE2 GLN 58 0.387 -8.253 -5.249 470 HE22 GLN 58 2HE2 GLN 58 0.404 -8.231 -3.525 471 H THR 59 H THR 59 -0.825 -2.740 -8.038 472 HA THR 59 HA THR 59 0.076 0.055 -7.863 473 HB THR 59 HB THR 59 -2.221 -1.257 -9.394 474 HG1 THR 59 HG1 THR 59 0.170 -1.484 -9.968 475 HG21 THR 59 3HG2 THR 59 -2.430 0.878 -10.581 476 HG22 THR 59 1HG2 THR 59 -1.205 1.601 -9.529 477 HG23 THR 59 2HG2 THR 59 -2.756 1.091 -8.864 478 H PHE 60 H PHE 60 -0.795 1.408 -6.314 479 HA PHE 60 HA PHE 60 -3.088 0.754 -4.706 480 HB2 PHE 60 2HB PHE 60 -1.601 3.380 -5.140 481 HB3 PHE 60 3HB PHE 60 -2.988 3.242 -4.068 482 HD1 PHE 60 HD1 PHE 60 -2.747 1.072 -2.393 483 HD2 PHE 60 HD2 PHE 60 0.467 3.374 -4.020 484 HE1 PHE 60 HE1 PHE 60 -1.320 0.437 -0.494 485 HE2 PHE 60 HE2 PHE 60 1.884 2.730 -2.115 486 HZ PHE 60 HZ PHE 60 0.990 1.270 -0.354 487 H GLU 61 H GLU 61 -4.911 0.451 -5.758 488 HA GLU 61 HA GLU 61 -6.134 2.590 -7.343 489 HB2 GLU 61 2HB GLU 61 -6.813 0.963 -9.129 490 HB3 GLU 61 3HB GLU 61 -5.072 1.207 -9.071 491 HG2 GLU 61 2HG GLU 61 -4.824 -0.922 -7.823 492 HG3 GLU 61 3HG GLU 61 -6.565 -1.168 -7.914 493 H ALA 62 H ALA 62 -8.344 2.604 -7.109 494 HA ALA 62 HA ALA 62 -10.410 2.272 -6.269 495 HB1 ALA 62 3HB ALA 62 -10.364 0.015 -7.276 496 HB2 ALA 62 1HB ALA 62 -11.243 0.008 -5.746 497 HB3 ALA 62 2HB ALA 62 -9.602 -0.636 -5.827 498 H LEU 63 H LEU 63 -10.769 3.372 -4.436 499 HA LEU 63 HA LEU 63 -9.542 2.483 -1.895 500 HB2 LEU 63 2HB LEU 63 -8.576 4.623 -3.255 501 HB3 LEU 63 3HB LEU 63 -9.891 5.437 -2.432 502 HG LEU 63 HG LEU 63 -7.816 5.717 -1.188 503 HD11 LEU 63 1HD1 LEU 63 -9.860 5.554 0.177 504 HD12 LEU 63 2HD1 LEU 63 -8.458 4.934 1.040 505 HD13 LEU 63 3HD1 LEU 63 -9.627 3.812 0.342 506 HD21 LEU 63 3HD2 LEU 63 -6.604 3.741 -1.995 507 HD22 LEU 63 1HD2 LEU 63 -7.647 2.684 -1.037 508 HD23 LEU 63 2HD2 LEU 63 -6.562 3.824 -0.238 509 HA PRO 64 HA PRO 64 -14.093 2.541 -1.182 510 HB2 PRO 64 2HB PRO 64 -14.006 1.394 1.347 511 HB3 PRO 64 3HB PRO 64 -13.906 0.466 -0.158 512 HG2 PRO 64 2HG PRO 64 -11.690 1.379 1.634 513 HG3 PRO 64 3HG PRO 64 -11.931 -0.202 0.854 514 HD2 PRO 64 2HD PRO 64 -10.214 1.612 -0.154 515 HD3 PRO 64 3HD PRO 64 -11.171 0.556 -1.220 516 H SER 65 H SER 65 -14.675 4.643 -0.995 517 HA SER 65 HA SER 65 -13.879 6.272 1.320 518 HB2 SER 65 2HB SER 65 -15.181 7.086 -1.322 519 HB3 SER 65 3HB SER 65 -14.661 8.203 -0.056 520 HG SER 65 HG SER 65 -13.096 6.596 -1.769 521 HA PRO 66 HA PRO 66 -18.029 5.766 3.120 522 HB2 PRO 66 2HB PRO 66 -17.933 7.917 4.881 523 HB3 PRO 66 3HB PRO 66 -17.132 6.370 5.208 524 HG2 PRO 66 2HG PRO 66 -15.965 8.901 4.102 525 HG3 PRO 66 3HG PRO 66 -15.318 7.809 5.356 526 HD2 PRO 66 2HD PRO 66 -14.412 7.697 2.835 527 HD3 PRO 66 3HD PRO 66 -14.608 6.218 3.800 528 H VAL 67 H VAL 67 -19.770 6.343 1.932 529 HA VAL 67 HA VAL 67 -19.967 8.725 0.361 530 HB VAL 67 HB VAL 67 -22.114 6.674 1.117 531 HG11 VAL 67 1HG1 VAL 67 -23.131 8.814 0.449 532 HG12 VAL 67 2HG1 VAL 67 -23.423 7.582 -0.775 533 HG13 VAL 67 3HG1 VAL 67 -22.193 8.818 -1.046 534 HG21 VAL 67 3HG2 VAL 67 -21.685 5.696 -1.123 535 HG22 VAL 67 1HG2 VAL 67 -20.220 5.692 -0.142 536 HG23 VAL 67 2HG2 VAL 67 -20.421 6.892 -1.417 537 H ILE 68 H ILE 68 -20.081 10.633 1.392 538 HA ILE 68 HA ILE 68 -21.799 10.982 3.772 539 HB ILE 68 HB ILE 68 -19.799 13.014 2.642 540 HG12 ILE 68 2HG1 ILE 68 -19.333 10.970 4.874 541 HG13 ILE 68 3HG1 ILE 68 -18.585 10.923 3.281 542 HG21 ILE 68 1HG2 ILE 68 -21.105 12.769 5.395 543 HG22 ILE 68 2HG2 ILE 68 -21.558 13.928 4.144 544 HG23 ILE 68 3HG2 ILE 68 -19.969 14.029 4.899 545 HD11 ILE 68 3HD1 ILE 68 -17.424 13.006 3.763 546 HD12 ILE 68 1HD1 ILE 68 -17.075 11.762 4.966 547 HD13 ILE 68 2HD1 ILE 68 -18.197 13.068 5.350 548 H ILE 69 H ILE 69 -23.804 11.710 3.334 549 HA ILE 69 HA ILE 69 -24.533 12.780 0.761 550 HB ILE 69 HB ILE 69 -26.223 12.432 3.280 551 HG12 ILE 69 2HG1 ILE 69 -25.394 10.262 2.464 552 HG13 ILE 69 3HG1 ILE 69 -27.112 10.389 2.119 553 HG21 ILE 69 1HG2 ILE 69 -27.116 12.994 0.424 554 HG22 ILE 69 2HG2 ILE 69 -27.224 14.110 1.784 555 HG23 ILE 69 3HG2 ILE 69 -28.190 12.637 1.781 556 HD11 ILE 69 3HD1 ILE 69 -26.582 10.936 -0.232 557 HD12 ILE 69 1HD1 ILE 69 -25.937 9.368 0.252 558 HD13 ILE 69 2HD1 ILE 69 -24.864 10.761 0.127 559 H GLY 70 H GLY 70 -25.126 14.865 0.269 560 HA2 GLY 70 2HA GLY 70 -25.267 17.150 0.451 561 HA3 GLY 70 3HA GLY 70 -24.983 17.038 2.188 562 H TYR 71 H TYR 71 -22.659 15.226 0.529 563 HA TYR 71 HA TYR 71 -20.765 17.446 0.166 564 HB2 TYR 71 2HB TYR 71 -20.235 15.072 2.014 565 HB3 TYR 71 3HB TYR 71 -18.996 16.198 1.470 566 HD1 TYR 71 HD1 TYR 71 -19.013 18.577 2.278 567 HD2 TYR 71 HD2 TYR 71 -21.820 15.715 3.768 568 HE1 TYR 71 HE1 TYR 71 -19.565 20.065 4.149 569 HE2 TYR 71 HE2 TYR 71 -22.342 17.204 5.636 570 HH TYR 71 HH TYR 71 -21.268 20.470 5.750 571 H THR 72 H THR 72 -18.783 16.737 -0.893 572 HA THR 72 HA THR 72 -18.863 14.212 -2.369 573 HB THR 72 HB THR 72 -18.644 16.920 -3.808 574 HG1 THR 72 HG1 THR 72 -20.812 15.175 -3.372 575 HG21 THR 72 3HG2 THR 72 -18.786 15.579 -5.872 576 HG22 THR 72 1HG2 THR 72 -18.816 14.091 -4.922 577 HG23 THR 72 2HG2 THR 72 -17.375 15.111 -4.926 578 H ALA 73 H ALA 73 -16.861 13.396 -2.090 579 HA ALA 73 HA ALA 73 -14.561 14.855 -1.255 580 HB1 ALA 73 3HB ALA 73 -14.794 12.445 -0.792 581 HB2 ALA 73 1HB ALA 73 -13.324 12.749 -1.719 582 HB3 ALA 73 2HB ALA 73 -14.754 12.092 -2.517 583 H ASP 74 H ASP 74 -12.749 15.450 -2.457 584 HA ASP 74 HA ASP 74 -13.109 16.250 -5.180 585 HB2 ASP 74 2HB ASP 74 -11.693 17.569 -3.650 586 HB3 ASP 74 3HB ASP 74 -10.602 16.199 -3.432 587 H LYS 75 H LYS 75 -11.495 13.588 -3.518 588 HA LYS 75 HA LYS 75 -11.754 12.014 -5.956 589 HB2 LYS 75 2HB LYS 75 -9.574 10.886 -5.663 590 HB3 LYS 75 3HB LYS 75 -9.409 12.579 -6.067 591 HG2 LYS 75 2HG LYS 75 -9.253 11.795 -3.170 592 HG3 LYS 75 3HG LYS 75 -7.881 11.419 -4.203 593 HD2 LYS 75 2HD LYS 75 -9.063 14.200 -3.798 594 HD3 LYS 75 3HD LYS 75 -7.623 13.586 -2.987 595 HE2 LYS 75 2HE LYS 75 -7.963 14.026 -5.961 596 HE3 LYS 75 3HE LYS 75 -6.987 15.002 -4.869 597 HZ1 LYS 75 3HZ LYS 75 -5.579 13.522 -6.047 598 HZ2 LYS 75 1HZ LYS 75 -6.532 12.182 -5.651 599 HZ3 LYS 75 2HZ LYS 75 -5.653 12.970 -4.447 600 HA PRO 76 HA PRO 76 -13.332 9.142 -2.728 601 HB2 PRO 76 2HB PRO 76 -15.350 8.156 -4.284 602 HB3 PRO 76 3HB PRO 76 -15.548 9.648 -3.343 603 HG2 PRO 76 2HG PRO 76 -14.888 9.329 -6.248 604 HG3 PRO 76 3HG PRO 76 -16.077 10.410 -5.484 605 HD2 PRO 76 2HD PRO 76 -13.625 11.270 -6.277 606 HD3 PRO 76 3HD PRO 76 -14.458 11.961 -4.863 607 H MET 77 H MET 77 -11.871 9.149 -5.797 608 HA MET 77 HA MET 77 -11.157 6.279 -5.643 609 HB2 MET 77 2HB MET 77 -12.683 6.601 -7.546 610 HB3 MET 77 3HB MET 77 -11.741 7.974 -8.112 611 HG2 MET 77 2HG MET 77 -11.343 6.001 -9.480 612 HG3 MET 77 3HG MET 77 -9.871 6.496 -8.642 613 HE1 MET 77 3HE MET 77 -10.372 3.568 -10.051 614 HE2 MET 77 1HE MET 77 -9.528 2.580 -8.851 615 HE3 MET 77 2HE MET 77 -8.856 4.129 -9.347 616 H VAL 78 H VAL 78 -9.038 6.073 -5.332 617 HA VAL 78 HA VAL 78 -7.137 8.224 -5.856 618 HB VAL 78 HB VAL 78 -6.877 5.472 -4.544 619 HG11 VAL 78 1HG1 VAL 78 -4.807 5.794 -5.823 620 HG12 VAL 78 2HG1 VAL 78 -4.480 5.964 -4.101 621 HG13 VAL 78 3HG1 VAL 78 -4.588 7.398 -5.125 622 HG21 VAL 78 3HG2 VAL 78 -6.270 6.815 -2.538 623 HG22 VAL 78 1HG2 VAL 78 -7.859 7.259 -3.159 624 HG23 VAL 78 2HG2 VAL 78 -6.469 8.302 -3.469 625 H GLY 79 H GLY 79 -5.954 8.377 -7.616 626 HA2 GLY 79 2HA GLY 79 -6.137 6.715 -9.894 627 HA3 GLY 79 3HA GLY 79 -4.989 8.027 -9.643 628 HA PRO 80 HA PRO 80 -3.352 3.495 -9.383 629 HB2 PRO 80 2HB PRO 80 -2.049 3.835 -12.045 630 HB3 PRO 80 3HB PRO 80 -3.191 2.591 -11.494 631 HG2 PRO 80 2HG PRO 80 -3.926 4.453 -13.269 632 HG3 PRO 80 3HG PRO 80 -5.049 3.838 -12.037 633 HD2 PRO 80 2HD PRO 80 -3.473 6.421 -12.001 634 HD3 PRO 80 3HD PRO 80 -5.194 6.131 -11.635 635 H ASP 81 H ASP 81 -1.659 3.518 -7.938 636 HA ASP 81 HA ASP 81 0.897 4.887 -8.624 637 HB2 ASP 81 2HB ASP 81 -0.051 3.830 -5.919 638 HB3 ASP 81 3HB ASP 81 1.473 4.659 -6.217 639 H GLU 82 H GLU 82 1.837 3.277 -9.932 640 HA GLU 82 HA GLU 82 1.861 0.473 -9.272 641 HB2 GLU 82 2HB GLU 82 3.602 1.949 -11.307 642 HB3 GLU 82 3HB GLU 82 3.470 0.198 -11.135 643 HG2 GLU 82 2HG GLU 82 2.177 0.846 -13.014 644 HG3 GLU 82 3HG GLU 82 1.081 0.340 -11.732 645 H VAL 83 H VAL 83 2.704 0.236 -7.238 646 HA VAL 83 HA VAL 83 5.353 1.191 -6.514 647 HB VAL 83 HB VAL 83 3.313 -0.524 -5.009 648 HG11 VAL 83 1HG1 VAL 83 5.929 0.634 -3.967 649 HG12 VAL 83 2HG1 VAL 83 5.570 -1.072 -4.222 650 HG13 VAL 83 3HG1 VAL 83 4.697 -0.170 -2.988 651 HG21 VAL 83 3HG2 VAL 83 4.076 2.411 -4.680 652 HG22 VAL 83 1HG2 VAL 83 2.921 1.529 -3.675 653 HG23 VAL 83 2HG2 VAL 83 2.580 1.796 -5.383 654 H THR 84 H THR 84 6.929 0.111 -7.645 655 HA THR 84 HA THR 84 6.961 -2.798 -7.899 656 HB THR 84 HB THR 84 9.056 -0.739 -8.771 657 HG1 THR 84 HG1 THR 84 7.019 -2.019 -10.307 658 HG21 THR 84 3HG2 THR 84 10.000 -3.016 -8.579 659 HG22 THR 84 1HG2 THR 84 9.879 -2.534 -10.268 660 HG23 THR 84 2HG2 THR 84 8.699 -3.655 -9.589 661 H VAL 85 H VAL 85 7.503 -3.831 -6.009 662 HA VAL 85 HA VAL 85 9.798 -2.831 -4.429 663 HB VAL 85 HB VAL 85 7.540 -4.717 -3.565 664 HG11 VAL 85 1HG1 VAL 85 9.954 -3.770 -1.959 665 HG12 VAL 85 2HG1 VAL 85 9.666 -5.416 -2.522 666 HG13 VAL 85 3HG1 VAL 85 8.596 -4.701 -1.319 667 HG21 VAL 85 3HG2 VAL 85 6.878 -2.351 -3.672 668 HG22 VAL 85 1HG2 VAL 85 8.257 -1.894 -2.671 669 HG23 VAL 85 2HG2 VAL 85 6.962 -2.886 -1.996 670 H ASP 86 H ASP 86 11.563 -3.722 -5.147 671 HA ASP 86 HA ASP 86 11.813 -6.455 -6.137 672 HB2 ASP 86 2HB ASP 86 13.893 -4.276 -5.559 673 HB3 ASP 86 3HB ASP 86 14.257 -5.839 -6.285 674 H SER 87 H SER 87 13.500 -7.849 -5.082 675 HA SER 87 HA SER 87 13.451 -8.019 -2.246 676 HB2 SER 87 2HB SER 87 15.453 -9.210 -4.226 677 HB3 SER 87 3HB SER 87 15.309 -9.674 -2.527 678 HG SER 87 HG SER 87 14.085 -10.892 -4.316 679 H LYS 88 H LYS 88 15.287 -6.157 -4.443 680 HA LYS 88 HA LYS 88 17.581 -5.468 -2.925 681 HB2 LYS 88 2HB LYS 88 16.253 -3.729 -5.048 682 HB3 LYS 88 3HB LYS 88 17.957 -3.760 -4.598 683 HG2 LYS 88 2HG LYS 88 18.313 -5.856 -5.676 684 HG3 LYS 88 3HG LYS 88 16.578 -6.152 -5.826 685 HD2 LYS 88 2HD LYS 88 16.482 -4.085 -7.339 686 HD3 LYS 88 3HD LYS 88 18.248 -4.134 -7.362 687 HE2 LYS 88 2HE LYS 88 18.189 -6.381 -8.366 688 HE3 LYS 88 3HE LYS 88 16.424 -6.392 -8.264 689 HZ1 LYS 88 3HZ LYS 88 16.357 -4.517 -9.784 690 HZ2 LYS 88 1HZ LYS 88 17.184 -5.823 -10.478 691 HZ3 LYS 88 2HZ LYS 88 18.049 -4.503 -9.873 692 H ASN 89 H ASN 89 14.400 -3.929 -3.372 693 HA ASN 89 HA ASN 89 14.967 -1.985 -1.201 694 HB2 ASN 89 2HB ASN 89 13.536 -0.360 -2.271 695 HB3 ASN 89 3HB ASN 89 14.633 -0.953 -3.503 696 HD21 ASN 89 1HD2 ASN 89 11.337 -0.767 -2.461 697 HD22 ASN 89 2HD2 ASN 89 10.636 -1.402 -3.908 698 H PHE 90 H PHE 90 14.025 -4.684 -0.857 699 HA PHE 90 HA PHE 90 11.245 -4.963 -0.674 700 HB2 PHE 90 2HB PHE 90 12.867 -6.831 -0.786 701 HB3 PHE 90 3HB PHE 90 13.398 -6.459 0.854 702 HD1 PHE 90 HD2 PHE 90 10.267 -7.217 -1.086 703 HD2 PHE 90 HD1 PHE 90 12.352 -7.627 2.635 704 HE1 PHE 90 HE2 PHE 90 8.472 -8.669 -0.243 705 HE2 PHE 90 HE1 PHE 90 10.537 -9.070 3.467 706 HZ PHE 90 HZ PHE 90 8.608 -9.600 2.030 707 H LEU 91 H LEU 91 13.670 -4.152 1.715 708 HA LEU 91 HA LEU 91 11.774 -3.857 3.891 709 HB2 LEU 91 2HB LEU 91 14.768 -3.442 3.770 710 HB3 LEU 91 3HB LEU 91 13.789 -3.472 5.236 711 HG LEU 91 HG LEU 91 14.079 -5.800 3.307 712 HD11 LEU 91 1HD1 LEU 91 15.319 -5.440 6.022 713 HD12 LEU 91 2HD1 LEU 91 16.151 -5.424 4.466 714 HD13 LEU 91 3HD1 LEU 91 15.374 -6.899 5.029 715 HD21 LEU 91 3HD2 LEU 91 12.902 -7.110 5.068 716 HD22 LEU 91 1HD2 LEU 91 11.905 -5.847 4.350 717 HD23 LEU 91 2HD2 LEU 91 12.609 -5.612 5.952 718 H ASP 92 H ASP 92 12.776 -1.931 1.383 719 HA ASP 92 HA ASP 92 12.505 0.652 2.711 720 HB2 ASP 92 2HB ASP 92 12.699 -0.152 -0.227 721 HB3 ASP 92 3HB ASP 92 12.515 1.514 0.311 722 H LYS 93 H LYS 93 10.736 2.060 2.398 723 HA LYS 93 HA LYS 93 8.154 0.742 1.765 724 HB2 LYS 93 2HB LYS 93 7.140 2.442 3.251 725 HB3 LYS 93 3HB LYS 93 8.353 1.497 4.098 726 HG2 LYS 93 2HG LYS 93 9.980 3.378 3.756 727 HG3 LYS 93 3HG LYS 93 8.672 4.325 3.044 728 HD2 LYS 93 2HD LYS 93 7.417 4.192 5.174 729 HD3 LYS 93 3HD LYS 93 8.732 3.259 5.896 730 HE2 LYS 93 2HE LYS 93 8.945 6.099 4.847 731 HE3 LYS 93 3HE LYS 93 8.836 5.638 6.542 732 HZ1 LYS 93 3HZ LYS 93 10.930 4.466 6.314 733 HZ2 LYS 93 1HZ LYS 93 11.103 6.093 5.893 734 HZ3 LYS 93 2HZ LYS 93 11.032 4.911 4.687 735 H GLN 94 H GLN 94 6.754 1.728 0.365 736 HA GLN 94 HA GLN 94 7.548 4.279 -0.943 737 HB2 GLN 94 2HB GLN 94 6.133 1.908 -2.251 738 HB3 GLN 94 3HB GLN 94 6.557 3.425 -3.035 739 HG2 GLN 94 2HG GLN 94 8.996 2.863 -2.508 740 HG3 GLN 94 3HG GLN 94 8.411 1.261 -2.058 741 HE21 GLN 94 1HE2 GLN 94 9.712 0.364 -3.703 742 HE22 GLN 94 2HE2 GLN 94 9.251 0.443 -5.363 743 H ASN 95 H ASN 95 6.136 4.247 1.340 744 HA ASN 95 HA ASN 95 3.359 3.728 1.131 745 HB2 ASN 95 2HB ASN 95 4.898 5.234 3.288 746 HB3 ASN 95 3HB ASN 95 3.219 4.716 3.422 747 HD21 ASN 95 1HD2 ASN 95 5.277 3.993 5.183 748 HD22 ASN 95 2HD2 ASN 95 5.480 2.284 5.090 749 H ARG 96 H ARG 96 2.176 4.885 -0.227 750 HA ARG 96 HA ARG 96 2.508 7.722 -0.693 751 HB2 ARG 96 2HB ARG 96 0.156 5.969 -1.548 752 HB3 ARG 96 3HB ARG 96 0.645 7.504 -2.248 753 HG2 ARG 96 2HG ARG 96 2.177 4.900 -2.410 754 HG3 ARG 96 3HG ARG 96 1.243 5.642 -3.708 755 HD2 ARG 96 2HD ARG 96 3.730 6.793 -2.413 756 HD3 ARG 96 3HD ARG 96 3.646 6.020 -3.997 757 HE ARG 96 HE ARG 96 1.858 7.992 -4.287 758 HH11 ARG 96 2HH1 ARG 96 5.144 8.072 -3.032 759 HH12 ARG 96 1HH1 ARG 96 5.424 9.698 -3.563 760 HH21 ARG 96 2HH2 ARG 96 2.257 10.123 -4.951 761 HH22 ARG 96 1HH2 ARG 96 3.803 10.855 -4.640 762 H GLU 97 H GLU 97 0.822 9.340 -0.236 763 HA GLU 97 HA GLU 97 -1.151 8.677 1.832 764 HB2 GLU 97 2HB GLU 97 0.970 9.306 3.027 765 HB3 GLU 97 3HB GLU 97 0.941 10.865 2.218 766 HG2 GLU 97 2HG GLU 97 -1.231 11.352 3.331 767 HG3 GLU 97 3HG GLU 97 -1.122 9.832 4.182 768 H GLU 98 H GLU 98 -2.996 9.792 1.546 769 HA GLU 98 HA GLU 98 -3.028 12.371 0.140 770 HB2 GLU 98 2HB GLU 98 -4.646 9.931 -0.704 771 HB3 GLU 98 3HB GLU 98 -5.059 11.572 -1.189 772 HG2 GLU 98 2HG GLU 98 -2.859 11.787 -2.296 773 HG3 GLU 98 3HG GLU 98 -2.484 10.129 -1.835 774 H THR 99 H THR 99 -4.414 13.751 0.982 775 HA THR 99 HA THR 99 -6.570 12.856 2.804 776 HB THR 99 HB THR 99 -5.315 15.642 2.498 777 HG1 THR 99 HG1 THR 99 -4.052 13.925 3.501 778 HG21 THR 99 3HG2 THR 99 -7.685 15.739 3.233 779 HG22 THR 99 1HG2 THR 99 -6.591 16.220 4.526 780 HG23 THR 99 2HG2 THR 99 -7.328 14.614 4.546 781 H VAL 100 H VAL 100 -8.512 12.721 1.773 782 HA VAL 100 HA VAL 100 -8.993 14.261 -0.671 783 HB VAL 100 HB VAL 100 -10.725 12.784 -1.214 784 HG11 VAL 100 1HG1 VAL 100 -9.957 10.460 -0.805 785 HG12 VAL 100 2HG1 VAL 100 -8.875 11.036 0.463 786 HG13 VAL 100 3HG1 VAL 100 -8.610 11.528 -1.210 787 HG21 VAL 100 3HG2 VAL 100 -12.121 13.052 0.775 788 HG22 VAL 100 1HG2 VAL 100 -11.045 12.015 1.710 789 HG23 VAL 100 2HG2 VAL 100 -11.981 11.343 0.372 790 H ILE 101 H ILE 101 -10.615 15.825 -0.815 791 HA ILE 101 HA ILE 101 -11.557 16.922 1.783 792 HB ILE 101 HB ILE 101 -10.863 18.363 -0.815 793 HG12 ILE 101 2HG1 ILE 101 -8.855 17.689 0.466 794 HG13 ILE 101 3HG1 ILE 101 -9.053 19.435 0.544 795 HG21 ILE 101 1HG2 ILE 101 -12.791 19.459 0.211 796 HG22 ILE 101 2HG2 ILE 101 -11.364 20.475 0.395 797 HG23 ILE 101 3HG2 ILE 101 -11.961 19.536 1.766 798 HD11 ILE 101 3HD1 ILE 101 -9.996 19.205 2.821 799 HD12 ILE 101 1HD1 ILE 101 -8.359 18.560 2.705 800 HD13 ILE 101 2HD1 ILE 101 -9.738 17.462 2.738 801 H TYR 102 H TYR 102 -13.608 16.483 2.083 802 HA TYR 102 HA TYR 102 -15.586 16.270 -0.024 803 HB2 TYR 102 2HB TYR 102 -15.718 15.996 3.005 804 HB3 TYR 102 3HB TYR 102 -17.177 16.038 2.019 805 HD1 TYR 102 HD1 TYR 102 -14.142 14.041 2.815 806 HD2 TYR 102 HD2 TYR 102 -17.850 14.140 0.699 807 HE1 TYR 102 HE1 TYR 102 -13.990 11.617 2.432 808 HE2 TYR 102 HE2 TYR 102 -17.704 11.723 0.321 809 HH TYR 102 HH TYR 102 -15.700 9.698 1.980 810 H SER 103 H SER 103 -16.265 18.100 -0.901 811 HA SER 103 HA SER 103 -16.644 20.530 0.725 812 HB2 SER 103 2HB SER 103 -16.732 20.179 -2.313 813 HB3 SER 103 3HB SER 103 -16.732 21.705 -1.425 814 HG SER 103 HG SER 103 -14.616 20.402 -0.598 815 H ALA 104 H ALA 104 -18.747 21.365 0.907 816 HA ALA 104 HA ALA 104 -21.023 19.766 0.906 817 HB1 ALA 104 3HB ALA 104 -20.891 22.783 0.545 818 HB2 ALA 104 1HB ALA 104 -20.904 21.932 2.088 819 HB3 ALA 104 2HB ALA 104 -22.320 21.871 1.039 820 H ASN 105 H ASN 105 -22.407 19.097 -0.631 821 HA ASN 105 HA ASN 105 -21.380 18.436 -3.071 822 HB2 ASN 105 2HB ASN 105 -23.464 17.545 -1.658 823 HB3 ASN 105 3HB ASN 105 -24.390 18.556 -2.749 824 HD21 ASN 105 1HD2 ASN 105 -24.444 15.696 -2.406 825 HD22 ASN 105 2HD2 ASN 105 -24.132 15.022 -3.966 826 H THR 106 H THR 106 -22.038 18.825 -5.256 827 HA THR 106 HA THR 106 -21.882 21.359 -6.275 828 HB THR 106 HB THR 106 -21.604 19.321 -7.636 829 HG1 THR 106 HG1 THR 106 -21.962 20.583 -9.295 830 HG21 THR 106 3HG2 THR 106 -23.578 18.053 -6.708 831 HG22 THR 106 1HG2 THR 106 -23.515 18.029 -8.475 832 HG23 THR 106 2HG2 THR 106 -24.648 19.096 -7.645 833 H ILE 107 H ILE 107 -24.732 19.912 -4.944 834 HA ILE 107 HA ILE 107 -26.862 21.323 -5.947 835 HB ILE 107 HB ILE 107 -26.384 20.664 -3.004 836 HG12 ILE 107 2HG1 ILE 107 -26.049 18.650 -4.374 837 HG13 ILE 107 3HG1 ILE 107 -27.535 18.508 -3.450 838 HG21 ILE 107 1HG2 ILE 107 -28.845 20.584 -2.796 839 HG22 ILE 107 2HG2 ILE 107 -29.005 21.081 -4.483 840 HG23 ILE 107 3HG2 ILE 107 -28.286 22.181 -3.304 841 HD11 ILE 107 3HD1 ILE 107 -27.316 19.138 -6.398 842 HD12 ILE 107 1HD1 ILE 107 -28.825 19.063 -5.483 843 HD13 ILE 107 2HD1 ILE 107 -27.836 17.617 -5.673 844 H THR 108 H THR 108 -24.791 22.351 -3.169 845 HA THR 108 HA THR 108 -25.921 25.036 -3.238 846 HB THR 108 HB THR 108 -25.488 23.975 -1.058 847 HG1 THR 108 HG1 THR 108 -23.927 25.864 -0.402 848 HG21 THR 108 3HG2 THR 108 -22.537 24.199 -1.748 849 HG22 THR 108 1HG2 THR 108 -23.441 22.689 -1.598 850 HG23 THR 108 2HG2 THR 108 -23.202 23.720 -0.187 851 H GLN 109 H GLN 109 -22.986 23.401 -4.291 852 HA GLN 109 HA GLN 109 -21.255 25.643 -4.498 853 HB2 GLN 109 2HB GLN 109 -21.215 23.021 -6.043 854 HB3 GLN 109 3HB GLN 109 -19.938 24.227 -6.105 855 HG2 GLN 109 2HG GLN 109 -19.594 23.907 -3.644 856 HG3 GLN 109 3HG GLN 109 -20.765 22.585 -3.714 857 HE21 GLN 109 1HE2 GLN 109 -19.262 21.019 -3.119 858 HE22 GLN 109 2HE2 GLN 109 -17.971 20.512 -4.148 859 H ASN 110 H ASN 110 -22.994 23.854 -6.998 860 HA ASN 110 HA ASN 110 -23.648 24.210 -9.076 861 HB2 ASN 110 2HB ASN 110 -23.789 27.178 -8.359 862 HB3 ASN 110 3HB ASN 110 -24.517 26.432 -9.780 863 HD21 ASN 110 1HD2 ASN 110 -24.696 26.656 -6.274 864 HD22 ASN 110 2HD2 ASN 110 -26.309 26.052 -6.139 865 H LYS 111 H LYS 111 -21.929 27.317 -8.943 866 HA LYS 111 HA LYS 111 -20.118 28.186 -10.009 867 HB2 LYS 111 2HB LYS 111 -19.095 25.334 -9.627 868 HB3 LYS 111 3HB LYS 111 -18.060 26.715 -10.003 869 HG2 LYS 111 2HG LYS 111 -18.369 27.675 -7.837 870 HG3 LYS 111 3HG LYS 111 -19.798 26.679 -7.524 871 HD2 LYS 111 2HD LYS 111 -18.444 24.656 -7.405 872 HD3 LYS 111 3HD LYS 111 -16.975 25.564 -7.789 873 HE2 LYS 111 2HE LYS 111 -18.672 25.934 -5.297 874 HE3 LYS 111 3HE LYS 111 -17.164 25.029 -5.377 875 HZ1 LYS 111 3HZ LYS 111 -17.446 27.916 -5.949 876 HZ2 LYS 111 1HZ LYS 111 -16.001 27.036 -5.918 877 HZ3 LYS 111 2HZ LYS 111 -16.889 27.257 -4.492 878 H LYS 112 H LYS 112 -18.375 27.522 -11.915 879 HA LYS 112 HA LYS 112 -19.819 26.191 -14.137 880 HB2 LYS 112 2HB LYS 112 -17.125 27.624 -14.264 881 HB3 LYS 112 3HB LYS 112 -18.180 27.188 -15.604 882 HG2 LYS 112 2HG LYS 112 -19.846 28.850 -14.814 883 HG3 LYS 112 3HG LYS 112 -18.749 29.278 -13.498 884 HD2 LYS 112 2HD LYS 112 -17.036 29.966 -15.227 885 HD3 LYS 112 3HD LYS 112 -18.246 29.659 -16.478 886 HE2 LYS 112 2HE LYS 112 -18.119 32.044 -15.930 887 HE3 LYS 112 3HE LYS 112 -19.703 31.394 -15.503 888 HZ1 LYS 112 3HZ LYS 112 -18.867 32.815 -13.775 889 HZ2 LYS 112 1HZ LYS 112 -17.447 31.898 -13.649 890 HZ3 LYS 112 2HZ LYS 112 -18.930 31.225 -13.205 891 H ASP 113 H ASP 113 -17.012 26.167 -12.018 892 HA ASP 113 HA ASP 113 -15.312 24.760 -11.526 893 HB2 ASP 113 2HB ASP 113 -17.291 23.266 -11.003 894 HB3 ASP 113 3HB ASP 113 -17.148 22.573 -12.610 895 H GLY 114 H GLY 114 -14.204 22.469 -12.975 896 HA2 GLY 114 2HA GLY 114 -12.793 22.041 -14.728 897 HA3 GLY 114 3HA GLY 114 -13.835 23.050 -15.728 898 H LEU 115 H LEU 115 -12.128 23.941 -12.781 899 HA LEU 115 HA LEU 115 -11.226 26.438 -13.739 900 HB2 LEU 115 2HB LEU 115 -10.229 24.852 -11.337 901 HB3 LEU 115 3HB LEU 115 -9.981 26.570 -11.601 902 HG LEU 115 HG LEU 115 -12.677 25.243 -11.123 903 HD11 LEU 115 1HD1 LEU 115 -12.638 26.335 -8.916 904 HD12 LEU 115 2HD1 LEU 115 -11.004 26.925 -9.230 905 HD13 LEU 115 3HD1 LEU 115 -11.309 25.192 -9.101 906 HD21 LEU 115 3HD2 LEU 115 -13.573 27.544 -10.941 907 HD22 LEU 115 1HD2 LEU 115 -12.921 27.217 -12.546 908 HD23 LEU 115 2HD2 LEU 115 -11.998 28.193 -11.402 909 H GLU 116 H GLU 116 -9.361 23.554 -12.818 910 HA GLU 116 HA GLU 116 -7.621 23.505 -15.038 911 HB2 GLU 116 2HB GLU 116 -5.498 24.212 -13.946 912 HB3 GLU 116 3HB GLU 116 -6.644 25.549 -14.030 913 HG2 GLU 116 2HG GLU 116 -7.235 25.208 -11.659 914 HG3 GLU 116 3HG GLU 116 -6.114 23.851 -11.572 915 H HIS 117 H HIS 117 -6.140 21.720 -14.908 916 HA HIS 117 HA HIS 117 -6.587 19.786 -12.755 917 HB2 HIS 117 2HB HIS 117 -4.715 19.639 -15.165 918 HB3 HIS 117 3HB HIS 117 -5.006 18.343 -14.008 919 HD1 HIS 117 HD1 HIS 117 -6.511 16.630 -14.963 920 HD2 HIS 117 HD2 HIS 117 -7.512 20.432 -16.315 921 HE1 HIS 117 HE1 HIS 117 -8.447 16.297 -16.526 922 HE2 HIS 117 HE2 HIS 117 -9.129 18.624 -17.213 923 H HIS 118 H HIS 118 -5.680 20.644 -10.921 924 HA HIS 118 HA HIS 118 -3.270 22.272 -11.088 925 HB2 HIS 118 2HB HIS 118 -3.700 22.826 -8.702 926 HB3 HIS 118 3HB HIS 118 -5.073 23.156 -9.743 927 HD1 HIS 118 HD1 HIS 118 -3.980 21.009 -6.898 928 HD2 HIS 118 HD2 HIS 118 -7.385 21.614 -9.204 929 HE1 HIS 118 HE1 HIS 118 -5.833 19.869 -5.668 930 HE2 HIS 118 HE2 HIS 118 -7.840 20.081 -7.163 931 H HIS 119 H HIS 119 -1.801 20.626 -11.719 932 HA HIS 119 HA HIS 119 -0.798 18.926 -9.513 933 HB2 HIS 119 2HB HIS 119 0.182 19.142 -12.405 934 HB3 HIS 119 3HB HIS 119 0.788 18.015 -11.190 935 HD1 HIS 119 HD1 HIS 119 -0.212 15.754 -11.340 936 HD2 HIS 119 HD2 HIS 119 -2.777 18.644 -12.884 937 HE1 HIS 119 HE1 HIS 119 -2.180 14.493 -12.259 938 HE2 HIS 119 HE2 HIS 119 -3.766 16.259 -13.092 939 H HIS 120 H HIS 120 0.751 20.933 -12.009 940 HA HIS 120 HA HIS 120 2.311 22.537 -12.077 941 HB2 HIS 120 2HB HIS 120 0.755 23.483 -9.643 942 HB3 HIS 120 3HB HIS 120 1.983 24.461 -10.434 943 HD1 HIS 120 HD1 HIS 120 1.319 25.683 -12.530 944 HD2 HIS 120 HD2 HIS 120 -1.587 23.003 -11.263 945 HE1 HIS 120 HE1 HIS 120 -0.708 26.206 -13.900 946 HE2 HIS 120 HE2 HIS 120 -2.512 24.699 -12.991 947 H HIS 121 H HIS 121 2.281 22.660 -8.549 948 HA HIS 121 HA HIS 121 3.713 22.241 -6.905 949 HB2 HIS 121 2HB HIS 121 5.192 20.451 -8.872 950 HB3 HIS 121 3HB HIS 121 5.537 20.546 -7.144 951 HD1 HIS 121 HD1 HIS 121 3.849 18.495 -9.410 952 HD2 HIS 121 HD2 HIS 121 2.863 20.013 -5.677 953 HE1 HIS 121 HE1 HIS 121 2.006 17.031 -8.564 954 HE2 HIS 121 HE2 HIS 121 1.265 18.125 -6.424 955 H HIS 122 H HIS 122 5.724 22.598 -9.857 956 HA HIS 122 HA HIS 122 7.384 23.964 -10.483 957 HB2 HIS 122 2HB HIS 122 5.992 25.895 -9.905 958 HB3 HIS 122 3HB HIS 122 6.409 25.741 -8.205 959 HD1 HIS 122 HD1 HIS 122 8.852 26.457 -7.509 960 HD2 HIS 122 HD2 HIS 122 7.803 27.362 -11.431 961 HE1 HIS 122 HE1 HIS 122 10.580 28.094 -8.305 962 HE2 HIS 122 HE2 HIS 122 9.851 28.736 -10.627 Start of MODEL 20 1 H1 MET 1 1H MET 1 21.463 -27.822 2.265 2 H2 MET 1 2H MET 1 21.087 -28.262 0.683 3 H3 MET 1 3H MET 1 21.465 -29.448 1.823 4 HA MET 1 HA MET 1 19.099 -29.280 1.326 5 HB2 MET 1 2HB MET 1 19.948 -30.153 3.533 6 HB3 MET 1 3HB MET 1 19.786 -28.539 4.209 7 HG2 MET 1 2HG MET 1 17.361 -28.615 3.892 8 HG3 MET 1 3HG MET 1 17.486 -30.178 3.085 9 HE1 MET 1 3HE MET 1 18.602 -32.510 6.068 10 HE2 MET 1 1HE MET 1 19.689 -31.676 4.961 11 HE3 MET 1 2HE MET 1 18.218 -32.431 4.349 12 H ILE 2 H ILE 2 17.564 -27.911 0.728 13 HA ILE 2 HA ILE 2 17.807 -25.021 1.315 14 HB ILE 2 HB ILE 2 17.058 -26.455 -1.275 15 HG12 ILE 2 2HG1 ILE 2 19.494 -26.117 -0.892 16 HG13 ILE 2 3HG1 ILE 2 18.928 -25.169 -2.262 17 HG21 ILE 2 1HG2 ILE 2 16.694 -23.505 -0.663 18 HG22 ILE 2 2HG2 ILE 2 15.424 -24.674 -1.031 19 HG23 ILE 2 3HG2 ILE 2 16.591 -24.218 -2.274 20 HD11 ILE 2 3HD1 ILE 2 19.488 -24.127 0.510 21 HD12 ILE 2 1HD1 ILE 2 18.908 -23.164 -0.853 22 HD13 ILE 2 2HD1 ILE 2 20.494 -23.926 -0.921 23 H GLU 3 H GLU 3 16.145 -24.381 2.571 24 HA GLU 3 HA GLU 3 13.441 -25.505 2.120 25 HB2 GLU 3 2HB GLU 3 12.745 -24.241 4.123 26 HB3 GLU 3 3HB GLU 3 14.096 -25.311 4.478 27 HG2 GLU 3 2HG GLU 3 15.648 -23.472 4.523 28 HG3 GLU 3 3HG GLU 3 14.422 -22.345 3.933 29 HA PRO 4 HA PRO 4 12.544 -21.831 -0.387 30 HB2 PRO 4 2HB PRO 4 9.656 -22.463 -0.080 31 HB3 PRO 4 3HB PRO 4 10.654 -22.525 -1.547 32 HG2 PRO 4 2HG PRO 4 9.702 -24.768 -0.369 33 HG3 PRO 4 3HG PRO 4 11.271 -24.733 -1.206 34 HD2 PRO 4 2HD PRO 4 10.717 -24.563 1.760 35 HD3 PRO 4 3HD PRO 4 11.948 -25.522 0.900 36 H ILE 5 H ILE 5 12.550 -19.832 0.419 37 HA ILE 5 HA ILE 5 10.986 -19.175 2.867 38 HB ILE 5 HB ILE 5 12.777 -17.531 3.461 39 HG12 ILE 5 2HG1 ILE 5 14.404 -18.834 1.227 40 HG13 ILE 5 3HG1 ILE 5 13.702 -17.227 1.148 41 HG21 ILE 5 1HG2 ILE 5 12.754 -19.724 4.526 42 HG22 ILE 5 2HG2 ILE 5 14.416 -19.171 4.310 43 HG23 ILE 5 3HG2 ILE 5 13.746 -20.399 3.230 44 HD11 ILE 5 3HD1 ILE 5 15.144 -16.482 2.944 45 HD12 ILE 5 1HD1 ILE 5 16.073 -17.163 1.613 46 HD13 ILE 5 2HD1 ILE 5 15.837 -18.097 3.089 47 H LYS 6 H LYS 6 10.474 -16.907 3.105 48 HA LYS 6 HA LYS 6 10.475 -15.189 0.795 49 HB2 LYS 6 2HB LYS 6 8.117 -14.994 0.427 50 HB3 LYS 6 3HB LYS 6 8.540 -16.690 0.283 51 HG2 LYS 6 2HG LYS 6 7.237 -15.437 2.717 52 HG3 LYS 6 3HG LYS 6 6.367 -16.258 1.429 53 HD2 LYS 6 2HD LYS 6 8.436 -17.531 3.266 54 HD3 LYS 6 3HD LYS 6 6.686 -17.711 3.420 55 HE2 LYS 6 2HE LYS 6 6.619 -18.860 1.235 56 HE3 LYS 6 3HE LYS 6 8.367 -18.662 1.066 57 HZ1 LYS 6 3HZ LYS 6 8.626 -19.988 3.105 58 HZ2 LYS 6 1HZ LYS 6 7.876 -20.852 1.867 59 HZ3 LYS 6 2HZ LYS 6 6.956 -20.244 3.148 60 H ARG 7 H ARG 7 10.415 -13.123 1.401 61 HA ARG 7 HA ARG 7 9.817 -12.350 4.162 62 HB2 ARG 7 2HB ARG 7 11.982 -11.565 2.963 63 HB3 ARG 7 3HB ARG 7 10.942 -10.533 1.970 64 HG2 ARG 7 2HG ARG 7 10.147 -9.371 3.993 65 HG3 ARG 7 3HG ARG 7 11.146 -10.418 5.001 66 HD2 ARG 7 2HD ARG 7 13.169 -9.497 3.806 67 HD3 ARG 7 3HD ARG 7 12.099 -8.346 3.000 68 HE ARG 7 HE ARG 7 11.452 -7.771 5.444 69 HH11 ARG 7 2HH1 ARG 7 14.727 -8.435 4.314 70 HH12 ARG 7 1HH1 ARG 7 15.461 -7.461 5.550 71 HH21 ARG 7 1HH2 ARG 7 12.426 -6.569 7.062 72 HH22 ARG 7 2HH2 ARG 7 14.146 -6.405 7.111 73 H THR 8 H THR 8 8.385 -10.446 4.482 74 HA THR 8 HA THR 8 6.313 -10.204 2.395 75 HB THR 8 HB THR 8 5.845 -10.664 5.379 76 HG1 THR 8 HG1 THR 8 6.470 -12.547 4.117 77 HG21 THR 8 3HG2 THR 8 4.116 -9.200 4.390 78 HG22 THR 8 1HG2 THR 8 3.453 -10.793 4.775 79 HG23 THR 8 2HG2 THR 8 3.853 -10.381 3.110 80 H GLN 9 H GLN 9 6.699 -8.133 1.815 81 HA GLN 9 HA GLN 9 6.874 -5.992 3.831 82 HB2 GLN 9 2HB GLN 9 8.516 -5.975 1.956 83 HB3 GLN 9 3HB GLN 9 7.194 -5.882 0.800 84 HG2 GLN 9 2HG GLN 9 8.055 -3.684 0.982 85 HG3 GLN 9 3HG GLN 9 6.538 -3.672 1.880 86 HE21 GLN 9 1HE2 GLN 9 8.913 -1.939 2.053 87 HE22 GLN 9 2HE2 GLN 9 9.443 -2.017 3.691 88 H VAL 10 H VAL 10 4.826 -5.650 4.549 89 HA VAL 10 HA VAL 10 2.621 -5.490 2.627 90 HB VAL 10 HB VAL 10 1.117 -5.385 4.537 91 HG11 VAL 10 1HG1 VAL 10 1.543 -7.613 5.517 92 HG12 VAL 10 2HG1 VAL 10 3.199 -7.570 4.907 93 HG13 VAL 10 3HG1 VAL 10 1.844 -7.601 3.776 94 HG21 VAL 10 3HG2 VAL 10 1.897 -5.586 6.888 95 HG22 VAL 10 1HG2 VAL 10 2.400 -4.063 6.152 96 HG23 VAL 10 2HG2 VAL 10 3.567 -5.373 6.348 97 H VAL 11 H VAL 11 2.193 -3.582 1.650 98 HA VAL 11 HA VAL 11 3.331 -1.112 2.771 99 HB VAL 11 HB VAL 11 1.940 -1.589 0.086 100 HG11 VAL 11 1HG1 VAL 11 1.572 0.740 0.799 101 HG12 VAL 11 2HG1 VAL 11 2.727 0.699 -0.533 102 HG13 VAL 11 3HG1 VAL 11 3.297 0.939 1.120 103 HG21 VAL 11 3HG2 VAL 11 4.881 -1.133 0.741 104 HG22 VAL 11 1HG2 VAL 11 4.207 -1.273 -0.886 105 HG23 VAL 11 2HG2 VAL 11 4.160 -2.656 0.211 106 H THR 12 H THR 12 2.172 -0.166 4.237 107 HA THR 12 HA THR 12 -0.672 -0.739 4.547 108 HB THR 12 HB THR 12 1.335 0.600 6.421 109 HG1 THR 12 HG1 THR 12 0.802 -2.022 5.798 110 HG21 THR 12 3HG2 THR 12 -0.309 0.120 8.206 111 HG22 THR 12 1HG2 THR 12 -1.444 -0.491 7.010 112 HG23 THR 12 2HG2 THR 12 -0.990 1.218 7.000 113 H GLN 13 H GLN 13 -1.756 0.585 3.237 114 HA GLN 13 HA GLN 13 -1.327 3.457 3.133 115 HB2 GLN 13 2HB GLN 13 -1.813 2.277 1.035 116 HB3 GLN 13 3HB GLN 13 -3.313 1.641 1.700 117 HG2 GLN 13 2HG GLN 13 -4.228 3.928 1.825 118 HG3 GLN 13 3HG GLN 13 -2.722 4.572 1.182 119 HE21 GLN 13 1HE2 GLN 13 -4.245 1.617 -0.035 120 HE22 GLN 13 2HE2 GLN 13 -4.702 2.278 -1.557 121 H THR 14 H THR 14 -2.045 4.474 4.932 122 HA THR 14 HA THR 14 -4.599 3.729 6.217 123 HB THR 14 HB THR 14 -3.941 5.410 7.962 124 HG1 THR 14 HG1 THR 14 -2.363 6.362 6.137 125 HG21 THR 14 3HG2 THR 14 -3.224 3.070 8.267 126 HG22 THR 14 1HG2 THR 14 -2.020 4.189 8.913 127 HG23 THR 14 2HG2 THR 14 -1.747 3.398 7.358 128 H ILE 15 H ILE 15 -6.329 4.558 5.142 129 HA ILE 15 HA ILE 15 -6.162 7.239 3.963 130 HB ILE 15 HB ILE 15 -8.134 4.987 3.433 131 HG12 ILE 15 2HG1 ILE 15 -6.092 6.509 1.778 132 HG13 ILE 15 3HG1 ILE 15 -6.011 4.813 2.251 133 HG21 ILE 15 1HG2 ILE 15 -8.319 7.845 2.380 134 HG22 ILE 15 2HG2 ILE 15 -9.455 7.083 3.496 135 HG23 ILE 15 3HG2 ILE 15 -9.315 6.487 1.844 136 HD11 ILE 15 3HD1 ILE 15 -7.833 6.105 0.252 137 HD12 ILE 15 1HD1 ILE 15 -8.017 4.446 0.823 138 HD13 ILE 15 2HD1 ILE 15 -6.553 4.925 -0.027 139 H HIS 16 H HIS 16 -7.199 8.902 4.610 140 HA HIS 16 HA HIS 16 -9.085 8.779 6.884 141 HB2 HIS 16 2HB HIS 16 -7.139 11.024 6.140 142 HB3 HIS 16 3HB HIS 16 -8.215 11.008 7.532 143 HD1 HIS 16 HD1 HIS 16 -6.833 10.690 9.574 144 HD2 HIS 16 HD2 HIS 16 -5.393 8.411 6.427 145 HE1 HIS 16 HE1 HIS 16 -4.797 9.523 10.455 146 HE2 HIS 16 HE2 HIS 16 -3.887 8.234 8.503 147 H TYR 17 H TYR 17 -11.091 9.254 6.135 148 HA TYR 17 HA TYR 17 -11.518 10.900 3.754 149 HB2 TYR 17 2HB TYR 17 -13.536 9.557 5.620 150 HB3 TYR 17 3HB TYR 17 -13.900 10.290 4.059 151 HD1 TYR 17 HD2 TYR 17 -12.359 9.321 2.052 152 HD2 TYR 17 HD1 TYR 17 -13.313 7.185 5.617 153 HE1 TYR 17 HE2 TYR 17 -11.829 7.215 0.917 154 HE2 TYR 17 HE1 TYR 17 -12.789 5.073 4.477 155 HH TYR 17 HH TYR 17 -11.178 4.955 1.458 156 H ARG 18 H ARG 18 -11.551 13.063 4.016 157 HA ARG 18 HA ARG 18 -12.541 14.300 6.502 158 HB2 ARG 18 2HB ARG 18 -10.133 13.726 6.836 159 HB3 ARG 18 3HB ARG 18 -9.719 14.698 5.430 160 HG2 ARG 18 2HG ARG 18 -10.271 16.740 6.553 161 HG3 ARG 18 3HG ARG 18 -11.067 15.875 7.873 162 HD2 ARG 18 2HD ARG 18 -8.914 14.910 8.549 163 HD3 ARG 18 3HD ARG 18 -8.098 15.767 7.234 164 HE ARG 18 HE ARG 18 -9.340 17.020 9.619 165 HH11 ARG 18 1HH1 ARG 18 -6.973 17.200 6.999 166 HH12 ARG 18 2HH1 ARG 18 -6.270 18.666 7.587 167 HH21 ARG 18 2HH2 ARG 18 -8.353 18.913 10.380 168 HH22 ARG 18 1HH2 ARG 18 -7.047 19.628 9.495 169 H TYR 19 H TYR 19 -13.162 16.404 6.258 170 HA TYR 19 HA TYR 19 -13.851 17.334 3.629 171 HB2 TYR 19 2HB TYR 19 -14.291 18.590 6.362 172 HB3 TYR 19 3HB TYR 19 -15.044 19.131 4.862 173 HD1 TYR 19 HD1 TYR 19 -16.538 17.376 3.620 174 HD2 TYR 19 HD2 TYR 19 -15.433 16.979 7.709 175 HE1 TYR 19 HE1 TYR 19 -18.441 15.880 3.993 176 HE2 TYR 19 HE2 TYR 19 -17.328 15.487 8.090 177 HH TYR 19 HH TYR 19 -19.133 14.109 5.569 178 H GLU 20 H GLU 20 -13.400 19.547 2.900 179 HA GLU 20 HA GLU 20 -10.743 20.501 3.116 180 HB2 GLU 20 2HB GLU 20 -11.541 22.500 1.916 181 HB3 GLU 20 3HB GLU 20 -12.166 21.032 1.173 182 HG2 GLU 20 2HG GLU 20 -14.373 21.425 1.923 183 HG3 GLU 20 3HG GLU 20 -13.857 22.565 3.160 184 H ASP 21 H ASP 21 -13.644 21.083 4.919 185 HA ASP 21 HA ASP 21 -13.073 23.453 6.309 186 HB2 ASP 21 2HB ASP 21 -15.324 22.541 6.175 187 HB3 ASP 21 3HB ASP 21 -14.831 21.039 6.943 188 H GLY 22 H GLY 22 -11.747 20.292 6.669 189 HA2 GLY 22 2HA GLY 22 -9.927 19.731 8.038 190 HA3 GLY 22 3HA GLY 22 -10.326 21.039 9.139 191 H ALA 23 H ALA 23 -13.237 19.846 8.745 192 HA ALA 23 HA ALA 23 -13.362 18.158 11.043 193 HB1 ALA 23 3HB ALA 23 -15.281 19.517 10.253 194 HB2 ALA 23 1HB ALA 23 -15.714 17.804 10.332 195 HB3 ALA 23 2HB ALA 23 -15.358 18.557 8.772 196 H VAL 24 H VAL 24 -13.329 15.902 11.144 197 HA VAL 24 HA VAL 24 -12.424 14.465 8.770 198 HB VAL 24 HB VAL 24 -12.858 13.354 11.580 199 HG11 VAL 24 1HG1 VAL 24 -12.818 11.602 9.847 200 HG12 VAL 24 2HG1 VAL 24 -11.355 11.526 10.830 201 HG13 VAL 24 3HG1 VAL 24 -11.293 12.238 9.217 202 HG21 VAL 24 3HG2 VAL 24 -11.191 15.177 11.624 203 HG22 VAL 24 1HG2 VAL 24 -10.283 14.384 10.329 204 HG23 VAL 24 2HG2 VAL 24 -10.429 13.608 11.909 205 H ALA 25 H ALA 25 -13.744 13.397 7.488 206 HA ALA 25 HA ALA 25 -16.582 13.122 7.957 207 HB1 ALA 25 3HB ALA 25 -16.626 12.082 5.726 208 HB2 ALA 25 1HB ALA 25 -14.860 12.006 5.706 209 HB3 ALA 25 2HB ALA 25 -15.680 13.569 5.705 210 H HIS 26 H HIS 26 -13.829 10.906 7.784 211 HA HIS 26 HA HIS 26 -14.887 9.046 9.650 212 HB2 HIS 26 2HB HIS 26 -16.116 8.384 7.503 213 HB3 HIS 26 3HB HIS 26 -14.555 7.987 6.796 214 HD1 HIS 26 HD1 HIS 26 -17.187 6.694 9.025 215 HD2 HIS 26 HD2 HIS 26 -13.280 5.685 8.028 216 HE1 HIS 26 HE1 HIS 26 -16.839 4.365 9.903 217 HE2 HIS 26 HE2 HIS 26 -14.541 3.722 9.117 218 H ASP 27 H ASP 27 -13.109 8.481 10.733 219 HA ASP 27 HA ASP 27 -10.447 8.645 9.464 220 HB2 ASP 27 2HB ASP 27 -11.052 9.931 11.627 221 HB3 ASP 27 3HB ASP 27 -11.061 8.371 12.441 222 H ASP 28 H ASP 28 -8.850 6.984 10.036 223 HA ASP 28 HA ASP 28 -8.007 4.903 10.160 224 HB2 ASP 28 2HB ASP 28 -10.400 4.220 11.931 225 HB3 ASP 28 3HB ASP 28 -8.909 3.294 11.807 226 H HIS 29 H HIS 29 -8.610 4.847 7.799 227 HA HIS 29 HA HIS 29 -10.136 2.340 7.301 228 HB2 HIS 29 2HB HIS 29 -11.342 4.360 6.355 229 HB3 HIS 29 3HB HIS 29 -9.941 4.684 5.344 230 HD1 HIS 29 HD1 HIS 29 -13.057 2.760 5.453 231 HD2 HIS 29 HD2 HIS 29 -9.490 2.586 3.325 232 HE1 HIS 29 HE1 HIS 29 -13.514 1.290 3.478 233 HE2 HIS 29 HE2 HIS 29 -11.283 1.007 2.367 234 H VAL 30 H VAL 30 -8.248 1.178 7.549 235 HA VAL 30 HA VAL 30 -5.877 1.900 5.935 236 HB VAL 30 HB VAL 30 -6.030 -0.060 8.269 237 HG11 VAL 30 1HG1 VAL 30 -3.588 0.249 8.379 238 HG12 VAL 30 2HG1 VAL 30 -3.660 1.355 7.005 239 HG13 VAL 30 3HG1 VAL 30 -4.075 -0.346 6.789 240 HG21 VAL 30 3HG2 VAL 30 -6.718 2.176 9.071 241 HG22 VAL 30 1HG2 VAL 30 -5.249 2.878 8.387 242 HG23 VAL 30 2HG2 VAL 30 -5.139 1.726 9.721 243 H VAL 31 H VAL 31 -5.480 0.726 4.180 244 HA VAL 31 HA VAL 31 -6.077 -2.180 4.142 245 HB VAL 31 HB VAL 31 -7.276 -1.034 2.317 246 HG11 VAL 31 1HG1 VAL 31 -6.124 0.206 0.530 247 HG12 VAL 31 2HG1 VAL 31 -4.584 0.025 1.376 248 HG13 VAL 31 3HG1 VAL 31 -5.880 0.983 2.098 249 HG21 VAL 31 3HG2 VAL 31 -6.417 -2.305 0.379 250 HG22 VAL 31 1HG2 VAL 31 -6.396 -3.291 1.843 251 HG23 VAL 31 2HG2 VAL 31 -4.895 -2.594 1.227 252 H SER 32 H SER 32 -4.296 -3.498 3.974 253 HA SER 32 HA SER 32 -1.666 -2.311 3.291 254 HB2 SER 32 2HB SER 32 -1.882 -2.602 5.765 255 HB3 SER 32 3HB SER 32 -2.187 -4.323 5.528 256 HG SER 32 HG SER 32 -0.145 -4.629 5.248 257 H LEU 33 H LEU 33 -0.561 -3.466 1.808 258 HA LEU 33 HA LEU 33 -1.875 -5.892 0.728 259 HB2 LEU 33 2HB LEU 33 -0.339 -3.662 -0.640 260 HB3 LEU 33 3HB LEU 33 -0.715 -5.179 -1.442 261 HG LEU 33 HG LEU 33 -2.725 -3.121 -0.448 262 HD11 LEU 33 1HD1 LEU 33 -1.536 -2.497 -2.480 263 HD12 LEU 33 2HD1 LEU 33 -3.236 -2.824 -2.802 264 HD13 LEU 33 3HD1 LEU 33 -2.008 -4.014 -3.246 265 HD21 LEU 33 3HD2 LEU 33 -4.469 -4.541 -1.463 266 HD22 LEU 33 1HD2 LEU 33 -3.662 -5.368 -0.131 267 HD23 LEU 33 2HD2 LEU 33 -3.266 -5.792 -1.802 268 H ILE 34 H ILE 34 -0.743 -7.670 0.494 269 HA ILE 34 HA ILE 34 1.860 -7.871 1.738 270 HB ILE 34 HB ILE 34 -0.085 -9.962 0.644 271 HG12 ILE 34 2HG1 ILE 34 -0.097 -10.670 3.148 272 HG13 ILE 34 3HG1 ILE 34 0.725 -9.149 3.471 273 HG21 ILE 34 1HG2 ILE 34 2.141 -10.869 0.257 274 HG22 ILE 34 2HG2 ILE 34 1.394 -11.724 1.609 275 HG23 ILE 34 3HG2 ILE 34 2.616 -10.491 1.911 276 HD11 ILE 34 3HD1 ILE 34 -1.646 -9.017 3.939 277 HD12 ILE 34 1HD1 ILE 34 -2.023 -9.456 2.273 278 HD13 ILE 34 2HD1 ILE 34 -1.210 -7.928 2.622 279 H PHE 35 H PHE 35 3.561 -7.334 0.512 280 HA PHE 35 HA PHE 35 3.855 -8.415 -2.216 281 HB2 PHE 35 2HB PHE 35 5.484 -6.321 -0.709 282 HB3 PHE 35 3HB PHE 35 5.894 -6.921 -2.314 283 HD1 PHE 35 HD2 PHE 35 3.369 -4.958 -0.393 284 HD2 PHE 35 HD1 PHE 35 4.739 -6.117 -4.275 285 HE1 PHE 35 HE2 PHE 35 1.936 -3.241 -1.417 286 HE2 PHE 35 HE1 PHE 35 3.309 -4.398 -5.284 287 HZ PHE 35 HZ PHE 35 1.908 -2.952 -3.861 288 H THR 36 H THR 36 4.514 -10.471 -2.066 289 HA THR 36 HA THR 36 6.311 -11.407 0.040 290 HB THR 36 HB THR 36 4.788 -12.894 -2.140 291 HG1 THR 36 HG1 THR 36 3.352 -12.085 -0.680 292 HG21 THR 36 3HG2 THR 36 5.235 -14.927 -0.797 293 HG22 THR 36 1HG2 THR 36 6.258 -13.990 0.286 294 HG23 THR 36 2HG2 THR 36 6.736 -14.220 -1.400 295 H GLN 37 H GLN 37 8.449 -10.877 -0.451 296 HA GLN 37 HA GLN 37 9.600 -11.536 -3.050 297 HB2 GLN 37 2HB GLN 37 10.536 -9.622 -1.865 298 HB3 GLN 37 3HB GLN 37 10.910 -10.620 -0.465 299 HG2 GLN 37 2HG GLN 37 12.524 -11.915 -1.883 300 HG3 GLN 37 3HG GLN 37 12.183 -10.811 -3.216 301 HE21 GLN 37 1HE2 GLN 37 12.439 -9.724 0.138 302 HE22 GLN 37 2HE2 GLN 37 13.923 -8.877 -0.069 303 H SER 38 H SER 38 9.752 -13.654 -3.481 304 HA SER 38 HA SER 38 10.183 -15.666 -1.457 305 HB2 SER 38 2HB SER 38 10.226 -17.186 -3.496 306 HB3 SER 38 3HB SER 38 8.771 -16.213 -3.313 307 HG SER 38 HG SER 38 10.952 -15.362 -4.910 308 H GLY 39 H GLY 39 11.886 -17.355 -1.849 309 HA2 GLY 39 2HA GLY 39 14.317 -16.915 -3.182 310 HA3 GLY 39 3HA GLY 39 14.477 -16.357 -1.514 311 H LYS 40 H LYS 40 16.061 -18.030 -1.259 312 HA LYS 40 HA LYS 40 14.924 -20.545 -0.334 313 HB2 LYS 40 2HB LYS 40 16.511 -21.936 -1.638 314 HB3 LYS 40 3HB LYS 40 15.370 -21.094 -2.656 315 HG2 LYS 40 2HG LYS 40 17.294 -20.847 -3.896 316 HG3 LYS 40 3HG LYS 40 17.353 -19.357 -2.950 317 HD2 LYS 40 2HD LYS 40 18.986 -20.356 -1.413 318 HD3 LYS 40 3HD LYS 40 18.829 -21.924 -2.210 319 HE2 LYS 40 2HE LYS 40 19.784 -20.972 -4.267 320 HE3 LYS 40 3HE LYS 40 19.937 -19.401 -3.477 321 HZ1 LYS 40 3HZ LYS 40 22.029 -20.502 -3.420 322 HZ2 LYS 40 1HZ LYS 40 21.356 -21.904 -2.767 323 HZ3 LYS 40 2HZ LYS 40 21.421 -20.497 -1.840 324 H ARG 41 H ARG 41 16.240 -21.562 1.250 325 HA ARG 41 HA ARG 41 18.456 -19.874 2.290 326 HB2 ARG 41 2HB ARG 41 16.347 -19.715 3.628 327 HB3 ARG 41 3HB ARG 41 16.419 -21.448 3.919 328 HG2 ARG 41 2HG ARG 41 18.616 -21.100 5.110 329 HG3 ARG 41 3HG ARG 41 18.406 -19.361 4.883 330 HD2 ARG 41 2HD ARG 41 16.589 -21.205 6.467 331 HD3 ARG 41 3HD ARG 41 17.708 -20.017 7.136 332 HE ARG 41 HE ARG 41 15.977 -18.625 5.459 333 HH11 ARG 41 2HH1 ARG 41 15.631 -20.528 8.399 334 HH12 ARG 41 1HH1 ARG 41 14.243 -19.646 8.940 335 HH21 ARG 41 2HH2 ARG 41 14.167 -17.479 6.209 336 HH22 ARG 41 1HH2 ARG 41 13.421 -17.934 7.709 337 H ASP 42 H ASP 42 20.327 -20.883 2.208 338 HA ASP 42 HA ASP 42 20.723 -23.733 2.085 339 HB2 ASP 42 2HB ASP 42 22.555 -21.326 2.362 340 HB3 ASP 42 3HB ASP 42 23.210 -22.936 2.546 341 H LEU 43 H LEU 43 20.449 -25.007 3.842 342 HA LEU 43 HA LEU 43 20.419 -23.875 6.515 343 HB2 LEU 43 2HB LEU 43 19.924 -26.725 5.593 344 HB3 LEU 43 3HB LEU 43 19.614 -26.101 7.209 345 HG LEU 43 HG LEU 43 18.165 -25.352 4.637 346 HD11 LEU 43 1HD1 LEU 43 17.104 -26.613 7.175 347 HD12 LEU 43 2HD1 LEU 43 17.397 -27.436 5.642 348 HD13 LEU 43 3HD1 LEU 43 16.161 -26.187 5.741 349 HD21 LEU 43 3HD2 LEU 43 18.489 -23.297 5.900 350 HD22 LEU 43 1HD2 LEU 43 17.844 -24.054 7.361 351 HD23 LEU 43 2HD2 LEU 43 16.803 -23.787 5.962 352 H THR 44 H THR 44 22.827 -25.188 4.605 353 HA THR 44 HA THR 44 24.450 -26.404 6.638 354 HB THR 44 HB THR 44 24.930 -27.121 4.434 355 HG1 THR 44 HG1 THR 44 27.022 -26.999 4.626 356 HG21 THR 44 3HG2 THR 44 23.945 -25.260 3.156 357 HG22 THR 44 1HG2 THR 44 25.551 -25.667 2.550 358 HG23 THR 44 2HG2 THR 44 25.327 -24.236 3.562 359 H ASN 45 H ASN 45 24.522 -23.185 5.034 360 HA ASN 45 HA ASN 45 26.350 -22.114 7.077 361 HB2 ASN 45 2HB ASN 45 26.631 -21.553 4.633 362 HB3 ASN 45 3HB ASN 45 25.108 -20.686 4.684 363 HD21 ASN 45 1HD2 ASN 45 25.014 -18.717 5.934 364 HD22 ASN 45 2HD2 ASN 45 26.450 -17.834 6.299 365 H GLY 46 H GLY 46 22.968 -22.144 6.314 366 HA2 GLY 46 2HA GLY 46 21.139 -21.337 7.452 367 HA3 GLY 46 3HA GLY 46 22.199 -20.574 8.626 368 H LYS 47 H LYS 47 22.480 -20.075 5.167 369 HA LYS 47 HA LYS 47 22.148 -17.173 5.564 370 HB2 LYS 47 2HB LYS 47 23.341 -16.975 3.375 371 HB3 LYS 47 3HB LYS 47 24.272 -17.841 4.588 372 HG2 LYS 47 2HG LYS 47 23.622 -19.981 3.555 373 HG3 LYS 47 3HG LYS 47 22.723 -19.105 2.320 374 HD2 LYS 47 2HD LYS 47 25.720 -18.837 2.764 375 HD3 LYS 47 3HD LYS 47 24.989 -19.948 1.609 376 HE2 LYS 47 2HE LYS 47 25.636 -18.071 0.328 377 HE3 LYS 47 3HE LYS 47 23.897 -17.882 0.544 378 HZ1 LYS 47 3HZ LYS 47 25.976 -16.503 2.145 379 HZ2 LYS 47 1HZ LYS 47 24.310 -16.267 2.270 380 HZ3 LYS 47 2HZ LYS 47 25.123 -15.818 0.864 381 H GLU 48 H GLU 48 20.611 -15.980 4.516 382 HA GLU 48 HA GLU 48 18.490 -17.383 3.027 383 HB2 GLU 48 2HB GLU 48 18.560 -14.679 4.413 384 HB3 GLU 48 3HB GLU 48 17.201 -15.234 3.428 385 HG2 GLU 48 2HG GLU 48 17.033 -17.241 4.944 386 HG3 GLU 48 3HG GLU 48 18.223 -16.476 5.988 387 H ILE 49 H ILE 49 18.660 -17.334 0.952 388 HA ILE 49 HA ILE 49 20.003 -15.132 -0.501 389 HB ILE 49 HB ILE 49 19.199 -17.884 -1.587 390 HG12 ILE 49 2HG1 ILE 49 21.770 -18.197 -1.751 391 HG13 ILE 49 3HG1 ILE 49 21.906 -16.821 -0.664 392 HG21 ILE 49 1HG2 ILE 49 20.801 -15.658 -2.908 393 HG22 ILE 49 2HG2 ILE 49 19.173 -16.174 -3.355 394 HG23 ILE 49 3HG2 ILE 49 20.540 -17.265 -3.592 395 HD11 ILE 49 3HD1 ILE 49 20.503 -19.414 -0.045 396 HD12 ILE 49 1HD1 ILE 49 20.722 -18.051 1.056 397 HD13 ILE 49 2HD1 ILE 49 22.122 -18.954 0.481 398 H TRP 50 H TRP 50 18.586 -13.588 -1.019 399 HA TRP 50 HA TRP 50 15.830 -14.239 -1.853 400 HB2 TRP 50 2HB TRP 50 17.077 -11.509 -1.277 401 HB3 TRP 50 3HB TRP 50 15.360 -11.867 -1.473 402 HD1 TRP 50 HD1 TRP 50 18.035 -11.704 1.165 403 HE1 TRP 50 HE1 TRP 50 17.104 -12.541 3.407 404 HE3 TRP 50 HE3 TRP 50 13.652 -13.684 -0.495 405 HZ2 TRP 50 HZ2 TRP 50 14.802 -13.869 4.347 406 HZ3 TRP 50 HZ3 TRP 50 12.153 -14.724 1.123 407 HH2 TRP 50 HH2 TRP 50 12.701 -14.821 3.503 408 H ASP 51 H ASP 51 15.171 -13.864 -3.941 409 HA ASP 51 HA ASP 51 17.108 -13.546 -6.011 410 HB2 ASP 51 2HB ASP 51 14.870 -14.787 -6.187 411 HB3 ASP 51 3HB ASP 51 14.083 -13.219 -6.271 412 H SER 52 H SER 52 18.129 -11.623 -6.311 413 HA SER 52 HA SER 52 17.079 -9.139 -5.278 414 HB2 SER 52 2HB SER 52 19.291 -8.215 -6.094 415 HB3 SER 52 3HB SER 52 19.437 -9.584 -4.996 416 HG SER 52 HG SER 52 20.484 -10.568 -6.498 417 H LYS 53 H LYS 53 16.749 -10.718 -8.265 418 HA LYS 53 HA LYS 53 16.104 -8.253 -9.753 419 HB2 LYS 53 2HB LYS 53 16.151 -11.166 -10.649 420 HB3 LYS 53 3HB LYS 53 15.825 -9.781 -11.695 421 HG2 LYS 53 2HG LYS 53 18.096 -8.919 -11.246 422 HG3 LYS 53 3HG LYS 53 18.424 -10.325 -10.225 423 HD2 LYS 53 2HD LYS 53 18.154 -11.818 -12.173 424 HD3 LYS 53 3HD LYS 53 17.752 -10.435 -13.196 425 HE2 LYS 53 2HE LYS 53 20.025 -9.503 -12.777 426 HE3 LYS 53 3HE LYS 53 20.413 -10.931 -11.816 427 HZ1 LYS 53 3HZ LYS 53 21.255 -11.070 -14.087 428 HZ2 LYS 53 1HZ LYS 53 19.679 -10.965 -14.695 429 HZ3 LYS 53 2HZ LYS 53 20.141 -12.296 -13.763 430 H TRP 54 H TRP 54 14.576 -10.231 -7.597 431 HA TRP 54 HA TRP 54 12.077 -10.784 -8.808 432 HB2 TRP 54 2HB TRP 54 12.814 -12.020 -6.822 433 HB3 TRP 54 3HB TRP 54 12.864 -10.550 -5.866 434 HD1 TRP 54 HD1 TRP 54 10.547 -9.691 -4.828 435 HE1 TRP 54 HE1 TRP 54 8.228 -10.767 -4.604 436 HE3 TRP 54 HE3 TRP 54 11.134 -13.594 -8.093 437 HZ2 TRP 54 HZ2 TRP 54 6.821 -12.963 -5.668 438 HZ3 TRP 54 HZ3 TRP 54 9.242 -15.135 -8.431 439 HH2 TRP 54 HH2 TRP 54 7.127 -14.825 -7.243 440 H SER 55 H SER 55 10.105 -9.765 -8.573 441 HA SER 55 HA SER 55 9.796 -7.250 -7.162 442 HB2 SER 55 2HB SER 55 8.914 -6.065 -9.161 443 HB3 SER 55 3HB SER 55 10.593 -6.533 -9.421 444 HG SER 55 HG SER 55 9.074 -6.963 -11.188 445 H LEU 56 H LEU 56 7.724 -7.144 -6.389 446 HA LEU 56 HA LEU 56 5.820 -9.268 -7.180 447 HB2 LEU 56 2HB LEU 56 6.847 -9.166 -4.771 448 HB3 LEU 56 3HB LEU 56 5.809 -7.780 -4.518 449 HG LEU 56 HG LEU 56 4.857 -9.859 -3.566 450 HD11 LEU 56 1HD1 LEU 56 2.593 -9.767 -4.431 451 HD12 LEU 56 2HD1 LEU 56 3.144 -8.881 -5.855 452 HD13 LEU 56 3HD1 LEU 56 3.264 -8.145 -4.256 453 HD21 LEU 56 3HD2 LEU 56 4.085 -11.700 -4.971 454 HD22 LEU 56 1HD2 LEU 56 5.830 -11.481 -5.092 455 HD23 LEU 56 2HD2 LEU 56 4.779 -10.925 -6.398 456 H THR 57 H THR 57 4.072 -8.548 -8.218 457 HA THR 57 HA THR 57 3.262 -5.714 -8.102 458 HB THR 57 HB THR 57 2.283 -7.885 -10.019 459 HG1 THR 57 HG1 THR 57 4.235 -5.892 -10.569 460 HG21 THR 57 3HG2 THR 57 1.605 -5.973 -11.438 461 HG22 THR 57 1HG2 THR 57 2.166 -4.850 -10.203 462 HG23 THR 57 2HG2 THR 57 0.787 -5.908 -9.871 463 H GLN 58 H GLN 58 1.414 -5.172 -6.996 464 HA GLN 58 HA GLN 58 -0.581 -7.203 -6.251 465 HB2 GLN 58 2HB GLN 58 1.186 -6.938 -4.409 466 HB3 GLN 58 3HB GLN 58 0.646 -5.277 -4.226 467 HG2 GLN 58 2HG GLN 58 -0.406 -6.553 -2.512 468 HG3 GLN 58 3HG GLN 58 -1.650 -6.142 -3.694 469 HE21 GLN 58 1HE2 GLN 58 0.771 -8.724 -3.983 470 HE22 GLN 58 2HE2 GLN 58 -0.372 -10.013 -3.982 471 H THR 59 H THR 59 -2.624 -6.391 -6.294 472 HA THR 59 HA THR 59 -2.987 -3.951 -7.735 473 HB THR 59 HB THR 59 -5.146 -5.788 -6.602 474 HG1 THR 59 HG1 THR 59 -4.443 -6.065 -9.261 475 HG21 THR 59 3HG2 THR 59 -6.025 -3.633 -7.444 476 HG22 THR 59 1HG2 THR 59 -6.497 -4.963 -8.512 477 HG23 THR 59 2HG2 THR 59 -5.186 -3.881 -8.977 478 H PHE 60 H PHE 60 -2.639 -2.107 -6.461 479 HA PHE 60 HA PHE 60 -4.238 -1.546 -4.130 480 HB2 PHE 60 2HB PHE 60 -2.469 0.118 -5.940 481 HB3 PHE 60 3HB PHE 60 -3.679 0.958 -4.982 482 HD1 PHE 60 HD1 PHE 60 -3.609 0.795 -2.469 483 HD2 PHE 60 HD2 PHE 60 -0.423 -0.708 -4.899 484 HE1 PHE 60 HE1 PHE 60 -2.126 0.755 -0.512 485 HE2 PHE 60 HE2 PHE 60 1.053 -0.746 -2.931 486 HZ PHE 60 HZ PHE 60 0.200 -0.021 -0.738 487 H GLU 61 H GLU 61 -6.310 -1.854 -4.442 488 HA GLU 61 HA GLU 61 -7.697 -0.877 -6.867 489 HB2 GLU 61 2HB GLU 61 -9.476 -2.597 -6.175 490 HB3 GLU 61 3HB GLU 61 -7.953 -3.234 -6.790 491 HG2 GLU 61 2HG GLU 61 -7.188 -3.711 -4.515 492 HG3 GLU 61 3HG GLU 61 -8.684 -3.020 -3.857 493 H ALA 62 H ALA 62 -9.925 -0.179 -6.527 494 HA ALA 62 HA ALA 62 -9.926 2.239 -5.318 495 HB1 ALA 62 3HB ALA 62 -12.328 2.349 -5.805 496 HB2 ALA 62 1HB ALA 62 -12.390 0.590 -5.957 497 HB3 ALA 62 2HB ALA 62 -11.461 1.545 -7.110 498 H LEU 63 H LEU 63 -9.763 2.761 -3.216 499 HA LEU 63 HA LEU 63 -11.131 1.310 -1.111 500 HB2 LEU 63 2HB LEU 63 -9.447 3.843 -1.114 501 HB3 LEU 63 3HB LEU 63 -10.315 3.319 0.318 502 HG LEU 63 HG LEU 63 -8.053 2.590 0.577 503 HD11 LEU 63 1HD1 LEU 63 -9.734 0.997 1.322 504 HD12 LEU 63 2HD1 LEU 63 -8.258 0.191 0.810 505 HD13 LEU 63 3HD1 LEU 63 -9.674 0.176 -0.240 506 HD21 LEU 63 3HD2 LEU 63 -6.826 1.199 -1.029 507 HD22 LEU 63 1HD2 LEU 63 -7.291 2.744 -1.739 508 HD23 LEU 63 2HD2 LEU 63 -8.186 1.283 -2.156 509 HA PRO 64 HA PRO 64 -14.999 3.367 -1.962 510 HB2 PRO 64 2HB PRO 64 -16.359 2.742 0.381 511 HB3 PRO 64 3HB PRO 64 -16.086 1.588 -0.939 512 HG2 PRO 64 2HG PRO 64 -14.548 1.910 1.623 513 HG3 PRO 64 3HG PRO 64 -15.094 0.418 0.822 514 HD2 PRO 64 2HD PRO 64 -12.545 1.270 0.599 515 HD3 PRO 64 3HD PRO 64 -13.368 0.465 -0.755 516 H SER 65 H SER 65 -14.492 5.541 -2.011 517 HA SER 65 HA SER 65 -14.246 7.163 0.389 518 HB2 SER 65 2HB SER 65 -12.849 7.725 -1.559 519 HB3 SER 65 3HB SER 65 -14.272 7.875 -2.586 520 HG SER 65 HG SER 65 -13.898 9.483 -0.279 521 HA PRO 66 HA PRO 66 -18.847 7.031 0.485 522 HB2 PRO 66 2HB PRO 66 -19.060 8.861 2.643 523 HB3 PRO 66 3HB PRO 66 -18.908 7.098 2.797 524 HG2 PRO 66 2HG PRO 66 -16.769 9.200 2.974 525 HG3 PRO 66 3HG PRO 66 -16.990 7.732 3.958 526 HD2 PRO 66 2HD PRO 66 -15.150 7.782 2.029 527 HD3 PRO 66 3HD PRO 66 -16.122 6.319 2.281 528 H VAL 67 H VAL 67 -19.974 8.136 -1.038 529 HA VAL 67 HA VAL 67 -19.436 10.831 -1.837 530 HB VAL 67 HB VAL 67 -22.006 9.241 -2.354 531 HG11 VAL 67 1HG1 VAL 67 -22.249 11.650 -2.823 532 HG12 VAL 67 2HG1 VAL 67 -22.280 10.720 -4.321 533 HG13 VAL 67 3HG1 VAL 67 -20.824 11.611 -3.867 534 HG21 VAL 67 3HG2 VAL 67 -20.074 7.944 -3.146 535 HG22 VAL 67 1HG2 VAL 67 -19.490 9.334 -4.064 536 HG23 VAL 67 2HG2 VAL 67 -21.011 8.555 -4.509 537 H ILE 68 H ILE 68 -19.755 12.423 -0.447 538 HA ILE 68 HA ILE 68 -21.904 12.319 1.574 539 HB ILE 68 HB ILE 68 -19.465 14.166 1.371 540 HG12 ILE 68 2HG1 ILE 68 -19.940 11.757 3.198 541 HG13 ILE 68 3HG1 ILE 68 -18.876 11.774 1.796 542 HG21 ILE 68 1HG2 ILE 68 -21.455 13.845 3.649 543 HG22 ILE 68 2HG2 ILE 68 -21.307 15.250 2.592 544 HG23 ILE 68 3HG2 ILE 68 -19.994 14.837 3.693 545 HD11 ILE 68 3HD1 ILE 68 -17.460 13.424 2.879 546 HD12 ILE 68 1HD1 ILE 68 -17.629 11.964 3.851 547 HD13 ILE 68 2HD1 ILE 68 -18.521 13.422 4.290 548 H ILE 69 H ILE 69 -23.468 13.779 1.657 549 HA ILE 69 HA ILE 69 -24.231 14.974 -0.833 550 HB ILE 69 HB ILE 69 -25.585 14.738 1.898 551 HG12 ILE 69 2HG1 ILE 69 -27.050 13.115 0.871 552 HG13 ILE 69 3HG1 ILE 69 -26.455 13.437 -0.739 553 HG21 ILE 69 1HG2 ILE 69 -26.797 15.936 -0.626 554 HG22 ILE 69 2HG2 ILE 69 -26.403 16.817 0.852 555 HG23 ILE 69 3HG2 ILE 69 -27.674 15.594 0.869 556 HD11 ILE 69 3HD1 ILE 69 -25.791 11.266 0.103 557 HD12 ILE 69 1HD1 ILE 69 -25.002 12.018 1.489 558 HD13 ILE 69 2HD1 ILE 69 -24.379 12.294 -0.139 559 H GLY 70 H GLY 70 -23.761 17.011 -1.414 560 HA2 GLY 70 2HA GLY 70 -23.434 19.317 -1.221 561 HA3 GLY 70 3HA GLY 70 -23.428 19.186 0.527 562 H TYR 71 H TYR 71 -21.419 16.864 -0.898 563 HA TYR 71 HA TYR 71 -18.998 18.532 -0.862 564 HB2 TYR 71 2HB TYR 71 -19.441 16.092 0.896 565 HB3 TYR 71 3HB TYR 71 -17.848 16.730 0.530 566 HD1 TYR 71 HD1 TYR 71 -17.240 19.073 1.277 567 HD2 TYR 71 HD2 TYR 71 -20.802 17.118 2.606 568 HE1 TYR 71 HE1 TYR 71 -17.430 20.666 3.135 569 HE2 TYR 71 HE2 TYR 71 -20.984 18.698 4.454 570 HH TYR 71 HH TYR 71 -19.502 20.210 5.754 571 H THR 72 H THR 72 -17.512 17.929 -2.291 572 HA THR 72 HA THR 72 -17.817 15.424 -3.841 573 HB THR 72 HB THR 72 -16.667 18.079 -4.840 574 HG1 THR 72 HG1 THR 72 -19.150 17.606 -4.322 575 HG21 THR 72 3HG2 THR 72 -17.654 15.674 -6.403 576 HG22 THR 72 1HG2 THR 72 -15.946 16.061 -6.128 577 HG23 THR 72 2HG2 THR 72 -16.965 17.149 -7.074 578 H ALA 73 H ALA 73 -16.094 14.082 -3.626 579 HA ALA 73 HA ALA 73 -13.777 14.720 -2.088 580 HB1 ALA 73 3HB ALA 73 -13.030 12.426 -2.642 581 HB2 ALA 73 1HB ALA 73 -14.321 12.295 -3.846 582 HB3 ALA 73 2HB ALA 73 -14.719 12.449 -2.135 583 H ASP 74 H ASP 74 -11.744 15.261 -2.721 584 HA ASP 74 HA ASP 74 -11.160 16.346 -5.288 585 HB2 ASP 74 2HB ASP 74 -9.463 15.739 -2.837 586 HB3 ASP 74 3HB ASP 74 -8.757 16.411 -4.299 587 H LYS 75 H LYS 75 -10.650 13.270 -3.776 588 HA LYS 75 HA LYS 75 -10.132 12.090 -6.389 589 HB2 LYS 75 2HB LYS 75 -8.455 10.450 -5.421 590 HB3 LYS 75 3HB LYS 75 -7.863 12.081 -5.679 591 HG2 LYS 75 2HG LYS 75 -8.816 11.262 -2.934 592 HG3 LYS 75 3HG LYS 75 -7.223 10.754 -3.496 593 HD2 LYS 75 2HD LYS 75 -8.183 13.640 -3.320 594 HD3 LYS 75 3HD LYS 75 -7.144 12.835 -2.140 595 HE2 LYS 75 2HE LYS 75 -5.394 12.546 -3.847 596 HE3 LYS 75 3HE LYS 75 -6.434 13.289 -5.066 597 HZ1 LYS 75 3HZ LYS 75 -6.402 15.333 -3.769 598 HZ2 LYS 75 1HZ LYS 75 -4.836 14.864 -4.206 599 HZ3 LYS 75 2HZ LYS 75 -5.385 14.616 -2.627 600 HA PRO 76 HA PRO 76 -13.472 9.727 -4.269 601 HB2 PRO 76 2HB PRO 76 -14.926 9.202 -6.519 602 HB3 PRO 76 3HB PRO 76 -14.999 10.791 -5.720 603 HG2 PRO 76 2HG PRO 76 -13.365 9.969 -8.119 604 HG3 PRO 76 3HG PRO 76 -14.392 11.410 -7.902 605 HD2 PRO 76 2HD PRO 76 -11.694 11.516 -7.551 606 HD3 PRO 76 3HD PRO 76 -12.804 12.521 -6.597 607 H MET 77 H MET 77 -10.975 9.013 -6.420 608 HA MET 77 HA MET 77 -11.368 6.081 -6.190 609 HB2 MET 77 2HB MET 77 -11.928 6.827 -8.498 610 HB3 MET 77 3HB MET 77 -10.367 7.627 -8.635 611 HG2 MET 77 2HG MET 77 -10.303 5.533 -9.840 612 HG3 MET 77 3HG MET 77 -9.257 5.399 -8.430 613 HE1 MET 77 3HE MET 77 -10.507 2.963 -10.267 614 HE2 MET 77 1HE MET 77 -10.885 1.786 -9.008 615 HE3 MET 77 2HE MET 77 -9.363 2.669 -8.952 616 H VAL 78 H VAL 78 -9.781 5.487 -4.810 617 HA VAL 78 HA VAL 78 -7.031 6.555 -5.175 618 HB VAL 78 HB VAL 78 -8.225 5.672 -2.499 619 HG11 VAL 78 1HG1 VAL 78 -5.561 6.982 -3.174 620 HG12 VAL 78 2HG1 VAL 78 -5.801 5.329 -2.604 621 HG13 VAL 78 3HG1 VAL 78 -6.156 6.688 -1.537 622 HG21 VAL 78 3HG2 VAL 78 -8.193 8.068 -1.860 623 HG22 VAL 78 1HG2 VAL 78 -9.295 7.763 -3.206 624 HG23 VAL 78 2HG2 VAL 78 -7.717 8.495 -3.506 625 H GLY 79 H GLY 79 -5.481 5.011 -5.406 626 HA2 GLY 79 2HA GLY 79 -4.603 2.971 -5.966 627 HA3 GLY 79 3HA GLY 79 -5.837 2.210 -4.959 628 HA PRO 80 HA PRO 80 -7.720 2.283 -9.312 629 HB2 PRO 80 2HB PRO 80 -6.826 3.851 -11.286 630 HB3 PRO 80 3HB PRO 80 -7.623 4.570 -9.869 631 HG2 PRO 80 2HG PRO 80 -4.706 4.500 -10.548 632 HG3 PRO 80 3HG PRO 80 -5.652 5.773 -9.747 633 HD2 PRO 80 2HD PRO 80 -4.076 3.761 -8.457 634 HD3 PRO 80 3HD PRO 80 -5.180 4.915 -7.676 635 H ASP 81 H ASP 81 -4.706 1.121 -8.742 636 HA ASP 81 HA ASP 81 -4.562 -0.503 -11.108 637 HB2 ASP 81 2HB ASP 81 -2.478 0.356 -12.095 638 HB3 ASP 81 3HB ASP 81 -3.706 1.614 -12.095 639 H GLU 82 H GLU 82 -2.441 -1.557 -11.279 640 HA GLU 82 HA GLU 82 -1.789 -2.850 -8.723 641 HB2 GLU 82 2HB GLU 82 -0.825 -3.589 -11.522 642 HB3 GLU 82 3HB GLU 82 -0.600 -4.544 -10.054 643 HG2 GLU 82 2HG GLU 82 -3.114 -4.687 -9.872 644 HG3 GLU 82 3HG GLU 82 -3.210 -3.936 -11.464 645 H VAL 83 H VAL 83 0.034 -2.481 -7.613 646 HA VAL 83 HA VAL 83 2.180 -0.797 -8.780 647 HB VAL 83 HB VAL 83 1.350 -1.087 -5.847 648 HG11 VAL 83 1HG1 VAL 83 3.505 0.679 -7.072 649 HG12 VAL 83 2HG1 VAL 83 3.777 -0.709 -6.016 650 HG13 VAL 83 3HG1 VAL 83 2.981 0.735 -5.388 651 HG21 VAL 83 3HG2 VAL 83 1.028 1.273 -7.741 652 HG22 VAL 83 1HG2 VAL 83 0.581 1.255 -6.035 653 HG23 VAL 83 2HG2 VAL 83 -0.272 0.216 -7.181 654 H THR 84 H THR 84 4.281 -1.481 -8.577 655 HA THR 84 HA THR 84 4.729 -4.259 -7.676 656 HB THR 84 HB THR 84 6.237 -2.679 -9.807 657 HG1 THR 84 HG1 THR 84 4.021 -3.235 -10.353 658 HG21 THR 84 3HG2 THR 84 7.194 -4.865 -10.440 659 HG22 THR 84 1HG2 THR 84 6.313 -5.643 -9.136 660 HG23 THR 84 2HG2 THR 84 7.592 -4.482 -8.759 661 H VAL 85 H VAL 85 5.886 -4.328 -5.797 662 HA VAL 85 HA VAL 85 8.017 -2.346 -5.252 663 HB VAL 85 HB VAL 85 6.970 -4.609 -3.471 664 HG11 VAL 85 1HG1 VAL 85 9.342 -4.159 -2.999 665 HG12 VAL 85 2HG1 VAL 85 8.334 -3.603 -1.663 666 HG13 VAL 85 3HG1 VAL 85 8.998 -2.437 -2.811 667 HG21 VAL 85 3HG2 VAL 85 6.558 -1.609 -3.201 668 HG22 VAL 85 1HG2 VAL 85 5.964 -2.842 -2.085 669 HG23 VAL 85 2HG2 VAL 85 5.338 -2.767 -3.734 670 H ASP 86 H ASP 86 10.029 -2.828 -5.928 671 HA ASP 86 HA ASP 86 10.705 -5.533 -6.850 672 HB2 ASP 86 2HB ASP 86 11.039 -3.484 -8.320 673 HB3 ASP 86 3HB ASP 86 12.253 -2.920 -7.183 674 H SER 87 H SER 87 12.840 -6.407 -6.219 675 HA SER 87 HA SER 87 13.135 -6.573 -3.444 676 HB2 SER 87 2HB SER 87 15.037 -7.390 -5.668 677 HB3 SER 87 3HB SER 87 15.192 -7.896 -3.979 678 HG SER 87 HG SER 87 13.942 -9.454 -4.618 679 H LYS 88 H LYS 88 14.772 -4.500 -5.778 680 HA LYS 88 HA LYS 88 17.015 -3.741 -4.174 681 HB2 LYS 88 2HB LYS 88 15.717 -2.270 -6.505 682 HB3 LYS 88 3HB LYS 88 17.350 -1.993 -5.891 683 HG2 LYS 88 2HG LYS 88 18.104 -4.137 -6.669 684 HG3 LYS 88 3HG LYS 88 16.452 -4.672 -6.999 685 HD2 LYS 88 2HD LYS 88 16.326 -2.809 -8.744 686 HD3 LYS 88 3HD LYS 88 18.065 -2.584 -8.514 687 HE2 LYS 88 2HE LYS 88 17.528 -4.029 -10.472 688 HE3 LYS 88 3HE LYS 88 18.485 -4.875 -9.253 689 HZ1 LYS 88 3HZ LYS 88 16.610 -6.047 -8.514 690 HZ2 LYS 88 1HZ LYS 88 16.543 -6.125 -10.201 691 HZ3 LYS 88 2HZ LYS 88 15.534 -5.060 -9.360 692 H ASN 89 H ASN 89 13.742 -2.553 -4.497 693 HA ASN 89 HA ASN 89 14.187 -0.488 -2.397 694 HB2 ASN 89 2HB ASN 89 12.247 0.734 -3.369 695 HB3 ASN 89 3HB ASN 89 13.555 0.568 -4.535 696 HD21 ASN 89 1HD2 ASN 89 10.346 -0.573 -3.640 697 HD22 ASN 89 2HD2 ASN 89 9.951 -1.226 -5.185 698 H PHE 90 H PHE 90 13.544 -3.438 -2.203 699 HA PHE 90 HA PHE 90 10.839 -3.852 -1.614 700 HB2 PHE 90 2HB PHE 90 12.584 -5.651 -2.053 701 HB3 PHE 90 3HB PHE 90 13.116 -5.452 -0.390 702 HD1 PHE 90 HD2 PHE 90 10.110 -6.249 -2.471 703 HD2 PHE 90 HD1 PHE 90 12.004 -6.670 1.351 704 HE1 PHE 90 HE2 PHE 90 8.339 -7.796 -1.757 705 HE2 PHE 90 HE1 PHE 90 10.221 -8.196 2.052 706 HZ PHE 90 HZ PHE 90 8.398 -8.776 0.505 707 H LEU 91 H LEU 91 13.450 -2.719 0.415 708 HA LEU 91 HA LEU 91 11.944 -2.811 2.890 709 HB2 LEU 91 2HB LEU 91 14.679 -1.705 2.152 710 HB3 LEU 91 3HB LEU 91 14.014 -1.567 3.769 711 HG LEU 91 HG LEU 91 15.544 -3.402 3.823 712 HD11 LEU 91 1HD1 LEU 91 13.470 -3.763 5.057 713 HD12 LEU 91 2HD1 LEU 91 14.175 -5.272 4.492 714 HD13 LEU 91 3HD1 LEU 91 12.771 -4.595 3.662 715 HD21 LEU 91 3HD2 LEU 91 15.770 -3.893 1.437 716 HD22 LEU 91 1HD2 LEU 91 14.164 -4.627 1.408 717 HD23 LEU 91 2HD2 LEU 91 15.464 -5.371 2.346 718 H ASP 92 H ASP 92 11.738 -0.827 0.291 719 HA ASP 92 HA ASP 92 11.331 1.699 1.766 720 HB2 ASP 92 2HB ASP 92 12.861 1.671 -0.231 721 HB3 ASP 92 3HB ASP 92 11.514 1.153 -1.236 722 H LYS 93 H LYS 93 9.430 3.013 1.089 723 HA LYS 93 HA LYS 93 6.969 1.467 1.166 724 HB2 LYS 93 2HB LYS 93 5.872 3.560 1.711 725 HB3 LYS 93 3HB LYS 93 7.377 3.518 2.622 726 HG2 LYS 93 2HG LYS 93 8.421 5.006 0.906 727 HG3 LYS 93 3HG LYS 93 6.887 5.071 0.055 728 HD2 LYS 93 2HD LYS 93 7.134 7.091 1.350 729 HD3 LYS 93 3HD LYS 93 5.845 6.122 2.067 730 HE2 LYS 93 2HE LYS 93 7.245 7.091 3.820 731 HE3 LYS 93 3HE LYS 93 7.450 5.340 3.811 732 HZ1 LYS 93 3HZ LYS 93 9.509 5.649 2.562 733 HZ2 LYS 93 1HZ LYS 93 9.561 6.450 4.046 734 HZ3 LYS 93 2HZ LYS 93 9.314 7.321 2.622 735 H GLN 94 H GLN 94 5.086 2.315 -0.209 736 HA GLN 94 HA GLN 94 5.882 3.448 -2.841 737 HB2 GLN 94 2HB GLN 94 3.544 1.588 -2.211 738 HB3 GLN 94 3HB GLN 94 3.833 2.340 -3.777 739 HG2 GLN 94 2HG GLN 94 5.726 0.395 -2.425 740 HG3 GLN 94 3HG GLN 94 4.534 -0.046 -3.642 741 HE21 GLN 94 1HE2 GLN 94 6.072 -0.825 -5.069 742 HE22 GLN 94 2HE2 GLN 94 7.168 0.196 -5.928 743 H ASN 95 H ASN 95 3.665 3.377 -0.169 744 HA ASN 95 HA ASN 95 2.960 6.089 -0.171 745 HB2 ASN 95 2HB ASN 95 0.537 5.954 -0.710 746 HB3 ASN 95 3HB ASN 95 1.509 5.520 -2.111 747 HD21 ASN 95 1HD2 ASN 95 -1.296 4.853 -1.323 748 HD22 ASN 95 2HD2 ASN 95 -1.385 3.133 -1.435 749 H ARG 96 H ARG 96 1.422 6.518 1.617 750 HA ARG 96 HA ARG 96 1.066 4.338 3.543 751 HB2 ARG 96 2HB ARG 96 2.459 6.971 4.215 752 HB3 ARG 96 3HB ARG 96 1.945 5.774 5.393 753 HG2 ARG 96 2HG ARG 96 3.599 4.180 4.500 754 HG3 ARG 96 3HG ARG 96 4.104 5.375 3.296 755 HD2 ARG 96 2HD ARG 96 4.361 5.589 6.319 756 HD3 ARG 96 3HD ARG 96 5.674 5.443 5.144 757 HE ARG 96 HE ARG 96 4.321 7.705 4.388 758 HH11 ARG 96 2HH1 ARG 96 5.921 6.756 7.374 759 HH12 ARG 96 1HH1 ARG 96 6.286 8.390 7.814 760 HH21 ARG 96 2HH2 ARG 96 4.749 9.796 5.002 761 HH22 ARG 96 1HH2 ARG 96 5.621 10.119 6.469 762 H GLU 97 H GLU 97 0.851 7.867 3.916 763 HA GLU 97 HA GLU 97 -1.864 7.418 4.938 764 HB2 GLU 97 2HB GLU 97 0.063 8.338 6.376 765 HB3 GLU 97 3HB GLU 97 -0.071 9.822 5.442 766 HG2 GLU 97 2HG GLU 97 -2.443 8.635 6.900 767 HG3 GLU 97 3HG GLU 97 -1.282 9.660 7.732 768 H GLU 98 H GLU 98 -3.379 7.831 3.531 769 HA GLU 98 HA GLU 98 -3.114 9.982 1.511 770 HB2 GLU 98 2HB GLU 98 -4.645 7.350 1.293 771 HB3 GLU 98 3HB GLU 98 -4.524 8.576 0.036 772 HG2 GLU 98 2HG GLU 98 -2.263 6.881 1.130 773 HG3 GLU 98 3HG GLU 98 -3.073 6.649 -0.417 774 H THR 99 H THR 99 -4.439 11.643 2.111 775 HA THR 99 HA THR 99 -7.057 11.035 3.357 776 HB THR 99 HB THR 99 -5.540 13.683 3.280 777 HG1 THR 99 HG1 THR 99 -5.020 11.650 4.713 778 HG21 THR 99 3HG2 THR 99 -7.996 14.048 3.387 779 HG22 THR 99 1HG2 THR 99 -7.229 14.481 4.921 780 HG23 THR 99 2HG2 THR 99 -8.097 12.953 4.767 781 H VAL 100 H VAL 100 -8.776 11.087 1.973 782 HA VAL 100 HA VAL 100 -8.664 12.743 -0.457 783 HB VAL 100 HB VAL 100 -10.606 11.699 -1.253 784 HG11 VAL 100 1HG1 VAL 100 -10.353 9.267 -0.941 785 HG12 VAL 100 2HG1 VAL 100 -9.326 9.553 0.467 786 HG13 VAL 100 3HG1 VAL 100 -8.794 10.070 -1.134 787 HG21 VAL 100 3HG2 VAL 100 -11.396 10.845 1.551 788 HG22 VAL 100 1HG2 VAL 100 -12.278 10.449 0.072 789 HG23 VAL 100 2HG2 VAL 100 -12.138 12.129 0.593 790 H ILE 101 H ILE 101 -9.639 14.722 -0.601 791 HA ILE 101 HA ILE 101 -10.796 15.846 1.863 792 HB ILE 101 HB ILE 101 -9.311 17.187 -0.419 793 HG12 ILE 101 2HG1 ILE 101 -7.888 16.121 1.297 794 HG13 ILE 101 3HG1 ILE 101 -7.723 17.871 1.375 795 HG21 ILE 101 1HG2 ILE 101 -10.766 18.585 1.846 796 HG22 ILE 101 2HG2 ILE 101 -11.149 18.690 0.126 797 HG23 ILE 101 3HG2 ILE 101 -9.635 19.358 0.730 798 HD11 ILE 101 3HD1 ILE 101 -9.190 17.907 3.351 799 HD12 ILE 101 1HD1 ILE 101 -7.776 16.880 3.580 800 HD13 ILE 101 2HD1 ILE 101 -9.345 16.148 3.258 801 H TYR 102 H TYR 102 -12.875 16.223 1.925 802 HA TYR 102 HA TYR 102 -14.541 16.256 -0.468 803 HB2 TYR 102 2HB TYR 102 -15.243 16.266 2.498 804 HB3 TYR 102 3HB TYR 102 -16.412 16.184 1.194 805 HD1 TYR 102 HD2 TYR 102 -16.396 14.167 -0.360 806 HD2 TYR 102 HD1 TYR 102 -14.155 14.285 3.277 807 HE1 TYR 102 HE2 TYR 102 -16.177 11.723 -0.402 808 HE2 TYR 102 HE1 TYR 102 -13.940 11.860 3.222 809 HH TYR 102 HH TYR 102 -15.120 9.924 2.237 810 H SER 103 H SER 103 -14.747 18.168 -1.428 811 HA SER 103 HA SER 103 -14.618 20.683 0.078 812 HB2 SER 103 2HB SER 103 -14.426 20.182 -2.922 813 HB3 SER 103 3HB SER 103 -14.166 21.727 -2.099 814 HG SER 103 HG SER 103 -12.612 19.357 -1.917 815 H ALA 104 H ALA 104 -16.375 21.962 0.276 816 HA ALA 104 HA ALA 104 -18.973 20.995 -0.147 817 HB1 ALA 104 3HB ALA 104 -18.394 22.533 1.671 818 HB2 ALA 104 1HB ALA 104 -19.684 23.215 0.679 819 HB3 ALA 104 2HB ALA 104 -18.029 23.810 0.510 820 H ASN 105 H ASN 105 -20.121 20.956 -1.936 821 HA ASN 105 HA ASN 105 -19.306 21.801 -4.479 822 HB2 ASN 105 2HB ASN 105 -22.097 21.089 -3.506 823 HB3 ASN 105 3HB ASN 105 -21.622 21.146 -5.190 824 HD21 ASN 105 1HD2 ASN 105 -22.265 18.983 -5.424 825 HD22 ASN 105 2HD2 ASN 105 -21.340 17.689 -4.770 826 H THR 106 H THR 106 -20.143 23.431 -5.920 827 HA THR 106 HA THR 106 -20.624 25.996 -4.878 828 HB THR 106 HB THR 106 -19.767 25.616 -7.174 829 HG1 THR 106 HG1 THR 106 -20.798 27.624 -6.581 830 HG21 THR 106 3HG2 THR 106 -21.293 25.121 -9.041 831 HG22 THR 106 1HG2 THR 106 -22.628 24.888 -7.913 832 HG23 THR 106 2HG2 THR 106 -21.263 23.773 -7.907 833 H ILE 107 H ILE 107 -22.784 23.397 -5.512 834 HA ILE 107 HA ILE 107 -25.281 24.708 -5.611 835 HB ILE 107 HB ILE 107 -24.569 21.880 -4.719 836 HG12 ILE 107 2HG1 ILE 107 -23.827 22.328 -7.027 837 HG13 ILE 107 3HG1 ILE 107 -25.174 21.199 -7.043 838 HG21 ILE 107 1HG2 ILE 107 -26.926 21.274 -5.212 839 HG22 ILE 107 2HG2 ILE 107 -27.293 22.978 -5.496 840 HG23 ILE 107 3HG2 ILE 107 -26.794 22.440 -3.891 841 HD11 ILE 107 3HD1 ILE 107 -26.674 23.042 -7.696 842 HD12 ILE 107 1HD1 ILE 107 -25.358 22.786 -8.841 843 HD13 ILE 107 2HD1 ILE 107 -25.288 24.139 -7.714 844 H THR 108 H THR 108 -23.494 23.185 -2.870 845 HA THR 108 HA THR 108 -25.407 24.125 -0.908 846 HB THR 108 HB THR 108 -24.167 21.972 -0.595 847 HG1 THR 108 HG1 THR 108 -23.870 23.975 1.417 848 HG21 THR 108 3HG2 THR 108 -21.767 23.738 -0.006 849 HG22 THR 108 1HG2 THR 108 -21.925 22.619 -1.366 850 HG23 THR 108 2HG2 THR 108 -21.866 22.001 0.283 851 H GLN 109 H GLN 109 -22.580 25.436 -2.426 852 HA GLN 109 HA GLN 109 -21.803 27.328 -0.465 853 HB2 GLN 109 2HB GLN 109 -21.561 27.439 -3.494 854 HB3 GLN 109 3HB GLN 109 -20.874 28.660 -2.429 855 HG2 GLN 109 2HG GLN 109 -20.120 25.723 -2.464 856 HG3 GLN 109 3HG GLN 109 -19.194 27.033 -3.188 857 HE21 GLN 109 1HE2 GLN 109 -18.440 25.106 -1.102 858 HE22 GLN 109 2HE2 GLN 109 -17.919 26.049 0.248 859 H ASN 110 H ASN 110 -24.064 27.495 -3.171 860 HA ASN 110 HA ASN 110 -25.711 28.871 -3.802 861 HB2 ASN 110 2HB ASN 110 -26.041 29.318 -0.811 862 HB3 ASN 110 3HB ASN 110 -27.212 29.810 -2.030 863 HD21 ASN 110 1HD2 ASN 110 -25.871 27.122 -0.269 864 HD22 ASN 110 2HD2 ASN 110 -27.041 25.960 -0.775 865 H LYS 111 H LYS 111 -24.815 30.851 -0.995 866 HA LYS 111 HA LYS 111 -23.762 32.983 -2.754 867 HB2 LYS 111 2HB LYS 111 -25.294 33.399 -0.151 868 HB3 LYS 111 3HB LYS 111 -24.709 34.645 -1.246 869 HG2 LYS 111 2HG LYS 111 -26.894 32.626 -1.873 870 HG3 LYS 111 3HG LYS 111 -27.159 34.306 -1.392 871 HD2 LYS 111 2HD LYS 111 -26.032 35.089 -3.443 872 HD3 LYS 111 3HD LYS 111 -25.683 33.421 -3.908 873 HE2 LYS 111 2HE LYS 111 -28.110 32.978 -4.085 874 HE3 LYS 111 3HE LYS 111 -28.441 34.656 -3.645 875 HZ1 LYS 111 3HZ LYS 111 -27.302 35.379 -5.630 876 HZ2 LYS 111 1HZ LYS 111 -28.530 34.290 -6.038 877 HZ3 LYS 111 2HZ LYS 111 -26.917 33.789 -6.038 878 H LYS 112 H LYS 112 -21.670 32.223 -2.430 879 HA LYS 112 HA LYS 112 -20.535 32.204 0.298 880 HB2 LYS 112 2HB LYS 112 -18.453 31.317 -0.790 881 HB3 LYS 112 3HB LYS 112 -19.855 30.276 -0.998 882 HG2 LYS 112 2HG LYS 112 -20.122 31.017 -3.295 883 HG3 LYS 112 3HG LYS 112 -18.822 32.198 -3.105 884 HD2 LYS 112 2HD LYS 112 -17.174 30.403 -2.848 885 HD3 LYS 112 3HD LYS 112 -18.450 29.181 -2.866 886 HE2 LYS 112 2HE LYS 112 -18.985 29.746 -5.190 887 HE3 LYS 112 3HE LYS 112 -17.783 31.036 -5.175 888 HZ1 LYS 112 3HZ LYS 112 -17.157 28.167 -4.776 889 HZ2 LYS 112 1HZ LYS 112 -16.054 29.434 -4.924 890 HZ3 LYS 112 2HZ LYS 112 -17.006 28.987 -6.248 891 H ASP 113 H ASP 113 -20.054 33.749 -2.890 892 HA ASP 113 HA ASP 113 -18.318 35.839 -1.885 893 HB2 ASP 113 2HB ASP 113 -18.439 36.780 -4.137 894 HB3 ASP 113 3HB ASP 113 -18.203 35.039 -4.262 895 H GLY 114 H GLY 114 -19.106 38.218 -2.520 896 HA2 GLY 114 2HA GLY 114 -20.356 39.975 -1.743 897 HA3 GLY 114 3HA GLY 114 -21.790 38.952 -1.903 898 H LEU 115 H LEU 115 -18.836 39.044 0.034 899 HA LEU 115 HA LEU 115 -19.737 37.502 2.183 900 HB2 LEU 115 2HB LEU 115 -17.508 39.570 2.109 901 HB3 LEU 115 3HB LEU 115 -17.700 38.352 3.360 902 HG LEU 115 HG LEU 115 -17.209 37.662 0.431 903 HD11 LEU 115 1HD1 LEU 115 -14.882 37.265 1.004 904 HD12 LEU 115 2HD1 LEU 115 -15.157 37.842 2.653 905 HD13 LEU 115 3HD1 LEU 115 -15.309 38.952 1.286 906 HD21 LEU 115 3HD2 LEU 115 -16.571 35.452 1.328 907 HD22 LEU 115 1HD2 LEU 115 -18.240 35.856 1.722 908 HD23 LEU 115 2HD2 LEU 115 -16.988 35.989 2.958 909 H GLU 116 H GLU 116 -18.881 40.936 2.437 910 HA GLU 116 HA GLU 116 -19.501 42.673 3.611 911 HB2 GLU 116 2HB GLU 116 -21.700 43.339 3.750 912 HB3 GLU 116 3HB GLU 116 -21.794 42.096 2.515 913 HG2 GLU 116 2HG GLU 116 -22.577 40.504 4.359 914 HG3 GLU 116 3HG GLU 116 -22.700 41.918 5.405 915 H HIS 117 H HIS 117 -20.532 39.698 5.274 916 HA HIS 117 HA HIS 117 -20.222 40.794 7.923 917 HB2 HIS 117 2HB HIS 117 -20.736 38.535 8.715 918 HB3 HIS 117 3HB HIS 117 -21.840 38.958 7.418 919 HD1 HIS 117 HD1 HIS 117 -19.357 36.447 8.423 920 HD2 HIS 117 HD2 HIS 117 -21.286 37.538 4.920 921 HE1 HIS 117 HE1 HIS 117 -18.938 34.575 6.807 922 HE2 HIS 117 HE2 HIS 117 -20.271 35.186 4.767 923 H HIS 118 H HIS 118 -18.401 40.908 9.088 924 HA HIS 118 HA HIS 118 -16.354 38.963 9.139 925 HB2 HIS 118 2HB HIS 118 -14.427 40.344 8.318 926 HB3 HIS 118 3HB HIS 118 -15.558 39.908 7.050 927 HD1 HIS 118 HD1 HIS 118 -17.285 41.917 6.365 928 HD2 HIS 118 HD2 HIS 118 -13.835 43.034 8.379 929 HE1 HIS 118 HE1 HIS 118 -17.044 44.372 5.980 930 HE2 HIS 118 HE2 HIS 118 -15.063 45.054 7.366 931 H HIS 119 H HIS 119 -17.329 39.272 11.269 932 HA HIS 119 HA HIS 119 -16.705 41.601 12.866 933 HB2 HIS 119 2HB HIS 119 -17.464 38.801 13.827 934 HB3 HIS 119 3HB HIS 119 -17.511 40.275 14.785 935 HD1 HIS 119 HD1 HIS 119 -19.629 41.662 14.675 936 HD2 HIS 119 HD2 HIS 119 -19.524 38.652 11.813 937 HE1 HIS 119 HE1 HIS 119 -21.925 41.602 13.659 938 HE2 HIS 119 HE2 HIS 119 -21.870 39.662 12.076 939 H HIS 120 H HIS 120 -15.409 38.339 12.523 940 HA HIS 120 HA HIS 120 -12.695 39.165 12.872 941 HB2 HIS 120 2HB HIS 120 -12.131 37.820 14.861 942 HB3 HIS 120 3HB HIS 120 -13.349 39.006 15.289 943 HD1 HIS 120 HD1 HIS 120 -12.632 35.426 15.420 944 HD2 HIS 120 HD2 HIS 120 -16.020 37.820 15.615 945 HE1 HIS 120 HE1 HIS 120 -14.427 33.973 16.391 946 HE2 HIS 120 HE2 HIS 120 -16.487 35.417 16.427 947 H HIS 121 H HIS 121 -11.232 37.165 12.690 948 HA HIS 121 HA HIS 121 -12.441 35.086 10.988 949 HB2 HIS 121 2HB HIS 121 -10.111 34.317 10.594 950 HB3 HIS 121 3HB HIS 121 -10.282 36.024 10.224 951 HD1 HIS 121 HD1 HIS 121 -8.651 37.580 11.336 952 HD2 HIS 121 HD2 HIS 121 -8.687 33.834 13.116 953 HE1 HIS 121 HE1 HIS 121 -6.754 37.592 12.973 954 HE2 HIS 121 HE2 HIS 121 -6.945 35.397 14.181 955 H HIS 122 H HIS 122 -12.396 32.841 11.601 956 HA HIS 122 HA HIS 122 -12.687 32.344 14.404 957 HB2 HIS 122 2HB HIS 122 -13.997 31.048 12.770 958 HB3 HIS 122 3HB HIS 122 -12.524 30.345 12.107 959 HD1 HIS 122 HD1 HIS 122 -11.853 28.165 13.096 960 HD2 HIS 122 HD2 HIS 122 -14.399 30.263 15.616 961 HE1 HIS 122 HE1 HIS 122 -12.309 26.630 15.019 962 HE2 HIS 122 HE2 HIS 122 -13.973 27.863 16.447
Contact the webmaster for help, if required. Friday, May 3, 2024 12:15:08 AM GMT (wattos1)