NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594475 | 2n5i | 25717 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 3.446 16.096 -2.550 2 H2 MET 1 2H MET 1 4.984 16.662 -2.132 3 H3 MET 1 3H MET 1 3.608 17.483 -1.605 4 HA MET 1 HA MET 1 4.317 14.708 -0.826 5 HB2 MET 1 2HB MET 1 4.538 17.282 0.789 6 HB3 MET 1 1HB MET 1 4.859 15.668 1.412 7 HG2 MET 1 2HG MET 1 6.949 16.763 0.980 8 HG3 MET 1 1HG MET 1 6.744 15.475 -0.206 9 HE1 MET 1 3HE MET 1 6.268 19.984 -1.190 10 HE2 MET 1 1HE MET 1 6.703 19.376 0.409 11 HE3 MET 1 2HE MET 1 5.074 19.121 -0.224 12 H ASP 2 H ASP 2 1.895 15.520 -1.936 13 HA ASP 2 HA ASP 2 -0.026 16.413 0.052 14 HB2 ASP 2 2HB ASP 2 -0.347 15.719 -2.910 15 HB3 ASP 2 1HB ASP 2 -1.569 16.501 -1.902 16 H GLY 3 H GLY 3 1.215 13.449 -0.842 17 HA2 GLY 3 2HA GLY 3 0.584 11.362 0.046 18 HA3 GLY 3 1HA GLY 3 -1.056 11.951 0.284 19 H GLU 4 H GLU 4 -1.647 12.950 -2.223 20 HA GLU 4 HA GLU 4 -2.495 10.549 -3.504 21 HB2 GLU 4 2HB GLU 4 -2.747 13.450 -4.295 22 HB3 GLU 4 1HB GLU 4 -3.481 12.145 -5.212 23 HG2 GLU 4 2HG GLU 4 -4.208 11.888 -2.393 24 HG3 GLU 4 1HG GLU 4 -4.573 13.512 -2.970 25 H GLU 5 H GLU 5 -0.308 13.117 -4.642 26 HA GLU 5 HA GLU 5 0.550 11.744 -6.981 27 HB2 GLU 5 2HB GLU 5 2.631 13.409 -6.636 28 HB3 GLU 5 1HB GLU 5 1.070 13.947 -7.234 29 HG2 GLU 5 2HG GLU 5 1.884 15.534 -5.628 30 HG3 GLU 5 1HG GLU 5 0.467 14.725 -4.971 31 H VAL 6 H VAL 6 1.393 11.304 -3.669 32 HA VAL 6 HA VAL 6 3.761 9.729 -4.226 33 HB VAL 6 HB VAL 6 2.208 10.193 -1.659 34 HG11 VAL 6 1HG1 VAL 6 4.799 8.661 -1.995 35 HG12 VAL 6 2HG1 VAL 6 3.240 7.971 -1.542 36 HG13 VAL 6 3HG1 VAL 6 4.056 9.090 -0.450 37 HG21 VAL 6 3HG2 VAL 6 4.179 11.505 -0.953 38 HG22 VAL 6 1HG2 VAL 6 3.446 12.170 -2.414 39 HG23 VAL 6 2HG2 VAL 6 4.927 11.216 -2.527 40 H LYS 7 H LYS 7 0.319 9.157 -3.593 41 HA LYS 7 HA LYS 7 0.533 6.396 -2.951 42 HB2 LYS 7 2HB LYS 7 -1.820 8.121 -3.749 43 HB3 LYS 7 1HB LYS 7 -2.005 6.381 -3.522 44 HG2 LYS 7 2HG LYS 7 -1.237 6.577 -1.194 45 HG3 LYS 7 1HG LYS 7 -0.953 8.302 -1.407 46 HD2 LYS 7 2HD LYS 7 -3.634 6.882 -1.448 47 HD3 LYS 7 1HD LYS 7 -3.030 7.960 -0.195 48 HE2 LYS 7 2HE LYS 7 -3.060 9.825 -1.814 49 HE3 LYS 7 1HE LYS 7 -3.735 8.744 -3.033 50 HZ1 LYS 7 3HZ LYS 7 -5.658 8.413 -1.597 51 HZ2 LYS 7 1HZ LYS 7 -5.447 10.048 -1.978 52 HZ3 LYS 7 2HZ LYS 7 -5.012 9.468 -0.451 53 H GLU 8 H GLU 8 0.040 8.078 -5.989 54 HA GLU 8 HA GLU 8 -0.372 5.804 -7.618 55 HB2 GLU 8 2HB GLU 8 0.350 7.304 -9.490 56 HB3 GLU 8 1HB GLU 8 -0.895 7.992 -8.452 57 HG2 GLU 8 2HG GLU 8 0.814 9.326 -7.274 58 HG3 GLU 8 1HG GLU 8 2.058 8.665 -8.339 59 H LYS 9 H LYS 9 2.601 7.353 -6.422 60 HA LYS 9 HA LYS 9 4.482 5.893 -7.968 61 HB2 LYS 9 2HB LYS 9 4.909 6.990 -5.167 62 HB3 LYS 9 1HB LYS 9 6.158 6.532 -6.316 63 HG2 LYS 9 2HG LYS 9 5.401 8.378 -7.805 64 HG3 LYS 9 1HG LYS 9 4.264 8.878 -6.546 65 HD2 LYS 9 2HD LYS 9 7.298 8.819 -6.383 66 HD3 LYS 9 1HD LYS 9 6.261 10.241 -6.362 67 HE2 LYS 9 2HE LYS 9 5.377 9.588 -4.153 68 HE3 LYS 9 1HE LYS 9 6.348 8.115 -4.184 69 HZ1 LYS 9 3HZ LYS 9 8.345 9.449 -4.151 70 HZ2 LYS 9 1HZ LYS 9 7.357 9.855 -2.842 71 HZ3 LYS 9 2HZ LYS 9 7.448 10.877 -4.190 72 H ILE 10 H ILE 10 2.756 5.191 -4.994 73 HA ILE 10 HA ILE 10 4.215 3.008 -4.014 74 HB ILE 10 HB ILE 10 1.178 3.189 -3.898 75 HG12 ILE 10 2HG1 ILE 10 2.034 5.344 -3.122 76 HG13 ILE 10 1HG1 ILE 10 1.396 4.430 -1.770 77 HG21 ILE 10 1HG2 ILE 10 3.165 1.883 -2.009 78 HG22 ILE 10 2HG2 ILE 10 2.078 1.056 -3.125 79 HG23 ILE 10 3HG2 ILE 10 1.414 1.964 -1.769 80 HD11 ILE 10 3HD1 ILE 10 3.698 3.876 -1.100 81 HD12 ILE 10 1HD1 ILE 10 3.391 5.613 -1.146 82 HD13 ILE 10 2HD1 ILE 10 4.293 4.847 -2.451 83 H ARG 11 H ARG 11 1.553 3.167 -6.362 84 HA ARG 11 HA ARG 11 1.240 0.445 -6.960 85 HB2 ARG 11 2HB ARG 11 0.748 2.911 -8.666 86 HB3 ARG 11 1HB ARG 11 0.345 1.284 -9.210 87 HG2 ARG 11 2HG ARG 11 -1.168 1.020 -7.276 88 HG3 ARG 11 1HG ARG 11 -0.805 2.677 -6.780 89 HD2 ARG 11 2HD ARG 11 -2.064 1.871 -9.426 90 HD3 ARG 11 1HD ARG 11 -2.943 2.504 -8.031 91 HE ARG 11 HE ARG 11 -0.817 4.228 -8.985 92 HH11 ARG 11 1HH1 ARG 11 -4.208 3.422 -9.385 93 HH12 ARG 11 2HH1 ARG 11 -4.621 4.962 -10.061 94 HH21 ARG 11 1HH2 ARG 11 -1.372 6.225 -9.944 95 HH22 ARG 11 2HH2 ARG 11 -3.018 6.543 -10.377 96 H ARG 12 H ARG 12 3.514 2.791 -8.340 97 HA ARG 12 HA ARG 12 4.561 1.162 -10.404 98 HB2 ARG 12 2HB ARG 12 5.539 3.632 -8.975 99 HB3 ARG 12 1HB ARG 12 6.686 2.746 -9.966 100 HG2 ARG 12 2HG ARG 12 5.609 4.638 -11.178 101 HG3 ARG 12 1HG ARG 12 5.356 3.070 -11.947 102 HD2 ARG 12 2HD ARG 12 3.105 2.944 -10.989 103 HD3 ARG 12 1HD ARG 12 3.350 4.489 -10.178 104 HE ARG 12 HE ARG 12 3.012 5.591 -12.159 105 HH11 ARG 12 1HH1 ARG 12 3.165 2.149 -12.828 106 HH12 ARG 12 2HH1 ARG 12 2.542 2.314 -14.439 107 HH21 ARG 12 1HH2 ARG 12 2.110 5.771 -14.210 108 HH22 ARG 12 2HH2 ARG 12 1.942 4.374 -15.222 109 H TYR 13 H TYR 13 5.650 1.758 -7.116 110 HA TYR 13 HA TYR 13 7.789 -0.075 -7.025 111 HB2 TYR 13 2HB TYR 13 7.558 1.693 -5.360 112 HB3 TYR 13 1HB TYR 13 6.023 1.032 -4.806 113 HD1 TYR 13 HD1 TYR 13 9.660 0.134 -5.113 114 HD2 TYR 13 HD2 TYR 13 6.008 -0.506 -2.980 115 HE1 TYR 13 HE1 TYR 13 10.855 -1.247 -3.487 116 HE2 TYR 13 HE2 TYR 13 7.225 -1.879 -1.340 117 HH TYR 13 HH TYR 13 9.420 -3.315 -1.464 118 H ILE 14 H ILE 14 4.315 -0.511 -6.507 119 HA ILE 14 HA ILE 14 4.360 -3.054 -5.271 120 HB ILE 14 HB ILE 14 2.171 -1.623 -6.826 121 HG12 ILE 14 2HG1 ILE 14 2.382 -2.238 -3.843 122 HG13 ILE 14 1HG1 ILE 14 2.898 -0.718 -4.556 123 HG21 ILE 14 1HG2 ILE 14 1.911 -4.258 -5.327 124 HG22 ILE 14 2HG2 ILE 14 1.752 -4.038 -7.070 125 HG23 ILE 14 3HG2 ILE 14 0.565 -3.324 -5.979 126 HD11 ILE 14 3HD1 ILE 14 0.093 -1.809 -4.510 127 HD12 ILE 14 1HD1 ILE 14 0.592 -0.303 -5.287 128 HD13 ILE 14 2HD1 ILE 14 0.740 -0.487 -3.540 129 H MET 15 H MET 15 4.130 -2.072 -8.674 130 HA MET 15 HA MET 15 3.832 -4.760 -9.649 131 HB2 MET 15 2HB MET 15 4.739 -2.256 -11.134 132 HB3 MET 15 1HB MET 15 4.210 -3.766 -11.874 133 HG2 MET 15 2HG MET 15 2.556 -1.813 -10.286 134 HG3 MET 15 1HG MET 15 2.393 -2.231 -11.987 135 HE1 MET 15 3HE MET 15 1.346 -4.532 -12.849 136 HE2 MET 15 1HE MET 15 0.886 -5.854 -11.779 137 HE3 MET 15 2HE MET 15 2.585 -5.424 -11.963 138 H GLU 16 H GLU 16 6.629 -2.619 -9.157 139 HA GLU 16 HA GLU 16 8.504 -4.257 -10.577 140 HB2 GLU 16 2HB GLU 16 8.939 -2.012 -8.585 141 HB3 GLU 16 1HB GLU 16 10.204 -2.730 -9.575 142 HG2 GLU 16 2HG GLU 16 7.777 -1.232 -10.608 143 HG3 GLU 16 1HG GLU 16 9.415 -0.600 -10.492 144 H ASP 17 H ASP 17 7.470 -4.104 -7.227 145 HA ASP 17 HA ASP 17 9.570 -6.042 -6.426 146 HB2 ASP 17 2HB ASP 17 9.723 -3.881 -5.236 147 HB3 ASP 17 1HB ASP 17 8.047 -4.027 -4.723 148 H LEU 18 H LEU 18 6.266 -5.097 -5.515 149 HA LEU 18 HA LEU 18 5.717 -7.412 -3.999 150 HB2 LEU 18 2HB LEU 18 3.883 -5.298 -5.168 151 HB3 LEU 18 1HB LEU 18 3.297 -6.580 -4.139 152 HG LEU 18 HG LEU 18 3.516 -4.526 -2.858 153 HD11 LEU 18 1HD1 LEU 18 3.935 -6.600 -1.667 154 HD12 LEU 18 2HD1 LEU 18 4.878 -5.275 -0.995 155 HD13 LEU 18 3HD1 LEU 18 5.662 -6.475 -2.024 156 HD21 LEU 18 3HD2 LEU 18 6.478 -4.482 -3.496 157 HD22 LEU 18 1HD2 LEU 18 5.627 -3.399 -2.388 158 HD23 LEU 18 2HD2 LEU 18 5.272 -3.356 -4.107 159 H ILE 19 H ILE 19 4.942 -6.653 -7.429 160 HA ILE 19 HA ILE 19 4.014 -9.393 -7.874 161 HB ILE 19 HB ILE 19 4.361 -7.116 -9.872 162 HG12 ILE 19 2HG1 ILE 19 1.841 -7.363 -10.136 163 HG13 ILE 19 1HG1 ILE 19 1.864 -8.430 -8.751 164 HG21 ILE 19 1HG2 ILE 19 3.336 -9.930 -10.397 165 HG22 ILE 19 2HG2 ILE 19 4.848 -9.244 -10.995 166 HG23 ILE 19 3HG2 ILE 19 3.309 -8.598 -11.562 167 HD11 ILE 19 3HD1 ILE 19 2.621 -6.611 -7.349 168 HD12 ILE 19 1HD1 ILE 19 1.120 -6.215 -8.184 169 HD13 ILE 19 2HD1 ILE 19 2.646 -5.542 -8.752 170 H GLY 20 H GLY 20 6.666 -7.268 -9.016 171 HA2 GLY 20 2HA GLY 20 8.978 -8.121 -8.884 172 HA3 GLY 20 1HA GLY 20 8.374 -9.674 -9.457 173 HA PRO 21 HA PRO 21 10.036 -7.359 -13.164 174 HB2 PRO 21 2HB PRO 21 11.246 -9.496 -14.378 175 HB3 PRO 21 1HB PRO 21 12.010 -8.616 -13.042 176 HG2 PRO 21 2HG PRO 21 10.488 -11.199 -12.949 177 HG3 PRO 21 1HG PRO 21 12.038 -10.775 -12.186 178 HD2 PRO 21 2HD PRO 21 9.704 -10.728 -10.800 179 HD3 PRO 21 1HD PRO 21 11.031 -9.598 -10.454 180 H SER 22 H SER 22 7.896 -10.045 -12.768 181 HA SER 22 HA SER 22 6.906 -10.009 -15.543 182 HB2 SER 22 2HB SER 22 6.150 -11.731 -13.150 183 HB3 SER 22 1HB SER 22 5.560 -11.953 -14.797 184 HG SER 22 HG SER 22 7.394 -13.297 -14.132 185 H ALA 23 H ALA 23 6.569 -7.620 -14.209 186 HA ALA 23 HA ALA 23 4.220 -7.321 -12.672 187 HB1 ALA 23 3HB ALA 23 6.071 -5.764 -12.534 188 HB2 ALA 23 1HB ALA 23 4.594 -4.914 -12.990 189 HB3 ALA 23 2HB ALA 23 5.821 -5.262 -14.211 190 H LYS 24 H LYS 24 2.306 -7.916 -13.535 191 HA LYS 24 HA LYS 24 1.534 -7.452 -16.256 192 HB2 LYS 24 2HB LYS 24 -0.072 -8.406 -13.874 193 HB3 LYS 24 1HB LYS 24 -0.683 -8.341 -15.526 194 HG2 LYS 24 2HG LYS 24 1.152 -9.926 -16.203 195 HG3 LYS 24 1HG LYS 24 1.599 -10.056 -14.497 196 HD2 LYS 24 2HD LYS 24 0.192 -11.935 -15.137 197 HD3 LYS 24 1HD LYS 24 -0.658 -10.909 -13.981 198 HE2 LYS 24 2HE LYS 24 -1.761 -9.810 -16.042 199 HE3 LYS 24 1HE LYS 24 -1.134 -11.178 -16.959 200 HZ1 LYS 24 3HZ LYS 24 -2.382 -12.659 -15.493 201 HZ2 LYS 24 1HZ LYS 24 -3.405 -11.549 -16.254 202 HZ3 LYS 24 2HZ LYS 24 -2.977 -11.328 -14.637 203 H GLU 25 H GLU 25 1.909 -5.225 -16.326 204 HA GLU 25 HA GLU 25 0.892 -3.109 -14.859 205 HB2 GLU 25 2HB GLU 25 1.322 -1.780 -16.947 206 HB3 GLU 25 1HB GLU 25 2.636 -2.872 -16.539 207 HG2 GLU 25 2HG GLU 25 1.749 -4.527 -18.193 208 HG3 GLU 25 1HG GLU 25 0.524 -3.346 -18.661 209 H ASP 26 H ASP 26 -0.730 -5.126 -17.095 210 HA ASP 26 HA ASP 26 -2.751 -3.519 -18.148 211 HB2 ASP 26 2HB ASP 26 -3.065 -6.488 -17.547 212 HB3 ASP 26 1HB ASP 26 -3.810 -5.569 -18.851 213 H GLU 27 H GLU 27 -2.543 -5.507 -15.296 214 HA GLU 27 HA GLU 27 -5.321 -5.072 -14.471 215 HB2 GLU 27 2HB GLU 27 -3.141 -6.774 -13.211 216 HB3 GLU 27 1HB GLU 27 -4.859 -6.833 -12.848 217 HG2 GLU 27 2HG GLU 27 -5.301 -7.601 -15.168 218 HG3 GLU 27 1HG GLU 27 -3.566 -7.596 -15.476 219 H LEU 28 H LEU 28 -2.408 -3.491 -14.002 220 HA LEU 28 HA LEU 28 -2.515 -2.879 -11.233 221 HB2 LEU 28 2HB LEU 28 -0.445 -2.767 -12.587 222 HB3 LEU 28 1HB LEU 28 -1.091 -1.419 -13.491 223 HG LEU 28 HG LEU 28 0.658 -0.961 -11.614 224 HD11 LEU 28 1HD1 LEU 28 -1.856 0.722 -11.623 225 HD12 LEU 28 2HD1 LEU 28 -0.508 0.867 -12.750 226 HD13 LEU 28 3HD1 LEU 28 -0.267 1.225 -11.042 227 HD21 LEU 28 3HD2 LEU 28 -0.173 -0.634 -9.344 228 HD22 LEU 28 1HD2 LEU 28 -0.416 -2.310 -9.826 229 HD23 LEU 28 2HD2 LEU 28 -1.782 -1.188 -9.808 230 H ASP 29 H ASP 29 -3.727 -1.472 -10.196 231 HA ASP 29 HA ASP 29 -4.574 1.066 -11.187 232 HB2 ASP 29 2HB ASP 29 -6.261 -0.689 -12.195 233 HB3 ASP 29 1HB ASP 29 -6.868 -0.833 -10.552 234 H ASP 30 H ASP 30 -5.996 2.136 -9.471 235 HA ASP 30 HA ASP 30 -4.897 1.597 -6.849 236 HB2 ASP 30 2HB ASP 30 -6.199 3.672 -6.190 237 HB3 ASP 30 1HB ASP 30 -4.992 3.912 -7.440 238 H GLN 31 H GLN 31 -8.013 1.422 -8.457 239 HA GLN 31 HA GLN 31 -9.473 0.501 -6.128 240 HB2 GLN 31 2HB GLN 31 -10.314 0.570 -9.061 241 HB3 GLN 31 1HB GLN 31 -11.392 0.344 -7.684 242 HG2 GLN 31 2HG GLN 31 -10.812 2.614 -6.882 243 HG3 GLN 31 1HG GLN 31 -9.777 2.837 -8.294 244 HE21 GLN 31 1HE2 GLN 31 -12.065 4.407 -7.454 245 HE22 GLN 31 2HE2 GLN 31 -13.206 4.367 -8.753 246 H THR 32 H THR 32 -7.422 -1.029 -8.430 247 HA THR 32 HA THR 32 -8.605 -3.630 -8.440 248 HB THR 32 HB THR 32 -5.724 -2.802 -8.886 249 HG1 THR 32 HG1 THR 32 -6.330 -3.341 -11.075 250 HG21 THR 32 3HG2 THR 32 -5.709 -5.134 -8.099 251 HG22 THR 32 1HG2 THR 32 -5.382 -5.085 -9.835 252 HG23 THR 32 2HG2 THR 32 -6.981 -5.554 -9.249 253 HA PRO 33 HA PRO 33 -7.632 -4.398 -4.088 254 HB2 PRO 33 2HB PRO 33 -8.963 -6.739 -3.816 255 HB3 PRO 33 1HB PRO 33 -9.814 -5.194 -4.007 256 HG2 PRO 33 2HG PRO 33 -9.241 -7.278 -6.082 257 HG3 PRO 33 1HG PRO 33 -10.753 -6.405 -5.754 258 HD2 PRO 33 2HD PRO 33 -9.026 -5.674 -7.734 259 HD3 PRO 33 1HD PRO 33 -10.066 -4.511 -6.881 260 H LEU 34 H LEU 34 -5.583 -4.779 -3.785 261 HA LEU 34 HA LEU 34 -3.935 -6.621 -5.163 262 HB2 LEU 34 2HB LEU 34 -3.354 -5.157 -2.568 263 HB3 LEU 34 1HB LEU 34 -2.176 -5.792 -3.705 264 HG LEU 34 HG LEU 34 -4.097 -3.518 -4.348 265 HD11 LEU 34 1HD1 LEU 34 -1.181 -3.341 -3.556 266 HD12 LEU 34 2HD1 LEU 34 -2.561 -2.803 -2.593 267 HD13 LEU 34 3HD1 LEU 34 -2.189 -2.003 -4.118 268 HD21 LEU 34 3HD2 LEU 34 -2.598 -3.116 -6.292 269 HD22 LEU 34 1HD2 LEU 34 -3.375 -4.697 -6.366 270 HD23 LEU 34 2HD2 LEU 34 -1.684 -4.568 -5.874 271 H LEU 35 H LEU 35 -4.959 -6.513 -1.717 272 HA LEU 35 HA LEU 35 -3.923 -8.948 -0.857 273 HB2 LEU 35 2HB LEU 35 -5.649 -6.902 0.189 274 HB3 LEU 35 1HB LEU 35 -6.421 -8.431 0.527 275 HG LEU 35 HG LEU 35 -5.046 -7.677 2.404 276 HD11 LEU 35 1HD1 LEU 35 -5.296 -10.096 2.119 277 HD12 LEU 35 2HD1 LEU 35 -3.735 -9.689 2.822 278 HD13 LEU 35 3HD1 LEU 35 -3.839 -10.142 1.118 279 HD21 LEU 35 3HD2 LEU 35 -2.630 -7.513 2.288 280 HD22 LEU 35 1HD2 LEU 35 -3.375 -6.384 1.162 281 HD23 LEU 35 2HD2 LEU 35 -2.660 -7.881 0.564 282 H GLU 36 H GLU 36 -6.989 -8.205 -2.379 283 HA GLU 36 HA GLU 36 -8.228 -10.732 -1.981 284 HB2 GLU 36 2HB GLU 36 -9.348 -8.457 -2.455 285 HB3 GLU 36 1HB GLU 36 -8.925 -8.725 -4.139 286 HG2 GLU 36 2HG GLU 36 -11.206 -9.363 -3.852 287 HG3 GLU 36 1HG GLU 36 -10.274 -10.840 -4.087 288 H TRP 37 H TRP 37 -6.116 -9.387 -4.475 289 HA TRP 37 HA TRP 37 -6.561 -11.709 -6.278 290 HB2 TRP 37 2HB TRP 37 -5.114 -9.063 -6.671 291 HB3 TRP 37 1HB TRP 37 -5.043 -10.362 -7.850 292 HD1 TRP 37 HD1 TRP 37 -8.457 -9.741 -6.250 293 HE1 TRP 37 HE1 TRP 37 -10.001 -8.628 -7.972 294 HE3 TRP 37 HE3 TRP 37 -5.025 -8.777 -9.919 295 HZ2 TRP 37 HZ2 TRP 37 -9.806 -7.494 -10.545 296 HZ3 TRP 37 HZ3 TRP 37 -5.796 -7.680 -11.980 297 HH2 TRP 37 HH2 TRP 37 -8.132 -7.049 -12.290 298 H GLY 38 H GLY 38 -4.879 -11.399 -3.609 299 HA2 GLY 38 2HA GLY 38 -3.107 -12.521 -2.709 300 HA3 GLY 38 1HA GLY 38 -3.056 -13.482 -4.174 301 H ILE 39 H ILE 39 -2.706 -10.074 -4.501 302 HA ILE 39 HA ILE 39 -0.091 -10.204 -5.658 303 HB ILE 39 HB ILE 39 -1.896 -7.878 -4.846 304 HG12 ILE 39 2HG1 ILE 39 -1.289 -9.057 -7.595 305 HG13 ILE 39 1HG1 ILE 39 -2.786 -9.266 -6.701 306 HG21 ILE 39 1HG2 ILE 39 -0.455 -6.366 -6.152 307 HG22 ILE 39 2HG2 ILE 39 0.685 -7.687 -6.412 308 HG23 ILE 39 3HG2 ILE 39 0.406 -7.074 -4.783 309 HD11 ILE 39 3HD1 ILE 39 -3.204 -6.833 -6.923 310 HD12 ILE 39 1HD1 ILE 39 -3.089 -7.673 -8.471 311 HD13 ILE 39 2HD1 ILE 39 -1.735 -6.704 -7.894 312 H LEU 40 H LEU 40 -1.470 -9.254 -2.580 313 HA LEU 40 HA LEU 40 1.215 -8.989 -1.373 314 HB2 LEU 40 2HB LEU 40 -1.385 -7.906 -0.265 315 HB3 LEU 40 1HB LEU 40 0.243 -7.531 0.271 316 HG LEU 40 HG LEU 40 -1.008 -6.670 -2.359 317 HD11 LEU 40 1HD1 LEU 40 -0.917 -4.384 -1.396 318 HD12 LEU 40 2HD1 LEU 40 -0.447 -5.078 0.159 319 HD13 LEU 40 3HD1 LEU 40 -2.026 -5.460 -0.547 320 HD21 LEU 40 3HD2 LEU 40 1.712 -6.040 -1.196 321 HD22 LEU 40 1HD2 LEU 40 1.005 -5.272 -2.624 322 HD23 LEU 40 2HD2 LEU 40 1.364 -6.995 -2.645 323 H ASN 41 H ASN 41 1.733 -10.744 -0.165 324 HA ASN 41 HA ASN 41 -0.186 -11.790 1.777 325 HB2 ASN 41 2HB ASN 41 -0.527 -13.284 -0.170 326 HB3 ASN 41 1HB ASN 41 1.191 -13.632 -0.234 327 HD21 ASN 41 1HD2 ASN 41 -1.787 -14.148 1.523 328 HD22 ASN 41 2HD2 ASN 41 -1.243 -15.491 2.460 329 H SER 42 H SER 42 1.239 -10.596 3.140 330 HA SER 42 HA SER 42 2.594 -10.586 4.903 331 HB2 SER 42 3HB SER 42 1.679 -12.889 5.166 332 HB3 SER 42 2HB SER 42 3.115 -13.519 4.371 333 H MET 43 H MET 43 4.494 -12.824 2.834 334 HA MET 43 HA MET 43 7.006 -12.026 3.680 335 HB2 MET 43 2HB MET 43 6.287 -13.103 0.926 336 HB3 MET 43 1HB MET 43 7.882 -13.146 1.670 337 HG2 MET 43 2HG MET 43 5.424 -14.662 2.572 338 HG3 MET 43 1HG MET 43 6.863 -15.325 1.808 339 HE1 MET 43 3HE MET 43 5.093 -15.032 5.110 340 HE2 MET 43 1HE MET 43 5.600 -13.342 5.028 341 HE3 MET 43 2HE MET 43 6.287 -14.422 6.251 342 H ASN 44 H ASN 44 5.089 -10.732 1.059 343 HA ASN 44 HA ASN 44 7.147 -8.754 0.358 344 HB2 ASN 44 2HB ASN 44 5.665 -8.248 -1.577 345 HB3 ASN 44 1HB ASN 44 6.208 -9.913 -1.528 346 HD21 ASN 44 1HD2 ASN 44 4.477 -10.400 -2.986 347 HD22 ASN 44 2HD2 ASN 44 2.853 -10.569 -2.426 348 H ILE 45 H ILE 45 4.255 -9.010 2.193 349 HA ILE 45 HA ILE 45 3.126 -6.445 1.807 350 HB ILE 45 HB ILE 45 2.336 -8.796 3.067 351 HG12 ILE 45 2HG1 ILE 45 0.883 -6.155 3.414 352 HG13 ILE 45 1HG1 ILE 45 0.897 -7.068 1.908 353 HG21 ILE 45 1HG2 ILE 45 1.714 -8.336 5.387 354 HG22 ILE 45 2HG2 ILE 45 2.485 -6.751 5.301 355 HG23 ILE 45 3HG2 ILE 45 3.468 -8.213 5.195 356 HD11 ILE 45 3HD1 ILE 45 -0.149 -8.963 3.080 357 HD12 ILE 45 1HD1 ILE 45 -1.131 -7.495 3.124 358 HD13 ILE 45 2HD1 ILE 45 -0.217 -7.988 4.553 359 H VAL 46 H VAL 46 5.717 -7.532 3.832 360 HA VAL 46 HA VAL 46 5.754 -5.468 5.775 361 HB VAL 46 HB VAL 46 8.102 -7.123 4.762 362 HG11 VAL 46 1HG1 VAL 46 8.825 -5.190 6.104 363 HG12 VAL 46 2HG1 VAL 46 9.101 -6.695 6.983 364 HG13 VAL 46 3HG1 VAL 46 7.726 -5.670 7.403 365 HG21 VAL 46 3HG2 VAL 46 7.614 -8.680 6.612 366 HG22 VAL 46 1HG2 VAL 46 6.249 -8.580 5.498 367 HG23 VAL 46 2HG2 VAL 46 6.187 -7.734 7.046 368 H LYS 47 H LYS 47 6.747 -5.594 2.462 369 HA LYS 47 HA LYS 47 8.562 -3.429 2.391 370 HB2 LYS 47 2HB LYS 47 6.876 -4.729 0.248 371 HB3 LYS 47 1HB LYS 47 7.829 -3.291 -0.104 372 HG2 LYS 47 2HG LYS 47 9.115 -5.164 -0.793 373 HG3 LYS 47 1HG LYS 47 9.867 -4.516 0.662 374 HD2 LYS 47 2HD LYS 47 9.082 -6.324 2.000 375 HD3 LYS 47 1HD LYS 47 7.966 -6.874 0.747 376 HE2 LYS 47 2HE LYS 47 10.992 -6.962 0.639 377 HE3 LYS 47 1HE LYS 47 9.904 -8.340 0.825 378 HZ1 LYS 47 3HZ LYS 47 8.970 -7.788 -1.369 379 HZ2 LYS 47 1HZ LYS 47 10.609 -8.189 -1.445 380 HZ3 LYS 47 2HZ LYS 47 10.123 -6.573 -1.555 381 H LEU 48 H LEU 48 5.018 -3.568 2.203 382 HA LEU 48 HA LEU 48 4.580 -0.836 1.533 383 HB2 LEU 48 2HB LEU 48 2.809 -2.785 3.064 384 HB3 LEU 48 1HB LEU 48 2.311 -1.146 2.695 385 HG LEU 48 HG LEU 48 1.269 -2.625 1.107 386 HD11 LEU 48 1HD1 LEU 48 1.939 -0.453 0.186 387 HD12 LEU 48 2HD1 LEU 48 2.017 -1.702 -1.052 388 HD13 LEU 48 3HD1 LEU 48 3.503 -1.115 -0.304 389 HD21 LEU 48 3HD2 LEU 48 2.775 -4.554 1.239 390 HD22 LEU 48 1HD2 LEU 48 4.016 -3.668 0.346 391 HD23 LEU 48 2HD2 LEU 48 2.490 -4.089 -0.436 392 H MET 49 H MET 49 5.099 -2.501 4.590 393 HA MET 49 HA MET 49 4.428 -0.419 6.392 394 HB2 MET 49 2HB MET 49 6.500 -2.598 6.902 395 HB3 MET 49 1HB MET 49 5.585 -1.704 8.106 396 HG2 MET 49 2HG MET 49 3.539 -2.837 7.450 397 HG3 MET 49 1HG MET 49 4.394 -3.673 6.145 398 HE1 MET 49 3HE MET 49 3.915 -6.699 8.573 399 HE2 MET 49 1HE MET 49 3.980 -6.223 6.875 400 HE3 MET 49 2HE MET 49 2.785 -5.499 7.952 401 H VAL 50 H VAL 50 7.595 -1.546 5.187 402 HA VAL 50 HA VAL 50 9.096 0.515 6.501 403 HB VAL 50 HB VAL 50 10.038 -1.747 6.049 404 HG11 VAL 50 1HG1 VAL 50 9.144 -2.171 3.806 405 HG12 VAL 50 2HG1 VAL 50 10.900 -2.329 3.802 406 HG13 VAL 50 3HG1 VAL 50 10.149 -0.877 3.134 407 HG21 VAL 50 3HG2 VAL 50 11.592 0.100 6.531 408 HG22 VAL 50 1HG2 VAL 50 11.668 0.500 4.811 409 HG23 VAL 50 2HG2 VAL 50 12.313 -1.036 5.390 410 H TYR 51 H TYR 51 7.648 0.226 3.320 411 HA TYR 51 HA TYR 51 9.223 2.123 1.901 412 HB2 TYR 51 2HB TYR 51 7.511 0.504 0.856 413 HB3 TYR 51 1HB TYR 51 6.262 1.603 1.397 414 HD1 TYR 51 HD1 TYR 51 9.090 1.187 -0.958 415 HD2 TYR 51 HD2 TYR 51 5.915 3.780 0.263 416 HE1 TYR 51 HE1 TYR 51 9.358 2.500 -3.018 417 HE2 TYR 51 HE2 TYR 51 6.189 5.078 -1.794 418 HH TYR 51 HH TYR 51 7.981 5.531 -3.472 419 H ILE 52 H ILE 52 6.083 2.361 3.447 420 HA ILE 52 HA ILE 52 5.689 5.162 3.069 421 HB ILE 52 HB ILE 52 4.310 3.150 4.894 422 HG12 ILE 52 2HG1 ILE 52 3.380 4.188 2.181 423 HG13 ILE 52 1HG1 ILE 52 4.304 2.702 2.361 424 HG21 ILE 52 1HG2 ILE 52 3.909 5.470 5.634 425 HG22 ILE 52 2HG2 ILE 52 2.441 4.719 5.012 426 HG23 ILE 52 3HG2 ILE 52 3.327 5.877 4.021 427 HD11 ILE 52 3HD1 ILE 52 2.519 1.737 3.685 428 HD12 ILE 52 1HD1 ILE 52 1.942 2.272 2.107 429 HD13 ILE 52 2HD1 ILE 52 1.585 3.233 3.544 430 H ARG 53 H ARG 53 6.948 3.180 5.677 431 HA ARG 53 HA ARG 53 7.305 5.088 7.699 432 HB2 ARG 53 2HB ARG 53 7.620 2.626 7.960 433 HB3 ARG 53 1HB ARG 53 9.093 2.732 7.003 434 HG2 ARG 53 2HG ARG 53 10.134 4.142 8.731 435 HG3 ARG 53 1HG ARG 53 8.649 4.082 9.685 436 HD2 ARG 53 2HD ARG 53 8.906 1.584 9.812 437 HD3 ARG 53 1HD ARG 53 10.470 1.752 9.003 438 HE ARG 53 HE ARG 53 11.092 3.225 10.944 439 HH11 ARG 53 1HH1 ARG 53 8.733 0.656 11.336 440 HH12 ARG 53 2HH1 ARG 53 9.042 0.474 13.030 441 HH21 ARG 53 1HH2 ARG 53 11.471 3.015 13.155 442 HH22 ARG 53 2HH2 ARG 53 10.606 1.821 14.066 443 H ASP 54 H ASP 54 9.326 4.259 4.915 444 HA ASP 54 HA ASP 54 11.448 6.142 5.517 445 HB2 ASP 54 2HB ASP 54 11.871 3.998 4.301 446 HB3 ASP 54 1HB ASP 54 10.876 4.564 2.967 447 H GLU 55 H GLU 55 8.559 6.078 3.548 448 HA GLU 55 HA GLU 55 9.246 8.389 1.935 449 HB2 GLU 55 2HB GLU 55 8.102 6.578 0.830 450 HB3 GLU 55 1HB GLU 55 6.840 6.545 2.054 451 HG2 GLU 55 2HG GLU 55 6.036 7.490 -0.048 452 HG3 GLU 55 1HG GLU 55 5.954 8.659 1.263 453 H MET 56 H MET 56 6.301 7.691 3.814 454 HA MET 56 HA MET 56 5.908 10.572 4.264 455 HB2 MET 56 2HB MET 56 4.088 8.150 4.288 456 HB3 MET 56 1HB MET 56 3.565 9.666 5.006 457 HG2 MET 56 2HG MET 56 3.580 10.794 2.948 458 HG3 MET 56 1HG MET 56 4.570 9.566 2.162 459 HE1 MET 56 3HE MET 56 3.405 6.843 2.609 460 HE2 MET 56 1HE MET 56 3.636 7.454 0.969 461 HE3 MET 56 2HE MET 56 2.107 6.696 1.423 462 H GLY 57 H GLY 57 7.550 8.328 5.864 463 HA2 GLY 57 2HA GLY 57 8.469 8.332 7.955 464 HA3 GLY 57 1HA GLY 57 7.662 9.861 8.255 465 H VAL 58 H VAL 58 5.740 7.083 7.411 466 HA VAL 58 HA VAL 58 4.966 6.660 10.239 467 HB VAL 58 HB VAL 58 3.311 8.252 9.415 468 HG11 VAL 58 1HG1 VAL 58 2.772 6.374 7.092 469 HG12 VAL 58 2HG1 VAL 58 3.550 7.955 6.979 470 HG13 VAL 58 3HG1 VAL 58 1.855 7.834 7.462 471 HG21 VAL 58 3HG2 VAL 58 2.092 5.480 9.470 472 HG22 VAL 58 1HG2 VAL 58 1.226 6.994 9.751 473 HG23 VAL 58 2HG2 VAL 58 2.476 6.464 10.882 474 H SER 59 H SER 59 5.017 4.550 10.698 475 HA SER 59 HA SER 59 4.794 2.539 8.559 476 HB2 SER 59 2HB SER 59 6.854 2.511 10.008 477 HB3 SER 59 1HB SER 59 5.831 2.216 11.410 478 HG SER 59 HG SER 59 5.255 0.249 10.573 479 H ILE 60 H ILE 60 3.011 1.317 8.476 480 HA ILE 60 HA ILE 60 0.786 1.615 10.204 481 HB ILE 60 HB ILE 60 1.366 -0.566 8.151 482 HG12 ILE 60 2HG1 ILE 60 -0.167 2.053 8.050 483 HG13 ILE 60 1HG1 ILE 60 1.122 1.510 6.987 484 HG21 ILE 60 1HG2 ILE 60 -1.253 -0.019 9.608 485 HG22 ILE 60 2HG2 ILE 60 -0.208 -1.416 9.864 486 HG23 ILE 60 3HG2 ILE 60 -1.017 -1.201 8.316 487 HD11 ILE 60 3HD1 ILE 60 -1.040 1.531 5.889 488 HD12 ILE 60 1HD1 ILE 60 -1.678 0.405 7.090 489 HD13 ILE 60 2HD1 ILE 60 -0.391 -0.108 5.984 490 HA PRO 61 HA PRO 61 2.488 -0.976 13.523 491 HB2 PRO 61 2HB PRO 61 0.220 -0.947 15.138 492 HB3 PRO 61 1HB PRO 61 1.386 0.389 15.065 493 HG2 PRO 61 2HG PRO 61 -1.238 0.105 13.647 494 HG3 PRO 61 1HG PRO 61 -0.552 1.521 14.478 495 HD2 PRO 61 2HD PRO 61 -0.474 1.297 11.798 496 HD3 PRO 61 1HD PRO 61 0.861 2.050 12.700 497 H SER 62 H SER 62 2.043 -3.048 14.519 498 HA SER 62 HA SER 62 1.232 -5.000 12.656 499 HB2 SER 62 2HB SER 62 1.647 -6.592 14.609 500 HB3 SER 62 1HB SER 62 2.984 -5.514 14.215 501 HG SER 62 HG SER 62 1.519 -5.705 16.506 502 H THR 63 H THR 63 -0.544 -3.350 15.154 503 HA THR 63 HA THR 63 -2.780 -5.114 15.344 504 HB THR 63 HB THR 63 -2.296 -3.519 17.127 505 HG1 THR 63 HG1 THR 63 -4.379 -3.906 17.279 506 HG21 THR 63 3HG2 THR 63 -3.001 -1.309 15.166 507 HG22 THR 63 1HG2 THR 63 -1.387 -1.656 15.789 508 HG23 THR 63 2HG2 THR 63 -2.654 -1.099 16.885 509 H HIS 64 H HIS 64 -1.931 -2.508 13.154 510 HA HIS 64 HA HIS 64 -4.565 -2.450 11.841 511 HB2 HIS 64 2HB HIS 64 -2.137 -0.678 11.756 512 HB3 HIS 64 1HB HIS 64 -3.228 -0.671 10.377 513 HD1 HIS 64 HD1 HIS 64 -5.119 -1.114 13.490 514 HD2 HIS 64 HD2 HIS 64 -3.583 2.058 11.274 515 HE1 HIS 64 HE1 HIS 64 -6.354 0.922 14.273 516 HE2 HIS 64 HE2 HIS 64 -5.273 2.845 13.051 517 H ILE 65 H ILE 65 -1.893 -4.395 11.602 518 HA ILE 65 HA ILE 65 -1.876 -4.699 8.737 519 HB ILE 65 HB ILE 65 -0.844 -6.650 10.832 520 HG12 ILE 65 2HG1 ILE 65 0.367 -4.536 11.028 521 HG13 ILE 65 1HG1 ILE 65 1.418 -5.716 10.258 522 HG21 ILE 65 1HG2 ILE 65 -1.314 -7.716 8.647 523 HG22 ILE 65 2HG2 ILE 65 0.414 -7.667 8.971 524 HG23 ILE 65 3HG2 ILE 65 -0.299 -6.519 7.839 525 HD11 ILE 65 3HD1 ILE 65 1.630 -3.524 9.245 526 HD12 ILE 65 1HD1 ILE 65 -0.092 -3.511 8.861 527 HD13 ILE 65 2HD1 ILE 65 0.976 -4.683 8.083 528 H THR 66 H THR 66 -3.925 -5.008 8.086 529 HA THR 66 HA THR 66 -4.921 -7.697 8.329 530 HB THR 66 HB THR 66 -6.230 -6.852 10.120 531 HG1 THR 66 HG1 THR 66 -8.068 -7.528 9.303 532 HG21 THR 66 3HG2 THR 66 -7.544 -4.761 10.036 533 HG22 THR 66 1HG2 THR 66 -6.903 -4.414 8.432 534 HG23 THR 66 2HG2 THR 66 -5.819 -4.434 9.828 535 H GLY 67 H GLY 67 -6.212 -8.308 6.629 536 HA2 GLY 67 2HA GLY 67 -5.549 -7.273 4.133 537 HA3 GLY 67 1HA GLY 67 -6.817 -8.440 4.454 538 H LYS 68 H LYS 68 -8.193 -6.353 6.243 539 HA LYS 68 HA LYS 68 -9.826 -5.228 4.148 540 HB2 LYS 68 2HB LYS 68 -11.246 -4.356 5.975 541 HB3 LYS 68 1HB LYS 68 -10.928 -6.076 6.109 542 HG2 LYS 68 2HG LYS 68 -10.742 -5.383 8.323 543 HG3 LYS 68 1HG LYS 68 -9.062 -5.376 7.796 544 HD2 LYS 68 2HD LYS 68 -9.540 -3.384 9.150 545 HD3 LYS 68 1HD LYS 68 -9.167 -2.917 7.490 546 HE2 LYS 68 2HE LYS 68 -11.059 -1.625 8.366 547 HE3 LYS 68 1HE LYS 68 -11.567 -2.650 7.024 548 HZ1 LYS 68 3HZ LYS 68 -13.154 -2.718 8.813 549 HZ2 LYS 68 1HZ LYS 68 -11.976 -3.239 9.908 550 HZ3 LYS 68 2HZ LYS 68 -12.440 -4.235 8.626 551 H TYR 69 H TYR 69 -7.225 -4.020 6.127 552 HA TYR 69 HA TYR 69 -7.633 -1.267 5.233 553 HB2 TYR 69 2HB TYR 69 -5.633 -2.564 7.095 554 HB3 TYR 69 1HB TYR 69 -5.348 -0.943 6.469 555 HD1 TYR 69 HD2 TYR 69 -8.255 0.060 6.548 556 HD2 TYR 69 HD1 TYR 69 -5.904 -2.033 9.437 557 HE1 TYR 69 HE2 TYR 69 -9.579 1.066 8.345 558 HE2 TYR 69 HE1 TYR 69 -7.229 -1.016 11.242 559 HH TYR 69 HH TYR 69 -8.690 0.899 11.638 560 H PHE 70 H PHE 70 -5.873 -4.086 4.353 561 HA PHE 70 HA PHE 70 -4.062 -2.620 2.539 562 HB2 PHE 70 2HB PHE 70 -3.921 -5.345 3.855 563 HB3 PHE 70 1HB PHE 70 -2.922 -4.983 2.458 564 HD1 PHE 70 HD2 PHE 70 -3.629 -3.919 5.975 565 HD2 PHE 70 HD1 PHE 70 -0.882 -3.770 2.701 566 HE1 PHE 70 HE2 PHE 70 -1.918 -2.940 7.443 567 HE2 PHE 70 HE1 PHE 70 0.820 -2.793 4.182 568 HZ PHE 70 HZ PHE 70 0.307 -2.381 6.551 569 H LYS 71 H LYS 71 -7.045 -3.539 2.126 570 HA LYS 71 HA LYS 71 -7.288 -5.626 0.322 571 HB2 LYS 71 2HB LYS 71 -8.868 -3.027 0.255 572 HB3 LYS 71 1HB LYS 71 -9.323 -4.505 -0.587 573 HG2 LYS 71 2HG LYS 71 -9.587 -5.658 1.552 574 HG3 LYS 71 1HG LYS 71 -9.079 -4.203 2.404 575 HD2 LYS 71 2HD LYS 71 -11.591 -4.489 0.717 576 HD3 LYS 71 1HD LYS 71 -11.521 -4.493 2.476 577 HE2 LYS 71 2HE LYS 71 -12.174 -2.302 2.032 578 HE3 LYS 71 1HE LYS 71 -10.427 -2.122 2.176 579 HZ1 LYS 71 3HZ LYS 71 -10.349 -2.321 -0.301 580 HZ2 LYS 71 1HZ LYS 71 -11.122 -0.941 0.276 581 HZ3 LYS 71 2HZ LYS 71 -12.031 -2.234 -0.312 582 H ASP 72 H ASP 72 -6.624 -2.237 -0.424 583 HA ASP 72 HA ASP 72 -5.420 -2.797 -3.003 584 HB2 ASP 72 2HB ASP 72 -7.013 -1.344 -4.267 585 HB3 ASP 72 1HB ASP 72 -7.771 -2.804 -3.663 586 H LEU 73 H LEU 73 -5.220 -0.300 -4.070 587 HA LEU 73 HA LEU 73 -3.406 1.003 -2.294 588 HB2 LEU 73 2HB LEU 73 -3.098 1.218 -4.731 589 HB3 LEU 73 1HB LEU 73 -4.618 2.089 -4.854 590 HG LEU 73 HG LEU 73 -3.591 3.869 -3.303 591 HD11 LEU 73 1HD1 LEU 73 -1.766 2.588 -2.357 592 HD12 LEU 73 2HD1 LEU 73 -1.122 3.986 -3.214 593 HD13 LEU 73 3HD1 LEU 73 -1.030 2.385 -3.951 594 HD21 LEU 73 3HD2 LEU 73 -2.344 5.005 -5.102 595 HD22 LEU 73 1HD2 LEU 73 -3.865 4.331 -5.678 596 HD23 LEU 73 2HD2 LEU 73 -2.345 3.514 -6.042 597 H ASN 74 H ASN 74 -6.770 1.662 -3.221 598 HA ASN 74 HA ASN 74 -6.921 4.190 -1.845 599 HB2 ASN 74 2HB ASN 74 -9.145 2.381 -2.856 600 HB3 ASN 74 1HB ASN 74 -9.374 4.024 -2.261 601 HD21 ASN 74 1HD2 ASN 74 -9.955 2.858 -4.855 602 HD22 ASN 74 2HD2 ASN 74 -9.115 3.827 -6.012 603 H ALA 75 H ALA 75 -7.574 0.828 -0.943 604 HA ALA 75 HA ALA 75 -8.789 1.366 1.583 605 HB1 ALA 75 3HB ALA 75 -8.831 -0.871 0.561 606 HB2 ALA 75 1HB ALA 75 -8.142 -0.930 2.184 607 HB3 ALA 75 2HB ALA 75 -7.084 -1.011 0.769 608 H ILE 76 H ILE 76 -5.422 0.730 0.667 609 HA ILE 76 HA ILE 76 -4.169 1.297 3.143 610 HB ILE 76 HB ILE 76 -3.095 1.404 0.293 611 HG12 ILE 76 2HG1 ILE 76 -2.720 -0.680 2.486 612 HG13 ILE 76 1HG1 ILE 76 -3.828 -0.850 1.129 613 HG21 ILE 76 1HG2 ILE 76 -1.699 2.870 1.716 614 HG22 ILE 76 2HG2 ILE 76 -0.807 1.428 1.232 615 HG23 ILE 76 3HG2 ILE 76 -1.470 1.547 2.863 616 HD11 ILE 76 3HD1 ILE 76 -1.879 -0.822 -0.400 617 HD12 ILE 76 1HD1 ILE 76 -1.860 -2.155 0.758 618 HD13 ILE 76 2HD1 ILE 76 -0.820 -0.754 1.014 619 H SER 77 H SER 77 -5.340 3.361 0.564 620 HA SER 77 HA SER 77 -3.990 5.763 1.181 621 HB2 SER 77 2HB SER 77 -5.242 5.557 -0.922 622 HB3 SER 77 1HB SER 77 -6.749 5.336 -0.045 623 HG SER 77 HG SER 77 -6.347 7.501 0.799 624 H ARG 78 H ARG 78 -7.132 4.490 2.268 625 HA ARG 78 HA ARG 78 -7.785 6.774 3.868 626 HB2 ARG 78 2HB ARG 78 -8.885 3.953 4.169 627 HB3 ARG 78 1HB ARG 78 -9.637 5.448 4.730 628 HG2 ARG 78 2HG ARG 78 -9.306 4.468 1.895 629 HG3 ARG 78 1HG ARG 78 -10.796 4.835 2.756 630 HD2 ARG 78 2HD ARG 78 -8.710 6.899 1.932 631 HD3 ARG 78 1HD ARG 78 -10.187 6.537 1.030 632 HE ARG 78 HE ARG 78 -11.051 7.185 3.563 633 HH11 ARG 78 1HH1 ARG 78 -9.193 8.796 1.070 634 HH12 ARG 78 2HH1 ARG 78 -9.711 10.384 1.519 635 HH21 ARG 78 1HH2 ARG 78 -11.746 9.291 4.160 636 HH22 ARG 78 2HH2 ARG 78 -11.164 10.667 3.280 637 H THR 79 H THR 79 -6.159 3.748 4.467 638 HA THR 79 HA THR 79 -6.010 3.963 7.296 639 HB THR 79 HB THR 79 -4.183 2.336 5.489 640 HG1 THR 79 HG1 THR 79 -5.943 1.289 4.982 641 HG21 THR 79 3HG2 THR 79 -5.080 1.894 8.370 642 HG22 THR 79 1HG2 THR 79 -3.464 2.409 7.870 643 HG23 THR 79 2HG2 THR 79 -4.057 0.802 7.437 644 H VAL 80 H VAL 80 -3.840 4.913 4.663 645 HA VAL 80 HA VAL 80 -1.617 5.388 6.442 646 HB VAL 80 HB VAL 80 -1.334 4.536 4.068 647 HG11 VAL 80 1HG1 VAL 80 -2.912 6.017 2.891 648 HG12 VAL 80 2HG1 VAL 80 -1.296 6.110 2.194 649 HG13 VAL 80 3HG1 VAL 80 -1.874 7.409 3.237 650 HG21 VAL 80 3HG2 VAL 80 0.722 5.794 3.628 651 HG22 VAL 80 1HG2 VAL 80 0.550 5.417 5.343 652 HG23 VAL 80 2HG2 VAL 80 0.207 7.048 4.762 653 H GLU 81 H GLU 81 -4.116 7.306 4.865 654 HA GLU 81 HA GLU 81 -2.852 9.858 5.457 655 HB2 GLU 81 2HB GLU 81 -5.675 9.288 4.444 656 HB3 GLU 81 1HB GLU 81 -4.909 10.873 4.509 657 HG2 GLU 81 2HG GLU 81 -3.210 10.129 2.891 658 HG3 GLU 81 1HG GLU 81 -3.960 8.532 2.834 659 H GLN 82 H GLN 82 -5.364 7.778 6.865 660 HA GLN 82 HA GLN 82 -6.207 9.646 8.845 661 HB2 GLN 82 2HB GLN 82 -7.432 7.921 9.880 662 HB3 GLN 82 1HB GLN 82 -7.446 7.494 8.180 663 HG2 GLN 82 2HG GLN 82 -5.770 5.758 8.562 664 HG3 GLN 82 1HG GLN 82 -5.611 6.245 10.247 665 HE21 GLN 82 1HE2 GLN 82 -7.297 5.766 11.696 666 HE22 GLN 82 2HE2 GLN 82 -8.459 4.536 11.356 667 H LEU 83 H LEU 83 -3.648 7.182 8.741 668 HA LEU 83 HA LEU 83 -2.812 7.401 11.443 669 HB2 LEU 83 2HB LEU 83 -1.353 6.445 8.968 670 HB3 LEU 83 1HB LEU 83 -0.620 6.407 10.565 671 HG LEU 83 HG LEU 83 -3.139 4.890 9.779 672 HD11 LEU 83 1HD1 LEU 83 -1.147 3.999 8.659 673 HD12 LEU 83 2HD1 LEU 83 -1.728 2.882 9.893 674 HD13 LEU 83 3HD1 LEU 83 -0.308 3.886 10.210 675 HD21 LEU 83 3HD2 LEU 83 -1.516 4.822 12.350 676 HD22 LEU 83 1HD2 LEU 83 -2.868 3.754 11.958 677 HD23 LEU 83 2HD2 LEU 83 -3.143 5.480 12.164 678 H LYS 84 H LYS 84 -1.785 9.122 8.517 679 HA LYS 84 HA LYS 84 0.263 10.658 9.798 680 HB2 LYS 84 2HB LYS 84 -1.276 11.230 7.225 681 HB3 LYS 84 1HB LYS 84 0.116 12.160 7.778 682 HG2 LYS 84 2HG LYS 84 1.494 10.092 7.678 683 HG3 LYS 84 1HG LYS 84 0.103 9.227 7.038 684 HD2 LYS 84 2HD LYS 84 1.482 11.575 5.673 685 HD3 LYS 84 1HD LYS 84 1.730 9.879 5.279 686 HE2 LYS 84 2HE LYS 84 0.226 10.531 3.629 687 HE3 LYS 84 1HE LYS 84 -0.861 9.865 4.844 688 HZ1 LYS 84 3HZ LYS 84 -1.693 11.954 3.994 689 HZ2 LYS 84 1HZ LYS 84 -0.264 12.748 4.421 690 HZ3 LYS 84 2HZ LYS 84 -1.281 12.138 5.621 691 H ALA 85 H ALA 85 -3.204 11.030 9.552 692 HA ALA 85 HA ALA 85 -3.335 13.734 10.526 693 HB1 ALA 85 3HB ALA 85 -5.489 11.592 10.499 694 HB2 ALA 85 1HB ALA 85 -5.161 12.732 9.185 695 HB3 ALA 85 2HB ALA 85 -5.740 13.325 10.742 696 H GLU 86 H GLU 86 -3.436 10.498 11.974 697 HA GLU 86 HA GLU 86 -4.072 11.406 14.639 698 HB2 GLU 86 2HB GLU 86 -2.941 8.698 13.822 699 HB3 GLU 86 1HB GLU 86 -3.742 9.090 15.337 700 HG2 GLU 86 2HG GLU 86 -4.989 8.873 12.597 701 HG3 GLU 86 1HG GLU 86 -5.261 7.838 13.978 702 H SER 87 H SER 87 -1.177 10.654 12.830 703 HA SER 87 HA SER 87 0.666 10.856 15.046 704 HB2 SER 87 2HB SER 87 1.190 9.476 13.036 705 HB3 SER 87 1HB SER 87 1.224 10.932 12.045 706 HG SER 87 HG SER 87 3.007 11.643 13.268 707 H ALA 88 H ALA 88 -0.921 13.127 12.937 708 HA ALA 88 HA ALA 88 1.051 15.176 13.033 709 HB1 ALA 88 3HB ALA 88 -0.632 15.145 11.284 710 HB2 ALA 88 1HB ALA 88 -0.626 16.681 12.157 711 HB3 ALA 88 2HB ALA 88 -1.896 15.486 12.466 712 H LEU 89 H LEU 89 1.701 15.534 15.051 713 HA LEU 89 HA LEU 89 0.055 16.210 17.282 714 HB2 LEU 89 2HB LEU 89 2.078 16.681 18.453 715 HB3 LEU 89 1HB LEU 89 2.376 15.276 17.455 716 HG LEU 89 HG LEU 89 3.364 18.096 16.834 717 HD11 LEU 89 1HD1 LEU 89 4.460 17.163 18.820 718 HD12 LEU 89 2HD1 LEU 89 5.587 17.233 17.466 719 HD13 LEU 89 3HD1 LEU 89 4.858 15.692 17.925 720 HD21 LEU 89 3HD2 LEU 89 4.756 17.053 15.099 721 HD22 LEU 89 1HD2 LEU 89 3.045 16.738 14.783 722 HD23 LEU 89 2HD2 LEU 89 4.068 15.468 15.472 723 H GLU 90 H GLU 90 1.118 17.904 14.516 724 HA GLU 90 HA GLU 90 1.072 20.570 15.603 725 HB2 GLU 90 2HB GLU 90 1.174 19.647 12.689 726 HB3 GLU 90 1HB GLU 90 1.533 21.271 13.277 727 HG2 GLU 90 2HG GLU 90 3.471 20.391 14.533 728 HG3 GLU 90 1HG GLU 90 3.097 18.766 13.969 729 H281 4EM 101 2H28 PYA 142 2.560 -11.409 9.983 730 H283 4EM 101 3H28 PYA 142 2.516 -13.079 9.420 731 H303 4EM 101 3H30 PYA 142 0.298 -14.271 9.218 732 H301 4EM 101 1H30 PYA 142 -0.321 -12.959 8.201 733 H302 4EM 101 2H30 PYA 142 -1.187 -13.439 9.664 734 H312 4EM 101 2H31 PYA 142 -1.101 -11.075 10.498 735 H313 4EM 101 3H31 PYA 142 0.442 -10.233 10.610 736 H311 4EM 101 1H31 PYA 142 -0.241 -10.600 9.020 737 H32 4EM 101 H32 PYA 142 1.378 -13.742 11.444 738 H33 4EM 101 H33 PYA 142 1.611 -12.040 13.149 739 H36 4EM 101 H36 PYA 142 -0.727 -14.793 11.343 740 H373 4EM 101 3H37 PYA 142 -2.359 -15.719 12.667 741 H372 4EM 101 2H37 PYA 142 -2.438 -14.256 13.640 742 H382 4EM 101 2H38 PYA 142 -4.517 -14.658 12.363 743 H383 4EM 101 3H38 PYA 142 -3.600 -14.615 10.858 744 H41 4EM 101 H41 PYA 142 -4.835 -12.922 10.030 745 H423 4EM 101 3H42 PYA 142 -4.071 -10.215 10.780 746 H422 4EM 101 2H42 PYA 142 -5.787 -10.603 10.952 747 H433 4EM 101 3H43 PYA 142 -5.343 -9.560 8.778 748 H432 4EM 101 2H43 PYA 142 -5.864 -11.238 8.561 749 H44 4EM 101 H44 PYA 142 -3.546 -11.786 8.477 750 H49 4EM 101 H49 PYA 142 -1.354 -8.579 6.257 751 H51 4EM 101 H51 PYA 142 0.638 -10.108 5.496 752 H50 4EM 101 H50 PYA 142 0.023 -12.571 6.072 753 H48 4EM 101 H48 PYA 142 -2.291 -12.524 7.173 Start of MODEL 2 1 H1 MET 1 1H MET 1 5.449 10.802 0.891 2 H2 MET 1 2H MET 1 6.155 11.338 2.329 3 H3 MET 1 3H MET 1 7.126 11.001 0.986 4 HA MET 1 HA MET 1 6.850 13.361 1.327 5 HB2 MET 1 2HB MET 1 7.176 12.393 -0.966 6 HB3 MET 1 1HB MET 1 5.433 12.382 -1.188 7 HG2 MET 1 2HG MET 1 7.017 14.903 -0.650 8 HG3 MET 1 1HG MET 1 6.669 14.303 -2.273 9 HE1 MET 1 3HE MET 1 5.536 16.781 -2.781 10 HE2 MET 1 1HE MET 1 5.877 17.259 -1.121 11 HE3 MET 1 2HE MET 1 4.249 17.446 -1.773 12 H ASP 2 H ASP 2 3.735 11.907 0.290 13 HA ASP 2 HA ASP 2 2.230 13.774 1.986 14 HB2 ASP 2 2HB ASP 2 2.374 15.083 -0.013 15 HB3 ASP 2 1HB ASP 2 2.117 13.690 -1.055 16 H GLY 3 H GLY 3 0.997 11.858 -0.741 17 HA2 GLY 3 2HA GLY 3 0.010 9.631 0.555 18 HA3 GLY 3 1HA GLY 3 -1.170 10.919 0.816 19 H GLU 4 H GLU 4 -1.698 12.212 -1.191 20 HA GLU 4 HA GLU 4 -2.732 10.676 -3.312 21 HB2 GLU 4 2HB GLU 4 -1.971 13.615 -3.193 22 HB3 GLU 4 1HB GLU 4 -2.866 12.903 -4.532 23 HG2 GLU 4 2HG GLU 4 -3.819 12.849 -1.653 24 HG3 GLU 4 1HG GLU 4 -4.268 14.079 -2.819 25 H GLU 5 H GLU 5 0.265 12.473 -3.002 26 HA GLU 5 HA GLU 5 1.293 12.140 -5.609 27 HB2 GLU 5 2HB GLU 5 2.757 12.619 -2.993 28 HB3 GLU 5 1HB GLU 5 3.467 12.830 -4.590 29 HG2 GLU 5 2HG GLU 5 1.173 14.431 -3.411 30 HG3 GLU 5 1HG GLU 5 2.828 14.981 -3.646 31 H VAL 6 H VAL 6 1.478 10.079 -2.748 32 HA VAL 6 HA VAL 6 3.545 8.401 -3.904 33 HB VAL 6 HB VAL 6 3.491 9.012 -1.431 34 HG11 VAL 6 1HG1 VAL 6 1.348 6.864 -1.279 35 HG12 VAL 6 2HG1 VAL 6 1.110 8.582 -0.972 36 HG13 VAL 6 3HG1 VAL 6 2.145 7.637 0.090 37 HG21 VAL 6 3HG2 VAL 6 4.987 7.295 -2.295 38 HG22 VAL 6 1HG2 VAL 6 3.707 6.084 -2.185 39 HG23 VAL 6 2HG2 VAL 6 4.372 6.804 -0.719 40 H LYS 7 H LYS 7 0.086 8.436 -3.714 41 HA LYS 7 HA LYS 7 -0.703 5.818 -3.556 42 HB2 LYS 7 2HB LYS 7 -1.814 7.994 -5.372 43 HB3 LYS 7 1HB LYS 7 -2.619 6.444 -5.137 44 HG2 LYS 7 2HG LYS 7 -2.693 6.982 -2.653 45 HG3 LYS 7 1HG LYS 7 -2.134 8.599 -3.080 46 HD2 LYS 7 2HD LYS 7 -4.753 7.282 -3.814 47 HD3 LYS 7 1HD LYS 7 -4.494 8.761 -2.890 48 HE2 LYS 7 2HE LYS 7 -3.619 9.844 -4.964 49 HE3 LYS 7 1HE LYS 7 -4.035 8.382 -5.865 50 HZ1 LYS 7 3HZ LYS 7 -6.348 8.700 -5.157 51 HZ2 LYS 7 1HZ LYS 7 -5.767 9.993 -6.075 52 HZ3 LYS 7 2HZ LYS 7 -5.913 10.151 -4.399 53 H GLU 8 H GLU 8 0.173 7.403 -6.628 54 HA GLU 8 HA GLU 8 -0.020 5.106 -8.263 55 HB2 GLU 8 2HB GLU 8 1.320 6.426 -9.908 56 HB3 GLU 8 1HB GLU 8 -0.085 7.283 -9.282 57 HG2 GLU 8 2HG GLU 8 1.321 8.624 -7.808 58 HG3 GLU 8 1HG GLU 8 2.748 7.689 -8.261 59 H LYS 9 H LYS 9 2.680 6.437 -6.383 60 HA LYS 9 HA LYS 9 4.687 4.683 -7.448 61 HB2 LYS 9 2HB LYS 9 4.705 6.273 -4.852 62 HB3 LYS 9 1HB LYS 9 6.104 5.493 -5.585 63 HG2 LYS 9 2HG LYS 9 5.826 7.010 -7.574 64 HG3 LYS 9 1HG LYS 9 4.543 7.847 -6.695 65 HD2 LYS 9 2HD LYS 9 7.470 7.642 -5.895 66 HD3 LYS 9 1HD LYS 9 6.624 9.086 -6.444 67 HE2 LYS 9 2HE LYS 9 5.231 9.056 -4.415 68 HE3 LYS 9 1HE LYS 9 6.031 7.582 -3.872 69 HZ1 LYS 9 3HZ LYS 9 6.892 9.561 -2.786 70 HZ2 LYS 9 1HZ LYS 9 7.366 10.203 -4.276 71 HZ3 LYS 9 2HZ LYS 9 8.093 8.792 -3.695 72 H ILE 10 H ILE 10 2.283 4.357 -4.948 73 HA ILE 10 HA ILE 10 3.456 2.093 -3.601 74 HB ILE 10 HB ILE 10 0.520 2.926 -3.743 75 HG12 ILE 10 2HG1 ILE 10 1.874 4.709 -2.720 76 HG13 ILE 10 1HG1 ILE 10 0.869 3.944 -1.500 77 HG21 ILE 10 1HG2 ILE 10 1.889 1.012 -1.820 78 HG22 ILE 10 2HG2 ILE 10 0.726 0.585 -3.074 79 HG23 ILE 10 3HG2 ILE 10 0.211 1.553 -1.693 80 HD11 ILE 10 3HD1 ILE 10 2.820 2.666 -0.710 81 HD12 ILE 10 1HD1 ILE 10 3.086 4.408 -0.648 82 HD13 ILE 10 2HD1 ILE 10 3.813 3.459 -1.940 83 H ARG 11 H ARG 11 1.091 2.592 -6.187 84 HA ARG 11 HA ARG 11 0.517 -0.121 -6.764 85 HB2 ARG 11 2HB ARG 11 0.375 2.325 -8.550 86 HB3 ARG 11 1HB ARG 11 -0.233 0.744 -9.016 87 HG2 ARG 11 2HG ARG 11 -1.262 2.500 -6.779 88 HG3 ARG 11 1HG ARG 11 -2.057 2.145 -8.313 89 HD2 ARG 11 2HD ARG 11 -3.166 0.759 -6.805 90 HD3 ARG 11 1HD ARG 11 -1.991 -0.340 -7.528 91 HE ARG 11 HE ARG 11 -1.602 0.977 -4.898 92 HH11 ARG 11 1HH1 ARG 11 -1.426 -1.914 -6.859 93 HH12 ARG 11 2HH1 ARG 11 -0.751 -2.881 -5.592 94 HH21 ARG 11 1HH2 ARG 11 -0.652 -0.278 -3.261 95 HH22 ARG 11 2HH2 ARG 11 -0.312 -1.951 -3.551 96 H ARG 12 H ARG 12 2.871 2.132 -8.121 97 HA ARG 12 HA ARG 12 3.950 0.420 -10.073 98 HB2 ARG 12 2HB ARG 12 5.186 2.803 -8.656 99 HB3 ARG 12 1HB ARG 12 5.996 1.948 -9.956 100 HG2 ARG 12 2HG ARG 12 3.519 3.661 -10.074 101 HG3 ARG 12 1HG ARG 12 5.010 3.811 -11.000 102 HD2 ARG 12 2HD ARG 12 2.864 1.696 -11.327 103 HD3 ARG 12 1HD ARG 12 3.238 3.009 -12.448 104 HE ARG 12 HE ARG 12 5.493 1.284 -11.988 105 HH11 ARG 12 1HH1 ARG 12 2.543 1.574 -13.871 106 HH12 ARG 12 2HH1 ARG 12 3.110 0.522 -15.131 107 HH21 ARG 12 1HH2 ARG 12 6.192 -0.107 -13.593 108 HH22 ARG 12 2HH2 ARG 12 5.189 -0.432 -14.974 109 H TYR 13 H TYR 13 5.081 1.219 -6.833 110 HA TYR 13 HA TYR 13 7.415 -0.227 -6.684 111 HB2 TYR 13 2HB TYR 13 6.773 1.317 -4.935 112 HB3 TYR 13 1HB TYR 13 5.371 0.346 -4.518 113 HD1 TYR 13 HD1 TYR 13 9.113 -0.093 -4.828 114 HD2 TYR 13 HD2 TYR 13 5.587 -0.971 -2.570 115 HE1 TYR 13 HE1 TYR 13 10.467 -1.295 -3.185 116 HE2 TYR 13 HE2 TYR 13 6.954 -2.166 -0.927 117 HH TYR 13 HH TYR 13 9.329 -3.420 -1.108 118 H ILE 14 H ILE 14 4.145 -1.445 -6.116 119 HA ILE 14 HA ILE 14 4.713 -4.076 -5.332 120 HB ILE 14 HB ILE 14 2.377 -3.026 -6.993 121 HG12 ILE 14 2HG1 ILE 14 2.600 -1.986 -4.732 122 HG13 ILE 14 1HG1 ILE 14 1.129 -2.943 -4.876 123 HG21 ILE 14 1HG2 ILE 14 2.502 -5.428 -7.309 124 HG22 ILE 14 2HG2 ILE 14 1.153 -5.078 -6.233 125 HG23 ILE 14 3HG2 ILE 14 2.669 -5.701 -5.573 126 HD11 ILE 14 3HD1 ILE 14 2.176 -3.266 -2.723 127 HD12 ILE 14 1HD1 ILE 14 3.674 -3.778 -3.493 128 HD13 ILE 14 2HD1 ILE 14 2.220 -4.770 -3.642 129 H MET 15 H MET 15 4.085 -2.811 -8.608 130 HA MET 15 HA MET 15 4.742 -5.179 -10.018 131 HB2 MET 15 2HB MET 15 4.472 -2.253 -10.796 132 HB3 MET 15 1HB MET 15 4.955 -3.460 -11.987 133 HG2 MET 15 2HG MET 15 2.407 -3.460 -10.367 134 HG3 MET 15 1HG MET 15 2.571 -3.128 -12.096 135 HE1 MET 15 3HE MET 15 0.853 -6.722 -11.757 136 HE2 MET 15 1HE MET 15 0.608 -5.068 -12.307 137 HE3 MET 15 2HE MET 15 0.713 -5.417 -10.580 138 H GLU 16 H GLU 16 6.794 -2.387 -9.076 139 HA GLU 16 HA GLU 16 8.916 -2.937 -10.884 140 HB2 GLU 16 2HB GLU 16 9.181 -1.330 -8.323 141 HB3 GLU 16 1HB GLU 16 10.231 -1.270 -9.729 142 HG2 GLU 16 2HG GLU 16 7.470 -0.127 -9.386 143 HG3 GLU 16 1HG GLU 16 8.959 0.705 -9.779 144 H ASP 17 H ASP 17 8.449 -3.448 -7.434 145 HA ASP 17 HA ASP 17 11.025 -4.869 -7.179 146 HB2 ASP 17 2HB ASP 17 10.762 -2.949 -5.707 147 HB3 ASP 17 1HB ASP 17 9.192 -3.518 -5.167 148 H LEU 18 H LEU 18 7.605 -5.181 -6.132 149 HA LEU 18 HA LEU 18 8.076 -7.705 -4.858 150 HB2 LEU 18 2HB LEU 18 5.518 -6.205 -5.435 151 HB3 LEU 18 1HB LEU 18 5.524 -7.768 -4.645 152 HG LEU 18 HG LEU 18 5.347 -6.152 -2.913 153 HD11 LEU 18 1HD1 LEU 18 7.314 -6.540 -1.530 154 HD12 LEU 18 2HD1 LEU 18 8.258 -7.027 -2.938 155 HD13 LEU 18 3HD1 LEU 18 6.889 -8.007 -2.401 156 HD21 LEU 18 3HD2 LEU 18 6.073 -4.140 -4.128 157 HD22 LEU 18 1HD2 LEU 18 7.756 -4.665 -4.002 158 HD23 LEU 18 2HD2 LEU 18 6.839 -4.261 -2.549 159 H ILE 19 H ILE 19 6.628 -6.825 -7.982 160 HA ILE 19 HA ILE 19 6.309 -9.650 -8.725 161 HB ILE 19 HB ILE 19 5.609 -7.063 -10.177 162 HG12 ILE 19 2HG1 ILE 19 3.292 -7.945 -10.157 163 HG13 ILE 19 1HG1 ILE 19 3.852 -9.399 -9.375 164 HG21 ILE 19 1HG2 ILE 19 5.451 -9.863 -11.348 165 HG22 ILE 19 2HG2 ILE 19 6.507 -8.558 -11.898 166 HG23 ILE 19 3HG2 ILE 19 4.757 -8.415 -12.085 167 HD11 ILE 19 3HD1 ILE 19 2.706 -7.950 -7.835 168 HD12 ILE 19 1HD1 ILE 19 3.853 -6.653 -8.180 169 HD13 ILE 19 2HD1 ILE 19 4.400 -8.134 -7.381 170 H GLY 20 H GLY 20 8.224 -6.801 -9.624 171 HA2 GLY 20 2HA GLY 20 10.483 -6.856 -10.363 172 HA3 GLY 20 1HA GLY 20 10.268 -8.511 -10.925 173 HA PRO 21 HA PRO 21 9.943 -5.514 -14.585 174 HB2 PRO 21 2HB PRO 21 11.793 -6.729 -16.205 175 HB3 PRO 21 1HB PRO 21 12.244 -5.565 -14.945 176 HG2 PRO 21 2HG PRO 21 12.309 -8.564 -14.829 177 HG3 PRO 21 1HG PRO 21 13.541 -7.387 -14.316 178 HD2 PRO 21 2HD PRO 21 11.845 -8.548 -12.539 179 HD3 PRO 21 1HD PRO 21 12.444 -6.884 -12.334 180 H SER 22 H SER 22 9.110 -8.684 -13.945 181 HA SER 22 HA SER 22 7.886 -9.344 -16.500 182 HB2 SER 22 2HB SER 22 7.640 -10.648 -13.753 183 HB3 SER 22 1HB SER 22 7.058 -11.328 -15.277 184 HG SER 22 HG SER 22 9.274 -11.216 -15.996 185 H ALA 23 H ALA 23 7.165 -6.881 -14.716 186 HA ALA 23 HA ALA 23 4.671 -7.207 -13.481 187 HB1 ALA 23 3HB ALA 23 5.907 -4.664 -14.568 188 HB2 ALA 23 1HB ALA 23 6.198 -5.371 -12.974 189 HB3 ALA 23 2HB ALA 23 4.584 -4.783 -13.392 190 H LYS 24 H LYS 24 2.724 -7.312 -14.204 191 HA LYS 24 HA LYS 24 1.954 -6.416 -16.898 192 HB2 LYS 24 2HB LYS 24 0.572 -8.263 -14.924 193 HB3 LYS 24 1HB LYS 24 -0.113 -7.752 -16.466 194 HG2 LYS 24 2HG LYS 24 1.656 -8.867 -17.689 195 HG3 LYS 24 1HG LYS 24 2.485 -9.284 -16.185 196 HD2 LYS 24 2HD LYS 24 0.674 -10.769 -15.535 197 HD3 LYS 24 1HD LYS 24 -0.297 -10.265 -16.924 198 HE2 LYS 24 2HE LYS 24 2.392 -11.644 -17.136 199 HE3 LYS 24 1HE LYS 24 0.846 -12.487 -17.224 200 HZ1 LYS 24 3HZ LYS 24 0.291 -11.096 -19.153 201 HZ2 LYS 24 1HZ LYS 24 1.662 -12.044 -19.420 202 HZ3 LYS 24 2HZ LYS 24 1.826 -10.396 -19.093 203 H GLU 25 H GLU 25 2.062 -4.191 -16.193 204 HA GLU 25 HA GLU 25 0.663 -3.072 -14.015 205 HB2 GLU 25 2HB GLU 25 0.854 -0.895 -15.221 206 HB3 GLU 25 1HB GLU 25 2.363 -1.778 -15.148 207 HG2 GLU 25 2HG GLU 25 2.254 -2.404 -17.447 208 HG3 GLU 25 1HG GLU 25 0.568 -1.902 -17.567 209 H ASP 26 H ASP 26 -0.465 -4.180 -17.076 210 HA ASP 26 HA ASP 26 -2.876 -2.728 -17.275 211 HB2 ASP 26 2HB ASP 26 -1.825 -3.919 -19.183 212 HB3 ASP 26 1HB ASP 26 -2.139 -5.470 -18.408 213 H GLU 27 H GLU 27 -1.981 -5.706 -15.646 214 HA GLU 27 HA GLU 27 -4.606 -6.453 -14.731 215 HB2 GLU 27 2HB GLU 27 -1.866 -7.278 -13.684 216 HB3 GLU 27 1HB GLU 27 -3.382 -8.076 -13.307 217 HG2 GLU 27 2HG GLU 27 -2.114 -7.935 -16.050 218 HG3 GLU 27 1HG GLU 27 -2.019 -9.303 -14.952 219 H LEU 28 H LEU 28 -2.287 -4.153 -13.764 220 HA LEU 28 HA LEU 28 -3.048 -3.921 -10.968 221 HB2 LEU 28 2HB LEU 28 -0.704 -3.729 -11.634 222 HB3 LEU 28 1HB LEU 28 -1.102 -2.427 -12.735 223 HG LEU 28 HG LEU 28 -1.810 -1.067 -10.688 224 HD11 LEU 28 1HD1 LEU 28 -2.083 -2.847 -9.062 225 HD12 LEU 28 2HD1 LEU 28 -0.835 -1.727 -8.524 226 HD13 LEU 28 3HD1 LEU 28 -0.376 -3.286 -9.210 227 HD21 LEU 28 3HD2 LEU 28 0.483 -0.400 -10.172 228 HD22 LEU 28 1HD2 LEU 28 0.272 -0.655 -11.902 229 HD23 LEU 28 2HD2 LEU 28 1.091 -1.872 -10.923 230 H ASP 29 H ASP 29 -4.252 -2.268 -10.116 231 HA ASP 29 HA ASP 29 -4.576 0.301 -11.384 232 HB2 ASP 29 2HB ASP 29 -6.474 -1.176 -12.373 233 HB3 ASP 29 1HB ASP 29 -7.126 -1.247 -10.736 234 H ASP 30 H ASP 30 -5.910 1.760 -9.852 235 HA ASP 30 HA ASP 30 -5.016 1.403 -7.160 236 HB2 ASP 30 2HB ASP 30 -6.176 3.511 -6.664 237 HB3 ASP 30 1HB ASP 30 -5.181 3.656 -8.106 238 H GLN 31 H GLN 31 -8.029 0.987 -8.840 239 HA GLN 31 HA GLN 31 -9.654 0.432 -6.530 240 HB2 GLN 31 2HB GLN 31 -10.175 -0.025 -9.495 241 HB3 GLN 31 1HB GLN 31 -11.394 -0.115 -8.224 242 HG2 GLN 31 2HG GLN 31 -11.272 2.237 -7.803 243 HG3 GLN 31 1HG GLN 31 -9.811 2.411 -8.780 244 HE21 GLN 31 1HE2 GLN 31 -9.991 2.308 -11.060 245 HE22 GLN 31 2HE2 GLN 31 -11.501 2.598 -11.853 246 H THR 32 H THR 32 -7.434 -1.422 -8.402 247 HA THR 32 HA THR 32 -8.653 -3.960 -8.404 248 HB THR 32 HB THR 32 -5.689 -3.308 -8.401 249 HG1 THR 32 HG1 THR 32 -7.383 -4.019 -10.558 250 HG21 THR 32 3HG2 THR 32 -7.124 -5.912 -9.099 251 HG22 THR 32 1HG2 THR 32 -6.011 -5.664 -7.749 252 HG23 THR 32 2HG2 THR 32 -5.416 -5.587 -9.408 253 HA PRO 33 HA PRO 33 -8.204 -4.724 -3.940 254 HB2 PRO 33 2HB PRO 33 -9.542 -7.112 -3.884 255 HB3 PRO 33 1HB PRO 33 -10.380 -5.549 -4.004 256 HG2 PRO 33 2HG PRO 33 -9.773 -7.527 -6.164 257 HG3 PRO 33 1HG PRO 33 -11.246 -6.573 -5.890 258 HD2 PRO 33 2HD PRO 33 -9.337 -5.887 -7.726 259 HD3 PRO 33 1HD PRO 33 -10.394 -4.701 -6.929 260 H LEU 34 H LEU 34 -6.117 -5.177 -3.536 261 HA LEU 34 HA LEU 34 -4.498 -6.977 -4.983 262 HB2 LEU 34 2HB LEU 34 -3.995 -5.758 -2.255 263 HB3 LEU 34 1HB LEU 34 -2.778 -6.403 -3.348 264 HG LEU 34 HG LEU 34 -4.487 -3.945 -3.902 265 HD11 LEU 34 1HD1 LEU 34 -2.441 -2.650 -3.532 266 HD12 LEU 34 2HD1 LEU 34 -1.577 -4.120 -3.074 267 HD13 LEU 34 3HD1 LEU 34 -2.914 -3.531 -2.082 268 HD21 LEU 34 3HD2 LEU 34 -2.946 -3.559 -5.804 269 HD22 LEU 34 1HD2 LEU 34 -3.853 -5.057 -5.988 270 HD23 LEU 34 2HD2 LEU 34 -2.163 -5.108 -5.480 271 H LEU 35 H LEU 35 -6.168 -7.248 -1.871 272 HA LEU 35 HA LEU 35 -5.070 -9.716 -0.997 273 HB2 LEU 35 2HB LEU 35 -7.811 -8.542 -0.436 274 HB3 LEU 35 1HB LEU 35 -7.077 -9.866 0.459 275 HG LEU 35 HG LEU 35 -5.940 -7.043 0.361 276 HD11 LEU 35 1HD1 LEU 35 -8.133 -7.093 1.465 277 HD12 LEU 35 2HD1 LEU 35 -6.831 -6.769 2.603 278 HD13 LEU 35 3HD1 LEU 35 -7.563 -8.374 2.541 279 HD21 LEU 35 3HD2 LEU 35 -4.548 -7.779 2.261 280 HD22 LEU 35 1HD2 LEU 35 -4.223 -8.751 0.828 281 HD23 LEU 35 2HD2 LEU 35 -5.213 -9.410 2.132 282 H GLU 36 H GLU 36 -8.010 -8.960 -2.850 283 HA GLU 36 HA GLU 36 -8.932 -11.640 -3.099 284 HB2 GLU 36 2HB GLU 36 -9.575 -9.307 -4.929 285 HB3 GLU 36 1HB GLU 36 -10.519 -10.779 -4.758 286 HG2 GLU 36 2HG GLU 36 -10.167 -8.569 -2.725 287 HG3 GLU 36 1HG GLU 36 -11.633 -8.995 -3.595 288 H TRP 37 H TRP 37 -6.585 -9.752 -4.837 289 HA TRP 37 HA TRP 37 -6.420 -11.711 -7.056 290 HB2 TRP 37 2HB TRP 37 -5.133 -8.995 -6.587 291 HB3 TRP 37 1HB TRP 37 -4.605 -10.063 -7.884 292 HD1 TRP 37 HD1 TRP 37 -8.220 -9.060 -6.783 293 HE1 TRP 37 HE1 TRP 37 -9.480 -8.240 -8.841 294 HE3 TRP 37 HE3 TRP 37 -4.446 -9.406 -10.235 295 HZ2 TRP 37 HZ2 TRP 37 -8.970 -7.776 -11.579 296 HZ3 TRP 37 HZ3 TRP 37 -4.927 -8.748 -12.562 297 HH2 TRP 37 HH2 TRP 37 -7.142 -7.950 -13.219 298 H GLY 38 H GLY 38 -5.409 -11.767 -3.996 299 HA2 GLY 38 2HA GLY 38 -3.953 -13.141 -2.895 300 HA3 GLY 38 1HA GLY 38 -3.594 -13.899 -4.436 301 H ILE 39 H ILE 39 -3.062 -10.511 -4.111 302 HA ILE 39 HA ILE 39 -0.287 -10.758 -4.839 303 HB ILE 39 HB ILE 39 -2.083 -8.342 -4.320 304 HG12 ILE 39 2HG1 ILE 39 -1.012 -9.478 -6.942 305 HG13 ILE 39 1HG1 ILE 39 -2.645 -9.720 -6.334 306 HG21 ILE 39 1HG2 ILE 39 0.252 -7.697 -3.839 307 HG22 ILE 39 2HG2 ILE 39 -0.360 -6.888 -5.280 308 HG23 ILE 39 3HG2 ILE 39 0.738 -8.261 -5.443 309 HD11 ILE 39 3HD1 ILE 39 -3.037 -7.295 -6.512 310 HD12 ILE 39 1HD1 ILE 39 -2.628 -8.045 -8.054 311 HD13 ILE 39 2HD1 ILE 39 -1.416 -7.102 -7.187 312 H LEU 40 H LEU 40 -2.128 -9.994 -1.919 313 HA LEU 40 HA LEU 40 0.324 -9.090 -0.559 314 HB2 LEU 40 2HB LEU 40 -2.559 -8.629 0.222 315 HB3 LEU 40 1HB LEU 40 -1.160 -8.040 1.110 316 HG LEU 40 HG LEU 40 -2.007 -7.193 -1.683 317 HD11 LEU 40 1HD1 LEU 40 -3.405 -6.249 0.039 318 HD12 LEU 40 2HD1 LEU 40 -2.362 -4.998 -0.632 319 HD13 LEU 40 3HD1 LEU 40 -1.990 -5.698 0.947 320 HD21 LEU 40 3HD2 LEU 40 -0.155 -5.558 -1.572 321 HD22 LEU 40 1HD2 LEU 40 0.424 -7.223 -1.595 322 HD23 LEU 40 2HD2 LEU 40 0.415 -6.312 -0.080 323 H ASN 41 H ASN 41 1.115 -9.977 0.999 324 HA ASN 41 HA ASN 41 0.087 -11.102 3.287 325 HB2 ASN 41 2HB ASN 41 0.373 -13.135 1.189 326 HB3 ASN 41 1HB ASN 41 1.506 -13.486 2.486 327 HD21 ASN 41 1HD2 ASN 41 0.657 -13.938 4.595 328 HD22 ASN 41 2HD2 ASN 41 -0.986 -14.425 4.808 329 H SER 42 H SER 42 2.274 -12.377 4.314 330 HA SER 42 HA SER 42 3.800 -10.335 5.106 331 HB2 SER 42 3HB SER 42 4.704 -13.231 4.810 332 HB3 SER 42 2HB SER 42 5.563 -12.026 5.772 333 H MET 43 H MET 43 4.725 -12.400 2.322 334 HA MET 43 HA MET 43 7.340 -11.292 1.988 335 HB2 MET 43 2HB MET 43 7.302 -12.546 -0.248 336 HB3 MET 43 1HB MET 43 7.077 -13.510 1.205 337 HG2 MET 43 2HG MET 43 5.564 -14.264 -0.521 338 HG3 MET 43 1HG MET 43 4.643 -13.533 0.793 339 HE1 MET 43 3HE MET 43 2.215 -11.690 -1.341 340 HE2 MET 43 1HE MET 43 2.706 -12.093 0.305 341 HE3 MET 43 2HE MET 43 2.469 -13.377 -0.885 342 H ASN 44 H ASN 44 4.490 -9.831 1.329 343 HA ASN 44 HA ASN 44 5.624 -8.055 -0.734 344 HB2 ASN 44 2HB ASN 44 3.832 -9.594 -1.648 345 HB3 ASN 44 1HB ASN 44 2.691 -8.906 -0.498 346 HD21 ASN 44 1HD2 ASN 44 2.801 -8.957 -3.490 347 HD22 ASN 44 2HD2 ASN 44 2.607 -7.310 -3.972 348 H ILE 45 H ILE 45 3.344 -8.429 1.917 349 HA ILE 45 HA ILE 45 2.353 -5.784 1.914 350 HB ILE 45 HB ILE 45 1.177 -7.879 2.743 351 HG12 ILE 45 2HG1 ILE 45 1.132 -5.527 4.676 352 HG13 ILE 45 1HG1 ILE 45 0.258 -5.586 3.146 353 HG21 ILE 45 1HG2 ILE 45 2.762 -7.410 5.295 354 HG22 ILE 45 2HG2 ILE 45 2.983 -8.766 4.192 355 HG23 ILE 45 3HG2 ILE 45 1.467 -8.590 5.076 356 HD11 ILE 45 3HD1 ILE 45 -1.086 -7.415 3.935 357 HD12 ILE 45 1HD1 ILE 45 -1.144 -6.098 5.110 358 HD13 ILE 45 2HD1 ILE 45 -0.134 -7.522 5.420 359 H VAL 46 H VAL 46 4.952 -7.363 3.688 360 HA VAL 46 HA VAL 46 5.322 -5.401 5.727 361 HB VAL 46 HB VAL 46 7.278 -7.485 4.663 362 HG11 VAL 46 1HG1 VAL 46 7.353 -5.933 7.277 363 HG12 VAL 46 2HG1 VAL 46 8.475 -5.756 5.927 364 HG13 VAL 46 3HG1 VAL 46 8.435 -7.260 6.847 365 HG21 VAL 46 3HG2 VAL 46 6.551 -8.872 6.585 366 HG22 VAL 46 1HG2 VAL 46 5.216 -8.533 5.483 367 HG23 VAL 46 2HG2 VAL 46 5.342 -7.654 7.011 368 H LYS 47 H LYS 47 6.263 -5.673 2.433 369 HA LYS 47 HA LYS 47 8.448 -3.816 2.457 370 HB2 LYS 47 2HB LYS 47 6.873 -5.091 0.202 371 HB3 LYS 47 1HB LYS 47 8.112 -3.877 -0.094 372 HG2 LYS 47 2HG LYS 47 9.064 -6.073 -0.415 373 HG3 LYS 47 1HG LYS 47 9.785 -5.319 1.007 374 HD2 LYS 47 2HD LYS 47 8.405 -6.678 2.489 375 HD3 LYS 47 1HD LYS 47 7.539 -7.365 1.115 376 HE2 LYS 47 2HE LYS 47 10.490 -7.733 1.704 377 HE3 LYS 47 1HE LYS 47 9.221 -8.916 2.021 378 HZ1 LYS 47 3HZ LYS 47 8.774 -9.009 -0.335 379 HZ2 LYS 47 1HZ LYS 47 10.382 -9.394 -0.015 380 HZ3 LYS 47 2HZ LYS 47 9.986 -7.879 -0.640 381 H LEU 48 H LEU 48 4.963 -3.618 2.005 382 HA LEU 48 HA LEU 48 4.893 -0.866 1.193 383 HB2 LEU 48 2HB LEU 48 2.742 -2.579 2.502 384 HB3 LEU 48 1HB LEU 48 2.481 -0.907 2.034 385 HG LEU 48 HG LEU 48 1.517 -2.245 0.316 386 HD11 LEU 48 1HD1 LEU 48 2.754 -1.579 -1.706 387 HD12 LEU 48 2HD1 LEU 48 4.195 -1.251 -0.746 388 HD13 LEU 48 3HD1 LEU 48 2.743 -0.271 -0.525 389 HD21 LEU 48 3HD2 LEU 48 4.126 -3.770 0.055 390 HD22 LEU 48 1HD2 LEU 48 2.676 -3.995 -0.927 391 HD23 LEU 48 2HD2 LEU 48 2.642 -4.379 0.789 392 H MET 49 H MET 49 4.848 -2.548 4.294 393 HA MET 49 HA MET 49 4.196 -0.403 6.005 394 HB2 MET 49 2HB MET 49 6.067 -2.715 6.693 395 HB3 MET 49 1HB MET 49 5.194 -1.699 7.833 396 HG2 MET 49 2HG MET 49 3.077 -2.647 7.121 397 HG3 MET 49 1HG MET 49 3.896 -3.606 5.881 398 HE1 MET 49 3HE MET 49 2.067 -5.230 7.656 399 HE2 MET 49 1HE MET 49 3.057 -6.494 8.380 400 HE3 MET 49 2HE MET 49 3.245 -6.099 6.668 401 H VAL 50 H VAL 50 7.386 -1.678 5.034 402 HA VAL 50 HA VAL 50 8.912 0.365 6.339 403 HB VAL 50 HB VAL 50 9.852 -1.887 5.921 404 HG11 VAL 50 1HG1 VAL 50 8.914 -2.365 3.708 405 HG12 VAL 50 2HG1 VAL 50 10.666 -2.551 3.682 406 HG13 VAL 50 3HG1 VAL 50 9.923 -1.108 2.980 407 HG21 VAL 50 3HG2 VAL 50 11.417 -0.021 6.306 408 HG22 VAL 50 1HG2 VAL 50 11.478 0.294 4.569 409 HG23 VAL 50 2HG2 VAL 50 12.118 -1.218 5.216 410 H TYR 51 H TYR 51 7.470 0.097 3.154 411 HA TYR 51 HA TYR 51 9.010 2.010 1.739 412 HB2 TYR 51 2HB TYR 51 7.291 0.382 0.718 413 HB3 TYR 51 1HB TYR 51 6.045 1.480 1.269 414 HD1 TYR 51 HD1 TYR 51 8.942 1.144 -1.038 415 HD2 TYR 51 HD2 TYR 51 5.599 3.565 0.065 416 HE1 TYR 51 HE1 TYR 51 9.207 2.445 -3.097 417 HE2 TYR 51 HE2 TYR 51 5.866 4.863 -2.001 418 HH TYR 51 HH TYR 51 7.753 5.409 -3.584 419 H ILE 52 H ILE 52 5.863 2.259 3.271 420 HA ILE 52 HA ILE 52 5.507 5.064 3.027 421 HB ILE 52 HB ILE 52 4.136 3.058 4.871 422 HG12 ILE 52 2HG1 ILE 52 3.145 4.036 2.156 423 HG13 ILE 52 1HG1 ILE 52 4.125 2.584 2.322 424 HG21 ILE 52 1HG2 ILE 52 3.722 5.396 5.571 425 HG22 ILE 52 2HG2 ILE 52 2.251 4.632 4.967 426 HG23 ILE 52 3HG2 ILE 52 3.134 5.772 3.953 427 HD11 ILE 52 3HD1 ILE 52 1.409 3.036 3.536 428 HD12 ILE 52 1HD1 ILE 52 2.404 1.587 3.723 429 HD13 ILE 52 2HD1 ILE 52 1.799 2.041 2.131 430 H ARG 53 H ARG 53 6.910 2.988 5.468 431 HA ARG 53 HA ARG 53 7.172 4.787 7.626 432 HB2 ARG 53 2HB ARG 53 7.461 2.323 7.848 433 HB3 ARG 53 1HB ARG 53 8.910 2.411 6.851 434 HG2 ARG 53 2HG ARG 53 9.490 2.198 9.224 435 HG3 ARG 53 1HG ARG 53 10.055 3.735 8.569 436 HD2 ARG 53 2HD ARG 53 7.894 4.757 9.540 437 HD3 ARG 53 1HD ARG 53 7.702 3.242 10.425 438 HE ARG 53 HE ARG 53 9.597 5.371 10.909 439 HH11 ARG 53 1HH1 ARG 53 8.871 2.022 11.606 440 HH12 ARG 53 2HH1 ARG 53 9.837 2.008 13.042 441 HH21 ARG 53 1HH2 ARG 53 10.800 5.345 12.784 442 HH22 ARG 53 2HH2 ARG 53 10.926 3.887 13.708 443 H ASP 54 H ASP 54 9.086 4.336 4.718 444 HA ASP 54 HA ASP 54 11.200 6.184 5.664 445 HB2 ASP 54 2HB ASP 54 11.882 4.039 4.591 446 HB3 ASP 54 1HB ASP 54 11.044 4.514 3.120 447 H GLU 55 H GLU 55 8.538 6.016 3.392 448 HA GLU 55 HA GLU 55 9.434 8.273 1.782 449 HB2 GLU 55 2HB GLU 55 8.002 6.040 1.149 450 HB3 GLU 55 1HB GLU 55 6.671 7.138 1.433 451 HG2 GLU 55 2HG GLU 55 8.907 7.508 -0.577 452 HG3 GLU 55 1HG GLU 55 7.271 6.986 -0.945 453 H MET 56 H MET 56 6.526 7.572 3.791 454 HA MET 56 HA MET 56 6.024 10.472 4.119 455 HB2 MET 56 2HB MET 56 4.292 8.020 4.522 456 HB3 MET 56 1HB MET 56 3.865 9.519 5.340 457 HG2 MET 56 2HG MET 56 2.619 9.308 3.271 458 HG3 MET 56 1HG MET 56 3.736 10.669 3.182 459 HE1 MET 56 3HE MET 56 3.005 6.989 2.004 460 HE2 MET 56 1HE MET 56 4.572 6.833 2.800 461 HE3 MET 56 2HE MET 56 4.450 6.635 1.054 462 H GLY 57 H GLY 57 7.594 7.991 5.761 463 HA2 GLY 57 2HA GLY 57 8.707 8.057 7.779 464 HA3 GLY 57 1HA GLY 57 7.992 9.627 8.111 465 H VAL 58 H VAL 58 5.888 6.965 7.296 466 HA VAL 58 HA VAL 58 5.233 6.443 10.142 467 HB VAL 58 HB VAL 58 3.690 8.240 9.443 468 HG11 VAL 58 1HG1 VAL 58 2.811 6.422 7.171 469 HG12 VAL 58 2HG1 VAL 58 3.679 7.950 7.010 470 HG13 VAL 58 3HG1 VAL 58 2.025 7.938 7.627 471 HG21 VAL 58 3HG2 VAL 58 2.807 6.532 10.982 472 HG22 VAL 58 1HG2 VAL 58 2.240 5.576 9.611 473 HG23 VAL 58 2HG2 VAL 58 1.522 7.155 9.941 474 H SER 59 H SER 59 5.125 4.233 10.438 475 HA SER 59 HA SER 59 4.307 2.505 8.184 476 HB2 SER 59 2HB SER 59 6.436 1.864 9.336 477 HB3 SER 59 1HB SER 59 5.559 1.707 10.853 478 HG SER 59 HG SER 59 4.290 0.064 9.816 479 H ILE 60 H ILE 60 2.527 1.181 8.411 480 HA ILE 60 HA ILE 60 0.484 1.797 10.298 481 HB ILE 60 HB ILE 60 0.725 -0.684 8.529 482 HG12 ILE 60 2HG1 ILE 60 -0.493 2.047 8.035 483 HG13 ILE 60 1HG1 ILE 60 0.626 1.163 7.021 484 HG21 ILE 60 1HG2 ILE 60 -1.697 -0.978 8.911 485 HG22 ILE 60 2HG2 ILE 60 -1.713 0.419 9.988 486 HG23 ILE 60 3HG2 ILE 60 -0.810 -1.032 10.431 487 HD11 ILE 60 3HD1 ILE 60 -1.131 -0.364 6.389 488 HD12 ILE 60 1HD1 ILE 60 -1.622 1.300 6.086 489 HD13 ILE 60 2HD1 ILE 60 -2.259 0.435 7.490 490 HA PRO 61 HA PRO 61 2.394 -0.581 13.721 491 HB2 PRO 61 2HB PRO 61 0.135 -0.515 15.389 492 HB3 PRO 61 1HB PRO 61 1.338 0.783 15.273 493 HG2 PRO 61 2HG PRO 61 -1.320 0.570 13.922 494 HG3 PRO 61 1HG PRO 61 -0.551 1.977 14.693 495 HD2 PRO 61 2HD PRO 61 -0.566 1.703 12.022 496 HD3 PRO 61 1HD PRO 61 0.847 2.391 12.860 497 H SER 62 H SER 62 2.141 -2.692 14.632 498 HA SER 62 HA SER 62 1.294 -4.580 12.724 499 HB2 SER 62 2HB SER 62 1.996 -5.161 15.628 500 HB3 SER 62 1HB SER 62 2.061 -6.273 14.257 501 HG SER 62 HG SER 62 3.534 -4.452 13.403 502 H THR 63 H THR 63 -0.440 -3.287 15.478 503 HA THR 63 HA THR 63 -2.512 -5.278 15.582 504 HB THR 63 HB THR 63 -2.067 -3.863 17.550 505 HG1 THR 63 HG1 THR 63 -4.194 -4.696 17.249 506 HG21 THR 63 3HG2 THR 63 -1.461 -1.748 16.402 507 HG22 THR 63 1HG2 THR 63 -2.700 -1.493 17.637 508 HG23 THR 63 2HG2 THR 63 -3.147 -1.530 15.931 509 H HIS 64 H HIS 64 -2.013 -2.276 13.817 510 HA HIS 64 HA HIS 64 -4.644 -2.317 12.539 511 HB2 HIS 64 2HB HIS 64 -2.304 -0.410 12.536 512 HB3 HIS 64 1HB HIS 64 -3.451 -0.341 11.202 513 HD1 HIS 64 HD1 HIS 64 -3.288 0.128 14.955 514 HD2 HIS 64 HD2 HIS 64 -5.789 0.943 11.749 515 HE1 HIS 64 HE1 HIS 64 -5.166 1.479 15.897 516 HE2 HIS 64 HE2 HIS 64 -6.786 1.749 13.981 517 H ILE 65 H ILE 65 -1.769 -3.999 12.051 518 HA ILE 65 HA ILE 65 -1.935 -4.179 9.185 519 HB ILE 65 HB ILE 65 -0.607 -6.130 11.110 520 HG12 ILE 65 2HG1 ILE 65 0.415 -3.907 11.266 521 HG13 ILE 65 1HG1 ILE 65 1.515 -5.010 10.451 522 HG21 ILE 65 1HG2 ILE 65 0.634 -6.920 9.107 523 HG22 ILE 65 2HG2 ILE 65 -0.350 -5.863 8.091 524 HG23 ILE 65 3HG2 ILE 65 -1.101 -7.198 8.968 525 HD11 ILE 65 3HD1 ILE 65 -0.237 -2.960 9.115 526 HD12 ILE 65 1HD1 ILE 65 0.909 -4.033 8.309 527 HD13 ILE 65 2HD1 ILE 65 1.491 -2.811 9.441 528 H THR 66 H THR 66 -3.973 -4.568 8.683 529 HA THR 66 HA THR 66 -4.854 -7.320 8.782 530 HB THR 66 HB THR 66 -6.081 -6.440 10.695 531 HG1 THR 66 HG1 THR 66 -7.368 -7.755 9.412 532 HG21 THR 66 3HG2 THR 66 -7.066 -4.186 8.905 533 HG22 THR 66 1HG2 THR 66 -5.899 -4.022 10.223 534 HG23 THR 66 2HG2 THR 66 -7.568 -4.480 10.570 535 H GLY 67 H GLY 67 -6.505 -7.688 7.128 536 HA2 GLY 67 2HA GLY 67 -5.734 -6.612 4.654 537 HA3 GLY 67 1HA GLY 67 -7.139 -7.629 4.943 538 H LYS 68 H LYS 68 -8.255 -5.646 6.871 539 HA LYS 68 HA LYS 68 -10.062 -4.235 5.350 540 HB2 LYS 68 2HB LYS 68 -10.276 -4.628 7.764 541 HB3 LYS 68 1HB LYS 68 -8.912 -3.561 8.093 542 HG2 LYS 68 2HG LYS 68 -10.228 -1.649 7.211 543 HG3 LYS 68 1HG LYS 68 -11.597 -2.732 6.941 544 HD2 LYS 68 2HD LYS 68 -10.349 -1.989 9.613 545 HD3 LYS 68 1HD LYS 68 -11.944 -1.527 9.022 546 HE2 LYS 68 2HE LYS 68 -11.023 -4.309 9.797 547 HE3 LYS 68 1HE LYS 68 -12.194 -3.299 10.643 548 HZ1 LYS 68 3HZ LYS 68 -13.682 -3.485 8.763 549 HZ2 LYS 68 1HZ LYS 68 -13.249 -5.022 9.312 550 HZ3 LYS 68 2HZ LYS 68 -12.550 -4.401 7.909 551 H TYR 69 H TYR 69 -6.917 -3.137 6.513 552 HA TYR 69 HA TYR 69 -7.225 -0.463 5.342 553 HB2 TYR 69 2HB TYR 69 -5.044 -1.647 7.101 554 HB3 TYR 69 1HB TYR 69 -5.135 0.038 6.588 555 HD1 TYR 69 HD2 TYR 69 -7.705 1.062 7.074 556 HD2 TYR 69 HD1 TYR 69 -5.741 -1.977 9.337 557 HE1 TYR 69 HE2 TYR 69 -9.115 1.593 9.004 558 HE2 TYR 69 HE1 TYR 69 -7.158 -1.457 11.262 559 HH TYR 69 HH TYR 69 -9.907 0.553 11.037 560 H PHE 70 H PHE 70 -6.098 -3.440 4.349 561 HA PHE 70 HA PHE 70 -4.148 -2.297 2.410 562 HB2 PHE 70 2HB PHE 70 -4.106 -4.958 3.894 563 HB3 PHE 70 1HB PHE 70 -3.141 -4.681 2.454 564 HD1 PHE 70 HD1 PHE 70 -1.242 -3.084 2.489 565 HD2 PHE 70 HD2 PHE 70 -3.444 -3.974 6.043 566 HE1 PHE 70 HE1 PHE 70 0.616 -2.230 3.855 567 HE2 PHE 70 HE2 PHE 70 -1.590 -3.124 7.401 568 HZ PHE 70 HZ PHE 70 0.448 -2.252 6.317 569 H LYS 71 H LYS 71 -7.197 -3.002 2.294 570 HA LYS 71 HA LYS 71 -7.725 -5.249 0.753 571 HB2 LYS 71 2HB LYS 71 -9.045 -2.521 0.616 572 HB3 LYS 71 1HB LYS 71 -9.702 -3.964 -0.161 573 HG2 LYS 71 2HG LYS 71 -9.977 -5.048 2.019 574 HG3 LYS 71 1HG LYS 71 -9.266 -3.643 2.827 575 HD2 LYS 71 2HD LYS 71 -11.852 -3.677 1.224 576 HD3 LYS 71 1HD LYS 71 -11.709 -3.568 2.979 577 HE2 LYS 71 2HE LYS 71 -10.577 -1.401 2.772 578 HE3 LYS 71 1HE LYS 71 -10.670 -1.494 1.013 579 HZ1 LYS 71 3HZ LYS 71 -12.914 -1.217 2.929 580 HZ2 LYS 71 1HZ LYS 71 -13.133 -1.561 1.285 581 HZ3 LYS 71 2HZ LYS 71 -12.400 -0.116 1.757 582 H ASP 72 H ASP 72 -6.667 -2.095 -0.320 583 HA ASP 72 HA ASP 72 -5.680 -2.959 -2.864 584 HB2 ASP 72 2HB ASP 72 -7.229 -1.710 -4.283 585 HB3 ASP 72 1HB ASP 72 -8.180 -2.797 -3.283 586 H LEU 73 H LEU 73 -5.750 -0.288 -4.036 587 HA LEU 73 HA LEU 73 -3.724 1.018 -2.485 588 HB2 LEU 73 2HB LEU 73 -3.734 1.266 -4.926 589 HB3 LEU 73 1HB LEU 73 -5.290 2.080 -4.856 590 HG LEU 73 HG LEU 73 -4.238 3.939 -3.546 591 HD11 LEU 73 1HD1 LEU 73 -2.391 2.734 -2.493 592 HD12 LEU 73 2HD1 LEU 73 -1.770 4.099 -3.416 593 HD13 LEU 73 3HD1 LEU 73 -1.634 2.466 -4.068 594 HD21 LEU 73 3HD2 LEU 73 -4.478 4.289 -5.898 595 HD22 LEU 73 1HD2 LEU 73 -3.039 3.337 -6.257 596 HD23 LEU 73 2HD2 LEU 73 -2.891 4.885 -5.437 597 H ASN 74 H ASN 74 -7.117 1.781 -3.274 598 HA ASN 74 HA ASN 74 -7.331 4.264 -2.006 599 HB2 ASN 74 2HB ASN 74 -9.442 2.137 -2.527 600 HB3 ASN 74 1HB ASN 74 -9.842 3.720 -1.866 601 HD21 ASN 74 1HD2 ASN 74 -8.780 1.978 -4.720 602 HD22 ASN 74 2HD2 ASN 74 -9.010 3.297 -5.825 603 H ALA 75 H ALA 75 -7.867 1.034 -0.629 604 HA ALA 75 HA ALA 75 -8.716 1.678 1.942 605 HB1 ALA 75 3HB ALA 75 -7.781 -0.494 2.627 606 HB2 ALA 75 1HB ALA 75 -6.833 -0.571 1.145 607 HB3 ALA 75 2HB ALA 75 -8.598 -0.624 1.064 608 H ILE 76 H ILE 76 -5.393 1.291 0.768 609 HA ILE 76 HA ILE 76 -4.031 2.058 3.166 610 HB ILE 76 HB ILE 76 -3.071 1.925 0.275 611 HG12 ILE 76 2HG1 ILE 76 -2.713 -0.043 2.568 612 HG13 ILE 76 1HG1 ILE 76 -3.867 -0.247 1.244 613 HG21 ILE 76 1HG2 ILE 76 -1.582 3.414 1.579 614 HG22 ILE 76 2HG2 ILE 76 -0.755 1.910 1.169 615 HG23 ILE 76 3HG2 ILE 76 -1.381 2.153 2.800 616 HD11 ILE 76 3HD1 ILE 76 -1.984 -0.389 -0.331 617 HD12 ILE 76 1HD1 ILE 76 -1.919 -1.622 0.930 618 HD13 ILE 76 2HD1 ILE 76 -0.856 -0.215 1.021 619 H SER 77 H SER 77 -5.197 3.835 0.343 620 HA SER 77 HA SER 77 -3.619 6.190 0.690 621 HB2 SER 77 2HB SER 77 -6.268 5.891 -0.791 622 HB3 SER 77 1HB SER 77 -5.082 7.180 -1.008 623 HG SER 77 HG SER 77 -3.998 4.698 -1.292 624 H ARG 78 H ARG 78 -6.701 5.091 1.910 625 HA ARG 78 HA ARG 78 -7.454 7.619 3.113 626 HB2 ARG 78 2HB ARG 78 -8.597 4.816 3.461 627 HB3 ARG 78 1HB ARG 78 -9.300 6.274 4.155 628 HG2 ARG 78 2HG ARG 78 -9.019 5.642 1.209 629 HG3 ARG 78 1HG ARG 78 -10.511 5.619 2.147 630 HD2 ARG 78 2HD ARG 78 -10.304 8.055 2.526 631 HD3 ARG 78 1HD ARG 78 -8.804 8.072 1.587 632 HE ARG 78 HE ARG 78 -10.829 6.952 0.008 633 HH11 ARG 78 1HH1 ARG 78 -9.975 10.058 1.374 634 HH12 ARG 78 2HH1 ARG 78 -10.766 10.965 0.126 635 HH21 ARG 78 1HH2 ARG 78 -11.889 8.139 -1.611 636 HH22 ARG 78 2HH2 ARG 78 -11.852 9.872 -1.567 637 H THR 79 H THR 79 -6.232 4.478 4.191 638 HA THR 79 HA THR 79 -6.273 4.940 6.963 639 HB THR 79 HB THR 79 -4.469 3.033 5.409 640 HG1 THR 79 HG1 THR 79 -6.259 1.939 5.140 641 HG21 THR 79 3HG2 THR 79 -3.692 3.310 7.757 642 HG22 THR 79 1HG2 THR 79 -4.408 1.714 7.512 643 HG23 THR 79 2HG2 THR 79 -5.328 2.975 8.332 644 H VAL 80 H VAL 80 -3.728 5.474 4.565 645 HA VAL 80 HA VAL 80 -1.605 5.955 6.391 646 HB VAL 80 HB VAL 80 -1.277 5.274 3.974 647 HG11 VAL 80 1HG1 VAL 80 -1.276 6.961 2.189 648 HG12 VAL 80 2HG1 VAL 80 -1.880 8.189 3.305 649 HG13 VAL 80 3HG1 VAL 80 -2.892 6.803 2.885 650 HG21 VAL 80 3HG2 VAL 80 0.601 6.128 5.305 651 HG22 VAL 80 1HG2 VAL 80 0.219 7.784 4.827 652 HG23 VAL 80 2HG2 VAL 80 0.763 6.616 3.618 653 H GLU 81 H GLU 81 -4.005 8.034 4.830 654 HA GLU 81 HA GLU 81 -3.017 10.539 5.764 655 HB2 GLU 81 2HB GLU 81 -5.811 9.691 4.921 656 HB3 GLU 81 1HB GLU 81 -5.364 11.355 5.284 657 HG2 GLU 81 2HG GLU 81 -4.209 9.646 3.075 658 HG3 GLU 81 1HG GLU 81 -5.406 10.923 2.867 659 H GLN 82 H GLN 82 -5.279 8.152 7.090 660 HA GLN 82 HA GLN 82 -6.195 9.600 9.351 661 HB2 GLN 82 2HB GLN 82 -5.836 6.586 9.027 662 HB3 GLN 82 1HB GLN 82 -6.721 7.342 10.348 663 HG2 GLN 82 2HG GLN 82 -7.450 7.521 7.419 664 HG3 GLN 82 1HG GLN 82 -8.196 6.448 8.599 665 HE21 GLN 82 1HE2 GLN 82 -9.427 8.567 6.967 666 HE22 GLN 82 2HE2 GLN 82 -10.169 9.659 8.080 667 H LEU 83 H LEU 83 -3.447 7.434 8.884 668 HA LEU 83 HA LEU 83 -2.537 7.350 11.551 669 HB2 LEU 83 2HB LEU 83 -0.898 6.944 9.028 670 HB3 LEU 83 1HB LEU 83 -0.451 6.436 10.651 671 HG LEU 83 HG LEU 83 -2.742 5.321 8.995 672 HD11 LEU 83 1HD1 LEU 83 -0.124 4.067 9.855 673 HD12 LEU 83 2HD1 LEU 83 -0.555 4.579 8.221 674 HD13 LEU 83 3HD1 LEU 83 -1.430 3.254 8.983 675 HD21 LEU 83 3HD2 LEU 83 -1.870 4.525 11.795 676 HD22 LEU 83 1HD2 LEU 83 -3.043 3.659 10.796 677 HD23 LEU 83 2HD2 LEU 83 -3.396 5.291 11.348 678 H LYS 84 H LYS 84 -1.633 9.433 8.811 679 HA LYS 84 HA LYS 84 0.364 10.883 10.306 680 HB2 LYS 84 2HB LYS 84 -0.982 11.518 7.653 681 HB3 LYS 84 1HB LYS 84 0.374 12.427 8.323 682 HG2 LYS 84 2HG LYS 84 1.778 10.408 8.248 683 HG3 LYS 84 1HG LYS 84 0.426 9.484 7.602 684 HD2 LYS 84 2HD LYS 84 1.745 11.844 6.211 685 HD3 LYS 84 1HD LYS 84 2.074 10.148 5.866 686 HE2 LYS 84 2HE LYS 84 0.550 10.693 4.196 687 HE3 LYS 84 1HE LYS 84 -0.504 9.999 5.419 688 HZ1 LYS 84 3HZ LYS 84 -1.151 12.180 6.104 689 HZ2 LYS 84 1HZ LYS 84 -1.345 12.067 4.433 690 HZ3 LYS 84 2HZ LYS 84 -0.031 12.910 5.077 691 H ALA 85 H ALA 85 -3.085 11.198 9.898 692 HA ALA 85 HA ALA 85 -3.307 13.931 10.757 693 HB1 ALA 85 3HB ALA 85 -5.407 11.732 10.741 694 HB2 ALA 85 1HB ALA 85 -5.064 12.841 9.410 695 HB3 ALA 85 2HB ALA 85 -5.716 13.460 10.928 696 H GLU 86 H GLU 86 -3.535 10.777 12.378 697 HA GLU 86 HA GLU 86 -4.227 11.952 14.953 698 HB2 GLU 86 2HB GLU 86 -3.749 9.053 14.162 699 HB3 GLU 86 1HB GLU 86 -4.400 9.596 15.706 700 HG2 GLU 86 2HG GLU 86 -6.356 10.563 14.513 701 HG3 GLU 86 1HG GLU 86 -5.719 9.944 12.992 702 H SER 87 H SER 87 -1.495 10.195 13.539 703 HA SER 87 HA SER 87 0.010 10.189 16.040 704 HB2 SER 87 2HB SER 87 0.017 8.161 14.605 705 HB3 SER 87 1HB SER 87 0.777 9.072 13.305 706 HG SER 87 HG SER 87 2.583 9.336 14.596 707 H ALA 88 H ALA 88 -0.242 12.223 13.256 708 HA ALA 88 HA ALA 88 2.067 13.825 14.213 709 HB1 ALA 88 3HB ALA 88 2.818 12.614 12.204 710 HB2 ALA 88 1HB ALA 88 2.701 14.347 11.885 711 HB3 ALA 88 2HB ALA 88 1.450 13.250 11.290 712 H LEU 89 H LEU 89 1.956 16.018 13.006 713 HA LEU 89 HA LEU 89 -0.803 17.037 12.877 714 HB2 LEU 89 2HB LEU 89 -0.121 19.068 14.009 715 HB3 LEU 89 1HB LEU 89 0.237 17.693 15.004 716 HG LEU 89 HG LEU 89 2.014 19.171 15.425 717 HD11 LEU 89 1HD1 LEU 89 3.180 17.350 13.311 718 HD12 LEU 89 2HD1 LEU 89 2.915 16.935 15.007 719 HD13 LEU 89 3HD1 LEU 89 4.081 18.187 14.578 720 HD21 LEU 89 3HD2 LEU 89 2.296 19.770 12.461 721 HD22 LEU 89 1HD2 LEU 89 3.327 20.424 13.735 722 HD23 LEU 89 2HD2 LEU 89 1.616 20.844 13.685 723 H GLU 90 H GLU 90 1.907 16.421 11.135 724 HA GLU 90 HA GLU 90 1.604 18.723 9.297 725 HB2 GLU 90 2HB GLU 90 3.939 16.766 9.537 726 HB3 GLU 90 1HB GLU 90 3.884 18.209 8.527 727 HG2 GLU 90 2HG GLU 90 3.858 19.648 10.487 728 HG3 GLU 90 1HG GLU 90 3.748 18.251 11.559 729 H281 4EM 101 2H28 PYA 142 0.689 -10.375 6.487 730 H283 4EM 101 3H28 PYA 142 2.331 -10.744 7.002 731 H303 4EM 101 3H30 PYA 142 -0.951 -11.946 9.434 732 H301 4EM 101 1H30 PYA 142 -0.543 -12.815 7.941 733 H302 4EM 101 2H30 PYA 142 -1.237 -11.191 7.872 734 H312 4EM 101 2H31 PYA 142 0.447 -9.932 10.129 735 H313 4EM 101 3H31 PYA 142 1.775 -9.399 9.104 736 H311 4EM 101 1H31 PYA 142 0.103 -9.202 8.556 737 H32 4EM 101 H32 PYA 142 1.717 -13.162 8.862 738 H33 4EM 101 H33 PYA 142 3.447 -11.821 8.393 739 H36 4EM 101 H36 PYA 142 0.083 -13.796 10.302 740 H373 4EM 101 3H37 PYA 142 -0.130 -14.521 12.574 741 H372 4EM 101 2H37 PYA 142 0.245 -12.887 13.116 742 H382 4EM 101 2H38 PYA 142 -1.854 -12.067 12.121 743 H383 4EM 101 3H38 PYA 142 -2.161 -13.320 13.326 744 H41 4EM 101 H41 PYA 142 -3.864 -12.413 11.111 745 H423 4EM 101 3H42 PYA 142 -5.224 -14.602 10.333 746 H422 4EM 101 2H42 PYA 142 -3.948 -14.526 9.116 747 H433 4EM 101 3H43 PYA 142 -5.944 -12.319 9.719 748 H432 4EM 101 2H43 PYA 142 -6.011 -13.426 8.345 749 H44 4EM 101 H44 PYA 142 -4.089 -12.571 7.546 750 H49 4EM 101 H49 PYA 142 -2.774 -8.581 8.957 751 H51 4EM 101 H51 PYA 142 -1.169 -8.198 6.921 752 H50 4EM 101 H50 PYA 142 -1.684 -9.998 5.120 753 H48 4EM 101 H48 PYA 142 -3.480 -11.537 6.124 Start of MODEL 3 1 H1 MET 1 1H MET 1 6.226 15.566 -0.882 2 H2 MET 1 2H MET 1 7.105 15.019 0.454 3 H3 MET 1 3H MET 1 6.097 16.369 0.596 4 HA MET 1 HA MET 1 5.242 13.571 0.137 5 HB2 MET 1 2HB MET 1 5.903 14.083 2.474 6 HB3 MET 1 1HB MET 1 4.828 15.467 2.491 7 HG2 MET 1 2HG MET 1 2.896 13.861 2.172 8 HG3 MET 1 1HG MET 1 4.042 12.544 2.415 9 HE1 MET 1 3HE MET 1 5.291 13.496 6.117 10 HE2 MET 1 1HE MET 1 5.930 14.267 4.664 11 HE3 MET 1 2HE MET 1 5.647 12.527 4.690 12 H ASP 2 H ASP 2 3.419 13.411 -1.041 13 HA ASP 2 HA ASP 2 1.183 15.249 -0.615 14 HB2 ASP 2 2HB ASP 2 2.292 16.215 -2.625 15 HB3 ASP 2 1HB ASP 2 2.348 14.632 -3.389 16 H GLY 3 H GLY 3 -0.779 14.219 -0.841 17 HA2 GLY 3 2HA GLY 3 -0.957 11.474 -0.349 18 HA3 GLY 3 1HA GLY 3 -2.286 12.509 -0.839 19 H GLU 4 H GLU 4 -2.211 13.072 -3.292 20 HA GLU 4 HA GLU 4 -2.779 10.815 -4.798 21 HB2 GLU 4 2HB GLU 4 -1.836 13.544 -5.716 22 HB3 GLU 4 1HB GLU 4 -2.522 12.328 -6.793 23 HG2 GLU 4 2HG GLU 4 -3.962 13.504 -4.400 24 HG3 GLU 4 1HG GLU 4 -4.146 14.058 -6.061 25 H GLU 5 H GLU 5 0.236 12.580 -4.585 26 HA GLU 5 HA GLU 5 1.771 11.357 -6.569 27 HB2 GLU 5 2HB GLU 5 2.297 13.459 -5.274 28 HB3 GLU 5 1HB GLU 5 2.718 12.456 -3.892 29 HG2 GLU 5 2HG GLU 5 4.699 13.238 -5.110 30 HG3 GLU 5 1HG GLU 5 4.578 11.481 -5.107 31 H VAL 6 H VAL 6 1.481 10.542 -3.081 32 HA VAL 6 HA VAL 6 3.570 8.519 -3.317 33 HB VAL 6 HB VAL 6 3.280 8.144 -0.898 34 HG11 VAL 6 1HG1 VAL 6 3.410 11.097 -1.588 35 HG12 VAL 6 2HG1 VAL 6 4.764 9.963 -1.582 36 HG13 VAL 6 3HG1 VAL 6 3.948 10.370 -0.071 37 HG21 VAL 6 3HG2 VAL 6 1.689 9.513 0.444 38 HG22 VAL 6 1HG2 VAL 6 0.846 8.435 -0.669 39 HG23 VAL 6 2HG2 VAL 6 0.992 10.153 -1.044 40 H LYS 7 H LYS 7 0.109 8.682 -3.201 41 HA LYS 7 HA LYS 7 -0.514 6.048 -2.449 42 HB2 LYS 7 2HB LYS 7 -1.985 8.181 -4.014 43 HB3 LYS 7 1HB LYS 7 -2.727 6.608 -3.719 44 HG2 LYS 7 2HG LYS 7 -2.847 6.960 -1.391 45 HG3 LYS 7 1HG LYS 7 -1.657 8.265 -1.429 46 HD2 LYS 7 2HD LYS 7 -4.187 8.864 -1.114 47 HD3 LYS 7 1HD LYS 7 -3.206 9.844 -2.200 48 HE2 LYS 7 2HE LYS 7 -4.162 8.861 -4.124 49 HE3 LYS 7 1HE LYS 7 -4.901 7.543 -3.206 50 HZ1 LYS 7 3HZ LYS 7 -6.545 9.195 -3.807 51 HZ2 LYS 7 1HZ LYS 7 -5.648 10.418 -3.064 52 HZ3 LYS 7 2HZ LYS 7 -6.351 9.194 -2.129 53 H GLU 8 H GLU 8 -0.327 7.467 -5.766 54 HA GLU 8 HA GLU 8 -0.663 4.935 -7.040 55 HB2 GLU 8 2HB GLU 8 0.061 5.984 -9.111 56 HB3 GLU 8 1HB GLU 8 -1.098 7.006 -8.277 57 HG2 GLU 8 2HG GLU 8 0.528 8.625 -7.724 58 HG3 GLU 8 1HG GLU 8 1.871 7.513 -8.001 59 H LYS 9 H LYS 9 2.152 6.716 -5.887 60 HA LYS 9 HA LYS 9 4.214 5.152 -6.960 61 HB2 LYS 9 2HB LYS 9 4.038 6.836 -4.474 62 HB3 LYS 9 1HB LYS 9 5.517 5.970 -4.882 63 HG2 LYS 9 2HG LYS 9 5.814 7.237 -6.892 64 HG3 LYS 9 1HG LYS 9 4.199 7.947 -6.760 65 HD2 LYS 9 2HD LYS 9 6.159 9.429 -6.060 66 HD3 LYS 9 1HD LYS 9 4.815 9.299 -4.931 67 HE2 LYS 9 2HE LYS 9 6.081 7.715 -3.554 68 HE3 LYS 9 1HE LYS 9 7.425 7.755 -4.707 69 HZ1 LYS 9 3HZ LYS 9 7.952 9.183 -2.913 70 HZ2 LYS 9 1HZ LYS 9 6.454 9.959 -2.977 71 HZ3 LYS 9 2HZ LYS 9 7.569 10.199 -4.217 72 H ILE 10 H ILE 10 2.176 4.550 -4.160 73 HA ILE 10 HA ILE 10 3.512 2.373 -2.992 74 HB ILE 10 HB ILE 10 0.508 2.673 -3.340 75 HG12 ILE 10 2HG1 ILE 10 1.318 4.654 -2.211 76 HG13 ILE 10 1HG1 ILE 10 0.513 3.642 -1.023 77 HG21 ILE 10 1HG2 ILE 10 1.067 0.403 -2.672 78 HG22 ILE 10 2HG2 ILE 10 0.281 1.245 -1.337 79 HG23 ILE 10 3HG2 ILE 10 2.030 1.010 -1.325 80 HD11 ILE 10 3HD1 ILE 10 3.487 3.991 -1.394 81 HD12 ILE 10 1HD1 ILE 10 2.748 2.860 -0.249 82 HD13 ILE 10 2HD1 ILE 10 2.495 4.596 -0.068 83 H ARG 11 H ARG 11 1.061 2.430 -5.558 84 HA ARG 11 HA ARG 11 0.944 -0.293 -6.226 85 HB2 ARG 11 2HB ARG 11 0.579 2.079 -8.099 86 HB3 ARG 11 1HB ARG 11 0.024 0.435 -8.399 87 HG2 ARG 11 2HG ARG 11 -1.513 0.620 -6.464 88 HG3 ARG 11 1HG ARG 11 -0.988 2.293 -6.231 89 HD2 ARG 11 2HD ARG 11 -2.409 1.143 -8.656 90 HD3 ARG 11 1HD ARG 11 -3.062 2.304 -7.494 91 HE ARG 11 HE ARG 11 -0.739 3.416 -8.634 92 HH11 ARG 11 1HH1 ARG 11 -3.990 2.566 -9.645 93 HH12 ARG 11 2HH1 ARG 11 -4.041 3.759 -10.899 94 HH21 ARG 11 1HH2 ARG 11 -0.796 4.960 -10.323 95 HH22 ARG 11 2HH2 ARG 11 -2.236 5.117 -11.285 96 H ARG 12 H ARG 12 3.027 2.277 -7.547 97 HA ARG 12 HA ARG 12 4.279 0.866 -9.633 98 HB2 ARG 12 2HB ARG 12 5.059 3.270 -7.973 99 HB3 ARG 12 1HB ARG 12 6.263 2.571 -9.047 100 HG2 ARG 12 2HG ARG 12 5.053 4.515 -10.030 101 HG3 ARG 12 1HG ARG 12 4.931 3.040 -10.987 102 HD2 ARG 12 2HD ARG 12 2.684 2.681 -10.327 103 HD3 ARG 12 1HD ARG 12 2.793 3.871 -9.040 104 HE ARG 12 HE ARG 12 2.867 5.610 -10.746 105 HH11 ARG 12 1HH1 ARG 12 1.624 2.492 -11.760 106 HH12 ARG 12 2HH1 ARG 12 0.700 3.157 -13.074 107 HH21 ARG 12 1HH2 ARG 12 1.608 6.477 -12.364 108 HH22 ARG 12 2HH2 ARG 12 0.691 5.433 -13.417 109 H TYR 13 H TYR 13 5.386 1.445 -6.342 110 HA TYR 13 HA TYR 13 7.725 -0.073 -6.301 111 HB2 TYR 13 2HB TYR 13 7.187 1.538 -4.556 112 HB3 TYR 13 1HB TYR 13 5.758 0.620 -4.070 113 HD1 TYR 13 HD1 TYR 13 9.481 0.060 -4.480 114 HD2 TYR 13 HD2 TYR 13 5.997 -0.676 -2.121 115 HE1 TYR 13 HE1 TYR 13 10.855 -1.103 -2.808 116 HE2 TYR 13 HE2 TYR 13 7.366 -1.829 -0.459 117 HH TYR 13 HH TYR 13 10.733 -1.667 -0.387 118 H ILE 14 H ILE 14 4.391 -1.057 -5.612 119 HA ILE 14 HA ILE 14 4.861 -3.675 -4.687 120 HB ILE 14 HB ILE 14 2.400 -2.492 -6.046 121 HG12 ILE 14 2HG1 ILE 14 2.962 -3.021 -3.093 122 HG13 ILE 14 1HG1 ILE 14 3.065 -1.444 -3.857 123 HG21 ILE 14 1HG2 ILE 14 1.141 -4.407 -5.094 124 HG22 ILE 14 2HG2 ILE 14 2.659 -5.121 -4.548 125 HG23 ILE 14 3HG2 ILE 14 2.340 -4.932 -6.273 126 HD11 ILE 14 3HD1 ILE 14 0.580 -3.112 -3.524 127 HD12 ILE 14 1HD1 ILE 14 0.659 -1.556 -4.360 128 HD13 ILE 14 2HD1 ILE 14 1.015 -1.654 -2.636 129 H MET 15 H MET 15 4.121 -2.482 -7.978 130 HA MET 15 HA MET 15 4.114 -5.048 -9.231 131 HB2 MET 15 2HB MET 15 4.633 -2.326 -10.520 132 HB3 MET 15 1HB MET 15 4.172 -3.804 -11.363 133 HG2 MET 15 2HG MET 15 2.484 -2.296 -9.368 134 HG3 MET 15 1HG MET 15 2.274 -2.300 -11.115 135 HE1 MET 15 3HE MET 15 0.863 -5.806 -11.873 136 HE2 MET 15 1HE MET 15 2.526 -5.249 -12.071 137 HE3 MET 15 2HE MET 15 1.181 -4.179 -12.469 138 H GLU 16 H GLU 16 6.693 -2.685 -8.619 139 HA GLU 16 HA GLU 16 8.643 -3.779 -10.404 140 HB2 GLU 16 2HB GLU 16 9.011 -1.992 -7.967 141 HB3 GLU 16 1HB GLU 16 10.285 -2.377 -9.119 142 HG2 GLU 16 2HG GLU 16 9.046 -1.247 -10.897 143 HG3 GLU 16 1HG GLU 16 7.737 -0.876 -9.767 144 H ASP 17 H ASP 17 8.464 -3.810 -6.838 145 HA ASP 17 HA ASP 17 10.630 -5.763 -6.670 146 HB2 ASP 17 2HB ASP 17 10.734 -3.823 -5.168 147 HB3 ASP 17 1HB ASP 17 9.142 -4.196 -4.528 148 H LEU 18 H LEU 18 7.353 -5.402 -5.355 149 HA LEU 18 HA LEU 18 7.327 -7.836 -3.933 150 HB2 LEU 18 2HB LEU 18 5.087 -5.988 -4.795 151 HB3 LEU 18 1HB LEU 18 4.812 -7.389 -3.786 152 HG LEU 18 HG LEU 18 6.285 -6.388 -2.024 153 HD11 LEU 18 1HD1 LEU 18 7.729 -4.929 -3.383 154 HD12 LEU 18 2HD1 LEU 18 6.925 -4.013 -2.111 155 HD13 LEU 18 3HD1 LEU 18 6.342 -3.909 -3.771 156 HD21 LEU 18 3HD2 LEU 18 3.860 -6.082 -1.913 157 HD22 LEU 18 1HD2 LEU 18 3.989 -4.622 -2.899 158 HD23 LEU 18 2HD2 LEU 18 4.702 -4.666 -1.288 159 H ILE 19 H ILE 19 5.884 -6.979 -7.086 160 HA ILE 19 HA ILE 19 5.053 -9.687 -7.670 161 HB ILE 19 HB ILE 19 5.057 -7.145 -9.324 162 HG12 ILE 19 2HG1 ILE 19 2.603 -7.492 -9.437 163 HG13 ILE 19 1HG1 ILE 19 2.768 -8.972 -8.517 164 HG21 ILE 19 1HG2 ILE 19 5.689 -8.907 -10.894 165 HG22 ILE 19 2HG2 ILE 19 4.035 -8.383 -11.214 166 HG23 ILE 19 3HG2 ILE 19 4.329 -9.900 -10.361 167 HD11 ILE 19 3HD1 ILE 19 3.312 -6.192 -7.538 168 HD12 ILE 19 1HD1 ILE 19 3.528 -7.671 -6.594 169 HD13 ILE 19 2HD1 ILE 19 1.924 -7.210 -7.151 170 H GLY 20 H GLY 20 7.427 -7.479 -9.200 171 HA2 GLY 20 2HA GLY 20 9.773 -8.648 -9.233 172 HA3 GLY 20 1HA GLY 20 8.928 -9.810 -10.251 173 HA PRO 21 HA PRO 21 10.914 -6.246 -12.697 174 HB2 PRO 21 2HB PRO 21 12.373 -7.812 -14.454 175 HB3 PRO 21 1HB PRO 21 12.981 -7.333 -12.857 176 HG2 PRO 21 2HG PRO 21 11.685 -9.916 -13.673 177 HG3 PRO 21 1HG PRO 21 13.153 -9.645 -12.699 178 HD2 PRO 21 2HD PRO 21 10.795 -10.195 -11.517 179 HD3 PRO 21 1HD PRO 21 11.952 -9.060 -10.788 180 H SER 22 H SER 22 9.089 -9.088 -13.584 181 HA SER 22 HA SER 22 8.483 -8.273 -16.270 182 HB2 SER 22 2HB SER 22 6.736 -10.104 -16.112 183 HB3 SER 22 1HB SER 22 8.383 -10.635 -15.776 184 HG SER 22 HG SER 22 6.642 -11.326 -14.291 185 H ALA 23 H ALA 23 6.228 -8.736 -13.539 186 HA ALA 23 HA ALA 23 4.380 -7.736 -12.796 187 HB1 ALA 23 3HB ALA 23 5.837 -5.801 -12.431 188 HB2 ALA 23 1HB ALA 23 4.195 -5.291 -12.832 189 HB3 ALA 23 2HB ALA 23 5.474 -5.205 -14.051 190 H LYS 24 H LYS 24 2.276 -7.711 -13.411 191 HA LYS 24 HA LYS 24 1.646 -7.364 -16.287 192 HB2 LYS 24 2HB LYS 24 0.035 -8.852 -14.191 193 HB3 LYS 24 1HB LYS 24 -0.317 -8.766 -15.916 194 HG2 LYS 24 2HG LYS 24 1.925 -9.926 -16.290 195 HG3 LYS 24 1HG LYS 24 1.979 -10.183 -14.553 196 HD2 LYS 24 2HD LYS 24 -0.067 -11.293 -16.504 197 HD3 LYS 24 1HD LYS 24 1.169 -12.193 -15.632 198 HE2 LYS 24 2HE LYS 24 -0.663 -12.668 -14.320 199 HE3 LYS 24 1HE LYS 24 -0.092 -11.213 -13.509 200 HZ1 LYS 24 3HZ LYS 24 -2.239 -11.295 -15.554 201 HZ2 LYS 24 1HZ LYS 24 -1.728 -9.928 -14.699 202 HZ3 LYS 24 2HZ LYS 24 -2.477 -11.196 -13.881 203 H GLU 25 H GLU 25 1.023 -5.314 -16.553 204 HA GLU 25 HA GLU 25 0.092 -3.688 -14.347 205 HB2 GLU 25 2HB GLU 25 0.280 -2.703 -17.221 206 HB3 GLU 25 1HB GLU 25 0.395 -1.785 -15.725 207 HG2 GLU 25 2HG GLU 25 2.629 -1.832 -16.201 208 HG3 GLU 25 1HG GLU 25 2.543 -3.384 -15.366 209 H ASP 26 H ASP 26 -1.453 -5.677 -16.445 210 HA ASP 26 HA ASP 26 -3.683 -4.399 -17.467 211 HB2 ASP 26 2HB ASP 26 -3.533 -7.273 -16.454 212 HB3 ASP 26 1HB ASP 26 -4.690 -6.649 -17.621 213 H GLU 27 H GLU 27 -3.247 -5.995 -14.328 214 HA GLU 27 HA GLU 27 -5.964 -5.256 -13.448 215 HB2 GLU 27 2HB GLU 27 -5.302 -6.534 -11.350 216 HB3 GLU 27 1HB GLU 27 -5.436 -7.468 -12.830 217 HG2 GLU 27 2HG GLU 27 -2.696 -6.460 -12.230 218 HG3 GLU 27 1HG GLU 27 -3.340 -7.632 -11.088 219 H LEU 28 H LEU 28 -2.899 -3.845 -13.386 220 HA LEU 28 HA LEU 28 -2.869 -2.838 -10.744 221 HB2 LEU 28 2HB LEU 28 -0.871 -3.100 -12.267 222 HB3 LEU 28 1HB LEU 28 -1.414 -1.693 -13.156 223 HG LEU 28 HG LEU 28 0.470 -1.348 -11.417 224 HD11 LEU 28 1HD1 LEU 28 -0.736 0.588 -12.380 225 HD12 LEU 28 2HD1 LEU 28 -0.298 0.869 -10.696 226 HD13 LEU 28 3HD1 LEU 28 -1.959 0.448 -11.114 227 HD21 LEU 28 3HD2 LEU 28 -1.836 -1.564 -9.440 228 HD22 LEU 28 1HD2 LEU 28 -0.182 -1.081 -9.065 229 HD23 LEU 28 2HD2 LEU 28 -0.513 -2.724 -9.604 230 H ASP 29 H ASP 29 -4.290 -1.508 -9.974 231 HA ASP 29 HA ASP 29 -5.200 0.921 -11.267 232 HB2 ASP 29 2HB ASP 29 -6.705 -0.958 -12.123 233 HB3 ASP 29 1HB ASP 29 -7.177 -1.242 -10.448 234 H ASP 30 H ASP 30 -6.740 2.045 -9.678 235 HA ASP 30 HA ASP 30 -5.499 1.946 -7.070 236 HB2 ASP 30 2HB ASP 30 -6.617 4.049 -6.619 237 HB3 ASP 30 1HB ASP 30 -5.894 4.116 -8.220 238 H GLN 31 H GLN 31 -8.590 1.161 -8.479 239 HA GLN 31 HA GLN 31 -9.794 0.556 -5.863 240 HB2 GLN 31 2HB GLN 31 -10.984 0.838 -8.657 241 HB3 GLN 31 1HB GLN 31 -11.925 0.428 -7.221 242 HG2 GLN 31 2HG GLN 31 -11.606 2.553 -6.245 243 HG3 GLN 31 1HG GLN 31 -10.254 2.946 -7.301 244 HE21 GLN 31 1HE2 GLN 31 -10.668 3.668 -9.406 245 HE22 GLN 31 2HE2 GLN 31 -12.224 4.263 -9.877 246 H THR 32 H THR 32 -8.130 -1.113 -8.323 247 HA THR 32 HA THR 32 -9.491 -3.635 -8.228 248 HB THR 32 HB THR 32 -6.596 -2.995 -8.893 249 HG1 THR 32 HG1 THR 32 -7.304 -3.290 -10.994 250 HG21 THR 32 3HG2 THR 32 -6.429 -5.287 -9.847 251 HG22 THR 32 1HG2 THR 32 -8.023 -5.676 -9.192 252 HG23 THR 32 2HG2 THR 32 -6.677 -5.339 -8.100 253 HA PRO 33 HA PRO 33 -8.206 -4.594 -3.977 254 HB2 PRO 33 2HB PRO 33 -9.237 -7.174 -3.925 255 HB3 PRO 33 1HB PRO 33 -10.188 -5.708 -3.617 256 HG2 PRO 33 2HG PRO 33 -10.039 -7.369 -6.081 257 HG3 PRO 33 1HG PRO 33 -11.420 -6.505 -5.375 258 HD2 PRO 33 2HD PRO 33 -10.008 -5.570 -7.520 259 HD3 PRO 33 1HD PRO 33 -10.869 -4.513 -6.387 260 H LEU 34 H LEU 34 -6.086 -4.770 -3.928 261 HA LEU 34 HA LEU 34 -4.485 -6.234 -5.723 262 HB2 LEU 34 2HB LEU 34 -3.710 -4.986 -3.063 263 HB3 LEU 34 1HB LEU 34 -2.615 -5.404 -4.370 264 HG LEU 34 HG LEU 34 -4.768 -3.252 -4.545 265 HD11 LEU 34 1HD1 LEU 34 -3.020 -2.580 -2.974 266 HD12 LEU 34 2HD1 LEU 34 -2.935 -1.624 -4.452 267 HD13 LEU 34 3HD1 LEU 34 -1.777 -2.929 -4.180 268 HD21 LEU 34 3HD2 LEU 34 -3.625 -2.570 -6.636 269 HD22 LEU 34 1HD2 LEU 34 -4.279 -4.203 -6.752 270 HD23 LEU 34 2HD2 LEU 34 -2.550 -3.963 -6.500 271 H LEU 35 H LEU 35 -5.472 -6.841 -2.354 272 HA LEU 35 HA LEU 35 -3.953 -9.158 -1.808 273 HB2 LEU 35 2HB LEU 35 -6.746 -8.401 -0.892 274 HB3 LEU 35 1HB LEU 35 -5.819 -9.728 -0.204 275 HG LEU 35 HG LEU 35 -4.925 -6.825 -0.097 276 HD11 LEU 35 1HD1 LEU 35 -6.320 -8.472 2.027 277 HD12 LEU 35 2HD1 LEU 35 -7.033 -7.131 1.128 278 HD13 LEU 35 3HD1 LEU 35 -5.685 -6.836 2.222 279 HD21 LEU 35 3HD2 LEU 35 -3.095 -8.493 0.113 280 HD22 LEU 35 1HD2 LEU 35 -3.957 -9.257 1.450 281 HD23 LEU 35 2HD2 LEU 35 -3.358 -7.603 1.610 282 H GLU 36 H GLU 36 -7.174 -8.767 -3.215 283 HA GLU 36 HA GLU 36 -7.814 -11.548 -3.219 284 HB2 GLU 36 2HB GLU 36 -9.196 -9.369 -4.811 285 HB3 GLU 36 1HB GLU 36 -9.881 -10.897 -4.270 286 HG2 GLU 36 2HG GLU 36 -9.087 -8.559 -2.512 287 HG3 GLU 36 1HG GLU 36 -10.722 -9.020 -2.945 288 H TRP 37 H TRP 37 -6.253 -9.391 -5.465 289 HA TRP 37 HA TRP 37 -6.416 -11.383 -7.667 290 HB2 TRP 37 2HB TRP 37 -5.495 -8.486 -7.640 291 HB3 TRP 37 1HB TRP 37 -5.380 -9.526 -9.053 292 HD1 TRP 37 HD1 TRP 37 -8.371 -8.812 -6.635 293 HE1 TRP 37 HE1 TRP 37 -10.397 -8.132 -8.022 294 HE3 TRP 37 HE3 TRP 37 -6.281 -9.060 -11.289 295 HZ2 TRP 37 HZ2 TRP 37 -11.069 -7.742 -10.738 296 HZ3 TRP 37 HZ3 TRP 37 -7.689 -8.523 -13.236 297 HH2 TRP 37 HH2 TRP 37 -10.032 -7.880 -12.969 298 H GLY 38 H GLY 38 -4.630 -11.373 -5.085 299 HA2 GLY 38 2HA GLY 38 -2.689 -12.447 -4.546 300 HA3 GLY 38 1HA GLY 38 -2.595 -12.993 -6.211 301 H ILE 39 H ILE 39 -2.656 -9.623 -5.491 302 HA ILE 39 HA ILE 39 -0.028 -9.170 -6.685 303 HB ILE 39 HB ILE 39 -2.200 -7.240 -5.716 304 HG12 ILE 39 2HG1 ILE 39 -1.526 -8.110 -8.560 305 HG13 ILE 39 1HG1 ILE 39 -2.914 -8.669 -7.638 306 HG21 ILE 39 1HG2 ILE 39 -1.050 -5.456 -6.937 307 HG22 ILE 39 2HG2 ILE 39 0.233 -6.577 -7.393 308 HG23 ILE 39 3HG2 ILE 39 0.003 -6.146 -5.699 309 HD11 ILE 39 3HD1 ILE 39 -3.612 -7.024 -9.217 310 HD12 ILE 39 1HD1 ILE 39 -2.405 -5.875 -8.641 311 HD13 ILE 39 2HD1 ILE 39 -3.756 -6.334 -7.601 312 H LEU 40 H LEU 40 -1.697 -9.024 -3.589 313 HA LEU 40 HA LEU 40 0.818 -8.348 -2.192 314 HB2 LEU 40 2HB LEU 40 -2.033 -8.073 -1.187 315 HB3 LEU 40 1HB LEU 40 -0.580 -7.634 -0.290 316 HG LEU 40 HG LEU 40 -1.575 -6.287 -2.837 317 HD11 LEU 40 1HD1 LEU 40 -2.979 -5.741 -0.934 318 HD12 LEU 40 2HD1 LEU 40 -2.003 -4.344 -1.389 319 HD13 LEU 40 3HD1 LEU 40 -1.560 -5.300 0.028 320 HD21 LEU 40 3HD2 LEU 40 0.860 -6.261 -2.768 321 HD22 LEU 40 1HD2 LEU 40 0.835 -5.635 -1.115 322 HD23 LEU 40 2HD2 LEU 40 0.230 -4.648 -2.448 323 H ASN 41 H ASN 41 1.029 -9.288 -0.058 324 HA ASN 41 HA ASN 41 -0.077 -11.781 0.743 325 HB2 ASN 41 2HB ASN 41 1.232 -12.610 -1.220 326 HB3 ASN 41 1HB ASN 41 2.687 -11.844 -0.600 327 HD21 ASN 41 1HD2 ASN 41 3.757 -12.789 1.168 328 HD22 ASN 41 2HD2 ASN 41 3.436 -14.406 1.697 329 H SER 42 H SER 42 1.029 -12.481 2.791 330 HA SER 42 HA SER 42 1.488 -10.443 4.582 331 HB2 SER 42 3HB SER 42 2.174 -13.375 4.620 332 HB3 SER 42 2HB SER 42 2.883 -12.381 5.890 333 H MET 43 H MET 43 4.079 -12.310 2.985 334 HA MET 43 HA MET 43 6.195 -10.956 4.351 335 HB2 MET 43 2HB MET 43 6.359 -12.679 1.869 336 HB3 MET 43 1HB MET 43 7.718 -12.215 2.885 337 HG2 MET 43 2HG MET 43 5.393 -13.963 3.744 338 HG3 MET 43 1HG MET 43 6.985 -14.544 3.281 339 HE1 MET 43 3HE MET 43 4.724 -13.604 6.249 340 HE2 MET 43 1HE MET 43 5.258 -11.969 5.842 341 HE3 MET 43 2HE MET 43 5.782 -12.726 7.350 342 H ASN 44 H ASN 44 4.514 -10.275 1.366 343 HA ASN 44 HA ASN 44 6.581 -8.359 0.531 344 HB2 ASN 44 2HB ASN 44 5.458 -8.119 -1.549 345 HB3 ASN 44 1HB ASN 44 5.475 -9.827 -1.175 346 HD21 ASN 44 1HD2 ASN 44 3.803 -10.251 -2.632 347 HD22 ASN 44 2HD2 ASN 44 2.177 -9.765 -2.371 348 H ILE 45 H ILE 45 3.652 -8.430 2.254 349 HA ILE 45 HA ILE 45 2.772 -5.750 2.002 350 HB ILE 45 HB ILE 45 2.095 -8.127 3.613 351 HG12 ILE 45 2HG1 ILE 45 0.408 -5.788 2.655 352 HG13 ILE 45 1HG1 ILE 45 0.671 -7.293 1.781 353 HG21 ILE 45 1HG2 ILE 45 2.765 -6.728 5.528 354 HG22 ILE 45 2HG2 ILE 45 1.027 -7.058 5.535 355 HG23 ILE 45 3HG2 ILE 45 1.620 -5.482 5.009 356 HD11 ILE 45 3HD1 ILE 45 -1.489 -7.330 2.786 357 HD12 ILE 45 1HD1 ILE 45 -0.819 -6.922 4.367 358 HD13 ILE 45 2HD1 ILE 45 -0.462 -8.492 3.634 359 H VAL 46 H VAL 46 5.205 -7.303 3.915 360 HA VAL 46 HA VAL 46 5.612 -5.332 5.912 361 HB VAL 46 HB VAL 46 7.624 -7.347 4.855 362 HG11 VAL 46 1HG1 VAL 46 8.598 -7.199 7.128 363 HG12 VAL 46 2HG1 VAL 46 7.401 -5.971 7.550 364 HG13 VAL 46 3HG1 VAL 46 8.614 -5.634 6.313 365 HG21 VAL 46 3HG2 VAL 46 6.828 -8.882 6.623 366 HG22 VAL 46 1HG2 VAL 46 5.542 -8.508 5.474 367 HG23 VAL 46 2HG2 VAL 46 5.562 -7.731 7.058 368 H LYS 47 H LYS 47 6.583 -5.582 2.601 369 HA LYS 47 HA LYS 47 8.760 -3.764 2.527 370 HB2 LYS 47 2HB LYS 47 6.807 -4.726 0.416 371 HB3 LYS 47 1HB LYS 47 8.005 -3.496 0.046 372 HG2 LYS 47 2HG LYS 47 8.780 -5.665 -0.693 373 HG3 LYS 47 1HG LYS 47 9.810 -5.057 0.604 374 HD2 LYS 47 2HD LYS 47 8.729 -6.542 2.211 375 HD3 LYS 47 1HD LYS 47 7.580 -7.076 0.986 376 HE2 LYS 47 2HE LYS 47 9.286 -8.767 1.275 377 HE3 LYS 47 1HE LYS 47 9.470 -8.032 -0.319 378 HZ1 LYS 47 3HZ LYS 47 11.595 -8.261 0.667 379 HZ2 LYS 47 1HZ LYS 47 11.101 -7.497 2.094 380 HZ3 LYS 47 2HZ LYS 47 11.221 -6.618 0.654 381 H LEU 48 H LEU 48 5.243 -3.349 2.365 382 HA LEU 48 HA LEU 48 5.256 -0.577 1.685 383 HB2 LEU 48 2HB LEU 48 3.081 -2.239 3.023 384 HB3 LEU 48 1HB LEU 48 2.876 -0.555 2.564 385 HG LEU 48 HG LEU 48 1.837 -1.769 0.833 386 HD11 LEU 48 1HD1 LEU 48 3.268 0.033 -0.056 387 HD12 LEU 48 2HD1 LEU 48 3.147 -1.300 -1.200 388 HD13 LEU 48 3HD1 LEU 48 4.613 -1.102 -0.238 389 HD21 LEU 48 3HD2 LEU 48 2.701 -4.011 1.347 390 HD22 LEU 48 1HD2 LEU 48 4.253 -3.590 0.617 391 HD23 LEU 48 2HD2 LEU 48 2.796 -3.664 -0.377 392 H MET 49 H MET 49 5.500 -2.290 4.733 393 HA MET 49 HA MET 49 4.819 -0.174 6.503 394 HB2 MET 49 2HB MET 49 6.775 -2.436 7.083 395 HB3 MET 49 1HB MET 49 5.900 -1.474 8.265 396 HG2 MET 49 2HG MET 49 3.805 -2.491 7.625 397 HG3 MET 49 1HG MET 49 4.591 -3.355 6.295 398 HE1 MET 49 3HE MET 49 3.959 -6.396 8.651 399 HE2 MET 49 1HE MET 49 3.936 -5.819 6.985 400 HE3 MET 49 2HE MET 49 2.873 -5.088 8.186 401 H VAL 50 H VAL 50 7.988 -1.362 5.361 402 HA VAL 50 HA VAL 50 9.503 0.759 6.570 403 HB VAL 50 HB VAL 50 10.498 -1.476 6.122 404 HG11 VAL 50 1HG1 VAL 50 10.410 -0.697 3.178 405 HG12 VAL 50 2HG1 VAL 50 9.493 -2.000 3.944 406 HG13 VAL 50 3HG1 VAL 50 11.251 -2.102 3.845 407 HG21 VAL 50 3HG2 VAL 50 12.705 -0.709 5.310 408 HG22 VAL 50 1HG2 VAL 50 12.007 0.441 6.455 409 HG23 VAL 50 2HG2 VAL 50 11.973 0.786 4.725 410 H TYR 51 H TYR 51 7.956 0.300 3.460 411 HA TYR 51 HA TYR 51 9.292 2.228 1.893 412 HB2 TYR 51 2HB TYR 51 7.641 0.531 1.008 413 HB3 TYR 51 1HB TYR 51 6.347 1.469 1.724 414 HD1 TYR 51 HD1 TYR 51 9.105 1.673 -0.797 415 HD2 TYR 51 HD2 TYR 51 5.391 3.303 0.539 416 HE1 TYR 51 HE1 TYR 51 8.945 2.999 -2.865 417 HE2 TYR 51 HE2 TYR 51 5.228 4.621 -1.523 418 HH TYR 51 HH TYR 51 6.898 4.084 -4.240 419 H ILE 52 H ILE 52 6.216 2.461 3.564 420 HA ILE 52 HA ILE 52 5.771 5.232 3.138 421 HB ILE 52 HB ILE 52 4.498 3.265 5.089 422 HG12 ILE 52 2HG1 ILE 52 3.423 4.119 2.369 423 HG13 ILE 52 1HG1 ILE 52 4.450 2.704 2.563 424 HG21 ILE 52 1HG2 ILE 52 2.578 4.769 5.176 425 HG22 ILE 52 2HG2 ILE 52 3.387 5.897 4.091 426 HG23 ILE 52 3HG2 ILE 52 4.031 5.616 5.704 427 HD11 ILE 52 3HD1 ILE 52 1.750 3.126 3.825 428 HD12 ILE 52 1HD1 ILE 52 2.791 1.714 4.051 429 HD13 ILE 52 2HD1 ILE 52 2.137 2.081 2.456 430 H ARG 53 H ARG 53 7.286 3.375 5.715 431 HA ARG 53 HA ARG 53 7.583 5.366 7.673 432 HB2 ARG 53 2HB ARG 53 8.085 3.057 8.222 433 HB3 ARG 53 1HB ARG 53 9.323 2.975 6.969 434 HG2 ARG 53 2HG ARG 53 10.352 3.119 9.178 435 HG3 ARG 53 1HG ARG 53 10.728 4.550 8.220 436 HD2 ARG 53 2HD ARG 53 8.698 5.639 9.468 437 HD3 ARG 53 1HD ARG 53 8.887 4.301 10.609 438 HE ARG 53 HE ARG 53 11.387 5.223 10.520 439 HH11 ARG 53 1HH1 ARG 53 8.373 7.001 10.840 440 HH12 ARG 53 2HH1 ARG 53 9.103 8.301 11.731 441 HH21 ARG 53 1HH2 ARG 53 12.325 6.920 11.660 442 HH22 ARG 53 2HH2 ARG 53 11.349 8.252 12.198 443 H ASP 54 H ASP 54 9.731 4.525 4.946 444 HA ASP 54 HA ASP 54 11.675 6.606 5.465 445 HB2 ASP 54 2HB ASP 54 12.351 4.519 4.371 446 HB3 ASP 54 1HB ASP 54 11.190 4.766 3.073 447 H GLU 55 H GLU 55 8.822 6.250 3.503 448 HA GLU 55 HA GLU 55 9.279 8.442 1.702 449 HB2 GLU 55 2HB GLU 55 7.986 6.448 1.060 450 HB3 GLU 55 1HB GLU 55 6.814 6.770 2.326 451 HG2 GLU 55 2HG GLU 55 5.923 7.355 0.144 452 HG3 GLU 55 1HG GLU 55 6.057 8.776 1.170 453 H MET 56 H MET 56 6.829 7.904 4.223 454 HA MET 56 HA MET 56 6.291 10.815 4.359 455 HB2 MET 56 2HB MET 56 4.458 8.402 4.537 456 HB3 MET 56 1HB MET 56 3.953 9.976 5.137 457 HG2 MET 56 2HG MET 56 4.029 10.943 2.976 458 HG3 MET 56 1HG MET 56 4.896 9.568 2.292 459 HE1 MET 56 3HE MET 56 3.810 7.533 1.266 460 HE2 MET 56 1HE MET 56 2.255 6.882 1.782 461 HE3 MET 56 2HE MET 56 3.592 6.976 2.927 462 H GLY 57 H GLY 57 7.848 8.561 6.081 463 HA2 GLY 57 2HA GLY 57 8.707 8.650 8.203 464 HA3 GLY 57 1HA GLY 57 7.797 10.126 8.484 465 H VAL 58 H VAL 58 5.999 7.325 7.465 466 HA VAL 58 HA VAL 58 5.135 6.816 10.259 467 HB VAL 58 HB VAL 58 3.494 8.414 9.427 468 HG11 VAL 58 1HG1 VAL 58 3.074 6.618 7.021 469 HG12 VAL 58 2HG1 VAL 58 3.836 8.208 6.994 470 HG13 VAL 58 3HG1 VAL 58 2.124 8.053 7.399 471 HG21 VAL 58 3HG2 VAL 58 2.293 5.638 9.304 472 HG22 VAL 58 1HG2 VAL 58 1.405 7.133 9.614 473 HG23 VAL 58 2HG2 VAL 58 2.605 6.555 10.777 474 H SER 59 H SER 59 5.337 4.663 10.635 475 HA SER 59 HA SER 59 4.841 2.731 8.458 476 HB2 SER 59 2HB SER 59 6.972 2.432 9.693 477 HB3 SER 59 1HB SER 59 6.087 2.316 11.214 478 HG SER 59 HG SER 59 5.119 0.413 10.457 479 H ILE 60 H ILE 60 3.161 1.282 8.625 480 HA ILE 60 HA ILE 60 0.987 1.818 10.421 481 HB ILE 60 HB ILE 60 1.314 -0.666 8.680 482 HG12 ILE 60 2HG1 ILE 60 0.246 2.080 7.970 483 HG13 ILE 60 1HG1 ILE 60 1.384 1.085 7.074 484 HG21 ILE 60 1HG2 ILE 60 -1.186 0.590 9.883 485 HG22 ILE 60 2HG2 ILE 60 -0.369 -0.850 10.490 486 HG23 ILE 60 3HG2 ILE 60 -1.127 -0.878 8.901 487 HD11 ILE 60 3HD1 ILE 60 -0.801 1.226 5.997 488 HD12 ILE 60 1HD1 ILE 60 -1.552 0.496 7.421 489 HD13 ILE 60 2HD1 ILE 60 -0.394 -0.428 6.455 490 HA PRO 61 HA PRO 61 2.579 -0.872 13.766 491 HB2 PRO 61 2HB PRO 61 0.146 -1.038 15.168 492 HB3 PRO 61 1HB PRO 61 1.330 0.268 15.358 493 HG2 PRO 61 2HG PRO 61 -1.167 0.226 13.721 494 HG3 PRO 61 1HG PRO 61 -0.488 1.533 14.714 495 HD2 PRO 61 2HD PRO 61 -0.242 1.540 12.035 496 HD3 PRO 61 1HD PRO 61 1.054 2.161 13.082 497 H SER 62 H SER 62 2.333 -3.069 14.375 498 HA SER 62 HA SER 62 1.731 -4.736 12.185 499 HB2 SER 62 2HB SER 62 2.368 -6.569 13.823 500 HB3 SER 62 1HB SER 62 3.552 -5.276 13.639 501 HG SER 62 HG SER 62 2.720 -6.079 15.872 502 H THR 63 H THR 63 -0.137 -3.875 14.991 503 HA THR 63 HA THR 63 -2.127 -5.915 14.839 504 HB THR 63 HB THR 63 -1.733 -4.691 16.910 505 HG1 THR 63 HG1 THR 63 -4.344 -4.219 15.853 506 HG21 THR 63 3HG2 THR 63 -2.384 -2.336 17.208 507 HG22 THR 63 1HG2 THR 63 -2.806 -2.216 15.501 508 HG23 THR 63 2HG2 THR 63 -1.127 -2.478 15.979 509 H HIS 64 H HIS 64 -1.682 -2.830 13.265 510 HA HIS 64 HA HIS 64 -4.401 -2.666 12.183 511 HB2 HIS 64 2HB HIS 64 -3.014 -0.684 13.074 512 HB3 HIS 64 1HB HIS 64 -2.038 -0.839 11.625 513 HD1 HIS 64 HD1 HIS 64 -5.134 0.642 12.927 514 HD2 HIS 64 HD2 HIS 64 -3.465 -0.118 9.204 515 HE1 HIS 64 HE1 HIS 64 -6.394 2.096 11.324 516 HE2 HIS 64 HE2 HIS 64 -5.483 1.485 9.052 517 H ILE 65 H ILE 65 -1.635 -4.358 11.401 518 HA ILE 65 HA ILE 65 -1.836 -4.197 8.520 519 HB ILE 65 HB ILE 65 -0.375 -6.287 10.184 520 HG12 ILE 65 2HG1 ILE 65 0.458 -4.012 10.706 521 HG13 ILE 65 1HG1 ILE 65 1.667 -4.956 9.843 522 HG21 ILE 65 1HG2 ILE 65 0.949 -6.651 8.116 523 HG22 ILE 65 2HG2 ILE 65 -0.081 -5.497 7.264 524 HG23 ILE 65 3HG2 ILE 65 -0.763 -7.003 7.880 525 HD11 ILE 65 3HD1 ILE 65 1.538 -2.635 9.103 526 HD12 ILE 65 1HD1 ILE 65 -0.132 -2.893 8.589 527 HD13 ILE 65 2HD1 ILE 65 1.182 -3.773 7.796 528 H THR 66 H THR 66 -3.877 -4.789 7.923 529 HA THR 66 HA THR 66 -4.517 -7.598 8.037 530 HB THR 66 HB THR 66 -5.559 -6.931 10.104 531 HG1 THR 66 HG1 THR 66 -7.128 -8.163 9.459 532 HG21 THR 66 3HG2 THR 66 -7.213 -5.135 10.297 533 HG22 THR 66 1HG2 THR 66 -6.986 -4.719 8.594 534 HG23 THR 66 2HG2 THR 66 -5.663 -4.495 9.743 535 H GLY 67 H GLY 67 -6.668 -7.989 6.837 536 HA2 GLY 67 2HA GLY 67 -6.211 -7.366 4.174 537 HA3 GLY 67 1HA GLY 67 -7.666 -8.095 4.805 538 H LYS 68 H LYS 68 -8.608 -5.923 6.384 539 HA LYS 68 HA LYS 68 -10.132 -4.574 4.443 540 HB2 LYS 68 2HB LYS 68 -11.009 -3.235 6.337 541 HB3 LYS 68 1HB LYS 68 -11.016 -4.965 6.641 542 HG2 LYS 68 2HG LYS 68 -8.963 -4.722 8.015 543 HG3 LYS 68 1HG LYS 68 -8.999 -2.982 7.729 544 HD2 LYS 68 2HD LYS 68 -9.931 -3.353 9.912 545 HD3 LYS 68 1HD LYS 68 -11.270 -2.927 8.848 546 HE2 LYS 68 2HE LYS 68 -10.565 -5.794 9.560 547 HE3 LYS 68 1HE LYS 68 -11.715 -4.831 10.481 548 HZ1 LYS 68 3HZ LYS 68 -12.940 -4.548 8.301 549 HZ2 LYS 68 1HZ LYS 68 -12.976 -6.096 8.987 550 HZ3 LYS 68 2HZ LYS 68 -11.953 -5.776 7.688 551 H TYR 69 H TYR 69 -7.147 -3.607 6.016 552 HA TYR 69 HA TYR 69 -7.317 -0.846 5.017 553 HB2 TYR 69 2HB TYR 69 -5.295 -2.212 6.830 554 HB3 TYR 69 1HB TYR 69 -5.220 -0.513 6.356 555 HD1 TYR 69 HD2 TYR 69 -7.715 0.700 6.721 556 HD2 TYR 69 HD1 TYR 69 -6.140 -2.537 9.024 557 HE1 TYR 69 HE2 TYR 69 -9.198 1.298 8.570 558 HE2 TYR 69 HE1 TYR 69 -7.645 -1.939 10.877 559 HH TYR 69 HH TYR 69 -10.233 0.215 10.518 560 H PHE 70 H PHE 70 -6.125 -3.819 3.980 561 HA PHE 70 HA PHE 70 -4.218 -2.536 2.102 562 HB2 PHE 70 2HB PHE 70 -4.063 -5.245 3.473 563 HB3 PHE 70 1HB PHE 70 -3.132 -4.886 2.023 564 HD1 PHE 70 HD1 PHE 70 -1.376 -3.099 2.058 565 HD2 PHE 70 HD2 PHE 70 -3.346 -4.360 5.638 566 HE1 PHE 70 HE1 PHE 70 0.412 -2.083 3.404 567 HE2 PHE 70 HE2 PHE 70 -1.552 -3.344 6.970 568 HZ PHE 70 HZ PHE 70 0.327 -2.204 5.855 569 H LYS 71 H LYS 71 -7.244 -3.427 2.021 570 HA LYS 71 HA LYS 71 -7.703 -5.494 0.255 571 HB2 LYS 71 2HB LYS 71 -9.128 -2.837 0.495 572 HB3 LYS 71 1HB LYS 71 -9.709 -4.110 -0.577 573 HG2 LYS 71 2HG LYS 71 -10.051 -5.600 1.320 574 HG3 LYS 71 1HG LYS 71 -9.370 -4.391 2.419 575 HD2 LYS 71 2HD LYS 71 -11.837 -4.401 2.473 576 HD3 LYS 71 1HD LYS 71 -11.202 -2.851 1.918 577 HE2 LYS 71 2HE LYS 71 -11.650 -3.590 -0.444 578 HE3 LYS 71 1HE LYS 71 -12.393 -5.056 0.193 579 HZ1 LYS 71 3HZ LYS 71 -14.036 -3.393 -0.359 580 HZ2 LYS 71 1HZ LYS 71 -13.311 -2.279 0.684 581 HZ3 LYS 71 2HZ LYS 71 -14.042 -3.669 1.313 582 H ASP 72 H ASP 72 -7.195 -2.116 -0.586 583 HA ASP 72 HA ASP 72 -5.973 -2.630 -3.153 584 HB2 ASP 72 2HB ASP 72 -7.682 -1.392 -4.471 585 HB3 ASP 72 1HB ASP 72 -8.368 -2.842 -3.761 586 H LEU 73 H LEU 73 -6.129 -0.073 -4.229 587 HA LEU 73 HA LEU 73 -4.378 1.299 -2.424 588 HB2 LEU 73 2HB LEU 73 -3.988 1.478 -4.846 589 HB3 LEU 73 1HB LEU 73 -5.519 2.322 -5.038 590 HG LEU 73 HG LEU 73 -4.648 4.185 -3.593 591 HD11 LEU 73 1HD1 LEU 73 -3.028 2.934 -2.257 592 HD12 LEU 73 2HD1 LEU 73 -2.236 4.281 -3.068 593 HD13 LEU 73 3HD1 LEU 73 -2.033 2.643 -3.689 594 HD21 LEU 73 3HD2 LEU 73 -2.925 3.583 -6.019 595 HD22 LEU 73 1HD2 LEU 73 -3.120 5.161 -5.253 596 HD23 LEU 73 2HD2 LEU 73 -4.495 4.387 -6.036 597 H ASN 74 H ASN 74 -7.832 1.694 -3.258 598 HA ASN 74 HA ASN 74 -8.121 4.260 -1.994 599 HB2 ASN 74 2HB ASN 74 -10.201 2.126 -2.607 600 HB3 ASN 74 1HB ASN 74 -10.612 3.673 -1.881 601 HD21 ASN 74 1HD2 ASN 74 -8.228 3.117 -4.471 602 HD22 ASN 74 2HD2 ASN 74 -9.095 3.999 -5.670 603 H ALA 75 H ALA 75 -8.192 0.957 -0.809 604 HA ALA 75 HA ALA 75 -9.010 1.536 1.864 605 HB1 ALA 75 3HB ALA 75 -9.131 -0.741 0.944 606 HB2 ALA 75 1HB ALA 75 -8.132 -0.704 2.401 607 HB3 ALA 75 2HB ALA 75 -7.373 -0.789 0.809 608 H ILE 76 H ILE 76 -5.820 1.017 0.374 609 HA ILE 76 HA ILE 76 -4.208 1.502 2.662 610 HB ILE 76 HB ILE 76 -3.544 1.512 -0.310 611 HG12 ILE 76 2HG1 ILE 76 -2.966 -0.511 1.890 612 HG13 ILE 76 1HG1 ILE 76 -4.204 -0.689 0.652 613 HG21 ILE 76 1HG2 ILE 76 -1.137 1.467 0.280 614 HG22 ILE 76 2HG2 ILE 76 -1.550 1.682 1.981 615 HG23 ILE 76 3HG2 ILE 76 -1.892 2.968 0.824 616 HD11 ILE 76 3HD1 ILE 76 -2.415 -0.775 -1.055 617 HD12 ILE 76 1HD1 ILE 76 -2.309 -2.061 0.151 618 HD13 ILE 76 2HD1 ILE 76 -1.219 -0.678 0.247 619 H SER 77 H SER 77 -5.568 3.657 0.264 620 HA SER 77 HA SER 77 -3.793 5.859 0.727 621 HB2 SER 77 2HB SER 77 -5.488 7.175 -0.592 622 HB3 SER 77 1HB SER 77 -4.974 5.700 -1.411 623 HG SER 77 HG SER 77 -7.425 6.294 -0.181 624 H ARG 78 H ARG 78 -7.073 5.029 1.756 625 HA ARG 78 HA ARG 78 -7.446 7.288 3.452 626 HB2 ARG 78 2HB ARG 78 -8.811 4.598 3.213 627 HB3 ARG 78 1HB ARG 78 -9.258 5.712 4.501 628 HG2 ARG 78 2HG ARG 78 -9.397 6.321 1.532 629 HG3 ARG 78 1HG ARG 78 -10.768 5.905 2.564 630 HD2 ARG 78 2HD ARG 78 -10.308 7.929 3.947 631 HD3 ARG 78 1HD ARG 78 -8.986 8.351 2.853 632 HE ARG 78 HE ARG 78 -11.512 8.020 1.525 633 HH11 ARG 78 1HH1 ARG 78 -9.518 10.349 3.259 634 HH12 ARG 78 2HH1 ARG 78 -10.315 11.717 2.559 635 HH21 ARG 78 1HH2 ARG 78 -12.539 9.812 0.641 636 HH22 ARG 78 2HH2 ARG 78 -12.032 11.412 1.069 637 H THR 79 H THR 79 -6.009 4.140 3.947 638 HA THR 79 HA THR 79 -5.812 4.297 6.793 639 HB THR 79 HB THR 79 -4.243 2.607 4.804 640 HG1 THR 79 HG1 THR 79 -6.052 1.535 4.740 641 HG21 THR 79 3HG2 THR 79 -4.498 2.295 7.820 642 HG22 THR 79 1HG2 THR 79 -3.025 2.739 6.953 643 HG23 THR 79 2HG2 THR 79 -3.731 1.135 6.736 644 H VAL 80 H VAL 80 -3.629 5.091 4.131 645 HA VAL 80 HA VAL 80 -1.339 5.483 5.834 646 HB VAL 80 HB VAL 80 -1.269 4.604 3.428 647 HG11 VAL 80 1HG1 VAL 80 -1.592 7.527 2.672 648 HG12 VAL 80 2HG1 VAL 80 -2.747 6.235 2.345 649 HG13 VAL 80 3HG1 VAL 80 -1.160 6.214 1.575 650 HG21 VAL 80 3HG2 VAL 80 0.759 5.276 4.609 651 HG22 VAL 80 1HG2 VAL 80 0.545 6.941 4.068 652 HG23 VAL 80 2HG2 VAL 80 0.875 5.665 2.891 653 H GLU 81 H GLU 81 -3.843 7.501 4.392 654 HA GLU 81 HA GLU 81 -2.501 10.004 4.998 655 HB2 GLU 81 2HB GLU 81 -4.482 11.121 4.194 656 HB3 GLU 81 1HB GLU 81 -4.142 9.781 3.100 657 HG2 GLU 81 2HG GLU 81 -5.892 8.434 4.195 658 HG3 GLU 81 1HG GLU 81 -6.235 9.766 5.293 659 H GLN 82 H GLN 82 -4.946 7.915 6.507 660 HA GLN 82 HA GLN 82 -5.774 9.783 8.475 661 HB2 GLN 82 2HB GLN 82 -7.079 8.118 9.500 662 HB3 GLN 82 1HB GLN 82 -7.042 7.625 7.813 663 HG2 GLN 82 2HG GLN 82 -5.474 5.856 8.270 664 HG3 GLN 82 1HG GLN 82 -5.190 6.439 9.906 665 HE21 GLN 82 1HE2 GLN 82 -5.731 4.497 10.875 666 HE22 GLN 82 2HE2 GLN 82 -7.347 3.885 10.917 667 H LEU 83 H LEU 83 -3.258 7.289 8.413 668 HA LEU 83 HA LEU 83 -2.613 7.331 11.174 669 HB2 LEU 83 2HB LEU 83 -0.910 6.585 8.783 670 HB3 LEU 83 1HB LEU 83 -0.427 6.310 10.451 671 HG LEU 83 HG LEU 83 -2.848 5.032 9.117 672 HD11 LEU 83 1HD1 LEU 83 -1.515 2.966 9.177 673 HD12 LEU 83 2HD1 LEU 83 -0.127 3.880 9.774 674 HD13 LEU 83 3HD1 LEU 83 -0.772 4.200 8.160 675 HD21 LEU 83 3HD2 LEU 83 -3.194 5.287 11.533 676 HD22 LEU 83 1HD2 LEU 83 -1.620 4.554 11.856 677 HD23 LEU 83 2HD2 LEU 83 -2.913 3.594 11.134 678 H LYS 84 H LYS 84 -1.327 9.237 8.465 679 HA LYS 84 HA LYS 84 0.634 10.654 9.965 680 HB2 LYS 84 2HB LYS 84 -0.862 11.560 7.465 681 HB3 LYS 84 1HB LYS 84 0.586 12.322 8.113 682 HG2 LYS 84 2HG LYS 84 1.834 10.210 7.704 683 HG3 LYS 84 1HG LYS 84 0.380 9.526 6.981 684 HD2 LYS 84 2HD LYS 84 1.792 12.013 5.933 685 HD3 LYS 84 1HD LYS 84 2.067 10.385 5.321 686 HE2 LYS 84 2HE LYS 84 0.545 11.404 3.803 687 HE3 LYS 84 1HE LYS 84 -0.414 10.289 4.770 688 HZ1 LYS 84 3HZ LYS 84 -1.487 12.462 4.402 689 HZ2 LYS 84 1HZ LYS 84 -0.244 13.220 5.265 690 HZ3 LYS 84 2HZ LYS 84 -1.266 12.124 6.044 691 H ALA 85 H ALA 85 -2.817 11.168 9.373 692 HA ALA 85 HA ALA 85 -3.049 13.697 10.702 693 HB1 ALA 85 3HB ALA 85 -5.193 11.612 10.161 694 HB2 ALA 85 1HB ALA 85 -4.694 12.882 9.033 695 HB3 ALA 85 2HB ALA 85 -5.456 13.314 10.562 696 H GLU 86 H GLU 86 -3.231 10.346 11.787 697 HA GLU 86 HA GLU 86 -4.433 10.882 14.349 698 HB2 GLU 86 2HB GLU 86 -3.026 8.367 13.343 699 HB3 GLU 86 1HB GLU 86 -3.961 8.482 14.826 700 HG2 GLU 86 2HG GLU 86 -5.027 8.753 12.015 701 HG3 GLU 86 1HG GLU 86 -5.217 7.365 13.055 702 H SER 87 H SER 87 -1.192 10.395 13.077 703 HA SER 87 HA SER 87 0.154 10.391 15.630 704 HB2 SER 87 2HB SER 87 1.219 10.724 12.792 705 HB3 SER 87 1HB SER 87 2.220 10.481 14.228 706 HG SER 87 HG SER 87 0.673 8.683 12.808 707 H ALA 88 H ALA 88 -0.404 12.785 13.036 708 HA ALA 88 HA ALA 88 1.118 14.868 14.440 709 HB1 ALA 88 3HB ALA 88 0.810 16.192 12.392 710 HB2 ALA 88 1HB ALA 88 -0.257 14.948 11.730 711 HB3 ALA 88 2HB ALA 88 1.447 14.593 12.015 712 H LEU 89 H LEU 89 -0.031 17.163 13.965 713 HA LEU 89 HA LEU 89 -2.385 17.156 15.694 714 HB2 LEU 89 2HB LEU 89 -1.997 19.674 15.695 715 HB3 LEU 89 1HB LEU 89 -0.747 18.674 16.405 716 HG LEU 89 HG LEU 89 0.525 18.928 14.161 717 HD11 LEU 89 1HD1 LEU 89 -1.431 21.219 13.766 718 HD12 LEU 89 2HD1 LEU 89 -1.260 19.796 12.736 719 HD13 LEU 89 3HD1 LEU 89 0.053 20.965 12.840 720 HD21 LEU 89 3HD2 LEU 89 1.231 20.018 16.228 721 HD22 LEU 89 1HD2 LEU 89 0.125 21.361 15.923 722 HD23 LEU 89 2HD2 LEU 89 1.496 21.079 14.847 723 H GLU 90 H GLU 90 -1.866 17.136 12.342 724 HA GLU 90 HA GLU 90 -3.900 19.011 11.548 725 HB2 GLU 90 2HB GLU 90 -3.561 17.957 9.232 726 HB3 GLU 90 1HB GLU 90 -2.189 18.790 9.943 727 HG2 GLU 90 2HG GLU 90 -1.148 16.671 10.554 728 HG3 GLU 90 1HG GLU 90 -2.548 15.770 9.966 729 H281 4EM 101 2H28 PYA 142 0.973 -10.901 7.874 730 H283 4EM 101 3H28 PYA 142 2.467 -11.057 8.797 731 H303 4EM 101 3H30 PYA 142 -1.289 -11.615 10.725 732 H301 4EM 101 1H30 PYA 142 -0.684 -12.839 9.597 733 H302 4EM 101 2H30 PYA 142 -1.220 -11.263 9.004 734 H312 4EM 101 2H31 PYA 142 0.058 -9.544 11.181 735 H313 4EM 101 3H31 PYA 142 1.604 -9.300 10.379 736 H311 4EM 101 1H31 PYA 142 0.100 -9.216 9.438 737 H32 4EM 101 H32 PYA 142 1.381 -13.014 10.971 738 H33 4EM 101 H33 PYA 142 2.775 -10.629 11.632 739 H36 4EM 101 H36 PYA 142 -0.811 -12.997 12.140 740 H373 4EM 101 3H37 PYA 142 -1.656 -13.129 14.321 741 H372 4EM 101 2H37 PYA 142 -0.598 -11.820 14.827 742 H382 4EM 101 2H38 PYA 142 -2.002 -10.216 13.583 743 H383 4EM 101 3H38 PYA 142 -2.882 -11.037 14.866 744 H41 4EM 101 H41 PYA 142 -3.559 -9.701 12.112 745 H423 4EM 101 3H42 PYA 142 -5.338 -9.790 10.702 746 H422 4EM 101 2H42 PYA 142 -5.891 -11.240 11.527 747 H433 4EM 101 3H43 PYA 142 -5.533 -11.716 9.190 748 H432 4EM 101 2H43 PYA 142 -4.329 -12.578 10.151 749 H44 4EM 101 H44 PYA 142 -2.909 -10.680 9.683 750 H49 4EM 101 H49 PYA 142 -2.771 -11.074 5.233 751 H51 4EM 101 H51 PYA 142 -0.445 -9.905 4.961 752 H50 4EM 101 H50 PYA 142 0.179 -8.820 7.239 753 H48 4EM 101 H48 PYA 142 -1.791 -9.250 8.828 Start of MODEL 4 1 H1 MET 1 1H MET 1 8.378 11.437 -1.504 2 H2 MET 1 2H MET 1 8.200 13.104 -1.697 3 H3 MET 1 3H MET 1 6.877 12.082 -1.938 4 HA MET 1 HA MET 1 6.953 11.415 0.363 5 HB2 MET 1 2HB MET 1 9.156 13.517 0.522 6 HB3 MET 1 1HB MET 1 8.320 12.889 1.936 7 HG2 MET 1 2HG MET 1 9.122 10.593 1.314 8 HG3 MET 1 1HG MET 1 10.104 11.337 0.044 9 HE1 MET 1 3HE MET 1 12.346 10.259 3.304 10 HE2 MET 1 1HE MET 1 11.938 9.755 1.664 11 HE3 MET 1 2HE MET 1 10.750 9.596 2.955 12 H ASP 2 H ASP 2 4.835 12.151 -0.193 13 HA ASP 2 HA ASP 2 4.075 14.404 1.367 14 HB2 ASP 2 2HB ASP 2 4.745 15.493 -0.882 15 HB3 ASP 2 1HB ASP 2 3.354 14.682 -1.592 16 H GLY 3 H GLY 3 2.245 13.166 -1.496 17 HA2 GLY 3 2HA GLY 3 0.746 11.233 0.053 18 HA3 GLY 3 1HA GLY 3 -0.137 12.729 -0.178 19 H GLU 4 H GLU 4 -0.511 13.429 -2.397 20 HA GLU 4 HA GLU 4 -1.940 11.450 -3.775 21 HB2 GLU 4 2HB GLU 4 -1.085 14.184 -4.796 22 HB3 GLU 4 1HB GLU 4 -2.325 13.165 -5.527 23 HG2 GLU 4 2HG GLU 4 -2.465 14.212 -2.691 24 HG3 GLU 4 1HG GLU 4 -3.181 15.020 -4.067 25 H GLU 5 H GLU 5 1.198 12.769 -4.398 26 HA GLU 5 HA GLU 5 1.746 11.741 -6.994 27 HB2 GLU 5 2HB GLU 5 3.785 12.368 -4.790 28 HB3 GLU 5 1HB GLU 5 4.103 12.254 -6.516 29 HG2 GLU 5 2HG GLU 5 4.139 14.555 -5.914 30 HG3 GLU 5 1HG GLU 5 2.697 14.261 -6.879 31 H VAL 6 H VAL 6 2.107 10.600 -3.747 32 HA VAL 6 HA VAL 6 3.932 8.468 -4.332 33 HB VAL 6 HB VAL 6 2.507 9.020 -1.722 34 HG11 VAL 6 1HG1 VAL 6 5.111 7.612 -2.327 35 HG12 VAL 6 2HG1 VAL 6 3.606 6.847 -1.810 36 HG13 VAL 6 3HG1 VAL 6 4.475 7.921 -0.713 37 HG21 VAL 6 3HG2 VAL 6 3.588 11.106 -2.425 38 HG22 VAL 6 1HG2 VAL 6 5.117 10.247 -2.661 39 HG23 VAL 6 2HG2 VAL 6 4.433 10.403 -1.040 40 H LYS 7 H LYS 7 0.491 8.816 -3.918 41 HA LYS 7 HA LYS 7 -0.349 6.334 -3.062 42 HB2 LYS 7 2HB LYS 7 -1.657 8.065 -5.194 43 HB3 LYS 7 1HB LYS 7 -2.457 6.747 -4.347 44 HG2 LYS 7 2HG LYS 7 -2.180 7.963 -2.198 45 HG3 LYS 7 1HG LYS 7 -1.406 9.292 -3.071 46 HD2 LYS 7 2HD LYS 7 -4.293 8.372 -3.269 47 HD3 LYS 7 1HD LYS 7 -3.683 9.945 -2.740 48 HE2 LYS 7 2HE LYS 7 -2.829 10.351 -5.034 49 HE3 LYS 7 1HE LYS 7 -3.545 8.829 -5.558 50 HZ1 LYS 7 3HZ LYS 7 -4.945 10.696 -6.086 51 HZ2 LYS 7 1HZ LYS 7 -5.031 11.149 -4.457 52 HZ3 LYS 7 2HZ LYS 7 -5.715 9.688 -4.974 53 H GLU 8 H GLU 8 0.093 7.269 -6.512 54 HA GLU 8 HA GLU 8 -0.282 4.648 -7.500 55 HB2 GLU 8 2HB GLU 8 0.600 5.432 -9.621 56 HB3 GLU 8 1HB GLU 8 -0.542 6.594 -8.957 57 HG2 GLU 8 2HG GLU 8 1.148 8.174 -8.468 58 HG3 GLU 8 1HG GLU 8 2.434 6.964 -8.554 59 H LYS 9 H LYS 9 2.635 6.373 -6.364 60 HA LYS 9 HA LYS 9 4.554 4.518 -7.327 61 HB2 LYS 9 2HB LYS 9 4.787 6.333 -4.902 62 HB3 LYS 9 1HB LYS 9 6.119 5.473 -5.664 63 HG2 LYS 9 2HG LYS 9 5.663 6.819 -7.765 64 HG3 LYS 9 1HG LYS 9 4.520 7.776 -6.814 65 HD2 LYS 9 2HD LYS 9 7.517 7.501 -6.364 66 HD3 LYS 9 1HD LYS 9 6.637 8.951 -6.843 67 HE2 LYS 9 2HE LYS 9 5.564 9.079 -4.645 68 HE3 LYS 9 1HE LYS 9 6.302 7.554 -4.157 69 HZ1 LYS 9 3HZ LYS 9 7.463 9.440 -3.258 70 HZ2 LYS 9 1HZ LYS 9 7.770 10.042 -4.806 71 HZ3 LYS 9 2HZ LYS 9 8.460 8.583 -4.314 72 H ILE 10 H ILE 10 2.435 4.392 -4.572 73 HA ILE 10 HA ILE 10 3.729 2.381 -3.044 74 HB ILE 10 HB ILE 10 0.755 2.962 -3.356 75 HG12 ILE 10 2HG1 ILE 10 1.870 4.934 -2.497 76 HG13 ILE 10 1HG1 ILE 10 1.019 4.187 -1.156 77 HG21 ILE 10 1HG2 ILE 10 2.120 1.356 -1.180 78 HG22 ILE 10 2HG2 ILE 10 1.066 0.713 -2.440 79 HG23 ILE 10 3HG2 ILE 10 0.409 1.796 -1.212 80 HD11 ILE 10 3HD1 ILE 10 3.196 4.992 -0.468 81 HD12 ILE 10 1HD1 ILE 10 3.988 4.015 -1.702 82 HD13 ILE 10 2HD1 ILE 10 3.150 3.234 -0.355 83 H ARG 11 H ARG 11 1.340 2.285 -5.639 84 HA ARG 11 HA ARG 11 1.241 -0.567 -5.867 85 HB2 ARG 11 2HB ARG 11 0.248 1.660 -7.677 86 HB3 ARG 11 1HB ARG 11 0.015 -0.047 -8.053 87 HG2 ARG 11 2HG ARG 11 -1.025 1.380 -5.582 88 HG3 ARG 11 1HG ARG 11 -1.991 0.896 -6.981 89 HD2 ARG 11 2HD ARG 11 -1.616 -1.457 -6.509 90 HD3 ARG 11 1HD ARG 11 -0.427 -1.079 -5.266 91 HE ARG 11 HE ARG 11 -3.345 -0.777 -5.059 92 HH11 ARG 11 1HH1 ARG 11 -0.209 -0.678 -3.482 93 HH12 ARG 11 2HH1 ARG 11 -0.873 -0.721 -1.884 94 HH21 ARG 11 1HH2 ARG 11 -4.171 -1.015 -2.978 95 HH22 ARG 11 2HH2 ARG 11 -3.139 -0.915 -1.602 96 H ARG 12 H ARG 12 3.018 1.976 -7.552 97 HA ARG 12 HA ARG 12 4.204 0.438 -9.598 98 HB2 ARG 12 2HB ARG 12 4.792 3.095 -8.308 99 HB3 ARG 12 1HB ARG 12 6.089 2.369 -9.234 100 HG2 ARG 12 2HG ARG 12 4.693 4.050 -10.492 101 HG3 ARG 12 1HG ARG 12 4.855 2.475 -11.264 102 HD2 ARG 12 2HD ARG 12 2.622 1.915 -10.911 103 HD3 ARG 12 1HD ARG 12 2.443 3.018 -9.549 104 HE ARG 12 HE ARG 12 2.822 4.772 -11.495 105 HH11 ARG 12 1HH1 ARG 12 0.709 1.965 -11.479 106 HH12 ARG 12 2HH1 ARG 12 -0.436 2.676 -12.564 107 HH21 ARG 12 1HH2 ARG 12 1.298 5.708 -12.844 108 HH22 ARG 12 2HH2 ARG 12 -0.096 4.808 -13.341 109 H TYR 13 H TYR 13 5.177 1.133 -6.278 110 HA TYR 13 HA TYR 13 7.708 -0.113 -6.269 111 HB2 TYR 13 2HB TYR 13 7.101 1.404 -4.482 112 HB3 TYR 13 1HB TYR 13 5.721 0.410 -4.023 113 HD1 TYR 13 HD1 TYR 13 9.457 -0.045 -4.487 114 HD2 TYR 13 HD2 TYR 13 6.038 -0.845 -2.045 115 HE1 TYR 13 HE1 TYR 13 10.888 -1.202 -2.859 116 HE2 TYR 13 HE2 TYR 13 7.470 -1.994 -0.421 117 HH TYR 13 HH TYR 13 10.811 -1.762 -0.407 118 H ILE 14 H ILE 14 4.483 -1.354 -5.485 119 HA ILE 14 HA ILE 14 5.193 -3.960 -4.677 120 HB ILE 14 HB ILE 14 2.609 -2.892 -5.892 121 HG12 ILE 14 2HG1 ILE 14 3.364 -3.493 -2.995 122 HG13 ILE 14 1HG1 ILE 14 3.279 -1.885 -3.701 123 HG21 ILE 14 1HG2 ILE 14 3.085 -5.588 -4.552 124 HG22 ILE 14 2HG2 ILE 14 2.680 -5.323 -6.250 125 HG23 ILE 14 3HG2 ILE 14 1.501 -4.943 -4.997 126 HD11 ILE 14 3HD1 ILE 14 0.989 -3.789 -3.282 127 HD12 ILE 14 1HD1 ILE 14 0.865 -2.205 -4.055 128 HD13 ILE 14 2HD1 ILE 14 1.345 -2.329 -2.363 129 H MET 15 H MET 15 4.207 -2.711 -7.877 130 HA MET 15 HA MET 15 4.245 -5.312 -9.095 131 HB2 MET 15 2HB MET 15 4.160 -2.589 -10.459 132 HB3 MET 15 1HB MET 15 3.706 -4.139 -11.169 133 HG2 MET 15 2HG MET 15 2.309 -2.684 -8.927 134 HG3 MET 15 1HG MET 15 1.706 -2.960 -10.555 135 HE1 MET 15 3HE MET 15 0.690 -6.657 -10.552 136 HE2 MET 15 1HE MET 15 2.091 -5.869 -11.278 137 HE3 MET 15 2HE MET 15 0.508 -5.075 -11.324 138 H GLU 16 H GLU 16 6.448 -2.480 -9.293 139 HA GLU 16 HA GLU 16 8.265 -3.650 -11.150 140 HB2 GLU 16 2HB GLU 16 8.691 -1.314 -9.236 141 HB3 GLU 16 1HB GLU 16 9.805 -1.764 -10.524 142 HG2 GLU 16 2HG GLU 16 8.161 -1.249 -12.217 143 HG3 GLU 16 1HG GLU 16 6.923 -0.948 -10.996 144 H ASP 17 H ASP 17 8.464 -3.227 -7.575 145 HA ASP 17 HA ASP 17 10.991 -4.690 -7.480 146 HB2 ASP 17 2HB ASP 17 9.329 -3.467 -5.242 147 HB3 ASP 17 1HB ASP 17 10.864 -4.294 -4.996 148 H LEU 18 H LEU 18 7.770 -5.114 -5.958 149 HA LEU 18 HA LEU 18 8.519 -7.603 -4.758 150 HB2 LEU 18 2HB LEU 18 5.888 -6.124 -4.902 151 HB3 LEU 18 1HB LEU 18 6.014 -7.685 -4.129 152 HG LEU 18 HG LEU 18 6.103 -6.043 -2.395 153 HD11 LEU 18 1HD1 LEU 18 7.616 -7.938 -2.077 154 HD12 LEU 18 2HD1 LEU 18 8.244 -6.482 -1.319 155 HD13 LEU 18 3HD1 LEU 18 8.934 -7.037 -2.842 156 HD21 LEU 18 3HD2 LEU 18 8.383 -4.621 -3.815 157 HD22 LEU 18 1HD2 LEU 18 7.700 -4.193 -2.242 158 HD23 LEU 18 2HD2 LEU 18 6.722 -4.040 -3.699 159 H ILE 19 H ILE 19 6.499 -6.859 -7.613 160 HA ILE 19 HA ILE 19 6.132 -9.681 -8.215 161 HB ILE 19 HB ILE 19 5.334 -7.182 -9.738 162 HG12 ILE 19 2HG1 ILE 19 3.013 -8.143 -9.499 163 HG13 ILE 19 1HG1 ILE 19 3.690 -9.453 -8.556 164 HG21 ILE 19 1HG2 ILE 19 4.332 -8.608 -11.504 165 HG22 ILE 19 2HG2 ILE 19 5.075 -10.027 -10.761 166 HG23 ILE 19 3HG2 ILE 19 6.092 -8.755 -11.447 167 HD11 ILE 19 3HD1 ILE 19 2.609 -7.790 -7.177 168 HD12 ILE 19 1HD1 ILE 19 3.706 -6.549 -7.791 169 HD13 ILE 19 2HD1 ILE 19 4.335 -7.891 -6.824 170 H GLY 20 H GLY 20 7.944 -6.952 -9.586 171 HA2 GLY 20 2HA GLY 20 10.326 -7.377 -10.154 172 HA3 GLY 20 1HA GLY 20 9.797 -8.862 -10.942 173 HA PRO 21 HA PRO 21 10.006 -5.475 -14.229 174 HB2 PRO 21 2HB PRO 21 11.461 -7.009 -16.036 175 HB3 PRO 21 1HB PRO 21 12.205 -5.950 -14.824 176 HG2 PRO 21 2HG PRO 21 11.791 -8.914 -14.725 177 HG3 PRO 21 1HG PRO 21 13.203 -7.949 -14.235 178 HD2 PRO 21 2HD PRO 21 11.420 -8.888 -12.414 179 HD3 PRO 21 1HD PRO 21 12.264 -7.336 -12.201 180 H SER 22 H SER 22 8.959 -8.775 -13.991 181 HA SER 22 HA SER 22 7.260 -8.707 -16.371 182 HB2 SER 22 2HB SER 22 7.552 -10.754 -14.134 183 HB3 SER 22 1HB SER 22 6.585 -10.975 -15.594 184 HG SER 22 HG SER 22 8.367 -11.110 -16.791 185 H ALA 23 H ALA 23 6.806 -6.614 -14.482 186 HA ALA 23 HA ALA 23 4.819 -7.016 -12.567 187 HB1 ALA 23 3HB ALA 23 6.221 -5.049 -12.594 188 HB2 ALA 23 1HB ALA 23 4.525 -4.565 -12.670 189 HB3 ALA 23 2HB ALA 23 5.522 -4.516 -14.129 190 H LYS 24 H LYS 24 2.719 -7.392 -12.730 191 HA LYS 24 HA LYS 24 1.419 -7.594 -15.307 192 HB2 LYS 24 2HB LYS 24 0.478 -8.258 -12.495 193 HB3 LYS 24 1HB LYS 24 -0.493 -8.517 -13.938 194 HG2 LYS 24 2HG LYS 24 2.162 -9.846 -13.334 195 HG3 LYS 24 1HG LYS 24 0.562 -10.583 -13.189 196 HD2 LYS 24 2HD LYS 24 0.301 -9.967 -15.727 197 HD3 LYS 24 1HD LYS 24 2.057 -9.784 -15.702 198 HE2 LYS 24 2HE LYS 24 1.413 -12.025 -16.466 199 HE3 LYS 24 1HE LYS 24 2.280 -12.115 -14.933 200 HZ1 LYS 24 3HZ LYS 24 -0.676 -12.212 -15.212 201 HZ2 LYS 24 1HZ LYS 24 0.200 -12.398 -13.781 202 HZ3 LYS 24 2HZ LYS 24 0.319 -13.558 -15.001 203 H GLU 25 H GLU 25 1.594 -5.294 -15.691 204 HA GLU 25 HA GLU 25 0.164 -3.307 -14.296 205 HB2 GLU 25 2HB GLU 25 0.946 -3.381 -17.238 206 HB3 GLU 25 1HB GLU 25 0.465 -1.934 -16.353 207 HG2 GLU 25 2HG GLU 25 2.905 -3.635 -15.749 208 HG3 GLU 25 1HG GLU 25 2.927 -2.104 -16.618 209 H ASP 26 H ASP 26 -0.801 -5.600 -16.703 210 HA ASP 26 HA ASP 26 -3.353 -4.739 -17.459 211 HB2 ASP 26 2HB ASP 26 -2.177 -6.659 -18.521 212 HB3 ASP 26 1HB ASP 26 -2.316 -7.594 -17.033 213 H GLU 27 H GLU 27 -2.322 -6.755 -14.720 214 HA GLU 27 HA GLU 27 -4.995 -7.008 -13.612 215 HB2 GLU 27 2HB GLU 27 -2.281 -7.885 -12.538 216 HB3 GLU 27 1HB GLU 27 -3.832 -8.298 -11.810 217 HG2 GLU 27 2HG GLU 27 -4.478 -9.485 -13.899 218 HG3 GLU 27 1HG GLU 27 -2.895 -9.117 -14.582 219 H LEU 28 H LEU 28 -2.413 -4.764 -13.310 220 HA LEU 28 HA LEU 28 -2.955 -3.865 -10.645 221 HB2 LEU 28 2HB LEU 28 -0.722 -3.664 -11.689 222 HB3 LEU 28 1HB LEU 28 -1.387 -2.550 -12.875 223 HG LEU 28 HG LEU 28 -1.980 -0.987 -10.992 224 HD11 LEU 28 1HD1 LEU 28 -0.375 -2.899 -9.279 225 HD12 LEU 28 2HD1 LEU 28 -2.103 -2.566 -9.137 226 HD13 LEU 28 3HD1 LEU 28 -0.932 -1.300 -8.783 227 HD21 LEU 28 3HD2 LEU 28 0.017 -0.557 -12.293 228 HD22 LEU 28 1HD2 LEU 28 0.948 -1.662 -11.280 229 HD23 LEU 28 2HD2 LEU 28 0.313 -0.164 -10.601 230 H ASP 29 H ASP 29 -4.313 -2.297 -9.999 231 HA ASP 29 HA ASP 29 -5.012 -0.004 -11.556 232 HB2 ASP 29 2HB ASP 29 -6.725 -1.863 -12.280 233 HB3 ASP 29 1HB ASP 29 -7.384 -1.701 -10.655 234 H ASP 30 H ASP 30 -6.507 1.407 -10.260 235 HA ASP 30 HA ASP 30 -5.621 1.661 -7.569 236 HB2 ASP 30 2HB ASP 30 -7.902 3.139 -8.956 237 HB3 ASP 30 1HB ASP 30 -7.058 3.650 -7.496 238 H GLN 31 H GLN 31 -8.454 0.426 -9.153 239 HA GLN 31 HA GLN 31 -10.070 0.189 -6.718 240 HB2 GLN 31 2HB GLN 31 -10.773 -0.435 -9.622 241 HB3 GLN 31 1HB GLN 31 -11.911 -0.363 -8.274 242 HG2 GLN 31 2HG GLN 31 -11.603 2.020 -8.038 243 HG3 GLN 31 1HG GLN 31 -10.269 2.021 -9.195 244 HE21 GLN 31 1HE2 GLN 31 -10.725 1.727 -11.406 245 HE22 GLN 31 2HE2 GLN 31 -12.307 2.002 -12.053 246 H THR 32 H THR 32 -7.989 -1.757 -8.674 247 HA THR 32 HA THR 32 -9.147 -4.315 -8.372 248 HB THR 32 HB THR 32 -6.238 -3.509 -8.718 249 HG1 THR 32 HG1 THR 32 -6.702 -4.351 -10.859 250 HG21 THR 32 3HG2 THR 32 -7.421 -6.313 -8.831 251 HG22 THR 32 1HG2 THR 32 -6.269 -5.727 -7.625 252 HG23 THR 32 2HG2 THR 32 -5.779 -5.880 -9.313 253 HA PRO 33 HA PRO 33 -8.218 -4.845 -3.928 254 HB2 PRO 33 2HB PRO 33 -9.434 -7.290 -3.637 255 HB3 PRO 33 1HB PRO 33 -10.351 -5.770 -3.703 256 HG2 PRO 33 2HG PRO 33 -9.935 -7.810 -5.845 257 HG3 PRO 33 1HG PRO 33 -11.385 -6.865 -5.457 258 HD2 PRO 33 2HD PRO 33 -9.654 -6.250 -7.517 259 HD3 PRO 33 1HD PRO 33 -10.707 -5.062 -6.718 260 H LEU 34 H LEU 34 -6.065 -5.168 -3.799 261 HA LEU 34 HA LEU 34 -4.519 -6.987 -5.288 262 HB2 LEU 34 2HB LEU 34 -3.791 -5.418 -2.787 263 HB3 LEU 34 1HB LEU 34 -2.651 -6.315 -3.766 264 HG LEU 34 HG LEU 34 -2.403 -3.970 -4.235 265 HD11 LEU 34 1HD1 LEU 34 -2.682 -3.863 -6.653 266 HD12 LEU 34 2HD1 LEU 34 -3.784 -5.242 -6.613 267 HD13 LEU 34 3HD1 LEU 34 -2.087 -5.450 -6.169 268 HD21 LEU 34 3HD2 LEU 34 -4.566 -3.135 -3.541 269 HD22 LEU 34 1HD2 LEU 34 -5.320 -3.855 -4.964 270 HD23 LEU 34 2HD2 LEU 34 -4.153 -2.543 -5.148 271 H LEU 35 H LEU 35 -5.739 -7.078 -1.920 272 HA LEU 35 HA LEU 35 -4.402 -9.433 -1.060 273 HB2 LEU 35 2HB LEU 35 -7.047 -8.232 -0.158 274 HB3 LEU 35 1HB LEU 35 -6.407 -9.699 0.560 275 HG LEU 35 HG LEU 35 -5.923 -7.830 2.003 276 HD11 LEU 35 1HD1 LEU 35 -4.222 -9.594 1.948 277 HD12 LEU 35 2HD1 LEU 35 -3.499 -8.025 2.278 278 HD13 LEU 35 3HD1 LEU 35 -3.350 -8.740 0.670 279 HD21 LEU 35 3HD2 LEU 35 -5.999 -6.002 0.405 280 HD22 LEU 35 1HD2 LEU 35 -4.472 -6.527 -0.312 281 HD23 LEU 35 2HD2 LEU 35 -4.519 -5.940 1.352 282 H GLU 36 H GLU 36 -7.584 -8.930 -2.459 283 HA GLU 36 HA GLU 36 -8.508 -11.582 -2.451 284 HB2 GLU 36 2HB GLU 36 -9.988 -9.593 -2.647 285 HB3 GLU 36 1HB GLU 36 -9.336 -9.267 -4.251 286 HG2 GLU 36 2HG GLU 36 -10.261 -11.446 -5.031 287 HG3 GLU 36 1HG GLU 36 -10.952 -11.694 -3.428 288 H TRP 37 H TRP 37 -6.508 -9.783 -4.697 289 HA TRP 37 HA TRP 37 -6.667 -11.892 -6.768 290 HB2 TRP 37 2HB TRP 37 -5.452 -9.100 -6.742 291 HB3 TRP 37 1HB TRP 37 -5.151 -10.240 -8.050 292 HD1 TRP 37 HD1 TRP 37 -8.635 -9.661 -6.407 293 HE1 TRP 37 HE1 TRP 37 -10.223 -8.780 -8.204 294 HE3 TRP 37 HE3 TRP 37 -5.320 -9.196 -10.290 295 HZ2 TRP 37 HZ2 TRP 37 -10.120 -7.986 -10.904 296 HZ3 TRP 37 HZ3 TRP 37 -6.163 -8.360 -12.454 297 HH2 TRP 37 HH2 TRP 37 -8.513 -7.770 -12.754 298 H GLY 38 H GLY 38 -5.148 -11.842 -3.987 299 HA2 GLY 38 2HA GLY 38 -3.361 -12.969 -3.125 300 HA3 GLY 38 1HA GLY 38 -3.268 -13.820 -4.656 301 H ILE 39 H ILE 39 -2.903 -10.382 -4.571 302 HA ILE 39 HA ILE 39 -0.219 -10.496 -5.672 303 HB ILE 39 HB ILE 39 -2.115 -8.160 -5.121 304 HG12 ILE 39 2HG1 ILE 39 -1.319 -9.488 -7.756 305 HG13 ILE 39 1HG1 ILE 39 -2.849 -9.748 -6.933 306 HG21 ILE 39 1HG2 ILE 39 0.220 -7.360 -5.007 307 HG22 ILE 39 2HG2 ILE 39 -0.596 -6.728 -6.435 308 HG23 ILE 39 3HG2 ILE 39 0.544 -8.065 -6.595 309 HD11 ILE 39 3HD1 ILE 39 -3.111 -8.257 -8.807 310 HD12 ILE 39 1HD1 ILE 39 -1.883 -7.172 -8.158 311 HD13 ILE 39 2HD1 ILE 39 -3.413 -7.383 -7.303 312 H LEU 40 H LEU 40 -1.846 -9.543 -2.701 313 HA LEU 40 HA LEU 40 0.721 -8.826 -1.415 314 HB2 LEU 40 2HB LEU 40 -2.122 -8.243 -0.509 315 HB3 LEU 40 1HB LEU 40 -0.650 -7.703 0.284 316 HG LEU 40 HG LEU 40 -1.680 -6.816 -2.421 317 HD11 LEU 40 1HD1 LEU 40 -1.334 -5.318 0.186 318 HD12 LEU 40 2HD1 LEU 40 -2.855 -5.773 -0.601 319 HD13 LEU 40 3HD1 LEU 40 -1.788 -4.600 -1.363 320 HD21 LEU 40 3HD2 LEU 40 0.942 -6.089 -1.090 321 HD22 LEU 40 1HD2 LEU 40 0.265 -5.295 -2.516 322 HD23 LEU 40 2HD2 LEU 40 0.729 -6.992 -2.596 323 H ASN 41 H ASN 41 -0.800 -9.248 1.264 324 HA ASN 41 HA ASN 41 -0.939 -10.702 2.906 325 HB2 ASN 41 2HB ASN 41 -1.075 -12.801 0.707 326 HB3 ASN 41 1HB ASN 41 -1.080 -13.241 2.412 327 HD21 ASN 41 1HD2 ASN 41 -3.174 -13.311 0.148 328 HD22 ASN 41 2HD2 ASN 41 -4.570 -12.622 0.894 329 H SER 42 H SER 42 0.792 -10.431 4.053 330 HA SER 42 HA SER 42 2.869 -10.316 4.832 331 HB2 SER 42 3HB SER 42 2.833 -13.133 3.750 332 HB3 SER 42 2HB SER 42 4.287 -12.512 4.499 333 H MET 43 H MET 43 3.605 -12.148 1.872 334 HA MET 43 HA MET 43 6.138 -11.668 1.375 335 HB2 MET 43 2HB MET 43 4.049 -11.518 -0.848 336 HB3 MET 43 1HB MET 43 5.736 -11.978 -1.040 337 HG2 MET 43 2HG MET 43 5.394 -14.013 0.153 338 HG3 MET 43 1HG MET 43 3.762 -13.529 0.626 339 HE1 MET 43 3HE MET 43 2.659 -12.176 -2.128 340 HE2 MET 43 1HE MET 43 1.736 -13.254 -1.083 341 HE3 MET 43 2HE MET 43 1.850 -13.590 -2.810 342 H ASN 44 H ASN 44 3.677 -9.560 -0.062 343 HA ASN 44 HA ASN 44 5.668 -7.596 -0.899 344 HB2 ASN 44 2HB ASN 44 2.644 -7.634 -1.290 345 HB3 ASN 44 1HB ASN 44 3.755 -6.498 -2.049 346 HD21 ASN 44 1HD2 ASN 44 3.175 -7.120 -4.144 347 HD22 ASN 44 2HD2 ASN 44 3.576 -8.652 -4.822 348 H ILE 45 H ILE 45 3.033 -7.923 1.360 349 HA ILE 45 HA ILE 45 2.456 -5.290 2.014 350 HB ILE 45 HB ILE 45 1.867 -7.987 3.127 351 HG12 ILE 45 2HG1 ILE 45 0.137 -5.530 2.630 352 HG13 ILE 45 1HG1 ILE 45 0.385 -6.853 1.497 353 HG21 ILE 45 1HG2 ILE 45 0.840 -7.251 5.230 354 HG22 ILE 45 2HG2 ILE 45 1.452 -5.615 4.964 355 HG23 ILE 45 3HG2 ILE 45 2.583 -6.950 5.227 356 HD11 ILE 45 3HD1 ILE 45 -1.754 -7.051 2.534 357 HD12 ILE 45 1HD1 ILE 45 -1.036 -6.973 4.143 358 HD13 ILE 45 2HD1 ILE 45 -0.722 -8.367 3.100 359 H VAL 46 H VAL 46 4.933 -7.388 3.415 360 HA VAL 46 HA VAL 46 5.426 -5.844 5.756 361 HB VAL 46 HB VAL 46 7.268 -7.844 4.382 362 HG11 VAL 46 1HG1 VAL 46 7.327 -6.758 7.228 363 HG12 VAL 46 2HG1 VAL 46 8.486 -6.361 5.956 364 HG13 VAL 46 3HG1 VAL 46 8.397 -8.009 6.588 365 HG21 VAL 46 3HG2 VAL 46 5.092 -8.852 5.026 366 HG22 VAL 46 1HG2 VAL 46 5.311 -8.273 6.679 367 HG23 VAL 46 2HG2 VAL 46 6.406 -9.489 6.016 368 H LYS 47 H LYS 47 6.529 -5.650 2.481 369 HA LYS 47 HA LYS 47 8.772 -3.901 2.978 370 HB2 LYS 47 2HB LYS 47 7.418 -4.780 0.406 371 HB3 LYS 47 1HB LYS 47 8.770 -3.656 0.443 372 HG2 LYS 47 2HG LYS 47 9.607 -5.830 -0.096 373 HG3 LYS 47 1HG LYS 47 10.165 -5.405 1.523 374 HD2 LYS 47 2HD LYS 47 8.580 -6.900 2.551 375 HD3 LYS 47 1HD LYS 47 7.722 -7.135 1.029 376 HE2 LYS 47 2HE LYS 47 9.053 -9.098 1.516 377 HE3 LYS 47 1HE LYS 47 9.722 -8.279 0.107 378 HZ1 LYS 47 3HZ LYS 47 11.384 -9.057 1.683 379 HZ2 LYS 47 1HZ LYS 47 10.766 -8.016 2.859 380 HZ3 LYS 47 2HZ LYS 47 11.445 -7.389 1.452 381 H LEU 48 H LEU 48 5.360 -3.575 2.211 382 HA LEU 48 HA LEU 48 5.391 -0.775 1.644 383 HB2 LEU 48 2HB LEU 48 3.148 -2.631 2.506 384 HB3 LEU 48 1HB LEU 48 2.885 -0.902 2.352 385 HG LEU 48 HG LEU 48 2.102 -1.927 0.325 386 HD11 LEU 48 1HD1 LEU 48 3.435 -0.797 -1.407 387 HD12 LEU 48 2HD1 LEU 48 4.783 -0.609 -0.285 388 HD13 LEU 48 3HD1 LEU 48 3.261 0.235 0.011 389 HD21 LEU 48 3HD2 LEU 48 4.818 -3.238 -0.031 390 HD22 LEU 48 1HD2 LEU 48 3.462 -3.316 -1.159 391 HD23 LEU 48 2HD2 LEU 48 3.326 -4.062 0.429 392 H MET 49 H MET 49 5.278 -2.659 4.607 393 HA MET 49 HA MET 49 4.460 -0.719 6.472 394 HB2 MET 49 2HB MET 49 6.556 -2.890 6.963 395 HB3 MET 49 1HB MET 49 5.628 -2.045 8.195 396 HG2 MET 49 2HG MET 49 3.581 -3.123 7.446 397 HG3 MET 49 1HG MET 49 4.457 -3.906 6.120 398 HE1 MET 49 3HE MET 49 3.858 -7.021 8.451 399 HE2 MET 49 1HE MET 49 3.904 -6.479 6.772 400 HE3 MET 49 2HE MET 49 2.758 -5.762 7.898 401 H VAL 50 H VAL 50 7.784 -1.658 5.539 402 HA VAL 50 HA VAL 50 9.040 0.550 6.851 403 HB VAL 50 HB VAL 50 10.267 -1.543 6.503 404 HG11 VAL 50 1HG1 VAL 50 9.377 -2.239 4.314 405 HG12 VAL 50 2HG1 VAL 50 11.141 -2.230 4.297 406 HG13 VAL 50 3HG1 VAL 50 10.249 -0.916 3.527 407 HG21 VAL 50 3HG2 VAL 50 12.435 -0.614 5.666 408 HG22 VAL 50 1HG2 VAL 50 11.630 0.462 6.812 409 HG23 VAL 50 2HG2 VAL 50 11.574 0.817 5.083 410 H TYR 51 H TYR 51 7.769 0.111 3.588 411 HA TYR 51 HA TYR 51 9.218 2.115 2.226 412 HB2 TYR 51 2HB TYR 51 7.675 0.346 1.168 413 HB3 TYR 51 1HB TYR 51 6.328 1.385 1.589 414 HD1 TYR 51 HD1 TYR 51 9.554 1.363 -0.319 415 HD2 TYR 51 HD2 TYR 51 5.710 3.189 0.096 416 HE1 TYR 51 HE1 TYR 51 9.911 2.591 -2.412 417 HE2 TYR 51 HE2 TYR 51 6.069 4.411 -2.000 418 HH TYR 51 HH TYR 51 8.510 3.691 -4.192 419 H ILE 52 H ILE 52 6.004 2.193 3.632 420 HA ILE 52 HA ILE 52 5.441 4.945 3.209 421 HB ILE 52 HB ILE 52 4.146 2.890 5.060 422 HG12 ILE 52 2HG1 ILE 52 3.178 3.757 2.301 423 HG13 ILE 52 1HG1 ILE 52 4.279 2.401 2.507 424 HG21 ILE 52 1HG2 ILE 52 2.127 4.311 5.027 425 HG22 ILE 52 2HG2 ILE 52 2.985 5.516 4.066 426 HG23 ILE 52 3HG2 ILE 52 3.495 5.183 5.722 427 HD11 ILE 52 3HD1 ILE 52 1.504 2.608 3.649 428 HD12 ILE 52 1HD1 ILE 52 2.618 1.251 3.849 429 HD13 ILE 52 2HD1 ILE 52 2.008 1.663 2.246 430 H ARG 53 H ARG 53 6.974 3.145 5.771 431 HA ARG 53 HA ARG 53 6.930 4.981 7.885 432 HB2 ARG 53 2HB ARG 53 7.611 2.636 8.139 433 HB3 ARG 53 1HB ARG 53 9.061 2.938 7.191 434 HG2 ARG 53 2HG ARG 53 9.931 4.433 8.941 435 HG3 ARG 53 1HG ARG 53 8.442 4.241 9.870 436 HD2 ARG 53 2HD ARG 53 8.921 1.842 10.152 437 HD3 ARG 53 1HD ARG 53 10.406 2.018 9.210 438 HE ARG 53 HE ARG 53 10.282 3.765 11.502 439 HH11 ARG 53 1HH1 ARG 53 11.160 0.549 10.447 440 HH12 ARG 53 2HH1 ARG 53 12.264 0.276 11.755 441 HH21 ARG 53 1HH2 ARG 53 11.739 3.416 13.220 442 HH22 ARG 53 2HH2 ARG 53 12.596 1.908 13.334 443 H ASP 54 H ASP 54 9.293 4.611 5.262 444 HA ASP 54 HA ASP 54 10.870 6.905 6.036 445 HB2 ASP 54 2HB ASP 54 10.865 5.052 3.611 446 HB3 ASP 54 1HB ASP 54 11.940 6.435 3.729 447 H GLU 55 H GLU 55 8.612 6.116 3.431 448 HA GLU 55 HA GLU 55 9.030 8.464 1.916 449 HB2 GLU 55 2HB GLU 55 8.361 6.185 1.070 450 HB3 GLU 55 1HB GLU 55 6.756 6.453 1.735 451 HG2 GLU 55 2HG GLU 55 6.780 6.820 -0.660 452 HG3 GLU 55 1HG GLU 55 6.415 8.324 0.186 453 H MET 56 H MET 56 6.114 7.434 3.778 454 HA MET 56 HA MET 56 5.112 10.213 3.734 455 HB2 MET 56 2HB MET 56 3.829 7.557 4.348 456 HB3 MET 56 1HB MET 56 3.133 8.996 5.081 457 HG2 MET 56 2HG MET 56 1.988 8.406 3.000 458 HG3 MET 56 1HG MET 56 2.762 9.986 2.891 459 HE1 MET 56 3HE MET 56 4.316 6.355 2.569 460 HE2 MET 56 1HE MET 56 4.301 6.164 0.815 461 HE3 MET 56 2HE MET 56 2.781 6.255 1.705 462 H GLY 57 H GLY 57 7.091 8.366 5.694 463 HA2 GLY 57 2HA GLY 57 8.036 8.815 7.737 464 HA3 GLY 57 1HA GLY 57 7.086 10.292 7.829 465 H VAL 58 H VAL 58 5.501 7.194 7.310 466 HA VAL 58 HA VAL 58 4.839 6.941 10.171 467 HB VAL 58 HB VAL 58 2.967 8.280 9.306 468 HG11 VAL 58 1HG1 VAL 58 1.458 7.503 7.510 469 HG12 VAL 58 2HG1 VAL 58 2.513 6.117 7.225 470 HG13 VAL 58 3HG1 VAL 58 3.098 7.751 6.902 471 HG21 VAL 58 3HG2 VAL 58 2.104 5.403 9.712 472 HG22 VAL 58 1HG2 VAL 58 1.080 6.828 9.913 473 HG23 VAL 58 2HG2 VAL 58 2.448 6.562 10.998 474 H SER 59 H SER 59 5.402 4.923 10.675 475 HA SER 59 HA SER 59 5.505 2.730 8.818 476 HB2 SER 59 2HB SER 59 5.960 1.439 11.012 477 HB3 SER 59 1HB SER 59 7.091 2.731 10.620 478 HG SER 59 HG SER 59 4.868 3.014 12.371 479 H ILE 60 H ILE 60 3.884 1.265 8.406 480 HA ILE 60 HA ILE 60 1.332 1.405 9.762 481 HB ILE 60 HB ILE 60 2.263 -0.909 8.002 482 HG12 ILE 60 2HG1 ILE 60 2.434 1.374 6.803 483 HG13 ILE 60 1HG1 ILE 60 1.422 0.158 6.030 484 HG21 ILE 60 1HG2 ILE 60 -0.182 -1.223 7.645 485 HG22 ILE 60 2HG2 ILE 60 -0.517 0.114 8.747 486 HG23 ILE 60 3HG2 ILE 60 0.257 -1.353 9.346 487 HD11 ILE 60 3HD1 ILE 60 0.476 2.505 7.667 488 HD12 ILE 60 1HD1 ILE 60 -0.579 1.252 6.999 489 HD13 ILE 60 2HD1 ILE 60 0.350 2.301 5.921 490 HA PRO 61 HA PRO 61 3.111 -1.225 13.086 491 HB2 PRO 61 2HB PRO 61 1.095 -0.908 14.896 492 HB3 PRO 61 1HB PRO 61 2.257 0.394 14.566 493 HG2 PRO 61 2HG PRO 61 -0.505 0.034 13.440 494 HG3 PRO 61 1HG PRO 61 0.236 1.488 14.149 495 HD2 PRO 61 2HD PRO 61 0.101 1.103 11.471 496 HD3 PRO 61 1HD PRO 61 1.462 1.961 12.228 497 H SER 62 H SER 62 2.324 -3.161 14.249 498 HA SER 62 HA SER 62 1.314 -5.072 12.472 499 HB2 SER 62 2HB SER 62 1.378 -6.572 14.508 500 HB3 SER 62 1HB SER 62 2.873 -5.684 14.202 501 HG SER 62 HG SER 62 1.633 -5.719 16.440 502 H THR 63 H THR 63 -0.344 -3.073 14.817 503 HA THR 63 HA THR 63 -2.785 -4.554 14.967 504 HB THR 63 HB THR 63 -2.076 -2.969 16.747 505 HG1 THR 63 HG1 THR 63 -4.281 -3.514 16.494 506 HG21 THR 63 3HG2 THR 63 -2.369 -0.543 16.479 507 HG22 THR 63 1HG2 THR 63 -2.764 -0.763 14.773 508 HG23 THR 63 2HG2 THR 63 -1.145 -1.145 15.361 509 H HIS 64 H HIS 64 -1.518 -2.104 12.796 510 HA HIS 64 HA HIS 64 -4.090 -1.866 11.355 511 HB2 HIS 64 2HB HIS 64 -1.612 -0.131 11.421 512 HB3 HIS 64 1HB HIS 64 -2.803 0.024 10.126 513 HD1 HIS 64 HD1 HIS 64 -2.121 1.249 13.490 514 HD2 HIS 64 HD2 HIS 64 -5.508 0.572 11.188 515 HE1 HIS 64 HE1 HIS 64 -3.966 2.506 14.625 516 HE2 HIS 64 HE2 HIS 64 -6.030 1.971 13.286 517 H ILE 65 H ILE 65 -1.669 -3.997 11.283 518 HA ILE 65 HA ILE 65 -1.515 -4.245 8.384 519 HB ILE 65 HB ILE 65 -0.658 -6.304 10.469 520 HG12 ILE 65 2HG1 ILE 65 0.641 -4.221 10.754 521 HG13 ILE 65 1HG1 ILE 65 1.658 -5.493 10.092 522 HG21 ILE 65 1HG2 ILE 65 -1.040 -7.264 8.232 523 HG22 ILE 65 2HG2 ILE 65 0.681 -7.260 8.608 524 HG23 ILE 65 3HG2 ILE 65 0.017 -6.052 7.503 525 HD11 ILE 65 3HD1 ILE 65 1.474 -4.523 7.886 526 HD12 ILE 65 1HD1 ILE 65 2.053 -3.337 9.058 527 HD13 ILE 65 2HD1 ILE 65 0.378 -3.284 8.504 528 H THR 66 H THR 66 -3.582 -4.461 7.691 529 HA THR 66 HA THR 66 -4.836 -7.027 8.096 530 HB THR 66 HB THR 66 -5.955 -5.877 9.879 531 HG1 THR 66 HG1 THR 66 -7.331 -7.036 8.375 532 HG21 THR 66 3HG2 THR 66 -6.530 -3.598 7.963 533 HG22 THR 66 1HG2 THR 66 -5.368 -3.561 9.294 534 HG23 THR 66 2HG2 THR 66 -7.095 -3.716 9.631 535 H GLY 67 H GLY 67 -6.179 -7.611 6.415 536 HA2 GLY 67 2HA GLY 67 -5.491 -6.698 3.857 537 HA3 GLY 67 1HA GLY 67 -6.816 -7.781 4.245 538 H LYS 68 H LYS 68 -8.178 -5.800 5.964 539 HA LYS 68 HA LYS 68 -9.867 -4.692 3.961 540 HB2 LYS 68 2HB LYS 68 -11.169 -3.744 5.815 541 HB3 LYS 68 1HB LYS 68 -10.778 -5.435 6.087 542 HG2 LYS 68 2HG LYS 68 -9.068 -4.856 7.694 543 HG3 LYS 68 1HG LYS 68 -9.256 -3.133 7.349 544 HD2 LYS 68 2HD LYS 68 -11.467 -3.106 8.331 545 HD3 LYS 68 1HD LYS 68 -11.492 -4.868 8.462 546 HE2 LYS 68 2HE LYS 68 -9.584 -3.044 9.959 547 HE3 LYS 68 1HE LYS 68 -11.049 -3.753 10.639 548 HZ1 LYS 68 3HZ LYS 68 -8.756 -5.307 9.574 549 HZ2 LYS 68 1HZ LYS 68 -10.132 -5.939 10.315 550 HZ3 LYS 68 2HZ LYS 68 -9.048 -5.006 11.203 551 H TYR 69 H TYR 69 -7.201 -3.303 5.790 552 HA TYR 69 HA TYR 69 -7.801 -0.585 4.827 553 HB2 TYR 69 2HB TYR 69 -5.651 -1.656 6.685 554 HB3 TYR 69 1HB TYR 69 -5.735 0.028 6.167 555 HD1 TYR 69 HD2 TYR 69 -8.994 -0.076 6.314 556 HD2 TYR 69 HD1 TYR 69 -5.817 -0.904 9.060 557 HE1 TYR 69 HE2 TYR 69 -10.480 0.444 8.192 558 HE2 TYR 69 HE1 TYR 69 -7.309 -0.379 10.929 559 HH TYR 69 HH TYR 69 -9.369 0.912 11.362 560 H PHE 70 H PHE 70 -5.980 -3.305 3.865 561 HA PHE 70 HA PHE 70 -4.176 -1.725 2.136 562 HB2 PHE 70 2HB PHE 70 -4.042 -4.559 3.205 563 HB3 PHE 70 1HB PHE 70 -3.103 -4.104 1.793 564 HD1 PHE 70 HD2 PHE 70 -3.583 -3.331 5.426 565 HD2 PHE 70 HD1 PHE 70 -1.036 -2.931 2.010 566 HE1 PHE 70 HE2 PHE 70 -1.763 -2.543 6.866 567 HE2 PHE 70 HE1 PHE 70 0.781 -2.136 3.463 568 HZ PHE 70 HZ PHE 70 0.423 -1.946 5.894 569 H LYS 71 H LYS 71 -7.207 -2.831 1.800 570 HA LYS 71 HA LYS 71 -7.392 -4.881 -0.023 571 HB2 LYS 71 2HB LYS 71 -9.155 -2.399 0.007 572 HB3 LYS 71 1HB LYS 71 -9.546 -3.896 -0.842 573 HG2 LYS 71 2HG LYS 71 -9.530 -5.072 1.366 574 HG3 LYS 71 1HG LYS 71 -9.299 -3.503 2.133 575 HD2 LYS 71 2HD LYS 71 -11.698 -4.312 0.439 576 HD3 LYS 71 1HD LYS 71 -11.667 -4.187 2.196 577 HE2 LYS 71 2HE LYS 71 -12.711 -2.180 1.516 578 HE3 LYS 71 1HE LYS 71 -11.046 -1.687 1.809 579 HZ1 LYS 71 3HZ LYS 71 -12.112 -2.379 -0.874 580 HZ2 LYS 71 1HZ LYS 71 -10.622 -1.670 -0.519 581 HZ3 LYS 71 2HZ LYS 71 -12.045 -0.804 -0.268 582 H ASP 72 H ASP 72 -7.095 -1.468 -0.794 583 HA ASP 72 HA ASP 72 -6.134 -1.922 -3.469 584 HB2 ASP 72 2HB ASP 72 -7.984 -0.883 -4.665 585 HB3 ASP 72 1HB ASP 72 -8.652 -2.191 -3.697 586 H LEU 73 H LEU 73 -6.304 0.538 -4.511 587 HA LEU 73 HA LEU 73 -4.289 1.805 -2.951 588 HB2 LEU 73 2HB LEU 73 -4.320 1.784 -5.444 589 HB3 LEU 73 1HB LEU 73 -5.654 2.932 -5.412 590 HG LEU 73 HG LEU 73 -4.220 4.641 -4.354 591 HD11 LEU 73 1HD1 LEU 73 -2.838 3.148 -2.943 592 HD12 LEU 73 2HD1 LEU 73 -1.827 4.218 -3.902 593 HD13 LEU 73 3HD1 LEU 73 -2.019 2.533 -4.383 594 HD21 LEU 73 3HD2 LEU 73 -2.583 5.016 -6.171 595 HD22 LEU 73 1HD2 LEU 73 -4.155 4.537 -6.812 596 HD23 LEU 73 2HD2 LEU 73 -2.837 3.365 -6.744 597 H ASN 74 H ASN 74 -7.689 2.407 -3.429 598 HA ASN 74 HA ASN 74 -7.803 5.005 -2.236 599 HB2 ASN 74 2HB ASN 74 -9.988 2.913 -2.634 600 HB3 ASN 74 1HB ASN 74 -10.266 4.583 -2.139 601 HD21 ASN 74 1HD2 ASN 74 -9.351 2.491 -4.791 602 HD22 ASN 74 2HD2 ASN 74 -9.527 3.686 -6.032 603 H ALA 75 H ALA 75 -8.288 1.670 -1.019 604 HA ALA 75 HA ALA 75 -9.085 2.205 1.605 605 HB1 ALA 75 3HB ALA 75 -9.109 -0.041 0.609 606 HB2 ALA 75 1HB ALA 75 -8.247 -0.049 2.153 607 HB3 ALA 75 2HB ALA 75 -7.346 -0.086 0.634 608 H ILE 76 H ILE 76 -5.797 1.974 0.295 609 HA ILE 76 HA ILE 76 -4.426 2.365 2.789 610 HB ILE 76 HB ILE 76 -3.429 2.424 -0.087 611 HG12 ILE 76 2HG1 ILE 76 -3.156 0.377 2.154 612 HG13 ILE 76 1HG1 ILE 76 -4.188 0.204 0.737 613 HG21 ILE 76 1HG2 ILE 76 -1.738 2.564 2.454 614 HG22 ILE 76 2HG2 ILE 76 -1.951 3.879 1.299 615 HG23 ILE 76 3HG2 ILE 76 -1.107 2.410 0.807 616 HD11 ILE 76 3HD1 ILE 76 -2.168 0.130 -0.668 617 HD12 ILE 76 1HD1 ILE 76 -2.230 -1.152 0.544 618 HD13 ILE 76 2HD1 ILE 76 -1.177 0.242 0.794 619 H SER 77 H SER 77 -5.231 4.510 0.025 620 HA SER 77 HA SER 77 -3.733 6.734 0.958 621 HB2 SER 77 2HB SER 77 -5.058 8.057 -0.685 622 HB3 SER 77 1HB SER 77 -4.409 6.573 -1.374 623 HG SER 77 HG SER 77 -6.795 6.021 -0.383 624 H ARG 78 H ARG 78 -6.790 5.495 1.985 625 HA ARG 78 HA ARG 78 -7.540 7.933 3.404 626 HB2 ARG 78 2HB ARG 78 -8.801 5.165 3.511 627 HB3 ARG 78 1HB ARG 78 -9.466 6.627 4.243 628 HG2 ARG 78 2HG ARG 78 -9.117 6.075 1.284 629 HG3 ARG 78 1HG ARG 78 -10.633 6.169 2.173 630 HD2 ARG 78 2HD ARG 78 -10.290 8.554 2.574 631 HD3 ARG 78 1HD ARG 78 -8.703 8.486 1.796 632 HE ARG 78 HE ARG 78 -10.320 7.581 -0.148 633 HH11 ARG 78 1HH1 ARG 78 -10.469 10.462 1.836 634 HH12 ARG 78 2HH1 ARG 78 -11.275 11.396 0.619 635 HH21 ARG 78 1HH2 ARG 78 -11.389 8.793 -1.709 636 HH22 ARG 78 2HH2 ARG 78 -11.796 10.449 -1.394 637 H THR 79 H THR 79 -6.452 4.629 4.211 638 HA THR 79 HA THR 79 -6.486 4.885 7.012 639 HB THR 79 HB THR 79 -4.748 3.040 5.316 640 HG1 THR 79 HG1 THR 79 -6.566 2.042 4.944 641 HG21 THR 79 3HG2 THR 79 -3.972 3.089 7.682 642 HG22 THR 79 1HG2 THR 79 -4.733 1.543 7.291 643 HG23 THR 79 2HG2 THR 79 -5.618 2.750 8.224 644 H VAL 80 H VAL 80 -3.978 5.631 4.663 645 HA VAL 80 HA VAL 80 -1.815 5.901 6.497 646 HB VAL 80 HB VAL 80 -1.579 5.422 4.015 647 HG11 VAL 80 1HG1 VAL 80 -2.094 8.400 3.653 648 HG12 VAL 80 2HG1 VAL 80 -3.163 7.094 3.126 649 HG13 VAL 80 3HG1 VAL 80 -1.563 7.277 2.400 650 HG21 VAL 80 3HG2 VAL 80 0.497 6.724 3.706 651 HG22 VAL 80 1HG2 VAL 80 0.385 6.062 5.339 652 HG23 VAL 80 2HG2 VAL 80 0.047 7.772 5.054 653 H GLU 81 H GLU 81 -4.258 8.125 5.228 654 HA GLU 81 HA GLU 81 -3.192 10.550 6.310 655 HB2 GLU 81 2HB GLU 81 -6.025 9.757 5.539 656 HB3 GLU 81 1HB GLU 81 -5.591 11.382 6.058 657 HG2 GLU 81 2HG GLU 81 -4.535 9.948 3.605 658 HG3 GLU 81 1HG GLU 81 -5.748 11.224 3.615 659 H GLN 82 H GLN 82 -5.470 8.111 7.473 660 HA GLN 82 HA GLN 82 -6.259 9.310 9.900 661 HB2 GLN 82 2HB GLN 82 -6.011 6.346 9.251 662 HB3 GLN 82 1HB GLN 82 -6.915 7.016 10.605 663 HG2 GLN 82 2HG GLN 82 -7.533 7.419 7.669 664 HG3 GLN 82 1HG GLN 82 -8.396 6.366 8.784 665 HE21 GLN 82 1HE2 GLN 82 -9.689 7.303 10.403 666 HE22 GLN 82 2HE2 GLN 82 -10.267 8.927 10.282 667 H LEU 83 H LEU 83 -3.590 7.161 9.109 668 HA LEU 83 HA LEU 83 -2.624 6.799 11.760 669 HB2 LEU 83 2HB LEU 83 -1.243 6.361 9.097 670 HB3 LEU 83 1HB LEU 83 -0.595 5.861 10.655 671 HG LEU 83 HG LEU 83 -3.138 4.811 9.363 672 HD11 LEU 83 1HD1 LEU 83 -0.490 3.460 9.907 673 HD12 LEU 83 2HD1 LEU 83 -1.092 3.978 8.331 674 HD13 LEU 83 3HD1 LEU 83 -1.928 2.700 9.213 675 HD21 LEU 83 3HD2 LEU 83 -1.911 4.081 12.048 676 HD22 LEU 83 1HD2 LEU 83 -3.263 3.243 11.272 677 HD23 LEU 83 2HD2 LEU 83 -3.448 4.913 11.794 678 H LYS 84 H LYS 84 -1.723 9.052 9.149 679 HA LYS 84 HA LYS 84 0.398 10.285 10.651 680 HB2 LYS 84 2HB LYS 84 -1.162 11.302 8.242 681 HB3 LYS 84 1HB LYS 84 0.232 12.135 8.932 682 HG2 LYS 84 2HG LYS 84 1.611 10.098 8.497 683 HG3 LYS 84 1HG LYS 84 0.224 9.363 7.701 684 HD2 LYS 84 2HD LYS 84 1.549 11.944 6.786 685 HD3 LYS 84 1HD LYS 84 1.937 10.352 6.142 686 HE2 LYS 84 2HE LYS 84 0.429 11.272 4.569 687 HE3 LYS 84 1HE LYS 84 -0.564 10.176 5.527 688 HZ1 LYS 84 3HZ LYS 84 -1.614 12.335 5.086 689 HZ2 LYS 84 1HZ LYS 84 -0.398 13.107 5.969 690 HZ3 LYS 84 2HZ LYS 84 -1.441 12.030 6.737 691 H ALA 85 H ALA 85 -3.051 10.664 10.624 692 HA ALA 85 HA ALA 85 -3.188 13.169 12.021 693 HB1 ALA 85 3HB ALA 85 -5.552 12.611 12.345 694 HB2 ALA 85 1HB ALA 85 -5.254 10.946 11.840 695 HB3 ALA 85 2HB ALA 85 -5.072 12.267 10.679 696 H GLU 86 H GLU 86 -3.260 9.742 12.969 697 HA GLU 86 HA GLU 86 -3.620 10.153 15.780 698 HB2 GLU 86 2HB GLU 86 -2.556 7.778 14.198 699 HB3 GLU 86 1HB GLU 86 -2.904 7.727 15.923 700 HG2 GLU 86 2HG GLU 86 -4.911 8.179 13.690 701 HG3 GLU 86 1HG GLU 86 -4.723 6.719 14.652 702 H SER 87 H SER 87 -0.819 9.447 13.767 703 HA SER 87 HA SER 87 1.148 9.450 15.838 704 HB2 SER 87 2HB SER 87 1.379 8.145 13.737 705 HB3 SER 87 1HB SER 87 1.446 9.640 12.807 706 HG SER 87 HG SER 87 3.338 10.150 13.943 707 H ALA 88 H ALA 88 -0.466 11.950 14.166 708 HA ALA 88 HA ALA 88 -0.351 14.178 14.072 709 HB1 ALA 88 3HB ALA 88 1.982 13.996 15.998 710 HB2 ALA 88 1HB ALA 88 0.281 14.142 16.436 711 HB3 ALA 88 2HB ALA 88 1.087 15.465 15.594 712 H LEU 89 H LEU 89 0.278 15.227 12.304 713 HA LEU 89 HA LEU 89 2.681 14.254 10.917 714 HB2 LEU 89 2HB LEU 89 1.658 15.228 8.837 715 HB3 LEU 89 1HB LEU 89 0.766 13.920 9.557 716 HG LEU 89 HG LEU 89 -0.694 15.687 8.534 717 HD11 LEU 89 1HD1 LEU 89 -2.320 15.903 10.384 718 HD12 LEU 89 2HD1 LEU 89 -1.085 15.351 11.521 719 HD13 LEU 89 3HD1 LEU 89 -1.669 14.269 10.254 720 HD21 LEU 89 3HD2 LEU 89 0.263 17.507 10.762 721 HD22 LEU 89 1HD2 LEU 89 -1.004 17.874 9.587 722 HD23 LEU 89 2HD2 LEU 89 0.666 17.682 9.052 723 H GLU 90 H GLU 90 2.427 16.529 13.039 724 HA GLU 90 HA GLU 90 3.335 18.903 11.712 725 HB2 GLU 90 2HB GLU 90 3.391 18.061 14.648 726 HB3 GLU 90 1HB GLU 90 3.970 19.624 14.079 727 HG2 GLU 90 2HG GLU 90 1.715 19.785 15.009 728 HG3 GLU 90 1HG GLU 90 1.749 20.229 13.307 729 H281 4EM 101 2H28 PYA 142 1.911 -10.673 8.265 730 H283 4EM 101 3H28 PYA 142 1.758 -12.405 8.534 731 H303 4EM 101 3H30 PYA 142 -1.561 -9.806 9.196 732 H301 4EM 101 1H30 PYA 142 -0.999 -10.184 7.561 733 H302 4EM 101 2H30 PYA 142 -0.024 -9.163 8.628 734 H312 4EM 101 2H31 PYA 142 -0.383 -10.862 11.196 735 H313 4EM 101 3H31 PYA 142 1.015 -11.901 10.921 736 H311 4EM 101 1H31 PYA 142 1.134 -10.165 10.607 737 H32 4EM 101 H32 PYA 142 -1.284 -12.585 8.023 738 H33 4EM 101 H33 PYA 142 0.403 -13.894 8.716 739 H36 4EM 101 H36 PYA 142 -1.631 -13.905 10.996 740 H373 4EM 101 3H37 PYA 142 -3.486 -14.305 12.278 741 H372 4EM 101 2H37 PYA 142 -3.079 -12.686 12.820 742 H382 4EM 101 2H38 PYA 142 -4.713 -11.732 11.251 743 H383 4EM 101 3H38 PYA 142 -5.482 -12.868 12.356 744 H41 4EM 101 H41 PYA 142 -4.967 -12.002 9.116 745 H423 4EM 101 3H42 PYA 142 -6.746 -14.043 8.094 746 H422 4EM 101 2H42 PYA 142 -5.081 -14.140 7.507 747 H433 4EM 101 3H43 PYA 142 -6.876 -11.718 7.240 748 H432 4EM 101 2H43 PYA 142 -6.564 -12.897 5.962 749 H44 4EM 101 H44 PYA 142 -4.293 -12.361 6.155 750 H49 4EM 101 H49 PYA 142 -3.472 -8.158 7.212 751 H51 4EM 101 H51 PYA 142 -1.172 -8.055 5.973 752 H50 4EM 101 H50 PYA 142 -0.861 -10.286 4.682 753 H48 4EM 101 H48 PYA 142 -3.029 -11.628 4.989 Start of MODEL 5 1 H1 MET 1 1H MET 1 2.173 18.220 -4.416 2 H2 MET 1 2H MET 1 1.734 19.637 -3.614 3 H3 MET 1 3H MET 1 0.578 18.444 -3.920 4 HA MET 1 HA MET 1 2.935 18.157 -2.172 5 HB2 MET 1 2HB MET 1 1.318 18.106 -0.306 6 HB3 MET 1 1HB MET 1 1.246 19.627 -1.172 7 HG2 MET 1 2HG MET 1 -0.817 18.854 -2.321 8 HG3 MET 1 1HG MET 1 -0.756 17.362 -1.376 9 HE1 MET 1 3HE MET 1 -3.272 19.458 -1.473 10 HE2 MET 1 1HE MET 1 -3.745 19.512 0.228 11 HE3 MET 1 2HE MET 1 -3.346 17.970 -0.528 12 H ASP 2 H ASP 2 2.322 16.231 -0.588 13 HA ASP 2 HA ASP 2 2.094 13.831 -2.169 14 HB2 ASP 2 2HB ASP 2 2.498 12.650 -0.068 15 HB3 ASP 2 1HB ASP 2 3.616 14.001 -0.199 16 H GLY 3 H GLY 3 0.661 12.193 -0.251 17 HA2 GLY 3 2HA GLY 3 -1.470 11.654 0.489 18 HA3 GLY 3 1HA GLY 3 -2.058 13.211 -0.091 19 H GLU 4 H GLU 4 -1.833 13.427 -2.573 20 HA GLU 4 HA GLU 4 -3.121 11.140 -3.865 21 HB2 GLU 4 2HB GLU 4 -2.498 13.912 -4.962 22 HB3 GLU 4 1HB GLU 4 -3.464 12.686 -5.775 23 HG2 GLU 4 2HG GLU 4 -5.100 12.771 -3.896 24 HG3 GLU 4 1HG GLU 4 -4.160 14.082 -3.178 25 H GLU 5 H GLU 5 -0.178 13.039 -4.150 26 HA GLU 5 HA GLU 5 0.982 12.050 -6.471 27 HB2 GLU 5 2HB GLU 5 1.820 14.014 -5.327 28 HB3 GLU 5 1HB GLU 5 2.221 13.078 -3.890 29 HG2 GLU 5 2HG GLU 5 3.938 11.852 -5.232 30 HG3 GLU 5 1HG GLU 5 3.559 12.895 -6.601 31 H VAL 6 H VAL 6 1.163 10.810 -3.191 32 HA VAL 6 HA VAL 6 3.178 8.869 -3.749 33 HB VAL 6 HB VAL 6 2.936 9.983 -1.542 34 HG11 VAL 6 1HG1 VAL 6 1.245 9.221 0.086 35 HG12 VAL 6 2HG1 VAL 6 0.471 8.250 -1.165 36 HG13 VAL 6 3HG1 VAL 6 0.492 10.010 -1.304 37 HG21 VAL 6 3HG2 VAL 6 2.776 6.963 -1.431 38 HG22 VAL 6 1HG2 VAL 6 3.444 8.008 -0.178 39 HG23 VAL 6 2HG2 VAL 6 4.227 7.914 -1.757 40 H LYS 7 H LYS 7 -0.306 8.849 -3.842 41 HA LYS 7 HA LYS 7 -1.006 6.244 -3.226 42 HB2 LYS 7 2HB LYS 7 -2.209 8.038 -5.387 43 HB3 LYS 7 1HB LYS 7 -2.961 6.564 -4.796 44 HG2 LYS 7 2HG LYS 7 -2.969 7.627 -2.501 45 HG3 LYS 7 1HG LYS 7 -2.475 9.121 -3.293 46 HD2 LYS 7 2HD LYS 7 -5.043 7.586 -3.850 47 HD3 LYS 7 1HD LYS 7 -4.911 9.059 -2.899 48 HE2 LYS 7 2HE LYS 7 -5.682 9.843 -4.958 49 HE3 LYS 7 1HE LYS 7 -3.951 10.106 -5.094 50 HZ1 LYS 7 3HZ LYS 7 -3.763 8.137 -6.429 51 HZ2 LYS 7 1HZ LYS 7 -4.945 9.139 -7.090 52 HZ3 LYS 7 2HZ LYS 7 -5.397 7.767 -6.214 53 H GLU 8 H GLU 8 -0.262 7.493 -6.460 54 HA GLU 8 HA GLU 8 -0.365 4.967 -7.765 55 HB2 GLU 8 2HB GLU 8 0.610 6.217 -9.713 56 HB3 GLU 8 1HB GLU 8 -0.847 6.935 -9.039 57 HG2 GLU 8 2HG GLU 8 0.560 8.591 -7.818 58 HG3 GLU 8 1HG GLU 8 1.993 7.900 -8.583 59 H LYS 9 H LYS 9 2.275 6.755 -6.223 60 HA LYS 9 HA LYS 9 4.405 5.208 -7.319 61 HB2 LYS 9 2HB LYS 9 4.382 6.683 -4.661 62 HB3 LYS 9 1HB LYS 9 5.805 6.112 -5.525 63 HG2 LYS 9 2HG LYS 9 5.150 7.680 -7.417 64 HG3 LYS 9 1HG LYS 9 3.941 8.359 -6.322 65 HD2 LYS 9 2HD LYS 9 6.957 8.361 -5.979 66 HD3 LYS 9 1HD LYS 9 5.911 9.753 -6.229 67 HE2 LYS 9 2HE LYS 9 4.916 9.425 -4.006 68 HE3 LYS 9 1HE LYS 9 5.915 7.991 -3.753 69 HZ1 LYS 9 3HZ LYS 9 6.858 9.897 -2.661 70 HZ2 LYS 9 1HZ LYS 9 6.925 10.764 -4.114 71 HZ3 LYS 9 2HZ LYS 9 7.883 9.384 -3.898 72 H ILE 10 H ILE 10 2.177 4.689 -4.668 73 HA ILE 10 HA ILE 10 3.464 2.489 -3.414 74 HB ILE 10 HB ILE 10 0.460 2.962 -3.682 75 HG12 ILE 10 2HG1 ILE 10 1.467 4.912 -2.631 76 HG13 ILE 10 1HG1 ILE 10 0.618 3.991 -1.399 77 HG21 ILE 10 1HG2 ILE 10 0.937 0.665 -2.982 78 HG22 ILE 10 2HG2 ILE 10 0.253 1.574 -1.633 79 HG23 ILE 10 3HG2 ILE 10 1.987 1.250 -1.689 80 HD11 ILE 10 3HD1 ILE 10 2.724 4.841 -0.554 81 HD12 ILE 10 1HD1 ILE 10 3.607 4.032 -1.849 82 HD13 ILE 10 2HD1 ILE 10 2.771 3.078 -0.616 83 H ARG 11 H ARG 11 1.141 2.706 -6.116 84 HA ARG 11 HA ARG 11 0.956 -0.033 -6.745 85 HB2 ARG 11 2HB ARG 11 0.651 2.399 -8.529 86 HB3 ARG 11 1HB ARG 11 0.410 0.760 -9.126 87 HG2 ARG 11 2HG ARG 11 -1.217 2.219 -7.041 88 HG3 ARG 11 1HG ARG 11 -1.742 1.656 -8.628 89 HD2 ARG 11 2HD ARG 11 -1.160 -0.722 -7.726 90 HD3 ARG 11 1HD ARG 11 -1.172 0.038 -6.137 91 HE ARG 11 HE ARG 11 -3.535 0.377 -7.819 92 HH11 ARG 11 1HH1 ARG 11 -2.067 -1.257 -5.120 93 HH12 ARG 11 2HH1 ARG 11 -3.573 -1.843 -4.492 94 HH21 ARG 11 1HH2 ARG 11 -5.506 -0.421 -7.028 95 HH22 ARG 11 2HH2 ARG 11 -5.538 -1.373 -5.577 96 H ARG 12 H ARG 12 3.177 2.428 -8.029 97 HA ARG 12 HA ARG 12 4.555 0.804 -9.870 98 HB2 ARG 12 2HB ARG 12 5.196 3.412 -8.483 99 HB3 ARG 12 1HB ARG 12 6.488 2.594 -9.349 100 HG2 ARG 12 2HG ARG 12 5.512 4.242 -10.818 101 HG3 ARG 12 1HG ARG 12 5.095 2.639 -11.419 102 HD2 ARG 12 2HD ARG 12 2.858 2.867 -10.379 103 HD3 ARG 12 1HD ARG 12 3.285 4.490 -9.842 104 HE ARG 12 HE ARG 12 2.945 3.638 -12.655 105 HH11 ARG 12 1HH1 ARG 12 2.939 6.196 -10.259 106 HH12 ARG 12 2HH1 ARG 12 2.337 7.394 -11.360 107 HH21 ARG 12 1HH2 ARG 12 2.117 5.202 -14.072 108 HH22 ARG 12 2HH2 ARG 12 1.873 6.827 -13.516 109 H TYR 13 H TYR 13 5.188 1.453 -6.463 110 HA TYR 13 HA TYR 13 7.616 0.031 -6.174 111 HB2 TYR 13 2HB TYR 13 6.911 1.612 -4.485 112 HB3 TYR 13 1HB TYR 13 5.435 0.710 -4.177 113 HD1 TYR 13 HD1 TYR 13 9.163 0.069 -4.172 114 HD2 TYR 13 HD2 TYR 13 5.423 -0.560 -2.198 115 HE1 TYR 13 HE1 TYR 13 10.326 -1.085 -2.360 116 HE2 TYR 13 HE2 TYR 13 6.601 -1.718 -0.373 117 HH TYR 13 HH TYR 13 9.862 -1.526 0.139 118 H ILE 14 H ILE 14 4.245 -1.002 -5.711 119 HA ILE 14 HA ILE 14 4.760 -3.631 -4.796 120 HB ILE 14 HB ILE 14 2.283 -2.462 -6.144 121 HG12 ILE 14 2HG1 ILE 14 2.843 -3.044 -3.198 122 HG13 ILE 14 1HG1 ILE 14 2.958 -1.449 -3.928 123 HG21 ILE 14 1HG2 ILE 14 2.265 -4.912 -6.409 124 HG22 ILE 14 2HG2 ILE 14 1.041 -4.420 -5.241 125 HG23 ILE 14 3HG2 ILE 14 2.562 -5.119 -4.683 126 HD11 ILE 14 3HD1 ILE 14 0.905 -1.674 -2.715 127 HD12 ILE 14 1HD1 ILE 14 0.468 -3.115 -3.629 128 HD13 ILE 14 2HD1 ILE 14 0.549 -1.546 -4.437 129 H MET 15 H MET 15 4.134 -2.337 -8.053 130 HA MET 15 HA MET 15 4.093 -4.858 -9.391 131 HB2 MET 15 2HB MET 15 4.657 -2.069 -10.515 132 HB3 MET 15 1HB MET 15 4.285 -3.499 -11.475 133 HG2 MET 15 2HG MET 15 2.445 -2.188 -9.476 134 HG3 MET 15 1HG MET 15 2.340 -2.044 -11.228 135 HE1 MET 15 3HE MET 15 1.265 -5.588 -12.335 136 HE2 MET 15 1HE MET 15 2.880 -4.885 -12.313 137 HE3 MET 15 2HE MET 15 1.500 -3.910 -12.819 138 H GLU 16 H GLU 16 6.718 -2.435 -8.945 139 HA GLU 16 HA GLU 16 8.472 -3.897 -10.720 140 HB2 GLU 16 2HB GLU 16 8.999 -1.463 -8.986 141 HB3 GLU 16 1HB GLU 16 10.143 -2.125 -10.145 142 HG2 GLU 16 2HG GLU 16 7.464 -0.851 -10.730 143 HG3 GLU 16 1HG GLU 16 9.061 -0.234 -11.144 144 H ASP 17 H ASP 17 8.159 -3.551 -7.222 145 HA ASP 17 HA ASP 17 10.603 -5.142 -6.761 146 HB2 ASP 17 2HB ASP 17 10.288 -3.042 -5.450 147 HB3 ASP 17 1HB ASP 17 8.810 -3.702 -4.761 148 H LEU 18 H LEU 18 7.188 -5.111 -5.652 149 HA LEU 18 HA LEU 18 7.450 -7.598 -4.274 150 HB2 LEU 18 2HB LEU 18 5.032 -5.898 -4.914 151 HB3 LEU 18 1HB LEU 18 4.912 -7.399 -4.026 152 HG LEU 18 HG LEU 18 6.395 -6.425 -2.246 153 HD11 LEU 18 1HD1 LEU 18 6.065 -3.798 -3.726 154 HD12 LEU 18 2HD1 LEU 18 7.576 -4.691 -3.561 155 HD13 LEU 18 3HD1 LEU 18 6.794 -4.011 -2.134 156 HD21 LEU 18 3HD2 LEU 18 4.679 -4.987 -1.261 157 HD22 LEU 18 1HD2 LEU 18 3.956 -6.412 -2.004 158 HD23 LEU 18 2HD2 LEU 18 3.875 -4.850 -2.828 159 H ILE 19 H ILE 19 5.918 -6.741 -7.402 160 HA ILE 19 HA ILE 19 5.364 -9.535 -8.032 161 HB ILE 19 HB ILE 19 5.086 -7.012 -9.721 162 HG12 ILE 19 2HG1 ILE 19 2.652 -7.577 -9.761 163 HG13 ILE 19 1HG1 ILE 19 2.969 -8.952 -8.732 164 HG21 ILE 19 1HG2 ILE 19 4.513 -9.868 -10.586 165 HG22 ILE 19 2HG2 ILE 19 5.780 -8.818 -11.224 166 HG23 ILE 19 3HG2 ILE 19 4.084 -8.424 -11.509 167 HD11 ILE 19 3HD1 ILE 19 3.605 -7.465 -6.927 168 HD12 ILE 19 1HD1 ILE 19 1.975 -7.146 -7.517 169 HD13 ILE 19 2HD1 ILE 19 3.301 -6.075 -7.976 170 H GLY 20 H GLY 20 7.482 -6.954 -9.249 171 HA2 GLY 20 2HA GLY 20 9.884 -7.362 -9.513 172 HA3 GLY 20 1HA GLY 20 9.494 -8.967 -10.122 173 HA PRO 21 HA PRO 21 10.039 -6.279 -13.902 174 HB2 PRO 21 2HB PRO 21 11.582 -8.041 -15.320 175 HB3 PRO 21 1HB PRO 21 12.261 -6.958 -14.090 176 HG2 PRO 21 2HG PRO 21 11.518 -9.852 -13.821 177 HG3 PRO 21 1HG PRO 21 12.998 -9.012 -13.300 178 HD2 PRO 21 2HD PRO 21 10.986 -9.551 -11.568 179 HD3 PRO 21 1HD PRO 21 11.992 -8.094 -11.422 180 H SER 22 H SER 22 8.496 -9.198 -13.147 181 HA SER 22 HA SER 22 7.262 -9.578 -15.789 182 HB2 SER 22 2HB SER 22 6.802 -11.075 -13.177 183 HB3 SER 22 1HB SER 22 6.234 -11.574 -14.776 184 HG SER 22 HG SER 22 8.842 -11.517 -13.726 185 H ALA 23 H ALA 23 6.868 -7.152 -14.013 186 HA ALA 23 HA ALA 23 4.343 -7.062 -12.823 187 HB1 ALA 23 3HB ALA 23 4.546 -4.615 -12.999 188 HB2 ALA 23 1HB ALA 23 5.904 -4.811 -14.110 189 HB3 ALA 23 2HB ALA 23 6.043 -5.367 -12.437 190 H LYS 24 H LYS 24 2.387 -7.304 -13.705 191 HA LYS 24 HA LYS 24 1.989 -6.935 -16.590 192 HB2 LYS 24 2HB LYS 24 0.524 -8.579 -14.500 193 HB3 LYS 24 1HB LYS 24 -0.076 -8.370 -16.143 194 HG2 LYS 24 2HG LYS 24 1.753 -9.558 -17.077 195 HG3 LYS 24 1HG LYS 24 2.678 -9.494 -15.582 196 HD2 LYS 24 2HD LYS 24 0.034 -10.961 -15.748 197 HD3 LYS 24 1HD LYS 24 1.547 -11.724 -16.234 198 HE2 LYS 24 2HE LYS 24 1.083 -12.349 -13.949 199 HE3 LYS 24 1HE LYS 24 2.468 -11.261 -13.965 200 HZ1 LYS 24 3HZ LYS 24 -0.314 -10.479 -13.288 201 HZ2 LYS 24 1HZ LYS 24 1.039 -9.469 -13.237 202 HZ3 LYS 24 2HZ LYS 24 0.914 -10.770 -12.174 203 H GLU 25 H GLU 25 1.255 -4.934 -16.987 204 HA GLU 25 HA GLU 25 -0.368 -3.152 -15.718 205 HB2 GLU 25 2HB GLU 25 -1.316 -2.611 -18.013 206 HB3 GLU 25 1HB GLU 25 0.434 -2.710 -17.952 207 HG2 GLU 25 2HG GLU 25 0.377 -4.976 -18.878 208 HG3 GLU 25 1HG GLU 25 -1.385 -4.927 -18.911 209 H ASP 26 H ASP 26 -1.342 -6.235 -17.023 210 HA ASP 26 HA ASP 26 -4.062 -6.110 -17.268 211 HB2 ASP 26 2HB ASP 26 -2.417 -8.471 -16.255 212 HB3 ASP 26 1HB ASP 26 -4.035 -8.578 -16.939 213 H GLU 27 H GLU 27 -2.144 -6.606 -14.334 214 HA GLU 27 HA GLU 27 -4.535 -7.067 -12.681 215 HB2 GLU 27 2HB GLU 27 -3.059 -7.714 -10.930 216 HB3 GLU 27 1HB GLU 27 -2.393 -8.399 -12.402 217 HG2 GLU 27 2HG GLU 27 -0.883 -6.273 -12.419 218 HG3 GLU 27 1HG GLU 27 -1.341 -6.124 -10.728 219 H LEU 28 H LEU 28 -2.504 -4.424 -13.610 220 HA LEU 28 HA LEU 28 -2.671 -3.058 -11.086 221 HB2 LEU 28 2HB LEU 28 -0.634 -3.144 -12.698 222 HB3 LEU 28 1HB LEU 28 -1.444 -1.878 -13.597 223 HG LEU 28 HG LEU 28 0.343 -1.117 -11.927 224 HD11 LEU 28 1HD1 LEU 28 -1.319 0.504 -12.780 225 HD12 LEU 28 2HD1 LEU 28 -0.839 0.859 -11.123 226 HD13 LEU 28 3HD1 LEU 28 -2.394 0.090 -11.444 227 HD21 LEU 28 3HD2 LEU 28 -0.178 -1.022 -9.557 228 HD22 LEU 28 1HD2 LEU 28 -0.248 -2.697 -10.095 229 HD23 LEU 28 2HD2 LEU 28 -1.741 -1.795 -9.819 230 H ASP 29 H ASP 29 -4.284 -1.893 -10.523 231 HA ASP 29 HA ASP 29 -5.112 0.418 -12.067 232 HB2 ASP 29 2HB ASP 29 -6.861 -1.385 -12.619 233 HB3 ASP 29 1HB ASP 29 -7.221 -1.433 -10.897 234 H ASP 30 H ASP 30 -6.302 1.927 -10.559 235 HA ASP 30 HA ASP 30 -4.901 1.924 -8.044 236 HB2 ASP 30 2HB ASP 30 -5.689 4.126 -7.678 237 HB3 ASP 30 1HB ASP 30 -5.407 4.023 -9.407 238 H GLN 31 H GLN 31 -8.134 1.144 -9.099 239 HA GLN 31 HA GLN 31 -9.080 0.774 -6.342 240 HB2 GLN 31 2HB GLN 31 -10.515 0.506 -9.009 241 HB3 GLN 31 1HB GLN 31 -11.277 0.322 -7.434 242 HG2 GLN 31 2HG GLN 31 -10.757 2.677 -6.907 243 HG3 GLN 31 1HG GLN 31 -10.005 2.870 -8.493 244 HE21 GLN 31 1HE2 GLN 31 -11.355 2.889 -10.361 245 HE22 GLN 31 2HE2 GLN 31 -13.051 3.196 -10.239 246 H THR 32 H THR 32 -7.339 -1.123 -8.524 247 HA THR 32 HA THR 32 -8.611 -3.623 -8.346 248 HB THR 32 HB THR 32 -5.677 -2.998 -8.694 249 HG1 THR 32 HG1 THR 32 -6.347 -4.098 -10.790 250 HG21 THR 32 3HG2 THR 32 -5.727 -5.181 -7.601 251 HG22 THR 32 1HG2 THR 32 -5.401 -5.420 -9.317 252 HG23 THR 32 2HG2 THR 32 -7.016 -5.738 -8.674 253 HA PRO 33 HA PRO 33 -7.882 -4.325 -3.904 254 HB2 PRO 33 2HB PRO 33 -9.385 -6.607 -3.731 255 HB3 PRO 33 1HB PRO 33 -10.103 -4.982 -3.788 256 HG2 PRO 33 2HG PRO 33 -9.850 -7.009 -5.962 257 HG3 PRO 33 1HG PRO 33 -11.190 -5.904 -5.601 258 HD2 PRO 33 2HD PRO 33 -9.328 -5.465 -7.571 259 HD3 PRO 33 1HD PRO 33 -10.245 -4.169 -6.773 260 H LEU 34 H LEU 34 -5.855 -4.893 -3.649 261 HA LEU 34 HA LEU 34 -4.308 -6.738 -5.018 262 HB2 LEU 34 2HB LEU 34 -3.906 -5.615 -2.233 263 HB3 LEU 34 1HB LEU 34 -2.656 -6.329 -3.241 264 HG LEU 34 HG LEU 34 -4.191 -3.835 -4.050 265 HD11 LEU 34 1HD1 LEU 34 -2.999 -3.359 -1.974 266 HD12 LEU 34 2HD1 LEU 34 -2.254 -2.528 -3.337 267 HD13 LEU 34 3HD1 LEU 34 -1.497 -3.981 -2.673 268 HD21 LEU 34 3HD2 LEU 34 -1.594 -5.023 -5.104 269 HD22 LEU 34 1HD2 LEU 34 -2.320 -3.503 -5.632 270 HD23 LEU 34 2HD2 LEU 34 -3.150 -5.026 -5.937 271 H LEU 35 H LEU 35 -5.843 -7.094 -1.779 272 HA LEU 35 HA LEU 35 -4.866 -9.702 -1.234 273 HB2 LEU 35 2HB LEU 35 -7.313 -8.249 -0.190 274 HB3 LEU 35 1HB LEU 35 -6.926 -9.885 0.315 275 HG LEU 35 HG LEU 35 -6.172 -8.384 2.017 276 HD11 LEU 35 1HD1 LEU 35 -3.791 -8.928 2.214 277 HD12 LEU 35 2HD1 LEU 35 -3.717 -9.371 0.507 278 HD13 LEU 35 3HD1 LEU 35 -4.700 -10.320 1.627 279 HD21 LEU 35 3HD2 LEU 35 -6.022 -6.321 0.723 280 HD22 LEU 35 1HD2 LEU 35 -4.556 -6.900 -0.072 281 HD23 LEU 35 2HD2 LEU 35 -4.559 -6.587 1.665 282 H GLU 36 H GLU 36 -7.762 -8.574 -2.883 283 HA GLU 36 HA GLU 36 -9.015 -11.149 -3.082 284 HB2 GLU 36 2HB GLU 36 -9.589 -8.650 -4.698 285 HB3 GLU 36 1HB GLU 36 -10.656 -10.034 -4.489 286 HG2 GLU 36 2HG GLU 36 -9.809 -8.059 -2.363 287 HG3 GLU 36 1HG GLU 36 -11.395 -8.187 -3.103 288 H TRP 37 H TRP 37 -6.676 -9.401 -4.986 289 HA TRP 37 HA TRP 37 -6.948 -11.312 -7.252 290 HB2 TRP 37 2HB TRP 37 -5.413 -8.714 -6.912 291 HB3 TRP 37 1HB TRP 37 -5.136 -9.793 -8.276 292 HD1 TRP 37 HD1 TRP 37 -8.476 -8.454 -6.718 293 HE1 TRP 37 HE1 TRP 37 -9.903 -7.502 -8.618 294 HE3 TRP 37 HE3 TRP 37 -5.248 -9.244 -10.609 295 HZ2 TRP 37 HZ2 TRP 37 -9.691 -7.121 -11.416 296 HZ3 TRP 37 HZ3 TRP 37 -5.941 -8.557 -12.871 297 HH2 TRP 37 HH2 TRP 37 -8.116 -7.520 -13.266 298 H GLY 38 H GLY 38 -5.366 -11.172 -4.325 299 HA2 GLY 38 2HA GLY 38 -3.824 -12.597 -3.387 300 HA3 GLY 38 1HA GLY 38 -3.770 -13.478 -4.908 301 H ILE 39 H ILE 39 -3.143 -10.092 -4.877 302 HA ILE 39 HA ILE 39 -0.511 -10.342 -5.978 303 HB ILE 39 HB ILE 39 -2.144 -7.919 -5.085 304 HG12 ILE 39 2HG1 ILE 39 -1.582 -9.008 -7.883 305 HG13 ILE 39 1HG1 ILE 39 -3.103 -9.185 -7.021 306 HG21 ILE 39 1HG2 ILE 39 0.459 -7.898 -6.647 307 HG22 ILE 39 2HG2 ILE 39 0.243 -7.346 -4.985 308 HG23 ILE 39 3HG2 ILE 39 -0.552 -6.492 -6.307 309 HD11 ILE 39 3HD1 ILE 39 -3.257 -7.474 -8.715 310 HD12 ILE 39 1HD1 ILE 39 -1.895 -6.605 -8.014 311 HD13 ILE 39 2HD1 ILE 39 -3.410 -6.740 -7.118 312 H LEU 40 H LEU 40 -1.911 -9.757 -2.835 313 HA LEU 40 HA LEU 40 0.730 -9.247 -1.635 314 HB2 LEU 40 2HB LEU 40 -2.033 -8.820 -0.452 315 HB3 LEU 40 1HB LEU 40 -0.508 -8.439 0.339 316 HG LEU 40 HG LEU 40 -1.663 -7.090 -2.121 317 HD11 LEU 40 1HD1 LEU 40 -1.174 -6.073 0.687 318 HD12 LEU 40 2HD1 LEU 40 -2.734 -6.368 -0.097 319 HD13 LEU 40 3HD1 LEU 40 -1.686 -5.082 -0.684 320 HD21 LEU 40 3HD2 LEU 40 0.289 -5.584 -2.066 321 HD22 LEU 40 1HD2 LEU 40 0.746 -7.249 -2.427 322 HD23 LEU 40 2HD2 LEU 40 1.024 -6.585 -0.813 323 H ASN 41 H ASN 41 1.656 -10.677 -0.463 324 HA ASN 41 HA ASN 41 0.133 -12.552 1.241 325 HB2 ASN 41 2HB ASN 41 2.944 -12.952 0.073 326 HB3 ASN 41 1HB ASN 41 2.132 -14.042 1.191 327 HD21 ASN 41 1HD2 ASN 41 2.181 -12.821 -2.085 328 HD22 ASN 41 2HD2 ASN 41 1.242 -14.095 -2.778 329 H SER 42 H SER 42 1.429 -12.895 3.390 330 HA SER 42 HA SER 42 1.803 -10.324 4.518 331 HB2 SER 42 3HB SER 42 2.301 -11.462 6.573 332 HB3 SER 42 2HB SER 42 1.040 -12.374 5.731 333 H MET 43 H MET 43 4.080 -12.691 3.324 334 HA MET 43 HA MET 43 6.480 -11.657 4.299 335 HB2 MET 43 2HB MET 43 7.525 -12.968 2.440 336 HB3 MET 43 1HB MET 43 6.397 -13.877 3.427 337 HG2 MET 43 2HG MET 43 4.858 -12.850 1.281 338 HG3 MET 43 1HG MET 43 6.364 -13.430 0.573 339 HE1 MET 43 3HE MET 43 3.410 -16.084 2.983 340 HE2 MET 43 1HE MET 43 3.205 -14.354 2.715 341 HE3 MET 43 2HE MET 43 4.453 -14.933 3.823 342 H ASN 44 H ASN 44 4.710 -10.789 1.269 343 HA ASN 44 HA ASN 44 6.693 -8.635 0.832 344 HB2 ASN 44 2HB ASN 44 5.717 -8.292 -1.401 345 HB3 ASN 44 1HB ASN 44 6.322 -9.924 -1.178 346 HD21 ASN 44 1HD2 ASN 44 4.244 -8.674 -2.999 347 HD22 ASN 44 2HD2 ASN 44 2.865 -9.700 -2.819 348 H ILE 45 H ILE 45 3.922 -8.990 2.499 349 HA ILE 45 HA ILE 45 2.744 -6.386 2.028 350 HB ILE 45 HB ILE 45 1.895 -8.732 3.385 351 HG12 ILE 45 2HG1 ILE 45 0.493 -6.024 3.385 352 HG13 ILE 45 1HG1 ILE 45 0.462 -7.170 2.052 353 HG21 ILE 45 1HG2 ILE 45 2.973 -7.978 5.482 354 HG22 ILE 45 2HG2 ILE 45 1.218 -8.089 5.631 355 HG23 ILE 45 3HG2 ILE 45 1.986 -6.512 5.444 356 HD11 ILE 45 3HD1 ILE 45 -0.671 -8.806 3.517 357 HD12 ILE 45 1HD1 ILE 45 -1.587 -7.308 3.307 358 HD13 ILE 45 2HD1 ILE 45 -0.696 -7.591 4.803 359 H VAL 46 H VAL 46 5.277 -7.728 4.000 360 HA VAL 46 HA VAL 46 5.568 -5.661 5.922 361 HB VAL 46 HB VAL 46 7.727 -7.544 4.881 362 HG11 VAL 46 1HG1 VAL 46 8.642 -5.689 6.203 363 HG12 VAL 46 2HG1 VAL 46 8.765 -7.195 7.111 364 HG13 VAL 46 3HG1 VAL 46 7.497 -6.031 7.504 365 HG21 VAL 46 3HG2 VAL 46 5.791 -7.976 7.195 366 HG22 VAL 46 1HG2 VAL 46 7.132 -9.039 6.765 367 HG23 VAL 46 2HG2 VAL 46 5.774 -8.838 5.661 368 H LYS 47 H LYS 47 6.488 -5.975 2.612 369 HA LYS 47 HA LYS 47 8.518 -4.044 2.359 370 HB2 LYS 47 2HB LYS 47 6.510 -5.207 0.421 371 HB3 LYS 47 1HB LYS 47 7.516 -3.857 -0.085 372 HG2 LYS 47 2HG LYS 47 8.443 -6.017 -0.799 373 HG3 LYS 47 1HG LYS 47 9.537 -5.155 0.287 374 HD2 LYS 47 2HD LYS 47 8.825 -6.592 2.160 375 HD3 LYS 47 1HD LYS 47 7.686 -7.417 1.091 376 HE2 LYS 47 2HE LYS 47 9.770 -8.715 1.456 377 HE3 LYS 47 1HE LYS 47 9.525 -8.304 -0.239 378 HZ1 LYS 47 3HZ LYS 47 11.339 -6.885 1.639 379 HZ2 LYS 47 1HZ LYS 47 11.113 -6.510 0.004 380 HZ3 LYS 47 2HZ LYS 47 11.803 -7.984 0.439 381 H LEU 48 H LEU 48 4.979 -3.746 2.313 382 HA LEU 48 HA LEU 48 4.914 -0.945 1.729 383 HB2 LEU 48 2HB LEU 48 2.810 -2.692 3.065 384 HB3 LEU 48 1HB LEU 48 2.562 -1.010 2.637 385 HG LEU 48 HG LEU 48 1.482 -2.309 0.962 386 HD11 LEU 48 1HD1 LEU 48 2.655 -0.340 0.068 387 HD12 LEU 48 2HD1 LEU 48 2.614 -1.636 -1.122 388 HD13 LEU 48 3HD1 LEU 48 4.101 -1.312 -0.230 389 HD21 LEU 48 3HD2 LEU 48 4.046 -3.872 0.537 390 HD22 LEU 48 1HD2 LEU 48 2.553 -4.048 -0.388 391 HD23 LEU 48 2HD2 LEU 48 2.584 -4.473 1.322 392 H MET 49 H MET 49 5.044 -2.809 4.753 393 HA MET 49 HA MET 49 4.408 -0.820 6.633 394 HB2 MET 49 2HB MET 49 6.481 -3.022 7.046 395 HB3 MET 49 1HB MET 49 5.623 -2.150 8.306 396 HG2 MET 49 2HG MET 49 3.530 -3.230 7.661 397 HG3 MET 49 1HG MET 49 4.361 -4.064 6.337 398 HE1 MET 49 3HE MET 49 4.013 -7.164 8.678 399 HE2 MET 49 1HE MET 49 4.023 -6.613 7.002 400 HE3 MET 49 2HE MET 49 2.824 -5.987 8.126 401 H VAL 50 H VAL 50 7.599 -1.857 5.460 402 HA VAL 50 HA VAL 50 9.084 0.190 6.804 403 HB VAL 50 HB VAL 50 10.153 -1.946 6.307 404 HG11 VAL 50 1HG1 VAL 50 8.989 -2.552 4.234 405 HG12 VAL 50 2HG1 VAL 50 10.736 -2.656 4.014 406 HG13 VAL 50 3HG1 VAL 50 9.847 -1.278 3.356 407 HG21 VAL 50 3HG2 VAL 50 11.666 -0.002 6.441 408 HG22 VAL 50 1HG2 VAL 50 11.500 0.258 4.703 409 HG23 VAL 50 2HG2 VAL 50 12.286 -1.202 5.307 410 H TYR 51 H TYR 51 7.651 -0.076 3.601 411 HA TYR 51 HA TYR 51 9.084 1.953 2.235 412 HB2 TYR 51 2HB TYR 51 7.520 0.233 1.152 413 HB3 TYR 51 1HB TYR 51 6.179 1.207 1.715 414 HD1 TYR 51 HD1 TYR 51 9.346 1.553 -0.293 415 HD2 TYR 51 HD2 TYR 51 5.329 2.906 0.276 416 HE1 TYR 51 HE1 TYR 51 9.531 2.956 -2.301 417 HE2 TYR 51 HE2 TYR 51 5.522 4.293 -1.734 418 HH TYR 51 HH TYR 51 7.377 5.410 -3.040 419 H ILE 52 H ILE 52 5.881 2.005 3.677 420 HA ILE 52 HA ILE 52 5.249 4.728 3.249 421 HB ILE 52 HB ILE 52 4.141 2.655 5.195 422 HG12 ILE 52 2HG1 ILE 52 2.971 3.580 2.536 423 HG13 ILE 52 1HG1 ILE 52 4.086 2.224 2.643 424 HG21 ILE 52 1HG2 ILE 52 2.921 5.307 4.404 425 HG22 ILE 52 2HG2 ILE 52 3.521 4.867 6.000 426 HG23 ILE 52 3HG2 ILE 52 2.106 4.048 5.339 427 HD11 ILE 52 3HD1 ILE 52 1.396 2.391 3.977 428 HD12 ILE 52 1HD1 ILE 52 2.517 1.025 4.039 429 HD13 ILE 52 2HD1 ILE 52 1.792 1.504 2.504 430 H ARG 53 H ARG 53 6.754 3.040 5.934 431 HA ARG 53 HA ARG 53 6.978 5.139 7.792 432 HB2 ARG 53 2HB ARG 53 7.370 2.800 8.403 433 HB3 ARG 53 1HB ARG 53 8.748 2.711 7.315 434 HG2 ARG 53 2HG ARG 53 9.391 2.875 9.713 435 HG3 ARG 53 1HG ARG 53 10.045 4.185 8.726 436 HD2 ARG 53 2HD ARG 53 8.375 5.727 9.566 437 HD3 ARG 53 1HD ARG 53 7.526 4.429 10.406 438 HE ARG 53 HE ARG 53 10.267 4.805 11.247 439 HH11 ARG 53 1HH1 ARG 53 6.957 5.829 11.778 440 HH12 ARG 53 2HH1 ARG 53 7.258 6.394 13.387 441 HH21 ARG 53 1HH2 ARG 53 10.669 5.559 13.322 442 HH22 ARG 53 2HH2 ARG 53 9.384 6.241 14.277 443 H ASP 54 H ASP 54 9.003 4.244 5.041 444 HA ASP 54 HA ASP 54 11.053 6.261 5.618 445 HB2 ASP 54 2HB ASP 54 11.544 3.876 4.776 446 HB3 ASP 54 1HB ASP 54 10.879 4.373 3.227 447 H GLU 55 H GLU 55 8.197 5.965 3.748 448 HA GLU 55 HA GLU 55 8.963 7.873 1.647 449 HB2 GLU 55 2HB GLU 55 7.817 5.783 1.015 450 HB3 GLU 55 1HB GLU 55 6.483 6.163 2.091 451 HG2 GLU 55 2HG GLU 55 5.835 6.533 -0.195 452 HG3 GLU 55 1HG GLU 55 5.861 8.067 0.665 453 H MET 56 H MET 56 6.239 7.448 3.914 454 HA MET 56 HA MET 56 5.625 10.348 3.764 455 HB2 MET 56 2HB MET 56 3.882 7.902 4.269 456 HB3 MET 56 1HB MET 56 3.309 9.536 4.577 457 HG2 MET 56 2HG MET 56 3.359 10.113 2.297 458 HG3 MET 56 1HG MET 56 4.387 8.745 1.874 459 HE1 MET 56 3HE MET 56 2.044 5.736 1.739 460 HE2 MET 56 1HE MET 56 3.301 6.170 2.901 461 HE3 MET 56 2HE MET 56 3.555 6.442 1.174 462 H GLY 57 H GLY 57 7.386 8.486 5.641 463 HA2 GLY 57 2HA GLY 57 8.216 8.701 7.756 464 HA3 GLY 57 1HA GLY 57 7.414 10.262 7.827 465 H VAL 58 H VAL 58 5.639 7.264 7.372 466 HA VAL 58 HA VAL 58 4.701 7.316 10.168 467 HB VAL 58 HB VAL 58 3.008 8.623 8.990 468 HG11 VAL 58 1HG1 VAL 58 1.731 7.783 7.049 469 HG12 VAL 58 2HG1 VAL 58 2.771 6.355 6.993 470 HG13 VAL 58 3HG1 VAL 58 3.450 7.953 6.674 471 HG21 VAL 58 3HG2 VAL 58 2.158 7.052 10.678 472 HG22 VAL 58 1HG2 VAL 58 1.953 5.818 9.432 473 HG23 VAL 58 2HG2 VAL 58 0.983 7.292 9.383 474 H SER 59 H SER 59 4.885 5.326 10.999 475 HA SER 59 HA SER 59 5.449 3.024 9.349 476 HB2 SER 59 2HB SER 59 6.584 3.457 11.553 477 HB3 SER 59 1HB SER 59 5.043 3.187 12.371 478 HG SER 59 HG SER 59 5.954 1.227 12.399 479 H ILE 60 H ILE 60 4.064 1.301 8.965 480 HA ILE 60 HA ILE 60 1.338 1.319 10.024 481 HB ILE 60 HB ILE 60 2.681 -0.829 8.314 482 HG12 ILE 60 2HG1 ILE 60 2.391 1.461 7.153 483 HG13 ILE 60 1HG1 ILE 60 1.635 0.084 6.357 484 HG21 ILE 60 1HG2 ILE 60 -0.243 -0.395 9.059 485 HG22 ILE 60 2HG2 ILE 60 0.810 -1.688 9.634 486 HG23 ILE 60 3HG2 ILE 60 0.358 -1.618 7.934 487 HD11 ILE 60 3HD1 ILE 60 0.212 2.111 8.088 488 HD12 ILE 60 1HD1 ILE 60 -0.547 0.734 7.283 489 HD13 ILE 60 2HD1 ILE 60 0.178 2.032 6.330 490 HA PRO 61 HA PRO 61 3.161 -1.027 13.523 491 HB2 PRO 61 2HB PRO 61 0.955 -0.885 15.148 492 HB3 PRO 61 1HB PRO 61 2.071 0.477 14.933 493 HG2 PRO 61 2HG PRO 61 -0.582 0.007 13.628 494 HG3 PRO 61 1HG PRO 61 0.076 1.499 14.336 495 HD2 PRO 61 2HD PRO 61 0.099 1.009 11.661 496 HD3 PRO 61 1HD PRO 61 1.351 1.978 12.459 497 H SER 62 H SER 62 2.529 -3.076 14.665 498 HA SER 62 HA SER 62 1.705 -5.013 12.741 499 HB2 SER 62 2HB SER 62 2.225 -5.407 15.708 500 HB3 SER 62 1HB SER 62 2.136 -6.682 14.484 501 HG SER 62 HG SER 62 3.958 -5.896 13.527 502 H THR 63 H THR 63 -0.010 -3.301 15.215 503 HA THR 63 HA THR 63 -2.320 -5.001 15.358 504 HB THR 63 HB THR 63 -1.712 -3.441 17.186 505 HG1 THR 63 HG1 THR 63 -3.992 -4.071 16.731 506 HG21 THR 63 3HG2 THR 63 -2.127 -1.027 16.991 507 HG22 THR 63 1HG2 THR 63 -2.533 -1.221 15.285 508 HG23 THR 63 2HG2 THR 63 -0.890 -1.541 15.841 509 H HIS 64 H HIS 64 -1.173 -2.904 12.968 510 HA HIS 64 HA HIS 64 -3.833 -2.527 11.720 511 HB2 HIS 64 2HB HIS 64 -1.365 -0.771 11.720 512 HB3 HIS 64 1HB HIS 64 -2.623 -0.605 10.491 513 HD1 HIS 64 HD1 HIS 64 -4.351 -1.497 13.528 514 HD2 HIS 64 HD2 HIS 64 -2.733 2.006 11.968 515 HE1 HIS 64 HE1 HIS 64 -5.502 0.363 14.748 516 HE2 HIS 64 HE2 HIS 64 -4.566 2.475 13.733 517 H ILE 65 H ILE 65 -1.588 -4.724 11.572 518 HA ILE 65 HA ILE 65 -1.277 -4.800 8.666 519 HB ILE 65 HB ILE 65 -0.499 -6.968 10.657 520 HG12 ILE 65 2HG1 ILE 65 0.712 -4.934 11.238 521 HG13 ILE 65 1HG1 ILE 65 1.824 -6.043 10.439 522 HG21 ILE 65 1HG2 ILE 65 0.981 -7.762 8.847 523 HG22 ILE 65 2HG2 ILE 65 0.406 -6.469 7.790 524 HG23 ILE 65 3HG2 ILE 65 -0.700 -7.737 8.316 525 HD11 ILE 65 3HD1 ILE 65 1.568 -4.773 8.352 526 HD12 ILE 65 1HD1 ILE 65 2.156 -3.773 9.681 527 HD13 ILE 65 2HD1 ILE 65 0.470 -3.663 9.176 528 H THR 66 H THR 66 -3.294 -4.929 7.917 529 HA THR 66 HA THR 66 -4.672 -7.457 8.129 530 HB THR 66 HB THR 66 -5.791 -6.319 9.942 531 HG1 THR 66 HG1 THR 66 -7.535 -7.125 9.062 532 HG21 THR 66 3HG2 THR 66 -6.253 -3.945 8.088 533 HG22 THR 66 1HG2 THR 66 -5.114 -3.980 9.439 534 HG23 THR 66 2HG2 THR 66 -6.850 -4.097 9.741 535 H GLY 67 H GLY 67 -6.004 -7.860 6.344 536 HA2 GLY 67 2HA GLY 67 -5.359 -6.624 3.884 537 HA3 GLY 67 1HA GLY 67 -6.677 -7.748 4.173 538 H LYS 68 H LYS 68 -7.758 -5.850 6.294 539 HA LYS 68 HA LYS 68 -9.647 -4.414 4.785 540 HB2 LYS 68 2HB LYS 68 -10.099 -4.985 7.096 541 HB3 LYS 68 1HB LYS 68 -8.698 -4.073 7.651 542 HG2 LYS 68 2HG LYS 68 -9.775 -1.962 6.952 543 HG3 LYS 68 1HG LYS 68 -11.186 -2.861 6.384 544 HD2 LYS 68 2HD LYS 68 -11.677 -3.593 8.668 545 HD3 LYS 68 1HD LYS 68 -10.204 -2.824 9.266 546 HE2 LYS 68 2HE LYS 68 -11.088 -0.610 8.739 547 HE3 LYS 68 1HE LYS 68 -12.509 -1.320 7.967 548 HZ1 LYS 68 3HZ LYS 68 -13.084 -2.273 10.174 549 HZ2 LYS 68 1HZ LYS 68 -13.104 -0.581 10.142 550 HZ3 LYS 68 2HZ LYS 68 -11.808 -1.401 10.850 551 H TYR 69 H TYR 69 -6.513 -3.419 6.111 552 HA TYR 69 HA TYR 69 -6.843 -0.637 5.248 553 HB2 TYR 69 2HB TYR 69 -4.640 -2.085 6.751 554 HB3 TYR 69 1HB TYR 69 -4.495 -0.403 6.238 555 HD1 TYR 69 HD2 TYR 69 -7.927 -0.894 7.095 556 HD2 TYR 69 HD1 TYR 69 -4.069 -0.415 8.902 557 HE1 TYR 69 HE2 TYR 69 -8.987 -0.142 9.162 558 HE2 TYR 69 HE1 TYR 69 -5.162 0.336 10.958 559 HH TYR 69 HH TYR 69 -8.379 -0.055 11.628 560 H PHE 70 H PHE 70 -5.188 -3.534 4.311 561 HA PHE 70 HA PHE 70 -3.559 -2.166 2.299 562 HB2 PHE 70 2HB PHE 70 -3.540 -5.004 3.384 563 HB3 PHE 70 1HB PHE 70 -2.546 -4.503 2.023 564 HD1 PHE 70 HD2 PHE 70 -3.157 -3.833 5.657 565 HD2 PHE 70 HD1 PHE 70 -0.449 -3.403 2.379 566 HE1 PHE 70 HE2 PHE 70 -1.410 -3.088 7.194 567 HE2 PHE 70 HE1 PHE 70 1.291 -2.654 3.938 568 HZ PHE 70 HZ PHE 70 0.823 -2.488 6.333 569 H LYS 71 H LYS 71 -6.638 -2.816 2.148 570 HA LYS 71 HA LYS 71 -7.287 -4.828 0.384 571 HB2 LYS 71 2HB LYS 71 -8.490 -2.058 0.534 572 HB3 LYS 71 1HB LYS 71 -9.170 -3.321 -0.481 573 HG2 LYS 71 2HG LYS 71 -9.863 -4.605 1.366 574 HG3 LYS 71 1HG LYS 71 -8.805 -3.732 2.484 575 HD2 LYS 71 2HD LYS 71 -11.158 -3.091 2.784 576 HD3 LYS 71 1HD LYS 71 -10.178 -1.722 2.268 577 HE2 LYS 71 2HE LYS 71 -11.017 -2.140 -0.088 578 HE3 LYS 71 1HE LYS 71 -12.131 -3.331 0.588 579 HZ1 LYS 71 3HZ LYS 71 -13.101 -1.575 1.952 580 HZ2 LYS 71 1HZ LYS 71 -13.187 -1.187 0.306 581 HZ3 LYS 71 2HZ LYS 71 -12.026 -0.446 1.282 582 H ASP 72 H ASP 72 -6.332 -1.529 -0.468 583 HA ASP 72 HA ASP 72 -5.140 -2.213 -2.964 584 HB2 ASP 72 2HB ASP 72 -6.733 -1.229 -4.498 585 HB3 ASP 72 1HB ASP 72 -7.584 -2.432 -3.545 586 H LEU 73 H LEU 73 -5.322 0.212 -4.279 587 HA LEU 73 HA LEU 73 -3.481 1.829 -2.861 588 HB2 LEU 73 2HB LEU 73 -3.413 1.779 -5.247 589 HB3 LEU 73 1HB LEU 73 -5.094 2.217 -5.385 590 HG LEU 73 HG LEU 73 -3.115 4.229 -4.283 591 HD11 LEU 73 1HD1 LEU 73 -3.674 3.690 -7.217 592 HD12 LEU 73 2HD1 LEU 73 -2.138 3.437 -6.385 593 HD13 LEU 73 3HD1 LEU 73 -2.774 5.069 -6.582 594 HD21 LEU 73 3HD2 LEU 73 -5.497 4.821 -4.114 595 HD22 LEU 73 1HD2 LEU 73 -5.710 4.531 -5.841 596 HD23 LEU 73 2HD2 LEU 73 -4.691 5.862 -5.283 597 H ASN 74 H ASN 74 -6.958 2.131 -3.518 598 HA ASN 74 HA ASN 74 -7.245 4.740 -2.390 599 HB2 ASN 74 2HB ASN 74 -9.336 2.588 -2.905 600 HB3 ASN 74 1HB ASN 74 -9.716 4.232 -2.401 601 HD21 ASN 74 1HD2 ASN 74 -8.561 2.228 -5.020 602 HD22 ASN 74 2HD2 ASN 74 -8.723 3.433 -6.263 603 H ALA 75 H ALA 75 -7.634 1.457 -1.077 604 HA ALA 75 HA ALA 75 -8.567 2.179 1.494 605 HB1 ALA 75 3HB ALA 75 -7.819 -0.058 2.194 606 HB2 ALA 75 1HB ALA 75 -6.899 -0.219 0.696 607 HB3 ALA 75 2HB ALA 75 -8.660 -0.116 0.640 608 H ILE 76 H ILE 76 -5.252 1.564 0.353 609 HA ILE 76 HA ILE 76 -3.916 2.069 2.806 610 HB ILE 76 HB ILE 76 -2.898 2.000 -0.061 611 HG12 ILE 76 2HG1 ILE 76 -2.605 0.067 2.272 612 HG13 ILE 76 1HG1 ILE 76 -3.622 -0.186 0.859 613 HG21 ILE 76 1HG2 ILE 76 -1.184 2.265 2.439 614 HG22 ILE 76 2HG2 ILE 76 -1.410 3.515 1.216 615 HG23 ILE 76 3HG2 ILE 76 -0.579 2.016 0.798 616 HD11 ILE 76 3HD1 ILE 76 -1.648 -1.537 0.716 617 HD12 ILE 76 1HD1 ILE 76 -0.609 -0.134 0.952 618 HD13 ILE 76 2HD1 ILE 76 -1.563 -0.288 -0.529 619 H SER 77 H SER 77 -4.851 4.223 0.139 620 HA SER 77 HA SER 77 -3.260 6.433 1.036 621 HB2 SER 77 2HB SER 77 -4.618 7.779 -0.553 622 HB3 SER 77 1HB SER 77 -4.014 6.303 -1.296 623 HG SER 77 HG SER 77 -6.013 5.422 -1.178 624 H ARG 78 H ARG 78 -6.705 5.593 1.393 625 HA ARG 78 HA ARG 78 -7.464 7.793 2.996 626 HB2 ARG 78 2HB ARG 78 -8.624 4.992 2.842 627 HB3 ARG 78 1HB ARG 78 -9.376 6.308 3.738 628 HG2 ARG 78 2HG ARG 78 -8.886 6.271 0.747 629 HG3 ARG 78 1HG ARG 78 -10.430 5.975 1.546 630 HD2 ARG 78 2HD ARG 78 -8.862 8.578 1.554 631 HD3 ARG 78 1HD ARG 78 -10.359 8.248 0.679 632 HE ARG 78 HE ARG 78 -11.329 7.864 3.017 633 HH11 ARG 78 1HH1 ARG 78 -8.825 10.201 2.333 634 HH12 ARG 78 2HH1 ARG 78 -9.276 11.268 3.626 635 HH21 ARG 78 1HH2 ARG 78 -11.933 9.260 4.716 636 HH22 ARG 78 2HH2 ARG 78 -11.046 10.725 4.982 637 H THR 79 H THR 79 -6.011 4.704 3.818 638 HA THR 79 HA THR 79 -6.281 4.992 6.663 639 HB THR 79 HB THR 79 -4.567 3.069 5.039 640 HG1 THR 79 HG1 THR 79 -7.209 3.177 5.566 641 HG21 THR 79 3HG2 THR 79 -5.291 2.993 8.000 642 HG22 THR 79 1HG2 THR 79 -3.680 3.291 7.342 643 HG23 THR 79 2HG2 THR 79 -4.448 1.718 7.123 644 H VAL 80 H VAL 80 -3.668 5.606 4.304 645 HA VAL 80 HA VAL 80 -1.663 5.967 6.334 646 HB VAL 80 HB VAL 80 -1.151 5.224 3.964 647 HG11 VAL 80 1HG1 VAL 80 -1.464 8.159 3.240 648 HG12 VAL 80 2HG1 VAL 80 -2.499 6.836 2.694 649 HG13 VAL 80 3HG1 VAL 80 -0.804 6.890 2.204 650 HG21 VAL 80 3HG2 VAL 80 0.421 7.606 4.982 651 HG22 VAL 80 1HG2 VAL 80 1.002 6.383 3.853 652 HG23 VAL 80 2HG2 VAL 80 0.606 5.933 5.511 653 H GLU 81 H GLU 81 -3.859 8.093 4.558 654 HA GLU 81 HA GLU 81 -2.813 10.552 5.534 655 HB2 GLU 81 2HB GLU 81 -5.621 9.936 4.571 656 HB3 GLU 81 1HB GLU 81 -4.987 11.547 4.882 657 HG2 GLU 81 2HG GLU 81 -4.113 9.615 2.733 658 HG3 GLU 81 1HG GLU 81 -4.945 11.148 2.516 659 H GLN 82 H GLN 82 -5.308 8.317 6.756 660 HA GLN 82 HA GLN 82 -6.113 10.005 8.914 661 HB2 GLN 82 2HB GLN 82 -7.525 8.301 9.652 662 HB3 GLN 82 1HB GLN 82 -7.417 7.974 7.932 663 HG2 GLN 82 2HG GLN 82 -5.833 6.157 8.363 664 HG3 GLN 82 1HG GLN 82 -5.869 6.504 10.085 665 HE21 GLN 82 1HE2 GLN 82 -7.798 5.995 11.264 666 HE22 GLN 82 2HE2 GLN 82 -8.910 4.825 10.654 667 H LEU 83 H LEU 83 -3.605 7.551 8.536 668 HA LEU 83 HA LEU 83 -2.997 7.210 11.297 669 HB2 LEU 83 2HB LEU 83 -1.332 6.693 8.819 670 HB3 LEU 83 1HB LEU 83 -0.798 6.272 10.440 671 HG LEU 83 HG LEU 83 -3.262 5.124 9.077 672 HD11 LEU 83 1HD1 LEU 83 -1.950 3.056 8.924 673 HD12 LEU 83 2HD1 LEU 83 -0.540 3.889 9.589 674 HD13 LEU 83 3HD1 LEU 83 -1.191 4.366 8.019 675 HD21 LEU 83 3HD2 LEU 83 -3.320 3.557 10.972 676 HD22 LEU 83 1HD2 LEU 83 -3.517 5.218 11.526 677 HD23 LEU 83 2HD2 LEU 83 -1.965 4.395 11.729 678 H LYS 84 H LYS 84 -1.703 9.400 8.836 679 HA LYS 84 HA LYS 84 0.255 10.629 10.511 680 HB2 LYS 84 2HB LYS 84 -1.164 11.686 8.037 681 HB3 LYS 84 1HB LYS 84 0.202 12.489 8.812 682 HG2 LYS 84 2HG LYS 84 1.647 10.572 8.329 683 HG3 LYS 84 1HG LYS 84 0.290 9.704 7.607 684 HD2 LYS 84 2HD LYS 84 1.477 12.309 6.580 685 HD3 LYS 84 1HD LYS 84 1.759 10.710 5.895 686 HE2 LYS 84 2HE LYS 84 -0.612 10.520 5.296 687 HE3 LYS 84 1HE LYS 84 -0.948 12.079 6.046 688 HZ1 LYS 84 3HZ LYS 84 -0.740 12.162 3.613 689 HZ2 LYS 84 1HZ LYS 84 0.883 11.711 3.735 690 HZ3 LYS 84 2HZ LYS 84 0.364 13.171 4.402 691 H ALA 85 H ALA 85 -3.169 10.899 10.328 692 HA ALA 85 HA ALA 85 -3.344 13.379 11.858 693 HB1 ALA 85 3HB ALA 85 -5.756 13.073 11.659 694 HB2 ALA 85 1HB ALA 85 -5.524 11.451 10.998 695 HB3 ALA 85 2HB ALA 85 -4.995 12.868 10.079 696 H GLU 86 H GLU 86 -3.608 9.905 12.381 697 HA GLU 86 HA GLU 86 -4.698 9.996 15.029 698 HB2 GLU 86 2HB GLU 86 -3.160 7.755 13.645 699 HB3 GLU 86 1HB GLU 86 -4.094 7.580 15.123 700 HG2 GLU 86 2HG GLU 86 -5.273 8.332 12.438 701 HG3 GLU 86 1HG GLU 86 -5.205 6.699 13.056 702 H SER 87 H SER 87 -1.465 9.719 13.659 703 HA SER 87 HA SER 87 -0.157 9.357 16.239 704 HB2 SER 87 2HB SER 87 0.563 8.155 14.136 705 HB3 SER 87 1HB SER 87 1.099 9.701 13.482 706 HG SER 87 HG SER 87 2.202 9.495 15.858 707 H ALA 88 H ALA 88 -1.079 12.043 14.249 708 HA ALA 88 HA ALA 88 0.783 13.853 15.698 709 HB1 ALA 88 3HB ALA 88 0.396 15.486 13.913 710 HB2 ALA 88 1HB ALA 88 -0.735 14.385 13.118 711 HB3 ALA 88 2HB ALA 88 0.973 13.962 13.239 712 H LEU 89 H LEU 89 -0.456 16.189 15.488 713 HA LEU 89 HA LEU 89 -2.515 16.010 17.546 714 HB2 LEU 89 2HB LEU 89 -2.142 18.472 17.662 715 HB3 LEU 89 1HB LEU 89 -0.702 17.508 17.906 716 HG LEU 89 HG LEU 89 -0.411 18.012 15.239 717 HD11 LEU 89 1HD1 LEU 89 -0.994 20.346 14.737 718 HD12 LEU 89 2HD1 LEU 89 -1.880 20.458 16.259 719 HD13 LEU 89 3HD1 LEU 89 -2.425 19.351 14.996 720 HD21 LEU 89 3HD2 LEU 89 1.163 19.795 15.819 721 HD22 LEU 89 1HD2 LEU 89 1.295 18.444 16.944 722 HD23 LEU 89 2HD2 LEU 89 0.458 19.918 17.432 723 H GLU 90 H GLU 90 -2.848 15.682 14.350 724 HA GLU 90 HA GLU 90 -4.463 17.799 13.414 725 HB2 GLU 90 2HB GLU 90 -4.440 14.940 12.381 726 HB3 GLU 90 1HB GLU 90 -4.975 16.357 11.497 727 HG2 GLU 90 2HG GLU 90 -2.149 15.622 12.289 728 HG3 GLU 90 1HG GLU 90 -2.818 15.723 10.663 729 H281 4EM 101 2H28 PYA 142 2.639 -12.294 8.316 730 H283 4EM 101 3H28 PYA 142 3.131 -13.203 9.736 731 H303 4EM 101 3H30 PYA 142 0.227 -12.000 7.775 732 H301 4EM 101 1H30 PYA 142 -1.020 -12.850 8.720 733 H302 4EM 101 2H30 PYA 142 0.039 -13.739 7.626 734 H312 4EM 101 2H31 PYA 142 1.115 -11.007 9.825 735 H313 4EM 101 3H31 PYA 142 -0.114 -11.851 10.762 736 H311 4EM 101 1H31 PYA 142 1.591 -12.012 11.205 737 H32 4EM 101 H32 PYA 142 0.862 -15.281 9.609 738 H33 4EM 101 H33 PYA 142 1.362 -15.358 11.842 739 H36 4EM 101 H36 PYA 142 -1.235 -15.427 9.093 740 H373 4EM 101 3H37 PYA 142 -3.302 -15.586 10.921 741 H372 4EM 101 2H37 PYA 142 -3.439 -14.002 10.149 742 H382 4EM 101 2H38 PYA 142 -3.598 -16.750 8.893 743 H383 4EM 101 3H38 PYA 142 -3.201 -15.341 7.907 744 H41 4EM 101 H41 PYA 142 -4.456 -13.658 7.965 745 H423 4EM 101 3H42 PYA 142 -7.369 -13.905 8.071 746 H422 4EM 101 2H42 PYA 142 -6.429 -12.969 6.901 747 H433 4EM 101 3H43 PYA 142 -6.658 -12.445 9.884 748 H432 4EM 101 2H43 PYA 142 -7.283 -11.424 8.582 749 H44 4EM 101 H44 PYA 142 -4.786 -11.491 9.636 750 H49 4EM 101 H49 PYA 142 -2.929 -10.129 5.821 751 H51 4EM 101 H51 PYA 142 -0.668 -9.482 6.978 752 H50 4EM 101 H50 PYA 142 -1.002 -9.673 9.559 753 H48 4EM 101 H48 PYA 142 -3.425 -10.431 9.935 Start of MODEL 6 1 H1 MET 1 1H MET 1 3.304 15.810 3.348 2 H2 MET 1 2H MET 1 2.076 16.963 3.297 3 H3 MET 1 3H MET 1 3.642 17.418 3.738 4 HA MET 1 HA MET 1 3.070 18.080 1.482 5 HB2 MET 1 2HB MET 1 5.441 17.668 2.162 6 HB3 MET 1 1HB MET 1 5.286 15.994 1.652 7 HG2 MET 1 2HG MET 1 4.978 16.711 -0.672 8 HG3 MET 1 1HG MET 1 5.056 18.401 -0.178 9 HE1 MET 1 3HE MET 1 8.824 18.799 0.860 10 HE2 MET 1 1HE MET 1 7.459 18.493 1.934 11 HE3 MET 1 2HE MET 1 7.291 19.632 0.598 12 H ASP 2 H ASP 2 1.094 17.395 0.719 13 HA ASP 2 HA ASP 2 -0.454 16.326 -0.498 14 HB2 ASP 2 2HB ASP 2 2.060 15.241 -1.816 15 HB3 ASP 2 1HB ASP 2 0.476 14.728 -2.374 16 H GLY 3 H GLY 3 -0.786 13.767 -1.522 17 HA2 GLY 3 2HA GLY 3 -0.274 11.774 0.501 18 HA3 GLY 3 1HA GLY 3 -1.927 12.372 0.493 19 H GLU 4 H GLU 4 -2.808 12.501 -1.892 20 HA GLU 4 HA GLU 4 -3.041 9.780 -2.696 21 HB2 GLU 4 2HB GLU 4 -4.101 12.303 -4.012 22 HB3 GLU 4 1HB GLU 4 -4.544 10.664 -4.494 23 HG2 GLU 4 2HG GLU 4 -5.243 10.352 -1.997 24 HG3 GLU 4 1HG GLU 4 -5.204 12.111 -1.919 25 H GLU 5 H GLU 5 -0.741 12.118 -3.664 26 HA GLU 5 HA GLU 5 0.054 10.997 -6.151 27 HB2 GLU 5 2HB GLU 5 0.846 13.217 -5.502 28 HB3 GLU 5 1HB GLU 5 1.657 12.551 -4.087 29 HG2 GLU 5 2HG GLU 5 3.185 11.288 -5.578 30 HG3 GLU 5 1HG GLU 5 2.378 11.985 -6.976 31 H VAL 6 H VAL 6 0.820 10.144 -2.762 32 HA VAL 6 HA VAL 6 3.010 8.416 -3.404 33 HB VAL 6 HB VAL 6 3.039 7.604 -1.192 34 HG11 VAL 6 1HG1 VAL 6 3.742 9.914 -1.317 35 HG12 VAL 6 2HG1 VAL 6 2.944 9.623 0.228 36 HG13 VAL 6 3HG1 VAL 6 2.084 10.474 -1.060 37 HG21 VAL 6 3HG2 VAL 6 1.229 7.863 0.486 38 HG22 VAL 6 1HG2 VAL 6 0.723 6.874 -0.882 39 HG23 VAL 6 2HG2 VAL 6 0.184 8.542 -0.757 40 H LYS 7 H LYS 7 -0.403 8.068 -3.539 41 HA LYS 7 HA LYS 7 -0.734 5.307 -3.498 42 HB2 LYS 7 2HB LYS 7 -2.256 7.438 -5.032 43 HB3 LYS 7 1HB LYS 7 -2.778 5.765 -4.918 44 HG2 LYS 7 2HG LYS 7 -2.696 6.133 -2.339 45 HG3 LYS 7 1HG LYS 7 -2.654 7.852 -2.740 46 HD2 LYS 7 2HD LYS 7 -4.841 5.848 -3.369 47 HD3 LYS 7 1HD LYS 7 -4.945 7.274 -2.345 48 HE2 LYS 7 2HE LYS 7 -4.637 8.703 -4.366 49 HE3 LYS 7 1HE LYS 7 -4.647 7.247 -5.363 50 HZ1 LYS 7 3HZ LYS 7 -6.884 6.764 -4.572 51 HZ2 LYS 7 1HZ LYS 7 -6.817 8.279 -5.310 52 HZ3 LYS 7 2HZ LYS 7 -6.881 8.168 -3.628 53 H GLU 8 H GLU 8 -0.197 7.346 -6.455 54 HA GLU 8 HA GLU 8 -0.014 5.155 -8.262 55 HB2 GLU 8 2HB GLU 8 0.934 6.726 -9.881 56 HB3 GLU 8 1HB GLU 8 -0.410 7.479 -9.033 57 HG2 GLU 8 2HG GLU 8 1.206 8.702 -7.592 58 HG3 GLU 8 1HG GLU 8 2.539 7.978 -8.485 59 H LYS 9 H LYS 9 2.264 6.672 -6.146 60 HA LYS 9 HA LYS 9 4.676 5.547 -7.148 61 HB2 LYS 9 2HB LYS 9 3.976 6.764 -4.457 62 HB3 LYS 9 1HB LYS 9 5.614 6.331 -4.947 63 HG2 LYS 9 2HG LYS 9 5.635 7.986 -6.677 64 HG3 LYS 9 1HG LYS 9 3.900 8.268 -6.520 65 HD2 LYS 9 2HD LYS 9 5.338 10.071 -5.534 66 HD3 LYS 9 1HD LYS 9 4.181 9.366 -4.412 67 HE2 LYS 9 2HE LYS 9 5.937 8.068 -3.348 68 HE3 LYS 9 1HE LYS 9 7.126 8.619 -4.533 69 HZ1 LYS 9 3HZ LYS 9 6.828 10.879 -3.682 70 HZ2 LYS 9 1HZ LYS 9 7.315 9.820 -2.464 71 HZ3 LYS 9 2HZ LYS 9 5.708 10.315 -2.547 72 H ILE 10 H ILE 10 2.276 4.479 -4.776 73 HA ILE 10 HA ILE 10 3.813 2.209 -3.841 74 HB ILE 10 HB ILE 10 0.847 2.840 -3.500 75 HG12 ILE 10 2HG1 ILE 10 2.153 4.495 -2.314 76 HG13 ILE 10 1HG1 ILE 10 1.499 3.393 -1.121 77 HG21 ILE 10 1HG2 ILE 10 2.471 0.689 -2.099 78 HG22 ILE 10 2HG2 ILE 10 1.186 0.422 -3.276 79 HG23 ILE 10 3HG2 ILE 10 0.805 1.132 -1.708 80 HD11 ILE 10 3HD1 ILE 10 3.770 4.003 -0.589 81 HD12 ILE 10 1HD1 ILE 10 4.334 3.432 -2.156 82 HD13 ILE 10 2HD1 ILE 10 3.701 2.282 -0.970 83 H ARG 11 H ARG 11 1.308 2.811 -6.287 84 HA ARG 11 HA ARG 11 0.660 0.173 -7.056 85 HB2 ARG 11 2HB ARG 11 0.828 2.693 -8.774 86 HB3 ARG 11 1HB ARG 11 0.153 1.168 -9.346 87 HG2 ARG 11 2HG ARG 11 -1.643 1.296 -7.706 88 HG3 ARG 11 1HG ARG 11 -0.930 2.749 -7.003 89 HD2 ARG 11 2HD ARG 11 -2.791 3.399 -8.403 90 HD3 ARG 11 1HD ARG 11 -1.300 3.942 -9.167 91 HE ARG 11 HE ARG 11 -1.804 1.536 -10.377 92 HH11 ARG 11 1HH1 ARG 11 -3.723 4.468 -9.965 93 HH12 ARG 11 2HH1 ARG 11 -4.613 4.237 -11.435 94 HH21 ARG 11 1HH2 ARG 11 -2.986 1.247 -12.306 95 HH22 ARG 11 2HH2 ARG 11 -4.195 2.407 -12.766 96 H ARG 12 H ARG 12 3.225 2.340 -8.053 97 HA ARG 12 HA ARG 12 4.445 0.535 -9.892 98 HB2 ARG 12 2HB ARG 12 5.279 3.190 -8.715 99 HB3 ARG 12 1HB ARG 12 6.348 2.289 -9.782 100 HG2 ARG 12 2HG ARG 12 3.620 3.458 -10.431 101 HG3 ARG 12 1HG ARG 12 5.174 3.891 -11.149 102 HD2 ARG 12 2HD ARG 12 5.310 1.613 -12.162 103 HD3 ARG 12 1HD ARG 12 3.731 1.226 -11.463 104 HE ARG 12 HE ARG 12 3.221 3.422 -12.974 105 HH11 ARG 12 1HH1 ARG 12 4.740 0.327 -13.678 106 HH12 ARG 12 2HH1 ARG 12 4.206 0.315 -15.333 107 HH21 ARG 12 1HH2 ARG 12 2.466 3.348 -15.119 108 HH22 ARG 12 2HH2 ARG 12 2.917 2.022 -16.147 109 H TYR 13 H TYR 13 5.323 1.605 -6.589 110 HA TYR 13 HA TYR 13 7.671 0.146 -6.290 111 HB2 TYR 13 2HB TYR 13 7.080 1.721 -4.578 112 HB3 TYR 13 1HB TYR 13 5.560 0.907 -4.251 113 HD1 TYR 13 HD1 TYR 13 9.234 0.013 -4.300 114 HD2 TYR 13 HD2 TYR 13 5.519 -0.341 -2.215 115 HE1 TYR 13 HE1 TYR 13 10.347 -1.291 -2.551 116 HE2 TYR 13 HE2 TYR 13 6.641 -1.640 -0.455 117 HH TYR 13 HH TYR 13 8.782 -3.137 -0.374 118 H ILE 14 H ILE 14 4.342 -0.975 -5.839 119 HA ILE 14 HA ILE 14 4.909 -3.609 -4.987 120 HB ILE 14 HB ILE 14 2.448 -2.466 -6.377 121 HG12 ILE 14 2HG1 ILE 14 2.903 -3.195 -3.445 122 HG13 ILE 14 1HG1 ILE 14 2.960 -1.554 -4.078 123 HG21 ILE 14 1HG2 ILE 14 2.787 -5.195 -5.075 124 HG22 ILE 14 2HG2 ILE 14 2.533 -4.886 -6.794 125 HG23 ILE 14 3HG2 ILE 14 1.254 -4.520 -5.640 126 HD11 ILE 14 3HD1 ILE 14 0.862 -1.943 -2.994 127 HD12 ILE 14 1HD1 ILE 14 0.559 -3.373 -3.979 128 HD13 ILE 14 2HD1 ILE 14 0.583 -1.772 -4.727 129 H MET 15 H MET 15 4.026 -2.384 -8.291 130 HA MET 15 HA MET 15 4.309 -4.962 -9.511 131 HB2 MET 15 2HB MET 15 4.263 -2.196 -10.810 132 HB3 MET 15 1HB MET 15 4.095 -3.725 -11.674 133 HG2 MET 15 2HG MET 15 2.188 -2.461 -9.719 134 HG3 MET 15 1HG MET 15 1.897 -2.912 -11.395 135 HE1 MET 15 3HE MET 15 1.042 -6.636 -11.224 136 HE2 MET 15 1HE MET 15 2.258 -5.673 -12.072 137 HE3 MET 15 2HE MET 15 0.590 -5.096 -11.945 138 H GLU 16 H GLU 16 6.388 -2.075 -9.759 139 HA GLU 16 HA GLU 16 8.364 -3.150 -11.401 140 HB2 GLU 16 2HB GLU 16 8.797 -0.955 -9.349 141 HB3 GLU 16 1HB GLU 16 9.756 -1.245 -10.792 142 HG2 GLU 16 2HG GLU 16 6.996 -0.069 -10.551 143 HG3 GLU 16 1HG GLU 16 8.423 0.612 -11.316 144 H ASP 17 H ASP 17 8.120 -3.247 -7.852 145 HA ASP 17 HA ASP 17 10.781 -4.555 -7.673 146 HB2 ASP 17 2HB ASP 17 9.210 -3.174 -5.460 147 HB3 ASP 17 1HB ASP 17 10.808 -3.893 -5.295 148 H LEU 18 H LEU 18 7.610 -4.742 -5.936 149 HA LEU 18 HA LEU 18 8.196 -7.197 -4.650 150 HB2 LEU 18 2HB LEU 18 5.566 -5.764 -5.094 151 HB3 LEU 18 1HB LEU 18 5.622 -7.308 -4.275 152 HG LEU 18 HG LEU 18 5.500 -5.530 -2.621 153 HD11 LEU 18 1HD1 LEU 18 7.402 -6.035 -1.198 154 HD12 LEU 18 2HD1 LEU 18 8.302 -6.694 -2.564 155 HD13 LEU 18 3HD1 LEU 18 6.839 -7.498 -1.993 156 HD21 LEU 18 3HD2 LEU 18 7.222 -3.819 -2.312 157 HD22 LEU 18 1HD2 LEU 18 6.443 -3.656 -3.882 158 HD23 LEU 18 2HD2 LEU 18 8.055 -4.365 -3.769 159 H ILE 19 H ILE 19 6.312 -6.600 -7.632 160 HA ILE 19 HA ILE 19 6.131 -9.446 -8.236 161 HB ILE 19 HB ILE 19 5.461 -7.020 -9.981 162 HG12 ILE 19 2HG1 ILE 19 3.092 -7.847 -9.827 163 HG13 ILE 19 1HG1 ILE 19 3.621 -9.092 -8.721 164 HG21 ILE 19 1HG2 ILE 19 6.241 -8.830 -11.437 165 HG22 ILE 19 2HG2 ILE 19 4.496 -8.634 -11.618 166 HG23 ILE 19 3HG2 ILE 19 5.138 -9.966 -10.654 167 HD11 ILE 19 3HD1 ILE 19 2.513 -7.311 -7.575 168 HD12 ILE 19 1HD1 ILE 19 3.666 -6.143 -8.218 169 HD13 ILE 19 2HD1 ILE 19 4.207 -7.389 -7.089 170 H GLY 20 H GLY 20 7.938 -6.621 -9.447 171 HA2 GLY 20 2HA GLY 20 10.303 -6.701 -9.868 172 HA3 GLY 20 1HA GLY 20 10.148 -8.381 -10.366 173 HA PRO 21 HA PRO 21 10.402 -5.855 -14.291 174 HB2 PRO 21 2HB PRO 21 11.978 -7.632 -15.676 175 HB3 PRO 21 1HB PRO 21 12.644 -6.477 -14.507 176 HG2 PRO 21 2HG PRO 21 11.983 -9.376 -14.103 177 HG3 PRO 21 1HG PRO 21 13.453 -8.481 -13.647 178 HD2 PRO 21 2HD PRO 21 11.504 -9.001 -11.845 179 HD3 PRO 21 1HD PRO 21 12.445 -7.492 -11.789 180 H SER 22 H SER 22 8.775 -8.656 -13.450 181 HA SER 22 HA SER 22 7.618 -9.060 -16.152 182 HB2 SER 22 2HB SER 22 7.760 -11.001 -13.798 183 HB3 SER 22 1HB SER 22 7.055 -11.354 -15.377 184 HG SER 22 HG SER 22 9.036 -11.304 -16.295 185 H ALA 23 H ALA 23 6.802 -6.888 -14.691 186 HA ALA 23 HA ALA 23 4.440 -7.552 -13.095 187 HB1 ALA 23 3HB ALA 23 5.726 -4.888 -13.740 188 HB2 ALA 23 1HB ALA 23 6.007 -5.862 -12.296 189 HB3 ALA 23 2HB ALA 23 4.417 -5.158 -12.585 190 H LYS 24 H LYS 24 2.432 -7.577 -13.885 191 HA LYS 24 HA LYS 24 1.790 -6.419 -16.505 192 HB2 LYS 24 2HB LYS 24 0.133 -8.231 -14.705 193 HB3 LYS 24 1HB LYS 24 -0.312 -7.715 -16.332 194 HG2 LYS 24 2HG LYS 24 1.698 -8.890 -17.228 195 HG3 LYS 24 1HG LYS 24 2.067 -9.455 -15.596 196 HD2 LYS 24 2HD LYS 24 -0.121 -10.658 -15.549 197 HD3 LYS 24 1HD LYS 24 -0.431 -10.119 -17.200 198 HE2 LYS 24 2HE LYS 24 1.557 -11.375 -17.978 199 HE3 LYS 24 1HE LYS 24 1.858 -11.922 -16.330 200 HZ1 LYS 24 3HZ LYS 24 0.733 -13.617 -17.594 201 HZ2 LYS 24 1HZ LYS 24 -0.534 -12.561 -17.975 202 HZ3 LYS 24 2HZ LYS 24 -0.294 -13.051 -16.377 203 H GLU 25 H GLU 25 2.184 -4.333 -15.511 204 HA GLU 25 HA GLU 25 0.804 -3.060 -13.484 205 HB2 GLU 25 2HB GLU 25 1.393 -0.938 -14.656 206 HB3 GLU 25 1HB GLU 25 2.733 -2.064 -14.572 207 HG2 GLU 25 2HG GLU 25 2.369 -2.735 -16.905 208 HG3 GLU 25 1HG GLU 25 0.979 -1.658 -17.003 209 H ASP 26 H ASP 26 -0.306 -3.780 -16.699 210 HA ASP 26 HA ASP 26 -2.415 -2.010 -17.037 211 HB2 ASP 26 2HB ASP 26 -1.584 -3.360 -18.902 212 HB3 ASP 26 1HB ASP 26 -1.997 -4.851 -18.061 213 H GLU 27 H GLU 27 -2.248 -5.102 -15.357 214 HA GLU 27 HA GLU 27 -5.096 -5.352 -14.910 215 HB2 GLU 27 2HB GLU 27 -2.793 -6.966 -13.749 216 HB3 GLU 27 1HB GLU 27 -4.498 -7.390 -13.642 217 HG2 GLU 27 2HG GLU 27 -4.509 -7.439 -16.194 218 HG3 GLU 27 1HG GLU 27 -2.748 -7.334 -16.107 219 H LEU 28 H LEU 28 -2.356 -4.054 -13.107 220 HA LEU 28 HA LEU 28 -3.858 -3.848 -10.650 221 HB2 LEU 28 2HB LEU 28 -1.316 -4.074 -10.791 222 HB3 LEU 28 1HB LEU 28 -1.260 -2.412 -11.333 223 HG LEU 28 HG LEU 28 -2.578 -3.085 -8.692 224 HD11 LEU 28 1HD1 LEU 28 -0.344 -4.130 -8.623 225 HD12 LEU 28 2HD1 LEU 28 -0.532 -2.814 -7.467 226 HD13 LEU 28 3HD1 LEU 28 0.374 -2.550 -8.961 227 HD21 LEU 28 3HD2 LEU 28 -1.098 -0.606 -9.619 228 HD22 LEU 28 1HD2 LEU 28 -1.898 -0.805 -8.054 229 HD23 LEU 28 2HD2 LEU 28 -2.848 -0.788 -9.537 230 H ASP 29 H ASP 29 -5.029 -2.190 -9.997 231 HA ASP 29 HA ASP 29 -4.821 0.501 -11.151 232 HB2 ASP 29 2HB ASP 29 -6.825 -0.702 -12.192 233 HB3 ASP 29 1HB ASP 29 -7.484 -0.859 -10.564 234 H ASP 30 H ASP 30 -5.997 2.054 -9.645 235 HA ASP 30 HA ASP 30 -5.035 1.682 -7.006 236 HB2 ASP 30 2HB ASP 30 -5.960 3.938 -6.571 237 HB3 ASP 30 1HB ASP 30 -4.978 3.879 -8.029 238 H GLN 31 H GLN 31 -8.059 0.970 -8.496 239 HA GLN 31 HA GLN 31 -9.393 0.574 -5.878 240 HB2 GLN 31 2HB GLN 31 -10.592 0.537 -8.679 241 HB3 GLN 31 1HB GLN 31 -11.490 0.473 -7.166 242 HG2 GLN 31 2HG GLN 31 -10.677 2.764 -6.626 243 HG3 GLN 31 1HG GLN 31 -9.853 2.821 -8.183 244 HE21 GLN 31 1HE2 GLN 31 -11.907 4.595 -7.183 245 HE22 GLN 31 2HE2 GLN 31 -13.228 4.528 -8.295 246 H THR 32 H THR 32 -7.616 -1.162 -8.176 247 HA THR 32 HA THR 32 -8.973 -3.679 -8.140 248 HB THR 32 HB THR 32 -6.077 -2.986 -8.718 249 HG1 THR 32 HG1 THR 32 -8.093 -3.849 -10.512 250 HG21 THR 32 3HG2 THR 32 -6.170 -5.355 -7.977 251 HG22 THR 32 1HG2 THR 32 -5.830 -5.242 -9.706 252 HG23 THR 32 2HG2 THR 32 -7.448 -5.676 -9.150 253 HA PRO 33 HA PRO 33 -7.796 -4.627 -3.863 254 HB2 PRO 33 2HB PRO 33 -8.975 -7.118 -3.718 255 HB3 PRO 33 1HB PRO 33 -9.884 -5.595 -3.604 256 HG2 PRO 33 2HG PRO 33 -9.561 -7.415 -5.950 257 HG3 PRO 33 1HG PRO 33 -11.005 -6.550 -5.391 258 HD2 PRO 33 2HD PRO 33 -9.477 -5.672 -7.465 259 HD3 PRO 33 1HD PRO 33 -10.393 -4.575 -6.412 260 H LEU 34 H LEU 34 -5.653 -4.945 -3.690 261 HA LEU 34 HA LEU 34 -4.057 -6.642 -5.293 262 HB2 LEU 34 2HB LEU 34 -3.445 -5.276 -2.645 263 HB3 LEU 34 1HB LEU 34 -2.253 -6.138 -3.591 264 HG LEU 34 HG LEU 34 -1.852 -3.854 -3.996 265 HD11 LEU 34 1HD1 LEU 34 -3.423 -4.818 -6.391 266 HD12 LEU 34 2HD1 LEU 34 -1.724 -5.151 -6.044 267 HD13 LEU 34 3HD1 LEU 34 -2.244 -3.504 -6.381 268 HD21 LEU 34 3HD2 LEU 34 -3.888 -2.857 -3.150 269 HD22 LEU 34 1HD2 LEU 34 -4.767 -3.380 -4.588 270 HD23 LEU 34 2HD2 LEU 34 -3.472 -2.187 -4.726 271 H LEU 35 H LEU 35 -5.391 -7.042 -1.988 272 HA LEU 35 HA LEU 35 -4.176 -9.498 -1.296 273 HB2 LEU 35 2HB LEU 35 -6.907 -8.408 -0.543 274 HB3 LEU 35 1HB LEU 35 -6.227 -9.862 0.167 275 HG LEU 35 HG LEU 35 -5.022 -7.081 0.450 276 HD11 LEU 35 1HD1 LEU 35 -7.189 -7.276 1.596 277 HD12 LEU 35 2HD1 LEU 35 -5.861 -7.164 2.745 278 HD13 LEU 35 3HD1 LEU 35 -6.622 -8.727 2.432 279 HD21 LEU 35 3HD2 LEU 35 -4.310 -9.671 1.877 280 HD22 LEU 35 1HD2 LEU 35 -3.595 -8.083 2.171 281 HD23 LEU 35 2HD2 LEU 35 -3.332 -8.896 0.631 282 H GLU 36 H GLU 36 -7.283 -8.834 -2.897 283 HA GLU 36 HA GLU 36 -8.206 -11.461 -3.227 284 HB2 GLU 36 2HB GLU 36 -9.670 -9.510 -3.512 285 HB3 GLU 36 1HB GLU 36 -8.734 -8.985 -4.905 286 HG2 GLU 36 2HG GLU 36 -10.849 -9.959 -5.607 287 HG3 GLU 36 1HG GLU 36 -9.503 -10.930 -6.191 288 H TRP 37 H TRP 37 -6.074 -9.470 -5.254 289 HA TRP 37 HA TRP 37 -6.104 -11.438 -7.446 290 HB2 TRP 37 2HB TRP 37 -4.757 -8.746 -7.054 291 HB3 TRP 37 1HB TRP 37 -4.330 -9.789 -8.409 292 HD1 TRP 37 HD1 TRP 37 -7.724 -8.471 -6.950 293 HE1 TRP 37 HE1 TRP 37 -9.203 -7.756 -8.913 294 HE3 TRP 37 HE3 TRP 37 -4.564 -9.665 -10.797 295 HZ2 TRP 37 HZ2 TRP 37 -9.054 -7.711 -11.740 296 HZ3 TRP 37 HZ3 TRP 37 -5.319 -9.260 -13.107 297 HH2 TRP 37 HH2 TRP 37 -7.520 -8.305 -13.564 298 H GLY 38 H GLY 38 -4.711 -11.551 -4.524 299 HA2 GLY 38 2HA GLY 38 -3.175 -12.992 -3.648 300 HA3 GLY 38 1HA GLY 38 -2.903 -13.645 -5.256 301 H ILE 39 H ILE 39 -2.520 -10.263 -4.828 302 HA ILE 39 HA ILE 39 0.266 -10.331 -5.569 303 HB ILE 39 HB ILE 39 -1.666 -8.046 -4.941 304 HG12 ILE 39 2HG1 ILE 39 -0.615 -9.092 -7.607 305 HG13 ILE 39 1HG1 ILE 39 -2.239 -9.327 -6.997 306 HG21 ILE 39 1HG2 ILE 39 0.625 -7.305 -4.462 307 HG22 ILE 39 2HG2 ILE 39 -0.018 -6.488 -5.884 308 HG23 ILE 39 3HG2 ILE 39 1.141 -7.807 -6.077 309 HD11 ILE 39 3HD1 ILE 39 -0.997 -6.714 -7.837 310 HD12 ILE 39 1HD1 ILE 39 -2.630 -6.909 -7.194 311 HD13 ILE 39 2HD1 ILE 39 -2.189 -7.658 -8.728 312 H LEU 40 H LEU 40 -1.700 -9.487 -2.754 313 HA LEU 40 HA LEU 40 0.712 -9.253 -1.035 314 HB2 LEU 40 2HB LEU 40 -2.114 -8.251 -0.559 315 HB3 LEU 40 1HB LEU 40 -0.731 -7.970 0.478 316 HG LEU 40 HG LEU 40 -1.163 -6.821 -2.300 317 HD11 LEU 40 1HD1 LEU 40 -2.544 -5.749 -0.617 318 HD12 LEU 40 2HD1 LEU 40 -1.255 -4.656 -1.124 319 HD13 LEU 40 3HD1 LEU 40 -1.137 -5.490 0.430 320 HD21 LEU 40 3HD2 LEU 40 1.215 -6.457 -0.456 321 HD22 LEU 40 1HD2 LEU 40 0.914 -5.553 -1.944 322 HD23 LEU 40 2HD2 LEU 40 1.202 -7.290 -2.016 323 H ASN 41 H ASN 41 1.066 -10.893 0.367 324 HA ASN 41 HA ASN 41 -1.111 -11.996 1.950 325 HB2 ASN 41 2HB ASN 41 0.209 -13.656 -0.163 326 HB3 ASN 41 1HB ASN 41 0.200 -14.421 1.416 327 HD21 ASN 41 1HD2 ASN 41 -1.814 -13.269 -1.218 328 HD22 ASN 41 2HD2 ASN 41 -3.258 -14.079 -0.723 329 H SER 42 H SER 42 0.295 -10.452 3.206 330 HA SER 42 HA SER 42 1.330 -10.149 5.164 331 HB2 SER 42 3HB SER 42 0.446 -12.333 5.866 332 HB3 SER 42 2HB SER 42 1.851 -13.141 5.172 333 H MET 43 H MET 43 3.399 -12.562 3.498 334 HA MET 43 HA MET 43 5.837 -11.826 4.488 335 HB2 MET 43 2HB MET 43 5.328 -12.786 1.644 336 HB3 MET 43 1HB MET 43 6.825 -12.964 2.547 337 HG2 MET 43 2HG MET 43 4.201 -14.314 3.236 338 HG3 MET 43 1HG MET 43 5.523 -15.064 2.353 339 HE1 MET 43 3HE MET 43 5.244 -14.400 6.892 340 HE2 MET 43 1HE MET 43 3.906 -14.499 5.747 341 HE3 MET 43 2HE MET 43 4.924 -13.058 5.786 342 H ASN 44 H ASN 44 4.472 -10.685 1.412 343 HA ASN 44 HA ASN 44 6.638 -8.768 1.017 344 HB2 ASN 44 2HB ASN 44 5.746 -8.388 -1.153 345 HB3 ASN 44 1HB ASN 44 5.633 -10.112 -0.852 346 HD21 ASN 44 1HD2 ASN 44 4.103 -8.075 -2.585 347 HD22 ASN 44 2HD2 ASN 44 2.442 -8.459 -2.297 348 H ILE 45 H ILE 45 3.649 -8.710 2.566 349 HA ILE 45 HA ILE 45 2.789 -6.028 2.138 350 HB ILE 45 HB ILE 45 2.102 -8.277 4.003 351 HG12 ILE 45 2HG1 ILE 45 0.405 -6.446 2.276 352 HG13 ILE 45 1HG1 ILE 45 0.967 -8.050 1.825 353 HG21 ILE 45 1HG2 ILE 45 0.587 -6.942 5.414 354 HG22 ILE 45 2HG2 ILE 45 1.196 -5.470 4.658 355 HG23 ILE 45 3HG2 ILE 45 2.284 -6.473 5.632 356 HD11 ILE 45 3HD1 ILE 45 -1.348 -8.100 2.450 357 HD12 ILE 45 1HD1 ILE 45 -0.983 -7.377 4.019 358 HD13 ILE 45 2HD1 ILE 45 -0.393 -9.001 3.633 359 H VAL 46 H VAL 46 4.993 -7.568 4.360 360 HA VAL 46 HA VAL 46 5.203 -5.498 6.304 361 HB VAL 46 HB VAL 46 7.245 -7.640 5.643 362 HG11 VAL 46 1HG1 VAL 46 6.695 -6.145 8.230 363 HG12 VAL 46 2HG1 VAL 46 8.102 -5.921 7.187 364 HG13 VAL 46 3HG1 VAL 46 7.872 -7.448 8.040 365 HG21 VAL 46 3HG2 VAL 46 5.033 -8.664 5.977 366 HG22 VAL 46 1HG2 VAL 46 4.877 -7.838 7.525 367 HG23 VAL 46 2HG2 VAL 46 6.121 -9.068 7.302 368 H LYS 47 H LYS 47 6.599 -5.994 3.200 369 HA LYS 47 HA LYS 47 8.743 -4.167 3.204 370 HB2 LYS 47 2HB LYS 47 6.947 -5.250 1.020 371 HB3 LYS 47 1HB LYS 47 8.122 -3.999 0.657 372 HG2 LYS 47 2HG LYS 47 8.999 -6.187 0.087 373 HG3 LYS 47 1HG LYS 47 9.946 -5.440 1.371 374 HD2 LYS 47 2HD LYS 47 8.775 -6.863 3.042 375 HD3 LYS 47 1HD LYS 47 7.863 -7.621 1.732 376 HE2 LYS 47 2HE LYS 47 9.839 -8.962 2.513 377 HE3 LYS 47 1HE LYS 47 9.881 -8.571 0.793 378 HZ1 LYS 47 3HZ LYS 47 12.027 -8.247 1.825 379 HZ2 LYS 47 1HZ LYS 47 11.380 -7.155 2.937 380 HZ3 LYS 47 2HZ LYS 47 11.420 -6.766 1.292 381 H LEU 48 H LEU 48 5.255 -3.747 2.666 382 HA LEU 48 HA LEU 48 5.321 -0.982 1.983 383 HB2 LEU 48 2HB LEU 48 3.081 -2.738 3.076 384 HB3 LEU 48 1HB LEU 48 2.844 -1.032 2.732 385 HG LEU 48 HG LEU 48 1.957 -2.304 0.881 386 HD11 LEU 48 1HD1 LEU 48 3.046 -0.191 0.248 387 HD12 LEU 48 2HD1 LEU 48 3.180 -1.382 -1.040 388 HD13 LEU 48 3HD1 LEU 48 4.576 -1.038 -0.016 389 HD21 LEU 48 3HD2 LEU 48 3.186 -4.415 1.139 390 HD22 LEU 48 1HD2 LEU 48 4.661 -3.649 0.542 391 HD23 LEU 48 2HD2 LEU 48 3.265 -3.838 -0.523 392 H MET 49 H MET 49 5.107 -2.687 5.103 393 HA MET 49 HA MET 49 4.381 -0.543 6.789 394 HB2 MET 49 2HB MET 49 6.241 -2.833 7.567 395 HB3 MET 49 1HB MET 49 5.310 -1.827 8.665 396 HG2 MET 49 2HG MET 49 3.231 -2.824 7.870 397 HG3 MET 49 1HG MET 49 4.128 -3.784 6.683 398 HE1 MET 49 3HE MET 49 3.429 -6.773 9.062 399 HE2 MET 49 1HE MET 49 3.565 -6.237 7.389 400 HE3 MET 49 2HE MET 49 2.307 -5.575 8.428 401 H VAL 50 H VAL 50 7.611 -1.745 5.880 402 HA VAL 50 HA VAL 50 9.037 0.340 7.287 403 HB VAL 50 HB VAL 50 10.050 -1.885 7.077 404 HG11 VAL 50 1HG1 VAL 50 9.174 -2.591 4.896 405 HG12 VAL 50 2HG1 VAL 50 10.929 -2.756 4.937 406 HG13 VAL 50 3HG1 VAL 50 10.194 -1.399 4.079 407 HG21 VAL 50 3HG2 VAL 50 11.612 0.001 7.317 408 HG22 VAL 50 1HG2 VAL 50 11.701 0.170 5.563 409 HG23 VAL 50 2HG2 VAL 50 12.331 -1.281 6.345 410 H TYR 51 H TYR 51 7.846 -0.111 4.009 411 HA TYR 51 HA TYR 51 9.592 1.688 2.645 412 HB2 TYR 51 2HB TYR 51 8.110 -0.038 1.484 413 HB3 TYR 51 1HB TYR 51 6.746 1.020 1.783 414 HD1 TYR 51 HD1 TYR 51 10.215 1.219 0.320 415 HD2 TYR 51 HD2 TYR 51 6.159 2.559 0.052 416 HE1 TYR 51 HE1 TYR 51 10.763 2.469 -1.717 417 HE2 TYR 51 HE2 TYR 51 6.717 3.798 -1.994 418 HH TYR 51 HH TYR 51 8.686 4.775 -3.093 419 H ILE 52 H ILE 52 6.242 2.013 3.650 420 HA ILE 52 HA ILE 52 5.816 4.724 2.932 421 HB ILE 52 HB ILE 52 4.377 2.910 4.938 422 HG12 ILE 52 2HG1 ILE 52 3.597 3.484 2.041 423 HG13 ILE 52 1HG1 ILE 52 4.618 2.122 2.487 424 HG21 ILE 52 1HG2 ILE 52 2.409 4.350 4.671 425 HG22 ILE 52 2HG2 ILE 52 3.321 5.415 3.602 426 HG23 ILE 52 3HG2 ILE 52 3.773 5.278 5.297 427 HD11 ILE 52 3HD1 ILE 52 2.835 1.199 3.828 428 HD12 ILE 52 1HD1 ILE 52 2.326 1.461 2.161 429 HD13 ILE 52 2HD1 ILE 52 1.796 2.574 3.424 430 H ARG 53 H ARG 53 7.050 3.182 5.858 431 HA ARG 53 HA ARG 53 7.173 5.452 7.559 432 HB2 ARG 53 2HB ARG 53 7.400 3.132 8.385 433 HB3 ARG 53 1HB ARG 53 8.952 2.987 7.563 434 HG2 ARG 53 2HG ARG 53 9.870 4.799 8.991 435 HG3 ARG 53 1HG ARG 53 8.319 4.917 9.826 436 HD2 ARG 53 2HD ARG 53 9.950 3.626 11.125 437 HD3 ARG 53 1HD ARG 53 8.571 2.636 10.661 438 HE ARG 53 HE ARG 53 9.980 1.262 9.533 439 HH11 ARG 53 1HH1 ARG 53 11.717 4.291 9.917 440 HH12 ARG 53 2HH1 ARG 53 13.190 3.663 9.260 441 HH21 ARG 53 1HH2 ARG 53 11.923 0.455 8.731 442 HH22 ARG 53 2HH2 ARG 53 13.302 1.492 8.593 443 H ASP 54 H ASP 54 9.435 4.168 5.157 444 HA ASP 54 HA ASP 54 11.519 6.129 5.774 445 HB2 ASP 54 2HB ASP 54 12.086 3.744 5.246 446 HB3 ASP 54 1HB ASP 54 11.422 3.951 3.636 447 H GLU 55 H GLU 55 8.844 5.841 3.646 448 HA GLU 55 HA GLU 55 9.906 7.584 1.536 449 HB2 GLU 55 2HB GLU 55 8.402 5.447 1.236 450 HB3 GLU 55 1HB GLU 55 7.065 6.474 1.700 451 HG2 GLU 55 2HG GLU 55 8.837 6.801 -0.736 452 HG3 GLU 55 1HG GLU 55 7.188 6.199 -0.721 453 H MET 56 H MET 56 6.982 7.506 3.597 454 HA MET 56 HA MET 56 6.740 10.456 3.386 455 HB2 MET 56 2HB MET 56 4.347 10.183 3.247 456 HB3 MET 56 1HB MET 56 5.078 9.153 2.039 457 HG2 MET 56 2HG MET 56 4.840 7.317 3.900 458 HG3 MET 56 1HG MET 56 3.651 8.433 4.559 459 HE1 MET 56 3HE MET 56 3.345 6.114 0.580 460 HE2 MET 56 1HE MET 56 4.499 5.800 1.873 461 HE3 MET 56 2HE MET 56 4.668 7.242 0.871 462 H GLY 57 H GLY 57 7.546 8.107 5.503 463 HA2 GLY 57 2HA GLY 57 8.075 8.328 7.728 464 HA3 GLY 57 1HA GLY 57 7.272 9.885 7.749 465 H VAL 58 H VAL 58 5.737 6.813 6.817 466 HA VAL 58 HA VAL 58 4.171 6.802 9.356 467 HB VAL 58 HB VAL 58 3.138 6.379 6.512 468 HG11 VAL 58 1HG1 VAL 58 1.604 6.071 9.113 469 HG12 VAL 58 2HG1 VAL 58 2.002 4.782 7.969 470 HG13 VAL 58 3HG1 VAL 58 0.886 6.069 7.498 471 HG21 VAL 58 3HG2 VAL 58 1.699 8.319 6.966 472 HG22 VAL 58 1HG2 VAL 58 3.411 8.739 7.074 473 HG23 VAL 58 2HG2 VAL 58 2.457 8.519 8.548 474 H SER 59 H SER 59 4.857 4.964 10.382 475 HA SER 59 HA SER 59 5.275 2.458 8.931 476 HB2 SER 59 2HB SER 59 5.665 1.572 11.297 477 HB3 SER 59 1HB SER 59 6.757 2.866 10.809 478 HG SER 59 HG SER 59 4.441 3.132 12.443 479 H ILE 60 H ILE 60 3.529 1.127 8.467 480 HA ILE 60 HA ILE 60 0.964 1.460 9.760 481 HB ILE 60 HB ILE 60 1.828 -0.961 8.114 482 HG12 ILE 60 2HG1 ILE 60 2.010 1.241 6.807 483 HG13 ILE 60 1HG1 ILE 60 0.918 0.042 6.122 484 HG21 ILE 60 1HG2 ILE 60 -0.626 -1.262 7.797 485 HG22 ILE 60 2HG2 ILE 60 -0.934 0.100 8.874 486 HG23 ILE 60 3HG2 ILE 60 -0.158 -1.361 9.491 487 HD11 ILE 60 3HD1 ILE 60 0.120 2.486 7.706 488 HD12 ILE 60 1HD1 ILE 60 -1.004 1.254 7.105 489 HD13 ILE 60 2HD1 ILE 60 -0.063 2.232 5.971 490 HA PRO 61 HA PRO 61 2.461 -1.111 13.245 491 HB2 PRO 61 2HB PRO 61 0.431 -0.560 14.971 492 HB3 PRO 61 1HB PRO 61 1.674 0.648 14.589 493 HG2 PRO 61 2HG PRO 61 -1.090 0.390 13.453 494 HG3 PRO 61 1HG PRO 61 -0.255 1.840 14.055 495 HD2 PRO 61 2HD PRO 61 -0.410 1.216 11.410 496 HD3 PRO 61 1HD PRO 61 0.962 2.106 12.106 497 H SER 62 H SER 62 1.625 -3.012 14.433 498 HA SER 62 HA SER 62 0.445 -4.869 12.698 499 HB2 SER 62 2HB SER 62 0.513 -6.440 14.603 500 HB3 SER 62 1HB SER 62 2.022 -5.536 14.453 501 HG SER 62 HG SER 62 0.947 -5.757 16.631 502 H THR 63 H THR 63 -1.015 -2.756 15.077 503 HA THR 63 HA THR 63 -3.548 -4.029 15.286 504 HB THR 63 HB THR 63 -2.779 -2.439 16.978 505 HG1 THR 63 HG1 THR 63 -5.109 -2.691 16.414 506 HG21 THR 63 3HG2 THR 63 -1.560 -0.835 15.573 507 HG22 THR 63 1HG2 THR 63 -2.748 -0.014 16.588 508 HG23 THR 63 2HG2 THR 63 -3.082 -0.275 14.875 509 H HIS 64 H HIS 64 -2.233 -1.645 13.002 510 HA HIS 64 HA HIS 64 -4.755 -1.482 11.505 511 HB2 HIS 64 2HB HIS 64 -2.179 0.071 11.410 512 HB3 HIS 64 1HB HIS 64 -3.188 0.022 9.964 513 HD1 HIS 64 HD1 HIS 64 -2.926 1.653 13.273 514 HD2 HIS 64 HD2 HIS 64 -5.819 1.140 10.332 515 HE1 HIS 64 HE1 HIS 64 -4.751 3.280 13.824 516 HE2 HIS 64 HE2 HIS 64 -6.472 2.993 12.005 517 H ILE 65 H ILE 65 -2.349 -3.739 11.626 518 HA ILE 65 HA ILE 65 -2.391 -4.413 8.802 519 HB ILE 65 HB ILE 65 -1.451 -6.110 11.158 520 HG12 ILE 65 2HG1 ILE 65 -0.079 -4.089 10.959 521 HG13 ILE 65 1HG1 ILE 65 0.852 -5.485 10.434 522 HG21 ILE 65 1HG2 ILE 65 -1.999 -7.524 9.248 523 HG22 ILE 65 2HG2 ILE 65 -0.248 -7.450 9.432 524 HG23 ILE 65 3HG2 ILE 65 -1.041 -6.509 8.164 525 HD11 ILE 65 3HD1 ILE 65 1.190 -3.523 9.042 526 HD12 ILE 65 1HD1 ILE 65 -0.519 -3.527 8.606 527 HD13 ILE 65 2HD1 ILE 65 0.520 -4.876 8.124 528 H THR 66 H THR 66 -4.488 -4.609 8.256 529 HA THR 66 HA THR 66 -5.779 -7.103 8.931 530 HB THR 66 HB THR 66 -6.899 -5.785 10.595 531 HG1 THR 66 HG1 THR 66 -8.739 -6.565 9.921 532 HG21 THR 66 3HG2 THR 66 -7.946 -3.608 10.193 533 HG22 THR 66 1HG2 THR 66 -7.437 -3.647 8.502 534 HG23 THR 66 2HG2 THR 66 -6.230 -3.529 9.786 535 H GLY 67 H GLY 67 -7.322 -7.728 7.353 536 HA2 GLY 67 2HA GLY 67 -6.482 -7.266 4.735 537 HA3 GLY 67 1HA GLY 67 -7.939 -8.120 5.197 538 H LYS 68 H LYS 68 -9.272 -5.921 6.470 539 HA LYS 68 HA LYS 68 -10.627 -4.799 4.263 540 HB2 LYS 68 2HB LYS 68 -11.819 -3.436 5.957 541 HB3 LYS 68 1HB LYS 68 -11.711 -5.134 6.408 542 HG2 LYS 68 2HG LYS 68 -9.806 -4.605 7.926 543 HG3 LYS 68 1HG LYS 68 -9.978 -2.893 7.521 544 HD2 LYS 68 2HD LYS 68 -12.236 -2.868 8.492 545 HD3 LYS 68 1HD LYS 68 -12.136 -4.600 8.814 546 HE2 LYS 68 2HE LYS 68 -10.215 -4.162 10.356 547 HE3 LYS 68 1HE LYS 68 -10.439 -2.431 10.095 548 HZ1 LYS 68 3HZ LYS 68 -12.668 -2.631 11.008 549 HZ2 LYS 68 1HZ LYS 68 -11.505 -3.160 12.122 550 HZ3 LYS 68 2HZ LYS 68 -12.435 -4.285 11.266 551 H TYR 69 H TYR 69 -7.930 -3.589 6.157 552 HA TYR 69 HA TYR 69 -7.986 -0.935 4.903 553 HB2 TYR 69 2HB TYR 69 -6.348 -2.098 7.179 554 HB3 TYR 69 1HB TYR 69 -6.031 -0.506 6.488 555 HD1 TYR 69 HD2 TYR 69 -9.257 -0.089 6.071 556 HD2 TYR 69 HD1 TYR 69 -6.718 -0.966 9.406 557 HE1 TYR 69 HE2 TYR 69 -10.884 0.946 7.582 558 HE2 TYR 69 HE1 TYR 69 -8.352 0.078 10.906 559 HH TYR 69 HH TYR 69 -10.202 1.774 10.752 560 H PHE 70 H PHE 70 -6.586 -3.958 4.325 561 HA PHE 70 HA PHE 70 -4.465 -2.777 2.611 562 HB2 PHE 70 2HB PHE 70 -4.538 -5.341 4.218 563 HB3 PHE 70 1HB PHE 70 -3.560 -5.290 2.758 564 HD1 PHE 70 HD2 PHE 70 -3.985 -3.770 6.135 565 HD2 PHE 70 HD1 PHE 70 -1.475 -4.088 2.683 566 HE1 PHE 70 HE2 PHE 70 -2.157 -2.675 7.349 567 HE2 PHE 70 HE1 PHE 70 0.347 -2.985 3.909 568 HZ PHE 70 HZ PHE 70 0.010 -2.279 6.245 569 H LYS 71 H LYS 71 -7.501 -3.685 2.243 570 HA LYS 71 HA LYS 71 -7.765 -5.753 0.428 571 HB2 LYS 71 2HB LYS 71 -9.252 -3.124 0.611 572 HB3 LYS 71 1HB LYS 71 -9.687 -4.321 -0.607 573 HG2 LYS 71 2HG LYS 71 -10.264 -5.931 1.119 574 HG3 LYS 71 1HG LYS 71 -9.717 -4.817 2.381 575 HD2 LYS 71 2HD LYS 71 -12.175 -4.795 2.145 576 HD3 LYS 71 1HD LYS 71 -11.472 -3.221 1.779 577 HE2 LYS 71 2HE LYS 71 -11.615 -3.888 -0.693 578 HE3 LYS 71 1HE LYS 71 -12.580 -5.268 -0.175 579 HZ1 LYS 71 3HZ LYS 71 -13.240 -2.405 0.218 580 HZ2 LYS 71 1HZ LYS 71 -14.175 -3.692 0.796 581 HZ3 LYS 71 2HZ LYS 71 -13.978 -3.467 -0.869 582 H ASP 72 H ASP 72 -7.256 -2.358 -0.306 583 HA ASP 72 HA ASP 72 -5.918 -2.851 -2.833 584 HB2 ASP 72 2HB ASP 72 -7.487 -1.445 -4.157 585 HB3 ASP 72 1HB ASP 72 -8.330 -2.846 -3.509 586 H LEU 73 H LEU 73 -5.719 -0.443 -3.825 587 HA LEU 73 HA LEU 73 -3.854 0.797 -2.107 588 HB2 LEU 73 2HB LEU 73 -3.633 0.723 -4.546 589 HB3 LEU 73 1HB LEU 73 -5.063 1.730 -4.715 590 HG LEU 73 HG LEU 73 -3.794 3.552 -3.441 591 HD11 LEU 73 1HD1 LEU 73 -2.060 2.169 -2.396 592 HD12 LEU 73 2HD1 LEU 73 -1.329 3.403 -3.419 593 HD13 LEU 73 3HD1 LEU 73 -1.420 1.735 -3.984 594 HD21 LEU 73 3HD2 LEU 73 -4.126 3.807 -5.761 595 HD22 LEU 73 1HD2 LEU 73 -2.908 2.595 -6.157 596 HD23 LEU 73 2HD2 LEU 73 -2.426 4.143 -5.477 597 H ASN 74 H ASN 74 -7.167 1.691 -3.079 598 HA ASN 74 HA ASN 74 -7.093 4.254 -1.733 599 HB2 ASN 74 2HB ASN 74 -9.416 2.699 -2.950 600 HB3 ASN 74 1HB ASN 74 -9.566 4.317 -2.265 601 HD21 ASN 74 1HD2 ASN 74 -10.039 3.426 -4.988 602 HD22 ASN 74 2HD2 ASN 74 -9.004 4.369 -6.001 603 H ALA 75 H ALA 75 -7.983 0.972 -0.815 604 HA ALA 75 HA ALA 75 -9.206 1.586 1.699 605 HB1 ALA 75 3HB ALA 75 -9.350 -0.654 0.674 606 HB2 ALA 75 1HB ALA 75 -8.681 -0.747 2.306 607 HB3 ALA 75 2HB ALA 75 -7.615 -0.879 0.902 608 H ILE 76 H ILE 76 -5.874 0.833 0.778 609 HA ILE 76 HA ILE 76 -4.591 1.357 3.246 610 HB ILE 76 HB ILE 76 -3.529 1.420 0.390 611 HG12 ILE 76 2HG1 ILE 76 -3.171 -0.650 2.595 612 HG13 ILE 76 1HG1 ILE 76 -4.339 -0.803 1.284 613 HG21 ILE 76 1HG2 ILE 76 -2.074 2.852 1.791 614 HG22 ILE 76 2HG2 ILE 76 -1.231 1.372 1.333 615 HG23 ILE 76 3HG2 ILE 76 -1.893 1.541 2.958 616 HD11 ILE 76 3HD1 ILE 76 -2.483 -0.883 -0.321 617 HD12 ILE 76 1HD1 ILE 76 -2.402 -2.165 0.889 618 HD13 ILE 76 2HD1 ILE 76 -1.340 -0.760 1.023 619 H SER 77 H SER 77 -5.663 3.485 0.640 620 HA SER 77 HA SER 77 -4.162 5.778 1.394 621 HB2 SER 77 2HB SER 77 -5.295 5.574 -0.834 622 HB3 SER 77 1HB SER 77 -6.862 5.722 -0.030 623 HG SER 77 HG SER 77 -4.979 7.701 0.521 624 H ARG 78 H ARG 78 -7.510 4.754 2.179 625 HA ARG 78 HA ARG 78 -8.159 7.010 3.791 626 HB2 ARG 78 2HB ARG 78 -9.289 4.186 3.960 627 HB3 ARG 78 1HB ARG 78 -9.997 5.606 4.720 628 HG2 ARG 78 2HG ARG 78 -9.799 5.002 1.764 629 HG3 ARG 78 1HG ARG 78 -11.256 5.158 2.739 630 HD2 ARG 78 2HD ARG 78 -9.349 7.382 1.934 631 HD3 ARG 78 1HD ARG 78 -11.002 7.144 1.372 632 HE ARG 78 HE ARG 78 -11.616 7.502 3.821 633 HH11 ARG 78 1HH1 ARG 78 -8.897 9.114 2.280 634 HH12 ARG 78 2HH1 ARG 78 -8.963 10.489 3.332 635 HH21 ARG 78 1HH2 ARG 78 -11.692 9.302 5.177 636 HH22 ARG 78 2HH2 ARG 78 -10.554 10.589 4.975 637 H THR 79 H THR 79 -6.495 4.039 4.495 638 HA THR 79 HA THR 79 -6.421 4.306 7.347 639 HB THR 79 HB THR 79 -4.724 2.568 5.519 640 HG1 THR 79 HG1 THR 79 -6.553 1.576 5.208 641 HG21 THR 79 3HG2 THR 79 -4.457 1.098 7.484 642 HG22 THR 79 1HG2 THR 79 -5.384 2.227 8.476 643 HG23 THR 79 2HG2 THR 79 -3.808 2.704 7.839 644 H VAL 80 H VAL 80 -4.252 5.155 4.688 645 HA VAL 80 HA VAL 80 -2.030 5.682 6.505 646 HB VAL 80 HB VAL 80 -1.809 4.616 4.160 647 HG11 VAL 80 1HG1 VAL 80 -1.503 6.112 2.243 648 HG12 VAL 80 2HG1 VAL 80 -2.025 7.492 3.213 649 HG13 VAL 80 3HG1 VAL 80 -3.156 6.177 2.865 650 HG21 VAL 80 3HG2 VAL 80 0.010 6.946 4.863 651 HG22 VAL 80 1HG2 VAL 80 0.407 5.639 3.744 652 HG23 VAL 80 2HG2 VAL 80 0.149 5.290 5.454 653 H GLU 81 H GLU 81 -4.566 7.516 4.903 654 HA GLU 81 HA GLU 81 -3.456 10.117 5.190 655 HB2 GLU 81 2HB GLU 81 -6.410 9.356 5.218 656 HB3 GLU 81 1HB GLU 81 -5.788 10.989 5.031 657 HG2 GLU 81 2HG GLU 81 -5.613 8.709 3.059 658 HG3 GLU 81 1HG GLU 81 -6.486 10.210 2.885 659 H GLN 82 H GLN 82 -5.605 8.191 7.313 660 HA GLN 82 HA GLN 82 -5.737 10.146 9.398 661 HB2 GLN 82 2HB GLN 82 -6.798 8.439 10.772 662 HB3 GLN 82 1HB GLN 82 -7.479 8.411 9.152 663 HG2 GLN 82 2HG GLN 82 -6.187 6.410 8.600 664 HG3 GLN 82 1HG GLN 82 -5.377 6.466 10.159 665 HE21 GLN 82 1HE2 GLN 82 -8.851 7.015 9.685 666 HE22 GLN 82 2HE2 GLN 82 -9.358 5.583 10.500 667 H LEU 83 H LEU 83 -3.509 7.523 8.680 668 HA LEU 83 HA LEU 83 -2.162 7.606 11.224 669 HB2 LEU 83 2HB LEU 83 -1.442 6.286 8.598 670 HB3 LEU 83 1HB LEU 83 -0.408 6.201 10.016 671 HG LEU 83 HG LEU 83 -3.253 5.115 9.880 672 HD11 LEU 83 1HD1 LEU 83 -0.626 3.612 9.863 673 HD12 LEU 83 2HD1 LEU 83 -1.698 3.837 8.479 674 HD13 LEU 83 3HD1 LEU 83 -2.246 2.902 9.871 675 HD21 LEU 83 3HD2 LEU 83 -2.686 5.802 12.170 676 HD22 LEU 83 1HD2 LEU 83 -1.177 4.889 12.095 677 HD23 LEU 83 2HD2 LEU 83 -2.726 4.044 12.055 678 H LYS 84 H LYS 84 -1.694 9.159 8.075 679 HA LYS 84 HA LYS 84 0.710 10.558 8.813 680 HB2 LYS 84 2HB LYS 84 -1.414 11.209 6.734 681 HB3 LYS 84 1HB LYS 84 -0.018 12.244 7.008 682 HG2 LYS 84 2HG LYS 84 1.496 10.423 6.383 683 HG3 LYS 84 1HG LYS 84 0.120 9.346 6.133 684 HD2 LYS 84 2HD LYS 84 0.676 11.901 4.574 685 HD3 LYS 84 1HD LYS 84 0.983 10.261 3.997 686 HE2 LYS 84 2HE LYS 84 -1.403 9.749 4.082 687 HE3 LYS 84 1HE LYS 84 -1.749 11.340 4.762 688 HZ1 LYS 84 3HZ LYS 84 -2.192 11.187 2.392 689 HZ2 LYS 84 1HZ LYS 84 -0.557 10.870 2.101 690 HZ3 LYS 84 2HZ LYS 84 -1.024 12.360 2.753 691 H ALA 85 H ALA 85 -2.697 11.097 9.468 692 HA ALA 85 HA ALA 85 -2.419 13.788 10.417 693 HB1 ALA 85 3HB ALA 85 -4.682 13.482 11.314 694 HB2 ALA 85 1HB ALA 85 -4.584 11.745 11.015 695 HB3 ALA 85 2HB ALA 85 -4.578 12.878 9.659 696 H GLU 86 H GLU 86 -2.061 10.597 11.864 697 HA GLU 86 HA GLU 86 -1.773 11.612 14.580 698 HB2 GLU 86 2HB GLU 86 -1.319 8.797 13.511 699 HB3 GLU 86 1HB GLU 86 -1.426 9.252 15.206 700 HG2 GLU 86 2HG GLU 86 -3.647 9.311 13.153 701 HG3 GLU 86 1HG GLU 86 -3.509 8.237 14.536 702 H SER 87 H SER 87 0.324 10.479 11.998 703 HA SER 87 HA SER 87 2.715 10.369 13.681 704 HB2 SER 87 2HB SER 87 2.307 8.551 12.065 705 HB3 SER 87 1HB SER 87 2.328 9.708 10.734 706 HG SER 87 HG SER 87 4.365 9.132 10.724 707 H ALA 88 H ALA 88 1.643 12.078 10.743 708 HA ALA 88 HA ALA 88 3.984 13.874 10.811 709 HB1 ALA 88 3HB ALA 88 3.478 12.764 8.697 710 HB2 ALA 88 1HB ALA 88 3.222 14.502 8.526 711 HB3 ALA 88 2HB ALA 88 1.839 13.414 8.701 712 H LEU 89 H LEU 89 3.792 16.115 11.048 713 HA LEU 89 HA LEU 89 1.315 17.170 12.150 714 HB2 LEU 89 2HB LEU 89 2.462 19.140 12.704 715 HB3 LEU 89 1HB LEU 89 3.595 17.846 13.007 716 HG LEU 89 HG LEU 89 3.697 19.643 10.543 717 HD11 LEU 89 1HD1 LEU 89 4.086 20.959 12.573 718 HD12 LEU 89 2HD1 LEU 89 5.577 20.780 11.651 719 HD13 LEU 89 3HD1 LEU 89 5.317 19.808 13.101 720 HD21 LEU 89 3HD2 LEU 89 4.775 17.483 10.171 721 HD22 LEU 89 1HD2 LEU 89 5.726 17.677 11.648 722 HD23 LEU 89 2HD2 LEU 89 5.986 18.759 10.278 723 H GLU 90 H GLU 90 2.587 16.782 9.045 724 HA GLU 90 HA GLU 90 1.482 19.132 7.788 725 HB2 GLU 90 2HB GLU 90 2.608 16.591 6.545 726 HB3 GLU 90 1HB GLU 90 2.251 18.081 5.677 727 HG2 GLU 90 2HG GLU 90 4.008 19.253 6.903 728 HG3 GLU 90 1HG GLU 90 4.331 17.816 7.872 729 H281 4EM 101 2H28 PYA 142 1.328 -10.398 8.944 730 H283 4EM 101 3H28 PYA 142 2.194 -11.236 10.229 731 H303 4EM 101 3H30 PYA 142 -1.175 -10.110 9.133 732 H301 4EM 101 1H30 PYA 142 -2.014 -10.578 10.623 733 H302 4EM 101 2H30 PYA 142 -1.384 -11.815 9.532 734 H312 4EM 101 2H31 PYA 142 1.343 -9.340 11.709 735 H313 4EM 101 3H31 PYA 142 0.378 -8.694 10.380 736 H311 4EM 101 1H31 PYA 142 -0.403 -9.106 11.912 737 H32 4EM 101 H32 PYA 142 0.970 -11.653 12.487 738 H33 4EM 101 H33 PYA 142 -1.174 -12.061 13.421 739 H36 4EM 101 H36 PYA 142 -2.080 -13.070 11.369 740 H373 4EM 101 3H37 PYA 142 -0.772 -15.707 10.895 741 H372 4EM 101 2H37 PYA 142 -2.245 -15.529 11.838 742 H382 4EM 101 2H38 PYA 142 -2.698 -16.333 9.552 743 H383 4EM 101 3H38 PYA 142 -1.939 -14.884 8.898 744 H41 4EM 101 H41 PYA 142 -3.397 -13.456 8.178 745 H423 4EM 101 3H42 PYA 142 -6.151 -13.341 9.277 746 H422 4EM 101 2H42 PYA 142 -5.629 -12.817 7.676 747 H433 4EM 101 3H43 PYA 142 -4.900 -11.453 10.275 748 H432 4EM 101 2H43 PYA 142 -6.129 -10.898 9.130 749 H44 4EM 101 H44 PYA 142 -3.339 -11.301 8.538 750 H49 4EM 101 H49 PYA 142 -3.765 -7.191 6.861 751 H51 4EM 101 H51 PYA 142 -1.338 -7.144 5.881 752 H50 4EM 101 H50 PYA 142 -0.313 -9.516 6.134 753 H48 4EM 101 H48 PYA 142 -2.117 -10.984 7.223 Start of MODEL 7 1 H1 MET 1 1H MET 1 2.734 15.738 -0.976 2 H2 MET 1 2H MET 1 2.247 14.982 0.453 3 H3 MET 1 3H MET 1 3.508 16.095 0.482 4 HA MET 1 HA MET 1 1.440 16.962 1.367 5 HB2 MET 1 2HB MET 1 1.558 19.086 0.189 6 HB3 MET 1 1HB MET 1 3.173 18.439 0.415 7 HG2 MET 1 2HG MET 1 3.169 17.674 -1.955 8 HG3 MET 1 1HG MET 1 1.582 18.411 -2.168 9 HE1 MET 1 3HE MET 1 2.529 22.232 -1.434 10 HE2 MET 1 1HE MET 1 2.075 21.036 -0.221 11 HE3 MET 1 2HE MET 1 1.194 21.124 -1.746 12 H ASP 2 H ASP 2 0.988 14.955 -1.204 13 HA ASP 2 HA ASP 2 -1.838 15.715 -1.535 14 HB2 ASP 2 2HB ASP 2 -0.661 16.776 -3.432 15 HB3 ASP 2 1HB ASP 2 0.163 15.269 -3.816 16 H GLY 3 H GLY 3 -3.131 13.958 -2.375 17 HA2 GLY 3 2HA GLY 3 -2.489 11.374 -1.298 18 HA3 GLY 3 1HA GLY 3 -3.935 11.829 -2.186 19 H GLU 4 H GLU 4 -3.262 12.413 -4.691 20 HA GLU 4 HA GLU 4 -2.736 9.883 -5.877 21 HB2 GLU 4 2HB GLU 4 -2.825 12.659 -7.107 22 HB3 GLU 4 1HB GLU 4 -2.573 11.213 -8.080 23 HG2 GLU 4 2HG GLU 4 -4.753 10.330 -7.226 24 HG3 GLU 4 1HG GLU 4 -5.019 11.875 -6.421 25 H GLU 5 H GLU 5 -0.678 12.569 -5.206 26 HA GLU 5 HA GLU 5 1.750 12.133 -6.356 27 HB2 GLU 5 2HB GLU 5 1.245 13.974 -4.822 28 HB3 GLU 5 1HB GLU 5 1.019 12.850 -3.492 29 HG2 GLU 5 2HG GLU 5 3.503 12.256 -3.777 30 HG3 GLU 5 1HG GLU 5 3.604 13.690 -4.806 31 H VAL 6 H VAL 6 0.498 10.524 -3.409 32 HA VAL 6 HA VAL 6 2.935 8.915 -3.179 33 HB VAL 6 HB VAL 6 2.197 8.269 -0.961 34 HG11 VAL 6 1HG1 VAL 6 2.060 10.484 0.145 35 HG12 VAL 6 2HG1 VAL 6 1.731 11.232 -1.419 36 HG13 VAL 6 3HG1 VAL 6 3.283 10.444 -1.130 37 HG21 VAL 6 3HG2 VAL 6 -0.433 9.732 -1.424 38 HG22 VAL 6 1HG2 VAL 6 0.081 8.962 0.083 39 HG23 VAL 6 2HG2 VAL 6 -0.244 7.983 -1.348 40 H LYS 7 H LYS 7 -0.456 8.574 -3.871 41 HA LYS 7 HA LYS 7 -0.990 5.910 -3.375 42 HB2 LYS 7 2HB LYS 7 -2.168 7.999 -5.203 43 HB3 LYS 7 1HB LYS 7 -2.738 6.346 -5.405 44 HG2 LYS 7 2HG LYS 7 -3.794 6.301 -3.342 45 HG3 LYS 7 1HG LYS 7 -2.746 7.530 -2.635 46 HD2 LYS 7 2HD LYS 7 -5.131 8.268 -3.038 47 HD3 LYS 7 1HD LYS 7 -3.911 9.298 -3.768 48 HE2 LYS 7 2HE LYS 7 -5.721 9.039 -5.315 49 HE3 LYS 7 1HE LYS 7 -4.332 8.155 -5.945 50 HZ1 LYS 7 3HZ LYS 7 -5.326 6.120 -5.098 51 HZ2 LYS 7 1HZ LYS 7 -6.346 6.890 -6.197 52 HZ3 LYS 7 2HZ LYS 7 -6.667 6.976 -4.535 53 H GLU 8 H GLU 8 -0.063 7.286 -6.514 54 HA GLU 8 HA GLU 8 0.033 4.942 -8.026 55 HB2 GLU 8 2HB GLU 8 1.591 6.234 -9.534 56 HB3 GLU 8 1HB GLU 8 0.100 7.073 -9.133 57 HG2 GLU 8 2HG GLU 8 1.258 8.473 -7.510 58 HG3 GLU 8 1HG GLU 8 2.753 7.573 -7.742 59 H LYS 9 H LYS 9 2.647 6.448 -6.106 60 HA LYS 9 HA LYS 9 4.766 4.820 -7.065 61 HB2 LYS 9 2HB LYS 9 4.569 6.431 -4.497 62 HB3 LYS 9 1HB LYS 9 6.059 5.745 -5.139 63 HG2 LYS 9 2HG LYS 9 5.899 7.177 -7.122 64 HG3 LYS 9 1HG LYS 9 4.372 7.848 -6.537 65 HD2 LYS 9 2HD LYS 9 7.077 8.094 -5.167 66 HD3 LYS 9 1HD LYS 9 6.245 9.369 -6.053 67 HE2 LYS 9 2HE LYS 9 4.456 9.412 -4.402 68 HE3 LYS 9 1HE LYS 9 5.154 8.037 -3.548 69 HZ1 LYS 9 3HZ LYS 9 5.625 10.172 -2.496 70 HZ2 LYS 9 1HZ LYS 9 6.488 10.668 -3.861 71 HZ3 LYS 9 2HZ LYS 9 7.022 9.351 -2.947 72 H ILE 10 H ILE 10 2.507 4.406 -4.407 73 HA ILE 10 HA ILE 10 3.861 2.363 -2.956 74 HB ILE 10 HB ILE 10 0.829 2.640 -3.138 75 HG12 ILE 10 2HG1 ILE 10 1.752 4.879 -2.641 76 HG13 ILE 10 1HG1 ILE 10 0.903 4.228 -1.253 77 HG21 ILE 10 1HG2 ILE 10 0.848 1.782 -0.826 78 HG22 ILE 10 2HG2 ILE 10 2.610 1.647 -0.880 79 HG23 ILE 10 3HG2 ILE 10 1.612 0.649 -1.940 80 HD11 ILE 10 3HD1 ILE 10 2.918 5.384 -0.584 81 HD12 ILE 10 1HD1 ILE 10 3.898 4.335 -1.605 82 HD13 ILE 10 2HD1 ILE 10 3.053 3.669 -0.205 83 H ARG 11 H ARG 11 1.647 2.360 -5.686 84 HA ARG 11 HA ARG 11 1.461 -0.509 -5.960 85 HB2 ARG 11 2HB ARG 11 0.254 1.875 -7.316 86 HB3 ARG 11 1HB ARG 11 0.280 0.361 -8.209 87 HG2 ARG 11 2HG ARG 11 -1.828 0.686 -7.032 88 HG3 ARG 11 1HG ARG 11 -0.972 -0.748 -6.501 89 HD2 ARG 11 2HD ARG 11 -0.738 1.808 -4.951 90 HD3 ARG 11 1HD ARG 11 -2.145 0.774 -4.762 91 HE ARG 11 HE ARG 11 0.542 -0.338 -4.310 92 HH11 ARG 11 1HH1 ARG 11 -2.580 0.590 -3.045 93 HH12 ARG 11 2HH1 ARG 11 -2.348 -0.211 -1.533 94 HH21 ARG 11 1HH2 ARG 11 0.866 -1.375 -2.310 95 HH22 ARG 11 2HH2 ARG 11 -0.385 -1.327 -1.116 96 H ARG 12 H ARG 12 3.235 2.099 -7.476 97 HA ARG 12 HA ARG 12 4.346 0.673 -9.659 98 HB2 ARG 12 2HB ARG 12 5.081 3.189 -8.186 99 HB3 ARG 12 1HB ARG 12 6.372 2.431 -9.107 100 HG2 ARG 12 2HG ARG 12 5.109 4.251 -10.339 101 HG3 ARG 12 1HG ARG 12 5.195 2.703 -11.178 102 HD2 ARG 12 2HD ARG 12 2.918 2.181 -10.574 103 HD3 ARG 12 1HD ARG 12 2.818 3.585 -9.524 104 HE ARG 12 HE ARG 12 3.291 4.746 -11.889 105 HH11 ARG 12 1HH1 ARG 12 0.953 2.275 -10.979 106 HH12 ARG 12 2HH1 ARG 12 -0.211 2.773 -12.166 107 HH21 ARG 12 1HH2 ARG 12 1.728 5.395 -13.418 108 HH22 ARG 12 2HH2 ARG 12 0.223 4.532 -13.541 109 H TYR 13 H TYR 13 5.450 1.173 -6.338 110 HA TYR 13 HA TYR 13 7.735 -0.399 -6.239 111 HB2 TYR 13 2HB TYR 13 7.048 1.013 -4.375 112 HB3 TYR 13 1HB TYR 13 5.598 0.049 -4.120 113 HD1 TYR 13 HD1 TYR 13 9.304 -0.654 -4.424 114 HD2 TYR 13 HD2 TYR 13 5.716 -1.293 -2.186 115 HE1 TYR 13 HE1 TYR 13 10.548 -2.032 -2.817 116 HE2 TYR 13 HE2 TYR 13 6.962 -2.664 -0.585 117 HH TYR 13 HH TYR 13 10.269 -2.711 -0.363 118 H ILE 14 H ILE 14 4.341 -1.455 -5.834 119 HA ILE 14 HA ILE 14 4.797 -4.185 -5.383 120 HB ILE 14 HB ILE 14 2.407 -2.839 -6.710 121 HG12 ILE 14 2HG1 ILE 14 2.878 -3.765 -3.839 122 HG13 ILE 14 1HG1 ILE 14 2.745 -2.097 -4.386 123 HG21 ILE 14 1HG2 ILE 14 2.623 -5.696 -5.672 124 HG22 ILE 14 2HG2 ILE 14 2.456 -5.212 -7.360 125 HG23 ILE 14 3HG2 ILE 14 1.137 -4.920 -6.232 126 HD11 ILE 14 3HD1 ILE 14 0.545 -4.153 -4.416 127 HD12 ILE 14 1HD1 ILE 14 0.410 -2.485 -4.984 128 HD13 ILE 14 2HD1 ILE 14 0.734 -2.818 -3.284 129 H MET 15 H MET 15 4.159 -2.473 -8.452 130 HA MET 15 HA MET 15 4.387 -4.680 -10.206 131 HB2 MET 15 2HB MET 15 5.000 -1.724 -10.746 132 HB3 MET 15 1HB MET 15 4.734 -2.938 -11.984 133 HG2 MET 15 2HG MET 15 2.523 -2.524 -10.025 134 HG3 MET 15 1HG MET 15 2.832 -1.228 -11.171 135 HE1 MET 15 3HE MET 15 1.223 -5.423 -12.291 136 HE2 MET 15 1HE MET 15 1.489 -4.847 -10.645 137 HE3 MET 15 2HE MET 15 2.868 -5.303 -11.653 138 H GLU 16 H GLU 16 6.892 -2.530 -8.853 139 HA GLU 16 HA GLU 16 8.908 -3.234 -10.806 140 HB2 GLU 16 2HB GLU 16 9.083 -1.555 -8.278 141 HB3 GLU 16 1HB GLU 16 10.398 -1.757 -9.427 142 HG2 GLU 16 2HG GLU 16 7.738 -0.422 -9.966 143 HG3 GLU 16 1HG GLU 16 9.289 0.370 -9.756 144 H ASP 17 H ASP 17 8.267 -4.085 -7.420 145 HA ASP 17 HA ASP 17 10.711 -5.787 -7.392 146 HB2 ASP 17 2HB ASP 17 9.410 -4.180 -5.155 147 HB3 ASP 17 1HB ASP 17 10.601 -5.439 -4.834 148 H LEU 18 H LEU 18 7.395 -5.496 -6.108 149 HA LEU 18 HA LEU 18 7.351 -8.143 -5.007 150 HB2 LEU 18 2HB LEU 18 5.102 -6.181 -5.574 151 HB3 LEU 18 1HB LEU 18 4.827 -7.744 -4.850 152 HG LEU 18 HG LEU 18 4.816 -6.037 -3.114 153 HD11 LEU 18 1HD1 LEU 18 5.717 -8.219 -2.446 154 HD12 LEU 18 2HD1 LEU 18 6.464 -6.914 -1.531 155 HD13 LEU 18 3HD1 LEU 18 7.355 -7.685 -2.844 156 HD21 LEU 18 3HD2 LEU 18 6.742 -4.633 -2.525 157 HD22 LEU 18 1HD2 LEU 18 6.192 -4.287 -4.163 158 HD23 LEU 18 2HD2 LEU 18 7.644 -5.256 -3.908 159 H ILE 19 H ILE 19 6.314 -6.813 -8.158 160 HA ILE 19 HA ILE 19 5.834 -9.501 -9.220 161 HB ILE 19 HB ILE 19 5.572 -6.773 -10.559 162 HG12 ILE 19 2HG1 ILE 19 3.186 -7.388 -10.885 163 HG13 ILE 19 1HG1 ILE 19 3.462 -8.906 -10.084 164 HG21 ILE 19 1HG2 ILE 19 6.484 -8.311 -12.233 165 HG22 ILE 19 2HG2 ILE 19 4.801 -7.960 -12.617 166 HG23 ILE 19 3HG2 ILE 19 5.233 -9.502 -11.869 167 HD11 ILE 19 3HD1 ILE 19 3.581 -6.198 -8.822 168 HD12 ILE 19 1HD1 ILE 19 3.852 -7.735 -7.992 169 HD13 ILE 19 2HD1 ILE 19 2.272 -7.373 -8.687 170 H GLY 20 H GLY 20 7.851 -6.695 -10.219 171 HA2 GLY 20 2HA GLY 20 10.340 -7.110 -10.207 172 HA3 GLY 20 1HA GLY 20 9.981 -8.571 -11.117 173 HA PRO 21 HA PRO 21 11.015 -5.215 -14.224 174 HB2 PRO 21 2HB PRO 21 12.478 -6.818 -15.916 175 HB3 PRO 21 1HB PRO 21 13.168 -6.095 -14.451 176 HG2 PRO 21 2HG PRO 21 12.096 -8.874 -14.827 177 HG3 PRO 21 1HG PRO 21 13.621 -8.347 -14.072 178 HD2 PRO 21 2HD PRO 21 11.475 -8.972 -12.569 179 HD3 PRO 21 1HD PRO 21 12.573 -7.657 -12.102 180 H SER 22 H SER 22 9.411 -8.289 -14.460 181 HA SER 22 HA SER 22 8.145 -7.655 -17.051 182 HB2 SER 22 2HB SER 22 7.160 -9.996 -16.700 183 HB3 SER 22 1HB SER 22 8.916 -9.931 -16.866 184 HG SER 22 HG SER 22 7.353 -10.423 -14.587 185 H ALA 23 H ALA 23 7.522 -5.794 -15.284 186 HA ALA 23 HA ALA 23 5.387 -6.291 -13.466 187 HB1 ALA 23 3HB ALA 23 6.500 -3.713 -14.589 188 HB2 ALA 23 1HB ALA 23 6.987 -4.531 -13.101 189 HB3 ALA 23 2HB ALA 23 5.372 -3.838 -13.233 190 H LYS 24 H LYS 24 3.445 -6.908 -14.198 191 HA LYS 24 HA LYS 24 2.388 -6.090 -16.775 192 HB2 LYS 24 2HB LYS 24 1.223 -7.927 -14.652 193 HB3 LYS 24 1HB LYS 24 0.616 -7.738 -16.297 194 HG2 LYS 24 2HG LYS 24 2.713 -8.654 -17.202 195 HG3 LYS 24 1HG LYS 24 3.370 -8.808 -15.570 196 HD2 LYS 24 2HD LYS 24 0.924 -10.261 -16.634 197 HD3 LYS 24 1HD LYS 24 2.529 -10.962 -16.438 198 HE2 LYS 24 2HE LYS 24 2.412 -10.683 -14.028 199 HE3 LYS 24 1HE LYS 24 0.864 -9.845 -14.157 200 HZ1 LYS 24 3HZ LYS 24 -0.104 -11.864 -15.049 201 HZ2 LYS 24 1HZ LYS 24 0.566 -12.129 -13.524 202 HZ3 LYS 24 2HZ LYS 24 1.375 -12.670 -14.907 203 H GLU 25 H GLU 25 2.103 -3.894 -16.358 204 HA GLU 25 HA GLU 25 0.611 -2.723 -14.249 205 HB2 GLU 25 2HB GLU 25 0.550 -0.697 -16.031 206 HB3 GLU 25 1HB GLU 25 1.991 -1.134 -15.150 207 HG2 GLU 25 2HG GLU 25 2.468 -0.646 -17.512 208 HG3 GLU 25 1HG GLU 25 2.911 -2.288 -17.063 209 H ASP 26 H ASP 26 -0.477 -4.369 -17.037 210 HA ASP 26 HA ASP 26 -2.802 -2.909 -17.669 211 HB2 ASP 26 2HB ASP 26 -3.482 -4.828 -19.012 212 HB3 ASP 26 1HB ASP 26 -1.753 -4.564 -19.211 213 H GLU 27 H GLU 27 -2.210 -5.487 -15.330 214 HA GLU 27 HA GLU 27 -5.060 -5.967 -14.887 215 HB2 GLU 27 2HB GLU 27 -4.314 -7.755 -13.349 216 HB3 GLU 27 1HB GLU 27 -3.635 -7.919 -14.966 217 HG2 GLU 27 2HG GLU 27 -1.467 -7.239 -14.254 218 HG3 GLU 27 1HG GLU 27 -2.072 -6.646 -12.706 219 H LEU 28 H LEU 28 -2.378 -4.335 -13.327 220 HA LEU 28 HA LEU 28 -3.760 -4.076 -10.797 221 HB2 LEU 28 2HB LEU 28 -1.284 -4.408 -10.994 222 HB3 LEU 28 1HB LEU 28 -1.147 -2.841 -11.749 223 HG LEU 28 HG LEU 28 -2.326 -3.036 -8.963 224 HD11 LEU 28 1HD1 LEU 28 -0.216 -4.330 -8.872 225 HD12 LEU 28 2HD1 LEU 28 -0.139 -2.844 -7.926 226 HD13 LEU 28 3HD1 LEU 28 0.655 -2.928 -9.501 227 HD21 LEU 28 3HD2 LEU 28 -1.394 -0.790 -8.707 228 HD22 LEU 28 1HD2 LEU 28 -2.421 -0.861 -10.128 229 HD23 LEU 28 2HD2 LEU 28 -0.664 -0.874 -10.309 230 H ASP 29 H ASP 29 -4.704 -2.194 -10.038 231 HA ASP 29 HA ASP 29 -4.828 0.230 -11.703 232 HB2 ASP 29 2HB ASP 29 -6.846 -1.375 -12.142 233 HB3 ASP 29 1HB ASP 29 -7.347 -1.001 -10.497 234 H ASP 30 H ASP 30 -5.908 1.990 -10.469 235 HA ASP 30 HA ASP 30 -4.891 2.412 -7.869 236 HB2 ASP 30 2HB ASP 30 -5.340 4.175 -9.627 237 HB3 ASP 30 1HB ASP 30 -7.064 3.933 -9.387 238 H GLN 31 H GLN 31 -7.846 1.083 -9.065 239 HA GLN 31 HA GLN 31 -9.032 0.937 -6.350 240 HB2 GLN 31 2HB GLN 31 -10.420 1.118 -9.056 241 HB3 GLN 31 1HB GLN 31 -11.246 0.806 -7.532 242 HG2 GLN 31 2HG GLN 31 -10.494 2.984 -6.650 243 HG3 GLN 31 1HG GLN 31 -9.633 3.302 -8.156 244 HE21 GLN 31 1HE2 GLN 31 -10.817 3.850 -10.007 245 HE22 GLN 31 2HE2 GLN 31 -12.472 4.338 -9.929 246 H THR 32 H THR 32 -7.107 -0.935 -7.611 247 HA THR 32 HA THR 32 -8.644 -3.407 -7.977 248 HB THR 32 HB THR 32 -5.668 -2.850 -8.134 249 HG1 THR 32 HG1 THR 32 -7.745 -3.372 -9.931 250 HG21 THR 32 3HG2 THR 32 -5.372 -5.258 -8.795 251 HG22 THR 32 1HG2 THR 32 -7.040 -5.569 -8.304 252 HG23 THR 32 2HG2 THR 32 -5.843 -5.073 -7.105 253 HA PRO 33 HA PRO 33 -8.149 -4.275 -3.519 254 HB2 PRO 33 2HB PRO 33 -9.600 -6.613 -3.498 255 HB3 PRO 33 1HB PRO 33 -10.350 -5.001 -3.503 256 HG2 PRO 33 2HG PRO 33 -9.962 -6.900 -5.772 257 HG3 PRO 33 1HG PRO 33 -11.345 -5.854 -5.401 258 HD2 PRO 33 2HD PRO 33 -9.440 -5.239 -7.282 259 HD3 PRO 33 1HD PRO 33 -10.398 -4.014 -6.426 260 H LEU 34 H LEU 34 -6.127 -4.796 -3.151 261 HA LEU 34 HA LEU 34 -4.454 -6.492 -4.604 262 HB2 LEU 34 2HB LEU 34 -4.034 -5.504 -1.769 263 HB3 LEU 34 1HB LEU 34 -2.790 -5.978 -2.917 264 HG LEU 34 HG LEU 34 -4.613 -3.563 -3.257 265 HD11 LEU 34 1HD1 LEU 34 -2.682 -2.199 -2.679 266 HD12 LEU 34 2HD1 LEU 34 -1.726 -3.647 -2.359 267 HD13 LEU 34 3HD1 LEU 34 -3.123 -3.263 -1.347 268 HD21 LEU 34 3HD2 LEU 34 -2.189 -4.444 -4.878 269 HD22 LEU 34 1HD2 LEU 34 -3.016 -2.889 -5.050 270 HD23 LEU 34 2HD2 LEU 34 -3.864 -4.385 -5.432 271 H LEU 35 H LEU 35 -5.734 -6.985 -1.254 272 HA LEU 35 HA LEU 35 -4.674 -9.563 -0.807 273 HB2 LEU 35 2HB LEU 35 -7.123 -8.198 0.346 274 HB3 LEU 35 1HB LEU 35 -6.731 -9.844 0.797 275 HG LEU 35 HG LEU 35 -6.014 -8.283 2.521 276 HD11 LEU 35 1HD1 LEU 35 -3.598 -9.500 1.144 277 HD12 LEU 35 2HD1 LEU 35 -4.670 -10.307 2.291 278 HD13 LEU 35 3HD1 LEU 35 -3.675 -8.955 2.823 279 HD21 LEU 35 3HD2 LEU 35 -4.260 -6.622 2.192 280 HD22 LEU 35 1HD2 LEU 35 -5.667 -6.281 1.189 281 HD23 LEU 35 2HD2 LEU 35 -4.220 -6.981 0.463 282 H GLU 36 H GLU 36 -7.766 -8.563 -2.205 283 HA GLU 36 HA GLU 36 -8.961 -11.094 -2.547 284 HB2 GLU 36 2HB GLU 36 -10.223 -8.944 -2.636 285 HB3 GLU 36 1HB GLU 36 -9.445 -8.559 -4.170 286 HG2 GLU 36 2HG GLU 36 -10.486 -10.708 -5.081 287 HG3 GLU 36 1HG GLU 36 -11.421 -10.772 -3.586 288 H TRP 37 H TRP 37 -6.764 -9.221 -4.593 289 HA TRP 37 HA TRP 37 -6.999 -11.131 -6.843 290 HB2 TRP 37 2HB TRP 37 -5.577 -8.464 -6.488 291 HB3 TRP 37 1HB TRP 37 -5.243 -9.501 -7.871 292 HD1 TRP 37 HD1 TRP 37 -8.742 -8.623 -6.358 293 HE1 TRP 37 HE1 TRP 37 -10.161 -7.575 -8.220 294 HE3 TRP 37 HE3 TRP 37 -5.253 -8.562 -10.098 295 HZ2 TRP 37 HZ2 TRP 37 -9.856 -6.823 -10.922 296 HZ3 TRP 37 HZ3 TRP 37 -5.900 -7.663 -12.298 297 HH2 TRP 37 HH2 TRP 37 -8.155 -6.813 -12.701 298 H GLY 38 H GLY 38 -5.564 -11.385 -3.999 299 HA2 GLY 38 2HA GLY 38 -4.002 -12.830 -3.195 300 HA3 GLY 38 1HA GLY 38 -3.786 -13.445 -4.823 301 H ILE 39 H ILE 39 -3.294 -10.083 -4.507 302 HA ILE 39 HA ILE 39 -0.576 -10.184 -5.359 303 HB ILE 39 HB ILE 39 -2.303 -7.849 -4.395 304 HG12 ILE 39 2HG1 ILE 39 -1.567 -8.696 -7.238 305 HG13 ILE 39 1HG1 ILE 39 -3.134 -8.950 -6.483 306 HG21 ILE 39 1HG2 ILE 39 0.396 -7.678 -5.784 307 HG22 ILE 39 2HG2 ILE 39 0.069 -7.264 -4.101 308 HG23 ILE 39 3HG2 ILE 39 -0.653 -6.311 -5.397 309 HD11 ILE 39 3HD1 ILE 39 -3.217 -7.098 -8.020 310 HD12 ILE 39 1HD1 ILE 39 -1.893 -6.289 -7.182 311 HD13 ILE 39 2HD1 ILE 39 -3.447 -6.506 -6.375 312 H LEU 40 H LEU 40 -2.247 -9.592 -2.316 313 HA LEU 40 HA LEU 40 0.314 -9.587 -0.810 314 HB2 LEU 40 2HB LEU 40 -2.373 -8.453 0.064 315 HB3 LEU 40 1HB LEU 40 -0.847 -8.313 0.925 316 HG LEU 40 HG LEU 40 -1.536 -6.993 -1.726 317 HD11 LEU 40 1HD1 LEU 40 -1.191 -5.813 1.042 318 HD12 LEU 40 2HD1 LEU 40 -2.678 -5.916 0.086 319 HD13 LEU 40 3HD1 LEU 40 -1.359 -4.883 -0.451 320 HD21 LEU 40 3HD2 LEU 40 0.820 -7.596 -1.719 321 HD22 LEU 40 1HD2 LEU 40 1.046 -6.824 -0.141 322 HD23 LEU 40 2HD2 LEU 40 0.635 -5.853 -1.558 323 H ASN 41 H ASN 41 0.550 -11.028 0.835 324 HA ASN 41 HA ASN 41 -1.728 -12.649 1.765 325 HB2 ASN 41 2HB ASN 41 0.924 -13.740 0.758 326 HB3 ASN 41 1HB ASN 41 -0.068 -14.654 1.886 327 HD21 ASN 41 1HD2 ASN 41 0.133 -13.390 -1.379 328 HD22 ASN 41 2HD2 ASN 41 -1.127 -14.368 -2.039 329 H SER 42 H SER 42 1.774 -11.947 2.370 330 HA SER 42 HA SER 42 1.350 -11.169 5.074 331 HB2 SER 42 3HB SER 42 0.861 -13.431 5.638 332 HB3 SER 42 2HB SER 42 2.141 -14.047 4.585 333 H MET 43 H MET 43 4.059 -13.184 3.818 334 HA MET 43 HA MET 43 6.067 -11.593 4.938 335 HB2 MET 43 2HB MET 43 7.606 -12.832 3.176 336 HB3 MET 43 1HB MET 43 6.837 -13.726 4.471 337 HG2 MET 43 2HG MET 43 6.779 -14.883 2.283 338 HG3 MET 43 1HG MET 43 5.185 -14.624 2.985 339 HE1 MET 43 3HE MET 43 3.296 -13.145 0.142 340 HE2 MET 43 1HE MET 43 3.317 -13.107 1.904 341 HE3 MET 43 2HE MET 43 3.516 -14.641 1.052 342 H ASN 44 H ASN 44 4.367 -11.051 2.011 343 HA ASN 44 HA ASN 44 6.320 -9.145 0.926 344 HB2 ASN 44 2HB ASN 44 4.902 -9.140 -1.060 345 HB3 ASN 44 1HB ASN 44 5.270 -10.792 -0.586 346 HD21 ASN 44 1HD2 ASN 44 3.139 -9.932 -2.261 347 HD22 ASN 44 2HD2 ASN 44 1.660 -10.393 -1.503 348 H ILE 45 H ILE 45 3.334 -9.184 2.718 349 HA ILE 45 HA ILE 45 2.394 -6.550 2.112 350 HB ILE 45 HB ILE 45 1.202 -8.669 3.328 351 HG12 ILE 45 2HG1 ILE 45 0.376 -5.794 3.926 352 HG13 ILE 45 1HG1 ILE 45 0.040 -6.640 2.421 353 HG21 ILE 45 1HG2 ILE 45 1.842 -6.910 5.727 354 HG22 ILE 45 2HG2 ILE 45 2.523 -8.507 5.433 355 HG23 ILE 45 3HG2 ILE 45 0.791 -8.329 5.717 356 HD11 ILE 45 3HD1 ILE 45 -1.336 -8.264 3.662 357 HD12 ILE 45 1HD1 ILE 45 -1.916 -6.604 3.833 358 HD13 ILE 45 2HD1 ILE 45 -1.023 -7.362 5.151 359 H VAL 46 H VAL 46 4.837 -7.813 4.125 360 HA VAL 46 HA VAL 46 5.147 -5.714 6.033 361 HB VAL 46 HB VAL 46 7.170 -7.824 5.159 362 HG11 VAL 46 1HG1 VAL 46 8.184 -6.048 6.521 363 HG12 VAL 46 2HG1 VAL 46 8.104 -7.551 7.438 364 HG13 VAL 46 3HG1 VAL 46 6.941 -6.262 7.759 365 HG21 VAL 46 3HG2 VAL 46 5.047 -8.910 5.795 366 HG22 VAL 46 1HG2 VAL 46 5.028 -8.026 7.321 367 HG23 VAL 46 2HG2 VAL 46 6.284 -9.227 7.012 368 H LYS 47 H LYS 47 6.170 -6.205 2.772 369 HA LYS 47 HA LYS 47 8.377 -4.406 2.654 370 HB2 LYS 47 2HB LYS 47 6.629 -5.708 0.555 371 HB3 LYS 47 1HB LYS 47 7.754 -4.442 0.085 372 HG2 LYS 47 2HG LYS 47 8.762 -6.617 -0.283 373 HG3 LYS 47 1HG LYS 47 9.630 -5.750 0.986 374 HD2 LYS 47 2HD LYS 47 8.330 -7.080 2.689 375 HD3 LYS 47 1HD LYS 47 7.635 -8.005 1.362 376 HE2 LYS 47 2HE LYS 47 9.484 -9.235 2.348 377 HE3 LYS 47 1HE LYS 47 9.926 -8.731 0.716 378 HZ1 LYS 47 3HZ LYS 47 10.735 -7.388 3.232 379 HZ2 LYS 47 1HZ LYS 47 11.158 -6.891 1.673 380 HZ3 LYS 47 2HZ LYS 47 11.716 -8.367 2.264 381 H LEU 48 H LEU 48 4.917 -4.013 2.471 382 HA LEU 48 HA LEU 48 4.934 -1.307 1.486 383 HB2 LEU 48 2HB LEU 48 2.729 -2.915 2.846 384 HB3 LEU 48 1HB LEU 48 2.514 -1.273 2.265 385 HG LEU 48 HG LEU 48 1.545 -2.735 0.626 386 HD11 LEU 48 1HD1 LEU 48 4.213 -1.777 -0.489 387 HD12 LEU 48 2HD1 LEU 48 2.745 -0.809 -0.337 388 HD13 LEU 48 3HD1 LEU 48 2.777 -2.187 -1.433 389 HD21 LEU 48 3HD2 LEU 48 2.647 -4.853 1.188 390 HD22 LEU 48 1HD2 LEU 48 4.158 -4.279 0.476 391 HD23 LEU 48 2HD2 LEU 48 2.740 -4.541 -0.543 392 H MET 49 H MET 49 4.912 -2.839 4.689 393 HA MET 49 HA MET 49 4.292 -0.653 6.355 394 HB2 MET 49 2HB MET 49 6.321 -2.828 7.039 395 HB3 MET 49 1HB MET 49 5.430 -1.833 8.176 396 HG2 MET 49 2HG MET 49 3.370 -2.979 7.632 397 HG3 MET 49 1HG MET 49 4.192 -3.911 6.369 398 HE1 MET 49 3HE MET 49 2.646 -5.610 8.568 399 HE2 MET 49 1HE MET 49 3.879 -6.806 8.962 400 HE3 MET 49 2HE MET 49 3.649 -6.297 7.289 401 H VAL 50 H VAL 50 7.469 -1.900 5.357 402 HA VAL 50 HA VAL 50 9.027 0.149 6.589 403 HB VAL 50 HB VAL 50 9.984 -2.082 6.149 404 HG11 VAL 50 1HG1 VAL 50 8.916 -2.647 4.018 405 HG12 VAL 50 2HG1 VAL 50 10.667 -2.793 3.871 406 HG13 VAL 50 3HG1 VAL 50 9.840 -1.388 3.191 407 HG21 VAL 50 3HG2 VAL 50 11.497 0.094 4.648 408 HG22 VAL 50 1HG2 VAL 50 12.196 -1.412 5.254 409 HG23 VAL 50 2HG2 VAL 50 11.567 -0.213 6.384 410 H TYR 51 H TYR 51 7.643 -0.250 3.369 411 HA TYR 51 HA TYR 51 9.148 1.572 1.861 412 HB2 TYR 51 2HB TYR 51 7.424 -0.056 0.911 413 HB3 TYR 51 1HB TYR 51 6.168 1.024 1.485 414 HD1 TYR 51 HD1 TYR 51 9.144 0.897 -0.777 415 HD2 TYR 51 HD2 TYR 51 5.481 2.917 0.128 416 HE1 TYR 51 HE1 TYR 51 9.351 2.198 -2.845 417 HE2 TYR 51 HE2 TYR 51 5.690 4.211 -1.940 418 HH TYR 51 HH TYR 51 7.507 4.969 -3.459 419 H ILE 52 H ILE 52 6.079 2.014 3.493 420 HA ILE 52 HA ILE 52 5.669 4.746 2.834 421 HB ILE 52 HB ILE 52 4.406 3.022 5.020 422 HG12 ILE 52 2HG1 ILE 52 3.271 3.588 2.242 423 HG13 ILE 52 1HG1 ILE 52 4.293 2.191 2.555 424 HG21 ILE 52 1HG2 ILE 52 3.351 5.563 3.761 425 HG22 ILE 52 2HG2 ILE 52 3.988 5.406 5.394 426 HG23 ILE 52 3HG2 ILE 52 2.510 4.557 4.946 427 HD11 ILE 52 3HD1 ILE 52 2.688 1.351 4.154 428 HD12 ILE 52 1HD1 ILE 52 1.954 1.615 2.573 429 HD13 ILE 52 2HD1 ILE 52 1.652 2.759 3.883 430 H ARG 53 H ARG 53 7.355 3.158 5.452 431 HA ARG 53 HA ARG 53 7.578 5.327 7.268 432 HB2 ARG 53 2HB ARG 53 8.032 3.002 7.904 433 HB3 ARG 53 1HB ARG 53 9.439 2.974 6.843 434 HG2 ARG 53 2HG ARG 53 10.426 4.837 8.253 435 HG3 ARG 53 1HG ARG 53 9.075 4.617 9.368 436 HD2 ARG 53 2HD ARG 53 10.975 3.418 10.214 437 HD3 ARG 53 1HD ARG 53 9.789 2.231 9.666 438 HE ARG 53 HE ARG 53 11.682 2.849 7.616 439 HH11 ARG 53 1HH1 ARG 53 11.382 0.949 10.559 440 HH12 ARG 53 2HH1 ARG 53 12.609 -0.190 10.091 441 HH21 ARG 53 1HH2 ARG 53 13.291 1.367 7.036 442 HH22 ARG 53 2HH2 ARG 53 13.687 0.048 8.097 443 H ASP 54 H ASP 54 9.852 4.216 4.642 444 HA ASP 54 HA ASP 54 11.625 6.490 5.076 445 HB2 ASP 54 2HB ASP 54 12.854 5.618 3.107 446 HB3 ASP 54 1HB ASP 54 12.616 4.390 4.329 447 H GLU 55 H GLU 55 8.936 5.703 3.036 448 HA GLU 55 HA GLU 55 9.224 7.715 1.045 449 HB2 GLU 55 2HB GLU 55 7.906 5.636 0.714 450 HB3 GLU 55 1HB GLU 55 6.785 6.143 1.966 451 HG2 GLU 55 2HG GLU 55 5.765 6.474 -0.174 452 HG3 GLU 55 1HG GLU 55 6.082 8.048 0.546 453 H MET 56 H MET 56 6.671 7.483 3.539 454 HA MET 56 HA MET 56 6.326 10.428 3.459 455 HB2 MET 56 2HB MET 56 4.414 8.119 3.942 456 HB3 MET 56 1HB MET 56 3.988 9.752 4.433 457 HG2 MET 56 2HG MET 56 4.002 10.538 2.198 458 HG3 MET 56 1HG MET 56 4.783 9.076 1.597 459 HE1 MET 56 3HE MET 56 2.031 6.472 1.371 460 HE2 MET 56 1HE MET 56 3.448 6.583 2.415 461 HE3 MET 56 2HE MET 56 3.558 7.051 0.716 462 H GLY 57 H GLY 57 7.808 8.236 5.410 463 HA2 GLY 57 2HA GLY 57 8.661 8.484 7.552 464 HA3 GLY 57 1HA GLY 57 7.704 9.941 7.777 465 H VAL 58 H VAL 58 5.905 7.235 6.694 466 HA VAL 58 HA VAL 58 4.559 7.121 9.333 467 HB VAL 58 HB VAL 58 3.452 6.516 6.547 468 HG11 VAL 58 1HG1 VAL 58 2.273 5.220 8.233 469 HG12 VAL 58 2HG1 VAL 58 1.220 6.486 7.599 470 HG13 VAL 58 3HG1 VAL 58 1.969 6.678 9.186 471 HG21 VAL 58 3HG2 VAL 58 2.970 8.976 8.252 472 HG22 VAL 58 1HG2 VAL 58 2.160 8.601 6.727 473 HG23 VAL 58 2HG2 VAL 58 3.899 8.903 6.752 474 H SER 59 H SER 59 5.116 5.283 10.415 475 HA SER 59 HA SER 59 5.452 2.743 8.964 476 HB2 SER 59 2HB SER 59 6.122 1.869 11.246 477 HB3 SER 59 1HB SER 59 7.150 3.176 10.664 478 HG SER 59 HG SER 59 4.975 3.964 12.196 479 H ILE 60 H ILE 60 3.582 1.659 8.565 480 HA ILE 60 HA ILE 60 1.106 1.989 9.898 481 HB ILE 60 HB ILE 60 2.021 -0.565 8.483 482 HG12 ILE 60 2HG1 ILE 60 2.024 1.792 7.123 483 HG13 ILE 60 1HG1 ILE 60 1.558 0.271 6.377 484 HG21 ILE 60 1HG2 ILE 60 -0.780 0.498 9.063 485 HG22 ILE 60 2HG2 ILE 60 0.005 -0.889 9.820 486 HG23 ILE 60 3HG2 ILE 60 -0.413 -0.946 8.111 487 HD11 ILE 60 3HD1 ILE 60 0.029 2.090 5.800 488 HD12 ILE 60 1HD1 ILE 60 -0.363 2.310 7.504 489 HD13 ILE 60 2HD1 ILE 60 -0.802 0.809 6.691 490 HA PRO 61 HA PRO 61 2.433 -0.253 13.707 491 HB2 PRO 61 2HB PRO 61 0.038 -0.016 15.073 492 HB3 PRO 61 1HB PRO 61 1.212 1.308 14.948 493 HG2 PRO 61 2HG PRO 61 -1.256 0.847 13.314 494 HG3 PRO 61 1HG PRO 61 -0.675 2.348 14.076 495 HD2 PRO 61 2HD PRO 61 -0.287 1.869 11.455 496 HD3 PRO 61 1HD PRO 61 0.936 2.721 12.420 497 H SER 62 H SER 62 1.730 -2.230 14.821 498 HA SER 62 HA SER 62 1.026 -4.271 12.937 499 HB2 SER 62 2HB SER 62 1.296 -5.782 15.005 500 HB3 SER 62 1HB SER 62 2.703 -4.840 14.539 501 HG SER 62 HG SER 62 2.529 -3.661 16.283 502 H THR 63 H THR 63 -0.765 -2.468 15.309 503 HA THR 63 HA THR 63 -3.103 -4.101 15.414 504 HB THR 63 HB THR 63 -2.565 -2.383 17.121 505 HG1 THR 63 HG1 THR 63 -4.625 -2.388 17.493 506 HG21 THR 63 3HG2 THR 63 -3.336 -0.312 15.035 507 HG22 THR 63 1HG2 THR 63 -1.709 -0.566 15.672 508 HG23 THR 63 2HG2 THR 63 -2.996 -0.003 16.738 509 H HIS 64 H HIS 64 -1.827 -1.970 13.010 510 HA HIS 64 HA HIS 64 -4.351 -1.927 11.466 511 HB2 HIS 64 2HB HIS 64 -1.933 -0.103 11.401 512 HB3 HIS 64 1HB HIS 64 -3.061 -0.178 10.050 513 HD1 HIS 64 HD1 HIS 64 -4.360 -0.316 13.598 514 HD2 HIS 64 HD2 HIS 64 -3.994 2.403 10.478 515 HE1 HIS 64 HE1 HIS 64 -5.712 1.686 14.288 516 HE2 HIS 64 HE2 HIS 64 -5.341 3.379 12.450 517 H ILE 65 H ILE 65 -1.797 -3.977 11.722 518 HA ILE 65 HA ILE 65 -1.552 -4.430 8.824 519 HB ILE 65 HB ILE 65 -0.307 -6.162 10.997 520 HG12 ILE 65 2HG1 ILE 65 0.560 -3.850 11.215 521 HG13 ILE 65 1HG1 ILE 65 1.805 -4.938 10.611 522 HG21 ILE 65 1HG2 ILE 65 -0.535 -7.226 8.778 523 HG22 ILE 65 2HG2 ILE 65 1.159 -6.919 9.145 524 HG23 ILE 65 3HG2 ILE 65 0.300 -5.869 8.015 525 HD11 ILE 65 3HD1 ILE 65 0.165 -3.062 8.926 526 HD12 ILE 65 1HD1 ILE 65 1.483 -4.097 8.369 527 HD13 ILE 65 2HD1 ILE 65 1.813 -2.778 9.496 528 H THR 66 H THR 66 -3.639 -4.965 8.386 529 HA THR 66 HA THR 66 -4.076 -7.786 8.453 530 HB THR 66 HB THR 66 -5.333 -7.444 10.436 531 HG1 THR 66 HG1 THR 66 -6.935 -8.490 9.578 532 HG21 THR 66 3HG2 THR 66 -6.955 -5.648 10.817 533 HG22 THR 66 1HG2 THR 66 -6.612 -4.993 9.213 534 HG23 THR 66 2HG2 THR 66 -5.356 -4.981 10.452 535 H GLY 67 H GLY 67 -6.034 -8.295 6.999 536 HA2 GLY 67 2HA GLY 67 -5.567 -7.362 4.430 537 HA3 GLY 67 1HA GLY 67 -7.004 -8.221 4.945 538 H LYS 68 H LYS 68 -8.030 -6.281 6.752 539 HA LYS 68 HA LYS 68 -9.695 -4.895 4.960 540 HB2 LYS 68 2HB LYS 68 -10.740 -3.918 6.949 541 HB3 LYS 68 1HB LYS 68 -10.469 -5.646 7.127 542 HG2 LYS 68 2HG LYS 68 -8.475 -5.196 8.510 543 HG3 LYS 68 1HG LYS 68 -8.760 -3.461 8.361 544 HD2 LYS 68 2HD LYS 68 -10.653 -5.466 9.646 545 HD3 LYS 68 1HD LYS 68 -9.578 -4.376 10.520 546 HE2 LYS 68 2HE LYS 68 -10.802 -2.438 9.540 547 HE3 LYS 68 1HE LYS 68 -11.907 -3.559 8.747 548 HZ1 LYS 68 3HZ LYS 68 -11.522 -3.290 11.681 549 HZ2 LYS 68 1HZ LYS 68 -12.594 -4.356 10.922 550 HZ3 LYS 68 2HZ LYS 68 -12.826 -2.687 10.794 551 H TYR 69 H TYR 69 -6.740 -3.754 6.505 552 HA TYR 69 HA TYR 69 -7.261 -0.950 5.797 553 HB2 TYR 69 2HB TYR 69 -4.886 -2.314 7.125 554 HB3 TYR 69 1HB TYR 69 -4.902 -0.601 6.710 555 HD1 TYR 69 HD2 TYR 69 -6.493 0.967 7.903 556 HD2 TYR 69 HD1 TYR 69 -6.104 -3.116 9.088 557 HE1 TYR 69 HE2 TYR 69 -7.548 1.493 10.049 558 HE2 TYR 69 HE1 TYR 69 -7.173 -2.591 11.238 559 HH TYR 69 HH TYR 69 -8.751 0.393 11.823 560 H PHE 70 H PHE 70 -5.399 -3.694 4.694 561 HA PHE 70 HA PHE 70 -3.944 -2.145 2.680 562 HB2 PHE 70 2HB PHE 70 -3.675 -5.000 3.676 563 HB3 PHE 70 1HB PHE 70 -2.784 -4.415 2.279 564 HD1 PHE 70 HD2 PHE 70 -3.164 -4.055 5.964 565 HD2 PHE 70 HD1 PHE 70 -0.838 -2.976 2.538 566 HE1 PHE 70 HE2 PHE 70 -1.383 -3.214 7.426 567 HE2 PHE 70 HE1 PHE 70 0.937 -2.127 4.017 568 HZ PHE 70 HZ PHE 70 0.670 -2.248 6.462 569 H LYS 71 H LYS 71 -6.962 -3.291 2.684 570 HA LYS 71 HA LYS 71 -7.336 -5.282 0.828 571 HB2 LYS 71 2HB LYS 71 -9.084 -2.886 1.402 572 HB3 LYS 71 1HB LYS 71 -9.575 -4.096 0.218 573 HG2 LYS 71 2HG LYS 71 -9.495 -5.829 1.973 574 HG3 LYS 71 1HG LYS 71 -9.058 -4.594 3.156 575 HD2 LYS 71 2HD LYS 71 -11.652 -4.753 1.577 576 HD3 LYS 71 1HD LYS 71 -11.444 -5.062 3.300 577 HE2 LYS 71 2HE LYS 71 -10.777 -2.691 3.624 578 HE3 LYS 71 1HE LYS 71 -11.058 -2.388 1.910 579 HZ1 LYS 71 3HZ LYS 71 -13.105 -3.315 3.835 580 HZ2 LYS 71 1HZ LYS 71 -13.360 -2.928 2.214 581 HZ3 LYS 71 2HZ LYS 71 -12.913 -1.724 3.308 582 H ASP 72 H ASP 72 -6.767 -1.903 0.113 583 HA ASP 72 HA ASP 72 -6.606 -2.387 -2.780 584 HB2 ASP 72 2HB ASP 72 -9.090 -1.865 -1.896 585 HB3 ASP 72 1HB ASP 72 -8.502 -0.221 -1.747 586 H LEU 73 H LEU 73 -6.059 -0.162 -3.851 587 HA LEU 73 HA LEU 73 -4.057 1.242 -2.369 588 HB2 LEU 73 2HB LEU 73 -3.816 1.122 -4.761 589 HB3 LEU 73 1HB LEU 73 -5.370 1.893 -5.012 590 HG LEU 73 HG LEU 73 -4.529 4.042 -4.236 591 HD11 LEU 73 1HD1 LEU 73 -1.931 2.629 -3.530 592 HD12 LEU 73 2HD1 LEU 73 -3.067 3.355 -2.396 593 HD13 LEU 73 3HD1 LEU 73 -2.170 4.372 -3.516 594 HD21 LEU 73 3HD2 LEU 73 -2.556 2.750 -6.157 595 HD22 LEU 73 1HD2 LEU 73 -2.768 4.490 -5.922 596 HD23 LEU 73 2HD2 LEU 73 -4.084 3.526 -6.583 597 H ASN 74 H ASN 74 -7.466 1.987 -3.256 598 HA ASN 74 HA ASN 74 -7.393 4.583 -2.033 599 HB2 ASN 74 2HB ASN 74 -9.774 4.681 -2.272 600 HB3 ASN 74 1HB ASN 74 -9.112 3.963 -3.722 601 HD21 ASN 74 1HD2 ASN 74 -9.622 1.833 -4.226 602 HD22 ASN 74 2HD2 ASN 74 -10.873 0.968 -3.404 603 H ALA 75 H ALA 75 -7.967 1.361 -0.817 604 HA ALA 75 HA ALA 75 -8.825 2.050 1.805 605 HB1 ALA 75 3HB ALA 75 -9.073 -0.212 0.876 606 HB2 ALA 75 1HB ALA 75 -8.194 -0.246 2.409 607 HB3 ALA 75 2HB ALA 75 -7.320 -0.412 0.885 608 H ILE 76 H ILE 76 -5.551 1.327 0.530 609 HA ILE 76 HA ILE 76 -4.108 1.867 2.940 610 HB ILE 76 HB ILE 76 -3.225 1.612 0.040 611 HG12 ILE 76 2HG1 ILE 76 -2.856 -0.137 2.496 612 HG13 ILE 76 1HG1 ILE 76 -3.975 -0.457 1.176 613 HG21 ILE 76 1HG2 ILE 76 -0.856 1.647 0.737 614 HG22 ILE 76 2HG2 ILE 76 -1.331 2.005 2.399 615 HG23 ILE 76 3HG2 ILE 76 -1.624 3.188 1.123 616 HD11 ILE 76 3HD1 ILE 76 -2.053 -1.884 1.042 617 HD12 ILE 76 1HD1 ILE 76 -0.968 -0.494 1.040 618 HD13 ILE 76 2HD1 ILE 76 -2.060 -0.767 -0.324 619 H SER 77 H SER 77 -5.151 3.969 0.304 620 HA SER 77 HA SER 77 -3.460 6.163 1.008 621 HB2 SER 77 2HB SER 77 -4.931 7.524 -0.448 622 HB3 SER 77 1HB SER 77 -4.458 6.026 -1.234 623 HG SER 77 HG SER 77 -6.869 6.073 0.194 624 H ARG 78 H ARG 78 -6.691 5.111 1.965 625 HA ARG 78 HA ARG 78 -7.173 7.435 3.640 626 HB2 ARG 78 2HB ARG 78 -8.743 4.839 3.444 627 HB3 ARG 78 1HB ARG 78 -9.258 6.284 4.311 628 HG2 ARG 78 2HG ARG 78 -8.900 5.979 1.323 629 HG3 ARG 78 1HG ARG 78 -10.416 6.185 2.191 630 HD2 ARG 78 2HD ARG 78 -9.787 8.477 2.795 631 HD3 ARG 78 1HD ARG 78 -8.204 8.269 2.040 632 HE ARG 78 HE ARG 78 -10.688 8.042 0.471 633 HH11 ARG 78 1HH1 ARG 78 -7.597 9.637 0.965 634 HH12 ARG 78 2HH1 ARG 78 -7.684 10.518 -0.531 635 HH21 ARG 78 1HH2 ARG 78 -10.769 9.179 -1.452 636 HH22 ARG 78 2HH2 ARG 78 -9.482 10.251 -1.895 637 H THR 79 H THR 79 -5.701 4.313 4.020 638 HA THR 79 HA THR 79 -5.785 4.334 6.924 639 HB THR 79 HB THR 79 -4.263 2.542 4.981 640 HG1 THR 79 HG1 THR 79 -6.187 1.673 4.898 641 HG21 THR 79 3HG2 THR 79 -3.835 1.047 6.926 642 HG22 THR 79 1HG2 THR 79 -4.529 2.255 8.009 643 HG23 THR 79 2HG2 THR 79 -3.031 2.604 7.141 644 H VAL 80 H VAL 80 -3.546 5.329 4.406 645 HA VAL 80 HA VAL 80 -1.302 5.593 6.207 646 HB VAL 80 HB VAL 80 -1.006 5.012 3.766 647 HG11 VAL 80 1HG1 VAL 80 -1.004 6.770 2.053 648 HG12 VAL 80 2HG1 VAL 80 -1.637 7.935 3.221 649 HG13 VAL 80 3HG1 VAL 80 -2.615 6.547 2.736 650 HG21 VAL 80 3HG2 VAL 80 0.861 5.816 5.121 651 HG22 VAL 80 1HG2 VAL 80 0.478 7.486 4.702 652 HG23 VAL 80 2HG2 VAL 80 1.022 6.360 3.452 653 H GLU 81 H GLU 81 -3.775 7.714 4.794 654 HA GLU 81 HA GLU 81 -2.653 10.150 5.890 655 HB2 GLU 81 2HB GLU 81 -4.601 11.277 5.034 656 HB3 GLU 81 1HB GLU 81 -4.117 10.091 3.825 657 HG2 GLU 81 2HG GLU 81 -5.890 8.551 4.680 658 HG3 GLU 81 1HG GLU 81 -6.406 9.811 5.794 659 H GLN 82 H GLN 82 -4.961 7.685 6.939 660 HA GLN 82 HA GLN 82 -6.113 9.193 9.062 661 HB2 GLN 82 2HB GLN 82 -7.293 7.306 9.710 662 HB3 GLN 82 1HB GLN 82 -6.978 6.912 8.031 663 HG2 GLN 82 2HG GLN 82 -5.048 5.502 8.803 664 HG3 GLN 82 1HG GLN 82 -5.527 5.823 10.461 665 HE21 GLN 82 1HE2 GLN 82 -7.686 5.175 7.725 666 HE22 GLN 82 2HE2 GLN 82 -8.285 3.676 8.330 667 H LEU 83 H LEU 83 -3.288 7.103 8.776 668 HA LEU 83 HA LEU 83 -2.570 7.031 11.528 669 HB2 LEU 83 2HB LEU 83 -0.959 6.648 8.993 670 HB3 LEU 83 1HB LEU 83 -0.250 6.464 10.594 671 HG LEU 83 HG LEU 83 -2.553 4.802 9.504 672 HD11 LEU 83 1HD1 LEU 83 -0.443 4.291 8.386 673 HD12 LEU 83 2HD1 LEU 83 -0.939 2.970 9.440 674 HD13 LEU 83 3HD1 LEU 83 0.347 4.065 9.949 675 HD21 LEU 83 3HD2 LEU 83 -2.157 3.417 11.555 676 HD22 LEU 83 1HD2 LEU 83 -2.789 5.024 11.903 677 HD23 LEU 83 2HD2 LEU 83 -1.078 4.673 12.158 678 H LYS 84 H LYS 84 -1.743 9.215 8.889 679 HA LYS 84 HA LYS 84 0.025 10.919 10.319 680 HB2 LYS 84 2HB LYS 84 -1.827 11.700 8.027 681 HB3 LYS 84 1HB LYS 84 -0.385 12.570 8.555 682 HG2 LYS 84 2HG LYS 84 1.034 10.719 7.863 683 HG3 LYS 84 1HG LYS 84 -0.387 9.765 7.444 684 HD2 LYS 84 2HD LYS 84 -0.968 11.611 5.757 685 HD3 LYS 84 1HD LYS 84 0.649 12.257 6.056 686 HE2 LYS 84 2HE LYS 84 1.625 10.090 5.337 687 HE3 LYS 84 1HE LYS 84 -0.005 9.484 5.029 688 HZ1 LYS 84 3HZ LYS 84 -0.284 11.126 3.311 689 HZ2 LYS 84 1HZ LYS 84 1.132 10.253 3.003 690 HZ3 LYS 84 2HZ LYS 84 1.219 11.813 3.644 691 H ALA 85 H ALA 85 -3.469 10.825 9.934 692 HA ALA 85 HA ALA 85 -4.043 13.274 11.363 693 HB1 ALA 85 3HB ALA 85 -5.527 12.400 9.596 694 HB2 ALA 85 1HB ALA 85 -6.392 12.605 11.122 695 HB3 ALA 85 2HB ALA 85 -5.898 10.993 10.594 696 H GLU 86 H GLU 86 -3.919 9.860 12.328 697 HA GLU 86 HA GLU 86 -5.218 10.197 14.885 698 HB2 GLU 86 2HB GLU 86 -3.641 7.839 13.745 699 HB3 GLU 86 1HB GLU 86 -4.428 7.817 15.318 700 HG2 GLU 86 2HG GLU 86 -6.626 8.026 14.275 701 HG3 GLU 86 1HG GLU 86 -5.884 8.174 12.682 702 H SER 87 H SER 87 -1.970 10.057 13.602 703 HA SER 87 HA SER 87 -0.702 10.348 16.218 704 HB2 SER 87 2HB SER 87 0.387 8.960 14.470 705 HB3 SER 87 1HB SER 87 0.503 10.368 13.416 706 HG SER 87 HG SER 87 2.451 10.202 14.428 707 H ALA 88 H ALA 88 -2.039 12.446 13.799 708 HA ALA 88 HA ALA 88 -0.312 14.674 13.954 709 HB1 ALA 88 3HB ALA 88 -2.173 16.041 13.086 710 HB2 ALA 88 1HB ALA 88 -3.307 14.727 13.424 711 HB3 ALA 88 2HB ALA 88 -2.036 14.511 12.222 712 H LEU 89 H LEU 89 0.238 15.689 15.729 713 HA LEU 89 HA LEU 89 -1.357 16.219 18.017 714 HB2 LEU 89 2HB LEU 89 0.413 17.639 18.745 715 HB3 LEU 89 1HB LEU 89 1.141 16.243 17.983 716 HG LEU 89 HG LEU 89 0.951 19.030 16.744 717 HD11 LEU 89 1HD1 LEU 89 2.484 18.956 18.649 718 HD12 LEU 89 2HD1 LEU 89 3.380 19.139 17.143 719 HD13 LEU 89 3HD1 LEU 89 3.321 17.568 17.948 720 HD21 LEU 89 3HD2 LEU 89 2.437 16.587 15.704 721 HD22 LEU 89 1HD2 LEU 89 2.491 18.208 15.006 722 HD23 LEU 89 2HD2 LEU 89 0.987 17.291 14.989 723 H GLU 90 H GLU 90 -1.388 17.494 14.892 724 HA GLU 90 HA GLU 90 -2.109 20.186 15.183 725 HB2 GLU 90 2HB GLU 90 -2.849 18.234 12.946 726 HB3 GLU 90 1HB GLU 90 -2.844 19.991 12.817 727 HG2 GLU 90 2HG GLU 90 -0.445 20.084 13.032 728 HG3 GLU 90 1HG GLU 90 -0.361 18.371 13.445 729 H281 4EM 101 2H28 PYA 142 0.474 -12.219 9.006 730 H283 4EM 101 3H28 PYA 142 1.416 -11.190 7.938 731 H303 4EM 101 3H30 PYA 142 0.596 -8.958 10.749 732 H301 4EM 101 1H30 PYA 142 -0.474 -10.195 10.058 733 H302 4EM 101 2H30 PYA 142 0.509 -9.173 9.005 734 H312 4EM 101 2H31 PYA 142 2.941 -9.431 8.908 735 H313 4EM 101 3H31 PYA 142 3.067 -9.236 10.653 736 H311 4EM 101 1H31 PYA 142 3.777 -10.655 9.873 737 H32 4EM 101 H32 PYA 142 1.681 -10.549 12.166 738 H33 4EM 101 H33 PYA 142 0.104 -12.209 12.514 739 H36 4EM 101 H36 PYA 142 1.167 -13.715 11.060 740 H373 4EM 101 3H37 PYA 142 3.815 -14.785 11.505 741 H372 4EM 101 2H37 PYA 142 2.582 -15.256 12.671 742 H382 4EM 101 2H38 PYA 142 2.755 -16.951 10.899 743 H383 4EM 101 3H38 PYA 142 2.490 -15.716 9.675 744 H41 4EM 101 H41 PYA 142 0.455 -14.996 9.252 745 H423 4EM 101 3H42 PYA 142 -1.900 -14.906 10.462 746 H422 4EM 101 2H42 PYA 142 -1.819 -16.629 10.106 747 H433 4EM 101 3H43 PYA 142 -3.102 -15.508 8.372 748 H432 4EM 101 2H43 PYA 142 -1.591 -16.108 7.699 749 H44 4EM 101 H44 PYA 142 -1.151 -14.154 7.088 750 H49 4EM 101 H49 PYA 142 -2.653 -10.358 9.039 751 H51 4EM 101 H51 PYA 142 -1.527 -8.763 7.289 752 H50 4EM 101 H50 PYA 142 -0.321 -10.235 5.515 753 H48 4EM 101 H48 PYA 142 -0.619 -12.675 6.258 Start of MODEL 8 1 H1 MET 1 1H MET 1 3.917 17.424 2.209 2 H2 MET 1 2H MET 1 2.309 17.904 2.030 3 H3 MET 1 3H MET 1 3.425 18.222 0.804 4 HA MET 1 HA MET 1 3.702 15.869 0.395 5 HB2 MET 1 2HB MET 1 3.227 15.072 2.681 6 HB3 MET 1 1HB MET 1 1.560 15.610 2.558 7 HG2 MET 1 2HG MET 1 1.237 13.943 0.709 8 HG3 MET 1 1HG MET 1 2.859 13.341 1.032 9 HE1 MET 1 3HE MET 1 0.145 10.684 2.423 10 HE2 MET 1 1HE MET 1 1.301 10.987 1.127 11 HE3 MET 1 2HE MET 1 -0.230 11.866 1.167 12 H ASP 2 H ASP 2 2.658 15.254 -1.447 13 HA ASP 2 HA ASP 2 0.176 16.563 -2.279 14 HB2 ASP 2 2HB ASP 2 0.589 15.420 -4.437 15 HB3 ASP 2 1HB ASP 2 2.001 16.325 -3.910 16 H GLY 3 H GLY 3 -1.101 14.578 -3.745 17 HA2 GLY 3 2HA GLY 3 -1.856 12.545 -1.706 18 HA3 GLY 3 1HA GLY 3 -3.047 13.436 -2.647 19 H GLU 4 H GLU 4 -1.799 13.318 -5.168 20 HA GLU 4 HA GLU 4 -2.589 10.595 -5.856 21 HB2 GLU 4 2HB GLU 4 -2.225 13.109 -7.471 22 HB3 GLU 4 1HB GLU 4 -2.581 11.555 -8.218 23 HG2 GLU 4 2HG GLU 4 -4.347 12.513 -5.980 24 HG3 GLU 4 1HG GLU 4 -4.525 13.246 -7.570 25 H GLU 5 H GLU 5 0.344 12.598 -6.138 26 HA GLU 5 HA GLU 5 1.723 10.870 -7.969 27 HB2 GLU 5 2HB GLU 5 2.921 12.923 -6.062 28 HB3 GLU 5 1HB GLU 5 3.751 12.183 -7.431 29 HG2 GLU 5 2HG GLU 5 2.246 13.269 -8.991 30 HG3 GLU 5 1HG GLU 5 1.284 13.924 -7.664 31 H VAL 6 H VAL 6 1.584 11.096 -4.436 32 HA VAL 6 HA VAL 6 3.596 9.188 -3.843 33 HB VAL 6 HB VAL 6 2.402 8.857 -1.616 34 HG11 VAL 6 1HG1 VAL 6 2.989 11.736 -2.366 35 HG12 VAL 6 2HG1 VAL 6 4.174 10.535 -1.849 36 HG13 VAL 6 3HG1 VAL 6 2.930 11.081 -0.723 37 HG21 VAL 6 3HG2 VAL 6 0.558 10.356 -1.005 38 HG22 VAL 6 1HG2 VAL 6 0.094 9.301 -2.339 39 HG23 VAL 6 2HG2 VAL 6 0.507 10.988 -2.655 40 H LYS 7 H LYS 7 0.173 8.879 -4.617 41 HA LYS 7 HA LYS 7 -0.083 6.132 -3.892 42 HB2 LYS 7 2HB LYS 7 -1.789 7.877 -5.689 43 HB3 LYS 7 1HB LYS 7 -2.241 6.249 -5.188 44 HG2 LYS 7 2HG LYS 7 -2.268 7.003 -2.816 45 HG3 LYS 7 1HG LYS 7 -1.818 8.622 -3.347 46 HD2 LYS 7 2HD LYS 7 -4.473 7.237 -3.525 47 HD3 LYS 7 1HD LYS 7 -4.099 8.917 -3.147 48 HE2 LYS 7 2HE LYS 7 -5.152 9.119 -5.187 49 HE3 LYS 7 1HE LYS 7 -3.461 9.088 -5.671 50 HZ1 LYS 7 3HZ LYS 7 -4.807 7.703 -7.095 51 HZ2 LYS 7 1HZ LYS 7 -5.353 6.799 -5.778 52 HZ3 LYS 7 2HZ LYS 7 -3.727 6.728 -6.233 53 H GLU 8 H GLU 8 0.177 7.701 -7.132 54 HA GLU 8 HA GLU 8 0.233 5.323 -8.638 55 HB2 GLU 8 2HB GLU 8 1.266 6.655 -10.457 56 HB3 GLU 8 1HB GLU 8 -0.106 7.484 -9.730 57 HG2 GLU 8 2HG GLU 8 1.304 9.007 -8.560 58 HG3 GLU 8 1HG GLU 8 2.747 8.065 -8.919 59 H LYS 9 H LYS 9 2.770 6.924 -6.833 60 HA LYS 9 HA LYS 9 4.980 5.483 -7.816 61 HB2 LYS 9 2HB LYS 9 5.308 7.584 -6.742 62 HB3 LYS 9 1HB LYS 9 4.392 7.075 -5.328 63 HG2 LYS 9 2HG LYS 9 6.132 5.634 -4.600 64 HG3 LYS 9 1HG LYS 9 7.034 5.852 -6.102 65 HD2 LYS 9 2HD LYS 9 7.965 7.197 -4.199 66 HD3 LYS 9 1HD LYS 9 7.470 8.183 -5.579 67 HE2 LYS 9 2HE LYS 9 5.284 8.608 -4.350 68 HE3 LYS 9 1HE LYS 9 6.010 7.823 -2.947 69 HZ1 LYS 9 3HZ LYS 9 7.022 10.255 -4.311 70 HZ2 LYS 9 1HZ LYS 9 7.766 9.499 -2.994 71 HZ3 LYS 9 2HZ LYS 9 6.237 10.201 -2.819 72 H ILE 10 H ILE 10 2.771 5.016 -5.059 73 HA ILE 10 HA ILE 10 3.936 2.689 -3.983 74 HB ILE 10 HB ILE 10 0.944 3.288 -4.086 75 HG12 ILE 10 2HG1 ILE 10 2.053 5.195 -3.061 76 HG13 ILE 10 1HG1 ILE 10 1.189 4.297 -1.828 77 HG21 ILE 10 1HG2 ILE 10 1.364 0.979 -3.438 78 HG22 ILE 10 2HG2 ILE 10 0.787 1.886 -2.039 79 HG23 ILE 10 3HG2 ILE 10 2.503 1.496 -2.192 80 HD11 ILE 10 3HD1 ILE 10 3.320 5.047 -0.990 81 HD12 ILE 10 1HD1 ILE 10 4.161 4.258 -2.321 82 HD13 ILE 10 2HD1 ILE 10 3.323 3.288 -1.105 83 H ARG 11 H ARG 11 1.607 3.233 -6.560 84 HA ARG 11 HA ARG 11 0.863 0.598 -7.164 85 HB2 ARG 11 2HB ARG 11 0.856 3.137 -8.815 86 HB3 ARG 11 1HB ARG 11 0.237 1.620 -9.440 87 HG2 ARG 11 2HG ARG 11 -0.824 3.007 -6.959 88 HG3 ARG 11 1HG ARG 11 -1.534 3.139 -8.565 89 HD2 ARG 11 2HD ARG 11 -2.825 1.543 -7.415 90 HD3 ARG 11 1HD ARG 11 -1.799 0.593 -8.487 91 HE ARG 11 HE ARG 11 -0.486 0.810 -6.033 92 HH11 ARG 11 1HH1 ARG 11 -3.487 -0.629 -7.187 93 HH12 ARG 11 2HH1 ARG 11 -3.483 -1.869 -5.980 94 HH21 ARG 11 1HH2 ARG 11 -0.506 -0.791 -4.483 95 HH22 ARG 11 2HH2 ARG 11 -1.786 -1.947 -4.450 96 H ARG 12 H ARG 12 3.415 2.615 -8.627 97 HA ARG 12 HA ARG 12 4.361 0.678 -10.479 98 HB2 ARG 12 2HB ARG 12 5.446 3.250 -9.354 99 HB3 ARG 12 1HB ARG 12 6.595 2.168 -10.120 100 HG2 ARG 12 2HG ARG 12 5.781 3.881 -11.687 101 HG3 ARG 12 1HG ARG 12 5.366 2.251 -12.216 102 HD2 ARG 12 2HD ARG 12 3.074 2.540 -11.590 103 HD3 ARG 12 1HD ARG 12 3.421 4.043 -10.740 104 HE ARG 12 HE ARG 12 3.360 3.651 -13.655 105 HH11 ARG 12 1HH1 ARG 12 3.450 5.857 -10.921 106 HH12 ARG 12 2HH1 ARG 12 3.138 7.260 -11.894 107 HH21 ARG 12 1HH2 ARG 12 2.984 5.480 -14.909 108 HH22 ARG 12 2HH2 ARG 12 2.871 7.040 -14.156 109 H TYR 13 H TYR 13 5.311 1.502 -7.182 110 HA TYR 13 HA TYR 13 7.476 -0.248 -6.835 111 HB2 TYR 13 2HB TYR 13 7.001 1.544 -5.245 112 HB3 TYR 13 1HB TYR 13 5.465 0.811 -4.814 113 HD1 TYR 13 HD1 TYR 13 9.134 -0.051 -4.853 114 HD2 TYR 13 HD2 TYR 13 5.399 -0.464 -2.816 115 HE1 TYR 13 HE1 TYR 13 10.256 -1.250 -3.030 116 HE2 TYR 13 HE2 TYR 13 6.528 -1.664 -0.995 117 HH TYR 13 HH TYR 13 9.871 -1.711 -0.622 118 H ILE 14 H ILE 14 4.011 -0.820 -6.504 119 HA ILE 14 HA ILE 14 4.131 -3.438 -5.431 120 HB ILE 14 HB ILE 14 1.944 -2.040 -7.025 121 HG12 ILE 14 2HG1 ILE 14 2.401 -1.053 -4.798 122 HG13 ILE 14 1HG1 ILE 14 0.811 -1.800 -4.841 123 HG21 ILE 14 1HG2 ILE 14 0.389 -3.818 -6.235 124 HG22 ILE 14 2HG2 ILE 14 1.772 -4.721 -5.607 125 HG23 ILE 14 3HG2 ILE 14 1.615 -4.430 -7.341 126 HD11 ILE 14 3HD1 ILE 14 3.296 -2.961 -3.584 127 HD12 ILE 14 1HD1 ILE 14 1.718 -3.752 -3.642 128 HD13 ILE 14 2HD1 ILE 14 1.922 -2.250 -2.743 129 H MET 15 H MET 15 3.738 -2.292 -8.814 130 HA MET 15 HA MET 15 3.668 -4.826 -10.068 131 HB2 MET 15 2HB MET 15 4.752 -2.172 -11.146 132 HB3 MET 15 1HB MET 15 4.402 -3.576 -12.142 133 HG2 MET 15 2HG MET 15 2.156 -2.528 -10.496 134 HG3 MET 15 1HG MET 15 2.701 -1.523 -11.830 135 HE1 MET 15 3HE MET 15 0.794 -5.716 -12.325 136 HE2 MET 15 1HE MET 15 0.997 -4.889 -10.781 137 HE3 MET 15 2HE MET 15 2.402 -5.581 -11.605 138 H GLU 16 H GLU 16 6.449 -2.652 -9.523 139 HA GLU 16 HA GLU 16 8.269 -4.220 -11.058 140 HB2 GLU 16 2HB GLU 16 8.829 -1.901 -9.148 141 HB3 GLU 16 1HB GLU 16 9.968 -2.562 -10.320 142 HG2 GLU 16 2HG GLU 16 8.549 -1.879 -12.160 143 HG3 GLU 16 1HG GLU 16 7.314 -1.301 -11.046 144 H ASP 17 H ASP 17 7.920 -3.648 -7.548 145 HA ASP 17 HA ASP 17 10.128 -5.487 -6.957 146 HB2 ASP 17 2HB ASP 17 8.454 -3.735 -5.115 147 HB3 ASP 17 1HB ASP 17 9.826 -4.715 -4.605 148 H LEU 18 H LEU 18 6.653 -5.140 -6.113 149 HA LEU 18 HA LEU 18 6.631 -7.543 -4.543 150 HB2 LEU 18 2HB LEU 18 4.406 -5.712 -5.459 151 HB3 LEU 18 1HB LEU 18 4.076 -7.173 -4.555 152 HG LEU 18 HG LEU 18 4.062 -5.327 -3.009 153 HD11 LEU 18 1HD1 LEU 18 6.646 -6.869 -2.634 154 HD12 LEU 18 2HD1 LEU 18 5.031 -7.417 -2.176 155 HD13 LEU 18 3HD1 LEU 18 5.738 -6.014 -1.384 156 HD21 LEU 18 3HD2 LEU 18 6.868 -4.575 -3.908 157 HD22 LEU 18 1HD2 LEU 18 5.960 -3.828 -2.589 158 HD23 LEU 18 2HD2 LEU 18 5.396 -3.667 -4.249 159 H ILE 19 H ILE 19 5.144 -6.801 -7.735 160 HA ILE 19 HA ILE 19 4.450 -9.551 -8.245 161 HB ILE 19 HB ILE 19 4.538 -7.131 -10.099 162 HG12 ILE 19 2HG1 ILE 19 2.065 -7.491 -10.262 163 HG13 ILE 19 1HG1 ILE 19 2.202 -8.821 -9.142 164 HG21 ILE 19 1HG2 ILE 19 5.158 -9.066 -11.466 165 HG22 ILE 19 2HG2 ILE 19 3.536 -8.512 -11.889 166 HG23 ILE 19 3HG2 ILE 19 3.743 -9.952 -10.885 167 HD11 ILE 19 3HD1 ILE 19 1.312 -6.835 -8.112 168 HD12 ILE 19 1HD1 ILE 19 2.784 -5.955 -8.519 169 HD13 ILE 19 2HD1 ILE 19 2.846 -7.305 -7.380 170 H GLY 20 H GLY 20 7.201 -7.469 -8.976 171 HA2 GLY 20 2HA GLY 20 9.425 -8.201 -9.148 172 HA3 GLY 20 1HA GLY 20 8.862 -9.814 -9.549 173 HA PRO 21 HA PRO 21 10.422 -7.966 -13.535 174 HB2 PRO 21 2HB PRO 21 11.376 -10.358 -14.550 175 HB3 PRO 21 1HB PRO 21 12.307 -9.319 -13.457 176 HG2 PRO 21 2HG PRO 21 10.748 -11.792 -12.816 177 HG3 PRO 21 1HG PRO 21 12.347 -11.276 -12.237 178 HD2 PRO 21 2HD PRO 21 10.103 -10.978 -10.736 179 HD3 PRO 21 1HD PRO 21 11.467 -9.841 -10.643 180 H SER 22 H SER 22 8.045 -10.272 -12.719 181 HA SER 22 HA SER 22 6.962 -10.640 -15.401 182 HB2 SER 22 2HB SER 22 5.188 -11.931 -14.118 183 HB3 SER 22 1HB SER 22 6.832 -12.524 -13.873 184 HG SER 22 HG SER 22 6.154 -12.356 -11.849 185 H ALA 23 H ALA 23 7.133 -7.918 -13.984 186 HA ALA 23 HA ALA 23 4.654 -7.064 -13.012 187 HB1 ALA 23 3HB ALA 23 6.747 -5.901 -12.556 188 HB2 ALA 23 1HB ALA 23 5.528 -4.805 -13.216 189 HB3 ALA 23 2HB ALA 23 6.848 -5.385 -14.243 190 H LYS 24 H LYS 24 2.980 -7.595 -14.350 191 HA LYS 24 HA LYS 24 2.775 -6.435 -17.022 192 HB2 LYS 24 2HB LYS 24 0.913 -8.283 -15.483 193 HB3 LYS 24 1HB LYS 24 0.582 -7.661 -17.100 194 HG2 LYS 24 2HG LYS 24 2.684 -8.809 -17.884 195 HG3 LYS 24 1HG LYS 24 2.816 -9.544 -16.282 196 HD2 LYS 24 2HD LYS 24 0.518 -9.881 -18.240 197 HD3 LYS 24 1HD LYS 24 1.746 -11.088 -17.860 198 HE2 LYS 24 2HE LYS 24 0.886 -11.432 -15.675 199 HE3 LYS 24 1HE LYS 24 -0.091 -9.964 -15.728 200 HZ1 LYS 24 3HZ LYS 24 -1.453 -11.000 -17.451 201 HZ2 LYS 24 1HZ LYS 24 -1.454 -11.899 -16.021 202 HZ3 LYS 24 2HZ LYS 24 -0.537 -12.417 -17.339 203 H GLU 25 H GLU 25 2.439 -4.383 -16.825 204 HA GLU 25 HA GLU 25 1.176 -2.808 -14.941 205 HB2 GLU 25 2HB GLU 25 1.130 -1.109 -16.797 206 HB3 GLU 25 1HB GLU 25 2.671 -1.921 -16.602 207 HG2 GLU 25 2HG GLU 25 1.930 -3.510 -18.467 208 HG3 GLU 25 1HG GLU 25 0.617 -2.366 -18.763 209 H ASP 26 H ASP 26 -0.374 -4.903 -17.187 210 HA ASP 26 HA ASP 26 -2.730 -3.511 -17.793 211 HB2 ASP 26 2HB ASP 26 -2.594 -6.540 -17.482 212 HB3 ASP 26 1HB ASP 26 -3.667 -5.614 -18.525 213 H GLU 27 H GLU 27 -1.714 -5.314 -15.013 214 HA GLU 27 HA GLU 27 -4.329 -5.757 -13.839 215 HB2 GLU 27 2HB GLU 27 -1.595 -6.054 -12.529 216 HB3 GLU 27 1HB GLU 27 -3.100 -6.809 -12.018 217 HG2 GLU 27 2HG GLU 27 -1.468 -7.424 -14.490 218 HG3 GLU 27 1HG GLU 27 -1.739 -8.470 -13.096 219 H LEU 28 H LEU 28 -2.229 -3.148 -13.956 220 HA LEU 28 HA LEU 28 -2.337 -2.308 -11.222 221 HB2 LEU 28 2HB LEU 28 -0.375 -2.159 -12.833 222 HB3 LEU 28 1HB LEU 28 -1.191 -0.823 -13.609 223 HG LEU 28 HG LEU 28 0.672 -0.262 -11.923 224 HD11 LEU 28 1HD1 LEU 28 -0.421 1.735 -11.051 225 HD12 LEU 28 2HD1 LEU 28 -2.009 1.061 -11.415 226 HD13 LEU 28 3HD1 LEU 28 -0.900 1.469 -12.724 227 HD21 LEU 28 3HD2 LEU 28 0.009 -1.919 -10.193 228 HD22 LEU 28 1HD2 LEU 28 -1.459 -0.981 -9.874 229 HD23 LEU 28 2HD2 LEU 28 0.126 -0.289 -9.547 230 H ASP 29 H ASP 29 -4.025 -1.295 -10.377 231 HA ASP 29 HA ASP 29 -4.573 1.382 -11.326 232 HB2 ASP 29 2HB ASP 29 -6.497 -0.043 -12.278 233 HB3 ASP 29 1HB ASP 29 -6.898 -0.428 -10.608 234 H ASP 30 H ASP 30 -5.686 2.626 -9.584 235 HA ASP 30 HA ASP 30 -4.314 2.177 -7.150 236 HB2 ASP 30 2HB ASP 30 -6.478 4.192 -7.854 237 HB3 ASP 30 1HB ASP 30 -5.635 4.181 -6.307 238 H GLN 31 H GLN 31 -7.683 1.783 -8.092 239 HA GLN 31 HA GLN 31 -8.387 0.762 -5.428 240 HB2 GLN 31 2HB GLN 31 -10.117 1.338 -7.865 241 HB3 GLN 31 1HB GLN 31 -10.737 0.769 -6.314 242 HG2 GLN 31 2HG GLN 31 -9.909 2.826 -5.225 243 HG3 GLN 31 1HG GLN 31 -9.257 3.379 -6.768 244 HE21 GLN 31 1HE2 GLN 31 -12.189 2.840 -4.924 245 HE22 GLN 31 2HE2 GLN 31 -13.223 3.767 -5.953 246 H THR 32 H THR 32 -6.896 -0.641 -7.998 247 HA THR 32 HA THR 32 -8.238 -3.103 -8.299 248 HB THR 32 HB THR 32 -5.256 -2.551 -8.456 249 HG1 THR 32 HG1 THR 32 -6.927 -3.189 -10.622 250 HG21 THR 32 3HG2 THR 32 -5.591 -4.955 -7.952 251 HG22 THR 32 1HG2 THR 32 -5.085 -4.755 -9.635 252 HG23 THR 32 2HG2 THR 32 -6.782 -5.076 -9.249 253 HA PRO 33 HA PRO 33 -7.772 -4.336 -3.968 254 HB2 PRO 33 2HB PRO 33 -9.264 -6.627 -4.085 255 HB3 PRO 33 1HB PRO 33 -9.985 -5.005 -4.107 256 HG2 PRO 33 2HG PRO 33 -9.462 -6.848 -6.399 257 HG3 PRO 33 1HG PRO 33 -10.891 -5.855 -6.056 258 HD2 PRO 33 2HD PRO 33 -8.962 -5.103 -7.829 259 HD3 PRO 33 1HD PRO 33 -9.934 -3.934 -6.906 260 H LEU 34 H LEU 34 -5.768 -4.935 -3.501 261 HA LEU 34 HA LEU 34 -4.156 -6.680 -5.038 262 HB2 LEU 34 2HB LEU 34 -3.707 -5.646 -2.224 263 HB3 LEU 34 1HB LEU 34 -2.481 -6.330 -3.282 264 HG LEU 34 HG LEU 34 -3.960 -3.718 -3.776 265 HD11 LEU 34 1HD1 LEU 34 -1.115 -4.196 -2.839 266 HD12 LEU 34 2HD1 LEU 34 -2.439 -3.539 -1.870 267 HD13 LEU 34 3HD1 LEU 34 -1.825 -2.631 -3.248 268 HD21 LEU 34 3HD2 LEU 34 -1.667 -4.982 -5.324 269 HD22 LEU 34 1HD2 LEU 34 -2.308 -3.355 -5.586 270 HD23 LEU 34 2HD2 LEU 34 -3.322 -4.761 -5.899 271 H LEU 35 H LEU 35 -5.457 -7.019 -1.709 272 HA LEU 35 HA LEU 35 -4.570 -9.613 -1.128 273 HB2 LEU 35 2HB LEU 35 -7.052 -8.130 -0.212 274 HB3 LEU 35 1HB LEU 35 -6.589 -9.690 0.452 275 HG LEU 35 HG LEU 35 -4.850 -7.195 0.633 276 HD11 LEU 35 1HD1 LEU 35 -6.662 -8.426 2.723 277 HD12 LEU 35 2HD1 LEU 35 -6.944 -6.903 1.878 278 HD13 LEU 35 3HD1 LEU 35 -5.566 -7.060 2.961 279 HD21 LEU 35 3HD2 LEU 35 -3.575 -9.315 0.776 280 HD22 LEU 35 1HD2 LEU 35 -4.643 -9.868 2.068 281 HD23 LEU 35 2HD2 LEU 35 -3.597 -8.468 2.322 282 H GLU 36 H GLU 36 -7.580 -8.558 -2.622 283 HA GLU 36 HA GLU 36 -8.881 -11.052 -2.801 284 HB2 GLU 36 2HB GLU 36 -10.024 -8.840 -2.909 285 HB3 GLU 36 1HB GLU 36 -9.278 -8.544 -4.475 286 HG2 GLU 36 2HG GLU 36 -10.492 -10.675 -5.262 287 HG3 GLU 36 1HG GLU 36 -11.409 -10.559 -3.759 288 H TRP 37 H TRP 37 -6.567 -9.423 -4.908 289 HA TRP 37 HA TRP 37 -7.019 -11.355 -7.103 290 HB2 TRP 37 2HB TRP 37 -5.337 -8.830 -6.910 291 HB3 TRP 37 1HB TRP 37 -5.214 -9.933 -8.275 292 HD1 TRP 37 HD1 TRP 37 -8.670 -9.078 -6.775 293 HE1 TRP 37 HE1 TRP 37 -10.004 -7.723 -8.502 294 HE3 TRP 37 HE3 TRP 37 -4.999 -8.388 -10.285 295 HZ2 TRP 37 HZ2 TRP 37 -9.576 -6.530 -11.017 296 HZ3 TRP 37 HZ3 TRP 37 -5.550 -7.127 -12.329 297 HH2 TRP 37 HH2 TRP 37 -7.795 -6.218 -12.686 298 H GLY 38 H GLY 38 -5.307 -11.354 -4.280 299 HA2 GLY 38 2HA GLY 38 -3.708 -12.803 -3.476 300 HA3 GLY 38 1HA GLY 38 -3.653 -13.585 -5.048 301 H ILE 39 H ILE 39 -3.161 -10.176 -4.855 302 HA ILE 39 HA ILE 39 -0.469 -10.268 -5.863 303 HB ILE 39 HB ILE 39 -2.181 -7.904 -4.946 304 HG12 ILE 39 2HG1 ILE 39 -1.662 -8.968 -7.765 305 HG13 ILE 39 1HG1 ILE 39 -3.176 -9.110 -6.883 306 HG21 ILE 39 1HG2 ILE 39 0.199 -7.321 -4.853 307 HG22 ILE 39 2HG2 ILE 39 -0.593 -6.457 -6.170 308 HG23 ILE 39 3HG2 ILE 39 0.414 -7.861 -6.521 309 HD11 ILE 39 3HD1 ILE 39 -1.919 -6.561 -7.895 310 HD12 ILE 39 1HD1 ILE 39 -3.418 -6.658 -6.963 311 HD13 ILE 39 2HD1 ILE 39 -3.323 -7.391 -8.563 312 H LEU 40 H LEU 40 -2.099 -9.569 -2.826 313 HA LEU 40 HA LEU 40 0.469 -9.567 -1.357 314 HB2 LEU 40 2HB LEU 40 -2.283 -8.799 -0.329 315 HB3 LEU 40 1HB LEU 40 -0.749 -8.607 0.518 316 HG LEU 40 HG LEU 40 -1.645 -7.100 -1.952 317 HD11 LEU 40 1HD1 LEU 40 -1.285 -6.170 0.902 318 HD12 LEU 40 2HD1 LEU 40 -2.811 -6.372 0.027 319 HD13 LEU 40 3HD1 LEU 40 -1.661 -5.139 -0.483 320 HD21 LEU 40 3HD2 LEU 40 0.747 -7.458 -2.079 321 HD22 LEU 40 1HD2 LEU 40 0.961 -6.853 -0.430 322 HD23 LEU 40 2HD2 LEU 40 0.405 -5.770 -1.710 323 H ASN 41 H ASN 41 0.810 -11.068 0.196 324 HA ASN 41 HA ASN 41 -1.215 -13.127 0.791 325 HB2 ASN 41 2HB ASN 41 1.692 -13.679 -0.003 326 HB3 ASN 41 1HB ASN 41 0.602 -14.893 0.660 327 HD21 ASN 41 1HD2 ASN 41 -1.048 -15.739 -0.659 328 HD22 ASN 41 2HD2 ASN 41 -1.102 -15.460 -2.362 329 H SER 42 H SER 42 2.204 -12.392 1.670 330 HA SER 42 HA SER 42 1.506 -11.647 4.370 331 HB2 SER 42 3HB SER 42 1.323 -14.077 4.601 332 HB3 SER 42 2HB SER 42 2.916 -14.301 3.869 333 H MET 43 H MET 43 4.421 -13.093 2.804 334 HA MET 43 HA MET 43 6.122 -11.258 4.249 335 HB2 MET 43 2HB MET 43 6.791 -13.330 2.140 336 HB3 MET 43 1HB MET 43 7.981 -12.464 3.108 337 HG2 MET 43 2HG MET 43 5.845 -14.293 4.256 338 HG3 MET 43 1HG MET 43 7.501 -14.779 3.923 339 HE1 MET 43 3HE MET 43 5.070 -13.117 6.507 340 HE2 MET 43 1HE MET 43 5.751 -11.618 5.879 341 HE3 MET 43 2HE MET 43 6.146 -12.152 7.515 342 H ASN 44 H ASN 44 4.682 -11.236 1.178 343 HA ASN 44 HA ASN 44 6.264 -9.099 0.053 344 HB2 ASN 44 2HB ASN 44 4.407 -9.051 -1.665 345 HB3 ASN 44 1HB ASN 44 5.230 -10.595 -1.502 346 HD21 ASN 44 1HD2 ASN 44 2.777 -10.417 -2.751 347 HD22 ASN 44 2HD2 ASN 44 1.584 -11.226 -1.801 348 H ILE 45 H ILE 45 3.467 -9.325 2.151 349 HA ILE 45 HA ILE 45 2.450 -6.684 1.756 350 HB ILE 45 HB ILE 45 1.569 -8.966 3.119 351 HG12 ILE 45 2HG1 ILE 45 0.360 -6.183 3.386 352 HG13 ILE 45 1HG1 ILE 45 0.143 -7.242 1.997 353 HG21 ILE 45 1HG2 ILE 45 1.986 -6.869 5.275 354 HG22 ILE 45 2HG2 ILE 45 2.858 -8.398 5.153 355 HG23 ILE 45 3HG2 ILE 45 1.117 -8.396 5.449 356 HD11 ILE 45 3HD1 ILE 45 -0.995 -8.875 3.441 357 HD12 ILE 45 1HD1 ILE 45 -1.794 -7.300 3.446 358 HD13 ILE 45 2HD1 ILE 45 -0.789 -7.784 4.816 359 H VAL 46 H VAL 46 5.127 -7.924 3.497 360 HA VAL 46 HA VAL 46 5.391 -6.040 5.601 361 HB VAL 46 HB VAL 46 7.572 -7.744 4.319 362 HG11 VAL 46 1HG1 VAL 46 7.405 -6.536 7.101 363 HG12 VAL 46 2HG1 VAL 46 8.474 -5.998 5.802 364 HG13 VAL 46 3HG1 VAL 46 8.691 -7.594 6.522 365 HG21 VAL 46 3HG2 VAL 46 7.062 -9.433 6.056 366 HG22 VAL 46 1HG2 VAL 46 5.672 -9.155 5.003 367 HG23 VAL 46 2HG2 VAL 46 5.708 -8.448 6.621 368 H LYS 47 H LYS 47 6.254 -5.971 2.251 369 HA LYS 47 HA LYS 47 8.342 -4.049 2.247 370 HB2 LYS 47 2HB LYS 47 6.386 -4.925 0.094 371 HB3 LYS 47 1HB LYS 47 7.591 -3.680 -0.202 372 HG2 LYS 47 2HG LYS 47 8.368 -5.801 -1.060 373 HG3 LYS 47 1HG LYS 47 9.394 -5.282 0.279 374 HD2 LYS 47 2HD LYS 47 8.388 -6.891 1.773 375 HD3 LYS 47 1HD LYS 47 7.126 -7.278 0.600 376 HE2 LYS 47 2HE LYS 47 8.805 -9.051 0.661 377 HE3 LYS 47 1HE LYS 47 8.837 -8.243 -0.906 378 HZ1 LYS 47 3HZ LYS 47 10.746 -6.964 -0.119 379 HZ2 LYS 47 1HZ LYS 47 11.038 -8.626 -0.122 380 HZ3 LYS 47 2HZ LYS 47 10.729 -7.825 1.335 381 H LEU 48 H LEU 48 4.851 -3.803 2.200 382 HA LEU 48 HA LEU 48 4.601 -1.043 1.586 383 HB2 LEU 48 2HB LEU 48 2.710 -2.992 2.949 384 HB3 LEU 48 1HB LEU 48 2.275 -1.317 2.659 385 HG LEU 48 HG LEU 48 1.271 -2.676 0.933 386 HD11 LEU 48 1HD1 LEU 48 2.065 -0.444 0.226 387 HD12 LEU 48 2HD1 LEU 48 2.117 -1.593 -1.105 388 HD13 LEU 48 3HD1 LEU 48 3.609 -1.143 -0.281 389 HD21 LEU 48 3HD2 LEU 48 2.543 -4.053 -0.665 390 HD22 LEU 48 1HD2 LEU 48 2.739 -4.651 0.981 391 HD23 LEU 48 2HD2 LEU 48 4.035 -3.728 0.219 392 H MET 49 H MET 49 4.852 -2.830 4.625 393 HA MET 49 HA MET 49 4.048 -0.903 6.480 394 HB2 MET 49 2HB MET 49 6.248 -2.957 6.978 395 HB3 MET 49 1HB MET 49 5.222 -2.193 8.184 396 HG2 MET 49 2HG MET 49 3.278 -3.412 7.325 397 HG3 MET 49 1HG MET 49 4.290 -4.160 6.081 398 HE1 MET 49 3HE MET 49 2.698 -6.222 7.893 399 HE2 MET 49 1HE MET 49 3.999 -7.326 8.334 400 HE3 MET 49 2HE MET 49 3.914 -6.670 6.698 401 H VAL 50 H VAL 50 7.329 -1.635 5.325 402 HA VAL 50 HA VAL 50 8.610 0.465 6.825 403 HB VAL 50 HB VAL 50 9.845 -1.594 6.329 404 HG11 VAL 50 1HG1 VAL 50 9.694 -0.833 3.391 405 HG12 VAL 50 2HG1 VAL 50 8.866 -2.192 4.157 406 HG13 VAL 50 3HG1 VAL 50 10.628 -2.171 4.058 407 HG21 VAL 50 3HG2 VAL 50 11.133 0.763 4.909 408 HG22 VAL 50 1HG2 VAL 50 11.981 -0.658 5.517 409 HG23 VAL 50 2HG2 VAL 50 11.191 0.449 6.644 410 H TYR 51 H TYR 51 7.332 0.136 3.572 411 HA TYR 51 HA TYR 51 8.864 2.124 2.256 412 HB2 TYR 51 2HB TYR 51 7.364 0.304 1.191 413 HB3 TYR 51 1HB TYR 51 6.015 1.375 1.491 414 HD1 TYR 51 HD1 TYR 51 9.312 1.203 -0.284 415 HD2 TYR 51 HD2 TYR 51 5.514 3.136 -0.047 416 HE1 TYR 51 HE1 TYR 51 9.776 2.374 -2.388 417 HE2 TYR 51 HE2 TYR 51 5.981 4.305 -2.148 418 HH TYR 51 HH TYR 51 8.487 3.467 -4.233 419 H ILE 52 H ILE 52 5.885 2.223 4.025 420 HA ILE 52 HA ILE 52 5.128 4.910 3.323 421 HB ILE 52 HB ILE 52 4.045 2.985 5.425 422 HG12 ILE 52 2HG1 ILE 52 2.844 3.650 2.703 423 HG13 ILE 52 1HG1 ILE 52 3.993 2.335 2.904 424 HG21 ILE 52 1HG2 ILE 52 2.782 5.529 4.357 425 HG22 ILE 52 2HG2 ILE 52 3.436 5.310 5.978 426 HG23 ILE 52 3HG2 ILE 52 2.022 4.386 5.473 427 HD11 ILE 52 3HD1 ILE 52 1.734 1.538 2.862 428 HD12 ILE 52 1HD1 ILE 52 1.311 2.549 4.246 429 HD13 ILE 52 2HD1 ILE 52 2.479 1.229 4.429 430 H ARG 53 H ARG 53 6.781 3.332 6.010 431 HA ARG 53 HA ARG 53 7.080 5.634 7.683 432 HB2 ARG 53 2HB ARG 53 7.361 3.330 8.559 433 HB3 ARG 53 1HB ARG 53 8.761 3.098 7.523 434 HG2 ARG 53 2HG ARG 53 9.401 3.546 9.873 435 HG3 ARG 53 1HG ARG 53 10.033 4.756 8.760 436 HD2 ARG 53 2HD ARG 53 8.154 6.280 9.413 437 HD3 ARG 53 1HD ARG 53 7.634 5.079 10.602 438 HE ARG 53 HE ARG 53 10.308 5.609 11.137 439 HH11 ARG 53 1HH1 ARG 53 7.319 7.474 11.125 440 HH12 ARG 53 2HH1 ARG 53 7.867 8.578 12.337 441 HH21 ARG 53 1HH2 ARG 53 11.015 7.056 12.695 442 HH22 ARG 53 2HH2 ARG 53 9.983 8.343 13.236 443 H ASP 54 H ASP 54 8.792 4.389 4.929 444 HA ASP 54 HA ASP 54 11.170 6.005 5.162 445 HB2 ASP 54 2HB ASP 54 11.265 3.810 4.088 446 HB3 ASP 54 1HB ASP 54 10.046 4.283 2.911 447 H GLU 55 H GLU 55 8.226 6.070 3.160 448 HA GLU 55 HA GLU 55 9.103 8.453 1.730 449 HB2 GLU 55 2HB GLU 55 8.039 6.581 0.514 450 HB3 GLU 55 1HB GLU 55 6.570 6.795 1.456 451 HG2 GLU 55 2HG GLU 55 6.428 7.744 -0.826 452 HG3 GLU 55 1HG GLU 55 6.138 8.934 0.441 453 H MET 56 H MET 56 6.056 7.594 3.432 454 HA MET 56 HA MET 56 5.322 10.393 3.707 455 HB2 MET 56 2HB MET 56 3.945 7.775 4.354 456 HB3 MET 56 1HB MET 56 3.300 9.281 4.995 457 HG2 MET 56 2HG MET 56 2.120 8.693 2.973 458 HG3 MET 56 1HG MET 56 3.071 10.148 2.698 459 HE1 MET 56 3HE MET 56 2.466 6.426 1.739 460 HE2 MET 56 1HE MET 56 3.984 6.251 2.616 461 HE3 MET 56 2HE MET 56 3.941 5.994 0.872 462 H GLY 57 H GLY 57 7.120 8.208 5.590 463 HA2 GLY 57 2HA GLY 57 8.289 8.591 7.543 464 HA3 GLY 57 1HA GLY 57 7.541 10.176 7.662 465 H VAL 58 H VAL 58 5.615 7.263 7.373 466 HA VAL 58 HA VAL 58 5.052 7.224 10.267 467 HB VAL 58 HB VAL 58 3.358 8.736 9.340 468 HG11 VAL 58 1HG1 VAL 58 1.679 8.017 7.663 469 HG12 VAL 58 2HG1 VAL 58 2.573 6.509 7.434 470 HG13 VAL 58 3HG1 VAL 58 3.315 8.050 6.997 471 HG21 VAL 58 3HG2 VAL 58 1.308 7.602 10.102 472 HG22 VAL 58 1HG2 VAL 58 2.664 7.265 11.180 473 HG23 VAL 58 2HG2 VAL 58 2.135 6.045 10.018 474 H SER 59 H SER 59 5.241 5.155 10.949 475 HA SER 59 HA SER 59 5.347 2.953 9.055 476 HB2 SER 59 2HB SER 59 5.958 1.640 11.165 477 HB3 SER 59 1HB SER 59 7.031 2.989 10.794 478 HG SER 59 HG SER 59 4.898 3.010 12.677 479 H ILE 60 H ILE 60 3.767 1.423 8.748 480 HA ILE 60 HA ILE 60 1.297 1.412 10.263 481 HB ILE 60 HB ILE 60 2.331 -0.745 8.361 482 HG12 ILE 60 2HG1 ILE 60 1.921 1.599 7.309 483 HG13 ILE 60 1HG1 ILE 60 1.126 0.221 6.556 484 HG21 ILE 60 1HG2 ILE 60 -0.062 -1.458 8.270 485 HG22 ILE 60 2HG2 ILE 60 -0.447 -0.276 9.523 486 HG23 ILE 60 3HG2 ILE 60 0.642 -1.618 9.877 487 HD11 ILE 60 3HD1 ILE 60 -0.330 2.189 6.730 488 HD12 ILE 60 1HD1 ILE 60 -0.198 2.125 8.484 489 HD13 ILE 60 2HD1 ILE 60 -0.978 0.805 7.613 490 HA PRO 61 HA PRO 61 3.338 -1.187 13.480 491 HB2 PRO 61 2HB PRO 61 1.189 -1.254 15.206 492 HB3 PRO 61 1HB PRO 61 2.272 0.146 15.073 493 HG2 PRO 61 2HG PRO 61 -0.413 -0.274 13.809 494 HG3 PRO 61 1HG PRO 61 0.227 1.159 14.648 495 HD2 PRO 61 2HD PRO 61 0.176 0.986 11.952 496 HD3 PRO 61 1HD PRO 61 1.477 1.843 12.808 497 H SER 62 H SER 62 2.859 -3.299 14.482 498 HA SER 62 HA SER 62 1.912 -5.254 12.686 499 HB2 SER 62 2HB SER 62 2.213 -6.805 14.657 500 HB3 SER 62 1HB SER 62 3.614 -5.783 14.336 501 HG SER 62 HG SER 62 2.761 -5.990 16.612 502 H THR 63 H THR 63 0.331 -3.486 15.270 503 HA THR 63 HA THR 63 -1.999 -5.121 15.524 504 HB THR 63 HB THR 63 -1.218 -3.677 17.343 505 HG1 THR 63 HG1 THR 63 -3.259 -3.941 17.799 506 HG21 THR 63 3HG2 THR 63 -2.072 -1.313 15.632 507 HG22 THR 63 1HG2 THR 63 -0.411 -1.746 16.050 508 HG23 THR 63 2HG2 THR 63 -1.535 -1.246 17.312 509 H HIS 64 H HIS 64 -1.018 -2.967 13.113 510 HA HIS 64 HA HIS 64 -3.771 -2.621 12.067 511 HB2 HIS 64 2HB HIS 64 -1.329 -0.849 11.879 512 HB3 HIS 64 1HB HIS 64 -2.521 -0.808 10.583 513 HD1 HIS 64 HD1 HIS 64 -3.819 -1.273 14.069 514 HD2 HIS 64 HD2 HIS 64 -3.226 1.812 11.337 515 HE1 HIS 64 HE1 HIS 64 -5.116 0.677 14.959 516 HE2 HIS 64 HE2 HIS 64 -4.623 2.564 13.377 517 H ILE 65 H ILE 65 -1.403 -4.780 11.771 518 HA ILE 65 HA ILE 65 -1.450 -4.941 8.838 519 HB ILE 65 HB ILE 65 -0.189 -6.949 10.761 520 HG12 ILE 65 2HG1 ILE 65 0.874 -4.760 11.099 521 HG13 ILE 65 1HG1 ILE 65 1.979 -5.833 10.245 522 HG21 ILE 65 1HG2 ILE 65 0.222 -6.469 7.779 523 HG22 ILE 65 2HG2 ILE 65 -0.646 -7.823 8.505 524 HG23 ILE 65 3HG2 ILE 65 1.091 -7.657 8.762 525 HD11 ILE 65 3HD1 ILE 65 1.996 -3.567 9.357 526 HD12 ILE 65 1HD1 ILE 65 0.278 -3.699 8.974 527 HD13 ILE 65 2HD1 ILE 65 1.451 -4.734 8.149 528 H THR 66 H THR 66 -3.607 -5.274 8.487 529 HA THR 66 HA THR 66 -4.450 -8.020 8.639 530 HB THR 66 HB THR 66 -5.329 -7.217 10.785 531 HG1 THR 66 HG1 THR 66 -7.733 -7.402 10.118 532 HG21 THR 66 3HG2 THR 66 -6.815 -5.081 9.216 533 HG22 THR 66 1HG2 THR 66 -5.430 -4.806 10.280 534 HG23 THR 66 2HG2 THR 66 -6.959 -5.392 10.948 535 H GLY 67 H GLY 67 -6.817 -8.054 7.575 536 HA2 GLY 67 2HA GLY 67 -6.325 -7.569 4.885 537 HA3 GLY 67 1HA GLY 67 -7.871 -8.028 5.563 538 H LYS 68 H LYS 68 -8.654 -5.852 6.990 539 HA LYS 68 HA LYS 68 -9.979 -4.374 5.041 540 HB2 LYS 68 2HB LYS 68 -10.711 -2.904 6.901 541 HB3 LYS 68 1HB LYS 68 -10.848 -4.618 7.281 542 HG2 LYS 68 2HG LYS 68 -8.801 -4.525 8.623 543 HG3 LYS 68 1HG LYS 68 -8.574 -2.823 8.211 544 HD2 LYS 68 2HD LYS 68 -10.950 -3.950 9.741 545 HD3 LYS 68 1HD LYS 68 -9.550 -3.176 10.484 546 HE2 LYS 68 2HE LYS 68 -10.094 -1.092 9.206 547 HE3 LYS 68 1HE LYS 68 -11.560 -1.878 8.615 548 HZ1 LYS 68 3HZ LYS 68 -11.893 -0.416 10.562 549 HZ2 LYS 68 1HZ LYS 68 -10.942 -1.461 11.490 550 HZ3 LYS 68 2HZ LYS 68 -12.399 -2.008 10.829 551 H TYR 69 H TYR 69 -6.920 -3.635 6.566 552 HA TYR 69 HA TYR 69 -6.879 -0.856 5.706 553 HB2 TYR 69 2HB TYR 69 -4.832 -2.569 7.160 554 HB3 TYR 69 1HB TYR 69 -4.617 -0.856 6.804 555 HD1 TYR 69 HD2 TYR 69 -7.212 0.346 7.447 556 HD2 TYR 69 HD1 TYR 69 -5.125 -2.747 9.524 557 HE1 TYR 69 HE2 TYR 69 -8.344 0.985 9.515 558 HE2 TYR 69 HE1 TYR 69 -6.266 -2.105 11.607 559 HH TYR 69 HH TYR 69 -7.406 -0.153 12.579 560 H PHE 70 H PHE 70 -5.536 -3.929 4.685 561 HA PHE 70 HA PHE 70 -3.765 -2.630 2.689 562 HB2 PHE 70 2HB PHE 70 -3.652 -5.344 4.065 563 HB3 PHE 70 1HB PHE 70 -2.676 -4.983 2.649 564 HD1 PHE 70 HD2 PHE 70 -3.256 -4.038 6.206 565 HD2 PHE 70 HD1 PHE 70 -0.677 -3.656 2.815 566 HE1 PHE 70 HE2 PHE 70 -1.522 -3.039 7.624 567 HE2 PHE 70 HE1 PHE 70 1.049 -2.655 4.250 568 HZ PHE 70 HZ PHE 70 0.632 -2.345 6.654 569 H LYS 71 H LYS 71 -6.785 -3.378 2.446 570 HA LYS 71 HA LYS 71 -7.151 -5.568 0.754 571 HB2 LYS 71 2HB LYS 71 -8.702 -2.960 0.804 572 HB3 LYS 71 1HB LYS 71 -9.219 -4.397 -0.081 573 HG2 LYS 71 2HG LYS 71 -9.233 -5.642 2.112 574 HG3 LYS 71 1HG LYS 71 -8.935 -4.100 2.919 575 HD2 LYS 71 2HD LYS 71 -11.338 -4.784 1.186 576 HD3 LYS 71 1HD LYS 71 -11.322 -4.675 2.946 577 HE2 LYS 71 2HE LYS 71 -10.854 -2.287 2.833 578 HE3 LYS 71 1HE LYS 71 -10.734 -2.358 1.072 579 HZ1 LYS 71 3HZ LYS 71 -13.171 -2.905 2.678 580 HZ2 LYS 71 1HZ LYS 71 -13.059 -3.025 0.995 581 HZ3 LYS 71 2HZ LYS 71 -12.864 -1.527 1.751 582 H ASP 72 H ASP 72 -6.319 -2.275 -0.055 583 HA ASP 72 HA ASP 72 -5.019 -2.906 -2.514 584 HB2 ASP 72 2HB ASP 72 -6.459 -1.577 -4.020 585 HB3 ASP 72 1HB ASP 72 -7.359 -2.918 -3.337 586 H LEU 73 H LEU 73 -4.797 -0.398 -3.657 587 HA LEU 73 HA LEU 73 -3.175 0.956 -1.795 588 HB2 LEU 73 2HB LEU 73 -2.670 1.118 -4.116 589 HB3 LEU 73 1HB LEU 73 -4.249 1.763 -4.492 590 HG LEU 73 HG LEU 73 -2.589 3.416 -2.617 591 HD11 LEU 73 1HD1 LEU 73 -0.934 2.655 -4.282 592 HD12 LEU 73 2HD1 LEU 73 -1.247 4.382 -4.368 593 HD13 LEU 73 3HD1 LEU 73 -1.960 3.304 -5.569 594 HD21 LEU 73 3HD2 LEU 73 -4.822 4.189 -3.321 595 HD22 LEU 73 1HD2 LEU 73 -4.324 4.129 -5.015 596 HD23 LEU 73 2HD2 LEU 73 -3.572 5.276 -3.909 597 H ASN 74 H ASN 74 -6.496 1.653 -2.992 598 HA ASN 74 HA ASN 74 -6.664 4.201 -1.720 599 HB2 ASN 74 2HB ASN 74 -7.978 3.534 -3.736 600 HB3 ASN 74 1HB ASN 74 -8.910 2.419 -2.747 601 HD21 ASN 74 1HD2 ASN 74 -10.814 3.415 -3.186 602 HD22 ASN 74 2HD2 ASN 74 -11.247 4.979 -2.592 603 H ALA 75 H ALA 75 -7.429 0.920 -0.705 604 HA ALA 75 HA ALA 75 -8.696 1.503 1.760 605 HB1 ALA 75 3HB ALA 75 -6.839 -0.803 1.092 606 HB2 ALA 75 1HB ALA 75 -8.587 -0.776 0.841 607 HB3 ALA 75 2HB ALA 75 -7.931 -0.727 2.479 608 H ILE 76 H ILE 76 -5.261 1.161 0.905 609 HA ILE 76 HA ILE 76 -4.142 1.759 3.477 610 HB ILE 76 HB ILE 76 -2.927 1.744 0.688 611 HG12 ILE 76 2HG1 ILE 76 -2.636 -0.216 2.988 612 HG13 ILE 76 1HG1 ILE 76 -3.680 -0.472 1.589 613 HG21 ILE 76 1HG2 ILE 76 -1.426 2.032 3.322 614 HG22 ILE 76 2HG2 ILE 76 -1.593 3.284 2.092 615 HG23 ILE 76 3HG2 ILE 76 -0.682 1.818 1.732 616 HD11 ILE 76 3HD1 ILE 76 -1.653 -1.747 1.391 617 HD12 ILE 76 1HD1 ILE 76 -0.666 -0.302 1.595 618 HD13 ILE 76 2HD1 ILE 76 -1.672 -0.491 0.151 619 H SER 77 H SER 77 -5.129 3.766 0.729 620 HA SER 77 HA SER 77 -3.567 6.053 1.436 621 HB2 SER 77 2HB SER 77 -4.857 7.266 -0.238 622 HB3 SER 77 1HB SER 77 -4.495 5.668 -0.879 623 HG SER 77 HG SER 77 -6.855 6.799 -0.631 624 H ARG 78 H ARG 78 -6.855 4.941 2.152 625 HA ARG 78 HA ARG 78 -7.633 7.246 3.672 626 HB2 ARG 78 2HB ARG 78 -8.726 4.410 3.803 627 HB3 ARG 78 1HB ARG 78 -9.499 5.836 4.489 628 HG2 ARG 78 2HG ARG 78 -9.094 5.181 1.565 629 HG3 ARG 78 1HG ARG 78 -10.617 5.301 2.437 630 HD2 ARG 78 2HD ARG 78 -10.296 7.732 2.695 631 HD3 ARG 78 1HD ARG 78 -8.725 7.620 1.891 632 HE ARG 78 HE ARG 78 -10.858 6.584 0.287 633 HH11 ARG 78 1HH1 ARG 78 -9.252 9.568 1.206 634 HH12 ARG 78 2HH1 ARG 78 -9.744 10.407 -0.227 635 HH21 ARG 78 1HH2 ARG 78 -11.490 7.686 -1.560 636 HH22 ARG 78 2HH2 ARG 78 -11.018 9.334 -1.801 637 H THR 79 H THR 79 -6.243 4.091 4.506 638 HA THR 79 HA THR 79 -6.361 4.302 7.323 639 HB THR 79 HB THR 79 -4.458 2.672 5.588 640 HG1 THR 79 HG1 THR 79 -6.157 1.464 5.300 641 HG21 THR 79 3HG2 THR 79 -5.130 2.326 8.544 642 HG22 THR 79 1HG2 THR 79 -3.559 2.815 7.894 643 HG23 THR 79 2HG2 THR 79 -4.186 1.197 7.573 644 H VAL 80 H VAL 80 -3.922 5.316 4.993 645 HA VAL 80 HA VAL 80 -1.879 5.839 6.956 646 HB VAL 80 HB VAL 80 -1.409 5.102 4.563 647 HG11 VAL 80 1HG1 VAL 80 -1.302 6.785 2.781 648 HG12 VAL 80 2HG1 VAL 80 -2.027 7.998 3.841 649 HG13 VAL 80 3HG1 VAL 80 -2.957 6.576 3.352 650 HG21 VAL 80 3HG2 VAL 80 0.617 6.478 4.332 651 HG22 VAL 80 1HG2 VAL 80 0.357 5.979 6.001 652 HG23 VAL 80 2HG2 VAL 80 -0.017 7.635 5.508 653 H GLU 81 H GLU 81 -4.390 7.684 5.265 654 HA GLU 81 HA GLU 81 -3.659 10.261 6.228 655 HB2 GLU 81 2HB GLU 81 -6.407 9.191 5.492 656 HB3 GLU 81 1HB GLU 81 -6.080 10.874 5.891 657 HG2 GLU 81 2HG GLU 81 -4.989 9.321 3.550 658 HG3 GLU 81 1HG GLU 81 -6.203 10.585 3.486 659 H GLN 82 H GLN 82 -5.669 7.639 7.558 660 HA GLN 82 HA GLN 82 -6.678 8.890 9.862 661 HB2 GLN 82 2HB GLN 82 -5.820 5.969 9.600 662 HB3 GLN 82 1HB GLN 82 -6.815 6.607 10.905 663 HG2 GLN 82 2HG GLN 82 -7.572 6.552 7.981 664 HG3 GLN 82 1HG GLN 82 -8.128 5.413 9.203 665 HE21 GLN 82 1HE2 GLN 82 -9.567 7.382 7.440 666 HE22 GLN 82 2HE2 GLN 82 -10.546 8.316 8.518 667 H LEU 83 H LEU 83 -3.678 7.057 9.445 668 HA LEU 83 HA LEU 83 -2.608 7.283 12.021 669 HB2 LEU 83 2HB LEU 83 -1.157 7.138 9.359 670 HB3 LEU 83 1HB LEU 83 -0.403 6.866 10.925 671 HG LEU 83 HG LEU 83 -2.611 5.137 9.740 672 HD11 LEU 83 1HD1 LEU 83 -0.832 3.464 9.411 673 HD12 LEU 83 2HD1 LEU 83 0.376 4.635 9.947 674 HD13 LEU 83 3HD1 LEU 83 -0.541 4.922 8.464 675 HD21 LEU 83 3HD2 LEU 83 -2.645 5.110 12.200 676 HD22 LEU 83 1HD2 LEU 83 -0.920 4.739 12.241 677 HD23 LEU 83 2HD2 LEU 83 -2.063 3.570 11.574 678 H LYS 84 H LYS 84 -2.112 9.394 9.197 679 HA LYS 84 HA LYS 84 -0.350 11.192 10.604 680 HB2 LYS 84 2HB LYS 84 -1.758 11.509 7.920 681 HB3 LYS 84 1HB LYS 84 -0.525 12.605 8.539 682 HG2 LYS 84 2HG LYS 84 1.100 10.743 8.552 683 HG3 LYS 84 1HG LYS 84 -0.129 9.675 7.881 684 HD2 LYS 84 2HD LYS 84 0.964 12.167 6.509 685 HD3 LYS 84 1HD LYS 84 1.480 10.516 6.178 686 HE2 LYS 84 2HE LYS 84 -0.038 10.982 4.445 687 HE3 LYS 84 1HE LYS 84 -0.995 10.054 5.592 688 HZ1 LYS 84 3HZ LYS 84 -2.129 12.032 4.647 689 HZ2 LYS 84 1HZ LYS 84 -1.020 13.024 5.458 690 HZ3 LYS 84 2HZ LYS 84 -2.062 12.031 6.334 691 H ALA 85 H ALA 85 -3.779 10.940 10.297 692 HA ALA 85 HA ALA 85 -4.419 13.679 11.005 693 HB1 ALA 85 3HB ALA 85 -5.965 12.314 9.630 694 HB2 ALA 85 1HB ALA 85 -6.737 12.898 11.105 695 HB3 ALA 85 2HB ALA 85 -6.200 11.219 10.997 696 H GLU 86 H GLU 86 -4.130 10.566 12.675 697 HA GLU 86 HA GLU 86 -5.035 11.598 15.236 698 HB2 GLU 86 2HB GLU 86 -3.578 8.983 14.663 699 HB3 GLU 86 1HB GLU 86 -4.456 9.395 16.131 700 HG2 GLU 86 2HG GLU 86 -5.622 8.872 13.389 701 HG3 GLU 86 1HG GLU 86 -5.762 7.859 14.812 702 H SER 87 H SER 87 -1.997 10.901 13.629 703 HA SER 87 HA SER 87 -0.293 11.648 15.843 704 HB2 SER 87 2HB SER 87 0.395 10.016 14.082 705 HB3 SER 87 1HB SER 87 0.387 11.314 12.893 706 HG SER 87 HG SER 87 1.907 12.032 14.985 707 H ALA 88 H ALA 88 -2.110 13.420 13.544 708 HA ALA 88 HA ALA 88 -0.593 15.643 12.891 709 HB1 ALA 88 3HB ALA 88 -3.560 15.619 13.530 710 HB2 ALA 88 1HB ALA 88 -2.824 15.236 11.971 711 HB3 ALA 88 2HB ALA 88 -2.705 16.871 12.620 712 H LEU 89 H LEU 89 0.140 17.371 13.928 713 HA LEU 89 HA LEU 89 -0.072 17.561 16.826 714 HB2 LEU 89 2HB LEU 89 1.858 18.942 16.760 715 HB3 LEU 89 1HB LEU 89 2.145 17.626 15.643 716 HG LEU 89 HG LEU 89 1.383 20.468 14.823 717 HD11 LEU 89 1HD1 LEU 89 4.072 19.072 14.754 718 HD12 LEU 89 2HD1 LEU 89 3.604 20.376 15.846 719 HD13 LEU 89 3HD1 LEU 89 3.730 20.683 14.116 720 HD21 LEU 89 3HD2 LEU 89 2.284 18.129 13.097 721 HD22 LEU 89 1HD2 LEU 89 2.027 19.785 12.534 722 HD23 LEU 89 2HD2 LEU 89 0.666 18.836 13.129 723 H GLU 90 H GLU 90 -1.864 18.811 14.365 724 HA GLU 90 HA GLU 90 -2.016 21.600 15.116 725 HB2 GLU 90 2HB GLU 90 -3.632 19.952 13.115 726 HB3 GLU 90 1HB GLU 90 -3.719 21.706 13.272 727 HG2 GLU 90 2HG GLU 90 -1.375 21.907 12.582 728 HG3 GLU 90 1HG GLU 90 -1.225 20.152 12.511 729 H281 4EM 101 2H28 PYA 142 1.419 -12.253 7.832 730 H283 4EM 101 3H28 PYA 142 2.536 -13.033 8.950 731 H303 4EM 101 3H30 PYA 142 -0.942 -14.164 8.270 732 H301 4EM 101 1H30 PYA 142 -1.056 -12.398 8.217 733 H302 4EM 101 2H30 PYA 142 -1.683 -13.288 9.609 734 H312 4EM 101 2H31 PYA 142 -0.223 -11.868 11.139 735 H313 4EM 101 3H31 PYA 142 1.510 -11.775 10.846 736 H311 4EM 101 1H31 PYA 142 0.391 -11.000 9.724 737 H32 4EM 101 H32 PYA 142 0.615 -15.283 9.852 738 H33 4EM 101 H33 PYA 142 2.669 -14.464 10.331 739 H36 4EM 101 H36 PYA 142 0.836 -13.252 12.656 740 H373 4EM 101 3H37 PYA 142 -1.523 -14.437 13.962 741 H372 4EM 101 2H37 PYA 142 -0.101 -13.774 14.753 742 H382 4EM 101 2H38 PYA 142 -0.764 -11.507 14.025 743 H383 4EM 101 3H38 PYA 142 -1.913 -12.258 15.123 744 H41 4EM 101 H41 PYA 142 -2.022 -10.074 12.933 745 H423 4EM 101 3H42 PYA 142 -3.571 -9.133 11.585 746 H422 4EM 101 2H42 PYA 142 -4.724 -10.281 12.243 747 H433 4EM 101 3H43 PYA 142 -4.749 -10.453 9.857 748 H432 4EM 101 2H43 PYA 142 -4.034 -11.916 10.525 749 H44 4EM 101 H44 PYA 142 -1.917 -10.907 10.055 750 H49 4EM 101 H49 PYA 142 -2.396 -10.571 5.652 751 H51 4EM 101 H51 PYA 142 0.164 -10.481 5.116 752 H50 4EM 101 H50 PYA 142 1.446 -10.008 7.332 753 H48 4EM 101 H48 PYA 142 -0.327 -9.808 9.170 Start of MODEL 9 1 H1 MET 1 1H MET 1 4.766 13.596 -2.406 2 H2 MET 1 2H MET 1 6.052 14.161 -3.351 3 H3 MET 1 3H MET 1 4.548 13.871 -4.048 4 HA MET 1 HA MET 1 5.046 15.894 -1.985 5 HB2 MET 1 2HB MET 1 6.186 16.447 -4.133 6 HB3 MET 1 1HB MET 1 4.668 16.276 -4.995 7 HG2 MET 1 2HG MET 1 3.740 18.215 -3.792 8 HG3 MET 1 1HG MET 1 5.227 18.364 -2.855 9 HE1 MET 1 3HE MET 1 7.805 19.510 -5.623 10 HE2 MET 1 1HE MET 1 7.528 17.856 -5.067 11 HE3 MET 1 2HE MET 1 7.570 19.187 -3.910 12 H ASP 2 H ASP 2 2.812 15.346 -4.761 13 HA ASP 2 HA ASP 2 0.600 16.268 -3.058 14 HB2 ASP 2 2HB ASP 2 0.655 15.755 -6.067 15 HB3 ASP 2 1HB ASP 2 -0.660 16.504 -5.163 16 H GLY 3 H GLY 3 0.728 14.214 -1.859 17 HA2 GLY 3 2HA GLY 3 -0.177 12.211 -1.200 18 HA3 GLY 3 1HA GLY 3 -1.626 12.989 -1.758 19 H GLU 4 H GLU 4 -1.956 12.609 -4.226 20 HA GLU 4 HA GLU 4 -2.447 9.901 -4.740 21 HB2 GLU 4 2HB GLU 4 -2.258 12.113 -6.825 22 HB3 GLU 4 1HB GLU 4 -3.149 10.594 -6.956 23 HG2 GLU 4 2HG GLU 4 -4.576 11.304 -5.042 24 HG3 GLU 4 1HG GLU 4 -3.751 12.867 -5.063 25 H GLU 5 H GLU 5 0.329 11.805 -5.386 26 HA GLU 5 HA GLU 5 1.711 10.243 -7.258 27 HB2 GLU 5 2HB GLU 5 2.360 12.550 -6.523 28 HB3 GLU 5 1HB GLU 5 2.824 11.896 -4.959 29 HG2 GLU 5 2HG GLU 5 4.446 10.379 -6.332 30 HG3 GLU 5 1HG GLU 5 4.158 11.532 -7.633 31 H VAL 6 H VAL 6 1.614 10.103 -3.660 32 HA VAL 6 HA VAL 6 3.553 7.942 -3.605 33 HB VAL 6 HB VAL 6 3.335 7.831 -1.216 34 HG11 VAL 6 1HG1 VAL 6 3.325 10.733 -2.095 35 HG12 VAL 6 2HG1 VAL 6 4.718 9.647 -2.047 36 HG13 VAL 6 3HG1 VAL 6 3.925 10.127 -0.549 37 HG21 VAL 6 3HG2 VAL 6 0.862 8.039 -1.012 38 HG22 VAL 6 1HG2 VAL 6 0.994 9.770 -1.324 39 HG23 VAL 6 2HG2 VAL 6 1.719 9.078 0.128 40 H LYS 7 H LYS 7 0.085 8.253 -3.731 41 HA LYS 7 HA LYS 7 -0.706 5.648 -3.125 42 HB2 LYS 7 2HB LYS 7 -1.860 7.844 -4.765 43 HB3 LYS 7 1HB LYS 7 -2.401 6.243 -5.246 44 HG2 LYS 7 2HG LYS 7 -3.044 5.864 -2.813 45 HG3 LYS 7 1HG LYS 7 -2.752 7.584 -2.550 46 HD2 LYS 7 2HD LYS 7 -4.631 6.606 -4.729 47 HD3 LYS 7 1HD LYS 7 -5.182 6.848 -3.076 48 HE2 LYS 7 2HE LYS 7 -3.844 9.018 -4.706 49 HE3 LYS 7 1HE LYS 7 -5.592 8.773 -4.672 50 HZ1 LYS 7 3HZ LYS 7 -4.997 10.444 -3.105 51 HZ2 LYS 7 1HZ LYS 7 -3.849 9.445 -2.367 52 HZ3 LYS 7 2HZ LYS 7 -5.495 9.083 -2.238 53 H GLU 8 H GLU 8 0.094 6.871 -6.447 54 HA GLU 8 HA GLU 8 -0.014 4.318 -7.642 55 HB2 GLU 8 2HB GLU 8 1.112 5.214 -9.590 56 HB3 GLU 8 1HB GLU 8 -0.039 6.409 -9.009 57 HG2 GLU 8 2HG GLU 8 1.667 7.834 -8.189 58 HG3 GLU 8 1HG GLU 8 2.890 6.565 -8.263 59 H LYS 9 H LYS 9 2.577 5.983 -5.963 60 HA LYS 9 HA LYS 9 4.752 4.332 -6.580 61 HB2 LYS 9 2HB LYS 9 4.143 6.068 -4.187 62 HB3 LYS 9 1HB LYS 9 5.660 5.183 -4.319 63 HG2 LYS 9 2HG LYS 9 6.293 6.402 -6.294 64 HG3 LYS 9 1HG LYS 9 4.701 7.158 -6.410 65 HD2 LYS 9 2HD LYS 9 6.505 8.652 -5.491 66 HD3 LYS 9 1HD LYS 9 5.095 8.482 -4.449 67 HE2 LYS 9 2HE LYS 9 7.259 8.421 -3.203 68 HE3 LYS 9 1HE LYS 9 6.299 6.957 -2.989 69 HZ1 LYS 9 3HZ LYS 9 8.622 7.257 -4.825 70 HZ2 LYS 9 1HZ LYS 9 7.689 5.858 -4.630 71 HZ3 LYS 9 2HZ LYS 9 8.613 6.438 -3.343 72 H ILE 10 H ILE 10 2.253 3.890 -4.107 73 HA ILE 10 HA ILE 10 3.438 1.802 -2.608 74 HB ILE 10 HB ILE 10 0.487 2.206 -3.238 75 HG12 ILE 10 2HG1 ILE 10 1.315 4.212 -2.183 76 HG13 ILE 10 1HG1 ILE 10 0.366 3.341 -0.991 77 HG21 ILE 10 1HG2 ILE 10 1.723 0.596 -0.992 78 HG22 ILE 10 2HG2 ILE 10 0.832 -0.041 -2.375 79 HG23 ILE 10 3HG2 ILE 10 0.001 0.943 -1.170 80 HD11 ILE 10 3HD1 ILE 10 2.348 4.283 0.009 81 HD12 ILE 10 1HD1 ILE 10 3.383 3.451 -1.148 82 HD13 ILE 10 2HD1 ILE 10 2.456 2.525 0.042 83 H ARG 11 H ARG 11 1.282 1.698 -5.414 84 HA ARG 11 HA ARG 11 1.287 -1.201 -5.534 85 HB2 ARG 11 2HB ARG 11 -0.003 0.871 -7.334 86 HB3 ARG 11 1HB ARG 11 -0.235 -0.867 -7.482 87 HG2 ARG 11 2HG ARG 11 -1.079 0.897 -5.176 88 HG3 ARG 11 1HG ARG 11 -2.128 0.045 -6.307 89 HD2 ARG 11 2HD ARG 11 -1.304 -2.126 -5.404 90 HD3 ARG 11 1HD ARG 11 -0.287 -1.248 -4.260 91 HE ARG 11 HE ARG 11 -3.148 -0.709 -4.162 92 HH11 ARG 11 1HH1 ARG 11 -0.444 -2.429 -2.746 93 HH12 ARG 11 2HH1 ARG 11 -1.269 -2.779 -1.269 94 HH21 ARG 11 1HH2 ARG 11 -4.262 -1.298 -2.275 95 HH22 ARG 11 2HH2 ARG 11 -3.450 -2.135 -0.999 96 H ARG 12 H ARG 12 2.775 1.431 -7.299 97 HA ARG 12 HA ARG 12 3.918 -0.032 -9.437 98 HB2 ARG 12 2HB ARG 12 4.342 2.654 -8.198 99 HB3 ARG 12 1HB ARG 12 5.777 1.995 -8.963 100 HG2 ARG 12 2HG ARG 12 4.504 3.472 -10.468 101 HG3 ARG 12 1HG ARG 12 4.649 1.833 -11.089 102 HD2 ARG 12 2HD ARG 12 2.323 1.379 -10.320 103 HD3 ARG 12 1HD ARG 12 2.196 3.059 -9.799 104 HE ARG 12 HE ARG 12 1.801 3.661 -11.956 105 HH11 ARG 12 1HH1 ARG 12 3.370 0.524 -12.060 106 HH12 ARG 12 2HH1 ARG 12 3.179 0.357 -13.768 107 HH21 ARG 12 1HH2 ARG 12 1.529 3.406 -14.190 108 HH22 ARG 12 2HH2 ARG 12 2.136 1.987 -14.992 109 H TYR 13 H TYR 13 5.036 0.740 -6.174 110 HA TYR 13 HA TYR 13 7.586 -0.376 -6.209 111 HB2 TYR 13 2HB TYR 13 6.793 0.985 -4.348 112 HB3 TYR 13 1HB TYR 13 5.567 -0.211 -3.925 113 HD1 TYR 13 HD1 TYR 13 9.287 -0.247 -4.571 114 HD2 TYR 13 HD2 TYR 13 6.108 -1.385 -1.957 115 HE1 TYR 13 HE1 TYR 13 10.898 -1.295 -3.049 116 HE2 TYR 13 HE2 TYR 13 7.717 -2.424 -0.450 117 HH TYR 13 HH TYR 13 11.100 -2.001 -0.798 118 H ILE 14 H ILE 14 4.489 -1.953 -5.577 119 HA ILE 14 HA ILE 14 5.441 -4.517 -4.872 120 HB ILE 14 HB ILE 14 2.779 -3.833 -6.193 121 HG12 ILE 14 2HG1 ILE 14 3.421 -3.986 -3.215 122 HG13 ILE 14 1HG1 ILE 14 3.266 -2.481 -4.110 123 HG21 ILE 14 1HG2 ILE 14 1.960 -5.891 -5.050 124 HG22 ILE 14 2HG2 ILE 14 3.595 -6.216 -4.477 125 HG23 ILE 14 3HG2 ILE 14 3.241 -6.252 -6.205 126 HD11 ILE 14 3HD1 ILE 14 1.276 -2.974 -2.853 127 HD12 ILE 14 1HD1 ILE 14 1.097 -4.518 -3.682 128 HD13 ILE 14 2HD1 ILE 14 0.933 -3.008 -4.582 129 H MET 15 H MET 15 4.323 -3.208 -8.002 130 HA MET 15 HA MET 15 4.662 -5.662 -9.434 131 HB2 MET 15 2HB MET 15 4.449 -2.840 -10.598 132 HB3 MET 15 1HB MET 15 4.100 -4.355 -11.427 133 HG2 MET 15 2HG MET 15 2.540 -3.079 -9.189 134 HG3 MET 15 1HG MET 15 2.013 -3.360 -10.846 135 HE1 MET 15 3HE MET 15 0.752 -5.478 -11.575 136 HE2 MET 15 1HE MET 15 1.102 -7.077 -10.922 137 HE3 MET 15 2HE MET 15 2.382 -6.150 -11.707 138 H GLU 16 H GLU 16 6.663 -2.693 -9.269 139 HA GLU 16 HA GLU 16 8.610 -3.479 -11.195 140 HB2 GLU 16 2HB GLU 16 8.834 -1.397 -8.970 141 HB3 GLU 16 1HB GLU 16 9.924 -1.537 -10.340 142 HG2 GLU 16 2HG GLU 16 8.197 -0.866 -11.877 143 HG3 GLU 16 1HG GLU 16 6.978 -0.918 -10.601 144 H ASP 17 H ASP 17 8.632 -3.416 -7.627 145 HA ASP 17 HA ASP 17 11.353 -4.507 -7.526 146 HB2 ASP 17 2HB ASP 17 10.892 -2.560 -6.130 147 HB3 ASP 17 1HB ASP 17 9.541 -3.375 -5.356 148 H LEU 18 H LEU 18 8.146 -5.293 -6.089 149 HA LEU 18 HA LEU 18 9.160 -7.699 -4.879 150 HB2 LEU 18 2HB LEU 18 6.359 -6.577 -5.109 151 HB3 LEU 18 1HB LEU 18 6.675 -8.119 -4.345 152 HG LEU 18 HG LEU 18 6.458 -6.498 -2.604 153 HD11 LEU 18 1HD1 LEU 18 8.599 -6.627 -1.426 154 HD12 LEU 18 2HD1 LEU 18 9.417 -7.109 -2.910 155 HD13 LEU 18 3HD1 LEU 18 8.195 -8.159 -2.185 156 HD21 LEU 18 3HD2 LEU 18 6.836 -4.423 -3.824 157 HD22 LEU 18 1HD2 LEU 18 8.564 -4.770 -3.934 158 HD23 LEU 18 2HD2 LEU 18 7.815 -4.472 -2.364 159 H ILE 19 H ILE 19 7.092 -7.097 -7.736 160 HA ILE 19 HA ILE 19 6.993 -9.911 -8.446 161 HB ILE 19 HB ILE 19 6.048 -7.402 -9.879 162 HG12 ILE 19 2HG1 ILE 19 3.800 -8.480 -9.777 163 HG13 ILE 19 1HG1 ILE 19 4.510 -9.854 -8.964 164 HG21 ILE 19 1HG2 ILE 19 6.013 -10.187 -11.070 165 HG22 ILE 19 2HG2 ILE 19 6.948 -8.810 -11.657 166 HG23 ILE 19 3HG2 ILE 19 5.187 -8.780 -11.745 167 HD11 ILE 19 3HD1 ILE 19 5.012 -8.443 -7.036 168 HD12 ILE 19 1HD1 ILE 19 3.295 -8.457 -7.442 169 HD13 ILE 19 2HD1 ILE 19 4.290 -7.064 -7.878 170 H GLY 20 H GLY 20 8.456 -7.027 -9.948 171 HA2 GLY 20 2HA GLY 20 10.934 -7.227 -10.418 172 HA3 GLY 20 1HA GLY 20 10.525 -8.726 -11.250 173 HA PRO 21 HA PRO 21 10.459 -5.243 -14.426 174 HB2 PRO 21 2HB PRO 21 11.997 -6.550 -16.304 175 HB3 PRO 21 1HB PRO 21 12.699 -5.601 -14.981 176 HG2 PRO 21 2HG PRO 21 12.297 -8.571 -15.134 177 HG3 PRO 21 1HG PRO 21 13.739 -7.653 -14.633 178 HD2 PRO 21 2HD PRO 21 12.057 -8.687 -12.808 179 HD3 PRO 21 1HD PRO 21 12.851 -7.119 -12.546 180 H SER 22 H SER 22 9.539 -8.571 -14.302 181 HA SER 22 HA SER 22 7.987 -8.606 -16.782 182 HB2 SER 22 2HB SER 22 8.154 -10.630 -14.511 183 HB3 SER 22 1HB SER 22 7.476 -10.913 -16.117 184 HG SER 22 HG SER 22 9.784 -11.546 -15.616 185 H ALA 23 H ALA 23 7.372 -6.656 -14.626 186 HA ALA 23 HA ALA 23 5.152 -7.264 -13.064 187 HB1 ALA 23 3HB ALA 23 6.576 -5.348 -12.654 188 HB2 ALA 23 1HB ALA 23 4.905 -4.818 -12.863 189 HB3 ALA 23 2HB ALA 23 6.070 -4.601 -14.173 190 H LYS 24 H LYS 24 3.144 -7.703 -13.626 191 HA LYS 24 HA LYS 24 1.993 -6.861 -16.182 192 HB2 LYS 24 2HB LYS 24 0.717 -8.559 -13.993 193 HB3 LYS 24 1HB LYS 24 0.169 -8.398 -15.656 194 HG2 LYS 24 2HG LYS 24 2.750 -9.716 -14.764 195 HG3 LYS 24 1HG LYS 24 1.286 -10.563 -15.260 196 HD2 LYS 24 2HD LYS 24 1.520 -9.655 -17.550 197 HD3 LYS 24 1HD LYS 24 2.948 -8.742 -17.053 198 HE2 LYS 24 2HE LYS 24 4.168 -10.825 -16.612 199 HE3 LYS 24 1HE LYS 24 2.729 -11.775 -16.995 200 HZ1 LYS 24 3HZ LYS 24 2.826 -10.886 -19.257 201 HZ2 LYS 24 1HZ LYS 24 4.228 -11.738 -18.857 202 HZ3 LYS 24 2HZ LYS 24 4.243 -10.054 -18.877 203 H GLU 25 H GLU 25 2.440 -4.632 -15.076 204 HA GLU 25 HA GLU 25 0.849 -3.635 -12.960 205 HB2 GLU 25 2HB GLU 25 1.586 -1.394 -13.748 206 HB3 GLU 25 1HB GLU 25 2.901 -2.542 -13.609 207 HG2 GLU 25 2HG GLU 25 3.007 -2.862 -16.007 208 HG3 GLU 25 1HG GLU 25 1.547 -1.897 -16.241 209 H ASP 26 H ASP 26 0.179 -4.110 -16.269 210 HA ASP 26 HA ASP 26 -1.925 -2.268 -16.667 211 HB2 ASP 26 2HB ASP 26 -1.355 -4.914 -18.072 212 HB3 ASP 26 1HB ASP 26 -2.416 -3.650 -18.688 213 H GLU 27 H GLU 27 -1.723 -5.334 -15.101 214 HA GLU 27 HA GLU 27 -4.586 -5.924 -15.095 215 HB2 GLU 27 2HB GLU 27 -2.306 -7.301 -13.606 216 HB3 GLU 27 1HB GLU 27 -3.930 -7.931 -13.839 217 HG2 GLU 27 2HG GLU 27 -1.796 -7.534 -15.935 218 HG3 GLU 27 1HG GLU 27 -2.451 -9.060 -15.348 219 H LEU 28 H LEU 28 -2.475 -4.013 -13.255 220 HA LEU 28 HA LEU 28 -4.009 -4.257 -10.773 221 HB2 LEU 28 2HB LEU 28 -1.423 -4.264 -10.936 222 HB3 LEU 28 1HB LEU 28 -1.531 -2.552 -11.283 223 HG LEU 28 HG LEU 28 -2.736 -3.696 -8.752 224 HD11 LEU 28 1HD1 LEU 28 -0.690 -3.210 -7.529 225 HD12 LEU 28 2HD1 LEU 28 0.116 -2.761 -9.034 226 HD13 LEU 28 3HD1 LEU 28 -0.405 -4.425 -8.774 227 HD21 LEU 28 3HD2 LEU 28 -2.380 -1.428 -7.858 228 HD22 LEU 28 1HD2 LEU 28 -3.375 -1.391 -9.307 229 HD23 LEU 28 2HD2 LEU 28 -1.677 -0.927 -9.399 230 H ASP 29 H ASP 29 -5.154 -2.545 -9.927 231 HA ASP 29 HA ASP 29 -5.284 0.091 -11.210 232 HB2 ASP 29 2HB ASP 29 -7.105 -1.354 -12.260 233 HB3 ASP 29 1HB ASP 29 -7.751 -1.585 -10.641 234 H ASP 30 H ASP 30 -6.695 1.542 -9.782 235 HA ASP 30 HA ASP 30 -5.690 1.503 -7.150 236 HB2 ASP 30 2HB ASP 30 -6.011 3.599 -8.395 237 HB3 ASP 30 1HB ASP 30 -7.739 3.292 -8.519 238 H GLN 31 H GLN 31 -8.959 1.088 -8.474 239 HA GLN 31 HA GLN 31 -10.056 0.442 -5.811 240 HB2 GLN 31 2HB GLN 31 -11.525 1.006 -8.424 241 HB3 GLN 31 1HB GLN 31 -12.294 0.736 -6.863 242 HG2 GLN 31 2HG GLN 31 -11.014 2.781 -6.016 243 HG3 GLN 31 1HG GLN 31 -10.583 3.098 -7.697 244 HE21 GLN 31 1HE2 GLN 31 -12.178 4.709 -5.832 245 HE22 GLN 31 2HE2 GLN 31 -13.720 4.944 -6.584 246 H THR 32 H THR 32 -8.589 -1.321 -8.037 247 HA THR 32 HA THR 32 -10.355 -3.657 -8.075 248 HB THR 32 HB THR 32 -7.510 -3.155 -9.052 249 HG1 THR 32 HG1 THR 32 -9.481 -2.340 -10.149 250 HG21 THR 32 3HG2 THR 32 -9.110 -5.717 -9.375 251 HG22 THR 32 1HG2 THR 32 -7.654 -5.526 -8.390 252 HG23 THR 32 2HG2 THR 32 -7.564 -5.355 -10.140 253 HA PRO 33 HA PRO 33 -8.954 -4.870 -3.963 254 HB2 PRO 33 2HB PRO 33 -9.861 -7.489 -3.968 255 HB3 PRO 33 1HB PRO 33 -10.922 -6.077 -3.762 256 HG2 PRO 33 2HG PRO 33 -10.416 -7.697 -6.222 257 HG3 PRO 33 1HG PRO 33 -11.947 -7.042 -5.597 258 HD2 PRO 33 2HD PRO 33 -10.585 -5.856 -7.614 259 HD3 PRO 33 1HD PRO 33 -11.552 -4.923 -6.459 260 H LEU 34 H LEU 34 -6.804 -4.989 -3.806 261 HA LEU 34 HA LEU 34 -5.133 -6.483 -5.564 262 HB2 LEU 34 2HB LEU 34 -4.423 -5.032 -2.984 263 HB3 LEU 34 1HB LEU 34 -3.260 -5.698 -4.112 264 HG LEU 34 HG LEU 34 -3.276 -3.369 -4.508 265 HD11 LEU 34 1HD1 LEU 34 -4.049 -3.066 -6.812 266 HD12 LEU 34 2HD1 LEU 34 -5.009 -4.543 -6.703 267 HD13 LEU 34 3HD1 LEU 34 -3.248 -4.619 -6.605 268 HD21 LEU 34 3HD2 LEU 34 -6.281 -3.379 -4.625 269 HD22 LEU 34 1HD2 LEU 34 -5.243 -1.994 -4.977 270 HD23 LEU 34 2HD2 LEU 34 -5.265 -2.690 -3.358 271 H LEU 35 H LEU 35 -6.252 -6.968 -2.236 272 HA LEU 35 HA LEU 35 -4.719 -9.236 -1.519 273 HB2 LEU 35 2HB LEU 35 -7.567 -8.516 -0.743 274 HB3 LEU 35 1HB LEU 35 -6.589 -9.727 0.072 275 HG LEU 35 HG LEU 35 -5.784 -6.797 -0.051 276 HD11 LEU 35 1HD1 LEU 35 -7.972 -7.003 1.051 277 HD12 LEU 35 2HD1 LEU 35 -6.698 -6.557 2.184 278 HD13 LEU 35 3HD1 LEU 35 -7.304 -8.216 2.151 279 HD21 LEU 35 3HD2 LEU 35 -4.894 -9.041 1.805 280 HD22 LEU 35 1HD2 LEU 35 -4.331 -7.367 1.843 281 HD23 LEU 35 2HD2 LEU 35 -3.951 -8.392 0.461 282 H GLU 36 H GLU 36 -7.923 -8.965 -3.000 283 HA GLU 36 HA GLU 36 -8.505 -11.730 -3.225 284 HB2 GLU 36 2HB GLU 36 -9.637 -9.242 -4.535 285 HB3 GLU 36 1HB GLU 36 -10.230 -10.844 -4.954 286 HG2 GLU 36 2HG GLU 36 -11.587 -9.562 -3.259 287 HG3 GLU 36 1HG GLU 36 -11.142 -11.203 -2.811 288 H TRP 37 H TRP 37 -6.579 -9.600 -5.159 289 HA TRP 37 HA TRP 37 -6.445 -11.550 -7.389 290 HB2 TRP 37 2HB TRP 37 -5.553 -8.655 -7.137 291 HB3 TRP 37 1HB TRP 37 -5.095 -9.669 -8.503 292 HD1 TRP 37 HD1 TRP 37 -8.636 -9.359 -6.855 293 HE1 TRP 37 HE1 TRP 37 -10.307 -8.697 -8.668 294 HE3 TRP 37 HE3 TRP 37 -5.384 -8.787 -10.775 295 HZ2 TRP 37 HZ2 TRP 37 -10.273 -8.004 -11.407 296 HZ3 TRP 37 HZ3 TRP 37 -6.297 -8.106 -12.966 297 HH2 TRP 37 HH2 TRP 37 -8.694 -7.725 -13.269 298 H GLY 38 H GLY 38 -5.052 -11.440 -4.525 299 HA2 GLY 38 2HA GLY 38 -3.256 -12.552 -3.647 300 HA3 GLY 38 1HA GLY 38 -2.889 -13.148 -5.253 301 H ILE 39 H ILE 39 -3.004 -9.745 -4.778 302 HA ILE 39 HA ILE 39 -0.245 -9.435 -5.613 303 HB ILE 39 HB ILE 39 -2.493 -7.425 -5.101 304 HG12 ILE 39 2HG1 ILE 39 -1.362 -8.489 -7.728 305 HG13 ILE 39 1HG1 ILE 39 -2.891 -8.985 -7.022 306 HG21 ILE 39 1HG2 ILE 39 -1.151 -5.719 -6.246 307 HG22 ILE 39 2HG2 ILE 39 0.195 -6.851 -6.386 308 HG23 ILE 39 3HG2 ILE 39 -0.327 -6.295 -4.796 309 HD11 ILE 39 3HD1 ILE 39 -3.735 -6.697 -7.323 310 HD12 ILE 39 1HD1 ILE 39 -3.235 -7.448 -8.839 311 HD13 ILE 39 2HD1 ILE 39 -2.199 -6.247 -8.070 312 H LEU 40 H LEU 40 -2.063 -9.342 -2.652 313 HA LEU 40 HA LEU 40 0.312 -8.367 -1.150 314 HB2 LEU 40 2HB LEU 40 -2.606 -7.824 -0.524 315 HB3 LEU 40 1HB LEU 40 -1.226 -7.297 0.431 316 HG LEU 40 HG LEU 40 -1.723 -6.372 -2.420 317 HD11 LEU 40 1HD1 LEU 40 -3.583 -5.658 -1.036 318 HD12 LEU 40 2HD1 LEU 40 -2.558 -4.286 -1.460 319 HD13 LEU 40 3HD1 LEU 40 -2.469 -4.977 0.164 320 HD21 LEU 40 3HD2 LEU 40 0.150 -5.375 -0.253 321 HD22 LEU 40 1HD2 LEU 40 -0.119 -4.600 -1.816 322 HD23 LEU 40 2HD2 LEU 40 0.599 -6.206 -1.749 323 H ASN 41 H ASN 41 1.074 -10.105 -0.130 324 HA ASN 41 HA ASN 41 -0.514 -11.148 2.078 325 HB2 ASN 41 2HB ASN 41 0.863 -13.003 0.088 326 HB3 ASN 41 1HB ASN 41 0.452 -13.505 1.719 327 HD21 ASN 41 1HD2 ASN 41 -0.773 -12.825 -1.450 328 HD22 ASN 41 2HD2 ASN 41 -2.383 -13.376 -1.163 329 H SER 42 H SER 42 1.132 -12.574 3.493 330 HA SER 42 HA SER 42 2.667 -10.731 4.810 331 HB2 SER 42 3HB SER 42 3.126 -13.737 4.747 332 HB3 SER 42 2HB SER 42 3.788 -12.648 5.972 333 H MET 43 H MET 43 3.798 -12.765 2.198 334 HA MET 43 HA MET 43 6.560 -12.698 2.495 335 HB2 MET 43 2HB MET 43 5.056 -12.604 -0.153 336 HB3 MET 43 1HB MET 43 6.677 -13.230 0.100 337 HG2 MET 43 2HG MET 43 5.908 -15.203 1.062 338 HG3 MET 43 1HG MET 43 4.363 -14.483 1.536 339 HE1 MET 43 3HE MET 43 2.433 -13.828 -0.155 340 HE2 MET 43 1HE MET 43 2.453 -14.202 -1.880 341 HE3 MET 43 2HE MET 43 3.511 -12.945 -1.237 342 H ASN 44 H ASN 44 4.467 -10.415 0.727 343 HA ASN 44 HA ASN 44 6.812 -8.673 0.181 344 HB2 ASN 44 2HB ASN 44 5.778 -8.048 -1.910 345 HB3 ASN 44 1HB ASN 44 5.872 -9.794 -1.826 346 HD21 ASN 44 1HD2 ASN 44 4.184 -7.999 -3.452 347 HD22 ASN 44 2HD2 ASN 44 2.568 -8.501 -3.157 348 H ILE 45 H ILE 45 3.727 -8.795 1.674 349 HA ILE 45 HA ILE 45 2.911 -6.089 1.397 350 HB ILE 45 HB ILE 45 1.537 -8.210 2.077 351 HG12 ILE 45 2HG1 ILE 45 0.934 -5.602 3.544 352 HG13 ILE 45 1HG1 ILE 45 0.571 -5.892 1.845 353 HG21 ILE 45 1HG2 ILE 45 2.856 -8.810 4.087 354 HG22 ILE 45 2HG2 ILE 45 1.155 -8.555 4.476 355 HG23 ILE 45 3HG2 ILE 45 2.343 -7.312 4.870 356 HD11 ILE 45 3HD1 ILE 45 -0.574 -7.396 4.192 357 HD12 ILE 45 1HD1 ILE 45 -0.918 -7.734 2.490 358 HD13 ILE 45 2HD1 ILE 45 -1.405 -6.188 3.204 359 H VAL 46 H VAL 46 5.176 -7.646 3.516 360 HA VAL 46 HA VAL 46 5.249 -5.746 5.647 361 HB VAL 46 HB VAL 46 7.392 -7.729 4.770 362 HG11 VAL 46 1HG1 VAL 46 6.980 -6.336 7.444 363 HG12 VAL 46 2HG1 VAL 46 8.291 -6.026 6.303 364 HG13 VAL 46 3HG1 VAL 46 8.184 -7.586 7.118 365 HG21 VAL 46 3HG2 VAL 46 6.437 -9.282 6.413 366 HG22 VAL 46 1HG2 VAL 46 5.202 -8.832 5.233 367 HG23 VAL 46 2HG2 VAL 46 5.190 -8.108 6.844 368 H LYS 47 H LYS 47 6.606 -5.891 2.497 369 HA LYS 47 HA LYS 47 8.724 -3.988 2.846 370 HB2 LYS 47 2HB LYS 47 7.431 -5.162 0.361 371 HB3 LYS 47 1HB LYS 47 8.721 -3.966 0.285 372 HG2 LYS 47 2HG LYS 47 9.661 -6.164 -0.029 373 HG3 LYS 47 1HG LYS 47 10.216 -5.515 1.514 374 HD2 LYS 47 2HD LYS 47 8.607 -6.919 2.718 375 HD3 LYS 47 1HD LYS 47 7.937 -7.496 1.196 376 HE2 LYS 47 2HE LYS 47 9.446 -9.157 2.203 377 HE3 LYS 47 1HE LYS 47 10.069 -8.590 0.654 378 HZ1 LYS 47 3HZ LYS 47 10.964 -7.617 3.312 379 HZ2 LYS 47 1HZ LYS 47 11.600 -7.156 1.815 380 HZ3 LYS 47 2HZ LYS 47 11.782 -8.744 2.358 381 H LEU 48 H LEU 48 5.324 -3.867 2.064 382 HA LEU 48 HA LEU 48 5.224 -1.125 1.235 383 HB2 LEU 48 2HB LEU 48 3.070 -3.046 2.189 384 HB3 LEU 48 1HB LEU 48 2.712 -1.370 1.811 385 HG LEU 48 HG LEU 48 2.093 -2.678 -0.105 386 HD11 LEU 48 1HD1 LEU 48 4.726 -1.286 -0.754 387 HD12 LEU 48 2HD1 LEU 48 3.148 -0.508 -0.628 388 HD13 LEU 48 3HD1 LEU 48 3.443 -1.686 -1.902 389 HD21 LEU 48 3HD2 LEU 48 3.416 -4.712 0.302 390 HD22 LEU 48 1HD2 LEU 48 4.889 -3.866 -0.178 391 HD23 LEU 48 2HD2 LEU 48 3.605 -4.150 -1.356 392 H MET 49 H MET 49 5.075 -2.773 4.343 393 HA MET 49 HA MET 49 4.016 -0.712 5.970 394 HB2 MET 49 2HB MET 49 6.091 -2.779 6.825 395 HB3 MET 49 1HB MET 49 4.993 -1.902 7.881 396 HG2 MET 49 2HG MET 49 3.098 -3.108 7.018 397 HG3 MET 49 1HG MET 49 4.096 -3.869 5.772 398 HE1 MET 49 3HE MET 49 3.427 -6.964 8.073 399 HE2 MET 49 1HE MET 49 3.586 -6.433 6.396 400 HE3 MET 49 2HE MET 49 2.340 -5.737 7.429 401 H VAL 50 H VAL 50 7.389 -1.577 5.239 402 HA VAL 50 HA VAL 50 8.510 0.721 6.588 403 HB VAL 50 HB VAL 50 9.740 -1.427 6.469 404 HG11 VAL 50 1HG1 VAL 50 9.112 -2.181 4.224 405 HG12 VAL 50 2HG1 VAL 50 10.869 -2.140 4.385 406 HG13 VAL 50 3HG1 VAL 50 10.036 -0.860 3.497 407 HG21 VAL 50 3HG2 VAL 50 11.047 0.611 6.873 408 HG22 VAL 50 1HG2 VAL 50 11.230 0.861 5.135 409 HG23 VAL 50 2HG2 VAL 50 11.985 -0.531 5.911 410 H TYR 51 H TYR 51 7.417 0.022 3.338 411 HA TYR 51 HA TYR 51 8.739 2.050 1.889 412 HB2 TYR 51 2HB TYR 51 7.215 0.169 0.955 413 HB3 TYR 51 1HB TYR 51 5.864 1.197 1.363 414 HD1 TYR 51 HD1 TYR 51 9.104 1.313 -0.529 415 HD2 TYR 51 HD2 TYR 51 5.083 2.733 -0.275 416 HE1 TYR 51 HE1 TYR 51 9.377 2.472 -2.680 417 HE2 TYR 51 HE2 TYR 51 5.351 3.890 -2.414 418 HH TYR 51 HH TYR 51 7.891 3.321 -4.549 419 H ILE 52 H ILE 52 5.681 2.010 3.614 420 HA ILE 52 HA ILE 52 4.926 4.716 3.133 421 HB ILE 52 HB ILE 52 3.960 2.697 5.211 422 HG12 ILE 52 2HG1 ILE 52 2.576 3.462 2.606 423 HG13 ILE 52 1HG1 ILE 52 3.749 2.155 2.660 424 HG21 ILE 52 1HG2 ILE 52 1.941 4.076 5.425 425 HG22 ILE 52 2HG2 ILE 52 2.630 5.262 4.315 426 HG23 ILE 52 3HG2 ILE 52 3.379 4.986 5.887 427 HD11 ILE 52 3HD1 ILE 52 1.183 2.259 4.237 428 HD12 ILE 52 1HD1 ILE 52 2.355 0.934 4.202 429 HD13 ILE 52 2HD1 ILE 52 1.464 1.359 2.744 430 H ARG 53 H ARG 53 6.588 3.048 5.749 431 HA ARG 53 HA ARG 53 6.966 5.078 7.630 432 HB2 ARG 53 2HB ARG 53 7.480 2.705 8.024 433 HB3 ARG 53 1HB ARG 53 8.784 2.788 6.849 434 HG2 ARG 53 2HG ARG 53 10.043 4.313 8.308 435 HG3 ARG 53 1HG ARG 53 8.722 4.306 9.479 436 HD2 ARG 53 2HD ARG 53 9.039 1.818 9.727 437 HD3 ARG 53 1HD ARG 53 10.457 1.946 8.679 438 HE ARG 53 HE ARG 53 11.287 3.596 10.438 439 HH11 ARG 53 1HH1 ARG 53 9.284 0.827 11.257 440 HH12 ARG 53 2HH1 ARG 53 9.907 0.712 12.870 441 HH21 ARG 53 1HH2 ARG 53 12.067 3.453 12.546 442 HH22 ARG 53 2HH2 ARG 53 11.491 2.207 13.602 443 H ASP 54 H ASP 54 8.567 4.478 4.585 444 HA ASP 54 HA ASP 54 10.756 6.357 5.071 445 HB2 ASP 54 2HB ASP 54 11.219 4.220 3.951 446 HB3 ASP 54 1HB ASP 54 10.059 4.594 2.680 447 H GLU 55 H GLU 55 7.993 6.043 2.832 448 HA GLU 55 HA GLU 55 8.637 8.451 1.393 449 HB2 GLU 55 2HB GLU 55 6.104 6.767 1.215 450 HB3 GLU 55 1HB GLU 55 6.649 7.956 0.046 451 HG2 GLU 55 2HG GLU 55 8.113 5.388 0.690 452 HG3 GLU 55 1HG GLU 55 7.002 5.591 -0.657 453 H MET 56 H MET 56 5.822 7.445 3.375 454 HA MET 56 HA MET 56 4.876 10.212 3.620 455 HB2 MET 56 2HB MET 56 3.682 7.522 4.372 456 HB3 MET 56 1HB MET 56 2.952 9.030 4.922 457 HG2 MET 56 2HG MET 56 1.851 8.185 2.911 458 HG3 MET 56 1HG MET 56 2.619 9.741 2.621 459 HE1 MET 56 3HE MET 56 2.323 6.066 1.542 460 HE2 MET 56 1HE MET 56 3.784 5.904 2.518 461 HE3 MET 56 2HE MET 56 3.870 5.727 0.766 462 H GLY 57 H GLY 57 6.984 8.199 5.315 463 HA2 GLY 57 2HA GLY 57 8.181 8.588 7.235 464 HA3 GLY 57 1HA GLY 57 7.325 10.110 7.430 465 H VAL 58 H VAL 58 5.435 7.206 7.146 466 HA VAL 58 HA VAL 58 4.990 7.119 10.071 467 HB VAL 58 HB VAL 58 3.148 8.476 9.232 468 HG11 VAL 58 1HG1 VAL 58 2.556 6.302 7.210 469 HG12 VAL 58 2HG1 VAL 58 3.200 7.903 6.849 470 HG13 VAL 58 3HG1 VAL 58 1.561 7.739 7.488 471 HG21 VAL 58 3HG2 VAL 58 2.556 6.827 10.969 472 HG22 VAL 58 1HG2 VAL 58 2.127 5.667 9.711 473 HG23 VAL 58 2HG2 VAL 58 1.190 7.150 9.897 474 H SER 59 H SER 59 5.438 5.115 10.732 475 HA SER 59 HA SER 59 5.364 2.846 8.906 476 HB2 SER 59 2HB SER 59 7.241 3.240 10.604 477 HB3 SER 59 1HB SER 59 6.089 2.837 11.875 478 HG SER 59 HG SER 59 6.284 0.804 11.386 479 H ILE 60 H ILE 60 3.616 1.568 8.759 480 HA ILE 60 HA ILE 60 1.328 1.811 10.460 481 HB ILE 60 HB ILE 60 1.988 -0.204 8.263 482 HG12 ILE 60 2HG1 ILE 60 0.273 2.291 8.413 483 HG13 ILE 60 1HG1 ILE 60 1.498 1.880 7.225 484 HG21 ILE 60 1HG2 ILE 60 -0.598 -0.011 9.842 485 HG22 ILE 60 2HG2 ILE 60 0.572 -1.327 9.930 486 HG23 ILE 60 3HG2 ILE 60 -0.320 -1.046 8.438 487 HD11 ILE 60 3HD1 ILE 60 -1.236 0.629 7.469 488 HD12 ILE 60 1HD1 ILE 60 -0.018 0.232 6.245 489 HD13 ILE 60 2HD1 ILE 60 -0.736 1.844 6.284 490 HA PRO 61 HA PRO 61 2.952 -1.030 13.633 491 HB2 PRO 61 2HB PRO 61 0.660 -1.108 15.200 492 HB3 PRO 61 1HB PRO 61 1.828 0.226 15.239 493 HG2 PRO 61 2HG PRO 61 -0.768 0.057 13.764 494 HG3 PRO 61 1HG PRO 61 -0.098 1.404 14.716 495 HD2 PRO 61 2HD PRO 61 0.038 1.382 12.023 496 HD3 PRO 61 1HD PRO 61 1.344 2.072 13.008 497 H SER 62 H SER 62 2.369 -3.146 14.536 498 HA SER 62 HA SER 62 1.829 -4.916 12.385 499 HB2 SER 62 2HB SER 62 2.294 -6.689 14.117 500 HB3 SER 62 1HB SER 62 3.538 -5.448 14.001 501 HG SER 62 HG SER 62 1.837 -6.055 16.086 502 H THR 63 H THR 63 -0.112 -3.877 15.134 503 HA THR 63 HA THR 63 -2.187 -5.832 14.883 504 HB THR 63 HB THR 63 -1.757 -4.576 17.004 505 HG1 THR 63 HG1 THR 63 -3.872 -5.524 16.392 506 HG21 THR 63 3HG2 THR 63 -2.614 -2.303 17.317 507 HG22 THR 63 1HG2 THR 63 -3.070 -2.214 15.614 508 HG23 THR 63 2HG2 THR 63 -1.368 -2.314 16.068 509 H HIS 64 H HIS 64 -1.426 -2.918 13.235 510 HA HIS 64 HA HIS 64 -4.073 -2.444 12.078 511 HB2 HIS 64 2HB HIS 64 -2.513 -0.617 12.869 512 HB3 HIS 64 1HB HIS 64 -1.421 -1.050 11.565 513 HD1 HIS 64 HD1 HIS 64 -2.290 -0.533 9.126 514 HD2 HIS 64 HD2 HIS 64 -4.560 1.059 12.187 515 HE1 HIS 64 HE1 HIS 64 -3.560 1.334 8.084 516 HE2 HIS 64 HE2 HIS 64 -4.984 2.259 9.966 517 H ILE 65 H ILE 65 -1.472 -4.496 11.428 518 HA ILE 65 HA ILE 65 -1.643 -4.445 8.534 519 HB ILE 65 HB ILE 65 -0.414 -6.625 10.273 520 HG12 ILE 65 2HG1 ILE 65 0.668 -4.492 10.796 521 HG13 ILE 65 1HG1 ILE 65 1.766 -5.494 9.852 522 HG21 ILE 65 1HG2 ILE 65 -0.868 -7.345 7.956 523 HG22 ILE 65 2HG2 ILE 65 0.866 -7.215 8.236 524 HG23 ILE 65 3HG2 ILE 65 0.025 -5.955 7.330 525 HD11 ILE 65 3HD1 ILE 65 0.095 -3.239 8.757 526 HD12 ILE 65 1HD1 ILE 65 1.277 -4.202 7.863 527 HD13 ILE 65 2HD1 ILE 65 1.808 -3.152 9.182 528 H THR 66 H THR 66 -3.724 -4.843 7.979 529 HA THR 66 HA THR 66 -4.602 -7.594 8.135 530 HB THR 66 HB THR 66 -5.628 -6.713 10.182 531 HG1 THR 66 HG1 THR 66 -7.838 -7.159 9.649 532 HG21 THR 66 3HG2 THR 66 -6.913 -4.579 8.451 533 HG22 THR 66 1HG2 THR 66 -5.631 -4.318 9.640 534 HG23 THR 66 2HG2 THR 66 -7.232 -4.850 10.164 535 H GLY 67 H GLY 67 -6.801 -7.713 6.910 536 HA2 GLY 67 2HA GLY 67 -6.305 -7.201 4.239 537 HA3 GLY 67 1HA GLY 67 -7.861 -7.633 4.917 538 H LYS 68 H LYS 68 -8.725 -5.549 6.277 539 HA LYS 68 HA LYS 68 -9.833 -3.936 4.297 540 HB2 LYS 68 2HB LYS 68 -10.820 -2.649 6.130 541 HB3 LYS 68 1HB LYS 68 -10.920 -4.381 6.408 542 HG2 LYS 68 2HG LYS 68 -9.066 -4.277 8.012 543 HG3 LYS 68 1HG LYS 68 -8.863 -2.550 7.708 544 HD2 LYS 68 2HD LYS 68 -11.318 -3.876 8.914 545 HD3 LYS 68 1HD LYS 68 -10.109 -2.945 9.797 546 HE2 LYS 68 2HE LYS 68 -10.745 -0.911 8.614 547 HE3 LYS 68 1HE LYS 68 -11.864 -1.808 7.589 548 HZ1 LYS 68 3HZ LYS 68 -13.069 -2.389 9.695 549 HZ2 LYS 68 1HZ LYS 68 -13.126 -0.764 9.242 550 HZ3 LYS 68 2HZ LYS 68 -12.100 -1.255 10.484 551 H TYR 69 H TYR 69 -6.888 -3.312 6.106 552 HA TYR 69 HA TYR 69 -6.891 -0.442 5.479 553 HB2 TYR 69 2HB TYR 69 -5.019 -2.122 7.175 554 HB3 TYR 69 1HB TYR 69 -4.835 -0.387 6.915 555 HD1 TYR 69 HD2 TYR 69 -7.711 0.514 7.098 556 HD2 TYR 69 HD1 TYR 69 -5.520 -2.239 9.521 557 HE1 TYR 69 HE2 TYR 69 -9.194 0.999 8.979 558 HE2 TYR 69 HE1 TYR 69 -7.013 -1.752 11.407 559 HH TYR 69 HH TYR 69 -8.534 0.100 12.152 560 H PHE 70 H PHE 70 -5.626 -3.323 4.182 561 HA PHE 70 HA PHE 70 -3.748 -1.816 2.438 562 HB2 PHE 70 2HB PHE 70 -3.643 -4.657 3.490 563 HB3 PHE 70 1HB PHE 70 -2.787 -4.222 2.015 564 HD1 PHE 70 HD2 PHE 70 -2.997 -3.467 5.677 565 HD2 PHE 70 HD1 PHE 70 -0.697 -2.997 2.094 566 HE1 PHE 70 HE2 PHE 70 -1.105 -2.606 6.995 567 HE2 PHE 70 HE1 PHE 70 1.191 -2.136 3.425 568 HZ PHE 70 HZ PHE 70 0.992 -1.949 5.877 569 H LYS 71 H LYS 71 -6.761 -2.969 2.459 570 HA LYS 71 HA LYS 71 -7.169 -4.880 0.588 571 HB2 LYS 71 2HB LYS 71 -8.741 -3.602 2.313 572 HB3 LYS 71 1HB LYS 71 -9.207 -2.680 0.887 573 HG2 LYS 71 2HG LYS 71 -9.908 -4.767 -0.226 574 HG3 LYS 71 1HG LYS 71 -9.380 -5.686 1.190 575 HD2 LYS 71 2HD LYS 71 -11.807 -5.392 1.282 576 HD3 LYS 71 1HD LYS 71 -11.053 -4.472 2.587 577 HE2 LYS 71 2HE LYS 71 -12.838 -3.161 1.536 578 HE3 LYS 71 1HE LYS 71 -11.277 -2.402 1.213 579 HZ1 LYS 71 3HZ LYS 71 -11.270 -3.403 -0.969 580 HZ2 LYS 71 1HZ LYS 71 -12.670 -2.484 -0.753 581 HZ3 LYS 71 2HZ LYS 71 -12.750 -4.169 -0.670 582 H ASP 72 H ASP 72 -7.207 -1.428 0.033 583 HA ASP 72 HA ASP 72 -7.011 -1.750 -2.892 584 HB2 ASP 72 2HB ASP 72 -8.924 0.086 -1.366 585 HB3 ASP 72 1HB ASP 72 -8.463 0.393 -3.027 586 H LEU 73 H LEU 73 -6.345 0.346 -3.864 587 HA LEU 73 HA LEU 73 -4.108 1.452 -2.415 588 HB2 LEU 73 2HB LEU 73 -4.046 1.066 -4.862 589 HB3 LEU 73 1HB LEU 73 -5.310 2.270 -5.081 590 HG LEU 73 HG LEU 73 -3.814 4.051 -4.275 591 HD11 LEU 73 1HD1 LEU 73 -2.562 2.750 -2.601 592 HD12 LEU 73 2HD1 LEU 73 -1.472 3.588 -3.694 593 HD13 LEU 73 3HD1 LEU 73 -1.746 1.861 -3.892 594 HD21 LEU 73 3HD2 LEU 73 -2.472 2.340 -6.404 595 HD22 LEU 73 1HD2 LEU 73 -2.152 4.049 -6.100 596 HD23 LEU 73 2HD2 LEU 73 -3.735 3.542 -6.683 597 H ASN 74 H ASN 74 -7.308 2.595 -3.459 598 HA ASN 74 HA ASN 74 -7.269 5.111 -2.175 599 HB2 ASN 74 2HB ASN 74 -9.791 4.925 -2.232 600 HB3 ASN 74 1HB ASN 74 -9.011 4.655 -3.781 601 HD21 ASN 74 1HD2 ASN 74 -9.163 2.672 -4.762 602 HD22 ASN 74 2HD2 ASN 74 -10.165 1.387 -4.167 603 H ALA 75 H ALA 75 -8.051 1.856 -0.958 604 HA ALA 75 HA ALA 75 -9.070 2.566 1.573 605 HB1 ALA 75 3HB ALA 75 -9.306 0.308 0.650 606 HB2 ALA 75 1HB ALA 75 -8.589 0.263 2.262 607 HB3 ALA 75 2HB ALA 75 -7.572 0.045 0.835 608 H ILE 76 H ILE 76 -5.739 1.727 0.622 609 HA ILE 76 HA ILE 76 -4.493 2.150 3.129 610 HB ILE 76 HB ILE 76 -3.317 2.332 0.313 611 HG12 ILE 76 2HG1 ILE 76 -3.165 0.094 2.362 612 HG13 ILE 76 1HG1 ILE 76 -4.214 0.091 0.950 613 HG21 ILE 76 1HG2 ILE 76 -1.067 2.123 1.324 614 HG22 ILE 76 2HG2 ILE 76 -1.776 2.213 2.937 615 HG23 ILE 76 3HG2 ILE 76 -1.866 3.603 1.853 616 HD11 ILE 76 3HD1 ILE 76 -1.203 0.020 0.960 617 HD12 ILE 76 1HD1 ILE 76 -2.220 0.084 -0.489 618 HD13 ILE 76 2HD1 ILE 76 -2.317 -1.301 0.594 619 H SER 77 H SER 77 -5.044 4.299 0.361 620 HA SER 77 HA SER 77 -3.529 6.508 1.157 621 HB2 SER 77 2HB SER 77 -4.607 6.240 -1.094 622 HB3 SER 77 1HB SER 77 -6.180 6.552 -0.362 623 HG SER 77 HG SER 77 -5.210 8.616 0.341 624 H ARG 78 H ARG 78 -6.998 5.931 1.664 625 HA ARG 78 HA ARG 78 -7.541 8.265 3.133 626 HB2 ARG 78 2HB ARG 78 -8.983 5.589 3.089 627 HB3 ARG 78 1HB ARG 78 -9.630 7.047 3.848 628 HG2 ARG 78 2HG ARG 78 -9.099 6.587 0.902 629 HG3 ARG 78 1HG ARG 78 -10.656 6.852 1.687 630 HD2 ARG 78 2HD ARG 78 -8.416 8.894 1.368 631 HD3 ARG 78 1HD ARG 78 -9.968 8.890 0.519 632 HE ARG 78 HE ARG 78 -11.011 9.174 2.783 633 HH11 ARG 78 1HH1 ARG 78 -7.779 10.333 2.192 634 HH12 ARG 78 2HH1 ARG 78 -7.854 11.559 3.411 635 HH21 ARG 78 1HH2 ARG 78 -11.110 10.770 4.402 636 HH22 ARG 78 2HH2 ARG 78 -9.749 11.804 4.663 637 H THR 79 H THR 79 -6.587 5.046 4.146 638 HA THR 79 HA THR 79 -6.972 5.477 6.944 639 HB THR 79 HB THR 79 -5.443 3.275 5.507 640 HG1 THR 79 HG1 THR 79 -7.405 2.646 5.045 641 HG21 THR 79 3HG2 THR 79 -4.794 3.433 7.901 642 HG22 THR 79 1HG2 THR 79 -5.739 1.980 7.573 643 HG23 THR 79 2HG2 THR 79 -6.499 3.363 8.356 644 H VAL 80 H VAL 80 -4.176 5.742 4.790 645 HA VAL 80 HA VAL 80 -2.214 5.833 6.903 646 HB VAL 80 HB VAL 80 -1.685 4.994 4.560 647 HG11 VAL 80 1HG1 VAL 80 -1.648 7.937 3.790 648 HG12 VAL 80 2HG1 VAL 80 -2.772 6.719 3.189 649 HG13 VAL 80 3HG1 VAL 80 -1.056 6.603 2.799 650 HG21 VAL 80 3HG2 VAL 80 0.589 5.947 4.507 651 HG22 VAL 80 1HG2 VAL 80 0.091 5.523 6.145 652 HG23 VAL 80 2HG2 VAL 80 0.085 7.211 5.633 653 H GLU 81 H GLU 81 -4.084 8.135 5.076 654 HA GLU 81 HA GLU 81 -2.823 10.534 5.927 655 HB2 GLU 81 2HB GLU 81 -5.646 9.957 4.953 656 HB3 GLU 81 1HB GLU 81 -5.022 11.583 5.219 657 HG2 GLU 81 2HG GLU 81 -3.324 11.264 3.513 658 HG3 GLU 81 1HG GLU 81 -3.817 9.587 3.291 659 H GLN 82 H GLN 82 -5.327 8.460 7.327 660 HA GLN 82 HA GLN 82 -6.030 10.146 9.534 661 HB2 GLN 82 2HB GLN 82 -6.121 7.107 9.548 662 HB3 GLN 82 1HB GLN 82 -7.045 8.199 10.571 663 HG2 GLN 82 2HG GLN 82 -7.390 7.694 7.619 664 HG3 GLN 82 1HG GLN 82 -8.496 7.266 8.910 665 HE21 GLN 82 1HE2 GLN 82 -7.349 9.794 6.825 666 HE22 GLN 82 2HE2 GLN 82 -8.536 10.981 7.237 667 H LEU 83 H LEU 83 -3.650 7.559 9.096 668 HA LEU 83 HA LEU 83 -2.668 7.367 11.724 669 HB2 LEU 83 2HB LEU 83 -1.209 6.861 9.105 670 HB3 LEU 83 1HB LEU 83 -0.652 6.321 10.683 671 HG LEU 83 HG LEU 83 -3.236 5.395 9.352 672 HD11 LEU 83 1HD1 LEU 83 -1.262 4.576 8.148 673 HD12 LEU 83 2HD1 LEU 83 -2.071 3.265 9.004 674 HD13 LEU 83 3HD1 LEU 83 -0.583 3.955 9.656 675 HD21 LEU 83 3HD2 LEU 83 -3.292 3.684 11.138 676 HD22 LEU 83 1HD2 LEU 83 -3.394 5.310 11.809 677 HD23 LEU 83 2HD2 LEU 83 -1.875 4.416 11.893 678 H LYS 84 H LYS 84 -1.572 9.449 9.049 679 HA LYS 84 HA LYS 84 0.541 10.727 10.473 680 HB2 LYS 84 2HB LYS 84 -1.119 11.746 8.126 681 HB3 LYS 84 1HB LYS 84 0.355 12.510 8.710 682 HG2 LYS 84 2HG LYS 84 1.661 10.525 8.096 683 HG3 LYS 84 1HG LYS 84 0.197 9.702 7.551 684 HD2 LYS 84 2HD LYS 84 1.348 12.256 6.353 685 HD3 LYS 84 1HD LYS 84 1.472 10.645 5.651 686 HE2 LYS 84 2HE LYS 84 -0.913 10.545 5.280 687 HE3 LYS 84 1HE LYS 84 -1.172 12.033 6.187 688 HZ1 LYS 84 3HZ LYS 84 -1.294 12.425 3.830 689 HZ2 LYS 84 1HZ LYS 84 0.267 11.821 3.596 690 HZ3 LYS 84 2HZ LYS 84 0.033 13.237 4.477 691 H ALA 85 H ALA 85 -2.905 11.390 10.162 692 HA ALA 85 HA ALA 85 -2.960 13.951 11.400 693 HB1 ALA 85 3HB ALA 85 -4.736 13.140 9.885 694 HB2 ALA 85 1HB ALA 85 -5.399 13.632 11.449 695 HB3 ALA 85 2HB ALA 85 -5.187 11.920 11.075 696 H GLU 86 H GLU 86 -3.148 10.686 12.644 697 HA GLU 86 HA GLU 86 -4.011 11.497 15.308 698 HB2 GLU 86 2HB GLU 86 -3.257 8.770 14.186 699 HB3 GLU 86 1HB GLU 86 -3.932 9.048 15.786 700 HG2 GLU 86 2HG GLU 86 -5.351 9.758 13.205 701 HG3 GLU 86 1HG GLU 86 -5.580 8.247 14.068 702 H SER 87 H SER 87 -1.044 10.306 13.740 703 HA SER 87 HA SER 87 0.550 10.137 16.092 704 HB2 SER 87 2HB SER 87 1.361 10.518 13.178 705 HB3 SER 87 1HB SER 87 2.508 10.215 14.491 706 HG SER 87 HG SER 87 0.431 8.517 13.569 707 H ALA 88 H ALA 88 0.287 12.743 13.634 708 HA ALA 88 HA ALA 88 1.988 14.549 15.153 709 HB1 ALA 88 3HB ALA 88 1.543 16.146 13.329 710 HB2 ALA 88 1HB ALA 88 0.337 15.045 12.657 711 HB3 ALA 88 2HB ALA 88 2.035 14.570 12.706 712 H LEU 89 H LEU 89 1.335 16.121 16.525 713 HA LEU 89 HA LEU 89 -1.375 16.240 17.474 714 HB2 LEU 89 2HB LEU 89 -0.553 17.719 19.219 715 HB3 LEU 89 1HB LEU 89 0.465 16.326 19.045 716 HG LEU 89 HG LEU 89 2.111 17.884 19.470 717 HD11 LEU 89 1HD1 LEU 89 2.742 17.095 17.261 718 HD12 LEU 89 2HD1 LEU 89 3.282 18.754 17.515 719 HD13 LEU 89 3HD1 LEU 89 1.865 18.433 16.513 720 HD21 LEU 89 3HD2 LEU 89 2.051 20.298 19.006 721 HD22 LEU 89 1HD2 LEU 89 0.603 19.781 19.872 722 HD23 LEU 89 2HD2 LEU 89 0.528 20.108 18.141 723 H GLU 90 H GLU 90 -2.110 16.879 15.212 724 HA GLU 90 HA GLU 90 -1.862 19.726 14.551 725 HB2 GLU 90 2HB GLU 90 -3.223 19.068 12.507 726 HB3 GLU 90 1HB GLU 90 -1.613 18.378 12.633 727 HG2 GLU 90 2HG GLU 90 -2.556 16.231 13.350 728 HG3 GLU 90 1HG GLU 90 -4.184 16.913 13.332 729 H281 4EM 101 2H28 PYA 142 0.131 -11.161 7.064 730 H283 4EM 101 3H28 PYA 142 0.989 -9.884 7.922 731 H303 4EM 101 3H30 PYA 142 -1.862 -12.293 10.004 732 H301 4EM 101 1H30 PYA 142 -0.352 -13.034 9.451 733 H302 4EM 101 2H30 PYA 142 -1.591 -12.549 8.283 734 H312 4EM 101 2H31 PYA 142 -2.336 -9.901 9.538 735 H313 4EM 101 3H31 PYA 142 -1.159 -8.897 8.704 736 H311 4EM 101 1H31 PYA 142 -2.029 -10.152 7.816 737 H32 4EM 101 H32 PYA 142 1.003 -11.185 10.664 738 H33 4EM 101 H33 PYA 142 1.103 -8.921 11.201 739 H36 4EM 101 H36 PYA 142 -1.448 -8.706 11.120 740 H373 4EM 101 3H37 PYA 142 -2.711 -10.137 13.380 741 H372 4EM 101 2H37 PYA 142 -2.164 -8.468 13.511 742 H382 4EM 101 2H38 PYA 142 -3.758 -7.819 11.738 743 H383 4EM 101 3H38 PYA 142 -4.527 -8.457 13.178 744 H41 4EM 101 H41 PYA 142 -4.367 -8.713 9.719 745 H423 4EM 101 3H42 PYA 142 -5.986 -9.673 8.365 746 H422 4EM 101 2H42 PYA 142 -6.605 -10.575 9.733 747 H433 4EM 101 3H43 PYA 142 -5.909 -12.140 8.098 748 H432 4EM 101 2H43 PYA 142 -4.753 -12.206 9.417 749 H44 4EM 101 H44 PYA 142 -3.255 -11.885 7.990 750 H49 4EM 101 H49 PYA 142 -3.285 -8.942 4.681 751 H51 4EM 101 H51 PYA 142 -0.920 -9.654 3.780 752 H50 4EM 101 H50 PYA 142 -0.216 -11.837 4.996 753 H48 4EM 101 H48 PYA 142 -2.125 -12.432 6.606 Start of MODEL 10 1 H1 MET 1 1H MET 1 6.088 15.096 -5.572 2 H2 MET 1 2H MET 1 5.924 13.613 -4.775 3 H3 MET 1 3H MET 1 7.459 14.218 -5.133 4 HA MET 1 HA MET 1 6.959 14.486 -2.831 5 HB2 MET 1 2HB MET 1 7.480 16.866 -2.626 6 HB3 MET 1 1HB MET 1 8.390 16.170 -3.954 7 HG2 MET 1 2HG MET 1 6.859 17.195 -5.578 8 HG3 MET 1 1HG MET 1 5.862 17.830 -4.270 9 HE1 MET 1 3HE MET 1 8.302 20.470 -2.626 10 HE2 MET 1 1HE MET 1 8.178 18.770 -2.169 11 HE3 MET 1 2HE MET 1 6.723 19.697 -2.527 12 H ASP 2 H ASP 2 4.219 14.912 -4.794 13 HA ASP 2 HA ASP 2 2.644 16.125 -2.594 14 HB2 ASP 2 2HB ASP 2 0.922 16.637 -4.155 15 HB3 ASP 2 1HB ASP 2 2.413 17.006 -5.001 16 H GLY 3 H GLY 3 0.367 15.112 -2.395 17 HA2 GLY 3 2HA GLY 3 0.863 12.551 -1.212 18 HA3 GLY 3 1HA GLY 3 -0.635 13.463 -1.170 19 H GLU 4 H GLU 4 -0.667 13.546 -4.208 20 HA GLU 4 HA GLU 4 -1.980 10.955 -4.556 21 HB2 GLU 4 2HB GLU 4 -1.801 13.337 -6.432 22 HB3 GLU 4 1HB GLU 4 -2.801 11.906 -6.699 23 HG2 GLU 4 2HG GLU 4 -4.079 12.406 -4.647 24 HG3 GLU 4 1HG GLU 4 -3.068 13.818 -4.355 25 H GLU 5 H GLU 5 0.976 12.513 -5.461 26 HA GLU 5 HA GLU 5 1.848 10.689 -7.463 27 HB2 GLU 5 2HB GLU 5 2.974 12.890 -7.076 28 HB3 GLU 5 1HB GLU 5 3.522 12.318 -5.503 29 HG2 GLU 5 2HG GLU 5 4.676 10.402 -6.841 30 HG3 GLU 5 1HG GLU 5 4.419 11.434 -8.248 31 H VAL 6 H VAL 6 2.186 10.764 -3.886 32 HA VAL 6 HA VAL 6 3.975 8.553 -3.759 33 HB VAL 6 HB VAL 6 3.599 8.407 -1.388 34 HG11 VAL 6 1HG1 VAL 6 4.052 10.723 -0.671 35 HG12 VAL 6 2HG1 VAL 6 3.544 11.312 -2.257 36 HG13 VAL 6 3HG1 VAL 6 4.972 10.281 -2.113 37 HG21 VAL 6 3HG2 VAL 6 1.182 10.223 -1.712 38 HG22 VAL 6 1HG2 VAL 6 1.850 9.666 -0.175 39 HG23 VAL 6 2HG2 VAL 6 1.137 8.511 -1.301 40 H LYS 7 H LYS 7 0.509 8.783 -3.947 41 HA LYS 7 HA LYS 7 -0.166 6.153 -3.172 42 HB2 LYS 7 2HB LYS 7 -1.629 8.105 -4.977 43 HB3 LYS 7 1HB LYS 7 -2.310 6.583 -4.416 44 HG2 LYS 7 2HG LYS 7 -1.987 7.444 -2.043 45 HG3 LYS 7 1HG LYS 7 -1.597 9.013 -2.757 46 HD2 LYS 7 2HD LYS 7 -4.208 7.479 -3.013 47 HD3 LYS 7 1HD LYS 7 -3.948 8.987 -2.139 48 HE2 LYS 7 2HE LYS 7 -3.524 10.159 -4.253 49 HE3 LYS 7 1HE LYS 7 -3.707 8.651 -5.151 50 HZ1 LYS 7 3HZ LYS 7 -5.994 8.536 -4.488 51 HZ2 LYS 7 1HZ LYS 7 -5.701 10.043 -5.188 52 HZ3 LYS 7 2HZ LYS 7 -5.845 9.906 -3.513 53 H GLU 8 H GLU 8 0.315 7.558 -6.452 54 HA GLU 8 HA GLU 8 -0.054 5.118 -7.838 55 HB2 GLU 8 2HB GLU 8 0.905 6.185 -9.796 56 HB3 GLU 8 1HB GLU 8 -0.133 7.340 -8.972 57 HG2 GLU 8 2HG GLU 8 1.806 8.473 -8.031 58 HG3 GLU 8 1HG GLU 8 2.888 7.282 -8.748 59 H LYS 9 H LYS 9 2.776 6.576 -6.301 60 HA LYS 9 HA LYS 9 4.702 4.738 -7.326 61 HB2 LYS 9 2HB LYS 9 4.843 6.498 -4.857 62 HB3 LYS 9 1HB LYS 9 6.199 5.594 -5.526 63 HG2 LYS 9 2HG LYS 9 5.946 6.908 -7.651 64 HG3 LYS 9 1HG LYS 9 4.726 7.892 -6.842 65 HD2 LYS 9 2HD LYS 9 7.672 7.647 -6.153 66 HD3 LYS 9 1HD LYS 9 6.816 9.075 -6.731 67 HE2 LYS 9 2HE LYS 9 5.531 9.130 -4.602 68 HE3 LYS 9 1HE LYS 9 6.465 7.750 -4.015 69 HZ1 LYS 9 3HZ LYS 9 7.513 10.446 -4.710 70 HZ2 LYS 9 1HZ LYS 9 8.485 9.122 -4.294 71 HZ3 LYS 9 2HZ LYS 9 7.404 9.759 -3.165 72 H ILE 10 H ILE 10 2.447 4.522 -4.652 73 HA ILE 10 HA ILE 10 3.612 2.238 -3.386 74 HB ILE 10 HB ILE 10 0.641 2.918 -3.606 75 HG12 ILE 10 2HG1 ILE 10 1.764 4.794 -2.562 76 HG13 ILE 10 1HG1 ILE 10 0.896 3.913 -1.315 77 HG21 ILE 10 1HG2 ILE 10 0.375 1.534 -1.560 78 HG22 ILE 10 2HG2 ILE 10 2.081 1.088 -1.658 79 HG23 ILE 10 3HG2 ILE 10 0.964 0.598 -2.932 80 HD11 ILE 10 3HD1 ILE 10 3.048 4.628 -0.496 81 HD12 ILE 10 1HD1 ILE 10 3.870 3.832 -1.836 82 HD13 ILE 10 2HD1 ILE 10 3.031 2.870 -0.611 83 H ARG 11 H ARG 11 1.218 2.670 -5.959 84 HA ARG 11 HA ARG 11 0.691 -0.095 -6.444 85 HB2 ARG 11 2HB ARG 11 0.280 2.208 -8.395 86 HB3 ARG 11 1HB ARG 11 -0.554 0.653 -8.399 87 HG2 ARG 11 2HG ARG 11 -0.785 2.848 -6.337 88 HG3 ARG 11 1HG ARG 11 -2.010 2.362 -7.509 89 HD2 ARG 11 2HD ARG 11 -0.952 0.463 -5.395 90 HD3 ARG 11 1HD ARG 11 -2.296 1.556 -5.106 91 HE ARG 11 HE ARG 11 -2.832 0.097 -7.450 92 HH11 ARG 11 1HH1 ARG 11 -2.587 -0.408 -3.998 93 HH12 ARG 11 2HH1 ARG 11 -3.711 -1.724 -3.983 94 HH21 ARG 11 1HH2 ARG 11 -4.353 -1.598 -7.418 95 HH22 ARG 11 2HH2 ARG 11 -4.716 -2.400 -5.921 96 H ARG 12 H ARG 12 2.963 2.201 -7.773 97 HA ARG 12 HA ARG 12 4.016 0.572 -9.841 98 HB2 ARG 12 2HB ARG 12 5.266 2.880 -8.301 99 HB3 ARG 12 1HB ARG 12 6.035 2.105 -9.676 100 HG2 ARG 12 2HG ARG 12 3.467 3.708 -9.657 101 HG3 ARG 12 1HG ARG 12 4.992 4.147 -10.420 102 HD2 ARG 12 2HD ARG 12 3.248 1.802 -11.225 103 HD3 ARG 12 1HD ARG 12 3.280 3.368 -12.042 104 HE ARG 12 HE ARG 12 5.896 2.262 -11.908 105 HH11 ARG 12 1HH1 ARG 12 2.879 1.861 -13.671 106 HH12 ARG 12 2HH1 ARG 12 3.648 1.201 -15.075 107 HH21 ARG 12 1HH2 ARG 12 6.874 1.349 -13.738 108 HH22 ARG 12 2HH2 ARG 12 5.909 0.914 -15.108 109 H TYR 13 H TYR 13 5.289 1.367 -6.616 110 HA TYR 13 HA TYR 13 7.485 -0.276 -6.478 111 HB2 TYR 13 2HB TYR 13 6.999 1.368 -4.763 112 HB3 TYR 13 1HB TYR 13 5.549 0.510 -4.278 113 HD1 TYR 13 HD1 TYR 13 9.241 -0.168 -4.630 114 HD2 TYR 13 HD2 TYR 13 5.723 -0.733 -2.276 115 HE1 TYR 13 HE1 TYR 13 10.576 -1.304 -2.910 116 HE2 TYR 13 HE2 TYR 13 7.057 -1.872 -0.556 117 HH TYR 13 HH TYR 13 10.431 -1.765 -0.464 118 H ILE 14 H ILE 14 4.152 -1.216 -5.781 119 HA ILE 14 HA ILE 14 4.594 -3.865 -4.906 120 HB ILE 14 HB ILE 14 2.162 -2.686 -6.330 121 HG12 ILE 14 2HG1 ILE 14 2.594 -3.167 -3.342 122 HG13 ILE 14 1HG1 ILE 14 2.833 -1.609 -4.118 123 HG21 ILE 14 1HG2 ILE 14 0.909 -4.617 -5.368 124 HG22 ILE 14 2HG2 ILE 14 2.433 -5.291 -4.774 125 HG23 ILE 14 3HG2 ILE 14 2.145 -5.131 -6.508 126 HD11 ILE 14 3HD1 ILE 14 0.708 -1.675 -3.022 127 HD12 ILE 14 1HD1 ILE 14 0.246 -3.130 -3.900 128 HD13 ILE 14 2HD1 ILE 14 0.454 -1.603 -4.766 129 H MET 15 H MET 15 3.618 -2.682 -8.170 130 HA MET 15 HA MET 15 3.964 -5.113 -9.538 131 HB2 MET 15 2HB MET 15 3.725 -2.211 -10.319 132 HB3 MET 15 1HB MET 15 4.281 -3.339 -11.555 133 HG2 MET 15 2HG MET 15 1.722 -3.599 -9.964 134 HG3 MET 15 1HG MET 15 1.858 -3.062 -11.641 135 HE1 MET 15 3HE MET 15 0.374 -6.768 -11.912 136 HE2 MET 15 1HE MET 15 0.055 -5.069 -12.263 137 HE3 MET 15 2HE MET 15 0.052 -5.642 -10.591 138 H GLU 16 H GLU 16 6.208 -2.325 -9.580 139 HA GLU 16 HA GLU 16 8.256 -3.263 -11.087 140 HB2 GLU 16 2HB GLU 16 8.601 -1.469 -8.658 141 HB3 GLU 16 1HB GLU 16 9.710 -1.604 -10.018 142 HG2 GLU 16 2HG GLU 16 6.935 -0.407 -10.014 143 HG3 GLU 16 1HG GLU 16 8.460 0.434 -10.227 144 H ASP 17 H ASP 17 7.978 -3.588 -7.547 145 HA ASP 17 HA ASP 17 10.493 -5.137 -7.470 146 HB2 ASP 17 2HB ASP 17 9.000 -3.678 -5.257 147 HB3 ASP 17 1HB ASP 17 10.450 -4.644 -5.006 148 H LEU 18 H LEU 18 7.248 -5.174 -5.922 149 HA LEU 18 HA LEU 18 7.765 -7.687 -4.637 150 HB2 LEU 18 2HB LEU 18 5.232 -6.042 -4.835 151 HB3 LEU 18 1HB LEU 18 5.328 -7.537 -3.933 152 HG LEU 18 HG LEU 18 5.593 -5.861 -2.290 153 HD11 LEU 18 1HD1 LEU 18 7.304 -7.633 -2.028 154 HD12 LEU 18 2HD1 LEU 18 7.848 -6.090 -1.383 155 HD13 LEU 18 3HD1 LEU 18 8.462 -6.652 -2.938 156 HD21 LEU 18 3HD2 LEU 18 7.085 -3.931 -2.412 157 HD22 LEU 18 1HD2 LEU 18 5.930 -3.917 -3.739 158 HD23 LEU 18 2HD2 LEU 18 7.601 -4.403 -4.032 159 H ILE 19 H ILE 19 5.984 -6.839 -7.560 160 HA ILE 19 HA ILE 19 5.369 -9.633 -8.152 161 HB ILE 19 HB ILE 19 4.983 -7.058 -9.737 162 HG12 ILE 19 2HG1 ILE 19 2.585 -7.654 -9.723 163 HG13 ILE 19 1HG1 ILE 19 2.946 -9.148 -8.889 164 HG21 ILE 19 1HG2 ILE 19 4.007 -8.372 -11.604 165 HG22 ILE 19 2HG2 ILE 19 4.519 -9.862 -10.806 166 HG23 ILE 19 3HG2 ILE 19 5.725 -8.707 -11.382 167 HD11 ILE 19 3HD1 ILE 19 3.258 -6.381 -7.784 168 HD12 ILE 19 1HD1 ILE 19 3.633 -7.878 -6.928 169 HD13 ILE 19 2HD1 ILE 19 1.974 -7.532 -7.412 170 H GLY 20 H GLY 20 7.403 -7.075 -9.586 171 HA2 GLY 20 2HA GLY 20 9.829 -7.742 -9.948 172 HA3 GLY 20 1HA GLY 20 9.174 -9.125 -10.820 173 HA PRO 21 HA PRO 21 9.922 -5.460 -13.751 174 HB2 PRO 21 2HB PRO 21 11.548 -6.780 -15.546 175 HB3 PRO 21 1HB PRO 21 12.173 -5.984 -14.089 176 HG2 PRO 21 2HG PRO 21 11.557 -8.889 -14.520 177 HG3 PRO 21 1HG PRO 21 12.981 -8.135 -13.763 178 HD2 PRO 21 2HD PRO 21 10.974 -9.162 -12.265 179 HD3 PRO 21 1HD PRO 21 11.877 -7.714 -11.759 180 H SER 22 H SER 22 8.872 -8.769 -14.104 181 HA SER 22 HA SER 22 7.562 -8.373 -16.694 182 HB2 SER 22 2HB SER 22 7.498 -10.765 -14.809 183 HB3 SER 22 1HB SER 22 6.959 -10.737 -16.491 184 HG SER 22 HG SER 22 9.393 -9.847 -16.564 185 H ALA 23 H ALA 23 6.752 -6.728 -14.379 186 HA ALA 23 HA ALA 23 4.283 -7.471 -13.242 187 HB1 ALA 23 3HB ALA 23 5.402 -4.716 -13.846 188 HB2 ALA 23 1HB ALA 23 5.690 -5.657 -12.378 189 HB3 ALA 23 2HB ALA 23 4.065 -5.075 -12.748 190 H LYS 24 H LYS 24 2.539 -7.973 -14.418 191 HA LYS 24 HA LYS 24 1.898 -6.861 -16.977 192 HB2 LYS 24 2HB LYS 24 0.178 -8.486 -15.056 193 HB3 LYS 24 1HB LYS 24 -0.271 -8.074 -16.711 194 HG2 LYS 24 2HG LYS 24 1.784 -9.329 -17.487 195 HG3 LYS 24 1HG LYS 24 2.010 -9.869 -15.821 196 HD2 LYS 24 2HD LYS 24 -0.390 -10.441 -17.600 197 HD3 LYS 24 1HD LYS 24 0.866 -11.588 -17.143 198 HE2 LYS 24 2HE LYS 24 0.153 -11.401 -14.779 199 HE3 LYS 24 1HE LYS 24 -1.126 -10.283 -15.259 200 HZ1 LYS 24 3HZ LYS 24 -0.864 -13.109 -16.134 201 HZ2 LYS 24 1HZ LYS 24 -2.076 -12.039 -16.626 202 HZ3 LYS 24 2HZ LYS 24 -1.969 -12.508 -15.009 203 H GLU 25 H GLU 25 2.028 -4.691 -16.573 204 HA GLU 25 HA GLU 25 0.711 -3.109 -14.680 205 HB2 GLU 25 2HB GLU 25 1.202 -1.249 -16.297 206 HB3 GLU 25 1HB GLU 25 2.571 -2.297 -15.982 207 HG2 GLU 25 2HG GLU 25 1.947 -3.561 -18.122 208 HG3 GLU 25 1HG GLU 25 0.852 -2.222 -18.462 209 H ASP 26 H ASP 26 -0.438 -4.563 -17.584 210 HA ASP 26 HA ASP 26 -2.656 -3.027 -18.264 211 HB2 ASP 26 2HB ASP 26 -2.343 -6.055 -18.492 212 HB3 ASP 26 1HB ASP 26 -3.492 -5.071 -19.396 213 H GLU 27 H GLU 27 -2.097 -5.126 -15.635 214 HA GLU 27 HA GLU 27 -4.912 -5.579 -14.932 215 HB2 GLU 27 2HB GLU 27 -2.381 -6.577 -13.571 216 HB3 GLU 27 1HB GLU 27 -4.007 -7.211 -13.390 217 HG2 GLU 27 2HG GLU 27 -2.261 -7.400 -15.860 218 HG3 GLU 27 1HG GLU 27 -2.650 -8.707 -14.744 219 H LEU 28 H LEU 28 -2.415 -3.394 -14.200 220 HA LEU 28 HA LEU 28 -2.932 -3.034 -11.388 221 HB2 LEU 28 2HB LEU 28 -0.661 -2.945 -12.479 222 HB3 LEU 28 1HB LEU 28 -1.125 -1.451 -13.259 223 HG LEU 28 HG LEU 28 0.378 -1.241 -11.209 224 HD11 LEU 28 1HD1 LEU 28 -0.679 0.754 -10.281 225 HD12 LEU 28 2HD1 LEU 28 -2.224 0.304 -11.001 226 HD13 LEU 28 3HD1 LEU 28 -0.857 0.732 -12.032 227 HD21 LEU 28 3HD2 LEU 28 -2.132 -1.968 -9.652 228 HD22 LEU 28 1HD2 LEU 28 -0.606 -1.403 -8.969 229 HD23 LEU 28 2HD2 LEU 28 -0.677 -2.961 -9.788 230 H ASP 29 H ASP 29 -4.582 -1.850 -10.682 231 HA ASP 29 HA ASP 29 -4.828 0.936 -11.576 232 HB2 ASP 29 2HB ASP 29 -7.067 -1.073 -11.448 233 HB3 ASP 29 1HB ASP 29 -7.417 0.491 -10.732 234 H ASP 30 H ASP 30 -6.274 2.070 -9.802 235 HA ASP 30 HA ASP 30 -4.890 1.812 -7.286 236 HB2 ASP 30 2HB ASP 30 -6.175 3.745 -6.582 237 HB3 ASP 30 1HB ASP 30 -5.616 4.023 -8.223 238 H GLN 31 H GLN 31 -8.158 1.140 -8.483 239 HA GLN 31 HA GLN 31 -9.212 0.249 -5.952 240 HB2 GLN 31 2HB GLN 31 -10.340 -0.054 -8.762 241 HB3 GLN 31 1HB GLN 31 -11.219 -0.396 -7.274 242 HG2 GLN 31 2HG GLN 31 -11.046 1.988 -6.639 243 HG3 GLN 31 1HG GLN 31 -10.199 2.325 -8.150 244 HE21 GLN 31 1HE2 GLN 31 -11.773 3.727 -8.955 245 HE22 GLN 31 2HE2 GLN 31 -13.357 3.205 -9.412 246 H THR 32 H THR 32 -7.277 -1.245 -8.357 247 HA THR 32 HA THR 32 -8.250 -3.833 -8.495 248 HB THR 32 HB THR 32 -5.372 -2.899 -8.602 249 HG1 THR 32 HG1 THR 32 -6.143 -3.734 -10.933 250 HG21 THR 32 3HG2 THR 32 -4.919 -5.115 -9.705 251 HG22 THR 32 1HG2 THR 32 -6.536 -5.650 -9.227 252 HG23 THR 32 2HG2 THR 32 -5.329 -5.268 -7.995 253 HA PRO 33 HA PRO 33 -7.783 -4.775 -4.101 254 HB2 PRO 33 2HB PRO 33 -9.123 -7.147 -4.115 255 HB3 PRO 33 1HB PRO 33 -9.954 -5.594 -4.294 256 HG2 PRO 33 2HG PRO 33 -9.171 -7.549 -6.422 257 HG3 PRO 33 1HG PRO 33 -10.705 -6.680 -6.211 258 HD2 PRO 33 2HD PRO 33 -8.776 -5.865 -7.949 259 HD3 PRO 33 1HD PRO 33 -9.887 -4.733 -7.146 260 H LEU 34 H LEU 34 -5.722 -5.161 -3.691 261 HA LEU 34 HA LEU 34 -3.941 -6.884 -4.974 262 HB2 LEU 34 2HB LEU 34 -3.769 -5.764 -2.158 263 HB3 LEU 34 1HB LEU 34 -2.422 -6.348 -3.124 264 HG LEU 34 HG LEU 34 -4.103 -3.923 -3.866 265 HD11 LEU 34 1HD1 LEU 34 -2.238 -2.546 -3.077 266 HD12 LEU 34 2HD1 LEU 34 -1.398 -3.987 -2.495 267 HD13 LEU 34 3HD1 LEU 34 -2.928 -3.493 -1.760 268 HD21 LEU 34 3HD2 LEU 34 -2.260 -3.410 -5.424 269 HD22 LEU 34 1HD2 LEU 34 -3.002 -4.962 -5.803 270 HD23 LEU 34 2HD2 LEU 34 -1.445 -4.910 -4.970 271 H LEU 35 H LEU 35 -5.456 -7.192 -1.760 272 HA LEU 35 HA LEU 35 -4.531 -9.732 -1.022 273 HB2 LEU 35 2HB LEU 35 -7.140 -8.341 -0.342 274 HB3 LEU 35 1HB LEU 35 -6.577 -9.798 0.464 275 HG LEU 35 HG LEU 35 -5.039 -7.173 0.503 276 HD11 LEU 35 1HD1 LEU 35 -5.903 -6.867 2.769 277 HD12 LEU 35 2HD1 LEU 35 -6.912 -8.305 2.595 278 HD13 LEU 35 3HD1 LEU 35 -7.213 -6.881 1.591 279 HD21 LEU 35 3HD2 LEU 35 -4.759 -9.683 2.202 280 HD22 LEU 35 1HD2 LEU 35 -3.828 -8.192 2.390 281 HD23 LEU 35 2HD2 LEU 35 -3.641 -9.168 0.935 282 H GLU 36 H GLU 36 -7.459 -8.799 -2.774 283 HA GLU 36 HA GLU 36 -8.689 -11.346 -2.867 284 HB2 GLU 36 2HB GLU 36 -9.797 -9.091 -3.225 285 HB3 GLU 36 1HB GLU 36 -9.055 -9.050 -4.815 286 HG2 GLU 36 2HG GLU 36 -11.336 -9.715 -5.061 287 HG3 GLU 36 1HG GLU 36 -10.320 -11.107 -5.422 288 H TRP 37 H TRP 37 -6.281 -9.777 -4.871 289 HA TRP 37 HA TRP 37 -6.465 -11.799 -7.019 290 HB2 TRP 37 2HB TRP 37 -4.917 -9.203 -6.700 291 HB3 TRP 37 1HB TRP 37 -4.596 -10.314 -8.026 292 HD1 TRP 37 HD1 TRP 37 -8.215 -9.565 -6.899 293 HE1 TRP 37 HE1 TRP 37 -9.414 -8.313 -8.789 294 HE3 TRP 37 HE3 TRP 37 -4.247 -8.823 -10.016 295 HZ2 TRP 37 HZ2 TRP 37 -8.779 -7.162 -11.278 296 HZ3 TRP 37 HZ3 TRP 37 -4.627 -7.640 -12.129 297 HH2 TRP 37 HH2 TRP 37 -6.842 -6.823 -12.757 298 H GLY 38 H GLY 38 -5.068 -11.682 -4.050 299 HA2 GLY 38 2HA GLY 38 -3.522 -13.031 -3.023 300 HA3 GLY 38 1HA GLY 38 -3.290 -13.871 -4.547 301 H ILE 39 H ILE 39 -2.853 -10.465 -4.616 302 HA ILE 39 HA ILE 39 -0.132 -10.601 -5.452 303 HB ILE 39 HB ILE 39 -1.909 -8.236 -4.693 304 HG12 ILE 39 2HG1 ILE 39 -1.092 -9.276 -7.444 305 HG13 ILE 39 1HG1 ILE 39 -2.667 -9.516 -6.702 306 HG21 ILE 39 1HG2 ILE 39 0.810 -8.121 -6.034 307 HG22 ILE 39 2HG2 ILE 39 0.432 -7.570 -4.400 308 HG23 ILE 39 3HG2 ILE 39 -0.276 -6.752 -5.793 309 HD11 ILE 39 3HD1 ILE 39 -2.786 -7.788 -8.366 310 HD12 ILE 39 1HD1 ILE 39 -1.475 -6.893 -7.599 311 HD13 ILE 39 2HD1 ILE 39 -3.027 -7.066 -6.774 312 H LEU 40 H LEU 40 -1.806 -9.890 -2.468 313 HA LEU 40 HA LEU 40 0.717 -9.411 -1.017 314 HB2 LEU 40 2HB LEU 40 -2.139 -8.997 -0.090 315 HB3 LEU 40 1HB LEU 40 -0.681 -8.546 0.780 316 HG LEU 40 HG LEU 40 -1.740 -7.305 -1.774 317 HD11 LEU 40 1HD1 LEU 40 -2.890 -6.573 0.234 318 HD12 LEU 40 2HD1 LEU 40 -1.905 -5.267 -0.420 319 HD13 LEU 40 3HD1 LEU 40 -1.351 -6.157 1.002 320 HD21 LEU 40 3HD2 LEU 40 0.175 -5.756 -1.693 321 HD22 LEU 40 1HD2 LEU 40 0.686 -7.418 -1.975 322 HD23 LEU 40 2HD2 LEU 40 0.883 -6.693 -0.372 323 H ASN 41 H ASN 41 1.444 -10.777 0.459 324 HA ASN 41 HA ASN 41 -0.134 -12.651 1.921 325 HB2 ASN 41 2HB ASN 41 -0.007 -13.907 -0.209 326 HB3 ASN 41 1HB ASN 41 1.744 -13.775 -0.204 327 HD21 ASN 41 1HD2 ASN 41 2.011 -16.026 -0.259 328 HD22 ASN 41 2HD2 ASN 41 1.682 -17.035 1.103 329 H SER 42 H SER 42 1.136 -10.829 3.069 330 HA SER 42 HA SER 42 2.407 -10.352 4.840 331 HB2 SER 42 3HB SER 42 1.941 -12.645 5.582 332 HB3 SER 42 2HB SER 42 3.363 -13.222 4.707 333 H MET 43 H MET 43 4.579 -12.486 2.957 334 HA MET 43 HA MET 43 7.024 -11.476 3.525 335 HB2 MET 43 2HB MET 43 6.152 -12.251 0.713 336 HB3 MET 43 1HB MET 43 7.785 -12.338 1.360 337 HG2 MET 43 2HG MET 43 5.434 -14.065 2.194 338 HG3 MET 43 1HG MET 43 6.767 -14.551 1.156 339 HE1 MET 43 3HE MET 43 5.385 -14.620 4.674 340 HE2 MET 43 1HE MET 43 6.107 -13.017 4.807 341 HE3 MET 43 2HE MET 43 6.768 -14.367 5.738 342 H ASN 44 H ASN 44 4.888 -10.275 1.048 343 HA ASN 44 HA ASN 44 6.593 -8.071 0.229 344 HB2 ASN 44 2HB ASN 44 4.598 -7.681 -1.373 345 HB3 ASN 44 1HB ASN 44 5.513 -9.169 -1.569 346 HD21 ASN 44 1HD2 ASN 44 3.970 -10.504 -2.405 347 HD22 ASN 44 2HD2 ASN 44 2.468 -10.887 -1.640 348 H ILE 45 H ILE 45 3.742 -8.560 2.190 349 HA ILE 45 HA ILE 45 2.649 -5.971 2.311 350 HB ILE 45 HB ILE 45 2.484 -8.495 3.922 351 HG12 ILE 45 2HG1 ILE 45 0.343 -6.720 2.701 352 HG13 ILE 45 1HG1 ILE 45 1.078 -8.111 1.909 353 HG21 ILE 45 1HG2 ILE 45 0.992 -7.564 5.646 354 HG22 ILE 45 2HG2 ILE 45 1.333 -5.935 5.051 355 HG23 ILE 45 3HG2 ILE 45 2.629 -6.910 5.758 356 HD11 ILE 45 3HD1 ILE 45 -1.089 -8.664 2.765 357 HD12 ILE 45 1HD1 ILE 45 -0.626 -8.144 4.385 358 HD13 ILE 45 2HD1 ILE 45 0.147 -9.561 3.657 359 H VAL 46 H VAL 46 5.231 -7.497 4.123 360 HA VAL 46 HA VAL 46 5.453 -5.505 6.162 361 HB VAL 46 HB VAL 46 7.512 -7.591 5.350 362 HG11 VAL 46 1HG1 VAL 46 8.292 -7.397 7.691 363 HG12 VAL 46 2HG1 VAL 46 7.082 -6.144 7.990 364 HG13 VAL 46 3HG1 VAL 46 8.402 -5.847 6.856 365 HG21 VAL 46 3HG2 VAL 46 6.510 -9.061 7.041 366 HG22 VAL 46 1HG2 VAL 46 5.318 -8.644 5.812 367 HG23 VAL 46 2HG2 VAL 46 5.267 -7.857 7.386 368 H LYS 47 H LYS 47 6.618 -5.802 2.926 369 HA LYS 47 HA LYS 47 8.631 -3.747 3.028 370 HB2 LYS 47 2HB LYS 47 7.196 -5.121 0.736 371 HB3 LYS 47 1HB LYS 47 8.218 -3.724 0.437 372 HG2 LYS 47 2HG LYS 47 9.431 -5.813 0.024 373 HG3 LYS 47 1HG LYS 47 10.156 -4.887 1.343 374 HD2 LYS 47 2HD LYS 47 9.075 -6.345 2.990 375 HD3 LYS 47 1HD LYS 47 8.286 -7.247 1.696 376 HE2 LYS 47 2HE LYS 47 10.397 -8.105 0.920 377 HE3 LYS 47 1HE LYS 47 11.295 -7.061 2.032 378 HZ1 LYS 47 3HZ LYS 47 11.143 -9.310 2.874 379 HZ2 LYS 47 1HZ LYS 47 9.457 -9.259 2.800 380 HZ3 LYS 47 2HZ LYS 47 10.280 -8.262 3.882 381 H LEU 48 H LEU 48 5.139 -3.848 2.357 382 HA LEU 48 HA LEU 48 4.829 -1.128 1.606 383 HB2 LEU 48 2HB LEU 48 2.895 -3.105 2.857 384 HB3 LEU 48 1HB LEU 48 2.426 -1.431 2.615 385 HG LEU 48 HG LEU 48 1.552 -2.752 0.785 386 HD11 LEU 48 1HD1 LEU 48 2.485 -1.571 -1.170 387 HD12 LEU 48 2HD1 LEU 48 3.882 -1.067 -0.218 388 HD13 LEU 48 3HD1 LEU 48 2.269 -0.478 0.194 389 HD21 LEU 48 3HD2 LEU 48 2.939 -4.013 -0.798 390 HD22 LEU 48 1HD2 LEU 48 3.102 -4.661 0.832 391 HD23 LEU 48 2HD2 LEU 48 4.384 -3.656 0.153 392 H MET 49 H MET 49 4.943 -2.700 4.776 393 HA MET 49 HA MET 49 4.179 -0.552 6.431 394 HB2 MET 49 2HB MET 49 6.251 -2.675 7.133 395 HB3 MET 49 1HB MET 49 5.336 -1.693 8.268 396 HG2 MET 49 2HG MET 49 3.286 -2.847 7.669 397 HG3 MET 49 1HG MET 49 4.149 -3.779 6.433 398 HE1 MET 49 3HE MET 49 3.909 -6.758 8.860 399 HE2 MET 49 1HE MET 49 3.862 -6.207 7.187 400 HE3 MET 49 2HE MET 49 2.641 -5.667 8.327 401 H VAL 50 H VAL 50 7.437 -1.598 5.384 402 HA VAL 50 HA VAL 50 8.800 0.574 6.699 403 HB VAL 50 HB VAL 50 9.910 -1.613 6.443 404 HG11 VAL 50 1HG1 VAL 50 10.825 -2.377 4.284 405 HG12 VAL 50 2HG1 VAL 50 10.011 -1.043 3.458 406 HG13 VAL 50 3HG1 VAL 50 9.063 -2.307 4.249 407 HG21 VAL 50 3HG2 VAL 50 11.347 0.362 6.730 408 HG22 VAL 50 1HG2 VAL 50 11.414 0.584 4.977 409 HG23 VAL 50 2HG2 VAL 50 12.142 -0.842 5.717 410 H TYR 51 H TYR 51 7.534 0.044 3.475 411 HA TYR 51 HA TYR 51 9.098 1.913 2.014 412 HB2 TYR 51 2HB TYR 51 7.534 0.158 0.984 413 HB3 TYR 51 1HB TYR 51 6.191 1.199 1.405 414 HD1 TYR 51 HD1 TYR 51 9.517 1.475 -0.357 415 HD2 TYR 51 HD2 TYR 51 5.409 2.650 -0.302 416 HE1 TYR 51 HE1 TYR 51 9.839 2.709 -2.456 417 HE2 TYR 51 HE2 TYR 51 5.741 3.876 -2.405 418 HH TYR 51 HH TYR 51 7.613 4.937 -3.644 419 H ILE 52 H ILE 52 5.902 2.125 3.422 420 HA ILE 52 HA ILE 52 5.382 4.864 2.859 421 HB ILE 52 HB ILE 52 4.104 2.922 4.835 422 HG12 ILE 52 2HG1 ILE 52 3.087 3.717 2.070 423 HG13 ILE 52 1HG1 ILE 52 4.144 2.332 2.308 424 HG21 ILE 52 1HG2 ILE 52 2.994 5.532 3.783 425 HG22 ILE 52 2HG2 ILE 52 3.558 5.244 5.424 426 HG23 ILE 52 3HG2 ILE 52 2.139 4.388 4.823 427 HD11 ILE 52 3HD1 ILE 52 1.409 2.669 3.525 428 HD12 ILE 52 1HD1 ILE 52 2.471 1.265 3.691 429 HD13 ILE 52 2HD1 ILE 52 1.818 1.695 2.111 430 H ARG 53 H ARG 53 6.681 3.134 5.629 431 HA ARG 53 HA ARG 53 6.918 5.203 7.518 432 HB2 ARG 53 2HB ARG 53 7.183 2.882 8.144 433 HB3 ARG 53 1HB ARG 53 8.538 2.688 7.038 434 HG2 ARG 53 2HG ARG 53 9.909 4.196 8.437 435 HG3 ARG 53 1HG ARG 53 8.559 4.401 9.553 436 HD2 ARG 53 2HD ARG 53 8.647 2.049 10.167 437 HD3 ARG 53 1HD ARG 53 9.872 1.734 8.930 438 HE ARG 53 HE ARG 53 11.093 3.593 10.395 439 HH11 ARG 53 1HH1 ARG 53 9.421 0.682 11.415 440 HH12 ARG 53 2HH1 ARG 53 10.405 0.465 12.830 441 HH21 ARG 53 1HH2 ARG 53 12.397 3.310 12.192 442 HH22 ARG 53 2HH2 ARG 53 12.116 1.977 13.270 443 H ASP 54 H ASP 54 8.931 4.343 4.765 444 HA ASP 54 HA ASP 54 11.065 6.228 5.471 445 HB2 ASP 54 2HB ASP 54 11.727 4.053 4.564 446 HB3 ASP 54 1HB ASP 54 10.723 4.294 3.142 447 H GLU 55 H GLU 55 8.402 5.944 3.203 448 HA GLU 55 HA GLU 55 9.359 7.986 1.376 449 HB2 GLU 55 2HB GLU 55 8.147 5.908 0.627 450 HB3 GLU 55 1HB GLU 55 6.694 6.505 1.413 451 HG2 GLU 55 2HG GLU 55 6.592 6.878 -0.984 452 HG3 GLU 55 1HG GLU 55 6.634 8.417 -0.130 453 H MET 56 H MET 56 6.240 7.635 3.125 454 HA MET 56 HA MET 56 5.867 10.539 3.164 455 HB2 MET 56 2HB MET 56 4.061 8.215 3.921 456 HB3 MET 56 1HB MET 56 3.620 9.889 4.259 457 HG2 MET 56 2HG MET 56 2.555 9.184 2.218 458 HG3 MET 56 1HG MET 56 3.774 10.397 1.848 459 HE1 MET 56 3HE MET 56 4.000 5.931 0.723 460 HE2 MET 56 1HE MET 56 2.560 6.751 1.330 461 HE3 MET 56 2HE MET 56 3.915 6.423 2.413 462 H GLY 57 H GLY 57 7.167 8.150 5.198 463 HA2 GLY 57 2HA GLY 57 8.164 8.346 7.261 464 HA3 GLY 57 1HA GLY 57 7.670 10.032 7.322 465 H VAL 58 H VAL 58 5.547 7.213 6.896 466 HA VAL 58 HA VAL 58 4.676 7.356 9.717 467 HB VAL 58 HB VAL 58 3.053 8.794 8.594 468 HG11 VAL 58 1HG1 VAL 58 3.334 8.079 6.267 469 HG12 VAL 58 2HG1 VAL 58 1.626 8.040 6.720 470 HG13 VAL 58 3HG1 VAL 58 2.551 6.537 6.632 471 HG21 VAL 58 3HG2 VAL 58 1.810 6.082 9.119 472 HG22 VAL 58 1HG2 VAL 58 0.946 7.623 9.099 473 HG23 VAL 58 2HG2 VAL 58 2.167 7.308 10.336 474 H SER 59 H SER 59 4.480 5.314 10.562 475 HA SER 59 HA SER 59 4.973 3.040 8.755 476 HB2 SER 59 2HB SER 59 6.574 3.444 10.613 477 HB3 SER 59 1HB SER 59 5.259 3.271 11.780 478 HG SER 59 HG SER 59 6.239 1.303 9.985 479 H ILE 60 H ILE 60 3.609 1.260 8.670 480 HA ILE 60 HA ILE 60 1.028 1.307 10.030 481 HB ILE 60 HB ILE 60 2.186 -0.847 8.204 482 HG12 ILE 60 2HG1 ILE 60 1.720 1.400 7.065 483 HG13 ILE 60 1HG1 ILE 60 0.852 0.022 6.398 484 HG21 ILE 60 1HG2 ILE 60 0.522 -1.783 9.720 485 HG22 ILE 60 2HG2 ILE 60 -0.158 -1.690 8.099 486 HG23 ILE 60 3HG2 ILE 60 -0.630 -0.506 9.318 487 HD11 ILE 60 3HD1 ILE 60 -1.179 0.698 7.580 488 HD12 ILE 60 1HD1 ILE 60 -0.570 2.003 6.561 489 HD13 ILE 60 2HD1 ILE 60 -0.313 2.058 8.303 490 HA PRO 61 HA PRO 61 2.948 -1.263 13.327 491 HB2 PRO 61 2HB PRO 61 0.912 -1.012 15.128 492 HB3 PRO 61 1HB PRO 61 2.042 0.320 14.807 493 HG2 PRO 61 2HG PRO 61 -0.722 -0.096 13.710 494 HG3 PRO 61 1HG PRO 61 0.008 1.376 14.392 495 HD2 PRO 61 2HD PRO 61 -0.164 0.920 11.713 496 HD3 PRO 61 1HD PRO 61 1.148 1.873 12.441 497 H SER 62 H SER 62 2.232 -3.261 14.528 498 HA SER 62 HA SER 62 1.137 -5.181 12.744 499 HB2 SER 62 2HB SER 62 1.380 -6.754 14.715 500 HB3 SER 62 1HB SER 62 2.846 -5.871 14.292 501 HG SER 62 HG SER 62 2.183 -5.962 16.601 502 H THR 63 H THR 63 -0.276 -3.275 15.311 503 HA THR 63 HA THR 63 -2.685 -4.779 15.658 504 HB THR 63 HB THR 63 -1.777 -3.178 17.349 505 HG1 THR 63 HG1 THR 63 -3.779 -2.559 18.033 506 HG21 THR 63 3HG2 THR 63 -2.816 -1.009 15.494 507 HG22 THR 63 1HG2 THR 63 -1.114 -1.333 15.846 508 HG23 THR 63 2HG2 THR 63 -2.191 -0.774 17.127 509 H HIS 64 H HIS 64 -1.556 -2.856 13.115 510 HA HIS 64 HA HIS 64 -4.263 -2.460 11.979 511 HB2 HIS 64 2HB HIS 64 -1.741 -0.808 11.648 512 HB3 HIS 64 1HB HIS 64 -3.098 -0.688 10.528 513 HD1 HIS 64 HD1 HIS 64 -4.663 -1.181 13.701 514 HD2 HIS 64 HD2 HIS 64 -2.773 2.029 11.853 515 HE1 HIS 64 HE1 HIS 64 -5.496 0.859 14.889 516 HE2 HIS 64 HE2 HIS 64 -4.508 2.794 13.612 517 H ILE 65 H ILE 65 -2.099 -4.760 11.848 518 HA ILE 65 HA ILE 65 -1.988 -5.007 8.924 519 HB ILE 65 HB ILE 65 -1.050 -6.967 11.063 520 HG12 ILE 65 2HG1 ILE 65 0.306 -4.966 11.167 521 HG13 ILE 65 1HG1 ILE 65 1.255 -6.193 10.336 522 HG21 ILE 65 1HG2 ILE 65 -1.597 -8.128 8.961 523 HG22 ILE 65 2HG2 ILE 65 0.146 -8.125 9.234 524 HG23 ILE 65 3HG2 ILE 65 -0.566 -7.018 8.056 525 HD11 ILE 65 3HD1 ILE 65 0.723 -5.155 8.187 526 HD12 ILE 65 1HD1 ILE 65 1.485 -4.008 9.297 527 HD13 ILE 65 2HD1 ILE 65 -0.254 -3.936 9.014 528 H THR 66 H THR 66 -4.065 -5.097 8.346 529 HA THR 66 HA THR 66 -5.458 -7.589 8.734 530 HB THR 66 HB THR 66 -6.233 -6.311 10.690 531 HG1 THR 66 HG1 THR 66 -7.736 -7.685 9.755 532 HG21 THR 66 3HG2 THR 66 -7.542 -4.254 10.474 533 HG22 THR 66 1HG2 THR 66 -7.258 -4.245 8.721 534 HG23 THR 66 2HG2 THR 66 -5.913 -4.028 9.841 535 H GLY 67 H GLY 67 -7.525 -7.570 7.387 536 HA2 GLY 67 2HA GLY 67 -6.732 -7.225 4.731 537 HA3 GLY 67 1HA GLY 67 -8.342 -7.662 5.266 538 H LYS 68 H LYS 68 -9.085 -5.331 6.626 539 HA LYS 68 HA LYS 68 -10.214 -3.845 4.545 540 HB2 LYS 68 2HB LYS 68 -10.995 -2.282 6.287 541 HB3 LYS 68 1HB LYS 68 -11.250 -3.963 6.741 542 HG2 LYS 68 2HG LYS 68 -9.472 -3.926 8.334 543 HG3 LYS 68 1HG LYS 68 -8.836 -2.403 7.709 544 HD2 LYS 68 2HD LYS 68 -9.987 -2.038 9.848 545 HD3 LYS 68 1HD LYS 68 -10.837 -1.213 8.540 546 HE2 LYS 68 2HE LYS 68 -12.376 -2.331 10.116 547 HE3 LYS 68 1HE LYS 68 -12.518 -2.978 8.481 548 HZ1 LYS 68 3HZ LYS 68 -11.183 -4.858 9.126 549 HZ2 LYS 68 1HZ LYS 68 -12.496 -4.712 10.174 550 HZ3 LYS 68 2HZ LYS 68 -10.958 -4.228 10.679 551 H TYR 69 H TYR 69 -7.150 -3.394 6.139 552 HA TYR 69 HA TYR 69 -6.857 -0.608 5.273 553 HB2 TYR 69 2HB TYR 69 -5.084 -2.379 6.990 554 HB3 TYR 69 1HB TYR 69 -4.685 -0.718 6.552 555 HD1 TYR 69 HD2 TYR 69 -7.757 0.223 6.868 556 HD2 TYR 69 HD1 TYR 69 -5.004 -1.849 9.399 557 HE1 TYR 69 HE2 TYR 69 -8.946 1.046 8.840 558 HE2 TYR 69 HE1 TYR 69 -6.198 -1.006 11.368 559 HH TYR 69 HH TYR 69 -9.253 0.472 11.186 560 H PHE 70 H PHE 70 -5.925 -3.766 4.232 561 HA PHE 70 HA PHE 70 -3.903 -2.623 2.357 562 HB2 PHE 70 2HB PHE 70 -3.929 -5.322 3.759 563 HB3 PHE 70 1HB PHE 70 -2.892 -4.986 2.386 564 HD1 PHE 70 HD1 PHE 70 -0.996 -3.424 2.579 565 HD2 PHE 70 HD2 PHE 70 -3.441 -4.334 5.970 566 HE1 PHE 70 HE1 PHE 70 0.714 -2.480 4.071 567 HE2 PHE 70 HE2 PHE 70 -1.726 -3.390 7.451 568 HZ PHE 70 HZ PHE 70 0.355 -2.459 6.507 569 H LYS 71 H LYS 71 -6.953 -3.287 2.126 570 HA LYS 71 HA LYS 71 -7.423 -5.320 0.297 571 HB2 LYS 71 2HB LYS 71 -8.693 -2.577 0.391 572 HB3 LYS 71 1HB LYS 71 -9.278 -3.876 -0.639 573 HG2 LYS 71 2HG LYS 71 -9.903 -5.208 1.276 574 HG3 LYS 71 1HG LYS 71 -9.134 -4.057 2.380 575 HD2 LYS 71 2HD LYS 71 -11.598 -3.781 2.294 576 HD3 LYS 71 1HD LYS 71 -10.738 -2.329 1.782 577 HE2 LYS 71 2HE LYS 71 -11.125 -3.060 -0.618 578 HE3 LYS 71 1HE LYS 71 -12.142 -4.358 0.009 579 HZ1 LYS 71 3HZ LYS 71 -13.553 -2.645 1.034 580 HZ2 LYS 71 1HZ LYS 71 -13.477 -2.498 -0.649 581 HZ3 LYS 71 2HZ LYS 71 -12.590 -1.446 0.329 582 H ASP 72 H ASP 72 -6.463 -1.984 -0.362 583 HA ASP 72 HA ASP 72 -5.015 -2.452 -2.737 584 HB2 ASP 72 2HB ASP 72 -6.544 -1.402 -4.400 585 HB3 ASP 72 1HB ASP 72 -7.236 -2.878 -3.745 586 H LEU 73 H LEU 73 -5.546 0.139 -3.953 587 HA LEU 73 HA LEU 73 -3.752 1.669 -2.382 588 HB2 LEU 73 2HB LEU 73 -3.913 1.880 -4.851 589 HB3 LEU 73 1HB LEU 73 -5.480 2.644 -4.680 590 HG LEU 73 HG LEU 73 -4.446 4.569 -3.506 591 HD11 LEU 73 1HD1 LEU 73 -2.587 3.408 -2.375 592 HD12 LEU 73 2HD1 LEU 73 -1.983 4.767 -3.315 593 HD13 LEU 73 3HD1 LEU 73 -1.799 3.127 -3.932 594 HD21 LEU 73 3HD2 LEU 73 -3.135 5.492 -5.414 595 HD22 LEU 73 1HD2 LEU 73 -4.634 4.727 -5.930 596 HD23 LEU 73 2HD2 LEU 73 -3.100 3.884 -6.143 597 H ASN 74 H ASN 74 -7.215 1.870 -2.931 598 HA ASN 74 HA ASN 74 -7.617 4.377 -1.613 599 HB2 ASN 74 2HB ASN 74 -9.622 2.160 -2.224 600 HB3 ASN 74 1HB ASN 74 -10.045 3.793 -1.715 601 HD21 ASN 74 1HD2 ASN 74 -9.052 1.794 -4.347 602 HD22 ASN 74 2HD2 ASN 74 -9.124 3.005 -5.575 603 H ALA 75 H ALA 75 -7.774 0.997 -0.550 604 HA ALA 75 HA ALA 75 -8.713 1.410 2.089 605 HB1 ALA 75 3HB ALA 75 -6.897 -0.770 1.005 606 HB2 ALA 75 1HB ALA 75 -8.666 -0.795 1.032 607 HB3 ALA 75 2HB ALA 75 -7.758 -0.828 2.543 608 H ILE 76 H ILE 76 -5.392 1.045 0.861 609 HA ILE 76 HA ILE 76 -3.999 1.627 3.258 610 HB ILE 76 HB ILE 76 -3.099 1.749 0.347 611 HG12 ILE 76 2HG1 ILE 76 -2.562 -0.289 2.547 612 HG13 ILE 76 1HG1 ILE 76 -3.693 -0.519 1.217 613 HG21 ILE 76 1HG2 ILE 76 -1.333 1.970 2.818 614 HG22 ILE 76 2HG2 ILE 76 -1.666 3.271 1.677 615 HG23 ILE 76 3HG2 ILE 76 -0.760 1.856 1.146 616 HD11 ILE 76 3HD1 ILE 76 -0.697 -0.283 1.018 617 HD12 ILE 76 1HD1 ILE 76 -1.799 -0.465 -0.353 618 HD13 ILE 76 2HD1 ILE 76 -1.665 -1.751 0.851 619 H SER 77 H SER 77 -5.399 3.684 0.795 620 HA SER 77 HA SER 77 -3.985 6.074 1.460 621 HB2 SER 77 2HB SER 77 -5.152 5.777 -0.736 622 HB3 SER 77 1HB SER 77 -6.705 5.821 0.098 623 HG SER 77 HG SER 77 -5.109 7.946 0.732 624 H ARG 78 H ARG 78 -7.168 4.753 2.426 625 HA ARG 78 HA ARG 78 -7.943 6.955 4.055 626 HB2 ARG 78 2HB ARG 78 -8.768 4.035 4.310 627 HB3 ARG 78 1HB ARG 78 -9.555 5.379 5.134 628 HG2 ARG 78 2HG ARG 78 -9.465 4.883 2.149 629 HG3 ARG 78 1HG ARG 78 -10.866 4.712 3.203 630 HD2 ARG 78 2HD ARG 78 -10.852 7.148 3.628 631 HD3 ARG 78 1HD ARG 78 -9.414 7.319 2.608 632 HE ARG 78 HE ARG 78 -11.622 6.074 1.253 633 HH11 ARG 78 1HH1 ARG 78 -10.226 9.177 2.112 634 HH12 ARG 78 2HH1 ARG 78 -11.007 10.027 0.820 635 HH21 ARG 78 1HH2 ARG 78 -12.627 7.187 -0.445 636 HH22 ARG 78 2HH2 ARG 78 -12.376 8.893 -0.638 637 H THR 79 H THR 79 -6.103 4.048 4.695 638 HA THR 79 HA THR 79 -5.917 4.351 7.514 639 HB THR 79 HB THR 79 -4.012 2.783 5.728 640 HG1 THR 79 HG1 THR 79 -5.747 1.671 5.252 641 HG21 THR 79 3HG2 THR 79 -3.278 2.941 8.093 642 HG22 THR 79 1HG2 THR 79 -3.820 1.304 7.724 643 HG23 THR 79 2HG2 THR 79 -4.870 2.393 8.630 644 H VAL 80 H VAL 80 -3.739 5.180 4.843 645 HA VAL 80 HA VAL 80 -1.545 5.879 6.527 646 HB VAL 80 HB VAL 80 -1.392 5.023 4.121 647 HG11 VAL 80 1HG1 VAL 80 -1.994 7.911 3.382 648 HG12 VAL 80 2HG1 VAL 80 -3.018 6.508 3.050 649 HG13 VAL 80 3HG1 VAL 80 -1.434 6.653 2.284 650 HG21 VAL 80 3HG2 VAL 80 0.641 6.303 3.593 651 HG22 VAL 80 1HG2 VAL 80 0.573 5.870 5.300 652 HG23 VAL 80 2HG2 VAL 80 0.201 7.522 4.795 653 H GLU 81 H GLU 81 -4.220 7.686 5.086 654 HA GLU 81 HA GLU 81 -3.153 10.285 5.684 655 HB2 GLU 81 2HB GLU 81 -5.990 9.433 5.022 656 HB3 GLU 81 1HB GLU 81 -5.455 11.105 5.163 657 HG2 GLU 81 2HG GLU 81 -4.607 9.072 3.087 658 HG3 GLU 81 1HG GLU 81 -5.568 10.524 2.837 659 H GLN 82 H GLN 82 -5.549 8.149 7.280 660 HA GLN 82 HA GLN 82 -6.209 9.996 9.343 661 HB2 GLN 82 2HB GLN 82 -7.312 8.191 10.504 662 HB3 GLN 82 1HB GLN 82 -7.663 8.054 8.788 663 HG2 GLN 82 2HG GLN 82 -6.018 6.237 8.593 664 HG3 GLN 82 1HG GLN 82 -5.648 6.379 10.312 665 HE21 GLN 82 1HE2 GLN 82 -6.655 4.071 8.818 666 HE22 GLN 82 2HE2 GLN 82 -8.152 3.616 9.546 667 H LEU 83 H LEU 83 -3.679 7.547 9.037 668 HA LEU 83 HA LEU 83 -2.812 7.543 11.739 669 HB2 LEU 83 2HB LEU 83 -1.320 6.862 9.196 670 HB3 LEU 83 1HB LEU 83 -0.632 6.653 10.800 671 HG LEU 83 HG LEU 83 -3.105 5.217 9.765 672 HD11 LEU 83 1HD1 LEU 83 -0.282 4.196 10.218 673 HD12 LEU 83 2HD1 LEU 83 -1.034 4.494 8.649 674 HD13 LEU 83 3HD1 LEU 83 -1.672 3.231 9.700 675 HD21 LEU 83 3HD2 LEU 83 -1.588 4.858 12.377 676 HD22 LEU 83 1HD2 LEU 83 -2.930 3.856 11.808 677 HD23 LEU 83 2HD2 LEU 83 -3.203 5.549 12.204 678 H LYS 84 H LYS 84 -1.893 9.580 8.998 679 HA LYS 84 HA LYS 84 0.133 11.028 10.411 680 HB2 LYS 84 2HB LYS 84 -1.557 11.853 8.025 681 HB3 LYS 84 1HB LYS 84 -0.188 12.780 8.633 682 HG2 LYS 84 2HG LYS 84 1.327 10.918 8.106 683 HG3 LYS 84 1HG LYS 84 -0.039 9.960 7.521 684 HD2 LYS 84 2HD LYS 84 0.993 12.568 6.341 685 HD3 LYS 84 1HD LYS 84 1.130 10.957 5.628 686 HE2 LYS 84 2HE LYS 84 -1.329 10.834 5.422 687 HE3 LYS 84 1HE LYS 84 -1.477 12.441 6.136 688 HZ1 LYS 84 3HZ LYS 84 -0.076 11.824 3.594 689 HZ2 LYS 84 1HZ LYS 84 -0.303 13.358 4.263 690 HZ3 LYS 84 2HZ LYS 84 -1.633 12.467 3.722 691 H ALA 85 H ALA 85 -3.381 11.406 10.130 692 HA ALA 85 HA ALA 85 -3.599 13.869 11.551 693 HB1 ALA 85 3HB ALA 85 -5.972 13.290 11.810 694 HB2 ALA 85 1HB ALA 85 -5.644 11.627 11.330 695 HB3 ALA 85 2HB ALA 85 -5.438 12.939 10.162 696 H GLU 86 H GLU 86 -3.458 10.488 12.547 697 HA GLU 86 HA GLU 86 -4.098 10.916 15.313 698 HB2 GLU 86 2HB GLU 86 -2.840 8.508 13.933 699 HB3 GLU 86 1HB GLU 86 -3.431 8.524 15.591 700 HG2 GLU 86 2HG GLU 86 -5.079 8.792 13.064 701 HG3 GLU 86 1HG GLU 86 -5.038 7.425 14.162 702 H SER 87 H SER 87 -1.141 10.629 13.436 703 HA SER 87 HA SER 87 0.577 10.361 15.792 704 HB2 SER 87 2HB SER 87 0.968 8.921 13.802 705 HB3 SER 87 1HB SER 87 1.291 10.353 12.825 706 HG SER 87 HG SER 87 2.739 9.575 15.137 707 H ALA 88 H ALA 88 -0.252 12.785 13.358 708 HA ALA 88 HA ALA 88 1.839 14.635 14.394 709 HB1 ALA 88 3HB ALA 88 0.402 14.713 11.722 710 HB2 ALA 88 1HB ALA 88 2.032 14.098 12.000 711 HB3 ALA 88 2HB ALA 88 1.682 15.810 12.254 712 H LEU 89 H LEU 89 1.207 16.969 14.127 713 HA LEU 89 HA LEU 89 -1.112 17.466 15.762 714 HB2 LEU 89 2HB LEU 89 -0.317 19.665 16.029 715 HB3 LEU 89 1HB LEU 89 1.108 18.650 16.010 716 HG LEU 89 HG LEU 89 0.165 20.368 13.667 717 HD11 LEU 89 1HD1 LEU 89 0.913 21.726 15.580 718 HD12 LEU 89 2HD1 LEU 89 2.039 21.845 14.229 719 HD13 LEU 89 3HD1 LEU 89 2.437 20.833 15.621 720 HD21 LEU 89 3HD2 LEU 89 1.468 18.414 12.910 721 HD22 LEU 89 1HD2 LEU 89 2.771 18.844 14.026 722 HD23 LEU 89 2HD2 LEU 89 2.373 19.907 12.674 723 H GLU 90 H GLU 90 -0.796 17.091 12.476 724 HA GLU 90 HA GLU 90 -2.343 19.193 11.375 725 HB2 GLU 90 2HB GLU 90 -1.811 16.385 10.301 726 HB3 GLU 90 1HB GLU 90 -2.435 17.729 9.349 727 HG2 GLU 90 2HG GLU 90 0.290 17.603 10.675 728 HG3 GLU 90 1HG GLU 90 -0.033 17.348 8.961 729 H281 4EM 101 2H28 PYA 142 2.666 -11.192 9.101 730 H283 4EM 101 3H28 PYA 142 2.853 -12.534 10.241 731 H303 4EM 101 3H30 PYA 142 0.217 -12.160 7.595 732 H301 4EM 101 1H30 PYA 142 0.380 -10.531 8.269 733 H302 4EM 101 2H30 PYA 142 -1.029 -11.534 8.677 734 H312 4EM 101 2H31 PYA 142 0.894 -10.223 10.667 735 H313 4EM 101 3H31 PYA 142 -0.509 -11.195 11.102 736 H311 4EM 101 1H31 PYA 142 1.080 -11.617 11.751 737 H32 4EM 101 H32 PYA 142 0.592 -14.214 9.132 738 H33 4EM 101 H33 PYA 142 0.538 -14.946 11.353 739 H36 4EM 101 H36 PYA 142 -1.124 -13.324 12.133 740 H373 4EM 101 3H37 PYA 142 -3.684 -13.886 10.730 741 H372 4EM 101 2H37 PYA 142 -3.421 -13.903 12.480 742 H382 4EM 101 2H38 PYA 142 -3.020 -11.355 10.912 743 H383 4EM 101 3H38 PYA 142 -3.312 -11.556 12.637 744 H41 4EM 101 H41 PYA 142 -4.552 -11.872 9.531 745 H423 4EM 101 3H42 PYA 142 -6.753 -10.427 9.364 746 H422 4EM 101 2H42 PYA 142 -7.379 -11.945 10.012 747 H433 4EM 101 3H43 PYA 142 -7.411 -11.843 7.478 748 H432 4EM 101 2H43 PYA 142 -6.426 -13.171 8.118 749 H44 4EM 101 H44 PYA 142 -4.777 -12.308 7.134 750 H49 4EM 101 H49 PYA 142 -3.446 -8.196 7.420 751 H51 4EM 101 H51 PYA 142 -1.177 -8.700 6.203 752 H50 4EM 101 H50 PYA 142 -1.409 -10.978 4.965 753 H48 4EM 101 H48 PYA 142 -3.781 -11.830 5.442 Start of MODEL 11 1 H1 MET 1 1H MET 1 6.531 15.259 -0.491 2 H2 MET 1 2H MET 1 5.959 15.925 -1.930 3 H3 MET 1 3H MET 1 7.446 15.127 -1.903 4 HA MET 1 HA MET 1 5.733 13.792 -2.933 5 HB2 MET 1 2HB MET 1 6.089 11.706 -1.534 6 HB3 MET 1 1HB MET 1 7.564 12.572 -1.921 7 HG2 MET 1 2HG MET 1 6.128 12.612 0.740 8 HG3 MET 1 1HG MET 1 7.614 11.737 0.379 9 HE1 MET 1 3HE MET 1 9.323 13.887 -1.301 10 HE2 MET 1 1HE MET 1 10.014 12.992 0.049 11 HE3 MET 1 2HE MET 1 10.177 14.745 -0.019 12 H ASP 2 H ASP 2 3.639 14.471 -3.034 13 HA ASP 2 HA ASP 2 1.939 15.057 -0.830 14 HB2 ASP 2 2HB ASP 2 1.713 16.117 -3.104 15 HB3 ASP 2 1HB ASP 2 1.254 14.557 -3.783 16 H GLY 3 H GLY 3 -0.153 14.003 -0.415 17 HA2 GLY 3 2HA GLY 3 -0.085 11.330 0.291 18 HA3 GLY 3 1HA GLY 3 -1.544 12.286 0.093 19 H GLU 4 H GLU 4 -1.386 12.769 -2.717 20 HA GLU 4 HA GLU 4 -2.157 10.153 -3.777 21 HB2 GLU 4 2HB GLU 4 -2.239 12.874 -5.145 22 HB3 GLU 4 1HB GLU 4 -2.976 11.393 -5.745 23 HG2 GLU 4 2HG GLU 4 -4.143 11.553 -3.277 24 HG3 GLU 4 1HG GLU 4 -3.912 13.263 -3.623 25 H GLU 5 H GLU 5 0.403 12.474 -4.203 26 HA GLU 5 HA GLU 5 1.659 11.544 -6.529 27 HB2 GLU 5 2HB GLU 5 2.212 13.675 -5.484 28 HB3 GLU 5 1HB GLU 5 2.801 12.849 -4.048 29 HG2 GLU 5 2HG GLU 5 4.568 13.794 -5.542 30 HG3 GLU 5 1HG GLU 5 4.750 12.093 -5.148 31 H VAL 6 H VAL 6 1.799 10.354 -3.218 32 HA VAL 6 HA VAL 6 3.847 8.414 -3.872 33 HB VAL 6 HB VAL 6 3.952 9.433 -1.682 34 HG11 VAL 6 1HG1 VAL 6 2.307 8.986 0.088 35 HG12 VAL 6 2HG1 VAL 6 1.296 8.100 -1.053 36 HG13 VAL 6 3HG1 VAL 6 1.554 9.833 -1.265 37 HG21 VAL 6 3HG2 VAL 6 4.258 7.394 -0.346 38 HG22 VAL 6 1HG2 VAL 6 4.852 7.164 -1.991 39 HG23 VAL 6 2HG2 VAL 6 3.300 6.476 -1.506 40 H LYS 7 H LYS 7 0.320 8.422 -3.499 41 HA LYS 7 HA LYS 7 -0.098 5.668 -3.122 42 HB2 LYS 7 2HB LYS 7 -1.864 7.758 -4.420 43 HB3 LYS 7 1HB LYS 7 -2.386 6.084 -4.245 44 HG2 LYS 7 2HG LYS 7 -2.055 6.304 -1.763 45 HG3 LYS 7 1HG LYS 7 -1.729 8.021 -2.007 46 HD2 LYS 7 2HD LYS 7 -4.310 6.549 -2.655 47 HD3 LYS 7 1HD LYS 7 -4.058 7.723 -1.366 48 HE2 LYS 7 2HE LYS 7 -3.670 9.483 -3.062 49 HE3 LYS 7 1HE LYS 7 -3.971 8.315 -4.348 50 HZ1 LYS 7 3HZ LYS 7 -6.210 8.048 -3.565 51 HZ2 LYS 7 1HZ LYS 7 -5.904 9.686 -3.848 52 HZ3 LYS 7 2HZ LYS 7 -5.944 9.084 -2.260 53 H GLU 8 H GLU 8 0.036 7.473 -6.181 54 HA GLU 8 HA GLU 8 -0.231 5.300 -7.940 55 HB2 GLU 8 2HB GLU 8 0.851 6.774 -9.613 56 HB3 GLU 8 1HB GLU 8 -0.409 7.601 -8.700 57 HG2 GLU 8 2HG GLU 8 1.364 8.599 -7.236 58 HG3 GLU 8 1HG GLU 8 2.584 7.864 -8.279 59 H LYS 9 H LYS 9 2.641 6.591 -6.280 60 HA LYS 9 HA LYS 9 4.552 4.862 -7.509 61 HB2 LYS 9 2HB LYS 9 4.766 6.408 -4.903 62 HB3 LYS 9 1HB LYS 9 6.104 5.609 -5.722 63 HG2 LYS 9 2HG LYS 9 5.710 7.142 -7.691 64 HG3 LYS 9 1HG LYS 9 4.535 8.011 -6.700 65 HD2 LYS 9 2HD LYS 9 7.497 7.671 -6.106 66 HD3 LYS 9 1HD LYS 9 6.707 9.143 -6.658 67 HE2 LYS 9 2HE LYS 9 5.440 9.252 -4.537 68 HE3 LYS 9 1HE LYS 9 6.244 7.780 -3.973 69 HZ1 LYS 9 3HZ LYS 9 7.264 9.830 -3.135 70 HZ2 LYS 9 1HZ LYS 9 7.654 10.294 -4.713 71 HZ3 LYS 9 2HZ LYS 9 8.341 8.904 -4.034 72 H ILE 10 H ILE 10 2.342 4.413 -4.860 73 HA ILE 10 HA ILE 10 3.630 2.240 -3.530 74 HB ILE 10 HB ILE 10 0.648 2.809 -3.837 75 HG12 ILE 10 2HG1 ILE 10 1.691 4.669 -2.703 76 HG13 ILE 10 1HG1 ILE 10 0.784 3.748 -1.512 77 HG21 ILE 10 1HG2 ILE 10 0.943 0.478 -3.225 78 HG22 ILE 10 2HG2 ILE 10 0.285 1.369 -1.852 79 HG23 ILE 10 3HG2 ILE 10 1.995 0.932 -1.883 80 HD11 ILE 10 3HD1 ILE 10 2.871 4.475 -0.588 81 HD12 ILE 10 1HD1 ILE 10 3.771 3.753 -1.920 82 HD13 ILE 10 2HD1 ILE 10 2.918 2.721 -0.761 83 H ARG 11 H ARG 11 1.069 2.355 -5.971 84 HA ARG 11 HA ARG 11 0.912 -0.418 -6.478 85 HB2 ARG 11 2HB ARG 11 0.021 1.957 -8.128 86 HB3 ARG 11 1HB ARG 11 -0.357 0.292 -8.550 87 HG2 ARG 11 2HG ARG 11 -1.174 1.709 -6.006 88 HG3 ARG 11 1HG ARG 11 -2.222 1.380 -7.384 89 HD2 ARG 11 2HD ARG 11 -0.860 -0.825 -5.787 90 HD3 ARG 11 1HD ARG 11 -2.454 -0.187 -5.400 91 HE ARG 11 HE ARG 11 -3.245 -0.967 -7.540 92 HH11 ARG 11 1HH1 ARG 11 -0.203 -2.400 -6.519 93 HH12 ARG 11 2HH1 ARG 11 -0.394 -3.801 -7.520 94 HH21 ARG 11 1HH2 ARG 11 -3.516 -2.839 -8.782 95 HH22 ARG 11 2HH2 ARG 11 -2.277 -4.049 -8.805 96 H ARG 12 H ARG 12 2.818 2.119 -8.063 97 HA ARG 12 HA ARG 12 3.901 0.465 -10.118 98 HB2 ARG 12 2HB ARG 12 4.587 3.183 -9.020 99 HB3 ARG 12 1HB ARG 12 5.845 2.357 -9.929 100 HG2 ARG 12 2HG ARG 12 4.545 3.883 -11.365 101 HG3 ARG 12 1HG ARG 12 4.395 2.204 -11.890 102 HD2 ARG 12 2HD ARG 12 2.205 2.083 -10.699 103 HD3 ARG 12 1HD ARG 12 2.364 3.794 -10.302 104 HE ARG 12 HE ARG 12 2.318 2.891 -13.107 105 HH11 ARG 12 1HH1 ARG 12 0.916 4.797 -10.510 106 HH12 ARG 12 2HH1 ARG 12 -0.202 5.621 -11.556 107 HH21 ARG 12 1HH2 ARG 12 0.790 3.907 -14.445 108 HH22 ARG 12 2HH2 ARG 12 -0.271 5.114 -13.784 109 H TYR 13 H TYR 13 5.135 1.398 -6.901 110 HA TYR 13 HA TYR 13 7.630 0.110 -6.970 111 HB2 TYR 13 2HB TYR 13 7.127 1.704 -5.206 112 HB3 TYR 13 1HB TYR 13 5.797 0.715 -4.610 113 HD1 TYR 13 HD1 TYR 13 9.538 0.570 -5.137 114 HD2 TYR 13 HD2 TYR 13 6.217 -0.758 -2.784 115 HE1 TYR 13 HE1 TYR 13 11.075 -0.529 -3.567 116 HE2 TYR 13 HE2 TYR 13 7.759 -1.840 -1.224 117 HH TYR 13 HH TYR 13 10.134 -2.777 -1.348 118 H ILE 14 H ILE 14 4.449 -1.186 -6.178 119 HA ILE 14 HA ILE 14 5.208 -3.735 -5.255 120 HB ILE 14 HB ILE 14 2.646 -2.890 -6.679 121 HG12 ILE 14 2HG1 ILE 14 3.171 -3.253 -3.690 122 HG13 ILE 14 1HG1 ILE 14 3.136 -1.692 -4.494 123 HG21 ILE 14 1HG2 ILE 14 1.642 -4.934 -5.694 124 HG22 ILE 14 2HG2 ILE 14 3.221 -5.415 -5.078 125 HG23 ILE 14 3HG2 ILE 14 2.935 -5.323 -6.819 126 HD11 ILE 14 3HD1 ILE 14 0.768 -2.092 -5.082 127 HD12 ILE 14 1HD1 ILE 14 1.073 -2.076 -3.345 128 HD13 ILE 14 2HD1 ILE 14 0.834 -3.610 -4.179 129 H MET 15 H MET 15 4.286 -2.643 -8.558 130 HA MET 15 HA MET 15 4.712 -5.216 -9.787 131 HB2 MET 15 2HB MET 15 4.786 -2.572 -11.300 132 HB3 MET 15 1HB MET 15 4.253 -4.149 -11.875 133 HG2 MET 15 2HG MET 15 2.835 -2.269 -10.005 134 HG3 MET 15 1HG MET 15 2.323 -2.799 -11.602 135 HE1 MET 15 3HE MET 15 1.135 -6.449 -10.927 136 HE2 MET 15 1HE MET 15 2.652 -5.871 -11.620 137 HE3 MET 15 2HE MET 15 1.124 -5.101 -12.066 138 H GLU 16 H GLU 16 6.712 -2.354 -9.352 139 HA GLU 16 HA GLU 16 8.858 -2.939 -11.074 140 HB2 GLU 16 2HB GLU 16 8.608 -1.183 -8.615 141 HB3 GLU 16 1HB GLU 16 10.128 -1.313 -9.487 142 HG2 GLU 16 2HG GLU 16 7.520 -0.342 -10.698 143 HG3 GLU 16 1HG GLU 16 8.798 0.700 -10.078 144 H ASP 17 H ASP 17 8.692 -3.167 -7.534 145 HA ASP 17 HA ASP 17 11.195 -4.692 -7.431 146 HB2 ASP 17 2HB ASP 17 10.951 -2.740 -5.952 147 HB3 ASP 17 1HB ASP 17 9.475 -3.407 -5.259 148 H LEU 18 H LEU 18 7.930 -4.931 -6.000 149 HA LEU 18 HA LEU 18 8.366 -7.399 -4.712 150 HB2 LEU 18 2HB LEU 18 5.837 -5.886 -5.394 151 HB3 LEU 18 1HB LEU 18 5.765 -7.435 -4.586 152 HG LEU 18 HG LEU 18 5.569 -5.706 -2.925 153 HD11 LEU 18 1HD1 LEU 18 8.361 -6.891 -2.719 154 HD12 LEU 18 2HD1 LEU 18 6.860 -7.721 -2.298 155 HD13 LEU 18 3HD1 LEU 18 7.353 -6.296 -1.399 156 HD21 LEU 18 3HD2 LEU 18 8.217 -4.537 -3.849 157 HD22 LEU 18 1HD2 LEU 18 7.255 -3.994 -2.471 158 HD23 LEU 18 2HD2 LEU 18 6.627 -3.816 -4.107 159 H ILE 19 H ILE 19 6.720 -6.737 -7.835 160 HA ILE 19 HA ILE 19 6.527 -9.586 -8.411 161 HB ILE 19 HB ILE 19 5.819 -7.172 -10.135 162 HG12 ILE 19 2HG1 ILE 19 3.477 -8.044 -10.001 163 HG13 ILE 19 1HG1 ILE 19 4.022 -9.340 -8.965 164 HG21 ILE 19 1HG2 ILE 19 5.595 -10.119 -10.856 165 HG22 ILE 19 2HG2 ILE 19 6.664 -8.935 -11.610 166 HG23 ILE 19 3HG2 ILE 19 4.918 -8.790 -11.803 167 HD11 ILE 19 3HD1 ILE 19 4.548 -7.730 -7.224 168 HD12 ILE 19 1HD1 ILE 19 2.862 -7.642 -7.733 169 HD13 ILE 19 2HD1 ILE 19 4.013 -6.421 -8.285 170 H GLY 20 H GLY 20 8.256 -6.777 -9.833 171 HA2 GLY 20 2HA GLY 20 10.665 -6.960 -10.264 172 HA3 GLY 20 1HA GLY 20 10.387 -8.614 -10.800 173 HA PRO 21 HA PRO 21 10.595 -5.829 -14.576 174 HB2 PRO 21 2HB PRO 21 11.931 -7.704 -16.145 175 HB3 PRO 21 1HB PRO 21 12.740 -6.526 -15.095 176 HG2 PRO 21 2HG PRO 21 12.099 -9.401 -14.532 177 HG3 PRO 21 1HG PRO 21 13.602 -8.495 -14.231 178 HD2 PRO 21 2HD PRO 21 11.865 -8.959 -12.243 179 HD3 PRO 21 1HD PRO 21 12.734 -7.410 -12.342 180 H SER 22 H SER 22 9.536 -9.217 -14.195 181 HA SER 22 HA SER 22 7.793 -9.118 -16.551 182 HB2 SER 22 2HB SER 22 7.977 -11.258 -14.382 183 HB3 SER 22 1HB SER 22 7.232 -11.426 -15.976 184 HG SER 22 HG SER 22 9.335 -12.328 -15.912 185 H ALA 23 H ALA 23 7.114 -7.030 -15.099 186 HA ALA 23 HA ALA 23 5.279 -7.408 -12.957 187 HB1 ALA 23 3HB ALA 23 6.600 -5.385 -13.160 188 HB2 ALA 23 1HB ALA 23 4.883 -4.980 -13.231 189 HB3 ALA 23 2HB ALA 23 5.845 -5.001 -14.713 190 H LYS 24 H LYS 24 3.247 -8.094 -13.138 191 HA LYS 24 HA LYS 24 1.833 -8.323 -15.628 192 HB2 LYS 24 2HB LYS 24 0.862 -8.813 -12.788 193 HB3 LYS 24 1HB LYS 24 0.013 -9.291 -14.257 194 HG2 LYS 24 2HG LYS 24 1.909 -10.807 -14.838 195 HG3 LYS 24 1HG LYS 24 2.714 -10.354 -13.333 196 HD2 LYS 24 2HD LYS 24 0.030 -11.761 -13.577 197 HD3 LYS 24 1HD LYS 24 1.550 -12.503 -13.088 198 HE2 LYS 24 2HE LYS 24 1.597 -11.212 -11.037 199 HE3 LYS 24 1HE LYS 24 0.204 -10.257 -11.543 200 HZ1 LYS 24 3HZ LYS 24 -1.151 -12.253 -11.456 201 HZ2 LYS 24 1HZ LYS 24 -0.415 -11.951 -9.965 202 HZ3 LYS 24 2HZ LYS 24 0.183 -13.171 -10.969 203 H GLU 25 H GLU 25 1.905 -6.096 -16.208 204 HA GLU 25 HA GLU 25 0.956 -3.897 -14.748 205 HB2 GLU 25 2HB GLU 25 0.980 -2.701 -16.950 206 HB3 GLU 25 1HB GLU 25 2.438 -3.630 -16.663 207 HG2 GLU 25 2HG GLU 25 1.634 -5.438 -18.117 208 HG3 GLU 25 1HG GLU 25 0.130 -4.557 -18.386 209 H ASP 26 H ASP 26 -0.735 -6.260 -16.586 210 HA ASP 26 HA ASP 26 -3.110 -4.970 -17.253 211 HB2 ASP 26 2HB ASP 26 -2.457 -7.176 -18.141 212 HB3 ASP 26 1HB ASP 26 -2.587 -7.888 -16.533 213 H GLU 27 H GLU 27 -2.029 -6.429 -14.264 214 HA GLU 27 HA GLU 27 -4.613 -6.157 -12.912 215 HB2 GLU 27 2HB GLU 27 -1.997 -7.395 -11.966 216 HB3 GLU 27 1HB GLU 27 -3.515 -7.410 -11.066 217 HG2 GLU 27 2HG GLU 27 -4.566 -8.619 -13.022 218 HG3 GLU 27 1HG GLU 27 -2.950 -8.764 -13.719 219 H LEU 28 H LEU 28 -2.536 -3.886 -13.601 220 HA LEU 28 HA LEU 28 -2.261 -2.660 -10.977 221 HB2 LEU 28 2HB LEU 28 -0.507 -2.679 -12.906 222 HB3 LEU 28 1HB LEU 28 -1.460 -1.401 -13.621 223 HG LEU 28 HG LEU 28 0.571 -0.642 -12.297 224 HD11 LEU 28 1HD1 LEU 28 -0.463 1.243 -11.122 225 HD12 LEU 28 2HD1 LEU 28 -2.042 0.461 -11.229 226 HD13 LEU 28 3HD1 LEU 28 -1.222 0.994 -12.698 227 HD21 LEU 28 3HD2 LEU 28 0.354 -2.351 -10.500 228 HD22 LEU 28 1HD2 LEU 28 -1.034 -1.468 -9.861 229 HD23 LEU 28 2HD2 LEU 28 0.564 -0.716 -9.891 230 H ASP 29 H ASP 29 -3.897 -1.593 -10.192 231 HA ASP 29 HA ASP 29 -5.043 0.679 -11.491 232 HB2 ASP 29 2HB ASP 29 -6.514 -1.276 -12.313 233 HB3 ASP 29 1HB ASP 29 -6.971 -1.514 -10.633 234 H ASP 30 H ASP 30 -6.507 1.816 -9.906 235 HA ASP 30 HA ASP 30 -5.222 1.735 -7.318 236 HB2 ASP 30 2HB ASP 30 -6.429 3.825 -6.861 237 HB3 ASP 30 1HB ASP 30 -5.617 3.898 -8.417 238 H GLN 31 H GLN 31 -8.499 1.170 -8.585 239 HA GLN 31 HA GLN 31 -9.495 0.409 -5.936 240 HB2 GLN 31 2HB GLN 31 -10.903 0.438 -8.633 241 HB3 GLN 31 1HB GLN 31 -11.676 0.074 -7.093 242 HG2 GLN 31 2HG GLN 31 -10.898 2.403 -6.339 243 HG3 GLN 31 1HG GLN 31 -10.541 2.709 -8.037 244 HE21 GLN 31 1HE2 GLN 31 -13.302 0.859 -6.761 245 HE22 GLN 31 2HE2 GLN 31 -14.515 1.951 -7.325 246 H THR 32 H THR 32 -7.683 -1.203 -8.206 247 HA THR 32 HA THR 32 -8.774 -3.774 -8.321 248 HB THR 32 HB THR 32 -5.915 -2.796 -8.369 249 HG1 THR 32 HG1 THR 32 -7.857 -3.465 -10.159 250 HG21 THR 32 3HG2 THR 32 -5.178 -5.119 -8.954 251 HG22 THR 32 1HG2 THR 32 -6.763 -5.710 -8.433 252 HG23 THR 32 2HG2 THR 32 -5.677 -4.952 -7.264 253 HA PRO 33 HA PRO 33 -8.643 -4.787 -3.876 254 HB2 PRO 33 2HB PRO 33 -9.668 -7.344 -4.101 255 HB3 PRO 33 1HB PRO 33 -10.660 -5.873 -4.146 256 HG2 PRO 33 2HG PRO 33 -9.743 -7.581 -6.403 257 HG3 PRO 33 1HG PRO 33 -11.285 -6.742 -6.172 258 HD2 PRO 33 2HD PRO 33 -9.284 -5.811 -7.797 259 HD3 PRO 33 1HD PRO 33 -10.499 -4.765 -7.037 260 H LEU 34 H LEU 34 -6.653 -5.064 -3.146 261 HA LEU 34 HA LEU 34 -4.607 -6.351 -4.622 262 HB2 LEU 34 2HB LEU 34 -4.530 -5.087 -1.861 263 HB3 LEU 34 1HB LEU 34 -3.141 -5.476 -2.861 264 HG LEU 34 HG LEU 34 -5.249 -3.387 -3.523 265 HD11 LEU 34 1HD1 LEU 34 -2.376 -3.015 -2.619 266 HD12 LEU 34 2HD1 LEU 34 -3.827 -2.658 -1.675 267 HD13 LEU 34 3HD1 LEU 34 -3.480 -1.734 -3.135 268 HD21 LEU 34 3HD2 LEU 34 -4.375 -4.362 -5.581 269 HD22 LEU 34 1HD2 LEU 34 -2.715 -4.113 -5.029 270 HD23 LEU 34 2HD2 LEU 34 -3.753 -2.728 -5.376 271 H LEU 35 H LEU 35 -6.141 -7.109 -1.431 272 HA LEU 35 HA LEU 35 -4.470 -9.397 -0.915 273 HB2 LEU 35 2HB LEU 35 -7.137 -8.563 0.257 274 HB3 LEU 35 1HB LEU 35 -6.414 -10.102 0.684 275 HG LEU 35 HG LEU 35 -5.937 -8.519 2.434 276 HD11 LEU 35 1HD1 LEU 35 -3.494 -8.612 2.576 277 HD12 LEU 35 2HD1 LEU 35 -3.376 -8.979 0.855 278 HD13 LEU 35 3HD1 LEU 35 -4.136 -10.131 1.957 279 HD21 LEU 35 3HD2 LEU 35 -4.685 -6.700 0.357 280 HD22 LEU 35 1HD2 LEU 35 -4.683 -6.447 2.105 281 HD23 LEU 35 2HD2 LEU 35 -6.204 -6.425 1.217 282 H GLU 36 H GLU 36 -7.576 -8.937 -2.471 283 HA GLU 36 HA GLU 36 -8.349 -11.633 -2.798 284 HB2 GLU 36 2HB GLU 36 -9.968 -9.763 -3.004 285 HB3 GLU 36 1HB GLU 36 -9.140 -9.185 -4.448 286 HG2 GLU 36 2HG GLU 36 -9.729 -11.344 -5.588 287 HG3 GLU 36 1HG GLU 36 -10.650 -11.802 -4.156 288 H TRP 37 H TRP 37 -6.292 -9.476 -4.729 289 HA TRP 37 HA TRP 37 -6.140 -11.496 -6.921 290 HB2 TRP 37 2HB TRP 37 -5.229 -8.595 -6.751 291 HB3 TRP 37 1HB TRP 37 -4.841 -9.634 -8.116 292 HD1 TRP 37 HD1 TRP 37 -8.354 -9.875 -6.594 293 HE1 TRP 37 HE1 TRP 37 -10.065 -8.910 -8.216 294 HE3 TRP 37 HE3 TRP 37 -5.149 -7.937 -10.056 295 HZ2 TRP 37 HZ2 TRP 37 -10.078 -7.517 -10.664 296 HZ3 TRP 37 HZ3 TRP 37 -6.104 -6.799 -12.022 297 HH2 TRP 37 HH2 TRP 37 -8.514 -6.596 -12.314 298 H GLY 38 H GLY 38 -4.618 -11.022 -4.052 299 HA2 GLY 38 2HA GLY 38 -2.815 -12.137 -3.158 300 HA3 GLY 38 1HA GLY 38 -2.494 -12.850 -4.731 301 H ILE 39 H ILE 39 -2.708 -9.437 -4.586 302 HA ILE 39 HA ILE 39 -0.105 -9.008 -5.681 303 HB ILE 39 HB ILE 39 -2.295 -7.115 -4.683 304 HG12 ILE 39 2HG1 ILE 39 -1.484 -7.980 -7.497 305 HG13 ILE 39 1HG1 ILE 39 -2.937 -8.483 -6.643 306 HG21 ILE 39 1HG2 ILE 39 0.175 -6.318 -6.252 307 HG22 ILE 39 2HG2 ILE 39 -0.143 -5.926 -4.563 308 HG23 ILE 39 3HG2 ILE 39 -1.173 -5.260 -5.831 309 HD11 ILE 39 3HD1 ILE 39 -3.732 -6.146 -6.703 310 HD12 ILE 39 1HD1 ILE 39 -3.469 -6.839 -8.305 311 HD13 ILE 39 2HD1 ILE 39 -2.294 -5.711 -7.633 312 H LEU 40 H LEU 40 -1.492 -8.885 -2.473 313 HA LEU 40 HA LEU 40 0.989 -7.755 -1.319 314 HB2 LEU 40 2HB LEU 40 -1.793 -7.806 -0.146 315 HB3 LEU 40 1HB LEU 40 -0.381 -7.058 0.561 316 HG LEU 40 HG LEU 40 -1.851 -6.149 -1.924 317 HD11 LEU 40 1HD1 LEU 40 -3.017 -5.595 0.111 318 HD12 LEU 40 2HD1 LEU 40 -2.320 -4.142 -0.594 319 HD13 LEU 40 3HD1 LEU 40 -1.553 -4.882 0.814 320 HD21 LEU 40 3HD2 LEU 40 0.526 -5.778 -2.294 321 HD22 LEU 40 1HD2 LEU 40 0.676 -4.984 -0.722 322 HD23 LEU 40 2HD2 LEU 40 -0.289 -4.242 -2.002 323 H ASN 41 H ASN 41 -1.622 -9.566 0.227 324 HA ASN 41 HA ASN 41 -1.590 -11.196 1.810 325 HB2 ASN 41 2HB ASN 41 -0.416 -12.591 -0.630 326 HB3 ASN 41 1HB ASN 41 -1.127 -13.437 0.741 327 HD21 ASN 41 1HD2 ASN 41 -2.725 -14.377 -0.607 328 HD22 ASN 41 2HD2 ASN 41 -4.062 -13.455 -1.206 329 H SER 42 H SER 42 0.126 -9.956 3.003 330 HA SER 42 HA SER 42 1.632 -10.086 4.643 331 HB2 SER 42 3HB SER 42 2.119 -12.963 3.813 332 HB3 SER 42 2HB SER 42 2.689 -12.235 5.310 333 H MET 43 H MET 43 3.168 -12.059 2.053 334 HA MET 43 HA MET 43 5.799 -11.447 2.723 335 HB2 MET 43 2HB MET 43 4.759 -12.286 -0.010 336 HB3 MET 43 1HB MET 43 6.417 -12.464 0.564 337 HG2 MET 43 2HG MET 43 3.989 -13.880 1.704 338 HG3 MET 43 1HG MET 43 5.189 -14.593 0.632 339 HE1 MET 43 3HE MET 43 5.638 -13.953 5.186 340 HE2 MET 43 1HE MET 43 4.146 -14.348 4.331 341 HE3 MET 43 2HE MET 43 4.851 -12.740 4.169 342 H ASN 44 H ASN 44 3.682 -9.910 0.400 343 HA ASN 44 HA ASN 44 5.702 -7.971 -0.469 344 HB2 ASN 44 2HB ASN 44 2.756 -8.158 -1.225 345 HB3 ASN 44 1HB ASN 44 3.961 -7.134 -2.003 346 HD21 ASN 44 1HD2 ASN 44 2.692 -10.373 -1.757 347 HD22 ASN 44 2HD2 ASN 44 3.626 -11.036 -3.039 348 H ILE 45 H ILE 45 2.900 -8.142 1.658 349 HA ILE 45 HA ILE 45 2.303 -5.449 2.113 350 HB ILE 45 HB ILE 45 1.770 -8.029 3.502 351 HG12 ILE 45 2HG1 ILE 45 -0.062 -5.650 3.081 352 HG13 ILE 45 1HG1 ILE 45 0.240 -6.876 1.865 353 HG21 ILE 45 1HG2 ILE 45 0.855 -7.122 5.584 354 HG22 ILE 45 2HG2 ILE 45 1.447 -5.518 5.148 355 HG23 ILE 45 3HG2 ILE 45 2.596 -6.823 5.464 356 HD11 ILE 45 3HD1 ILE 45 -1.842 -7.314 2.935 357 HD12 ILE 45 1HD1 ILE 45 -1.090 -7.272 4.531 358 HD13 ILE 45 2HD1 ILE 45 -0.692 -8.572 3.401 359 H VAL 46 H VAL 46 4.827 -7.424 3.585 360 HA VAL 46 HA VAL 46 5.464 -5.717 5.762 361 HB VAL 46 HB VAL 46 7.257 -7.764 4.392 362 HG11 VAL 46 1HG1 VAL 46 7.434 -6.559 7.182 363 HG12 VAL 46 2HG1 VAL 46 8.526 -6.206 5.841 364 HG13 VAL 46 3HG1 VAL 46 8.489 -7.824 6.542 365 HG21 VAL 46 3HG2 VAL 46 5.415 -8.118 6.791 366 HG22 VAL 46 1HG2 VAL 46 6.514 -9.341 6.146 367 HG23 VAL 46 2HG2 VAL 46 5.145 -8.785 5.182 368 H LYS 47 H LYS 47 6.487 -5.793 2.402 369 HA LYS 47 HA LYS 47 8.624 -3.902 2.612 370 HB2 LYS 47 2HB LYS 47 7.039 -4.870 0.215 371 HB3 LYS 47 1HB LYS 47 8.301 -3.646 0.074 372 HG2 LYS 47 2HG LYS 47 9.235 -5.766 -0.531 373 HG3 LYS 47 1HG LYS 47 9.941 -5.270 1.005 374 HD2 LYS 47 2HD LYS 47 8.507 -6.836 2.216 375 HD3 LYS 47 1HD LYS 47 7.656 -7.252 0.729 376 HE2 LYS 47 2HE LYS 47 9.274 -8.997 1.317 377 HE3 LYS 47 1HE LYS 47 9.744 -8.214 -0.190 378 HZ1 LYS 47 3HZ LYS 47 11.397 -6.971 0.962 379 HZ2 LYS 47 1HZ LYS 47 11.590 -8.596 1.363 380 HZ3 LYS 47 2HZ LYS 47 10.881 -7.540 2.465 381 H LEU 48 H LEU 48 5.151 -3.670 2.125 382 HA LEU 48 HA LEU 48 5.071 -0.867 1.543 383 HB2 LEU 48 2HB LEU 48 2.926 -2.814 2.455 384 HB3 LEU 48 1HB LEU 48 2.586 -1.097 2.314 385 HG LEU 48 HG LEU 48 1.777 -2.124 0.310 386 HD11 LEU 48 1HD1 LEU 48 4.410 -0.753 -0.383 387 HD12 LEU 48 2HD1 LEU 48 2.871 0.048 -0.062 388 HD13 LEU 48 3HD1 LEU 48 3.040 -0.988 -1.474 389 HD21 LEU 48 3HD2 LEU 48 3.093 -3.492 -1.229 390 HD22 LEU 48 1HD2 LEU 48 3.027 -4.240 0.367 391 HD23 LEU 48 2HD2 LEU 48 4.491 -3.404 -0.152 392 H MET 49 H MET 49 4.971 -2.749 4.560 393 HA MET 49 HA MET 49 4.199 -0.775 6.409 394 HB2 MET 49 2HB MET 49 6.302 -2.934 6.919 395 HB3 MET 49 1HB MET 49 5.421 -2.040 8.150 396 HG2 MET 49 2HG MET 49 3.334 -3.136 7.465 397 HG3 MET 49 1HG MET 49 4.218 -4.028 6.215 398 HE1 MET 49 3HE MET 49 3.746 -6.958 8.771 399 HE2 MET 49 1HE MET 49 3.877 -6.582 7.051 400 HE3 MET 49 2HE MET 49 2.618 -5.825 8.027 401 H VAL 50 H VAL 50 7.436 -1.686 5.276 402 HA VAL 50 HA VAL 50 8.772 0.439 6.705 403 HB VAL 50 HB VAL 50 9.832 -1.792 6.387 404 HG11 VAL 50 1HG1 VAL 50 10.877 -2.394 4.216 405 HG12 VAL 50 2HG1 VAL 50 10.077 -1.013 3.454 406 HG13 VAL 50 3HG1 VAL 50 9.115 -2.343 4.112 407 HG21 VAL 50 3HG2 VAL 50 11.426 0.502 5.204 408 HG22 VAL 50 1HG2 VAL 50 12.107 -0.984 5.861 409 HG23 VAL 50 2HG2 VAL 50 11.248 0.136 6.920 410 H TYR 51 H TYR 51 7.500 0.021 3.458 411 HA TYR 51 HA TYR 51 9.027 1.951 2.058 412 HB2 TYR 51 2HB TYR 51 7.394 0.309 0.974 413 HB3 TYR 51 1HB TYR 51 6.084 1.330 1.529 414 HD1 TYR 51 HD1 TYR 51 9.120 1.312 -0.630 415 HD2 TYR 51 HD2 TYR 51 5.449 3.305 0.261 416 HE1 TYR 51 HE1 TYR 51 9.373 2.691 -2.651 417 HE2 TYR 51 HE2 TYR 51 5.697 4.684 -1.750 418 HH TYR 51 HH TYR 51 7.951 4.023 -4.208 419 H ILE 52 H ILE 52 5.853 2.192 3.532 420 HA ILE 52 HA ILE 52 5.363 4.964 3.086 421 HB ILE 52 HB ILE 52 4.124 2.981 5.068 422 HG12 ILE 52 2HG1 ILE 52 3.063 3.761 2.312 423 HG13 ILE 52 1HG1 ILE 52 4.124 2.378 2.551 424 HG21 ILE 52 1HG2 ILE 52 2.964 5.587 4.045 425 HG22 ILE 52 2HG2 ILE 52 3.557 5.297 5.673 426 HG23 ILE 52 3HG2 ILE 52 2.132 4.429 5.093 427 HD11 ILE 52 3HD1 ILE 52 1.404 2.730 3.794 428 HD12 ILE 52 1HD1 ILE 52 2.477 1.338 3.986 429 HD13 ILE 52 2HD1 ILE 52 1.807 1.722 2.401 430 H ARG 53 H ARG 53 6.788 3.157 5.754 431 HA ARG 53 HA ARG 53 7.125 5.142 7.717 432 HB2 ARG 53 2HB ARG 53 7.525 2.827 8.255 433 HB3 ARG 53 1HB ARG 53 8.711 2.659 6.972 434 HG2 ARG 53 2HG ARG 53 9.923 2.625 9.002 435 HG3 ARG 53 1HG ARG 53 10.227 4.206 8.289 436 HD2 ARG 53 2HD ARG 53 8.070 3.836 10.368 437 HD3 ARG 53 1HD ARG 53 9.751 3.998 10.849 438 HE ARG 53 HE ARG 53 9.544 6.188 9.425 439 HH11 ARG 53 1HH1 ARG 53 7.106 4.870 11.595 440 HH12 ARG 53 2HH1 ARG 53 6.484 6.432 12.018 441 HH21 ARG 53 1HH2 ARG 53 8.815 8.229 10.153 442 HH22 ARG 53 2HH2 ARG 53 7.439 8.329 11.211 443 H ASP 54 H ASP 54 9.275 4.144 5.092 444 HA ASP 54 HA ASP 54 11.370 6.041 5.547 445 HB2 ASP 54 2HB ASP 54 11.803 3.867 4.498 446 HB3 ASP 54 1HB ASP 54 10.670 4.211 3.202 447 H GLU 55 H GLU 55 8.490 5.972 3.564 448 HA GLU 55 HA GLU 55 9.413 7.915 1.625 449 HB2 GLU 55 2HB GLU 55 8.186 5.884 0.951 450 HB3 GLU 55 1HB GLU 55 6.795 6.389 1.902 451 HG2 GLU 55 2HG GLU 55 6.421 6.768 -0.455 452 HG3 GLU 55 1HG GLU 55 6.446 8.294 0.417 453 H MET 56 H MET 56 6.735 7.724 4.001 454 HA MET 56 HA MET 56 6.376 10.676 3.748 455 HB2 MET 56 2HB MET 56 3.998 10.407 3.804 456 HB3 MET 56 1HB MET 56 4.612 9.336 2.566 457 HG2 MET 56 2HG MET 56 4.465 7.493 4.329 458 HG3 MET 56 1HG MET 56 3.548 8.654 5.292 459 HE1 MET 56 3HE MET 56 2.237 6.755 1.306 460 HE2 MET 56 1HE MET 56 3.580 6.216 2.312 461 HE3 MET 56 2HE MET 56 3.702 7.734 1.421 462 H GLY 57 H GLY 57 7.413 8.365 5.793 463 HA2 GLY 57 2HA GLY 57 7.991 8.506 8.006 464 HA3 GLY 57 1HA GLY 57 7.199 10.071 8.093 465 H VAL 58 H VAL 58 5.678 7.012 7.120 466 HA VAL 58 HA VAL 58 4.162 6.899 9.683 467 HB VAL 58 HB VAL 58 3.056 6.568 6.846 468 HG11 VAL 58 1HG1 VAL 58 1.616 6.095 9.472 469 HG12 VAL 58 2HG1 VAL 58 2.023 4.876 8.259 470 HG13 VAL 58 3HG1 VAL 58 0.842 6.136 7.882 471 HG21 VAL 58 3HG2 VAL 58 3.261 8.914 7.508 472 HG22 VAL 58 1HG2 VAL 58 2.343 8.597 8.984 473 HG23 VAL 58 2HG2 VAL 58 1.562 8.443 7.407 474 H SER 59 H SER 59 4.873 5.018 10.610 475 HA SER 59 HA SER 59 5.335 2.605 9.019 476 HB2 SER 59 2HB SER 59 5.700 1.614 11.388 477 HB3 SER 59 1HB SER 59 6.830 2.863 10.874 478 HG SER 59 HG SER 59 4.585 3.207 12.581 479 H ILE 60 H ILE 60 3.637 1.273 8.495 480 HA ILE 60 HA ILE 60 1.053 1.381 9.758 481 HB ILE 60 HB ILE 60 2.201 -0.937 8.124 482 HG12 ILE 60 2HG1 ILE 60 2.154 1.302 6.856 483 HG13 ILE 60 1HG1 ILE 60 1.247 -0.017 6.119 484 HG21 ILE 60 1HG2 ILE 60 0.245 -1.579 9.447 485 HG22 ILE 60 2HG2 ILE 60 -0.186 -1.524 7.742 486 HG23 ILE 60 3HG2 ILE 60 -0.685 -0.215 8.816 487 HD11 ILE 60 3HD1 ILE 60 0.100 2.284 7.704 488 HD12 ILE 60 1HD1 ILE 60 -0.847 0.931 7.068 489 HD13 ILE 60 2HD1 ILE 60 -0.010 2.029 5.964 490 HA PRO 61 HA PRO 61 2.778 -0.979 13.282 491 HB2 PRO 61 2HB PRO 61 0.677 -0.655 15.007 492 HB3 PRO 61 1HB PRO 61 1.823 0.659 14.661 493 HG2 PRO 61 2HG PRO 61 -0.897 0.198 13.488 494 HG3 PRO 61 1HG PRO 61 -0.180 1.704 14.103 495 HD2 PRO 61 2HD PRO 61 -0.276 1.088 11.453 496 HD3 PRO 61 1HD PRO 61 1.026 2.071 12.156 497 H SER 62 H SER 62 2.112 -2.860 14.484 498 HA SER 62 HA SER 62 1.248 -4.928 12.802 499 HB2 SER 62 2HB SER 62 1.484 -6.286 14.961 500 HB3 SER 62 1HB SER 62 2.899 -5.370 14.454 501 HG SER 62 HG SER 62 1.530 -5.199 16.752 502 H THR 63 H THR 63 -0.526 -2.997 15.131 503 HA THR 63 HA THR 63 -2.880 -4.628 15.237 504 HB THR 63 HB THR 63 -2.410 -3.072 17.042 505 HG1 THR 63 HG1 THR 63 -4.777 -2.387 15.594 506 HG21 THR 63 3HG2 THR 63 -2.821 -0.810 15.052 507 HG22 THR 63 1HG2 THR 63 -1.277 -1.278 15.773 508 HG23 THR 63 2HG2 THR 63 -2.568 -0.635 16.788 509 H HIS 64 H HIS 64 -1.747 -2.145 13.019 510 HA HIS 64 HA HIS 64 -4.322 -1.991 11.598 511 HB2 HIS 64 2HB HIS 64 -1.779 -0.380 11.526 512 HB3 HIS 64 1HB HIS 64 -2.765 -0.420 10.070 513 HD1 HIS 64 HD1 HIS 64 -2.900 0.756 13.671 514 HD2 HIS 64 HD2 HIS 64 -5.069 1.126 10.150 515 HE1 HIS 64 HE1 HIS 64 -4.605 2.544 14.114 516 HE2 HIS 64 HE2 HIS 64 -5.937 2.725 11.982 517 H ILE 65 H ILE 65 -2.097 -4.329 11.649 518 HA ILE 65 HA ILE 65 -1.868 -4.747 8.761 519 HB ILE 65 HB ILE 65 -0.961 -6.530 11.069 520 HG12 ILE 65 2HG1 ILE 65 0.258 -4.401 11.062 521 HG13 ILE 65 1HG1 ILE 65 1.327 -5.692 10.529 522 HG21 ILE 65 1HG2 ILE 65 0.414 -7.717 9.385 523 HG22 ILE 65 2HG2 ILE 65 -0.293 -6.728 8.102 524 HG23 ILE 65 3HG2 ILE 65 -1.305 -7.845 9.018 525 HD11 ILE 65 3HD1 ILE 65 1.629 -3.671 9.235 526 HD12 ILE 65 1HD1 ILE 65 -0.064 -3.701 8.743 527 HD13 ILE 65 2HD1 ILE 65 1.034 -4.981 8.211 528 H THR 66 H THR 66 -3.995 -4.877 8.220 529 HA THR 66 HA THR 66 -5.086 -7.528 8.296 530 HB THR 66 HB THR 66 -6.260 -6.833 10.247 531 HG1 THR 66 HG1 THR 66 -7.929 -7.652 9.241 532 HG21 THR 66 3HG2 THR 66 -7.472 -4.714 10.480 533 HG22 THR 66 1HG2 THR 66 -6.949 -4.228 8.866 534 HG23 THR 66 2HG2 THR 66 -5.759 -4.422 10.157 535 H GLY 67 H GLY 67 -6.715 -7.833 6.654 536 HA2 GLY 67 2HA GLY 67 -6.029 -6.613 4.208 537 HA3 GLY 67 1HA GLY 67 -7.370 -7.707 4.477 538 H LYS 68 H LYS 68 -8.455 -5.667 6.571 539 HA LYS 68 HA LYS 68 -10.287 -4.351 4.819 540 HB2 LYS 68 2HB LYS 68 -11.308 -3.399 6.762 541 HB3 LYS 68 1HB LYS 68 -10.825 -5.040 7.166 542 HG2 LYS 68 2HG LYS 68 -8.912 -4.229 8.434 543 HG3 LYS 68 1HG LYS 68 -9.218 -2.574 7.921 544 HD2 LYS 68 2HD LYS 68 -10.019 -2.677 10.151 545 HD3 LYS 68 1HD LYS 68 -11.466 -2.751 9.151 546 HE2 LYS 68 2HE LYS 68 -10.117 -5.182 10.373 547 HE3 LYS 68 1HE LYS 68 -11.472 -4.327 11.107 548 HZ1 LYS 68 3HZ LYS 68 -12.754 -4.829 9.066 549 HZ2 LYS 68 1HZ LYS 68 -12.293 -6.203 9.936 550 HZ3 LYS 68 2HZ LYS 68 -11.469 -5.784 8.529 551 H TYR 69 H TYR 69 -7.247 -3.375 6.151 552 HA TYR 69 HA TYR 69 -7.608 -0.541 5.431 553 HB2 TYR 69 2HB TYR 69 -5.387 -2.000 6.910 554 HB3 TYR 69 1HB TYR 69 -5.364 -0.273 6.548 555 HD1 TYR 69 HD2 TYR 69 -8.191 0.529 7.074 556 HD2 TYR 69 HD1 TYR 69 -5.643 -2.102 9.292 557 HE1 TYR 69 HE2 TYR 69 -9.491 0.975 9.076 558 HE2 TYR 69 HE1 TYR 69 -6.971 -1.641 11.307 559 HH TYR 69 HH TYR 69 -9.984 -0.068 11.205 560 H PHE 70 H PHE 70 -6.351 -3.389 4.133 561 HA PHE 70 HA PHE 70 -4.606 -1.965 2.209 562 HB2 PHE 70 2HB PHE 70 -4.436 -4.750 3.422 563 HB3 PHE 70 1HB PHE 70 -3.558 -4.329 1.963 564 HD1 PHE 70 HD2 PHE 70 -3.756 -3.748 5.626 565 HD2 PHE 70 HD1 PHE 70 -1.570 -2.908 2.044 566 HE1 PHE 70 HE2 PHE 70 -1.857 -2.946 6.965 567 HE2 PHE 70 HE1 PHE 70 0.324 -2.109 3.388 568 HZ PHE 70 HZ PHE 70 0.187 -2.124 5.849 569 H LYS 71 H LYS 71 -7.651 -2.746 2.199 570 HA LYS 71 HA LYS 71 -8.322 -4.842 0.543 571 HB2 LYS 71 2HB LYS 71 -9.674 -2.132 0.567 572 HB3 LYS 71 1HB LYS 71 -10.390 -3.613 -0.069 573 HG2 LYS 71 2HG LYS 71 -10.594 -4.577 2.084 574 HG3 LYS 71 1HG LYS 71 -9.485 -3.401 2.801 575 HD2 LYS 71 2HD LYS 71 -11.783 -2.907 3.452 576 HD3 LYS 71 1HD LYS 71 -11.143 -1.606 2.447 577 HE2 LYS 71 2HE LYS 71 -13.480 -2.175 1.880 578 HE3 LYS 71 1HE LYS 71 -12.394 -2.463 0.520 579 HZ1 LYS 71 3HZ LYS 71 -13.950 -4.262 0.783 580 HZ2 LYS 71 1HZ LYS 71 -13.452 -4.533 2.377 581 HZ3 LYS 71 2HZ LYS 71 -12.387 -4.817 1.091 582 H ASP 72 H ASP 72 -7.548 -1.571 -0.431 583 HA ASP 72 HA ASP 72 -6.417 -2.310 -2.952 584 HB2 ASP 72 2HB ASP 72 -7.932 -1.108 -4.424 585 HB3 ASP 72 1HB ASP 72 -8.874 -2.278 -3.507 586 H LEU 73 H LEU 73 -6.115 0.094 -4.131 587 HA LEU 73 HA LEU 73 -4.225 1.368 -2.430 588 HB2 LEU 73 2HB LEU 73 -3.980 1.313 -4.893 589 HB3 LEU 73 1HB LEU 73 -5.376 2.367 -5.053 590 HG LEU 73 HG LEU 73 -4.093 4.147 -3.762 591 HD11 LEU 73 1HD1 LEU 73 -1.641 3.894 -3.572 592 HD12 LEU 73 2HD1 LEU 73 -1.772 2.223 -4.116 593 HD13 LEU 73 3HD1 LEU 73 -2.503 2.715 -2.585 594 HD21 LEU 73 3HD2 LEU 73 -4.256 4.291 -6.196 595 HD22 LEU 73 1HD2 LEU 73 -2.872 3.211 -6.382 596 HD23 LEU 73 2HD2 LEU 73 -2.657 4.809 -5.669 597 H ASN 74 H ASN 74 -7.570 2.164 -3.262 598 HA ASN 74 HA ASN 74 -7.502 4.781 -2.022 599 HB2 ASN 74 2HB ASN 74 -9.934 3.172 -2.896 600 HB3 ASN 74 1HB ASN 74 -9.915 4.884 -2.480 601 HD21 ASN 74 1HD2 ASN 74 -10.857 3.843 -4.875 602 HD22 ASN 74 2HD2 ASN 74 -9.845 4.403 -6.156 603 H ALA 75 H ALA 75 -8.288 1.505 -0.978 604 HA ALA 75 HA ALA 75 -9.424 2.241 1.566 605 HB1 ALA 75 3HB ALA 75 -8.045 -0.328 0.746 606 HB2 ALA 75 1HB ALA 75 -9.769 0.022 0.596 607 HB3 ALA 75 2HB ALA 75 -9.032 -0.099 2.195 608 H ILE 76 H ILE 76 -6.165 1.465 0.447 609 HA ILE 76 HA ILE 76 -4.751 1.907 2.870 610 HB ILE 76 HB ILE 76 -3.785 2.084 -0.023 611 HG12 ILE 76 2HG1 ILE 76 -3.454 -0.126 2.052 612 HG13 ILE 76 1HG1 ILE 76 -4.577 -0.180 0.697 613 HG21 ILE 76 1HG2 ILE 76 -2.091 2.043 2.513 614 HG22 ILE 76 2HG2 ILE 76 -2.284 3.420 1.431 615 HG23 ILE 76 3HG2 ILE 76 -1.464 1.968 0.861 616 HD11 ILE 76 3HD1 ILE 76 -2.661 -1.534 0.255 617 HD12 ILE 76 1HD1 ILE 76 -1.569 -0.184 0.551 618 HD13 ILE 76 2HD1 ILE 76 -2.653 -0.157 -0.847 619 H SER 77 H SER 77 -5.944 4.036 0.322 620 HA SER 77 HA SER 77 -4.574 6.405 1.000 621 HB2 SER 77 2HB SER 77 -5.936 6.097 -1.089 622 HB3 SER 77 1HB SER 77 -7.403 6.182 -0.120 623 HG SER 77 HG SER 77 -6.356 8.328 0.572 624 H ARG 78 H ARG 78 -7.510 4.950 2.348 625 HA ARG 78 HA ARG 78 -8.190 7.217 4.010 626 HB2 ARG 78 2HB ARG 78 -9.098 4.346 4.407 627 HB3 ARG 78 1HB ARG 78 -9.906 5.808 4.964 628 HG2 ARG 78 2HG ARG 78 -9.665 4.792 2.125 629 HG3 ARG 78 1HG ARG 78 -11.126 4.957 3.089 630 HD2 ARG 78 2HD ARG 78 -11.035 7.372 2.946 631 HD3 ARG 78 1HD ARG 78 -9.426 7.316 2.219 632 HE ARG 78 HE ARG 78 -11.669 6.072 0.797 633 HH11 ARG 78 1HH1 ARG 78 -9.372 8.718 0.967 634 HH12 ARG 78 2HH1 ARG 78 -9.663 9.237 -0.665 635 HH21 ARG 78 1HH2 ARG 78 -12.017 6.738 -1.331 636 HH22 ARG 78 2HH2 ARG 78 -11.171 8.110 -1.973 637 H THR 79 H THR 79 -6.491 4.174 4.446 638 HA THR 79 HA THR 79 -6.212 4.323 7.273 639 HB THR 79 HB THR 79 -4.599 2.627 5.332 640 HG1 THR 79 HG1 THR 79 -6.440 1.661 4.994 641 HG21 THR 79 3HG2 THR 79 -4.367 1.083 7.260 642 HG22 THR 79 1HG2 THR 79 -5.264 2.202 8.286 643 HG23 THR 79 2HG2 THR 79 -3.675 2.655 7.662 644 H VAL 80 H VAL 80 -4.192 5.328 4.591 645 HA VAL 80 HA VAL 80 -1.789 5.519 6.184 646 HB VAL 80 HB VAL 80 -1.803 4.939 3.721 647 HG11 VAL 80 1HG1 VAL 80 -2.275 7.916 3.261 648 HG12 VAL 80 2HG1 VAL 80 -3.400 6.616 2.863 649 HG13 VAL 80 3HG1 VAL 80 -1.851 6.732 2.022 650 HG21 VAL 80 3HG2 VAL 80 -0.045 7.258 4.545 651 HG22 VAL 80 1HG2 VAL 80 0.274 6.150 3.206 652 HG23 VAL 80 2HG2 VAL 80 0.251 5.546 4.865 653 H GLU 81 H GLU 81 -4.323 7.718 4.993 654 HA GLU 81 HA GLU 81 -2.975 10.131 5.818 655 HB2 GLU 81 2HB GLU 81 -5.927 9.746 5.171 656 HB3 GLU 81 1HB GLU 81 -5.103 11.291 5.338 657 HG2 GLU 81 2HG GLU 81 -4.700 9.229 3.172 658 HG3 GLU 81 1HG GLU 81 -5.465 10.797 2.997 659 H GLN 82 H GLN 82 -5.311 7.907 7.288 660 HA GLN 82 HA GLN 82 -6.007 9.575 9.501 661 HB2 GLN 82 2HB GLN 82 -7.175 7.741 10.423 662 HB3 GLN 82 1HB GLN 82 -7.341 7.552 8.686 663 HG2 GLN 82 2HG GLN 82 -5.663 5.780 8.682 664 HG3 GLN 82 1HG GLN 82 -5.351 6.023 10.393 665 HE21 GLN 82 1HE2 GLN 82 -6.926 5.347 11.909 666 HE22 GLN 82 2HE2 GLN 82 -8.133 4.167 11.481 667 H LEU 83 H LEU 83 -3.497 7.168 8.944 668 HA LEU 83 HA LEU 83 -2.466 7.112 11.614 669 HB2 LEU 83 2HB LEU 83 -1.294 6.224 8.966 670 HB3 LEU 83 1HB LEU 83 -0.460 6.001 10.497 671 HG LEU 83 HG LEU 83 -3.175 4.791 9.845 672 HD11 LEU 83 1HD1 LEU 83 -0.456 3.458 9.863 673 HD12 LEU 83 2HD1 LEU 83 -1.415 3.837 8.425 674 HD13 LEU 83 3HD1 LEU 83 -2.016 2.665 9.602 675 HD21 LEU 83 3HD2 LEU 83 -1.311 4.357 12.205 676 HD22 LEU 83 1HD2 LEU 83 -2.763 3.408 11.863 677 HD23 LEU 83 2HD2 LEU 83 -2.902 5.121 12.243 678 H LYS 84 H LYS 84 -1.758 9.033 8.740 679 HA LYS 84 HA LYS 84 0.447 10.496 9.769 680 HB2 LYS 84 2HB LYS 84 -1.751 11.489 7.910 681 HB3 LYS 84 1HB LYS 84 -0.232 12.327 8.227 682 HG2 LYS 84 2HG LYS 84 1.030 10.494 7.231 683 HG3 LYS 84 1HG LYS 84 -0.464 9.586 7.003 684 HD2 LYS 84 2HD LYS 84 -1.275 11.514 5.529 685 HD3 LYS 84 1HD LYS 84 0.381 12.131 5.586 686 HE2 LYS 84 2HE LYS 84 1.178 9.972 4.640 687 HE3 LYS 84 1HE LYS 84 -0.498 9.425 4.552 688 HZ1 LYS 84 3HZ LYS 84 0.167 10.215 2.411 689 HZ2 LYS 84 1HZ LYS 84 0.690 11.696 3.044 690 HZ3 LYS 84 2HZ LYS 84 -0.955 11.298 3.050 691 H ALA 85 H ALA 85 -3.047 11.173 9.920 692 HA ALA 85 HA ALA 85 -2.955 13.460 11.575 693 HB1 ALA 85 3HB ALA 85 -4.974 12.767 10.331 694 HB2 ALA 85 1HB ALA 85 -5.330 13.023 12.044 695 HB3 ALA 85 2HB ALA 85 -5.167 11.384 11.407 696 H GLU 86 H GLU 86 -2.820 10.044 12.441 697 HA GLU 86 HA GLU 86 -3.210 10.376 15.278 698 HB2 GLU 86 2HB GLU 86 -2.248 8.023 13.608 699 HB3 GLU 86 1HB GLU 86 -2.448 7.936 15.358 700 HG2 GLU 86 2HG GLU 86 -4.823 8.304 15.189 701 HG3 GLU 86 1HG GLU 86 -4.704 8.672 13.469 702 H SER 87 H SER 87 -0.390 9.913 13.184 703 HA SER 87 HA SER 87 1.426 9.612 15.454 704 HB2 SER 87 2HB SER 87 1.637 8.133 13.454 705 HB3 SER 87 1HB SER 87 2.005 9.542 12.459 706 HG SER 87 HG SER 87 3.528 8.921 14.756 707 H ALA 88 H ALA 88 0.522 12.087 13.157 708 HA ALA 88 HA ALA 88 2.857 13.769 13.604 709 HB1 ALA 88 3HB ALA 88 1.766 13.707 11.393 710 HB2 ALA 88 1HB ALA 88 1.767 15.340 12.059 711 HB3 ALA 88 2HB ALA 88 0.287 14.373 12.084 712 H LEU 89 H LEU 89 2.307 16.142 13.985 713 HA LEU 89 HA LEU 89 1.399 16.566 16.622 714 HB2 LEU 89 2HB LEU 89 1.844 18.883 16.284 715 HB3 LEU 89 1HB LEU 89 3.102 17.971 15.476 716 HG LEU 89 HG LEU 89 0.759 19.280 14.003 717 HD11 LEU 89 1HD1 LEU 89 2.161 20.990 15.108 718 HD12 LEU 89 2HD1 LEU 89 2.336 21.055 13.356 719 HD13 LEU 89 3HD1 LEU 89 3.598 20.312 14.341 720 HD21 LEU 89 3HD2 LEU 89 1.768 17.416 12.748 721 HD22 LEU 89 1HD2 LEU 89 3.372 18.134 12.943 722 HD23 LEU 89 2HD2 LEU 89 2.144 18.956 11.979 723 H GLU 90 H GLU 90 -0.437 16.204 13.798 724 HA GLU 90 HA GLU 90 -2.401 18.117 13.746 725 HB2 GLU 90 2HB GLU 90 -2.659 15.156 13.061 726 HB3 GLU 90 1HB GLU 90 -3.783 16.407 12.536 727 HG2 GLU 90 2HG GLU 90 -0.855 16.210 11.802 728 HG3 GLU 90 1HG GLU 90 -2.219 15.806 10.761 729 H281 4EM 101 2H28 PYA 142 0.415 -11.237 7.283 730 H283 4EM 101 3H28 PYA 142 1.513 -11.512 8.641 731 H303 4EM 101 3H30 PYA 142 -1.986 -11.659 7.502 732 H301 4EM 101 1H30 PYA 142 -2.649 -12.508 8.911 733 H302 4EM 101 2H30 PYA 142 -1.651 -13.363 7.745 734 H312 4EM 101 2H31 PYA 142 -0.977 -9.953 8.958 735 H313 4EM 101 3H31 PYA 142 -1.636 -10.772 10.371 736 H311 4EM 101 1H31 PYA 142 0.094 -10.412 10.294 737 H32 4EM 101 H32 PYA 142 -0.025 -14.072 9.628 738 H33 4EM 101 H33 PYA 142 1.728 -12.769 10.244 739 H36 4EM 101 H36 PYA 142 -2.305 -14.505 9.794 740 H373 4EM 101 3H37 PYA 142 -3.297 -14.668 12.474 741 H372 4EM 101 2H37 PYA 142 -4.226 -13.550 11.475 742 H382 4EM 101 2H38 PYA 142 -5.198 -15.824 11.550 743 H383 4EM 101 3H38 PYA 142 -3.719 -16.461 10.851 744 H41 4EM 101 H41 PYA 142 -4.897 -13.410 9.415 745 H423 4EM 101 3H42 PYA 142 -6.753 -14.498 7.557 746 H422 4EM 101 2H42 PYA 142 -5.150 -14.512 6.828 747 H433 4EM 101 3H43 PYA 142 -6.502 -12.026 7.883 748 H432 4EM 101 2H43 PYA 142 -6.580 -12.548 6.200 749 H44 4EM 101 H44 PYA 142 -4.007 -12.520 6.838 750 H49 4EM 101 H49 PYA 142 -3.537 -8.196 7.291 751 H51 4EM 101 H51 PYA 142 -1.059 -8.116 6.441 752 H50 4EM 101 H50 PYA 142 -0.529 -10.372 5.266 753 H48 4EM 101 H48 PYA 142 -2.665 -11.795 5.395 Start of MODEL 12 1 H1 MET 1 1H MET 1 6.788 14.525 3.230 2 H2 MET 1 2H MET 1 6.303 15.774 2.218 3 H3 MET 1 3H MET 1 6.266 14.187 1.657 4 HA MET 1 HA MET 1 4.570 13.653 3.340 5 HB2 MET 1 2HB MET 1 5.220 15.467 4.918 6 HB3 MET 1 1HB MET 1 4.633 16.673 3.783 7 HG2 MET 1 2HG MET 1 3.045 16.344 5.574 8 HG3 MET 1 1HG MET 1 2.350 15.795 4.051 9 HE1 MET 1 3HE MET 1 5.007 13.902 6.308 10 HE2 MET 1 1HE MET 1 3.944 12.922 7.315 11 HE3 MET 1 2HE MET 1 3.949 14.678 7.488 12 H ASP 2 H ASP 2 3.134 13.040 1.820 13 HA ASP 2 HA ASP 2 1.797 14.994 0.074 14 HB2 ASP 2 2HB ASP 2 3.142 12.467 -1.010 15 HB3 ASP 2 1HB ASP 2 2.147 13.576 -1.941 16 H GLY 3 H GLY 3 0.010 13.753 -1.216 17 HA2 GLY 3 2HA GLY 3 -1.222 11.590 0.431 18 HA3 GLY 3 1HA GLY 3 -2.136 12.938 -0.233 19 H GLU 4 H GLU 4 -2.303 13.090 -2.612 20 HA GLU 4 HA GLU 4 -3.037 10.476 -3.584 21 HB2 GLU 4 2HB GLU 4 -3.336 13.210 -4.876 22 HB3 GLU 4 1HB GLU 4 -3.938 11.710 -5.577 23 HG2 GLU 4 2HG GLU 4 -5.196 11.428 -3.295 24 HG3 GLU 4 1HG GLU 4 -4.898 13.154 -3.106 25 H GLU 5 H GLU 5 -0.178 12.308 -3.969 26 HA GLU 5 HA GLU 5 0.713 11.150 -6.440 27 HB2 GLU 5 2HB GLU 5 1.747 13.205 -5.455 28 HB3 GLU 5 1HB GLU 5 2.380 12.230 -4.134 29 HG2 GLU 5 2HG GLU 5 3.661 10.888 -5.850 30 HG3 GLU 5 1HG GLU 5 3.128 12.055 -7.062 31 H VAL 6 H VAL 6 0.962 10.290 -3.010 32 HA VAL 6 HA VAL 6 2.968 8.320 -3.257 33 HB VAL 6 HB VAL 6 2.674 7.754 -1.016 34 HG11 VAL 6 1HG1 VAL 6 3.210 10.109 -1.183 35 HG12 VAL 6 2HG1 VAL 6 2.213 9.812 0.239 36 HG13 VAL 6 3HG1 VAL 6 1.493 10.532 -1.203 37 HG21 VAL 6 3HG2 VAL 6 0.596 7.964 0.325 38 HG22 VAL 6 1HG2 VAL 6 0.385 6.877 -1.046 39 HG23 VAL 6 2HG2 VAL 6 -0.268 8.510 -1.113 40 H LYS 7 H LYS 7 -0.452 8.231 -3.672 41 HA LYS 7 HA LYS 7 -1.164 5.603 -3.628 42 HB2 LYS 7 2HB LYS 7 -2.066 7.782 -5.551 43 HB3 LYS 7 1HB LYS 7 -2.889 6.243 -5.364 44 HG2 LYS 7 2HG LYS 7 -3.196 6.869 -2.891 45 HG3 LYS 7 1HG LYS 7 -2.661 8.489 -3.350 46 HD2 LYS 7 2HD LYS 7 -5.156 7.011 -4.249 47 HD3 LYS 7 1HD LYS 7 -5.045 8.559 -3.417 48 HE2 LYS 7 2HE LYS 7 -4.049 9.559 -5.459 49 HE3 LYS 7 1HE LYS 7 -4.214 8.015 -6.286 50 HZ1 LYS 7 3HZ LYS 7 -5.989 9.507 -6.865 51 HZ2 LYS 7 1HZ LYS 7 -6.456 9.677 -5.251 52 HZ3 LYS 7 2HZ LYS 7 -6.615 8.184 -6.033 53 H GLU 8 H GLU 8 -0.065 7.277 -6.631 54 HA GLU 8 HA GLU 8 -0.033 4.816 -8.125 55 HB2 GLU 8 2HB GLU 8 0.619 6.087 -10.026 56 HB3 GLU 8 1HB GLU 8 -0.580 7.001 -9.137 57 HG2 GLU 8 2HG GLU 8 0.837 8.711 -9.658 58 HG3 GLU 8 1HG GLU 8 1.588 8.215 -8.146 59 H LYS 9 H LYS 9 2.264 6.403 -6.119 60 HA LYS 9 HA LYS 9 4.604 5.025 -7.123 61 HB2 LYS 9 2HB LYS 9 4.206 6.545 -4.515 62 HB3 LYS 9 1HB LYS 9 5.748 5.983 -5.157 63 HG2 LYS 9 2HG LYS 9 5.372 7.465 -7.167 64 HG3 LYS 9 1HG LYS 9 3.949 8.121 -6.353 65 HD2 LYS 9 2HD LYS 9 6.815 8.261 -5.333 66 HD3 LYS 9 1HD LYS 9 5.913 9.581 -6.072 67 HE2 LYS 9 2HE LYS 9 4.372 9.642 -4.211 68 HE3 LYS 9 1HE LYS 9 5.108 8.207 -3.490 69 HZ1 LYS 9 3HZ LYS 9 5.961 10.062 -2.364 70 HZ2 LYS 9 1HZ LYS 9 6.316 10.905 -3.785 71 HZ3 LYS 9 2HZ LYS 9 7.208 9.529 -3.358 72 H ILE 10 H ILE 10 2.106 4.352 -4.743 73 HA ILE 10 HA ILE 10 3.432 2.095 -3.508 74 HB ILE 10 HB ILE 10 0.441 2.681 -3.685 75 HG12 ILE 10 2HG1 ILE 10 1.480 4.510 -2.496 76 HG13 ILE 10 1HG1 ILE 10 0.647 3.512 -1.321 77 HG21 ILE 10 1HG2 ILE 10 1.898 0.754 -1.851 78 HG22 ILE 10 2HG2 ILE 10 0.801 0.333 -3.168 79 HG23 ILE 10 3HG2 ILE 10 0.182 1.163 -1.741 80 HD11 ILE 10 3HD1 ILE 10 2.763 4.266 -0.456 81 HD12 ILE 10 1HD1 ILE 10 3.621 3.577 -1.831 82 HD13 ILE 10 2HD1 ILE 10 2.809 2.518 -0.672 83 H ARG 11 H ARG 11 0.981 2.550 -6.030 84 HA ARG 11 HA ARG 11 0.567 -0.038 -6.953 85 HB2 ARG 11 2HB ARG 11 0.671 2.551 -8.550 86 HB3 ARG 11 1HB ARG 11 0.066 1.030 -9.200 87 HG2 ARG 11 2HG ARG 11 -1.785 1.031 -7.642 88 HG3 ARG 11 1HG ARG 11 -1.127 2.443 -6.803 89 HD2 ARG 11 2HD ARG 11 -2.974 3.099 -8.284 90 HD3 ARG 11 1HD ARG 11 -1.459 3.816 -8.828 91 HE ARG 11 HE ARG 11 -1.557 1.648 -10.353 92 HH11 ARG 11 1HH1 ARG 11 -4.024 4.075 -9.763 93 HH12 ARG 11 2HH1 ARG 11 -4.780 3.847 -11.306 94 HH21 ARG 11 1HH2 ARG 11 -2.568 1.358 -12.356 95 HH22 ARG 11 2HH2 ARG 11 -3.951 2.316 -12.758 96 H ARG 12 H ARG 12 3.074 2.279 -7.995 97 HA ARG 12 HA ARG 12 4.369 0.519 -9.789 98 HB2 ARG 12 2HB ARG 12 4.965 3.213 -8.681 99 HB3 ARG 12 1HB ARG 12 6.393 2.285 -9.116 100 HG2 ARG 12 2HG ARG 12 5.715 3.679 -11.001 101 HG3 ARG 12 1HG ARG 12 5.525 1.975 -11.407 102 HD2 ARG 12 2HD ARG 12 3.066 2.242 -10.784 103 HD3 ARG 12 1HD ARG 12 3.353 3.984 -10.745 104 HE ARG 12 HE ARG 12 3.893 2.371 -13.164 105 HH11 ARG 12 1HH1 ARG 12 2.209 5.079 -11.666 106 HH12 ARG 12 2HH1 ARG 12 1.582 5.671 -13.170 107 HH21 ARG 12 1HH2 ARG 12 2.982 3.101 -15.091 108 HH22 ARG 12 2HH2 ARG 12 2.023 4.544 -15.112 109 H TYR 13 H TYR 13 5.253 1.422 -6.411 110 HA TYR 13 HA TYR 13 7.598 -0.030 -6.188 111 HB2 TYR 13 2HB TYR 13 6.916 1.526 -4.432 112 HB3 TYR 13 1HB TYR 13 5.549 0.502 -3.994 113 HD1 TYR 13 HD1 TYR 13 9.302 0.121 -4.412 114 HD2 TYR 13 HD2 TYR 13 5.859 -0.805 -2.051 115 HE1 TYR 13 HE1 TYR 13 10.723 -1.077 -2.806 116 HE2 TYR 13 HE2 TYR 13 7.286 -1.985 -0.453 117 HH TYR 13 HH TYR 13 9.653 -3.208 -0.641 118 H ILE 14 H ILE 14 4.310 -1.240 -5.574 119 HA ILE 14 HA ILE 14 4.967 -3.838 -4.709 120 HB ILE 14 HB ILE 14 2.433 -2.914 -6.140 121 HG12 ILE 14 2HG1 ILE 14 2.951 -3.217 -3.141 122 HG13 ILE 14 1HG1 ILE 14 2.930 -1.676 -3.989 123 HG21 ILE 14 1HG2 ILE 14 2.662 -5.356 -6.220 124 HG22 ILE 14 2HG2 ILE 14 1.366 -4.904 -5.118 125 HG23 ILE 14 3HG2 ILE 14 2.929 -5.414 -4.476 126 HD11 ILE 14 3HD1 ILE 14 0.859 -2.017 -2.828 127 HD12 ILE 14 1HD1 ILE 14 0.608 -3.566 -3.632 128 HD13 ILE 14 2HD1 ILE 14 0.557 -2.066 -4.565 129 H MET 15 H MET 15 4.105 -2.657 -7.985 130 HA MET 15 HA MET 15 4.350 -5.241 -9.211 131 HB2 MET 15 2HB MET 15 4.257 -2.471 -10.476 132 HB3 MET 15 1HB MET 15 4.058 -3.994 -11.344 133 HG2 MET 15 2HG MET 15 2.243 -2.862 -9.219 134 HG3 MET 15 1HG MET 15 1.903 -3.002 -10.939 135 HE1 MET 15 3HE MET 15 2.916 -5.966 -11.641 136 HE2 MET 15 1HE MET 15 1.377 -5.272 -12.161 137 HE3 MET 15 2HE MET 15 1.414 -6.853 -11.384 138 H GLU 16 H GLU 16 6.531 -2.417 -9.156 139 HA GLU 16 HA GLU 16 8.430 -3.373 -10.998 140 HB2 GLU 16 2HB GLU 16 8.870 -1.326 -8.801 141 HB3 GLU 16 1HB GLU 16 9.883 -1.552 -10.220 142 HG2 GLU 16 2HG GLU 16 7.103 -0.379 -10.063 143 HG3 GLU 16 1HG GLU 16 8.586 0.382 -10.613 144 H ASP 17 H ASP 17 8.218 -3.517 -7.469 145 HA ASP 17 HA ASP 17 10.818 -4.936 -7.322 146 HB2 ASP 17 2HB ASP 17 10.663 -2.905 -5.955 147 HB3 ASP 17 1HB ASP 17 9.198 -3.499 -5.183 148 H LEU 18 H LEU 18 7.604 -5.074 -5.719 149 HA LEU 18 HA LEU 18 8.125 -7.528 -4.389 150 HB2 LEU 18 2HB LEU 18 5.520 -6.066 -4.892 151 HB3 LEU 18 1HB LEU 18 5.604 -7.548 -3.969 152 HG LEU 18 HG LEU 18 6.986 -6.435 -2.256 153 HD11 LEU 18 1HD1 LEU 18 7.342 -4.020 -2.235 154 HD12 LEU 18 2HD1 LEU 18 6.628 -3.877 -3.841 155 HD13 LEU 18 3HD1 LEU 18 8.149 -4.745 -3.624 156 HD21 LEU 18 3HD2 LEU 18 4.436 -4.941 -2.922 157 HD22 LEU 18 1HD2 LEU 18 5.240 -4.965 -1.349 158 HD23 LEU 18 2HD2 LEU 18 4.560 -6.449 -2.009 159 H ILE 19 H ILE 19 6.382 -6.818 -7.424 160 HA ILE 19 HA ILE 19 6.008 -9.643 -8.038 161 HB ILE 19 HB ILE 19 5.395 -7.098 -9.589 162 HG12 ILE 19 2HG1 ILE 19 3.045 -7.981 -9.591 163 HG13 ILE 19 1HG1 ILE 19 3.581 -9.346 -8.640 164 HG21 ILE 19 1HG2 ILE 19 6.267 -8.664 -11.251 165 HG22 ILE 19 2HG2 ILE 19 4.523 -8.461 -11.467 166 HG23 ILE 19 3HG2 ILE 19 5.151 -9.916 -10.688 167 HD11 ILE 19 3HD1 ILE 19 3.571 -6.470 -7.766 168 HD12 ILE 19 1HD1 ILE 19 4.116 -7.843 -6.793 169 HD13 ILE 19 2HD1 ILE 19 2.427 -7.729 -7.287 170 H GLY 20 H GLY 20 7.864 -6.897 -9.320 171 HA2 GLY 20 2HA GLY 20 10.294 -7.277 -9.732 172 HA3 GLY 20 1HA GLY 20 9.830 -8.763 -10.559 173 HA PRO 21 HA PRO 21 10.163 -5.023 -13.494 174 HB2 PRO 21 2HB PRO 21 12.033 -6.080 -15.228 175 HB3 PRO 21 1HB PRO 21 12.466 -5.208 -13.744 176 HG2 PRO 21 2HG PRO 21 12.290 -8.170 -14.187 177 HG3 PRO 21 1HG PRO 21 13.564 -7.220 -13.387 178 HD2 PRO 21 2HD PRO 21 11.681 -8.521 -11.954 179 HD3 PRO 21 1HD PRO 21 12.335 -6.947 -11.430 180 H SER 22 H SER 22 9.486 -8.396 -13.859 181 HA SER 22 HA SER 22 8.171 -8.131 -16.470 182 HB2 SER 22 2HB SER 22 8.370 -10.506 -14.571 183 HB3 SER 22 1HB SER 22 7.821 -10.554 -16.247 184 HG SER 22 HG SER 22 10.284 -9.408 -15.947 185 H ALA 23 H ALA 23 7.134 -6.412 -14.559 186 HA ALA 23 HA ALA 23 5.036 -7.383 -12.938 187 HB1 ALA 23 3HB ALA 23 6.176 -5.284 -12.489 188 HB2 ALA 23 1HB ALA 23 4.445 -5.001 -12.698 189 HB3 ALA 23 2HB ALA 23 5.570 -4.602 -14.001 190 H LYS 24 H LYS 24 2.973 -7.846 -13.403 191 HA LYS 24 HA LYS 24 1.939 -7.663 -16.093 192 HB2 LYS 24 2HB LYS 24 0.722 -8.825 -13.546 193 HB3 LYS 24 1HB LYS 24 -0.077 -8.843 -15.114 194 HG2 LYS 24 2HG LYS 24 0.854 -10.990 -14.922 195 HG3 LYS 24 1HG LYS 24 1.972 -10.129 -15.979 196 HD2 LYS 24 2HD LYS 24 3.438 -9.722 -13.949 197 HD3 LYS 24 1HD LYS 24 2.354 -10.778 -13.034 198 HE2 LYS 24 2HE LYS 24 4.321 -12.023 -13.801 199 HE3 LYS 24 1HE LYS 24 2.871 -12.639 -14.592 200 HZ1 LYS 24 3HZ LYS 24 4.694 -12.407 -16.147 201 HZ2 LYS 24 1HZ LYS 24 4.848 -10.765 -15.793 202 HZ3 LYS 24 2HZ LYS 24 3.455 -11.341 -16.563 203 H GLU 25 H GLU 25 1.967 -5.405 -16.242 204 HA GLU 25 HA GLU 25 0.761 -3.468 -14.642 205 HB2 GLU 25 2HB GLU 25 0.761 -2.059 -16.739 206 HB3 GLU 25 1HB GLU 25 2.286 -2.856 -16.401 207 HG2 GLU 25 2HG GLU 25 1.960 -4.493 -18.113 208 HG3 GLU 25 1HG GLU 25 0.272 -4.034 -18.332 209 H ASP 26 H ASP 26 -0.648 -5.621 -16.946 210 HA ASP 26 HA ASP 26 -3.031 -4.293 -17.617 211 HB2 ASP 26 2HB ASP 26 -2.501 -7.297 -17.544 212 HB3 ASP 26 1HB ASP 26 -3.762 -6.491 -18.475 213 H GLU 27 H GLU 27 -2.127 -6.403 -14.989 214 HA GLU 27 HA GLU 27 -4.826 -6.691 -13.893 215 HB2 GLU 27 2HB GLU 27 -2.146 -7.797 -12.929 216 HB3 GLU 27 1HB GLU 27 -3.722 -8.219 -12.264 217 HG2 GLU 27 2HG GLU 27 -4.387 -9.146 -14.457 218 HG3 GLU 27 1HG GLU 27 -2.786 -8.757 -15.089 219 H LEU 28 H LEU 28 -2.201 -4.589 -13.539 220 HA LEU 28 HA LEU 28 -2.665 -3.822 -10.800 221 HB2 LEU 28 2HB LEU 28 -0.415 -3.814 -11.863 222 HB3 LEU 28 1HB LEU 28 -0.926 -2.555 -12.961 223 HG LEU 28 HG LEU 28 0.548 -1.935 -10.908 224 HD11 LEU 28 1HD1 LEU 28 -0.411 0.288 -10.679 225 HD12 LEU 28 2HD1 LEU 28 -1.899 -0.265 -11.449 226 HD13 LEU 28 3HD1 LEU 28 -0.391 -0.236 -12.362 227 HD21 LEU 28 3HD2 LEU 28 -0.743 -3.094 -9.154 228 HD22 LEU 28 1HD2 LEU 28 -2.119 -2.018 -9.444 229 HD23 LEU 28 2HD2 LEU 28 -0.599 -1.373 -8.822 230 H ASP 29 H ASP 29 -4.094 -2.391 -10.141 231 HA ASP 29 HA ASP 29 -4.599 0.095 -11.497 232 HB2 ASP 29 2HB ASP 29 -6.305 -1.691 -12.480 233 HB3 ASP 29 1HB ASP 29 -7.078 -1.586 -10.903 234 H ASP 30 H ASP 30 -6.096 1.462 -10.100 235 HA ASP 30 HA ASP 30 -5.277 1.192 -7.334 236 HB2 ASP 30 2HB ASP 30 -6.249 3.453 -7.058 237 HB3 ASP 30 1HB ASP 30 -5.094 3.377 -8.379 238 H GLN 31 H GLN 31 -8.142 0.835 -9.233 239 HA GLN 31 HA GLN 31 -9.968 0.486 -6.978 240 HB2 GLN 31 2HB GLN 31 -10.471 0.159 -9.970 241 HB3 GLN 31 1HB GLN 31 -11.689 0.377 -8.714 242 HG2 GLN 31 2HG GLN 31 -11.087 2.669 -8.386 243 HG3 GLN 31 1HG GLN 31 -9.596 2.488 -9.313 244 HE21 GLN 31 1HE2 GLN 31 -9.753 2.201 -11.618 245 HE22 GLN 31 2HE2 GLN 31 -11.112 2.855 -12.473 246 H THR 32 H THR 32 -7.682 -1.452 -8.353 247 HA THR 32 HA THR 32 -9.178 -3.954 -8.445 248 HB THR 32 HB THR 32 -6.233 -3.296 -8.812 249 HG1 THR 32 HG1 THR 32 -8.102 -2.964 -10.415 250 HG21 THR 32 3HG2 THR 32 -7.535 -6.036 -9.049 251 HG22 THR 32 1HG2 THR 32 -6.353 -5.561 -7.831 252 HG23 THR 32 2HG2 THR 32 -5.884 -5.637 -9.532 253 HA PRO 33 HA PRO 33 -8.447 -4.584 -3.985 254 HB2 PRO 33 2HB PRO 33 -9.515 -7.136 -3.830 255 HB3 PRO 33 1HB PRO 33 -10.487 -5.653 -3.852 256 HG2 PRO 33 2HG PRO 33 -9.926 -7.558 -6.069 257 HG3 PRO 33 1HG PRO 33 -11.418 -6.681 -5.678 258 HD2 PRO 33 2HD PRO 33 -9.700 -5.910 -7.663 259 HD3 PRO 33 1HD PRO 33 -10.756 -4.777 -6.796 260 H LEU 34 H LEU 34 -6.352 -4.799 -3.551 261 HA LEU 34 HA LEU 34 -4.489 -6.315 -5.012 262 HB2 LEU 34 2HB LEU 34 -4.200 -4.960 -2.301 263 HB3 LEU 34 1HB LEU 34 -2.873 -5.727 -3.141 264 HG LEU 34 HG LEU 34 -2.676 -3.357 -3.413 265 HD11 LEU 34 1HD1 LEU 34 -2.623 -3.055 -5.841 266 HD12 LEU 34 2HD1 LEU 34 -3.627 -4.490 -6.058 267 HD13 LEU 34 3HD1 LEU 34 -2.001 -4.638 -5.387 268 HD21 LEU 34 3HD2 LEU 34 -4.320 -1.916 -4.481 269 HD22 LEU 34 1HD2 LEU 34 -4.928 -2.630 -2.989 270 HD23 LEU 34 2HD2 LEU 34 -5.456 -3.265 -4.548 271 H LEU 35 H LEU 35 -5.708 -6.808 -1.655 272 HA LEU 35 HA LEU 35 -4.342 -9.196 -1.087 273 HB2 LEU 35 2HB LEU 35 -6.901 -8.018 0.002 274 HB3 LEU 35 1HB LEU 35 -6.468 -9.651 0.473 275 HG LEU 35 HG LEU 35 -5.784 -8.065 2.194 276 HD11 LEU 35 1HD1 LEU 35 -3.412 -8.666 2.455 277 HD12 LEU 35 2HD1 LEU 35 -3.349 -9.210 0.777 278 HD13 LEU 35 3HD1 LEU 35 -4.375 -10.049 1.943 279 HD21 LEU 35 3HD2 LEU 35 -4.061 -6.723 0.095 280 HD22 LEU 35 1HD2 LEU 35 -4.064 -6.363 1.824 281 HD23 LEU 35 2HD2 LEU 35 -5.505 -6.053 0.861 282 H GLU 36 H GLU 36 -7.543 -8.736 -2.530 283 HA GLU 36 HA GLU 36 -8.379 -11.427 -2.590 284 HB2 GLU 36 2HB GLU 36 -9.936 -9.482 -2.798 285 HB3 GLU 36 1HB GLU 36 -9.280 -9.132 -4.394 286 HG2 GLU 36 2HG GLU 36 -10.096 -11.374 -5.154 287 HG3 GLU 36 1HG GLU 36 -10.846 -11.590 -3.573 288 H TRP 37 H TRP 37 -6.533 -9.495 -4.908 289 HA TRP 37 HA TRP 37 -6.567 -11.595 -6.963 290 HB2 TRP 37 2HB TRP 37 -5.324 -8.824 -6.810 291 HB3 TRP 37 1HB TRP 37 -4.923 -9.925 -8.120 292 HD1 TRP 37 HD1 TRP 37 -8.402 -8.980 -6.597 293 HE1 TRP 37 HE1 TRP 37 -9.923 -8.220 -8.507 294 HE3 TRP 37 HE3 TRP 37 -5.092 -9.375 -10.495 295 HZ2 TRP 37 HZ2 TRP 37 -9.774 -7.839 -11.306 296 HZ3 TRP 37 HZ3 TRP 37 -5.869 -8.793 -12.758 297 HH2 TRP 37 HH2 TRP 37 -8.160 -8.043 -13.154 298 H GLY 38 H GLY 38 -5.004 -11.367 -4.113 299 HA2 GLY 38 2HA GLY 38 -3.250 -12.491 -3.178 300 HA3 GLY 38 1HA GLY 38 -3.035 -13.334 -4.707 301 H ILE 39 H ILE 39 -2.955 -9.883 -4.601 302 HA ILE 39 HA ILE 39 -0.287 -9.747 -5.677 303 HB ILE 39 HB ILE 39 -2.278 -7.568 -4.890 304 HG12 ILE 39 2HG1 ILE 39 -1.542 -8.628 -7.659 305 HG13 ILE 39 1HG1 ILE 39 -3.029 -8.997 -6.798 306 HG21 ILE 39 1HG2 ILE 39 -0.899 -5.966 -6.130 307 HG22 ILE 39 2HG2 ILE 39 0.308 -7.216 -6.435 308 HG23 ILE 39 3HG2 ILE 39 0.001 -6.667 -4.785 309 HD11 ILE 39 3HD1 ILE 39 -3.666 -6.617 -6.931 310 HD12 ILE 39 1HD1 ILE 39 -3.423 -7.355 -8.514 311 HD13 ILE 39 2HD1 ILE 39 -2.188 -6.292 -7.843 312 H LEU 40 H LEU 40 -1.874 -9.228 -2.584 313 HA LEU 40 HA LEU 40 0.739 -8.682 -1.281 314 HB2 LEU 40 2HB LEU 40 -2.022 -7.804 -0.337 315 HB3 LEU 40 1HB LEU 40 -0.492 -7.435 0.442 316 HG LEU 40 HG LEU 40 -1.413 -6.398 -2.264 317 HD11 LEU 40 1HD1 LEU 40 -2.589 -5.319 -0.440 318 HD12 LEU 40 2HD1 LEU 40 -1.440 -4.195 -1.158 319 HD13 LEU 40 3HD1 LEU 40 -1.066 -4.963 0.388 320 HD21 LEU 40 3HD2 LEU 40 0.617 -5.031 -2.255 321 HD22 LEU 40 1HD2 LEU 40 0.994 -6.751 -2.292 322 HD23 LEU 40 2HD2 LEU 40 1.170 -5.840 -0.785 323 H ASN 41 H ASN 41 1.359 -10.007 0.279 324 HA ASN 41 HA ASN 41 -0.306 -11.258 2.183 325 HB2 ASN 41 2HB ASN 41 -0.660 -12.812 0.164 326 HB3 ASN 41 1HB ASN 41 1.032 -13.250 0.290 327 HD21 ASN 41 1HD2 ASN 41 -2.101 -13.378 1.883 328 HD22 ASN 41 2HD2 ASN 41 -1.725 -14.697 2.938 329 H SER 42 H SER 42 1.064 -12.680 3.674 330 HA SER 42 HA SER 42 2.731 -11.447 5.203 331 HB2 SER 42 3HB SER 42 2.132 -13.816 5.516 332 HB3 SER 42 2HB SER 42 3.337 -14.284 4.318 333 H MET 43 H MET 43 4.169 -13.035 2.396 334 HA MET 43 HA MET 43 6.859 -12.654 3.077 335 HB2 MET 43 2HB MET 43 5.794 -12.954 0.246 336 HB3 MET 43 1HB MET 43 7.386 -13.393 0.847 337 HG2 MET 43 2HG MET 43 6.220 -15.419 0.594 338 HG3 MET 43 1HG MET 43 6.235 -15.090 2.329 339 HE1 MET 43 3HE MET 43 3.821 -13.147 -0.167 340 HE2 MET 43 1HE MET 43 2.459 -14.266 -0.244 341 HE3 MET 43 2HE MET 43 4.008 -14.715 -0.961 342 H ASN 44 H ASN 44 4.727 -10.841 0.871 343 HA ASN 44 HA ASN 44 6.845 -8.823 0.478 344 HB2 ASN 44 2HB ASN 44 5.889 -8.328 -1.664 345 HB3 ASN 44 1HB ASN 44 6.131 -10.060 -1.542 346 HD21 ASN 44 1HD2 ASN 44 4.393 -8.485 -3.301 347 HD22 ASN 44 2HD2 ASN 44 2.811 -9.108 -3.072 348 H ILE 45 H ILE 45 4.034 -9.198 2.212 349 HA ILE 45 HA ILE 45 2.781 -6.639 1.760 350 HB ILE 45 HB ILE 45 1.718 -8.834 2.680 351 HG12 ILE 45 2HG1 ILE 45 0.929 -6.289 4.168 352 HG13 ILE 45 1HG1 ILE 45 0.534 -6.574 2.475 353 HG21 ILE 45 1HG2 ILE 45 1.597 -9.084 5.119 354 HG22 ILE 45 2HG2 ILE 45 2.704 -7.726 5.330 355 HG23 ILE 45 3HG2 ILE 45 3.267 -9.209 4.557 356 HD11 ILE 45 3HD1 ILE 45 -0.754 -8.570 3.116 357 HD12 ILE 45 1HD1 ILE 45 -1.355 -7.106 3.903 358 HD13 ILE 45 2HD1 ILE 45 -0.376 -8.257 4.815 359 H VAL 46 H VAL 46 5.421 -7.737 3.672 360 HA VAL 46 HA VAL 46 5.458 -5.691 5.689 361 HB VAL 46 HB VAL 46 7.670 -7.596 4.809 362 HG11 VAL 46 1HG1 VAL 46 7.336 -6.094 7.428 363 HG12 VAL 46 2HG1 VAL 46 8.539 -5.746 6.183 364 HG13 VAL 46 3HG1 VAL 46 8.602 -7.270 7.069 365 HG21 VAL 46 3HG2 VAL 46 6.911 -9.068 6.641 366 HG22 VAL 46 1HG2 VAL 46 5.630 -8.825 5.451 367 HG23 VAL 46 2HG2 VAL 46 5.581 -7.962 6.989 368 H LYS 47 H LYS 47 6.535 -5.939 2.434 369 HA LYS 47 HA LYS 47 8.619 -4.005 2.381 370 HB2 LYS 47 2HB LYS 47 6.795 -5.098 0.213 371 HB3 LYS 47 1HB LYS 47 7.976 -3.841 -0.130 372 HG2 LYS 47 2HG LYS 47 8.836 -6.014 -0.779 373 HG3 LYS 47 1HG LYS 47 9.802 -5.333 0.533 374 HD2 LYS 47 2HD LYS 47 8.744 -6.812 2.145 375 HD3 LYS 47 1HD LYS 47 7.614 -7.394 0.925 376 HE2 LYS 47 2HE LYS 47 9.365 -9.045 1.286 377 HE3 LYS 47 1HE LYS 47 9.503 -8.377 -0.339 378 HZ1 LYS 47 3HZ LYS 47 11.636 -8.583 0.779 379 HZ2 LYS 47 1HZ LYS 47 11.129 -7.530 1.992 380 HZ3 LYS 47 2HZ LYS 47 11.291 -6.978 0.405 381 H LEU 48 H LEU 48 5.111 -3.801 2.143 382 HA LEU 48 HA LEU 48 4.929 -1.040 1.457 383 HB2 LEU 48 2HB LEU 48 2.933 -2.878 2.836 384 HB3 LEU 48 1HB LEU 48 2.569 -1.216 2.420 385 HG LEU 48 HG LEU 48 1.561 -2.560 0.737 386 HD11 LEU 48 1HD1 LEU 48 2.645 -0.537 -0.156 387 HD12 LEU 48 2HD1 LEU 48 2.639 -1.832 -1.346 388 HD13 LEU 48 3HD1 LEU 48 4.125 -1.450 -0.476 389 HD21 LEU 48 3HD2 LEU 48 2.723 -4.240 -0.619 390 HD22 LEU 48 1HD2 LEU 48 2.759 -4.666 1.091 391 HD23 LEU 48 2HD2 LEU 48 4.200 -4.000 0.317 392 H MET 49 H MET 49 5.024 -2.784 4.538 393 HA MET 49 HA MET 49 4.294 -0.725 6.300 394 HB2 MET 49 2HB MET 49 6.305 -2.939 6.925 395 HB3 MET 49 1HB MET 49 5.334 -2.048 8.086 396 HG2 MET 49 2HG MET 49 3.313 -3.154 7.313 397 HG3 MET 49 1HG MET 49 4.217 -3.971 6.029 398 HE1 MET 49 3HE MET 49 2.544 -5.878 7.676 399 HE2 MET 49 1HE MET 49 3.635 -7.067 8.389 400 HE3 MET 49 2HE MET 49 3.824 -6.595 6.700 401 H VAL 50 H VAL 50 7.515 -1.762 5.204 402 HA VAL 50 HA VAL 50 8.995 0.273 6.597 403 HB VAL 50 HB VAL 50 10.009 -1.921 6.101 404 HG11 VAL 50 1HG1 VAL 50 9.914 -1.128 3.167 405 HG12 VAL 50 2HG1 VAL 50 8.985 -2.423 3.935 406 HG13 VAL 50 3HG1 VAL 50 10.742 -2.546 3.822 407 HG21 VAL 50 3HG2 VAL 50 12.216 -1.198 5.249 408 HG22 VAL 50 1HG2 VAL 50 11.565 -0.051 6.422 409 HG23 VAL 50 2HG2 VAL 50 11.503 0.320 4.699 410 H TYR 51 H TYR 51 7.518 0.061 3.421 411 HA TYR 51 HA TYR 51 9.094 2.031 2.068 412 HB2 TYR 51 2HB TYR 51 7.718 0.317 0.873 413 HB3 TYR 51 1HB TYR 51 6.257 1.139 1.408 414 HD1 TYR 51 HD1 TYR 51 9.367 1.642 -0.633 415 HD2 TYR 51 HD2 TYR 51 5.365 2.940 0.098 416 HE1 TYR 51 HE1 TYR 51 9.458 3.041 -2.646 417 HE2 TYR 51 HE2 TYR 51 5.460 4.342 -1.918 418 HH TYR 51 HH TYR 51 7.107 5.433 -3.339 419 H ILE 52 H ILE 52 5.805 2.162 3.427 420 HA ILE 52 HA ILE 52 5.437 4.949 2.987 421 HB ILE 52 HB ILE 52 3.914 2.991 4.773 422 HG12 ILE 52 2HG1 ILE 52 2.030 3.488 3.063 423 HG13 ILE 52 1HG1 ILE 52 3.258 4.265 2.079 424 HG21 ILE 52 1HG2 ILE 52 3.206 5.872 4.219 425 HG22 ILE 52 2HG2 ILE 52 3.734 5.207 5.762 426 HG23 ILE 52 3HG2 ILE 52 2.192 4.705 5.076 427 HD11 ILE 52 3HD1 ILE 52 4.395 2.158 1.799 428 HD12 ILE 52 1HD1 ILE 52 2.697 2.013 1.340 429 HD13 ILE 52 2HD1 ILE 52 3.252 1.368 2.891 430 H ARG 53 H ARG 53 6.747 3.033 5.618 431 HA ARG 53 HA ARG 53 6.985 4.974 7.648 432 HB2 ARG 53 2HB ARG 53 7.268 2.536 7.990 433 HB3 ARG 53 1HB ARG 53 8.755 2.581 7.055 434 HG2 ARG 53 2HG ARG 53 9.832 3.967 8.778 435 HG3 ARG 53 1HG ARG 53 8.328 4.013 9.705 436 HD2 ARG 53 2HD ARG 53 8.444 1.503 9.899 437 HD3 ARG 53 1HD ARG 53 10.020 1.564 9.102 438 HE ARG 53 HE ARG 53 10.726 3.016 11.020 439 HH11 ARG 53 1HH1 ARG 53 8.160 0.662 11.441 440 HH12 ARG 53 2HH1 ARG 53 8.441 0.487 13.144 441 HH21 ARG 53 1HH2 ARG 53 11.069 2.813 13.247 442 HH22 ARG 53 2HH2 ARG 53 10.094 1.713 14.169 443 H ASP 54 H ASP 54 8.955 4.324 4.822 444 HA ASP 54 HA ASP 54 11.172 6.021 5.685 445 HB2 ASP 54 2HB ASP 54 11.693 3.932 4.484 446 HB3 ASP 54 1HB ASP 54 10.694 4.431 3.120 447 H GLU 55 H GLU 55 8.867 5.944 2.969 448 HA GLU 55 HA GLU 55 9.763 8.407 1.827 449 HB2 GLU 55 2HB GLU 55 8.965 6.510 0.445 450 HB3 GLU 55 1HB GLU 55 7.353 6.669 1.137 451 HG2 GLU 55 2HG GLU 55 7.117 8.896 0.107 452 HG3 GLU 55 1HG GLU 55 8.752 8.786 -0.532 453 H MET 56 H MET 56 6.593 7.465 3.285 454 HA MET 56 HA MET 56 5.786 10.264 3.524 455 HB2 MET 56 2HB MET 56 4.423 7.619 4.074 456 HB3 MET 56 1HB MET 56 3.745 9.087 4.768 457 HG2 MET 56 2HG MET 56 2.667 8.462 2.644 458 HG3 MET 56 1HG MET 56 3.432 10.046 2.578 459 HE1 MET 56 3HE MET 56 4.854 6.331 2.120 460 HE2 MET 56 1HE MET 56 4.887 6.279 0.359 461 HE3 MET 56 2HE MET 56 3.345 6.416 1.207 462 H GLY 57 H GLY 57 7.372 7.929 5.501 463 HA2 GLY 57 2HA GLY 57 8.555 8.350 7.449 464 HA3 GLY 57 1HA GLY 57 7.754 9.904 7.608 465 H VAL 58 H VAL 58 5.673 7.165 7.158 466 HA VAL 58 HA VAL 58 5.133 7.019 10.080 467 HB VAL 58 HB VAL 58 3.464 8.551 9.183 468 HG11 VAL 58 1HG1 VAL 58 1.834 7.927 7.424 469 HG12 VAL 58 2HG1 VAL 58 2.699 6.410 7.163 470 HG13 VAL 58 3HG1 VAL 58 3.486 7.947 6.798 471 HG21 VAL 58 3HG2 VAL 58 2.183 5.845 9.672 472 HG22 VAL 58 1HG2 VAL 58 1.397 7.414 9.847 473 HG23 VAL 58 2HG2 VAL 58 2.721 6.964 10.925 474 H SER 59 H SER 59 5.352 4.970 10.730 475 HA SER 59 HA SER 59 5.458 2.721 8.971 476 HB2 SER 59 2HB SER 59 6.764 2.926 11.129 477 HB3 SER 59 1HB SER 59 5.253 2.776 12.025 478 HG SER 59 HG SER 59 5.301 0.694 11.722 479 H ILE 60 H ILE 60 3.824 1.262 8.459 480 HA ILE 60 HA ILE 60 1.203 1.361 9.727 481 HB ILE 60 HB ILE 60 2.403 -0.750 7.858 482 HG12 ILE 60 2HG1 ILE 60 1.902 1.572 6.847 483 HG13 ILE 60 1HG1 ILE 60 1.141 0.195 6.056 484 HG21 ILE 60 1HG2 ILE 60 0.074 -1.627 7.650 485 HG22 ILE 60 2HG2 ILE 60 -0.442 -0.525 8.931 486 HG23 ILE 60 3HG2 ILE 60 0.729 -1.797 9.276 487 HD11 ILE 60 3HD1 ILE 60 -0.983 0.701 7.132 488 HD12 ILE 60 1HD1 ILE 60 -0.369 2.118 6.278 489 HD13 ILE 60 2HD1 ILE 60 -0.233 2.021 8.032 490 HA PRO 61 HA PRO 61 3.082 -1.107 13.085 491 HB2 PRO 61 2HB PRO 61 1.018 -0.880 14.879 492 HB3 PRO 61 1HB PRO 61 2.175 0.435 14.587 493 HG2 PRO 61 2HG PRO 61 -0.588 0.089 13.507 494 HG3 PRO 61 1HG PRO 61 0.199 1.554 14.130 495 HD2 PRO 61 2HD PRO 61 -0.059 0.989 11.461 496 HD3 PRO 61 1HD PRO 61 1.264 1.978 12.113 497 H SER 62 H SER 62 2.473 -3.077 14.250 498 HA SER 62 HA SER 62 1.481 -5.086 12.534 499 HB2 SER 62 2HB SER 62 3.171 -5.555 14.246 500 HB3 SER 62 1HB SER 62 2.037 -5.160 15.535 501 HG SER 62 HG SER 62 0.949 -7.037 13.991 502 H THR 63 H THR 63 -0.043 -3.249 15.107 503 HA THR 63 HA THR 63 -2.457 -4.725 15.353 504 HB THR 63 HB THR 63 -1.666 -3.176 17.099 505 HG1 THR 63 HG1 THR 63 -3.933 -3.655 16.894 506 HG21 THR 63 3HG2 THR 63 -0.760 -1.379 15.661 507 HG22 THR 63 1HG2 THR 63 -1.884 -0.748 16.868 508 HG23 THR 63 2HG2 THR 63 -2.403 -0.931 15.192 509 H HIS 64 H HIS 64 -1.369 -2.706 12.818 510 HA HIS 64 HA HIS 64 -4.112 -2.376 11.719 511 HB2 HIS 64 2HB HIS 64 -1.653 -0.645 11.282 512 HB3 HIS 64 1HB HIS 64 -3.138 -0.507 10.342 513 HD1 HIS 64 HD1 HIS 64 -4.649 -1.118 13.387 514 HD2 HIS 64 HD2 HIS 64 -2.373 2.084 12.027 515 HE1 HIS 64 HE1 HIS 64 -5.218 0.803 14.896 516 HE2 HIS 64 HE2 HIS 64 -3.710 2.671 14.161 517 H ILE 65 H ILE 65 -1.931 -4.621 11.513 518 HA ILE 65 HA ILE 65 -1.826 -4.830 8.596 519 HB ILE 65 HB ILE 65 -1.038 -6.966 10.628 520 HG12 ILE 65 2HG1 ILE 65 0.400 -5.035 10.976 521 HG13 ILE 65 1HG1 ILE 65 1.329 -6.251 10.103 522 HG21 ILE 65 1HG2 ILE 65 -0.523 -6.725 7.631 523 HG22 ILE 65 2HG2 ILE 65 -1.518 -7.934 8.447 524 HG23 ILE 65 3HG2 ILE 65 0.227 -7.928 8.683 525 HD11 ILE 65 3HD1 ILE 65 0.986 -5.034 8.021 526 HD12 ILE 65 1HD1 ILE 65 1.721 -4.005 9.251 527 HD13 ILE 65 2HD1 ILE 65 0.006 -3.833 8.871 528 H THR 66 H THR 66 -3.893 -4.918 7.938 529 HA THR 66 HA THR 66 -5.143 -7.500 8.186 530 HB THR 66 HB THR 66 -6.200 -6.374 10.079 531 HG1 THR 66 HG1 THR 66 -7.613 -7.714 9.048 532 HG21 THR 66 3HG2 THR 66 -5.885 -4.035 9.394 533 HG22 THR 66 1HG2 THR 66 -7.565 -4.355 9.835 534 HG23 THR 66 2HG2 THR 66 -7.109 -4.231 8.133 535 H GLY 67 H GLY 67 -7.059 -7.631 6.709 536 HA2 GLY 67 2HA GLY 67 -6.307 -7.132 4.079 537 HA3 GLY 67 1HA GLY 67 -7.912 -7.594 4.611 538 H LYS 68 H LYS 68 -8.735 -5.392 6.061 539 HA LYS 68 HA LYS 68 -9.915 -3.931 3.978 540 HB2 LYS 68 2HB LYS 68 -10.905 -2.497 5.681 541 HB3 LYS 68 1HB LYS 68 -10.974 -4.184 6.162 542 HG2 LYS 68 2HG LYS 68 -9.543 -3.900 7.957 543 HG3 LYS 68 1HG LYS 68 -8.635 -2.603 7.177 544 HD2 LYS 68 2HD LYS 68 -9.888 -1.738 9.109 545 HD3 LYS 68 1HD LYS 68 -10.489 -1.020 7.615 546 HE2 LYS 68 2HE LYS 68 -12.308 -1.611 9.162 547 HE3 LYS 68 1HE LYS 68 -12.424 -2.524 7.657 548 HZ1 LYS 68 3HZ LYS 68 -11.279 -3.551 10.199 549 HZ2 LYS 68 1HZ LYS 68 -11.476 -4.427 8.764 550 HZ3 LYS 68 2HZ LYS 68 -12.827 -3.883 9.614 551 H TYR 69 H TYR 69 -6.993 -3.128 5.778 552 HA TYR 69 HA TYR 69 -7.005 -0.325 5.025 553 HB2 TYR 69 2HB TYR 69 -4.961 -2.041 6.470 554 HB3 TYR 69 1HB TYR 69 -4.674 -0.346 6.079 555 HD1 TYR 69 HD2 TYR 69 -7.563 0.667 6.678 556 HD2 TYR 69 HD1 TYR 69 -4.897 -1.844 8.877 557 HE1 TYR 69 HE2 TYR 69 -8.629 1.368 8.765 558 HE2 TYR 69 HE1 TYR 69 -5.967 -1.132 10.962 559 HH TYR 69 HH TYR 69 -8.896 0.637 11.014 560 H PHE 70 H PHE 70 -5.457 -3.266 3.963 561 HA PHE 70 HA PHE 70 -3.941 -1.848 1.845 562 HB2 PHE 70 2HB PHE 70 -3.725 -4.660 2.977 563 HB3 PHE 70 1HB PHE 70 -2.820 -4.115 1.573 564 HD1 PHE 70 HD1 PHE 70 -1.042 -2.388 1.801 565 HD2 PHE 70 HD2 PHE 70 -3.052 -3.951 5.237 566 HE1 PHE 70 HE1 PHE 70 0.725 -1.492 3.246 567 HE2 PHE 70 HE2 PHE 70 -1.271 -3.058 6.674 568 HZ PHE 70 HZ PHE 70 0.617 -1.821 5.673 569 H LYS 71 H LYS 71 -6.918 -2.899 2.130 570 HA LYS 71 HA LYS 71 -7.476 -4.995 0.444 571 HB2 LYS 71 2HB LYS 71 -8.929 -3.331 2.107 572 HB3 LYS 71 1HB LYS 71 -9.566 -2.849 0.550 573 HG2 LYS 71 2HG LYS 71 -9.457 -5.762 1.359 574 HG3 LYS 71 1HG LYS 71 -10.768 -4.729 1.914 575 HD2 LYS 71 2HD LYS 71 -10.084 -5.094 -1.026 576 HD3 LYS 71 1HD LYS 71 -11.239 -6.114 -0.170 577 HE2 LYS 71 2HE LYS 71 -12.668 -4.218 0.293 578 HE3 LYS 71 1HE LYS 71 -11.478 -3.098 -0.378 579 HZ1 LYS 71 3HZ LYS 71 -12.827 -5.229 -1.948 580 HZ2 LYS 71 1HZ LYS 71 -11.821 -4.006 -2.539 581 HZ3 LYS 71 2HZ LYS 71 -13.330 -3.617 -1.895 582 H ASP 72 H ASP 72 -7.331 -1.595 -0.244 583 HA ASP 72 HA ASP 72 -6.843 -2.033 -3.066 584 HB2 ASP 72 2HB ASP 72 -9.154 -0.325 -2.013 585 HB3 ASP 72 1HB ASP 72 -8.431 -0.036 -3.588 586 H LEU 73 H LEU 73 -6.315 0.197 -4.017 587 HA LEU 73 HA LEU 73 -4.241 1.361 -2.456 588 HB2 LEU 73 2HB LEU 73 -4.188 1.226 -4.928 589 HB3 LEU 73 1HB LEU 73 -5.529 2.362 -5.006 590 HG LEU 73 HG LEU 73 -4.024 4.023 -3.748 591 HD11 LEU 73 1HD1 LEU 73 -2.394 2.427 -2.873 592 HD12 LEU 73 2HD1 LEU 73 -1.600 3.632 -3.881 593 HD13 LEU 73 3HD1 LEU 73 -1.886 2.011 -4.514 594 HD21 LEU 73 3HD2 LEU 73 -4.500 4.385 -6.052 595 HD22 LEU 73 1HD2 LEU 73 -3.373 3.125 -6.554 596 HD23 LEU 73 2HD2 LEU 73 -2.769 4.612 -5.838 597 H ASN 74 H ASN 74 -7.499 2.416 -3.377 598 HA ASN 74 HA ASN 74 -7.521 4.940 -2.117 599 HB2 ASN 74 2HB ASN 74 -10.060 4.608 -2.045 600 HB3 ASN 74 1HB ASN 74 -9.312 4.503 -3.628 601 HD21 ASN 74 1HD2 ASN 74 -9.210 2.510 -4.684 602 HD22 ASN 74 2HD2 ASN 74 -10.188 1.173 -4.198 603 H ALA 75 H ALA 75 -8.245 1.691 -0.887 604 HA ALA 75 HA ALA 75 -9.004 2.356 1.734 605 HB1 ALA 75 3HB ALA 75 -8.406 0.037 2.294 606 HB2 ALA 75 1HB ALA 75 -7.526 -0.112 0.775 607 HB3 ALA 75 2HB ALA 75 -9.278 0.111 0.758 608 H ILE 76 H ILE 76 -5.775 1.767 0.357 609 HA ILE 76 HA ILE 76 -4.247 2.193 2.722 610 HB ILE 76 HB ILE 76 -3.438 2.361 -0.212 611 HG12 ILE 76 2HG1 ILE 76 -2.937 0.209 1.879 612 HG13 ILE 76 1HG1 ILE 76 -4.189 0.114 0.642 613 HG21 ILE 76 1HG2 ILE 76 -1.854 3.725 1.117 614 HG22 ILE 76 2HG2 ILE 76 -1.069 2.259 0.534 615 HG23 ILE 76 3HG2 ILE 76 -1.591 2.370 2.216 616 HD11 ILE 76 3HD1 ILE 76 -1.207 0.114 0.223 617 HD12 ILE 76 1HD1 ILE 76 -2.412 0.110 -1.075 618 HD13 ILE 76 2HD1 ILE 76 -2.325 -1.243 0.054 619 H SER 77 H SER 77 -5.420 4.430 0.207 620 HA SER 77 HA SER 77 -3.762 6.606 1.079 621 HB2 SER 77 2HB SER 77 -5.048 7.981 -0.494 622 HB3 SER 77 1HB SER 77 -4.569 6.468 -1.245 623 HG SER 77 HG SER 77 -7.036 6.401 -0.044 624 H ARG 78 H ARG 78 -6.856 5.355 2.129 625 HA ARG 78 HA ARG 78 -7.472 7.752 3.682 626 HB2 ARG 78 2HB ARG 78 -8.841 5.065 3.943 627 HB3 ARG 78 1HB ARG 78 -9.443 6.632 4.454 628 HG2 ARG 78 2HG ARG 78 -9.489 5.347 1.763 629 HG3 ARG 78 1HG ARG 78 -10.720 6.277 2.588 630 HD2 ARG 78 2HD ARG 78 -8.314 7.368 1.106 631 HD3 ARG 78 1HD ARG 78 -9.997 7.436 0.588 632 HE ARG 78 HE ARG 78 -9.452 8.781 3.103 633 HH11 ARG 78 1HH1 ARG 78 -9.627 9.133 -0.389 634 HH12 ARG 78 2HH1 ARG 78 -9.821 10.852 -0.327 635 HH21 ARG 78 1HH2 ARG 78 -9.553 11.056 3.147 636 HH22 ARG 78 2HH2 ARG 78 -9.778 11.937 1.669 637 H THR 79 H THR 79 -5.947 4.601 4.162 638 HA THR 79 HA THR 79 -5.883 4.691 7.038 639 HB THR 79 HB THR 79 -4.039 3.077 5.218 640 HG1 THR 79 HG1 THR 79 -5.740 1.941 4.754 641 HG21 THR 79 3HG2 THR 79 -3.304 3.107 7.601 642 HG22 THR 79 1HG2 THR 79 -3.912 1.513 7.145 643 HG23 THR 79 2HG2 THR 79 -4.921 2.598 8.097 644 H VAL 80 H VAL 80 -3.677 5.647 4.459 645 HA VAL 80 HA VAL 80 -1.373 5.923 6.144 646 HB VAL 80 HB VAL 80 -1.316 5.309 3.673 647 HG11 VAL 80 1HG1 VAL 80 -1.831 8.268 3.199 648 HG12 VAL 80 2HG1 VAL 80 -2.939 6.946 2.824 649 HG13 VAL 80 3HG1 VAL 80 -1.398 7.073 1.973 650 HG21 VAL 80 3HG2 VAL 80 0.394 7.697 4.456 651 HG22 VAL 80 1HG2 VAL 80 0.743 6.547 3.159 652 HG23 VAL 80 2HG2 VAL 80 0.721 6.006 4.838 653 H GLU 81 H GLU 81 -3.893 8.081 4.952 654 HA GLU 81 HA GLU 81 -2.603 10.540 5.685 655 HB2 GLU 81 2HB GLU 81 -4.752 11.622 5.201 656 HB3 GLU 81 1HB GLU 81 -4.330 10.479 3.929 657 HG2 GLU 81 2HG GLU 81 -5.944 8.879 4.716 658 HG3 GLU 81 1HG GLU 81 -6.250 9.823 6.171 659 H GLN 82 H GLN 82 -4.941 8.378 7.245 660 HA GLN 82 HA GLN 82 -5.652 10.166 9.340 661 HB2 GLN 82 2HB GLN 82 -6.877 8.346 10.357 662 HB3 GLN 82 1HB GLN 82 -7.137 8.278 8.620 663 HG2 GLN 82 2HG GLN 82 -5.590 6.416 8.410 664 HG3 GLN 82 1HG GLN 82 -5.154 6.541 10.111 665 HE21 GLN 82 1HE2 GLN 82 -6.566 5.704 11.678 666 HE22 GLN 82 2HE2 GLN 82 -7.901 4.689 11.264 667 H LEU 83 H LEU 83 -3.206 7.641 9.030 668 HA LEU 83 HA LEU 83 -2.505 7.376 11.749 669 HB2 LEU 83 2HB LEU 83 -0.796 6.995 9.269 670 HB3 LEU 83 1HB LEU 83 -0.347 6.454 10.881 671 HG LEU 83 HG LEU 83 -2.722 5.428 9.287 672 HD11 LEU 83 1HD1 LEU 83 -0.625 4.662 8.318 673 HD12 LEU 83 2HD1 LEU 83 -1.439 3.327 9.128 674 HD13 LEU 83 3HD1 LEU 83 -0.058 4.113 9.899 675 HD21 LEU 83 3HD2 LEU 83 -3.194 5.357 11.677 676 HD22 LEU 83 1HD2 LEU 83 -1.662 4.528 11.973 677 HD23 LEU 83 2HD2 LEU 83 -2.937 3.733 11.047 678 H LYS 84 H LYS 84 -1.372 9.581 9.251 679 HA LYS 84 HA LYS 84 0.663 10.862 10.815 680 HB2 LYS 84 2HB LYS 84 -0.734 11.827 8.283 681 HB3 LYS 84 1HB LYS 84 0.746 12.504 8.954 682 HG2 LYS 84 2HG LYS 84 1.902 10.369 8.563 683 HG3 LYS 84 1HG LYS 84 0.424 9.682 7.900 684 HD2 LYS 84 2HD LYS 84 1.828 12.098 6.696 685 HD3 LYS 84 1HD LYS 84 2.166 10.441 6.210 686 HE2 LYS 84 2HE LYS 84 0.649 11.455 4.614 687 HE3 LYS 84 1HE LYS 84 -0.197 10.188 5.495 688 HZ1 LYS 84 3HZ LYS 84 -1.288 11.861 6.822 689 HZ2 LYS 84 1HZ LYS 84 -1.539 12.190 5.186 690 HZ3 LYS 84 2HZ LYS 84 -0.425 13.099 6.071 691 H ALA 85 H ALA 85 -2.779 11.278 10.496 692 HA ALA 85 HA ALA 85 -2.906 13.877 11.797 693 HB1 ALA 85 3HB ALA 85 -5.091 11.839 11.226 694 HB2 ALA 85 1HB ALA 85 -4.626 13.174 10.163 695 HB3 ALA 85 2HB ALA 85 -5.338 13.508 11.744 696 H GLU 86 H GLU 86 -3.567 10.508 12.721 697 HA GLU 86 HA GLU 86 -4.667 11.034 15.270 698 HB2 GLU 86 2HB GLU 86 -3.577 8.423 14.132 699 HB3 GLU 86 1HB GLU 86 -4.500 8.543 15.621 700 HG2 GLU 86 2HG GLU 86 -5.473 9.013 12.797 701 HG3 GLU 86 1HG GLU 86 -5.919 7.703 13.883 702 H SER 87 H SER 87 -1.561 9.662 14.214 703 HA SER 87 HA SER 87 -0.561 9.283 16.874 704 HB2 SER 87 2HB SER 87 0.969 9.217 14.240 705 HB3 SER 87 1HB SER 87 1.462 8.470 15.764 706 HG SER 87 HG SER 87 -0.486 7.688 13.927 707 H ALA 88 H ALA 88 -0.561 11.971 14.714 708 HA ALA 88 HA ALA 88 1.702 13.324 15.990 709 HB1 ALA 88 3HB ALA 88 1.463 15.022 14.273 710 HB2 ALA 88 1HB ALA 88 -0.035 14.278 13.704 711 HB3 ALA 88 2HB ALA 88 1.496 13.419 13.534 712 H LEU 89 H LEU 89 -1.552 14.559 15.130 713 HA LEU 89 HA LEU 89 -1.203 16.409 17.413 714 HB2 LEU 89 2HB LEU 89 -2.412 18.058 15.956 715 HB3 LEU 89 1HB LEU 89 -0.819 17.551 15.426 716 HG LEU 89 HG LEU 89 -2.074 15.951 13.784 717 HD11 LEU 89 1HD1 LEU 89 -4.367 17.843 14.379 718 HD12 LEU 89 2HD1 LEU 89 -4.332 16.107 14.696 719 HD13 LEU 89 3HD1 LEU 89 -4.296 16.698 13.038 720 HD21 LEU 89 3HD2 LEU 89 -0.792 17.911 13.043 721 HD22 LEU 89 1HD2 LEU 89 -2.181 18.958 13.346 722 HD23 LEU 89 2HD2 LEU 89 -2.255 17.729 12.080 723 H GLU 90 H GLU 90 -3.468 14.176 15.970 724 HA GLU 90 HA GLU 90 -5.801 15.248 17.251 725 HB2 GLU 90 2HB GLU 90 -5.872 14.120 15.054 726 HB3 GLU 90 1HB GLU 90 -5.279 12.634 15.792 727 HG2 GLU 90 2HG GLU 90 -7.636 12.538 15.368 728 HG3 GLU 90 1HG GLU 90 -7.301 12.434 17.088 729 H281 4EM 101 2H28 PYA 142 2.060 -11.357 7.530 730 H283 4EM 101 3H28 PYA 142 3.231 -10.129 7.999 731 H303 4EM 101 3H30 PYA 142 1.289 -12.497 10.992 732 H301 4EM 101 1H30 PYA 142 2.442 -13.264 9.889 733 H302 4EM 101 2H30 PYA 142 0.871 -12.703 9.292 734 H312 4EM 101 2H31 PYA 142 0.771 -10.064 10.773 735 H313 4EM 101 3H31 PYA 142 1.583 -9.082 9.560 736 H311 4EM 101 1H31 PYA 142 0.385 -10.285 9.060 737 H32 4EM 101 H32 PYA 142 4.265 -11.431 10.481 738 H33 4EM 101 H33 PYA 142 4.626 -9.267 11.032 739 H36 4EM 101 H36 PYA 142 2.006 -9.185 12.124 740 H373 4EM 101 3H37 PYA 142 2.306 -10.692 14.639 741 H372 4EM 101 2H37 PYA 142 1.725 -9.043 14.461 742 H382 4EM 101 2H38 PYA 142 -0.087 -10.583 15.107 743 H383 4EM 101 3H38 PYA 142 0.217 -11.541 13.657 744 H41 4EM 101 H41 PYA 142 -1.739 -11.256 12.607 745 H423 4EM 101 3H42 PYA 142 -2.285 -8.722 11.324 746 H422 4EM 101 2H42 PYA 142 -3.491 -9.199 12.518 747 H433 4EM 101 3H43 PYA 142 -4.254 -9.844 10.321 748 H432 4EM 101 2H43 PYA 142 -3.861 -11.299 11.238 749 H44 4EM 101 H44 PYA 142 -1.911 -11.501 10.098 750 H49 4EM 101 H49 PYA 142 -1.961 -9.500 6.042 751 H51 4EM 101 H51 PYA 142 -0.061 -10.970 5.001 752 H50 4EM 101 H50 PYA 142 0.640 -12.747 6.773 753 H48 4EM 101 H48 PYA 142 -0.862 -12.382 8.816 Start of MODEL 13 1 H1 MET 1 1H MET 1 7.141 16.202 -3.901 2 H2 MET 1 2H MET 1 5.985 17.310 -3.362 3 H3 MET 1 3H MET 1 5.568 16.152 -4.521 4 HA MET 1 HA MET 1 5.870 14.389 -2.970 5 HB2 MET 1 2HB MET 1 7.680 15.535 -1.658 6 HB3 MET 1 1HB MET 1 6.465 16.576 -0.926 7 HG2 MET 1 2HG MET 1 7.115 14.770 0.578 8 HG3 MET 1 1HG MET 1 5.417 14.609 0.117 9 HE1 MET 1 3HE MET 1 7.176 12.326 1.462 10 HE2 MET 1 1HE MET 1 6.771 10.896 0.509 11 HE3 MET 1 2HE MET 1 5.500 12.011 1.008 12 H ASP 2 H ASP 2 3.766 14.342 -3.761 13 HA ASP 2 HA ASP 2 1.681 15.925 -2.377 14 HB2 ASP 2 2HB ASP 2 1.605 14.571 -5.118 15 HB3 ASP 2 1HB ASP 2 0.272 15.459 -4.393 16 H GLY 3 H GLY 3 -0.296 14.833 -1.834 17 HA2 GLY 3 2HA GLY 3 0.073 12.288 -0.597 18 HA3 GLY 3 1HA GLY 3 -1.419 13.210 -0.677 19 H GLU 4 H GLU 4 -1.383 13.289 -3.657 20 HA GLU 4 HA GLU 4 -2.426 10.613 -4.194 21 HB2 GLU 4 2HB GLU 4 -2.459 13.136 -5.892 22 HB3 GLU 4 1HB GLU 4 -3.156 11.597 -6.392 23 HG2 GLU 4 2HG GLU 4 -4.545 11.749 -4.196 24 HG3 GLU 4 1HG GLU 4 -4.076 13.447 -4.185 25 H GLU 5 H GLU 5 0.367 12.515 -4.962 26 HA GLU 5 HA GLU 5 1.401 11.029 -7.151 27 HB2 GLU 5 2HB GLU 5 2.233 13.248 -6.642 28 HB3 GLU 5 1HB GLU 5 2.722 12.747 -5.026 29 HG2 GLU 5 2HG GLU 5 4.409 11.206 -6.110 30 HG3 GLU 5 1HG GLU 5 3.982 11.937 -7.657 31 H VAL 6 H VAL 6 1.809 10.738 -3.611 32 HA VAL 6 HA VAL 6 3.764 8.676 -3.706 33 HB VAL 6 HB VAL 6 3.329 8.237 -1.328 34 HG11 VAL 6 1HG1 VAL 6 4.780 10.132 -1.886 35 HG12 VAL 6 2HG1 VAL 6 3.872 10.458 -0.411 36 HG13 VAL 6 3HG1 VAL 6 3.384 11.215 -1.928 37 HG21 VAL 6 3HG2 VAL 6 0.984 10.164 -1.559 38 HG22 VAL 6 1HG2 VAL 6 1.591 9.460 -0.057 39 HG23 VAL 6 2HG2 VAL 6 0.869 8.425 -1.290 40 H LYS 7 H LYS 7 0.272 8.642 -3.906 41 HA LYS 7 HA LYS 7 -0.363 6.009 -3.311 42 HB2 LYS 7 2HB LYS 7 -1.561 7.867 -5.394 43 HB3 LYS 7 1HB LYS 7 -2.239 6.286 -5.044 44 HG2 LYS 7 2HG LYS 7 -2.521 7.072 -2.634 45 HG3 LYS 7 1HG LYS 7 -2.116 8.693 -3.212 46 HD2 LYS 7 2HD LYS 7 -4.476 6.973 -4.080 47 HD3 LYS 7 1HD LYS 7 -4.543 8.469 -3.157 48 HE2 LYS 7 2HE LYS 7 -3.619 9.673 -5.154 49 HE3 LYS 7 1HE LYS 7 -3.711 8.176 -6.066 50 HZ1 LYS 7 3HZ LYS 7 -6.084 9.369 -4.765 51 HZ2 LYS 7 1HZ LYS 7 -6.028 8.206 -5.990 52 HZ3 LYS 7 2HZ LYS 7 -5.596 9.809 -6.323 53 H GLU 8 H GLU 8 0.404 7.283 -6.580 54 HA GLU 8 HA GLU 8 0.430 4.741 -7.842 55 HB2 GLU 8 2HB GLU 8 1.357 5.862 -9.799 56 HB3 GLU 8 1HB GLU 8 0.051 6.824 -9.122 57 HG2 GLU 8 2HG GLU 8 1.725 8.319 -8.055 58 HG3 GLU 8 1HG GLU 8 3.019 7.372 -8.788 59 H LYS 9 H LYS 9 2.966 6.621 -6.207 60 HA LYS 9 HA LYS 9 5.185 5.093 -7.119 61 HB2 LYS 9 2HB LYS 9 4.936 6.680 -4.538 62 HB3 LYS 9 1HB LYS 9 6.436 6.053 -5.208 63 HG2 LYS 9 2HG LYS 9 6.020 7.522 -7.249 64 HG3 LYS 9 1HG LYS 9 4.695 8.261 -6.349 65 HD2 LYS 9 2HD LYS 9 7.643 8.274 -5.596 66 HD3 LYS 9 1HD LYS 9 6.684 9.652 -6.122 67 HE2 LYS 9 2HE LYS 9 5.430 9.666 -4.069 68 HE3 LYS 9 1HE LYS 9 6.100 8.112 -3.574 69 HZ1 LYS 9 3HZ LYS 9 8.282 9.174 -3.439 70 HZ2 LYS 9 1HZ LYS 9 7.160 9.862 -2.384 71 HZ3 LYS 9 2HZ LYS 9 7.591 10.666 -3.808 72 H ILE 10 H ILE 10 2.888 4.576 -4.500 73 HA ILE 10 HA ILE 10 4.183 2.395 -3.205 74 HB ILE 10 HB ILE 10 1.179 2.861 -3.505 75 HG12 ILE 10 2HG1 ILE 10 2.135 4.811 -2.433 76 HG13 ILE 10 1HG1 ILE 10 1.282 3.882 -1.215 77 HG21 ILE 10 1HG2 ILE 10 0.918 1.477 -1.462 78 HG22 ILE 10 2HG2 ILE 10 2.650 1.131 -1.493 79 HG23 ILE 10 3HG2 ILE 10 1.612 0.566 -2.804 80 HD11 ILE 10 3HD1 ILE 10 3.443 3.011 -0.398 81 HD12 ILE 10 1HD1 ILE 10 3.346 4.771 -0.337 82 HD13 ILE 10 2HD1 ILE 10 4.272 3.989 -1.615 83 H ARG 11 H ARG 11 1.893 2.619 -5.913 84 HA ARG 11 HA ARG 11 1.644 -0.217 -6.298 85 HB2 ARG 11 2HB ARG 11 0.900 1.962 -8.269 86 HB3 ARG 11 1HB ARG 11 0.348 0.294 -8.293 87 HG2 ARG 11 2HG ARG 11 -0.460 2.535 -6.457 88 HG3 ARG 11 1HG ARG 11 -1.468 1.506 -7.465 89 HD2 ARG 11 2HD ARG 11 -0.146 0.813 -4.830 90 HD3 ARG 11 1HD ARG 11 -1.863 0.887 -5.206 91 HE ARG 11 HE ARG 11 -1.243 -1.092 -6.788 92 HH11 ARG 11 1HH1 ARG 11 -0.014 -0.518 -3.552 93 HH12 ARG 11 2HH1 ARG 11 0.249 -2.194 -3.212 94 HH21 ARG 11 1HH2 ARG 11 -0.916 -3.321 -6.308 95 HH22 ARG 11 2HH2 ARG 11 -0.262 -3.776 -4.772 96 H ARG 12 H ARG 12 3.759 2.234 -7.618 97 HA ARG 12 HA ARG 12 4.785 0.687 -9.816 98 HB2 ARG 12 2HB ARG 12 5.453 3.328 -8.543 99 HB3 ARG 12 1HB ARG 12 6.783 2.527 -9.367 100 HG2 ARG 12 2HG ARG 12 5.608 4.147 -10.843 101 HG3 ARG 12 1HG ARG 12 5.543 2.495 -11.463 102 HD2 ARG 12 2HD ARG 12 3.253 2.250 -10.626 103 HD3 ARG 12 1HD ARG 12 3.314 3.873 -9.942 104 HE ARG 12 HE ARG 12 3.819 4.059 -12.696 105 HH11 ARG 12 1HH1 ARG 12 1.201 3.205 -10.518 106 HH12 ARG 12 2HH1 ARG 12 -0.047 3.696 -11.615 107 HH21 ARG 12 1HH2 ARG 12 2.186 4.733 -14.116 108 HH22 ARG 12 2HH2 ARG 12 0.515 4.569 -13.667 109 H TYR 13 H TYR 13 5.864 1.429 -6.526 110 HA TYR 13 HA TYR 13 8.169 -0.136 -6.395 111 HB2 TYR 13 2HB TYR 13 7.535 1.430 -4.612 112 HB3 TYR 13 1HB TYR 13 6.123 0.458 -4.214 113 HD1 TYR 13 HD1 TYR 13 9.857 -0.047 -4.591 114 HD2 TYR 13 HD2 TYR 13 6.352 -0.902 -2.279 115 HE1 TYR 13 HE1 TYR 13 11.214 -1.309 -2.991 116 HE2 TYR 13 HE2 TYR 13 7.726 -2.155 -0.681 117 HH TYR 13 HH TYR 13 10.053 -3.451 -0.910 118 H ILE 14 H ILE 14 4.780 -1.098 -6.027 119 HA ILE 14 HA ILE 14 5.256 -3.803 -5.289 120 HB ILE 14 HB ILE 14 2.808 -2.467 -6.497 121 HG12 ILE 14 2HG1 ILE 14 3.415 -1.680 -4.225 122 HG13 ILE 14 1HG1 ILE 14 1.904 -2.578 -4.199 123 HG21 ILE 14 1HG2 ILE 14 3.036 -5.285 -5.386 124 HG22 ILE 14 2HG2 ILE 14 2.672 -4.834 -7.053 125 HG23 ILE 14 3HG2 ILE 14 1.518 -4.468 -5.773 126 HD11 ILE 14 3HD1 ILE 14 4.603 -3.589 -3.322 127 HD12 ILE 14 1HD1 ILE 14 3.122 -4.553 -3.351 128 HD13 ILE 14 2HD1 ILE 14 3.245 -3.149 -2.294 129 H MET 15 H MET 15 4.196 -2.476 -8.468 130 HA MET 15 HA MET 15 4.224 -4.895 -9.915 131 HB2 MET 15 2HB MET 15 4.773 -2.058 -10.954 132 HB3 MET 15 1HB MET 15 4.379 -3.430 -11.973 133 HG2 MET 15 2HG MET 15 2.368 -2.805 -9.888 134 HG3 MET 15 1HG MET 15 2.583 -1.574 -11.124 135 HE1 MET 15 3HE MET 15 0.989 -5.854 -11.932 136 HE2 MET 15 1HE MET 15 1.337 -5.207 -10.329 137 HE3 MET 15 2HE MET 15 2.664 -5.636 -11.414 138 H GLU 16 H GLU 16 6.769 -2.382 -9.653 139 HA GLU 16 HA GLU 16 8.537 -3.653 -11.538 140 HB2 GLU 16 2HB GLU 16 9.073 -1.327 -9.636 141 HB3 GLU 16 1HB GLU 16 10.076 -1.788 -11.009 142 HG2 GLU 16 2HG GLU 16 8.339 -1.189 -12.574 143 HG3 GLU 16 1HG GLU 16 7.187 -0.909 -11.270 144 H ASP 17 H ASP 17 8.462 -3.387 -7.965 145 HA ASP 17 HA ASP 17 11.008 -4.896 -7.765 146 HB2 ASP 17 2HB ASP 17 10.976 -2.875 -6.427 147 HB3 ASP 17 1HB ASP 17 9.442 -3.313 -5.697 148 H LEU 18 H LEU 18 7.754 -5.030 -6.200 149 HA LEU 18 HA LEU 18 8.306 -7.521 -4.925 150 HB2 LEU 18 2HB LEU 18 5.742 -5.963 -5.260 151 HB3 LEU 18 1HB LEU 18 5.760 -7.520 -4.461 152 HG LEU 18 HG LEU 18 5.817 -5.910 -2.724 153 HD11 LEU 18 1HD1 LEU 18 7.873 -6.340 -1.534 154 HD12 LEU 18 2HD1 LEU 18 8.708 -6.793 -3.019 155 HD13 LEU 18 3HD1 LEU 18 7.396 -7.798 -2.393 156 HD21 LEU 18 3HD2 LEU 18 8.133 -4.471 -4.054 157 HD22 LEU 18 1HD2 LEU 18 7.374 -4.052 -2.514 158 HD23 LEU 18 2HD2 LEU 18 6.459 -3.916 -4.012 159 H ILE 19 H ILE 19 6.602 -6.763 -7.948 160 HA ILE 19 HA ILE 19 6.149 -9.611 -8.482 161 HB ILE 19 HB ILE 19 5.465 -7.178 -10.191 162 HG12 ILE 19 2HG1 ILE 19 3.094 -7.787 -9.835 163 HG13 ILE 19 1HG1 ILE 19 3.574 -9.149 -8.872 164 HG21 ILE 19 1HG2 ILE 19 6.056 -9.035 -11.679 165 HG22 ILE 19 2HG2 ILE 19 4.310 -8.775 -11.735 166 HG23 ILE 19 3HG2 ILE 19 4.970 -10.119 -10.801 167 HD11 ILE 19 3HD1 ILE 19 2.691 -7.399 -7.511 168 HD12 ILE 19 1HD1 ILE 19 3.898 -6.273 -8.136 169 HD13 ILE 19 2HD1 ILE 19 4.400 -7.650 -7.150 170 H GLY 20 H GLY 20 7.974 -6.873 -9.824 171 HA2 GLY 20 2HA GLY 20 10.290 -7.160 -10.543 172 HA3 GLY 20 1HA GLY 20 9.859 -8.747 -11.175 173 HA PRO 21 HA PRO 21 9.678 -5.672 -14.753 174 HB2 PRO 21 2HB PRO 21 11.083 -7.227 -16.544 175 HB3 PRO 21 1HB PRO 21 11.884 -6.152 -15.383 176 HG2 PRO 21 2HG PRO 21 11.412 -9.109 -15.173 177 HG3 PRO 21 1HG PRO 21 12.892 -8.175 -14.844 178 HD2 PRO 21 2HD PRO 21 11.261 -8.969 -12.836 179 HD3 PRO 21 1HD PRO 21 12.127 -7.415 -12.777 180 H SER 22 H SER 22 8.791 -8.943 -14.177 181 HA SER 22 HA SER 22 7.157 -9.354 -16.547 182 HB2 SER 22 2HB SER 22 7.466 -10.963 -13.973 183 HB3 SER 22 1HB SER 22 6.702 -11.528 -15.461 184 HG SER 22 HG SER 22 8.657 -12.195 -15.906 185 H ALA 23 H ALA 23 6.505 -7.041 -14.766 186 HA ALA 23 HA ALA 23 4.370 -7.480 -13.007 187 HB1 ALA 23 3HB ALA 23 5.092 -4.980 -14.567 188 HB2 ALA 23 1HB ALA 23 5.746 -5.460 -12.998 189 HB3 ALA 23 2HB ALA 23 4.039 -5.045 -13.148 190 H LYS 24 H LYS 24 2.293 -7.944 -13.331 191 HA LYS 24 HA LYS 24 1.017 -7.665 -15.960 192 HB2 LYS 24 2HB LYS 24 -0.084 -8.976 -13.444 193 HB3 LYS 24 1HB LYS 24 -0.866 -8.943 -15.021 194 HG2 LYS 24 2HG LYS 24 0.042 -11.068 -14.967 195 HG3 LYS 24 1HG LYS 24 1.266 -10.167 -15.868 196 HD2 LYS 24 2HD LYS 24 2.631 -9.970 -13.811 197 HD3 LYS 24 1HD LYS 24 1.388 -10.835 -12.901 198 HE2 LYS 24 2HE LYS 24 3.224 -12.331 -13.483 199 HE3 LYS 24 1HE LYS 24 1.747 -12.823 -14.308 200 HZ1 LYS 24 3HZ LYS 24 2.543 -11.814 -16.316 201 HZ2 LYS 24 1HZ LYS 24 3.692 -12.904 -15.735 202 HZ3 LYS 24 2HZ LYS 24 3.930 -11.246 -15.537 203 H GLU 25 H GLU 25 0.781 -5.491 -16.053 204 HA GLU 25 HA GLU 25 -0.106 -3.809 -13.917 205 HB2 GLU 25 2HB GLU 25 0.152 -3.178 -16.891 206 HB3 GLU 25 1HB GLU 25 0.086 -1.997 -15.581 207 HG2 GLU 25 2HG GLU 25 2.229 -2.755 -14.711 208 HG3 GLU 25 1HG GLU 25 2.289 -4.063 -15.895 209 H ASP 26 H ASP 26 -1.686 -5.634 -16.311 210 HA ASP 26 HA ASP 26 -4.182 -4.264 -16.537 211 HB2 ASP 26 2HB ASP 26 -3.314 -5.903 -18.220 212 HB3 ASP 26 1HB ASP 26 -3.491 -7.196 -17.037 213 H GLU 27 H GLU 27 -2.845 -6.587 -14.281 214 HA GLU 27 HA GLU 27 -5.399 -7.333 -13.097 215 HB2 GLU 27 2HB GLU 27 -2.542 -8.049 -12.330 216 HB3 GLU 27 1HB GLU 27 -3.978 -8.695 -11.529 217 HG2 GLU 27 2HG GLU 27 -4.711 -9.615 -13.773 218 HG3 GLU 27 1HG GLU 27 -3.135 -9.140 -14.413 219 H LEU 28 H LEU 28 -2.737 -5.152 -12.401 220 HA LEU 28 HA LEU 28 -3.767 -4.453 -9.790 221 HB2 LEU 28 2HB LEU 28 -1.312 -4.571 -10.390 222 HB3 LEU 28 1HB LEU 28 -1.528 -3.129 -11.354 223 HG LEU 28 HG LEU 28 -2.261 -3.038 -8.413 224 HD11 LEU 28 1HD1 LEU 28 0.010 -2.439 -7.769 225 HD12 LEU 28 2HD1 LEU 28 0.572 -2.709 -9.420 226 HD13 LEU 28 3HD1 LEU 28 -0.018 -4.064 -8.458 227 HD21 LEU 28 3HD2 LEU 28 -2.792 -1.068 -9.779 228 HD22 LEU 28 1HD2 LEU 28 -1.103 -0.937 -10.281 229 HD23 LEU 28 2HD2 LEU 28 -1.551 -0.680 -8.592 230 H ASP 29 H ASP 29 -4.890 -2.669 -9.300 231 HA ASP 29 HA ASP 29 -5.113 -0.330 -10.995 232 HB2 ASP 29 2HB ASP 29 -7.021 -2.000 -11.650 233 HB3 ASP 29 1HB ASP 29 -7.672 -1.699 -10.044 234 H ASP 30 H ASP 30 -6.497 1.373 -9.680 235 HA ASP 30 HA ASP 30 -5.459 1.348 -6.985 236 HB2 ASP 30 2HB ASP 30 -6.230 3.633 -6.786 237 HB3 ASP 30 1HB ASP 30 -5.377 3.435 -8.309 238 H GLN 31 H GLN 31 -8.510 0.700 -8.519 239 HA GLN 31 HA GLN 31 -9.936 0.619 -5.925 240 HB2 GLN 31 2HB GLN 31 -11.019 0.502 -8.778 241 HB3 GLN 31 1HB GLN 31 -12.014 0.420 -7.326 242 HG2 GLN 31 2HG GLN 31 -11.226 2.696 -6.699 243 HG3 GLN 31 1HG GLN 31 -10.332 2.783 -8.220 244 HE21 GLN 31 1HE2 GLN 31 -12.538 4.475 -7.238 245 HE22 GLN 31 2HE2 GLN 31 -13.787 4.373 -8.429 246 H THR 32 H THR 32 -8.309 -1.514 -8.014 247 HA THR 32 HA THR 32 -9.999 -3.842 -7.684 248 HB THR 32 HB THR 32 -7.178 -3.442 -8.751 249 HG1 THR 32 HG1 THR 32 -9.482 -3.102 -9.822 250 HG21 THR 32 3HG2 THR 32 -8.681 -6.090 -8.631 251 HG22 THR 32 1HG2 THR 32 -7.193 -5.704 -7.757 252 HG23 THR 32 2HG2 THR 32 -7.186 -5.792 -9.517 253 HA PRO 33 HA PRO 33 -8.496 -4.784 -3.508 254 HB2 PRO 33 2HB PRO 33 -9.489 -7.376 -3.345 255 HB3 PRO 33 1HB PRO 33 -10.463 -5.914 -3.076 256 HG2 PRO 33 2HG PRO 33 -10.277 -7.617 -5.526 257 HG3 PRO 33 1HG PRO 33 -11.699 -6.845 -4.789 258 HD2 PRO 33 2HD PRO 33 -10.476 -5.797 -6.961 259 HD3 PRO 33 1HD PRO 33 -11.245 -4.767 -5.738 260 H LEU 34 H LEU 34 -6.395 -4.871 -3.613 261 HA LEU 34 HA LEU 34 -4.687 -6.393 -5.173 262 HB2 LEU 34 2HB LEU 34 -4.045 -5.039 -2.532 263 HB3 LEU 34 1HB LEU 34 -2.926 -5.375 -3.843 264 HG LEU 34 HG LEU 34 -5.269 -3.441 -4.095 265 HD11 LEU 34 1HD1 LEU 34 -3.772 -2.571 -2.403 266 HD12 LEU 34 2HD1 LEU 34 -3.645 -1.612 -3.876 267 HD13 LEU 34 3HD1 LEU 34 -2.383 -2.780 -3.476 268 HD21 LEU 34 3HD2 LEU 34 -4.062 -2.595 -6.097 269 HD22 LEU 34 1HD2 LEU 34 -4.541 -4.283 -6.273 270 HD23 LEU 34 2HD2 LEU 34 -2.861 -3.875 -5.909 271 H LEU 35 H LEU 35 -5.537 -6.803 -1.691 272 HA LEU 35 HA LEU 35 -4.022 -9.123 -1.126 273 HB2 LEU 35 2HB LEU 35 -6.629 -8.087 0.025 274 HB3 LEU 35 1HB LEU 35 -5.993 -9.631 0.561 275 HG LEU 35 HG LEU 35 -5.476 -7.839 2.142 276 HD11 LEU 35 1HD1 LEU 35 -3.088 -8.235 2.471 277 HD12 LEU 35 2HD1 LEU 35 -2.942 -8.882 0.836 278 HD13 LEU 35 3HD1 LEU 35 -3.920 -9.726 2.039 279 HD21 LEU 35 3HD2 LEU 35 -5.382 -5.926 0.663 280 HD22 LEU 35 1HD2 LEU 35 -3.893 -6.524 -0.078 281 HD23 LEU 35 2HD2 LEU 35 -3.908 -6.036 1.617 282 H GLU 36 H GLU 36 -7.215 -8.721 -2.519 283 HA GLU 36 HA GLU 36 -8.027 -11.438 -2.445 284 HB2 GLU 36 2HB GLU 36 -9.526 -9.391 -2.561 285 HB3 GLU 36 1HB GLU 36 -9.060 -9.228 -4.248 286 HG2 GLU 36 2HG GLU 36 -11.226 -10.266 -4.111 287 HG3 GLU 36 1HG GLU 36 -10.065 -11.445 -4.716 288 H TRP 37 H TRP 37 -6.284 -9.470 -4.770 289 HA TRP 37 HA TRP 37 -6.347 -11.600 -6.833 290 HB2 TRP 37 2HB TRP 37 -5.435 -8.703 -6.854 291 HB3 TRP 37 1HB TRP 37 -5.059 -9.798 -8.183 292 HD1 TRP 37 HD1 TRP 37 -8.420 -9.078 -6.278 293 HE1 TRP 37 HE1 TRP 37 -10.233 -8.639 -8.021 294 HE3 TRP 37 HE3 TRP 37 -5.601 -9.559 -10.524 295 HZ2 TRP 37 HZ2 TRP 37 -10.472 -8.507 -10.821 296 HZ3 TRP 37 HZ3 TRP 37 -6.711 -9.258 -12.701 297 HH2 TRP 37 HH2 TRP 37 -9.097 -8.744 -12.845 298 H GLY 38 H GLY 38 -4.648 -11.256 -4.125 299 HA2 GLY 38 2HA GLY 38 -2.736 -12.258 -3.369 300 HA3 GLY 38 1HA GLY 38 -2.570 -13.026 -4.937 301 H ILE 39 H ILE 39 -2.733 -9.594 -4.889 302 HA ILE 39 HA ILE 39 -0.085 -9.212 -5.945 303 HB ILE 39 HB ILE 39 -2.243 -7.203 -5.112 304 HG12 ILE 39 2HG1 ILE 39 -1.552 -8.221 -7.909 305 HG13 ILE 39 1HG1 ILE 39 -2.963 -8.710 -6.981 306 HG21 ILE 39 1HG2 ILE 39 0.238 -6.665 -6.773 307 HG22 ILE 39 2HG2 ILE 39 -0.031 -6.126 -5.115 308 HG23 ILE 39 3HG2 ILE 39 -1.042 -5.501 -6.419 309 HD11 ILE 39 3HD1 ILE 39 -3.570 -7.109 -8.680 310 HD12 ILE 39 1HD1 ILE 39 -2.400 -5.945 -8.058 311 HD13 ILE 39 2HD1 ILE 39 -3.803 -6.394 -7.084 312 H LEU 40 H LEU 40 -1.765 -8.822 -2.889 313 HA LEU 40 HA LEU 40 0.780 -8.243 -1.473 314 HB2 LEU 40 2HB LEU 40 -2.016 -7.413 -0.594 315 HB3 LEU 40 1HB LEU 40 -0.498 -6.999 0.184 316 HG LEU 40 HG LEU 40 -1.450 -5.978 -2.520 317 HD11 LEU 40 1HD1 LEU 40 -1.585 -3.781 -1.391 318 HD12 LEU 40 2HD1 LEU 40 -1.228 -4.561 0.153 319 HD13 LEU 40 3HD1 LEU 40 -2.709 -4.968 -0.728 320 HD21 LEU 40 3HD2 LEU 40 0.515 -4.511 -2.488 321 HD22 LEU 40 1HD2 LEU 40 0.978 -6.209 -2.522 322 HD23 LEU 40 2HD2 LEU 40 1.092 -5.292 -1.014 323 H ASN 41 H ASN 41 1.269 -9.649 0.153 324 HA ASN 41 HA ASN 41 -0.535 -10.925 1.888 325 HB2 ASN 41 2HB ASN 41 -0.917 -12.388 -0.181 326 HB3 ASN 41 1HB ASN 41 0.767 -12.879 -0.100 327 HD21 ASN 41 1HD2 ASN 41 -1.596 -14.544 0.027 328 HD22 ASN 41 2HD2 ASN 41 -1.556 -15.359 1.548 329 H SER 42 H SER 42 0.726 -10.618 3.628 330 HA SER 42 HA SER 42 2.465 -10.504 5.056 331 HB2 SER 42 3HB SER 42 1.487 -12.744 5.343 332 HB3 SER 42 2HB SER 42 2.694 -13.413 4.228 333 H MET 43 H MET 43 4.074 -12.820 2.913 334 HA MET 43 HA MET 43 6.676 -12.233 3.468 335 HB2 MET 43 2HB MET 43 7.222 -13.452 1.405 336 HB3 MET 43 1HB MET 43 5.931 -14.246 2.291 337 HG2 MET 43 2HG MET 43 4.577 -12.541 0.498 338 HG3 MET 43 1HG MET 43 5.922 -13.186 -0.435 339 HE1 MET 43 3HE MET 43 3.726 -14.859 2.486 340 HE2 MET 43 1HE MET 43 2.561 -15.736 1.497 341 HE3 MET 43 2HE MET 43 2.582 -13.968 1.481 342 H ASN 44 H ASN 44 4.631 -10.568 1.084 343 HA ASN 44 HA ASN 44 6.903 -8.798 0.340 344 HB2 ASN 44 2HB ASN 44 5.808 -8.408 -1.775 345 HB3 ASN 44 1HB ASN 44 5.911 -10.142 -1.515 346 HD21 ASN 44 1HD2 ASN 44 4.123 -8.612 -3.262 347 HD22 ASN 44 2HD2 ASN 44 2.525 -9.064 -2.793 348 H ILE 45 H ILE 45 3.996 -8.896 2.078 349 HA ILE 45 HA ILE 45 3.109 -6.194 1.689 350 HB ILE 45 HB ILE 45 1.823 -8.414 2.640 351 HG12 ILE 45 2HG1 ILE 45 0.981 -5.579 3.396 352 HG13 ILE 45 1HG1 ILE 45 0.738 -6.297 1.809 353 HG21 ILE 45 1HG2 ILE 45 1.278 -8.248 5.021 354 HG22 ILE 45 2HG2 ILE 45 2.323 -6.837 5.193 355 HG23 ILE 45 3HG2 ILE 45 3.029 -8.412 4.833 356 HD11 ILE 45 3HD1 ILE 45 -1.311 -6.360 3.094 357 HD12 ILE 45 1HD1 ILE 45 -0.504 -7.231 4.399 358 HD13 ILE 45 2HD1 ILE 45 -0.720 -8.004 2.826 359 H VAL 46 H VAL 46 5.466 -7.719 3.723 360 HA VAL 46 HA VAL 46 5.679 -5.780 5.802 361 HB VAL 46 HB VAL 46 7.862 -7.681 4.829 362 HG11 VAL 46 1HG1 VAL 46 8.723 -7.527 7.144 363 HG12 VAL 46 2HG1 VAL 46 7.448 -6.371 7.542 364 HG13 VAL 46 3HG1 VAL 46 8.694 -5.942 6.368 365 HG21 VAL 46 3HG2 VAL 46 5.755 -8.195 6.960 366 HG22 VAL 46 1HG2 VAL 46 7.075 -9.281 6.520 367 HG23 VAL 46 2HG2 VAL 46 5.790 -8.934 5.362 368 H LYS 47 H LYS 47 6.821 -5.922 2.551 369 HA LYS 47 HA LYS 47 8.959 -4.057 2.671 370 HB2 LYS 47 2HB LYS 47 7.276 -5.082 0.371 371 HB3 LYS 47 1HB LYS 47 8.490 -3.832 0.122 372 HG2 LYS 47 2HG LYS 47 9.429 -5.976 -0.461 373 HG3 LYS 47 1HG LYS 47 10.235 -5.360 0.980 374 HD2 LYS 47 2HD LYS 47 8.821 -6.856 2.385 375 HD3 LYS 47 1HD LYS 47 8.059 -7.478 0.926 376 HE2 LYS 47 2HE LYS 47 9.783 -9.019 1.723 377 HE3 LYS 47 1HE LYS 47 10.248 -8.340 0.164 378 HZ1 LYS 47 3HZ LYS 47 12.106 -8.346 1.648 379 HZ2 LYS 47 1HZ LYS 47 11.249 -7.483 2.820 380 HZ3 LYS 47 2HZ LYS 47 11.655 -6.748 1.353 381 H LEU 48 H LEU 48 5.501 -3.727 2.496 382 HA LEU 48 HA LEU 48 5.461 -0.936 1.759 383 HB2 LEU 48 2HB LEU 48 3.278 -2.741 2.886 384 HB3 LEU 48 1HB LEU 48 3.017 -1.051 2.483 385 HG LEU 48 HG LEU 48 2.150 -2.344 0.663 386 HD11 LEU 48 1HD1 LEU 48 4.828 -1.197 -0.241 387 HD12 LEU 48 2HD1 LEU 48 3.330 -0.286 -0.029 388 HD13 LEU 48 3HD1 LEU 48 3.432 -1.527 -1.273 389 HD21 LEU 48 3HD2 LEU 48 3.404 -3.994 -0.630 390 HD22 LEU 48 1HD2 LEU 48 3.338 -4.474 1.063 391 HD23 LEU 48 2HD2 LEU 48 4.819 -3.776 0.402 392 H MET 49 H MET 49 5.403 -2.786 4.754 393 HA MET 49 HA MET 49 4.592 -0.795 6.587 394 HB2 MET 49 2HB MET 49 6.525 -3.089 7.155 395 HB3 MET 49 1HB MET 49 5.564 -2.218 8.343 396 HG2 MET 49 2HG MET 49 3.511 -3.179 7.442 397 HG3 MET 49 1HG MET 49 4.430 -3.985 6.161 398 HE1 MET 49 3HE MET 49 3.969 -6.519 6.573 399 HE2 MET 49 1HE MET 49 2.654 -5.958 7.599 400 HE3 MET 49 2HE MET 49 3.747 -7.210 8.181 401 H VAL 50 H VAL 50 7.825 -1.822 5.521 402 HA VAL 50 HA VAL 50 9.245 0.223 6.987 403 HB VAL 50 HB VAL 50 10.273 -1.997 6.509 404 HG11 VAL 50 1HG1 VAL 50 11.179 -2.531 4.265 405 HG12 VAL 50 2HG1 VAL 50 10.399 -1.092 3.605 406 HG13 VAL 50 3HG1 VAL 50 9.419 -2.417 4.239 407 HG21 VAL 50 3HG2 VAL 50 11.769 -0.118 7.037 408 HG22 VAL 50 1HG2 VAL 50 11.848 0.319 5.327 409 HG23 VAL 50 2HG2 VAL 50 12.537 -1.207 5.881 410 H TYR 51 H TYR 51 7.897 -0.085 3.742 411 HA TYR 51 HA TYR 51 9.445 1.839 2.358 412 HB2 TYR 51 2HB TYR 51 7.816 0.192 1.253 413 HB3 TYR 51 1HB TYR 51 6.511 1.238 1.766 414 HD1 TYR 51 HD1 TYR 51 9.536 1.078 -0.422 415 HD2 TYR 51 HD2 TYR 51 5.998 3.286 0.533 416 HE1 TYR 51 HE1 TYR 51 9.837 2.443 -2.443 417 HE2 TYR 51 HE2 TYR 51 6.299 4.638 -1.484 418 HH TYR 51 HH TYR 51 8.075 5.328 -2.992 419 H ILE 52 H ILE 52 6.216 2.098 3.753 420 HA ILE 52 HA ILE 52 5.786 4.848 3.244 421 HB ILE 52 HB ILE 52 4.391 3.025 5.263 422 HG12 ILE 52 2HG1 ILE 52 3.500 3.586 2.394 423 HG13 ILE 52 1HG1 ILE 52 4.519 2.209 2.792 424 HG21 ILE 52 1HG2 ILE 52 3.387 5.541 3.914 425 HG22 ILE 52 2HG2 ILE 52 3.882 5.407 5.598 426 HG23 ILE 52 3HG2 ILE 52 2.467 4.521 5.025 427 HD11 ILE 52 3HD1 ILE 52 2.209 1.577 2.581 428 HD12 ILE 52 1HD1 ILE 52 1.746 2.712 3.851 429 HD13 ILE 52 2HD1 ILE 52 2.779 1.324 4.228 430 H ARG 53 H ARG 53 7.180 3.105 5.933 431 HA ARG 53 HA ARG 53 7.235 5.164 7.889 432 HB2 ARG 53 2HB ARG 53 7.454 2.753 8.388 433 HB3 ARG 53 1HB ARG 53 9.013 2.722 7.574 434 HG2 ARG 53 2HG ARG 53 9.912 4.296 9.293 435 HG3 ARG 53 1HG ARG 53 8.351 4.254 10.116 436 HD2 ARG 53 2HD ARG 53 8.607 1.829 10.506 437 HD3 ARG 53 1HD ARG 53 10.161 1.847 9.661 438 HE ARG 53 HE ARG 53 9.562 2.961 12.305 439 HH11 ARG 53 1HH1 ARG 53 12.001 2.410 9.834 440 HH12 ARG 53 2HH1 ARG 53 13.319 2.748 10.906 441 HH21 ARG 53 1HH2 ARG 53 11.300 3.417 13.677 442 HH22 ARG 53 2HH2 ARG 53 12.924 3.315 13.071 443 H ASP 54 H ASP 54 9.345 4.409 5.191 444 HA ASP 54 HA ASP 54 11.399 6.384 5.934 445 HB2 ASP 54 2HB ASP 54 11.962 4.150 4.847 446 HB3 ASP 54 1HB ASP 54 11.130 4.695 3.394 447 H GLU 55 H GLU 55 8.929 5.834 3.540 448 HA GLU 55 HA GLU 55 9.385 7.888 1.698 449 HB2 GLU 55 2HB GLU 55 8.122 5.858 1.168 450 HB3 GLU 55 1HB GLU 55 6.922 6.251 2.386 451 HG2 GLU 55 2HG GLU 55 5.970 6.657 0.240 452 HG3 GLU 55 1HG GLU 55 6.216 8.213 1.025 453 H MET 56 H MET 56 6.905 7.614 4.222 454 HA MET 56 HA MET 56 6.418 10.537 4.164 455 HB2 MET 56 2HB MET 56 4.454 8.220 4.299 456 HB3 MET 56 1HB MET 56 3.987 9.848 4.768 457 HG2 MET 56 2HG MET 56 4.321 10.682 2.556 458 HG3 MET 56 1HG MET 56 5.113 9.198 2.033 459 HE1 MET 56 3HE MET 56 3.919 7.105 1.165 460 HE2 MET 56 1HE MET 56 2.245 6.689 1.524 461 HE3 MET 56 2HE MET 56 3.432 6.765 2.826 462 H GLY 57 H GLY 57 7.701 8.161 5.981 463 HA2 GLY 57 2HA GLY 57 8.418 8.156 8.161 464 HA3 GLY 57 1HA GLY 57 7.524 9.635 8.460 465 H VAL 58 H VAL 58 5.594 7.107 7.124 466 HA VAL 58 HA VAL 58 4.128 6.976 9.687 467 HB VAL 58 HB VAL 58 3.188 6.120 6.915 468 HG11 VAL 58 1HG1 VAL 58 1.599 6.590 9.444 469 HG12 VAL 58 2HG1 VAL 58 1.907 5.036 8.659 470 HG13 VAL 58 3HG1 VAL 58 0.909 6.248 7.853 471 HG21 VAL 58 3HG2 VAL 58 1.937 8.233 6.790 472 HG22 VAL 58 1HG2 VAL 58 3.681 8.505 6.860 473 HG23 VAL 58 2HG2 VAL 58 2.687 8.764 8.297 474 H SER 59 H SER 59 4.598 5.239 10.897 475 HA SER 59 HA SER 59 5.610 2.746 9.756 476 HB2 SER 59 2HB SER 59 5.008 3.446 12.668 477 HB3 SER 59 1HB SER 59 6.003 2.108 12.086 478 HG SER 59 HG SER 59 6.711 4.690 11.288 479 H ILE 60 H ILE 60 4.099 1.263 9.037 480 HA ILE 60 HA ILE 60 1.393 1.175 10.129 481 HB ILE 60 HB ILE 60 2.651 -0.819 8.182 482 HG12 ILE 60 2HG1 ILE 60 2.602 1.593 7.279 483 HG13 ILE 60 1HG1 ILE 60 1.736 0.399 6.318 484 HG21 ILE 60 1HG2 ILE 60 0.278 -1.355 7.646 485 HG22 ILE 60 2HG2 ILE 60 -0.258 -0.235 8.900 486 HG23 ILE 60 3HG2 ILE 60 0.667 -1.674 9.335 487 HD11 ILE 60 3HD1 ILE 60 0.495 2.375 8.236 488 HD12 ILE 60 1HD1 ILE 60 -0.397 1.168 7.298 489 HD13 ILE 60 2HD1 ILE 60 0.479 2.465 6.476 490 HA PRO 61 HA PRO 61 3.073 -1.749 13.263 491 HB2 PRO 61 2HB PRO 61 0.956 -1.593 15.009 492 HB3 PRO 61 1HB PRO 61 2.189 -0.319 14.897 493 HG2 PRO 61 2HG PRO 61 -0.550 -0.380 13.687 494 HG3 PRO 61 1HG PRO 61 0.291 0.959 14.496 495 HD2 PRO 61 2HD PRO 61 0.124 0.704 11.781 496 HD3 PRO 61 1HD PRO 61 1.465 1.531 12.594 497 H SER 62 H SER 62 2.222 -3.771 14.226 498 HA SER 62 HA SER 62 1.250 -5.515 12.250 499 HB2 SER 62 2HB SER 62 1.296 -7.200 14.110 500 HB3 SER 62 1HB SER 62 2.787 -6.271 13.968 501 HG SER 62 HG SER 62 2.324 -6.194 16.088 502 H THR 63 H THR 63 -0.384 -3.795 14.842 503 HA THR 63 HA THR 63 -2.886 -5.204 14.727 504 HB THR 63 HB THR 63 -2.070 -3.922 16.729 505 HG1 THR 63 HG1 THR 63 -4.296 -4.459 16.459 506 HG21 THR 63 3HG2 THR 63 -1.224 -1.885 15.602 507 HG22 THR 63 1HG2 THR 63 -2.398 -1.497 16.862 508 HG23 THR 63 2HG2 THR 63 -2.877 -1.445 15.166 509 H HIS 64 H HIS 64 -1.464 -2.935 12.618 510 HA HIS 64 HA HIS 64 -4.047 -2.197 11.375 511 HB2 HIS 64 2HB HIS 64 -1.340 -0.860 11.380 512 HB3 HIS 64 1HB HIS 64 -2.461 -0.559 10.049 513 HD1 HIS 64 HD1 HIS 64 -2.142 -0.078 13.792 514 HD2 HIS 64 HD2 HIS 64 -4.553 1.146 10.647 515 HE1 HIS 64 HE1 HIS 64 -3.622 1.693 14.742 516 HE2 HIS 64 HE2 HIS 64 -5.233 2.221 12.887 517 H ILE 65 H ILE 65 -1.757 -4.565 11.082 518 HA ILE 65 HA ILE 65 -1.769 -4.706 8.177 519 HB ILE 65 HB ILE 65 -0.885 -6.872 10.116 520 HG12 ILE 65 2HG1 ILE 65 0.476 -4.900 10.551 521 HG13 ILE 65 1HG1 ILE 65 1.449 -6.064 9.657 522 HG21 ILE 65 1HG2 ILE 65 -1.348 -7.719 7.844 523 HG22 ILE 65 2HG2 ILE 65 0.381 -7.784 8.185 524 HG23 ILE 65 3HG2 ILE 65 -0.268 -6.509 7.145 525 HD11 ILE 65 3HD1 ILE 65 1.782 -3.785 8.900 526 HD12 ILE 65 1HD1 ILE 65 0.075 -3.663 8.471 527 HD13 ILE 65 2HD1 ILE 65 1.124 -4.806 7.618 528 H THR 66 H THR 66 -3.841 -4.794 7.625 529 HA THR 66 HA THR 66 -5.096 -7.379 7.823 530 HB THR 66 HB THR 66 -6.126 -6.220 9.736 531 HG1 THR 66 HG1 THR 66 -7.691 -7.412 8.939 532 HG21 THR 66 3HG2 THR 66 -7.033 -4.091 7.773 533 HG22 THR 66 1HG2 THR 66 -5.783 -3.882 9.009 534 HG23 THR 66 2HG2 THR 66 -7.460 -4.186 9.484 535 H GLY 67 H GLY 67 -6.575 -7.719 6.132 536 HA2 GLY 67 2HA GLY 67 -5.916 -6.648 3.648 537 HA3 GLY 67 1HA GLY 67 -7.344 -7.606 4.004 538 H LYS 68 H LYS 68 -8.483 -5.739 5.906 539 HA LYS 68 HA LYS 68 -10.102 -4.210 4.202 540 HB2 LYS 68 2HB LYS 68 -10.854 -4.970 6.369 541 HB3 LYS 68 1HB LYS 68 -9.625 -4.018 7.195 542 HG2 LYS 68 2HG LYS 68 -10.733 -1.969 6.732 543 HG3 LYS 68 1HG LYS 68 -11.777 -2.703 5.506 544 HD2 LYS 68 2HD LYS 68 -13.006 -2.248 7.617 545 HD3 LYS 68 1HD LYS 68 -12.973 -3.967 7.227 546 HE2 LYS 68 2HE LYS 68 -11.070 -4.220 8.867 547 HE3 LYS 68 1HE LYS 68 -11.309 -2.535 9.328 548 HZ1 LYS 68 3HZ LYS 68 -13.253 -4.753 9.600 549 HZ2 LYS 68 1HZ LYS 68 -13.614 -3.132 9.929 550 HZ3 LYS 68 2HZ LYS 68 -12.450 -3.950 10.846 551 H TYR 69 H TYR 69 -7.216 -3.231 6.022 552 HA TYR 69 HA TYR 69 -7.458 -0.432 5.269 553 HB2 TYR 69 2HB TYR 69 -5.397 -1.976 6.875 554 HB3 TYR 69 1HB TYR 69 -5.127 -0.295 6.407 555 HD1 TYR 69 HD2 TYR 69 -7.967 0.740 6.675 556 HD2 TYR 69 HD1 TYR 69 -5.649 -1.717 9.298 557 HE1 TYR 69 HE2 TYR 69 -9.279 1.533 8.561 558 HE2 TYR 69 HE1 TYR 69 -6.983 -0.912 11.196 559 HH TYR 69 HH TYR 69 -9.917 0.801 10.789 560 H PHE 70 H PHE 70 -5.845 -3.254 4.088 561 HA PHE 70 HA PHE 70 -4.185 -1.689 2.218 562 HB2 PHE 70 2HB PHE 70 -3.984 -4.529 3.262 563 HB3 PHE 70 1HB PHE 70 -3.082 -4.016 1.846 564 HD1 PHE 70 HD2 PHE 70 -3.418 -3.563 5.529 565 HD2 PHE 70 HD1 PHE 70 -1.118 -2.609 2.045 566 HE1 PHE 70 HE2 PHE 70 -1.591 -2.740 6.948 567 HE2 PHE 70 HE1 PHE 70 0.701 -1.787 3.476 568 HZ PHE 70 HZ PHE 70 0.471 -1.850 5.920 569 H LYS 71 H LYS 71 -7.242 -2.620 2.022 570 HA LYS 71 HA LYS 71 -7.620 -4.699 0.249 571 HB2 LYS 71 2HB LYS 71 -9.254 -2.167 0.593 572 HB3 LYS 71 1HB LYS 71 -9.724 -3.375 -0.601 573 HG2 LYS 71 2HG LYS 71 -9.889 -5.061 1.211 574 HG3 LYS 71 1HG LYS 71 -9.501 -3.804 2.387 575 HD2 LYS 71 2HD LYS 71 -11.905 -3.768 0.530 576 HD3 LYS 71 1HD LYS 71 -11.938 -4.269 2.218 577 HE2 LYS 71 2HE LYS 71 -11.365 -2.031 2.956 578 HE3 LYS 71 1HE LYS 71 -11.131 -1.494 1.287 579 HZ1 LYS 71 3HZ LYS 71 -13.702 -2.520 2.344 580 HZ2 LYS 71 1HZ LYS 71 -13.428 -1.775 0.854 581 HZ3 LYS 71 2HZ LYS 71 -13.296 -0.880 2.278 582 H ASP 72 H ASP 72 -7.206 -1.313 -0.583 583 HA ASP 72 HA ASP 72 -6.037 -1.889 -3.146 584 HB2 ASP 72 2HB ASP 72 -7.743 -0.674 -4.486 585 HB3 ASP 72 1HB ASP 72 -8.409 -2.127 -3.745 586 H LEU 73 H LEU 73 -6.045 0.532 -4.297 587 HA LEU 73 HA LEU 73 -4.185 1.907 -2.607 588 HB2 LEU 73 2HB LEU 73 -3.904 1.673 -5.049 589 HB3 LEU 73 1HB LEU 73 -5.300 2.707 -5.300 590 HG LEU 73 HG LEU 73 -4.079 4.610 -4.252 591 HD11 LEU 73 1HD1 LEU 73 -1.659 4.396 -3.767 592 HD12 LEU 73 2HD1 LEU 73 -1.748 2.667 -4.078 593 HD13 LEU 73 3HD1 LEU 73 -2.625 3.366 -2.715 594 HD21 LEU 73 3HD2 LEU 73 -3.993 4.382 -6.682 595 HD22 LEU 73 1HD2 LEU 73 -2.625 3.272 -6.564 596 HD23 LEU 73 2HD2 LEU 73 -2.438 4.959 -6.092 597 H ASN 74 H ASN 74 -7.555 2.513 -3.515 598 HA ASN 74 HA ASN 74 -7.750 5.152 -2.388 599 HB2 ASN 74 2HB ASN 74 -9.978 3.087 -2.719 600 HB3 ASN 74 1HB ASN 74 -10.198 4.804 -2.403 601 HD21 ASN 74 1HD2 ASN 74 -9.240 2.436 -4.773 602 HD22 ASN 74 2HD2 ASN 74 -9.384 3.483 -6.149 603 H ALA 75 H ALA 75 -8.221 1.865 -1.127 604 HA ALA 75 HA ALA 75 -9.086 2.543 1.484 605 HB1 ALA 75 3HB ALA 75 -7.576 0.074 0.566 606 HB2 ALA 75 1HB ALA 75 -9.331 0.278 0.541 607 HB3 ALA 75 2HB ALA 75 -8.466 0.232 2.080 608 H ILE 76 H ILE 76 -5.832 1.874 0.197 609 HA ILE 76 HA ILE 76 -4.374 2.171 2.624 610 HB ILE 76 HB ILE 76 -3.462 2.237 -0.285 611 HG12 ILE 76 2HG1 ILE 76 -3.195 0.144 1.904 612 HG13 ILE 76 1HG1 ILE 76 -4.278 0.042 0.520 613 HG21 ILE 76 1HG2 ILE 76 -1.652 2.265 2.166 614 HG22 ILE 76 2HG2 ILE 76 -1.837 3.588 1.018 615 HG23 ILE 76 3HG2 ILE 76 -1.108 2.069 0.498 616 HD11 ILE 76 3HD1 ILE 76 -1.267 -0.077 0.494 617 HD12 ILE 76 1HD1 ILE 76 -2.290 -0.085 -0.953 618 HD13 ILE 76 2HD1 ILE 76 -2.401 -1.401 0.218 619 H SER 77 H SER 77 -5.184 4.499 0.031 620 HA SER 77 HA SER 77 -3.498 6.595 0.945 621 HB2 SER 77 2HB SER 77 -5.000 8.092 -0.419 622 HB3 SER 77 1HB SER 77 -4.430 6.686 -1.308 623 HG SER 77 HG SER 77 -6.370 5.896 -1.371 624 H ARG 78 H ARG 78 -6.930 5.870 1.598 625 HA ARG 78 HA ARG 78 -7.340 8.042 3.392 626 HB2 ARG 78 2HB ARG 78 -8.841 5.413 3.115 627 HB3 ARG 78 1HB ARG 78 -9.398 6.771 4.090 628 HG2 ARG 78 2HG ARG 78 -9.037 6.734 1.078 629 HG3 ARG 78 1HG ARG 78 -10.566 6.756 1.951 630 HD2 ARG 78 2HD ARG 78 -10.160 9.022 2.732 631 HD3 ARG 78 1HD ARG 78 -8.515 9.004 2.087 632 HE ARG 78 HE ARG 78 -10.746 8.657 0.213 633 HH11 ARG 78 1HH1 ARG 78 -8.250 10.816 1.476 634 HH12 ARG 78 2HH1 ARG 78 -8.375 11.921 0.146 635 HH21 ARG 78 1HH2 ARG 78 -10.821 10.056 -1.530 636 HH22 ARG 78 2HH2 ARG 78 -9.836 11.480 -1.560 637 H THR 79 H THR 79 -6.190 4.730 3.888 638 HA THR 79 HA THR 79 -6.300 4.753 6.741 639 HB THR 79 HB THR 79 -4.615 3.006 4.895 640 HG1 THR 79 HG1 THR 79 -6.435 1.996 4.587 641 HG21 THR 79 3HG2 THR 79 -5.320 2.606 7.829 642 HG22 THR 79 1HG2 THR 79 -3.705 2.967 7.208 643 HG23 THR 79 2HG2 THR 79 -4.488 1.435 6.808 644 H VAL 80 H VAL 80 -3.802 5.607 4.380 645 HA VAL 80 HA VAL 80 -1.708 5.794 6.366 646 HB VAL 80 HB VAL 80 -1.356 5.086 3.923 647 HG11 VAL 80 1HG1 VAL 80 -2.635 6.820 2.777 648 HG12 VAL 80 2HG1 VAL 80 -0.955 6.831 2.233 649 HG13 VAL 80 3HG1 VAL 80 -1.523 8.068 3.357 650 HG21 VAL 80 3HG2 VAL 80 0.428 7.293 5.001 651 HG22 VAL 80 1HG2 VAL 80 0.873 6.128 3.751 652 HG23 VAL 80 2HG2 VAL 80 0.530 5.576 5.391 653 H GLU 81 H GLU 81 -3.985 7.980 4.814 654 HA GLU 81 HA GLU 81 -2.908 10.421 5.873 655 HB2 GLU 81 2HB GLU 81 -5.687 9.745 4.847 656 HB3 GLU 81 1HB GLU 81 -5.194 11.363 5.326 657 HG2 GLU 81 2HG GLU 81 -3.629 11.513 3.506 658 HG3 GLU 81 1HG GLU 81 -3.849 9.807 3.104 659 H GLN 82 H GLN 82 -5.349 8.035 6.993 660 HA GLN 82 HA GLN 82 -6.386 9.648 9.117 661 HB2 GLN 82 2HB GLN 82 -7.718 7.830 9.790 662 HB3 GLN 82 1HB GLN 82 -7.491 7.519 8.079 663 HG2 GLN 82 2HG GLN 82 -5.742 5.843 8.627 664 HG3 GLN 82 1HG GLN 82 -6.001 6.142 10.341 665 HE21 GLN 82 1HE2 GLN 82 -6.502 3.948 10.664 666 HE22 GLN 82 2HE2 GLN 82 -8.011 3.268 10.161 667 H LEU 83 H LEU 83 -3.737 7.334 8.910 668 HA LEU 83 HA LEU 83 -3.127 7.131 11.670 669 HB2 LEU 83 2HB LEU 83 -1.392 6.716 9.209 670 HB3 LEU 83 1HB LEU 83 -0.858 6.339 10.842 671 HG LEU 83 HG LEU 83 -3.274 5.037 9.508 672 HD11 LEU 83 1HD1 LEU 83 -1.871 3.044 9.256 673 HD12 LEU 83 2HD1 LEU 83 -0.474 3.944 9.850 674 HD13 LEU 83 3HD1 LEU 83 -1.240 4.403 8.328 675 HD21 LEU 83 3HD2 LEU 83 -3.126 3.405 11.361 676 HD22 LEU 83 1HD2 LEU 83 -3.435 5.031 11.963 677 HD23 LEU 83 2HD2 LEU 83 -1.815 4.334 12.085 678 H LYS 84 H LYS 84 -2.009 9.363 9.163 679 HA LYS 84 HA LYS 84 -0.151 10.795 10.840 680 HB2 LYS 84 2HB LYS 84 -1.516 11.697 8.267 681 HB3 LYS 84 1HB LYS 84 -0.134 12.486 9.024 682 HG2 LYS 84 2HG LYS 84 1.228 10.466 8.635 683 HG3 LYS 84 1HG LYS 84 -0.151 9.689 7.857 684 HD2 LYS 84 2HD LYS 84 1.294 12.187 6.889 685 HD3 LYS 84 1HD LYS 84 1.398 10.581 6.174 686 HE2 LYS 84 2HE LYS 84 -0.960 10.683 5.514 687 HE3 LYS 84 1HE LYS 84 -1.145 12.245 6.313 688 HZ1 LYS 84 3HZ LYS 84 -0.878 12.574 3.983 689 HZ2 LYS 84 1HZ LYS 84 0.536 11.653 3.941 690 HZ3 LYS 84 2HZ LYS 84 0.518 13.133 4.744 691 H ALA 85 H ALA 85 -3.587 11.028 10.208 692 HA ALA 85 HA ALA 85 -3.989 13.676 11.278 693 HB1 ALA 85 3HB ALA 85 -6.382 13.146 11.014 694 HB2 ALA 85 1HB ALA 85 -5.978 11.460 10.679 695 HB3 ALA 85 2HB ALA 85 -5.475 12.728 9.559 696 H GLU 86 H GLU 86 -4.260 10.371 12.504 697 HA GLU 86 HA GLU 86 -5.296 11.098 15.106 698 HB2 GLU 86 2HB GLU 86 -4.129 8.463 14.078 699 HB3 GLU 86 1HB GLU 86 -4.928 8.672 15.634 700 HG2 GLU 86 2HG GLU 86 -7.040 9.030 14.644 701 HG3 GLU 86 1HG GLU 86 -6.347 9.306 13.048 702 H SER 87 H SER 87 -2.150 10.330 13.689 703 HA SER 87 HA SER 87 -0.658 10.573 16.158 704 HB2 SER 87 2HB SER 87 0.094 9.169 14.221 705 HB3 SER 87 1HB SER 87 0.390 10.639 13.299 706 HG SER 87 HG SER 87 1.817 11.190 15.181 707 H ALA 88 H ALA 88 -2.023 12.827 13.990 708 HA ALA 88 HA ALA 88 -0.267 14.971 13.935 709 HB1 ALA 88 3HB ALA 88 -2.315 14.879 12.622 710 HB2 ALA 88 1HB ALA 88 -2.214 16.394 13.520 711 HB3 ALA 88 2HB ALA 88 -3.296 15.104 14.068 712 H LEU 89 H LEU 89 0.351 16.467 15.338 713 HA LEU 89 HA LEU 89 -0.357 16.021 18.154 714 HB2 LEU 89 2HB LEU 89 1.995 16.744 18.680 715 HB3 LEU 89 1HB LEU 89 1.865 15.249 17.802 716 HG LEU 89 HG LEU 89 3.856 16.462 17.104 717 HD11 LEU 89 1HD1 LEU 89 2.800 15.130 15.347 718 HD12 LEU 89 2HD1 LEU 89 3.578 16.554 14.658 719 HD13 LEU 89 3HD1 LEU 89 1.823 16.519 14.857 720 HD21 LEU 89 3HD2 LEU 89 2.098 18.783 16.252 721 HD22 LEU 89 1HD2 LEU 89 3.841 18.658 16.004 722 HD23 LEU 89 2HD2 LEU 89 3.186 18.773 17.639 723 H GLU 90 H GLU 90 -0.079 18.454 15.704 724 HA GLU 90 HA GLU 90 -0.149 20.691 17.502 725 HB2 GLU 90 2HB GLU 90 -0.586 22.082 15.529 726 HB3 GLU 90 1HB GLU 90 0.803 21.043 15.318 727 HG2 GLU 90 2HG GLU 90 -1.913 20.430 14.115 728 HG3 GLU 90 1HG GLU 90 -0.672 21.371 13.302 729 H281 4EM 101 2H28 PYA 142 3.125 -11.761 9.015 730 H283 4EM 101 3H28 PYA 142 2.529 -13.077 10.027 731 H303 4EM 101 3H30 PYA 142 -0.005 -13.289 10.380 732 H301 4EM 101 1H30 PYA 142 -0.278 -13.140 8.633 733 H302 4EM 101 2H30 PYA 142 -1.080 -12.033 9.756 734 H312 4EM 101 2H31 PYA 142 0.654 -11.208 7.391 735 H313 4EM 101 3H31 PYA 142 -0.132 -10.088 8.497 736 H311 4EM 101 1H31 PYA 142 1.611 -9.967 8.218 737 H32 4EM 101 H32 PYA 142 1.299 -11.486 11.621 738 H33 4EM 101 H33 PYA 142 2.250 -9.308 11.440 739 H36 4EM 101 H36 PYA 142 -1.060 -11.534 11.702 740 H373 4EM 101 3H37 PYA 142 -2.476 -9.447 12.587 741 H372 4EM 101 2H37 PYA 142 -2.697 -9.312 10.834 742 H382 4EM 101 2H38 PYA 142 -3.545 -11.513 12.723 743 H383 4EM 101 3H38 PYA 142 -3.216 -11.935 11.042 744 H41 4EM 101 H41 PYA 142 -4.167 -10.836 9.499 745 H423 4EM 101 3H42 PYA 142 -5.884 -9.163 8.796 746 H422 4EM 101 2H42 PYA 142 -6.994 -10.162 9.740 747 H433 4EM 101 3H43 PYA 142 -6.989 -10.772 7.297 748 H432 4EM 101 2H43 PYA 142 -6.465 -12.108 8.328 749 H44 4EM 101 H44 PYA 142 -4.596 -12.074 7.341 750 H49 4EM 101 H49 PYA 142 -2.510 -8.428 5.827 751 H51 4EM 101 H51 PYA 142 -0.423 -9.728 4.916 752 H50 4EM 101 H50 PYA 142 -0.935 -12.280 5.050 753 H48 4EM 101 H48 PYA 142 -3.296 -12.506 6.033 Start of MODEL 14 1 H1 MET 1 1H MET 1 1.207 16.317 1.375 2 H2 MET 1 2H MET 1 2.473 16.810 2.376 3 H3 MET 1 3H MET 1 2.677 15.500 1.336 4 HA MET 1 HA MET 1 2.262 18.317 0.534 5 HB2 MET 1 2HB MET 1 4.530 17.808 1.436 6 HB3 MET 1 1HB MET 1 4.699 16.507 0.268 7 HG2 MET 1 2HG MET 1 4.531 18.216 -1.567 8 HG3 MET 1 1HG MET 1 4.538 19.473 -0.325 9 HE1 MET 1 3HE MET 1 8.121 19.710 -1.977 10 HE2 MET 1 1HE MET 1 6.616 20.569 -1.647 11 HE3 MET 1 2HE MET 1 6.638 19.239 -2.807 12 H ASP 2 H ASP 2 3.008 15.015 -0.521 13 HA ASP 2 HA ASP 2 1.599 15.466 -3.085 14 HB2 ASP 2 2HB ASP 2 4.374 14.252 -2.685 15 HB3 ASP 2 1HB ASP 2 3.420 13.944 -4.130 16 H GLY 3 H GLY 3 -0.182 14.346 -2.330 17 HA2 GLY 3 2HA GLY 3 -0.043 11.747 -1.082 18 HA3 GLY 3 1HA GLY 3 -1.483 12.592 -1.624 19 H GLU 4 H GLU 4 -1.335 12.889 -4.213 20 HA GLU 4 HA GLU 4 -1.919 10.277 -5.156 21 HB2 GLU 4 2HB GLU 4 -1.685 12.873 -6.713 22 HB3 GLU 4 1HB GLU 4 -2.383 11.385 -7.343 23 HG2 GLU 4 2HG GLU 4 -3.760 11.868 -4.912 24 HG3 GLU 4 1HG GLU 4 -3.603 13.445 -5.668 25 H GLU 5 H GLU 5 0.933 12.274 -5.454 26 HA GLU 5 HA GLU 5 2.282 10.828 -7.489 27 HB2 GLU 5 2HB GLU 5 3.419 12.457 -5.194 28 HB3 GLU 5 1HB GLU 5 4.338 11.911 -6.594 29 HG2 GLU 5 2HG GLU 5 2.003 13.843 -6.634 30 HG3 GLU 5 1HG GLU 5 3.704 14.272 -6.783 31 H VAL 6 H VAL 6 2.300 10.527 -3.900 32 HA VAL 6 HA VAL 6 4.175 8.291 -4.001 33 HB VAL 6 HB VAL 6 3.954 8.127 -1.564 34 HG11 VAL 6 1HG1 VAL 6 4.253 11.017 -2.464 35 HG12 VAL 6 2HG1 VAL 6 5.524 9.792 -2.460 36 HG13 VAL 6 3HG1 VAL 6 4.832 10.348 -0.935 37 HG21 VAL 6 3HG2 VAL 6 1.810 10.283 -1.765 38 HG22 VAL 6 1HG2 VAL 6 2.499 9.662 -0.261 39 HG23 VAL 6 2HG2 VAL 6 1.549 8.602 -1.303 40 H LYS 7 H LYS 7 0.709 8.688 -3.979 41 HA LYS 7 HA LYS 7 -0.030 6.094 -3.102 42 HB2 LYS 7 2HB LYS 7 -1.498 8.120 -4.817 43 HB3 LYS 7 1HB LYS 7 -2.188 6.541 -4.467 44 HG2 LYS 7 2HG LYS 7 -1.949 7.141 -1.989 45 HG3 LYS 7 1HG LYS 7 -1.619 8.791 -2.527 46 HD2 LYS 7 2HD LYS 7 -4.141 7.164 -2.995 47 HD3 LYS 7 1HD LYS 7 -3.975 8.618 -2.015 48 HE2 LYS 7 2HE LYS 7 -3.537 9.940 -4.051 49 HE3 LYS 7 1HE LYS 7 -3.689 8.485 -5.035 50 HZ1 LYS 7 3HZ LYS 7 -5.718 9.725 -5.087 51 HZ2 LYS 7 1HZ LYS 7 -5.834 9.729 -3.401 52 HZ3 LYS 7 2HZ LYS 7 -5.986 8.281 -4.251 53 H GLU 8 H GLU 8 0.420 7.434 -6.412 54 HA GLU 8 HA GLU 8 0.025 4.945 -7.703 55 HB2 GLU 8 2HB GLU 8 0.924 5.879 -9.700 56 HB3 GLU 8 1HB GLU 8 -0.011 7.146 -8.921 57 HG2 GLU 8 2HG GLU 8 1.892 8.389 -8.356 58 HG3 GLU 8 1HG GLU 8 2.976 7.007 -8.524 59 H LYS 9 H LYS 9 2.890 6.458 -6.214 60 HA LYS 9 HA LYS 9 4.779 4.571 -7.153 61 HB2 LYS 9 2HB LYS 9 4.907 6.282 -4.653 62 HB3 LYS 9 1HB LYS 9 6.235 5.303 -5.261 63 HG2 LYS 9 2HG LYS 9 6.006 6.714 -7.434 64 HG3 LYS 9 1HG LYS 9 5.060 7.813 -6.433 65 HD2 LYS 9 2HD LYS 9 7.962 7.022 -6.093 66 HD3 LYS 9 1HD LYS 9 7.311 8.621 -6.431 67 HE2 LYS 9 2HE LYS 9 6.363 8.743 -4.169 68 HE3 LYS 9 1HE LYS 9 6.919 7.096 -3.826 69 HZ1 LYS 9 3HZ LYS 9 8.747 9.310 -4.576 70 HZ2 LYS 9 1HZ LYS 9 9.163 7.782 -3.987 71 HZ3 LYS 9 2HZ LYS 9 8.387 8.882 -2.976 72 H ILE 10 H ILE 10 2.478 4.398 -4.484 73 HA ILE 10 HA ILE 10 3.501 2.113 -3.163 74 HB ILE 10 HB ILE 10 0.555 2.699 -3.691 75 HG12 ILE 10 2HG1 ILE 10 1.484 4.669 -2.630 76 HG13 ILE 10 1HG1 ILE 10 0.525 3.807 -1.433 77 HG21 ILE 10 1HG2 ILE 10 1.820 1.015 -1.510 78 HG22 ILE 10 2HG2 ILE 10 0.881 0.423 -2.881 79 HG23 ILE 10 3HG2 ILE 10 0.101 1.398 -1.636 80 HD11 ILE 10 3HD1 ILE 10 3.537 3.853 -1.643 81 HD12 ILE 10 1HD1 ILE 10 2.615 2.915 -0.455 82 HD13 ILE 10 2HD1 ILE 10 2.537 4.676 -0.448 83 H ARG 11 H ARG 11 1.485 2.520 -6.043 84 HA ARG 11 HA ARG 11 1.045 -0.267 -6.535 85 HB2 ARG 11 2HB ARG 11 0.780 1.986 -8.564 86 HB3 ARG 11 1HB ARG 11 0.041 0.398 -8.643 87 HG2 ARG 11 2HG ARG 11 -0.753 2.794 -7.021 88 HG3 ARG 11 1HG ARG 11 -1.736 1.756 -8.049 89 HD2 ARG 11 2HD ARG 11 -0.843 1.318 -5.202 90 HD3 ARG 11 1HD ARG 11 -2.461 1.256 -5.888 91 HE ARG 11 HE ARG 11 -1.498 -0.835 -7.074 92 HH11 ARG 11 1HH1 ARG 11 -1.030 0.118 -3.733 93 HH12 ARG 11 2HH1 ARG 11 -0.770 -1.501 -3.181 94 HH21 ARG 11 1HH2 ARG 11 -0.895 -2.927 -6.372 95 HH22 ARG 11 2HH2 ARG 11 -0.694 -3.226 -4.677 96 H ARG 12 H ARG 12 3.188 2.158 -7.980 97 HA ARG 12 HA ARG 12 4.412 0.595 -9.977 98 HB2 ARG 12 2HB ARG 12 5.090 3.205 -8.602 99 HB3 ARG 12 1HB ARG 12 6.333 2.438 -9.572 100 HG2 ARG 12 2HG ARG 12 5.131 4.169 -10.840 101 HG3 ARG 12 1HG ARG 12 4.955 2.575 -11.568 102 HD2 ARG 12 2HD ARG 12 2.689 2.382 -10.739 103 HD3 ARG 12 1HD ARG 12 2.872 3.847 -9.785 104 HE ARG 12 HE ARG 12 2.906 5.130 -11.815 105 HH11 ARG 12 1HH1 ARG 12 1.800 1.851 -12.183 106 HH12 ARG 12 2HH1 ARG 12 0.934 2.177 -13.640 107 HH21 ARG 12 1HH2 ARG 12 1.724 5.573 -13.676 108 HH22 ARG 12 2HH2 ARG 12 0.882 4.298 -14.492 109 H TYR 13 H TYR 13 5.254 1.223 -6.611 110 HA TYR 13 HA TYR 13 7.775 -0.066 -6.522 111 HB2 TYR 13 2HB TYR 13 7.151 1.474 -4.762 112 HB3 TYR 13 1HB TYR 13 5.718 0.528 -4.353 113 HD1 TYR 13 HD1 TYR 13 9.468 0.009 -4.626 114 HD2 TYR 13 HD2 TYR 13 5.896 -0.769 -2.400 115 HE1 TYR 13 HE1 TYR 13 10.775 -1.206 -2.941 116 HE2 TYR 13 HE2 TYR 13 7.215 -1.965 -0.721 117 HH TYR 13 HH TYR 13 9.556 -3.269 -0.821 118 H ILE 14 H ILE 14 4.512 -1.250 -5.681 119 HA ILE 14 HA ILE 14 5.230 -3.874 -4.943 120 HB ILE 14 HB ILE 14 2.587 -2.737 -5.957 121 HG12 ILE 14 2HG1 ILE 14 3.584 -3.445 -3.155 122 HG13 ILE 14 1HG1 ILE 14 3.457 -1.816 -3.798 123 HG21 ILE 14 1HG2 ILE 14 3.059 -5.487 -4.725 124 HG22 ILE 14 2HG2 ILE 14 2.566 -5.163 -6.387 125 HG23 ILE 14 3HG2 ILE 14 1.476 -4.775 -5.059 126 HD11 ILE 14 3HD1 ILE 14 1.669 -2.291 -2.280 127 HD12 ILE 14 1HD1 ILE 14 1.191 -3.700 -3.220 128 HD13 ILE 14 2HD1 ILE 14 1.027 -2.084 -3.907 129 H MET 15 H MET 15 4.258 -2.556 -8.076 130 HA MET 15 HA MET 15 4.298 -4.930 -9.605 131 HB2 MET 15 2HB MET 15 4.716 -1.983 -10.305 132 HB3 MET 15 1HB MET 15 4.709 -3.229 -11.539 133 HG2 MET 15 2HG MET 15 2.366 -3.021 -9.688 134 HG3 MET 15 1HG MET 15 2.551 -1.856 -10.987 135 HE1 MET 15 3HE MET 15 1.384 -6.269 -11.489 136 HE2 MET 15 1HE MET 15 1.427 -5.362 -9.977 137 HE3 MET 15 2HE MET 15 2.932 -5.932 -10.707 138 H GLU 16 H GLU 16 6.907 -2.420 -9.294 139 HA GLU 16 HA GLU 16 8.628 -3.834 -11.101 140 HB2 GLU 16 2HB GLU 16 9.283 -1.479 -9.293 141 HB3 GLU 16 1HB GLU 16 10.261 -2.051 -10.637 142 HG2 GLU 16 2HG GLU 16 7.603 -0.623 -10.720 143 HG3 GLU 16 1HG GLU 16 9.134 -0.152 -11.448 144 H ASP 17 H ASP 17 8.449 -3.535 -7.622 145 HA ASP 17 HA ASP 17 11.025 -4.883 -7.213 146 HB2 ASP 17 2HB ASP 17 10.452 -2.780 -5.970 147 HB3 ASP 17 1HB ASP 17 9.100 -3.611 -5.213 148 H LEU 18 H LEU 18 7.639 -5.200 -6.044 149 HA LEU 18 HA LEU 18 8.177 -7.648 -4.629 150 HB2 LEU 18 2HB LEU 18 5.602 -6.137 -5.149 151 HB3 LEU 18 1HB LEU 18 5.649 -7.626 -4.238 152 HG LEU 18 HG LEU 18 7.024 -6.553 -2.487 153 HD11 LEU 18 1HD1 LEU 18 7.448 -4.138 -2.449 154 HD12 LEU 18 2HD1 LEU 18 6.765 -3.978 -4.068 155 HD13 LEU 18 3HD1 LEU 18 8.253 -4.889 -3.825 156 HD21 LEU 18 3HD2 LEU 18 4.554 -4.933 -3.158 157 HD22 LEU 18 1HD2 LEU 18 5.327 -5.039 -1.576 158 HD23 LEU 18 2HD2 LEU 18 4.576 -6.464 -2.287 159 H ILE 19 H ILE 19 6.315 -6.904 -7.611 160 HA ILE 19 HA ILE 19 5.754 -9.685 -8.214 161 HB ILE 19 HB ILE 19 5.324 -7.114 -9.785 162 HG12 ILE 19 2HG1 ILE 19 2.917 -7.780 -9.736 163 HG13 ILE 19 1HG1 ILE 19 3.339 -9.206 -8.841 164 HG21 ILE 19 1HG2 ILE 19 4.297 -8.397 -11.649 165 HG22 ILE 19 2HG2 ILE 19 4.818 -9.904 -10.889 166 HG23 ILE 19 3HG2 ILE 19 6.018 -8.751 -11.477 167 HD11 ILE 19 3HD1 ILE 19 2.341 -7.558 -7.427 168 HD12 ILE 19 1HD1 ILE 19 3.577 -6.381 -7.878 169 HD13 ILE 19 2HD1 ILE 19 4.019 -7.824 -6.954 170 H GLY 20 H GLY 20 7.739 -7.165 -9.749 171 HA2 GLY 20 2HA GLY 20 10.170 -8.079 -10.091 172 HA3 GLY 20 1HA GLY 20 9.344 -9.179 -11.190 173 HA PRO 21 HA PRO 21 10.682 -5.148 -13.356 174 HB2 PRO 21 2HB PRO 21 12.188 -6.348 -15.341 175 HB3 PRO 21 1HB PRO 21 12.862 -5.917 -13.758 176 HG2 PRO 21 2HG PRO 21 11.846 -8.584 -14.700 177 HG3 PRO 21 1HG PRO 21 13.357 -8.193 -13.838 178 HD2 PRO 21 2HD PRO 21 11.232 -9.148 -12.494 179 HD3 PRO 21 1HD PRO 21 12.279 -7.897 -11.782 180 H SER 22 H SER 22 9.584 -8.273 -14.595 181 HA SER 22 HA SER 22 8.122 -7.089 -16.848 182 HB2 SER 22 2HB SER 22 8.339 -10.015 -15.992 183 HB3 SER 22 1HB SER 22 7.788 -9.397 -17.554 184 HG SER 22 HG SER 22 10.191 -8.384 -17.109 185 H ALA 23 H ALA 23 7.025 -5.903 -14.941 186 HA ALA 23 HA ALA 23 5.345 -7.240 -13.103 187 HB1 ALA 23 3HB ALA 23 4.523 -4.979 -12.576 188 HB2 ALA 23 1HB ALA 23 5.320 -4.350 -14.021 189 HB3 ALA 23 2HB ALA 23 6.282 -5.020 -12.699 190 H LYS 24 H LYS 24 3.176 -7.637 -13.097 191 HA LYS 24 HA LYS 24 1.708 -7.608 -15.619 192 HB2 LYS 24 2HB LYS 24 1.053 -8.758 -12.878 193 HB3 LYS 24 1HB LYS 24 -0.065 -8.823 -14.234 194 HG2 LYS 24 2HG LYS 24 2.700 -10.077 -14.205 195 HG3 LYS 24 1HG LYS 24 1.191 -10.937 -13.889 196 HD2 LYS 24 2HD LYS 24 0.406 -10.332 -16.203 197 HD3 LYS 24 1HD LYS 24 1.973 -9.577 -16.509 198 HE2 LYS 24 2HE LYS 24 3.095 -11.750 -16.226 199 HE3 LYS 24 1HE LYS 24 1.553 -12.518 -15.841 200 HZ1 LYS 24 3HZ LYS 24 2.366 -11.324 -18.430 201 HZ2 LYS 24 1HZ LYS 24 0.798 -11.847 -18.088 202 HZ3 LYS 24 2HZ LYS 24 2.070 -12.953 -18.102 203 H GLU 25 H GLU 25 1.935 -5.203 -15.453 204 HA GLU 25 HA GLU 25 0.324 -3.500 -13.946 205 HB2 GLU 25 2HB GLU 25 0.243 -2.158 -16.308 206 HB3 GLU 25 1HB GLU 25 1.667 -2.230 -15.310 207 HG2 GLU 25 2HG GLU 25 2.185 -2.549 -17.696 208 HG3 GLU 25 1HG GLU 25 2.671 -3.915 -16.699 209 H ASP 26 H ASP 26 -0.546 -5.717 -16.438 210 HA ASP 26 HA ASP 26 -3.026 -4.895 -17.298 211 HB2 ASP 26 2HB ASP 26 -1.832 -6.788 -18.304 212 HB3 ASP 26 1HB ASP 26 -1.944 -7.700 -16.801 213 H GLU 27 H GLU 27 -2.154 -6.530 -14.319 214 HA GLU 27 HA GLU 27 -4.968 -6.933 -13.509 215 HB2 GLU 27 2HB GLU 27 -2.420 -7.915 -12.162 216 HB3 GLU 27 1HB GLU 27 -4.062 -8.487 -11.876 217 HG2 GLU 27 2HG GLU 27 -4.147 -9.342 -14.199 218 HG3 GLU 27 1HG GLU 27 -2.485 -8.809 -14.443 219 H LEU 28 H LEU 28 -2.307 -4.873 -12.968 220 HA LEU 28 HA LEU 28 -2.928 -3.982 -10.298 221 HB2 LEU 28 2HB LEU 28 -0.641 -4.123 -11.199 222 HB3 LEU 28 1HB LEU 28 -1.010 -2.924 -12.411 223 HG LEU 28 HG LEU 28 0.409 -2.168 -10.428 224 HD11 LEU 28 1HD1 LEU 28 -2.085 -0.529 -10.911 225 HD12 LEU 28 2HD1 LEU 28 -0.617 -0.496 -11.887 226 HD13 LEU 28 3HD1 LEU 28 -0.575 0.057 -10.216 227 HD21 LEU 28 3HD2 LEU 28 -2.203 -2.293 -8.900 228 HD22 LEU 28 1HD2 LEU 28 -0.688 -1.595 -8.324 229 HD23 LEU 28 2HD2 LEU 28 -0.795 -3.326 -8.634 230 H ASP 29 H ASP 29 -4.229 -2.384 -9.740 231 HA ASP 29 HA ASP 29 -4.516 0.073 -11.224 232 HB2 ASP 29 2HB ASP 29 -6.327 -1.496 -12.188 233 HB3 ASP 29 1HB ASP 29 -7.018 -1.540 -10.576 234 H ASP 30 H ASP 30 -5.948 1.581 -9.838 235 HA ASP 30 HA ASP 30 -4.990 1.362 -7.118 236 HB2 ASP 30 2HB ASP 30 -5.819 3.681 -6.852 237 HB3 ASP 30 1HB ASP 30 -4.739 3.513 -8.228 238 H GLN 31 H GLN 31 -8.078 1.362 -8.775 239 HA GLN 31 HA GLN 31 -9.658 1.067 -6.337 240 HB2 GLN 31 2HB GLN 31 -10.413 1.195 -9.296 241 HB3 GLN 31 1HB GLN 31 -11.582 1.120 -7.978 242 HG2 GLN 31 2HG GLN 31 -11.129 3.288 -7.260 243 HG3 GLN 31 1HG GLN 31 -9.526 3.313 -7.987 244 HE21 GLN 31 1HE2 GLN 31 -9.814 5.230 -9.054 245 HE22 GLN 31 2HE2 GLN 31 -10.893 5.435 -10.391 246 H THR 32 H THR 32 -8.214 -1.019 -8.757 247 HA THR 32 HA THR 32 -9.836 -3.346 -8.345 248 HB THR 32 HB THR 32 -6.937 -3.076 -9.243 249 HG1 THR 32 HG1 THR 32 -8.209 -3.948 -11.214 250 HG21 THR 32 3HG2 THR 32 -7.042 -5.425 -10.026 251 HG22 THR 32 1HG2 THR 32 -8.618 -5.622 -9.257 252 HG23 THR 32 2HG2 THR 32 -7.180 -5.345 -8.269 253 HA PRO 33 HA PRO 33 -8.308 -4.220 -4.143 254 HB2 PRO 33 2HB PRO 33 -9.605 -6.625 -3.779 255 HB3 PRO 33 1HB PRO 33 -10.432 -5.056 -3.651 256 HG2 PRO 33 2HG PRO 33 -10.398 -6.986 -5.936 257 HG3 PRO 33 1HG PRO 33 -11.754 -6.049 -5.276 258 HD2 PRO 33 2HD PRO 33 -10.406 -5.298 -7.525 259 HD3 PRO 33 1HD PRO 33 -11.170 -4.123 -6.434 260 H LEU 34 H LEU 34 -6.176 -4.689 -4.218 261 HA LEU 34 HA LEU 34 -5.037 -6.599 -6.070 262 HB2 LEU 34 2HB LEU 34 -3.687 -5.020 -3.832 263 HB3 LEU 34 1HB LEU 34 -2.866 -5.948 -5.070 264 HG LEU 34 HG LEU 34 -2.615 -3.775 -5.831 265 HD11 LEU 34 1HD1 LEU 34 -5.115 -4.647 -7.304 266 HD12 LEU 34 2HD1 LEU 34 -3.454 -5.108 -7.687 267 HD13 LEU 34 3HD1 LEU 34 -3.956 -3.430 -7.849 268 HD21 LEU 34 3HD2 LEU 34 -4.274 -2.003 -5.868 269 HD22 LEU 34 1HD2 LEU 34 -3.989 -2.611 -4.239 270 HD23 LEU 34 2HD2 LEU 34 -5.451 -3.081 -5.111 271 H LEU 35 H LEU 35 -5.820 -6.406 -2.716 272 HA LEU 35 HA LEU 35 -4.317 -8.486 -1.628 273 HB2 LEU 35 2HB LEU 35 -5.508 -6.543 -0.505 274 HB3 LEU 35 1HB LEU 35 -7.012 -7.422 -0.733 275 HG LEU 35 HG LEU 35 -5.969 -9.300 0.631 276 HD11 LEU 35 1HD1 LEU 35 -3.613 -8.693 0.447 277 HD12 LEU 35 2HD1 LEU 35 -4.098 -8.678 2.143 278 HD13 LEU 35 3HD1 LEU 35 -3.919 -7.155 1.264 279 HD21 LEU 35 3HD2 LEU 35 -6.468 -8.197 2.774 280 HD22 LEU 35 1HD2 LEU 35 -7.669 -7.811 1.542 281 HD23 LEU 35 2HD2 LEU 35 -6.431 -6.625 1.968 282 H GLU 36 H GLU 36 -7.636 -8.364 -2.868 283 HA GLU 36 HA GLU 36 -8.337 -11.068 -2.283 284 HB2 GLU 36 2HB GLU 36 -9.616 -9.311 -4.408 285 HB3 GLU 36 1HB GLU 36 -10.348 -10.652 -3.539 286 HG2 GLU 36 2HG GLU 36 -9.712 -7.886 -2.505 287 HG3 GLU 36 1HG GLU 36 -11.286 -8.653 -2.669 288 H TRP 37 H TRP 37 -6.889 -9.391 -4.972 289 HA TRP 37 HA TRP 37 -7.124 -11.541 -6.899 290 HB2 TRP 37 2HB TRP 37 -5.800 -8.810 -6.888 291 HB3 TRP 37 1HB TRP 37 -5.471 -9.949 -8.192 292 HD1 TRP 37 HD1 TRP 37 -8.924 -9.129 -6.539 293 HE1 TRP 37 HE1 TRP 37 -10.541 -8.441 -8.407 294 HE3 TRP 37 HE3 TRP 37 -5.672 -9.243 -10.494 295 HZ2 TRP 37 HZ2 TRP 37 -10.455 -8.010 -11.200 296 HZ3 TRP 37 HZ3 TRP 37 -6.522 -8.679 -12.737 297 HH2 TRP 37 HH2 TRP 37 -8.868 -8.075 -13.078 298 H GLY 38 H GLY 38 -5.072 -11.094 -4.263 299 HA2 GLY 38 2HA GLY 38 -3.320 -12.411 -3.530 300 HA3 GLY 38 1HA GLY 38 -3.375 -13.314 -5.035 301 H ILE 39 H ILE 39 -3.159 -9.913 -5.270 302 HA ILE 39 HA ILE 39 -0.404 -9.883 -6.208 303 HB ILE 39 HB ILE 39 -2.449 -7.619 -5.865 304 HG12 ILE 39 2HG1 ILE 39 -1.692 -9.170 -8.384 305 HG13 ILE 39 1HG1 ILE 39 -3.198 -9.353 -7.507 306 HG21 ILE 39 1HG2 ILE 39 -0.146 -6.735 -5.882 307 HG22 ILE 39 2HG2 ILE 39 -1.017 -6.257 -7.338 308 HG23 ILE 39 3HG2 ILE 39 0.171 -7.562 -7.411 309 HD11 ILE 39 3HD1 ILE 39 -3.792 -7.043 -8.107 310 HD12 ILE 39 1HD1 ILE 39 -3.511 -8.068 -9.516 311 HD13 ILE 39 2HD1 ILE 39 -2.282 -6.911 -9.013 312 H LEU 40 H LEU 40 -2.294 -9.245 -3.371 313 HA LEU 40 HA LEU 40 0.132 -8.690 -1.765 314 HB2 LEU 40 2HB LEU 40 -2.699 -7.703 -1.221 315 HB3 LEU 40 1HB LEU 40 -1.283 -7.387 -0.227 316 HG LEU 40 HG LEU 40 -1.658 -6.371 -3.072 317 HD11 LEU 40 1HD1 LEU 40 -2.018 -4.156 -2.068 318 HD12 LEU 40 2HD1 LEU 40 -1.993 -4.872 -0.453 319 HD13 LEU 40 3HD1 LEU 40 -3.273 -5.303 -1.599 320 HD21 LEU 40 3HD2 LEU 40 0.482 -5.733 -1.015 321 HD22 LEU 40 1HD2 LEU 40 0.306 -4.971 -2.599 322 HD23 LEU 40 2HD2 LEU 40 0.693 -6.686 -2.490 323 H ASN 41 H ASN 41 0.404 -10.079 -0.011 324 HA ASN 41 HA ASN 41 -1.925 -11.512 1.071 325 HB2 ASN 41 2HB ASN 41 -0.781 -13.106 -0.531 326 HB3 ASN 41 1HB ASN 41 0.669 -12.999 0.463 327 HD21 ASN 41 1HD2 ASN 41 0.468 -15.327 0.742 328 HD22 ASN 41 2HD2 ASN 41 -0.628 -15.970 1.908 329 H SER 42 H SER 42 1.665 -11.297 1.601 330 HA SER 42 HA SER 42 1.305 -10.074 4.163 331 HB2 SER 42 3HB SER 42 0.684 -12.391 4.832 332 HB3 SER 42 2HB SER 42 2.228 -12.979 4.193 333 H MET 43 H MET 43 3.644 -12.277 2.619 334 HA MET 43 HA MET 43 6.010 -11.304 3.697 335 HB2 MET 43 2HB MET 43 6.143 -12.219 0.808 336 HB3 MET 43 1HB MET 43 7.178 -12.644 2.165 337 HG2 MET 43 2HG MET 43 6.017 -14.609 1.573 338 HG3 MET 43 1HG MET 43 5.227 -14.016 3.045 339 HE1 MET 43 3HE MET 43 2.892 -14.950 2.945 340 HE2 MET 43 1HE MET 43 3.471 -16.042 1.681 341 HE3 MET 43 2HE MET 43 1.960 -15.159 1.462 342 H ASN 44 H ASN 44 4.419 -10.448 0.734 343 HA ASN 44 HA ASN 44 6.256 -8.377 -0.026 344 HB2 ASN 44 2HB ASN 44 4.742 -8.074 -1.920 345 HB3 ASN 44 1HB ASN 44 5.102 -9.773 -1.679 346 HD21 ASN 44 1HD2 ASN 44 2.868 -8.460 -3.057 347 HD22 ASN 44 2HD2 ASN 44 1.445 -9.109 -2.345 348 H ILE 45 H ILE 45 3.198 -8.482 1.704 349 HA ILE 45 HA ILE 45 2.475 -5.747 1.654 350 HB ILE 45 HB ILE 45 1.777 -8.152 3.267 351 HG12 ILE 45 2HG1 ILE 45 0.052 -5.928 2.111 352 HG13 ILE 45 1HG1 ILE 45 0.448 -7.438 1.300 353 HG21 ILE 45 1HG2 ILE 45 2.315 -6.668 5.134 354 HG22 ILE 45 2HG2 ILE 45 0.577 -7.021 5.065 355 HG23 ILE 45 3HG2 ILE 45 1.177 -5.459 4.505 356 HD11 ILE 45 3HD1 ILE 45 -1.163 -7.163 3.838 357 HD12 ILE 45 1HD1 ILE 45 -0.782 -8.678 3.000 358 HD13 ILE 45 2HD1 ILE 45 -1.792 -7.462 2.213 359 H VAL 46 H VAL 46 4.820 -7.508 3.558 360 HA VAL 46 HA VAL 46 5.309 -5.692 5.668 361 HB VAL 46 HB VAL 46 7.261 -7.652 4.404 362 HG11 VAL 46 1HG1 VAL 46 7.226 -6.426 7.178 363 HG12 VAL 46 2HG1 VAL 46 8.386 -6.051 5.900 364 HG13 VAL 46 3HG1 VAL 46 8.365 -7.659 6.631 365 HG21 VAL 46 3HG2 VAL 46 5.305 -8.108 6.681 366 HG22 VAL 46 1HG2 VAL 46 6.537 -9.257 6.153 367 HG23 VAL 46 2HG2 VAL 46 5.214 -8.821 5.072 368 H LYS 47 H LYS 47 6.337 -5.729 2.359 369 HA LYS 47 HA LYS 47 8.523 -3.922 2.424 370 HB2 LYS 47 2HB LYS 47 6.587 -4.715 0.213 371 HB3 LYS 47 1HB LYS 47 7.868 -3.545 -0.054 372 HG2 LYS 47 2HG LYS 47 8.497 -5.749 -0.877 373 HG3 LYS 47 1HG LYS 47 9.564 -5.210 0.418 374 HD2 LYS 47 2HD LYS 47 8.421 -6.679 2.011 375 HD3 LYS 47 1HD LYS 47 7.265 -7.152 0.770 376 HE2 LYS 47 2HE LYS 47 8.989 -8.878 1.133 377 HE3 LYS 47 1HE LYS 47 9.034 -8.244 -0.511 378 HZ1 LYS 47 3HZ LYS 47 10.899 -6.885 0.087 379 HZ2 LYS 47 1HZ LYS 47 11.226 -8.498 0.464 380 HZ3 LYS 47 2HZ LYS 47 10.826 -7.406 1.689 381 H LEU 48 H LEU 48 5.024 -3.509 2.171 382 HA LEU 48 HA LEU 48 5.048 -0.686 1.655 383 HB2 LEU 48 2HB LEU 48 2.793 -2.520 2.568 384 HB3 LEU 48 1HB LEU 48 2.576 -0.805 2.256 385 HG LEU 48 HG LEU 48 1.793 -1.935 0.313 386 HD11 LEU 48 1HD1 LEU 48 3.235 -1.077 -1.490 387 HD12 LEU 48 2HD1 LEU 48 4.571 -0.872 -0.359 388 HD13 LEU 48 3HD1 LEU 48 3.106 0.099 -0.183 389 HD21 LEU 48 3HD2 LEU 48 4.404 -3.483 0.161 390 HD22 LEU 48 1HD2 LEU 48 3.076 -3.567 -1.000 391 HD23 LEU 48 2HD2 LEU 48 2.841 -4.140 0.649 392 H MET 49 H MET 49 5.004 -2.646 4.569 393 HA MET 49 HA MET 49 4.114 -0.767 6.466 394 HB2 MET 49 2HB MET 49 6.202 -2.951 6.901 395 HB3 MET 49 1HB MET 49 5.306 -2.129 8.169 396 HG2 MET 49 2HG MET 49 3.227 -3.166 7.407 397 HG3 MET 49 1HG MET 49 4.088 -3.940 6.069 398 HE1 MET 49 3HE MET 49 3.650 -6.504 6.596 399 HE2 MET 49 1HE MET 49 2.455 -5.947 7.759 400 HE3 MET 49 2HE MET 49 3.637 -7.163 8.233 401 H VAL 50 H VAL 50 7.394 -1.490 5.289 402 HA VAL 50 HA VAL 50 8.607 0.721 6.750 403 HB VAL 50 HB VAL 50 9.843 -1.400 6.503 404 HG11 VAL 50 1HG1 VAL 50 10.858 -2.089 4.352 405 HG12 VAL 50 2HG1 VAL 50 9.970 -0.808 3.519 406 HG13 VAL 50 3HG1 VAL 50 9.093 -2.137 4.287 407 HG21 VAL 50 3HG2 VAL 50 11.144 0.658 6.864 408 HG22 VAL 50 1HG2 VAL 50 11.254 0.917 5.120 409 HG23 VAL 50 2HG2 VAL 50 12.049 -0.474 5.859 410 H TYR 51 H TYR 51 7.374 0.167 3.521 411 HA TYR 51 HA TYR 51 8.819 2.127 2.061 412 HB2 TYR 51 2HB TYR 51 7.329 0.312 1.047 413 HB3 TYR 51 1HB TYR 51 5.942 1.276 1.498 414 HD1 TYR 51 HD1 TYR 51 9.203 1.695 -0.341 415 HD2 TYR 51 HD2 TYR 51 5.059 2.717 -0.163 416 HE1 TYR 51 HE1 TYR 51 9.418 2.958 -2.443 417 HE2 TYR 51 HE2 TYR 51 5.275 3.964 -2.262 418 HH TYR 51 HH TYR 51 7.898 3.731 -4.318 419 H ILE 52 H ILE 52 5.626 2.211 3.513 420 HA ILE 52 HA ILE 52 5.000 4.940 3.008 421 HB ILE 52 HB ILE 52 3.803 2.942 4.989 422 HG12 ILE 52 2HG1 ILE 52 2.728 3.694 2.229 423 HG13 ILE 52 1HG1 ILE 52 3.841 2.352 2.454 424 HG21 ILE 52 1HG2 ILE 52 2.591 5.527 3.969 425 HG22 ILE 52 2HG2 ILE 52 3.179 5.239 5.606 426 HG23 ILE 52 3HG2 ILE 52 1.784 4.343 5.004 427 HD11 ILE 52 3HD1 ILE 52 1.108 2.583 3.692 428 HD12 ILE 52 1HD1 ILE 52 2.230 1.225 3.860 429 HD13 ILE 52 2HD1 ILE 52 1.551 1.619 2.281 430 H ARG 53 H ARG 53 6.503 3.199 5.638 431 HA ARG 53 HA ARG 53 6.576 5.129 7.666 432 HB2 ARG 53 2HB ARG 53 7.083 2.729 7.959 433 HB3 ARG 53 1HB ARG 53 8.588 2.937 7.069 434 HG2 ARG 53 2HG ARG 53 9.424 4.445 8.851 435 HG3 ARG 53 1HG ARG 53 7.904 4.243 9.726 436 HD2 ARG 53 2HD ARG 53 8.413 1.734 9.758 437 HD3 ARG 53 1HD ARG 53 10.033 2.155 9.189 438 HE ARG 53 HE ARG 53 9.509 3.709 11.452 439 HH11 ARG 53 1HH1 ARG 53 9.943 0.302 10.714 440 HH12 ARG 53 2HH1 ARG 53 10.535 -0.090 12.293 441 HH21 ARG 53 1HH2 ARG 53 10.241 3.186 13.519 442 HH22 ARG 53 2HH2 ARG 53 10.706 1.556 13.894 443 H ASP 54 H ASP 54 8.652 4.703 4.850 444 HA ASP 54 HA ASP 54 10.480 6.835 5.717 445 HB2 ASP 54 2HB ASP 54 11.371 4.725 4.677 446 HB3 ASP 54 1HB ASP 54 10.535 5.132 3.184 447 H GLU 55 H GLU 55 8.490 6.123 2.835 448 HA GLU 55 HA GLU 55 8.823 8.522 1.486 449 HB2 GLU 55 2HB GLU 55 6.526 6.534 1.377 450 HB3 GLU 55 1HB GLU 55 6.697 7.874 0.250 451 HG2 GLU 55 2HG GLU 55 8.550 5.505 0.581 452 HG3 GLU 55 1HG GLU 55 7.532 5.892 -0.805 453 H MET 56 H MET 56 5.840 7.621 3.290 454 HA MET 56 HA MET 56 5.024 10.446 3.423 455 HB2 MET 56 2HB MET 56 3.590 7.842 4.077 456 HB3 MET 56 1HB MET 56 2.918 9.410 4.517 457 HG2 MET 56 2HG MET 56 1.961 8.596 2.426 458 HG3 MET 56 1HG MET 56 2.876 10.081 2.173 459 HE1 MET 56 3HE MET 56 4.009 5.905 0.610 460 HE2 MET 56 1HE MET 56 2.419 6.385 1.203 461 HE3 MET 56 2HE MET 56 3.756 6.169 2.334 462 H GLY 57 H GLY 57 6.999 8.514 5.188 463 HA2 GLY 57 2HA GLY 57 8.060 8.815 7.179 464 HA3 GLY 57 1HA GLY 57 7.219 10.348 7.346 465 H VAL 58 H VAL 58 5.378 7.386 6.987 466 HA VAL 58 HA VAL 58 4.713 7.402 9.862 467 HB VAL 58 HB VAL 58 3.095 8.906 8.772 468 HG11 VAL 58 1HG1 VAL 58 2.327 6.586 6.974 469 HG12 VAL 58 2HG1 VAL 58 3.096 8.095 6.476 470 HG13 VAL 58 3HG1 VAL 58 1.443 8.116 7.097 471 HG21 VAL 58 3HG2 VAL 58 2.329 7.568 10.684 472 HG22 VAL 58 1HG2 VAL 58 1.796 6.295 9.579 473 HG23 VAL 58 2HG2 VAL 58 1.011 7.877 9.550 474 H SER 59 H SER 59 4.847 5.391 10.619 475 HA SER 59 HA SER 59 5.289 3.140 8.896 476 HB2 SER 59 2HB SER 59 5.546 1.900 11.098 477 HB3 SER 59 1HB SER 59 6.581 3.319 10.955 478 HG SER 59 HG SER 59 5.202 4.442 12.300 479 H ILE 60 H ILE 60 3.875 1.499 8.374 480 HA ILE 60 HA ILE 60 1.268 1.255 9.683 481 HB ILE 60 HB ILE 60 2.620 -0.698 7.749 482 HG12 ILE 60 2HG1 ILE 60 1.889 1.660 6.804 483 HG13 ILE 60 1HG1 ILE 60 1.425 0.210 5.924 484 HG21 ILE 60 1HG2 ILE 60 1.031 -1.837 9.183 485 HG22 ILE 60 2HG2 ILE 60 0.337 -1.706 7.572 486 HG23 ILE 60 3HG2 ILE 60 -0.214 -0.630 8.858 487 HD11 ILE 60 3HD1 ILE 60 -0.823 0.347 6.722 488 HD12 ILE 60 1HD1 ILE 60 -0.364 1.937 6.120 489 HD13 ILE 60 2HD1 ILE 60 -0.413 1.630 7.857 490 HA PRO 61 HA PRO 61 3.506 -1.337 12.744 491 HB2 PRO 61 2HB PRO 61 1.807 -0.962 14.821 492 HB3 PRO 61 1HB PRO 61 2.942 0.308 14.315 493 HG2 PRO 61 2HG PRO 61 0.020 0.059 13.699 494 HG3 PRO 61 1HG PRO 61 0.946 1.494 14.190 495 HD2 PRO 61 2HD PRO 61 0.268 0.900 11.581 496 HD3 PRO 61 1HD PRO 61 1.656 1.906 12.033 497 H SER 62 H SER 62 2.821 -3.250 14.017 498 HA SER 62 HA SER 62 1.491 -5.104 12.367 499 HB2 SER 62 2HB SER 62 2.296 -5.470 15.276 500 HB3 SER 62 1HB SER 62 2.014 -6.746 14.080 501 HG SER 62 HG SER 62 3.866 -6.319 13.154 502 H THR 63 H THR 63 0.353 -3.210 15.049 503 HA THR 63 HA THR 63 -2.107 -4.582 15.532 504 HB THR 63 HB THR 63 -1.142 -3.185 17.268 505 HG1 THR 63 HG1 THR 63 -3.677 -3.031 16.547 506 HG21 THR 63 3HG2 THR 63 -1.019 -0.735 17.116 507 HG22 THR 63 1HG2 THR 63 -1.595 -0.794 15.450 508 HG23 THR 63 2HG2 THR 63 -0.026 -1.489 15.865 509 H HIS 64 H HIS 64 -1.105 -2.393 13.060 510 HA HIS 64 HA HIS 64 -3.870 -1.941 12.107 511 HB2 HIS 64 2HB HIS 64 -1.277 -0.444 11.627 512 HB3 HIS 64 1HB HIS 64 -2.617 -0.296 10.495 513 HD1 HIS 64 HD1 HIS 64 -1.806 0.399 14.141 514 HD2 HIS 64 HD2 HIS 64 -4.588 1.484 11.250 515 HE1 HIS 64 HE1 HIS 64 -3.120 2.282 15.150 516 HE2 HIS 64 HE2 HIS 64 -4.587 3.098 13.278 517 H ILE 65 H ILE 65 -1.997 -4.426 11.869 518 HA ILE 65 HA ILE 65 -2.008 -4.733 8.946 519 HB ILE 65 HB ILE 65 -1.049 -6.668 11.096 520 HG12 ILE 65 2HG1 ILE 65 0.424 -4.746 10.948 521 HG13 ILE 65 1HG1 ILE 65 1.233 -6.110 10.188 522 HG21 ILE 65 1HG2 ILE 65 -0.818 -6.929 8.063 523 HG22 ILE 65 2HG2 ILE 65 -1.827 -7.917 9.124 524 HG23 ILE 65 3HG2 ILE 65 -0.072 -8.004 9.255 525 HD11 ILE 65 3HD1 ILE 65 0.651 -5.220 7.991 526 HD12 ILE 65 1HD1 ILE 65 1.569 -4.061 8.955 527 HD13 ILE 65 2HD1 ILE 65 -0.174 -3.860 8.762 528 H THR 66 H THR 66 -4.126 -4.707 8.507 529 HA THR 66 HA THR 66 -5.449 -7.298 8.752 530 HB THR 66 HB THR 66 -6.654 -6.022 10.446 531 HG1 THR 66 HG1 THR 66 -8.311 -7.001 9.555 532 HG21 THR 66 3HG2 THR 66 -6.023 -3.741 9.725 533 HG22 THR 66 1HG2 THR 66 -7.766 -3.885 9.993 534 HG23 THR 66 2HG2 THR 66 -7.127 -3.879 8.348 535 H GLY 67 H GLY 67 -7.106 -7.504 7.059 536 HA2 GLY 67 2HA GLY 67 -6.124 -6.860 4.501 537 HA3 GLY 67 1HA GLY 67 -7.703 -7.529 4.877 538 H LYS 68 H LYS 68 -8.565 -5.329 6.540 539 HA LYS 68 HA LYS 68 -9.994 -3.750 4.782 540 HB2 LYS 68 2HB LYS 68 -10.514 -4.068 7.195 541 HB3 LYS 68 1HB LYS 68 -9.152 -3.040 7.627 542 HG2 LYS 68 2HG LYS 68 -10.220 -1.086 6.810 543 HG3 LYS 68 1HG LYS 68 -11.427 -2.013 5.917 544 HD2 LYS 68 2HD LYS 68 -12.566 -1.147 7.817 545 HD3 LYS 68 1HD LYS 68 -12.294 -2.849 8.176 546 HE2 LYS 68 2HE LYS 68 -11.788 -1.701 10.183 547 HE3 LYS 68 1HE LYS 68 -10.207 -2.048 9.479 548 HZ1 LYS 68 3HZ LYS 68 -11.671 0.531 9.454 549 HZ2 LYS 68 1HZ LYS 68 -10.286 0.237 8.529 550 HZ3 LYS 68 2HZ LYS 68 -10.204 0.177 10.214 551 H TYR 69 H TYR 69 -6.787 -3.170 6.080 552 HA TYR 69 HA TYR 69 -6.684 -0.411 5.101 553 HB2 TYR 69 2HB TYR 69 -4.732 -2.038 6.778 554 HB3 TYR 69 1HB TYR 69 -4.481 -0.355 6.309 555 HD1 TYR 69 HD2 TYR 69 -7.434 0.559 6.628 556 HD2 TYR 69 HD1 TYR 69 -4.844 -1.671 9.198 557 HE1 TYR 69 HE2 TYR 69 -8.738 1.281 8.557 558 HE2 TYR 69 HE1 TYR 69 -6.163 -0.939 11.129 559 HH TYR 69 HH TYR 69 -7.725 0.813 11.768 560 H PHE 70 H PHE 70 -5.768 -3.521 4.011 561 HA PHE 70 HA PHE 70 -3.947 -2.356 1.946 562 HB2 PHE 70 2HB PHE 70 -3.823 -5.090 3.323 563 HB3 PHE 70 1HB PHE 70 -2.881 -4.677 1.901 564 HD1 PHE 70 HD1 PHE 70 -1.053 -2.986 2.037 565 HD2 PHE 70 HD2 PHE 70 -3.161 -4.262 5.538 566 HE1 PHE 70 HE1 PHE 70 0.729 -2.059 3.455 567 HE2 PHE 70 HE2 PHE 70 -1.370 -3.334 6.945 568 HZ PHE 70 HZ PHE 70 0.576 -2.232 5.903 569 H LYS 71 H LYS 71 -6.988 -2.917 1.973 570 HA LYS 71 HA LYS 71 -7.702 -5.053 0.297 571 HB2 LYS 71 2HB LYS 71 -8.924 -2.258 0.342 572 HB3 LYS 71 1HB LYS 71 -9.665 -3.652 -0.425 573 HG2 LYS 71 2HG LYS 71 -9.103 -3.391 2.538 574 HG3 LYS 71 1HG LYS 71 -10.660 -3.083 1.770 575 HD2 LYS 71 2HD LYS 71 -9.190 -5.747 1.798 576 HD3 LYS 71 1HD LYS 71 -10.568 -5.326 2.813 577 HE2 LYS 71 2HE LYS 71 -11.993 -5.126 0.846 578 HE3 LYS 71 1HE LYS 71 -10.620 -5.456 -0.215 579 HZ1 LYS 71 3HZ LYS 71 -10.436 -7.646 0.782 580 HZ2 LYS 71 1HZ LYS 71 -11.975 -7.417 0.132 581 HZ3 LYS 71 2HZ LYS 71 -11.742 -7.330 1.797 582 H ASP 72 H ASP 72 -6.798 -1.756 -0.532 583 HA ASP 72 HA ASP 72 -5.722 -2.298 -3.124 584 HB2 ASP 72 2HB ASP 72 -7.417 -1.115 -4.472 585 HB3 ASP 72 1HB ASP 72 -8.205 -2.435 -3.615 586 H LEU 73 H LEU 73 -5.850 0.278 -4.203 587 HA LEU 73 HA LEU 73 -3.971 1.620 -2.509 588 HB2 LEU 73 2HB LEU 73 -3.782 1.758 -4.968 589 HB3 LEU 73 1HB LEU 73 -5.282 2.669 -5.036 590 HG LEU 73 HG LEU 73 -4.227 4.544 -3.784 591 HD11 LEU 73 1HD1 LEU 73 -2.638 3.290 -2.400 592 HD12 LEU 73 2HD1 LEU 73 -1.788 4.532 -3.314 593 HD13 LEU 73 3HD1 LEU 73 -1.700 2.848 -3.831 594 HD21 LEU 73 3HD2 LEU 73 -2.669 3.660 -6.242 595 HD22 LEU 73 1HD2 LEU 73 -2.604 5.280 -5.537 596 HD23 LEU 73 2HD2 LEU 73 -4.114 4.672 -6.206 597 H ASN 74 H ASN 74 -7.386 2.174 -3.280 598 HA ASN 74 HA ASN 74 -7.577 4.733 -2.004 599 HB2 ASN 74 2HB ASN 74 -9.783 2.727 -2.666 600 HB3 ASN 74 1HB ASN 74 -10.040 4.405 -2.191 601 HD21 ASN 74 1HD2 ASN 74 -8.933 2.287 -4.744 602 HD22 ASN 74 2HD2 ASN 74 -8.927 3.491 -5.992 603 H ALA 75 H ALA 75 -7.935 1.398 -0.882 604 HA ALA 75 HA ALA 75 -8.855 1.924 1.747 605 HB1 ALA 75 3HB ALA 75 -8.853 -0.333 0.763 606 HB2 ALA 75 1HB ALA 75 -7.992 -0.312 2.307 607 HB3 ALA 75 2HB ALA 75 -7.091 -0.350 0.788 608 H ILE 76 H ILE 76 -5.540 1.447 0.526 609 HA ILE 76 HA ILE 76 -4.113 2.114 2.896 610 HB ILE 76 HB ILE 76 -3.241 2.166 -0.033 611 HG12 ILE 76 2HG1 ILE 76 -2.697 0.138 2.165 612 HG13 ILE 76 1HG1 ILE 76 -3.888 -0.077 0.885 613 HG21 ILE 76 1HG2 ILE 76 -1.762 3.675 1.302 614 HG22 ILE 76 2HG2 ILE 76 -0.893 2.239 0.749 615 HG23 ILE 76 3HG2 ILE 76 -1.441 2.345 2.422 616 HD11 ILE 76 3HD1 ILE 76 -2.066 -0.096 -0.766 617 HD12 ILE 76 1HD1 ILE 76 -1.897 -1.358 0.459 618 HD13 ILE 76 2HD1 ILE 76 -0.899 0.096 0.550 619 H SER 77 H SER 77 -5.509 4.079 0.351 620 HA SER 77 HA SER 77 -4.041 6.477 0.777 621 HB2 SER 77 2HB SER 77 -5.278 6.100 -1.322 622 HB3 SER 77 1HB SER 77 -6.806 6.046 -0.449 623 HG SER 77 HG SER 77 -5.621 8.337 0.172 624 H ARG 78 H ARG 78 -6.957 5.145 2.219 625 HA ARG 78 HA ARG 78 -7.451 7.556 3.779 626 HB2 ARG 78 2HB ARG 78 -8.795 4.819 3.870 627 HB3 ARG 78 1HB ARG 78 -9.322 6.230 4.792 628 HG2 ARG 78 2HG ARG 78 -9.300 5.937 1.772 629 HG3 ARG 78 1HG ARG 78 -10.723 5.986 2.813 630 HD2 ARG 78 2HD ARG 78 -10.342 8.324 3.340 631 HD3 ARG 78 1HD ARG 78 -8.759 8.303 2.560 632 HE ARG 78 HE ARG 78 -11.163 7.795 0.941 633 HH11 ARG 78 1HH1 ARG 78 -8.495 9.947 1.736 634 HH12 ARG 78 2HH1 ARG 78 -8.727 10.935 0.329 635 HH21 ARG 78 1HH2 ARG 78 -11.438 9.085 -0.886 636 HH22 ARG 78 2HH2 ARG 78 -10.397 10.443 -1.159 637 H THR 79 H THR 79 -6.226 4.263 4.330 638 HA THR 79 HA THR 79 -5.899 4.232 7.091 639 HB THR 79 HB THR 79 -4.036 2.980 5.024 640 HG1 THR 79 HG1 THR 79 -5.666 1.711 4.634 641 HG21 THR 79 3HG2 THR 79 -4.543 2.185 7.930 642 HG22 THR 79 1HG2 THR 79 -3.051 2.897 7.303 643 HG23 THR 79 2HG2 THR 79 -3.555 1.291 6.777 644 H VAL 80 H VAL 80 -3.661 5.375 4.629 645 HA VAL 80 HA VAL 80 -1.430 5.842 6.293 646 HB VAL 80 HB VAL 80 -1.351 5.443 3.793 647 HG11 VAL 80 1HG1 VAL 80 -1.720 7.286 2.217 648 HG12 VAL 80 2HG1 VAL 80 -2.266 8.340 3.528 649 HG13 VAL 80 3HG1 VAL 80 -3.206 6.908 3.094 650 HG21 VAL 80 3HG2 VAL 80 0.609 6.372 4.982 651 HG22 VAL 80 1HG2 VAL 80 0.042 8.013 4.665 652 HG23 VAL 80 2HG2 VAL 80 0.515 6.963 3.324 653 H GLU 81 H GLU 81 -4.209 7.794 5.372 654 HA GLU 81 HA GLU 81 -3.247 10.266 6.585 655 HB2 GLU 81 2HB GLU 81 -6.045 9.532 5.618 656 HB3 GLU 81 1HB GLU 81 -5.465 11.158 5.980 657 HG2 GLU 81 2HG GLU 81 -3.859 11.013 4.143 658 HG3 GLU 81 1HG GLU 81 -4.371 9.361 3.807 659 H GLN 82 H GLN 82 -5.329 7.549 7.569 660 HA GLN 82 HA GLN 82 -6.430 8.672 9.949 661 HB2 GLN 82 2HB GLN 82 -5.756 5.734 9.460 662 HB3 GLN 82 1HB GLN 82 -6.830 6.349 10.712 663 HG2 GLN 82 2HG GLN 82 -7.313 6.425 7.728 664 HG3 GLN 82 1HG GLN 82 -8.079 5.350 8.879 665 HE21 GLN 82 1HE2 GLN 82 -8.525 7.478 10.868 666 HE22 GLN 82 2HE2 GLN 82 -9.819 8.428 10.244 667 H LEU 83 H LEU 83 -3.505 6.891 9.235 668 HA LEU 83 HA LEU 83 -2.446 6.656 11.869 669 HB2 LEU 83 2HB LEU 83 -1.149 6.506 9.129 670 HB3 LEU 83 1HB LEU 83 -0.276 6.183 10.619 671 HG LEU 83 HG LEU 83 -2.646 4.559 9.610 672 HD11 LEU 83 1HD1 LEU 83 0.320 3.908 9.605 673 HD12 LEU 83 2HD1 LEU 83 -0.664 4.285 8.187 674 HD13 LEU 83 3HD1 LEU 83 -0.990 2.824 9.117 675 HD21 LEU 83 3HD2 LEU 83 -0.798 4.122 11.989 676 HD22 LEU 83 1HD2 LEU 83 -1.989 2.962 11.391 677 HD23 LEU 83 2HD2 LEU 83 -2.520 4.503 12.049 678 H LYS 84 H LYS 84 -1.948 9.026 9.247 679 HA LYS 84 HA LYS 84 0.045 10.534 10.591 680 HB2 LYS 84 2HB LYS 84 -1.885 11.345 8.380 681 HB3 LYS 84 1HB LYS 84 -0.681 12.453 9.038 682 HG2 LYS 84 2HG LYS 84 1.095 10.780 8.376 683 HG3 LYS 84 1HG LYS 84 -0.161 9.869 7.532 684 HD2 LYS 84 2HD LYS 84 0.712 12.731 6.961 685 HD3 LYS 84 1HD LYS 84 1.048 11.317 5.963 686 HE2 LYS 84 2HE LYS 84 -1.295 11.091 5.389 687 HE3 LYS 84 1HE LYS 84 -1.750 12.354 6.534 688 HZ1 LYS 84 3HZ LYS 84 -0.431 13.927 5.199 689 HZ2 LYS 84 1HZ LYS 84 -1.726 13.257 4.350 690 HZ3 LYS 84 2HZ LYS 84 -0.158 12.715 4.051 691 H ALA 85 H ALA 85 -3.492 10.640 10.707 692 HA ALA 85 HA ALA 85 -3.756 12.992 12.287 693 HB1 ALA 85 3HB ALA 85 -5.588 10.573 12.106 694 HB2 ALA 85 1HB ALA 85 -5.653 12.000 11.064 695 HB3 ALA 85 2HB ALA 85 -6.024 12.145 12.782 696 H GLU 86 H GLU 86 -3.646 9.529 13.152 697 HA GLU 86 HA GLU 86 -3.775 9.643 15.948 698 HB2 GLU 86 2HB GLU 86 -2.304 7.655 14.154 699 HB3 GLU 86 1HB GLU 86 -2.602 7.393 15.870 700 HG2 GLU 86 2HG GLU 86 -4.990 7.284 15.502 701 HG3 GLU 86 1HG GLU 86 -4.797 7.752 13.814 702 H SER 87 H SER 87 -1.022 9.885 13.765 703 HA SER 87 HA SER 87 0.974 9.979 15.874 704 HB2 SER 87 2HB SER 87 1.214 10.317 12.853 705 HB3 SER 87 1HB SER 87 2.584 10.239 13.967 706 HG SER 87 HG SER 87 0.618 8.214 13.634 707 H ALA 88 H ALA 88 -0.876 12.378 14.087 708 HA ALA 88 HA ALA 88 1.048 14.509 14.174 709 HB1 ALA 88 3HB ALA 88 -0.759 14.493 12.514 710 HB2 ALA 88 1HB ALA 88 -0.810 15.977 13.470 711 HB3 ALA 88 2HB ALA 88 -1.964 14.675 13.786 712 H LEU 89 H LEU 89 1.349 16.131 15.626 713 HA LEU 89 HA LEU 89 0.517 16.063 18.288 714 HB2 LEU 89 2HB LEU 89 1.548 18.187 18.573 715 HB3 LEU 89 1HB LEU 89 2.496 17.360 17.355 716 HG LEU 89 HG LEU 89 0.458 19.561 16.781 717 HD11 LEU 89 1HD1 LEU 89 2.416 20.976 16.287 718 HD12 LEU 89 2HD1 LEU 89 3.486 19.672 16.812 719 HD13 LEU 89 3HD1 LEU 89 2.395 20.442 17.967 720 HD21 LEU 89 3HD2 LEU 89 2.425 18.230 14.876 721 HD22 LEU 89 1HD2 LEU 89 1.383 19.603 14.490 722 HD23 LEU 89 2HD2 LEU 89 0.670 18.033 14.856 723 H GLU 90 H GLU 90 -1.005 17.321 15.458 724 HA GLU 90 HA GLU 90 -3.017 18.884 16.908 725 HB2 GLU 90 2HB GLU 90 -3.599 19.760 14.616 726 HB3 GLU 90 1HB GLU 90 -1.960 20.112 15.145 727 HG2 GLU 90 2HG GLU 90 -1.164 18.161 13.765 728 HG3 GLU 90 1HG GLU 90 -2.798 18.025 13.114 729 H281 4EM 101 2H28 PYA 142 0.951 -10.720 8.342 730 H283 4EM 101 3H28 PYA 142 1.630 -11.839 9.528 731 H303 4EM 101 3H30 PYA 142 -1.496 -12.409 7.567 732 H301 4EM 101 1H30 PYA 142 -1.546 -10.677 7.925 733 H302 4EM 101 2H30 PYA 142 -2.602 -11.798 8.789 734 H312 4EM 101 2H31 PYA 142 -1.675 -10.911 10.979 735 H313 4EM 101 3H31 PYA 142 0.061 -10.921 11.268 736 H311 4EM 101 1H31 PYA 142 -0.622 -9.812 10.071 737 H32 4EM 101 H32 PYA 142 -0.373 -14.021 9.254 738 H33 4EM 101 H33 PYA 142 0.245 -14.258 11.519 739 H36 4EM 101 H36 PYA 142 -2.533 -14.383 8.837 740 H373 4EM 101 3H37 PYA 142 -4.275 -15.702 10.061 741 H372 4EM 101 2H37 PYA 142 -4.535 -14.247 11.021 742 H382 4EM 101 2H38 PYA 142 -5.222 -13.014 9.014 743 H383 4EM 101 3H38 PYA 142 -6.239 -14.431 9.271 744 H41 4EM 101 H41 PYA 142 -5.368 -12.750 6.835 745 H423 4EM 101 3H42 PYA 142 -5.631 -14.579 4.780 746 H422 4EM 101 2H42 PYA 142 -3.892 -14.393 5.028 747 H433 4EM 101 3H43 PYA 142 -5.837 -12.142 4.420 748 H432 4EM 101 2H43 PYA 142 -4.709 -12.873 3.271 749 H44 4EM 101 H44 PYA 142 -2.971 -12.213 4.684 750 H49 4EM 101 H49 PYA 142 -3.676 -7.919 5.859 751 H51 4EM 101 H51 PYA 142 -1.121 -7.429 6.197 752 H50 4EM 101 H50 PYA 142 0.166 -9.678 6.038 753 H48 4EM 101 H48 PYA 142 -1.565 -11.472 5.441 Start of MODEL 15 1 H1 MET 1 1H MET 1 4.791 10.802 -0.895 2 H2 MET 1 2H MET 1 5.217 12.007 0.199 3 H3 MET 1 3H MET 1 6.384 11.366 -0.842 4 HA MET 1 HA MET 1 5.694 13.523 -1.596 5 HB2 MET 1 2HB MET 1 6.237 11.527 -3.179 6 HB3 MET 1 1HB MET 1 4.508 11.417 -3.461 7 HG2 MET 1 2HG MET 1 4.505 13.679 -4.398 8 HG3 MET 1 1HG MET 1 6.231 13.832 -4.053 9 HE1 MET 1 3HE MET 1 5.016 14.382 -6.950 10 HE2 MET 1 1HE MET 1 6.164 13.528 -7.980 11 HE3 MET 1 2HE MET 1 6.747 14.478 -6.616 12 H ASP 2 H ASP 2 3.673 14.467 -3.035 13 HA ASP 2 HA ASP 2 1.559 14.948 -1.235 14 HB2 ASP 2 2HB ASP 2 2.478 16.406 -3.224 15 HB3 ASP 2 1HB ASP 2 1.348 15.504 -4.220 16 H GLY 3 H GLY 3 -0.781 14.589 -1.748 17 HA2 GLY 3 2HA GLY 3 -1.406 12.045 -1.116 18 HA3 GLY 3 1HA GLY 3 -2.541 13.167 -1.832 19 H GLU 4 H GLU 4 -1.943 13.299 -4.472 20 HA GLU 4 HA GLU 4 -2.950 10.700 -5.277 21 HB2 GLU 4 2HB GLU 4 -2.655 13.314 -6.802 22 HB3 GLU 4 1HB GLU 4 -3.335 11.845 -7.508 23 HG2 GLU 4 2HG GLU 4 -5.141 11.840 -5.861 24 HG3 GLU 4 1HG GLU 4 -4.446 13.246 -5.062 25 H GLU 5 H GLU 5 0.049 12.442 -5.651 26 HA GLU 5 HA GLU 5 0.947 10.908 -7.935 27 HB2 GLU 5 2HB GLU 5 3.279 12.078 -7.023 28 HB3 GLU 5 1HB GLU 5 2.185 12.795 -8.179 29 HG2 GLU 5 2HG GLU 5 1.897 13.324 -5.222 30 HG3 GLU 5 1HG GLU 5 3.024 14.230 -6.217 31 H VAL 6 H VAL 6 1.309 10.722 -4.447 32 HA VAL 6 HA VAL 6 3.449 8.808 -4.526 33 HB VAL 6 HB VAL 6 3.091 10.333 -2.585 34 HG11 VAL 6 1HG1 VAL 6 0.707 8.573 -1.899 35 HG12 VAL 6 2HG1 VAL 6 0.641 10.272 -2.376 36 HG13 VAL 6 3HG1 VAL 6 1.406 9.814 -0.853 37 HG21 VAL 6 3HG2 VAL 6 3.640 8.705 -0.838 38 HG22 VAL 6 1HG2 VAL 6 4.483 8.333 -2.341 39 HG23 VAL 6 2HG2 VAL 6 3.068 7.391 -1.865 40 H LYS 7 H LYS 7 -0.040 8.625 -4.621 41 HA LYS 7 HA LYS 7 -0.557 6.081 -3.604 42 HB2 LYS 7 2HB LYS 7 -2.011 7.687 -5.745 43 HB3 LYS 7 1HB LYS 7 -2.615 6.145 -5.154 44 HG2 LYS 7 2HG LYS 7 -2.592 7.199 -2.814 45 HG3 LYS 7 1HG LYS 7 -2.313 8.732 -3.631 46 HD2 LYS 7 2HD LYS 7 -4.718 6.933 -4.124 47 HD3 LYS 7 1HD LYS 7 -4.713 8.333 -3.062 48 HE2 LYS 7 2HE LYS 7 -5.738 8.989 -5.108 49 HE3 LYS 7 1HE LYS 7 -4.171 9.763 -5.043 50 HZ1 LYS 7 3HZ LYS 7 -4.746 7.288 -6.581 51 HZ2 LYS 7 1HZ LYS 7 -3.342 8.224 -6.644 52 HZ3 LYS 7 2HZ LYS 7 -4.789 8.850 -7.237 53 H GLU 8 H GLU 8 -0.188 6.869 -7.090 54 HA GLU 8 HA GLU 8 -0.174 4.206 -8.038 55 HB2 GLU 8 2HB GLU 8 0.808 5.174 -10.124 56 HB3 GLU 8 1HB GLU 8 -0.608 6.048 -9.557 57 HG2 GLU 8 2HG GLU 8 0.808 7.813 -8.619 58 HG3 GLU 8 1HG GLU 8 2.261 6.933 -9.094 59 H LYS 9 H LYS 9 2.364 6.241 -6.771 60 HA LYS 9 HA LYS 9 4.630 4.840 -7.684 61 HB2 LYS 9 2HB LYS 9 4.294 7.310 -6.879 62 HB3 LYS 9 1HB LYS 9 4.529 6.655 -5.259 63 HG2 LYS 9 2HG LYS 9 6.749 5.826 -5.938 64 HG3 LYS 9 1HG LYS 9 6.478 6.483 -7.555 65 HD2 LYS 9 2HD LYS 9 7.885 8.015 -6.222 66 HD3 LYS 9 1HD LYS 9 6.338 8.762 -6.628 67 HE2 LYS 9 2HE LYS 9 6.946 9.224 -4.300 68 HE3 LYS 9 1HE LYS 9 5.492 8.226 -4.371 69 HZ1 LYS 9 3HZ LYS 9 8.249 7.284 -3.810 70 HZ2 LYS 9 1HZ LYS 9 6.898 6.281 -3.959 71 HZ3 LYS 9 2HZ LYS 9 6.978 7.409 -2.707 72 H ILE 10 H ILE 10 2.584 4.536 -4.835 73 HA ILE 10 HA ILE 10 4.192 2.688 -3.353 74 HB ILE 10 HB ILE 10 1.146 2.926 -3.371 75 HG12 ILE 10 2HG1 ILE 10 2.077 5.099 -2.777 76 HG13 ILE 10 1HG1 ILE 10 1.383 4.365 -1.347 77 HG21 ILE 10 1HG2 ILE 10 1.859 0.841 -2.326 78 HG22 ILE 10 2HG2 ILE 10 1.220 1.943 -1.107 79 HG23 ILE 10 3HG2 ILE 10 2.964 1.719 -1.264 80 HD11 ILE 10 3HD1 ILE 10 4.318 4.537 -2.019 81 HD12 ILE 10 1HD1 ILE 10 3.645 3.745 -0.589 82 HD13 ILE 10 2HD1 ILE 10 3.446 5.481 -0.813 83 H ARG 11 H ARG 11 1.631 2.384 -5.783 84 HA ARG 11 HA ARG 11 1.622 -0.478 -5.927 85 HB2 ARG 11 2HB ARG 11 0.416 1.658 -7.676 86 HB3 ARG 11 1HB ARG 11 0.254 -0.059 -8.046 87 HG2 ARG 11 2HG ARG 11 -0.664 1.273 -5.490 88 HG3 ARG 11 1HG ARG 11 -1.709 0.830 -6.842 89 HD2 ARG 11 2HD ARG 11 -1.391 -1.501 -6.453 90 HD3 ARG 11 1HD ARG 11 -0.009 -1.218 -5.400 91 HE ARG 11 HE ARG 11 -2.803 -1.119 -4.707 92 HH11 ARG 11 1HH1 ARG 11 0.384 -0.019 -3.713 93 HH12 ARG 11 2HH1 ARG 11 -0.059 0.129 -2.044 94 HH21 ARG 11 1HH2 ARG 11 -3.283 -1.137 -2.496 95 HH22 ARG 11 2HH2 ARG 11 -2.143 -0.508 -1.361 96 H ARG 12 H ARG 12 3.502 1.977 -7.464 97 HA ARG 12 HA ARG 12 4.466 0.405 -9.650 98 HB2 ARG 12 2HB ARG 12 5.410 2.965 -8.327 99 HB3 ARG 12 1HB ARG 12 6.415 2.184 -9.537 100 HG2 ARG 12 2HG ARG 12 3.664 3.405 -9.896 101 HG3 ARG 12 1HG ARG 12 5.170 3.867 -10.689 102 HD2 ARG 12 2HD ARG 12 5.182 1.609 -11.804 103 HD3 ARG 12 1HD ARG 12 3.578 1.327 -11.126 104 HE ARG 12 HE ARG 12 3.073 3.538 -12.445 105 HH11 ARG 12 1HH1 ARG 12 5.077 0.866 -13.469 106 HH12 ARG 12 2HH1 ARG 12 4.749 1.096 -15.161 107 HH21 ARG 12 1HH2 ARG 12 2.607 3.817 -14.671 108 HH22 ARG 12 2HH2 ARG 12 3.346 2.765 -15.841 109 H TYR 13 H TYR 13 5.662 1.183 -6.449 110 HA TYR 13 HA TYR 13 7.958 -0.399 -6.382 111 HB2 TYR 13 2HB TYR 13 7.412 1.238 -4.664 112 HB3 TYR 13 1HB TYR 13 5.977 0.337 -4.202 113 HD1 TYR 13 HD1 TYR 13 9.688 -0.243 -4.548 114 HD2 TYR 13 HD2 TYR 13 6.170 -0.951 -2.227 115 HE1 TYR 13 HE1 TYR 13 11.040 -1.370 -2.843 116 HE2 TYR 13 HE2 TYR 13 7.525 -2.079 -0.530 117 HH TYR 13 HH TYR 13 10.876 -1.874 -0.396 118 H ILE 14 H ILE 14 4.570 -1.296 -5.615 119 HA ILE 14 HA ILE 14 4.989 -3.956 -4.820 120 HB ILE 14 HB ILE 14 2.553 -2.640 -6.115 121 HG12 ILE 14 2HG1 ILE 14 3.340 -3.291 -3.235 122 HG13 ILE 14 1HG1 ILE 14 3.059 -1.699 -3.928 123 HG21 ILE 14 1HG2 ILE 14 1.235 -4.607 -5.332 124 HG22 ILE 14 2HG2 ILE 14 2.727 -5.412 -4.836 125 HG23 ILE 14 3HG2 ILE 14 2.433 -5.064 -6.541 126 HD11 ILE 14 3HD1 ILE 14 0.682 -2.271 -4.167 127 HD12 ILE 14 1HD1 ILE 14 1.253 -2.325 -2.502 128 HD13 ILE 14 2HD1 ILE 14 1.002 -3.825 -3.390 129 H MET 15 H MET 15 3.917 -2.800 -8.030 130 HA MET 15 HA MET 15 3.892 -5.423 -9.130 131 HB2 MET 15 2HB MET 15 3.779 -2.704 -10.504 132 HB3 MET 15 1HB MET 15 3.448 -4.243 -11.295 133 HG2 MET 15 2HG MET 15 1.874 -3.075 -8.982 134 HG3 MET 15 1HG MET 15 1.369 -3.091 -10.672 135 HE1 MET 15 3HE MET 15 0.531 -5.171 -11.953 136 HE2 MET 15 1HE MET 15 0.606 -6.830 -11.342 137 HE3 MET 15 2HE MET 15 2.094 -5.965 -11.727 138 H GLU 16 H GLU 16 6.253 -2.734 -9.409 139 HA GLU 16 HA GLU 16 7.868 -4.156 -11.334 140 HB2 GLU 16 2HB GLU 16 8.470 -1.607 -9.781 141 HB3 GLU 16 1HB GLU 16 9.425 -2.230 -11.120 142 HG2 GLU 16 2HG GLU 16 7.457 -1.974 -12.620 143 HG3 GLU 16 1HG GLU 16 6.543 -1.283 -11.280 144 H ASP 17 H ASP 17 7.931 -3.931 -7.788 145 HA ASP 17 HA ASP 17 10.511 -5.426 -7.764 146 HB2 ASP 17 2HB ASP 17 9.164 -3.970 -5.447 147 HB3 ASP 17 1HB ASP 17 10.703 -4.822 -5.375 148 H LEU 18 H LEU 18 7.415 -5.385 -5.929 149 HA LEU 18 HA LEU 18 7.941 -7.882 -4.651 150 HB2 LEU 18 2HB LEU 18 5.417 -6.212 -4.817 151 HB3 LEU 18 1HB LEU 18 5.493 -7.702 -3.910 152 HG LEU 18 HG LEU 18 5.753 -5.913 -2.337 153 HD11 LEU 18 1HD1 LEU 18 7.215 -7.853 -1.910 154 HD12 LEU 18 2HD1 LEU 18 7.888 -6.361 -1.277 155 HD13 LEU 18 3HD1 LEU 18 8.537 -7.051 -2.764 156 HD21 LEU 18 3HD2 LEU 18 8.036 -4.781 -3.984 157 HD22 LEU 18 1HD2 LEU 18 7.473 -4.169 -2.425 158 HD23 LEU 18 2HD2 LEU 18 6.424 -4.086 -3.835 159 H ILE 19 H ILE 19 6.030 -7.092 -7.532 160 HA ILE 19 HA ILE 19 5.462 -9.912 -8.072 161 HB ILE 19 HB ILE 19 4.888 -7.374 -9.660 162 HG12 ILE 19 2HG1 ILE 19 2.495 -8.085 -9.451 163 HG13 ILE 19 1HG1 ILE 19 3.012 -9.456 -8.491 164 HG21 ILE 19 1HG2 ILE 19 3.786 -8.715 -11.425 165 HG22 ILE 19 2HG2 ILE 19 4.358 -10.193 -10.642 166 HG23 ILE 19 3HG2 ILE 19 5.519 -9.057 -11.330 167 HD11 ILE 19 3HD1 ILE 19 2.089 -7.682 -7.144 168 HD12 ILE 19 1HD1 ILE 19 3.319 -6.566 -7.737 169 HD13 ILE 19 2HD1 ILE 19 3.785 -7.959 -6.750 170 H GLY 20 H GLY 20 7.383 -7.271 -9.542 171 HA2 GLY 20 2HA GLY 20 9.804 -7.796 -9.927 172 HA3 GLY 20 1HA GLY 20 9.257 -9.263 -10.731 173 HA PRO 21 HA PRO 21 9.848 -5.915 -13.977 174 HB2 PRO 21 2HB PRO 21 11.445 -7.322 -15.686 175 HB3 PRO 21 1HB PRO 21 12.098 -6.544 -14.229 176 HG2 PRO 21 2HG PRO 21 11.327 -9.419 -14.629 177 HG3 PRO 21 1HG PRO 21 12.804 -8.740 -13.902 178 HD2 PRO 21 2HD PRO 21 10.714 -9.623 -12.383 179 HD3 PRO 21 1HD PRO 21 11.760 -8.276 -11.875 180 H SER 22 H SER 22 8.637 -9.167 -14.024 181 HA SER 22 HA SER 22 7.262 -8.868 -16.604 182 HB2 SER 22 2HB SER 22 8.371 -11.040 -15.977 183 HB3 SER 22 1HB SER 22 7.255 -11.195 -14.620 184 HG SER 22 HG SER 22 5.548 -11.197 -16.175 185 H ALA 23 H ALA 23 6.680 -7.072 -14.381 186 HA ALA 23 HA ALA 23 4.153 -7.601 -13.194 187 HB1 ALA 23 3HB ALA 23 5.502 -4.945 -13.816 188 HB2 ALA 23 1HB ALA 23 5.730 -5.903 -12.353 189 HB3 ALA 23 2HB ALA 23 4.156 -5.192 -12.696 190 H LYS 24 H LYS 24 2.133 -7.299 -13.975 191 HA LYS 24 HA LYS 24 1.717 -6.258 -16.684 192 HB2 LYS 24 2HB LYS 24 -0.249 -7.520 -14.755 193 HB3 LYS 24 1HB LYS 24 -0.590 -7.078 -16.423 194 HG2 LYS 24 2HG LYS 24 1.095 -8.761 -17.178 195 HG3 LYS 24 1HG LYS 24 1.336 -9.234 -15.491 196 HD2 LYS 24 2HD LYS 24 -1.063 -9.874 -15.331 197 HD3 LYS 24 1HD LYS 24 -1.300 -9.401 -17.014 198 HE2 LYS 24 2HE LYS 24 0.339 -11.167 -17.696 199 HE3 LYS 24 1HE LYS 24 0.448 -11.679 -16.012 200 HZ1 LYS 24 3HZ LYS 24 -1.090 -13.061 -17.243 201 HZ2 LYS 24 1HZ LYS 24 -2.002 -11.712 -17.689 202 HZ3 LYS 24 2HZ LYS 24 -1.924 -12.179 -16.068 203 H GLU 25 H GLU 25 1.740 -4.066 -16.665 204 HA GLU 25 HA GLU 25 0.848 -2.376 -14.561 205 HB2 GLU 25 2HB GLU 25 1.266 -1.734 -17.514 206 HB3 GLU 25 1HB GLU 25 1.053 -0.533 -16.242 207 HG2 GLU 25 2HG GLU 25 3.121 -1.233 -15.172 208 HG3 GLU 25 1HG GLU 25 3.342 -2.516 -16.366 209 H ASP 26 H ASP 26 -0.810 -3.974 -17.111 210 HA ASP 26 HA ASP 26 -3.197 -2.496 -17.378 211 HB2 ASP 26 2HB ASP 26 -3.005 -5.544 -17.489 212 HB3 ASP 26 1HB ASP 26 -4.138 -4.510 -18.352 213 H GLU 27 H GLU 27 -2.209 -5.045 -15.140 214 HA GLU 27 HA GLU 27 -4.686 -5.341 -13.757 215 HB2 GLU 27 2HB GLU 27 -1.884 -6.096 -12.847 216 HB3 GLU 27 1HB GLU 27 -3.383 -6.692 -12.156 217 HG2 GLU 27 2HG GLU 27 -2.229 -7.292 -14.878 218 HG3 GLU 27 1HG GLU 27 -2.465 -8.409 -13.543 219 H LEU 28 H LEU 28 -2.016 -3.127 -13.401 220 HA LEU 28 HA LEU 28 -2.388 -2.442 -10.666 221 HB2 LEU 28 2HB LEU 28 -0.317 -2.118 -12.164 222 HB3 LEU 28 1HB LEU 28 -1.107 -0.691 -12.796 223 HG LEU 28 HG LEU 28 -0.483 -1.037 -9.835 224 HD11 LEU 28 1HD1 LEU 28 1.531 0.275 -10.134 225 HD12 LEU 28 2HD1 LEU 28 1.258 0.354 -11.882 226 HD13 LEU 28 3HD1 LEU 28 1.610 -1.195 -11.105 227 HD21 LEU 28 3HD2 LEU 28 -0.627 1.443 -9.762 228 HD22 LEU 28 1HD2 LEU 28 -2.142 0.704 -10.289 229 HD23 LEU 28 2HD2 LEU 28 -1.068 1.454 -11.474 230 H ASP 29 H ASP 29 -3.712 -0.979 -9.744 231 HA ASP 29 HA ASP 29 -4.816 1.347 -10.917 232 HB2 ASP 29 2HB ASP 29 -6.349 -0.473 -11.942 233 HB3 ASP 29 1HB ASP 29 -6.925 -0.775 -10.308 234 H ASP 30 H ASP 30 -6.470 2.367 -9.305 235 HA ASP 30 HA ASP 30 -5.466 2.170 -6.642 236 HB2 ASP 30 2HB ASP 30 -7.890 3.710 -7.657 237 HB3 ASP 30 1HB ASP 30 -7.180 3.874 -6.054 238 H GLN 31 H GLN 31 -8.472 1.241 -8.223 239 HA GLN 31 HA GLN 31 -9.564 0.050 -5.764 240 HB2 GLN 31 2HB GLN 31 -10.819 0.488 -8.510 241 HB3 GLN 31 1HB GLN 31 -11.669 -0.161 -7.109 242 HG2 GLN 31 2HG GLN 31 -11.271 1.967 -5.896 243 HG3 GLN 31 1HG GLN 31 -10.453 2.613 -7.315 244 HE21 GLN 31 1HE2 GLN 31 -11.697 3.130 -9.166 245 HE22 GLN 31 2HE2 GLN 31 -13.410 3.331 -9.078 246 H THR 32 H THR 32 -7.408 -1.071 -7.898 247 HA THR 32 HA THR 32 -8.390 -3.743 -8.283 248 HB THR 32 HB THR 32 -5.569 -2.630 -8.425 249 HG1 THR 32 HG1 THR 32 -5.910 -2.960 -10.630 250 HG21 THR 32 3HG2 THR 32 -4.915 -4.865 -9.377 251 HG22 THR 32 1HG2 THR 32 -6.495 -5.504 -8.916 252 HG23 THR 32 2HG2 THR 32 -5.358 -4.972 -7.672 253 HA PRO 33 HA PRO 33 -7.633 -4.810 -3.921 254 HB2 PRO 33 2HB PRO 33 -8.875 -7.227 -3.928 255 HB3 PRO 33 1HB PRO 33 -9.789 -5.703 -3.995 256 HG2 PRO 33 2HG PRO 33 -9.064 -7.550 -6.243 257 HG3 PRO 33 1HG PRO 33 -10.618 -6.761 -5.900 258 HD2 PRO 33 2HD PRO 33 -8.826 -5.797 -7.730 259 HD3 PRO 33 1HD PRO 33 -9.960 -4.758 -6.839 260 H LEU 34 H LEU 34 -5.522 -5.214 -3.560 261 HA LEU 34 HA LEU 34 -3.870 -6.936 -5.134 262 HB2 LEU 34 2HB LEU 34 -3.287 -5.601 -2.462 263 HB3 LEU 34 1HB LEU 34 -2.100 -6.455 -3.425 264 HG LEU 34 HG LEU 34 -1.749 -4.102 -3.698 265 HD11 LEU 34 1HD1 LEU 34 -1.371 -5.418 -5.732 266 HD12 LEU 34 2HD1 LEU 34 -1.874 -3.775 -6.105 267 HD13 LEU 34 3HD1 LEU 34 -3.029 -5.100 -6.256 268 HD21 LEU 34 3HD2 LEU 34 -3.874 -3.209 -3.046 269 HD22 LEU 34 1HD2 LEU 34 -4.626 -3.814 -4.522 270 HD23 LEU 34 2HD2 LEU 34 -3.404 -2.544 -4.608 271 H LEU 35 H LEU 35 -5.178 -7.173 -1.814 272 HA LEU 35 HA LEU 35 -4.133 -9.654 -1.022 273 HB2 LEU 35 2HB LEU 35 -6.748 -8.280 -0.349 274 HB3 LEU 35 1HB LEU 35 -6.287 -9.795 0.402 275 HG LEU 35 HG LEU 35 -4.642 -7.243 0.667 276 HD11 LEU 35 1HD1 LEU 35 -5.641 -7.020 2.889 277 HD12 LEU 35 2HD1 LEU 35 -6.673 -8.420 2.591 278 HD13 LEU 35 3HD1 LEU 35 -6.887 -6.945 1.644 279 HD21 LEU 35 3HD2 LEU 35 -3.560 -8.412 2.530 280 HD22 LEU 35 1HD2 LEU 35 -3.382 -9.363 1.056 281 HD23 LEU 35 2HD2 LEU 35 -4.574 -9.833 2.270 282 H GLU 36 H GLU 36 -7.171 -8.910 -2.706 283 HA GLU 36 HA GLU 36 -8.254 -11.509 -2.814 284 HB2 GLU 36 2HB GLU 36 -9.542 -9.395 -3.145 285 HB3 GLU 36 1HB GLU 36 -8.726 -9.160 -4.684 286 HG2 GLU 36 2HG GLU 36 -10.943 -9.987 -5.088 287 HG3 GLU 36 1HG GLU 36 -9.791 -11.240 -5.536 288 H TRP 37 H TRP 37 -5.975 -9.795 -4.898 289 HA TRP 37 HA TRP 37 -6.106 -11.885 -6.996 290 HB2 TRP 37 2HB TRP 37 -4.645 -9.208 -6.876 291 HB3 TRP 37 1HB TRP 37 -4.502 -10.336 -8.222 292 HD1 TRP 37 HD1 TRP 37 -8.015 -9.956 -6.790 293 HE1 TRP 37 HE1 TRP 37 -9.464 -8.616 -8.405 294 HE3 TRP 37 HE3 TRP 37 -4.395 -8.380 -10.053 295 HZ2 TRP 37 HZ2 TRP 37 -9.168 -7.093 -10.741 296 HZ3 TRP 37 HZ3 TRP 37 -5.090 -6.980 -11.957 297 HH2 TRP 37 HH2 TRP 37 -7.416 -6.345 -12.300 298 H GLY 38 H GLY 38 -4.667 -11.710 -4.101 299 HA2 GLY 38 2HA GLY 38 -3.134 -13.108 -3.127 300 HA3 GLY 38 1HA GLY 38 -2.845 -13.854 -4.691 301 H ILE 39 H ILE 39 -2.484 -10.477 -4.554 302 HA ILE 39 HA ILE 39 0.313 -10.554 -5.169 303 HB ILE 39 HB ILE 39 -1.687 -8.286 -4.751 304 HG12 ILE 39 2HG1 ILE 39 -0.422 -9.409 -7.297 305 HG13 ILE 39 1HG1 ILE 39 -2.072 -9.705 -6.774 306 HG21 ILE 39 1HG2 ILE 39 1.186 -8.028 -5.679 307 HG22 ILE 39 2HG2 ILE 39 0.526 -7.437 -4.155 308 HG23 ILE 39 3HG2 ILE 39 -0.011 -6.733 -5.679 309 HD11 ILE 39 3HD1 ILE 39 -2.026 -8.097 -8.556 310 HD12 ILE 39 1HD1 ILE 39 -0.904 -7.072 -7.661 311 HD13 ILE 39 2HD1 ILE 39 -2.554 -7.300 -7.074 312 H LEU 40 H LEU 40 -1.710 -9.543 -2.438 313 HA LEU 40 HA LEU 40 0.649 -9.533 -0.631 314 HB2 LEU 40 2HB LEU 40 -2.149 -8.514 0.004 315 HB3 LEU 40 1HB LEU 40 -0.672 -8.217 0.905 316 HG LEU 40 HG LEU 40 -1.348 -7.078 -1.827 317 HD11 LEU 40 1HD1 LEU 40 -1.269 -5.741 0.893 318 HD12 LEU 40 2HD1 LEU 40 -2.704 -6.073 -0.092 319 HD13 LEU 40 3HD1 LEU 40 -1.499 -4.918 -0.655 320 HD21 LEU 40 3HD2 LEU 40 0.688 -5.704 -1.560 321 HD22 LEU 40 1HD2 LEU 40 1.044 -7.428 -1.664 322 HD23 LEU 40 2HD2 LEU 40 1.099 -6.607 -0.098 323 H ASN 41 H ASN 41 0.435 -10.738 1.347 324 HA ASN 41 HA ASN 41 -1.784 -12.426 1.996 325 HB2 ASN 41 2HB ASN 41 -0.693 -13.681 0.028 326 HB3 ASN 41 1HB ASN 41 0.733 -13.895 1.030 327 HD21 ASN 41 1HD2 ASN 41 -1.047 -15.885 -0.193 328 HD22 ASN 41 2HD2 ASN 41 -1.611 -16.884 1.097 329 H SER 42 H SER 42 1.746 -12.150 2.245 330 HA SER 42 HA SER 42 1.769 -10.967 4.785 331 HB2 SER 42 3HB SER 42 1.265 -13.213 5.707 332 HB3 SER 42 2HB SER 42 2.652 -13.896 4.846 333 H MET 43 H MET 43 4.609 -12.365 5.134 334 HA MET 43 HA MET 43 6.555 -11.182 5.021 335 HB2 MET 43 2HB MET 43 7.906 -12.327 3.196 336 HB3 MET 43 1HB MET 43 7.050 -13.371 4.307 337 HG2 MET 43 2HG MET 43 6.013 -12.636 1.571 338 HG3 MET 43 1HG MET 43 6.968 -14.070 1.917 339 HE1 MET 43 3HE MET 43 2.829 -14.606 1.491 340 HE2 MET 43 1HE MET 43 4.284 -14.531 0.492 341 HE3 MET 43 2HE MET 43 3.592 -13.049 1.164 342 H ASN 44 H ASN 44 5.416 -10.964 1.615 343 HA ASN 44 HA ASN 44 7.208 -8.809 1.000 344 HB2 ASN 44 2HB ASN 44 6.356 -8.926 -1.205 345 HB3 ASN 44 1HB ASN 44 6.391 -10.578 -0.619 346 HD21 ASN 44 1HD2 ASN 44 4.776 -9.206 -2.741 347 HD22 ASN 44 2HD2 ASN 44 3.149 -9.589 -2.375 348 H ILE 45 H ILE 45 4.168 -8.915 2.491 349 HA ILE 45 HA ILE 45 3.026 -6.447 1.578 350 HB ILE 45 HB ILE 45 1.801 -8.500 2.565 351 HG12 ILE 45 2HG1 ILE 45 1.050 -5.788 3.755 352 HG13 ILE 45 1HG1 ILE 45 0.666 -6.293 2.115 353 HG21 ILE 45 1HG2 ILE 45 2.603 -7.255 5.226 354 HG22 ILE 45 2HG2 ILE 45 3.180 -8.797 4.596 355 HG23 ILE 45 3HG2 ILE 45 1.476 -8.597 5.007 356 HD11 ILE 45 3HD1 ILE 45 -1.257 -6.507 3.567 357 HD12 ILE 45 1HD1 ILE 45 -0.360 -7.563 4.655 358 HD13 ILE 45 2HD1 ILE 45 -0.740 -8.102 3.017 359 H VAL 46 H VAL 46 5.340 -7.354 4.019 360 HA VAL 46 HA VAL 46 5.089 -5.129 5.800 361 HB VAL 46 HB VAL 46 7.454 -7.015 5.405 362 HG11 VAL 46 1HG1 VAL 46 6.726 -5.295 7.807 363 HG12 VAL 46 2HG1 VAL 46 8.094 -5.033 6.723 364 HG13 VAL 46 3HG1 VAL 46 8.044 -6.468 7.746 365 HG21 VAL 46 3HG2 VAL 46 6.484 -8.343 7.260 366 HG22 VAL 46 1HG2 VAL 46 5.389 -8.272 5.876 367 HG23 VAL 46 2HG2 VAL 46 5.084 -7.270 7.296 368 H LYS 47 H LYS 47 6.565 -5.552 2.747 369 HA LYS 47 HA LYS 47 8.567 -3.535 2.795 370 HB2 LYS 47 2HB LYS 47 7.116 -4.935 0.527 371 HB3 LYS 47 1HB LYS 47 8.298 -3.669 0.226 372 HG2 LYS 47 2HG LYS 47 9.339 -5.842 -0.029 373 HG3 LYS 47 1HG LYS 47 10.034 -5.005 1.361 374 HD2 LYS 47 2HD LYS 47 8.631 -6.359 2.882 375 HD3 LYS 47 1HD LYS 47 7.909 -7.169 1.496 376 HE2 LYS 47 2HE LYS 47 9.641 -8.556 2.563 377 HE3 LYS 47 1HE LYS 47 10.087 -8.137 0.909 378 HZ1 LYS 47 3HZ LYS 47 11.949 -7.898 2.383 379 HZ2 LYS 47 1HZ LYS 47 11.094 -6.834 3.374 380 HZ3 LYS 47 2HZ LYS 47 11.500 -6.382 1.798 381 H LEU 48 H LEU 48 5.118 -3.495 2.400 382 HA LEU 48 HA LEU 48 4.861 -0.865 1.291 383 HB2 LEU 48 2HB LEU 48 2.878 -2.712 2.669 384 HB3 LEU 48 1HB LEU 48 2.428 -1.090 2.167 385 HG LEU 48 HG LEU 48 1.667 -2.580 0.453 386 HD11 LEU 48 1HD1 LEU 48 2.618 -0.460 -0.356 387 HD12 LEU 48 2HD1 LEU 48 2.817 -1.745 -1.534 388 HD13 LEU 48 3HD1 LEU 48 4.195 -1.230 -0.568 389 HD21 LEU 48 3HD2 LEU 48 3.084 -4.151 -0.794 390 HD22 LEU 48 1HD2 LEU 48 3.064 -4.555 0.922 391 HD23 LEU 48 2HD2 LEU 48 4.468 -3.746 0.225 392 H MET 49 H MET 49 4.740 -2.181 4.589 393 HA MET 49 HA MET 49 4.064 0.154 5.998 394 HB2 MET 49 2HB MET 49 5.838 -2.149 6.909 395 HB3 MET 49 1HB MET 49 5.161 -0.918 7.970 396 HG2 MET 49 2HG MET 49 3.888 -2.938 8.186 397 HG3 MET 49 1HG MET 49 2.890 -1.718 7.401 398 HE1 MET 49 3HE MET 49 2.806 -5.062 7.650 399 HE2 MET 49 1HE MET 49 2.281 -5.588 6.045 400 HE3 MET 49 2HE MET 49 1.400 -4.316 6.883 401 H VAL 50 H VAL 50 7.251 -1.209 5.195 402 HA VAL 50 HA VAL 50 8.758 0.837 6.501 403 HB VAL 50 HB VAL 50 9.573 -1.508 6.143 404 HG11 VAL 50 1HG1 VAL 50 8.896 -1.898 3.832 405 HG12 VAL 50 2HG1 VAL 50 10.640 -2.121 3.984 406 HG13 VAL 50 3HG1 VAL 50 9.998 -0.643 3.257 407 HG21 VAL 50 3HG2 VAL 50 11.932 -0.915 5.725 408 HG22 VAL 50 1HG2 VAL 50 11.153 0.245 6.804 409 HG23 VAL 50 2HG2 VAL 50 11.428 0.658 5.111 410 H TYR 51 H TYR 51 7.531 0.497 3.224 411 HA TYR 51 HA TYR 51 9.249 2.288 1.841 412 HB2 TYR 51 2HB TYR 51 7.514 0.716 0.782 413 HB3 TYR 51 1HB TYR 51 6.280 1.865 1.261 414 HD1 TYR 51 HD2 TYR 51 6.169 4.138 0.132 415 HD2 TYR 51 HD1 TYR 51 8.978 1.172 -1.098 416 HE1 TYR 51 HE2 TYR 51 6.533 5.368 -1.950 417 HE2 TYR 51 HE1 TYR 51 9.340 2.393 -3.204 418 HH TYR 51 HH TYR 51 8.135 4.050 -4.640 419 H ILE 52 H ILE 52 6.104 2.706 3.280 420 HA ILE 52 HA ILE 52 5.830 5.513 2.815 421 HB ILE 52 HB ILE 52 4.235 3.652 4.631 422 HG12 ILE 52 2HG1 ILE 52 3.623 4.366 1.722 423 HG13 ILE 52 1HG1 ILE 52 4.439 2.880 2.194 424 HG21 ILE 52 1HG2 ILE 52 3.821 6.050 5.053 425 HG22 ILE 52 2HG2 ILE 52 2.408 5.254 4.364 426 HG23 ILE 52 3HG2 ILE 52 3.419 6.276 3.351 427 HD11 ILE 52 3HD1 ILE 52 2.096 2.512 1.749 428 HD12 ILE 52 1HD1 ILE 52 1.645 3.683 2.990 429 HD13 ILE 52 2HD1 ILE 52 2.472 2.186 3.439 430 H ARG 53 H ARG 53 6.897 3.485 5.465 431 HA ARG 53 HA ARG 53 7.164 5.404 7.531 432 HB2 ARG 53 2HB ARG 53 7.236 2.951 7.922 433 HB3 ARG 53 1HB ARG 53 8.732 2.841 7.009 434 HG2 ARG 53 2HG ARG 53 9.116 2.700 9.439 435 HG3 ARG 53 1HG ARG 53 9.925 4.097 8.728 436 HD2 ARG 53 2HD ARG 53 8.078 5.552 9.539 437 HD3 ARG 53 1HD ARG 53 7.310 4.140 10.279 438 HE ARG 53 HE ARG 53 9.773 4.091 11.382 439 HH11 ARG 53 1HH1 ARG 53 7.411 6.703 11.147 440 HH12 ARG 53 2HH1 ARG 53 7.940 7.460 12.611 441 HH21 ARG 53 1HH2 ARG 53 10.406 5.071 13.294 442 HH22 ARG 53 2HH2 ARG 53 9.638 6.531 13.829 443 H ASP 54 H ASP 54 9.212 4.519 4.815 444 HA ASP 54 HA ASP 54 11.534 6.036 5.704 445 HB2 ASP 54 2HB ASP 54 11.756 3.937 4.344 446 HB3 ASP 54 1HB ASP 54 10.952 4.735 2.998 447 H GLU 55 H GLU 55 8.735 6.537 3.662 448 HA GLU 55 HA GLU 55 9.870 8.946 2.419 449 HB2 GLU 55 2HB GLU 55 8.813 7.218 0.991 450 HB3 GLU 55 1HB GLU 55 7.281 7.467 1.818 451 HG2 GLU 55 2HG GLU 55 7.285 9.827 1.006 452 HG3 GLU 55 1HG GLU 55 8.768 9.483 0.124 453 H MET 56 H MET 56 6.515 8.237 3.613 454 HA MET 56 HA MET 56 6.189 11.025 4.426 455 HB2 MET 56 2HB MET 56 4.309 8.653 4.277 456 HB3 MET 56 1HB MET 56 3.838 10.078 5.192 457 HG2 MET 56 2HG MET 56 2.865 10.242 3.015 458 HG3 MET 56 1HG MET 56 4.145 11.444 3.122 459 HE1 MET 56 3HE MET 56 4.516 7.492 0.765 460 HE2 MET 56 1HE MET 56 3.069 7.969 1.655 461 HE3 MET 56 2HE MET 56 4.546 7.554 2.528 462 H GLY 57 H GLY 57 7.518 8.351 5.951 463 HA2 GLY 57 2HA GLY 57 8.343 8.156 8.091 464 HA3 GLY 57 1HA GLY 57 7.640 9.715 8.492 465 H VAL 58 H VAL 58 5.518 7.287 7.204 466 HA VAL 58 HA VAL 58 4.557 6.566 9.927 467 HB VAL 58 HB VAL 58 2.950 8.199 9.151 468 HG11 VAL 58 1HG1 VAL 58 1.746 8.038 6.992 469 HG12 VAL 58 2HG1 VAL 58 2.736 6.651 6.552 470 HG13 VAL 58 3HG1 VAL 58 3.484 8.236 6.751 471 HG21 VAL 58 3HG2 VAL 58 0.850 6.918 9.044 472 HG22 VAL 58 1HG2 VAL 58 1.946 6.234 10.247 473 HG23 VAL 58 2HG2 VAL 58 1.756 5.448 8.680 474 H SER 59 H SER 59 4.778 4.445 10.177 475 HA SER 59 HA SER 59 4.463 2.562 7.933 476 HB2 SER 59 2HB SER 59 6.436 2.264 9.395 477 HB3 SER 59 1HB SER 59 5.399 2.156 10.813 478 HG SER 59 HG SER 59 4.748 0.194 10.206 479 H ILE 60 H ILE 60 2.784 1.015 7.977 480 HA ILE 60 HA ILE 60 0.526 1.355 9.742 481 HB ILE 60 HB ILE 60 1.149 -1.035 7.943 482 HG12 ILE 60 2HG1 ILE 60 0.947 1.174 6.677 483 HG13 ILE 60 1HG1 ILE 60 -0.211 -0.063 6.208 484 HG21 ILE 60 1HG2 ILE 60 -0.488 -1.597 9.662 485 HG22 ILE 60 2HG2 ILE 60 -1.298 -1.482 8.104 486 HG23 ILE 60 3HG2 ILE 60 -1.454 -0.170 9.271 487 HD11 ILE 60 3HD1 ILE 60 -0.764 2.323 7.967 488 HD12 ILE 60 1HD1 ILE 60 -1.936 1.056 7.579 489 HD13 ILE 60 2HD1 ILE 60 -1.284 2.087 6.299 490 HA PRO 61 HA PRO 61 2.668 -1.105 12.985 491 HB2 PRO 61 2HB PRO 61 0.725 -0.830 14.925 492 HB3 PRO 61 1HB PRO 61 1.895 0.448 14.539 493 HG2 PRO 61 2HG PRO 61 -0.943 0.177 13.625 494 HG3 PRO 61 1HG PRO 61 -0.080 1.618 14.210 495 HD2 PRO 61 2HD PRO 61 -0.484 1.142 11.570 496 HD3 PRO 61 1HD PRO 61 0.960 1.988 12.166 497 H SER 62 H SER 62 2.135 -3.088 14.216 498 HA SER 62 HA SER 62 1.055 -5.020 12.443 499 HB2 SER 62 2HB SER 62 1.599 -6.618 14.379 500 HB3 SER 62 1HB SER 62 2.933 -5.656 13.746 501 HG SER 62 HG SER 62 1.718 -5.585 16.227 502 H THR 63 H THR 63 -0.362 -3.286 15.108 503 HA THR 63 HA THR 63 -2.648 -4.959 15.543 504 HB THR 63 HB THR 63 -1.930 -3.374 17.262 505 HG1 THR 63 HG1 THR 63 -4.030 -2.165 17.451 506 HG21 THR 63 3HG2 THR 63 -1.038 -1.590 15.796 507 HG22 THR 63 1HG2 THR 63 -2.153 -0.950 17.006 508 HG23 THR 63 2HG2 THR 63 -2.684 -1.150 15.336 509 H HIS 64 H HIS 64 -1.916 -2.281 13.339 510 HA HIS 64 HA HIS 64 -4.627 -2.158 12.246 511 HB2 HIS 64 2HB HIS 64 -2.123 -0.512 11.878 512 HB3 HIS 64 1HB HIS 64 -3.383 -0.443 10.654 513 HD1 HIS 64 HD1 HIS 64 -2.616 0.665 14.140 514 HD2 HIS 64 HD2 HIS 64 -5.771 0.821 11.451 515 HE1 HIS 64 HE1 HIS 64 -4.203 2.358 15.072 516 HE2 HIS 64 HE2 HIS 64 -6.170 2.349 13.492 517 H ILE 65 H ILE 65 -2.441 -4.465 11.889 518 HA ILE 65 HA ILE 65 -2.644 -4.741 8.996 519 HB ILE 65 HB ILE 65 -1.650 -6.812 11.003 520 HG12 ILE 65 2HG1 ILE 65 -0.189 -4.889 11.170 521 HG13 ILE 65 1HG1 ILE 65 0.652 -6.108 10.223 522 HG21 ILE 65 1HG2 ILE 65 -1.390 -6.635 7.977 523 HG22 ILE 65 2HG2 ILE 65 -2.311 -7.830 8.895 524 HG23 ILE 65 3HG2 ILE 65 -0.553 -7.809 8.991 525 HD11 ILE 65 3HD1 ILE 65 0.073 -4.912 8.183 526 HD12 ILE 65 1HD1 ILE 65 0.972 -3.903 9.314 527 HD13 ILE 65 2HD1 ILE 65 -0.769 -3.689 9.140 528 H THR 66 H THR 66 -4.743 -4.843 8.550 529 HA THR 66 HA THR 66 -5.966 -7.431 8.913 530 HB THR 66 HB THR 66 -7.124 -6.422 10.732 531 HG1 THR 66 HG1 THR 66 -8.688 -7.387 9.585 532 HG21 THR 66 3HG2 THR 66 -8.235 -4.229 10.674 533 HG22 THR 66 1HG2 THR 66 -7.640 -3.967 9.033 534 HG23 THR 66 2HG2 THR 66 -6.501 -4.066 10.377 535 H GLY 67 H GLY 67 -7.654 -7.784 7.320 536 HA2 GLY 67 2HA GLY 67 -6.683 -7.258 4.773 537 HA3 GLY 67 1HA GLY 67 -8.245 -7.954 5.135 538 H LYS 68 H LYS 68 -9.273 -5.665 6.528 539 HA LYS 68 HA LYS 68 -10.532 -4.327 4.408 540 HB2 LYS 68 2HB LYS 68 -11.519 -2.911 6.167 541 HB3 LYS 68 1HB LYS 68 -11.604 -4.628 6.540 542 HG2 LYS 68 2HG LYS 68 -9.781 -4.449 8.128 543 HG3 LYS 68 1HG LYS 68 -9.492 -2.763 7.691 544 HD2 LYS 68 2HD LYS 68 -12.018 -3.851 8.992 545 HD3 LYS 68 1HD LYS 68 -10.736 -2.973 9.826 546 HE2 LYS 68 2HE LYS 68 -11.203 -0.984 8.403 547 HE3 LYS 68 1HE LYS 68 -12.521 -1.864 7.626 548 HZ1 LYS 68 3HZ LYS 68 -12.363 -1.175 10.510 549 HZ2 LYS 68 1HZ LYS 68 -13.635 -2.004 9.764 550 HZ3 LYS 68 2HZ LYS 68 -13.317 -0.398 9.352 551 H TYR 69 H TYR 69 -7.561 -3.559 6.039 552 HA TYR 69 HA TYR 69 -7.506 -0.792 5.060 553 HB2 TYR 69 2HB TYR 69 -5.575 -2.333 6.845 554 HB3 TYR 69 1HB TYR 69 -5.349 -0.655 6.351 555 HD1 TYR 69 HD2 TYR 69 -8.432 0.058 6.576 556 HD2 TYR 69 HD1 TYR 69 -5.661 -1.791 9.261 557 HE1 TYR 69 HE2 TYR 69 -9.766 0.817 8.476 558 HE2 TYR 69 HE1 TYR 69 -7.007 -1.021 11.160 559 HH TYR 69 HH TYR 69 -10.166 0.290 10.765 560 H PHE 70 H PHE 70 -6.124 -3.922 4.350 561 HA PHE 70 HA PHE 70 -4.256 -2.743 2.369 562 HB2 PHE 70 2HB PHE 70 -4.254 -5.392 3.863 563 HB3 PHE 70 1HB PHE 70 -3.264 -5.155 2.425 564 HD1 PHE 70 HD2 PHE 70 -3.737 -4.105 5.952 565 HD2 PHE 70 HD1 PHE 70 -1.293 -3.728 2.459 566 HE1 PHE 70 HE2 PHE 70 -1.973 -3.043 7.287 567 HE2 PHE 70 HE1 PHE 70 0.465 -2.663 3.802 568 HZ PHE 70 HZ PHE 70 0.129 -2.321 6.220 569 H LYS 71 H LYS 71 -7.310 -3.531 2.186 570 HA LYS 71 HA LYS 71 -7.844 -5.562 0.408 571 HB2 LYS 71 2HB LYS 71 -9.000 -2.765 0.506 572 HB3 LYS 71 1HB LYS 71 -9.641 -3.984 -0.590 573 HG2 LYS 71 2HG LYS 71 -10.558 -5.254 1.142 574 HG3 LYS 71 1HG LYS 71 -9.520 -4.516 2.373 575 HD2 LYS 71 2HD LYS 71 -11.893 -3.726 2.466 576 HD3 LYS 71 1HD LYS 71 -10.724 -2.431 2.244 577 HE2 LYS 71 2HE LYS 71 -11.274 -2.467 -0.225 578 HE3 LYS 71 1HE LYS 71 -12.559 -3.623 0.128 579 HZ1 LYS 71 3HZ LYS 71 -13.577 -1.953 1.580 580 HZ2 LYS 71 1HZ LYS 71 -13.403 -1.380 -0.006 581 HZ3 LYS 71 2HZ LYS 71 -12.337 -0.863 1.201 582 H ASP 72 H ASP 72 -6.970 -2.248 -0.374 583 HA ASP 72 HA ASP 72 -5.832 -2.820 -2.948 584 HB2 ASP 72 2HB ASP 72 -7.472 -1.380 -4.220 585 HB3 ASP 72 1HB ASP 72 -8.179 -2.869 -3.628 586 H LEU 73 H LEU 73 -5.768 -0.330 -4.022 587 HA LEU 73 HA LEU 73 -3.832 0.972 -2.395 588 HB2 LEU 73 2HB LEU 73 -3.929 0.937 -4.939 589 HB3 LEU 73 1HB LEU 73 -5.225 2.104 -4.840 590 HG LEU 73 HG LEU 73 -2.367 2.618 -3.916 591 HD11 LEU 73 1HD1 LEU 73 -3.776 3.543 -6.449 592 HD12 LEU 73 2HD1 LEU 73 -2.485 2.341 -6.353 593 HD13 LEU 73 3HD1 LEU 73 -2.154 4.013 -5.928 594 HD21 LEU 73 3HD2 LEU 73 -4.654 4.584 -4.250 595 HD22 LEU 73 1HD2 LEU 73 -2.999 4.966 -3.777 596 HD23 LEU 73 2HD2 LEU 73 -4.011 4.015 -2.709 597 H ASN 74 H ASN 74 -7.199 1.814 -3.301 598 HA ASN 74 HA ASN 74 -7.285 4.349 -2.053 599 HB2 ASN 74 2HB ASN 74 -8.888 3.377 -3.804 600 HB3 ASN 74 1HB ASN 74 -9.669 2.495 -2.500 601 HD21 ASN 74 1HD2 ASN 74 -10.714 4.496 -4.317 602 HD22 ASN 74 2HD2 ASN 74 -11.362 5.769 -3.347 603 H ALA 75 H ALA 75 -8.035 1.100 -0.858 604 HA ALA 75 HA ALA 75 -8.996 1.665 1.712 605 HB1 ALA 75 3HB ALA 75 -7.281 -0.682 0.840 606 HB2 ALA 75 1HB ALA 75 -9.039 -0.581 0.703 607 HB3 ALA 75 2HB ALA 75 -8.277 -0.614 2.295 608 H ILE 76 H ILE 76 -5.618 1.141 0.674 609 HA ILE 76 HA ILE 76 -4.402 1.620 3.215 610 HB ILE 76 HB ILE 76 -3.232 1.577 0.404 611 HG12 ILE 76 2HG1 ILE 76 -3.126 -0.439 2.685 612 HG13 ILE 76 1HG1 ILE 76 -4.102 -0.601 1.230 613 HG21 ILE 76 1HG2 ILE 76 -1.774 3.001 1.803 614 HG22 ILE 76 2HG2 ILE 76 -0.969 1.479 1.428 615 HG23 ILE 76 3HG2 ILE 76 -1.681 1.730 3.023 616 HD11 ILE 76 3HD1 ILE 76 -2.016 -0.761 -0.086 617 HD12 ILE 76 1HD1 ILE 76 -2.199 -2.033 1.121 618 HD13 ILE 76 2HD1 ILE 76 -1.098 -0.686 1.421 619 H SER 77 H SER 77 -5.245 3.762 0.500 620 HA SER 77 HA SER 77 -3.613 5.946 1.392 621 HB2 SER 77 2HB SER 77 -4.832 7.296 -0.283 622 HB3 SER 77 1HB SER 77 -4.266 5.779 -0.961 623 HG SER 77 HG SER 77 -6.855 5.839 0.067 624 H ARG 78 H ARG 78 -6.853 4.846 2.191 625 HA ARG 78 HA ARG 78 -7.623 7.272 3.593 626 HB2 ARG 78 2HB ARG 78 -8.861 4.489 3.755 627 HB3 ARG 78 1HB ARG 78 -9.573 5.965 4.399 628 HG2 ARG 78 2HG ARG 78 -9.109 5.299 1.490 629 HG3 ARG 78 1HG ARG 78 -10.656 5.367 2.318 630 HD2 ARG 78 2HD ARG 78 -10.611 7.737 2.444 631 HD3 ARG 78 1HD ARG 78 -8.876 7.808 2.106 632 HE ARG 78 HE ARG 78 -10.655 6.742 0.025 633 HH11 ARG 78 1HH1 ARG 78 -8.638 9.400 1.121 634 HH12 ARG 78 2HH1 ARG 78 -8.571 10.151 -0.443 635 HH21 ARG 78 1HH2 ARG 78 -10.505 7.688 -2.019 636 HH22 ARG 78 2HH2 ARG 78 -9.632 9.176 -2.217 637 H THR 79 H THR 79 -6.266 4.122 4.434 638 HA THR 79 HA THR 79 -6.417 4.457 7.268 639 HB THR 79 HB THR 79 -4.620 2.557 5.702 640 HG1 THR 79 HG1 THR 79 -6.499 1.782 5.130 641 HG21 THR 79 3HG2 THR 79 -4.702 1.149 7.747 642 HG22 THR 79 1HG2 THR 79 -5.662 2.380 8.570 643 HG23 THR 79 2HG2 THR 79 -3.993 2.722 8.114 644 H VAL 80 H VAL 80 -3.995 5.215 4.840 645 HA VAL 80 HA VAL 80 -1.859 5.502 6.775 646 HB VAL 80 HB VAL 80 -1.552 4.681 4.367 647 HG11 VAL 80 1HG1 VAL 80 -1.217 6.339 2.579 648 HG12 VAL 80 2HG1 VAL 80 -1.740 7.631 3.660 649 HG13 VAL 80 3HG1 VAL 80 -2.879 6.372 3.177 650 HG21 VAL 80 3HG2 VAL 80 0.662 5.735 4.106 651 HG22 VAL 80 1HG2 VAL 80 0.353 5.270 5.779 652 HG23 VAL 80 2HG2 VAL 80 0.222 6.963 5.297 653 H GLU 81 H GLU 81 -4.157 7.629 5.121 654 HA GLU 81 HA GLU 81 -2.739 10.078 5.651 655 HB2 GLU 81 2HB GLU 81 -4.737 11.247 4.870 656 HB3 GLU 81 1HB GLU 81 -4.329 9.927 3.775 657 HG2 GLU 81 2HG GLU 81 -6.120 8.545 4.755 658 HG3 GLU 81 1HG GLU 81 -6.538 9.862 5.852 659 H GLN 82 H GLN 82 -5.364 8.316 7.241 660 HA GLN 82 HA GLN 82 -5.875 10.266 9.236 661 HB2 GLN 82 2HB GLN 82 -7.144 8.577 10.412 662 HB3 GLN 82 1HB GLN 82 -7.499 8.464 8.692 663 HG2 GLN 82 2HG GLN 82 -6.161 6.484 8.455 664 HG3 GLN 82 1HG GLN 82 -5.501 6.662 10.081 665 HE21 GLN 82 1HE2 GLN 82 -6.828 6.182 11.864 666 HE22 GLN 82 2HE2 GLN 82 -8.210 5.166 11.693 667 H LEU 83 H LEU 83 -3.635 7.513 9.030 668 HA LEU 83 HA LEU 83 -2.802 7.559 11.751 669 HB2 LEU 83 2HB LEU 83 -1.445 6.431 9.294 670 HB3 LEU 83 1HB LEU 83 -0.815 6.231 10.922 671 HG LEU 83 HG LEU 83 -3.430 5.096 9.857 672 HD11 LEU 83 1HD1 LEU 83 -0.835 3.765 10.690 673 HD12 LEU 83 2HD1 LEU 83 -1.429 3.956 9.039 674 HD13 LEU 83 3HD1 LEU 83 -2.306 2.929 10.176 675 HD21 LEU 83 3HD2 LEU 83 -2.259 4.886 12.655 676 HD22 LEU 83 1HD2 LEU 83 -3.627 3.943 12.055 677 HD23 LEU 83 2HD2 LEU 83 -3.761 5.693 12.205 678 H LYS 84 H LYS 84 -1.595 9.193 8.835 679 HA LYS 84 HA LYS 84 0.654 10.466 10.019 680 HB2 LYS 84 2HB LYS 84 -1.126 11.519 7.767 681 HB3 LYS 84 1HB LYS 84 0.426 12.214 8.223 682 HG2 LYS 84 2HG LYS 84 1.491 10.008 7.673 683 HG3 LYS 84 1HG LYS 84 -0.067 9.469 7.060 684 HD2 LYS 84 2HD LYS 84 1.572 11.788 5.952 685 HD3 LYS 84 1HD LYS 84 1.435 10.184 5.242 686 HE2 LYS 84 2HE LYS 84 -0.022 11.530 3.961 687 HE3 LYS 84 1HE LYS 84 -1.089 10.651 5.053 688 HZ1 LYS 84 3HZ LYS 84 -1.630 13.016 4.824 689 HZ2 LYS 84 1HZ LYS 84 -0.146 13.435 5.501 690 HZ3 LYS 84 2HZ LYS 84 -1.295 12.594 6.416 691 H ALA 85 H ALA 85 -2.772 11.265 10.023 692 HA ALA 85 HA ALA 85 -2.554 13.747 11.458 693 HB1 ALA 85 3HB ALA 85 -4.983 13.633 11.579 694 HB2 ALA 85 1HB ALA 85 -4.964 11.928 11.114 695 HB3 ALA 85 2HB ALA 85 -4.461 13.168 9.954 696 H GLU 86 H GLU 86 -2.902 10.360 12.376 697 HA GLU 86 HA GLU 86 -3.659 10.815 15.126 698 HB2 GLU 86 2HB GLU 86 -2.743 8.291 13.678 699 HB3 GLU 86 1HB GLU 86 -3.273 8.317 15.354 700 HG2 GLU 86 2HG GLU 86 -4.970 8.991 12.940 701 HG3 GLU 86 1HG GLU 86 -5.035 7.505 13.862 702 H SER 87 H SER 87 -0.684 10.321 13.358 703 HA SER 87 HA SER 87 0.958 10.035 15.769 704 HB2 SER 87 2HB SER 87 2.853 9.947 14.090 705 HB3 SER 87 1HB SER 87 1.628 8.706 13.846 706 HG SER 87 HG SER 87 1.325 9.468 11.943 707 H ALA 88 H ALA 88 0.124 12.498 13.345 708 HA ALA 88 HA ALA 88 1.832 14.551 14.389 709 HB1 ALA 88 3HB ALA 88 0.464 16.095 13.046 710 HB2 ALA 88 1HB ALA 88 -0.722 14.815 12.762 711 HB3 ALA 88 2HB ALA 88 0.912 14.666 12.115 712 H LEU 89 H LEU 89 1.173 16.396 15.584 713 HA LEU 89 HA LEU 89 -0.550 15.940 17.814 714 HB2 LEU 89 2HB LEU 89 0.125 18.075 18.611 715 HB3 LEU 89 1HB LEU 89 1.531 17.352 17.866 716 HG LEU 89 HG LEU 89 -0.146 19.630 16.716 717 HD11 LEU 89 1HD1 LEU 89 1.273 20.296 18.594 718 HD12 LEU 89 2HD1 LEU 89 1.901 20.963 17.090 719 HD13 LEU 89 3HD1 LEU 89 2.680 19.558 17.822 720 HD21 LEU 89 3HD2 LEU 89 1.562 19.803 14.930 721 HD22 LEU 89 1HD2 LEU 89 0.707 18.262 14.860 722 HD23 LEU 89 2HD2 LEU 89 2.337 18.334 15.529 723 H GLU 90 H GLU 90 -1.028 17.192 14.649 724 HA GLU 90 HA GLU 90 -3.453 18.700 15.274 725 HB2 GLU 90 2HB GLU 90 -3.394 19.236 12.789 726 HB3 GLU 90 1HB GLU 90 -2.024 19.808 13.729 727 HG2 GLU 90 2HG GLU 90 -0.740 17.760 12.928 728 HG3 GLU 90 1HG GLU 90 -2.077 17.454 11.819 729 H281 4EM 101 2H28 PYA 142 2.685 -10.443 8.003 730 H283 4EM 101 3H28 PYA 142 3.662 -11.069 9.331 731 H303 4EM 101 3H30 PYA 142 -0.281 -9.632 10.117 732 H301 4EM 101 1H30 PYA 142 -0.040 -11.183 9.294 733 H302 4EM 101 2H30 PYA 142 0.322 -9.664 8.465 734 H312 4EM 101 2H31 PYA 142 1.693 -8.248 10.816 735 H313 4EM 101 3H31 PYA 142 3.327 -8.794 10.457 736 H311 4EM 101 1H31 PYA 142 2.267 -8.274 9.140 737 H32 4EM 101 H32 PYA 142 1.332 -11.925 11.194 738 H33 4EM 101 H33 PYA 142 3.120 -11.565 12.637 739 H36 4EM 101 H36 PYA 142 -0.734 -11.004 11.930 740 H373 4EM 101 3H37 PYA 142 -1.410 -10.387 14.300 741 H372 4EM 101 2H37 PYA 142 -0.626 -8.846 13.964 742 H382 4EM 101 2H38 PYA 142 -2.227 -8.430 12.135 743 H383 4EM 101 3H38 PYA 142 -3.022 -8.601 13.699 744 H41 4EM 101 H41 PYA 142 -4.374 -8.776 11.306 745 H423 4EM 101 3H42 PYA 142 -6.335 -10.404 11.348 746 H422 4EM 101 2H42 PYA 142 -5.128 -11.605 10.896 747 H433 4EM 101 3H43 PYA 142 -5.873 -9.154 9.271 748 H432 4EM 101 2H43 PYA 142 -6.395 -10.810 8.945 749 H44 4EM 101 H44 PYA 142 -4.054 -11.326 8.847 750 H49 4EM 101 H49 PYA 142 -2.233 -8.279 6.057 751 H51 4EM 101 H51 PYA 142 -0.208 -9.806 5.382 752 H50 4EM 101 H50 PYA 142 -0.465 -12.084 6.628 753 H48 4EM 101 H48 PYA 142 -2.653 -11.947 7.963 Start of MODEL 16 1 H1 MET 1 1H MET 1 4.151 17.711 0.265 2 H2 MET 1 2H MET 1 2.776 17.822 1.236 3 H3 MET 1 3H MET 1 4.043 18.919 1.438 4 HA MET 1 HA MET 1 2.198 19.917 0.279 5 HB2 MET 1 2HB MET 1 4.608 19.444 -1.529 6 HB3 MET 1 1HB MET 1 3.437 20.751 -1.696 7 HG2 MET 1 2HG MET 1 5.465 21.583 -0.680 8 HG3 MET 1 1HG MET 1 4.147 21.654 0.491 9 HE1 MET 1 3HE MET 1 6.072 22.016 2.427 10 HE2 MET 1 1HE MET 1 7.349 21.852 1.222 11 HE3 MET 1 2HE MET 1 7.386 20.866 2.682 12 H ASP 2 H ASP 2 3.758 17.869 -2.210 13 HA ASP 2 HA ASP 2 1.324 17.156 -3.508 14 HB2 ASP 2 2HB ASP 2 2.799 15.550 -4.791 15 HB3 ASP 2 1HB ASP 2 3.336 17.224 -4.818 16 H GLY 3 H GLY 3 0.160 15.228 -3.435 17 HA2 GLY 3 2HA GLY 3 0.632 13.434 -1.124 18 HA3 GLY 3 1HA GLY 3 -0.924 14.187 -1.436 19 H GLU 4 H GLU 4 -1.416 13.859 -4.031 20 HA GLU 4 HA GLU 4 -2.075 11.056 -4.136 21 HB2 GLU 4 2HB GLU 4 -2.612 13.252 -6.178 22 HB3 GLU 4 1HB GLU 4 -3.285 11.624 -6.239 23 HG2 GLU 4 2HG GLU 4 -4.232 12.139 -3.870 24 HG3 GLU 4 1HG GLU 4 -3.885 13.825 -4.250 25 H GLU 5 H GLU 5 0.579 12.805 -5.234 26 HA GLU 5 HA GLU 5 1.437 11.248 -7.461 27 HB2 GLU 5 2HB GLU 5 2.914 13.079 -5.536 28 HB3 GLU 5 1HB GLU 5 3.713 12.272 -6.882 29 HG2 GLU 5 2HG GLU 5 3.166 14.577 -7.434 30 HG3 GLU 5 1HG GLU 5 2.330 13.440 -8.481 31 H VAL 6 H VAL 6 1.805 10.922 -3.946 32 HA VAL 6 HA VAL 6 3.804 8.884 -4.072 33 HB VAL 6 HB VAL 6 3.220 10.270 -1.972 34 HG11 VAL 6 1HG1 VAL 6 1.659 9.330 -0.341 35 HG12 VAL 6 2HG1 VAL 6 1.186 8.070 -1.477 36 HG13 VAL 6 3HG1 VAL 6 0.791 9.750 -1.816 37 HG21 VAL 6 3HG2 VAL 6 4.020 8.512 -0.457 38 HG22 VAL 6 1HG2 VAL 6 4.908 8.514 -1.982 39 HG23 VAL 6 2HG2 VAL 6 3.664 7.296 -1.686 40 H LYS 7 H LYS 7 0.296 8.897 -4.120 41 HA LYS 7 HA LYS 7 -0.237 6.165 -3.681 42 HB2 LYS 7 2HB LYS 7 -1.750 8.165 -5.413 43 HB3 LYS 7 1HB LYS 7 -2.365 6.572 -4.972 44 HG2 LYS 7 2HG LYS 7 -2.138 7.294 -2.527 45 HG3 LYS 7 1HG LYS 7 -1.861 8.930 -3.129 46 HD2 LYS 7 2HD LYS 7 -4.345 7.228 -3.549 47 HD3 LYS 7 1HD LYS 7 -4.207 8.642 -2.510 48 HE2 LYS 7 2HE LYS 7 -3.788 10.035 -4.536 49 HE3 LYS 7 1HE LYS 7 -4.044 8.611 -5.540 50 HZ1 LYS 7 3HZ LYS 7 -6.295 8.474 -4.788 51 HZ2 LYS 7 1HZ LYS 7 -6.013 10.041 -5.347 52 HZ3 LYS 7 2HZ LYS 7 -6.074 9.740 -3.688 53 H GLU 8 H GLU 8 0.516 7.903 -6.660 54 HA GLU 8 HA GLU 8 0.246 5.791 -8.449 55 HB2 GLU 8 2HB GLU 8 0.323 8.256 -8.987 56 HB3 GLU 8 1HB GLU 8 2.061 8.222 -8.680 57 HG2 GLU 8 2HG GLU 8 2.254 6.467 -10.433 58 HG3 GLU 8 1HG GLU 8 0.549 6.708 -10.787 59 H LYS 9 H LYS 9 2.996 6.916 -6.511 60 HA LYS 9 HA LYS 9 4.905 5.061 -7.564 61 HB2 LYS 9 2HB LYS 9 4.954 6.613 -4.952 62 HB3 LYS 9 1HB LYS 9 6.308 5.701 -5.609 63 HG2 LYS 9 2HG LYS 9 6.342 7.214 -7.582 64 HG3 LYS 9 1HG LYS 9 5.046 8.166 -6.850 65 HD2 LYS 9 2HD LYS 9 7.833 7.724 -5.719 66 HD3 LYS 9 1HD LYS 9 7.218 9.215 -6.427 67 HE2 LYS 9 2HE LYS 9 5.615 9.459 -4.590 68 HE3 LYS 9 1HE LYS 9 6.130 7.918 -3.903 69 HZ1 LYS 9 3HZ LYS 9 7.137 9.750 -2.744 70 HZ2 LYS 9 1HZ LYS 9 7.820 10.349 -4.173 71 HZ3 LYS 9 2HZ LYS 9 8.328 8.862 -3.543 72 H ILE 10 H ILE 10 2.483 4.870 -5.003 73 HA ILE 10 HA ILE 10 3.427 2.465 -3.764 74 HB ILE 10 HB ILE 10 0.501 3.310 -4.002 75 HG12 ILE 10 2HG1 ILE 10 1.688 5.180 -3.000 76 HG13 ILE 10 1HG1 ILE 10 0.727 4.384 -1.770 77 HG21 ILE 10 1HG2 ILE 10 0.162 1.988 -1.934 78 HG22 ILE 10 2HG2 ILE 10 1.858 1.499 -1.977 79 HG23 ILE 10 3HG2 ILE 10 0.761 0.997 -3.264 80 HD11 ILE 10 3HD1 ILE 10 2.758 3.336 -0.871 81 HD12 ILE 10 1HD1 ILE 10 2.882 5.097 -0.913 82 HD13 ILE 10 2HD1 ILE 10 3.711 4.130 -2.129 83 H ARG 11 H ARG 11 1.010 3.157 -6.255 84 HA ARG 11 HA ARG 11 0.188 0.686 -7.163 85 HB2 ARG 11 2HB ARG 11 0.773 3.208 -8.766 86 HB3 ARG 11 1HB ARG 11 -0.076 1.822 -9.438 87 HG2 ARG 11 2HG ARG 11 -1.914 2.138 -7.877 88 HG3 ARG 11 1HG ARG 11 -1.039 3.448 -7.076 89 HD2 ARG 11 2HD ARG 11 -2.762 4.324 -8.615 90 HD3 ARG 11 1HD ARG 11 -1.140 4.800 -9.119 91 HE ARG 11 HE ARG 11 -1.280 2.898 -10.752 92 HH11 ARG 11 1HH1 ARG 11 -4.216 4.556 -9.734 93 HH12 ARG 11 2HH1 ARG 11 -5.077 4.143 -11.182 94 HH21 ARG 11 1HH2 ARG 11 -2.466 2.296 -12.590 95 HH22 ARG 11 2HH2 ARG 11 -4.091 2.873 -12.786 96 H ARG 12 H ARG 12 3.063 2.493 -8.176 97 HA ARG 12 HA ARG 12 3.890 0.597 -10.162 98 HB2 ARG 12 2HB ARG 12 5.248 3.000 -8.917 99 HB3 ARG 12 1HB ARG 12 6.033 2.021 -10.141 100 HG2 ARG 12 2HG ARG 12 3.619 3.817 -10.407 101 HG3 ARG 12 1HG ARG 12 5.127 3.858 -11.322 102 HD2 ARG 12 2HD ARG 12 2.842 1.887 -11.554 103 HD3 ARG 12 1HD ARG 12 3.441 2.986 -12.798 104 HE ARG 12 HE ARG 12 4.267 0.340 -12.315 105 HH11 ARG 12 1HH1 ARG 12 5.719 3.422 -13.252 106 HH12 ARG 12 2HH1 ARG 12 7.055 2.663 -14.059 107 HH21 ARG 12 1HH2 ARG 12 6.025 -0.595 -13.329 108 HH22 ARG 12 2HH2 ARG 12 7.223 0.397 -14.097 109 H TYR 13 H TYR 13 5.022 1.409 -6.933 110 HA TYR 13 HA TYR 13 7.209 -0.341 -6.705 111 HB2 TYR 13 2HB TYR 13 6.865 1.376 -5.044 112 HB3 TYR 13 1HB TYR 13 5.289 0.745 -4.627 113 HD1 TYR 13 HD1 TYR 13 8.902 -0.321 -4.634 114 HD2 TYR 13 HD2 TYR 13 5.122 -0.592 -2.669 115 HE1 TYR 13 HE1 TYR 13 9.938 -1.618 -2.822 116 HE2 TYR 13 HE2 TYR 13 6.156 -1.887 -0.859 117 HH TYR 13 HH TYR 13 9.473 -2.119 -0.407 118 H ILE 14 H ILE 14 3.803 -0.878 -6.101 119 HA ILE 14 HA ILE 14 3.750 -3.502 -5.162 120 HB ILE 14 HB ILE 14 1.825 -1.863 -6.842 121 HG12 ILE 14 2HG1 ILE 14 2.081 -1.164 -4.501 122 HG13 ILE 14 1HG1 ILE 14 0.461 -1.799 -4.772 123 HG21 ILE 14 1HG2 ILE 14 1.310 -4.066 -7.573 124 HG22 ILE 14 2HG2 ILE 14 0.066 -3.609 -6.406 125 HG23 ILE 14 3HG2 ILE 14 1.373 -4.702 -5.928 126 HD11 ILE 14 3HD1 ILE 14 1.117 -3.902 -3.695 127 HD12 ILE 14 1HD1 ILE 14 1.350 -2.517 -2.635 128 HD13 ILE 14 2HD1 ILE 14 2.738 -3.256 -3.429 129 H MET 15 H MET 15 3.565 -2.352 -8.523 130 HA MET 15 HA MET 15 3.496 -4.982 -9.648 131 HB2 MET 15 2HB MET 15 4.107 -2.311 -10.977 132 HB3 MET 15 1HB MET 15 3.679 -3.807 -11.805 133 HG2 MET 15 2HG MET 15 1.941 -2.110 -10.026 134 HG3 MET 15 1HG MET 15 1.725 -2.466 -11.739 135 HE1 MET 15 3HE MET 15 0.798 -4.736 -12.669 136 HE2 MET 15 1HE MET 15 0.495 -6.166 -11.686 137 HE3 MET 15 2HE MET 15 2.149 -5.614 -11.948 138 H GLU 16 H GLU 16 6.119 -2.715 -8.969 139 HA GLU 16 HA GLU 16 8.039 -3.982 -10.701 140 HB2 GLU 16 2HB GLU 16 8.289 -1.833 -8.577 141 HB3 GLU 16 1HB GLU 16 9.662 -2.390 -9.527 142 HG2 GLU 16 2HG GLU 16 7.154 -1.066 -10.615 143 HG3 GLU 16 1HG GLU 16 8.728 -0.303 -10.424 144 H ASP 17 H ASP 17 7.429 -3.926 -7.212 145 HA ASP 17 HA ASP 17 9.671 -5.796 -6.726 146 HB2 ASP 17 2HB ASP 17 8.094 -3.957 -4.881 147 HB3 ASP 17 1HB ASP 17 9.251 -5.146 -4.287 148 H LEU 18 H LEU 18 6.261 -5.310 -5.753 149 HA LEU 18 HA LEU 18 6.112 -7.774 -4.311 150 HB2 LEU 18 2HB LEU 18 3.958 -5.836 -5.167 151 HB3 LEU 18 1HB LEU 18 3.607 -7.276 -4.243 152 HG LEU 18 HG LEU 18 3.678 -5.421 -2.715 153 HD11 LEU 18 1HD1 LEU 18 4.608 -7.509 -1.836 154 HD12 LEU 18 2HD1 LEU 18 5.380 -6.110 -1.100 155 HD13 LEU 18 3HD1 LEU 18 6.231 -7.024 -2.345 156 HD21 LEU 18 3HD2 LEU 18 6.477 -4.742 -3.677 157 HD22 LEU 18 1HD2 LEU 18 5.612 -3.959 -2.351 158 HD23 LEU 18 2HD2 LEU 18 5.017 -3.810 -4.001 159 H ILE 19 H ILE 19 5.029 -6.840 -7.565 160 HA ILE 19 HA ILE 19 4.294 -9.587 -8.238 161 HB ILE 19 HB ILE 19 4.314 -7.004 -9.853 162 HG12 ILE 19 2HG1 ILE 19 1.859 -7.515 -10.159 163 HG13 ILE 19 1HG1 ILE 19 2.054 -8.893 -9.098 164 HG21 ILE 19 1HG2 ILE 19 3.742 -9.766 -10.972 165 HG22 ILE 19 2HG2 ILE 19 5.098 -8.721 -11.400 166 HG23 ILE 19 3HG2 ILE 19 3.454 -8.241 -11.822 167 HD11 ILE 19 3HD1 ILE 19 1.026 -7.029 -7.971 168 HD12 ILE 19 1HD1 ILE 19 2.421 -6.009 -8.333 169 HD13 ILE 19 2HD1 ILE 19 2.594 -7.400 -7.256 170 H GLY 20 H GLY 20 6.605 -7.262 -9.722 171 HA2 GLY 20 2HA GLY 20 9.029 -8.323 -9.591 172 HA3 GLY 20 1HA GLY 20 8.278 -9.490 -10.676 173 HA PRO 21 HA PRO 21 10.221 -5.800 -13.028 174 HB2 PRO 21 2HB PRO 21 11.604 -7.403 -14.856 175 HB3 PRO 21 1HB PRO 21 12.296 -6.791 -13.343 176 HG2 PRO 21 2HG PRO 21 11.094 -9.478 -13.907 177 HG3 PRO 21 1HG PRO 21 12.573 -9.065 -13.006 178 HD2 PRO 21 2HD PRO 21 10.313 -9.676 -11.703 179 HD3 PRO 21 1HD PRO 21 11.393 -8.398 -11.098 180 H SER 22 H SER 22 8.986 -8.894 -14.359 181 HA SER 22 HA SER 22 7.572 -7.583 -16.551 182 HB2 SER 22 2HB SER 22 7.495 -10.506 -15.671 183 HB3 SER 22 1HB SER 22 6.968 -9.849 -17.222 184 HG SER 22 HG SER 22 9.187 -10.871 -16.974 185 H ALA 23 H ALA 23 5.957 -6.356 -15.660 186 HA ALA 23 HA ALA 23 3.997 -7.613 -13.823 187 HB1 ALA 23 3HB ALA 23 3.843 -5.485 -12.632 188 HB2 ALA 23 1HB ALA 23 5.058 -4.777 -13.697 189 HB3 ALA 23 2HB ALA 23 5.499 -6.089 -12.605 190 H LYS 24 H LYS 24 1.929 -7.359 -14.351 191 HA LYS 24 HA LYS 24 1.137 -6.171 -16.850 192 HB2 LYS 24 2HB LYS 24 -0.498 -7.522 -14.688 193 HB3 LYS 24 1HB LYS 24 -1.127 -7.009 -16.253 194 HG2 LYS 24 2HG LYS 24 0.402 -8.564 -17.396 195 HG3 LYS 24 1HG LYS 24 1.056 -9.067 -15.830 196 HD2 LYS 24 2HD LYS 24 -1.118 -9.980 -15.166 197 HD3 LYS 24 1HD LYS 24 -1.857 -9.384 -16.656 198 HE2 LYS 24 2HE LYS 24 0.359 -11.438 -16.525 199 HE3 LYS 24 1HE LYS 24 -1.351 -11.810 -16.736 200 HZ1 LYS 24 3HZ LYS 24 -1.335 -10.623 -18.811 201 HZ2 LYS 24 1HZ LYS 24 -0.129 -11.804 -18.823 202 HZ3 LYS 24 2HZ LYS 24 0.282 -10.182 -18.601 203 H GLU 25 H GLU 25 1.689 -3.923 -16.350 204 HA GLU 25 HA GLU 25 0.384 -2.332 -14.407 205 HB2 GLU 25 2HB GLU 25 1.380 -1.479 -17.159 206 HB3 GLU 25 1HB GLU 25 0.988 -0.383 -15.839 207 HG2 GLU 25 2HG GLU 25 3.174 -2.466 -15.772 208 HG3 GLU 25 1HG GLU 25 3.423 -0.765 -16.154 209 H ASP 26 H ASP 26 -0.603 -3.505 -17.499 210 HA ASP 26 HA ASP 26 -2.905 -1.985 -18.056 211 HB2 ASP 26 2HB ASP 26 -1.639 -3.579 -19.617 212 HB3 ASP 26 1HB ASP 26 -2.430 -4.913 -18.786 213 H GLU 27 H GLU 27 -2.354 -4.746 -15.977 214 HA GLU 27 HA GLU 27 -5.182 -5.141 -15.315 215 HB2 GLU 27 2HB GLU 27 -2.623 -6.520 -14.447 216 HB3 GLU 27 1HB GLU 27 -4.179 -6.901 -13.732 217 HG2 GLU 27 2HG GLU 27 -3.490 -7.199 -16.666 218 HG3 GLU 27 1HG GLU 27 -3.518 -8.502 -15.480 219 H LEU 28 H LEU 28 -2.429 -3.453 -14.014 220 HA LEU 28 HA LEU 28 -3.213 -3.260 -11.291 221 HB2 LEU 28 2HB LEU 28 -0.900 -2.907 -12.196 222 HB3 LEU 28 1HB LEU 28 -1.417 -1.399 -12.910 223 HG LEU 28 HG LEU 28 -0.056 -1.177 -10.797 224 HD11 LEU 28 1HD1 LEU 28 -1.461 0.695 -11.497 225 HD12 LEU 28 2HD1 LEU 28 -1.355 0.591 -9.745 226 HD13 LEU 28 3HD1 LEU 28 -2.812 0.042 -10.567 227 HD21 LEU 28 3HD2 LEU 28 -1.022 -1.602 -8.616 228 HD22 LEU 28 1HD2 LEU 28 -0.954 -3.099 -9.541 229 HD23 LEU 28 2HD2 LEU 28 -2.494 -2.254 -9.345 230 H ASP 29 H ASP 29 -4.805 -2.101 -10.430 231 HA ASP 29 HA ASP 29 -5.653 0.491 -11.545 232 HB2 ASP 29 2HB ASP 29 -7.284 -1.359 -12.166 233 HB3 ASP 29 1HB ASP 29 -7.494 -1.648 -10.444 234 H ASP 30 H ASP 30 -6.993 1.667 -9.800 235 HA ASP 30 HA ASP 30 -5.481 1.726 -7.360 236 HB2 ASP 30 2HB ASP 30 -6.771 3.678 -6.749 237 HB3 ASP 30 1HB ASP 30 -6.340 3.817 -8.446 238 H GLN 31 H GLN 31 -8.512 0.400 -8.368 239 HA GLN 31 HA GLN 31 -9.180 -0.486 -5.618 240 HB2 GLN 31 2HB GLN 31 -10.896 -0.128 -8.111 241 HB3 GLN 31 1HB GLN 31 -11.491 -0.858 -6.620 242 HG2 GLN 31 2HG GLN 31 -11.084 1.207 -5.392 243 HG3 GLN 31 1HG GLN 31 -10.353 1.950 -6.810 244 HE21 GLN 31 1HE2 GLN 31 -11.690 2.706 -8.471 245 HE22 GLN 31 2HE2 GLN 31 -13.391 2.933 -8.255 246 H THR 32 H THR 32 -7.326 -1.672 -7.918 247 HA THR 32 HA THR 32 -8.167 -4.368 -8.207 248 HB THR 32 HB THR 32 -5.398 -3.115 -8.168 249 HG1 THR 32 HG1 THR 32 -6.531 -4.387 -10.379 250 HG21 THR 32 3HG2 THR 32 -4.511 -5.268 -9.082 251 HG22 THR 32 1HG2 THR 32 -6.072 -6.035 -8.780 252 HG23 THR 32 2HG2 THR 32 -5.091 -5.462 -7.428 253 HA PRO 33 HA PRO 33 -7.865 -5.378 -3.796 254 HB2 PRO 33 2HB PRO 33 -8.606 -8.008 -3.941 255 HB3 PRO 33 1HB PRO 33 -9.762 -6.671 -4.136 256 HG2 PRO 33 2HG PRO 33 -8.448 -8.330 -6.249 257 HG3 PRO 33 1HG PRO 33 -10.138 -7.797 -6.122 258 HD2 PRO 33 2HD PRO 33 -8.311 -6.545 -7.715 259 HD3 PRO 33 1HD PRO 33 -9.685 -5.696 -6.975 260 H LEU 34 H LEU 34 -5.811 -5.373 -3.088 261 HA LEU 34 HA LEU 34 -3.653 -6.647 -4.421 262 HB2 LEU 34 2HB LEU 34 -3.630 -5.332 -1.681 263 HB3 LEU 34 1HB LEU 34 -2.233 -5.669 -2.687 264 HG LEU 34 HG LEU 34 -4.417 -3.641 -3.316 265 HD11 LEU 34 1HD1 LEU 34 -2.698 -1.935 -2.933 266 HD12 LEU 34 2HD1 LEU 34 -1.541 -3.185 -2.468 267 HD13 LEU 34 3HD1 LEU 34 -2.977 -2.896 -1.482 268 HD21 LEU 34 3HD2 LEU 34 -1.882 -4.261 -4.877 269 HD22 LEU 34 1HD2 LEU 34 -2.969 -2.902 -5.189 270 HD23 LEU 34 2HD2 LEU 34 -3.540 -4.553 -5.410 271 H LEU 35 H LEU 35 -5.389 -7.377 -1.366 272 HA LEU 35 HA LEU 35 -3.803 -9.595 -0.530 273 HB2 LEU 35 2HB LEU 35 -6.748 -9.011 -0.016 274 HB3 LEU 35 1HB LEU 35 -5.934 -10.406 0.662 275 HG LEU 35 HG LEU 35 -6.146 -8.694 2.349 276 HD11 LEU 35 1HD1 LEU 35 -3.842 -8.438 3.128 277 HD12 LEU 35 2HD1 LEU 35 -3.214 -8.852 1.531 278 HD13 LEU 35 3HD1 LEU 35 -4.092 -10.059 2.482 279 HD21 LEU 35 3HD2 LEU 35 -6.350 -6.717 0.976 280 HD22 LEU 35 1HD2 LEU 35 -4.654 -6.827 0.493 281 HD23 LEU 35 2HD2 LEU 35 -5.080 -6.487 2.173 282 H GLU 36 H GLU 36 -6.544 -9.312 -2.740 283 HA GLU 36 HA GLU 36 -7.149 -12.091 -2.927 284 HB2 GLU 36 2HB GLU 36 -8.752 -10.196 -3.437 285 HB3 GLU 36 1HB GLU 36 -7.863 -9.930 -4.933 286 HG2 GLU 36 2HG GLU 36 -9.827 -11.196 -5.456 287 HG3 GLU 36 1HG GLU 36 -8.440 -12.267 -5.634 288 H TRP 37 H TRP 37 -5.103 -9.923 -4.719 289 HA TRP 37 HA TRP 37 -4.387 -11.902 -6.760 290 HB2 TRP 37 2HB TRP 37 -3.590 -9.007 -6.273 291 HB3 TRP 37 1HB TRP 37 -2.883 -9.983 -7.558 292 HD1 TRP 37 HD1 TRP 37 -6.684 -9.969 -6.684 293 HE1 TRP 37 HE1 TRP 37 -7.962 -9.147 -8.740 294 HE3 TRP 37 HE3 TRP 37 -2.718 -8.691 -9.654 295 HZ2 TRP 37 HZ2 TRP 37 -7.389 -8.093 -11.275 296 HZ3 TRP 37 HZ3 TRP 37 -3.180 -7.779 -11.897 297 HH2 TRP 37 HH2 TRP 37 -5.477 -7.489 -12.686 298 H GLY 38 H GLY 38 -3.461 -11.534 -3.613 299 HA2 GLY 38 2HA GLY 38 -1.743 -12.413 -2.373 300 HA3 GLY 38 1HA GLY 38 -1.195 -13.251 -3.814 301 H ILE 39 H ILE 39 -1.509 -9.839 -3.847 302 HA ILE 39 HA ILE 39 1.206 -9.246 -4.491 303 HB ILE 39 HB ILE 39 -1.185 -7.507 -3.744 304 HG12 ILE 39 2HG1 ILE 39 0.127 -8.096 -6.438 305 HG13 ILE 39 1HG1 ILE 39 -1.386 -8.784 -5.873 306 HG21 ILE 39 1HG2 ILE 39 0.827 -6.266 -3.149 307 HG22 ILE 39 2HG2 ILE 39 0.046 -5.542 -4.552 308 HG23 ILE 39 3HG2 ILE 39 1.494 -6.527 -4.765 309 HD11 ILE 39 3HD1 ILE 39 -1.783 -7.060 -7.494 310 HD12 ILE 39 1HD1 ILE 39 -0.870 -5.894 -6.540 311 HD13 ILE 39 2HD1 ILE 39 -2.393 -6.541 -5.923 312 H LEU 40 H LEU 40 -0.777 -8.881 -1.603 313 HA LEU 40 HA LEU 40 1.597 -8.907 0.089 314 HB2 LEU 40 2HB LEU 40 0.276 -7.121 1.548 315 HB3 LEU 40 1HB LEU 40 1.376 -6.645 0.313 316 HG LEU 40 HG LEU 40 -0.678 -6.377 -1.222 317 HD11 LEU 40 1HD1 LEU 40 -2.268 -7.640 0.071 318 HD12 LEU 40 2HD1 LEU 40 -2.803 -5.968 -0.057 319 HD13 LEU 40 3HD1 LEU 40 -2.080 -6.544 1.446 320 HD21 LEU 40 3HD2 LEU 40 -0.393 -4.509 1.164 321 HD22 LEU 40 1HD2 LEU 40 -1.185 -4.123 -0.367 322 HD23 LEU 40 2HD2 LEU 40 0.547 -4.436 -0.329 323 H ASN 41 H ASN 41 1.312 -9.765 2.103 324 HA ASN 41 HA ASN 41 -1.136 -10.581 3.279 325 HB2 ASN 41 2HB ASN 41 -1.235 -12.255 1.510 326 HB3 ASN 41 1HB ASN 41 0.429 -12.747 1.809 327 HD21 ASN 41 1HD2 ASN 41 -2.828 -12.706 3.193 328 HD22 ASN 41 2HD2 ASN 41 -2.589 -14.061 4.241 329 H SER 42 H SER 42 2.290 -11.668 2.969 330 HA SER 42 HA SER 42 2.672 -11.106 5.816 331 HB2 SER 42 3HB SER 42 1.958 -13.430 5.891 332 HB3 SER 42 2HB SER 42 3.081 -13.852 4.604 333 H MET 43 H MET 43 4.827 -13.158 3.921 334 HA MET 43 HA MET 43 7.180 -11.817 4.364 335 HB2 MET 43 2HB MET 43 8.011 -13.030 2.290 336 HB3 MET 43 1HB MET 43 7.223 -14.050 3.483 337 HG2 MET 43 2HG MET 43 5.675 -12.926 1.169 338 HG3 MET 43 1HG MET 43 6.624 -14.408 1.002 339 HE1 MET 43 3HE MET 43 2.416 -14.636 1.904 340 HE2 MET 43 1HE MET 43 3.415 -14.360 0.477 341 HE3 MET 43 2HE MET 43 3.195 -13.073 1.669 342 H ASN 44 H ASN 44 4.736 -11.000 2.118 343 HA ASN 44 HA ASN 44 6.426 -9.089 0.626 344 HB2 ASN 44 2HB ASN 44 4.439 -9.121 -0.996 345 HB3 ASN 44 1HB ASN 44 5.349 -10.616 -0.849 346 HD21 ASN 44 1HD2 ASN 44 3.072 -11.042 -1.987 347 HD22 ASN 44 2HD2 ASN 44 1.879 -11.702 -0.920 348 H ILE 45 H ILE 45 3.750 -9.192 2.931 349 HA ILE 45 HA ILE 45 2.701 -6.579 2.304 350 HB ILE 45 HB ILE 45 1.440 -8.527 3.451 351 HG12 ILE 45 2HG1 ILE 45 0.980 -5.855 4.826 352 HG13 ILE 45 1HG1 ILE 45 0.614 -6.080 3.118 353 HG21 ILE 45 1HG2 ILE 45 1.352 -8.548 5.904 354 HG22 ILE 45 2HG2 ILE 45 2.619 -7.326 5.975 355 HG23 ILE 45 3HG2 ILE 45 2.981 -8.929 5.342 356 HD11 ILE 45 3HD1 ILE 45 -0.984 -7.789 3.629 357 HD12 ILE 45 1HD1 ILE 45 -1.345 -6.354 4.594 358 HD13 ILE 45 2HD1 ILE 45 -0.552 -7.750 5.343 359 H VAL 46 H VAL 46 5.207 -7.765 4.365 360 HA VAL 46 HA VAL 46 5.368 -5.528 6.152 361 HB VAL 46 HB VAL 46 7.516 -7.628 5.626 362 HG11 VAL 46 1HG1 VAL 46 6.967 -5.911 8.081 363 HG12 VAL 46 2HG1 VAL 46 8.311 -5.706 6.955 364 HG13 VAL 46 3HG1 VAL 46 8.214 -7.156 7.954 365 HG21 VAL 46 3HG2 VAL 46 5.239 -7.761 7.644 366 HG22 VAL 46 1HG2 VAL 46 6.513 -8.963 7.421 367 HG23 VAL 46 2HG2 VAL 46 5.316 -8.690 6.151 368 H LYS 47 H LYS 47 6.550 -6.205 2.990 369 HA LYS 47 HA LYS 47 8.591 -4.253 2.749 370 HB2 LYS 47 2HB LYS 47 6.871 -5.734 0.753 371 HB3 LYS 47 1HB LYS 47 7.839 -4.377 0.200 372 HG2 LYS 47 2HG LYS 47 9.045 -6.444 -0.190 373 HG3 LYS 47 1HG LYS 47 9.876 -5.476 1.030 374 HD2 LYS 47 2HD LYS 47 8.873 -6.897 2.817 375 HD3 LYS 47 1HD LYS 47 8.095 -7.880 1.572 376 HE2 LYS 47 2HE LYS 47 11.084 -7.546 1.993 377 HE3 LYS 47 1HE LYS 47 10.128 -8.978 2.378 378 HZ1 LYS 47 3HZ LYS 47 9.610 -9.180 0.003 379 HZ2 LYS 47 1HZ LYS 47 11.272 -9.283 0.312 380 HZ3 LYS 47 2HZ LYS 47 10.617 -7.863 -0.325 381 H LEU 48 H LEU 48 5.077 -4.084 2.517 382 HA LEU 48 HA LEU 48 4.959 -1.367 1.569 383 HB2 LEU 48 2HB LEU 48 2.868 -3.162 2.857 384 HB3 LEU 48 1HB LEU 48 2.527 -1.489 2.450 385 HG LEU 48 HG LEU 48 1.641 -2.879 0.698 386 HD11 LEU 48 1HD1 LEU 48 2.760 -1.962 -1.298 387 HD12 LEU 48 2HD1 LEU 48 4.157 -1.499 -0.331 388 HD13 LEU 48 3HD1 LEU 48 2.591 -0.732 -0.049 389 HD21 LEU 48 3HD2 LEU 48 2.983 -4.403 -0.685 390 HD22 LEU 48 1HD2 LEU 48 3.001 -4.906 1.005 391 HD23 LEU 48 2HD2 LEU 48 4.404 -4.088 0.313 392 H MET 49 H MET 49 5.061 -2.891 4.739 393 HA MET 49 HA MET 49 4.397 -0.632 6.337 394 HB2 MET 49 2HB MET 49 6.272 -2.907 7.118 395 HB3 MET 49 1HB MET 49 5.441 -1.814 8.217 396 HG2 MET 49 2HG MET 49 3.308 -2.768 7.621 397 HG3 MET 49 1HG MET 49 4.078 -3.800 6.406 398 HE1 MET 49 3HE MET 49 3.472 -6.671 8.821 399 HE2 MET 49 1HE MET 49 3.621 -6.173 7.138 400 HE3 MET 49 2HE MET 49 2.377 -5.458 8.166 401 H VAL 50 H VAL 50 7.575 -2.038 5.481 402 HA VAL 50 HA VAL 50 9.148 0.067 6.584 403 HB VAL 50 HB VAL 50 10.037 -2.235 6.209 404 HG11 VAL 50 1HG1 VAL 50 10.857 -2.925 3.971 405 HG12 VAL 50 2HG1 VAL 50 10.083 -1.504 3.257 406 HG13 VAL 50 3HG1 VAL 50 9.101 -2.761 4.020 407 HG21 VAL 50 3HG2 VAL 50 11.638 -0.409 6.574 408 HG22 VAL 50 1HG2 VAL 50 11.683 -0.077 4.840 409 HG23 VAL 50 2HG2 VAL 50 12.313 -1.602 5.466 410 H TYR 51 H TYR 51 7.667 -0.386 3.420 411 HA TYR 51 HA TYR 51 9.104 1.541 1.932 412 HB2 TYR 51 2HB TYR 51 7.430 -0.110 0.922 413 HB3 TYR 51 1HB TYR 51 6.143 0.903 1.549 414 HD1 TYR 51 HD1 TYR 51 9.180 1.055 -0.655 415 HD2 TYR 51 HD2 TYR 51 5.340 2.735 0.215 416 HE1 TYR 51 HE1 TYR 51 9.327 2.457 -2.671 417 HE2 TYR 51 HE2 TYR 51 5.496 4.116 -1.799 418 HH TYR 51 HH TYR 51 7.358 5.089 -3.220 419 H ILE 52 H ILE 52 5.931 1.801 3.466 420 HA ILE 52 HA ILE 52 5.548 4.590 3.014 421 HB ILE 52 HB ILE 52 4.121 2.623 4.859 422 HG12 ILE 52 2HG1 ILE 52 3.239 3.564 2.094 423 HG13 ILE 52 1HG1 ILE 52 4.197 2.107 2.332 424 HG21 ILE 52 1HG2 ILE 52 3.635 4.920 5.551 425 HG22 ILE 52 2HG2 ILE 52 2.206 4.175 4.832 426 HG23 ILE 52 3HG2 ILE 52 3.161 5.332 3.904 427 HD11 ILE 52 3HD1 ILE 52 1.437 2.602 3.438 428 HD12 ILE 52 1HD1 ILE 52 2.408 1.142 3.664 429 HD13 ILE 52 2HD1 ILE 52 1.860 1.594 2.052 430 H ARG 53 H ARG 53 6.816 2.714 5.660 431 HA ARG 53 HA ARG 53 7.059 4.520 7.760 432 HB2 ARG 53 2HB ARG 53 7.507 2.128 7.928 433 HB3 ARG 53 1HB ARG 53 8.909 2.288 6.878 434 HG2 ARG 53 2HG ARG 53 10.104 3.543 8.603 435 HG3 ARG 53 1HG ARG 53 8.681 3.515 9.650 436 HD2 ARG 53 2HD ARG 53 8.801 1.002 9.655 437 HD3 ARG 53 1HD ARG 53 10.298 1.116 8.727 438 HE ARG 53 HE ARG 53 11.253 2.330 10.655 439 HH11 ARG 53 1HH1 ARG 53 8.503 0.217 11.215 440 HH12 ARG 53 2HH1 ARG 53 8.889 -0.034 12.889 441 HH21 ARG 53 1HH2 ARG 53 11.723 2.048 12.831 442 HH22 ARG 53 2HH2 ARG 53 10.734 1.013 13.815 443 H ASP 54 H ASP 54 9.158 4.065 4.978 444 HA ASP 54 HA ASP 54 11.045 6.184 5.724 445 HB2 ASP 54 2HB ASP 54 11.865 4.120 4.636 446 HB3 ASP 54 1HB ASP 54 10.783 4.373 3.271 447 H GLU 55 H GLU 55 8.711 5.498 3.219 448 HA GLU 55 HA GLU 55 9.043 7.614 1.469 449 HB2 GLU 55 2HB GLU 55 8.005 5.467 0.913 450 HB3 GLU 55 1HB GLU 55 6.670 5.800 2.003 451 HG2 GLU 55 2HG GLU 55 5.974 6.085 -0.279 452 HG3 GLU 55 1HG GLU 55 5.935 7.633 0.554 453 H MET 56 H MET 56 6.310 7.155 3.722 454 HA MET 56 HA MET 56 5.761 10.075 3.680 455 HB2 MET 56 2HB MET 56 3.965 7.648 3.957 456 HB3 MET 56 1HB MET 56 3.428 9.209 4.559 457 HG2 MET 56 2HG MET 56 3.426 10.171 2.408 458 HG3 MET 56 1HG MET 56 4.371 8.856 1.713 459 HE1 MET 56 3HE MET 56 3.415 6.707 0.739 460 HE2 MET 56 1HE MET 56 1.870 6.001 1.220 461 HE3 MET 56 2HE MET 56 3.165 6.180 2.405 462 H GLY 57 H GLY 57 7.410 8.003 5.485 463 HA2 GLY 57 2HA GLY 57 8.341 8.173 7.562 464 HA3 GLY 57 1HA GLY 57 7.537 9.723 7.744 465 H VAL 58 H VAL 58 5.741 6.750 7.167 466 HA VAL 58 HA VAL 58 4.917 6.618 9.986 467 HB VAL 58 HB VAL 58 3.268 8.122 9.034 468 HG11 VAL 58 1HG1 VAL 58 2.759 6.082 6.854 469 HG12 VAL 58 2HG1 VAL 58 3.568 7.636 6.647 470 HG13 VAL 58 3HG1 VAL 58 1.858 7.583 7.090 471 HG21 VAL 58 3HG2 VAL 58 2.020 5.368 9.280 472 HG22 VAL 58 1HG2 VAL 58 1.162 6.905 9.408 473 HG23 VAL 58 2HG2 VAL 58 2.373 6.466 10.614 474 H SER 59 H SER 59 5.235 4.597 10.620 475 HA SER 59 HA SER 59 4.993 2.328 8.770 476 HB2 SER 59 2HB SER 59 6.998 2.579 10.336 477 HB3 SER 59 1HB SER 59 5.906 2.318 11.691 478 HG SER 59 HG SER 59 5.595 0.255 11.052 479 H ILE 60 H ILE 60 3.105 1.276 8.709 480 HA ILE 60 HA ILE 60 0.903 1.839 10.408 481 HB ILE 60 HB ILE 60 1.248 -0.541 8.517 482 HG12 ILE 60 2HG1 ILE 60 0.109 2.248 8.084 483 HG13 ILE 60 1HG1 ILE 60 1.396 1.461 7.183 484 HG21 ILE 60 1HG2 ILE 60 -1.305 0.565 9.769 485 HG22 ILE 60 2HG2 ILE 60 -0.511 -0.948 10.212 486 HG23 ILE 60 3HG2 ILE 60 -1.213 -0.765 8.608 487 HD11 ILE 60 3HD1 ILE 60 -0.213 -0.042 6.169 488 HD12 ILE 60 1HD1 ILE 60 -0.696 1.638 5.927 489 HD13 ILE 60 2HD1 ILE 60 -1.511 0.654 7.150 490 HA PRO 61 HA PRO 61 2.261 -0.813 13.872 491 HB2 PRO 61 2HB PRO 61 -0.085 -0.627 15.364 492 HB3 PRO 61 1HB PRO 61 1.150 0.647 15.319 493 HG2 PRO 61 2HG PRO 61 -1.396 0.461 13.752 494 HG3 PRO 61 1HG PRO 61 -0.707 1.851 14.626 495 HD2 PRO 61 2HD PRO 61 -0.450 1.636 11.962 496 HD3 PRO 61 1HD PRO 61 0.874 2.292 12.954 497 H SER 62 H SER 62 1.633 -2.888 14.820 498 HA SER 62 HA SER 62 0.926 -4.750 12.830 499 HB2 SER 62 2HB SER 62 1.194 -6.442 14.619 500 HB3 SER 62 1HB SER 62 2.515 -5.276 14.618 501 HG SER 62 HG SER 62 2.038 -5.126 16.662 502 H THR 63 H THR 63 -0.925 -3.276 15.410 503 HA THR 63 HA THR 63 -3.256 -4.857 15.367 504 HB THR 63 HB THR 63 -2.799 -3.278 17.187 505 HG1 THR 63 HG1 THR 63 -4.935 -3.726 17.035 506 HG21 THR 63 3HG2 THR 63 -3.337 -1.055 15.188 507 HG22 THR 63 1HG2 THR 63 -1.763 -1.451 15.883 508 HG23 THR 63 2HG2 THR 63 -3.059 -0.849 16.920 509 H HIS 64 H HIS 64 -2.202 -2.221 13.301 510 HA HIS 64 HA HIS 64 -4.722 -2.187 11.770 511 HB2 HIS 64 2HB HIS 64 -2.401 -0.260 11.968 512 HB3 HIS 64 1HB HIS 64 -3.562 -0.161 10.648 513 HD1 HIS 64 HD1 HIS 64 -5.771 -1.074 13.171 514 HD2 HIS 64 HD2 HIS 64 -3.573 2.382 12.496 515 HE1 HIS 64 HE1 HIS 64 -7.026 0.763 14.345 516 HE2 HIS 64 HE2 HIS 64 -5.601 2.820 14.032 517 H ILE 65 H ILE 65 -1.915 -3.945 11.658 518 HA ILE 65 HA ILE 65 -1.762 -4.182 8.773 519 HB ILE 65 HB ILE 65 -0.749 -6.151 10.872 520 HG12 ILE 65 2HG1 ILE 65 0.405 -4.033 11.177 521 HG13 ILE 65 1HG1 ILE 65 1.513 -5.145 10.388 522 HG21 ILE 65 1HG2 ILE 65 -0.127 -5.967 7.892 523 HG22 ILE 65 2HG2 ILE 65 -1.054 -7.236 8.696 524 HG23 ILE 65 3HG2 ILE 65 0.663 -7.054 9.039 525 HD11 ILE 65 3HD1 ILE 65 1.120 -4.043 8.257 526 HD12 ILE 65 1HD1 ILE 65 1.652 -2.893 9.485 527 HD13 ILE 65 2HD1 ILE 65 -0.047 -2.961 9.019 528 H THR 66 H THR 66 -3.729 -4.570 7.992 529 HA THR 66 HA THR 66 -4.876 -7.190 8.387 530 HB THR 66 HB THR 66 -6.051 -5.984 10.143 531 HG1 THR 66 HG1 THR 66 -8.141 -6.428 9.496 532 HG21 THR 66 3HG2 THR 66 -5.724 -3.671 9.349 533 HG22 THR 66 1HG2 THR 66 -7.418 -3.984 9.737 534 HG23 THR 66 2HG2 THR 66 -6.893 -3.945 8.054 535 H GLY 67 H GLY 67 -6.679 -7.559 6.843 536 HA2 GLY 67 2HA GLY 67 -5.762 -7.172 4.230 537 HA3 GLY 67 1HA GLY 67 -7.314 -7.846 4.692 538 H LYS 68 H LYS 68 -8.533 -5.704 5.923 539 HA LYS 68 HA LYS 68 -9.553 -4.295 3.691 540 HB2 LYS 68 2HB LYS 68 -10.914 -3.066 5.353 541 HB3 LYS 68 1HB LYS 68 -10.955 -4.810 5.585 542 HG2 LYS 68 2HG LYS 68 -9.419 -4.660 7.464 543 HG3 LYS 68 1HG LYS 68 -9.210 -2.927 7.210 544 HD2 LYS 68 2HD LYS 68 -11.794 -4.318 8.000 545 HD3 LYS 68 1HD LYS 68 -10.751 -3.395 9.083 546 HE2 LYS 68 2HE LYS 68 -11.187 -1.365 7.699 547 HE3 LYS 68 1HE LYS 68 -12.307 -2.308 6.714 548 HZ1 LYS 68 3HZ LYS 68 -12.573 -1.643 9.592 549 HZ2 LYS 68 1HZ LYS 68 -13.587 -2.733 8.784 550 HZ3 LYS 68 2HZ LYS 68 -13.540 -1.108 8.320 551 H TYR 69 H TYR 69 -6.919 -3.522 5.824 552 HA TYR 69 HA TYR 69 -6.890 -0.667 5.185 553 HB2 TYR 69 2HB TYR 69 -5.261 -2.424 7.038 554 HB3 TYR 69 1HB TYR 69 -4.685 -0.816 6.608 555 HD1 TYR 69 HD2 TYR 69 -8.327 -1.492 7.095 556 HD2 TYR 69 HD1 TYR 69 -4.766 0.013 8.909 557 HE1 TYR 69 HE2 TYR 69 -9.661 -0.516 8.898 558 HE2 TYR 69 HE1 TYR 69 -6.101 0.992 10.708 559 HH TYR 69 HH TYR 69 -9.290 0.175 11.300 560 H PHE 70 H PHE 70 -5.518 -3.568 3.984 561 HA PHE 70 HA PHE 70 -3.637 -2.089 2.208 562 HB2 PHE 70 2HB PHE 70 -3.495 -4.919 3.326 563 HB3 PHE 70 1HB PHE 70 -2.493 -4.380 1.986 564 HD1 PHE 70 HD1 PHE 70 -0.767 -2.598 2.338 565 HD2 PHE 70 HD2 PHE 70 -2.916 -4.296 5.619 566 HE1 PHE 70 HE1 PHE 70 0.938 -1.764 3.892 567 HE2 PHE 70 HE2 PHE 70 -1.203 -3.459 7.165 568 HZ PHE 70 HZ PHE 70 0.727 -2.187 6.301 569 H LYS 71 H LYS 71 -6.593 -2.835 1.996 570 HA LYS 71 HA LYS 71 -6.986 -5.097 0.428 571 HB2 LYS 71 2HB LYS 71 -8.599 -3.875 1.976 572 HB3 LYS 71 1HB LYS 71 -8.843 -2.709 0.681 573 HG2 LYS 71 2HG LYS 71 -9.789 -4.399 -0.740 574 HG3 LYS 71 1HG LYS 71 -9.371 -5.667 0.418 575 HD2 LYS 71 2HD LYS 71 -11.798 -5.050 0.517 576 HD3 LYS 71 1HD LYS 71 -10.965 -4.783 2.049 577 HE2 LYS 71 2HE LYS 71 -12.552 -2.954 1.419 578 HE3 LYS 71 1HE LYS 71 -10.896 -2.392 1.658 579 HZ1 LYS 71 3HZ LYS 71 -11.943 -1.431 -0.309 580 HZ2 LYS 71 1HZ LYS 71 -12.138 -2.971 -0.983 581 HZ3 LYS 71 2HZ LYS 71 -10.585 -2.344 -0.715 582 H ASP 72 H ASP 72 -6.361 -1.800 -0.431 583 HA ASP 72 HA ASP 72 -5.538 -2.289 -3.066 584 HB2 ASP 72 2HB ASP 72 -7.295 -1.013 -4.326 585 HB3 ASP 72 1HB ASP 72 -7.923 -2.504 -3.636 586 H LEU 73 H LEU 73 -5.744 0.203 -4.185 587 HA LEU 73 HA LEU 73 -3.774 1.639 -2.742 588 HB2 LEU 73 2HB LEU 73 -3.944 1.734 -5.211 589 HB3 LEU 73 1HB LEU 73 -5.480 2.575 -5.072 590 HG LEU 73 HG LEU 73 -4.245 4.461 -3.879 591 HD11 LEU 73 1HD1 LEU 73 -1.795 4.576 -4.157 592 HD12 LEU 73 2HD1 LEU 73 -1.790 2.938 -4.807 593 HD13 LEU 73 3HD1 LEU 73 -2.278 3.227 -3.133 594 HD21 LEU 73 3HD2 LEU 73 -3.294 5.424 -5.954 595 HD22 LEU 73 1HD2 LEU 73 -4.886 4.714 -6.210 596 HD23 LEU 73 2HD2 LEU 73 -3.443 3.849 -6.740 597 H ASN 74 H ASN 74 -7.268 2.190 -3.170 598 HA ASN 74 HA ASN 74 -7.378 4.712 -1.795 599 HB2 ASN 74 2HB ASN 74 -9.636 2.707 -2.266 600 HB3 ASN 74 1HB ASN 74 -9.838 4.395 -1.798 601 HD21 ASN 74 1HD2 ASN 74 -10.884 2.985 -4.103 602 HD22 ASN 74 2HD2 ASN 74 -10.292 3.820 -5.499 603 H ALA 75 H ALA 75 -7.724 1.336 -0.813 604 HA ALA 75 HA ALA 75 -8.581 1.743 1.861 605 HB1 ALA 75 3HB ALA 75 -6.940 -0.533 0.707 606 HB2 ALA 75 1HB ALA 75 -8.705 -0.442 0.742 607 HB3 ALA 75 2HB ALA 75 -7.795 -0.563 2.249 608 H ILE 76 H ILE 76 -5.306 1.321 0.513 609 HA ILE 76 HA ILE 76 -3.836 1.845 2.916 610 HB ILE 76 HB ILE 76 -2.996 1.948 -0.017 611 HG12 ILE 76 2HG1 ILE 76 -2.472 -0.081 2.191 612 HG13 ILE 76 1HG1 ILE 76 -3.564 -0.309 0.827 613 HG21 ILE 76 1HG2 ILE 76 -1.519 3.485 1.251 614 HG22 ILE 76 2HG2 ILE 76 -0.633 2.054 0.721 615 HG23 ILE 76 3HG2 ILE 76 -1.157 2.194 2.399 616 HD11 ILE 76 3HD1 ILE 76 -1.608 -0.244 -0.685 617 HD12 ILE 76 1HD1 ILE 76 -1.541 -1.546 0.507 618 HD13 ILE 76 2HD1 ILE 76 -0.561 -0.098 0.735 619 H SER 77 H SER 77 -5.186 3.910 0.402 620 HA SER 77 HA SER 77 -3.728 6.277 1.025 621 HB2 SER 77 2HB SER 77 -4.940 6.018 -1.134 622 HB3 SER 77 1HB SER 77 -6.480 6.026 -0.277 623 HG SER 77 HG SER 77 -4.845 8.175 0.280 624 H ARG 78 H ARG 78 -6.900 5.047 2.089 625 HA ARG 78 HA ARG 78 -7.476 7.279 3.786 626 HB2 ARG 78 2HB ARG 78 -8.629 4.468 3.777 627 HB3 ARG 78 1HB ARG 78 -9.237 5.776 4.785 628 HG2 ARG 78 2HG ARG 78 -9.412 5.481 1.786 629 HG3 ARG 78 1HG ARG 78 -10.716 5.653 2.957 630 HD2 ARG 78 2HD ARG 78 -8.816 7.785 1.952 631 HD3 ARG 78 1HD ARG 78 -10.572 7.730 1.803 632 HE ARG 78 HE ARG 78 -10.341 7.864 4.454 633 HH11 ARG 78 1HH1 ARG 78 -8.643 9.702 1.988 634 HH12 ARG 78 2HH1 ARG 78 -8.438 11.103 2.991 635 HH21 ARG 78 1HH2 ARG 78 -10.038 9.728 5.774 636 HH22 ARG 78 2HH2 ARG 78 -9.223 11.116 5.124 637 H THR 79 H THR 79 -5.950 4.135 4.302 638 HA THR 79 HA THR 79 -5.845 4.225 7.135 639 HB THR 79 HB THR 79 -4.080 2.694 5.181 640 HG1 THR 79 HG1 THR 79 -5.767 1.446 5.036 641 HG21 THR 79 3HG2 THR 79 -3.587 1.190 7.099 642 HG22 THR 79 1HG2 THR 79 -4.453 2.281 8.180 643 HG23 THR 79 2HG2 THR 79 -2.967 2.816 7.389 644 H VAL 80 H VAL 80 -3.536 5.185 4.630 645 HA VAL 80 HA VAL 80 -1.436 5.829 6.463 646 HB VAL 80 HB VAL 80 -1.113 5.112 4.023 647 HG11 VAL 80 1HG1 VAL 80 -1.750 8.023 3.394 648 HG12 VAL 80 2HG1 VAL 80 -2.717 6.620 2.926 649 HG13 VAL 80 3HG1 VAL 80 -1.090 6.834 2.270 650 HG21 VAL 80 3HG2 VAL 80 0.909 6.485 3.701 651 HG22 VAL 80 1HG2 VAL 80 0.742 5.948 5.371 652 HG23 VAL 80 2HG2 VAL 80 0.353 7.614 4.939 653 H GLU 81 H GLU 81 -4.037 7.658 4.884 654 HA GLU 81 HA GLU 81 -3.162 10.270 5.641 655 HB2 GLU 81 2HB GLU 81 -5.886 9.170 4.863 656 HB3 GLU 81 1HB GLU 81 -5.681 10.857 5.304 657 HG2 GLU 81 2HG GLU 81 -4.265 9.476 3.008 658 HG3 GLU 81 1HG GLU 81 -5.704 10.464 2.852 659 H GLN 82 H GLN 82 -5.416 7.929 7.142 660 HA GLN 82 HA GLN 82 -6.209 9.668 9.272 661 HB2 GLN 82 2HB GLN 82 -7.429 7.833 10.204 662 HB3 GLN 82 1HB GLN 82 -7.588 7.714 8.462 663 HG2 GLN 82 2HG GLN 82 -5.900 5.910 8.434 664 HG3 GLN 82 1HG GLN 82 -5.744 6.032 10.185 665 HE21 GLN 82 1HE2 GLN 82 -6.357 3.889 10.501 666 HE22 GLN 82 2HE2 GLN 82 -7.976 3.325 10.274 667 H LEU 83 H LEU 83 -3.641 7.267 8.944 668 HA LEU 83 HA LEU 83 -2.841 7.221 11.688 669 HB2 LEU 83 2HB LEU 83 -1.415 6.455 9.129 670 HB3 LEU 83 1HB LEU 83 -0.641 6.309 10.702 671 HG LEU 83 HG LEU 83 -3.188 4.853 9.873 672 HD11 LEU 83 1HD1 LEU 83 -1.786 2.839 9.840 673 HD12 LEU 83 2HD1 LEU 83 -0.353 3.807 10.193 674 HD13 LEU 83 3HD1 LEU 83 -1.212 4.022 8.663 675 HD21 LEU 83 3HD2 LEU 83 -3.155 5.293 12.283 676 HD22 LEU 83 1HD2 LEU 83 -1.515 4.646 12.407 677 HD23 LEU 83 2HD2 LEU 83 -2.855 3.587 11.975 678 H LYS 84 H LYS 84 -1.638 9.015 8.855 679 HA LYS 84 HA LYS 84 0.314 10.525 10.298 680 HB2 LYS 84 2HB LYS 84 -1.059 11.127 7.641 681 HB3 LYS 84 1HB LYS 84 0.290 12.055 8.285 682 HG2 LYS 84 2HG LYS 84 1.704 10.027 8.192 683 HG3 LYS 84 1HG LYS 84 0.360 9.135 7.487 684 HD2 LYS 84 2HD LYS 84 1.722 11.549 6.216 685 HD3 LYS 84 1HD LYS 84 2.039 9.870 5.802 686 HE2 LYS 84 2HE LYS 84 0.600 10.713 4.099 687 HE3 LYS 84 1HE LYS 84 -0.411 9.694 5.124 688 HZ1 LYS 84 3HZ LYS 84 -1.401 11.581 6.099 689 HZ2 LYS 84 1HZ LYS 84 -1.405 11.861 4.424 690 HZ3 LYS 84 2HZ LYS 84 -0.266 12.647 5.444 691 H ALA 85 H ALA 85 -3.113 10.774 10.025 692 HA ALA 85 HA ALA 85 -3.373 13.534 10.841 693 HB1 ALA 85 3HB ALA 85 -5.763 13.053 10.948 694 HB2 ALA 85 1HB ALA 85 -5.453 11.318 10.826 695 HB3 ALA 85 2HB ALA 85 -5.091 12.382 9.460 696 H GLU 86 H GLU 86 -3.621 10.341 12.462 697 HA GLU 86 HA GLU 86 -4.284 11.440 15.049 698 HB2 GLU 86 2HB GLU 86 -3.106 8.699 14.446 699 HB3 GLU 86 1HB GLU 86 -3.933 9.192 15.914 700 HG2 GLU 86 2HG GLU 86 -5.116 8.653 13.194 701 HG3 GLU 86 1HG GLU 86 -5.475 7.862 14.711 702 H SER 87 H SER 87 -1.357 10.348 13.453 703 HA SER 87 HA SER 87 0.442 10.863 15.629 704 HB2 SER 87 2HB SER 87 1.030 10.408 12.675 705 HB3 SER 87 1HB SER 87 2.223 10.362 13.978 706 HG SER 87 HG SER 87 0.311 8.503 13.238 707 H ALA 88 H ALA 88 -1.095 12.929 13.385 708 HA ALA 88 HA ALA 88 0.884 14.869 12.840 709 HB1 ALA 88 3HB ALA 88 -0.959 16.362 12.238 710 HB2 ALA 88 1HB ALA 88 -2.117 15.286 13.028 711 HB3 ALA 88 2HB ALA 88 -1.227 14.740 11.609 712 H LEU 89 H LEU 89 1.712 16.473 13.978 713 HA LEU 89 HA LEU 89 1.220 16.787 16.782 714 HB2 LEU 89 2HB LEU 89 3.064 18.284 16.804 715 HB3 LEU 89 1HB LEU 89 3.480 16.970 15.731 716 HG LEU 89 HG LEU 89 2.545 19.693 14.721 717 HD11 LEU 89 1HD1 LEU 89 4.891 20.250 14.342 718 HD12 LEU 89 2HD1 LEU 89 5.401 18.715 15.043 719 HD13 LEU 89 3HD1 LEU 89 4.620 19.932 16.053 720 HD21 LEU 89 3HD2 LEU 89 2.303 17.859 13.085 721 HD22 LEU 89 1HD2 LEU 89 4.011 17.443 13.289 722 HD23 LEU 89 2HD2 LEU 89 3.552 18.999 12.587 723 H GLU 90 H GLU 90 -0.591 17.905 14.340 724 HA GLU 90 HA GLU 90 -0.832 20.639 14.415 725 HB2 GLU 90 2HB GLU 90 -3.073 18.645 13.895 726 HB3 GLU 90 1HB GLU 90 -3.035 20.316 13.356 727 HG2 GLU 90 2HG GLU 90 -1.309 18.026 12.413 728 HG3 GLU 90 1HG GLU 90 -2.500 18.929 11.482 729 H281 4EM 101 2H28 PYA 142 3.287 -10.757 7.494 730 H283 4EM 101 3H28 PYA 142 4.643 -10.174 8.451 731 H303 4EM 101 3H30 PYA 142 1.038 -11.051 8.534 732 H301 4EM 101 1H30 PYA 142 0.843 -10.951 10.300 733 H302 4EM 101 2H30 PYA 142 1.723 -12.298 9.566 734 H312 4EM 101 2H31 PYA 142 2.014 -8.816 8.440 735 H313 4EM 101 3H31 PYA 142 1.793 -8.666 10.180 736 H311 4EM 101 1H31 PYA 142 3.383 -8.367 9.469 737 H32 4EM 101 H32 PYA 142 3.929 -11.664 11.013 738 H33 4EM 101 H33 PYA 142 5.046 -9.900 11.967 739 H36 4EM 101 H36 PYA 142 2.700 -8.445 12.057 740 H373 4EM 101 3H37 PYA 142 1.124 -9.700 14.184 741 H372 4EM 101 2H37 PYA 142 1.287 -7.958 13.884 742 H382 4EM 101 2H38 PYA 142 -0.107 -9.866 11.979 743 H383 4EM 101 3H38 PYA 142 -0.053 -8.113 11.869 744 H41 4EM 101 H41 PYA 142 -2.039 -9.775 11.559 745 H423 4EM 101 3H42 PYA 142 -4.316 -8.672 12.084 746 H422 4EM 101 2H42 PYA 142 -4.092 -9.579 13.581 747 H433 4EM 101 3H43 PYA 142 -5.379 -10.845 11.783 748 H432 4EM 101 2H43 PYA 142 -3.914 -11.667 12.342 749 H44 4EM 101 H44 PYA 142 -3.191 -11.548 10.365 750 H49 4EM 101 H49 PYA 142 -2.894 -8.057 7.858 751 H51 4EM 101 H51 PYA 142 -1.314 -9.335 6.205 752 H50 4EM 101 H50 PYA 142 -1.683 -11.888 6.545 753 H48 4EM 101 H48 PYA 142 -3.326 -12.136 8.498 Start of MODEL 17 1 H1 MET 1 1H MET 1 4.711 14.721 -1.614 2 H2 MET 1 2H MET 1 4.362 14.503 0.021 3 H3 MET 1 3H MET 1 5.756 15.339 -0.444 4 HA MET 1 HA MET 1 4.069 16.859 0.316 5 HB2 MET 1 2HB MET 1 5.669 17.574 -1.423 6 HB3 MET 1 1HB MET 1 4.597 16.975 -2.681 7 HG2 MET 1 2HG MET 1 2.928 18.677 -2.080 8 HG3 MET 1 1HG MET 1 3.986 19.260 -0.788 9 HE1 MET 1 3HE MET 1 4.193 22.127 -3.499 10 HE2 MET 1 1HE MET 1 3.874 21.770 -1.802 11 HE3 MET 1 2HE MET 1 2.786 21.166 -3.052 12 H ASP 2 H ASP 2 2.950 15.638 -2.888 13 HA ASP 2 HA ASP 2 0.154 15.938 -2.083 14 HB2 ASP 2 2HB ASP 2 1.421 15.012 -4.710 15 HB3 ASP 2 1HB ASP 2 -0.318 15.106 -4.446 16 H GLY 3 H GLY 3 -1.335 14.207 -2.060 17 HA2 GLY 3 2HA GLY 3 -0.480 11.649 -1.158 18 HA3 GLY 3 1HA GLY 3 -2.116 12.117 -1.614 19 H GLU 4 H GLU 4 -1.644 12.907 -4.238 20 HA GLU 4 HA GLU 4 -2.012 10.408 -5.544 21 HB2 GLU 4 2HB GLU 4 -1.644 13.162 -6.774 22 HB3 GLU 4 1HB GLU 4 -2.253 11.730 -7.601 23 HG2 GLU 4 2HG GLU 4 -4.146 13.034 -7.073 24 HG3 GLU 4 1HG GLU 4 -4.167 11.682 -5.947 25 H GLU 5 H GLU 5 0.609 12.631 -5.306 26 HA GLU 5 HA GLU 5 2.456 11.734 -7.168 27 HB2 GLU 5 2HB GLU 5 2.483 13.811 -5.697 28 HB3 GLU 5 1HB GLU 5 3.040 12.807 -4.371 29 HG2 GLU 5 2HG GLU 5 4.523 13.164 -6.987 30 HG3 GLU 5 1HG GLU 5 4.796 14.152 -5.560 31 H VAL 6 H VAL 6 2.067 10.770 -3.726 32 HA VAL 6 HA VAL 6 4.001 8.632 -3.970 33 HB VAL 6 HB VAL 6 3.501 8.058 -1.628 34 HG11 VAL 6 1HG1 VAL 6 4.300 10.112 -0.560 35 HG12 VAL 6 2HG1 VAL 6 3.896 11.044 -2.004 36 HG13 VAL 6 3HG1 VAL 6 5.159 9.813 -2.074 37 HG21 VAL 6 3HG2 VAL 6 1.083 8.535 -1.572 38 HG22 VAL 6 1HG2 VAL 6 1.405 10.266 -1.710 39 HG23 VAL 6 2HG2 VAL 6 1.922 9.379 -0.272 40 H LYS 7 H LYS 7 0.536 8.888 -4.275 41 HA LYS 7 HA LYS 7 -0.183 6.252 -3.566 42 HB2 LYS 7 2HB LYS 7 -1.591 8.363 -5.217 43 HB3 LYS 7 1HB LYS 7 -2.262 6.738 -5.114 44 HG2 LYS 7 2HG LYS 7 -2.250 7.023 -2.573 45 HG3 LYS 7 1HG LYS 7 -1.877 8.724 -2.856 46 HD2 LYS 7 2HD LYS 7 -4.345 7.236 -3.819 47 HD3 LYS 7 1HD LYS 7 -4.288 8.435 -2.534 48 HE2 LYS 7 2HE LYS 7 -3.702 10.171 -4.164 49 HE3 LYS 7 1HE LYS 7 -3.706 8.975 -5.460 50 HZ1 LYS 7 3HZ LYS 7 -5.762 10.252 -5.376 51 HZ2 LYS 7 1HZ LYS 7 -6.065 9.710 -3.805 52 HZ3 LYS 7 2HZ LYS 7 -6.055 8.613 -5.092 53 H GLU 8 H GLU 8 0.479 7.655 -6.791 54 HA GLU 8 HA GLU 8 0.084 5.201 -8.196 55 HB2 GLU 8 2HB GLU 8 1.079 6.286 -10.126 56 HB3 GLU 8 1HB GLU 8 -0.076 7.355 -9.338 57 HG2 GLU 8 2HG GLU 8 1.666 8.727 -8.420 58 HG3 GLU 8 1HG GLU 8 2.913 7.561 -8.872 59 H LYS 9 H LYS 9 2.814 6.532 -6.455 60 HA LYS 9 HA LYS 9 4.775 4.738 -7.558 61 HB2 LYS 9 2HB LYS 9 4.888 6.411 -5.029 62 HB3 LYS 9 1HB LYS 9 6.245 5.523 -5.720 63 HG2 LYS 9 2HG LYS 9 6.043 6.939 -7.783 64 HG3 LYS 9 1HG LYS 9 4.800 7.884 -6.958 65 HD2 LYS 9 2HD LYS 9 7.735 7.620 -6.223 66 HD3 LYS 9 1HD LYS 9 6.874 9.074 -6.731 67 HE2 LYS 9 2HE LYS 9 5.508 8.896 -4.612 68 HE3 LYS 9 1HE LYS 9 6.580 7.596 -4.092 69 HZ1 LYS 9 3HZ LYS 9 7.377 10.387 -4.707 70 HZ2 LYS 9 1HZ LYS 9 8.433 9.152 -4.238 71 HZ3 LYS 9 2HZ LYS 9 7.249 9.701 -3.169 72 H ILE 10 H ILE 10 2.491 4.617 -4.893 73 HA ILE 10 HA ILE 10 3.451 2.258 -3.638 74 HB ILE 10 HB ILE 10 0.506 2.986 -4.015 75 HG12 ILE 10 2HG1 ILE 10 1.621 4.898 -2.981 76 HG13 ILE 10 1HG1 ILE 10 0.633 4.089 -1.777 77 HG21 ILE 10 1HG2 ILE 10 1.855 1.228 -1.933 78 HG22 ILE 10 2HG2 ILE 10 0.812 0.685 -3.248 79 HG23 ILE 10 3HG2 ILE 10 0.141 1.661 -1.940 80 HD11 ILE 10 3HD1 ILE 10 2.671 3.024 -0.864 81 HD12 ILE 10 1HD1 ILE 10 2.738 4.785 -0.827 82 HD13 ILE 10 2HD1 ILE 10 3.629 3.903 -2.061 83 H ARG 11 H ARG 11 1.110 2.791 -6.246 84 HA ARG 11 HA ARG 11 0.502 0.195 -7.011 85 HB2 ARG 11 2HB ARG 11 0.641 2.764 -8.610 86 HB3 ARG 11 1HB ARG 11 0.156 1.254 -9.364 87 HG2 ARG 11 2HG ARG 11 -1.689 1.084 -7.666 88 HG3 ARG 11 1HG ARG 11 -1.253 2.710 -7.125 89 HD2 ARG 11 2HD ARG 11 -3.105 2.854 -8.697 90 HD3 ARG 11 1HD ARG 11 -1.662 3.551 -9.442 91 HE ARG 11 HE ARG 11 -2.312 0.745 -10.013 92 HH11 ARG 11 1HH1 ARG 11 -2.268 4.048 -11.224 93 HH12 ARG 11 2HH1 ARG 11 -2.452 3.564 -12.878 94 HH21 ARG 11 1HH2 ARG 11 -2.540 0.135 -12.200 95 HH22 ARG 11 2HH2 ARG 11 -2.604 1.355 -13.428 96 H ARG 12 H ARG 12 3.160 2.227 -8.257 97 HA ARG 12 HA ARG 12 4.060 0.282 -10.162 98 HB2 ARG 12 2HB ARG 12 4.953 2.996 -9.290 99 HB3 ARG 12 1HB ARG 12 6.196 1.973 -9.986 100 HG2 ARG 12 2HG ARG 12 5.174 3.415 -11.701 101 HG3 ARG 12 1HG ARG 12 4.889 1.709 -12.043 102 HD2 ARG 12 2HD ARG 12 2.597 1.946 -11.068 103 HD3 ARG 12 1HD ARG 12 2.890 3.671 -10.859 104 HE ARG 12 HE ARG 12 2.792 2.277 -13.477 105 HH11 ARG 12 1HH1 ARG 12 2.204 5.181 -11.556 106 HH12 ARG 12 2HH1 ARG 12 1.506 6.056 -12.879 107 HH21 ARG 12 1HH2 ARG 12 1.867 3.410 -15.168 108 HH22 ARG 12 2HH2 ARG 12 1.314 5.040 -14.938 109 H TYR 13 H TYR 13 5.130 1.234 -6.931 110 HA TYR 13 HA TYR 13 7.417 -0.387 -6.676 111 HB2 TYR 13 2HB TYR 13 6.887 1.306 -4.993 112 HB3 TYR 13 1HB TYR 13 5.395 0.479 -4.574 113 HD1 TYR 13 HD1 TYR 13 9.091 -0.266 -4.782 114 HD2 TYR 13 HD2 TYR 13 5.453 -0.863 -2.608 115 HE1 TYR 13 HE1 TYR 13 10.309 -1.553 -3.095 116 HE2 TYR 13 HE2 TYR 13 6.694 -2.142 -0.915 117 HH TYR 13 HH TYR 13 8.963 -3.584 -1.046 118 H ILE 14 H ILE 14 4.018 -1.090 -6.107 119 HA ILE 14 HA ILE 14 4.125 -3.696 -5.146 120 HB ILE 14 HB ILE 14 2.062 -2.212 -6.804 121 HG12 ILE 14 2HG1 ILE 14 2.346 -1.404 -4.495 122 HG13 ILE 14 1HG1 ILE 14 0.766 -2.150 -4.682 123 HG21 ILE 14 1HG2 ILE 14 0.429 -4.005 -6.291 124 HG22 ILE 14 2HG2 ILE 14 1.756 -4.996 -5.673 125 HG23 ILE 14 3HG2 ILE 14 1.716 -4.525 -7.374 126 HD11 ILE 14 3HD1 ILE 14 1.626 -4.178 -3.571 127 HD12 ILE 14 1HD1 ILE 14 1.761 -2.739 -2.559 128 HD13 ILE 14 2HD1 ILE 14 3.186 -3.377 -3.372 129 H MET 15 H MET 15 4.010 -2.560 -8.528 130 HA MET 15 HA MET 15 3.971 -5.216 -9.627 131 HB2 MET 15 2HB MET 15 4.731 -2.678 -11.109 132 HB3 MET 15 1HB MET 15 4.081 -4.171 -11.783 133 HG2 MET 15 2HG MET 15 2.680 -2.026 -10.233 134 HG3 MET 15 1HG MET 15 2.254 -2.733 -11.789 135 HE1 MET 15 3HE MET 15 0.590 -4.774 -12.020 136 HE2 MET 15 1HE MET 15 0.475 -6.035 -10.795 137 HE3 MET 15 2HE MET 15 2.023 -5.716 -11.584 138 H GLU 16 H GLU 16 6.557 -2.837 -9.051 139 HA GLU 16 HA GLU 16 8.499 -4.277 -10.643 140 HB2 GLU 16 2HB GLU 16 8.773 -1.809 -8.879 141 HB3 GLU 16 1HB GLU 16 10.065 -2.458 -9.890 142 HG2 GLU 16 2HG GLU 16 8.757 -2.042 -11.910 143 HG3 GLU 16 1HG GLU 16 7.383 -1.497 -10.948 144 H ASP 17 H ASP 17 7.628 -4.147 -7.271 145 HA ASP 17 HA ASP 17 10.042 -5.729 -6.519 146 HB2 ASP 17 2HB ASP 17 9.821 -3.569 -5.317 147 HB3 ASP 17 1HB ASP 17 8.202 -4.009 -4.790 148 H LEU 18 H LEU 18 6.590 -5.388 -5.614 149 HA LEU 18 HA LEU 18 6.497 -7.843 -4.178 150 HB2 LEU 18 2HB LEU 18 4.289 -6.010 -5.144 151 HB3 LEU 18 1HB LEU 18 3.960 -7.452 -4.212 152 HG LEU 18 HG LEU 18 3.900 -5.568 -2.720 153 HD11 LEU 18 1HD1 LEU 18 5.572 -6.179 -1.049 154 HD12 LEU 18 2HD1 LEU 18 6.480 -7.087 -2.258 155 HD13 LEU 18 3HD1 LEU 18 4.859 -7.607 -1.790 156 HD21 LEU 18 3HD2 LEU 18 5.757 -4.042 -2.306 157 HD22 LEU 18 1HD2 LEU 18 5.240 -3.943 -3.983 158 HD23 LEU 18 2HD2 LEU 18 6.714 -4.819 -3.572 159 H ILE 19 H ILE 19 5.518 -6.987 -7.476 160 HA ILE 19 HA ILE 19 4.801 -9.733 -8.124 161 HB ILE 19 HB ILE 19 4.800 -7.157 -9.722 162 HG12 ILE 19 2HG1 ILE 19 2.369 -7.737 -10.078 163 HG13 ILE 19 1HG1 ILE 19 2.588 -9.123 -9.032 164 HG21 ILE 19 1HG2 ILE 19 4.017 -8.389 -11.721 165 HG22 ILE 19 2HG2 ILE 19 4.331 -9.914 -10.885 166 HG23 ILE 19 3HG2 ILE 19 5.666 -8.827 -11.270 167 HD11 ILE 19 3HD1 ILE 19 1.481 -7.300 -7.904 168 HD12 ILE 19 1HD1 ILE 19 2.858 -6.241 -8.223 169 HD13 ILE 19 2HD1 ILE 19 3.043 -7.643 -7.161 170 H GLY 20 H GLY 20 7.393 -7.397 -8.871 171 HA2 GLY 20 2HA GLY 20 9.694 -8.093 -9.089 172 HA3 GLY 20 1HA GLY 20 9.145 -9.620 -9.773 173 HA PRO 21 HA PRO 21 10.630 -6.807 -13.201 174 HB2 PRO 21 2HB PRO 21 11.580 -8.864 -14.827 175 HB3 PRO 21 1HB PRO 21 12.525 -8.065 -13.557 176 HG2 PRO 21 2HG PRO 21 11.066 -10.676 -13.452 177 HG3 PRO 21 1HG PRO 21 12.664 -10.241 -12.803 178 HD2 PRO 21 2HD PRO 21 10.483 -10.386 -11.213 179 HD3 PRO 21 1HD PRO 21 11.773 -9.202 -10.917 180 H SER 22 H SER 22 8.927 -9.930 -13.820 181 HA SER 22 HA SER 22 7.636 -8.950 -16.216 182 HB2 SER 22 2HB SER 22 7.081 -11.484 -14.613 183 HB3 SER 22 1HB SER 22 6.487 -11.130 -16.238 184 HG SER 22 HG SER 22 8.851 -10.866 -16.718 185 H ALA 23 H ALA 23 6.542 -7.095 -15.492 186 HA ALA 23 HA ALA 23 4.465 -7.386 -13.401 187 HB1 ALA 23 3HB ALA 23 6.302 -5.918 -12.771 188 HB2 ALA 23 1HB ALA 23 4.823 -4.977 -12.985 189 HB3 ALA 23 2HB ALA 23 6.073 -4.952 -14.232 190 H LYS 24 H LYS 24 2.408 -7.059 -13.956 191 HA LYS 24 HA LYS 24 1.696 -5.782 -16.538 192 HB2 LYS 24 2HB LYS 24 0.173 -7.834 -14.893 193 HB3 LYS 24 1HB LYS 24 -0.422 -7.087 -16.371 194 HG2 LYS 24 2HG LYS 24 1.437 -8.147 -17.635 195 HG3 LYS 24 1HG LYS 24 1.985 -8.920 -16.141 196 HD2 LYS 24 2HD LYS 24 -0.143 -10.145 -15.964 197 HD3 LYS 24 1HD LYS 24 -0.755 -9.325 -17.404 198 HE2 LYS 24 2HE LYS 24 1.040 -10.389 -18.747 199 HE3 LYS 24 1HE LYS 24 1.598 -11.245 -17.309 200 HZ1 LYS 24 3HZ LYS 24 -0.518 -12.376 -17.190 201 HZ2 LYS 24 1HZ LYS 24 0.172 -12.621 -18.713 202 HZ3 LYS 24 2HZ LYS 24 -1.099 -11.523 -18.523 203 H GLU 25 H GLU 25 1.681 -3.638 -15.648 204 HA GLU 25 HA GLU 25 -0.041 -2.992 -13.416 205 HB2 GLU 25 2HB GLU 25 0.387 -0.619 -13.991 206 HB3 GLU 25 1HB GLU 25 1.832 -1.571 -13.764 207 HG2 GLU 25 2HG GLU 25 2.159 -1.709 -16.203 208 HG3 GLU 25 1HG GLU 25 0.697 -0.744 -16.437 209 H ASP 26 H ASP 26 -0.717 -3.831 -16.556 210 HA ASP 26 HA ASP 26 -2.992 -2.242 -17.075 211 HB2 ASP 26 2HB ASP 26 -2.353 -5.059 -18.073 212 HB3 ASP 26 1HB ASP 26 -3.553 -3.980 -18.774 213 H GLU 27 H GLU 27 -2.396 -5.171 -15.284 214 HA GLU 27 HA GLU 27 -5.159 -5.855 -14.712 215 HB2 GLU 27 2HB GLU 27 -2.629 -6.865 -13.339 216 HB3 GLU 27 1HB GLU 27 -4.199 -7.655 -13.375 217 HG2 GLU 27 2HG GLU 27 -2.349 -7.259 -15.739 218 HG3 GLU 27 1HG GLU 27 -2.578 -8.757 -14.849 219 H LEU 28 H LEU 28 -2.482 -4.261 -13.182 220 HA LEU 28 HA LEU 28 -3.538 -3.775 -10.601 221 HB2 LEU 28 2HB LEU 28 -1.169 -3.739 -11.050 222 HB3 LEU 28 1HB LEU 28 -1.385 -2.512 -12.276 223 HG LEU 28 HG LEU 28 -2.262 -1.066 -10.243 224 HD11 LEU 28 1HD1 LEU 28 -0.499 -3.032 -8.790 225 HD12 LEU 28 2HD1 LEU 28 -2.224 -2.754 -8.526 226 HD13 LEU 28 3HD1 LEU 28 -1.061 -1.484 -8.152 227 HD21 LEU 28 3HD2 LEU 28 0.608 -1.581 -10.934 228 HD22 LEU 28 1HD2 LEU 28 0.091 -0.261 -9.902 229 HD23 LEU 28 2HD2 LEU 28 -0.460 -0.339 -11.567 230 H ASP 29 H ASP 29 -4.606 -2.020 -9.803 231 HA ASP 29 HA ASP 29 -4.904 0.475 -11.278 232 HB2 ASP 29 2HB ASP 29 -6.901 -1.043 -11.915 233 HB3 ASP 29 1HB ASP 29 -7.376 -0.972 -10.217 234 H ASP 30 H ASP 30 -6.195 2.040 -9.691 235 HA ASP 30 HA ASP 30 -5.108 2.123 -7.121 236 HB2 ASP 30 2HB ASP 30 -5.903 4.183 -8.062 237 HB3 ASP 30 1HB ASP 30 -7.481 3.502 -8.414 238 H GLN 31 H GLN 31 -8.245 0.940 -8.286 239 HA GLN 31 HA GLN 31 -8.969 0.124 -5.522 240 HB2 GLN 31 2HB GLN 31 -11.340 0.187 -6.383 241 HB3 GLN 31 1HB GLN 31 -10.505 1.733 -6.320 242 HG2 GLN 31 2HG GLN 31 -10.022 1.485 -8.776 243 HG3 GLN 31 1HG GLN 31 -11.084 0.071 -8.775 244 HE21 GLN 31 1HE2 GLN 31 -11.353 2.607 -10.221 245 HE22 GLN 31 2HE2 GLN 31 -12.873 3.281 -9.752 246 H THR 32 H THR 32 -7.682 -1.330 -8.119 247 HA THR 32 HA THR 32 -9.093 -3.820 -8.069 248 HB THR 32 HB THR 32 -6.183 -3.262 -8.778 249 HG1 THR 32 HG1 THR 32 -6.938 -3.417 -10.890 250 HG21 THR 32 3HG2 THR 32 -6.398 -5.643 -8.112 251 HG22 THR 32 1HG2 THR 32 -6.135 -5.496 -9.848 252 HG23 THR 32 2HG2 THR 32 -7.753 -5.836 -9.229 253 HA PRO 33 HA PRO 33 -7.907 -4.884 -3.812 254 HB2 PRO 33 2HB PRO 33 -8.861 -7.493 -3.818 255 HB3 PRO 33 1HB PRO 33 -9.879 -6.055 -3.598 256 HG2 PRO 33 2HG PRO 33 -9.420 -7.669 -6.067 257 HG3 PRO 33 1HG PRO 33 -10.926 -6.966 -5.435 258 HD2 PRO 33 2HD PRO 33 -9.558 -5.812 -7.455 259 HD3 PRO 33 1HD PRO 33 -10.455 -4.849 -6.262 260 H LEU 34 H LEU 34 -5.786 -5.076 -3.500 261 HA LEU 34 HA LEU 34 -3.966 -6.570 -5.069 262 HB2 LEU 34 2HB LEU 34 -3.631 -5.257 -2.352 263 HB3 LEU 34 1HB LEU 34 -2.315 -6.020 -3.218 264 HG LEU 34 HG LEU 34 -2.129 -3.639 -3.498 265 HD11 LEU 34 1HD1 LEU 34 -2.128 -3.367 -5.931 266 HD12 LEU 34 2HD1 LEU 34 -3.148 -4.798 -6.108 267 HD13 LEU 34 3HD1 LEU 34 -1.507 -4.952 -5.474 268 HD21 LEU 34 3HD2 LEU 34 -4.939 -3.579 -4.580 269 HD22 LEU 34 1HD2 LEU 34 -3.820 -2.216 -4.527 270 HD23 LEU 34 2HD2 LEU 34 -4.399 -2.940 -3.029 271 H LEU 35 H LEU 35 -5.240 -7.223 -1.738 272 HA LEU 35 HA LEU 35 -3.653 -9.585 -1.409 273 HB2 LEU 35 2HB LEU 35 -6.225 -8.899 0.040 274 HB3 LEU 35 1HB LEU 35 -5.172 -10.238 0.457 275 HG LEU 35 HG LEU 35 -3.360 -8.258 0.658 276 HD11 LEU 35 1HD1 LEU 35 -4.311 -6.242 1.617 277 HD12 LEU 35 2HD1 LEU 35 -5.942 -6.835 1.295 278 HD13 LEU 35 3HD1 LEU 35 -4.842 -6.483 -0.045 279 HD21 LEU 35 3HD2 LEU 35 -3.875 -9.838 2.438 280 HD22 LEU 35 1HD2 LEU 35 -5.344 -8.940 2.844 281 HD23 LEU 35 2HD2 LEU 35 -3.756 -8.200 3.075 282 H GLU 36 H GLU 36 -6.958 -9.107 -2.567 283 HA GLU 36 HA GLU 36 -7.752 -11.793 -2.820 284 HB2 GLU 36 2HB GLU 36 -9.352 -9.909 -3.001 285 HB3 GLU 36 1HB GLU 36 -8.590 -9.384 -4.501 286 HG2 GLU 36 2HG GLU 36 -9.252 -11.554 -5.546 287 HG3 GLU 36 1HG GLU 36 -10.092 -11.982 -4.056 288 H TRP 37 H TRP 37 -5.743 -9.723 -4.832 289 HA TRP 37 HA TRP 37 -5.665 -11.717 -7.025 290 HB2 TRP 37 2HB TRP 37 -4.654 -8.862 -6.774 291 HB3 TRP 37 1HB TRP 37 -4.178 -9.896 -8.117 292 HD1 TRP 37 HD1 TRP 37 -7.727 -9.265 -6.564 293 HE1 TRP 37 HE1 TRP 37 -9.318 -8.634 -8.467 294 HE3 TRP 37 HE3 TRP 37 -4.408 -9.353 -10.464 295 HZ2 TRP 37 HZ2 TRP 37 -9.202 -8.221 -11.253 296 HZ3 TRP 37 HZ3 TRP 37 -5.241 -8.826 -12.724 297 HH2 TRP 37 HH2 TRP 37 -7.588 -8.273 -13.109 298 H GLY 38 H GLY 38 -4.332 -11.720 -4.149 299 HA2 GLY 38 2HA GLY 38 -2.634 -12.925 -3.238 300 HA3 GLY 38 1HA GLY 38 -2.312 -13.587 -4.833 301 H ILE 39 H ILE 39 -2.215 -10.171 -4.228 302 HA ILE 39 HA ILE 39 0.562 -10.023 -5.070 303 HB ILE 39 HB ILE 39 -1.591 -7.929 -4.560 304 HG12 ILE 39 2HG1 ILE 39 -0.348 -8.928 -7.161 305 HG13 ILE 39 1HG1 ILE 39 -1.947 -9.352 -6.575 306 HG21 ILE 39 1HG2 ILE 39 -0.088 -6.249 -5.520 307 HG22 ILE 39 2HG2 ILE 39 1.203 -7.446 -5.606 308 HG23 ILE 39 3HG2 ILE 39 0.580 -6.934 -4.037 309 HD11 ILE 39 3HD1 ILE 39 -2.627 -6.999 -6.831 310 HD12 ILE 39 1HD1 ILE 39 -2.093 -7.732 -8.343 311 HD13 ILE 39 2HD1 ILE 39 -1.025 -6.628 -7.476 312 H LEU 40 H LEU 40 -1.444 -9.211 -2.249 313 HA LEU 40 HA LEU 40 0.987 -8.740 -0.590 314 HB2 LEU 40 2HB LEU 40 -1.884 -7.979 0.061 315 HB3 LEU 40 1HB LEU 40 -0.434 -7.478 0.915 316 HG LEU 40 HG LEU 40 -1.295 -6.606 -1.863 317 HD11 LEU 40 1HD1 LEU 40 -1.480 -4.370 -0.858 318 HD12 LEU 40 2HD1 LEU 40 -1.117 -5.053 0.732 319 HD13 LEU 40 3HD1 LEU 40 -2.585 -5.535 -0.134 320 HD21 LEU 40 3HD2 LEU 40 1.237 -5.889 -0.368 321 HD22 LEU 40 1HD2 LEU 40 0.649 -5.092 -1.833 322 HD23 LEU 40 2HD2 LEU 40 1.100 -6.791 -1.885 323 H ASN 41 H ASN 41 1.529 -10.508 0.524 324 HA ASN 41 HA ASN 41 -0.517 -12.511 1.270 325 HB2 ASN 41 2HB ASN 41 2.460 -12.900 0.765 326 HB3 ASN 41 1HB ASN 41 1.400 -14.162 1.369 327 HD21 ASN 41 1HD2 ASN 41 0.736 -11.815 -1.245 328 HD22 ASN 41 2HD2 ASN 41 0.608 -12.991 -2.487 329 H SER 42 H SER 42 2.766 -11.594 2.529 330 HA SER 42 HA SER 42 1.758 -11.611 5.266 331 HB2 SER 42 3HB SER 42 1.871 -14.046 4.623 332 HB3 SER 42 2HB SER 42 3.595 -13.852 4.313 333 H MET 43 H MET 43 4.870 -12.415 3.662 334 HA MET 43 HA MET 43 6.277 -10.569 5.474 335 HB2 MET 43 2HB MET 43 7.332 -12.703 3.578 336 HB3 MET 43 1HB MET 43 8.332 -11.745 4.665 337 HG2 MET 43 2HG MET 43 6.146 -13.645 5.581 338 HG3 MET 43 1HG MET 43 7.853 -14.057 5.484 339 HE1 MET 43 3HE MET 43 5.912 -11.394 8.752 340 HE2 MET 43 1HE MET 43 5.048 -12.579 7.773 341 HE3 MET 43 2HE MET 43 5.599 -11.069 7.047 342 H ASN 44 H ASN 44 5.137 -10.728 2.311 343 HA ASN 44 HA ASN 44 7.004 -8.752 1.239 344 HB2 ASN 44 2HB ASN 44 5.900 -9.099 -0.883 345 HB3 ASN 44 1HB ASN 44 6.264 -10.662 -0.170 346 HD21 ASN 44 1HD2 ASN 44 4.353 -10.080 -2.234 347 HD22 ASN 44 2HD2 ASN 44 2.802 -10.552 -1.645 348 H ILE 45 H ILE 45 3.741 -8.968 2.508 349 HA ILE 45 HA ILE 45 2.788 -6.379 1.776 350 HB ILE 45 HB ILE 45 1.416 -8.368 2.624 351 HG12 ILE 45 2HG1 ILE 45 0.903 -5.656 3.931 352 HG13 ILE 45 1HG1 ILE 45 0.335 -6.173 2.344 353 HG21 ILE 45 1HG2 ILE 45 2.789 -8.894 4.604 354 HG22 ILE 45 2HG2 ILE 45 1.101 -8.664 5.033 355 HG23 ILE 45 3HG2 ILE 45 2.280 -7.392 5.374 356 HD11 ILE 45 3HD1 ILE 45 -0.468 -7.382 4.988 357 HD12 ILE 45 1HD1 ILE 45 -1.043 -7.892 3.395 358 HD13 ILE 45 2HD1 ILE 45 -1.438 -6.279 4.001 359 H VAL 46 H VAL 46 5.032 -7.496 4.093 360 HA VAL 46 HA VAL 46 5.006 -5.347 5.983 361 HB VAL 46 HB VAL 46 7.111 -7.495 5.435 362 HG11 VAL 46 1HG1 VAL 46 7.886 -7.082 7.750 363 HG12 VAL 46 2HG1 VAL 46 6.727 -5.759 7.899 364 HG13 VAL 46 3HG1 VAL 46 8.059 -5.639 6.749 365 HG21 VAL 46 3HG2 VAL 46 4.823 -7.479 7.441 366 HG22 VAL 46 1HG2 VAL 46 6.037 -8.748 7.269 367 HG23 VAL 46 2HG2 VAL 46 4.883 -8.441 5.963 368 H LYS 47 H LYS 47 6.463 -5.886 2.893 369 HA LYS 47 HA LYS 47 8.530 -3.949 2.909 370 HB2 LYS 47 2HB LYS 47 6.890 -5.219 0.701 371 HB3 LYS 47 1HB LYS 47 7.961 -3.884 0.319 372 HG2 LYS 47 2HG LYS 47 9.038 -6.040 -0.117 373 HG3 LYS 47 1HG LYS 47 9.887 -5.116 1.123 374 HD2 LYS 47 2HD LYS 47 8.659 -6.512 2.865 375 HD3 LYS 47 1HD LYS 47 8.077 -7.509 1.534 376 HE2 LYS 47 2HE LYS 47 10.035 -8.522 2.610 377 HE3 LYS 47 1HE LYS 47 10.405 -8.075 0.943 378 HZ1 LYS 47 3HZ LYS 47 11.099 -6.456 3.326 379 HZ2 LYS 47 1HZ LYS 47 11.530 -6.119 1.729 380 HZ3 LYS 47 2HZ LYS 47 12.164 -7.476 2.510 381 H LEU 48 H LEU 48 5.066 -3.708 2.582 382 HA LEU 48 HA LEU 48 4.945 -0.985 1.739 383 HB2 LEU 48 2HB LEU 48 2.884 -2.786 3.047 384 HB3 LEU 48 1HB LEU 48 2.539 -1.104 2.688 385 HG LEU 48 HG LEU 48 1.597 -2.506 0.938 386 HD11 LEU 48 1HD1 LEU 48 2.434 -0.295 0.239 387 HD12 LEU 48 2HD1 LEU 48 2.586 -1.465 -1.068 388 HD13 LEU 48 3HD1 LEU 48 4.013 -0.994 -0.143 389 HD21 LEU 48 3HD2 LEU 48 2.934 -3.925 -0.549 390 HD22 LEU 48 1HD2 LEU 48 3.067 -4.479 1.119 391 HD23 LEU 48 2HD2 LEU 48 4.392 -3.571 0.383 392 H MET 49 H MET 49 5.072 -2.546 4.949 393 HA MET 49 HA MET 49 4.429 -0.374 6.609 394 HB2 MET 49 2HB MET 49 6.614 -2.434 7.167 395 HB3 MET 49 1HB MET 49 5.871 -1.385 8.363 396 HG2 MET 49 2HG MET 49 3.737 -2.554 8.080 397 HG3 MET 49 1HG MET 49 4.479 -3.607 6.860 398 HE1 MET 49 3HE MET 49 4.460 -6.190 9.783 399 HE2 MET 49 1HE MET 49 4.003 -5.841 8.117 400 HE3 MET 49 2HE MET 49 3.164 -5.044 9.451 401 H VAL 50 H VAL 50 7.679 -1.387 5.567 402 HA VAL 50 HA VAL 50 9.037 0.891 6.632 403 HB VAL 50 HB VAL 50 10.176 -1.268 6.456 404 HG11 VAL 50 1HG1 VAL 50 10.896 -2.228 4.298 405 HG12 VAL 50 2HG1 VAL 50 10.003 -0.968 3.438 406 HG13 VAL 50 3HG1 VAL 50 9.135 -2.155 4.418 407 HG21 VAL 50 3HG2 VAL 50 11.516 0.825 4.704 408 HG22 VAL 50 1HG2 VAL 50 12.335 -0.555 5.438 409 HG23 VAL 50 2HG2 VAL 50 11.629 0.700 6.461 410 H TYR 51 H TYR 51 7.571 0.203 3.517 411 HA TYR 51 HA TYR 51 8.884 2.164 1.931 412 HB2 TYR 51 2HB TYR 51 7.371 0.232 1.101 413 HB3 TYR 51 1HB TYR 51 6.008 1.246 1.516 414 HD1 TYR 51 HD1 TYR 51 9.116 1.193 -0.565 415 HD2 TYR 51 HD2 TYR 51 5.224 2.885 -0.056 416 HE1 TYR 51 HE1 TYR 51 9.293 2.280 -2.754 417 HE2 TYR 51 HE2 TYR 51 5.409 3.964 -2.250 418 HH TYR 51 HH TYR 51 7.654 3.150 -4.550 419 H ILE 52 H ILE 52 5.763 2.146 3.552 420 HA ILE 52 HA ILE 52 5.033 4.839 3.051 421 HB ILE 52 HB ILE 52 3.983 2.804 5.060 422 HG12 ILE 52 2HG1 ILE 52 2.745 3.615 2.391 423 HG13 ILE 52 1HG1 ILE 52 3.895 2.291 2.515 424 HG21 ILE 52 1HG2 ILE 52 3.347 5.068 5.774 425 HG22 ILE 52 2HG2 ILE 52 1.938 4.173 5.200 426 HG23 ILE 52 3HG2 ILE 52 2.685 5.395 4.169 427 HD11 ILE 52 3HD1 ILE 52 1.634 1.491 2.464 428 HD12 ILE 52 1HD1 ILE 52 1.229 2.435 3.899 429 HD13 ILE 52 2HD1 ILE 52 2.400 1.112 4.005 430 H ARG 53 H ARG 53 6.745 3.229 5.648 431 HA ARG 53 HA ARG 53 6.880 5.334 7.524 432 HB2 ARG 53 2HB ARG 53 7.494 2.972 8.017 433 HB3 ARG 53 1HB ARG 53 8.928 3.150 7.010 434 HG2 ARG 53 2HG ARG 53 9.782 4.902 8.555 435 HG3 ARG 53 1HG ARG 53 8.359 4.683 9.574 436 HD2 ARG 53 2HD ARG 53 9.035 2.331 9.988 437 HD3 ARG 53 1HD ARG 53 10.475 2.583 8.987 438 HE ARG 53 HE ARG 53 10.709 4.546 10.809 439 HH11 ARG 53 1HH1 ARG 53 10.153 1.101 11.193 440 HH12 ARG 53 2HH1 ARG 53 10.946 1.012 12.732 441 HH21 ARG 53 1HH2 ARG 53 11.734 4.440 12.820 442 HH22 ARG 53 2HH2 ARG 53 11.850 2.927 13.660 443 H ASP 54 H ASP 54 8.637 4.782 4.538 444 HA ASP 54 HA ASP 54 10.567 6.932 5.094 445 HB2 ASP 54 2HB ASP 54 11.264 4.753 3.976 446 HB3 ASP 54 1HB ASP 54 10.312 5.239 2.578 447 H GLU 55 H GLU 55 8.223 6.197 2.478 448 HA GLU 55 HA GLU 55 8.362 8.718 1.240 449 HB2 GLU 55 2HB GLU 55 6.470 6.374 1.025 450 HB3 GLU 55 1HB GLU 55 6.016 7.894 0.262 451 HG2 GLU 55 2HG GLU 55 7.108 6.286 -1.287 452 HG3 GLU 55 1HG GLU 55 7.922 7.842 -1.194 453 H MET 56 H MET 56 5.624 7.423 3.205 454 HA MET 56 HA MET 56 4.519 10.128 3.495 455 HB2 MET 56 2HB MET 56 3.454 7.364 4.126 456 HB3 MET 56 1HB MET 56 2.654 8.794 4.773 457 HG2 MET 56 2HG MET 56 1.586 7.994 2.711 458 HG3 MET 56 1HG MET 56 2.235 9.621 2.530 459 HE1 MET 56 3HE MET 56 3.908 5.836 0.504 460 HE2 MET 56 1HE MET 56 2.345 5.933 1.315 461 HE3 MET 56 2HE MET 56 3.835 5.971 2.260 462 H GLY 57 H GLY 57 6.703 8.211 5.169 463 HA2 GLY 57 2HA GLY 57 7.910 8.740 7.053 464 HA3 GLY 57 1HA GLY 57 6.930 10.181 7.249 465 H VAL 58 H VAL 58 5.329 7.077 7.067 466 HA VAL 58 HA VAL 58 5.059 6.942 10.009 467 HB VAL 58 HB VAL 58 3.162 8.306 9.327 468 HG11 VAL 58 1HG1 VAL 58 1.428 7.526 7.743 469 HG12 VAL 58 2HG1 VAL 58 2.420 6.110 7.370 470 HG13 VAL 58 3HG1 VAL 58 2.998 7.728 6.958 471 HG21 VAL 58 3HG2 VAL 58 1.299 6.966 10.202 472 HG22 VAL 58 1HG2 VAL 58 2.770 6.646 11.122 473 HG23 VAL 58 2HG2 VAL 58 2.211 5.483 9.917 474 H SER 59 H SER 59 5.304 4.898 10.710 475 HA SER 59 HA SER 59 5.401 2.655 8.885 476 HB2 SER 59 2HB SER 59 6.056 1.407 10.991 477 HB3 SER 59 1HB SER 59 7.073 2.801 10.633 478 HG SER 59 HG SER 59 4.899 2.797 12.468 479 H ILE 60 H ILE 60 3.826 1.154 8.571 480 HA ILE 60 HA ILE 60 1.310 1.166 9.994 481 HB ILE 60 HB ILE 60 2.409 -0.965 8.100 482 HG12 ILE 60 2HG1 ILE 60 2.129 1.323 7.017 483 HG13 ILE 60 1HG1 ILE 60 1.171 0.040 6.286 484 HG21 ILE 60 1HG2 ILE 60 -0.421 -0.520 9.131 485 HG22 ILE 60 2HG2 ILE 60 0.650 -1.866 9.524 486 HG23 ILE 60 3HG2 ILE 60 0.036 -1.684 7.886 487 HD11 ILE 60 3HD1 ILE 60 -0.823 0.856 7.466 488 HD12 ILE 60 1HD1 ILE 60 -0.096 2.103 6.453 489 HD13 ILE 60 2HD1 ILE 60 0.144 2.140 8.197 490 HA PRO 61 HA PRO 61 3.050 -1.664 13.167 491 HB2 PRO 61 2HB PRO 61 0.922 -1.557 14.904 492 HB3 PRO 61 1HB PRO 61 2.130 -0.259 14.797 493 HG2 PRO 61 2HG PRO 61 -0.601 -0.385 13.576 494 HG3 PRO 61 1HG PRO 61 0.207 0.969 14.399 495 HD2 PRO 61 2HD PRO 61 0.063 0.741 11.677 496 HD3 PRO 61 1HD PRO 61 1.396 1.574 12.506 497 H SER 62 H SER 62 2.274 -3.696 14.157 498 HA SER 62 HA SER 62 1.461 -5.478 12.124 499 HB2 SER 62 2HB SER 62 1.580 -7.178 14.061 500 HB3 SER 62 1HB SER 62 3.051 -6.274 13.703 501 HG SER 62 HG SER 62 2.943 -5.887 15.785 502 H THR 63 H THR 63 -0.362 -3.833 14.611 503 HA THR 63 HA THR 63 -2.679 -5.544 14.565 504 HB THR 63 HB THR 63 -2.158 -4.199 16.550 505 HG1 THR 63 HG1 THR 63 -4.597 -4.199 15.319 506 HG21 THR 63 3HG2 THR 63 -1.198 -2.211 15.463 507 HG22 THR 63 1HG2 THR 63 -2.483 -1.762 16.588 508 HG23 THR 63 2HG2 THR 63 -2.795 -1.764 14.853 509 H HIS 64 H HIS 64 -1.546 -2.973 12.531 510 HA HIS 64 HA HIS 64 -4.182 -2.479 11.314 511 HB2 HIS 64 2HB HIS 64 -1.466 -1.181 10.968 512 HB3 HIS 64 1HB HIS 64 -2.747 -0.912 9.790 513 HD1 HIS 64 HD1 HIS 64 -2.393 -0.660 13.565 514 HD2 HIS 64 HD2 HIS 64 -4.237 1.262 10.387 515 HE1 HIS 64 HE1 HIS 64 -3.536 1.322 14.565 516 HE2 HIS 64 HE2 HIS 64 -4.768 2.402 12.650 517 H ILE 65 H ILE 65 -1.867 -4.819 10.994 518 HA ILE 65 HA ILE 65 -1.854 -5.071 8.121 519 HB ILE 65 HB ILE 65 -1.068 -7.173 10.191 520 HG12 ILE 65 2HG1 ILE 65 0.311 -5.211 10.557 521 HG13 ILE 65 1HG1 ILE 65 1.295 -6.395 9.704 522 HG21 ILE 65 1HG2 ILE 65 0.250 -8.171 8.329 523 HG22 ILE 65 2HG2 ILE 65 -0.419 -6.969 7.223 524 HG23 ILE 65 3HG2 ILE 65 -1.480 -8.156 7.985 525 HD11 ILE 65 3HD1 ILE 65 -0.070 -4.012 8.461 526 HD12 ILE 65 1HD1 ILE 65 0.955 -5.175 7.615 527 HD13 ILE 65 2HD1 ILE 65 1.640 -4.135 8.872 528 H THR 66 H THR 66 -3.915 -5.150 7.447 529 HA THR 66 HA THR 66 -5.327 -7.654 7.820 530 HB THR 66 HB THR 66 -6.368 -6.325 9.586 531 HG1 THR 66 HG1 THR 66 -8.390 -6.784 9.004 532 HG21 THR 66 3HG2 THR 66 -5.784 -4.064 8.785 533 HG22 THR 66 1HG2 THR 66 -7.498 -4.190 9.184 534 HG23 THR 66 2HG2 THR 66 -6.985 -4.208 7.494 535 H GLY 67 H GLY 67 -6.988 -7.961 6.215 536 HA2 GLY 67 2HA GLY 67 -6.241 -7.297 3.604 537 HA3 GLY 67 1HA GLY 67 -7.781 -7.989 4.091 538 H LYS 68 H LYS 68 -8.536 -5.806 5.801 539 HA LYS 68 HA LYS 68 -10.001 -4.254 3.936 540 HB2 LYS 68 2HB LYS 68 -10.874 -4.828 6.125 541 HB3 LYS 68 1HB LYS 68 -9.541 -4.007 6.927 542 HG2 LYS 68 2HG LYS 68 -10.372 -1.837 6.103 543 HG3 LYS 68 1HG LYS 68 -11.723 -2.654 5.305 544 HD2 LYS 68 2HD LYS 68 -12.383 -1.657 7.486 545 HD3 LYS 68 1HD LYS 68 -12.588 -3.410 7.471 546 HE2 LYS 68 2HE LYS 68 -10.480 -3.674 8.728 547 HE3 LYS 68 1HE LYS 68 -10.237 -1.929 8.703 548 HZ1 LYS 68 3HZ LYS 68 -12.242 -1.668 10.024 549 HZ2 LYS 68 1HZ LYS 68 -11.137 -2.681 10.804 550 HZ3 LYS 68 2HZ LYS 68 -12.483 -3.340 10.028 551 H TYR 69 H TYR 69 -7.173 -3.408 5.969 552 HA TYR 69 HA TYR 69 -7.233 -0.618 5.101 553 HB2 TYR 69 2HB TYR 69 -5.440 -2.084 7.058 554 HB3 TYR 69 1HB TYR 69 -5.215 -0.388 6.629 555 HD1 TYR 69 HD2 TYR 69 -8.316 0.232 6.469 556 HD2 TYR 69 HD1 TYR 69 -5.867 -1.626 9.441 557 HE1 TYR 69 HE2 TYR 69 -9.898 0.929 8.195 558 HE2 TYR 69 HE1 TYR 69 -7.459 -0.923 11.169 559 HH TYR 69 HH TYR 69 -9.216 0.738 11.534 560 H PHE 70 H PHE 70 -5.771 -3.488 4.058 561 HA PHE 70 HA PHE 70 -3.863 -1.999 2.331 562 HB2 PHE 70 2HB PHE 70 -3.826 -4.858 3.343 563 HB3 PHE 70 1HB PHE 70 -2.834 -4.336 1.990 564 HD1 PHE 70 HD2 PHE 70 -3.366 -3.946 5.643 565 HD2 PHE 70 HD1 PHE 70 -0.858 -2.993 2.313 566 HE1 PHE 70 HE2 PHE 70 -1.597 -3.203 7.169 567 HE2 PHE 70 HE1 PHE 70 0.900 -2.248 3.854 568 HZ PHE 70 HZ PHE 70 0.535 -2.352 6.277 569 H LYS 71 H LYS 71 -6.874 -2.801 2.152 570 HA LYS 71 HA LYS 71 -7.349 -4.851 0.382 571 HB2 LYS 71 2HB LYS 71 -8.904 -2.918 1.721 572 HB3 LYS 71 1HB LYS 71 -9.272 -2.614 0.036 573 HG2 LYS 71 2HG LYS 71 -9.474 -5.372 1.289 574 HG3 LYS 71 1HG LYS 71 -10.819 -4.230 1.293 575 HD2 LYS 71 2HD LYS 71 -9.423 -5.189 -1.232 576 HD3 LYS 71 1HD LYS 71 -10.878 -5.932 -0.569 577 HE2 LYS 71 2HE LYS 71 -12.196 -4.022 -0.999 578 HE3 LYS 71 1HE LYS 71 -10.790 -2.976 -1.199 579 HZ1 LYS 71 3HZ LYS 71 -11.479 -5.184 -3.048 580 HZ2 LYS 71 1HZ LYS 71 -10.283 -4.001 -3.254 581 HZ3 LYS 71 2HZ LYS 71 -11.918 -3.570 -3.284 582 H ASP 72 H ASP 72 -6.736 -1.490 -0.295 583 HA ASP 72 HA ASP 72 -6.155 -1.989 -3.107 584 HB2 ASP 72 2HB ASP 72 -8.111 0.215 -2.224 585 HB3 ASP 72 1HB ASP 72 -7.612 -0.127 -3.870 586 H LEU 73 H LEU 73 -5.429 0.214 -4.048 587 HA LEU 73 HA LEU 73 -3.437 1.522 -2.545 588 HB2 LEU 73 2HB LEU 73 -3.870 1.462 -5.141 589 HB3 LEU 73 1HB LEU 73 -4.939 2.808 -4.839 590 HG LEU 73 HG LEU 73 -1.948 2.715 -4.898 591 HD11 LEU 73 1HD1 LEU 73 -2.199 4.902 -5.964 592 HD12 LEU 73 2HD1 LEU 73 -3.935 4.877 -5.642 593 HD13 LEU 73 3HD1 LEU 73 -3.220 3.692 -6.735 594 HD21 LEU 73 3HD2 LEU 73 -3.318 4.735 -3.095 595 HD22 LEU 73 1HD2 LEU 73 -1.603 4.696 -3.519 596 HD23 LEU 73 2HD2 LEU 73 -2.299 3.404 -2.546 597 H ASN 74 H ASN 74 -6.804 2.475 -3.408 598 HA ASN 74 HA ASN 74 -6.907 4.880 -1.953 599 HB2 ASN 74 2HB ASN 74 -9.391 4.697 -2.088 600 HB3 ASN 74 1HB ASN 74 -8.602 4.413 -3.630 601 HD21 ASN 74 1HD2 ASN 74 -8.782 2.446 -4.612 602 HD22 ASN 74 2HD2 ASN 74 -9.800 1.177 -4.021 603 H ALA 75 H ALA 75 -7.534 1.555 -0.901 604 HA ALA 75 HA ALA 75 -8.670 2.138 1.638 605 HB1 ALA 75 3HB ALA 75 -8.830 -0.072 0.602 606 HB2 ALA 75 1HB ALA 75 -8.133 -0.186 2.219 607 HB3 ALA 75 2HB ALA 75 -7.093 -0.307 0.795 608 H ILE 76 H ILE 76 -5.302 1.420 0.707 609 HA ILE 76 HA ILE 76 -4.051 1.835 3.214 610 HB ILE 76 HB ILE 76 -2.966 2.117 0.384 611 HG12 ILE 76 2HG1 ILE 76 -2.561 -0.079 2.451 612 HG13 ILE 76 1HG1 ILE 76 -3.723 -0.174 1.128 613 HG21 ILE 76 1HG2 ILE 76 -1.358 2.127 2.977 614 HG22 ILE 76 2HG2 ILE 76 -1.568 3.499 1.890 615 HG23 ILE 76 3HG2 ILE 76 -0.677 2.081 1.344 616 HD11 ILE 76 3HD1 ILE 76 -0.728 -0.021 0.881 617 HD12 ILE 76 1HD1 ILE 76 -1.869 -0.074 -0.470 618 HD13 ILE 76 2HD1 ILE 76 -1.749 -1.443 0.637 619 H SER 77 H SER 77 -4.934 4.000 0.608 620 HA SER 77 HA SER 77 -3.537 6.288 1.551 621 HB2 SER 77 2HB SER 77 -4.285 5.921 -0.828 622 HB3 SER 77 1HB SER 77 -5.948 6.220 -0.306 623 HG SER 77 HG SER 77 -3.789 8.018 0.044 624 H ARG 78 H ARG 78 -6.716 4.946 2.215 625 HA ARG 78 HA ARG 78 -7.649 7.259 3.711 626 HB2 ARG 78 2HB ARG 78 -8.863 4.483 3.415 627 HB3 ARG 78 1HB ARG 78 -9.631 5.820 4.268 628 HG2 ARG 78 2HG ARG 78 -8.905 5.841 1.326 629 HG3 ARG 78 1HG ARG 78 -10.507 5.482 1.959 630 HD2 ARG 78 2HD ARG 78 -10.907 7.719 2.568 631 HD3 ARG 78 1HD ARG 78 -9.189 8.098 2.680 632 HE ARG 78 HE ARG 78 -9.117 8.513 0.447 633 HH11 ARG 78 1HH1 ARG 78 -12.259 7.156 1.131 634 HH12 ARG 78 2HH1 ARG 78 -12.894 7.544 -0.433 635 HH21 ARG 78 1HH2 ARG 78 -9.909 8.965 -1.577 636 HH22 ARG 78 2HH2 ARG 78 -11.550 8.577 -1.981 637 H THR 79 H THR 79 -5.877 4.353 4.408 638 HA THR 79 HA THR 79 -6.374 4.478 7.291 639 HB THR 79 HB THR 79 -4.386 2.766 5.750 640 HG1 THR 79 HG1 THR 79 -6.160 1.808 5.122 641 HG21 THR 79 3HG2 THR 79 -5.476 2.441 8.572 642 HG22 THR 79 1HG2 THR 79 -3.822 2.905 8.164 643 HG23 THR 79 2HG2 THR 79 -4.418 1.296 7.750 644 H VAL 80 H VAL 80 -3.898 5.392 4.997 645 HA VAL 80 HA VAL 80 -1.791 5.784 6.900 646 HB VAL 80 HB VAL 80 -1.440 5.131 4.452 647 HG11 VAL 80 1HG1 VAL 80 -3.002 6.730 3.419 648 HG12 VAL 80 2HG1 VAL 80 -1.383 6.885 2.741 649 HG13 VAL 80 3HG1 VAL 80 -1.968 8.081 3.902 650 HG21 VAL 80 3HG2 VAL 80 0.082 7.580 5.433 651 HG22 VAL 80 1HG2 VAL 80 0.625 6.460 4.178 652 HG23 VAL 80 2HG2 VAL 80 0.429 5.898 5.839 653 H GLU 81 H GLU 81 -4.233 7.834 5.380 654 HA GLU 81 HA GLU 81 -3.259 10.365 6.229 655 HB2 GLU 81 2HB GLU 81 -5.581 11.177 5.848 656 HB3 GLU 81 1HB GLU 81 -5.003 10.189 4.507 657 HG2 GLU 81 2HG GLU 81 -6.318 8.302 5.211 658 HG3 GLU 81 1HG GLU 81 -6.728 9.073 6.736 659 H GLN 82 H GLN 82 -5.245 7.898 7.772 660 HA GLN 82 HA GLN 82 -6.149 9.374 10.032 661 HB2 GLN 82 2HB GLN 82 -5.795 6.364 9.709 662 HB3 GLN 82 1HB GLN 82 -6.684 7.137 11.018 663 HG2 GLN 82 2HG GLN 82 -7.410 7.255 8.083 664 HG3 GLN 82 1HG GLN 82 -8.157 6.210 9.286 665 HE21 GLN 82 1HE2 GLN 82 -7.999 9.422 8.002 666 HE22 GLN 82 2HE2 GLN 82 -9.289 10.089 8.935 667 H LEU 83 H LEU 83 -3.444 7.158 9.517 668 HA LEU 83 HA LEU 83 -2.391 7.230 12.152 669 HB2 LEU 83 2HB LEU 83 -0.996 6.637 9.524 670 HB3 LEU 83 1HB LEU 83 -0.335 6.292 11.118 671 HG LEU 83 HG LEU 83 -2.845 5.018 9.956 672 HD11 LEU 83 1HD1 LEU 83 -0.080 3.839 10.343 673 HD12 LEU 83 2HD1 LEU 83 -0.833 4.255 8.800 674 HD13 LEU 83 3HD1 LEU 83 -1.518 2.969 9.791 675 HD21 LEU 83 3HD2 LEU 83 -2.720 3.491 11.902 676 HD22 LEU 83 1HD2 LEU 83 -2.999 5.160 12.392 677 HD23 LEU 83 2HD2 LEU 83 -1.392 4.448 12.564 678 H LYS 84 H LYS 84 -1.812 9.237 9.310 679 HA LYS 84 HA LYS 84 0.190 10.876 10.613 680 HB2 LYS 84 2HB LYS 84 -1.353 11.305 8.034 681 HB3 LYS 84 1HB LYS 84 -0.066 12.365 8.612 682 HG2 LYS 84 2HG LYS 84 1.492 10.366 8.546 683 HG3 LYS 84 1HG LYS 84 0.202 9.467 7.742 684 HD2 LYS 84 2HD LYS 84 1.555 11.994 6.718 685 HD3 LYS 84 1HD LYS 84 1.787 10.361 6.096 686 HE2 LYS 84 2HE LYS 84 -0.470 10.289 5.248 687 HE3 LYS 84 1HE LYS 84 -0.885 11.805 6.052 688 HZ1 LYS 84 3HZ LYS 84 0.808 12.899 4.638 689 HZ2 LYS 84 1HZ LYS 84 -0.480 12.242 3.767 690 HZ3 LYS 84 2HZ LYS 84 1.008 11.455 3.792 691 H ALA 85 H ALA 85 -3.266 10.845 10.527 692 HA ALA 85 HA ALA 85 -3.678 13.593 11.339 693 HB1 ALA 85 3HB ALA 85 -5.426 12.337 10.123 694 HB2 ALA 85 1HB ALA 85 -6.015 12.900 11.692 695 HB3 ALA 85 2HB ALA 85 -5.558 11.208 11.474 696 H GLU 86 H GLU 86 -3.363 10.448 12.916 697 HA GLU 86 HA GLU 86 -3.687 11.411 15.621 698 HB2 GLU 86 2HB GLU 86 -2.457 8.824 14.557 699 HB3 GLU 86 1HB GLU 86 -2.882 9.135 16.239 700 HG2 GLU 86 2HG GLU 86 -5.231 9.157 15.730 701 HG3 GLU 86 1HG GLU 86 -4.914 9.139 13.993 702 H SER 87 H SER 87 -1.030 10.757 13.391 703 HA SER 87 HA SER 87 1.131 11.336 15.178 704 HB2 SER 87 2HB SER 87 1.439 10.065 13.061 705 HB3 SER 87 1HB SER 87 1.085 11.526 12.142 706 HG SER 87 HG SER 87 3.318 11.236 12.345 707 H ALA 88 H ALA 88 -1.027 13.371 13.306 708 HA ALA 88 HA ALA 88 0.406 15.796 13.529 709 HB1 ALA 88 3HB ALA 88 -1.717 16.937 13.187 710 HB2 ALA 88 1HB ALA 88 -2.606 15.440 13.474 711 HB3 ALA 88 2HB ALA 88 -1.552 15.583 12.065 712 H LEU 89 H LEU 89 1.314 15.867 15.435 713 HA LEU 89 HA LEU 89 0.347 15.514 18.009 714 HB2 LEU 89 2HB LEU 89 2.312 16.692 18.771 715 HB3 LEU 89 1HB LEU 89 2.737 15.648 17.435 716 HG LEU 89 HG LEU 89 2.529 18.693 17.361 717 HD11 LEU 89 1HD1 LEU 89 4.919 16.838 17.137 718 HD12 LEU 89 2HD1 LEU 89 4.516 17.854 18.523 719 HD13 LEU 89 3HD1 LEU 89 4.968 18.598 16.989 720 HD21 LEU 89 3HD2 LEU 89 3.405 18.586 15.051 721 HD22 LEU 89 1HD2 LEU 89 1.823 17.812 15.176 722 HD23 LEU 89 2HD2 LEU 89 3.285 16.823 15.082 723 H GLU 90 H GLU 90 0.042 18.223 15.850 724 HA GLU 90 HA GLU 90 -0.881 20.215 17.583 725 HB2 GLU 90 2HB GLU 90 -1.693 19.779 14.670 726 HB3 GLU 90 1HB GLU 90 -1.793 21.294 15.562 727 HG2 GLU 90 2HG GLU 90 0.734 19.829 14.758 728 HG3 GLU 90 1HG GLU 90 0.113 21.312 14.046 729 H281 4EM 101 2H28 PYA 142 3.489 -11.431 9.376 730 H283 4EM 101 3H28 PYA 142 3.025 -13.098 9.703 731 H303 4EM 101 3H30 PYA 142 0.639 -13.555 10.519 732 H301 4EM 101 1H30 PYA 142 -0.038 -12.537 9.232 733 H302 4EM 101 2H30 PYA 142 -0.420 -12.209 10.929 734 H312 4EM 101 2H31 PYA 142 2.044 -9.554 9.959 735 H313 4EM 101 3H31 PYA 142 0.786 -10.213 8.912 736 H311 4EM 101 1H31 PYA 142 0.409 -9.817 10.595 737 H32 4EM 101 H32 PYA 142 2.489 -12.580 12.045 738 H33 4EM 101 H33 PYA 142 3.503 -10.603 12.797 739 H36 4EM 101 H36 PYA 142 0.542 -13.077 13.089 740 H373 4EM 101 3H37 PYA 142 -1.219 -13.082 14.477 741 H372 4EM 101 2H37 PYA 142 -0.271 -11.921 15.392 742 H382 4EM 101 2H38 PYA 142 -1.372 -10.066 14.237 743 H383 4EM 101 3H38 PYA 142 -2.572 -11.106 14.999 744 H41 4EM 101 H41 PYA 142 -1.321 -9.798 12.184 745 H423 4EM 101 3H42 PYA 142 -1.543 -9.971 9.935 746 H422 4EM 101 2H42 PYA 142 -3.128 -9.390 10.406 747 H433 4EM 101 3H43 PYA 142 -4.077 -11.587 10.210 748 H432 4EM 101 2H43 PYA 142 -2.470 -12.307 9.996 749 H44 4EM 101 H44 PYA 142 -2.437 -11.668 7.975 750 H49 4EM 101 H49 PYA 142 -2.499 -8.434 6.452 751 H51 4EM 101 H51 PYA 142 -1.380 -9.650 4.416 752 H50 4EM 101 H50 PYA 142 -2.463 -12.001 4.191 753 H48 4EM 101 H48 PYA 142 -4.209 -12.197 6.060 Start of MODEL 18 1 H1 MET 1 1H MET 1 3.963 17.243 1.226 2 H2 MET 1 2H MET 1 2.318 17.590 1.295 3 H3 MET 1 3H MET 1 3.108 17.573 -0.188 4 HA MET 1 HA MET 1 3.560 15.219 0.047 5 HB2 MET 1 2HB MET 1 1.811 15.460 2.535 6 HB3 MET 1 1HB MET 1 2.411 13.949 1.861 7 HG2 MET 1 2HG MET 1 4.737 14.705 2.321 8 HG3 MET 1 1HG MET 1 4.085 16.166 3.074 9 HE1 MET 1 3HE MET 1 5.384 14.033 6.146 10 HE2 MET 1 1HE MET 1 5.500 15.581 5.310 11 HE3 MET 1 2HE MET 1 6.115 14.115 4.543 12 H ASP 2 H ASP 2 2.474 15.469 -1.921 13 HA ASP 2 HA ASP 2 -0.335 15.965 -2.151 14 HB2 ASP 2 2HB ASP 2 1.287 16.591 -3.930 15 HB3 ASP 2 1HB ASP 2 1.659 14.892 -4.199 16 H GLY 3 H GLY 3 -1.989 14.501 -2.635 17 HA2 GLY 3 2HA GLY 3 -1.855 11.997 -1.306 18 HA3 GLY 3 1HA GLY 3 -3.225 12.638 -2.201 19 H GLU 4 H GLU 4 -2.264 12.832 -4.776 20 HA GLU 4 HA GLU 4 -2.385 10.083 -5.604 21 HB2 GLU 4 2HB GLU 4 -2.009 12.602 -7.262 22 HB3 GLU 4 1HB GLU 4 -2.291 10.995 -7.933 23 HG2 GLU 4 2HG GLU 4 -4.468 10.932 -6.629 24 HG3 GLU 4 1HG GLU 4 -4.195 12.626 -6.222 25 H GLU 5 H GLU 5 0.163 12.390 -5.207 26 HA GLU 5 HA GLU 5 2.321 11.243 -6.551 27 HB2 GLU 5 2HB GLU 5 2.494 13.407 -5.414 28 HB3 GLU 5 1HB GLU 5 2.183 12.655 -3.857 29 HG2 GLU 5 2HG GLU 5 4.507 13.173 -3.963 30 HG3 GLU 5 1HG GLU 5 4.342 11.422 -4.067 31 H VAL 6 H VAL 6 1.280 10.716 -3.168 32 HA VAL 6 HA VAL 6 3.251 8.687 -2.729 33 HB VAL 6 HB VAL 6 2.334 8.430 -0.494 34 HG11 VAL 6 1HG1 VAL 6 3.806 10.348 -0.897 35 HG12 VAL 6 2HG1 VAL 6 2.588 10.759 0.314 36 HG13 VAL 6 3HG1 VAL 6 2.416 11.347 -1.343 37 HG21 VAL 6 3HG2 VAL 6 0.337 9.648 0.297 38 HG22 VAL 6 1HG2 VAL 6 -0.091 8.523 -0.991 39 HG23 VAL 6 2HG2 VAL 6 0.045 10.249 -1.339 40 H LYS 7 H LYS 7 -0.223 8.638 -3.421 41 HA LYS 7 HA LYS 7 -0.772 5.941 -2.989 42 HB2 LYS 7 2HB LYS 7 -1.984 7.928 -4.925 43 HB3 LYS 7 1HB LYS 7 -2.588 6.281 -4.791 44 HG2 LYS 7 2HG LYS 7 -3.064 6.697 -2.371 45 HG3 LYS 7 1HG LYS 7 -2.584 8.383 -2.605 46 HD2 LYS 7 2HD LYS 7 -4.906 6.933 -3.933 47 HD3 LYS 7 1HD LYS 7 -5.009 8.231 -2.747 48 HE2 LYS 7 2HE LYS 7 -4.023 9.796 -4.370 49 HE3 LYS 7 1HE LYS 7 -3.892 8.502 -5.559 50 HZ1 LYS 7 3HZ LYS 7 -5.816 9.729 -6.073 51 HZ2 LYS 7 1HZ LYS 7 -6.364 9.728 -4.477 52 HZ3 LYS 7 2HZ LYS 7 -6.372 8.299 -5.372 53 H GLU 8 H GLU 8 0.297 7.490 -6.046 54 HA GLU 8 HA GLU 8 0.221 5.098 -7.571 55 HB2 GLU 8 2HB GLU 8 1.409 6.306 -9.322 56 HB3 GLU 8 1HB GLU 8 0.125 7.310 -8.654 57 HG2 GLU 8 2HG GLU 8 1.762 8.605 -7.371 58 HG3 GLU 8 1HG GLU 8 3.060 7.552 -7.919 59 H LYS 9 H LYS 9 2.768 6.599 -5.616 60 HA LYS 9 HA LYS 9 4.878 4.916 -6.565 61 HB2 LYS 9 2HB LYS 9 4.653 6.603 -4.056 62 HB3 LYS 9 1HB LYS 9 6.119 5.739 -4.525 63 HG2 LYS 9 2HG LYS 9 6.234 7.052 -6.611 64 HG3 LYS 9 1HG LYS 9 4.761 7.916 -6.152 65 HD2 LYS 9 2HD LYS 9 7.413 7.959 -4.669 66 HD3 LYS 9 1HD LYS 9 6.749 9.257 -5.661 67 HE2 LYS 9 2HE LYS 9 4.816 9.414 -4.069 68 HE3 LYS 9 1HE LYS 9 5.611 8.215 -3.041 69 HZ1 LYS 9 3HZ LYS 9 7.460 9.707 -2.766 70 HZ2 LYS 9 1HZ LYS 9 6.030 10.486 -2.318 71 HZ3 LYS 9 2HZ LYS 9 6.759 10.846 -3.800 72 H ILE 10 H ILE 10 2.498 4.578 -3.989 73 HA ILE 10 HA ILE 10 3.602 2.243 -2.778 74 HB ILE 10 HB ILE 10 0.657 3.004 -2.986 75 HG12 ILE 10 2HG1 ILE 10 1.854 4.828 -1.907 76 HG13 ILE 10 1HG1 ILE 10 0.936 3.968 -0.686 77 HG21 ILE 10 1HG2 ILE 10 0.342 1.602 -0.961 78 HG22 ILE 10 2HG2 ILE 10 2.039 1.116 -1.053 79 HG23 ILE 10 3HG2 ILE 10 0.918 0.664 -2.339 80 HD11 ILE 10 3HD1 ILE 10 3.114 4.595 0.148 81 HD12 ILE 10 1HD1 ILE 10 3.907 3.745 -1.175 82 HD13 ILE 10 2HD1 ILE 10 3.003 2.839 0.042 83 H ARG 11 H ARG 11 1.371 2.800 -5.477 84 HA ARG 11 HA ARG 11 0.887 0.062 -6.118 85 HB2 ARG 11 2HB ARG 11 0.628 2.523 -7.882 86 HB3 ARG 11 1HB ARG 11 0.032 0.922 -8.301 87 HG2 ARG 11 2HG ARG 11 -0.935 2.663 -6.020 88 HG3 ARG 11 1HG ARG 11 -1.774 2.359 -7.538 89 HD2 ARG 11 2HD ARG 11 -2.860 0.935 -6.052 90 HD3 ARG 11 1HD ARG 11 -1.704 -0.152 -6.820 91 HE ARG 11 HE ARG 11 -1.120 1.118 -4.206 92 HH11 ARG 11 1HH1 ARG 11 -1.534 -1.803 -6.096 93 HH12 ARG 11 2HH1 ARG 11 -0.982 -2.848 -4.833 94 HH21 ARG 11 1HH2 ARG 11 -0.403 -0.269 -2.540 95 HH22 ARG 11 2HH2 ARG 11 -0.340 -1.976 -2.815 96 H ARG 12 H ARG 12 3.303 2.409 -7.204 97 HA ARG 12 HA ARG 12 4.323 0.846 -9.354 98 HB2 ARG 12 2HB ARG 12 5.097 3.415 -8.049 99 HB3 ARG 12 1HB ARG 12 6.446 2.519 -8.736 100 HG2 ARG 12 2HG ARG 12 5.544 4.138 -10.355 101 HG3 ARG 12 1HG ARG 12 5.368 2.478 -10.928 102 HD2 ARG 12 2HD ARG 12 2.981 2.531 -10.112 103 HD3 ARG 12 1HD ARG 12 3.197 4.247 -9.757 104 HE ARG 12 HE ARG 12 3.835 3.515 -12.472 105 HH11 ARG 12 1HH1 ARG 12 1.215 4.474 -10.327 106 HH12 ARG 12 2HH1 ARG 12 0.218 5.054 -11.619 107 HH21 ARG 12 1HH2 ARG 12 2.536 4.216 -14.135 108 HH22 ARG 12 2HH2 ARG 12 0.979 4.907 -13.804 109 H TYR 13 H TYR 13 5.388 1.425 -6.039 110 HA TYR 13 HA TYR 13 7.619 -0.197 -5.885 111 HB2 TYR 13 2HB TYR 13 6.905 1.275 -4.061 112 HB3 TYR 13 1HB TYR 13 5.485 0.272 -3.764 113 HD1 TYR 13 HD1 TYR 13 9.223 -0.249 -4.085 114 HD2 TYR 13 HD2 TYR 13 5.674 -1.117 -1.870 115 HE1 TYR 13 HE1 TYR 13 10.548 -1.541 -2.493 116 HE2 TYR 13 HE2 TYR 13 7.013 -2.407 -0.270 117 HH TYR 13 HH TYR 13 9.328 -3.667 -0.390 118 H ILE 14 H ILE 14 4.223 -1.122 -5.583 119 HA ILE 14 HA ILE 14 4.531 -3.854 -5.039 120 HB ILE 14 HB ILE 14 2.316 -2.308 -6.426 121 HG12 ILE 14 2HG1 ILE 14 2.670 -1.838 -4.007 122 HG13 ILE 14 1HG1 ILE 14 1.105 -2.588 -4.305 123 HG21 ILE 14 1HG2 ILE 14 2.273 -5.239 -5.657 124 HG22 ILE 14 2HG2 ILE 14 2.162 -4.571 -7.288 125 HG23 ILE 14 3HG2 ILE 14 0.855 -4.295 -6.136 126 HD11 ILE 14 3HD1 ILE 14 2.018 -4.746 -3.537 127 HD12 ILE 14 1HD1 ILE 14 2.132 -3.485 -2.310 128 HD13 ILE 14 2HD1 ILE 14 3.564 -3.954 -3.221 129 H MET 15 H MET 15 4.123 -2.202 -8.185 130 HA MET 15 HA MET 15 4.237 -4.593 -9.743 131 HB2 MET 15 2HB MET 15 4.787 -1.761 -10.738 132 HB3 MET 15 1HB MET 15 4.219 -3.135 -11.681 133 HG2 MET 15 2HG MET 15 2.702 -1.575 -9.599 134 HG3 MET 15 1HG MET 15 2.364 -1.683 -11.321 135 HE1 MET 15 3HE MET 15 1.015 -3.608 -12.428 136 HE2 MET 15 1HE MET 15 0.828 -5.206 -11.704 137 HE3 MET 15 2HE MET 15 2.438 -4.611 -12.116 138 H GLU 16 H GLU 16 6.719 -2.255 -8.787 139 HA GLU 16 HA GLU 16 8.703 -3.157 -10.657 140 HB2 GLU 16 2HB GLU 16 9.012 -1.283 -8.289 141 HB3 GLU 16 1HB GLU 16 10.196 -1.528 -9.569 142 HG2 GLU 16 2HG GLU 16 7.482 -0.212 -9.782 143 HG3 GLU 16 1HG GLU 16 9.059 0.545 -9.948 144 H ASP 17 H ASP 17 8.255 -3.308 -7.141 145 HA ASP 17 HA ASP 17 10.603 -5.031 -6.809 146 HB2 ASP 17 2HB ASP 17 10.311 -3.132 -5.258 147 HB3 ASP 17 1HB ASP 17 8.737 -3.747 -4.772 148 H LEU 18 H LEU 18 7.178 -5.095 -5.739 149 HA LEU 18 HA LEU 18 7.366 -7.744 -4.716 150 HB2 LEU 18 2HB LEU 18 4.975 -5.943 -5.185 151 HB3 LEU 18 1HB LEU 18 4.822 -7.548 -4.496 152 HG LEU 18 HG LEU 18 4.794 -6.055 -2.644 153 HD11 LEU 18 1HD1 LEU 18 6.747 -6.669 -1.320 154 HD12 LEU 18 2HD1 LEU 18 7.628 -7.138 -2.775 155 HD13 LEU 18 3HD1 LEU 18 6.196 -8.042 -2.274 156 HD21 LEU 18 3HD2 LEU 18 5.676 -4.019 -3.724 157 HD22 LEU 18 1HD2 LEU 18 7.312 -4.685 -3.656 158 HD23 LEU 18 2HD2 LEU 18 6.439 -4.311 -2.168 159 H ILE 19 H ILE 19 6.154 -6.535 -7.828 160 HA ILE 19 HA ILE 19 5.600 -9.260 -8.749 161 HB ILE 19 HB ILE 19 5.297 -6.564 -10.123 162 HG12 ILE 19 2HG1 ILE 19 2.897 -7.189 -10.318 163 HG13 ILE 19 1HG1 ILE 19 3.222 -8.713 -9.532 164 HG21 ILE 19 1HG2 ILE 19 4.929 -9.298 -11.399 165 HG22 ILE 19 2HG2 ILE 19 6.153 -8.098 -11.821 166 HG23 ILE 19 3HG2 ILE 19 4.448 -7.765 -12.136 167 HD11 ILE 19 3HD1 ILE 19 2.110 -7.197 -8.056 168 HD12 ILE 19 1HD1 ILE 19 3.378 -5.990 -8.279 169 HD13 ILE 19 2HD1 ILE 19 3.739 -7.519 -7.465 170 H GLY 20 H GLY 20 7.656 -6.548 -9.879 171 HA2 GLY 20 2HA GLY 20 10.128 -7.217 -10.024 172 HA3 GLY 20 1HA GLY 20 9.547 -8.498 -11.083 173 HA PRO 21 HA PRO 21 10.683 -4.587 -13.545 174 HB2 PRO 21 2HB PRO 21 12.406 -5.836 -15.312 175 HB3 PRO 21 1HB PRO 21 12.925 -5.167 -13.754 176 HG2 PRO 21 2HG PRO 21 12.258 -8.013 -14.444 177 HG3 PRO 21 1HG PRO 21 13.634 -7.369 -13.513 178 HD2 PRO 21 2HD PRO 21 11.481 -8.424 -12.274 179 HD3 PRO 21 1HD PRO 21 12.359 -7.036 -11.587 180 H SER 22 H SER 22 9.605 -7.821 -14.393 181 HA SER 22 HA SER 22 8.369 -6.904 -16.906 182 HB2 SER 22 2HB SER 22 8.485 -9.694 -15.686 183 HB3 SER 22 1HB SER 22 7.919 -9.286 -17.307 184 HG SER 22 HG SER 22 10.474 -8.422 -16.672 185 H ALA 23 H ALA 23 7.257 -5.528 -14.983 186 HA ALA 23 HA ALA 23 5.163 -6.667 -13.466 187 HB1 ALA 23 3HB ALA 23 5.508 -3.804 -14.392 188 HB2 ALA 23 1HB ALA 23 6.196 -4.506 -12.923 189 HB3 ALA 23 2HB ALA 23 4.446 -4.354 -13.092 190 H LYS 24 H LYS 24 2.867 -6.237 -13.708 191 HA LYS 24 HA LYS 24 1.941 -6.441 -16.520 192 HB2 LYS 24 2HB LYS 24 0.518 -7.631 -14.112 193 HB3 LYS 24 1HB LYS 24 0.242 -7.993 -15.810 194 HG2 LYS 24 2HG LYS 24 2.649 -8.797 -14.146 195 HG3 LYS 24 1HG LYS 24 1.336 -9.853 -14.673 196 HD2 LYS 24 2HD LYS 24 2.024 -9.529 -17.035 197 HD3 LYS 24 1HD LYS 24 3.327 -8.454 -16.509 198 HE2 LYS 24 2HE LYS 24 4.302 -10.362 -15.197 199 HE3 LYS 24 1HE LYS 24 3.053 -11.414 -15.865 200 HZ1 LYS 24 3HZ LYS 24 5.071 -11.647 -17.112 201 HZ2 LYS 24 1HZ LYS 24 5.154 -9.983 -17.386 202 HZ3 LYS 24 2HZ LYS 24 3.919 -10.889 -18.082 203 H GLU 25 H GLU 25 1.605 -4.169 -16.649 204 HA GLU 25 HA GLU 25 0.131 -2.673 -14.691 205 HB2 GLU 25 2HB GLU 25 0.584 -1.800 -17.571 206 HB3 GLU 25 1HB GLU 25 0.254 -0.786 -16.173 207 HG2 GLU 25 2HG GLU 25 2.497 -0.419 -16.243 208 HG3 GLU 25 1HG GLU 25 2.561 -1.919 -15.323 209 H ASP 26 H ASP 26 -0.753 -4.695 -17.258 210 HA ASP 26 HA ASP 26 -3.218 -3.730 -18.168 211 HB2 ASP 26 2HB ASP 26 -2.217 -6.604 -17.954 212 HB3 ASP 26 1HB ASP 26 -3.596 -6.082 -18.917 213 H GLU 27 H GLU 27 -2.459 -5.039 -15.107 214 HA GLU 27 HA GLU 27 -5.309 -5.644 -14.496 215 HB2 GLU 27 2HB GLU 27 -4.498 -7.406 -12.976 216 HB3 GLU 27 1HB GLU 27 -4.019 -7.710 -14.640 217 HG2 GLU 27 2HG GLU 27 -1.754 -6.853 -14.122 218 HG3 GLU 27 1HG GLU 27 -2.247 -6.601 -12.446 219 H LEU 28 H LEU 28 -2.806 -3.559 -13.872 220 HA LEU 28 HA LEU 28 -3.134 -3.257 -11.024 221 HB2 LEU 28 2HB LEU 28 -0.956 -2.858 -12.050 222 HB3 LEU 28 1HB LEU 28 -1.637 -1.593 -13.063 223 HG LEU 28 HG LEU 28 -2.192 -0.313 -10.951 224 HD11 LEU 28 1HD1 LEU 28 -2.209 -2.121 -9.323 225 HD12 LEU 28 2HD1 LEU 28 -1.012 -0.914 -8.857 226 HD13 LEU 28 3HD1 LEU 28 -0.491 -2.425 -9.603 227 HD21 LEU 28 3HD2 LEU 28 0.107 0.482 -10.572 228 HD22 LEU 28 1HD2 LEU 28 -0.287 0.314 -12.281 229 HD23 LEU 28 2HD2 LEU 28 0.709 -0.903 -11.484 230 H ASP 29 H ASP 29 -4.558 -1.970 -10.043 231 HA ASP 29 HA ASP 29 -5.370 0.597 -11.111 232 HB2 ASP 29 2HB ASP 29 -7.431 -1.607 -10.664 233 HB3 ASP 29 1HB ASP 29 -7.878 0.072 -10.430 234 H ASP 30 H ASP 30 -6.636 1.787 -9.544 235 HA ASP 30 HA ASP 30 -5.663 1.668 -6.871 236 HB2 ASP 30 2HB ASP 30 -7.145 3.603 -6.496 237 HB3 ASP 30 1HB ASP 30 -6.217 3.799 -7.975 238 H GLN 31 H GLN 31 -8.619 0.695 -8.510 239 HA GLN 31 HA GLN 31 -9.996 -0.086 -6.059 240 HB2 GLN 31 2HB GLN 31 -10.810 -0.159 -8.987 241 HB3 GLN 31 1HB GLN 31 -11.844 -0.742 -7.683 242 HG2 GLN 31 2HG GLN 31 -11.857 1.522 -6.693 243 HG3 GLN 31 1HG GLN 31 -10.833 2.101 -8.008 244 HE21 GLN 31 1HE2 GLN 31 -14.024 0.957 -7.145 245 HE22 GLN 31 2HE2 GLN 31 -14.832 1.528 -8.559 246 H THR 32 H THR 32 -7.836 -1.581 -8.283 247 HA THR 32 HA THR 32 -8.752 -4.243 -8.260 248 HB THR 32 HB THR 32 -5.893 -3.232 -8.367 249 HG1 THR 32 HG1 THR 32 -6.323 -4.062 -10.641 250 HG21 THR 32 3HG2 THR 32 -5.314 -5.492 -9.277 251 HG22 THR 32 1HG2 THR 32 -6.948 -6.047 -8.867 252 HG23 THR 32 2HG2 THR 32 -5.831 -5.559 -7.591 253 HA PRO 33 HA PRO 33 -7.996 -4.972 -3.822 254 HB2 PRO 33 2HB PRO 33 -9.182 -7.431 -3.694 255 HB3 PRO 33 1HB PRO 33 -10.133 -5.930 -3.788 256 HG2 PRO 33 2HG PRO 33 -9.482 -7.891 -5.950 257 HG3 PRO 33 1HG PRO 33 -11.004 -7.036 -5.626 258 HD2 PRO 33 2HD PRO 33 -9.193 -6.255 -7.543 259 HD3 PRO 33 1HD PRO 33 -10.333 -5.146 -6.750 260 H LEU 34 H LEU 34 -5.823 -5.285 -3.612 261 HA LEU 34 HA LEU 34 -4.298 -7.095 -5.204 262 HB2 LEU 34 2HB LEU 34 -3.474 -5.647 -2.665 263 HB3 LEU 34 1HB LEU 34 -2.389 -6.468 -3.766 264 HG LEU 34 HG LEU 34 -2.091 -4.205 -4.282 265 HD11 LEU 34 1HD1 LEU 34 -2.967 -3.805 -6.531 266 HD12 LEU 34 2HD1 LEU 34 -4.136 -5.112 -6.322 267 HD13 LEU 34 3HD1 LEU 34 -2.406 -5.464 -6.344 268 HD21 LEU 34 3HD2 LEU 34 -5.059 -3.733 -4.225 269 HD22 LEU 34 1HD2 LEU 34 -3.819 -2.534 -4.601 270 HD23 LEU 34 2HD2 LEU 34 -3.892 -3.249 -2.992 271 H LEU 35 H LEU 35 -5.769 -7.345 -2.002 272 HA LEU 35 HA LEU 35 -4.426 -9.638 -1.023 273 HB2 LEU 35 2HB LEU 35 -7.299 -8.776 -0.595 274 HB3 LEU 35 1HB LEU 35 -6.470 -9.992 0.363 275 HG LEU 35 HG LEU 35 -5.630 -7.073 0.259 276 HD11 LEU 35 1HD1 LEU 35 -7.338 -8.499 2.320 277 HD12 LEU 35 2HD1 LEU 35 -7.902 -7.288 1.164 278 HD13 LEU 35 3HD1 LEU 35 -6.752 -6.834 2.417 279 HD21 LEU 35 3HD2 LEU 35 -4.878 -9.279 2.220 280 HD22 LEU 35 1HD2 LEU 35 -4.329 -7.599 2.266 281 HD23 LEU 35 2HD2 LEU 35 -3.830 -8.654 0.946 282 H GLU 36 H GLU 36 -7.454 -9.286 -2.796 283 HA GLU 36 HA GLU 36 -8.138 -12.031 -2.972 284 HB2 GLU 36 2HB GLU 36 -9.073 -9.552 -4.455 285 HB3 GLU 36 1HB GLU 36 -9.737 -11.141 -4.806 286 HG2 GLU 36 2HG GLU 36 -11.145 -9.743 -3.291 287 HG3 GLU 36 1HG GLU 36 -10.725 -11.327 -2.650 288 H TRP 37 H TRP 37 -6.179 -9.901 -4.904 289 HA TRP 37 HA TRP 37 -6.009 -11.809 -7.151 290 HB2 TRP 37 2HB TRP 37 -4.960 -8.984 -6.757 291 HB3 TRP 37 1HB TRP 37 -4.560 -9.960 -8.168 292 HD1 TRP 37 HD1 TRP 37 -8.066 -9.494 -6.506 293 HE1 TRP 37 HE1 TRP 37 -9.678 -8.613 -8.268 294 HE3 TRP 37 HE3 TRP 37 -4.821 -9.041 -10.403 295 HZ2 TRP 37 HZ2 TRP 37 -9.626 -7.842 -10.962 296 HZ3 TRP 37 HZ3 TRP 37 -5.698 -8.239 -12.549 297 HH2 TRP 37 HH2 TRP 37 -8.043 -7.647 -12.831 298 H GLY 38 H GLY 38 -4.612 -11.728 -4.222 299 HA2 GLY 38 2HA GLY 38 -2.951 -13.081 -3.390 300 HA3 GLY 38 1HA GLY 38 -2.627 -13.644 -5.020 301 H ILE 39 H ILE 39 -2.533 -10.272 -4.553 302 HA ILE 39 HA ILE 39 0.325 -10.129 -5.064 303 HB ILE 39 HB ILE 39 -1.817 -7.954 -4.904 304 HG12 ILE 39 2HG1 ILE 39 -0.561 -9.273 -7.353 305 HG13 ILE 39 1HG1 ILE 39 -2.196 -9.555 -6.787 306 HG21 ILE 39 1HG2 ILE 39 1.033 -7.737 -5.921 307 HG22 ILE 39 2HG2 ILE 39 0.416 -7.045 -4.420 308 HG23 ILE 39 3HG2 ILE 39 -0.179 -6.455 -5.973 309 HD11 ILE 39 3HD1 ILE 39 -1.110 -6.968 -7.890 310 HD12 ILE 39 1HD1 ILE 39 -2.758 -7.227 -7.309 311 HD13 ILE 39 2HD1 ILE 39 -2.168 -8.108 -8.720 312 H LEU 40 H LEU 40 -2.026 -9.459 -2.535 313 HA LEU 40 HA LEU 40 0.150 -9.166 -0.548 314 HB2 LEU 40 2HB LEU 40 -2.595 -7.829 -0.415 315 HB3 LEU 40 1HB LEU 40 -1.287 -7.662 0.748 316 HG LEU 40 HG LEU 40 -1.251 -6.621 -2.106 317 HD11 LEU 40 1HD1 LEU 40 -1.366 -4.389 -1.071 318 HD12 LEU 40 2HD1 LEU 40 -1.575 -5.138 0.516 319 HD13 LEU 40 3HD1 LEU 40 -2.801 -5.363 -0.742 320 HD21 LEU 40 3HD2 LEU 40 0.804 -6.337 0.103 321 HD22 LEU 40 1HD2 LEU 40 0.839 -5.493 -1.450 322 HD23 LEU 40 2HD2 LEU 40 0.979 -7.248 -1.403 323 H ASN 41 H ASN 41 -0.428 -9.998 1.549 324 HA ASN 41 HA ASN 41 -2.729 -11.261 2.421 325 HB2 ASN 41 2HB ASN 41 -2.466 -12.968 0.644 326 HB3 ASN 41 1HB ASN 41 -0.791 -13.237 1.104 327 HD21 ASN 41 1HD2 ASN 41 -1.111 -15.426 1.436 328 HD22 ASN 41 2HD2 ASN 41 -1.976 -16.060 2.788 329 H SER 42 H SER 42 0.733 -11.689 2.219 330 HA SER 42 HA SER 42 1.313 -11.591 5.023 331 HB2 SER 42 3HB SER 42 0.277 -13.842 4.850 332 HB3 SER 42 2HB SER 42 1.345 -14.272 3.531 333 H MET 43 H MET 43 3.800 -13.086 4.696 334 HA MET 43 HA MET 43 5.852 -11.992 4.619 335 HB2 MET 43 2HB MET 43 7.054 -13.104 2.710 336 HB3 MET 43 1HB MET 43 6.070 -14.176 3.694 337 HG2 MET 43 2HG MET 43 5.178 -13.021 1.058 338 HG3 MET 43 1HG MET 43 5.940 -14.597 1.248 339 HE1 MET 43 3HE MET 43 3.171 -14.334 -0.225 340 HE2 MET 43 1HE MET 43 2.720 -12.929 0.736 341 HE3 MET 43 2HE MET 43 1.725 -14.386 0.792 342 H ASN 44 H ASN 44 4.516 -11.398 1.325 343 HA ASN 44 HA ASN 44 6.505 -9.375 0.804 344 HB2 ASN 44 2HB ASN 44 5.519 -9.251 -1.419 345 HB3 ASN 44 1HB ASN 44 5.803 -10.919 -0.952 346 HD21 ASN 44 1HD2 ASN 44 4.024 -9.908 -2.997 347 HD22 ASN 44 2HD2 ASN 44 2.445 -10.453 -2.594 348 H ILE 45 H ILE 45 3.469 -9.291 2.280 349 HA ILE 45 HA ILE 45 2.615 -6.657 1.527 350 HB ILE 45 HB ILE 45 1.135 -8.593 2.362 351 HG12 ILE 45 2HG1 ILE 45 0.770 -5.884 3.737 352 HG13 ILE 45 1HG1 ILE 45 0.285 -6.250 2.083 353 HG21 ILE 45 1HG2 ILE 45 2.086 -7.663 5.108 354 HG22 ILE 45 2HG2 ILE 45 2.465 -9.218 4.359 355 HG23 ILE 45 3HG2 ILE 45 0.798 -8.832 4.800 356 HD11 ILE 45 3HD1 ILE 45 -1.312 -7.903 2.931 357 HD12 ILE 45 1HD1 ILE 45 -1.610 -6.290 3.579 358 HD13 ILE 45 2HD1 ILE 45 -0.826 -7.511 4.584 359 H VAL 46 H VAL 46 4.887 -7.962 3.719 360 HA VAL 46 HA VAL 46 4.866 -5.943 5.753 361 HB VAL 46 HB VAL 46 6.998 -8.032 5.117 362 HG11 VAL 46 1HG1 VAL 46 7.851 -6.286 6.617 363 HG12 VAL 46 2HG1 VAL 46 7.638 -7.796 7.505 364 HG13 VAL 46 3HG1 VAL 46 6.458 -6.493 7.683 365 HG21 VAL 46 3HG2 VAL 46 5.864 -9.419 6.864 366 HG22 VAL 46 1HG2 VAL 46 4.838 -9.133 5.456 367 HG23 VAL 46 2HG2 VAL 46 4.568 -8.227 6.945 368 H LYS 47 H LYS 47 6.297 -6.300 2.656 369 HA LYS 47 HA LYS 47 8.468 -4.506 2.808 370 HB2 LYS 47 2HB LYS 47 6.778 -5.475 0.482 371 HB3 LYS 47 1HB LYS 47 8.041 -4.275 0.247 372 HG2 LYS 47 2HG LYS 47 8.937 -6.427 -0.324 373 HG3 LYS 47 1HG LYS 47 9.711 -5.883 1.169 374 HD2 LYS 47 2HD LYS 47 8.208 -7.343 2.479 375 HD3 LYS 47 1HD LYS 47 7.417 -7.861 0.996 376 HE2 LYS 47 2HE LYS 47 8.974 -9.572 1.685 377 HE3 LYS 47 1HE LYS 47 9.600 -8.807 0.224 378 HZ1 LYS 47 3HZ LYS 47 11.041 -7.457 1.645 379 HZ2 LYS 47 1HZ LYS 47 11.340 -9.107 1.811 380 HZ3 LYS 47 2HZ LYS 47 10.478 -8.283 3.004 381 H LEU 48 H LEU 48 5.030 -4.039 2.493 382 HA LEU 48 HA LEU 48 5.048 -1.308 1.656 383 HB2 LEU 48 2HB LEU 48 2.880 -3.015 2.932 384 HB3 LEU 48 1HB LEU 48 2.620 -1.331 2.515 385 HG LEU 48 HG LEU 48 1.675 -2.736 0.772 386 HD11 LEU 48 1HD1 LEU 48 4.200 -1.392 -0.273 387 HD12 LEU 48 2HD1 LEU 48 2.658 -0.592 0.042 388 HD13 LEU 48 3HD1 LEU 48 2.772 -1.811 -1.224 389 HD21 LEU 48 3HD2 LEU 48 3.039 -4.771 1.070 390 HD22 LEU 48 1HD2 LEU 48 4.432 -3.952 0.354 391 HD23 LEU 48 2HD2 LEU 48 2.992 -4.270 -0.617 392 H MET 49 H MET 49 5.027 -2.921 4.799 393 HA MET 49 HA MET 49 4.308 -0.771 6.480 394 HB2 MET 49 2HB MET 49 6.305 -2.957 7.229 395 HB3 MET 49 1HB MET 49 5.309 -2.006 8.325 396 HG2 MET 49 2HG MET 49 3.302 -3.133 7.507 397 HG3 MET 49 1HG MET 49 4.278 -4.057 6.356 398 HE1 MET 49 3HE MET 49 2.435 -5.746 8.203 399 HE2 MET 49 1HE MET 49 3.534 -6.938 8.890 400 HE3 MET 49 2HE MET 49 3.660 -6.499 7.186 401 H VAL 50 H VAL 50 7.507 -1.952 5.493 402 HA VAL 50 HA VAL 50 8.976 0.127 6.820 403 HB VAL 50 HB VAL 50 9.938 -2.136 6.503 404 HG11 VAL 50 1HG1 VAL 50 9.070 -2.704 4.280 405 HG12 VAL 50 2HG1 VAL 50 10.827 -2.852 4.295 406 HG13 VAL 50 3HG1 VAL 50 10.071 -1.446 3.537 407 HG21 VAL 50 3HG2 VAL 50 11.583 0.031 5.141 408 HG22 VAL 50 1HG2 VAL 50 12.223 -1.463 5.824 409 HG23 VAL 50 2HG2 VAL 50 11.486 -0.256 6.881 410 H TYR 51 H TYR 51 7.629 -0.287 3.611 411 HA TYR 51 HA TYR 51 9.213 1.559 2.167 412 HB2 TYR 51 2HB TYR 51 7.596 -0.093 1.108 413 HB3 TYR 51 1HB TYR 51 6.273 0.929 1.643 414 HD1 TYR 51 HD1 TYR 51 9.457 1.126 -0.330 415 HD2 TYR 51 HD2 TYR 51 5.501 2.646 0.178 416 HE1 TYR 51 HE1 TYR 51 9.712 2.474 -2.366 417 HE2 TYR 51 HE2 TYR 51 5.751 3.988 -1.858 418 HH TYR 51 HH TYR 51 8.115 3.534 -4.119 419 H ILE 52 H ILE 52 6.028 1.881 3.619 420 HA ILE 52 HA ILE 52 5.596 4.617 3.055 421 HB ILE 52 HB ILE 52 4.292 2.763 5.100 422 HG12 ILE 52 2HG1 ILE 52 3.232 3.517 2.340 423 HG13 ILE 52 1HG1 ILE 52 4.290 2.133 2.569 424 HG21 ILE 52 1HG2 ILE 52 3.808 5.117 5.643 425 HG22 ILE 52 2HG2 ILE 52 2.358 4.305 5.050 426 HG23 ILE 52 3HG2 ILE 52 3.258 5.396 3.992 427 HD11 ILE 52 3HD1 ILE 52 1.597 2.491 3.857 428 HD12 ILE 52 1HD1 ILE 52 2.664 1.091 4.002 429 HD13 ILE 52 2HD1 ILE 52 1.962 1.506 2.438 430 H ARG 53 H ARG 53 7.072 2.929 5.749 431 HA ARG 53 HA ARG 53 7.451 5.086 7.534 432 HB2 ARG 53 2HB ARG 53 7.756 2.743 8.207 433 HB3 ARG 53 1HB ARG 53 9.123 2.586 7.106 434 HG2 ARG 53 2HG ARG 53 10.371 4.275 8.438 435 HG3 ARG 53 1HG ARG 53 9.006 4.385 9.553 436 HD2 ARG 53 2HD ARG 53 9.291 1.965 10.085 437 HD3 ARG 53 1HD ARG 53 10.709 1.927 9.028 438 HE ARG 53 HE ARG 53 11.798 3.489 10.526 439 HH11 ARG 53 1HH1 ARG 53 8.905 1.974 11.832 440 HH12 ARG 53 2HH1 ARG 53 9.361 2.256 13.482 441 HH21 ARG 53 1HH2 ARG 53 12.353 3.887 12.693 442 HH22 ARG 53 2HH2 ARG 53 11.305 3.339 13.966 443 H ASP 54 H ASP 54 9.397 3.922 4.797 444 HA ASP 54 HA ASP 54 11.549 5.841 5.235 445 HB2 ASP 54 2HB ASP 54 12.065 3.576 4.387 446 HB3 ASP 54 1HB ASP 54 11.038 3.844 2.986 447 H GLU 55 H GLU 55 8.614 5.673 3.438 448 HA GLU 55 HA GLU 55 9.360 7.576 1.365 449 HB2 GLU 55 2HB GLU 55 8.003 5.606 0.771 450 HB3 GLU 55 1HB GLU 55 6.779 6.063 1.947 451 HG2 GLU 55 2HG GLU 55 6.043 6.557 -0.317 452 HG3 GLU 55 1HG GLU 55 6.195 8.037 0.626 453 H MET 56 H MET 56 6.719 7.356 3.747 454 HA MET 56 HA MET 56 6.375 10.302 3.682 455 HB2 MET 56 2HB MET 56 4.463 7.999 4.205 456 HB3 MET 56 1HB MET 56 4.047 9.649 4.653 457 HG2 MET 56 2HG MET 56 3.983 10.369 2.417 458 HG3 MET 56 1HG MET 56 4.880 8.969 1.833 459 HE1 MET 56 3HE MET 56 3.819 6.900 0.878 460 HE2 MET 56 1HE MET 56 2.315 6.201 1.475 461 HE3 MET 56 2HE MET 56 3.694 6.381 2.561 462 H GLY 57 H GLY 57 7.858 8.052 5.536 463 HA2 GLY 57 2HA GLY 57 8.938 8.346 7.548 464 HA3 GLY 57 1HA GLY 57 8.083 9.861 7.773 465 H VAL 58 H VAL 58 6.057 7.163 7.108 466 HA VAL 58 HA VAL 58 5.336 6.983 9.985 467 HB VAL 58 HB VAL 58 3.752 8.520 8.950 468 HG11 VAL 58 1HG1 VAL 58 3.964 7.897 6.580 469 HG12 VAL 58 2HG1 VAL 58 2.268 7.887 7.072 470 HG13 VAL 58 3HG1 VAL 58 3.143 6.365 6.896 471 HG21 VAL 58 3HG2 VAL 58 1.622 7.381 9.439 472 HG22 VAL 58 1HG2 VAL 58 2.849 6.975 10.643 473 HG23 VAL 58 2HG2 VAL 58 2.436 5.816 9.376 474 H SER 59 H SER 59 5.502 4.945 10.642 475 HA SER 59 HA SER 59 5.492 2.653 8.896 476 HB2 SER 59 2HB SER 59 5.362 2.806 11.943 477 HB3 SER 59 1HB SER 59 5.801 1.384 10.990 478 HG SER 59 HG SER 59 7.209 3.834 11.223 479 H ILE 60 H ILE 60 3.698 1.355 8.416 480 HA ILE 60 HA ILE 60 1.106 1.793 9.605 481 HB ILE 60 HB ILE 60 2.034 -0.732 8.148 482 HG12 ILE 60 2HG1 ILE 60 2.105 1.512 6.784 483 HG13 ILE 60 1HG1 ILE 60 1.284 0.126 6.077 484 HG21 ILE 60 1HG2 ILE 60 -0.760 0.296 8.833 485 HG22 ILE 60 2HG2 ILE 60 0.047 -1.112 9.523 486 HG23 ILE 60 3HG2 ILE 60 -0.420 -1.117 7.825 487 HD11 ILE 60 3HD1 ILE 60 -0.055 2.428 7.487 488 HD12 ILE 60 1HD1 ILE 60 -0.882 1.045 6.769 489 HD13 ILE 60 2HD1 ILE 60 0.016 2.173 5.747 490 HA PRO 61 HA PRO 61 2.592 -0.340 13.375 491 HB2 PRO 61 2HB PRO 61 0.256 -0.032 14.834 492 HB3 PRO 61 1HB PRO 61 1.469 1.249 14.650 493 HG2 PRO 61 2HG PRO 61 -1.095 0.859 13.154 494 HG3 PRO 61 1HG PRO 61 -0.397 2.351 13.826 495 HD2 PRO 61 2HD PRO 61 -0.206 1.755 11.202 496 HD3 PRO 61 1HD PRO 61 1.095 2.609 12.057 497 H SER 62 H SER 62 1.991 -2.313 14.555 498 HA SER 62 HA SER 62 1.201 -4.345 12.719 499 HB2 SER 62 2HB SER 62 1.581 -5.913 14.625 500 HB3 SER 62 1HB SER 62 2.930 -4.816 14.363 501 HG SER 62 HG SER 62 2.506 -3.807 16.197 502 H THR 63 H THR 63 -0.563 -2.532 15.102 503 HA THR 63 HA THR 63 -2.887 -4.214 15.255 504 HB THR 63 HB THR 63 -2.379 -2.616 17.040 505 HG1 THR 63 HG1 THR 63 -4.712 -3.064 16.106 506 HG21 THR 63 3HG2 THR 63 -1.367 -0.795 15.695 507 HG22 THR 63 1HG2 THR 63 -2.640 -0.188 16.759 508 HG23 THR 63 2HG2 THR 63 -2.958 -0.402 15.037 509 H HIS 64 H HIS 64 -1.704 -1.965 12.940 510 HA HIS 64 HA HIS 64 -4.285 -1.774 11.515 511 HB2 HIS 64 2HB HIS 64 -1.887 0.051 11.595 512 HB3 HIS 64 1HB HIS 64 -3.014 0.108 10.236 513 HD1 HIS 64 HD1 HIS 64 -4.779 -0.649 13.370 514 HD2 HIS 64 HD2 HIS 64 -3.584 2.753 11.297 515 HE1 HIS 64 HE1 HIS 64 -6.207 1.210 14.247 516 HE2 HIS 64 HE2 HIS 64 -5.512 3.244 12.949 517 H ILE 65 H ILE 65 -1.648 -3.700 11.494 518 HA ILE 65 HA ILE 65 -1.624 -4.205 8.642 519 HB ILE 65 HB ILE 65 -0.799 -6.102 10.891 520 HG12 ILE 65 2HG1 ILE 65 0.549 -4.093 11.086 521 HG13 ILE 65 1HG1 ILE 65 1.551 -5.344 10.357 522 HG21 ILE 65 1HG2 ILE 65 0.526 -7.252 9.134 523 HG22 ILE 65 2HG2 ILE 65 -0.127 -6.148 7.920 524 HG23 ILE 65 3HG2 ILE 65 -1.200 -7.268 8.766 525 HD11 ILE 65 3HD1 ILE 65 1.863 -3.148 9.325 526 HD12 ILE 65 1HD1 ILE 65 0.166 -3.130 8.851 527 HD13 ILE 65 2HD1 ILE 65 1.257 -4.338 8.170 528 H THR 66 H THR 66 -3.703 -4.466 7.970 529 HA THR 66 HA THR 66 -4.938 -6.980 8.617 530 HB THR 66 HB THR 66 -5.984 -5.776 10.395 531 HG1 THR 66 HG1 THR 66 -7.590 -6.905 9.498 532 HG21 THR 66 3HG2 THR 66 -6.672 -3.548 8.449 533 HG22 THR 66 1HG2 THR 66 -5.435 -3.473 9.712 534 HG23 THR 66 2HG2 THR 66 -7.136 -3.620 10.149 535 H GLY 67 H GLY 67 -6.643 -7.542 7.203 536 HA2 GLY 67 2HA GLY 67 -6.167 -7.072 4.509 537 HA3 GLY 67 1HA GLY 67 -7.605 -7.830 5.173 538 H LYS 68 H LYS 68 -8.743 -5.757 6.592 539 HA LYS 68 HA LYS 68 -10.205 -4.374 4.642 540 HB2 LYS 68 2HB LYS 68 -11.127 -3.057 6.564 541 HB3 LYS 68 1HB LYS 68 -11.158 -4.801 6.808 542 HG2 LYS 68 2HG LYS 68 -9.102 -4.618 8.197 543 HG3 LYS 68 1HG LYS 68 -9.153 -2.866 8.003 544 HD2 LYS 68 2HD LYS 68 -11.327 -2.791 9.168 545 HD3 LYS 68 1HD LYS 68 -11.312 -4.552 9.324 546 HE2 LYS 68 2HE LYS 68 -9.233 -4.382 10.693 547 HE3 LYS 68 1HE LYS 68 -9.329 -2.623 10.590 548 HZ1 LYS 68 3HZ LYS 68 -10.216 -3.473 12.665 549 HZ2 LYS 68 1HZ LYS 68 -11.360 -4.393 11.831 550 HZ3 LYS 68 2HZ LYS 68 -11.425 -2.710 11.771 551 H TYR 69 H TYR 69 -7.183 -3.526 6.100 552 HA TYR 69 HA TYR 69 -7.267 -0.727 5.246 553 HB2 TYR 69 2HB TYR 69 -5.420 -2.339 7.019 554 HB3 TYR 69 1HB TYR 69 -4.865 -0.807 6.343 555 HD1 TYR 69 HD2 TYR 69 -8.427 -1.346 7.376 556 HD2 TYR 69 HD1 TYR 69 -4.651 0.321 8.477 557 HE1 TYR 69 HE2 TYR 69 -9.509 -0.068 9.158 558 HE2 TYR 69 HE1 TYR 69 -5.749 1.599 10.236 559 HH TYR 69 HH TYR 69 -7.986 2.482 10.741 560 H PHE 70 H PHE 70 -5.824 -3.760 4.307 561 HA PHE 70 HA PHE 70 -4.203 -2.439 2.187 562 HB2 PHE 70 2HB PHE 70 -3.864 -5.116 3.604 563 HB3 PHE 70 1HB PHE 70 -2.956 -4.683 2.163 564 HD1 PHE 70 HD1 PHE 70 -1.388 -2.691 2.240 565 HD2 PHE 70 HD2 PHE 70 -3.151 -4.322 5.783 566 HE1 PHE 70 HE1 PHE 70 0.334 -1.597 3.604 567 HE2 PHE 70 HE2 PHE 70 -1.426 -3.221 7.137 568 HZ PHE 70 HZ PHE 70 0.319 -1.857 6.051 569 H LYS 71 H LYS 71 -7.151 -3.226 2.152 570 HA LYS 71 HA LYS 71 -7.693 -5.368 0.456 571 HB2 LYS 71 2HB LYS 71 -9.030 -2.652 0.656 572 HB3 LYS 71 1HB LYS 71 -9.668 -3.946 -0.355 573 HG2 LYS 71 2HG LYS 71 -9.987 -5.354 1.614 574 HG3 LYS 71 1HG LYS 71 -9.295 -4.094 2.640 575 HD2 LYS 71 2HD LYS 71 -11.751 -4.089 2.751 576 HD3 LYS 71 1HD LYS 71 -11.140 -2.579 2.078 577 HE2 LYS 71 2HE LYS 71 -11.968 -4.795 0.219 578 HE3 LYS 71 1HE LYS 71 -13.209 -3.802 0.969 579 HZ1 LYS 71 3HZ LYS 71 -10.993 -2.824 -0.747 580 HZ2 LYS 71 1HZ LYS 71 -12.171 -1.853 -0.023 581 HZ3 LYS 71 2HZ LYS 71 -12.609 -2.979 -1.203 582 H ASP 72 H ASP 72 -7.177 -2.017 -0.369 583 HA ASP 72 HA ASP 72 -5.902 -2.482 -2.898 584 HB2 ASP 72 2HB ASP 72 -7.739 -1.116 -4.139 585 HB3 ASP 72 1HB ASP 72 -8.102 -2.797 -3.775 586 H LEU 73 H LEU 73 -6.042 -0.056 -4.043 587 HA LEU 73 HA LEU 73 -4.378 1.511 -2.357 588 HB2 LEU 73 2HB LEU 73 -4.170 1.480 -4.831 589 HB3 LEU 73 1HB LEU 73 -5.711 2.312 -4.959 590 HG LEU 73 HG LEU 73 -4.719 4.274 -3.740 591 HD11 LEU 73 1HD1 LEU 73 -2.262 4.394 -3.457 592 HD12 LEU 73 2HD1 LEU 73 -2.120 2.712 -3.965 593 HD13 LEU 73 3HD1 LEU 73 -2.971 3.119 -2.472 594 HD21 LEU 73 3HD2 LEU 73 -4.814 4.314 -6.176 595 HD22 LEU 73 1HD2 LEU 73 -3.283 3.442 -6.281 596 HD23 LEU 73 2HD2 LEU 73 -3.326 5.078 -5.626 597 H ASN 74 H ASN 74 -7.819 1.597 -3.082 598 HA ASN 74 HA ASN 74 -8.330 4.234 -2.058 599 HB2 ASN 74 2HB ASN 74 -10.299 1.925 -2.278 600 HB3 ASN 74 1HB ASN 74 -10.691 3.638 -2.166 601 HD21 ASN 74 1HD2 ASN 74 -8.519 4.373 -4.137 602 HD22 ASN 74 2HD2 ASN 74 -9.152 3.896 -5.664 603 H ALA 75 H ALA 75 -8.045 1.042 -0.638 604 HA ALA 75 HA ALA 75 -9.021 1.765 1.980 605 HB1 ALA 75 3HB ALA 75 -9.059 -0.573 1.208 606 HB2 ALA 75 1HB ALA 75 -8.091 -0.416 2.679 607 HB3 ALA 75 2HB ALA 75 -7.297 -0.580 1.110 608 H ILE 76 H ILE 76 -5.814 1.326 0.521 609 HA ILE 76 HA ILE 76 -4.247 1.935 2.816 610 HB ILE 76 HB ILE 76 -3.529 1.848 -0.143 611 HG12 ILE 76 2HG1 ILE 76 -2.979 -0.106 2.130 612 HG13 ILE 76 1HG1 ILE 76 -4.215 -0.322 0.894 613 HG21 ILE 76 1HG2 ILE 76 -1.595 2.077 2.203 614 HG22 ILE 76 2HG2 ILE 76 -1.913 3.341 1.013 615 HG23 ILE 76 3HG2 ILE 76 -1.137 1.839 0.512 616 HD11 ILE 76 3HD1 ILE 76 -2.302 -1.703 0.449 617 HD12 ILE 76 1HD1 ILE 76 -1.231 -0.303 0.478 618 HD13 ILE 76 2HD1 ILE 76 -2.439 -0.469 -0.805 619 H SER 77 H SER 77 -5.616 3.982 0.278 620 HA SER 77 HA SER 77 -4.062 6.318 0.780 621 HB2 SER 77 2HB SER 77 -5.973 7.522 -0.380 622 HB3 SER 77 1HB SER 77 -5.332 6.155 -1.292 623 HG SER 77 HG SER 77 -7.832 6.527 -0.251 624 H ARG 78 H ARG 78 -7.128 5.101 2.035 625 HA ARG 78 HA ARG 78 -7.702 7.339 3.741 626 HB2 ARG 78 2HB ARG 78 -8.832 4.509 3.692 627 HB3 ARG 78 1HB ARG 78 -9.500 5.837 4.641 628 HG2 ARG 78 2HG ARG 78 -9.286 5.807 1.612 629 HG3 ARG 78 1HG ARG 78 -10.742 5.410 2.526 630 HD2 ARG 78 2HD ARG 78 -9.319 8.095 2.608 631 HD3 ARG 78 1HD ARG 78 -10.755 7.737 1.641 632 HE ARG 78 HE ARG 78 -11.631 7.059 4.053 633 HH11 ARG 78 1HH1 ARG 78 -9.874 9.950 3.120 634 HH12 ARG 78 2HH1 ARG 78 -10.597 10.929 4.358 635 HH21 ARG 78 1HH2 ARG 78 -12.538 8.352 5.682 636 HH22 ARG 78 2HH2 ARG 78 -12.100 10.024 5.806 637 H THR 79 H THR 79 -5.964 4.338 4.094 638 HA THR 79 HA THR 79 -5.777 4.330 6.957 639 HB THR 79 HB THR 79 -4.208 2.849 4.806 640 HG1 THR 79 HG1 THR 79 -6.160 1.956 4.868 641 HG21 THR 79 3HG2 THR 79 -3.377 1.361 6.625 642 HG22 THR 79 1HG2 THR 79 -4.088 2.440 7.824 643 HG23 THR 79 2HG2 THR 79 -2.765 3.009 6.804 644 H VAL 80 H VAL 80 -3.628 5.296 4.326 645 HA VAL 80 HA VAL 80 -1.379 5.760 6.021 646 HB VAL 80 HB VAL 80 -1.280 5.034 3.580 647 HG11 VAL 80 1HG1 VAL 80 -2.876 6.612 2.595 648 HG12 VAL 80 2HG1 VAL 80 -1.301 6.754 1.815 649 HG13 VAL 80 3HG1 VAL 80 -1.811 7.970 2.986 650 HG21 VAL 80 3HG2 VAL 80 0.399 7.445 4.348 651 HG22 VAL 80 1HG2 VAL 80 0.789 6.276 3.084 652 HG23 VAL 80 2HG2 VAL 80 0.725 5.762 4.770 653 H GLU 81 H GLU 81 -3.990 7.754 4.741 654 HA GLU 81 HA GLU 81 -2.766 10.275 5.420 655 HB2 GLU 81 2HB GLU 81 -4.852 11.325 4.792 656 HB3 GLU 81 1HB GLU 81 -4.500 10.058 3.622 657 HG2 GLU 81 2HG GLU 81 -6.156 8.588 4.656 658 HG3 GLU 81 1HG GLU 81 -6.474 9.787 5.908 659 H GLN 82 H GLN 82 -5.062 8.061 6.981 660 HA GLN 82 HA GLN 82 -5.804 9.825 9.088 661 HB2 GLN 82 2HB GLN 82 -7.075 8.058 10.004 662 HB3 GLN 82 1HB GLN 82 -7.139 7.797 8.268 663 HG2 GLN 82 2HG GLN 82 -5.389 6.035 8.517 664 HG3 GLN 82 1HG GLN 82 -5.433 6.266 10.258 665 HE21 GLN 82 1HE2 GLN 82 -8.230 6.235 8.060 666 HE22 GLN 82 2HE2 GLN 82 -8.950 4.812 8.716 667 H LEU 83 H LEU 83 -3.142 7.645 8.637 668 HA LEU 83 HA LEU 83 -2.301 7.497 11.362 669 HB2 LEU 83 2HB LEU 83 -0.830 7.015 8.754 670 HB3 LEU 83 1HB LEU 83 -0.116 6.738 10.339 671 HG LEU 83 HG LEU 83 -2.589 5.308 9.289 672 HD11 LEU 83 1HD1 LEU 83 -0.568 4.657 8.051 673 HD12 LEU 83 2HD1 LEU 83 -1.142 3.343 9.074 674 HD13 LEU 83 3HD1 LEU 83 0.259 4.298 9.571 675 HD21 LEU 83 3HD2 LEU 83 -0.965 4.876 11.824 676 HD22 LEU 83 1HD2 LEU 83 -2.269 3.829 11.250 677 HD23 LEU 83 2HD2 LEU 83 -2.619 5.487 11.726 678 H LYS 84 H LYS 84 -1.202 9.437 8.574 679 HA LYS 84 HA LYS 84 0.658 11.027 10.057 680 HB2 LYS 84 2HB LYS 84 -0.629 11.457 7.333 681 HB3 LYS 84 1HB LYS 84 0.623 12.514 7.988 682 HG2 LYS 84 2HG LYS 84 2.202 10.653 8.069 683 HG3 LYS 84 1HG LYS 84 0.964 9.542 7.493 684 HD2 LYS 84 2HD LYS 84 1.760 11.941 5.819 685 HD3 LYS 84 1HD LYS 84 2.749 10.480 5.809 686 HE2 LYS 84 2HE LYS 84 1.249 10.316 3.949 687 HE3 LYS 84 1HE LYS 84 0.670 9.190 5.174 688 HZ1 LYS 84 3HZ LYS 84 -0.991 10.817 5.815 689 HZ2 LYS 84 1HZ LYS 84 -1.137 10.403 4.184 690 HZ3 LYS 84 2HZ LYS 84 -0.446 11.877 4.622 691 H ALA 85 H ALA 85 -2.735 11.161 9.680 692 HA ALA 85 HA ALA 85 -3.038 13.877 10.628 693 HB1 ALA 85 3HB ALA 85 -5.105 11.686 10.324 694 HB2 ALA 85 1HB ALA 85 -4.682 12.889 9.098 695 HB3 ALA 85 2HB ALA 85 -5.429 13.397 10.614 696 H GLU 86 H GLU 86 -3.601 10.606 12.043 697 HA GLU 86 HA GLU 86 -4.480 11.754 14.575 698 HB2 GLU 86 2HB GLU 86 -4.157 8.844 13.755 699 HB3 GLU 86 1HB GLU 86 -4.835 9.380 15.288 700 HG2 GLU 86 2HG GLU 86 -6.016 9.789 12.517 701 HG3 GLU 86 1HG GLU 86 -6.622 8.737 13.794 702 H SER 87 H SER 87 -1.864 9.505 13.613 703 HA SER 87 HA SER 87 -0.395 9.723 16.071 704 HB2 SER 87 2HB SER 87 -0.134 7.772 14.563 705 HB3 SER 87 1HB SER 87 0.523 8.817 13.309 706 HG SER 87 HG SER 87 2.323 9.165 14.548 707 H ALA 88 H ALA 88 -0.770 11.763 13.378 708 HA ALA 88 HA ALA 88 0.027 13.752 12.751 709 HB1 ALA 88 3HB ALA 88 0.349 14.366 15.112 710 HB2 ALA 88 1HB ALA 88 1.643 15.039 14.115 711 HB3 ALA 88 2HB ALA 88 1.938 13.604 15.105 712 H LEU 89 H LEU 89 1.907 14.687 11.645 713 HA LEU 89 HA LEU 89 3.463 12.681 10.270 714 HB2 LEU 89 2HB LEU 89 4.411 14.760 9.074 715 HB3 LEU 89 1HB LEU 89 2.716 14.367 8.860 716 HG LEU 89 HG LEU 89 2.190 16.151 10.631 717 HD11 LEU 89 1HD1 LEU 89 4.395 16.435 11.661 718 HD12 LEU 89 2HD1 LEU 89 3.834 17.959 10.980 719 HD13 LEU 89 3HD1 LEU 89 5.057 17.013 10.128 720 HD21 LEU 89 3HD2 LEU 89 3.453 17.044 8.029 721 HD22 LEU 89 1HD2 LEU 89 2.312 17.979 8.999 722 HD23 LEU 89 2HD2 LEU 89 1.794 16.473 8.240 723 H GLU 90 H GLU 90 3.870 14.445 13.115 724 HA GLU 90 HA GLU 90 6.816 14.409 13.077 725 HB2 GLU 90 2HB GLU 90 6.515 15.902 15.157 726 HB3 GLU 90 1HB GLU 90 6.077 16.598 13.602 727 HG2 GLU 90 2HG GLU 90 3.673 16.052 14.094 728 HG3 GLU 90 1HG GLU 90 4.166 15.520 15.702 729 H281 4EM 101 2H28 PYA 142 0.971 -11.610 7.924 730 H283 4EM 101 3H28 PYA 142 2.081 -12.285 9.113 731 H303 4EM 101 3H30 PYA 142 -2.120 -13.008 9.383 732 H301 4EM 101 1H30 PYA 142 -1.181 -13.726 8.073 733 H302 4EM 101 2H30 PYA 142 -1.470 -11.985 8.114 734 H312 4EM 101 2H31 PYA 142 -0.320 -10.555 9.819 735 H313 4EM 101 3H31 PYA 142 -0.933 -11.560 11.133 736 H311 4EM 101 1H31 PYA 142 0.806 -11.278 10.988 737 H32 4EM 101 H32 PYA 142 0.403 -14.765 9.745 738 H33 4EM 101 H33 PYA 142 1.661 -14.441 11.722 739 H36 4EM 101 H36 PYA 142 -2.301 -13.242 10.735 740 H373 4EM 101 3H37 PYA 142 -3.529 -15.087 12.177 741 H372 4EM 101 2H37 PYA 142 -2.617 -14.248 13.432 742 H382 4EM 101 2H38 PYA 142 -4.932 -13.416 13.260 743 H383 4EM 101 3H38 PYA 142 -4.649 -12.965 11.579 744 H41 4EM 101 H41 PYA 142 -4.602 -10.794 11.485 745 H423 4EM 101 3H42 PYA 142 -3.487 -9.150 13.633 746 H422 4EM 101 2H42 PYA 142 -4.437 -8.611 12.253 747 H433 4EM 101 3H43 PYA 142 -1.579 -9.562 12.092 748 H432 4EM 101 2H43 PYA 142 -2.074 -7.874 12.167 749 H44 4EM 101 H44 PYA 142 -2.249 -7.949 10.102 750 H49 4EM 101 H49 PYA 142 -0.924 -10.133 7.789 751 H51 4EM 101 H51 PYA 142 -1.626 -9.079 5.501 752 H50 4EM 101 H50 PYA 142 -3.965 -7.974 5.818 753 H48 4EM 101 H48 PYA 142 -4.711 -8.491 8.223 Start of MODEL 19 1 H1 MET 1 1H MET 1 5.999 16.383 -2.128 2 H2 MET 1 2H MET 1 5.692 17.852 -2.897 3 H3 MET 1 3H MET 1 6.681 16.707 -3.639 4 HA MET 1 HA MET 1 4.483 16.773 -4.634 5 HB2 MET 1 2HB MET 1 5.047 14.206 -3.076 6 HB3 MET 1 1HB MET 1 3.986 14.328 -4.480 7 HG2 MET 1 2HG MET 1 6.103 13.392 -5.156 8 HG3 MET 1 1HG MET 1 5.941 15.001 -5.861 9 HE1 MET 1 3HE MET 1 9.817 14.808 -5.233 10 HE2 MET 1 1HE MET 1 8.548 15.096 -6.423 11 HE3 MET 1 2HE MET 1 8.781 13.480 -5.751 12 H ASP 2 H ASP 2 2.181 16.140 -4.357 13 HA ASP 2 HA ASP 2 1.004 17.502 -2.140 14 HB2 ASP 2 2HB ASP 2 -0.425 15.685 -4.135 15 HB3 ASP 2 1HB ASP 2 -1.144 16.975 -3.168 16 H GLY 3 H GLY 3 1.543 14.121 -2.915 17 HA2 GLY 3 2HA GLY 3 1.849 12.607 -0.976 18 HA3 GLY 3 1HA GLY 3 0.355 13.261 -0.318 19 H GLU 4 H GLU 4 -0.809 13.279 -3.146 20 HA GLU 4 HA GLU 4 -2.007 10.666 -2.927 21 HB2 GLU 4 2HB GLU 4 -2.506 12.876 -4.941 22 HB3 GLU 4 1HB GLU 4 -3.428 11.378 -4.861 23 HG2 GLU 4 2HG GLU 4 -3.719 12.159 -2.293 24 HG3 GLU 4 1HG GLU 4 -3.477 13.740 -3.023 25 H GLU 5 H GLU 5 0.284 12.154 -5.101 26 HA GLU 5 HA GLU 5 0.596 10.017 -6.921 27 HB2 GLU 5 2HB GLU 5 1.545 12.219 -7.392 28 HB3 GLU 5 1HB GLU 5 2.578 12.124 -5.965 29 HG2 GLU 5 2HG GLU 5 3.757 10.180 -7.003 30 HG3 GLU 5 1HG GLU 5 2.764 10.386 -8.444 31 H VAL 6 H VAL 6 1.889 10.621 -3.676 32 HA VAL 6 HA VAL 6 3.814 8.532 -3.718 33 HB VAL 6 HB VAL 6 2.431 9.633 -1.258 34 HG11 VAL 6 1HG1 VAL 6 4.497 8.952 -0.082 35 HG12 VAL 6 2HG1 VAL 6 5.133 8.297 -1.592 36 HG13 VAL 6 3HG1 VAL 6 3.706 7.572 -0.847 37 HG21 VAL 6 3HG2 VAL 6 3.352 11.505 -2.552 38 HG22 VAL 6 1HG2 VAL 6 4.919 10.692 -2.637 39 HG23 VAL 6 2HG2 VAL 6 4.296 11.252 -1.083 40 H LYS 7 H LYS 7 0.397 8.670 -2.982 41 HA LYS 7 HA LYS 7 0.094 6.037 -1.990 42 HB2 LYS 7 2HB LYS 7 -1.899 7.946 -3.239 43 HB3 LYS 7 1HB LYS 7 -2.350 6.369 -2.596 44 HG2 LYS 7 2HG LYS 7 -1.469 7.062 -0.361 45 HG3 LYS 7 1HG LYS 7 -1.108 8.660 -1.019 46 HD2 LYS 7 2HD LYS 7 -3.848 7.386 -0.745 47 HD3 LYS 7 1HD LYS 7 -3.203 8.691 0.244 48 HE2 LYS 7 2HE LYS 7 -3.164 10.172 -1.702 49 HE3 LYS 7 1HE LYS 7 -3.746 8.862 -2.733 50 HZ1 LYS 7 3HZ LYS 7 -5.527 10.341 -2.097 51 HZ2 LYS 7 1HZ LYS 7 -5.224 10.062 -0.459 52 HZ3 LYS 7 2HZ LYS 7 -5.779 8.804 -1.438 53 H GLU 8 H GLU 8 -0.122 7.341 -5.360 54 HA GLU 8 HA GLU 8 -0.747 4.761 -6.435 55 HB2 GLU 8 2HB GLU 8 -0.312 5.593 -8.656 56 HB3 GLU 8 1HB GLU 8 -1.232 6.797 -7.766 57 HG2 GLU 8 2HG GLU 8 0.605 8.262 -7.606 58 HG3 GLU 8 1HG GLU 8 1.772 7.002 -7.986 59 H LYS 9 H LYS 9 2.267 6.430 -5.701 60 HA LYS 9 HA LYS 9 4.067 4.672 -6.996 61 HB2 LYS 9 2HB LYS 9 4.484 6.415 -4.539 62 HB3 LYS 9 1HB LYS 9 5.774 5.534 -5.346 63 HG2 LYS 9 2HG LYS 9 5.245 6.863 -7.438 64 HG3 LYS 9 1HG LYS 9 4.162 7.844 -6.454 65 HD2 LYS 9 2HD LYS 9 7.163 7.520 -6.098 66 HD3 LYS 9 1HD LYS 9 6.310 8.968 -6.633 67 HE2 LYS 9 2HE LYS 9 5.265 9.203 -4.416 68 HE3 LYS 9 1HE LYS 9 6.034 7.708 -3.878 69 HZ1 LYS 9 3HZ LYS 9 7.511 10.118 -4.749 70 HZ2 LYS 9 1HZ LYS 9 8.161 8.716 -4.083 71 HZ3 LYS 9 2HZ LYS 9 7.176 9.706 -3.147 72 H ILE 10 H ILE 10 2.277 4.358 -4.024 73 HA ILE 10 HA ILE 10 3.649 2.201 -2.840 74 HB ILE 10 HB ILE 10 0.622 2.594 -2.910 75 HG12 ILE 10 2HG1 ILE 10 1.601 4.681 -2.121 76 HG13 ILE 10 1HG1 ILE 10 0.852 3.850 -0.772 77 HG21 ILE 10 1HG2 ILE 10 0.629 1.427 -0.744 78 HG22 ILE 10 2HG2 ILE 10 2.371 1.178 -0.886 79 HG23 ILE 10 3HG2 ILE 10 1.271 0.420 -2.040 80 HD11 ILE 10 3HD1 ILE 10 3.078 3.118 -0.018 81 HD12 ILE 10 1HD1 ILE 10 2.920 4.872 -0.108 82 HD13 ILE 10 2HD1 ILE 10 3.798 4.008 -1.365 83 H ARG 11 H ARG 11 1.154 2.336 -5.347 84 HA ARG 11 HA ARG 11 0.880 -0.497 -5.700 85 HB2 ARG 11 2HB ARG 11 -0.328 1.962 -6.928 86 HB3 ARG 11 1HB ARG 11 -0.443 0.458 -7.842 87 HG2 ARG 11 2HG ARG 11 -2.426 0.887 -6.412 88 HG3 ARG 11 1HG ARG 11 -1.612 -0.626 -6.059 89 HD2 ARG 11 2HD ARG 11 -0.386 0.819 -4.195 90 HD3 ARG 11 1HD ARG 11 -1.793 1.861 -4.394 91 HE ARG 11 HE ARG 11 -2.687 -0.760 -4.084 92 HH11 ARG 11 1HH1 ARG 11 -1.150 1.736 -2.139 93 HH12 ARG 11 2HH1 ARG 11 -1.774 1.111 -0.650 94 HH21 ARG 11 1HH2 ARG 11 -3.425 -1.592 -2.150 95 HH22 ARG 11 2HH2 ARG 11 -3.076 -0.787 -0.666 96 H ARG 12 H ARG 12 2.527 2.085 -7.429 97 HA ARG 12 HA ARG 12 3.523 0.624 -9.623 98 HB2 ARG 12 2HB ARG 12 4.503 3.095 -8.176 99 HB3 ARG 12 1HB ARG 12 5.539 2.350 -9.383 100 HG2 ARG 12 2HG ARG 12 4.190 4.285 -10.223 101 HG3 ARG 12 1HG ARG 12 3.968 2.795 -11.139 102 HD2 ARG 12 2HD ARG 12 1.823 2.417 -10.185 103 HD3 ARG 12 1HD ARG 12 2.084 3.629 -8.937 104 HE ARG 12 HE ARG 12 2.114 5.268 -10.888 105 HH11 ARG 12 1HH1 ARG 12 0.130 2.373 -10.868 106 HH12 ARG 12 2HH1 ARG 12 -1.090 3.060 -11.889 107 HH21 ARG 12 1HH2 ARG 12 0.508 6.185 -12.145 108 HH22 ARG 12 2HH2 ARG 12 -0.872 5.244 -12.619 109 H TYR 13 H TYR 13 5.058 1.387 -6.510 110 HA TYR 13 HA TYR 13 7.414 0.007 -6.542 111 HB2 TYR 13 2HB TYR 13 6.791 1.425 -4.697 112 HB3 TYR 13 1HB TYR 13 5.412 0.417 -4.296 113 HD1 TYR 13 HD1 TYR 13 9.146 -0.125 -4.689 114 HD2 TYR 13 HD2 TYR 13 5.657 -0.722 -2.282 115 HE1 TYR 13 HE1 TYR 13 10.514 -1.226 -2.968 116 HE2 TYR 13 HE2 TYR 13 7.025 -1.819 -0.572 117 HH TYR 13 HH TYR 13 10.393 -1.678 -0.527 118 H ILE 14 H ILE 14 4.252 -1.387 -5.709 119 HA ILE 14 HA ILE 14 5.080 -3.959 -4.982 120 HB ILE 14 HB ILE 14 2.456 -3.047 -6.230 121 HG12 ILE 14 2HG1 ILE 14 2.902 -1.973 -4.070 122 HG13 ILE 14 1HG1 ILE 14 1.605 -3.144 -3.884 123 HG21 ILE 14 1HG2 ILE 14 1.459 -5.116 -5.280 124 HG22 ILE 14 2HG2 ILE 14 3.079 -5.688 -4.869 125 HG23 ILE 14 3HG2 ILE 14 2.626 -5.449 -6.557 126 HD11 ILE 14 3HD1 ILE 14 3.100 -3.250 -2.009 127 HD12 ILE 14 1HD1 ILE 14 4.485 -3.519 -3.058 128 HD13 ILE 14 2HD1 ILE 14 3.222 -4.749 -2.922 129 H MET 15 H MET 15 4.059 -2.760 -8.169 130 HA MET 15 HA MET 15 4.372 -5.306 -9.495 131 HB2 MET 15 2HB MET 15 4.060 -2.513 -10.691 132 HB3 MET 15 1HB MET 15 3.738 -4.046 -11.505 133 HG2 MET 15 2HG MET 15 2.233 -3.030 -9.082 134 HG3 MET 15 1HG MET 15 1.680 -2.884 -10.748 135 HE1 MET 15 3HE MET 15 0.784 -6.447 -11.774 136 HE2 MET 15 1HE MET 15 2.203 -5.481 -12.178 137 HE3 MET 15 2HE MET 15 0.606 -4.718 -12.109 138 H GLU 16 H GLU 16 6.294 -2.345 -9.229 139 HA GLU 16 HA GLU 16 8.220 -2.891 -11.232 140 HB2 GLU 16 2HB GLU 16 8.514 -1.129 -8.769 141 HB3 GLU 16 1HB GLU 16 9.580 -1.117 -10.165 142 HG2 GLU 16 2HG GLU 16 6.739 -0.135 -9.975 143 HG3 GLU 16 1HG GLU 16 8.189 0.782 -10.339 144 H ASP 17 H ASP 17 7.943 -3.783 -7.833 145 HA ASP 17 HA ASP 17 10.772 -4.725 -7.800 146 HB2 ASP 17 2HB ASP 17 10.301 -2.596 -6.504 147 HB3 ASP 17 1HB ASP 17 9.215 -3.519 -5.471 148 H LEU 18 H LEU 18 7.642 -5.123 -6.110 149 HA LEU 18 HA LEU 18 8.477 -7.470 -4.707 150 HB2 LEU 18 2HB LEU 18 5.768 -6.130 -5.016 151 HB3 LEU 18 1HB LEU 18 5.965 -7.608 -4.099 152 HG LEU 18 HG LEU 18 5.942 -5.782 -2.535 153 HD11 LEU 18 1HD1 LEU 18 7.509 -7.588 -2.014 154 HD12 LEU 18 2HD1 LEU 18 8.071 -6.045 -1.389 155 HD13 LEU 18 3HD1 LEU 18 8.810 -6.721 -2.839 156 HD21 LEU 18 3HD2 LEU 18 6.524 -3.923 -4.021 157 HD22 LEU 18 1HD2 LEU 18 8.198 -4.479 -4.093 158 HD23 LEU 18 2HD2 LEU 18 7.518 -3.900 -2.569 159 H ILE 19 H ILE 19 6.356 -6.977 -7.527 160 HA ILE 19 HA ILE 19 5.959 -9.763 -8.074 161 HB ILE 19 HB ILE 19 5.571 -7.241 -9.740 162 HG12 ILE 19 2HG1 ILE 19 3.186 -7.913 -9.778 163 HG13 ILE 19 1HG1 ILE 19 3.570 -9.380 -8.906 164 HG21 ILE 19 1HG2 ILE 19 6.389 -8.899 -11.339 165 HG22 ILE 19 2HG2 ILE 19 4.671 -8.598 -11.605 166 HG23 ILE 19 3HG2 ILE 19 5.190 -10.067 -10.775 167 HD11 ILE 19 3HD1 ILE 19 4.152 -8.061 -6.948 168 HD12 ILE 19 1HD1 ILE 19 2.506 -7.751 -7.499 169 HD13 ILE 19 2HD1 ILE 19 3.783 -6.582 -7.846 170 H GLY 20 H GLY 20 8.325 -7.311 -9.025 171 HA2 GLY 20 2HA GLY 20 10.658 -8.016 -9.185 172 HA3 GLY 20 1HA GLY 20 10.117 -9.436 -10.071 173 HA PRO 21 HA PRO 21 11.489 -6.290 -13.238 174 HB2 PRO 21 2HB PRO 21 12.950 -8.015 -14.783 175 HB3 PRO 21 1HB PRO 21 13.607 -7.306 -13.292 176 HG2 PRO 21 2HG PRO 21 12.368 -10.020 -13.685 177 HG3 PRO 21 1HG PRO 21 13.887 -9.587 -12.864 178 HD2 PRO 21 2HD PRO 21 11.603 -10.031 -11.471 179 HD3 PRO 21 1HD PRO 21 12.801 -8.823 -10.946 180 H SER 22 H SER 22 9.550 -9.089 -13.233 181 HA SER 22 HA SER 22 8.527 -8.543 -15.965 182 HB2 SER 22 2HB SER 22 9.718 -10.741 -15.779 183 HB3 SER 22 1HB SER 22 8.591 -11.229 -14.514 184 HG SER 22 HG SER 22 8.222 -11.808 -16.884 185 H ALA 23 H ALA 23 7.023 -7.025 -15.101 186 HA ALA 23 HA ALA 23 4.856 -8.119 -13.401 187 HB1 ALA 23 3HB ALA 23 5.894 -6.041 -12.589 188 HB2 ALA 23 1HB ALA 23 4.202 -5.775 -13.022 189 HB3 ALA 23 2HB ALA 23 5.490 -5.233 -14.103 190 H LYS 24 H LYS 24 2.635 -7.365 -13.973 191 HA LYS 24 HA LYS 24 2.195 -6.963 -16.874 192 HB2 LYS 24 2HB LYS 24 0.612 -8.784 -14.997 193 HB3 LYS 24 1HB LYS 24 0.049 -8.314 -16.595 194 HG2 LYS 24 2HG LYS 24 2.583 -9.866 -16.029 195 HG3 LYS 24 1HG LYS 24 1.055 -10.561 -16.584 196 HD2 LYS 24 2HD LYS 24 1.201 -9.326 -18.688 197 HD3 LYS 24 1HD LYS 24 2.636 -8.463 -18.121 198 HE2 LYS 24 2HE LYS 24 3.246 -10.261 -19.661 199 HE3 LYS 24 1HE LYS 24 3.890 -10.554 -18.049 200 HZ1 LYS 24 3HZ LYS 24 2.988 -12.561 -19.006 201 HZ2 LYS 24 1HZ LYS 24 1.479 -11.830 -19.211 202 HZ3 LYS 24 2HZ LYS 24 2.072 -12.105 -17.657 203 H GLU 25 H GLU 25 1.604 -4.916 -16.977 204 HA GLU 25 HA GLU 25 0.650 -3.308 -14.868 205 HB2 GLU 25 2HB GLU 25 0.520 -2.832 -17.884 206 HB3 GLU 25 1HB GLU 25 0.183 -1.604 -16.670 207 HG2 GLU 25 2HG GLU 25 2.395 -1.219 -17.459 208 HG3 GLU 25 1HG GLU 25 2.528 -1.877 -15.834 209 H ASP 26 H ASP 26 -0.948 -5.243 -17.203 210 HA ASP 26 HA ASP 26 -3.507 -4.378 -17.524 211 HB2 ASP 26 2HB ASP 26 -2.790 -7.294 -16.978 212 HB3 ASP 26 1HB ASP 26 -4.141 -6.700 -17.936 213 H GLU 27 H GLU 27 -2.296 -6.339 -14.823 214 HA GLU 27 HA GLU 27 -4.899 -6.619 -13.587 215 HB2 GLU 27 2HB GLU 27 -3.764 -8.040 -11.955 216 HB3 GLU 27 1HB GLU 27 -3.274 -8.482 -13.586 217 HG2 GLU 27 2HG GLU 27 -1.186 -7.155 -13.271 218 HG3 GLU 27 1HG GLU 27 -1.662 -6.859 -11.602 219 H LEU 28 H LEU 28 -2.380 -4.314 -13.404 220 HA LEU 28 HA LEU 28 -2.791 -3.559 -10.652 221 HB2 LEU 28 2HB LEU 28 -0.567 -3.354 -11.697 222 HB3 LEU 28 1HB LEU 28 -1.212 -2.188 -12.844 223 HG LEU 28 HG LEU 28 -1.777 -0.684 -10.904 224 HD11 LEU 28 1HD1 LEU 28 -0.213 -2.694 -9.274 225 HD12 LEU 28 2HD1 LEU 28 -1.919 -2.277 -9.090 226 HD13 LEU 28 3HD1 LEU 28 -0.678 -1.083 -8.721 227 HD21 LEU 28 3HD2 LEU 28 1.126 -1.392 -11.254 228 HD22 LEU 28 1HD2 LEU 28 0.530 0.086 -10.496 229 HD23 LEU 28 2HD2 LEU 28 0.195 -0.231 -12.197 230 H ASP 29 H ASP 29 -4.066 -2.005 -9.903 231 HA ASP 29 HA ASP 29 -4.641 0.443 -11.249 232 HB2 ASP 29 2HB ASP 29 -6.467 -1.144 -12.173 233 HB3 ASP 29 1HB ASP 29 -7.075 -1.250 -10.524 234 H ASP 30 H ASP 30 -6.105 1.821 -9.684 235 HA ASP 30 HA ASP 30 -4.989 1.515 -7.036 236 HB2 ASP 30 2HB ASP 30 -5.840 3.725 -6.579 237 HB3 ASP 30 1HB ASP 30 -5.104 3.733 -8.173 238 H GLN 31 H GLN 31 -8.149 1.320 -8.539 239 HA GLN 31 HA GLN 31 -9.631 0.882 -6.101 240 HB2 GLN 31 2HB GLN 31 -10.468 0.406 -8.995 241 HB3 GLN 31 1HB GLN 31 -11.546 0.541 -7.606 242 HG2 GLN 31 2HG GLN 31 -10.859 2.895 -7.313 243 HG3 GLN 31 1HG GLN 31 -9.794 2.755 -8.711 244 HE21 GLN 31 1HE2 GLN 31 -12.062 4.537 -8.241 245 HE22 GLN 31 2HE2 GLN 31 -13.149 4.286 -9.561 246 H THR 32 H THR 32 -7.759 -1.070 -8.213 247 HA THR 32 HA THR 32 -9.064 -3.554 -8.007 248 HB THR 32 HB THR 32 -6.189 -2.831 -8.589 249 HG1 THR 32 HG1 THR 32 -6.913 -3.778 -10.659 250 HG21 THR 32 3HG2 THR 32 -6.031 -5.014 -7.540 251 HG22 THR 32 1HG2 THR 32 -5.869 -5.226 -9.285 252 HG23 THR 32 2HG2 THR 32 -7.397 -5.616 -8.483 253 HA PRO 33 HA PRO 33 -7.980 -4.386 -3.660 254 HB2 PRO 33 2HB PRO 33 -9.343 -6.767 -3.479 255 HB3 PRO 33 1HB PRO 33 -10.147 -5.185 -3.379 256 HG2 PRO 33 2HG PRO 33 -9.977 -7.066 -5.698 257 HG3 PRO 33 1HG PRO 33 -11.342 -6.073 -5.156 258 HD2 PRO 33 2HD PRO 33 -9.711 -5.382 -7.247 259 HD3 PRO 33 1HD PRO 33 -10.587 -4.195 -6.260 260 H LEU 34 H LEU 34 -5.878 -4.866 -3.587 261 HA LEU 34 HA LEU 34 -4.477 -6.604 -5.301 262 HB2 LEU 34 2HB LEU 34 -3.520 -5.524 -2.634 263 HB3 LEU 34 1HB LEU 34 -2.528 -6.016 -3.998 264 HG LEU 34 HG LEU 34 -4.356 -3.580 -3.921 265 HD11 LEU 34 1HD1 LEU 34 -1.337 -3.756 -3.833 266 HD12 LEU 34 2HD1 LEU 34 -2.416 -3.271 -2.516 267 HD13 LEU 34 3HD1 LEU 34 -2.290 -2.270 -3.959 268 HD21 LEU 34 3HD2 LEU 34 -4.243 -4.454 -6.208 269 HD22 LEU 34 1HD2 LEU 34 -2.478 -4.467 -6.140 270 HD23 LEU 34 2HD2 LEU 34 -3.360 -2.936 -6.078 271 H LEU 35 H LEU 35 -5.429 -6.947 -1.860 272 HA LEU 35 HA LEU 35 -4.331 -9.507 -1.374 273 HB2 LEU 35 2HB LEU 35 -6.617 -7.974 -0.120 274 HB3 LEU 35 1HB LEU 35 -6.365 -9.647 0.340 275 HG LEU 35 HG LEU 35 -5.370 -8.111 1.966 276 HD11 LEU 35 1HD1 LEU 35 -4.319 -10.298 1.713 277 HD12 LEU 35 2HD1 LEU 35 -3.137 -9.072 2.152 278 HD13 LEU 35 3HD1 LEU 35 -3.224 -9.654 0.486 279 HD21 LEU 35 3HD2 LEU 35 -4.874 -6.231 0.504 280 HD22 LEU 35 1HD2 LEU 35 -3.568 -7.144 -0.257 281 HD23 LEU 35 2HD2 LEU 35 -3.463 -6.697 1.448 282 H GLU 36 H GLU 36 -7.413 -8.500 -2.757 283 HA GLU 36 HA GLU 36 -8.651 -11.059 -2.845 284 HB2 GLU 36 2HB GLU 36 -9.742 -8.720 -3.043 285 HB3 GLU 36 1HB GLU 36 -9.229 -8.746 -4.723 286 HG2 GLU 36 2HG GLU 36 -11.491 -9.414 -4.731 287 HG3 GLU 36 1HG GLU 36 -10.568 -10.896 -4.978 288 H TRP 37 H TRP 37 -6.542 -9.260 -5.042 289 HA TRP 37 HA TRP 37 -6.959 -11.177 -7.251 290 HB2 TRP 37 2HB TRP 37 -5.437 -8.561 -7.017 291 HB3 TRP 37 1HB TRP 37 -5.272 -9.603 -8.428 292 HD1 TRP 37 HD1 TRP 37 -8.605 -8.658 -6.607 293 HE1 TRP 37 HE1 TRP 37 -10.135 -7.504 -8.308 294 HE3 TRP 37 HE3 TRP 37 -5.433 -8.551 -10.626 295 HZ2 TRP 37 HZ2 TRP 37 -10.038 -6.658 -10.988 296 HZ3 TRP 37 HZ3 TRP 37 -6.242 -7.546 -12.723 297 HH2 TRP 37 HH2 TRP 37 -8.491 -6.620 -12.900 298 H GLY 38 H GLY 38 -5.239 -11.393 -4.535 299 HA2 GLY 38 2HA GLY 38 -3.563 -12.785 -3.868 300 HA3 GLY 38 1HA GLY 38 -3.541 -13.465 -5.488 301 H ILE 39 H ILE 39 -3.073 -10.072 -5.229 302 HA ILE 39 HA ILE 39 -0.384 -10.140 -6.240 303 HB ILE 39 HB ILE 39 -2.151 -7.828 -5.279 304 HG12 ILE 39 2HG1 ILE 39 -1.502 -8.755 -8.120 305 HG13 ILE 39 1HG1 ILE 39 -3.040 -8.989 -7.300 306 HG21 ILE 39 1HG2 ILE 39 -0.583 -6.293 -6.394 307 HG22 ILE 39 2HG2 ILE 39 0.479 -7.648 -6.782 308 HG23 ILE 39 3HG2 ILE 39 0.213 -7.190 -5.100 309 HD11 ILE 39 3HD1 ILE 39 -3.184 -7.187 -8.901 310 HD12 ILE 39 1HD1 ILE 39 -1.842 -6.343 -8.129 311 HD13 ILE 39 2HD1 ILE 39 -3.370 -6.544 -7.269 312 H LEU 40 H LEU 40 -2.008 -9.532 -3.180 313 HA LEU 40 HA LEU 40 0.559 -9.679 -1.711 314 HB2 LEU 40 2HB LEU 40 -1.951 -8.271 -0.711 315 HB3 LEU 40 1HB LEU 40 -0.328 -8.196 -0.034 316 HG LEU 40 HG LEU 40 -1.181 -6.965 -2.686 317 HD11 LEU 40 1HD1 LEU 40 -2.231 -5.803 -0.864 318 HD12 LEU 40 2HD1 LEU 40 -0.947 -4.803 -1.538 319 HD13 LEU 40 3HD1 LEU 40 -0.690 -5.646 -0.006 320 HD21 LEU 40 3HD2 LEU 40 1.453 -6.738 -1.206 321 HD22 LEU 40 1HD2 LEU 40 0.996 -5.836 -2.657 322 HD23 LEU 40 2HD2 LEU 40 1.164 -7.589 -2.730 323 H ASN 41 H ASN 41 0.514 -10.987 0.123 324 HA ASN 41 HA ASN 41 -2.052 -11.926 1.195 325 HB2 ASN 41 2HB ASN 41 -1.165 -13.878 -0.081 326 HB3 ASN 41 1HB ASN 41 0.372 -13.747 0.767 327 HD21 ASN 41 1HD2 ASN 41 -2.952 -14.744 1.007 328 HD22 ASN 41 2HD2 ASN 41 -2.822 -15.562 2.522 329 H SER 42 H SER 42 1.366 -12.507 1.901 330 HA SER 42 HA SER 42 1.483 -10.363 3.874 331 HB2 SER 42 3HB SER 42 0.880 -12.513 5.137 332 HB3 SER 42 2HB SER 42 2.438 -13.167 4.620 333 H MET 43 H MET 43 4.191 -11.231 4.718 334 HA MET 43 HA MET 43 6.361 -11.281 4.123 335 HB2 MET 43 2HB MET 43 5.398 -12.354 1.443 336 HB3 MET 43 1HB MET 43 7.014 -12.512 2.100 337 HG2 MET 43 2HG MET 43 6.439 -14.269 3.453 338 HG3 MET 43 1HG MET 43 4.804 -13.669 3.739 339 HE1 MET 43 3HE MET 43 2.752 -14.089 2.145 340 HE2 MET 43 1HE MET 43 2.875 -14.835 0.549 341 HE3 MET 43 2HE MET 43 3.579 -13.243 0.836 342 H ASN 44 H ASN 44 5.080 -10.553 0.857 343 HA ASN 44 HA ASN 44 6.707 -8.265 0.432 344 HB2 ASN 44 2HB ASN 44 5.538 -8.017 -1.655 345 HB3 ASN 44 1HB ASN 44 5.761 -9.735 -1.382 346 HD21 ASN 44 1HD2 ASN 44 3.928 -8.643 -3.210 347 HD22 ASN 44 2HD2 ASN 44 2.335 -9.052 -2.687 348 H ILE 45 H ILE 45 3.616 -8.738 1.921 349 HA ILE 45 HA ILE 45 2.500 -6.209 2.098 350 HB ILE 45 HB ILE 45 2.524 -8.674 3.792 351 HG12 ILE 45 2HG1 ILE 45 0.974 -8.471 1.867 352 HG13 ILE 45 1HG1 ILE 45 0.134 -8.729 3.390 353 HG21 ILE 45 1HG2 ILE 45 1.310 -6.130 4.870 354 HG22 ILE 45 2HG2 ILE 45 2.654 -7.045 5.565 355 HG23 ILE 45 3HG2 ILE 45 1.035 -7.752 5.518 356 HD11 ILE 45 3HD1 ILE 45 -1.042 -7.141 2.055 357 HD12 ILE 45 1HD1 ILE 45 0.389 -6.125 1.905 358 HD13 ILE 45 2HD1 ILE 45 -0.391 -6.322 3.480 359 H VAL 46 H VAL 46 5.239 -7.547 3.852 360 HA VAL 46 HA VAL 46 5.347 -5.521 5.878 361 HB VAL 46 HB VAL 46 7.503 -7.501 5.049 362 HG11 VAL 46 1HG1 VAL 46 7.087 -6.048 7.685 363 HG12 VAL 46 2HG1 VAL 46 8.354 -5.700 6.506 364 HG13 VAL 46 3HG1 VAL 46 8.343 -7.246 7.357 365 HG21 VAL 46 3HG2 VAL 46 5.302 -7.863 7.118 366 HG22 VAL 46 1HG2 VAL 46 6.627 -8.993 6.821 367 HG23 VAL 46 2HG2 VAL 46 5.416 -8.702 5.571 368 H LYS 47 H LYS 47 6.527 -5.755 2.628 369 HA LYS 47 HA LYS 47 8.590 -3.759 2.822 370 HB2 LYS 47 2HB LYS 47 7.243 -5.077 0.452 371 HB3 LYS 47 1HB LYS 47 8.411 -3.778 0.250 372 HG2 LYS 47 2HG LYS 47 9.555 -5.847 -0.080 373 HG3 LYS 47 1HG LYS 47 10.101 -5.182 1.462 374 HD2 LYS 47 2HD LYS 47 8.671 -6.735 2.685 375 HD3 LYS 47 1HD LYS 47 7.956 -7.307 1.180 376 HE2 LYS 47 2HE LYS 47 9.597 -8.916 1.994 377 HE3 LYS 47 1HE LYS 47 10.163 -8.192 0.486 378 HZ1 LYS 47 3HZ LYS 47 11.956 -8.266 2.018 379 HZ2 LYS 47 1HZ LYS 47 11.044 -7.528 3.235 380 HZ3 LYS 47 2HZ LYS 47 11.490 -6.650 1.862 381 H LEU 48 H LEU 48 5.129 -3.717 2.328 382 HA LEU 48 HA LEU 48 4.812 -1.078 1.358 383 HB2 LEU 48 2HB LEU 48 3.016 -2.780 3.123 384 HB3 LEU 48 1HB LEU 48 2.569 -1.148 2.660 385 HG LEU 48 HG LEU 48 1.408 -2.673 1.214 386 HD11 LEU 48 1HD1 LEU 48 3.697 -1.428 -0.332 387 HD12 LEU 48 2HD1 LEU 48 2.219 -0.611 0.184 388 HD13 LEU 48 3HD1 LEU 48 2.132 -1.924 -0.985 389 HD21 LEU 48 3HD2 LEU 48 2.502 -4.288 -0.259 390 HD22 LEU 48 1HD2 LEU 48 2.825 -4.650 1.432 391 HD23 LEU 48 2HD2 LEU 48 4.074 -3.891 0.446 392 H MET 49 H MET 49 5.263 -2.391 4.597 393 HA MET 49 HA MET 49 4.696 -0.132 6.163 394 HB2 MET 49 2HB MET 49 6.767 -2.276 6.786 395 HB3 MET 49 1HB MET 49 5.979 -1.223 7.952 396 HG2 MET 49 2HG MET 49 3.859 -2.346 7.594 397 HG3 MET 49 1HG MET 49 4.566 -3.333 6.307 398 HE1 MET 49 3HE MET 49 3.053 -4.869 8.522 399 HE2 MET 49 1HE MET 49 4.210 -6.107 9.006 400 HE3 MET 49 2HE MET 49 4.020 -5.695 7.301 401 H VAL 50 H VAL 50 7.849 -1.360 4.981 402 HA VAL 50 HA VAL 50 9.407 0.792 5.995 403 HB VAL 50 HB VAL 50 10.354 -1.460 5.457 404 HG11 VAL 50 1HG1 VAL 50 9.248 -1.920 3.319 405 HG12 VAL 50 2HG1 VAL 50 10.999 -2.040 3.145 406 HG13 VAL 50 3HG1 VAL 50 10.149 -0.612 2.549 407 HG21 VAL 50 3HG2 VAL 50 11.777 0.825 4.047 408 HG22 VAL 50 1HG2 VAL 50 12.525 -0.693 4.552 409 HG23 VAL 50 2HG2 VAL 50 11.899 0.429 5.761 410 H TYR 51 H TYR 51 7.673 0.393 2.933 411 HA TYR 51 HA TYR 51 9.043 2.438 1.471 412 HB2 TYR 51 2HB TYR 51 7.483 0.644 0.465 413 HB3 TYR 51 1HB TYR 51 6.144 1.624 1.021 414 HD1 TYR 51 HD1 TYR 51 8.975 1.505 -1.366 415 HD2 TYR 51 HD2 TYR 51 5.584 3.757 -0.089 416 HE1 TYR 51 HE1 TYR 51 9.109 2.855 -3.406 417 HE2 TYR 51 HE2 TYR 51 5.701 5.115 -2.127 418 HH TYR 51 HH TYR 51 7.378 4.284 -4.810 419 H ILE 52 H ILE 52 5.997 2.356 3.229 420 HA ILE 52 HA ILE 52 5.252 5.089 2.881 421 HB ILE 52 HB ILE 52 4.324 2.944 4.846 422 HG12 ILE 52 2HG1 ILE 52 2.890 3.871 2.322 423 HG13 ILE 52 1HG1 ILE 52 4.066 2.565 2.284 424 HG21 ILE 52 1HG2 ILE 52 2.283 4.283 5.174 425 HG22 ILE 52 2HG2 ILE 52 2.965 5.568 4.175 426 HG23 ILE 52 3HG2 ILE 52 3.722 5.153 5.710 427 HD11 ILE 52 3HD1 ILE 52 2.699 1.239 3.751 428 HD12 ILE 52 1HD1 ILE 52 1.771 1.771 2.350 429 HD13 ILE 52 2HD1 ILE 52 1.529 2.557 3.913 430 H ARG 53 H ARG 53 7.020 3.295 5.293 431 HA ARG 53 HA ARG 53 7.304 5.322 7.281 432 HB2 ARG 53 2HB ARG 53 7.558 2.848 7.632 433 HB3 ARG 53 1HB ARG 53 9.065 2.909 6.726 434 HG2 ARG 53 2HG ARG 53 10.024 4.414 8.456 435 HG3 ARG 53 1HG ARG 53 8.511 4.306 9.363 436 HD2 ARG 53 2HD ARG 53 8.858 1.780 9.407 437 HD3 ARG 53 1HD ARG 53 10.481 2.080 8.774 438 HE ARG 53 HE ARG 53 10.552 3.636 10.893 439 HH11 ARG 53 1HH1 ARG 53 9.272 0.371 10.669 440 HH12 ARG 53 2HH1 ARG 53 9.600 -0.002 12.328 441 HH21 ARG 53 1HH2 ARG 53 10.909 3.191 13.062 442 HH22 ARG 53 2HH2 ARG 53 10.539 1.620 13.705 443 H ASP 54 H ASP 54 8.975 4.554 4.319 444 HA ASP 54 HA ASP 54 11.314 6.209 4.819 445 HB2 ASP 54 2HB ASP 54 11.383 4.154 3.360 446 HB3 ASP 54 1HB ASP 54 10.318 4.956 2.214 447 H GLU 55 H GLU 55 8.466 6.334 2.721 448 HA GLU 55 HA GLU 55 8.972 8.937 1.674 449 HB2 GLU 55 2HB GLU 55 6.662 6.998 1.538 450 HB3 GLU 55 1HB GLU 55 6.484 8.621 0.884 451 HG2 GLU 55 2HG GLU 55 8.553 6.581 0.019 452 HG3 GLU 55 1HG GLU 55 7.081 7.003 -0.858 453 H MET 56 H MET 56 6.112 7.883 3.509 454 HA MET 56 HA MET 56 5.577 10.649 4.303 455 HB2 MET 56 2HB MET 56 3.990 8.059 4.411 456 HB3 MET 56 1HB MET 56 3.396 9.543 5.145 457 HG2 MET 56 2HG MET 56 3.129 10.613 3.070 458 HG3 MET 56 1HG MET 56 4.200 9.490 2.236 459 HE1 MET 56 3HE MET 56 3.334 6.628 2.837 460 HE2 MET 56 1HE MET 56 3.516 7.263 1.199 461 HE3 MET 56 2HE MET 56 2.064 6.362 1.642 462 H GLY 57 H GLY 57 7.519 8.356 5.556 463 HA2 GLY 57 2HA GLY 57 8.667 8.292 7.529 464 HA3 GLY 57 1HA GLY 57 7.835 9.762 8.006 465 H VAL 58 H VAL 58 5.720 7.183 7.217 466 HA VAL 58 HA VAL 58 5.194 6.720 10.100 467 HB VAL 58 HB VAL 58 3.514 8.267 9.239 468 HG11 VAL 58 1HG1 VAL 58 2.844 6.222 7.099 469 HG12 VAL 58 2HG1 VAL 58 3.625 7.781 6.831 470 HG13 VAL 58 3HG1 VAL 58 1.957 7.719 7.406 471 HG21 VAL 58 3HG2 VAL 58 1.442 7.043 9.746 472 HG22 VAL 58 1HG2 VAL 58 2.729 6.597 10.869 473 HG23 VAL 58 2HG2 VAL 58 2.287 5.507 9.552 474 H SER 59 H SER 59 5.207 4.637 10.682 475 HA SER 59 HA SER 59 4.942 2.516 8.644 476 HB2 SER 59 2HB SER 59 6.975 2.495 10.134 477 HB3 SER 59 1HB SER 59 5.917 2.297 11.530 478 HG SER 59 HG SER 59 5.356 0.292 10.820 479 H ILE 60 H ILE 60 3.043 1.432 8.553 480 HA ILE 60 HA ILE 60 0.839 1.952 10.270 481 HB ILE 60 HB ILE 60 1.213 -0.370 8.321 482 HG12 ILE 60 2HG1 ILE 60 -0.029 2.384 7.953 483 HG13 ILE 60 1HG1 ILE 60 1.320 1.695 7.063 484 HG21 ILE 60 1HG2 ILE 60 -1.347 0.663 9.602 485 HG22 ILE 60 2HG2 ILE 60 -0.530 -0.849 10.003 486 HG23 ILE 60 3HG2 ILE 60 -1.237 -0.632 8.405 487 HD11 ILE 60 3HD1 ILE 60 -1.542 0.744 6.926 488 HD12 ILE 60 1HD1 ILE 60 -0.179 0.119 5.985 489 HD13 ILE 60 2HD1 ILE 60 -0.730 1.778 5.743 490 HA PRO 61 HA PRO 61 2.112 -0.936 13.570 491 HB2 PRO 61 2HB PRO 61 -0.197 -0.773 15.082 492 HB3 PRO 61 1HB PRO 61 1.038 0.502 15.072 493 HG2 PRO 61 2HG PRO 61 -1.538 0.387 13.536 494 HG3 PRO 61 1HG PRO 61 -0.831 1.745 14.445 495 HD2 PRO 61 2HD PRO 61 -0.627 1.566 11.753 496 HD3 PRO 61 1HD PRO 61 0.671 2.271 12.742 497 H SER 62 H SER 62 1.500 -3.081 14.261 498 HA SER 62 HA SER 62 0.642 -4.707 12.135 499 HB2 SER 62 2HB SER 62 0.912 -6.579 13.803 500 HB3 SER 62 1HB SER 62 2.301 -5.492 13.699 501 HG SER 62 HG SER 62 0.233 -5.363 15.658 502 H THR 63 H THR 63 -1.145 -3.353 14.782 503 HA THR 63 HA THR 63 -3.445 -4.958 14.786 504 HB THR 63 HB THR 63 -2.980 -3.302 16.522 505 HG1 THR 63 HG1 THR 63 -5.070 -2.351 16.639 506 HG21 THR 63 3HG2 THR 63 -3.297 -0.890 16.158 507 HG22 THR 63 1HG2 THR 63 -3.558 -1.170 14.436 508 HG23 THR 63 2HG2 THR 63 -1.983 -1.510 15.159 509 H HIS 64 H HIS 64 -2.384 -2.486 12.535 510 HA HIS 64 HA HIS 64 -4.898 -2.639 10.984 511 HB2 HIS 64 2HB HIS 64 -2.654 -0.602 10.872 512 HB3 HIS 64 1HB HIS 64 -4.061 -0.604 9.815 513 HD1 HIS 64 HD1 HIS 64 -6.143 -1.212 12.185 514 HD2 HIS 64 HD2 HIS 64 -3.275 1.802 12.111 515 HE1 HIS 64 HE1 HIS 64 -6.991 0.567 13.738 516 HE2 HIS 64 HE2 HIS 64 -5.220 2.357 13.719 517 H ILE 65 H ILE 65 -2.042 -4.290 11.045 518 HA ILE 65 HA ILE 65 -1.671 -4.397 8.136 519 HB ILE 65 HB ILE 65 -0.353 -6.103 10.298 520 HG12 ILE 65 2HG1 ILE 65 0.304 -3.760 10.567 521 HG13 ILE 65 1HG1 ILE 65 1.659 -4.682 9.930 522 HG21 ILE 65 1HG2 ILE 65 1.292 -6.707 8.534 523 HG22 ILE 65 2HG2 ILE 65 0.336 -5.819 7.345 524 HG23 ILE 65 3HG2 ILE 65 -0.338 -7.248 8.132 525 HD11 ILE 65 3HD1 ILE 65 1.197 -3.797 7.702 526 HD12 ILE 65 1HD1 ILE 65 1.486 -2.524 8.893 527 HD13 ILE 65 2HD1 ILE 65 -0.162 -2.879 8.365 528 H THR 66 H THR 66 -3.753 -5.076 7.572 529 HA THR 66 HA THR 66 -3.906 -7.924 7.325 530 HB THR 66 HB THR 66 -5.022 -7.714 9.491 531 HG1 THR 66 HG1 THR 66 -6.447 -9.148 8.884 532 HG21 THR 66 3HG2 THR 66 -6.980 -5.836 8.132 533 HG22 THR 66 1HG2 THR 66 -5.751 -5.367 9.317 534 HG23 THR 66 2HG2 THR 66 -7.086 -6.428 9.791 535 H GLY 67 H GLY 67 -6.146 -8.422 6.098 536 HA2 GLY 67 2HA GLY 67 -5.672 -7.337 3.535 537 HA3 GLY 67 1HA GLY 67 -6.951 -8.446 3.973 538 H LYS 68 H LYS 68 -8.059 -6.402 5.951 539 HA LYS 68 HA LYS 68 -9.878 -5.173 4.082 540 HB2 LYS 68 2HB LYS 68 -11.100 -4.359 6.015 541 HB3 LYS 68 1HB LYS 68 -10.634 -6.027 6.296 542 HG2 LYS 68 2HG LYS 68 -8.781 -5.251 7.760 543 HG3 LYS 68 1HG LYS 68 -9.280 -3.586 7.484 544 HD2 LYS 68 2HD LYS 68 -10.251 -4.050 9.562 545 HD3 LYS 68 1HD LYS 68 -11.591 -4.356 8.460 546 HE2 LYS 68 2HE LYS 68 -9.777 -6.510 9.613 547 HE3 LYS 68 1HE LYS 68 -11.349 -6.070 10.275 548 HZ1 LYS 68 3HZ LYS 68 -12.374 -6.761 8.210 549 HZ2 LYS 68 1HZ LYS 68 -11.476 -8.029 8.882 550 HZ3 LYS 68 2HZ LYS 68 -10.863 -7.169 7.562 551 H TYR 69 H TYR 69 -7.158 -4.053 6.023 552 HA TYR 69 HA TYR 69 -7.522 -1.243 5.375 553 HB2 TYR 69 2HB TYR 69 -5.268 -2.760 6.748 554 HB3 TYR 69 1HB TYR 69 -5.245 -1.019 6.485 555 HD1 TYR 69 HD1 TYR 69 -7.023 0.413 7.589 556 HD2 TYR 69 HD2 TYR 69 -6.494 -3.682 8.639 557 HE1 TYR 69 HE1 TYR 69 -8.246 0.796 9.670 558 HE2 TYR 69 HE2 TYR 69 -7.725 -3.303 10.734 559 HH TYR 69 HH TYR 69 -9.493 -0.402 11.307 560 H PHE 70 H PHE 70 -5.503 -3.939 4.371 561 HA PHE 70 HA PHE 70 -3.947 -2.311 2.518 562 HB2 PHE 70 2HB PHE 70 -3.697 -5.132 3.569 563 HB3 PHE 70 1HB PHE 70 -2.816 -4.657 2.118 564 HD1 PHE 70 HD2 PHE 70 -3.415 -3.430 5.629 565 HD2 PHE 70 HD1 PHE 70 -0.665 -3.771 2.373 566 HE1 PHE 70 HE2 PHE 70 -1.661 -2.382 6.986 567 HE2 PHE 70 HE1 PHE 70 1.074 -2.723 3.745 568 HZ PHE 70 HZ PHE 70 0.584 -2.026 6.042 569 H LYS 71 H LYS 71 -6.883 -3.232 2.253 570 HA LYS 71 HA LYS 71 -7.434 -5.114 0.407 571 HB2 LYS 71 2HB LYS 71 -8.852 -3.172 1.752 572 HB3 LYS 71 1HB LYS 71 -8.967 -2.554 0.115 573 HG2 LYS 71 2HG LYS 71 -9.777 -5.025 -0.412 574 HG3 LYS 71 1HG LYS 71 -10.118 -5.046 1.318 575 HD2 LYS 71 2HD LYS 71 -11.319 -3.263 -0.815 576 HD3 LYS 71 1HD LYS 71 -12.149 -4.365 0.279 577 HE2 LYS 71 2HE LYS 71 -10.837 -1.730 1.026 578 HE3 LYS 71 1HE LYS 71 -12.567 -2.049 0.936 579 HZ1 LYS 71 3HZ LYS 71 -12.338 -3.622 2.756 580 HZ2 LYS 71 1HZ LYS 71 -11.769 -2.095 3.206 581 HZ3 LYS 71 2HZ LYS 71 -10.673 -3.324 2.829 582 H ASP 72 H ASP 72 -6.776 -1.693 -0.260 583 HA ASP 72 HA ASP 72 -5.683 -2.091 -2.870 584 HB2 ASP 72 2HB ASP 72 -7.433 -0.975 -4.180 585 HB3 ASP 72 1HB ASP 72 -8.091 -2.414 -3.408 586 H LEU 73 H LEU 73 -5.968 0.407 -3.933 587 HA LEU 73 HA LEU 73 -4.077 1.825 -2.358 588 HB2 LEU 73 2HB LEU 73 -4.210 1.810 -4.857 589 HB3 LEU 73 1HB LEU 73 -5.626 2.830 -4.766 590 HG LEU 73 HG LEU 73 -3.031 3.811 -3.544 591 HD11 LEU 73 1HD1 LEU 73 -2.355 4.770 -5.688 592 HD12 LEU 73 2HD1 LEU 73 -3.710 3.988 -6.495 593 HD13 LEU 73 3HD1 LEU 73 -2.416 3.008 -5.791 594 HD21 LEU 73 3HD2 LEU 73 -5.338 5.259 -4.902 595 HD22 LEU 73 1HD2 LEU 73 -3.900 6.030 -4.223 596 HD23 LEU 73 2HD2 LEU 73 -5.030 5.189 -3.167 597 H ASN 74 H ASN 74 -7.514 2.193 -2.917 598 HA ASN 74 HA ASN 74 -7.730 4.783 -1.627 599 HB2 ASN 74 2HB ASN 74 -9.942 2.824 -2.396 600 HB3 ASN 74 1HB ASN 74 -10.159 4.523 -1.984 601 HD21 ASN 74 1HD2 ASN 74 -9.059 2.276 -4.394 602 HD22 ASN 74 2HD2 ASN 74 -8.905 3.411 -5.691 603 H ALA 75 H ALA 75 -8.133 1.411 -0.646 604 HA ALA 75 HA ALA 75 -9.273 1.913 1.924 605 HB1 ALA 75 3HB ALA 75 -9.396 -0.277 0.847 606 HB2 ALA 75 1HB ALA 75 -8.644 -0.397 2.439 607 HB3 ALA 75 2HB ALA 75 -7.646 -0.456 0.980 608 H ILE 76 H ILE 76 -5.911 1.180 0.922 609 HA ILE 76 HA ILE 76 -4.671 1.752 3.392 610 HB ILE 76 HB ILE 76 -3.551 1.740 0.560 611 HG12 ILE 76 2HG1 ILE 76 -3.337 -0.178 2.906 612 HG13 ILE 76 1HG1 ILE 76 -4.117 -0.472 1.359 613 HG21 ILE 76 1HG2 ILE 76 -2.194 3.348 1.855 614 HG22 ILE 76 2HG2 ILE 76 -1.264 1.900 1.473 615 HG23 ILE 76 3HG2 ILE 76 -1.919 2.124 3.096 616 HD11 ILE 76 3HD1 ILE 76 -2.083 -1.684 1.451 617 HD12 ILE 76 1HD1 ILE 76 -1.164 -0.243 1.893 618 HD13 ILE 76 2HD1 ILE 76 -1.890 -0.374 0.285 619 H SER 77 H SER 77 -5.676 3.803 0.714 620 HA SER 77 HA SER 77 -4.276 6.156 1.295 621 HB2 SER 77 2HB SER 77 -5.575 5.992 -0.759 622 HB3 SER 77 1HB SER 77 -7.080 5.800 0.141 623 HG SER 77 HG SER 77 -6.774 7.968 0.893 624 H ARG 78 H ARG 78 -7.555 5.251 2.376 625 HA ARG 78 HA ARG 78 -7.893 7.511 4.065 626 HB2 ARG 78 2HB ARG 78 -9.302 4.819 3.964 627 HB3 ARG 78 1HB ARG 78 -9.818 6.134 5.020 628 HG2 ARG 78 2HG ARG 78 -9.772 6.153 1.987 629 HG3 ARG 78 1HG ARG 78 -11.194 6.143 3.035 630 HD2 ARG 78 2HD ARG 78 -10.611 8.378 3.880 631 HD3 ARG 78 1HD ARG 78 -9.144 8.387 2.890 632 HE ARG 78 HE ARG 78 -11.796 8.147 1.637 633 HH11 ARG 78 1HH1 ARG 78 -8.833 10.011 2.045 634 HH12 ARG 78 2HH1 ARG 78 -9.203 11.081 0.730 635 HH21 ARG 78 1HH2 ARG 78 -12.231 9.497 -0.083 636 HH22 ARG 78 2HH2 ARG 78 -11.142 10.789 -0.486 637 H THR 79 H THR 79 -6.493 4.341 4.624 638 HA THR 79 HA THR 79 -6.390 4.606 7.484 639 HB THR 79 HB THR 79 -4.960 2.614 5.688 640 HG1 THR 79 HG1 THR 79 -7.141 2.297 5.490 641 HG21 THR 79 3HG2 THR 79 -5.471 2.518 8.692 642 HG22 THR 79 1HG2 THR 79 -3.894 2.792 7.939 643 HG23 THR 79 2HG2 THR 79 -4.722 1.241 7.735 644 H VAL 80 H VAL 80 -4.176 5.337 4.852 645 HA VAL 80 HA VAL 80 -1.892 5.556 6.636 646 HB VAL 80 HB VAL 80 -1.666 4.717 4.240 647 HG11 VAL 80 1HG1 VAL 80 -3.069 6.339 3.045 648 HG12 VAL 80 2HG1 VAL 80 -1.430 6.312 2.392 649 HG13 VAL 80 3HG1 VAL 80 -1.934 7.632 3.449 650 HG21 VAL 80 3HG2 VAL 80 0.508 5.795 3.853 651 HG22 VAL 80 1HG2 VAL 80 0.278 5.375 5.551 652 HG23 VAL 80 2HG2 VAL 80 0.093 7.048 5.025 653 H GLU 81 H GLU 81 -4.148 7.651 4.906 654 HA GLU 81 HA GLU 81 -2.765 10.118 5.283 655 HB2 GLU 81 2HB GLU 81 -5.713 9.571 4.743 656 HB3 GLU 81 1HB GLU 81 -4.985 11.172 4.711 657 HG2 GLU 81 2HG GLU 81 -3.628 10.578 2.790 658 HG3 GLU 81 1HG GLU 81 -4.165 8.902 2.880 659 H GLN 82 H GLN 82 -5.239 8.363 7.130 660 HA GLN 82 HA GLN 82 -5.661 10.371 9.085 661 HB2 GLN 82 2HB GLN 82 -6.794 8.745 10.424 662 HB3 GLN 82 1HB GLN 82 -7.219 8.435 8.750 663 HG2 GLN 82 2HG GLN 82 -5.718 6.518 8.680 664 HG3 GLN 82 1HG GLN 82 -5.166 6.849 10.321 665 HE21 GLN 82 1HE2 GLN 82 -6.605 6.423 12.070 666 HE22 GLN 82 2HE2 GLN 82 -7.972 5.385 11.873 667 H LEU 83 H LEU 83 -3.181 7.806 8.756 668 HA LEU 83 HA LEU 83 -2.454 7.727 11.516 669 HB2 LEU 83 2HB LEU 83 -0.979 6.884 9.005 670 HB3 LEU 83 1HB LEU 83 -0.295 6.669 10.609 671 HG LEU 83 HG LEU 83 -2.896 5.396 9.676 672 HD11 LEU 83 1HD1 LEU 83 -0.144 4.150 9.977 673 HD12 LEU 83 2HD1 LEU 83 -0.976 4.471 8.454 674 HD13 LEU 83 3HD1 LEU 83 -1.637 3.292 9.582 675 HD21 LEU 83 3HD2 LEU 83 -1.275 4.980 12.210 676 HD22 LEU 83 1HD2 LEU 83 -2.684 4.031 11.726 677 HD23 LEU 83 2HD2 LEU 83 -2.863 5.744 12.092 678 H LYS 84 H LYS 84 -1.188 9.591 8.767 679 HA LYS 84 HA LYS 84 0.951 10.858 10.170 680 HB2 LYS 84 2HB LYS 84 -0.559 11.904 7.726 681 HB3 LYS 84 1HB LYS 84 1.013 12.457 8.284 682 HG2 LYS 84 2HG LYS 84 1.970 10.941 6.912 683 HG3 LYS 84 1HG LYS 84 1.335 9.673 7.955 684 HD2 LYS 84 2HD LYS 84 0.619 9.033 5.829 685 HD3 LYS 84 1HD LYS 84 -0.804 9.821 6.502 686 HE2 LYS 84 2HE LYS 84 1.154 11.021 4.527 687 HE3 LYS 84 1HE LYS 84 -0.467 10.435 4.165 688 HZ1 LYS 84 3HZ LYS 84 0.222 12.759 5.876 689 HZ2 LYS 84 1HZ LYS 84 -1.348 12.184 5.616 690 HZ3 LYS 84 2HZ LYS 84 -0.452 12.811 4.328 691 H ALA 85 H ALA 85 -2.460 11.614 9.779 692 HA ALA 85 HA ALA 85 -2.438 14.165 11.093 693 HB1 ALA 85 3HB ALA 85 -4.220 13.464 9.514 694 HB2 ALA 85 1HB ALA 85 -4.874 13.948 11.082 695 HB3 ALA 85 2HB ALA 85 -4.742 12.234 10.671 696 H GLU 86 H GLU 86 -2.827 10.818 12.159 697 HA GLU 86 HA GLU 86 -3.793 11.446 14.800 698 HB2 GLU 86 2HB GLU 86 -2.673 8.815 13.744 699 HB3 GLU 86 1HB GLU 86 -3.535 9.034 15.261 700 HG2 GLU 86 2HG GLU 86 -4.631 9.163 12.460 701 HG3 GLU 86 1HG GLU 86 -5.067 8.058 13.743 702 H SER 87 H SER 87 -0.706 10.708 13.311 703 HA SER 87 HA SER 87 0.801 10.487 15.743 704 HB2 SER 87 2HB SER 87 1.681 11.023 12.874 705 HB3 SER 87 1HB SER 87 2.768 10.632 14.211 706 HG SER 87 HG SER 87 0.606 8.960 13.490 707 H ALA 88 H ALA 88 -0.300 13.153 13.749 708 HA ALA 88 HA ALA 88 1.436 15.197 14.652 709 HB1 ALA 88 3HB ALA 88 -1.428 15.445 13.663 710 HB2 ALA 88 1HB ALA 88 0.017 15.418 12.650 711 HB3 ALA 88 2HB ALA 88 -0.248 16.757 13.769 712 H LEU 89 H LEU 89 0.349 17.223 15.824 713 HA LEU 89 HA LEU 89 -0.004 16.405 18.555 714 HB2 LEU 89 2HB LEU 89 -0.078 18.886 19.005 715 HB3 LEU 89 1HB LEU 89 1.350 18.293 18.186 716 HG LEU 89 HG LEU 89 0.218 19.113 15.989 717 HD11 LEU 89 1HD1 LEU 89 -1.298 21.034 16.209 718 HD12 LEU 89 2HD1 LEU 89 -1.418 20.744 17.948 719 HD13 LEU 89 3HD1 LEU 89 -2.030 19.546 16.804 720 HD21 LEU 89 3HD2 LEU 89 1.141 21.358 16.274 721 HD22 LEU 89 1HD2 LEU 89 2.205 20.129 16.953 722 HD23 LEU 89 2HD2 LEU 89 1.207 21.119 18.022 723 H GLU 90 H GLU 90 -2.216 16.485 16.140 724 HA GLU 90 HA GLU 90 -4.534 17.519 17.456 725 HB2 GLU 90 2HB GLU 90 -4.235 15.644 15.071 726 HB3 GLU 90 1HB GLU 90 -5.738 16.413 15.563 727 HG2 GLU 90 2HG GLU 90 -3.243 17.864 14.640 728 HG3 GLU 90 1HG GLU 90 -4.677 17.559 13.659 729 H281 4EM 101 2H28 PYA 142 1.022 -10.076 8.241 730 H283 4EM 101 3H28 PYA 142 2.201 -10.640 9.428 731 H303 4EM 101 3H30 PYA 142 -1.937 -11.603 9.979 732 H301 4EM 101 1H30 PYA 142 -1.028 -12.382 8.680 733 H302 4EM 101 2H30 PYA 142 -1.455 -10.669 8.567 734 H312 4EM 101 2H31 PYA 142 0.845 -9.455 11.170 735 H313 4EM 101 3H31 PYA 142 -0.342 -8.989 9.956 736 H311 4EM 101 1H31 PYA 142 -0.863 -9.860 11.402 737 H32 4EM 101 H32 PYA 142 1.339 -11.747 11.599 738 H33 4EM 101 H33 PYA 142 -0.385 -13.050 12.511 739 H36 4EM 101 H36 PYA 142 -0.396 -13.662 8.996 740 H373 4EM 101 3H37 PYA 142 0.830 -15.369 7.849 741 H372 4EM 101 2H37 PYA 142 1.658 -15.764 9.352 742 H382 4EM 101 2H38 PYA 142 -0.471 -16.611 10.266 743 H383 4EM 101 3H38 PYA 142 0.098 -17.504 8.863 744 H41 4EM 101 H41 PYA 142 -1.088 -14.985 7.184 745 H423 4EM 101 3H42 PYA 142 -3.824 -14.846 7.439 746 H422 4EM 101 2H42 PYA 142 -3.562 -16.374 6.609 747 H433 4EM 101 3H43 PYA 142 -4.089 -14.783 4.940 748 H432 4EM 101 2H43 PYA 142 -2.362 -15.080 4.809 749 H44 4EM 101 H44 PYA 142 -3.675 -12.768 5.221 750 H49 4EM 101 H49 PYA 142 0.111 -10.729 6.385 751 H51 4EM 101 H51 PYA 142 -0.916 -8.360 5.947 752 H50 4EM 101 H50 PYA 142 -3.411 -8.668 5.254 753 H48 4EM 101 H48 PYA 142 -3.892 -11.189 5.357 Start of MODEL 20 1 H1 MET 1 1H MET 1 5.594 16.931 -3.263 2 H2 MET 1 2H MET 1 4.773 18.277 -3.851 3 H3 MET 1 3H MET 1 5.977 17.548 -4.787 4 HA MET 1 HA MET 1 3.752 17.037 -5.545 5 HB2 MET 1 2HB MET 1 4.111 14.584 -5.707 6 HB3 MET 1 1HB MET 1 5.573 15.496 -6.037 7 HG2 MET 1 2HG MET 1 6.274 13.644 -4.762 8 HG3 MET 1 1HG MET 1 6.263 14.984 -3.615 9 HE1 MET 1 3HE MET 1 5.203 11.742 -1.542 10 HE2 MET 1 1HE MET 1 6.414 13.014 -1.692 11 HE3 MET 1 2HE MET 1 6.288 11.760 -2.931 12 H ASP 2 H ASP 2 1.813 15.733 -5.153 13 HA ASP 2 HA ASP 2 0.835 16.126 -2.400 14 HB2 ASP 2 2HB ASP 2 -0.669 15.571 -5.006 15 HB3 ASP 2 1HB ASP 2 -1.448 15.746 -3.433 16 H GLY 3 H GLY 3 -1.031 14.455 -1.865 17 HA2 GLY 3 2HA GLY 3 0.113 11.943 -1.280 18 HA3 GLY 3 1HA GLY 3 -1.584 12.367 -1.133 19 H GLU 4 H GLU 4 -2.091 13.014 -3.831 20 HA GLU 4 HA GLU 4 -2.826 10.633 -5.029 21 HB2 GLU 4 2HB GLU 4 -2.196 13.281 -6.363 22 HB3 GLU 4 1HB GLU 4 -3.054 11.953 -7.142 23 HG2 GLU 4 2HG GLU 4 -3.990 13.421 -4.670 24 HG3 GLU 4 1HG GLU 4 -4.563 13.708 -6.303 25 H GLU 5 H GLU 5 0.164 12.448 -5.463 26 HA GLU 5 HA GLU 5 1.320 11.016 -7.595 27 HB2 GLU 5 2HB GLU 5 2.243 13.143 -7.001 28 HB3 GLU 5 1HB GLU 5 2.486 12.662 -5.326 29 HG2 GLU 5 2HG GLU 5 4.605 12.843 -6.545 30 HG3 GLU 5 1HG GLU 5 4.333 11.210 -5.960 31 H VAL 6 H VAL 6 1.770 10.662 -4.068 32 HA VAL 6 HA VAL 6 3.732 8.627 -4.353 33 HB VAL 6 HB VAL 6 3.670 10.117 -2.368 34 HG11 VAL 6 1HG1 VAL 6 1.270 8.494 -1.445 35 HG12 VAL 6 2HG1 VAL 6 1.267 10.207 -1.869 36 HG13 VAL 6 3HG1 VAL 6 2.168 9.653 -0.459 37 HG21 VAL 6 3HG2 VAL 6 3.559 7.158 -1.727 38 HG22 VAL 6 1HG2 VAL 6 4.295 8.399 -0.709 39 HG23 VAL 6 2HG2 VAL 6 4.969 8.050 -2.302 40 H LYS 7 H LYS 7 0.237 8.567 -4.010 41 HA LYS 7 HA LYS 7 -0.370 5.969 -3.268 42 HB2 LYS 7 2HB LYS 7 -1.666 7.537 -5.537 43 HB3 LYS 7 1HB LYS 7 -2.367 6.113 -4.769 44 HG2 LYS 7 2HG LYS 7 -2.474 7.397 -2.618 45 HG3 LYS 7 1HG LYS 7 -1.926 8.819 -3.505 46 HD2 LYS 7 2HD LYS 7 -4.566 7.383 -3.678 47 HD3 LYS 7 1HD LYS 7 -4.242 9.111 -3.525 48 HE2 LYS 7 2HE LYS 7 -3.445 9.149 -5.883 49 HE3 LYS 7 1HE LYS 7 -3.845 7.438 -6.036 50 HZ1 LYS 7 3HZ LYS 7 -5.550 8.888 -6.933 51 HZ2 LYS 7 1HZ LYS 7 -5.778 9.593 -5.417 52 HZ3 LYS 7 2HZ LYS 7 -6.146 7.964 -5.654 53 H GLU 8 H GLU 8 0.287 7.121 -6.571 54 HA GLU 8 HA GLU 8 0.131 4.705 -7.914 55 HB2 GLU 8 2HB GLU 8 -0.013 6.901 -9.042 56 HB3 GLU 8 1HB GLU 8 1.668 7.245 -8.626 57 HG2 GLU 8 2HG GLU 8 2.398 5.356 -9.958 58 HG3 GLU 8 1HG GLU 8 0.734 4.955 -10.322 59 H LYS 9 H LYS 9 2.872 6.341 -6.334 60 HA LYS 9 HA LYS 9 4.898 4.573 -7.280 61 HB2 LYS 9 2HB LYS 9 4.942 6.279 -4.767 62 HB3 LYS 9 1HB LYS 9 6.338 5.550 -5.555 63 HG2 LYS 9 2HG LYS 9 5.705 6.957 -7.617 64 HG3 LYS 9 1HG LYS 9 4.625 7.844 -6.536 65 HD2 LYS 9 2HD LYS 9 7.637 7.555 -6.269 66 HD3 LYS 9 1HD LYS 9 6.757 9.010 -6.728 67 HE2 LYS 9 2HE LYS 9 5.790 9.183 -4.496 68 HE3 LYS 9 1HE LYS 9 6.514 7.644 -4.023 69 HZ1 LYS 9 3HZ LYS 9 8.699 8.641 -4.394 70 HZ2 LYS 9 1HZ LYS 9 7.819 9.427 -3.183 71 HZ3 LYS 9 2HZ LYS 9 7.967 10.134 -4.714 72 H ILE 10 H ILE 10 2.748 4.480 -4.470 73 HA ILE 10 HA ILE 10 4.007 2.385 -3.021 74 HB ILE 10 HB ILE 10 1.027 3.015 -3.148 75 HG12 ILE 10 2HG1 ILE 10 2.200 5.044 -2.476 76 HG13 ILE 10 1HG1 ILE 10 1.388 4.380 -1.072 77 HG21 ILE 10 1HG2 ILE 10 2.595 1.547 -1.014 78 HG22 ILE 10 2HG2 ILE 10 1.422 0.838 -2.123 79 HG23 ILE 10 3HG2 ILE 10 0.890 1.989 -0.895 80 HD11 ILE 10 3HD1 ILE 10 3.508 3.501 -0.247 81 HD12 ILE 10 1HD1 ILE 10 3.601 5.239 -0.538 82 HD13 ILE 10 2HD1 ILE 10 4.330 4.118 -1.685 83 H ARG 11 H ARG 11 1.770 2.432 -5.735 84 HA ARG 11 HA ARG 11 1.239 -0.416 -5.755 85 HB2 ARG 11 2HB ARG 11 0.653 1.731 -7.820 86 HB3 ARG 11 1HB ARG 11 0.060 0.079 -7.889 87 HG2 ARG 11 2HG ARG 11 -0.603 2.079 -5.720 88 HG3 ARG 11 1HG ARG 11 -1.635 1.688 -7.095 89 HD2 ARG 11 2HD ARG 11 -2.523 0.445 -5.294 90 HD3 ARG 11 1HD ARG 11 -1.610 -0.736 -6.224 91 HE ARG 11 HE ARG 11 0.209 -0.404 -4.512 92 HH11 ARG 11 1HH1 ARG 11 -3.139 0.129 -3.644 93 HH12 ARG 11 2HH1 ARG 11 -2.872 -0.216 -1.970 94 HH21 ARG 11 1HH2 ARG 11 0.561 -0.855 -2.357 95 HH22 ARG 11 2HH2 ARG 11 -0.755 -0.777 -1.246 96 H ARG 12 H ARG 12 3.030 1.805 -7.843 97 HA ARG 12 HA ARG 12 3.979 -0.027 -9.746 98 HB2 ARG 12 2HB ARG 12 4.712 2.761 -8.898 99 HB3 ARG 12 1HB ARG 12 5.906 1.894 -9.850 100 HG2 ARG 12 2HG ARG 12 4.408 3.387 -11.194 101 HG3 ARG 12 1HG ARG 12 4.398 1.706 -11.721 102 HD2 ARG 12 2HD ARG 12 2.246 1.326 -10.759 103 HD3 ARG 12 1HD ARG 12 2.297 2.843 -9.866 104 HE ARG 12 HE ARG 12 2.342 3.848 -12.264 105 HH11 ARG 12 1HH1 ARG 12 0.457 1.091 -11.259 106 HH12 ARG 12 2HH1 ARG 12 -0.814 1.400 -12.397 107 HH21 ARG 12 1HH2 ARG 12 0.623 4.325 -13.644 108 HH22 ARG 12 2HH2 ARG 12 -0.720 3.233 -13.753 109 H TYR 13 H TYR 13 5.338 1.085 -6.693 110 HA TYR 13 HA TYR 13 7.837 -0.156 -6.707 111 HB2 TYR 13 2HB TYR 13 7.275 1.455 -4.997 112 HB3 TYR 13 1HB TYR 13 5.939 0.475 -4.401 113 HD1 TYR 13 HD1 TYR 13 9.677 0.181 -4.951 114 HD2 TYR 13 HD2 TYR 13 6.355 -0.748 -2.420 115 HE1 TYR 13 HE1 TYR 13 11.203 -0.817 -3.319 116 HE2 TYR 13 HE2 TYR 13 7.893 -1.739 -0.781 117 HH TYR 13 HH TYR 13 10.226 -2.785 -0.840 118 H ILE 14 H ILE 14 4.680 -1.484 -5.709 119 HA ILE 14 HA ILE 14 5.549 -4.014 -4.801 120 HB ILE 14 HB ILE 14 2.839 -3.313 -6.016 121 HG12 ILE 14 2HG1 ILE 14 3.636 -3.345 -3.077 122 HG13 ILE 14 1HG1 ILE 14 3.500 -1.884 -4.043 123 HG21 ILE 14 1HG2 ILE 14 3.623 -5.645 -4.215 124 HG22 ILE 14 2HG2 ILE 14 3.186 -5.753 -5.920 125 HG23 ILE 14 3HG2 ILE 14 1.978 -5.264 -4.734 126 HD11 ILE 14 3HD1 ILE 14 1.552 -2.213 -2.656 127 HD12 ILE 14 1HD1 ILE 14 1.260 -3.787 -3.391 128 HD13 ILE 14 2HD1 ILE 14 1.113 -2.318 -4.361 129 H MET 15 H MET 15 4.344 -2.938 -7.983 130 HA MET 15 HA MET 15 4.411 -5.549 -9.153 131 HB2 MET 15 2HB MET 15 4.379 -2.893 -10.659 132 HB3 MET 15 1HB MET 15 3.801 -4.458 -11.225 133 HG2 MET 15 2HG MET 15 2.564 -2.697 -9.104 134 HG3 MET 15 1HG MET 15 1.884 -3.130 -10.672 135 HE1 MET 15 3HE MET 15 2.426 -6.267 -10.845 136 HE2 MET 15 1HE MET 15 0.878 -5.511 -11.231 137 HE3 MET 15 2HE MET 15 0.938 -6.895 -10.134 138 H GLU 16 H GLU 16 6.571 -2.717 -9.566 139 HA GLU 16 HA GLU 16 8.254 -3.955 -11.500 140 HB2 GLU 16 2HB GLU 16 8.780 -1.498 -9.778 141 HB3 GLU 16 1HB GLU 16 9.694 -1.953 -11.213 142 HG2 GLU 16 2HG GLU 16 7.757 -1.599 -12.626 143 HG3 GLU 16 1HG GLU 16 6.743 -1.275 -11.216 144 H ASP 17 H ASP 17 8.418 -3.673 -7.976 145 HA ASP 17 HA ASP 17 11.126 -4.887 -7.970 146 HB2 ASP 17 2HB ASP 17 10.938 -2.783 -6.703 147 HB3 ASP 17 1HB ASP 17 9.622 -3.449 -5.741 148 H LEU 18 H LEU 18 8.028 -5.186 -6.176 149 HA LEU 18 HA LEU 18 8.929 -7.557 -4.825 150 HB2 LEU 18 2HB LEU 18 6.268 -6.109 -4.838 151 HB3 LEU 18 1HB LEU 18 6.519 -7.588 -3.939 152 HG LEU 18 HG LEU 18 6.784 -5.852 -2.350 153 HD11 LEU 18 1HD1 LEU 18 9.586 -6.669 -3.178 154 HD12 LEU 18 2HD1 LEU 18 8.485 -7.592 -2.147 155 HD13 LEU 18 3HD1 LEU 18 9.101 -6.038 -1.606 156 HD21 LEU 18 3HD2 LEU 18 8.694 -4.387 -4.198 157 HD22 LEU 18 1HD2 LEU 18 8.221 -3.888 -2.571 158 HD23 LEU 18 2HD2 LEU 18 7.025 -3.925 -3.863 159 H ILE 19 H ILE 19 6.723 -7.026 -7.568 160 HA ILE 19 HA ILE 19 6.370 -9.878 -7.982 161 HB ILE 19 HB ILE 19 5.595 -7.457 -9.650 162 HG12 ILE 19 2HG1 ILE 19 3.270 -8.371 -9.402 163 HG13 ILE 19 1HG1 ILE 19 3.915 -9.685 -8.445 164 HG21 ILE 19 1HG2 ILE 19 6.390 -9.105 -11.280 165 HG22 ILE 19 2HG2 ILE 19 4.638 -8.937 -11.390 166 HG23 ILE 19 3HG2 ILE 19 5.340 -10.337 -10.574 167 HD11 ILE 19 3HD1 ILE 19 2.838 -8.011 -7.080 168 HD12 ILE 19 1HD1 ILE 19 3.953 -6.779 -7.681 169 HD13 ILE 19 2HD1 ILE 19 4.558 -8.124 -6.702 170 H GLY 20 H GLY 20 8.150 -7.214 -9.516 171 HA2 GLY 20 2HA GLY 20 10.598 -7.573 -9.735 172 HA3 GLY 20 1HA GLY 20 10.222 -9.139 -10.443 173 HA PRO 21 HA PRO 21 10.936 -5.988 -13.806 174 HB2 PRO 21 2HB PRO 21 12.508 -7.554 -15.426 175 HB3 PRO 21 1HB PRO 21 13.153 -6.719 -13.999 176 HG2 PRO 21 2HG PRO 21 12.309 -9.587 -14.263 177 HG3 PRO 21 1HG PRO 21 13.774 -8.906 -13.513 178 HD2 PRO 21 2HD PRO 21 11.615 -9.654 -12.034 179 HD3 PRO 21 1HD PRO 21 12.666 -8.298 -11.561 180 H SER 22 H SER 22 9.443 -9.106 -13.750 181 HA SER 22 HA SER 22 8.066 -8.636 -16.333 182 HB2 SER 22 2HB SER 22 8.158 -11.131 -14.577 183 HB3 SER 22 1HB SER 22 7.345 -11.007 -16.135 184 HG SER 22 HG SER 22 10.005 -10.249 -16.115 185 H ALA 23 H ALA 23 7.383 -6.808 -14.628 186 HA ALA 23 HA ALA 23 5.268 -7.399 -12.793 187 HB1 ALA 23 3HB ALA 23 6.209 -4.783 -14.006 188 HB2 ALA 23 1HB ALA 23 6.745 -5.491 -12.478 189 HB3 ALA 23 2HB ALA 23 5.081 -4.933 -12.653 190 H LYS 24 H LYS 24 3.081 -6.437 -12.974 191 HA LYS 24 HA LYS 24 1.997 -6.317 -15.739 192 HB2 LYS 24 2HB LYS 24 0.656 -7.638 -13.343 193 HB3 LYS 24 1HB LYS 24 -0.023 -7.503 -14.966 194 HG2 LYS 24 2HG LYS 24 1.750 -8.967 -15.847 195 HG3 LYS 24 1HG LYS 24 2.468 -9.079 -14.234 196 HD2 LYS 24 2HD LYS 24 0.284 -10.071 -13.419 197 HD3 LYS 24 1HD LYS 24 -0.260 -10.113 -15.098 198 HE2 LYS 24 2HE LYS 24 1.535 -11.646 -15.689 199 HE3 LYS 24 1HE LYS 24 2.223 -11.518 -14.068 200 HZ1 LYS 24 3HZ LYS 24 0.932 -13.547 -14.377 201 HZ2 LYS 24 1HZ LYS 24 -0.451 -12.623 -14.695 202 HZ3 LYS 24 2HZ LYS 24 0.276 -12.564 -13.172 203 H GLU 25 H GLU 25 1.836 -4.054 -15.732 204 HA GLU 25 HA GLU 25 0.410 -2.538 -13.768 205 HB2 GLU 25 2HB GLU 25 -0.076 -1.034 -16.030 206 HB3 GLU 25 1HB GLU 25 1.385 -0.952 -15.084 207 HG2 GLU 25 2HG GLU 25 1.849 -0.985 -17.486 208 HG3 GLU 25 1HG GLU 25 2.563 -2.359 -16.655 209 H ASP 26 H ASP 26 -0.609 -4.779 -16.136 210 HA ASP 26 HA ASP 26 -3.033 -3.969 -17.092 211 HB2 ASP 26 2HB ASP 26 -2.456 -6.815 -16.143 212 HB3 ASP 26 1HB ASP 26 -3.607 -6.343 -17.379 213 H GLU 27 H GLU 27 -2.535 -6.048 -14.259 214 HA GLU 27 HA GLU 27 -5.342 -5.883 -13.487 215 HB2 GLU 27 2HB GLU 27 -4.742 -7.641 -11.852 216 HB3 GLU 27 1HB GLU 27 -4.324 -8.060 -13.508 217 HG2 GLU 27 2HG GLU 27 -1.945 -7.336 -12.994 218 HG3 GLU 27 1HG GLU 27 -2.430 -7.204 -11.303 219 H LEU 28 H LEU 28 -2.486 -4.275 -12.690 220 HA LEU 28 HA LEU 28 -3.183 -3.515 -10.027 221 HB2 LEU 28 2HB LEU 28 -0.848 -3.471 -11.051 222 HB3 LEU 28 1HB LEU 28 -1.336 -2.067 -11.975 223 HG LEU 28 HG LEU 28 0.030 -1.538 -9.928 224 HD11 LEU 28 1HD1 LEU 28 -2.742 -0.298 -9.839 225 HD12 LEU 28 2HD1 LEU 28 -1.414 0.226 -10.875 226 HD13 LEU 28 3HD1 LEU 28 -1.274 0.371 -9.128 227 HD21 LEU 28 3HD2 LEU 28 -2.397 -2.483 -8.355 228 HD22 LEU 28 1HD2 LEU 28 -0.948 -1.728 -7.689 229 HD23 LEU 28 2HD2 LEU 28 -0.841 -3.314 -8.446 230 H ASP 29 H ASP 29 -4.817 -2.210 -9.560 231 HA ASP 29 HA ASP 29 -5.343 0.210 -11.117 232 HB2 ASP 29 2HB ASP 29 -6.939 -1.674 -11.888 233 HB3 ASP 29 1HB ASP 29 -7.577 -1.680 -10.242 234 H ASP 30 H ASP 30 -6.993 1.557 -9.765 235 HA ASP 30 HA ASP 30 -6.083 1.825 -7.086 236 HB2 ASP 30 2HB ASP 30 -6.651 3.825 -8.343 237 HB3 ASP 30 1HB ASP 30 -8.270 3.218 -8.671 238 H GLN 31 H GLN 31 -9.098 0.708 -8.587 239 HA GLN 31 HA GLN 31 -10.230 0.056 -5.933 240 HB2 GLN 31 2HB GLN 31 -11.583 0.452 -8.632 241 HB3 GLN 31 1HB GLN 31 -12.424 -0.024 -7.156 242 HG2 GLN 31 2HG GLN 31 -11.666 2.080 -6.066 243 HG3 GLN 31 1HG GLN 31 -10.912 2.575 -7.581 244 HE21 GLN 31 1HE2 GLN 31 -12.168 4.428 -7.667 245 HE22 GLN 31 2HE2 GLN 31 -13.845 4.391 -8.086 246 H THR 32 H THR 32 -8.323 -1.601 -7.770 247 HA THR 32 HA THR 32 -9.781 -4.130 -7.828 248 HB THR 32 HB THR 32 -6.899 -3.406 -8.452 249 HG1 THR 32 HG1 THR 32 -9.253 -3.946 -9.918 250 HG21 THR 32 3HG2 THR 32 -6.881 -5.726 -7.587 251 HG22 THR 32 1HG2 THR 32 -6.631 -5.721 -9.333 252 HG23 THR 32 2HG2 THR 32 -8.207 -6.163 -8.668 253 HA PRO 33 HA PRO 33 -8.666 -4.884 -3.479 254 HB2 PRO 33 2HB PRO 33 -9.770 -7.387 -3.258 255 HB3 PRO 33 1HB PRO 33 -10.750 -5.911 -3.308 256 HG2 PRO 33 2HG PRO 33 -10.163 -7.841 -5.521 257 HG3 PRO 33 1HG PRO 33 -11.707 -7.077 -5.072 258 HD2 PRO 33 2HD PRO 33 -10.161 -6.158 -7.114 259 HD3 PRO 33 1HD PRO 33 -11.190 -5.086 -6.139 260 H LEU 34 H LEU 34 -6.486 -5.110 -3.370 261 HA LEU 34 HA LEU 34 -4.944 -6.941 -4.889 262 HB2 LEU 34 2HB LEU 34 -4.108 -5.298 -2.478 263 HB3 LEU 34 1HB LEU 34 -3.050 -5.966 -3.713 264 HG LEU 34 HG LEU 34 -5.144 -3.813 -4.233 265 HD11 LEU 34 1HD1 LEU 34 -2.150 -3.504 -3.935 266 HD12 LEU 34 2HD1 LEU 34 -3.382 -2.944 -2.799 267 HD13 LEU 34 3HD1 LEU 34 -3.289 -2.239 -4.409 268 HD21 LEU 34 3HD2 LEU 34 -2.972 -4.915 -6.058 269 HD22 LEU 34 1HD2 LEU 34 -4.010 -3.531 -6.423 270 HD23 LEU 34 2HD2 LEU 34 -4.712 -5.136 -6.248 271 H LEU 35 H LEU 35 -6.054 -6.928 -1.512 272 HA LEU 35 HA LEU 35 -4.557 -9.214 -0.632 273 HB2 LEU 35 2HB LEU 35 -7.031 -7.853 0.472 274 HB3 LEU 35 1HB LEU 35 -6.445 -9.345 1.187 275 HG LEU 35 HG LEU 35 -5.672 -7.430 2.474 276 HD11 LEU 35 1HD1 LEU 35 -4.193 -9.382 2.398 277 HD12 LEU 35 2HD1 LEU 35 -3.280 -7.889 2.573 278 HD13 LEU 35 3HD1 LEU 35 -3.339 -8.702 1.008 279 HD21 LEU 35 3HD2 LEU 35 -5.698 -5.724 0.756 280 HD22 LEU 35 1HD2 LEU 35 -4.312 -6.466 -0.047 281 HD23 LEU 35 2HD2 LEU 35 -4.138 -5.770 1.563 282 H GLU 36 H GLU 36 -7.828 -8.793 -1.884 283 HA GLU 36 HA GLU 36 -8.705 -11.466 -1.669 284 HB2 GLU 36 2HB GLU 36 -10.139 -9.428 -1.970 285 HB3 GLU 36 1HB GLU 36 -9.602 -9.317 -3.632 286 HG2 GLU 36 2HG GLU 36 -10.973 -11.824 -2.689 287 HG3 GLU 36 1HG GLU 36 -11.932 -10.386 -3.014 288 H TRP 37 H TRP 37 -6.677 -9.819 -4.006 289 HA TRP 37 HA TRP 37 -6.754 -12.073 -5.919 290 HB2 TRP 37 2HB TRP 37 -5.488 -9.310 -5.990 291 HB3 TRP 37 1HB TRP 37 -5.142 -10.524 -7.216 292 HD1 TRP 37 HD1 TRP 37 -8.651 -9.621 -5.767 293 HE1 TRP 37 HE1 TRP 37 -10.150 -8.880 -7.706 294 HE3 TRP 37 HE3 TRP 37 -5.216 -9.809 -9.544 295 HZ2 TRP 37 HZ2 TRP 37 -9.924 -8.434 -10.481 296 HZ3 TRP 37 HZ3 TRP 37 -5.944 -9.209 -11.817 297 HH2 TRP 37 HH2 TRP 37 -8.246 -8.536 -12.277 298 H GLY 38 H GLY 38 -5.194 -11.474 -3.089 299 HA2 GLY 38 2HA GLY 38 -3.460 -12.500 -2.011 300 HA3 GLY 38 1HA GLY 38 -3.238 -13.524 -3.420 301 H ILE 39 H ILE 39 -3.094 -10.196 -4.119 302 HA ILE 39 HA ILE 39 -0.453 -10.279 -5.152 303 HB ILE 39 HB ILE 39 -2.388 -7.964 -4.643 304 HG12 ILE 39 2HG1 ILE 39 -1.670 -9.390 -7.245 305 HG13 ILE 39 1HG1 ILE 39 -3.145 -9.653 -6.329 306 HG21 ILE 39 1HG2 ILE 39 -0.112 -7.031 -4.690 307 HG22 ILE 39 2HG2 ILE 39 -1.035 -6.531 -6.105 308 HG23 ILE 39 3HG2 ILE 39 0.182 -7.802 -6.253 309 HD11 ILE 39 3HD1 ILE 39 -3.569 -8.268 -8.258 310 HD12 ILE 39 1HD1 ILE 39 -2.345 -7.109 -7.746 311 HD13 ILE 39 2HD1 ILE 39 -3.814 -7.321 -6.790 312 H LEU 40 H LEU 40 -1.872 -9.175 -2.134 313 HA LEU 40 HA LEU 40 0.765 -8.289 -1.130 314 HB2 LEU 40 2HB LEU 40 -1.986 -7.634 -0.014 315 HB3 LEU 40 1HB LEU 40 -0.448 -6.958 0.505 316 HG LEU 40 HG LEU 40 -1.818 -6.486 -2.168 317 HD11 LEU 40 1HD1 LEU 40 -1.893 -4.126 -1.436 318 HD12 LEU 40 2HD1 LEU 40 -1.294 -4.617 0.153 319 HD13 LEU 40 3HD1 LEU 40 -2.853 -5.211 -0.437 320 HD21 LEU 40 3HD2 LEU 40 0.570 -6.627 -2.572 321 HD22 LEU 40 1HD2 LEU 40 0.898 -5.488 -1.261 322 HD23 LEU 40 2HD2 LEU 40 0.041 -4.954 -2.710 323 H ASN 41 H ASN 41 1.717 -9.914 -0.181 324 HA ASN 41 HA ASN 41 0.488 -11.176 2.194 325 HB2 ASN 41 2HB ASN 41 2.054 -12.568 -0.035 326 HB3 ASN 41 1HB ASN 41 1.857 -13.276 1.564 327 HD21 ASN 41 1HD2 ASN 41 -0.830 -12.523 2.045 328 HD22 ASN 41 2HD2 ASN 41 -1.830 -13.407 0.957 329 H SER 42 H SER 42 2.420 -12.078 3.624 330 HA SER 42 HA SER 42 3.980 -9.745 4.179 331 HB2 SER 42 3HB SER 42 3.702 -12.427 5.518 332 HB3 SER 42 2HB SER 42 4.992 -11.333 6.029 333 H MET 43 H MET 43 4.737 -11.696 1.762 334 HA MET 43 HA MET 43 7.662 -11.647 2.171 335 HB2 MET 43 2HB MET 43 7.682 -12.801 -0.079 336 HB3 MET 43 1HB MET 43 6.905 -13.702 1.206 337 HG2 MET 43 2HG MET 43 4.891 -12.144 -0.185 338 HG3 MET 43 1HG MET 43 5.843 -13.056 -1.354 339 HE1 MET 43 3HE MET 43 3.820 -13.367 2.047 340 HE2 MET 43 1HE MET 43 5.257 -14.345 2.384 341 HE3 MET 43 2HE MET 43 3.683 -15.122 2.206 342 H ASN 44 H ASN 44 5.276 -9.562 1.145 343 HA ASN 44 HA ASN 44 7.150 -7.902 -0.386 344 HB2 ASN 44 2HB ASN 44 5.494 -7.528 -2.214 345 HB3 ASN 44 1HB ASN 44 6.059 -9.185 -2.130 346 HD21 ASN 44 1HD2 ASN 44 4.344 -10.016 -3.256 347 HD22 ASN 44 2HD2 ASN 44 2.727 -10.055 -2.658 348 H ILE 45 H ILE 45 4.177 -8.183 1.438 349 HA ILE 45 HA ILE 45 3.274 -5.493 1.228 350 HB ILE 45 HB ILE 45 1.907 -7.587 1.835 351 HG12 ILE 45 2HG1 ILE 45 1.508 -5.128 3.586 352 HG13 ILE 45 1HG1 ILE 45 0.894 -5.327 1.946 353 HG21 ILE 45 1HG2 ILE 45 1.704 -8.268 4.157 354 HG22 ILE 45 2HG2 ILE 45 2.866 -7.031 4.664 355 HG23 ILE 45 3HG2 ILE 45 3.399 -8.382 3.668 356 HD11 ILE 45 3HD1 ILE 45 -0.830 -5.707 3.650 357 HD12 ILE 45 1HD1 ILE 45 0.125 -7.041 4.310 358 HD13 ILE 45 2HD1 ILE 45 -0.529 -7.152 2.674 359 H VAL 46 H VAL 46 5.566 -7.103 3.248 360 HA VAL 46 HA VAL 46 5.684 -5.293 5.454 361 HB VAL 46 HB VAL 46 7.787 -7.269 4.467 362 HG11 VAL 46 1HG1 VAL 46 7.428 -6.013 7.213 363 HG12 VAL 46 2HG1 VAL 46 8.735 -5.671 6.077 364 HG13 VAL 46 3HG1 VAL 46 8.602 -7.269 6.811 365 HG21 VAL 46 3HG2 VAL 46 5.544 -7.702 6.478 366 HG22 VAL 46 1HG2 VAL 46 6.802 -8.872 6.069 367 HG23 VAL 46 2HG2 VAL 46 5.618 -8.384 4.852 368 H LYS 47 H LYS 47 7.082 -5.390 2.290 369 HA LYS 47 HA LYS 47 9.185 -3.490 2.699 370 HB2 LYS 47 2HB LYS 47 7.873 -4.588 0.197 371 HB3 LYS 47 1HB LYS 47 9.120 -3.347 0.129 372 HG2 LYS 47 2HG LYS 47 10.132 -5.462 -0.296 373 HG3 LYS 47 1HG LYS 47 10.682 -4.903 1.282 374 HD2 LYS 47 2HD LYS 47 9.351 -6.512 2.437 375 HD3 LYS 47 1HD LYS 47 8.360 -6.838 1.010 376 HE2 LYS 47 2HE LYS 47 10.014 -8.654 1.566 377 HE3 LYS 47 1HE LYS 47 10.151 -8.011 -0.068 378 HZ1 LYS 47 3HZ LYS 47 11.866 -7.186 2.198 379 HZ2 LYS 47 1HZ LYS 47 12.031 -6.736 0.577 380 HZ3 LYS 47 2HZ LYS 47 12.284 -8.342 1.040 381 H LEU 48 H LEU 48 5.769 -3.314 1.946 382 HA LEU 48 HA LEU 48 5.725 -0.530 1.274 383 HB2 LEU 48 2HB LEU 48 3.505 -2.393 2.213 384 HB3 LEU 48 1HB LEU 48 3.232 -0.692 1.873 385 HG LEU 48 HG LEU 48 2.516 -1.898 -0.062 386 HD11 LEU 48 1HD1 LEU 48 5.242 -0.709 -0.715 387 HD12 LEU 48 2HD1 LEU 48 3.736 0.196 -0.542 388 HD13 LEU 48 3HD1 LEU 48 3.913 -0.971 -1.849 389 HD21 LEU 48 3HD2 LEU 48 5.209 -3.301 -0.149 390 HD22 LEU 48 1HD2 LEU 48 3.917 -3.461 -1.342 391 HD23 LEU 48 2HD2 LEU 48 3.669 -4.031 0.305 392 H MET 49 H MET 49 5.466 -2.373 4.287 393 HA MET 49 HA MET 49 4.563 -0.364 6.042 394 HB2 MET 49 2HB MET 49 6.515 -2.622 6.676 395 HB3 MET 49 1HB MET 49 5.590 -1.712 7.862 396 HG2 MET 49 2HG MET 49 3.519 -2.682 7.056 397 HG3 MET 49 1HG MET 49 4.377 -3.492 5.737 398 HE1 MET 49 3HE MET 49 3.584 -6.613 7.937 399 HE2 MET 49 1HE MET 49 3.670 -5.990 6.285 400 HE3 MET 49 2HE MET 49 2.549 -5.277 7.447 401 H VAL 50 H VAL 50 7.879 -1.332 5.169 402 HA VAL 50 HA VAL 50 9.156 0.773 6.660 403 HB VAL 50 HB VAL 50 10.316 -1.383 6.243 404 HG11 VAL 50 1HG1 VAL 50 10.479 -0.524 3.324 405 HG12 VAL 50 2HG1 VAL 50 9.575 -1.899 3.962 406 HG13 VAL 50 3HG1 VAL 50 11.336 -1.896 4.037 407 HG21 VAL 50 3HG2 VAL 50 11.805 0.998 5.078 408 HG22 VAL 50 1HG2 VAL 50 12.554 -0.477 5.695 409 HG23 VAL 50 2HG2 VAL 50 11.678 0.593 6.789 410 H TYR 51 H TYR 51 8.014 0.395 3.346 411 HA TYR 51 HA TYR 51 9.463 2.436 2.033 412 HB2 TYR 51 2HB TYR 51 7.937 0.689 0.910 413 HB3 TYR 51 1HB TYR 51 6.578 1.683 1.382 414 HD1 TYR 51 HD2 TYR 51 6.188 3.907 0.277 415 HD2 TYR 51 HD1 TYR 51 9.458 1.417 -0.897 416 HE1 TYR 51 HE2 TYR 51 6.458 5.236 -1.762 417 HE2 TYR 51 HE1 TYR 51 9.728 2.749 -2.946 418 HH TYR 51 HH TYR 51 8.268 5.770 -3.376 419 H ILE 52 H ILE 52 6.269 2.461 3.528 420 HA ILE 52 HA ILE 52 5.634 5.181 2.945 421 HB ILE 52 HB ILE 52 4.356 3.260 4.957 422 HG12 ILE 52 2HG1 ILE 52 3.374 3.838 2.129 423 HG13 ILE 52 1HG1 ILE 52 4.520 2.543 2.447 424 HG21 ILE 52 1HG2 ILE 52 3.705 5.598 5.362 425 HG22 ILE 52 2HG2 ILE 52 2.339 4.655 4.767 426 HG23 ILE 52 3HG2 ILE 52 3.193 5.755 3.684 427 HD11 ILE 52 3HD1 ILE 52 1.741 2.757 3.585 428 HD12 ILE 52 1HD1 ILE 52 2.903 1.462 3.896 429 HD13 ILE 52 2HD1 ILE 52 2.276 1.710 2.269 430 H ARG 53 H ARG 53 7.182 3.553 5.671 431 HA ARG 53 HA ARG 53 7.219 5.896 7.364 432 HB2 ARG 53 2HB ARG 53 7.282 3.535 8.250 433 HB3 ARG 53 1HB ARG 53 8.938 3.403 7.664 434 HG2 ARG 53 2HG ARG 53 9.624 5.254 9.153 435 HG3 ARG 53 1HG ARG 53 7.959 5.431 9.710 436 HD2 ARG 53 2HD ARG 53 9.292 4.218 11.358 437 HD3 ARG 53 1HD ARG 53 8.050 3.166 10.681 438 HE ARG 53 HE ARG 53 9.742 2.064 9.377 439 HH11 ARG 53 1HH1 ARG 53 11.042 4.169 11.859 440 HH12 ARG 53 2HH1 ARG 53 12.575 3.364 11.903 441 HH21 ARG 53 1HH2 ARG 53 11.730 0.998 9.478 442 HH22 ARG 53 2HH2 ARG 53 12.962 1.567 10.553 443 H ASP 54 H ASP 54 9.271 4.655 4.842 444 HA ASP 54 HA ASP 54 11.547 6.382 5.432 445 HB2 ASP 54 2HB ASP 54 11.717 4.067 4.356 446 HB3 ASP 54 1HB ASP 54 10.980 4.751 2.911 447 H GLU 55 H GLU 55 8.690 6.374 3.492 448 HA GLU 55 HA GLU 55 9.458 8.494 1.660 449 HB2 GLU 55 2HB GLU 55 8.171 6.511 0.895 450 HB3 GLU 55 1HB GLU 55 6.882 6.906 2.025 451 HG2 GLU 55 2HG GLU 55 6.184 7.538 -0.159 452 HG3 GLU 55 1HG GLU 55 6.474 9.010 0.757 453 H MET 56 H MET 56 6.802 7.942 3.969 454 HA MET 56 HA MET 56 6.313 10.872 4.174 455 HB2 MET 56 2HB MET 56 4.420 8.483 4.251 456 HB3 MET 56 1HB MET 56 3.922 10.086 4.776 457 HG2 MET 56 2HG MET 56 4.172 10.992 2.593 458 HG3 MET 56 1HG MET 56 5.033 9.569 2.013 459 HE1 MET 56 3HE MET 56 2.323 6.937 1.446 460 HE2 MET 56 1HE MET 56 3.563 7.054 2.697 461 HE3 MET 56 2HE MET 56 3.947 7.488 1.029 462 H GLY 57 H GLY 57 7.557 8.321 5.943 463 HA2 GLY 57 2HA GLY 57 8.230 8.215 8.151 464 HA3 GLY 57 1HA GLY 57 7.459 9.771 8.440 465 H VAL 58 H VAL 58 5.658 7.111 7.053 466 HA VAL 58 HA VAL 58 3.979 6.962 9.495 467 HB VAL 58 HB VAL 58 3.226 6.397 6.597 468 HG11 VAL 58 1HG1 VAL 58 1.864 5.063 8.108 469 HG12 VAL 58 2HG1 VAL 58 0.880 6.350 7.410 470 HG13 VAL 58 3HG1 VAL 58 1.470 6.494 9.067 471 HG21 VAL 58 3HG2 VAL 58 1.926 8.488 6.676 472 HG22 VAL 58 1HG2 VAL 58 3.653 8.780 6.904 473 HG23 VAL 58 2HG2 VAL 58 2.559 8.818 8.290 474 H SER 59 H SER 59 4.252 5.098 10.596 475 HA SER 59 HA SER 59 5.116 2.620 9.273 476 HB2 SER 59 2HB SER 59 5.293 1.837 11.710 477 HB3 SER 59 1HB SER 59 6.358 3.168 11.255 478 HG SER 59 HG SER 59 3.833 3.488 12.544 479 H ILE 60 H ILE 60 3.781 0.892 9.014 480 HA ILE 60 HA ILE 60 1.010 0.950 9.946 481 HB ILE 60 HB ILE 60 2.480 -1.139 8.275 482 HG12 ILE 60 2HG1 ILE 60 2.056 1.164 7.179 483 HG13 ILE 60 1HG1 ILE 60 1.433 -0.242 6.321 484 HG21 ILE 60 1HG2 ILE 60 0.654 -2.181 9.520 485 HG22 ILE 60 2HG2 ILE 60 0.213 -2.072 7.819 486 HG23 ILE 60 3HG2 ILE 60 -0.479 -0.937 8.979 487 HD11 ILE 60 3HD1 ILE 60 -0.151 1.617 6.301 488 HD12 ILE 60 1HD1 ILE 60 -0.212 1.605 8.061 489 HD13 ILE 60 2HD1 ILE 60 -0.823 0.223 7.147 490 HA PRO 61 HA PRO 61 2.386 -1.625 13.508 491 HB2 PRO 61 2HB PRO 61 0.030 -1.510 14.901 492 HB3 PRO 61 1HB PRO 61 1.169 -0.148 14.860 493 HG2 PRO 61 2HG PRO 61 -1.321 -0.550 13.243 494 HG3 PRO 61 1HG PRO 61 -0.760 0.903 14.101 495 HD2 PRO 61 2HD PRO 61 -0.420 0.566 11.421 496 HD3 PRO 61 1HD PRO 61 0.729 1.485 12.414 497 H SER 62 H SER 62 1.607 -3.685 14.422 498 HA SER 62 HA SER 62 0.966 -5.539 12.371 499 HB2 SER 62 2HB SER 62 1.097 -7.212 14.279 500 HB3 SER 62 1HB SER 62 2.516 -6.176 14.096 501 HG SER 62 HG SER 62 2.110 -5.998 16.195 502 H THR 63 H THR 63 -0.997 -3.933 14.806 503 HA THR 63 HA THR 63 -3.300 -5.639 14.616 504 HB THR 63 HB THR 63 -2.960 -4.241 16.606 505 HG1 THR 63 HG1 THR 63 -5.097 -3.428 16.719 506 HG21 THR 63 3HG2 THR 63 -3.293 -1.805 16.576 507 HG22 THR 63 1HG2 THR 63 -3.465 -1.833 14.820 508 HG23 THR 63 2HG2 THR 63 -1.919 -2.246 15.562 509 H HIS 64 H HIS 64 -2.010 -3.152 12.587 510 HA HIS 64 HA HIS 64 -4.568 -2.824 11.128 511 HB2 HIS 64 2HB HIS 64 -2.039 -1.137 11.066 512 HB3 HIS 64 1HB HIS 64 -3.420 -0.886 10.000 513 HD1 HIS 64 HD1 HIS 64 -4.893 -1.734 13.144 514 HD2 HIS 64 HD2 HIS 64 -3.055 1.674 11.632 515 HE1 HIS 64 HE1 HIS 64 -5.571 0.134 14.676 516 HE2 HIS 64 HE2 HIS 64 -4.629 2.202 13.605 517 H ILE 65 H ILE 65 -2.132 -4.976 11.064 518 HA ILE 65 HA ILE 65 -2.006 -5.226 8.167 519 HB ILE 65 HB ILE 65 -1.386 -7.565 10.048 520 HG12 ILE 65 2HG1 ILE 65 -0.074 -5.698 10.923 521 HG13 ILE 65 1HG1 ILE 65 0.997 -6.794 10.059 522 HG21 ILE 65 1HG2 ILE 65 -1.502 -8.054 7.632 523 HG22 ILE 65 2HG2 ILE 65 0.148 -8.223 8.230 524 HG23 ILE 65 3HG2 ILE 65 -0.307 -6.794 7.301 525 HD11 ILE 65 3HD1 ILE 65 -0.089 -4.180 9.039 526 HD12 ILE 65 1HD1 ILE 65 0.963 -5.273 8.136 527 HD13 ILE 65 2HD1 ILE 65 1.549 -4.497 9.609 528 H THR 66 H THR 66 -4.070 -5.216 7.545 529 HA THR 66 HA THR 66 -5.447 -7.724 7.709 530 HB THR 66 HB THR 66 -6.552 -6.715 9.600 531 HG1 THR 66 HG1 THR 66 -8.260 -7.516 8.605 532 HG21 THR 66 3HG2 THR 66 -7.562 -4.484 9.595 533 HG22 THR 66 1HG2 THR 66 -6.986 -4.220 7.946 534 HG23 THR 66 2HG2 THR 66 -5.829 -4.389 9.266 535 H GLY 67 H GLY 67 -7.369 -7.690 6.201 536 HA2 GLY 67 2HA GLY 67 -6.703 -6.992 3.604 537 HA3 GLY 67 1HA GLY 67 -8.316 -7.378 4.166 538 H LYS 68 H LYS 68 -9.051 -5.359 5.757 539 HA LYS 68 HA LYS 68 -10.139 -3.629 3.870 540 HB2 LYS 68 2HB LYS 68 -11.060 -2.372 5.779 541 HB3 LYS 68 1HB LYS 68 -11.197 -4.108 6.012 542 HG2 LYS 68 2HG LYS 68 -9.164 -4.031 7.484 543 HG3 LYS 68 1HG LYS 68 -9.171 -2.271 7.334 544 HD2 LYS 68 2HD LYS 68 -11.423 -2.200 8.367 545 HD3 LYS 68 1HD LYS 68 -11.413 -3.961 8.500 546 HE2 LYS 68 2HE LYS 68 -9.349 -3.749 9.952 547 HE3 LYS 68 1HE LYS 68 -9.601 -2.004 9.954 548 HZ1 LYS 68 3HZ LYS 68 -10.537 -3.064 11.902 549 HZ2 LYS 68 1HZ LYS 68 -11.527 -4.027 10.930 550 HZ3 LYS 68 2HZ LYS 68 -11.750 -2.355 10.966 551 H TYR 69 H TYR 69 -7.141 -3.123 5.676 552 HA TYR 69 HA TYR 69 -7.076 -0.256 5.130 553 HB2 TYR 69 2HB TYR 69 -5.158 -2.118 6.572 554 HB3 TYR 69 1HB TYR 69 -4.752 -0.431 6.238 555 HD1 TYR 69 HD2 TYR 69 -7.234 1.022 6.702 556 HD2 TYR 69 HD1 TYR 69 -5.617 -2.248 8.918 557 HE1 TYR 69 HE2 TYR 69 -8.490 1.738 8.662 558 HE2 TYR 69 HE1 TYR 69 -6.888 -1.526 10.879 559 HH TYR 69 HH TYR 69 -9.341 0.890 10.689 560 H PHE 70 H PHE 70 -5.365 -3.150 4.028 561 HA PHE 70 HA PHE 70 -3.798 -1.593 2.076 562 HB2 PHE 70 2HB PHE 70 -3.633 -4.461 3.037 563 HB3 PHE 70 1HB PHE 70 -2.750 -3.911 1.622 564 HD1 PHE 70 HD2 PHE 70 -3.032 -3.545 5.308 565 HD2 PHE 70 HD1 PHE 70 -0.763 -2.568 1.810 566 HE1 PHE 70 HE2 PHE 70 -1.162 -2.805 6.715 567 HE2 PHE 70 HE1 PHE 70 1.105 -1.829 3.225 568 HZ PHE 70 HZ PHE 70 0.907 -1.949 5.681 569 H LYS 71 H LYS 71 -6.767 -2.709 2.153 570 HA LYS 71 HA LYS 71 -7.309 -4.708 0.449 571 HB2 LYS 71 2HB LYS 71 -8.785 -3.259 2.054 572 HB3 LYS 71 1HB LYS 71 -9.108 -2.266 0.638 573 HG2 LYS 71 2HG LYS 71 -10.075 -4.196 -0.504 574 HG3 LYS 71 1HG LYS 71 -9.653 -5.224 0.874 575 HD2 LYS 71 2HD LYS 71 -12.064 -4.565 0.907 576 HD3 LYS 71 1HD LYS 71 -11.198 -3.989 2.330 577 HE2 LYS 71 2HE LYS 71 -12.713 -2.254 1.471 578 HE3 LYS 71 1HE LYS 71 -11.035 -1.731 1.300 579 HZ1 LYS 71 3HZ LYS 71 -11.125 -2.411 -1.021 580 HZ2 LYS 71 1HZ LYS 71 -12.296 -1.242 -0.675 581 HZ3 LYS 71 2HZ LYS 71 -12.751 -2.855 -0.844 582 H ASP 72 H ASP 72 -7.163 -1.318 -0.349 583 HA ASP 72 HA ASP 72 -6.949 -1.833 -3.237 584 HB2 ASP 72 2HB ASP 72 -8.823 0.156 -1.835 585 HB3 ASP 72 1HB ASP 72 -8.419 0.268 -3.537 586 H LEU 73 H LEU 73 -6.408 0.456 -4.254 587 HA LEU 73 HA LEU 73 -4.214 1.666 -2.809 588 HB2 LEU 73 2HB LEU 73 -4.127 1.510 -5.261 589 HB3 LEU 73 1HB LEU 73 -5.573 2.505 -5.390 590 HG LEU 73 HG LEU 73 -4.365 4.442 -4.446 591 HD11 LEU 73 1HD1 LEU 73 -2.835 3.313 -2.925 592 HD12 LEU 73 2HD1 LEU 73 -1.915 4.326 -4.030 593 HD13 LEU 73 3HD1 LEU 73 -1.966 2.584 -4.279 594 HD21 LEU 73 3HD2 LEU 73 -4.329 4.177 -6.883 595 HD22 LEU 73 1HD2 LEU 73 -2.877 3.177 -6.777 596 HD23 LEU 73 2HD2 LEU 73 -2.815 4.880 -6.321 597 H ASN 74 H ASN 74 -7.536 2.531 -3.696 598 HA ASN 74 HA ASN 74 -7.615 5.090 -2.474 599 HB2 ASN 74 2HB ASN 74 -10.099 4.859 -2.609 600 HB3 ASN 74 1HB ASN 74 -9.290 4.499 -4.119 601 HD21 ASN 74 1HD2 ASN 74 -9.372 2.435 -4.949 602 HD22 ASN 74 2HD2 ASN 74 -10.401 1.199 -4.307 603 H ALA 75 H ALA 75 -8.085 1.863 -1.228 604 HA ALA 75 HA ALA 75 -9.123 2.499 1.327 605 HB1 ALA 75 3HB ALA 75 -9.186 0.228 0.399 606 HB2 ALA 75 1HB ALA 75 -8.394 0.244 1.978 607 HB3 ALA 75 2HB ALA 75 -7.429 0.127 0.501 608 H ILE 76 H ILE 76 -5.780 1.895 0.227 609 HA ILE 76 HA ILE 76 -4.461 2.554 2.677 610 HB ILE 76 HB ILE 76 -3.410 2.431 -0.188 611 HG12 ILE 76 2HG1 ILE 76 -3.145 0.510 2.158 612 HG13 ILE 76 1HG1 ILE 76 -4.241 0.292 0.803 613 HG21 ILE 76 1HG2 ILE 76 -1.108 2.428 0.741 614 HG22 ILE 76 2HG2 ILE 76 -1.753 2.681 2.363 615 HG23 ILE 76 3HG2 ILE 76 -1.937 3.936 1.139 616 HD11 ILE 76 3HD1 ILE 76 -2.326 -1.128 0.638 617 HD12 ILE 76 1HD1 ILE 76 -1.240 0.262 0.685 618 HD13 ILE 76 2HD1 ILE 76 -2.344 0.037 -0.683 619 H SER 77 H SER 77 -5.598 4.473 -0.030 620 HA SER 77 HA SER 77 -4.115 6.830 0.510 621 HB2 SER 77 2HB SER 77 -5.290 6.391 -1.651 622 HB3 SER 77 1HB SER 77 -6.849 6.546 -0.837 623 HG SER 77 HG SER 77 -4.946 8.604 -0.685 624 H ARG 78 H ARG 78 -7.180 5.556 1.742 625 HA ARG 78 HA ARG 78 -7.777 7.856 3.398 626 HB2 ARG 78 2HB ARG 78 -8.912 5.032 3.473 627 HB3 ARG 78 1HB ARG 78 -9.529 6.387 4.412 628 HG2 ARG 78 2HG ARG 78 -9.529 6.192 1.385 629 HG3 ARG 78 1HG ARG 78 -10.923 5.951 2.438 630 HD2 ARG 78 2HD ARG 78 -10.783 8.291 3.188 631 HD3 ARG 78 1HD ARG 78 -9.354 8.540 2.179 632 HE ARG 78 HE ARG 78 -11.314 7.646 0.470 633 HH11 ARG 78 1HH1 ARG 78 -11.036 10.398 2.621 634 HH12 ARG 78 2HH1 ARG 78 -12.045 11.406 1.638 635 HH21 ARG 78 1HH2 ARG 78 -12.572 8.957 -0.819 636 HH22 ARG 78 2HH2 ARG 78 -12.926 10.584 -0.334 637 H THR 79 H THR 79 -6.285 4.688 3.841 638 HA THR 79 HA THR 79 -6.175 4.634 6.660 639 HB THR 79 HB THR 79 -4.387 3.181 4.653 640 HG1 THR 79 HG1 THR 79 -6.053 1.896 4.380 641 HG21 THR 79 3HG2 THR 79 -4.957 2.535 7.580 642 HG22 THR 79 1HG2 THR 79 -3.414 3.103 6.937 643 HG23 THR 79 2HG2 THR 79 -4.037 1.521 6.470 644 H VAL 80 H VAL 80 -3.705 5.511 4.265 645 HA VAL 80 HA VAL 80 -1.599 6.044 6.051 646 HB VAL 80 HB VAL 80 -1.423 5.607 3.530 647 HG11 VAL 80 1HG1 VAL 80 -2.052 8.565 3.257 648 HG12 VAL 80 2HG1 VAL 80 -3.078 7.234 2.715 649 HG13 VAL 80 3HG1 VAL 80 -1.501 7.492 1.965 650 HG21 VAL 80 3HG2 VAL 80 0.151 7.962 4.618 651 HG22 VAL 80 1HG2 VAL 80 0.605 6.972 3.228 652 HG23 VAL 80 2HG2 VAL 80 0.539 6.255 4.840 653 H GLU 81 H GLU 81 -4.220 8.025 4.798 654 HA GLU 81 HA GLU 81 -3.428 10.572 5.701 655 HB2 GLU 81 2HB GLU 81 -6.066 9.283 5.010 656 HB3 GLU 81 1HB GLU 81 -6.076 10.877 5.743 657 HG2 GLU 81 2HG GLU 81 -4.547 10.226 3.212 658 HG3 GLU 81 1HG GLU 81 -6.204 10.824 3.223 659 H GLN 82 H GLN 82 -5.582 8.149 7.236 660 HA GLN 82 HA GLN 82 -6.082 9.727 9.547 661 HB2 GLN 82 2HB GLN 82 -7.244 7.857 10.474 662 HB3 GLN 82 1HB GLN 82 -7.568 7.856 8.746 663 HG2 GLN 82 2HG GLN 82 -5.919 6.060 8.421 664 HG3 GLN 82 1HG GLN 82 -5.556 6.070 10.147 665 HE21 GLN 82 1HE2 GLN 82 -6.115 3.934 10.368 666 HE22 GLN 82 2HE2 GLN 82 -7.749 3.385 10.316 667 H LEU 83 H LEU 83 -3.645 7.316 8.766 668 HA LEU 83 HA LEU 83 -2.672 6.830 11.384 669 HB2 LEU 83 2HB LEU 83 -1.273 6.600 8.700 670 HB3 LEU 83 1HB LEU 83 -0.605 6.006 10.216 671 HG LEU 83 HG LEU 83 -3.185 5.002 8.961 672 HD11 LEU 83 1HD1 LEU 83 -1.243 4.407 7.609 673 HD12 LEU 83 2HD1 LEU 83 -1.930 2.989 8.399 674 HD13 LEU 83 3HD1 LEU 83 -0.448 3.716 9.027 675 HD21 LEU 83 3HD2 LEU 83 -3.047 3.196 10.641 676 HD22 LEU 83 1HD2 LEU 83 -3.223 4.778 11.400 677 HD23 LEU 83 2HD2 LEU 83 -1.648 3.982 11.374 678 H LYS 84 H LYS 84 -1.823 9.284 8.940 679 HA LYS 84 HA LYS 84 0.359 10.430 10.400 680 HB2 LYS 84 2HB LYS 84 -1.463 11.691 8.301 681 HB3 LYS 84 1HB LYS 84 -0.003 12.449 8.934 682 HG2 LYS 84 2HG LYS 84 1.337 10.571 8.063 683 HG3 LYS 84 1HG LYS 84 -0.123 9.840 7.410 684 HD2 LYS 84 2HD LYS 84 0.872 12.589 6.574 685 HD3 LYS 84 1HD LYS 84 1.331 11.104 5.744 686 HE2 LYS 84 2HE LYS 84 -0.463 12.025 4.472 687 HE3 LYS 84 1HE LYS 84 -1.169 10.686 5.378 688 HZ1 LYS 84 3HZ LYS 84 -2.143 12.203 6.904 689 HZ2 LYS 84 1HZ LYS 84 -2.513 12.752 5.351 690 HZ3 LYS 84 2HZ LYS 84 -1.309 13.511 6.260 691 H ALA 85 H ALA 85 -3.116 10.938 10.412 692 HA ALA 85 HA ALA 85 -3.192 13.210 12.127 693 HB1 ALA 85 3HB ALA 85 -5.600 12.711 12.296 694 HB2 ALA 85 1HB ALA 85 -5.336 11.132 11.551 695 HB3 ALA 85 2HB ALA 85 -5.053 12.605 10.622 696 H GLU 86 H GLU 86 -3.187 9.712 12.695 697 HA GLU 86 HA GLU 86 -3.893 9.910 15.514 698 HB2 GLU 86 2HB GLU 86 -3.188 7.494 13.788 699 HB3 GLU 86 1HB GLU 86 -3.756 7.405 15.452 700 HG2 GLU 86 2HG GLU 86 -5.912 8.315 14.841 701 HG3 GLU 86 1HG GLU 86 -5.356 8.646 13.202 702 H SER 87 H SER 87 -1.010 9.390 13.579 703 HA SER 87 HA SER 87 0.609 8.386 15.786 704 HB2 SER 87 2HB SER 87 0.944 7.491 13.486 705 HB3 SER 87 1HB SER 87 1.411 9.095 12.923 706 HG SER 87 HG SER 87 3.345 8.655 13.580 707 H ALA 88 H ALA 88 0.487 11.319 13.729 708 HA ALA 88 HA ALA 88 2.560 12.684 15.213 709 HB1 ALA 88 3HB ALA 88 0.604 13.769 13.151 710 HB2 ALA 88 1HB ALA 88 2.215 13.132 12.820 711 HB3 ALA 88 2HB ALA 88 2.033 14.608 13.767 712 H LEU 89 H LEU 89 2.156 14.797 16.208 713 HA LEU 89 HA LEU 89 0.027 14.689 18.168 714 HB2 LEU 89 2HB LEU 89 1.113 16.482 19.277 715 HB3 LEU 89 1HB LEU 89 2.371 15.393 18.730 716 HG LEU 89 HG LEU 89 1.664 18.013 17.315 717 HD11 LEU 89 1HD1 LEU 89 3.690 18.946 18.346 718 HD12 LEU 89 2HD1 LEU 89 3.898 17.465 19.284 719 HD13 LEU 89 3HD1 LEU 89 2.488 18.490 19.551 720 HD21 LEU 89 3HD2 LEU 89 3.832 17.757 16.165 721 HD22 LEU 89 1HD2 LEU 89 2.770 16.389 15.824 722 HD23 LEU 89 2HD2 LEU 89 4.092 16.210 16.978 723 H GLU 90 H GLU 90 -0.071 15.647 15.078 724 HA GLU 90 HA GLU 90 -0.913 18.230 14.823 725 HB2 GLU 90 2HB GLU 90 -0.193 16.565 13.058 726 HB3 GLU 90 1HB GLU 90 -1.767 15.783 13.210 727 HG2 GLU 90 2HG GLU 90 -1.696 17.209 11.281 728 HG3 GLU 90 1HG GLU 90 -2.848 17.832 12.454 729 H281 4EM 101 2H28 PYA 142 0.909 -11.292 7.759 730 H283 4EM 101 3H28 PYA 142 0.970 -10.802 9.451 731 H303 4EM 101 3H30 PYA 142 1.251 -14.925 8.398 732 H301 4EM 101 1H30 PYA 142 2.617 -13.827 8.120 733 H302 4EM 101 2H30 PYA 142 1.147 -13.676 7.147 734 H312 4EM 101 2H31 PYA 142 -0.834 -14.131 9.415 735 H313 4EM 101 3H31 PYA 142 -1.033 -12.424 9.805 736 H311 4EM 101 1H31 PYA 142 -0.946 -12.933 8.112 737 H32 4EM 101 H32 PYA 142 1.144 -14.265 10.851 738 H33 4EM 101 H33 PYA 142 3.214 -12.365 10.417 739 H36 4EM 101 H36 PYA 142 -0.731 -13.376 11.901 740 H373 4EM 101 3H37 PYA 142 -0.669 -12.007 14.106 741 H372 4EM 101 2H37 PYA 142 -0.658 -10.656 12.979 742 H382 4EM 101 2H38 PYA 142 -2.958 -11.048 13.707 743 H383 4EM 101 3H38 PYA 142 -2.843 -12.758 13.295 744 H41 4EM 101 H41 PYA 142 -1.430 -10.390 11.218 745 H423 4EM 101 3H42 PYA 142 -1.392 -10.296 8.980 746 H422 4EM 101 2H42 PYA 142 -2.771 -9.297 9.400 747 H433 4EM 101 3H43 PYA 142 -4.325 -10.964 8.713 748 H432 4EM 101 2H43 PYA 142 -3.086 -12.230 8.729 749 H44 4EM 101 H44 PYA 142 -2.524 -11.667 6.771 750 H49 4EM 101 H49 PYA 142 -0.862 -8.633 5.641 751 H51 4EM 101 H51 PYA 142 -0.261 -9.596 3.282 752 H50 4EM 101 H50 PYA 142 -2.070 -11.349 2.666 753 H48 4EM 101 H48 PYA 142 -3.862 -11.257 4.508
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