![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
643426 |
6k4i ![]() ![]() |
25689 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 14.890 -5.124 -1.146 2 HA MET 1 HA MET 1 14.098 -4.068 1.493 3 HB2 MET 1 HB2 MET 1 14.904 -2.246 0.094 4 HB3 MET 1 HB3 MET 1 13.779 -2.681 -1.191 5 HG2 MET 1 HG2 MET 1 11.865 -2.250 0.300 6 HG3 MET 1 HG3 MET 1 12.957 -1.977 1.659 7 HE1 MET 1 HE1 MET 1 11.352 1.522 1.123 8 HE2 MET 1 HE2 MET 1 10.589 -0.083 0.963 9 HE3 MET 1 HE3 MET 1 11.725 0.231 2.287 10 H GLN 2 H GLN 2 12.334 -5.271 2.183 11 HA GLN 2 HA GLN 2 10.189 -5.582 0.199 12 HB2 GLN 2 HB2 GLN 2 9.491 -7.666 1.163 13 HB3 GLN 2 HB3 GLN 2 11.051 -7.786 0.366 14 HG2 GLN 2 HG2 GLN 2 12.196 -8.108 2.408 15 HG3 GLN 2 HG3 GLN 2 10.865 -7.439 3.364 16 HE21 GLN 2 HE21 GLN 2 9.589 -10.662 3.985 17 HE22 GLN 2 HE22 GLN 2 10.076 -9.085 4.557 18 H ILE 3 H ILE 3 8.062 -5.685 1.208 19 HA ILE 3 HA ILE 3 7.869 -4.217 3.782 20 HB ILE 3 HB ILE 3 6.119 -2.762 2.831 21 HG12 ILE 3 HG12 ILE 3 6.991 -3.713 0.060 22 HG13 ILE 3 HG13 ILE 3 5.569 -4.332 0.888 23 HG21 ILE 3 HG21 ILE 3 7.619 -1.179 1.719 24 HG22 ILE 3 HG22 ILE 3 8.457 -1.984 3.053 25 HG23 ILE 3 HG23 ILE 3 8.792 -2.473 1.395 26 HD11 ILE 3 HD11 ILE 3 4.822 -2.682 -0.614 27 HD12 ILE 3 HD12 ILE 3 4.636 -2.021 1.020 28 HD13 ILE 3 HD13 ILE 3 5.984 -1.486 -0.023 29 H PHE 4 H PHE 4 5.490 -4.256 4.513 30 HA PHE 4 HA PHE 4 4.200 -6.773 3.710 31 HB2 PHE 4 HB2 PHE 4 4.246 -5.602 6.493 32 HB3 PHE 4 HB3 PHE 4 3.543 -7.130 6.020 33 HD1 PHE 4 HD1 PHE 4 5.061 -9.097 5.532 34 HD2 PHE 4 HD2 PHE 4 6.521 -5.357 7.129 35 HE1 PHE 4 HE1 PHE 4 7.088 -10.239 6.422 36 HE2 PHE 4 HE2 PHE 4 8.526 -6.507 7.997 37 HZ PHE 4 HZ PHE 4 8.824 -8.939 7.635 38 H VAL 5 H VAL 5 1.840 -6.646 3.784 39 HA VAL 5 HA VAL 5 0.703 -3.998 4.444 40 HB VAL 5 HB VAL 5 -0.024 -5.344 1.817 41 HG11 VAL 5 HG11 VAL 5 -1.749 -3.895 2.817 42 HG12 VAL 5 HG12 VAL 5 -0.579 -2.575 2.996 43 HG13 VAL 5 HG13 VAL 5 -1.059 -3.126 1.381 44 HG21 VAL 5 HG21 VAL 5 1.148 -3.504 0.644 45 HG22 VAL 5 HG22 VAL 5 1.837 -2.946 2.186 46 HG23 VAL 5 HG23 VAL 5 2.276 -4.519 1.526 47 H LYS 6 H LYS 6 -1.162 -4.178 5.547 48 HA LYS 6 HA LYS 6 -2.313 -6.900 5.895 49 HB2 LYS 6 HB2 LYS 6 -1.617 -5.548 7.936 50 HB3 LYS 6 HB3 LYS 6 -2.897 -4.400 7.524 51 HG2 LYS 6 HG2 LYS 6 -3.933 -5.818 9.102 52 HG3 LYS 6 HG3 LYS 6 -4.515 -6.422 7.573 53 HD2 LYS 6 HD2 LYS 6 -3.959 -8.368 8.777 54 HD3 LYS 6 HD3 LYS 6 -2.600 -8.158 7.683 55 HE2 LYS 6 HE2 LYS 6 -1.730 -8.794 9.781 56 HE3 LYS 6 HE3 LYS 6 -1.280 -7.103 9.505 57 HZ1 LYS 6 HZ1 LYS 6 -3.076 -6.452 10.980 58 HZ2 LYS 6 HZ2 LYS 6 -3.559 -8.019 11.147 59 HZ3 LYS 6 HZ3 LYS 6 -2.113 -7.546 11.756 60 H THR 7 H THR 7 -4.154 -7.406 4.729 61 HA THR 7 HA THR 7 -5.577 -5.291 3.264 62 HB THR 7 HB THR 7 -6.758 -7.245 2.277 63 HG1 THR 7 HG1 THR 7 -6.551 -9.190 3.117 64 HG21 THR 7 HG21 THR 7 -4.867 -8.356 1.155 65 HG22 THR 7 HG22 THR 7 -4.612 -6.607 1.226 66 HG23 THR 7 HG23 THR 7 -3.736 -7.685 2.338 67 H LEU 8 H LEU 8 -8.071 -5.419 3.263 68 HA LEU 8 HA LEU 8 -9.072 -5.183 5.920 69 HB2 LEU 8 HB2 LEU 8 -11.136 -4.616 4.999 70 HB3 LEU 8 HB3 LEU 8 -9.934 -3.855 4.034 71 HG LEU 8 HG LEU 8 -11.753 -6.204 3.366 72 HD11 LEU 8 HD11 LEU 8 -12.603 -3.891 3.092 73 HD12 LEU 8 HD12 LEU 8 -11.240 -3.505 2.028 74 HD13 LEU 8 HD13 LEU 8 -12.447 -4.687 1.518 75 HD21 LEU 8 HD21 LEU 8 -9.505 -5.282 1.546 76 HD22 LEU 8 HD22 LEU 8 -9.608 -6.874 2.345 77 HD23 LEU 8 HD23 LEU 8 -10.794 -6.412 1.131 78 H THR 9 H THR 9 -8.390 -8.045 4.293 79 HA THR 9 HA THR 9 -10.707 -9.534 5.397 80 HB THR 9 HB THR 9 -9.545 -11.448 4.211 81 HG1 THR 9 HG1 THR 9 -8.022 -11.091 2.807 82 HG21 THR 9 HG21 THR 9 -10.428 -9.118 2.463 83 HG22 THR 9 HG22 THR 9 -10.353 -10.828 1.984 84 HG23 THR 9 HG23 THR 9 -11.485 -10.317 3.247 85 H GLY 10 H GLY 10 -7.526 -8.464 6.231 86 HA2 GLY 10 HA2 GLY 10 -6.596 -8.769 8.336 87 HA3 GLY 10 HA3 GLY 10 -7.459 -10.300 8.533 88 H LYS 11 H LYS 11 -6.088 -10.134 5.376 89 HA LYS 11 HA LYS 11 -4.085 -12.151 6.130 90 HB2 LYS 11 HB2 LYS 11 -5.267 -10.982 3.609 91 HB3 LYS 11 HB3 LYS 11 -3.603 -11.455 3.456 92 HG2 LYS 11 HG2 LYS 11 -5.766 -13.316 4.478 93 HG3 LYS 11 HG3 LYS 11 -5.396 -13.127 2.781 94 HD2 LYS 11 HD2 LYS 11 -3.337 -14.001 4.860 95 HD3 LYS 11 HD3 LYS 11 -4.258 -15.104 3.851 96 HE2 LYS 11 HE2 LYS 11 -2.243 -13.042 2.865 97 HE3 LYS 11 HE3 LYS 11 -2.045 -14.800 2.923 98 HZ1 LYS 11 HZ1 LYS 11 -3.904 -13.285 1.178 99 HZ2 LYS 11 HZ2 LYS 11 -2.642 -14.197 0.725 100 HZ3 LYS 11 HZ3 LYS 11 -3.976 -14.916 1.357 101 H THR 12 H THR 12 -1.810 -11.873 5.502 102 HA THR 12 HA THR 12 -0.870 -9.064 5.531 103 HB THR 12 HB THR 12 0.567 -11.543 6.564 104 HG1 THR 12 HG1 THR 12 0.039 -10.924 8.553 105 HG21 THR 12 HG21 THR 12 2.055 -9.873 7.641 106 HG22 THR 12 HG22 THR 12 2.061 -9.687 5.887 107 HG23 THR 12 HG23 THR 12 1.128 -8.555 6.897 108 H ILE 13 H ILE 13 0.519 -8.571 3.893 109 HA ILE 13 HA ILE 13 1.073 -10.624 1.799 110 HB ILE 13 HB ILE 13 0.740 -7.602 1.590 111 HG12 ILE 13 HG12 ILE 13 -1.451 -8.422 2.144 112 HG13 ILE 13 HG13 ILE 13 -1.415 -7.960 0.462 113 HG21 ILE 13 HG21 ILE 13 2.140 -8.450 -0.198 114 HG22 ILE 13 HG22 ILE 13 0.927 -9.679 -0.622 115 HG23 ILE 13 HG23 ILE 13 0.591 -7.944 -0.831 116 HD11 ILE 13 HD11 ILE 13 -2.697 -10.001 0.735 117 HD12 ILE 13 HD12 ILE 13 -1.226 -10.386 -0.171 118 HD13 ILE 13 HD13 ILE 13 -1.351 -10.813 1.545 119 H THR 14 H THR 14 3.180 -10.346 0.794 120 HA THR 14 HA THR 14 5.220 -8.708 2.157 121 HB THR 14 HB THR 14 5.386 -11.678 1.515 122 HG1 THR 14 HG1 THR 14 4.540 -11.355 3.509 123 HG21 THR 14 HG21 THR 14 7.566 -9.759 2.453 124 HG22 THR 14 HG22 THR 14 7.717 -11.533 2.322 125 HG23 THR 14 HG23 THR 14 7.495 -10.567 0.869 126 H LEU 15 H LEU 15 6.292 -7.518 0.573 127 HA LEU 15 HA LEU 15 6.292 -8.429 -2.232 128 HB2 LEU 15 HB2 LEU 15 5.133 -5.826 -1.146 129 HB3 LEU 15 HB3 LEU 15 5.789 -5.909 -2.764 130 HG LEU 15 HG LEU 15 3.525 -7.698 -1.812 131 HD11 LEU 15 HD11 LEU 15 2.139 -6.141 -3.215 132 HD12 LEU 15 HD12 LEU 15 2.806 -5.402 -1.754 133 HD13 LEU 15 HD13 LEU 15 3.551 -5.061 -3.321 134 HD21 LEU 15 HD21 LEU 15 4.914 -7.255 -4.479 135 HD22 LEU 15 HD22 LEU 15 4.654 -8.777 -3.625 136 HD23 LEU 15 HD23 LEU 15 3.301 -7.944 -4.391 137 H GLU 16 H GLU 16 7.919 -7.553 -3.454 138 HA GLU 16 HA GLU 16 10.184 -6.327 -2.028 139 HB2 GLU 16 HB2 GLU 16 10.648 -8.378 -3.147 140 HB3 GLU 16 HB3 GLU 16 9.928 -7.822 -4.669 141 HG2 GLU 16 HG2 GLU 16 11.724 -6.391 -5.156 142 HG3 GLU 16 HG3 GLU 16 12.172 -6.211 -3.458 143 H VAL 17 H VAL 17 10.482 -4.218 -2.255 144 HA VAL 17 HA VAL 17 9.534 -2.732 -4.632 145 HB VAL 17 HB VAL 17 8.596 -0.981 -3.166 146 HG11 VAL 17 HG11 VAL 17 7.098 -2.780 -4.006 147 HG12 VAL 17 HG12 VAL 17 7.321 -3.669 -2.486 148 HG13 VAL 17 HG13 VAL 17 6.550 -2.072 -2.478 149 HG21 VAL 17 HG21 VAL 17 9.926 -1.334 -1.131 150 HG22 VAL 17 HG22 VAL 17 8.199 -1.407 -0.773 151 HG23 VAL 17 HG23 VAL 17 9.140 -2.907 -0.864 152 H GLU 18 H GLU 18 10.453 -0.199 -3.872 153 HA GLU 18 HA GLU 18 13.174 -0.520 -2.847 154 HB2 GLU 18 HB2 GLU 18 14.169 0.676 -4.759 155 HB3 GLU 18 HB3 GLU 18 13.510 -0.883 -5.243 156 HG2 GLU 18 HG2 GLU 18 11.552 0.193 -6.230 157 HG3 GLU 18 HG3 GLU 18 12.070 1.766 -5.593 158 HA PRO 19 HA PRO 19 12.170 3.330 -0.980 159 HB2 PRO 19 HB2 PRO 19 14.746 4.542 -1.975 160 HB3 PRO 19 HB3 PRO 19 14.121 4.460 -0.304 161 HG2 PRO 19 HG2 PRO 19 16.076 2.837 -1.070 162 HG3 PRO 19 HG3 PRO 19 14.736 2.174 -0.095 163 HD2 PRO 19 HD2 PRO 19 15.099 2.049 -3.111 164 HD3 PRO 19 HD3 PRO 19 14.701 0.720 -1.981 165 H SER 20 H SER 20 13.037 3.331 -4.389 166 HA SER 20 HA SER 20 11.796 5.996 -4.808 167 HB2 SER 20 HB2 SER 20 13.672 4.363 -6.562 168 HB3 SER 20 HB3 SER 20 13.299 6.064 -6.722 169 HG SER 20 HG SER 20 14.677 6.555 -5.285 170 H ASP 21 H ASP 21 10.363 3.344 -4.464 171 HA ASP 21 HA ASP 21 9.264 2.698 -7.111 172 HB2 ASP 21 HB2 ASP 21 9.864 1.108 -5.111 173 HB3 ASP 21 HB3 ASP 21 8.367 1.651 -4.395 174 H THR 22 H THR 22 7.204 3.585 -7.797 175 HA THR 22 HA THR 22 6.118 5.705 -6.097 176 HB THR 22 HB THR 22 4.358 5.777 -7.959 177 HG1 THR 22 HG1 THR 22 5.988 4.627 -9.781 178 HG21 THR 22 HG21 THR 22 7.248 6.325 -8.707 179 HG22 THR 22 HG22 THR 22 5.812 6.953 -9.545 180 HG23 THR 22 HG23 THR 22 6.130 7.418 -7.870 181 H ILE 23 H ILE 23 3.940 5.811 -5.375 182 HA ILE 23 HA ILE 23 3.042 3.380 -4.160 183 HB ILE 23 HB ILE 23 1.483 5.925 -4.687 184 HG12 ILE 23 HG12 ILE 23 3.408 6.475 -3.357 185 HG13 ILE 23 HG13 ILE 23 1.986 6.478 -2.325 186 HG21 ILE 23 HG21 ILE 23 -0.132 4.227 -4.170 187 HG22 ILE 23 HG22 ILE 23 0.839 3.618 -2.818 188 HG23 ILE 23 HG23 ILE 23 0.068 5.220 -2.724 189 HD11 ILE 23 HD11 ILE 23 4.093 4.290 -2.421 190 HD12 ILE 23 HD12 ILE 23 3.861 5.491 -1.146 191 HD13 ILE 23 HD13 ILE 23 2.618 4.264 -1.420 192 H GLU 24 H GLU 24 2.313 4.779 -7.339 193 HA GLU 24 HA GLU 24 0.008 3.246 -7.925 194 HB2 GLU 24 HB2 GLU 24 0.849 5.218 -9.178 195 HB3 GLU 24 HB3 GLU 24 2.162 4.251 -9.842 196 HG2 GLU 24 HG2 GLU 24 0.652 2.916 -11.137 197 HG3 GLU 24 HG3 GLU 24 -0.750 3.431 -10.187 198 H ASN 25 H ASN 25 3.461 2.439 -8.172 199 HA ASN 25 HA ASN 25 3.063 -0.084 -9.571 200 HB2 ASN 25 HB2 ASN 25 5.360 1.396 -8.298 201 HB3 ASN 25 HB3 ASN 25 5.501 -0.356 -8.431 202 HD21 ASN 25 HD21 ASN 25 5.721 1.894 -11.803 203 HD22 ASN 25 HD22 ASN 25 5.616 2.622 -10.198 204 H VAL 26 H VAL 26 3.930 0.859 -6.218 205 HA VAL 26 HA VAL 26 3.815 -1.730 -5.135 206 HB VAL 26 HB VAL 26 3.302 0.948 -3.779 207 HG11 VAL 26 HG11 VAL 26 2.512 -0.861 -2.323 208 HG12 VAL 26 HG12 VAL 26 4.007 -1.775 -2.601 209 HG13 VAL 26 HG13 VAL 26 4.041 -0.233 -1.706 210 HG21 VAL 26 HG21 VAL 26 5.495 0.946 -4.811 211 HG22 VAL 26 HG22 VAL 26 5.767 0.555 -3.118 212 HG23 VAL 26 HG23 VAL 26 5.800 -0.722 -4.341 213 H LYS 27 H LYS 27 1.135 0.570 -5.682 214 HA LYS 27 HA LYS 27 -0.764 -1.131 -4.343 215 HB2 LYS 27 HB2 LYS 27 -0.798 1.446 -4.812 216 HB3 LYS 27 HB3 LYS 27 -1.551 0.975 -6.344 217 HG2 LYS 27 HG2 LYS 27 -3.323 -0.208 -4.928 218 HG3 LYS 27 HG3 LYS 27 -2.453 0.319 -3.484 219 HD2 LYS 27 HD2 LYS 27 -4.256 1.862 -3.806 220 HD3 LYS 27 HD3 LYS 27 -2.758 2.712 -4.246 221 HE2 LYS 27 HE2 LYS 27 -3.246 2.011 -6.673 222 HE3 LYS 27 HE3 LYS 27 -4.817 1.443 -6.105 223 HZ1 LYS 27 HZ1 LYS 27 -5.206 3.563 -6.823 224 HZ2 LYS 27 HZ2 LYS 27 -5.005 3.827 -5.209 225 HZ3 LYS 27 HZ3 LYS 27 -3.781 4.181 -6.269 226 H ALA 28 H ALA 28 0.710 -1.327 -7.500 227 HA ALA 28 HA ALA 28 -1.526 -2.813 -8.723 228 HB1 ALA 28 HB1 ALA 28 1.365 -2.519 -9.689 229 HB2 ALA 28 HB2 ALA 28 -0.032 -3.092 -10.611 230 HB3 ALA 28 HB3 ALA 28 0.061 -1.393 -10.110 231 H LYS 29 H LYS 29 1.745 -3.388 -7.409 232 HA LYS 29 HA LYS 29 1.995 -6.132 -7.707 233 HB2 LYS 29 HB2 LYS 29 2.838 -4.387 -5.364 234 HB3 LYS 29 HB3 LYS 29 3.407 -6.031 -5.649 235 HG2 LYS 29 HG2 LYS 29 4.555 -5.387 -7.672 236 HG3 LYS 29 HG3 LYS 29 3.913 -3.749 -7.578 237 HD2 LYS 29 HD2 LYS 29 5.019 -3.484 -5.329 238 HD3 LYS 29 HD3 LYS 29 5.792 -5.045 -5.541 239 HE2 LYS 29 HE2 LYS 29 6.140 -2.975 -7.719 240 HE3 LYS 29 HE3 LYS 29 6.953 -2.684 -6.182 241 HZ1 LYS 29 HZ1 LYS 29 8.031 -4.831 -6.386 242 HZ2 LYS 29 HZ2 LYS 29 7.328 -5.063 -7.880 243 HZ3 LYS 29 HZ3 LYS 29 8.380 -3.829 -7.629 244 H ILE 30 H ILE 30 0.129 -4.484 -5.152 245 HA ILE 30 HA ILE 30 -0.430 -6.819 -3.616 246 HB ILE 30 HB ILE 30 -2.170 -5.540 -2.503 247 HG12 ILE 30 HG12 ILE 30 -1.258 -3.266 -4.271 248 HG13 ILE 30 HG13 ILE 30 -2.808 -4.104 -4.465 249 HG21 ILE 30 HG21 ILE 30 -0.625 -4.055 -1.338 250 HG22 ILE 30 HG22 ILE 30 0.186 -5.564 -1.746 251 HG23 ILE 30 HG23 ILE 30 0.507 -4.097 -2.703 252 HD11 ILE 30 HD11 ILE 30 -3.412 -3.357 -2.135 253 HD12 ILE 30 HD12 ILE 30 -1.943 -2.345 -2.148 254 HD13 ILE 30 HD13 ILE 30 -3.239 -2.060 -3.322 255 H GLN 31 H GLN 31 -1.923 -5.514 -6.577 256 HA GLN 31 HA GLN 31 -4.328 -7.079 -6.299 257 HB2 GLN 31 HB2 GLN 31 -3.148 -6.043 -8.900 258 HB3 GLN 31 HB3 GLN 31 -4.832 -6.374 -8.499 259 HG2 GLN 31 HG2 GLN 31 -4.681 -4.441 -6.811 260 HG3 GLN 31 HG3 GLN 31 -3.100 -4.090 -7.503 261 HE21 GLN 31 HE21 GLN 31 -6.471 -3.534 -9.844 262 HE22 GLN 31 HE22 GLN 31 -6.532 -4.305 -8.245 263 H ASP 32 H ASP 32 -1.030 -7.667 -7.384 264 HA ASP 32 HA ASP 32 -1.691 -9.990 -9.034 265 HB2 ASP 32 HB2 ASP 32 0.366 -9.323 -9.694 266 HB3 ASP 32 HB3 ASP 32 0.780 -8.608 -8.151 267 H LYS 33 H LYS 33 -0.653 -9.486 -5.578 268 HA LYS 33 HA LYS 33 -1.047 -12.422 -5.282 269 HB2 LYS 33 HB2 LYS 33 -0.065 -10.705 -3.044 270 HB3 LYS 33 HB3 LYS 33 -0.141 -12.440 -3.140 271 HG2 LYS 33 HG2 LYS 33 1.448 -12.446 -5.072 272 HG3 LYS 33 HG3 LYS 33 1.650 -10.701 -4.883 273 HD2 LYS 33 HD2 LYS 33 2.377 -11.137 -2.479 274 HD3 LYS 33 HD3 LYS 33 2.316 -12.868 -2.855 275 HE2 LYS 33 HE2 LYS 33 4.021 -12.601 -4.596 276 HE3 LYS 33 HE3 LYS 33 4.084 -10.861 -4.304 277 HZ1 LYS 33 HZ1 LYS 33 4.817 -11.421 -1.996 278 HZ2 LYS 33 HZ2 LYS 33 4.911 -13.018 -2.455 279 HZ3 LYS 33 HZ3 LYS 33 5.867 -11.883 -3.146 280 H GLU 34 H GLU 34 -3.229 -9.723 -4.775 281 HA GLU 34 HA GLU 34 -5.024 -11.677 -3.508 282 HB2 GLU 34 HB2 GLU 34 -3.787 -10.026 -1.797 283 HB3 GLU 34 HB3 GLU 34 -4.945 -8.857 -2.419 284 HG2 GLU 34 HG2 GLU 34 -5.903 -9.804 -0.448 285 HG3 GLU 34 HG3 GLU 34 -6.780 -10.538 -1.790 286 H GLY 35 H GLY 35 -7.275 -11.171 -4.066 287 HA2 GLY 35 HA2 GLY 35 -7.458 -9.737 -6.607 288 HA3 GLY 35 HA3 GLY 35 -8.728 -10.660 -5.807 289 H ILE 36 H ILE 36 -7.071 -7.535 -5.966 290 HA ILE 36 HA ILE 36 -9.473 -6.237 -4.816 291 HB ILE 36 HB ILE 36 -7.925 -4.646 -3.619 292 HG12 ILE 36 HG12 ILE 36 -5.958 -6.987 -3.792 293 HG13 ILE 36 HG13 ILE 36 -5.745 -5.430 -4.585 294 HG21 ILE 36 HG21 ILE 36 -8.100 -7.501 -2.555 295 HG22 ILE 36 HG22 ILE 36 -8.077 -5.999 -1.619 296 HG23 ILE 36 HG23 ILE 36 -9.470 -6.370 -2.614 297 HD11 ILE 36 HD11 ILE 36 -5.801 -5.940 -1.593 298 HD12 ILE 36 HD12 ILE 36 -4.431 -5.468 -2.591 299 HD13 ILE 36 HD13 ILE 36 -5.764 -4.319 -2.340 300 HA PRO 37 HA PRO 37 -8.637 -4.003 -8.718 301 HB2 PRO 37 HB2 PRO 37 -11.267 -2.725 -8.137 302 HB3 PRO 37 HB3 PRO 37 -10.775 -3.657 -9.576 303 HG2 PRO 37 HG2 PRO 37 -12.538 -4.645 -7.734 304 HG3 PRO 37 HG3 PRO 37 -11.338 -5.701 -8.551 305 HD2 PRO 37 HD2 PRO 37 -11.124 -4.380 -5.823 306 HD3 PRO 37 HD3 PRO 37 -10.817 -6.076 -6.292 307 HA PRO 38 HA PRO 38 -7.759 0.020 -6.871 308 HB2 PRO 38 HB2 PRO 38 -7.633 1.773 -8.909 309 HB3 PRO 38 HB3 PRO 38 -6.579 0.328 -8.913 310 HG2 PRO 38 HG2 PRO 38 -9.279 0.654 -10.295 311 HG3 PRO 38 HG3 PRO 38 -7.727 0.157 -11.018 312 HD2 PRO 38 HD2 PRO 38 -9.594 -1.656 -10.120 313 HD3 PRO 38 HD3 PRO 38 -7.839 -1.980 -10.028 314 H ASP 39 H ASP 39 -10.290 -0.790 -6.308 315 HA ASP 39 HA ASP 39 -11.905 1.646 -6.164 316 HB2 ASP 39 HB2 ASP 39 -12.760 0.511 -8.166 317 HB3 ASP 39 HB3 ASP 39 -12.924 -1.008 -7.262 318 H GLN 40 H GLN 40 -12.836 1.714 -4.265 319 HA GLN 40 HA GLN 40 -13.107 1.476 -2.030 320 HB2 GLN 40 HB2 GLN 40 -13.525 -1.495 -2.577 321 HB3 GLN 40 HB3 GLN 40 -14.168 -0.550 -1.254 322 HG2 GLN 40 HG2 GLN 40 -15.008 -0.424 -4.175 323 HG3 GLN 40 HG3 GLN 40 -15.902 -1.135 -2.843 324 HE21 GLN 40 HE21 GLN 40 -16.410 2.802 -3.566 325 HE22 GLN 40 HE22 GLN 40 -15.410 1.794 -4.647 326 H ASN 41 H ASN 41 -10.480 1.566 -2.916 327 HA ASN 41 HA ASN 41 -9.138 0.169 -0.789 328 HB2 ASN 41 HB2 ASN 41 -8.688 -0.529 -3.702 329 HB3 ASN 41 HB3 ASN 41 -7.331 -0.591 -2.573 330 HD21 ASN 41 HD21 ASN 41 -10.201 -3.511 -2.403 331 HD22 ASN 41 HD22 ASN 41 -10.253 -2.237 -3.595 332 H ARG 42 H ARG 42 -7.378 1.323 -0.035 333 HA ARG 42 HA ARG 42 -5.913 3.243 -1.668 334 HB2 ARG 42 HB2 ARG 42 -7.823 4.616 -0.951 335 HB3 ARG 42 HB3 ARG 42 -7.535 4.183 0.747 336 HG2 ARG 42 HG2 ARG 42 -5.358 5.321 0.687 337 HG3 ARG 42 HG3 ARG 42 -5.521 5.644 -1.043 338 HD2 ARG 42 HD2 ARG 42 -7.469 6.677 1.062 339 HD3 ARG 42 HD3 ARG 42 -6.050 7.579 0.537 340 HE ARG 42 HE ARG 42 -8.539 7.108 -0.974 341 HH11 ARG 42 HH11 ARG 42 -5.127 8.119 -1.323 342 HH12 ARG 42 HH12 ARG 42 -5.504 9.173 -2.651 343 HH21 ARG 42 HH21 ARG 42 -8.960 8.518 -2.695 344 HH22 ARG 42 HH22 ARG 42 -7.694 9.464 -3.392 345 H LEU 43 H LEU 43 -3.828 3.296 -0.881 346 HA LEU 43 HA LEU 43 -3.181 1.458 1.306 347 HB2 LEU 43 HB2 LEU 43 -2.066 1.554 -0.986 348 HB3 LEU 43 HB3 LEU 43 -1.397 3.116 -0.521 349 HG LEU 43 HG LEU 43 -0.219 1.959 1.395 350 HD11 LEU 43 HD11 LEU 43 -1.615 -0.081 1.600 351 HD12 LEU 43 HD12 LEU 43 -1.107 -0.589 -0.024 352 HD13 LEU 43 HD13 LEU 43 0.074 -0.488 1.292 353 HD21 LEU 43 HD21 LEU 43 1.492 0.909 -0.124 354 HD22 LEU 43 HD22 LEU 43 0.326 0.984 -1.456 355 HD23 LEU 43 HD23 LEU 43 0.940 2.472 -0.710 356 H ILE 44 H ILE 44 -2.355 2.050 3.308 357 HA ILE 44 HA ILE 44 -1.850 4.919 3.902 358 HB ILE 44 HB ILE 44 -3.307 2.983 5.724 359 HG12 ILE 44 HG12 ILE 44 -4.804 3.178 3.797 360 HG13 ILE 44 HG13 ILE 44 -5.453 3.801 5.290 361 HG21 ILE 44 HG21 ILE 44 -4.134 5.052 6.874 362 HG22 ILE 44 HG22 ILE 44 -2.364 4.893 6.893 363 HG23 ILE 44 HG23 ILE 44 -3.156 6.013 5.778 364 HD11 ILE 44 HD11 ILE 44 -6.043 5.190 3.314 365 HD12 ILE 44 HD12 ILE 44 -5.188 6.101 4.564 366 HD13 ILE 44 HD13 ILE 44 -4.336 5.584 3.092 367 H PHE 45 H PHE 45 -0.193 5.184 5.575 368 HA PHE 45 HA PHE 45 0.987 2.706 6.737 369 HB2 PHE 45 HB2 PHE 45 2.388 3.277 4.784 370 HB3 PHE 45 HB3 PHE 45 2.530 4.933 5.348 371 HD1 PHE 45 HD1 PHE 45 2.939 1.520 7.015 372 HD2 PHE 45 HD2 PHE 45 4.644 5.420 6.247 373 HE1 PHE 45 HE1 PHE 45 4.891 0.940 8.389 374 HE2 PHE 45 HE2 PHE 45 6.624 4.800 7.581 375 HZ PHE 45 HZ PHE 45 6.761 2.561 8.663 376 H ALA 46 H ALA 46 1.014 3.013 8.963 377 HA ALA 46 HA ALA 46 0.817 4.062 10.978 378 HB1 ALA 46 HB1 ALA 46 3.227 4.517 10.369 379 HB2 ALA 46 HB2 ALA 46 2.724 6.109 9.781 380 HB3 ALA 46 HB3 ALA 46 2.515 5.695 11.490 381 H GLY 47 H GLY 47 -1.238 4.725 9.088 382 HA2 GLY 47 HA2 GLY 47 -3.148 6.045 9.198 383 HA3 GLY 47 HA3 GLY 47 -2.360 7.089 10.386 384 H LYS 48 H LYS 48 -0.100 7.052 7.942 385 HA LYS 48 HA LYS 48 -0.966 9.629 6.881 386 HB2 LYS 48 HB2 LYS 48 1.473 8.812 7.414 387 HB3 LYS 48 HB3 LYS 48 1.333 7.822 5.975 388 HG2 LYS 48 HG2 LYS 48 2.230 9.561 4.903 389 HG3 LYS 48 HG3 LYS 48 0.606 10.252 4.916 390 HD2 LYS 48 HD2 LYS 48 2.802 10.731 6.981 391 HD3 LYS 48 HD3 LYS 48 2.376 11.835 5.676 392 HE2 LYS 48 HE2 LYS 48 0.021 11.943 6.648 393 HE3 LYS 48 HE3 LYS 48 0.623 11.013 8.034 394 HZ1 LYS 48 HZ1 LYS 48 1.487 13.707 7.204 395 HZ2 LYS 48 HZ2 LYS 48 0.664 13.298 8.573 396 HZ3 LYS 48 HZ3 LYS 48 2.229 12.839 8.389 397 H GLN 49 H GLN 49 -2.389 9.712 5.165 398 HA GLN 49 HA GLN 49 -3.107 7.276 3.753 399 HB2 GLN 49 HB2 GLN 49 -3.952 10.101 3.009 400 HB3 GLN 49 HB3 GLN 49 -4.744 8.580 2.639 401 HG2 GLN 49 HG2 GLN 49 -6.100 9.473 4.299 402 HG3 GLN 49 HG3 GLN 49 -5.103 8.328 5.201 403 HE21 GLN 49 HE21 GLN 49 -5.167 11.348 7.303 404 HE22 GLN 49 HE22 GLN 49 -6.093 9.884 6.923 405 H LEU 50 H LEU 50 -2.297 6.634 1.759 406 HA LEU 50 HA LEU 50 -0.276 8.394 0.503 407 HB2 LEU 50 HB2 LEU 50 -0.466 5.402 0.169 408 HB3 LEU 50 HB3 LEU 50 0.894 6.460 -0.157 409 HG LEU 50 HG LEU 50 -0.134 5.636 2.596 410 HD11 LEU 50 HD11 LEU 50 2.404 4.882 1.093 411 HD12 LEU 50 HD12 LEU 50 1.956 4.360 2.730 412 HD13 LEU 50 HD13 LEU 50 0.996 3.845 1.337 413 HD21 LEU 50 HD21 LEU 50 0.905 7.921 2.652 414 HD22 LEU 50 HD22 LEU 50 1.849 6.711 3.533 415 HD23 LEU 50 HD23 LEU 50 2.356 7.224 1.912 416 H GLU 51 H GLU 51 -0.106 8.226 -1.810 417 HA GLU 51 HA GLU 51 -2.168 7.030 -3.396 418 HB2 GLU 51 HB2 GLU 51 -3.057 9.080 -4.333 419 HB3 GLU 51 HB3 GLU 51 -3.312 9.092 -2.587 420 HG2 GLU 51 HG2 GLU 51 -1.122 10.489 -2.464 421 HG3 GLU 51 HG3 GLU 51 -1.323 10.720 -4.201 422 H ASP 52 H ASP 52 -1.729 7.801 -5.734 423 HA ASP 52 HA ASP 52 1.014 7.361 -6.318 424 HB2 ASP 52 HB2 ASP 52 0.349 7.343 -8.626 425 HB3 ASP 52 HB3 ASP 52 -0.761 6.391 -7.659 426 H GLY 53 H GLY 53 2.253 8.534 -7.830 427 HA2 GLY 53 HA2 GLY 53 2.980 10.494 -8.892 428 HA3 GLY 53 HA3 GLY 53 2.078 11.496 -7.732 429 H ARG 54 H ARG 54 2.993 9.617 -5.509 430 HA ARG 54 HA ARG 54 5.795 10.664 -5.212 431 HB2 ARG 54 HB2 ARG 54 3.584 10.137 -3.231 432 HB3 ARG 54 HB3 ARG 54 5.276 10.247 -2.718 433 HG2 ARG 54 HG2 ARG 54 5.379 12.532 -3.808 434 HG3 ARG 54 HG3 ARG 54 3.625 12.374 -4.105 435 HD2 ARG 54 HD2 ARG 54 3.652 11.743 -1.483 436 HD3 ARG 54 HD3 ARG 54 5.136 12.705 -1.523 437 HE ARG 54 HE ARG 54 3.148 14.171 -2.866 438 HH11 ARG 54 HH11 ARG 54 4.219 13.235 0.342 439 HH12 ARG 54 HH12 ARG 54 3.316 14.365 1.236 440 HH21 ARG 54 HH21 ARG 54 1.650 15.572 -1.750 441 HH22 ARG 54 HH22 ARG 54 1.743 15.746 -0.017 442 H THR 55 H THR 55 7.157 9.375 -3.773 443 HA THR 55 HA THR 55 6.913 6.482 -4.319 444 HB THR 55 HB THR 55 9.375 6.490 -4.460 445 HG1 THR 55 HG1 THR 55 9.096 9.314 -4.064 446 HG21 THR 55 HG21 THR 55 9.610 7.575 -6.637 447 HG22 THR 55 HG22 THR 55 8.084 6.730 -6.523 448 HG23 THR 55 HG23 THR 55 8.131 8.507 -6.385 449 H LEU 56 H LEU 56 8.321 5.176 -2.813 450 HA LEU 56 HA LEU 56 7.339 5.366 -0.197 451 HB2 LEU 56 HB2 LEU 56 9.553 3.812 -1.506 452 HB3 LEU 56 HB3 LEU 56 9.590 3.942 0.252 453 HG LEU 56 HG LEU 56 7.232 3.132 0.372 454 HD11 LEU 56 HD11 LEU 56 7.574 2.555 -2.583 455 HD12 LEU 56 HD12 LEU 56 6.265 1.960 -1.543 456 HD13 LEU 56 HD13 LEU 56 6.416 3.690 -1.871 457 HD21 LEU 56 HD21 LEU 56 9.310 1.354 -0.942 458 HD22 LEU 56 HD22 LEU 56 9.019 1.611 0.802 459 HD23 LEU 56 HD23 LEU 56 7.822 0.758 -0.194 460 H SER 57 H SER 57 10.473 6.675 -1.401 461 HA SER 57 HA SER 57 11.372 7.444 1.215 462 HB2 SER 57 HB2 SER 57 12.145 8.498 -1.535 463 HB3 SER 57 HB3 SER 57 12.997 8.844 -0.013 464 HG SER 57 HG SER 57 12.700 6.434 -1.420 465 H ASP 58 H ASP 58 9.262 9.131 -1.135 466 HA ASP 58 HA ASP 58 9.436 11.699 0.095 467 HB2 ASP 58 HB2 ASP 58 7.073 10.483 -1.373 468 HB3 ASP 58 HB3 ASP 58 7.313 12.193 -1.007 469 H TYR 59 H TYR 59 7.290 8.910 0.544 470 HA TYR 59 HA TYR 59 5.895 10.082 2.825 471 HB2 TYR 59 HB2 TYR 59 5.810 7.362 1.492 472 HB3 TYR 59 HB3 TYR 59 4.816 7.797 2.878 473 HD1 TYR 59 HD1 TYR 59 3.457 10.114 2.614 474 HD2 TYR 59 HD2 TYR 59 4.820 7.608 -0.626 475 HE1 TYR 59 HE1 TYR 59 1.610 10.949 1.203 476 HE2 TYR 59 HE2 TYR 59 2.966 8.418 -2.029 477 HH TYR 59 HH TYR 59 1.175 9.838 -2.206 478 H ASN 60 H ASN 60 8.961 8.962 2.615 479 HA ASN 60 HA ASN 60 10.535 8.154 3.969 480 HB2 ASN 60 HB2 ASN 60 9.694 10.169 5.191 481 HB3 ASN 60 HB3 ASN 60 8.726 9.089 6.209 482 HD21 ASN 60 HD21 ASN 60 11.711 9.784 8.192 483 HD22 ASN 60 HD22 ASN 60 10.241 10.554 7.585 484 H ILE 61 H ILE 61 9.013 6.136 3.026 485 HA ILE 61 HA ILE 61 8.415 4.331 5.294 486 HB ILE 61 HB ILE 61 7.972 3.851 2.334 487 HG12 ILE 61 HG12 ILE 61 6.107 5.093 4.403 488 HG13 ILE 61 HG13 ILE 61 6.714 5.839 2.933 489 HG21 ILE 61 HG21 ILE 61 6.861 2.563 4.879 490 HG22 ILE 61 HG22 ILE 61 6.383 2.132 3.236 491 HG23 ILE 61 HG23 ILE 61 8.039 1.845 3.749 492 HD11 ILE 61 HD11 ILE 61 4.681 3.606 3.091 493 HD12 ILE 61 HD12 ILE 61 4.447 5.268 2.546 494 HD13 ILE 61 HD13 ILE 61 5.438 4.165 1.575 495 H GLN 62 H GLN 62 9.893 2.903 5.931 496 HA GLN 62 HA GLN 62 12.370 2.512 4.341 497 HB2 GLN 62 HB2 GLN 62 11.875 2.015 7.304 498 HB3 GLN 62 HB3 GLN 62 13.422 1.956 6.462 499 HG2 GLN 62 HG2 GLN 62 11.716 4.422 7.006 500 HG3 GLN 62 HG3 GLN 62 13.288 4.030 7.682 501 HE21 GLN 62 HE21 GLN 62 13.299 6.339 4.450 502 HE22 GLN 62 HE22 GLN 62 12.085 6.284 5.698 503 H LYS 63 H LYS 63 13.408 0.220 5.060 504 HA LYS 63 HA LYS 63 11.749 -1.720 3.775 505 HB2 LYS 63 HB2 LYS 63 13.530 -3.264 4.070 506 HB3 LYS 63 HB3 LYS 63 14.245 -1.715 3.672 507 HG2 LYS 63 HG2 LYS 63 14.843 -1.358 6.043 508 HG3 LYS 63 HG3 LYS 63 14.088 -2.903 6.490 509 HD2 LYS 63 HD2 LYS 63 15.692 -4.160 5.157 510 HD3 LYS 63 HD3 LYS 63 16.358 -2.671 4.482 511 HE2 LYS 63 HE2 LYS 63 16.695 -2.084 7.088 512 HE3 LYS 63 HE3 LYS 63 16.694 -3.844 7.238 513 HZ1 LYS 63 HZ1 LYS 63 18.508 -2.185 5.587 514 HZ2 LYS 63 HZ2 LYS 63 18.910 -2.978 6.930 515 HZ3 LYS 63 HZ3 LYS 63 18.531 -3.835 5.564 516 H GLU 64 H GLU 64 11.073 -3.760 4.568 517 HA GLU 64 HA GLU 64 9.625 -4.904 5.735 518 HB2 GLU 64 HB2 GLU 64 11.950 -4.577 7.641 519 HB3 GLU 64 HB3 GLU 64 10.553 -5.571 8.017 520 HG2 GLU 64 HG2 GLU 64 11.946 -7.133 7.082 521 HG3 GLU 64 HG3 GLU 64 10.889 -6.741 5.745 522 H SER 65 H SER 65 8.653 -2.390 5.503 523 HA SER 65 HA SER 65 7.577 -1.545 8.104 524 HB2 SER 65 HB2 SER 65 6.422 0.145 6.477 525 HB3 SER 65 HB3 SER 65 8.148 0.318 6.833 526 HG SER 65 HG SER 65 8.656 -0.183 4.867 527 H THR 66 H THR 66 5.205 -1.555 8.450 528 HA THR 66 HA THR 66 3.723 -3.521 6.741 529 HB THR 66 HB THR 66 3.348 -3.110 9.714 530 HG1 THR 66 HG1 THR 66 4.374 -5.435 9.389 531 HG21 THR 66 HG21 THR 66 2.539 -5.462 7.936 532 HG22 THR 66 HG22 THR 66 2.074 -5.152 9.619 533 HG23 THR 66 HG23 THR 66 1.464 -4.119 8.318 534 H LEU 67 H LEU 67 2.313 -2.558 5.557 535 HA LEU 67 HA LEU 67 1.156 0.074 6.338 536 HB2 LEU 67 HB2 LEU 67 1.401 -1.399 3.681 537 HB3 LEU 67 HB3 LEU 67 0.513 0.093 3.908 538 HG LEU 67 HG LEU 67 2.709 1.094 4.813 539 HD11 LEU 67 HD11 LEU 67 4.790 0.182 3.797 540 HD12 LEU 67 HD12 LEU 67 4.154 -0.875 5.024 541 HD13 LEU 67 HD13 LEU 67 3.894 -1.289 3.322 542 HD21 LEU 67 HD21 LEU 67 3.399 1.711 2.549 543 HD22 LEU 67 HD22 LEU 67 2.490 0.342 1.880 544 HD23 LEU 67 HD23 LEU 67 1.649 1.692 2.682 545 H HIS 68 H HIS 68 -1.118 0.393 5.479 546 HA HIS 68 HA HIS 68 -2.907 -1.920 6.046 547 HB2 HIS 68 HB2 HIS 68 -2.986 0.961 6.996 548 HB3 HIS 68 HB3 HIS 68 -4.477 0.061 6.777 549 HD1 HIS 68 HD1 HIS 68 -1.556 0.299 9.218 550 HD2 HIS 68 HD2 HIS 68 -5.057 -1.948 8.439 551 HE1 HIS 68 HE1 HIS 68 -2.079 -0.972 11.344 552 H LEU 69 H LEU 69 -4.897 -1.858 4.874 553 HA LEU 69 HA LEU 69 -5.007 -0.111 2.468 554 HB2 LEU 69 HB2 LEU 69 -5.281 -3.102 2.877 555 HB3 LEU 69 HB3 LEU 69 -6.167 -2.349 1.581 556 HG LEU 69 HG LEU 69 -3.186 -1.990 1.859 557 HD11 LEU 69 HD11 LEU 69 -4.697 -4.039 0.181 558 HD12 LEU 69 HD12 LEU 69 -2.948 -3.768 0.159 559 HD13 LEU 69 HD13 LEU 69 -3.725 -4.398 1.619 560 HD21 LEU 69 HD21 LEU 69 -5.008 -1.688 -0.569 561 HD22 LEU 69 HD22 LEU 69 -4.429 -0.335 0.407 562 HD23 LEU 69 HD23 LEU 69 -3.274 -1.326 -0.483 563 H VAL 70 H VAL 70 -6.952 1.101 2.473 564 HA VAL 70 HA VAL 70 -9.269 0.018 3.978 565 HB VAL 70 HB VAL 70 -9.638 2.053 5.212 566 HG11 VAL 70 HG11 VAL 70 -6.707 1.363 5.638 567 HG12 VAL 70 HG12 VAL 70 -7.840 2.079 6.804 568 HG13 VAL 70 HG13 VAL 70 -8.088 0.422 6.246 569 HG21 VAL 70 HG21 VAL 70 -7.228 3.177 3.763 570 HG22 VAL 70 HG22 VAL 70 -8.887 3.775 3.717 571 HG23 VAL 70 HG23 VAL 70 -7.953 3.932 5.209 572 H LEU 71 H LEU 71 -11.280 1.268 3.641 573 HA LEU 71 HA LEU 71 -11.438 2.726 1.058 574 HB2 LEU 71 HB2 LEU 71 -13.298 1.446 0.363 575 HB3 LEU 71 HB3 LEU 71 -12.047 0.321 0.818 576 HG LEU 71 HG LEU 71 -13.779 0.826 3.123 577 HD11 LEU 71 HD11 LEU 71 -15.468 1.315 1.311 578 HD12 LEU 71 HD12 LEU 71 -15.218 -0.332 0.712 579 HD13 LEU 71 HD13 LEU 71 -15.848 -0.065 2.344 580 HD21 LEU 71 HD21 LEU 71 -13.258 -1.687 1.489 581 HD22 LEU 71 HD22 LEU 71 -12.306 -1.131 2.880 582 HD23 LEU 71 HD23 LEU 71 -13.996 -1.615 3.102 583 H ARG 72 H ARG 72 -14.120 3.255 1.000 584 HA ARG 72 HA ARG 72 -15.095 4.279 3.519 585 HB2 ARG 72 HB2 ARG 72 -13.457 6.026 2.029 586 HB3 ARG 72 HB3 ARG 72 -15.056 6.376 1.379 587 HG2 ARG 72 HG2 ARG 72 -14.651 7.905 3.197 588 HG3 ARG 72 HG3 ARG 72 -15.861 6.738 3.749 589 HD2 ARG 72 HD2 ARG 72 -13.802 5.432 4.712 590 HD3 ARG 72 HD3 ARG 72 -12.916 6.935 4.497 591 HE ARG 72 HE ARG 72 -15.013 7.837 5.883 592 HH11 ARG 72 HH11 ARG 72 -12.829 5.096 6.523 593 HH12 ARG 72 HH12 ARG 72 -13.580 4.713 8.040 594 HH21 ARG 72 HH21 ARG 72 -15.592 7.639 8.087 595 HH22 ARG 72 HH22 ARG 72 -14.992 6.315 9.049 596 H LEU 73 H LEU 73 -17.381 4.048 3.389 597 HA LEU 73 HA LEU 73 -18.608 3.888 0.715 598 HB2 LEU 73 HB2 LEU 73 -17.774 1.575 2.042 599 HB3 LEU 73 HB3 LEU 73 -19.424 1.717 2.617 600 HG LEU 73 HG LEU 73 -18.604 1.849 -0.300 601 HD11 LEU 73 HD11 LEU 73 -19.265 -0.435 -0.555 602 HD12 LEU 73 HD12 LEU 73 -17.982 -0.330 0.655 603 HD13 LEU 73 HD13 LEU 73 -19.668 -0.563 1.197 604 HD21 LEU 73 HD21 LEU 73 -21.316 1.434 1.030 605 HD22 LEU 73 HD22 LEU 73 -20.801 2.798 -0.026 606 HD23 LEU 73 HD23 LEU 73 -21.015 1.198 -0.699 607 H ARG 74 H ARG 74 -20.683 4.782 0.773 608 HA ARG 74 HA ARG 74 -21.724 5.506 3.477 609 HB2 ARG 74 HB2 ARG 74 -22.194 6.870 0.808 610 HB3 ARG 74 HB3 ARG 74 -22.884 7.363 2.347 611 HG2 ARG 74 HG2 ARG 74 -19.963 7.447 1.503 612 HG3 ARG 74 HG3 ARG 74 -21.010 8.810 1.891 613 HD2 ARG 74 HD2 ARG 74 -20.026 6.692 3.877 614 HD3 ARG 74 HD3 ARG 74 -19.374 8.289 3.703 615 HE ARG 74 HE ARG 74 -21.972 7.525 4.886 616 HH11 ARG 74 HH11 ARG 74 -19.844 10.180 3.903 617 HH12 ARG 74 HH12 ARG 74 -20.692 11.400 4.776 618 HH21 ARG 74 HH21 ARG 74 -23.076 9.082 6.154 619 HH22 ARG 74 HH22 ARG 74 -22.555 10.720 6.179 620 H GLY 75 H GLY 75 -22.283 3.398 0.877 621 HA2 GLY 75 HA2 GLY 75 -25.179 3.218 1.251 622 HA3 GLY 75 HA3 GLY 75 -24.148 2.215 0.225 623 H GLY 76 H GLY 76 -23.012 2.642 3.533 624 HA2 GLY 76 HA2 GLY 76 -24.275 0.792 5.072 625 HA3 GLY 76 HA3 GLY 76 -23.073 -0.139 4.146 Start of MODEL 2 1 H1 MET 1 H MET 1 14.248 -5.199 -2.293 2 HA MET 1 HA MET 1 14.335 -4.618 0.608 3 HB2 MET 1 HB2 MET 1 15.360 -2.859 -0.639 4 HB3 MET 1 HB3 MET 1 14.037 -2.780 -1.799 5 HG2 MET 1 HG2 MET 1 12.588 -1.777 -0.268 6 HG3 MET 1 HG3 MET 1 13.541 -2.293 1.141 7 HE1 MET 1 HE1 MET 1 12.261 0.688 0.547 8 HE2 MET 1 HE2 MET 1 13.018 0.157 2.064 9 HE3 MET 1 HE3 MET 1 13.568 1.650 1.276 10 H GLN 2 H GLN 2 12.431 -5.295 1.642 11 HA GLN 2 HA GLN 2 10.016 -5.478 -0.075 12 HB2 GLN 2 HB2 GLN 2 9.393 -7.512 1.120 13 HB3 GLN 2 HB3 GLN 2 10.965 -7.697 0.351 14 HG2 GLN 2 HG2 GLN 2 12.043 -7.151 2.579 15 HG3 GLN 2 HG3 GLN 2 10.430 -7.127 3.298 16 HE21 GLN 2 HE21 GLN 2 10.330 -10.621 3.767 17 HE22 GLN 2 HE22 GLN 2 9.501 -9.107 3.907 18 H ILE 3 H ILE 3 7.949 -5.471 1.038 19 HA ILE 3 HA ILE 3 7.878 -4.103 3.656 20 HB ILE 3 HB ILE 3 5.979 -2.694 2.890 21 HG12 ILE 3 HG12 ILE 3 6.062 -2.074 0.350 22 HG13 ILE 3 HG13 ILE 3 6.724 -3.674 0.103 23 HG21 ILE 3 HG21 ILE 3 8.328 -1.850 3.154 24 HG22 ILE 3 HG22 ILE 3 8.484 -1.981 1.392 25 HG23 ILE 3 HG23 ILE 3 7.284 -0.894 2.100 26 HD11 ILE 3 HD11 ILE 3 4.665 -4.681 0.987 27 HD12 ILE 3 HD12 ILE 3 4.079 -3.078 1.501 28 HD13 ILE 3 HD13 ILE 3 4.244 -3.461 -0.223 29 H PHE 4 H PHE 4 5.549 -4.316 4.510 30 HA PHE 4 HA PHE 4 4.323 -6.828 3.590 31 HB2 PHE 4 HB2 PHE 4 4.648 -5.834 6.447 32 HB3 PHE 4 HB3 PHE 4 3.801 -7.289 5.959 33 HD1 PHE 4 HD1 PHE 4 5.059 -9.248 5.046 34 HD2 PHE 4 HD2 PHE 4 7.074 -5.786 6.657 35 HE1 PHE 4 HE1 PHE 4 7.138 -10.571 5.306 36 HE2 PHE 4 HE2 PHE 4 9.138 -7.131 6.935 37 HZ PHE 4 HZ PHE 4 9.181 -9.522 6.273 38 H VAL 5 H VAL 5 2.002 -6.850 3.808 39 HA VAL 5 HA VAL 5 0.745 -4.287 4.620 40 HB VAL 5 HB VAL 5 -0.092 -5.660 2.048 41 HG11 VAL 5 HG11 VAL 5 -1.274 -3.521 1.666 42 HG12 VAL 5 HG12 VAL 5 -1.804 -4.274 3.172 43 HG13 VAL 5 HG13 VAL 5 -0.677 -2.906 3.224 44 HG21 VAL 5 HG21 VAL 5 1.741 -3.246 2.318 45 HG22 VAL 5 HG22 VAL 5 2.142 -4.818 1.584 46 HG23 VAL 5 HG23 VAL 5 0.948 -3.773 0.814 47 H LYS 6 H LYS 6 -0.878 -4.632 5.970 48 HA LYS 6 HA LYS 6 -1.982 -7.386 6.299 49 HB2 LYS 6 HB2 LYS 6 -1.338 -6.145 8.327 50 HB3 LYS 6 HB3 LYS 6 -2.338 -4.777 7.858 51 HG2 LYS 6 HG2 LYS 6 -3.461 -6.010 9.574 52 HG3 LYS 6 HG3 LYS 6 -4.376 -6.132 8.092 53 HD2 LYS 6 HD2 LYS 6 -4.436 -8.268 9.184 54 HD3 LYS 6 HD3 LYS 6 -3.489 -8.425 7.734 55 HE2 LYS 6 HE2 LYS 6 -2.357 -9.687 9.395 56 HE3 LYS 6 HE3 LYS 6 -1.396 -8.221 9.158 57 HZ1 LYS 6 HZ1 LYS 6 -1.667 -8.603 11.512 58 HZ2 LYS 6 HZ2 LYS 6 -2.560 -7.300 11.135 59 HZ3 LYS 6 HZ3 LYS 6 -3.278 -8.749 11.402 60 H THR 7 H THR 7 -3.748 -7.861 4.994 61 HA THR 7 HA THR 7 -4.971 -5.753 3.464 62 HB THR 7 HB THR 7 -6.214 -7.401 2.350 63 HG1 THR 7 HG1 THR 7 -6.520 -9.414 3.072 64 HG21 THR 7 HG21 THR 7 -3.603 -8.788 3.022 65 HG22 THR 7 HG22 THR 7 -4.591 -8.988 1.566 66 HG23 THR 7 HG23 THR 7 -3.766 -7.447 1.862 67 H LEU 8 H LEU 8 -7.361 -5.653 3.169 68 HA LEU 8 HA LEU 8 -8.578 -4.824 5.599 69 HB2 LEU 8 HB2 LEU 8 -10.446 -4.213 4.305 70 HB3 LEU 8 HB3 LEU 8 -9.031 -3.810 3.351 71 HG LEU 8 HG LEU 8 -10.784 -6.284 2.930 72 HD11 LEU 8 HD11 LEU 8 -12.030 -4.227 2.467 73 HD12 LEU 8 HD12 LEU 8 -10.726 -3.647 1.415 74 HD13 LEU 8 HD13 LEU 8 -11.667 -5.078 0.964 75 HD21 LEU 8 HD21 LEU 8 -9.697 -6.354 0.683 76 HD22 LEU 8 HD22 LEU 8 -8.545 -5.125 1.222 77 HD23 LEU 8 HD23 LEU 8 -8.597 -6.740 1.991 78 H THR 9 H THR 9 -8.276 -8.025 4.248 79 HA THR 9 HA THR 9 -10.678 -8.974 5.696 80 HB THR 9 HB THR 9 -10.301 -11.061 4.436 81 HG1 THR 9 HG1 THR 9 -8.592 -11.347 3.354 82 HG21 THR 9 HG21 THR 9 -11.803 -9.278 3.526 83 HG22 THR 9 HG22 THR 9 -10.443 -8.646 2.574 84 HG23 THR 9 HG23 THR 9 -11.055 -10.286 2.276 85 H GLY 10 H GLY 10 -7.286 -8.603 6.117 86 HA2 GLY 10 HA2 GLY 10 -6.359 -9.040 8.245 87 HA3 GLY 10 HA3 GLY 10 -7.324 -10.498 8.407 88 H LYS 11 H LYS 11 -5.907 -10.284 5.222 89 HA LYS 11 HA LYS 11 -4.067 -12.494 5.935 90 HB2 LYS 11 HB2 LYS 11 -4.854 -11.030 3.372 91 HB3 LYS 11 HB3 LYS 11 -3.464 -12.068 3.374 92 HG2 LYS 11 HG2 LYS 11 -6.148 -13.069 4.353 93 HG3 LYS 11 HG3 LYS 11 -5.779 -12.994 2.636 94 HD2 LYS 11 HD2 LYS 11 -4.227 -14.593 4.716 95 HD3 LYS 11 HD3 LYS 11 -5.367 -15.248 3.552 96 HE2 LYS 11 HE2 LYS 11 -2.699 -13.910 2.917 97 HE3 LYS 11 HE3 LYS 11 -3.064 -15.628 2.809 98 HZ1 LYS 11 HZ1 LYS 11 -4.472 -15.236 0.978 99 HZ2 LYS 11 HZ2 LYS 11 -4.450 -13.586 1.128 100 HZ3 LYS 11 HZ3 LYS 11 -3.093 -14.363 0.719 101 H THR 12 H THR 12 -1.706 -12.316 5.247 102 HA THR 12 HA THR 12 -0.694 -9.524 5.565 103 HB THR 12 HB THR 12 0.402 -12.217 6.475 104 HG1 THR 12 HG1 THR 12 -0.070 -11.499 8.470 105 HG21 THR 12 HG21 THR 12 1.578 -9.426 6.871 106 HG22 THR 12 HG22 THR 12 2.214 -10.959 7.526 107 HG23 THR 12 HG23 THR 12 2.239 -10.672 5.788 108 H ILE 13 H ILE 13 0.418 -8.842 3.845 109 HA ILE 13 HA ILE 13 1.182 -10.754 1.692 110 HB ILE 13 HB ILE 13 0.520 -7.797 1.518 111 HG12 ILE 13 HG12 ILE 13 -1.511 -8.945 2.232 112 HG13 ILE 13 HG13 ILE 13 -1.653 -8.312 0.628 113 HG21 ILE 13 HG21 ILE 13 0.260 -8.309 -0.931 114 HG22 ILE 13 HG22 ILE 13 1.896 -8.474 -0.320 115 HG23 ILE 13 HG23 ILE 13 0.929 -9.926 -0.599 116 HD11 ILE 13 HD11 ILE 13 -1.137 -11.243 1.320 117 HD12 ILE 13 HD12 ILE 13 -2.689 -10.547 0.834 118 HD13 ILE 13 HD13 ILE 13 -1.352 -10.600 -0.324 119 H THR 14 H THR 14 3.240 -10.262 0.618 120 HA THR 14 HA THR 14 5.055 -8.407 1.992 121 HB THR 14 HB THR 14 5.829 -11.227 1.148 122 HG1 THR 14 HG1 THR 14 4.398 -11.284 2.865 123 HG21 THR 14 HG21 THR 14 7.207 -9.042 2.781 124 HG22 THR 14 HG22 THR 14 7.801 -10.706 2.625 125 HG23 THR 14 HG23 THR 14 7.713 -9.663 1.192 126 H LEU 15 H LEU 15 6.100 -7.159 0.398 127 HA LEU 15 HA LEU 15 6.135 -8.175 -2.402 128 HB2 LEU 15 HB2 LEU 15 5.087 -5.455 -1.509 129 HB3 LEU 15 HB3 LEU 15 5.396 -5.905 -3.181 130 HG LEU 15 HG LEU 15 3.375 -7.318 -1.401 131 HD11 LEU 15 HD11 LEU 15 3.054 -4.997 -3.304 132 HD12 LEU 15 HD12 LEU 15 1.721 -6.042 -2.769 133 HD13 LEU 15 HD13 LEU 15 2.640 -5.095 -1.590 134 HD21 LEU 15 HD21 LEU 15 2.473 -8.090 -3.647 135 HD22 LEU 15 HD22 LEU 15 3.985 -7.511 -4.379 136 HD23 LEU 15 HD23 LEU 15 4.024 -8.791 -3.182 137 H GLU 16 H GLU 16 7.752 -7.291 -3.664 138 HA GLU 16 HA GLU 16 9.942 -5.964 -2.238 139 HB2 GLU 16 HB2 GLU 16 10.407 -7.954 -3.445 140 HB3 GLU 16 HB3 GLU 16 9.783 -7.285 -4.969 141 HG2 GLU 16 HG2 GLU 16 11.550 -5.724 -5.174 142 HG3 GLU 16 HG3 GLU 16 12.025 -5.909 -3.489 143 H VAL 17 H VAL 17 10.197 -3.841 -2.383 144 HA VAL 17 HA VAL 17 9.265 -2.282 -4.699 145 HB VAL 17 HB VAL 17 8.273 -0.599 -3.180 146 HG11 VAL 17 HG11 VAL 17 6.780 -2.284 -4.149 147 HG12 VAL 17 HG12 VAL 17 7.011 -3.346 -2.744 148 HG13 VAL 17 HG13 VAL 17 6.224 -1.772 -2.543 149 HG21 VAL 17 HG21 VAL 17 8.669 -2.645 -0.950 150 HG22 VAL 17 HG22 VAL 17 9.554 -1.111 -1.116 151 HG23 VAL 17 HG23 VAL 17 7.808 -1.094 -0.834 152 H GLU 18 H GLU 18 10.212 0.159 -4.206 153 HA GLU 18 HA GLU 18 12.734 0.035 -2.736 154 HB2 GLU 18 HB2 GLU 18 14.008 0.803 -4.737 155 HB3 GLU 18 HB3 GLU 18 13.380 -0.828 -4.858 156 HG2 GLU 18 HG2 GLU 18 11.425 0.171 -6.236 157 HG3 GLU 18 HG3 GLU 18 12.391 1.652 -6.307 158 HA PRO 19 HA PRO 19 11.869 4.135 -1.604 159 HB2 PRO 19 HB2 PRO 19 14.451 5.078 -2.822 160 HB3 PRO 19 HB3 PRO 19 13.755 5.449 -1.213 161 HG2 PRO 19 HG2 PRO 19 15.665 3.553 -1.378 162 HG3 PRO 19 HG3 PRO 19 14.186 3.208 -0.433 163 HD2 PRO 19 HD2 PRO 19 14.795 2.403 -3.294 164 HD3 PRO 19 HD3 PRO 19 14.214 1.383 -1.953 165 H SER 20 H SER 20 12.667 3.791 -5.067 166 HA SER 20 HA SER 20 11.084 6.291 -5.529 167 HB2 SER 20 HB2 SER 20 13.557 6.026 -6.239 168 HB3 SER 20 HB3 SER 20 12.931 4.995 -7.540 169 HG SER 20 HG SER 20 11.905 6.727 -8.397 170 H ASP 21 H ASP 21 9.908 3.572 -4.973 171 HA ASP 21 HA ASP 21 8.675 2.971 -7.604 172 HB2 ASP 21 HB2 ASP 21 9.497 1.213 -5.840 173 HB3 ASP 21 HB3 ASP 21 8.033 1.631 -4.955 174 H THR 22 H THR 22 6.603 3.869 -8.071 175 HA THR 22 HA THR 22 5.612 5.845 -6.155 176 HB THR 22 HB THR 22 3.921 6.323 -7.774 177 HG1 THR 22 HG1 THR 22 3.655 5.213 -9.614 178 HG21 THR 22 HG21 THR 22 6.625 5.999 -9.160 179 HG22 THR 22 HG22 THR 22 5.266 6.955 -9.775 180 HG23 THR 22 HG23 THR 22 6.032 7.422 -8.264 181 H ILE 23 H ILE 23 3.448 5.860 -5.320 182 HA ILE 23 HA ILE 23 2.704 3.398 -4.096 183 HB ILE 23 HB ILE 23 1.013 5.865 -4.570 184 HG12 ILE 23 HG12 ILE 23 2.963 6.519 -3.357 185 HG13 ILE 23 HG13 ILE 23 1.642 6.446 -2.211 186 HG21 ILE 23 HG21 ILE 23 -0.299 5.212 -2.580 187 HG22 ILE 23 HG22 ILE 23 -0.480 4.058 -3.900 188 HG23 ILE 23 HG23 ILE 23 0.568 3.669 -2.515 189 HD11 ILE 23 HD11 ILE 23 3.899 4.426 -2.501 190 HD12 ILE 23 HD12 ILE 23 3.634 5.568 -1.179 191 HD13 ILE 23 HD13 ILE 23 2.503 4.231 -1.408 192 H GLU 24 H GLU 24 1.909 4.574 -7.307 193 HA GLU 24 HA GLU 24 -0.389 2.974 -7.883 194 HB2 GLU 24 HB2 GLU 24 1.818 3.695 -9.828 195 HB3 GLU 24 HB3 GLU 24 0.146 3.362 -10.216 196 HG2 GLU 24 HG2 GLU 24 -0.571 5.497 -9.553 197 HG3 GLU 24 HG3 GLU 24 0.832 5.766 -8.504 198 H ASN 25 H ASN 25 3.127 2.478 -8.307 199 HA ASN 25 HA ASN 25 3.010 -0.089 -9.571 200 HB2 ASN 25 HB2 ASN 25 5.227 1.266 -7.968 201 HB3 ASN 25 HB3 ASN 25 5.390 -0.323 -8.679 202 HD21 ASN 25 HD21 ASN 25 5.724 2.960 -11.081 203 HD22 ASN 25 HD22 ASN 25 5.080 3.145 -9.485 204 H VAL 26 H VAL 26 3.597 0.931 -6.196 205 HA VAL 26 HA VAL 26 3.614 -1.662 -5.108 206 HB VAL 26 HB VAL 26 2.696 0.865 -3.687 207 HG11 VAL 26 HG11 VAL 26 2.274 -1.136 -2.361 208 HG12 VAL 26 HG12 VAL 26 3.875 -1.796 -2.749 209 HG13 VAL 26 HG13 VAL 26 3.732 -0.355 -1.723 210 HG21 VAL 26 HG21 VAL 26 5.510 -0.219 -4.116 211 HG22 VAL 26 HG22 VAL 26 4.896 1.315 -4.695 212 HG23 VAL 26 HG23 VAL 26 5.076 1.067 -2.969 213 H LYS 27 H LYS 27 0.798 0.443 -5.933 214 HA LYS 27 HA LYS 27 -1.075 -1.355 -4.626 215 HB2 LYS 27 HB2 LYS 27 -1.413 1.131 -5.141 216 HB3 LYS 27 HB3 LYS 27 -1.712 0.629 -6.813 217 HG2 LYS 27 HG2 LYS 27 -3.655 -0.721 -6.053 218 HG3 LYS 27 HG3 LYS 27 -3.225 -0.412 -4.367 219 HD2 LYS 27 HD2 LYS 27 -5.108 1.004 -5.126 220 HD3 LYS 27 HD3 LYS 27 -3.706 1.943 -4.579 221 HE2 LYS 27 HE2 LYS 27 -3.002 2.138 -7.013 222 HE3 LYS 27 HE3 LYS 27 -4.497 1.339 -7.472 223 HZ1 LYS 27 HZ1 LYS 27 -5.701 3.183 -6.542 224 HZ2 LYS 27 HZ2 LYS 27 -4.337 3.884 -5.954 225 HZ3 LYS 27 HZ3 LYS 27 -4.540 3.736 -7.593 226 H ALA 28 H ALA 28 0.535 -1.323 -7.772 227 HA ALA 28 HA ALA 28 -1.383 -3.103 -9.040 228 HB1 ALA 28 HB1 ALA 28 0.256 -1.633 -10.321 229 HB2 ALA 28 HB2 ALA 28 1.573 -2.674 -9.755 230 HB3 ALA 28 HB3 ALA 28 0.300 -3.342 -10.784 231 H LYS 29 H LYS 29 1.749 -3.348 -7.374 232 HA LYS 29 HA LYS 29 2.184 -6.123 -7.493 233 HB2 LYS 29 HB2 LYS 29 2.958 -4.077 -5.390 234 HB3 LYS 29 HB3 LYS 29 3.580 -5.728 -5.432 235 HG2 LYS 29 HG2 LYS 29 4.653 -5.386 -7.554 236 HG3 LYS 29 HG3 LYS 29 3.918 -3.791 -7.742 237 HD2 LYS 29 HD2 LYS 29 5.119 -3.347 -5.390 238 HD3 LYS 29 HD3 LYS 29 6.152 -4.664 -5.917 239 HE2 LYS 29 HE2 LYS 29 5.577 -2.057 -7.403 240 HE3 LYS 29 HE3 LYS 29 7.041 -2.403 -6.495 241 HZ1 LYS 29 HZ1 LYS 29 6.218 -3.948 -8.891 242 HZ2 LYS 29 HZ2 LYS 29 7.265 -2.676 -8.885 243 HZ3 LYS 29 HZ3 LYS 29 7.672 -4.017 -8.076 244 H ILE 30 H ILE 30 0.199 -4.320 -5.011 245 HA ILE 30 HA ILE 30 -0.271 -6.731 -3.509 246 HB ILE 30 HB ILE 30 -2.202 -5.635 -2.478 247 HG12 ILE 30 HG12 ILE 30 -1.626 -3.281 -4.242 248 HG13 ILE 30 HG13 ILE 30 -2.996 -4.369 -4.468 249 HG21 ILE 30 HG21 ILE 30 -0.982 -3.845 -1.315 250 HG22 ILE 30 HG22 ILE 30 0.003 -5.278 -1.528 251 HG23 ILE 30 HG23 ILE 30 0.268 -3.858 -2.577 252 HD11 ILE 30 HD11 ILE 30 -2.541 -2.445 -2.184 253 HD12 ILE 30 HD12 ILE 30 -3.845 -2.452 -3.379 254 HD13 ILE 30 HD13 ILE 30 -3.779 -3.723 -2.149 255 H GLN 31 H GLN 31 -1.818 -5.511 -6.519 256 HA GLN 31 HA GLN 31 -4.028 -7.316 -6.240 257 HB2 GLN 31 HB2 GLN 31 -2.983 -5.785 -8.631 258 HB3 GLN 31 HB3 GLN 31 -4.457 -6.768 -8.607 259 HG2 GLN 31 HG2 GLN 31 -5.244 -5.442 -6.616 260 HG3 GLN 31 HG3 GLN 31 -3.885 -4.348 -6.839 261 HE21 GLN 31 HE21 GLN 31 -7.016 -4.397 -9.592 262 HE22 GLN 31 HE22 GLN 31 -6.742 -5.723 -8.500 263 H ASP 32 H ASP 32 -0.750 -7.682 -7.340 264 HA ASP 32 HA ASP 32 -1.206 -10.130 -8.883 265 HB2 ASP 32 HB2 ASP 32 0.629 -8.942 -9.634 266 HB3 ASP 32 HB3 ASP 32 1.157 -8.485 -8.026 267 H LYS 33 H LYS 33 -0.782 -9.249 -5.524 268 HA LYS 33 HA LYS 33 -0.271 -12.080 -4.728 269 HB2 LYS 33 HB2 LYS 33 0.337 -9.411 -3.539 270 HB3 LYS 33 HB3 LYS 33 -0.150 -10.663 -2.412 271 HG2 LYS 33 HG2 LYS 33 2.316 -10.544 -2.713 272 HG3 LYS 33 HG3 LYS 33 1.641 -12.131 -3.062 273 HD2 LYS 33 HD2 LYS 33 1.758 -11.736 -5.461 274 HD3 LYS 33 HD3 LYS 33 2.358 -10.090 -5.190 275 HE2 LYS 33 HE2 LYS 33 4.430 -10.906 -4.319 276 HE3 LYS 33 HE3 LYS 33 3.801 -12.552 -4.118 277 HZ1 LYS 33 HZ1 LYS 33 5.233 -11.978 -6.177 278 HZ2 LYS 33 HZ2 LYS 33 3.954 -12.962 -6.342 279 HZ3 LYS 33 HZ3 LYS 33 3.804 -11.413 -6.812 280 H GLU 34 H GLU 34 -2.978 -9.783 -4.699 281 HA GLU 34 HA GLU 34 -4.654 -11.873 -3.574 282 HB2 GLU 34 HB2 GLU 34 -3.704 -10.515 -1.595 283 HB3 GLU 34 HB3 GLU 34 -4.515 -9.115 -2.282 284 HG2 GLU 34 HG2 GLU 34 -5.893 -9.866 -0.563 285 HG3 GLU 34 HG3 GLU 34 -6.711 -10.382 -2.029 286 H GLY 35 H GLY 35 -6.849 -11.433 -4.408 287 HA2 GLY 35 HA2 GLY 35 -6.925 -9.535 -6.632 288 HA3 GLY 35 HA3 GLY 35 -8.155 -10.726 -6.187 289 H ILE 36 H ILE 36 -6.904 -7.474 -5.513 290 HA ILE 36 HA ILE 36 -9.517 -6.752 -4.297 291 HB ILE 36 HB ILE 36 -8.194 -5.205 -2.756 292 HG12 ILE 36 HG12 ILE 36 -5.974 -7.272 -3.198 293 HG13 ILE 36 HG13 ILE 36 -5.899 -5.607 -3.756 294 HG21 ILE 36 HG21 ILE 36 -8.192 -6.938 -1.034 295 HG22 ILE 36 HG22 ILE 36 -9.555 -7.197 -2.118 296 HG23 ILE 36 HG23 ILE 36 -8.093 -8.214 -2.266 297 HD11 ILE 36 HD11 ILE 36 -4.639 -5.838 -1.717 298 HD12 ILE 36 HD12 ILE 36 -6.064 -4.819 -1.402 299 HD13 ILE 36 HD13 ILE 36 -6.018 -6.517 -0.855 300 HA PRO 37 HA PRO 37 -8.949 -4.149 -7.933 301 HB2 PRO 37 HB2 PRO 37 -11.474 -2.914 -6.824 302 HB3 PRO 37 HB3 PRO 37 -11.102 -3.378 -8.512 303 HG2 PRO 37 HG2 PRO 37 -12.694 -4.930 -6.952 304 HG3 PRO 37 HG3 PRO 37 -11.489 -5.663 -8.050 305 HD2 PRO 37 HD2 PRO 37 -11.305 -5.232 -5.068 306 HD3 PRO 37 HD3 PRO 37 -10.778 -6.633 -6.050 307 HA PRO 38 HA PRO 38 -7.512 -0.375 -5.921 308 HB2 PRO 38 HB2 PRO 38 -6.907 1.211 -8.023 309 HB3 PRO 38 HB3 PRO 38 -6.106 -0.372 -7.827 310 HG2 PRO 38 HG2 PRO 38 -8.503 0.281 -9.566 311 HG3 PRO 38 HG3 PRO 38 -7.000 -0.573 -10.046 312 HD2 PRO 38 HD2 PRO 38 -9.333 -1.848 -9.266 313 HD3 PRO 38 HD3 PRO 38 -7.703 -2.541 -9.007 314 H ASP 39 H ASP 39 -10.108 -0.734 -5.490 315 HA ASP 39 HA ASP 39 -11.245 1.899 -5.430 316 HB2 ASP 39 HB2 ASP 39 -12.261 1.057 -7.540 317 HB3 ASP 39 HB3 ASP 39 -12.874 -0.371 -6.670 318 H GLN 40 H GLN 40 -12.478 2.044 -3.621 319 HA GLN 40 HA GLN 40 -12.980 1.711 -1.412 320 HB2 GLN 40 HB2 GLN 40 -14.766 0.547 -2.836 321 HB3 GLN 40 HB3 GLN 40 -13.892 -0.956 -2.592 322 HG2 GLN 40 HG2 GLN 40 -14.336 -0.424 -0.023 323 HG3 GLN 40 HG3 GLN 40 -15.623 0.580 -0.677 324 HE21 GLN 40 HE21 GLN 40 -17.042 -2.559 -2.275 325 HE22 GLN 40 HE22 GLN 40 -16.591 -0.977 -2.860 326 H ASN 41 H ASN 41 -10.340 1.229 -2.045 327 HA ASN 41 HA ASN 41 -9.345 -0.434 0.126 328 HB2 ASN 41 HB2 ASN 41 -8.712 -0.938 -2.824 329 HB3 ASN 41 HB3 ASN 41 -7.604 -1.360 -1.525 330 HD21 ASN 41 HD21 ASN 41 -10.813 -3.765 -2.174 331 HD22 ASN 41 HD22 ASN 41 -10.583 -2.324 -3.142 332 H ARG 42 H ARG 42 -7.483 0.791 0.947 333 HA ARG 42 HA ARG 42 -6.007 2.488 -0.887 334 HB2 ARG 42 HB2 ARG 42 -7.875 4.034 -0.165 335 HB3 ARG 42 HB3 ARG 42 -7.315 3.868 1.515 336 HG2 ARG 42 HG2 ARG 42 -5.108 4.757 0.892 337 HG3 ARG 42 HG3 ARG 42 -5.555 4.768 -0.813 338 HD2 ARG 42 HD2 ARG 42 -6.790 6.557 1.287 339 HD3 ARG 42 HD3 ARG 42 -5.418 6.985 0.277 340 HE ARG 42 HE ARG 42 -6.707 7.066 -1.632 341 HH11 ARG 42 HH11 ARG 42 -8.728 6.770 1.264 342 HH12 ARG 42 HH12 ARG 42 -10.212 7.056 0.425 343 HH21 ARG 42 HH21 ARG 42 -8.677 7.423 -2.765 344 HH22 ARG 42 HH22 ARG 42 -10.184 7.412 -1.954 345 H LEU 43 H LEU 43 -3.910 2.779 -0.151 346 HA LEU 43 HA LEU 43 -3.104 1.001 2.047 347 HB2 LEU 43 HB2 LEU 43 -1.974 1.994 -0.474 348 HB3 LEU 43 HB3 LEU 43 -0.890 2.389 0.825 349 HG LEU 43 HG LEU 43 -0.302 0.289 -0.215 350 HD11 LEU 43 HD11 LEU 43 -1.378 -0.360 2.545 351 HD12 LEU 43 HD12 LEU 43 0.013 -1.065 1.713 352 HD13 LEU 43 HD13 LEU 43 0.075 0.620 2.245 353 HD21 LEU 43 HD21 LEU 43 -1.723 -1.696 -0.083 354 HD22 LEU 43 HD22 LEU 43 -3.030 -0.722 0.623 355 HD23 LEU 43 HD23 LEU 43 -2.486 -0.398 -1.026 356 H ILE 44 H ILE 44 -2.130 1.668 3.957 357 HA ILE 44 HA ILE 44 -1.726 4.571 4.431 358 HB ILE 44 HB ILE 44 -2.903 2.733 6.515 359 HG12 ILE 44 HG12 ILE 44 -4.535 2.504 4.711 360 HG13 ILE 44 HG13 ILE 44 -5.169 3.333 6.102 361 HG21 ILE 44 HG21 ILE 44 -3.171 5.748 6.140 362 HG22 ILE 44 HG22 ILE 44 -3.777 4.798 7.506 363 HG23 ILE 44 HG23 ILE 44 -2.040 4.945 7.231 364 HD11 ILE 44 HD11 ILE 44 -5.561 5.270 4.980 365 HD12 ILE 44 HD12 ILE 44 -4.116 5.142 3.971 366 HD13 ILE 44 HD13 ILE 44 -5.555 4.209 3.565 367 H PHE 45 H PHE 45 -0.014 5.001 5.916 368 HA PHE 45 HA PHE 45 1.527 2.697 7.010 369 HB2 PHE 45 HB2 PHE 45 2.712 3.278 4.992 370 HB3 PHE 45 HB3 PHE 45 2.546 4.992 5.313 371 HD1 PHE 45 HD1 PHE 45 3.828 2.096 7.426 372 HD2 PHE 45 HD2 PHE 45 4.624 5.944 5.643 373 HE1 PHE 45 HE1 PHE 45 6.034 2.168 8.534 374 HE2 PHE 45 HE2 PHE 45 6.847 5.994 6.738 375 HZ PHE 45 HZ PHE 45 7.564 4.110 8.188 376 H ALA 46 H ALA 46 1.450 3.013 9.158 377 HA ALA 46 HA ALA 46 1.326 3.959 11.166 378 HB1 ALA 46 HB1 ALA 46 3.726 4.192 10.662 379 HB2 ALA 46 HB2 ALA 46 3.434 5.833 10.059 380 HB3 ALA 46 HB3 ALA 46 3.147 5.457 11.769 381 H GLY 47 H GLY 47 -0.786 4.766 9.587 382 HA2 GLY 47 HA2 GLY 47 -2.608 6.128 9.955 383 HA3 GLY 47 HA3 GLY 47 -1.622 7.249 10.895 384 H LYS 48 H LYS 48 0.301 7.099 8.283 385 HA LYS 48 HA LYS 48 -0.863 9.509 7.120 386 HB2 LYS 48 HB2 LYS 48 1.639 9.146 7.511 387 HB3 LYS 48 HB3 LYS 48 1.589 7.918 6.246 388 HG2 LYS 48 HG2 LYS 48 2.000 9.539 4.767 389 HG3 LYS 48 HG3 LYS 48 0.373 10.087 4.986 390 HD2 LYS 48 HD2 LYS 48 2.799 11.097 6.531 391 HD3 LYS 48 HD3 LYS 48 2.047 11.881 5.143 392 HE2 LYS 48 HE2 LYS 48 -0.136 11.914 6.551 393 HE3 LYS 48 HE3 LYS 48 0.903 11.540 7.942 394 HZ1 LYS 48 HZ1 LYS 48 0.586 13.932 7.691 395 HZ2 LYS 48 HZ2 LYS 48 2.161 13.570 7.397 396 HZ3 LYS 48 HZ3 LYS 48 1.122 13.886 6.153 397 H GLN 49 H GLN 49 -2.181 9.491 5.390 398 HA GLN 49 HA GLN 49 -3.007 6.988 4.132 399 HB2 GLN 49 HB2 GLN 49 -3.750 9.932 3.860 400 HB3 GLN 49 HB3 GLN 49 -4.220 8.785 2.616 401 HG2 GLN 49 HG2 GLN 49 -6.008 9.189 4.249 402 HG3 GLN 49 HG3 GLN 49 -5.556 7.505 4.052 403 HE21 GLN 49 HE21 GLN 49 -4.225 9.119 7.594 404 HE22 GLN 49 HE22 GLN 49 -4.297 10.224 6.233 405 H LEU 50 H LEU 50 -2.353 6.232 2.099 406 HA LEU 50 HA LEU 50 -0.239 7.800 0.716 407 HB2 LEU 50 HB2 LEU 50 -0.701 4.803 0.567 408 HB3 LEU 50 HB3 LEU 50 0.661 5.719 -0.046 409 HG LEU 50 HG LEU 50 0.022 5.175 2.890 410 HD11 LEU 50 HD11 LEU 50 0.920 3.213 1.744 411 HD12 LEU 50 HD12 LEU 50 2.222 4.172 1.029 412 HD13 LEU 50 HD13 LEU 50 2.174 3.908 2.776 413 HD21 LEU 50 HD21 LEU 50 2.384 6.632 1.662 414 HD22 LEU 50 HD22 LEU 50 1.112 7.384 2.660 415 HD23 LEU 50 HD23 LEU 50 2.214 6.215 3.377 416 H GLU 51 H GLU 51 -0.494 8.055 -1.499 417 HA GLU 51 HA GLU 51 -2.583 6.740 -3.010 418 HB2 GLU 51 HB2 GLU 51 -3.642 8.829 -3.734 419 HB3 GLU 51 HB3 GLU 51 -3.792 8.648 -1.987 420 HG2 GLU 51 HG2 GLU 51 -1.914 10.234 -1.649 421 HG3 GLU 51 HG3 GLU 51 -1.695 10.375 -3.385 422 H ASP 52 H ASP 52 -2.378 7.790 -5.359 423 HA ASP 52 HA ASP 52 0.295 7.447 -6.204 424 HB2 ASP 52 HB2 ASP 52 -0.569 7.702 -8.438 425 HB3 ASP 52 HB3 ASP 52 -1.605 6.624 -7.503 426 H GLY 53 H GLY 53 1.433 8.843 -7.654 427 HA2 GLY 53 HA2 GLY 53 2.020 10.913 -8.526 428 HA3 GLY 53 HA3 GLY 53 1.241 11.742 -7.163 429 H ARG 54 H ARG 54 2.359 9.621 -5.290 430 HA ARG 54 HA ARG 54 5.162 10.646 -5.252 431 HB2 ARG 54 HB2 ARG 54 3.183 10.710 -3.018 432 HB3 ARG 54 HB3 ARG 54 4.901 10.483 -2.634 433 HG2 ARG 54 HG2 ARG 54 5.513 12.435 -3.955 434 HG3 ARG 54 HG3 ARG 54 3.850 12.683 -4.482 435 HD2 ARG 54 HD2 ARG 54 4.872 12.991 -1.647 436 HD3 ARG 54 HD3 ARG 54 4.605 14.300 -2.791 437 HE ARG 54 HE ARG 54 2.278 13.925 -2.800 438 HH11 ARG 54 HH11 ARG 54 3.915 12.530 -0.058 439 HH12 ARG 54 HH12 ARG 54 2.589 11.561 0.517 440 HH21 ARG 54 HH21 ARG 54 0.369 13.413 -1.615 441 HH22 ARG 54 HH22 ARG 54 0.389 12.198 -0.397 442 H THR 55 H THR 55 6.722 9.444 -3.856 443 HA THR 55 HA THR 55 6.473 6.536 -4.375 444 HB THR 55 HB THR 55 8.902 6.545 -4.725 445 HG1 THR 55 HG1 THR 55 8.714 9.336 -4.230 446 HG21 THR 55 HG21 THR 55 7.445 8.449 -6.568 447 HG22 THR 55 HG22 THR 55 9.057 7.779 -6.881 448 HG23 THR 55 HG23 THR 55 7.676 6.698 -6.739 449 H LEU 56 H LEU 56 8.133 5.273 -3.049 450 HA LEU 56 HA LEU 56 7.504 5.375 -0.331 451 HB2 LEU 56 HB2 LEU 56 9.675 4.046 -1.925 452 HB3 LEU 56 HB3 LEU 56 9.905 4.171 -0.189 453 HG LEU 56 HG LEU 56 7.533 3.135 0.032 454 HD11 LEU 56 HD11 LEU 56 6.842 3.275 -2.320 455 HD12 LEU 56 HD12 LEU 56 8.226 2.281 -2.799 456 HD13 LEU 56 HD13 LEU 56 6.948 1.581 -1.795 457 HD21 LEU 56 HD21 LEU 56 9.689 2.055 0.662 458 HD22 LEU 56 HD22 LEU 56 8.491 0.915 0.050 459 HD23 LEU 56 HD23 LEU 56 9.833 1.438 -1.000 460 H SER 57 H SER 57 10.256 6.943 -1.980 461 HA SER 57 HA SER 57 11.722 7.773 0.294 462 HB2 SER 57 HB2 SER 57 12.450 7.699 -2.126 463 HB3 SER 57 HB3 SER 57 11.458 9.135 -2.425 464 HG SER 57 HG SER 57 13.174 10.160 -1.856 465 H ASP 58 H ASP 58 9.108 9.469 -1.585 466 HA ASP 58 HA ASP 58 9.116 11.884 -0.151 467 HB2 ASP 58 HB2 ASP 58 6.709 10.498 -1.383 468 HB3 ASP 58 HB3 ASP 58 6.819 12.191 -0.924 469 H TYR 59 H TYR 59 7.255 8.901 0.340 470 HA TYR 59 HA TYR 59 5.876 9.915 2.715 471 HB2 TYR 59 HB2 TYR 59 5.969 7.232 1.299 472 HB3 TYR 59 HB3 TYR 59 5.020 7.507 2.743 473 HD1 TYR 59 HD1 TYR 59 3.226 9.341 2.745 474 HD2 TYR 59 HD2 TYR 59 4.994 7.734 -0.836 475 HE1 TYR 59 HE1 TYR 59 1.187 9.911 1.481 476 HE2 TYR 59 HE2 TYR 59 3.038 8.421 -2.140 477 HH TYR 59 HH TYR 59 0.916 9.297 -2.086 478 H ASN 60 H ASN 60 9.020 8.800 2.340 479 HA ASN 60 HA ASN 60 10.624 7.963 3.666 480 HB2 ASN 60 HB2 ASN 60 9.930 10.010 4.993 481 HB3 ASN 60 HB3 ASN 60 9.003 8.942 6.042 482 HD21 ASN 60 HD21 ASN 60 11.957 8.279 7.927 483 HD22 ASN 60 HD22 ASN 60 10.209 8.390 7.923 484 H ILE 61 H ILE 61 8.932 6.036 2.773 485 HA ILE 61 HA ILE 61 8.118 4.299 5.010 486 HB ILE 61 HB ILE 61 8.083 4.000 1.987 487 HG12 ILE 61 HG12 ILE 61 5.793 4.204 3.989 488 HG13 ILE 61 HG13 ILE 61 6.463 5.603 3.159 489 HG21 ILE 61 HG21 ILE 61 6.750 1.916 2.342 490 HG22 ILE 61 HG22 ILE 61 8.375 1.745 2.986 491 HG23 ILE 61 HG23 ILE 61 7.015 2.047 4.092 492 HD11 ILE 61 HD11 ILE 61 5.817 4.578 0.968 493 HD12 ILE 61 HD12 ILE 61 5.005 3.275 1.875 494 HD13 ILE 61 HD13 ILE 61 4.457 4.946 2.040 495 H GLN 62 H GLN 62 9.485 2.991 5.973 496 HA GLN 62 HA GLN 62 12.240 2.687 4.970 497 HB2 GLN 62 HB2 GLN 62 10.905 1.608 7.511 498 HB3 GLN 62 HB3 GLN 62 12.635 1.698 7.199 499 HG2 GLN 62 HG2 GLN 62 10.733 4.042 7.563 500 HG3 GLN 62 HG3 GLN 62 11.936 3.462 8.724 501 HE21 GLN 62 HE21 GLN 62 13.098 6.151 5.994 502 HE22 GLN 62 HE22 GLN 62 11.419 5.874 6.464 503 H LYS 63 H LYS 63 13.284 0.564 5.119 504 HA LYS 63 HA LYS 63 11.926 -1.387 3.619 505 HB2 LYS 63 HB2 LYS 63 13.887 -2.772 4.037 506 HB3 LYS 63 HB3 LYS 63 14.349 -1.131 3.619 507 HG2 LYS 63 HG2 LYS 63 14.685 -0.652 6.094 508 HG3 LYS 63 HG3 LYS 63 14.323 -2.356 6.429 509 HD2 LYS 63 HD2 LYS 63 16.187 -3.076 5.064 510 HD3 LYS 63 HD3 LYS 63 16.531 -1.405 4.560 511 HE2 LYS 63 HE2 LYS 63 17.244 -0.759 6.714 512 HE3 LYS 63 HE3 LYS 63 16.528 -2.189 7.480 513 HZ1 LYS 63 HZ1 LYS 63 18.143 -3.535 6.673 514 HZ2 LYS 63 HZ2 LYS 63 18.614 -2.526 5.469 515 HZ3 LYS 63 HZ3 LYS 63 19.028 -2.185 7.042 516 H GLU 64 H GLU 64 11.363 -3.543 4.182 517 HA GLU 64 HA GLU 64 9.969 -4.958 5.180 518 HB2 GLU 64 HB2 GLU 64 12.148 -4.575 7.269 519 HB3 GLU 64 HB3 GLU 64 10.922 -5.831 7.354 520 HG2 GLU 64 HG2 GLU 64 12.806 -6.863 6.431 521 HG3 GLU 64 HG3 GLU 64 11.617 -6.719 5.155 522 H SER 65 H SER 65 8.992 -2.229 5.427 523 HA SER 65 HA SER 65 7.932 -1.921 8.125 524 HB2 SER 65 HB2 SER 65 7.367 -0.513 5.478 525 HB3 SER 65 HB3 SER 65 6.566 -0.083 6.998 526 HG SER 65 HG SER 65 9.169 0.283 6.162 527 H THR 66 H THR 66 5.645 -1.818 8.636 528 HA THR 66 HA THR 66 3.980 -3.826 7.167 529 HB THR 66 HB THR 66 3.907 -3.083 10.124 530 HG1 THR 66 HG1 THR 66 5.663 -4.210 10.205 531 HG21 THR 66 HG21 THR 66 2.781 -5.447 8.551 532 HG22 THR 66 HG22 THR 66 2.658 -5.198 10.315 533 HG23 THR 66 HG23 THR 66 1.831 -4.088 9.207 534 H LEU 67 H LEU 67 2.493 -2.874 6.014 535 HA LEU 67 HA LEU 67 1.369 -0.235 6.822 536 HB2 LEU 67 HB2 LEU 67 1.687 -1.577 4.094 537 HB3 LEU 67 HB3 LEU 67 0.750 -0.130 4.404 538 HG LEU 67 HG LEU 67 3.008 0.785 5.474 539 HD11 LEU 67 HD11 LEU 67 5.000 0.050 4.178 540 HD12 LEU 67 HD12 LEU 67 4.381 -1.267 5.182 541 HD13 LEU 67 HD13 LEU 67 4.041 -1.250 3.445 542 HD21 LEU 67 HD21 LEU 67 2.543 0.573 2.479 543 HD22 LEU 67 HD22 LEU 67 1.800 1.746 3.573 544 HD23 LEU 67 HD23 LEU 67 3.552 1.780 3.290 545 H HIS 68 H HIS 68 -0.928 0.056 6.166 546 HA HIS 68 HA HIS 68 -2.518 -2.457 6.524 547 HB2 HIS 68 HB2 HIS 68 -2.451 0.059 8.053 548 HB3 HIS 68 HB3 HIS 68 -4.046 -0.266 7.426 549 HD1 HIS 68 HD1 HIS 68 -1.407 -2.091 9.679 550 HD2 HIS 68 HD2 HIS 68 -5.536 -1.882 8.761 551 HE1 HIS 68 HE1 HIS 68 -2.622 -3.331 11.515 552 H LEU 69 H LEU 69 -4.691 -2.382 5.715 553 HA LEU 69 HA LEU 69 -5.116 -0.666 3.320 554 HB2 LEU 69 HB2 LEU 69 -5.271 -3.612 3.749 555 HB3 LEU 69 HB3 LEU 69 -6.663 -2.934 2.929 556 HG LEU 69 HG LEU 69 -3.866 -2.258 1.989 557 HD11 LEU 69 HD11 LEU 69 -5.497 -4.693 1.174 558 HD12 LEU 69 HD12 LEU 69 -4.074 -4.080 0.309 559 HD13 LEU 69 HD13 LEU 69 -3.889 -4.670 1.955 560 HD21 LEU 69 HD21 LEU 69 -6.573 -2.432 0.562 561 HD22 LEU 69 HD22 LEU 69 -5.794 -0.934 1.101 562 HD23 LEU 69 HD23 LEU 69 -5.049 -1.904 -0.174 563 H VAL 70 H VAL 70 -6.987 0.491 3.398 564 HA VAL 70 HA VAL 70 -9.148 -0.289 5.267 565 HB VAL 70 HB VAL 70 -9.375 1.971 6.095 566 HG11 VAL 70 HG11 VAL 70 -7.446 2.181 7.519 567 HG12 VAL 70 HG12 VAL 70 -7.837 0.466 7.333 568 HG13 VAL 70 HG13 VAL 70 -6.463 1.167 6.448 569 HG21 VAL 70 HG21 VAL 70 -8.663 3.319 4.232 570 HG22 VAL 70 HG22 VAL 70 -7.643 3.722 5.615 571 HG23 VAL 70 HG23 VAL 70 -7.020 2.665 4.322 572 H LEU 71 H LEU 71 -11.129 1.274 4.760 573 HA LEU 71 HA LEU 71 -11.260 1.909 1.884 574 HB2 LEU 71 HB2 LEU 71 -13.271 0.560 1.586 575 HB3 LEU 71 HB3 LEU 71 -11.900 -0.419 2.041 576 HG LEU 71 HG LEU 71 -12.919 -0.204 4.505 577 HD11 LEU 71 HD11 LEU 71 -15.385 -0.297 4.493 578 HD12 LEU 71 HD12 LEU 71 -14.824 1.285 4.021 579 HD13 LEU 71 HD13 LEU 71 -15.404 0.146 2.774 580 HD21 LEU 71 HD21 LEU 71 -14.039 -2.027 2.339 581 HD22 LEU 71 HD22 LEU 71 -12.564 -2.264 3.311 582 HD23 LEU 71 HD23 LEU 71 -14.133 -2.306 4.102 583 H ARG 72 H ARG 72 -13.868 2.527 1.664 584 HA ARG 72 HA ARG 72 -14.985 4.087 3.794 585 HB2 ARG 72 HB2 ARG 72 -13.172 5.637 2.869 586 HB3 ARG 72 HB3 ARG 72 -13.865 5.393 1.290 587 HG2 ARG 72 HG2 ARG 72 -14.806 7.388 1.742 588 HG3 ARG 72 HG3 ARG 72 -16.082 6.395 2.416 589 HD2 ARG 72 HD2 ARG 72 -13.798 7.680 3.994 590 HD3 ARG 72 HD3 ARG 72 -15.394 8.357 3.799 591 HE ARG 72 HE ARG 72 -16.302 6.886 5.326 592 HH11 ARG 72 HH11 ARG 72 -12.884 6.028 4.815 593 HH12 ARG 72 HH12 ARG 72 -12.780 5.123 6.263 594 HH21 ARG 72 HH21 ARG 72 -16.177 5.675 7.142 595 HH22 ARG 72 HH22 ARG 72 -14.712 4.821 7.604 596 H LEU 73 H LEU 73 -17.279 4.219 3.225 597 HA LEU 73 HA LEU 73 -17.978 3.399 0.435 598 HB2 LEU 73 HB2 LEU 73 -18.849 2.171 3.067 599 HB3 LEU 73 HB3 LEU 73 -19.954 2.176 1.706 600 HG LEU 73 HG LEU 73 -17.170 0.969 1.557 601 HD11 LEU 73 HD11 LEU 73 -18.311 -1.198 1.778 602 HD12 LEU 73 HD12 LEU 73 -18.581 -0.204 3.207 603 HD13 LEU 73 HD13 LEU 73 -19.873 -0.377 2.000 604 HD21 LEU 73 HD21 LEU 73 -18.177 -0.211 -0.412 605 HD22 LEU 73 HD22 LEU 73 -19.602 0.837 -0.283 606 HD23 LEU 73 HD23 LEU 73 -18.003 1.526 -0.664 607 H ARG 74 H ARG 74 -19.276 4.716 -0.408 608 HA ARG 74 HA ARG 74 -21.077 6.411 1.192 609 HB2 ARG 74 HB2 ARG 74 -19.745 7.287 -1.371 610 HB3 ARG 74 HB3 ARG 74 -20.950 8.181 -0.456 611 HG2 ARG 74 HG2 ARG 74 -18.097 7.588 0.327 612 HG3 ARG 74 HG3 ARG 74 -18.858 9.138 0.059 613 HD2 ARG 74 HD2 ARG 74 -18.932 7.358 2.472 614 HD3 ARG 74 HD3 ARG 74 -18.601 9.074 2.364 615 HE ARG 74 HE ARG 74 -21.046 7.850 3.044 616 HH11 ARG 74 HH11 ARG 74 -20.042 10.562 0.930 617 HH12 ARG 74 HH12 ARG 74 -21.436 11.493 1.314 618 HH21 ARG 74 HH21 ARG 74 -22.899 9.073 3.429 619 HH22 ARG 74 HH22 ARG 74 -23.135 10.610 2.699 620 H GLY 75 H GLY 75 -21.205 3.724 -0.601 621 HA2 GLY 75 HA2 GLY 75 -23.389 4.402 -2.394 622 HA3 GLY 75 HA3 GLY 75 -22.735 2.806 -2.054 623 H GLY 76 H GLY 76 -24.069 5.104 0.366 624 HA2 GLY 76 HA2 GLY 76 -26.655 3.925 0.584 625 HA3 GLY 76 HA3 GLY 76 -25.553 3.376 1.868 Start of MODEL 3 1 H1 MET 1 H MET 1 15.610 -4.753 -0.808 2 HA MET 1 HA MET 1 14.060 -4.243 1.103 3 HB2 MET 1 HB2 MET 1 14.893 -2.395 -0.197 4 HB3 MET 1 HB3 MET 1 13.677 -2.660 -1.449 5 HG2 MET 1 HG2 MET 1 11.870 -2.187 0.154 6 HG3 MET 1 HG3 MET 1 13.053 -2.041 1.454 7 HE1 MET 1 HE1 MET 1 11.191 0.055 1.586 8 HE2 MET 1 HE2 MET 1 12.745 0.382 2.373 9 HE3 MET 1 HE3 MET 1 12.013 1.619 1.343 10 H GLN 2 H GLN 2 12.262 -5.328 1.901 11 HA GLN 2 HA GLN 2 10.006 -5.621 -0.004 12 HB2 GLN 2 HB2 GLN 2 9.385 -7.674 1.169 13 HB3 GLN 2 HB3 GLN 2 10.939 -7.818 0.339 14 HG2 GLN 2 HG2 GLN 2 12.164 -7.825 2.358 15 HG3 GLN 2 HG3 GLN 2 10.838 -7.116 3.278 16 HE21 GLN 2 HE21 GLN 2 10.030 -10.319 4.520 17 HE22 GLN 2 HE22 GLN 2 10.322 -8.606 4.779 18 H ILE 3 H ILE 3 7.920 -5.607 1.051 19 HA ILE 3 HA ILE 3 7.848 -4.303 3.703 20 HB ILE 3 HB ILE 3 6.139 -2.691 2.976 21 HG12 ILE 3 HG12 ILE 3 6.932 -3.378 0.111 22 HG13 ILE 3 HG13 ILE 3 5.439 -3.899 0.890 23 HG21 ILE 3 HG21 ILE 3 8.784 -2.288 1.524 24 HG22 ILE 3 HG22 ILE 3 7.682 -1.029 2.118 25 HG23 ILE 3 HG23 ILE 3 8.534 -2.065 3.262 26 HD11 ILE 3 HD11 ILE 3 6.232 -1.015 0.331 27 HD12 ILE 3 HD12 ILE 3 4.965 -1.969 -0.452 28 HD13 ILE 3 HD13 ILE 3 4.800 -1.516 1.256 29 H PHE 4 H PHE 4 5.489 -4.307 4.493 30 HA PHE 4 HA PHE 4 4.115 -6.779 3.628 31 HB2 PHE 4 HB2 PHE 4 4.442 -5.654 6.431 32 HB3 PHE 4 HB3 PHE 4 3.443 -7.030 6.007 33 HD1 PHE 4 HD1 PHE 4 4.789 -8.971 4.641 34 HD2 PHE 4 HD2 PHE 4 6.484 -6.153 7.449 35 HE1 PHE 4 HE1 PHE 4 6.632 -10.545 5.116 36 HE2 PHE 4 HE2 PHE 4 8.316 -7.753 7.934 37 HZ PHE 4 HZ PHE 4 8.401 -9.946 6.752 38 H VAL 5 H VAL 5 1.799 -6.666 3.852 39 HA VAL 5 HA VAL 5 0.663 -3.995 4.489 40 HB VAL 5 HB VAL 5 -0.054 -5.546 1.966 41 HG11 VAL 5 HG11 VAL 5 -1.032 -2.871 3.058 42 HG12 VAL 5 HG12 VAL 5 -1.409 -3.523 1.450 43 HG13 VAL 5 HG13 VAL 5 -1.988 -4.362 2.894 44 HG21 VAL 5 HG21 VAL 5 0.856 -3.608 0.738 45 HG22 VAL 5 HG22 VAL 5 1.399 -2.893 2.271 46 HG23 VAL 5 HG23 VAL 5 2.116 -4.393 1.682 47 H LYS 6 H LYS 6 -0.975 -4.234 5.886 48 HA LYS 6 HA LYS 6 -2.050 -6.957 6.387 49 HB2 LYS 6 HB2 LYS 6 -1.276 -5.501 8.313 50 HB3 LYS 6 HB3 LYS 6 -2.502 -4.320 7.868 51 HG2 LYS 6 HG2 LYS 6 -3.346 -5.641 9.704 52 HG3 LYS 6 HG3 LYS 6 -4.291 -5.995 8.281 53 HD2 LYS 6 HD2 LYS 6 -3.803 -8.017 9.631 54 HD3 LYS 6 HD3 LYS 6 -3.230 -8.131 7.996 55 HE2 LYS 6 HE2 LYS 6 -1.590 -9.113 9.411 56 HE3 LYS 6 HE3 LYS 6 -0.908 -7.639 8.738 57 HZ1 LYS 6 HZ1 LYS 6 -1.982 -8.004 11.476 58 HZ2 LYS 6 HZ2 LYS 6 -0.400 -7.798 11.053 59 HZ3 LYS 6 HZ3 LYS 6 -1.448 -6.564 10.899 60 H THR 7 H THR 7 -3.871 -7.500 5.211 61 HA THR 7 HA THR 7 -5.219 -5.485 3.631 62 HB THR 7 HB THR 7 -6.612 -7.363 2.889 63 HG1 THR 7 HG1 THR 7 -6.904 -9.044 3.993 64 HG21 THR 7 HG21 THR 7 -4.318 -7.232 1.914 65 HG22 THR 7 HG22 THR 7 -3.763 -8.390 3.150 66 HG23 THR 7 HG23 THR 7 -4.989 -8.875 1.962 67 H LEU 8 H LEU 8 -7.591 -5.307 3.654 68 HA LEU 8 HA LEU 8 -8.544 -4.480 6.218 69 HB2 LEU 8 HB2 LEU 8 -10.377 -3.688 5.132 70 HB3 LEU 8 HB3 LEU 8 -9.203 -3.654 3.833 71 HG LEU 8 HG LEU 8 -11.370 -5.788 4.247 72 HD11 LEU 8 HD11 LEU 8 -12.443 -4.712 2.309 73 HD12 LEU 8 HD12 LEU 8 -12.287 -3.598 3.675 74 HD13 LEU 8 HD13 LEU 8 -11.167 -3.464 2.302 75 HD21 LEU 8 HD21 LEU 8 -10.932 -6.610 2.044 76 HD22 LEU 8 HD22 LEU 8 -9.733 -5.355 1.737 77 HD23 LEU 8 HD23 LEU 8 -9.394 -6.657 2.913 78 H THR 9 H THR 9 -8.338 -7.583 4.879 79 HA THR 9 HA THR 9 -10.577 -8.773 6.368 80 HB THR 9 HB THR 9 -9.593 -10.809 5.007 81 HG1 THR 9 HG1 THR 9 -8.656 -10.232 3.099 82 HG21 THR 9 HG21 THR 9 -11.071 -8.517 3.650 83 HG22 THR 9 HG22 THR 9 -10.992 -10.198 3.059 84 HG23 THR 9 HG23 THR 9 -11.798 -9.832 4.592 85 H GLY 10 H GLY 10 -7.211 -8.121 6.818 86 HA2 GLY 10 HA2 GLY 10 -6.127 -8.524 8.803 87 HA3 GLY 10 HA3 GLY 10 -7.092 -9.965 9.099 88 H LYS 11 H LYS 11 -5.968 -9.951 5.851 89 HA LYS 11 HA LYS 11 -4.025 -12.051 6.519 90 HB2 LYS 11 HB2 LYS 11 -5.340 -11.019 3.983 91 HB3 LYS 11 HB3 LYS 11 -3.740 -11.661 3.809 92 HG2 LYS 11 HG2 LYS 11 -5.133 -13.600 5.369 93 HG3 LYS 11 HG3 LYS 11 -6.261 -13.056 4.133 94 HD2 LYS 11 HD2 LYS 11 -5.074 -14.900 3.218 95 HD3 LYS 11 HD3 LYS 11 -4.443 -13.465 2.398 96 HE2 LYS 11 HE2 LYS 11 -2.462 -13.474 3.902 97 HE3 LYS 11 HE3 LYS 11 -3.126 -14.875 4.762 98 HZ1 LYS 11 HZ1 LYS 11 -2.314 -14.856 1.912 99 HZ2 LYS 11 HZ2 LYS 11 -1.490 -15.547 3.146 100 HZ3 LYS 11 HZ3 LYS 11 -2.966 -16.122 2.692 101 H THR 12 H THR 12 -1.754 -11.902 5.488 102 HA THR 12 HA THR 12 -0.863 -9.076 5.408 103 HB THR 12 HB THR 12 0.595 -11.487 6.533 104 HG1 THR 12 HG1 THR 12 0.225 -10.250 8.506 105 HG21 THR 12 HG21 THR 12 2.100 -9.716 5.598 106 HG22 THR 12 HG22 THR 12 1.270 -8.500 6.599 107 HG23 THR 12 HG23 THR 12 2.207 -9.818 7.352 108 H ILE 13 H ILE 13 0.231 -8.527 3.673 109 HA ILE 13 HA ILE 13 0.798 -10.548 1.570 110 HB ILE 13 HB ILE 13 0.581 -7.540 1.239 111 HG12 ILE 13 HG12 ILE 13 -1.605 -8.150 2.100 112 HG13 ILE 13 HG13 ILE 13 -1.706 -7.728 0.406 113 HG21 ILE 13 HG21 ILE 13 1.669 -8.591 -0.634 114 HG22 ILE 13 HG22 ILE 13 0.406 -9.828 -0.752 115 HG23 ILE 13 HG23 ILE 13 0.043 -8.136 -1.144 116 HD11 ILE 13 HD11 ILE 13 -1.684 -10.589 1.485 117 HD12 ILE 13 HD12 ILE 13 -3.101 -9.690 0.919 118 HD13 ILE 13 HD13 ILE 13 -1.826 -10.100 -0.220 119 H THR 14 H THR 14 2.902 -10.212 0.468 120 HA THR 14 HA THR 14 4.895 -8.574 1.877 121 HB THR 14 HB THR 14 5.400 -11.426 0.940 122 HG1 THR 14 HG1 THR 14 4.058 -11.375 2.767 123 HG21 THR 14 HG21 THR 14 7.501 -11.168 2.211 124 HG22 THR 14 HG22 THR 14 7.391 -9.937 0.950 125 HG23 THR 14 HG23 THR 14 7.060 -9.500 2.639 126 H LEU 15 H LEU 15 6.124 -7.448 0.339 127 HA LEU 15 HA LEU 15 5.931 -8.209 -2.495 128 HB2 LEU 15 HB2 LEU 15 5.165 -5.472 -1.360 129 HB3 LEU 15 HB3 LEU 15 5.557 -5.760 -3.044 130 HG LEU 15 HG LEU 15 3.174 -6.977 -1.590 131 HD11 LEU 15 HD11 LEU 15 3.517 -4.636 -3.500 132 HD12 LEU 15 HD12 LEU 15 1.953 -5.401 -3.167 133 HD13 LEU 15 HD13 LEU 15 2.858 -4.621 -1.857 134 HD21 LEU 15 HD21 LEU 15 4.111 -7.168 -4.479 135 HD22 LEU 15 HD22 LEU 15 3.831 -8.494 -3.331 136 HD23 LEU 15 HD23 LEU 15 2.455 -7.573 -3.943 137 H GLU 16 H GLU 16 7.638 -7.398 -3.663 138 HA GLU 16 HA GLU 16 9.987 -6.436 -2.166 139 HB2 GLU 16 HB2 GLU 16 10.197 -8.534 -3.395 140 HB3 GLU 16 HB3 GLU 16 9.589 -7.760 -4.876 141 HG2 GLU 16 HG2 GLU 16 11.530 -6.346 -5.033 142 HG3 GLU 16 HG3 GLU 16 12.077 -6.826 -3.415 143 H VAL 17 H VAL 17 10.363 -4.290 -2.352 144 HA VAL 17 HA VAL 17 9.413 -2.786 -4.711 145 HB VAL 17 HB VAL 17 8.536 -1.025 -3.242 146 HG11 VAL 17 HG11 VAL 17 6.984 -2.850 -3.934 147 HG12 VAL 17 HG12 VAL 17 7.301 -3.683 -2.401 148 HG13 VAL 17 HG13 VAL 17 6.532 -2.089 -2.398 149 HG21 VAL 17 HG21 VAL 17 9.171 -2.868 -0.892 150 HG22 VAL 17 HG22 VAL 17 9.984 -1.333 -1.263 151 HG23 VAL 17 HG23 VAL 17 8.280 -1.332 -0.819 152 H GLU 18 H GLU 18 10.361 -0.271 -4.027 153 HA GLU 18 HA GLU 18 13.068 -0.541 -3.021 154 HB2 GLU 18 HB2 GLU 18 14.080 0.452 -5.084 155 HB3 GLU 18 HB3 GLU 18 13.498 -1.201 -5.180 156 HG2 GLU 18 HG2 GLU 18 11.436 -0.363 -6.379 157 HG3 GLU 18 HG3 GLU 18 12.211 1.233 -6.438 158 HA PRO 19 HA PRO 19 12.344 3.380 -1.355 159 HB2 PRO 19 HB2 PRO 19 14.898 4.424 -2.571 160 HB3 PRO 19 HB3 PRO 19 14.334 4.539 -0.876 161 HG2 PRO 19 HG2 PRO 19 16.173 2.683 -1.539 162 HG3 PRO 19 HG3 PRO 19 14.804 2.213 -0.490 163 HD2 PRO 19 HD2 PRO 19 15.119 1.833 -3.489 164 HD3 PRO 19 HD3 PRO 19 14.652 0.628 -2.253 165 H SER 20 H SER 20 13.112 3.397 -4.808 166 HA SER 20 HA SER 20 11.638 5.965 -5.133 167 HB2 SER 20 HB2 SER 20 13.709 4.639 -6.909 168 HB3 SER 20 HB3 SER 20 12.909 6.203 -7.174 169 HG SER 20 HG SER 20 14.191 7.108 -5.842 170 H ASP 21 H ASP 21 10.353 3.354 -4.766 171 HA ASP 21 HA ASP 21 9.210 2.629 -7.403 172 HB2 ASP 21 HB2 ASP 21 9.978 1.088 -5.433 173 HB3 ASP 21 HB3 ASP 21 8.498 1.586 -4.626 174 H THR 22 H THR 22 7.152 3.625 -7.971 175 HA THR 22 HA THR 22 6.167 5.698 -6.171 176 HB THR 22 HB THR 22 4.394 5.979 -7.922 177 HG1 THR 22 HG1 THR 22 5.752 4.519 -9.791 178 HG21 THR 22 HG21 THR 22 6.354 7.375 -8.018 179 HG22 THR 22 HG22 THR 22 7.272 6.125 -8.872 180 HG23 THR 22 HG23 THR 22 5.885 6.907 -9.657 181 H ILE 23 H ILE 23 3.941 5.893 -5.460 182 HA ILE 23 HA ILE 23 3.007 3.508 -4.155 183 HB ILE 23 HB ILE 23 1.684 6.161 -4.709 184 HG12 ILE 23 HG12 ILE 23 3.653 6.235 -3.193 185 HG13 ILE 23 HG13 ILE 23 2.148 6.738 -2.436 186 HG21 ILE 23 HG21 ILE 23 -0.186 4.730 -4.385 187 HG22 ILE 23 HG22 ILE 23 0.607 3.846 -3.070 188 HG23 ILE 23 HG23 ILE 23 0.068 5.521 -2.825 189 HD11 ILE 23 HD11 ILE 23 3.625 5.313 -0.995 190 HD12 ILE 23 HD12 ILE 23 1.962 4.723 -1.170 191 HD13 ILE 23 HD13 ILE 23 3.264 3.946 -2.070 192 H GLU 24 H GLU 24 2.335 4.952 -7.311 193 HA GLU 24 HA GLU 24 -0.030 3.614 -7.980 194 HB2 GLU 24 HB2 GLU 24 0.920 5.448 -9.248 195 HB3 GLU 24 HB3 GLU 24 2.333 4.491 -9.701 196 HG2 GLU 24 HG2 GLU 24 1.118 3.150 -11.196 197 HG3 GLU 24 HG3 GLU 24 -0.431 3.491 -10.397 198 H ASN 25 H ASN 25 3.342 2.486 -8.062 199 HA ASN 25 HA ASN 25 2.734 -0.061 -9.382 200 HB2 ASN 25 HB2 ASN 25 5.171 1.074 -7.958 201 HB3 ASN 25 HB3 ASN 25 5.055 -0.626 -8.422 202 HD21 ASN 25 HD21 ASN 25 5.406 2.078 -11.451 203 HD22 ASN 25 HD22 ASN 25 4.678 2.661 -9.955 204 H VAL 26 H VAL 26 3.779 0.919 -6.104 205 HA VAL 26 HA VAL 26 3.576 -1.529 -4.826 206 HB VAL 26 HB VAL 26 3.172 1.305 -3.784 207 HG11 VAL 26 HG11 VAL 26 3.863 0.399 -1.565 208 HG12 VAL 26 HG12 VAL 26 2.278 -0.175 -2.108 209 HG13 VAL 26 HG13 VAL 26 3.693 -1.252 -2.237 210 HG21 VAL 26 HG21 VAL 26 5.534 1.097 -3.072 211 HG22 VAL 26 HG22 VAL 26 5.620 -0.511 -3.800 212 HG23 VAL 26 HG23 VAL 26 5.403 0.906 -4.823 213 H LYS 27 H LYS 27 0.940 0.903 -5.127 214 HA LYS 27 HA LYS 27 -0.920 -0.724 -3.624 215 HB2 LYS 27 HB2 LYS 27 -0.932 1.714 -3.587 216 HB3 LYS 27 HB3 LYS 27 -1.258 1.783 -5.308 217 HG2 LYS 27 HG2 LYS 27 -3.450 0.664 -4.921 218 HG3 LYS 27 HG3 LYS 27 -3.061 0.584 -3.192 219 HD2 LYS 27 HD2 LYS 27 -4.586 2.398 -3.558 220 HD3 LYS 27 HD3 LYS 27 -3.007 3.123 -3.195 221 HE2 LYS 27 HE2 LYS 27 -2.606 3.569 -5.557 222 HE3 LYS 27 HE3 LYS 27 -3.978 2.578 -6.039 223 HZ1 LYS 27 HZ1 LYS 27 -5.475 4.164 -5.228 224 HZ2 LYS 27 HZ2 LYS 27 -4.314 5.028 -4.423 225 HZ3 LYS 27 HZ3 LYS 27 -4.348 4.992 -6.087 226 H ALA 28 H ALA 28 0.182 -0.862 -6.903 227 HA ALA 28 HA ALA 28 -2.271 -2.180 -7.878 228 HB1 ALA 28 HB1 ALA 28 -1.006 -2.354 -10.003 229 HB2 ALA 28 HB2 ALA 28 -1.202 -0.689 -9.425 230 HB3 ALA 28 HB3 ALA 28 0.366 -1.522 -9.244 231 H LYS 29 H LYS 29 1.164 -2.914 -7.078 232 HA LYS 29 HA LYS 29 1.243 -5.628 -7.753 233 HB2 LYS 29 HB2 LYS 29 2.576 -4.071 -5.511 234 HB3 LYS 29 HB3 LYS 29 2.818 -5.806 -5.724 235 HG2 LYS 29 HG2 LYS 29 3.687 -5.395 -8.026 236 HG3 LYS 29 HG3 LYS 29 3.613 -3.651 -7.697 237 HD2 LYS 29 HD2 LYS 29 5.055 -4.042 -5.662 238 HD3 LYS 29 HD3 LYS 29 5.223 -5.737 -6.124 239 HE2 LYS 29 HE2 LYS 29 6.063 -3.376 -7.858 240 HE3 LYS 29 HE3 LYS 29 7.148 -4.222 -6.755 241 HZ1 LYS 29 HZ1 LYS 29 5.847 -6.043 -8.514 242 HZ2 LYS 29 HZ2 LYS 29 6.690 -4.874 -9.329 243 HZ3 LYS 29 HZ3 LYS 29 7.449 -5.805 -8.207 244 H ILE 30 H ILE 30 -0.117 -4.162 -4.752 245 HA ILE 30 HA ILE 30 -0.575 -6.689 -3.490 246 HB ILE 30 HB ILE 30 -2.297 -5.505 -2.125 247 HG12 ILE 30 HG12 ILE 30 -1.406 -3.038 -3.671 248 HG13 ILE 30 HG13 ILE 30 -2.977 -3.823 -3.883 249 HG21 ILE 30 HG21 ILE 30 0.155 -5.641 -1.559 250 HG22 ILE 30 HG22 ILE 30 0.338 -3.999 -2.237 251 HG23 ILE 30 HG23 ILE 30 -0.706 -4.290 -0.835 252 HD11 ILE 30 HD11 ILE 30 -3.561 -3.310 -1.547 253 HD12 ILE 30 HD12 ILE 30 -1.985 -2.502 -1.325 254 HD13 ILE 30 HD13 ILE 30 -3.159 -1.845 -2.459 255 H GLN 31 H GLN 31 -2.366 -5.127 -6.132 256 HA GLN 31 HA GLN 31 -4.738 -6.777 -5.847 257 HB2 GLN 31 HB2 GLN 31 -3.845 -5.285 -8.337 258 HB3 GLN 31 HB3 GLN 31 -5.464 -5.735 -7.818 259 HG2 GLN 31 HG2 GLN 31 -5.249 -4.081 -5.925 260 HG3 GLN 31 HG3 GLN 31 -3.680 -3.608 -6.556 261 HE21 GLN 31 HE21 GLN 31 -6.906 -2.694 -8.977 262 HE22 GLN 31 HE22 GLN 31 -6.809 -4.299 -8.268 263 H ASP 32 H ASP 32 -1.587 -7.096 -7.219 264 HA ASP 32 HA ASP 32 -2.303 -9.157 -9.213 265 HB2 ASP 32 HB2 ASP 32 -0.611 -7.306 -9.600 266 HB3 ASP 32 HB3 ASP 32 0.400 -8.033 -8.349 267 H LYS 33 H LYS 33 -1.151 -8.735 -5.970 268 HA LYS 33 HA LYS 33 -0.344 -11.551 -5.650 269 HB2 LYS 33 HB2 LYS 33 0.991 -9.432 -4.936 270 HB3 LYS 33 HB3 LYS 33 -0.166 -9.295 -3.617 271 HG2 LYS 33 HG2 LYS 33 1.889 -10.349 -2.900 272 HG3 LYS 33 HG3 LYS 33 0.572 -11.514 -2.769 273 HD2 LYS 33 HD2 LYS 33 1.334 -12.768 -4.637 274 HD3 LYS 33 HD3 LYS 33 2.365 -11.448 -5.228 275 HE2 LYS 33 HE2 LYS 33 3.796 -11.648 -3.220 276 HE3 LYS 33 HE3 LYS 33 2.766 -12.946 -2.607 277 HZ1 LYS 33 HZ1 LYS 33 4.804 -13.667 -3.656 278 HZ2 LYS 33 HZ2 LYS 33 3.483 -14.355 -4.357 279 HZ3 LYS 33 HZ3 LYS 33 4.326 -13.126 -5.113 280 H GLU 34 H GLU 34 -3.133 -9.478 -4.896 281 HA GLU 34 HA GLU 34 -4.460 -11.689 -3.508 282 HB2 GLU 34 HB2 GLU 34 -3.348 -9.889 -1.890 283 HB3 GLU 34 HB3 GLU 34 -4.572 -8.814 -2.519 284 HG2 GLU 34 HG2 GLU 34 -5.561 -9.564 -0.585 285 HG3 GLU 34 HG3 GLU 34 -6.298 -10.628 -1.776 286 H GLY 35 H GLY 35 -6.782 -11.535 -3.993 287 HA2 GLY 35 HA2 GLY 35 -7.391 -10.040 -6.396 288 HA3 GLY 35 HA3 GLY 35 -8.462 -11.122 -5.498 289 H ILE 36 H ILE 36 -7.145 -7.816 -5.568 290 HA ILE 36 HA ILE 36 -9.622 -6.869 -4.208 291 HB ILE 36 HB ILE 36 -8.182 -5.100 -3.105 292 HG12 ILE 36 HG12 ILE 36 -5.973 -7.175 -3.539 293 HG13 ILE 36 HG13 ILE 36 -6.029 -5.591 -4.299 294 HG21 ILE 36 HG21 ILE 36 -7.916 -7.982 -2.139 295 HG22 ILE 36 HG22 ILE 36 -7.937 -6.512 -1.140 296 HG23 ILE 36 HG23 ILE 36 -9.391 -7.002 -2.003 297 HD11 ILE 36 HD11 ILE 36 -5.706 -6.153 -1.331 298 HD12 ILE 36 HD12 ILE 36 -4.506 -5.528 -2.463 299 HD13 ILE 36 HD13 ILE 36 -5.904 -4.531 -2.042 300 HA PRO 37 HA PRO 37 -9.669 -4.741 -8.201 301 HB2 PRO 37 HB2 PRO 37 -12.067 -3.455 -6.889 302 HB3 PRO 37 HB3 PRO 37 -11.926 -4.151 -8.525 303 HG2 PRO 37 HG2 PRO 37 -13.206 -5.469 -6.539 304 HG3 PRO 37 HG3 PRO 37 -12.165 -6.338 -7.704 305 HD2 PRO 37 HD2 PRO 37 -11.526 -5.475 -4.879 306 HD3 PRO 37 HD3 PRO 37 -11.108 -6.995 -5.727 307 HA PRO 38 HA PRO 38 -8.318 -0.594 -6.820 308 HB2 PRO 38 HB2 PRO 38 -8.005 0.687 -9.210 309 HB3 PRO 38 HB3 PRO 38 -6.982 -0.693 -8.768 310 HG2 PRO 38 HG2 PRO 38 -9.269 -0.614 -10.675 311 HG3 PRO 38 HG3 PRO 38 -7.802 -1.617 -10.723 312 HD2 PRO 38 HD2 PRO 38 -10.367 -2.417 -9.756 313 HD3 PRO 38 HD3 PRO 38 -8.839 -3.319 -9.614 314 H ASP 39 H ASP 39 -10.781 -1.030 -6.148 315 HA ASP 39 HA ASP 39 -12.357 1.396 -6.655 316 HB2 ASP 39 HB2 ASP 39 -13.112 -1.450 -7.308 317 HB3 ASP 39 HB3 ASP 39 -14.256 -0.589 -6.298 318 H GLN 40 H GLN 40 -13.165 2.007 -4.717 319 HA GLN 40 HA GLN 40 -13.146 2.276 -2.471 320 HB2 GLN 40 HB2 GLN 40 -14.506 0.645 -1.270 321 HB3 GLN 40 HB3 GLN 40 -15.197 1.097 -2.816 322 HG2 GLN 40 HG2 GLN 40 -14.550 -1.006 -3.828 323 HG3 GLN 40 HG3 GLN 40 -13.639 -1.479 -2.395 324 HE21 GLN 40 HE21 GLN 40 -17.208 -2.934 -2.614 325 HE22 GLN 40 HE22 GLN 40 -16.158 -2.536 -3.964 326 H ASN 41 H ASN 41 -10.498 1.950 -3.020 327 HA ASN 41 HA ASN 41 -9.594 0.503 -0.619 328 HB2 ASN 41 HB2 ASN 41 -9.474 -0.977 -2.773 329 HB3 ASN 41 HB3 ASN 41 -8.150 0.093 -3.253 330 HD21 ASN 41 HD21 ASN 41 -6.693 -2.844 -1.454 331 HD22 ASN 41 HD22 ASN 41 -7.451 -2.498 -2.997 332 H ARG 42 H ARG 42 -7.580 1.350 0.215 333 HA ARG 42 HA ARG 42 -6.231 3.527 -1.169 334 HB2 ARG 42 HB2 ARG 42 -8.313 4.476 0.080 335 HB3 ARG 42 HB3 ARG 42 -7.467 4.081 1.569 336 HG2 ARG 42 HG2 ARG 42 -5.598 5.551 0.945 337 HG3 ARG 42 HG3 ARG 42 -6.349 5.903 -0.624 338 HD2 ARG 42 HD2 ARG 42 -7.710 6.471 2.053 339 HD3 ARG 42 HD3 ARG 42 -6.685 7.647 1.202 340 HE ARG 42 HE ARG 42 -8.564 6.705 -0.672 341 HH11 ARG 42 HH11 ARG 42 -8.602 8.567 2.339 342 HH12 ARG 42 HH12 ARG 42 -9.791 9.710 1.806 343 HH21 ARG 42 HH21 ARG 42 -10.304 8.036 -1.326 344 HH22 ARG 42 HH22 ARG 42 -10.856 9.316 -0.322 345 H LEU 43 H LEU 43 -4.092 3.527 -0.534 346 HA LEU 43 HA LEU 43 -3.204 1.592 1.463 347 HB2 LEU 43 HB2 LEU 43 -2.208 1.721 -0.816 348 HB3 LEU 43 HB3 LEU 43 -1.700 3.382 -0.488 349 HG LEU 43 HG LEU 43 -0.223 2.557 1.344 350 HD11 LEU 43 HD11 LEU 43 0.290 0.103 1.440 351 HD12 LEU 43 HD12 LEU 43 -1.333 0.474 2.006 352 HD13 LEU 43 HD13 LEU 43 -1.082 -0.204 0.375 353 HD21 LEU 43 HD21 LEU 43 1.472 1.562 -0.133 354 HD22 LEU 43 HD22 LEU 43 0.225 1.185 -1.342 355 HD23 LEU 43 HD23 LEU 43 0.620 2.873 -0.959 356 H ILE 44 H ILE 44 -2.278 2.093 3.461 357 HA ILE 44 HA ILE 44 -1.817 4.957 4.140 358 HB ILE 44 HB ILE 44 -3.015 2.787 5.906 359 HG12 ILE 44 HG12 ILE 44 -4.712 3.144 4.217 360 HG13 ILE 44 HG13 ILE 44 -5.209 3.730 5.781 361 HG21 ILE 44 HG21 ILE 44 -3.672 4.612 7.420 362 HG22 ILE 44 HG22 ILE 44 -1.944 4.542 7.199 363 HG23 ILE 44 HG23 ILE 44 -2.877 5.791 6.358 364 HD11 ILE 44 HD11 ILE 44 -4.637 6.081 5.033 365 HD12 ILE 44 HD12 ILE 44 -4.384 5.426 3.408 366 HD13 ILE 44 HD13 ILE 44 -5.963 5.326 4.156 367 H PHE 45 H PHE 45 -0.072 5.323 5.591 368 HA PHE 45 HA PHE 45 1.370 3.003 6.737 369 HB2 PHE 45 HB2 PHE 45 2.670 3.529 4.714 370 HB3 PHE 45 HB3 PHE 45 2.753 5.222 5.189 371 HD1 PHE 45 HD1 PHE 45 3.409 1.842 6.850 372 HD2 PHE 45 HD2 PHE 45 4.794 5.900 6.194 373 HE1 PHE 45 HE1 PHE 45 5.395 1.395 8.206 374 HE2 PHE 45 HE2 PHE 45 6.786 5.414 7.554 375 HZ PHE 45 HZ PHE 45 7.116 3.168 8.548 376 H ALA 46 H ALA 46 1.748 3.415 8.856 377 HA ALA 46 HA ALA 46 1.609 4.426 10.859 378 HB1 ALA 46 HB1 ALA 46 3.829 5.172 10.080 379 HB2 ALA 46 HB2 ALA 46 3.102 6.664 9.439 380 HB3 ALA 46 HB3 ALA 46 3.076 6.336 11.180 381 H GLY 47 H GLY 47 -0.762 4.717 9.355 382 HA2 GLY 47 HA2 GLY 47 -2.821 5.719 9.727 383 HA3 GLY 47 HA3 GLY 47 -2.030 6.886 10.788 384 H LYS 48 H LYS 48 -0.238 7.234 8.080 385 HA LYS 48 HA LYS 48 -1.805 9.531 7.124 386 HB2 LYS 48 HB2 LYS 48 1.032 8.857 7.408 387 HB3 LYS 48 HB3 LYS 48 0.685 9.371 5.761 388 HG2 LYS 48 HG2 LYS 48 0.070 10.945 8.299 389 HG3 LYS 48 HG3 LYS 48 1.410 11.167 7.176 390 HD2 LYS 48 HD2 LYS 48 -0.455 11.526 5.360 391 HD3 LYS 48 HD3 LYS 48 -1.516 11.784 6.735 392 HE2 LYS 48 HE2 LYS 48 -0.693 13.925 5.939 393 HE3 LYS 48 HE3 LYS 48 -0.060 13.609 7.553 394 HZ1 LYS 48 HZ1 LYS 48 1.614 14.501 6.094 395 HZ2 LYS 48 HZ2 LYS 48 2.053 12.993 6.537 396 HZ3 LYS 48 HZ3 LYS 48 1.428 13.270 5.020 397 H GLN 49 H GLN 49 -2.777 9.579 5.201 398 HA GLN 49 HA GLN 49 -3.099 7.158 3.657 399 HB2 GLN 49 HB2 GLN 49 -3.891 10.069 3.129 400 HB3 GLN 49 HB3 GLN 49 -4.368 8.709 2.123 401 HG2 GLN 49 HG2 GLN 49 -6.175 9.450 3.547 402 HG3 GLN 49 HG3 GLN 49 -5.750 7.781 3.861 403 HE21 GLN 49 HE21 GLN 49 -5.014 10.655 6.758 404 HE22 GLN 49 HE22 GLN 49 -4.799 11.083 5.071 405 H LEU 50 H LEU 50 -2.151 6.587 1.752 406 HA LEU 50 HA LEU 50 -0.118 8.426 0.596 407 HB2 LEU 50 HB2 LEU 50 -0.139 5.434 0.242 408 HB3 LEU 50 HB3 LEU 50 1.168 6.586 -0.015 409 HG LEU 50 HG LEU 50 0.120 5.531 2.644 410 HD11 LEU 50 HD11 LEU 50 2.343 4.517 2.787 411 HD12 LEU 50 HD12 LEU 50 1.572 4.024 1.279 412 HD13 LEU 50 HD13 LEU 50 2.829 5.276 1.269 413 HD21 LEU 50 HD21 LEU 50 1.909 6.777 3.753 414 HD22 LEU 50 HD22 LEU 50 2.398 7.499 2.206 415 HD23 LEU 50 HD23 LEU 50 0.844 7.916 2.935 416 H GLU 51 H GLU 51 -0.083 8.470 -1.731 417 HA GLU 51 HA GLU 51 -2.065 6.995 -3.232 418 HB2 GLU 51 HB2 GLU 51 -3.157 9.023 -4.134 419 HB3 GLU 51 HB3 GLU 51 -3.461 8.763 -2.428 420 HG2 GLU 51 HG2 GLU 51 -1.466 10.470 -2.058 421 HG3 GLU 51 HG3 GLU 51 -1.804 10.914 -3.739 422 H ASP 52 H ASP 52 -1.867 7.915 -5.655 423 HA ASP 52 HA ASP 52 0.881 7.428 -6.278 424 HB2 ASP 52 HB2 ASP 52 0.126 7.641 -8.626 425 HB3 ASP 52 HB3 ASP 52 -0.753 6.456 -7.672 426 H GLY 53 H GLY 53 2.165 8.668 -7.630 427 HA2 GLY 53 HA2 GLY 53 2.878 10.720 -8.602 428 HA3 GLY 53 HA3 GLY 53 1.960 11.619 -7.377 429 H ARG 54 H ARG 54 2.929 9.485 -5.317 430 HA ARG 54 HA ARG 54 5.608 10.685 -4.782 431 HB2 ARG 54 HB2 ARG 54 3.352 9.595 -3.073 432 HB3 ARG 54 HB3 ARG 54 4.972 9.785 -2.399 433 HG2 ARG 54 HG2 ARG 54 3.571 12.115 -3.761 434 HG3 ARG 54 HG3 ARG 54 3.288 11.710 -2.059 435 HD2 ARG 54 HD2 ARG 54 5.648 11.881 -1.561 436 HD3 ARG 54 HD3 ARG 54 6.028 12.261 -3.255 437 HE ARG 54 HE ARG 54 4.329 13.888 -1.416 438 HH11 ARG 54 HH11 ARG 54 6.913 13.872 -3.943 439 HH12 ARG 54 HH12 ARG 54 6.603 15.525 -4.348 440 HH21 ARG 54 HH21 ARG 54 4.077 16.114 -2.013 441 HH22 ARG 54 HH22 ARG 54 5.108 16.775 -3.242 442 H THR 55 H THR 55 7.081 9.287 -3.464 443 HA THR 55 HA THR 55 7.084 6.463 -4.384 444 HB THR 55 HB THR 55 9.540 6.690 -4.478 445 HG1 THR 55 HG1 THR 55 9.017 9.444 -3.884 446 HG21 THR 55 HG21 THR 55 9.761 8.039 -6.494 447 HG22 THR 55 HG22 THR 55 8.296 7.055 -6.561 448 HG23 THR 55 HG23 THR 55 8.186 8.798 -6.213 449 H LEU 56 H LEU 56 8.558 5.074 -3.007 450 HA LEU 56 HA LEU 56 7.677 4.955 -0.364 451 HB2 LEU 56 HB2 LEU 56 9.743 3.589 -1.992 452 HB3 LEU 56 HB3 LEU 56 10.234 3.764 -0.330 453 HG LEU 56 HG LEU 56 7.655 2.853 0.029 454 HD11 LEU 56 HD11 LEU 56 7.581 2.407 -2.504 455 HD12 LEU 56 HD12 LEU 56 8.828 1.197 -2.249 456 HD13 LEU 56 HD13 LEU 56 7.249 1.010 -1.458 457 HD21 LEU 56 HD21 LEU 56 8.665 0.714 0.606 458 HD22 LEU 56 HD22 LEU 56 10.144 1.155 -0.279 459 HD23 LEU 56 HD23 LEU 56 9.667 2.049 1.189 460 H SER 57 H SER 57 10.746 6.407 -1.547 461 HA SER 57 HA SER 57 11.695 7.022 1.059 462 HB2 SER 57 HB2 SER 57 13.004 6.852 -1.192 463 HB3 SER 57 HB3 SER 57 12.617 8.577 -1.358 464 HG SER 57 HG SER 57 13.874 9.010 0.333 465 H ASP 58 H ASP 58 9.464 8.823 -1.061 466 HA ASP 58 HA ASP 58 9.827 11.387 0.188 467 HB2 ASP 58 HB2 ASP 58 7.318 10.178 -1.046 468 HB3 ASP 58 HB3 ASP 58 7.504 11.852 -0.500 469 H TYR 59 H TYR 59 7.613 8.687 0.895 470 HA TYR 59 HA TYR 59 6.680 9.931 3.371 471 HB2 TYR 59 HB2 TYR 59 6.290 7.147 2.220 472 HB3 TYR 59 HB3 TYR 59 5.414 7.812 3.594 473 HD1 TYR 59 HD1 TYR 59 4.154 10.158 3.100 474 HD2 TYR 59 HD2 TYR 59 5.268 7.259 0.097 475 HE1 TYR 59 HE1 TYR 59 2.324 10.955 1.637 476 HE2 TYR 59 HE2 TYR 59 3.438 8.048 -1.337 477 HH TYR 59 HH TYR 59 1.777 10.029 -1.648 478 H ASN 60 H ASN 60 9.578 8.558 2.598 479 HA ASN 60 HA ASN 60 11.275 7.541 3.585 480 HB2 ASN 60 HB2 ASN 60 11.144 9.638 4.808 481 HB3 ASN 60 HB3 ASN 60 10.211 8.866 6.094 482 HD21 ASN 60 HD21 ASN 60 13.179 7.541 7.626 483 HD22 ASN 60 HD22 ASN 60 11.442 7.779 7.731 484 H ILE 61 H ILE 61 9.428 5.720 3.006 485 HA ILE 61 HA ILE 61 8.835 4.050 5.378 486 HB ILE 61 HB ILE 61 8.389 3.705 2.372 487 HG12 ILE 61 HG12 ILE 61 6.277 4.069 4.521 488 HG13 ILE 61 HG13 ILE 61 7.005 5.454 3.722 489 HG21 ILE 61 HG21 ILE 61 8.636 1.478 3.468 490 HG22 ILE 61 HG22 ILE 61 7.390 1.931 4.655 491 HG23 ILE 61 HG23 ILE 61 6.986 1.743 2.933 492 HD11 ILE 61 HD11 ILE 61 6.239 4.617 1.522 493 HD12 ILE 61 HD12 ILE 61 5.428 3.256 2.331 494 HD13 ILE 61 HD13 ILE 61 4.907 4.918 2.655 495 H GLN 62 H GLN 62 10.384 2.657 6.125 496 HA GLN 62 HA GLN 62 12.756 2.147 4.424 497 HB2 GLN 62 HB2 GLN 62 12.339 1.524 7.379 498 HB3 GLN 62 HB3 GLN 62 13.843 1.414 6.462 499 HG2 GLN 62 HG2 GLN 62 12.333 3.921 7.254 500 HG3 GLN 62 HG3 GLN 62 13.979 3.458 7.675 501 HE21 GLN 62 HE21 GLN 62 13.450 5.797 4.471 502 HE22 GLN 62 HE22 GLN 62 12.371 5.632 5.859 503 H LYS 63 H LYS 63 13.737 -0.160 4.928 504 HA LYS 63 HA LYS 63 11.918 -1.939 3.603 505 HB2 LYS 63 HB2 LYS 63 13.680 -3.547 3.640 506 HB3 LYS 63 HB3 LYS 63 14.355 -1.978 3.232 507 HG2 LYS 63 HG2 LYS 63 15.270 -1.699 5.460 508 HG3 LYS 63 HG3 LYS 63 14.489 -3.204 6.012 509 HD2 LYS 63 HD2 LYS 63 15.781 -4.493 4.378 510 HD3 LYS 63 HD3 LYS 63 16.608 -3.020 3.823 511 HE2 LYS 63 HE2 LYS 63 17.650 -2.693 5.966 512 HE3 LYS 63 HE3 LYS 63 16.622 -3.923 6.727 513 HZ1 LYS 63 HZ1 LYS 63 17.711 -5.607 5.527 514 HZ2 LYS 63 HZ2 LYS 63 18.567 -4.564 4.594 515 HZ3 LYS 63 HZ3 LYS 63 18.910 -4.669 6.194 516 H GLU 64 H GLU 64 11.236 -4.025 4.330 517 HA GLU 64 HA GLU 64 9.841 -5.225 5.502 518 HB2 GLU 64 HB2 GLU 64 12.063 -4.854 7.540 519 HB3 GLU 64 HB3 GLU 64 10.712 -5.963 7.758 520 HG2 GLU 64 HG2 GLU 64 12.399 -7.312 6.926 521 HG3 GLU 64 HG3 GLU 64 11.302 -7.078 5.581 522 H SER 65 H SER 65 8.999 -2.516 5.375 523 HA SER 65 HA SER 65 7.926 -1.835 8.043 524 HB2 SER 65 HB2 SER 65 7.636 -0.500 5.322 525 HB3 SER 65 HB3 SER 65 6.896 0.087 6.823 526 HG SER 65 HG SER 65 9.571 0.033 6.034 527 H THR 66 H THR 66 5.561 -1.637 8.396 528 HA THR 66 HA THR 66 3.954 -3.439 6.670 529 HB THR 66 HB THR 66 3.757 -2.983 9.662 530 HG1 THR 66 HG1 THR 66 4.692 -5.155 9.647 531 HG21 THR 66 HG21 THR 66 1.609 -3.692 8.635 532 HG22 THR 66 HG22 THR 66 2.433 -5.042 7.825 533 HG23 THR 66 HG23 THR 66 2.318 -4.995 9.597 534 H LEU 67 H LEU 67 2.368 -2.528 5.591 535 HA LEU 67 HA LEU 67 1.309 0.146 6.394 536 HB2 LEU 67 HB2 LEU 67 1.614 -1.247 3.701 537 HB3 LEU 67 HB3 LEU 67 0.576 0.143 3.943 538 HG LEU 67 HG LEU 67 2.619 1.357 4.882 539 HD11 LEU 67 HD11 LEU 67 4.823 0.626 3.863 540 HD12 LEU 67 HD12 LEU 67 4.268 -0.378 5.190 541 HD13 LEU 67 HD13 LEU 67 4.069 -0.948 3.521 542 HD21 LEU 67 HD21 LEU 67 3.367 2.051 2.656 543 HD22 LEU 67 HD22 LEU 67 2.604 0.620 1.943 544 HD23 LEU 67 HD23 LEU 67 1.610 1.875 2.722 545 H HIS 68 H HIS 68 -1.003 0.510 5.794 546 HA HIS 68 HA HIS 68 -2.718 -1.903 6.208 547 HB2 HIS 68 HB2 HIS 68 -2.566 0.655 7.735 548 HB3 HIS 68 HB3 HIS 68 -4.181 0.177 7.245 549 HD1 HIS 68 HD1 HIS 68 -5.365 -1.696 8.586 550 HD2 HIS 68 HD2 HIS 68 -1.214 -1.303 9.320 551 HE1 HIS 68 HE1 HIS 68 -4.837 -3.228 10.517 552 H LEU 69 H LEU 69 -4.955 -1.665 5.406 553 HA LEU 69 HA LEU 69 -5.198 0.167 3.078 554 HB2 LEU 69 HB2 LEU 69 -6.134 -2.721 3.279 555 HB3 LEU 69 HB3 LEU 69 -6.414 -1.616 1.932 556 HG LEU 69 HG LEU 69 -3.676 -2.591 2.836 557 HD11 LEU 69 HD11 LEU 69 -3.658 -3.866 0.703 558 HD12 LEU 69 HD12 LEU 69 -4.887 -4.419 1.819 559 HD13 LEU 69 HD13 LEU 69 -5.361 -3.411 0.438 560 HD21 LEU 69 HD21 LEU 69 -3.506 -0.421 1.792 561 HD22 LEU 69 HD22 LEU 69 -2.901 -1.631 0.674 562 HD23 LEU 69 HD23 LEU 69 -4.520 -0.927 0.429 563 H VAL 70 H VAL 70 -7.114 1.384 3.030 564 HA VAL 70 HA VAL 70 -9.418 0.484 4.682 565 HB VAL 70 HB VAL 70 -9.698 2.647 5.717 566 HG11 VAL 70 HG11 VAL 70 -8.229 1.060 6.920 567 HG12 VAL 70 HG12 VAL 70 -6.805 1.813 6.169 568 HG13 VAL 70 HG13 VAL 70 -7.843 2.748 7.266 569 HG21 VAL 70 HG21 VAL 70 -7.908 4.418 5.536 570 HG22 VAL 70 HG22 VAL 70 -7.234 3.494 4.167 571 HG23 VAL 70 HG23 VAL 70 -8.863 4.188 4.071 572 H LEU 71 H LEU 71 -11.450 1.741 4.164 573 HA LEU 71 HA LEU 71 -11.409 3.094 1.522 574 HB2 LEU 71 HB2 LEU 71 -13.080 1.642 0.601 575 HB3 LEU 71 HB3 LEU 71 -11.712 0.678 1.126 576 HG LEU 71 HG LEU 71 -13.860 0.924 3.203 577 HD11 LEU 71 HD11 LEU 71 -14.389 -0.629 0.659 578 HD12 LEU 71 HD12 LEU 71 -15.380 -0.648 2.130 579 HD13 LEU 71 HD13 LEU 71 -15.269 0.830 1.171 580 HD21 LEU 71 HD21 LEU 71 -11.944 -0.589 3.481 581 HD22 LEU 71 HD22 LEU 71 -13.449 -1.511 3.351 582 HD23 LEU 71 HD23 LEU 71 -12.350 -1.402 1.964 583 H ARG 72 H ARG 72 -14.011 3.468 0.995 584 HA ARG 72 HA ARG 72 -15.654 4.023 3.283 585 HB2 ARG 72 HB2 ARG 72 -13.986 6.167 2.173 586 HB3 ARG 72 HB3 ARG 72 -15.685 6.541 1.967 587 HG2 ARG 72 HG2 ARG 72 -14.414 5.795 4.635 588 HG3 ARG 72 HG3 ARG 72 -14.744 7.438 4.075 589 HD2 ARG 72 HD2 ARG 72 -17.172 6.848 3.883 590 HD3 ARG 72 HD3 ARG 72 -16.832 5.263 4.580 591 HE ARG 72 HE ARG 72 -16.863 7.880 5.922 592 HH11 ARG 72 HH11 ARG 72 -16.128 4.369 6.347 593 HH12 ARG 72 HH12 ARG 72 -16.348 4.487 8.052 594 HH21 ARG 72 HH21 ARG 72 -17.012 7.938 8.109 595 HH22 ARG 72 HH22 ARG 72 -17.016 6.487 9.083 596 H LEU 73 H LEU 73 -17.708 3.645 2.670 597 HA LEU 73 HA LEU 73 -18.810 4.397 0.114 598 HB2 LEU 73 HB2 LEU 73 -18.291 1.513 0.887 599 HB3 LEU 73 HB3 LEU 73 -19.805 1.911 0.095 600 HG LEU 73 HG LEU 73 -17.059 2.460 -1.093 601 HD11 LEU 73 HD11 LEU 73 -17.554 0.623 -2.561 602 HD12 LEU 73 HD12 LEU 73 -17.741 0.067 -0.888 603 HD13 LEU 73 HD13 LEU 73 -19.177 0.405 -1.862 604 HD21 LEU 73 HD21 LEU 73 -18.724 4.086 -1.991 605 HD22 LEU 73 HD22 LEU 73 -18.311 2.886 -3.205 606 HD23 LEU 73 HD23 LEU 73 -19.841 2.743 -2.331 607 H ARG 74 H ARG 74 -21.127 4.542 0.331 608 HA ARG 74 HA ARG 74 -22.093 4.051 3.121 609 HB2 ARG 74 HB2 ARG 74 -22.862 6.317 1.244 610 HB3 ARG 74 HB3 ARG 74 -23.812 5.843 2.645 611 HG2 ARG 74 HG2 ARG 74 -21.003 6.977 2.621 612 HG3 ARG 74 HG3 ARG 74 -22.463 7.681 3.319 613 HD2 ARG 74 HD2 ARG 74 -20.801 5.370 4.370 614 HD3 ARG 74 HD3 ARG 74 -21.109 6.932 5.120 615 HE ARG 74 HE ARG 74 -23.611 5.646 4.765 616 HH11 ARG 74 HH11 ARG 74 -20.794 5.574 6.873 617 HH12 ARG 74 HH12 ARG 74 -21.572 4.701 8.149 618 HH21 ARG 74 HH21 ARG 74 -24.523 4.129 6.225 619 HH22 ARG 74 HH22 ARG 74 -23.728 3.788 7.730 620 H GLY 75 H GLY 75 -22.632 3.549 -0.275 621 HA2 GLY 75 HA2 GLY 75 -25.237 2.231 0.162 622 HA3 GLY 75 HA3 GLY 75 -24.436 2.563 -1.370 623 H GLY 76 H GLY 76 -22.381 1.156 1.157 624 HA2 GLY 76 HA2 GLY 76 -22.761 -1.582 0.764 625 HA3 GLY 76 HA3 GLY 76 -21.422 -0.977 -0.247 Start of MODEL 4 1 H1 MET 1 H MET 1 14.428 -5.193 -1.814 2 HA MET 1 HA MET 1 14.248 -4.707 1.098 3 HB2 MET 1 HB2 MET 1 14.808 -2.659 0.174 4 HB3 MET 1 HB3 MET 1 13.795 -2.865 -1.252 5 HG2 MET 1 HG2 MET 1 11.779 -2.544 0.030 6 HG3 MET 1 HG3 MET 1 12.661 -2.625 1.560 7 HE1 MET 1 HE1 MET 1 11.236 1.063 1.267 8 HE2 MET 1 HE2 MET 1 10.503 -0.379 0.520 9 HE3 MET 1 HE3 MET 1 11.148 -0.463 2.169 10 H GLN 2 H GLN 2 12.502 -5.488 2.095 11 HA GLN 2 HA GLN 2 10.184 -6.245 0.433 12 HB2 GLN 2 HB2 GLN 2 9.813 -8.117 1.982 13 HB3 GLN 2 HB3 GLN 2 11.315 -8.275 1.066 14 HG2 GLN 2 HG2 GLN 2 12.650 -7.635 2.988 15 HG3 GLN 2 HG3 GLN 2 11.209 -7.200 3.913 16 HE21 GLN 2 HE21 GLN 2 11.974 -10.356 5.433 17 HE22 GLN 2 HE22 GLN 2 12.501 -8.677 5.445 18 H ILE 3 H ILE 3 8.144 -5.862 1.413 19 HA ILE 3 HA ILE 3 8.051 -4.546 4.049 20 HB ILE 3 HB ILE 3 6.533 -2.807 3.329 21 HG12 ILE 3 HG12 ILE 3 7.015 -3.742 0.472 22 HG13 ILE 3 HG13 ILE 3 5.520 -3.868 1.386 23 HG21 ILE 3 HG21 ILE 3 8.143 -1.277 2.391 24 HG22 ILE 3 HG22 ILE 3 8.958 -2.368 3.510 25 HG23 ILE 3 HG23 ILE 3 9.136 -2.611 1.771 26 HD11 ILE 3 HD11 ILE 3 5.347 -2.021 -0.134 27 HD12 ILE 3 HD12 ILE 3 5.394 -1.386 1.524 28 HD13 ILE 3 HD13 ILE 3 6.834 -1.284 0.481 29 H PHE 4 H PHE 4 5.677 -4.423 4.787 30 HA PHE 4 HA PHE 4 4.163 -6.759 3.841 31 HB2 PHE 4 HB2 PHE 4 4.275 -5.594 6.631 32 HB3 PHE 4 HB3 PHE 4 3.395 -7.024 6.145 33 HD1 PHE 4 HD1 PHE 4 4.786 -9.094 5.372 34 HD2 PHE 4 HD2 PHE 4 6.395 -5.746 7.584 35 HE1 PHE 4 HE1 PHE 4 6.574 -10.546 6.305 36 HE2 PHE 4 HE2 PHE 4 8.181 -7.207 8.495 37 HZ PHE 4 HZ PHE 4 8.267 -9.599 7.859 38 H VAL 5 H VAL 5 1.864 -6.556 3.897 39 HA VAL 5 HA VAL 5 0.727 -3.924 4.596 40 HB VAL 5 HB VAL 5 0.082 -5.254 1.930 41 HG11 VAL 5 HG11 VAL 5 -1.753 -3.945 2.917 42 HG12 VAL 5 HG12 VAL 5 -0.679 -2.555 3.146 43 HG13 VAL 5 HG13 VAL 5 -1.083 -3.103 1.510 44 HG21 VAL 5 HG21 VAL 5 1.172 -3.355 0.823 45 HG22 VAL 5 HG22 VAL 5 1.752 -2.749 2.396 46 HG23 VAL 5 HG23 VAL 5 2.347 -4.276 1.749 47 H LYS 6 H LYS 6 -1.201 -4.212 5.704 48 HA LYS 6 HA LYS 6 -2.182 -7.026 5.866 49 HB2 LYS 6 HB2 LYS 6 -1.572 -5.692 8.015 50 HB3 LYS 6 HB3 LYS 6 -3.030 -4.747 7.681 51 HG2 LYS 6 HG2 LYS 6 -3.794 -6.458 9.142 52 HG3 LYS 6 HG3 LYS 6 -4.268 -7.020 7.551 53 HD2 LYS 6 HD2 LYS 6 -3.345 -8.962 8.381 54 HD3 LYS 6 HD3 LYS 6 -1.932 -8.293 7.603 55 HE2 LYS 6 HE2 LYS 6 -1.231 -9.111 9.687 56 HE3 LYS 6 HE3 LYS 6 -1.194 -7.348 9.832 57 HZ1 LYS 6 HZ1 LYS 6 -3.204 -7.436 11.110 58 HZ2 LYS 6 HZ2 LYS 6 -3.464 -9.018 10.736 59 HZ3 LYS 6 HZ3 LYS 6 -2.229 -8.618 11.724 60 H THR 7 H THR 7 -3.942 -7.503 4.565 61 HA THR 7 HA THR 7 -5.251 -5.345 3.106 62 HB THR 7 HB THR 7 -6.600 -7.245 2.162 63 HG1 THR 7 HG1 THR 7 -6.303 -9.227 2.866 64 HG21 THR 7 HG21 THR 7 -4.722 -8.382 0.989 65 HG22 THR 7 HG22 THR 7 -4.567 -6.616 0.986 66 HG23 THR 7 HG23 THR 7 -3.589 -7.591 2.100 67 H LEU 8 H LEU 8 -7.625 -5.232 2.957 68 HA LEU 8 HA LEU 8 -8.764 -4.820 5.546 69 HB2 LEU 8 HB2 LEU 8 -10.516 -3.874 4.507 70 HB3 LEU 8 HB3 LEU 8 -9.320 -3.676 3.242 71 HG LEU 8 HG LEU 8 -11.468 -5.870 3.343 72 HD11 LEU 8 HD11 LEU 8 -12.459 -3.675 3.128 73 HD12 LEU 8 HD12 LEU 8 -11.354 -3.262 1.798 74 HD13 LEU 8 HD13 LEU 8 -12.573 -4.531 1.589 75 HD21 LEU 8 HD21 LEU 8 -9.864 -5.056 0.912 76 HD22 LEU 8 HD22 LEU 8 -9.394 -6.414 1.939 77 HD23 LEU 8 HD23 LEU 8 -10.958 -6.422 1.100 78 H THR 9 H THR 9 -8.343 -7.730 3.818 79 HA THR 9 HA THR 9 -10.717 -9.075 4.897 80 HB THR 9 HB THR 9 -9.863 -10.963 3.559 81 HG1 THR 9 HG1 THR 9 -8.097 -10.805 2.332 82 HG21 THR 9 HG21 THR 9 -9.794 -8.568 1.733 83 HG22 THR 9 HG22 THR 9 -10.440 -10.184 1.438 84 HG23 THR 9 HG23 THR 9 -11.283 -9.083 2.552 85 H GLY 10 H GLY 10 -7.532 -8.320 5.925 86 HA2 GLY 10 HA2 GLY 10 -6.719 -8.783 8.024 87 HA3 GLY 10 HA3 GLY 10 -7.655 -10.282 8.097 88 H LYS 11 H LYS 11 -6.112 -10.094 5.039 89 HA LYS 11 HA LYS 11 -4.237 -12.164 5.916 90 HB2 LYS 11 HB2 LYS 11 -5.379 -11.128 3.392 91 HB3 LYS 11 HB3 LYS 11 -3.666 -11.330 3.220 92 HG2 LYS 11 HG2 LYS 11 -5.400 -13.563 4.331 93 HG3 LYS 11 HG3 LYS 11 -5.377 -13.236 2.611 94 HD2 LYS 11 HD2 LYS 11 -2.986 -14.033 4.287 95 HD3 LYS 11 HD3 LYS 11 -3.848 -15.046 3.152 96 HE2 LYS 11 HE2 LYS 11 -2.154 -12.600 2.477 97 HE3 LYS 11 HE3 LYS 11 -1.744 -14.294 2.187 98 HZ1 LYS 11 HZ1 LYS 11 -3.948 -12.795 0.877 99 HZ2 LYS 11 HZ2 LYS 11 -2.574 -13.290 0.166 100 HZ3 LYS 11 HZ3 LYS 11 -3.686 -14.390 0.685 101 H THR 12 H THR 12 -1.904 -11.982 5.422 102 HA THR 12 HA THR 12 -0.828 -9.228 5.671 103 HB THR 12 HB THR 12 0.460 -11.876 6.470 104 HG1 THR 12 HG1 THR 12 0.039 -11.301 8.539 105 HG21 THR 12 HG21 THR 12 2.080 -10.390 7.645 106 HG22 THR 12 HG22 THR 12 2.078 -10.083 5.908 107 HG23 THR 12 HG23 THR 12 1.236 -8.965 7.006 108 H ILE 13 H ILE 13 0.484 -8.605 4.046 109 HA ILE 13 HA ILE 13 0.986 -10.466 1.788 110 HB ILE 13 HB ILE 13 0.571 -7.452 1.824 111 HG12 ILE 13 HG12 ILE 13 -1.565 -8.419 2.356 112 HG13 ILE 13 HG13 ILE 13 -1.592 -7.833 0.704 113 HG21 ILE 13 HG21 ILE 13 1.912 -7.967 -0.059 114 HG22 ILE 13 HG22 ILE 13 0.918 -9.388 -0.475 115 HG23 ILE 13 HG23 ILE 13 0.274 -7.743 -0.654 116 HD11 ILE 13 HD11 ILE 13 -2.761 -9.934 0.782 117 HD12 ILE 13 HD12 ILE 13 -1.232 -10.218 -0.066 118 HD13 ILE 13 HD13 ILE 13 -1.422 -10.735 1.611 119 H THR 14 H THR 14 2.956 -10.030 0.663 120 HA THR 14 HA THR 14 5.161 -8.680 2.080 121 HB THR 14 HB THR 14 4.896 -11.529 1.052 122 HG1 THR 14 HG1 THR 14 5.550 -12.007 3.011 123 HG21 THR 14 HG21 THR 14 7.517 -10.008 1.354 124 HG22 THR 14 HG22 THR 14 7.368 -11.783 1.289 125 HG23 THR 14 HG23 THR 14 6.887 -10.810 -0.100 126 H LEU 15 H LEU 15 6.348 -7.441 0.588 127 HA LEU 15 HA LEU 15 5.975 -7.833 -2.289 128 HB2 LEU 15 HB2 LEU 15 5.211 -5.279 -0.785 129 HB3 LEU 15 HB3 LEU 15 5.851 -5.217 -2.412 130 HG LEU 15 HG LEU 15 3.255 -6.571 -1.631 131 HD11 LEU 15 HD11 LEU 15 2.414 -4.742 -3.186 132 HD12 LEU 15 HD12 LEU 15 3.110 -4.138 -1.667 133 HD13 LEU 15 HD13 LEU 15 4.027 -4.056 -3.191 134 HD21 LEU 15 HD21 LEU 15 4.719 -6.347 -4.299 135 HD22 LEU 15 HD22 LEU 15 4.257 -7.843 -3.479 136 HD23 LEU 15 HD23 LEU 15 3.003 -6.795 -4.129 137 H GLU 16 H GLU 16 7.664 -7.176 -3.456 138 HA GLU 16 HA GLU 16 10.065 -6.225 -2.051 139 HB2 GLU 16 HB2 GLU 16 10.218 -8.400 -3.036 140 HB3 GLU 16 HB3 GLU 16 9.735 -7.796 -4.629 141 HG2 GLU 16 HG2 GLU 16 11.810 -6.682 -4.948 142 HG3 GLU 16 HG3 GLU 16 12.162 -6.634 -3.216 143 H VAL 17 H VAL 17 10.327 -4.092 -2.264 144 HA VAL 17 HA VAL 17 9.744 -2.782 -4.847 145 HB VAL 17 HB VAL 17 8.324 -1.178 -4.103 146 HG11 VAL 17 HG11 VAL 17 7.120 -3.320 -4.020 147 HG12 VAL 17 HG12 VAL 17 7.477 -3.477 -2.287 148 HG13 VAL 17 HG13 VAL 17 6.460 -2.165 -2.865 149 HG21 VAL 17 HG21 VAL 17 9.318 -0.148 -2.256 150 HG22 VAL 17 HG22 VAL 17 7.754 -0.679 -1.684 151 HG23 VAL 17 HG23 VAL 17 9.221 -1.588 -1.240 152 H GLU 18 H GLU 18 10.552 -0.160 -4.065 153 HA GLU 18 HA GLU 18 13.150 -0.496 -2.765 154 HB2 GLU 18 HB2 GLU 18 14.299 0.676 -4.612 155 HB3 GLU 18 HB3 GLU 18 13.671 -0.882 -5.138 156 HG2 GLU 18 HG2 GLU 18 11.828 0.181 -6.309 157 HG3 GLU 18 HG3 GLU 18 12.220 1.756 -5.605 158 HA PRO 19 HA PRO 19 12.065 3.393 -1.030 159 HB2 PRO 19 HB2 PRO 19 14.716 4.472 -2.036 160 HB3 PRO 19 HB3 PRO 19 13.989 4.654 -0.415 161 HG2 PRO 19 HG2 PRO 19 15.895 2.834 -0.763 162 HG3 PRO 19 HG3 PRO 19 14.405 2.316 0.083 163 HD2 PRO 19 HD2 PRO 19 15.104 1.952 -2.858 164 HD3 PRO 19 HD3 PRO 19 14.533 0.723 -1.688 165 H SER 20 H SER 20 13.036 3.323 -4.451 166 HA SER 20 HA SER 20 11.710 5.954 -4.856 167 HB2 SER 20 HB2 SER 20 13.868 4.496 -6.428 168 HB3 SER 20 HB3 SER 20 13.243 6.092 -6.797 169 HG SER 20 HG SER 20 14.139 6.911 -5.056 170 H ASP 21 H ASP 21 10.351 3.252 -4.670 171 HA ASP 21 HA ASP 21 9.328 2.857 -7.416 172 HB2 ASP 21 HB2 ASP 21 9.840 1.000 -5.626 173 HB3 ASP 21 HB3 ASP 21 8.342 1.504 -4.873 174 H THR 22 H THR 22 7.205 3.750 -8.011 175 HA THR 22 HA THR 22 6.180 5.784 -6.168 176 HB THR 22 HB THR 22 4.282 5.816 -7.899 177 HG1 THR 22 HG1 THR 22 5.908 4.670 -9.786 178 HG21 THR 22 HG21 THR 22 7.086 6.463 -8.855 179 HG22 THR 22 HG22 THR 22 5.571 7.056 -9.571 180 HG23 THR 22 HG23 THR 22 6.009 7.518 -7.922 181 H ILE 23 H ILE 23 4.052 5.777 -5.241 182 HA ILE 23 HA ILE 23 3.304 3.247 -4.104 183 HB ILE 23 HB ILE 23 1.799 5.863 -4.288 184 HG12 ILE 23 HG12 ILE 23 3.837 6.088 -2.995 185 HG13 ILE 23 HG13 ILE 23 2.435 6.162 -1.937 186 HG21 ILE 23 HG21 ILE 23 0.090 4.241 -3.899 187 HG22 ILE 23 HG22 ILE 23 1.069 3.382 -2.698 188 HG23 ILE 23 HG23 ILE 23 0.422 5.004 -2.343 189 HD11 ILE 23 HD11 ILE 23 4.312 3.781 -2.232 190 HD12 ILE 23 HD12 ILE 23 4.215 4.911 -0.875 191 HD13 ILE 23 HD13 ILE 23 2.859 3.819 -1.201 192 H GLU 24 H GLU 24 2.492 4.795 -7.115 193 HA GLU 24 HA GLU 24 0.115 3.485 -7.809 194 HB2 GLU 24 HB2 GLU 24 1.472 5.404 -8.938 195 HB3 GLU 24 HB3 GLU 24 2.378 4.150 -9.752 196 HG2 GLU 24 HG2 GLU 24 0.541 3.472 -11.037 197 HG3 GLU 24 HG3 GLU 24 -0.644 4.070 -9.866 198 H ASN 25 H ASN 25 3.519 2.442 -8.082 199 HA ASN 25 HA ASN 25 2.905 -0.072 -9.407 200 HB2 ASN 25 HB2 ASN 25 5.411 1.124 -8.153 201 HB3 ASN 25 HB3 ASN 25 5.323 -0.581 -8.578 202 HD21 ASN 25 HD21 ASN 25 5.319 2.138 -11.607 203 HD22 ASN 25 HD22 ASN 25 5.309 2.711 -9.945 204 H VAL 26 H VAL 26 4.041 0.804 -6.110 205 HA VAL 26 HA VAL 26 3.892 -1.752 -5.016 206 HB VAL 26 HB VAL 26 3.393 0.894 -3.582 207 HG11 VAL 26 HG11 VAL 26 2.818 -0.952 -2.145 208 HG12 VAL 26 HG12 VAL 26 4.275 -1.849 -2.589 209 HG13 VAL 26 HG13 VAL 26 4.400 -0.354 -1.641 210 HG21 VAL 26 HG21 VAL 26 5.513 1.076 -4.708 211 HG22 VAL 26 HG22 VAL 26 5.905 0.587 -3.067 212 HG23 VAL 26 HG23 VAL 26 5.912 -0.607 -4.362 213 H LYS 27 H LYS 27 1.204 0.584 -5.314 214 HA LYS 27 HA LYS 27 -0.644 -1.076 -3.816 215 HB2 LYS 27 HB2 LYS 27 -0.635 1.455 -4.077 216 HB3 LYS 27 HB3 LYS 27 -1.198 1.189 -5.735 217 HG2 LYS 27 HG2 LYS 27 -3.208 -0.016 -4.716 218 HG3 LYS 27 HG3 LYS 27 -2.586 0.395 -3.113 219 HD2 LYS 27 HD2 LYS 27 -4.348 1.950 -3.828 220 HD3 LYS 27 HD3 LYS 27 -2.799 2.825 -3.693 221 HE2 LYS 27 HE2 LYS 27 -2.463 2.712 -6.111 222 HE3 LYS 27 HE3 LYS 27 -3.794 1.574 -6.283 223 HZ1 LYS 27 HZ1 LYS 27 -4.468 3.634 -6.987 224 HZ2 LYS 27 HZ2 LYS 27 -5.276 3.385 -5.553 225 HZ3 LYS 27 HZ3 LYS 27 -3.986 4.425 -5.634 226 H ALA 28 H ALA 28 0.575 -1.204 -7.079 227 HA ALA 28 HA ALA 28 -1.784 -2.633 -8.120 228 HB1 ALA 28 HB1 ALA 28 0.851 -1.915 -9.469 229 HB2 ALA 28 HB2 ALA 28 -0.590 -2.616 -10.233 230 HB3 ALA 28 HB3 ALA 28 -0.665 -0.984 -9.564 231 H LYS 29 H LYS 29 1.646 -3.215 -7.265 232 HA LYS 29 HA LYS 29 1.823 -5.896 -8.006 233 HB2 LYS 29 HB2 LYS 29 2.983 -4.655 -5.494 234 HB3 LYS 29 HB3 LYS 29 3.494 -6.183 -6.230 235 HG2 LYS 29 HG2 LYS 29 4.541 -5.105 -8.070 236 HG3 LYS 29 HG3 LYS 29 3.843 -3.540 -7.653 237 HD2 LYS 29 HD2 LYS 29 5.050 -3.706 -5.409 238 HD3 LYS 29 HD3 LYS 29 5.918 -5.099 -6.043 239 HE2 LYS 29 HE2 LYS 29 6.035 -2.717 -7.815 240 HE3 LYS 29 HE3 LYS 29 6.623 -2.371 -6.201 241 HZ1 LYS 29 HZ1 LYS 29 8.160 -4.292 -6.447 242 HZ2 LYS 29 HZ2 LYS 29 7.674 -4.412 -8.033 243 HZ3 LYS 29 HZ3 LYS 29 8.414 -3.063 -7.490 244 H ILE 30 H ILE 30 0.304 -4.589 -5.020 245 HA ILE 30 HA ILE 30 -0.162 -7.110 -3.791 246 HB ILE 30 HB ILE 30 -1.931 -5.977 -2.467 247 HG12 ILE 30 HG12 ILE 30 -1.114 -3.469 -3.965 248 HG13 ILE 30 HG13 ILE 30 -2.640 -4.321 -4.232 249 HG21 ILE 30 HG21 ILE 30 -0.461 -4.841 -1.066 250 HG22 ILE 30 HG22 ILE 30 0.624 -5.916 -1.962 251 HG23 ILE 30 HG23 ILE 30 0.493 -4.195 -2.400 252 HD11 ILE 30 HD11 ILE 30 -3.298 -3.865 -1.887 253 HD12 ILE 30 HD12 ILE 30 -1.803 -2.942 -1.656 254 HD13 ILE 30 HD13 ILE 30 -3.011 -2.388 -2.824 255 H GLN 31 H GLN 31 -1.906 -5.477 -6.436 256 HA GLN 31 HA GLN 31 -4.306 -7.035 -6.156 257 HB2 GLN 31 HB2 GLN 31 -3.345 -5.593 -8.642 258 HB3 GLN 31 HB3 GLN 31 -4.996 -5.999 -8.181 259 HG2 GLN 31 HG2 GLN 31 -4.788 -4.395 -6.239 260 HG3 GLN 31 HG3 GLN 31 -3.194 -3.957 -6.831 261 HE21 GLN 31 HE21 GLN 31 -6.531 -2.478 -8.707 262 HE22 GLN 31 HE22 GLN 31 -6.634 -3.807 -7.542 263 H ASP 32 H ASP 32 -1.136 -7.614 -7.492 264 HA ASP 32 HA ASP 32 -2.021 -9.730 -9.371 265 HB2 ASP 32 HB2 ASP 32 -0.020 -9.063 -10.181 266 HB3 ASP 32 HB3 ASP 32 0.543 -8.440 -8.645 267 H LYS 33 H LYS 33 -0.660 -9.464 -6.049 268 HA LYS 33 HA LYS 33 -0.859 -12.394 -5.737 269 HB2 LYS 33 HB2 LYS 33 0.505 -10.206 -4.405 270 HB3 LYS 33 HB3 LYS 33 -0.164 -11.362 -3.251 271 HG2 LYS 33 HG2 LYS 33 0.996 -13.196 -4.284 272 HG3 LYS 33 HG3 LYS 33 1.601 -12.151 -5.588 273 HD2 LYS 33 HD2 LYS 33 2.923 -10.848 -4.016 274 HD3 LYS 33 HD3 LYS 33 2.245 -11.695 -2.633 275 HE2 LYS 33 HE2 LYS 33 3.935 -12.982 -4.824 276 HE3 LYS 33 HE3 LYS 33 4.570 -12.379 -3.288 277 HZ1 LYS 33 HZ1 LYS 33 3.024 -13.984 -2.179 278 HZ2 LYS 33 HZ2 LYS 33 2.679 -14.621 -3.644 279 HZ3 LYS 33 HZ3 LYS 33 4.219 -14.669 -3.063 280 H GLU 34 H GLU 34 -3.159 -9.822 -5.061 281 HA GLU 34 HA GLU 34 -4.827 -11.798 -3.664 282 HB2 GLU 34 HB2 GLU 34 -3.556 -10.182 -2.020 283 HB3 GLU 34 HB3 GLU 34 -4.578 -8.922 -2.694 284 HG2 GLU 34 HG2 GLU 34 -5.774 -9.550 -0.813 285 HG3 GLU 34 HG3 GLU 34 -6.558 -10.565 -2.020 286 H GLY 35 H GLY 35 -7.123 -11.314 -4.124 287 HA2 GLY 35 HA2 GLY 35 -7.465 -9.795 -6.607 288 HA3 GLY 35 HA3 GLY 35 -8.651 -10.817 -5.809 289 H ILE 36 H ILE 36 -7.129 -7.615 -5.824 290 HA ILE 36 HA ILE 36 -9.550 -6.474 -4.535 291 HB ILE 36 HB ILE 36 -7.918 -4.829 -3.421 292 HG12 ILE 36 HG12 ILE 36 -6.035 -7.230 -3.659 293 HG13 ILE 36 HG13 ILE 36 -5.808 -5.684 -4.471 294 HG21 ILE 36 HG21 ILE 36 -9.470 -6.470 -2.326 295 HG22 ILE 36 HG22 ILE 36 -8.164 -7.670 -2.342 296 HG23 ILE 36 HG23 ILE 36 -8.012 -6.175 -1.396 297 HD11 ILE 36 HD11 ILE 36 -5.752 -6.174 -1.468 298 HD12 ILE 36 HD12 ILE 36 -4.396 -5.803 -2.531 299 HD13 ILE 36 HD13 ILE 36 -5.647 -4.570 -2.240 300 HA PRO 37 HA PRO 37 -8.981 -4.383 -8.525 301 HB2 PRO 37 HB2 PRO 37 -11.610 -3.106 -7.811 302 HB3 PRO 37 HB3 PRO 37 -11.169 -3.991 -9.290 303 HG2 PRO 37 HG2 PRO 37 -12.793 -5.086 -7.408 304 HG3 PRO 37 HG3 PRO 37 -11.550 -6.089 -8.227 305 HD2 PRO 37 HD2 PRO 37 -11.357 -4.701 -5.528 306 HD3 PRO 37 HD3 PRO 37 -10.973 -6.394 -5.957 307 HA PRO 38 HA PRO 38 -8.101 -0.186 -7.158 308 HB2 PRO 38 HB2 PRO 38 -8.332 1.166 -9.696 309 HB3 PRO 38 HB3 PRO 38 -6.883 0.412 -9.006 310 HG2 PRO 38 HG2 PRO 38 -8.306 -0.513 -11.285 311 HG3 PRO 38 HG3 PRO 38 -7.032 -1.370 -10.360 312 HD2 PRO 38 HD2 PRO 38 -10.007 -1.657 -10.165 313 HD3 PRO 38 HD3 PRO 38 -8.723 -2.896 -10.027 314 H ASP 39 H ASP 39 -10.453 -0.797 -6.312 315 HA ASP 39 HA ASP 39 -12.084 1.583 -6.349 316 HB2 ASP 39 HB2 ASP 39 -13.222 0.327 -8.143 317 HB3 ASP 39 HB3 ASP 39 -13.281 -1.115 -7.114 318 H GLN 40 H GLN 40 -12.896 1.757 -4.294 319 HA GLN 40 HA GLN 40 -12.822 1.513 -2.022 320 HB2 GLN 40 HB2 GLN 40 -13.447 -1.413 -2.640 321 HB3 GLN 40 HB3 GLN 40 -13.771 -0.556 -1.152 322 HG2 GLN 40 HG2 GLN 40 -15.149 -0.309 -3.821 323 HG3 GLN 40 HG3 GLN 40 -15.849 -0.701 -2.258 324 HE21 GLN 40 HE21 GLN 40 -16.234 3.032 -3.468 325 HE22 GLN 40 HE22 GLN 40 -15.872 1.664 -4.499 326 H ASN 41 H ASN 41 -10.328 1.694 -3.027 327 HA ASN 41 HA ASN 41 -8.803 -0.098 -1.242 328 HB2 ASN 41 HB2 ASN 41 -8.607 0.113 -4.227 329 HB3 ASN 41 HB3 ASN 41 -7.093 0.203 -3.341 330 HD21 ASN 41 HD21 ASN 41 -9.190 -3.329 -3.180 331 HD22 ASN 41 HD22 ASN 41 -10.027 -1.890 -3.711 332 H ARG 42 H ARG 42 -7.262 1.031 -0.100 333 HA ARG 42 HA ARG 42 -6.182 3.564 -1.070 334 HB2 ARG 42 HB2 ARG 42 -8.525 3.972 -0.028 335 HB3 ARG 42 HB3 ARG 42 -7.818 3.525 1.515 336 HG2 ARG 42 HG2 ARG 42 -6.351 5.431 1.497 337 HG3 ARG 42 HG3 ARG 42 -6.711 5.788 -0.202 338 HD2 ARG 42 HD2 ARG 42 -8.861 5.746 1.959 339 HD3 ARG 42 HD3 ARG 42 -7.976 7.205 1.553 340 HE ARG 42 HE ARG 42 -9.954 5.762 -0.132 341 HH11 ARG 42 HH11 ARG 42 -7.719 8.529 0.065 342 HH12 ARG 42 HH12 ARG 42 -8.174 9.160 -1.477 343 HH21 ARG 42 HH21 ARG 42 -10.515 6.556 -2.113 344 HH22 ARG 42 HH22 ARG 42 -9.770 8.000 -2.762 345 H LEU 43 H LEU 43 -4.099 3.594 -0.233 346 HA LEU 43 HA LEU 43 -3.346 1.531 1.737 347 HB2 LEU 43 HB2 LEU 43 -2.309 1.703 -0.557 348 HB3 LEU 43 HB3 LEU 43 -1.707 3.301 -0.117 349 HG LEU 43 HG LEU 43 -0.411 2.203 1.765 350 HD11 LEU 43 HD11 LEU 43 -1.656 0.107 2.046 351 HD12 LEU 43 HD12 LEU 43 -1.295 -0.361 0.372 352 HD13 LEU 43 HD13 LEU 43 0.003 -0.259 1.565 353 HD21 LEU 43 HD21 LEU 43 1.334 1.357 0.216 354 HD22 LEU 43 HD22 LEU 43 0.138 1.247 -1.082 355 HD23 LEU 43 HD23 LEU 43 0.589 2.831 -0.411 356 H ILE 44 H ILE 44 -2.510 2.054 3.762 357 HA ILE 44 HA ILE 44 -2.006 4.922 4.384 358 HB ILE 44 HB ILE 44 -3.367 2.962 6.248 359 HG12 ILE 44 HG12 ILE 44 -4.907 3.109 4.311 360 HG13 ILE 44 HG13 ILE 44 -5.556 3.668 5.820 361 HG21 ILE 44 HG21 ILE 44 -4.158 5.003 7.408 362 HG22 ILE 44 HG22 ILE 44 -2.398 4.908 7.324 363 HG23 ILE 44 HG23 ILE 44 -3.276 6.002 6.238 364 HD11 ILE 44 HD11 ILE 44 -6.209 5.070 3.870 365 HD12 ILE 44 HD12 ILE 44 -5.452 5.959 5.189 366 HD13 ILE 44 HD13 ILE 44 -4.527 5.588 3.712 367 H PHE 45 H PHE 45 -0.242 5.239 5.835 368 HA PHE 45 HA PHE 45 1.001 2.863 7.089 369 HB2 PHE 45 HB2 PHE 45 2.286 3.236 5.013 370 HB3 PHE 45 HB3 PHE 45 2.502 4.926 5.432 371 HD1 PHE 45 HD1 PHE 45 2.918 1.636 7.323 372 HD2 PHE 45 HD2 PHE 45 4.681 5.417 6.181 373 HE1 PHE 45 HE1 PHE 45 4.947 1.078 8.594 374 HE2 PHE 45 HE2 PHE 45 6.727 4.820 7.416 375 HZ PHE 45 HZ PHE 45 6.887 2.641 8.612 376 H ALA 46 H ALA 46 1.341 3.327 9.166 377 HA ALA 46 HA ALA 46 1.407 4.533 11.161 378 HB1 ALA 46 HB1 ALA 46 3.656 5.032 10.274 379 HB2 ALA 46 HB2 ALA 46 3.020 6.521 9.547 380 HB3 ALA 46 HB3 ALA 46 3.007 6.320 11.308 381 H GLY 47 H GLY 47 -0.942 4.893 9.516 382 HA2 GLY 47 HA2 GLY 47 -2.917 6.061 9.746 383 HA3 GLY 47 HA3 GLY 47 -2.092 7.259 10.748 384 H LYS 48 H LYS 48 -0.036 7.406 8.266 385 HA LYS 48 HA LYS 48 -1.368 9.698 7.066 386 HB2 LYS 48 HB2 LYS 48 1.052 9.621 7.659 387 HB3 LYS 48 HB3 LYS 48 1.320 8.380 6.428 388 HG2 LYS 48 HG2 LYS 48 0.738 9.868 4.640 389 HG3 LYS 48 HG3 LYS 48 0.077 11.074 5.746 390 HD2 LYS 48 HD2 LYS 48 3.017 10.282 5.604 391 HD3 LYS 48 HD3 LYS 48 2.295 11.694 4.821 392 HE2 LYS 48 HE2 LYS 48 1.415 12.327 7.174 393 HE3 LYS 48 HE3 LYS 48 2.592 11.160 7.803 394 HZ1 LYS 48 HZ1 LYS 48 3.142 13.548 6.154 395 HZ2 LYS 48 HZ2 LYS 48 3.453 13.407 7.745 396 HZ3 LYS 48 HZ3 LYS 48 4.310 12.497 6.652 397 H GLN 49 H GLN 49 -2.500 9.664 5.188 398 HA GLN 49 HA GLN 49 -2.934 7.089 3.886 399 HB2 GLN 49 HB2 GLN 49 -3.982 9.748 2.880 400 HB3 GLN 49 HB3 GLN 49 -4.562 8.120 2.576 401 HG2 GLN 49 HG2 GLN 49 -6.131 8.649 4.086 402 HG3 GLN 49 HG3 GLN 49 -4.919 8.078 5.226 403 HE21 GLN 49 HE21 GLN 49 -5.764 11.117 6.919 404 HE22 GLN 49 HE22 GLN 49 -5.840 9.369 6.927 405 H LEU 50 H LEU 50 -2.130 6.439 1.914 406 HA LEU 50 HA LEU 50 -0.042 8.163 0.664 407 HB2 LEU 50 HB2 LEU 50 -0.279 5.143 0.539 408 HB3 LEU 50 HB3 LEU 50 1.082 6.145 0.048 409 HG LEU 50 HG LEU 50 0.166 5.587 2.912 410 HD11 LEU 50 HD11 LEU 50 2.550 4.692 1.245 411 HD12 LEU 50 HD12 LEU 50 2.364 4.390 2.987 412 HD13 LEU 50 HD13 LEU 50 1.223 3.694 1.831 413 HD21 LEU 50 HD21 LEU 50 1.176 7.870 2.740 414 HD22 LEU 50 HD22 LEU 50 2.199 6.750 3.646 415 HD23 LEU 50 HD23 LEU 50 2.596 7.146 1.959 416 H GLU 51 H GLU 51 0.102 7.997 -1.717 417 HA GLU 51 HA GLU 51 -1.830 6.565 -3.218 418 HB2 GLU 51 HB2 GLU 51 -2.861 8.704 -4.207 419 HB3 GLU 51 HB3 GLU 51 -3.458 8.110 -2.670 420 HG2 GLU 51 HG2 GLU 51 -1.941 9.844 -1.517 421 HG3 GLU 51 HG3 GLU 51 -1.642 10.490 -3.134 422 H ASP 52 H ASP 52 -1.593 7.415 -5.548 423 HA ASP 52 HA ASP 52 1.135 7.197 -6.260 424 HB2 ASP 52 HB2 ASP 52 0.373 7.210 -8.568 425 HB3 ASP 52 HB3 ASP 52 -0.596 6.123 -7.575 426 H GLY 53 H GLY 53 2.148 8.356 -7.902 427 HA2 GLY 53 HA2 GLY 53 2.790 10.282 -9.045 428 HA3 GLY 53 HA3 GLY 53 1.932 11.300 -7.865 429 H ARG 54 H ARG 54 2.962 9.634 -5.563 430 HA ARG 54 HA ARG 54 5.773 10.673 -5.523 431 HB2 ARG 54 HB2 ARG 54 3.654 10.435 -3.382 432 HB3 ARG 54 HB3 ARG 54 5.372 10.654 -3.002 433 HG2 ARG 54 HG2 ARG 54 5.366 12.705 -4.502 434 HG3 ARG 54 HG3 ARG 54 3.617 12.481 -4.683 435 HD2 ARG 54 HD2 ARG 54 3.732 12.453 -1.995 436 HD3 ARG 54 HD3 ARG 54 5.216 13.378 -2.303 437 HE ARG 54 HE ARG 54 2.967 14.356 -3.853 438 HH11 ARG 54 HH11 ARG 54 4.313 14.400 -0.582 439 HH12 ARG 54 HH12 ARG 54 3.554 15.900 -0.136 440 HH21 ARG 54 HH21 ARG 54 1.806 16.180 -3.230 441 HH22 ARG 54 HH22 ARG 54 2.073 16.948 -1.693 442 H THR 55 H THR 55 7.257 9.482 -4.007 443 HA THR 55 HA THR 55 6.922 6.554 -4.412 444 HB THR 55 HB THR 55 9.321 6.465 -4.659 445 HG1 THR 55 HG1 THR 55 9.295 9.287 -4.167 446 HG21 THR 55 HG21 THR 55 9.672 7.670 -6.737 447 HG22 THR 55 HG22 THR 55 8.076 6.938 -6.710 448 HG23 THR 55 HG23 THR 55 8.262 8.692 -6.450 449 H LEU 56 H LEU 56 8.420 5.285 -2.956 450 HA LEU 56 HA LEU 56 7.533 5.512 -0.300 451 HB2 LEU 56 HB2 LEU 56 9.707 3.925 -1.652 452 HB3 LEU 56 HB3 LEU 56 9.787 4.110 0.100 453 HG LEU 56 HG LEU 56 7.324 3.360 0.167 454 HD11 LEU 56 HD11 LEU 56 7.971 2.279 -2.589 455 HD12 LEU 56 HD12 LEU 56 6.510 1.996 -1.606 456 HD13 LEU 56 HD13 LEU 56 6.836 3.600 -2.259 457 HD21 LEU 56 HD21 LEU 56 9.521 1.463 -0.671 458 HD22 LEU 56 HD22 LEU 56 9.146 2.001 0.979 459 HD23 LEU 56 HD23 LEU 56 7.993 0.979 0.109 460 H SER 57 H SER 57 10.497 6.819 -1.757 461 HA SER 57 HA SER 57 11.802 7.704 0.592 462 HB2 SER 57 HB2 SER 57 12.786 7.496 -1.695 463 HB3 SER 57 HB3 SER 57 11.789 8.848 -2.244 464 HG SER 57 HG SER 57 13.901 9.431 -1.769 465 H ASP 58 H ASP 58 9.434 9.405 -1.576 466 HA ASP 58 HA ASP 58 9.448 11.865 -0.175 467 HB2 ASP 58 HB2 ASP 58 7.156 10.626 -1.734 468 HB3 ASP 58 HB3 ASP 58 7.348 12.336 -1.333 469 H TYR 59 H TYR 59 7.529 8.913 0.209 470 HA TYR 59 HA TYR 59 5.931 10.058 2.399 471 HB2 TYR 59 HB2 TYR 59 6.003 7.333 1.078 472 HB3 TYR 59 HB3 TYR 59 4.978 7.719 2.456 473 HD1 TYR 59 HD1 TYR 59 3.481 9.936 2.207 474 HD2 TYR 59 HD2 TYR 59 4.998 7.557 -1.062 475 HE1 TYR 59 HE1 TYR 59 1.621 10.705 0.791 476 HE2 TYR 59 HE2 TYR 59 3.155 8.347 -2.491 477 HH TYR 59 HH TYR 59 1.186 9.514 -2.589 478 H ASN 60 H ASN 60 9.068 8.931 2.267 479 HA ASN 60 HA ASN 60 10.588 8.158 3.700 480 HB2 ASN 60 HB2 ASN 60 9.838 10.234 4.828 481 HB3 ASN 60 HB3 ASN 60 8.734 9.274 5.818 482 HD21 ASN 60 HD21 ASN 60 11.386 9.351 8.194 483 HD22 ASN 60 HD22 ASN 60 9.835 10.031 7.701 484 H ILE 61 H ILE 61 9.015 6.145 2.811 485 HA ILE 61 HA ILE 61 8.262 4.426 5.107 486 HB ILE 61 HB ILE 61 8.023 4.060 2.110 487 HG12 ILE 61 HG12 ILE 61 5.838 4.625 4.164 488 HG13 ILE 61 HG13 ILE 61 6.577 5.868 3.167 489 HG21 ILE 61 HG21 ILE 61 6.840 2.352 4.362 490 HG22 ILE 61 HG22 ILE 61 6.565 2.112 2.627 491 HG23 ILE 61 HG23 ILE 61 8.169 1.859 3.291 492 HD11 ILE 61 HD11 ILE 61 4.515 5.298 2.190 493 HD12 ILE 61 HD12 ILE 61 5.790 4.722 1.116 494 HD13 ILE 61 HD13 ILE 61 4.897 3.569 2.146 495 H GLN 62 H GLN 62 9.651 2.936 5.899 496 HA GLN 62 HA GLN 62 12.221 2.467 4.482 497 HB2 GLN 62 HB2 GLN 62 11.464 1.912 7.385 498 HB3 GLN 62 HB3 GLN 62 13.074 1.816 6.669 499 HG2 GLN 62 HG2 GLN 62 11.420 4.316 7.178 500 HG3 GLN 62 HG3 GLN 62 12.955 3.862 7.902 501 HE21 GLN 62 HE21 GLN 62 13.121 6.211 4.710 502 HE22 GLN 62 HE22 GLN 62 11.801 6.124 5.837 503 H LYS 63 H LYS 63 13.177 0.231 5.059 504 HA LYS 63 HA LYS 63 11.495 -1.757 3.825 505 HB2 LYS 63 HB2 LYS 63 13.367 -3.189 3.944 506 HB3 LYS 63 HB3 LYS 63 14.016 -1.592 3.604 507 HG2 LYS 63 HG2 LYS 63 14.519 -1.368 6.102 508 HG3 LYS 63 HG3 LYS 63 14.009 -3.054 6.276 509 HD2 LYS 63 HD2 LYS 63 15.786 -3.678 4.564 510 HD3 LYS 63 HD3 LYS 63 16.346 -1.995 4.656 511 HE2 LYS 63 HE2 LYS 63 16.505 -2.357 7.202 512 HE3 LYS 63 HE3 LYS 63 16.251 -4.075 6.874 513 HZ1 LYS 63 HZ1 LYS 63 18.498 -2.416 5.904 514 HZ2 LYS 63 HZ2 LYS 63 18.563 -3.574 7.054 515 HZ3 LYS 63 HZ3 LYS 63 18.276 -3.988 5.476 516 H GLU 64 H GLU 64 10.910 -3.824 4.774 517 HA GLU 64 HA GLU 64 9.644 -4.966 6.179 518 HB2 GLU 64 HB2 GLU 64 12.053 -4.229 7.823 519 HB3 GLU 64 HB3 GLU 64 10.721 -5.044 8.598 520 HG2 GLU 64 HG2 GLU 64 11.965 -6.825 8.013 521 HG3 GLU 64 HG3 GLU 64 10.805 -6.790 6.710 522 H SER 65 H SER 65 8.590 -2.398 5.678 523 HA SER 65 HA SER 65 7.493 -1.430 8.237 524 HB2 SER 65 HB2 SER 65 6.273 0.131 6.568 525 HB3 SER 65 HB3 SER 65 8.007 0.362 6.840 526 HG SER 65 HG SER 65 8.439 -0.212 4.882 527 H THR 66 H THR 66 5.053 -1.370 8.459 528 HA THR 66 HA THR 66 3.668 -3.464 6.878 529 HB THR 66 HB THR 66 3.212 -3.090 9.843 530 HG1 THR 66 HG1 THR 66 5.239 -4.128 9.518 531 HG21 THR 66 HG21 THR 66 2.400 -5.322 7.908 532 HG22 THR 66 HG22 THR 66 1.827 -5.061 9.561 533 HG23 THR 66 HG23 THR 66 1.361 -3.949 8.270 534 H LEU 67 H LEU 67 2.103 -2.583 5.811 535 HA LEU 67 HA LEU 67 1.008 0.068 6.668 536 HB2 LEU 67 HB2 LEU 67 1.126 -1.325 3.959 537 HB3 LEU 67 HB3 LEU 67 0.297 0.182 4.276 538 HG LEU 67 HG LEU 67 2.647 0.974 5.203 539 HD11 LEU 67 HD11 LEU 67 4.539 0.109 3.828 540 HD12 LEU 67 HD12 LEU 67 3.946 -1.097 4.956 541 HD13 LEU 67 HD13 LEU 67 3.494 -1.207 3.248 542 HD21 LEU 67 HD21 LEU 67 3.145 1.896 2.996 543 HD22 LEU 67 HD22 LEU 67 2.072 0.697 2.247 544 HD23 LEU 67 HD23 LEU 67 1.402 1.935 3.321 545 H HIS 68 H HIS 68 -1.275 0.424 5.936 546 HA HIS 68 HA HIS 68 -3.043 -1.943 6.477 547 HB2 HIS 68 HB2 HIS 68 -3.146 0.940 7.435 548 HB3 HIS 68 HB3 HIS 68 -4.636 0.049 7.190 549 HD1 HIS 68 HD1 HIS 68 -1.496 -0.139 9.476 550 HD2 HIS 68 HD2 HIS 68 -5.421 -1.636 9.015 551 HE1 HIS 68 HE1 HIS 68 -2.073 -1.322 11.618 552 H LEU 69 H LEU 69 -5.023 -1.968 5.295 553 HA LEU 69 HA LEU 69 -5.194 -0.218 2.903 554 HB2 LEU 69 HB2 LEU 69 -5.426 -3.205 3.229 555 HB3 LEU 69 HB3 LEU 69 -6.343 -2.409 1.973 556 HG LEU 69 HG LEU 69 -3.341 -2.040 2.235 557 HD11 LEU 69 HD11 LEU 69 -3.778 -4.429 1.883 558 HD12 LEU 69 HD12 LEU 69 -4.816 -4.049 0.486 559 HD13 LEU 69 HD13 LEU 69 -3.079 -3.707 0.439 560 HD21 LEU 69 HD21 LEU 69 -5.233 -1.610 -0.120 561 HD22 LEU 69 HD22 LEU 69 -4.461 -0.339 0.840 562 HD23 LEU 69 HD23 LEU 69 -3.470 -1.403 -0.157 563 H VAL 70 H VAL 70 -7.092 0.870 2.805 564 HA VAL 70 HA VAL 70 -9.461 -0.128 4.293 565 HB VAL 70 HB VAL 70 -9.828 1.995 5.371 566 HG11 VAL 70 HG11 VAL 70 -6.907 1.356 5.912 567 HG12 VAL 70 HG12 VAL 70 -8.071 2.149 6.988 568 HG13 VAL 70 HG13 VAL 70 -8.284 0.448 6.568 569 HG21 VAL 70 HG21 VAL 70 -7.342 3.006 3.954 570 HG22 VAL 70 HG22 VAL 70 -9.005 3.593 3.752 571 HG23 VAL 70 HG23 VAL 70 -8.164 3.863 5.279 572 H LEU 71 H LEU 71 -11.400 1.445 3.804 573 HA LEU 71 HA LEU 71 -11.320 2.621 1.119 574 HB2 LEU 71 HB2 LEU 71 -13.131 1.376 0.245 575 HB3 LEU 71 HB3 LEU 71 -11.947 0.209 0.790 576 HG LEU 71 HG LEU 71 -13.814 0.715 2.975 577 HD11 LEU 71 HD11 LEU 71 -15.379 1.424 1.120 578 HD12 LEU 71 HD12 LEU 71 -15.207 -0.198 0.433 579 HD13 LEU 71 HD13 LEU 71 -15.895 0.017 2.037 580 HD21 LEU 71 HD21 LEU 71 -13.356 -1.724 1.231 581 HD22 LEU 71 HD22 LEU 71 -12.490 -1.298 2.728 582 HD23 LEU 71 HD23 LEU 71 -14.216 -1.693 2.782 583 H ARG 72 H ARG 72 -14.018 3.300 0.877 584 HA ARG 72 HA ARG 72 -15.051 4.172 3.466 585 HB2 ARG 72 HB2 ARG 72 -13.314 5.942 2.220 586 HB3 ARG 72 HB3 ARG 72 -14.824 6.369 1.427 587 HG2 ARG 72 HG2 ARG 72 -14.619 7.794 3.333 588 HG3 ARG 72 HG3 ARG 72 -15.853 6.598 3.745 589 HD2 ARG 72 HD2 ARG 72 -13.836 5.292 4.830 590 HD3 ARG 72 HD3 ARG 72 -12.988 6.839 4.729 591 HE ARG 72 HE ARG 72 -15.274 7.588 5.919 592 HH11 ARG 72 HH11 ARG 72 -12.974 4.933 6.797 593 HH12 ARG 72 HH12 ARG 72 -13.626 4.857 8.386 594 HH21 ARG 72 HH21 ARG 72 -16.001 7.407 8.028 595 HH22 ARG 72 HH22 ARG 72 -15.322 6.208 9.111 596 H LEU 73 H LEU 73 -17.265 3.899 3.319 597 HA LEU 73 HA LEU 73 -18.545 4.057 0.640 598 HB2 LEU 73 HB2 LEU 73 -17.822 1.593 1.976 599 HB3 LEU 73 HB3 LEU 73 -19.560 1.736 2.094 600 HG LEU 73 HG LEU 73 -18.039 2.038 -0.532 601 HD11 LEU 73 HD11 LEU 73 -18.679 -0.266 -1.030 602 HD12 LEU 73 HD12 LEU 73 -17.682 -0.224 0.419 603 HD13 LEU 73 HD13 LEU 73 -19.436 -0.438 0.574 604 HD21 LEU 73 HD21 LEU 73 -20.988 1.513 0.087 605 HD22 LEU 73 HD22 LEU 73 -20.290 3.020 -0.564 606 HD23 LEU 73 HD23 LEU 73 -20.268 1.553 -1.532 607 H ARG 74 H ARG 74 -20.590 4.954 0.776 608 HA ARG 74 HA ARG 74 -21.654 5.411 3.525 609 HB2 ARG 74 HB2 ARG 74 -22.179 6.981 0.984 610 HB3 ARG 74 HB3 ARG 74 -22.833 7.334 2.574 611 HG2 ARG 74 HG2 ARG 74 -19.960 7.588 1.629 612 HG3 ARG 74 HG3 ARG 74 -21.028 8.867 2.196 613 HD2 ARG 74 HD2 ARG 74 -19.856 6.616 3.901 614 HD3 ARG 74 HD3 ARG 74 -19.275 8.259 3.849 615 HE ARG 74 HE ARG 74 -21.786 7.284 5.086 616 HH11 ARG 74 HH11 ARG 74 -19.681 10.100 4.445 617 HH12 ARG 74 HH12 ARG 74 -20.536 11.107 5.562 618 HH21 ARG 74 HH21 ARG 74 -22.971 8.716 6.466 619 HH22 ARG 74 HH22 ARG 74 -22.494 10.366 6.569 620 H GLY 75 H GLY 75 -22.156 3.623 0.648 621 HA2 GLY 75 HA2 GLY 75 -25.036 3.263 0.973 622 HA3 GLY 75 HA3 GLY 75 -23.954 2.421 -0.146 623 H GLY 76 H GLY 76 -22.885 2.482 3.202 624 HA2 GLY 76 HA2 GLY 76 -24.096 0.466 4.530 625 HA3 GLY 76 HA3 GLY 76 -22.873 -0.342 3.509 Start of MODEL 5 1 H1 MET 1 H MET 1 14.740 -4.967 -1.090 2 HA MET 1 HA MET 1 14.265 -4.349 1.772 3 HB2 MET 1 HB2 MET 1 14.810 -2.261 0.871 4 HB3 MET 1 HB3 MET 1 14.117 -2.613 -0.708 5 HG2 MET 1 HG2 MET 1 11.841 -2.376 0.201 6 HG3 MET 1 HG3 MET 1 12.507 -2.089 1.809 7 HE1 MET 1 HE1 MET 1 11.666 1.590 1.444 8 HE2 MET 1 HE2 MET 1 10.852 0.026 1.722 9 HE3 MET 1 HE3 MET 1 12.345 0.441 2.597 10 H GLN 2 H GLN 2 12.370 -5.318 2.516 11 HA GLN 2 HA GLN 2 10.314 -5.782 0.464 12 HB2 GLN 2 HB2 GLN 2 9.613 -7.817 1.532 13 HB3 GLN 2 HB3 GLN 2 11.205 -7.943 0.798 14 HG2 GLN 2 HG2 GLN 2 12.307 -7.991 2.911 15 HG3 GLN 2 HG3 GLN 2 10.875 -7.388 3.756 16 HE21 GLN 2 HE21 GLN 2 9.507 -10.600 4.322 17 HE22 GLN 2 HE22 GLN 2 9.388 -8.850 4.524 18 H ILE 3 H ILE 3 8.112 -5.611 1.345 19 HA ILE 3 HA ILE 3 7.910 -4.348 4.017 20 HB ILE 3 HB ILE 3 6.422 -2.616 3.306 21 HG12 ILE 3 HG12 ILE 3 6.866 -3.498 0.423 22 HG13 ILE 3 HG13 ILE 3 5.390 -3.659 1.357 23 HG21 ILE 3 HG21 ILE 3 8.008 -1.064 2.394 24 HG22 ILE 3 HG22 ILE 3 8.866 -2.187 3.444 25 HG23 ILE 3 HG23 ILE 3 8.988 -2.365 1.690 26 HD11 ILE 3 HD11 ILE 3 5.174 -1.775 -0.122 27 HD12 ILE 3 HD12 ILE 3 5.223 -1.189 1.554 28 HD13 ILE 3 HD13 ILE 3 6.654 -1.034 0.507 29 H PHE 4 H PHE 4 5.501 -4.272 4.655 30 HA PHE 4 HA PHE 4 4.137 -6.674 3.602 31 HB2 PHE 4 HB2 PHE 4 4.136 -5.609 6.431 32 HB3 PHE 4 HB3 PHE 4 3.265 -7.017 5.856 33 HD1 PHE 4 HD1 PHE 4 4.585 -9.080 5.074 34 HD2 PHE 4 HD2 PHE 4 6.369 -5.798 7.254 35 HE1 PHE 4 HE1 PHE 4 6.413 -10.564 5.820 36 HE2 PHE 4 HE2 PHE 4 8.201 -7.297 7.985 37 HZ PHE 4 HZ PHE 4 8.217 -9.681 7.300 38 H VAL 5 H VAL 5 1.852 -6.548 3.559 39 HA VAL 5 HA VAL 5 0.639 -3.896 4.112 40 HB VAL 5 HB VAL 5 0.207 -5.445 1.531 41 HG11 VAL 5 HG11 VAL 5 -1.829 -4.317 2.291 42 HG12 VAL 5 HG12 VAL 5 -0.937 -2.803 2.538 43 HG13 VAL 5 HG13 VAL 5 -1.157 -3.458 0.901 44 HG21 VAL 5 HG21 VAL 5 1.197 -3.539 0.356 45 HG22 VAL 5 HG22 VAL 5 1.538 -2.726 1.897 46 HG23 VAL 5 HG23 VAL 5 2.379 -4.214 1.470 47 H LYS 6 H LYS 6 -1.184 -4.140 5.254 48 HA LYS 6 HA LYS 6 -2.279 -6.904 5.721 49 HB2 LYS 6 HB2 LYS 6 -1.701 -5.551 7.756 50 HB3 LYS 6 HB3 LYS 6 -2.670 -4.219 7.161 51 HG2 LYS 6 HG2 LYS 6 -3.899 -5.388 8.889 52 HG3 LYS 6 HG3 LYS 6 -4.726 -5.568 7.356 53 HD2 LYS 6 HD2 LYS 6 -4.802 -7.680 8.525 54 HD3 LYS 6 HD3 LYS 6 -3.806 -7.852 7.113 55 HE2 LYS 6 HE2 LYS 6 -2.676 -9.028 8.818 56 HE3 LYS 6 HE3 LYS 6 -1.759 -7.527 8.634 57 HZ1 LYS 6 HZ1 LYS 6 -3.010 -6.668 10.580 58 HZ2 LYS 6 HZ2 LYS 6 -3.779 -8.133 10.699 59 HZ3 LYS 6 HZ3 LYS 6 -2.177 -8.052 10.946 60 H THR 7 H THR 7 -4.031 -7.394 4.371 61 HA THR 7 HA THR 7 -5.247 -5.246 2.809 62 HB THR 7 HB THR 7 -6.522 -7.114 1.790 63 HG1 THR 7 HG1 THR 7 -6.649 -8.953 2.773 64 HG21 THR 7 HG21 THR 7 -4.681 -8.356 0.785 65 HG22 THR 7 HG22 THR 7 -4.225 -6.650 0.916 66 HG23 THR 7 HG23 THR 7 -3.572 -7.841 2.068 67 H LEU 8 H LEU 8 -7.667 -5.168 2.629 68 HA LEU 8 HA LEU 8 -8.855 -4.563 5.133 69 HB2 LEU 8 HB2 LEU 8 -10.776 -4.002 3.879 70 HB3 LEU 8 HB3 LEU 8 -9.402 -3.496 2.924 71 HG LEU 8 HG LEU 8 -11.053 -6.040 2.444 72 HD11 LEU 8 HD11 LEU 8 -12.366 -4.026 2.051 73 HD12 LEU 8 HD12 LEU 8 -11.104 -3.376 0.975 74 HD13 LEU 8 HD13 LEU 8 -12.002 -4.835 0.530 75 HD21 LEU 8 HD21 LEU 8 -8.873 -4.744 0.735 76 HD22 LEU 8 HD22 LEU 8 -8.856 -6.386 1.457 77 HD23 LEU 8 HD23 LEU 8 -9.982 -6.005 0.177 78 H THR 9 H THR 9 -8.417 -7.598 3.589 79 HA THR 9 HA THR 9 -10.766 -8.896 4.774 80 HB THR 9 HB THR 9 -9.723 -10.862 3.516 81 HG1 THR 9 HG1 THR 9 -8.089 -10.567 2.239 82 HG21 THR 9 HG21 THR 9 -10.373 -8.414 1.815 83 HG22 THR 9 HG22 THR 9 -10.463 -10.117 1.316 84 HG23 THR 9 HG23 THR 9 -11.549 -9.506 2.575 85 H GLY 10 H GLY 10 -7.508 -8.118 5.677 86 HA2 GLY 10 HA2 GLY 10 -6.646 -8.642 7.782 87 HA3 GLY 10 HA3 GLY 10 -7.633 -10.100 7.869 88 H LYS 11 H LYS 11 -6.119 -9.808 4.764 89 HA LYS 11 HA LYS 11 -4.342 -12.051 5.438 90 HB2 LYS 11 HB2 LYS 11 -5.629 -11.014 3.037 91 HB3 LYS 11 HB3 LYS 11 -3.906 -11.005 2.742 92 HG2 LYS 11 HG2 LYS 11 -5.549 -13.382 3.658 93 HG3 LYS 11 HG3 LYS 11 -5.131 -13.068 2.000 94 HD2 LYS 11 HD2 LYS 11 -3.022 -13.433 4.145 95 HD3 LYS 11 HD3 LYS 11 -3.711 -14.798 3.281 96 HE2 LYS 11 HE2 LYS 11 -2.163 -12.490 2.028 97 HE3 LYS 11 HE3 LYS 11 -1.534 -14.107 2.376 98 HZ1 LYS 11 HZ1 LYS 11 -3.674 -13.410 0.475 99 HZ2 LYS 11 HZ2 LYS 11 -2.208 -13.992 0.096 100 HZ3 LYS 11 HZ3 LYS 11 -3.307 -14.962 0.858 101 H THR 12 H THR 12 -2.003 -11.884 4.802 102 HA THR 12 HA THR 12 -0.849 -9.177 5.195 103 HB THR 12 HB THR 12 0.193 -11.962 5.875 104 HG1 THR 12 HG1 THR 12 -0.800 -11.867 7.604 105 HG21 THR 12 HG21 THR 12 1.876 -10.866 7.250 106 HG22 THR 12 HG22 THR 12 2.030 -10.357 5.563 107 HG23 THR 12 HG23 THR 12 1.294 -9.279 6.768 108 H ILE 13 H ILE 13 0.432 -8.553 3.498 109 HA ILE 13 HA ILE 13 1.163 -10.548 1.405 110 HB ILE 13 HB ILE 13 0.970 -7.548 1.030 111 HG12 ILE 13 HG12 ILE 13 -1.275 -8.058 1.708 112 HG13 ILE 13 HG13 ILE 13 -1.238 -7.775 -0.017 113 HG21 ILE 13 HG21 ILE 13 2.210 -8.679 -0.714 114 HG22 ILE 13 HG22 ILE 13 0.931 -9.883 -0.930 115 HG23 ILE 13 HG23 ILE 13 0.661 -8.189 -1.373 116 HD11 ILE 13 HD11 ILE 13 -2.700 -9.634 0.347 117 HD12 ILE 13 HD12 ILE 13 -1.215 -10.311 -0.330 118 HD13 ILE 13 HD13 ILE 13 -1.548 -10.455 1.399 119 H THR 14 H THR 14 3.290 -10.153 0.473 120 HA THR 14 HA THR 14 5.236 -8.592 2.046 121 HB THR 14 HB THR 14 5.578 -11.467 1.078 122 HG1 THR 14 HG1 THR 14 4.246 -11.318 2.955 123 HG21 THR 14 HG21 THR 14 7.395 -9.681 2.756 124 HG22 THR 14 HG22 THR 14 7.688 -11.389 2.365 125 HG23 THR 14 HG23 THR 14 7.692 -10.181 1.074 126 H LEU 15 H LEU 15 6.384 -7.302 0.515 127 HA LEU 15 HA LEU 15 6.458 -8.174 -2.332 128 HB2 LEU 15 HB2 LEU 15 5.570 -5.426 -1.318 129 HB3 LEU 15 HB3 LEU 15 5.985 -5.793 -2.981 130 HG LEU 15 HG LEU 15 3.649 -7.034 -1.491 131 HD11 LEU 15 HD11 LEU 15 2.305 -5.560 -3.014 132 HD12 LEU 15 HD12 LEU 15 3.248 -4.678 -1.800 133 HD13 LEU 15 HD13 LEU 15 3.810 -4.748 -3.481 134 HD21 LEU 15 HD21 LEU 15 4.459 -7.190 -4.412 135 HD22 LEU 15 HD22 LEU 15 4.406 -8.528 -3.266 136 HD23 LEU 15 HD23 LEU 15 2.898 -7.750 -3.760 137 H GLU 16 H GLU 16 8.270 -7.380 -3.383 138 HA GLU 16 HA GLU 16 10.445 -6.226 -1.724 139 HB2 GLU 16 HB2 GLU 16 10.682 -8.506 -2.680 140 HB3 GLU 16 HB3 GLU 16 10.520 -7.838 -4.302 141 HG2 GLU 16 HG2 GLU 16 12.627 -6.610 -4.035 142 HG3 GLU 16 HG3 GLU 16 12.719 -7.072 -2.327 143 H VAL 17 H VAL 17 10.435 -4.057 -1.974 144 HA VAL 17 HA VAL 17 10.151 -2.866 -4.664 145 HB VAL 17 HB VAL 17 8.670 -1.282 -4.083 146 HG11 VAL 17 HG11 VAL 17 7.601 -3.497 -4.235 147 HG12 VAL 17 HG12 VAL 17 7.630 -3.642 -2.469 148 HG13 VAL 17 HG13 VAL 17 6.685 -2.365 -3.243 149 HG21 VAL 17 HG21 VAL 17 9.242 -0.183 -2.203 150 HG22 VAL 17 HG22 VAL 17 7.810 -1.019 -1.611 151 HG23 VAL 17 HG23 VAL 17 9.459 -1.592 -1.214 152 H GLU 18 H GLU 18 10.692 -0.200 -3.932 153 HA GLU 18 HA GLU 18 13.255 -0.270 -2.524 154 HB2 GLU 18 HB2 GLU 18 14.330 0.926 -4.417 155 HB3 GLU 18 HB3 GLU 18 13.829 -0.720 -4.861 156 HG2 GLU 18 HG2 GLU 18 11.834 0.161 -6.006 157 HG3 GLU 18 HG3 GLU 18 12.245 1.802 -5.507 158 HA PRO 19 HA PRO 19 11.936 3.596 -0.907 159 HB2 PRO 19 HB2 PRO 19 14.581 4.771 -1.773 160 HB3 PRO 19 HB3 PRO 19 13.741 4.917 -0.196 161 HG2 PRO 19 HG2 PRO 19 15.740 3.158 -0.405 162 HG3 PRO 19 HG3 PRO 19 14.209 2.600 0.325 163 HD2 PRO 19 HD2 PRO 19 15.070 2.298 -2.587 164 HD3 PRO 19 HD3 PRO 19 14.551 1.014 -1.457 165 H SER 20 H SER 20 12.984 3.420 -4.240 166 HA SER 20 HA SER 20 11.641 5.981 -4.884 167 HB2 SER 20 HB2 SER 20 13.786 4.355 -6.312 168 HB3 SER 20 HB3 SER 20 13.148 5.893 -6.876 169 HG SER 20 HG SER 20 13.930 6.878 -5.027 170 H ASP 21 H ASP 21 10.241 3.314 -4.469 171 HA ASP 21 HA ASP 21 9.245 2.824 -7.226 172 HB2 ASP 21 HB2 ASP 21 9.759 0.872 -5.674 173 HB3 ASP 21 HB3 ASP 21 8.408 1.397 -4.666 174 H THR 22 H THR 22 7.159 3.645 -7.851 175 HA THR 22 HA THR 22 6.035 5.705 -6.132 176 HB THR 22 HB THR 22 4.171 5.430 -8.025 177 HG1 THR 22 HG1 THR 22 6.309 4.594 -9.627 178 HG21 THR 22 HG21 THR 22 6.849 6.693 -8.635 179 HG22 THR 22 HG22 THR 22 5.311 7.006 -9.460 180 HG23 THR 22 HG23 THR 22 5.507 7.438 -7.753 181 H ILE 23 H ILE 23 3.806 5.765 -5.346 182 HA ILE 23 HA ILE 23 3.014 3.288 -4.073 183 HB ILE 23 HB ILE 23 1.488 5.845 -4.583 184 HG12 ILE 23 HG12 ILE 23 3.381 5.992 -2.964 185 HG13 ILE 23 HG13 ILE 23 1.807 6.396 -2.290 186 HG21 ILE 23 HG21 ILE 23 -0.289 4.273 -4.368 187 HG22 ILE 23 HG22 ILE 23 0.526 3.407 -3.050 188 HG23 ILE 23 HG23 ILE 23 -0.140 5.026 -2.774 189 HD11 ILE 23 HD11 ILE 23 2.986 3.639 -1.916 190 HD12 ILE 23 HD12 ILE 23 3.291 4.996 -0.802 191 HD13 ILE 23 HD13 ILE 23 1.644 4.394 -1.052 192 H GLU 24 H GLU 24 2.293 4.723 -7.197 193 HA GLU 24 HA GLU 24 0.016 3.344 -7.965 194 HB2 GLU 24 HB2 GLU 24 1.580 5.216 -9.040 195 HB3 GLU 24 HB3 GLU 24 2.292 3.865 -9.901 196 HG2 GLU 24 HG2 GLU 24 0.255 3.403 -11.051 197 HG3 GLU 24 HG3 GLU 24 -0.721 4.300 -9.867 198 H ASN 25 H ASN 25 3.449 2.354 -8.287 199 HA ASN 25 HA ASN 25 2.914 -0.226 -9.427 200 HB2 ASN 25 HB2 ASN 25 5.264 1.098 -8.048 201 HB3 ASN 25 HB3 ASN 25 5.311 -0.635 -8.343 202 HD21 ASN 25 HD21 ASN 25 6.911 1.339 -11.178 203 HD22 ASN 25 HD22 ASN 25 7.041 1.321 -9.409 204 H VAL 26 H VAL 26 3.803 0.784 -6.075 205 HA VAL 26 HA VAL 26 3.680 -1.738 -4.878 206 HB VAL 26 HB VAL 26 2.954 0.967 -3.680 207 HG11 VAL 26 HG11 VAL 26 2.246 -0.836 -2.162 208 HG12 VAL 26 HG12 VAL 26 3.845 -1.596 -2.292 209 HG13 VAL 26 HG13 VAL 26 3.665 -0.004 -1.514 210 HG21 VAL 26 HG21 VAL 26 5.252 0.912 -4.699 211 HG22 VAL 26 HG22 VAL 26 5.286 1.079 -2.950 212 HG23 VAL 26 HG23 VAL 26 5.636 -0.486 -3.718 213 H LYS 27 H LYS 27 0.957 0.555 -5.412 214 HA LYS 27 HA LYS 27 -0.948 -1.163 -4.098 215 HB2 LYS 27 HB2 LYS 27 -0.936 1.466 -4.537 216 HB3 LYS 27 HB3 LYS 27 -1.756 0.997 -6.029 217 HG2 LYS 27 HG2 LYS 27 -3.404 -0.288 -4.475 218 HG3 LYS 27 HG3 LYS 27 -2.558 0.449 -3.124 219 HD2 LYS 27 HD2 LYS 27 -4.546 1.742 -3.574 220 HD3 LYS 27 HD3 LYS 27 -3.134 2.714 -4.047 221 HE2 LYS 27 HE2 LYS 27 -3.478 1.997 -6.418 222 HE3 LYS 27 HE3 LYS 27 -4.905 1.071 -5.929 223 HZ1 LYS 27 HZ1 LYS 27 -5.326 3.275 -6.858 224 HZ2 LYS 27 HZ2 LYS 27 -6.032 3.062 -5.422 225 HZ3 LYS 27 HZ3 LYS 27 -4.657 4.003 -5.560 226 H ALA 28 H ALA 28 0.473 -1.250 -7.267 227 HA ALA 28 HA ALA 28 -1.828 -2.660 -8.468 228 HB1 ALA 28 HB1 ALA 28 0.953 -2.126 -9.604 229 HB2 ALA 28 HB2 ALA 28 -0.482 -2.746 -10.459 230 HB3 ALA 28 HB3 ALA 28 -0.489 -1.099 -9.822 231 H LYS 29 H LYS 29 1.530 -3.274 -7.381 232 HA LYS 29 HA LYS 29 1.797 -5.965 -7.975 233 HB2 LYS 29 HB2 LYS 29 2.811 -4.413 -5.572 234 HB3 LYS 29 HB3 LYS 29 3.322 -6.056 -5.950 235 HG2 LYS 29 HG2 LYS 29 4.339 -5.332 -8.058 236 HG3 LYS 29 HG3 LYS 29 3.775 -3.683 -7.806 237 HD2 LYS 29 HD2 LYS 29 5.091 -3.738 -5.581 238 HD3 LYS 29 HD3 LYS 29 5.842 -5.209 -6.178 239 HE2 LYS 29 HE2 LYS 29 6.049 -2.393 -7.361 240 HE3 LYS 29 HE3 LYS 29 7.289 -3.280 -6.502 241 HZ1 LYS 29 HZ1 LYS 29 7.050 -4.967 -8.417 242 HZ2 LYS 29 HZ2 LYS 29 6.358 -3.694 -9.239 243 HZ3 LYS 29 HZ3 LYS 29 7.882 -3.590 -8.659 244 H ILE 30 H ILE 30 0.016 -4.574 -5.204 245 HA ILE 30 HA ILE 30 -0.491 -7.092 -3.935 246 HB ILE 30 HB ILE 30 -2.290 -5.888 -2.705 247 HG12 ILE 30 HG12 ILE 30 -1.345 -3.431 -4.203 248 HG13 ILE 30 HG13 ILE 30 -2.844 -4.286 -4.609 249 HG21 ILE 30 HG21 ILE 30 -0.792 -4.528 -1.381 250 HG22 ILE 30 HG22 ILE 30 0.097 -5.944 -1.948 251 HG23 ILE 30 HG23 ILE 30 0.344 -4.362 -2.731 252 HD11 ILE 30 HD11 ILE 30 -3.730 -3.810 -2.360 253 HD12 ILE 30 HD12 ILE 30 -2.258 -2.857 -2.001 254 HD13 ILE 30 HD13 ILE 30 -3.364 -2.352 -3.286 255 H GLN 31 H GLN 31 -2.107 -5.543 -6.739 256 HA GLN 31 HA GLN 31 -4.570 -7.046 -6.482 257 HB2 GLN 31 HB2 GLN 31 -3.294 -5.928 -9.002 258 HB3 GLN 31 HB3 GLN 31 -4.994 -6.275 -8.747 259 HG2 GLN 31 HG2 GLN 31 -5.227 -4.326 -7.300 260 HG3 GLN 31 HG3 GLN 31 -3.485 -4.065 -7.298 261 HE21 GLN 31 HE21 GLN 31 -4.428 -1.601 -9.756 262 HE22 GLN 31 HE22 GLN 31 -4.487 -1.823 -8.017 263 H ASP 32 H ASP 32 -1.341 -7.630 -7.756 264 HA ASP 32 HA ASP 32 -2.043 -9.868 -9.490 265 HB2 ASP 32 HB2 ASP 32 -0.100 -8.894 -10.197 266 HB3 ASP 32 HB3 ASP 32 0.424 -8.437 -8.598 267 H LYS 33 H LYS 33 -0.822 -9.478 -6.126 268 HA LYS 33 HA LYS 33 -0.897 -12.393 -5.775 269 HB2 LYS 33 HB2 LYS 33 0.108 -10.095 -4.113 270 HB3 LYS 33 HB3 LYS 33 -0.157 -11.681 -3.379 271 HG2 LYS 33 HG2 LYS 33 1.248 -12.740 -5.125 272 HG3 LYS 33 HG3 LYS 33 1.603 -11.143 -5.815 273 HD2 LYS 33 HD2 LYS 33 2.706 -10.445 -3.758 274 HD3 LYS 33 HD3 LYS 33 2.191 -11.914 -2.924 275 HE2 LYS 33 HE2 LYS 33 4.040 -11.894 -5.344 276 HE3 LYS 33 HE3 LYS 33 4.612 -11.887 -3.676 277 HZ1 LYS 33 HZ1 LYS 33 3.532 -14.006 -3.319 278 HZ2 LYS 33 HZ2 LYS 33 2.917 -14.032 -4.833 279 HZ3 LYS 33 HZ3 LYS 33 4.537 -14.123 -4.600 280 H GLU 34 H GLU 34 -3.325 -9.894 -5.061 281 HA GLU 34 HA GLU 34 -4.854 -12.014 -3.648 282 HB2 GLU 34 HB2 GLU 34 -3.718 -10.328 -2.045 283 HB3 GLU 34 HB3 GLU 34 -4.729 -9.109 -2.754 284 HG2 GLU 34 HG2 GLU 34 -5.844 -9.690 -0.784 285 HG3 GLU 34 HG3 GLU 34 -6.760 -10.562 -1.997 286 H GLY 35 H GLY 35 -7.233 -11.602 -3.786 287 HA2 GLY 35 HA2 GLY 35 -7.976 -10.536 -6.377 288 HA3 GLY 35 HA3 GLY 35 -9.008 -11.324 -5.181 289 H ILE 36 H ILE 36 -7.051 -8.289 -5.408 290 HA ILE 36 HA ILE 36 -9.447 -6.794 -4.457 291 HB ILE 36 HB ILE 36 -8.013 -5.381 -3.076 292 HG12 ILE 36 HG12 ILE 36 -5.850 -7.465 -3.599 293 HG13 ILE 36 HG13 ILE 36 -5.763 -5.746 -3.933 294 HG21 ILE 36 HG21 ILE 36 -9.418 -7.290 -2.242 295 HG22 ILE 36 HG22 ILE 36 -7.970 -8.315 -2.236 296 HG23 ILE 36 HG23 ILE 36 -8.080 -6.883 -1.189 297 HD11 ILE 36 HD11 ILE 36 -5.795 -7.009 -1.185 298 HD12 ILE 36 HD12 ILE 36 -4.481 -6.138 -1.978 299 HD13 ILE 36 HD13 ILE 36 -5.951 -5.263 -1.504 300 HA PRO 37 HA PRO 37 -8.093 -4.742 -8.295 301 HB2 PRO 37 HB2 PRO 37 -10.488 -3.551 -8.924 302 HB3 PRO 37 HB3 PRO 37 -10.259 -5.313 -9.084 303 HG2 PRO 37 HG2 PRO 37 -11.482 -3.802 -6.765 304 HG3 PRO 37 HG3 PRO 37 -12.176 -5.195 -7.662 305 HD2 PRO 37 HD2 PRO 37 -10.812 -5.487 -5.324 306 HD3 PRO 37 HD3 PRO 37 -10.667 -6.692 -6.646 307 HA PRO 38 HA PRO 38 -7.466 -0.614 -6.565 308 HB2 PRO 38 HB2 PRO 38 -7.287 1.062 -8.695 309 HB3 PRO 38 HB3 PRO 38 -6.104 -0.236 -8.438 310 HG2 PRO 38 HG2 PRO 38 -8.506 -0.227 -10.272 311 HG3 PRO 38 HG3 PRO 38 -6.847 -0.783 -10.634 312 HD2 PRO 38 HD2 PRO 38 -8.907 -2.476 -9.907 313 HD3 PRO 38 HD3 PRO 38 -7.191 -2.831 -9.565 314 H ASP 39 H ASP 39 -9.877 -1.355 -5.948 315 HA ASP 39 HA ASP 39 -11.674 0.940 -6.208 316 HB2 ASP 39 HB2 ASP 39 -12.277 -0.789 -7.966 317 HB3 ASP 39 HB3 ASP 39 -12.598 -1.920 -6.649 318 H GLN 40 H GLN 40 -12.554 1.261 -4.202 319 HA GLN 40 HA GLN 40 -12.726 1.212 -1.932 320 HB2 GLN 40 HB2 GLN 40 -13.121 -1.792 -2.233 321 HB3 GLN 40 HB3 GLN 40 -13.687 -0.763 -0.940 322 HG2 GLN 40 HG2 GLN 40 -14.715 -0.912 -3.787 323 HG3 GLN 40 HG3 GLN 40 -15.557 -1.349 -2.301 324 HE21 GLN 40 HE21 GLN 40 -15.819 2.419 -3.708 325 HE22 GLN 40 HE22 GLN 40 -15.371 0.994 -4.625 326 H ASN 41 H ASN 41 -10.136 1.364 -2.763 327 HA ASN 41 HA ASN 41 -8.676 0.110 -0.571 328 HB2 ASN 41 HB2 ASN 41 -8.160 -0.555 -3.502 329 HB3 ASN 41 HB3 ASN 41 -6.855 -0.559 -2.328 330 HD21 ASN 41 HD21 ASN 41 -9.473 -3.689 -2.380 331 HD22 ASN 41 HD22 ASN 41 -9.564 -2.396 -3.528 332 H ARG 42 H ARG 42 -7.178 1.458 0.158 333 HA ARG 42 HA ARG 42 -5.836 3.464 -1.489 334 HB2 ARG 42 HB2 ARG 42 -7.882 4.573 -0.705 335 HB3 ARG 42 HB3 ARG 42 -7.503 4.148 0.976 336 HG2 ARG 42 HG2 ARG 42 -5.541 5.617 0.916 337 HG3 ARG 42 HG3 ARG 42 -5.811 5.984 -0.792 338 HD2 ARG 42 HD2 ARG 42 -7.854 6.554 1.401 339 HD3 ARG 42 HD3 ARG 42 -6.657 7.725 0.876 340 HE ARG 42 HE ARG 42 -8.944 6.675 -0.706 341 HH11 ARG 42 HH11 ARG 42 -6.491 9.253 -0.383 342 HH12 ARG 42 HH12 ARG 42 -6.513 9.636 -2.080 343 HH21 ARG 42 HH21 ARG 42 -9.543 7.786 -2.678 344 HH22 ARG 42 HH22 ARG 42 -8.601 9.161 -3.148 345 H LEU 43 H LEU 43 -3.732 3.503 -0.691 346 HA LEU 43 HA LEU 43 -3.132 1.532 1.414 347 HB2 LEU 43 HB2 LEU 43 -1.996 1.776 -0.908 348 HB3 LEU 43 HB3 LEU 43 -1.187 3.185 -0.233 349 HG LEU 43 HG LEU 43 -0.224 1.662 1.562 350 HD11 LEU 43 HD11 LEU 43 -1.834 -0.208 1.482 351 HD12 LEU 43 HD12 LEU 43 -1.365 -0.557 -0.194 352 HD13 LEU 43 HD13 LEU 43 -0.202 -0.773 1.131 353 HD21 LEU 43 HD21 LEU 43 1.406 0.583 -0.036 354 HD22 LEU 43 HD22 LEU 43 0.322 0.991 -1.376 355 HD23 LEU 43 HD23 LEU 43 1.089 2.273 -0.422 356 H ILE 44 H ILE 44 -2.184 2.029 3.409 357 HA ILE 44 HA ILE 44 -1.816 4.903 4.112 358 HB ILE 44 HB ILE 44 -3.052 2.784 5.901 359 HG12 ILE 44 HG12 ILE 44 -4.657 3.006 4.056 360 HG13 ILE 44 HG13 ILE 44 -5.265 3.533 5.602 361 HG21 ILE 44 HG21 ILE 44 -3.886 4.734 7.205 362 HG22 ILE 44 HG22 ILE 44 -2.129 4.653 7.123 363 HG23 ILE 44 HG23 ILE 44 -3.015 5.815 6.115 364 HD11 ILE 44 HD11 ILE 44 -5.990 5.025 3.764 365 HD12 ILE 44 HD12 ILE 44 -5.050 5.875 4.990 366 HD13 ILE 44 HD13 ILE 44 -4.314 5.433 3.432 367 H PHE 45 H PHE 45 -0.089 5.255 5.608 368 HA PHE 45 HA PHE 45 1.337 2.870 6.704 369 HB2 PHE 45 HB2 PHE 45 2.672 3.503 4.764 370 HB3 PHE 45 HB3 PHE 45 2.647 5.193 5.242 371 HD1 PHE 45 HD1 PHE 45 3.455 1.876 6.922 372 HD2 PHE 45 HD2 PHE 45 4.699 5.943 6.121 373 HE1 PHE 45 HE1 PHE 45 5.493 1.542 8.281 374 HE2 PHE 45 HE2 PHE 45 6.758 5.563 7.431 375 HZ PHE 45 HZ PHE 45 7.167 3.359 8.496 376 H ALA 46 H ALA 46 1.235 3.117 8.877 377 HA ALA 46 HA ALA 46 0.974 4.046 10.913 378 HB1 ALA 46 HB1 ALA 46 3.378 4.450 10.405 379 HB2 ALA 46 HB2 ALA 46 2.972 6.103 9.902 380 HB3 ALA 46 HB3 ALA 46 2.690 5.598 11.580 381 H GLY 47 H GLY 47 -1.128 4.664 9.322 382 HA2 GLY 47 HA2 GLY 47 -3.005 5.965 9.425 383 HA3 GLY 47 HA3 GLY 47 -2.171 7.081 10.511 384 H LYS 48 H LYS 48 -0.049 7.179 7.989 385 HA LYS 48 HA LYS 48 -1.316 9.609 6.919 386 HB2 LYS 48 HB2 LYS 48 1.098 9.563 7.357 387 HB3 LYS 48 HB3 LYS 48 1.310 8.219 6.228 388 HG2 LYS 48 HG2 LYS 48 1.217 9.515 4.385 389 HG3 LYS 48 HG3 LYS 48 -0.061 10.550 4.999 390 HD2 LYS 48 HD2 LYS 48 2.836 10.757 5.911 391 HD3 LYS 48 HD3 LYS 48 2.121 11.704 4.586 392 HE2 LYS 48 HE2 LYS 48 0.459 12.673 6.070 393 HE3 LYS 48 HE3 LYS 48 1.016 11.698 7.434 394 HZ1 LYS 48 HZ1 LYS 48 2.664 13.694 6.018 395 HZ2 LYS 48 HZ2 LYS 48 1.886 13.998 7.414 396 HZ3 LYS 48 HZ3 LYS 48 3.084 12.861 7.399 397 H GLN 49 H GLN 49 -2.551 9.640 5.119 398 HA GLN 49 HA GLN 49 -3.127 7.167 3.710 399 HB2 GLN 49 HB2 GLN 49 -3.992 9.989 2.917 400 HB3 GLN 49 HB3 GLN 49 -4.683 8.460 2.405 401 HG2 GLN 49 HG2 GLN 49 -6.196 9.312 3.963 402 HG3 GLN 49 HG3 GLN 49 -5.353 8.038 4.825 403 HE21 GLN 49 HE21 GLN 49 -5.221 10.523 7.421 404 HE22 GLN 49 HE22 GLN 49 -5.879 8.975 6.934 405 H LEU 50 H LEU 50 -2.314 6.548 1.720 406 HA LEU 50 HA LEU 50 -0.300 8.320 0.451 407 HB2 LEU 50 HB2 LEU 50 -0.276 5.335 0.198 408 HB3 LEU 50 HB3 LEU 50 1.058 6.469 0.066 409 HG LEU 50 HG LEU 50 -0.268 5.667 2.699 410 HD11 LEU 50 HD11 LEU 50 2.240 4.575 1.394 411 HD12 LEU 50 HD12 LEU 50 1.624 4.177 3.011 412 HD13 LEU 50 HD13 LEU 50 0.696 3.734 1.585 413 HD21 LEU 50 HD21 LEU 50 1.003 7.858 2.663 414 HD22 LEU 50 HD22 LEU 50 1.629 6.642 3.785 415 HD23 LEU 50 HD23 LEU 50 2.444 6.918 2.227 416 H GLU 51 H GLU 51 -0.153 8.136 -1.820 417 HA GLU 51 HA GLU 51 -1.871 6.463 -3.367 418 HB2 GLU 51 HB2 GLU 51 -2.963 8.484 -4.510 419 HB3 GLU 51 HB3 GLU 51 -3.635 7.843 -3.015 420 HG2 GLU 51 HG2 GLU 51 -2.570 9.716 -1.749 421 HG3 GLU 51 HG3 GLU 51 -1.937 10.339 -3.281 422 H ASP 52 H ASP 52 -1.661 7.235 -5.738 423 HA ASP 52 HA ASP 52 1.113 7.106 -6.323 424 HB2 ASP 52 HB2 ASP 52 0.266 7.194 -8.728 425 HB3 ASP 52 HB3 ASP 52 -0.269 5.876 -7.699 426 H GLY 53 H GLY 53 2.232 8.340 -7.821 427 HA2 GLY 53 HA2 GLY 53 2.800 10.359 -8.912 428 HA3 GLY 53 HA3 GLY 53 1.867 11.283 -7.719 429 H ARG 54 H ARG 54 2.846 9.502 -5.488 430 HA ARG 54 HA ARG 54 5.632 10.510 -5.214 431 HB2 ARG 54 HB2 ARG 54 3.397 10.430 -3.218 432 HB3 ARG 54 HB3 ARG 54 5.082 10.333 -2.666 433 HG2 ARG 54 HG2 ARG 54 5.585 12.392 -4.021 434 HG3 ARG 54 HG3 ARG 54 3.874 12.490 -4.429 435 HD2 ARG 54 HD2 ARG 54 3.642 12.502 -1.745 436 HD3 ARG 54 HD3 ARG 54 5.310 13.118 -1.858 437 HE ARG 54 HE ARG 54 3.730 14.455 -3.769 438 HH11 ARG 54 HH11 ARG 54 4.038 14.470 -0.255 439 HH12 ARG 54 HH12 ARG 54 3.645 16.160 -0.108 440 HH21 ARG 54 HH21 ARG 54 3.261 16.527 -3.644 441 HH22 ARG 54 HH22 ARG 54 3.317 17.431 -2.167 442 H THR 55 H THR 55 7.022 9.315 -3.717 443 HA THR 55 HA THR 55 6.802 6.404 -4.228 444 HB THR 55 HB THR 55 9.240 6.447 -4.403 445 HG1 THR 55 HG1 THR 55 8.999 9.270 -3.969 446 HG21 THR 55 HG21 THR 55 9.513 7.634 -6.499 447 HG22 THR 55 HG22 THR 55 7.952 6.815 -6.469 448 HG23 THR 55 HG23 THR 55 8.043 8.578 -6.224 449 H LEU 56 H LEU 56 8.392 5.151 -2.748 450 HA LEU 56 HA LEU 56 7.405 5.179 -0.145 451 HB2 LEU 56 HB2 LEU 56 9.803 3.913 -1.435 452 HB3 LEU 56 HB3 LEU 56 9.822 4.058 0.313 453 HG LEU 56 HG LEU 56 7.422 2.983 0.193 454 HD11 LEU 56 HD11 LEU 56 8.721 1.968 -2.374 455 HD12 LEU 56 HD12 LEU 56 7.234 1.335 -1.663 456 HD13 LEU 56 HD13 LEU 56 7.322 2.987 -2.308 457 HD21 LEU 56 HD21 LEU 56 9.938 1.359 -0.279 458 HD22 LEU 56 HD22 LEU 56 9.364 1.980 1.292 459 HD23 LEU 56 HD23 LEU 56 8.420 0.763 0.428 460 H SER 57 H SER 57 10.519 6.622 -1.268 461 HA SER 57 HA SER 57 11.238 7.511 1.315 462 HB2 SER 57 HB2 SER 57 12.639 7.331 -0.932 463 HB3 SER 57 HB3 SER 57 12.199 9.040 -1.082 464 HG SER 57 HG SER 57 13.954 9.123 0.181 465 H ASP 58 H ASP 58 9.059 9.024 -1.071 466 HA ASP 58 HA ASP 58 9.095 11.666 0.082 467 HB2 ASP 58 HB2 ASP 58 6.913 10.253 -1.471 468 HB3 ASP 58 HB3 ASP 58 6.948 11.978 -1.065 469 H TYR 59 H TYR 59 6.960 8.850 0.527 470 HA TYR 59 HA TYR 59 5.551 10.148 2.736 471 HB2 TYR 59 HB2 TYR 59 5.564 7.309 1.648 472 HB3 TYR 59 HB3 TYR 59 4.509 7.865 2.937 473 HD1 TYR 59 HD1 TYR 59 3.025 10.003 2.411 474 HD2 TYR 59 HD2 TYR 59 4.792 7.467 -0.605 475 HE1 TYR 59 HE1 TYR 59 1.282 10.674 0.830 476 HE2 TYR 59 HE2 TYR 59 3.098 8.224 -2.226 477 HH TYR 59 HH TYR 59 1.129 9.423 -2.550 478 H ASN 60 H ASN 60 8.542 8.781 2.435 479 HA ASN 60 HA ASN 60 10.232 8.157 3.680 480 HB2 ASN 60 HB2 ASN 60 9.721 10.289 4.781 481 HB3 ASN 60 HB3 ASN 60 8.711 9.412 5.948 482 HD21 ASN 60 HD21 ASN 60 11.465 9.035 8.105 483 HD22 ASN 60 HD22 ASN 60 9.818 9.564 7.823 484 H ILE 61 H ILE 61 8.586 6.192 3.045 485 HA ILE 61 HA ILE 61 7.995 4.430 5.302 486 HB ILE 61 HB ILE 61 7.891 4.104 2.270 487 HG12 ILE 61 HG12 ILE 61 5.550 4.393 4.182 488 HG13 ILE 61 HG13 ILE 61 6.275 5.791 3.398 489 HG21 ILE 61 HG21 ILE 61 6.719 2.276 4.423 490 HG22 ILE 61 HG22 ILE 61 6.535 2.074 2.667 491 HG23 ILE 61 HG23 ILE 61 8.119 1.893 3.399 492 HD11 ILE 61 HD11 ILE 61 4.317 5.137 2.193 493 HD12 ILE 61 HD12 ILE 61 5.729 4.818 1.178 494 HD13 ILE 61 HD13 ILE 61 4.899 3.480 1.996 495 H GLN 62 H GLN 62 9.510 3.079 6.145 496 HA GLN 62 HA GLN 62 12.113 2.768 4.738 497 HB2 GLN 62 HB2 GLN 62 11.411 2.146 7.638 498 HB3 GLN 62 HB3 GLN 62 13.012 2.096 6.891 499 HG2 GLN 62 HG2 GLN 62 11.315 4.526 7.510 500 HG3 GLN 62 HG3 GLN 62 12.936 4.146 8.079 501 HE21 GLN 62 HE21 GLN 62 12.507 6.391 4.759 502 HE22 GLN 62 HE22 GLN 62 11.251 6.097 5.941 503 H LYS 63 H LYS 63 13.169 0.513 5.292 504 HA LYS 63 HA LYS 63 11.439 -1.357 3.938 505 HB2 LYS 63 HB2 LYS 63 13.206 -2.847 3.824 506 HB3 LYS 63 HB3 LYS 63 13.875 -1.253 3.504 507 HG2 LYS 63 HG2 LYS 63 14.928 -1.184 5.699 508 HG3 LYS 63 HG3 LYS 63 14.101 -2.681 6.183 509 HD2 LYS 63 HD2 LYS 63 15.208 -3.842 4.222 510 HD3 LYS 63 HD3 LYS 63 16.186 -2.390 3.971 511 HE2 LYS 63 HE2 LYS 63 17.227 -2.627 6.139 512 HE3 LYS 63 HE3 LYS 63 16.017 -3.827 6.635 513 HZ1 LYS 63 HZ1 LYS 63 17.968 -4.308 4.474 514 HZ2 LYS 63 HZ2 LYS 63 18.123 -4.834 6.040 515 HZ3 LYS 63 HZ3 LYS 63 16.901 -5.382 5.096 516 H GLU 64 H GLU 64 10.948 -3.506 4.633 517 HA GLU 64 HA GLU 64 9.669 -4.798 5.837 518 HB2 GLU 64 HB2 GLU 64 11.939 -4.317 7.783 519 HB3 GLU 64 HB3 GLU 64 10.633 -5.469 8.067 520 HG2 GLU 64 HG2 GLU 64 12.270 -6.791 7.093 521 HG3 GLU 64 HG3 GLU 64 11.131 -6.507 5.796 522 H SER 65 H SER 65 8.589 -2.285 5.619 523 HA SER 65 HA SER 65 7.475 -1.520 8.223 524 HB2 SER 65 HB2 SER 65 6.301 0.170 6.646 525 HB3 SER 65 HB3 SER 65 8.033 0.356 6.953 526 HG SER 65 HG SER 65 8.450 -0.038 4.957 527 H THR 66 H THR 66 5.028 -1.302 8.357 528 HA THR 66 HA THR 66 3.604 -3.349 6.718 529 HB THR 66 HB THR 66 3.275 -3.033 9.711 530 HG1 THR 66 HG1 THR 66 5.113 -4.269 9.184 531 HG21 THR 66 HG21 THR 66 1.987 -4.879 7.634 532 HG22 THR 66 HG22 THR 66 1.752 -4.979 9.390 533 HG23 THR 66 HG23 THR 66 1.164 -3.565 8.487 534 H LEU 67 H LEU 67 2.362 -2.363 5.488 535 HA LEU 67 HA LEU 67 1.120 0.241 6.174 536 HB2 LEU 67 HB2 LEU 67 1.539 -1.286 3.567 537 HB3 LEU 67 HB3 LEU 67 0.632 0.209 3.702 538 HG LEU 67 HG LEU 67 2.712 1.341 4.568 539 HD11 LEU 67 HD11 LEU 67 4.920 0.287 3.849 540 HD12 LEU 67 HD12 LEU 67 4.202 -0.401 5.285 541 HD13 LEU 67 HD13 LEU 67 4.058 -1.261 3.734 542 HD21 LEU 67 HD21 LEU 67 3.718 1.540 2.304 543 HD22 LEU 67 HD22 LEU 67 2.827 0.100 1.790 544 HD23 LEU 67 HD23 LEU 67 1.961 1.588 2.257 545 H HIS 68 H HIS 68 -1.156 0.481 5.513 546 HA HIS 68 HA HIS 68 -2.771 -2.028 5.786 547 HB2 HIS 68 HB2 HIS 68 -3.155 0.738 6.997 548 HB3 HIS 68 HB3 HIS 68 -4.487 -0.389 6.804 549 HD1 HIS 68 HD1 HIS 68 -1.465 0.191 9.058 550 HD2 HIS 68 HD2 HIS 68 -4.538 -2.615 8.301 551 HE1 HIS 68 HE1 HIS 68 -1.529 -1.375 11.048 552 H LEU 69 H LEU 69 -4.892 -1.910 4.805 553 HA LEU 69 HA LEU 69 -5.139 -0.072 2.495 554 HB2 LEU 69 HB2 LEU 69 -5.583 -3.058 2.732 555 HB3 LEU 69 HB3 LEU 69 -6.452 -2.113 1.529 556 HG LEU 69 HG LEU 69 -3.419 -2.002 1.722 557 HD11 LEU 69 HD11 LEU 69 -4.005 -4.331 1.397 558 HD12 LEU 69 HD12 LEU 69 -5.122 -3.902 0.076 559 HD13 LEU 69 HD13 LEU 69 -3.364 -3.677 -0.095 560 HD21 LEU 69 HD21 LEU 69 -5.373 -1.419 -0.552 561 HD22 LEU 69 HD22 LEU 69 -4.510 -0.198 0.405 562 HD23 LEU 69 HD23 LEU 69 -3.609 -1.288 -0.649 563 H VAL 70 H VAL 70 -7.046 1.073 2.604 564 HA VAL 70 HA VAL 70 -9.247 -0.031 4.228 565 HB VAL 70 HB VAL 70 -9.531 1.995 5.504 566 HG11 VAL 70 HG11 VAL 70 -6.573 1.323 5.769 567 HG12 VAL 70 HG12 VAL 70 -7.646 2.025 6.996 568 HG13 VAL 70 HG13 VAL 70 -7.898 0.366 6.461 569 HG21 VAL 70 HG21 VAL 70 -7.179 3.113 3.953 570 HG22 VAL 70 HG22 VAL 70 -8.840 3.724 3.991 571 HG23 VAL 70 HG23 VAL 70 -7.832 3.865 5.432 572 H LEU 71 H LEU 71 -11.264 1.092 3.870 573 HA LEU 71 HA LEU 71 -11.422 2.737 1.406 574 HB2 LEU 71 HB2 LEU 71 -13.212 1.452 0.553 575 HB3 LEU 71 HB3 LEU 71 -11.882 0.374 0.893 576 HG LEU 71 HG LEU 71 -13.546 0.436 3.258 577 HD11 LEU 71 HD11 LEU 71 -15.379 1.220 1.766 578 HD12 LEU 71 HD12 LEU 71 -15.127 -0.187 0.726 579 HD13 LEU 71 HD13 LEU 71 -15.666 -0.397 2.400 580 HD21 LEU 71 HD21 LEU 71 -13.145 -1.742 1.173 581 HD22 LEU 71 HD22 LEU 71 -12.082 -1.416 2.557 582 HD23 LEU 71 HD23 LEU 71 -13.740 -1.961 2.833 583 H ARG 72 H ARG 72 -14.044 3.244 1.345 584 HA ARG 72 HA ARG 72 -15.216 3.854 3.895 585 HB2 ARG 72 HB2 ARG 72 -13.484 5.806 3.224 586 HB3 ARG 72 HB3 ARG 72 -14.706 6.200 2.013 587 HG2 ARG 72 HG2 ARG 72 -15.214 7.578 3.878 588 HG3 ARG 72 HG3 ARG 72 -16.399 6.262 3.941 589 HD2 ARG 72 HD2 ARG 72 -14.540 5.122 5.497 590 HD3 ARG 72 HD3 ARG 72 -13.990 6.776 5.711 591 HE ARG 72 HE ARG 72 -16.700 6.958 6.163 592 HH11 ARG 72 HH11 ARG 72 -14.084 5.058 7.688 593 HH12 ARG 72 HH12 ARG 72 -15.104 4.538 8.992 594 HH21 ARG 72 HH21 ARG 72 -17.936 6.330 7.843 595 HH22 ARG 72 HH22 ARG 72 -17.377 5.224 9.077 596 H LEU 73 H LEU 73 -17.512 3.887 3.453 597 HA LEU 73 HA LEU 73 -18.352 4.082 0.628 598 HB2 LEU 73 HB2 LEU 73 -17.791 1.622 1.691 599 HB3 LEU 73 HB3 LEU 73 -19.439 1.792 2.266 600 HG LEU 73 HG LEU 73 -18.525 2.050 -0.636 601 HD11 LEU 73 HD11 LEU 73 -19.505 -0.204 -0.904 602 HD12 LEU 73 HD12 LEU 73 -18.162 -0.206 0.252 603 HD13 LEU 73 HD13 LEU 73 -19.848 -0.250 0.853 604 HD21 LEU 73 HD21 LEU 73 -21.330 1.786 0.543 605 HD22 LEU 73 HD22 LEU 73 -20.656 3.226 -0.302 606 HD23 LEU 73 HD23 LEU 73 -20.933 1.737 -1.179 607 H ARG 74 H ARG 74 -20.263 5.340 0.619 608 HA ARG 74 HA ARG 74 -21.393 5.911 3.298 609 HB2 ARG 74 HB2 ARG 74 -21.745 7.350 0.661 610 HB3 ARG 74 HB3 ARG 74 -22.614 7.758 2.139 611 HG2 ARG 74 HG2 ARG 74 -19.614 7.894 1.662 612 HG3 ARG 74 HG3 ARG 74 -20.724 9.233 1.930 613 HD2 ARG 74 HD2 ARG 74 -19.953 7.120 4.008 614 HD3 ARG 74 HD3 ARG 74 -19.318 8.727 3.928 615 HE ARG 74 HE ARG 74 -21.972 7.900 4.854 616 HH11 ARG 74 HH11 ARG 74 -19.881 10.642 3.993 617 HH12 ARG 74 HH12 ARG 74 -20.749 11.789 4.949 618 HH21 ARG 74 HH21 ARG 74 -23.169 9.452 6.087 619 HH22 ARG 74 HH22 ARG 74 -22.793 11.134 5.948 620 H GLY 75 H GLY 75 -21.958 3.602 1.073 621 HA2 GLY 75 HA2 GLY 75 -24.877 3.466 1.425 622 HA3 GLY 75 HA3 GLY 75 -23.822 2.320 0.560 623 H GLY 76 H GLY 76 -23.394 3.675 3.852 624 HA2 GLY 76 HA2 GLY 76 -24.225 1.691 5.540 625 HA3 GLY 76 HA3 GLY 76 -22.513 1.353 5.169 Start of MODEL 6 1 H1 MET 1 H MET 1 14.966 -5.257 -1.176 2 HA MET 1 HA MET 1 14.450 -4.459 1.621 3 HB2 MET 1 HB2 MET 1 15.169 -2.527 0.236 4 HB3 MET 1 HB3 MET 1 13.867 -2.854 -0.905 5 HG2 MET 1 HG2 MET 1 12.196 -2.493 0.890 6 HG3 MET 1 HG3 MET 1 13.506 -2.213 2.042 7 HE1 MET 1 HE1 MET 1 11.987 1.320 1.855 8 HE2 MET 1 HE2 MET 1 11.135 -0.246 1.867 9 HE3 MET 1 HE3 MET 1 12.566 0.002 2.888 10 H GLN 2 H GLN 2 12.600 -5.447 2.402 11 HA GLN 2 HA GLN 2 10.416 -5.937 0.464 12 HB2 GLN 2 HB2 GLN 2 9.821 -7.919 1.793 13 HB3 GLN 2 HB3 GLN 2 11.362 -8.080 0.961 14 HG2 GLN 2 HG2 GLN 2 12.610 -7.755 3.018 15 HG3 GLN 2 HG3 GLN 2 11.147 -7.310 3.899 16 HE21 GLN 2 HE21 GLN 2 9.872 -10.711 4.143 17 HE22 GLN 2 HE22 GLN 2 9.406 -9.019 3.996 18 H ILE 3 H ILE 3 8.302 -5.708 1.336 19 HA ILE 3 HA ILE 3 8.065 -4.320 3.944 20 HB ILE 3 HB ILE 3 6.530 -2.668 3.070 21 HG12 ILE 3 HG12 ILE 3 7.284 -3.492 0.234 22 HG13 ILE 3 HG13 ILE 3 5.803 -4.015 1.032 23 HG21 ILE 3 HG21 ILE 3 8.163 -1.165 2.102 24 HG22 ILE 3 HG22 ILE 3 8.955 -2.170 3.318 25 HG23 ILE 3 HG23 ILE 3 9.196 -2.524 1.603 26 HD11 ILE 3 HD11 ILE 3 5.318 -2.107 -0.371 27 HD12 ILE 3 HD12 ILE 3 5.077 -1.676 1.332 28 HD13 ILE 3 HD13 ILE 3 6.526 -1.117 0.466 29 H PHE 4 H PHE 4 5.601 -4.200 4.534 30 HA PHE 4 HA PHE 4 4.265 -6.656 3.604 31 HB2 PHE 4 HB2 PHE 4 4.332 -5.578 6.439 32 HB3 PHE 4 HB3 PHE 4 3.435 -6.975 5.891 33 HD1 PHE 4 HD1 PHE 4 4.748 -9.016 4.998 34 HD2 PHE 4 HD2 PHE 4 6.540 -5.825 7.288 35 HE1 PHE 4 HE1 PHE 4 6.586 -10.534 5.675 36 HE2 PHE 4 HE2 PHE 4 8.372 -7.354 7.974 37 HZ PHE 4 HZ PHE 4 8.407 -9.706 7.168 38 H VAL 5 H VAL 5 1.932 -6.500 3.615 39 HA VAL 5 HA VAL 5 0.769 -3.827 4.161 40 HB VAL 5 HB VAL 5 0.138 -5.321 1.589 41 HG11 VAL 5 HG11 VAL 5 -1.624 -3.841 2.427 42 HG12 VAL 5 HG12 VAL 5 -0.472 -2.500 2.568 43 HG13 VAL 5 HG13 VAL 5 -0.901 -3.155 0.973 44 HG21 VAL 5 HG21 VAL 5 1.383 -3.551 0.360 45 HG22 VAL 5 HG22 VAL 5 2.041 -2.957 1.902 46 HG23 VAL 5 HG23 VAL 5 2.449 -4.582 1.311 47 H LYS 6 H LYS 6 -1.204 -4.018 5.182 48 HA LYS 6 HA LYS 6 -2.243 -6.766 5.559 49 HB2 LYS 6 HB2 LYS 6 -1.547 -5.378 7.604 50 HB3 LYS 6 HB3 LYS 6 -2.942 -4.344 7.233 51 HG2 LYS 6 HG2 LYS 6 -3.915 -5.840 8.696 52 HG3 LYS 6 HG3 LYS 6 -4.285 -6.627 7.181 53 HD2 LYS 6 HD2 LYS 6 -3.490 -8.415 8.451 54 HD3 LYS 6 HD3 LYS 6 -2.039 -7.938 7.571 55 HE2 LYS 6 HE2 LYS 6 -1.378 -8.255 9.838 56 HE3 LYS 6 HE3 LYS 6 -1.392 -6.507 9.571 57 HZ1 LYS 6 HZ1 LYS 6 -3.568 -6.442 10.627 58 HZ2 LYS 6 HZ2 LYS 6 -3.547 -8.066 10.889 59 HZ3 LYS 6 HZ3 LYS 6 -2.460 -7.069 11.649 60 H THR 7 H THR 7 -4.092 -7.275 4.446 61 HA THR 7 HA THR 7 -5.451 -5.202 2.911 62 HB THR 7 HB THR 7 -6.858 -7.037 2.125 63 HG1 THR 7 HG1 THR 7 -7.058 -8.841 3.179 64 HG21 THR 7 HG21 THR 7 -5.196 -8.518 1.123 65 HG22 THR 7 HG22 THR 7 -4.604 -6.850 1.086 66 HG23 THR 7 HG23 THR 7 -3.966 -7.997 2.283 67 H LEU 8 H LEU 8 -7.941 -5.173 3.010 68 HA LEU 8 HA LEU 8 -8.773 -4.364 5.643 69 HB2 LEU 8 HB2 LEU 8 -10.818 -3.801 4.664 70 HB3 LEU 8 HB3 LEU 8 -9.615 -3.415 3.470 71 HG LEU 8 HG LEU 8 -11.541 -5.799 3.476 72 HD11 LEU 8 HD11 LEU 8 -12.531 -3.620 2.907 73 HD12 LEU 8 HD12 LEU 8 -11.312 -3.378 1.637 74 HD13 LEU 8 HD13 LEU 8 -12.494 -4.676 1.499 75 HD21 LEU 8 HD21 LEU 8 -9.421 -5.127 1.405 76 HD22 LEU 8 HD22 LEU 8 -9.533 -6.626 2.345 77 HD23 LEU 8 HD23 LEU 8 -10.755 -6.251 1.144 78 H THR 9 H THR 9 -8.571 -7.454 4.174 79 HA THR 9 HA THR 9 -10.760 -8.659 5.694 80 HB THR 9 HB THR 9 -9.855 -10.674 4.324 81 HG1 THR 9 HG1 THR 9 -8.853 -10.193 2.468 82 HG21 THR 9 HG21 THR 9 -11.199 -8.300 2.975 83 HG22 THR 9 HG22 THR 9 -11.189 -9.971 2.351 84 HG23 THR 9 HG23 THR 9 -12.007 -9.597 3.882 85 H GLY 10 H GLY 10 -7.422 -7.996 6.185 86 HA2 GLY 10 HA2 GLY 10 -6.402 -8.503 8.230 87 HA3 GLY 10 HA3 GLY 10 -7.357 -9.975 8.382 88 H LYS 11 H LYS 11 -6.087 -9.701 5.184 89 HA LYS 11 HA LYS 11 -4.236 -11.906 5.759 90 HB2 LYS 11 HB2 LYS 11 -4.616 -10.231 3.214 91 HB3 LYS 11 HB3 LYS 11 -3.713 -11.702 3.295 92 HG2 LYS 11 HG2 LYS 11 -6.723 -11.522 3.787 93 HG3 LYS 11 HG3 LYS 11 -5.992 -11.863 2.228 94 HD2 LYS 11 HD2 LYS 11 -5.778 -13.541 4.733 95 HD3 LYS 11 HD3 LYS 11 -6.708 -13.931 3.305 96 HE2 LYS 11 HE2 LYS 11 -3.664 -13.778 3.476 97 HE3 LYS 11 HE3 LYS 11 -4.629 -15.249 3.411 98 HZ1 LYS 11 HZ1 LYS 11 -4.544 -13.263 1.195 99 HZ2 LYS 11 HZ2 LYS 11 -3.683 -14.668 1.261 100 HZ3 LYS 11 HZ3 LYS 11 -5.298 -14.728 1.206 101 H THR 12 H THR 12 -1.906 -11.710 5.074 102 HA THR 12 HA THR 12 -0.837 -8.946 5.225 103 HB THR 12 HB THR 12 0.441 -11.494 6.295 104 HG1 THR 12 HG1 THR 12 0.233 -10.267 8.271 105 HG21 THR 12 HG21 THR 12 2.159 -9.949 7.181 106 HG22 THR 12 HG22 THR 12 2.079 -9.824 5.433 107 HG23 THR 12 HG23 THR 12 1.322 -8.568 6.438 108 H ILE 13 H ILE 13 0.406 -8.450 3.555 109 HA ILE 13 HA ILE 13 0.996 -10.469 1.450 110 HB ILE 13 HB ILE 13 0.657 -7.462 1.189 111 HG12 ILE 13 HG12 ILE 13 -1.504 -8.249 2.009 112 HG13 ILE 13 HG13 ILE 13 -1.591 -7.693 0.382 113 HG21 ILE 13 HG21 ILE 13 1.877 -8.421 -0.656 114 HG22 ILE 13 HG22 ILE 13 0.657 -9.683 -0.880 115 HG23 ILE 13 HG23 ILE 13 0.259 -7.984 -1.221 116 HD11 ILE 13 HD11 ILE 13 -2.933 -9.727 0.698 117 HD12 ILE 13 HD12 ILE 13 -1.612 -10.078 -0.429 118 HD13 ILE 13 HD13 ILE 13 -1.512 -10.623 1.260 119 H THR 14 H THR 14 3.171 -10.296 0.602 120 HA THR 14 HA THR 14 5.038 -8.486 2.052 121 HB THR 14 HB THR 14 5.496 -11.373 1.189 122 HG1 THR 14 HG1 THR 14 4.439 -11.346 3.172 123 HG21 THR 14 HG21 THR 14 7.329 -9.251 2.384 124 HG22 THR 14 HG22 THR 14 7.694 -10.976 2.458 125 HG23 THR 14 HG23 THR 14 7.567 -10.173 0.883 126 H LEU 15 H LEU 15 6.118 -7.146 0.602 127 HA LEU 15 HA LEU 15 6.137 -7.958 -2.284 128 HB2 LEU 15 HB2 LEU 15 5.630 -5.180 -1.159 129 HB3 LEU 15 HB3 LEU 15 5.792 -5.596 -2.858 130 HG LEU 15 HG LEU 15 3.522 -6.471 -1.019 131 HD11 LEU 15 HD11 LEU 15 2.208 -4.946 -2.504 132 HD12 LEU 15 HD12 LEU 15 3.437 -4.109 -1.546 133 HD13 LEU 15 HD13 LEU 15 3.717 -4.429 -3.269 134 HD21 LEU 15 HD21 LEU 15 4.005 -7.028 -3.971 135 HD22 LEU 15 HD22 LEU 15 3.796 -8.208 -2.690 136 HD23 LEU 15 HD23 LEU 15 2.424 -7.214 -3.177 137 H GLU 16 H GLU 16 7.832 -7.202 -3.470 138 HA GLU 16 HA GLU 16 10.296 -6.435 -1.988 139 HB2 GLU 16 HB2 GLU 16 10.402 -8.534 -3.244 140 HB3 GLU 16 HB3 GLU 16 9.853 -7.731 -4.723 141 HG2 GLU 16 HG2 GLU 16 11.906 -6.425 -4.840 142 HG3 GLU 16 HG3 GLU 16 12.382 -6.940 -3.216 143 H VAL 17 H VAL 17 10.654 -4.310 -2.090 144 HA VAL 17 HA VAL 17 9.818 -2.734 -4.471 145 HB VAL 17 HB VAL 17 8.994 -0.975 -2.996 146 HG11 VAL 17 HG11 VAL 17 7.398 -2.693 -3.815 147 HG12 VAL 17 HG12 VAL 17 7.602 -3.595 -2.298 148 HG13 VAL 17 HG13 VAL 17 6.912 -1.958 -2.280 149 HG21 VAL 17 HG21 VAL 17 10.353 -1.403 -0.980 150 HG22 VAL 17 HG22 VAL 17 8.635 -1.339 -0.596 151 HG23 VAL 17 HG23 VAL 17 9.458 -2.911 -0.686 152 H GLU 18 H GLU 18 10.777 -0.302 -3.684 153 HA GLU 18 HA GLU 18 13.545 -0.569 -2.810 154 HB2 GLU 18 HB2 GLU 18 14.334 0.714 -4.802 155 HB3 GLU 18 HB3 GLU 18 13.730 -0.885 -5.238 156 HG2 GLU 18 HG2 GLU 18 11.645 0.046 -6.068 157 HG3 GLU 18 HG3 GLU 18 12.050 1.635 -5.407 158 HA PRO 19 HA PRO 19 12.453 3.243 -0.854 159 HB2 PRO 19 HB2 PRO 19 14.910 4.550 -2.022 160 HB3 PRO 19 HB3 PRO 19 14.357 4.521 -0.320 161 HG2 PRO 19 HG2 PRO 19 16.350 2.889 -1.077 162 HG3 PRO 19 HG3 PRO 19 15.029 2.220 -0.079 163 HD2 PRO 19 HD2 PRO 19 15.317 2.040 -3.095 164 HD3 PRO 19 HD3 PRO 19 14.991 0.736 -1.909 165 H SER 20 H SER 20 13.038 3.269 -4.319 166 HA SER 20 HA SER 20 11.526 5.797 -4.634 167 HB2 SER 20 HB2 SER 20 13.585 4.581 -6.481 168 HB3 SER 20 HB3 SER 20 12.752 6.130 -6.647 169 HG SER 20 HG SER 20 14.340 6.881 -5.604 170 H ASP 21 H ASP 21 10.329 3.044 -4.243 171 HA ASP 21 HA ASP 21 9.251 2.354 -6.904 172 HB2 ASP 21 HB2 ASP 21 9.838 0.772 -4.919 173 HB3 ASP 21 HB3 ASP 21 8.400 1.392 -4.143 174 H THR 22 H THR 22 7.300 3.357 -7.638 175 HA THR 22 HA THR 22 6.197 5.455 -5.982 176 HB THR 22 HB THR 22 4.615 5.710 -7.971 177 HG1 THR 22 HG1 THR 22 6.050 4.620 -9.811 178 HG21 THR 22 HG21 THR 22 7.603 5.984 -8.461 179 HG22 THR 22 HG22 THR 22 6.308 6.789 -9.374 180 HG23 THR 22 HG23 THR 22 6.543 7.165 -7.666 181 H ILE 23 H ILE 23 3.939 5.758 -5.509 182 HA ILE 23 HA ILE 23 2.809 3.397 -4.284 183 HB ILE 23 HB ILE 23 1.607 6.099 -4.899 184 HG12 ILE 23 HG12 ILE 23 3.408 6.030 -3.202 185 HG13 ILE 23 HG13 ILE 23 1.846 6.545 -2.558 186 HG21 ILE 23 HG21 ILE 23 -0.332 4.693 -4.818 187 HG22 ILE 23 HG22 ILE 23 0.277 3.805 -3.409 188 HG23 ILE 23 HG23 ILE 23 -0.227 5.501 -3.252 189 HD11 ILE 23 HD11 ILE 23 2.902 3.730 -2.187 190 HD12 ILE 23 HD12 ILE 23 3.134 5.058 -1.039 191 HD13 ILE 23 HD13 ILE 23 1.498 4.486 -1.416 192 H GLU 24 H GLU 24 2.466 4.758 -7.533 193 HA GLU 24 HA GLU 24 0.125 3.388 -8.322 194 HB2 GLU 24 HB2 GLU 24 1.156 5.202 -9.591 195 HB3 GLU 24 HB3 GLU 24 2.603 4.231 -9.887 196 HG2 GLU 24 HG2 GLU 24 1.349 2.666 -11.270 197 HG3 GLU 24 HG3 GLU 24 -0.179 3.434 -10.832 198 H ASN 25 H ASN 25 3.539 2.365 -8.274 199 HA ASN 25 HA ASN 25 3.070 -0.222 -9.469 200 HB2 ASN 25 HB2 ASN 25 5.421 1.155 -8.160 201 HB3 ASN 25 HB3 ASN 25 5.469 -0.582 -8.480 202 HD21 ASN 25 HD21 ASN 25 5.705 2.066 -11.576 203 HD22 ASN 25 HD22 ASN 25 5.772 2.559 -9.901 204 H VAL 26 H VAL 26 3.836 0.845 -6.090 205 HA VAL 26 HA VAL 26 3.532 -1.744 -4.968 206 HB VAL 26 HB VAL 26 3.078 0.944 -3.623 207 HG11 VAL 26 HG11 VAL 26 2.137 -0.916 -2.258 208 HG12 VAL 26 HG12 VAL 26 3.672 -1.798 -2.409 209 HG13 VAL 26 HG13 VAL 26 3.603 -0.258 -1.523 210 HG21 VAL 26 HG21 VAL 26 5.334 0.782 -4.552 211 HG22 VAL 26 HG22 VAL 26 5.454 0.502 -2.814 212 HG23 VAL 26 HG23 VAL 26 5.531 -0.860 -3.948 213 H LYS 27 H LYS 27 1.005 0.703 -5.670 214 HA LYS 27 HA LYS 27 -1.085 -0.852 -4.437 215 HB2 LYS 27 HB2 LYS 27 -1.022 1.631 -4.721 216 HB3 LYS 27 HB3 LYS 27 -1.285 1.402 -6.465 217 HG2 LYS 27 HG2 LYS 27 -3.490 0.482 -6.033 218 HG3 LYS 27 HG3 LYS 27 -3.179 0.400 -4.289 219 HD2 LYS 27 HD2 LYS 27 -4.638 2.284 -4.840 220 HD3 LYS 27 HD3 LYS 27 -3.100 2.863 -4.163 221 HE2 LYS 27 HE2 LYS 27 -2.269 3.476 -6.360 222 HE3 LYS 27 HE3 LYS 27 -3.557 2.568 -7.134 223 HZ1 LYS 27 HZ1 LYS 27 -4.084 4.816 -7.317 224 HZ2 LYS 27 HZ2 LYS 27 -5.135 4.220 -6.195 225 HZ3 LYS 27 HZ3 LYS 27 -3.850 5.161 -5.748 226 H ALA 28 H ALA 28 0.622 -1.252 -7.410 227 HA ALA 28 HA ALA 28 -1.614 -2.649 -8.763 228 HB1 ALA 28 HB1 ALA 28 1.286 -2.258 -9.646 229 HB2 ALA 28 HB2 ALA 28 -0.052 -2.935 -10.589 230 HB3 ALA 28 HB3 ALA 28 -0.087 -1.229 -10.111 231 H LYS 29 H LYS 29 1.659 -3.212 -7.434 232 HA LYS 29 HA LYS 29 1.958 -5.935 -7.715 233 HB2 LYS 29 HB2 LYS 29 2.836 -4.049 -5.502 234 HB3 LYS 29 HB3 LYS 29 3.336 -5.733 -5.549 235 HG2 LYS 29 HG2 LYS 29 4.593 -5.466 -7.554 236 HG3 LYS 29 HG3 LYS 29 3.910 -3.864 -7.869 237 HD2 LYS 29 HD2 LYS 29 5.001 -2.963 -5.863 238 HD3 LYS 29 HD3 LYS 29 5.676 -4.535 -5.458 239 HE2 LYS 29 HE2 LYS 29 6.305 -3.285 -8.148 240 HE3 LYS 29 HE3 LYS 29 7.053 -2.611 -6.700 241 HZ1 LYS 29 HZ1 LYS 29 7.981 -4.765 -6.192 242 HZ2 LYS 29 HZ2 LYS 29 7.323 -5.428 -7.564 243 HZ3 LYS 29 HZ3 LYS 29 8.463 -4.260 -7.657 244 H ILE 30 H ILE 30 0.048 -4.292 -5.149 245 HA ILE 30 HA ILE 30 -0.497 -6.692 -3.671 246 HB ILE 30 HB ILE 30 -2.375 -5.384 -2.667 247 HG12 ILE 30 HG12 ILE 30 -1.432 -3.132 -4.462 248 HG13 ILE 30 HG13 ILE 30 -2.953 -4.004 -4.648 249 HG21 ILE 30 HG21 ILE 30 -0.962 -3.920 -1.395 250 HG22 ILE 30 HG22 ILE 30 -0.033 -5.364 -1.791 251 HG23 ILE 30 HG23 ILE 30 0.241 -3.846 -2.692 252 HD11 ILE 30 HD11 ILE 30 -3.646 -3.217 -2.379 253 HD12 ILE 30 HD12 ILE 30 -2.174 -2.203 -2.337 254 HD13 ILE 30 HD13 ILE 30 -3.414 -1.924 -3.570 255 H GLN 31 H GLN 31 -2.066 -5.372 -6.620 256 HA GLN 31 HA GLN 31 -4.458 -6.961 -6.329 257 HB2 GLN 31 HB2 GLN 31 -3.254 -5.805 -8.883 258 HB3 GLN 31 HB3 GLN 31 -4.943 -6.218 -8.574 259 HG2 GLN 31 HG2 GLN 31 -5.080 -4.380 -6.901 260 HG3 GLN 31 HG3 GLN 31 -3.386 -4.011 -7.160 261 HE21 GLN 31 HE21 GLN 31 -4.366 -1.560 -9.445 262 HE22 GLN 31 HE22 GLN 31 -3.750 -1.894 -7.815 263 H ASP 32 H ASP 32 -1.223 -7.511 -7.493 264 HA ASP 32 HA ASP 32 -1.846 -9.882 -9.104 265 HB2 ASP 32 HB2 ASP 32 0.034 -8.761 -9.860 266 HB3 ASP 32 HB3 ASP 32 0.607 -8.364 -8.251 267 H LYS 33 H LYS 33 -0.720 -9.159 -5.770 268 HA LYS 33 HA LYS 33 -0.508 -12.006 -5.111 269 HB2 LYS 33 HB2 LYS 33 -0.344 -9.530 -3.348 270 HB3 LYS 33 HB3 LYS 33 0.038 -11.170 -2.838 271 HG2 LYS 33 HG2 LYS 33 1.549 -9.573 -4.939 272 HG3 LYS 33 HG3 LYS 33 2.049 -9.880 -3.276 273 HD2 LYS 33 HD2 LYS 33 2.010 -12.362 -3.819 274 HD3 LYS 33 HD3 LYS 33 1.808 -11.915 -5.524 275 HE2 LYS 33 HE2 LYS 33 3.925 -10.654 -5.482 276 HE3 LYS 33 HE3 LYS 33 4.104 -10.972 -3.743 277 HZ1 LYS 33 HZ1 LYS 33 4.235 -13.330 -4.264 278 HZ2 LYS 33 HZ2 LYS 33 4.162 -12.994 -5.892 279 HZ3 LYS 33 HZ3 LYS 33 5.444 -12.524 -4.999 280 H GLU 34 H GLU 34 -3.229 -9.681 -4.852 281 HA GLU 34 HA GLU 34 -4.791 -11.828 -3.609 282 HB2 GLU 34 HB2 GLU 34 -3.759 -10.247 -1.786 283 HB3 GLU 34 HB3 GLU 34 -4.810 -9.017 -2.452 284 HG2 GLU 34 HG2 GLU 34 -6.079 -9.780 -0.694 285 HG3 GLU 34 HG3 GLU 34 -6.747 -10.745 -2.003 286 H GLY 35 H GLY 35 -7.098 -11.502 -4.178 287 HA2 GLY 35 HA2 GLY 35 -7.428 -9.962 -6.613 288 HA3 GLY 35 HA3 GLY 35 -8.623 -10.983 -5.807 289 H ILE 36 H ILE 36 -7.080 -7.764 -5.707 290 HA ILE 36 HA ILE 36 -9.610 -6.648 -4.585 291 HB ILE 36 HB ILE 36 -8.077 -5.037 -3.298 292 HG12 ILE 36 HG12 ILE 36 -6.184 -7.438 -3.336 293 HG13 ILE 36 HG13 ILE 36 -5.878 -5.967 -4.244 294 HG21 ILE 36 HG21 ILE 36 -8.419 -7.921 -2.355 295 HG22 ILE 36 HG22 ILE 36 -8.249 -6.504 -1.315 296 HG23 ILE 36 HG23 ILE 36 -9.681 -6.673 -2.330 297 HD11 ILE 36 HD11 ILE 36 -6.029 -6.208 -1.216 298 HD12 ILE 36 HD12 ILE 36 -4.603 -5.916 -2.210 299 HD13 ILE 36 HD13 ILE 36 -5.861 -4.673 -2.103 300 HA PRO 37 HA PRO 37 -8.720 -4.621 -8.544 301 HB2 PRO 37 HB2 PRO 37 -11.366 -3.319 -7.838 302 HB3 PRO 37 HB3 PRO 37 -10.861 -4.018 -9.396 303 HG2 PRO 37 HG2 PRO 37 -12.537 -5.375 -7.782 304 HG3 PRO 37 HG3 PRO 37 -11.185 -6.243 -8.586 305 HD2 PRO 37 HD2 PRO 37 -11.302 -5.166 -5.752 306 HD3 PRO 37 HD3 PRO 37 -10.746 -6.764 -6.346 307 HA PRO 38 HA PRO 38 -7.633 -0.449 -7.286 308 HB2 PRO 38 HB2 PRO 38 -7.323 0.875 -9.621 309 HB3 PRO 38 HB3 PRO 38 -6.342 -0.569 -9.261 310 HG2 PRO 38 HG2 PRO 38 -8.881 -0.423 -10.922 311 HG3 PRO 38 HG3 PRO 38 -7.315 -1.186 -11.351 312 HD2 PRO 38 HD2 PRO 38 -9.438 -2.577 -10.268 313 HD3 PRO 38 HD3 PRO 38 -7.734 -3.033 -9.980 314 H ASP 39 H ASP 39 -10.188 -0.923 -6.622 315 HA ASP 39 HA ASP 39 -11.641 1.596 -7.041 316 HB2 ASP 39 HB2 ASP 39 -12.803 0.264 -8.644 317 HB3 ASP 39 HB3 ASP 39 -12.762 -1.175 -7.601 318 H GLN 40 H GLN 40 -12.445 2.210 -5.107 319 HA GLN 40 HA GLN 40 -12.529 2.392 -2.838 320 HB2 GLN 40 HB2 GLN 40 -13.624 -0.450 -2.889 321 HB3 GLN 40 HB3 GLN 40 -13.860 0.772 -1.657 322 HG2 GLN 40 HG2 GLN 40 -15.075 0.637 -4.390 323 HG3 GLN 40 HG3 GLN 40 -15.879 0.631 -2.828 324 HE21 GLN 40 HE21 GLN 40 -15.502 4.069 -4.836 325 HE22 GLN 40 HE22 GLN 40 -15.294 2.456 -5.487 326 H ASN 41 H ASN 41 -10.005 1.954 -3.628 327 HA ASN 41 HA ASN 41 -8.905 0.321 -1.457 328 HB2 ASN 41 HB2 ASN 41 -8.459 -0.169 -4.405 329 HB3 ASN 41 HB3 ASN 41 -7.073 -0.260 -3.329 330 HD21 ASN 41 HD21 ASN 41 -10.079 -3.086 -2.798 331 HD22 ASN 41 HD22 ASN 41 -10.415 -1.590 -3.616 332 H ARG 42 H ARG 42 -7.185 1.395 -0.514 333 HA ARG 42 HA ARG 42 -5.602 3.384 -1.925 334 HB2 ARG 42 HB2 ARG 42 -7.600 4.670 -1.243 335 HB3 ARG 42 HB3 ARG 42 -7.358 4.160 0.447 336 HG2 ARG 42 HG2 ARG 42 -5.232 5.388 0.521 337 HG3 ARG 42 HG3 ARG 42 -5.397 5.831 -1.187 338 HD2 ARG 42 HD2 ARG 42 -7.448 6.559 0.944 339 HD3 ARG 42 HD3 ARG 42 -6.107 7.605 0.492 340 HE ARG 42 HE ARG 42 -8.544 7.127 -1.026 341 HH11 ARG 42 HH11 ARG 42 -5.142 8.172 -1.344 342 HH12 ARG 42 HH12 ARG 42 -5.551 9.421 -2.484 343 HH21 ARG 42 HH21 ARG 42 -8.953 8.513 -2.746 344 HH22 ARG 42 HH22 ARG 42 -7.721 9.481 -3.472 345 H LEU 43 H LEU 43 -3.604 3.312 -1.070 346 HA LEU 43 HA LEU 43 -3.081 1.454 1.133 347 HB2 LEU 43 HB2 LEU 43 -1.894 1.563 -1.139 348 HB3 LEU 43 HB3 LEU 43 -1.196 3.093 -0.617 349 HG LEU 43 HG LEU 43 -0.102 1.883 1.290 350 HD11 LEU 43 HD11 LEU 43 -1.555 -0.087 1.530 351 HD12 LEU 43 HD12 LEU 43 -1.139 -0.616 -0.114 352 HD13 LEU 43 HD13 LEU 43 0.097 -0.590 1.159 353 HD21 LEU 43 HD21 LEU 43 1.602 0.763 -0.176 354 HD22 LEU 43 HD22 LEU 43 0.451 0.818 -1.527 355 HD23 LEU 43 HD23 LEU 43 1.094 2.313 -0.836 356 H ILE 44 H ILE 44 -2.248 2.071 3.133 357 HA ILE 44 HA ILE 44 -1.939 4.970 3.757 358 HB ILE 44 HB ILE 44 -3.175 2.821 5.497 359 HG12 ILE 44 HG12 ILE 44 -4.738 3.028 3.668 360 HG13 ILE 44 HG13 ILE 44 -5.388 3.629 5.173 361 HG21 ILE 44 HG21 ILE 44 -4.035 4.641 6.889 362 HG22 ILE 44 HG22 ILE 44 -2.280 4.707 6.772 363 HG23 ILE 44 HG23 ILE 44 -3.275 5.835 5.833 364 HD11 ILE 44 HD11 ILE 44 -6.041 5.059 3.259 365 HD12 ILE 44 HD12 ILE 44 -5.089 5.954 4.444 366 HD13 ILE 44 HD13 ILE 44 -4.353 5.389 2.922 367 H PHE 45 H PHE 45 -0.223 5.406 5.245 368 HA PHE 45 HA PHE 45 1.214 3.109 6.470 369 HB2 PHE 45 HB2 PHE 45 2.528 3.570 4.479 370 HB3 PHE 45 HB3 PHE 45 2.523 5.296 4.823 371 HD1 PHE 45 HD1 PHE 45 3.354 2.123 6.745 372 HD2 PHE 45 HD2 PHE 45 4.567 6.119 5.609 373 HE1 PHE 45 HE1 PHE 45 5.409 1.894 8.098 374 HE2 PHE 45 HE2 PHE 45 6.660 5.831 6.891 375 HZ PHE 45 HZ PHE 45 7.071 3.736 8.168 376 H ALA 46 H ALA 46 1.448 3.488 8.577 377 HA ALA 46 HA ALA 46 1.360 4.503 10.607 378 HB1 ALA 46 HB1 ALA 46 3.598 5.260 9.750 379 HB2 ALA 46 HB2 ALA 46 2.832 6.800 9.298 380 HB3 ALA 46 HB3 ALA 46 2.878 6.302 10.997 381 H GLY 47 H GLY 47 -0.919 4.769 9.051 382 HA2 GLY 47 HA2 GLY 47 -2.997 5.739 9.256 383 HA3 GLY 47 HA3 GLY 47 -2.308 6.965 10.324 384 H LYS 48 H LYS 48 -0.294 7.389 7.786 385 HA LYS 48 HA LYS 48 -1.865 9.628 6.746 386 HB2 LYS 48 HB2 LYS 48 0.503 9.947 7.186 387 HB3 LYS 48 HB3 LYS 48 0.942 8.610 6.115 388 HG2 LYS 48 HG2 LYS 48 0.463 9.757 4.170 389 HG3 LYS 48 HG3 LYS 48 -0.691 10.846 4.934 390 HD2 LYS 48 HD2 LYS 48 2.294 10.964 5.480 391 HD3 LYS 48 HD3 LYS 48 1.486 11.896 4.202 392 HE2 LYS 48 HE2 LYS 48 0.031 12.999 5.808 393 HE3 LYS 48 HE3 LYS 48 0.667 12.021 7.137 394 HZ1 LYS 48 HZ1 LYS 48 2.261 13.946 5.566 395 HZ2 LYS 48 HZ2 LYS 48 1.672 14.223 7.048 396 HZ3 LYS 48 HZ3 LYS 48 2.793 13.038 6.853 397 H GLN 49 H GLN 49 -2.978 9.625 4.889 398 HA GLN 49 HA GLN 49 -3.304 7.127 3.460 399 HB2 GLN 49 HB2 GLN 49 -4.383 9.747 2.423 400 HB3 GLN 49 HB3 GLN 49 -5.014 8.128 2.243 401 HG2 GLN 49 HG2 GLN 49 -6.541 9.215 3.663 402 HG3 GLN 49 HG3 GLN 49 -5.617 8.149 4.718 403 HE21 GLN 49 HE21 GLN 49 -5.372 11.037 6.829 404 HE22 GLN 49 HE22 GLN 49 -5.938 9.389 6.644 405 H LEU 50 H LEU 50 -2.423 6.612 1.448 406 HA LEU 50 HA LEU 50 -0.373 8.491 0.410 407 HB2 LEU 50 HB2 LEU 50 -0.426 5.536 -0.123 408 HB3 LEU 50 HB3 LEU 50 0.934 6.652 -0.198 409 HG LEU 50 HG LEU 50 -0.397 5.611 2.342 410 HD11 LEU 50 HD11 LEU 50 2.314 4.938 1.169 411 HD12 LEU 50 HD12 LEU 50 1.559 4.242 2.619 412 HD13 LEU 50 HD13 LEU 50 0.869 3.927 1.028 413 HD21 LEU 50 HD21 LEU 50 0.703 7.930 2.522 414 HD22 LEU 50 HD22 LEU 50 1.237 6.683 3.643 415 HD23 LEU 50 HD23 LEU 50 2.228 7.077 2.231 416 H GLU 51 H GLU 51 -0.111 8.473 -1.905 417 HA GLU 51 HA GLU 51 -2.189 7.321 -3.580 418 HB2 GLU 51 HB2 GLU 51 -2.889 9.481 -4.456 419 HB3 GLU 51 HB3 GLU 51 -3.221 9.400 -2.729 420 HG2 GLU 51 HG2 GLU 51 -1.069 10.707 -2.343 421 HG3 GLU 51 HG3 GLU 51 -0.958 10.924 -4.096 422 H ASP 52 H ASP 52 -1.725 8.102 -5.873 423 HA ASP 52 HA ASP 52 0.968 7.466 -6.527 424 HB2 ASP 52 HB2 ASP 52 0.270 7.611 -8.845 425 HB3 ASP 52 HB3 ASP 52 -0.875 6.692 -7.892 426 H GLY 53 H GLY 53 2.322 8.609 -7.957 427 HA2 GLY 53 HA2 GLY 53 3.242 10.544 -8.902 428 HA3 GLY 53 HA3 GLY 53 2.354 11.566 -7.752 429 H ARG 54 H ARG 54 3.159 9.398 -5.629 430 HA ARG 54 HA ARG 54 5.919 10.439 -5.131 431 HB2 ARG 54 HB2 ARG 54 3.610 9.850 -3.291 432 HB3 ARG 54 HB3 ARG 54 5.279 9.817 -2.678 433 HG2 ARG 54 HG2 ARG 54 5.578 12.096 -3.720 434 HG3 ARG 54 HG3 ARG 54 3.817 12.121 -3.994 435 HD2 ARG 54 HD2 ARG 54 3.856 11.399 -1.383 436 HD3 ARG 54 HD3 ARG 54 5.400 12.254 -1.453 437 HE ARG 54 HE ARG 54 3.450 13.883 -2.664 438 HH11 ARG 54 HH11 ARG 54 4.844 12.933 0.403 439 HH12 ARG 54 HH12 ARG 54 3.966 13.999 1.406 440 HH21 ARG 54 HH21 ARG 54 2.074 15.250 -1.395 441 HH22 ARG 54 HH22 ARG 54 2.297 15.395 0.328 442 H THR 55 H THR 55 7.270 9.128 -3.715 443 HA THR 55 HA THR 55 7.179 6.271 -4.425 444 HB THR 55 HB THR 55 9.591 6.362 -4.333 445 HG1 THR 55 HG1 THR 55 9.310 9.153 -3.786 446 HG21 THR 55 HG21 THR 55 10.141 7.741 -6.278 447 HG22 THR 55 HG22 THR 55 8.651 6.827 -6.514 448 HG23 THR 55 HG23 THR 55 8.580 8.572 -6.165 449 H LEU 56 H LEU 56 8.593 4.976 -2.899 450 HA LEU 56 HA LEU 56 7.460 4.794 -0.390 451 HB2 LEU 56 HB2 LEU 56 9.582 3.478 -1.872 452 HB3 LEU 56 HB3 LEU 56 10.187 3.817 -0.274 453 HG LEU 56 HG LEU 56 7.705 2.776 0.356 454 HD11 LEU 56 HD11 LEU 56 8.735 1.111 -1.959 455 HD12 LEU 56 HD12 LEU 56 7.266 0.843 -0.991 456 HD13 LEU 56 HD13 LEU 56 7.371 2.227 -2.090 457 HD21 LEU 56 HD21 LEU 56 10.292 1.240 -0.101 458 HD22 LEU 56 HD22 LEU 56 9.850 2.142 1.375 459 HD23 LEU 56 HD23 LEU 56 8.923 0.707 0.903 460 H SER 57 H SER 57 10.616 6.338 -1.153 461 HA SER 57 HA SER 57 11.166 7.012 1.562 462 HB2 SER 57 HB2 SER 57 12.750 6.924 -0.568 463 HB3 SER 57 HB3 SER 57 12.356 8.652 -0.657 464 HG SER 57 HG SER 57 13.896 8.765 0.780 465 H ASP 58 H ASP 58 9.268 8.736 -0.927 466 HA ASP 58 HA ASP 58 9.318 11.290 0.332 467 HB2 ASP 58 HB2 ASP 58 7.093 10.075 -1.336 468 HB3 ASP 58 HB3 ASP 58 7.266 11.770 -0.845 469 H TYR 59 H TYR 59 7.145 8.498 0.748 470 HA TYR 59 HA TYR 59 5.705 9.788 2.956 471 HB2 TYR 59 HB2 TYR 59 5.607 6.988 1.819 472 HB3 TYR 59 HB3 TYR 59 4.540 7.590 3.087 473 HD1 TYR 59 HD1 TYR 59 3.216 9.840 2.527 474 HD2 TYR 59 HD2 TYR 59 4.925 7.194 -0.432 475 HE1 TYR 59 HE1 TYR 59 1.581 10.655 0.866 476 HE2 TYR 59 HE2 TYR 59 3.332 8.028 -2.091 477 HH TYR 59 HH TYR 59 1.472 9.400 -2.522 478 H ASN 60 H ASN 60 8.721 8.536 2.762 479 HA ASN 60 HA ASN 60 10.323 7.834 4.129 480 HB2 ASN 60 HB2 ASN 60 9.438 9.837 5.363 481 HB3 ASN 60 HB3 ASN 60 8.548 8.724 6.415 482 HD21 ASN 60 HD21 ASN 60 11.637 9.656 8.188 483 HD22 ASN 60 HD22 ASN 60 10.187 10.424 7.549 484 H ILE 61 H ILE 61 8.773 5.842 3.153 485 HA ILE 61 HA ILE 61 7.985 4.010 5.320 486 HB ILE 61 HB ILE 61 8.078 3.817 2.284 487 HG12 ILE 61 HG12 ILE 61 5.617 3.825 4.061 488 HG13 ILE 61 HG13 ILE 61 6.314 5.336 3.487 489 HG21 ILE 61 HG21 ILE 61 6.877 1.832 4.268 490 HG22 ILE 61 HG22 ILE 61 6.799 1.702 2.502 491 HG23 ILE 61 HG23 ILE 61 8.349 1.553 3.312 492 HD11 ILE 61 HD11 ILE 61 5.263 3.117 1.700 493 HD12 ILE 61 HD12 ILE 61 4.449 4.639 2.091 494 HD13 ILE 61 HD13 ILE 61 5.953 4.661 1.158 495 H GLN 62 H GLN 62 9.464 2.714 6.258 496 HA GLN 62 HA GLN 62 12.150 2.412 5.020 497 HB2 GLN 62 HB2 GLN 62 11.213 1.956 7.887 498 HB3 GLN 62 HB3 GLN 62 12.860 1.732 7.299 499 HG2 GLN 62 HG2 GLN 62 11.329 4.358 7.454 500 HG3 GLN 62 HG3 GLN 62 12.741 3.882 8.396 501 HE21 GLN 62 HE21 GLN 62 13.307 5.847 4.938 502 HE22 GLN 62 HE22 GLN 62 11.951 5.980 6.018 503 H LYS 63 H LYS 63 13.131 0.128 5.827 504 HA LYS 63 HA LYS 63 11.592 -1.778 4.295 505 HB2 LYS 63 HB2 LYS 63 13.372 -3.321 4.721 506 HB3 LYS 63 HB3 LYS 63 14.024 -1.768 4.231 507 HG2 LYS 63 HG2 LYS 63 14.695 -1.227 6.485 508 HG3 LYS 63 HG3 LYS 63 13.884 -2.672 7.149 509 HD2 LYS 63 HD2 LYS 63 15.384 -4.158 6.108 510 HD3 LYS 63 HD3 LYS 63 15.969 -2.924 4.989 511 HE2 LYS 63 HE2 LYS 63 17.053 -1.703 6.807 512 HE3 LYS 63 HE3 LYS 63 16.468 -2.885 7.991 513 HZ1 LYS 63 HZ1 LYS 63 18.122 -3.674 5.683 514 HZ2 LYS 63 HZ2 LYS 63 18.795 -3.189 7.111 515 HZ3 LYS 63 HZ3 LYS 63 17.828 -4.525 7.055 516 H GLU 64 H GLU 64 10.891 -3.856 4.992 517 HA GLU 64 HA GLU 64 9.365 -5.035 6.068 518 HB2 GLU 64 HB2 GLU 64 11.422 -4.630 8.266 519 HB3 GLU 64 HB3 GLU 64 10.035 -5.706 8.412 520 HG2 GLU 64 HG2 GLU 64 11.582 -7.190 7.659 521 HG3 GLU 64 HG3 GLU 64 10.799 -6.760 6.162 522 H SER 65 H SER 65 8.599 -2.343 5.775 523 HA SER 65 HA SER 65 7.319 -1.407 8.210 524 HB2 SER 65 HB2 SER 65 6.213 0.116 6.415 525 HB3 SER 65 HB3 SER 65 7.927 0.326 6.795 526 HG SER 65 HG SER 65 8.470 -0.294 4.896 527 H THR 66 H THR 66 4.849 -1.346 8.340 528 HA THR 66 HA THR 66 3.568 -3.461 6.707 529 HB THR 66 HB THR 66 3.139 -3.018 9.676 530 HG1 THR 66 HG1 THR 66 5.090 -4.098 9.276 531 HG21 THR 66 HG21 THR 66 2.072 -5.101 7.701 532 HG22 THR 66 HG22 THR 66 1.769 -5.072 9.452 533 HG23 THR 66 HG23 THR 66 1.137 -3.785 8.421 534 H LEU 67 H LEU 67 2.279 -2.425 5.396 535 HA LEU 67 HA LEU 67 1.121 0.212 6.146 536 HB2 LEU 67 HB2 LEU 67 1.472 -1.276 3.509 537 HB3 LEU 67 HB3 LEU 67 0.537 0.202 3.678 538 HG LEU 67 HG LEU 67 2.600 1.333 4.622 539 HD11 LEU 67 HD11 LEU 67 4.819 0.368 3.853 540 HD12 LEU 67 HD12 LEU 67 4.108 -0.456 5.223 541 HD13 LEU 67 HD13 LEU 67 3.995 -1.179 3.604 542 HD21 LEU 67 HD21 LEU 67 3.589 1.699 2.389 543 HD22 LEU 67 HD22 LEU 67 2.741 0.271 1.776 544 HD23 LEU 67 HD23 LEU 67 1.832 1.702 2.336 545 H HIS 68 H HIS 68 -1.158 0.585 5.367 546 HA HIS 68 HA HIS 68 -2.940 -1.773 5.907 547 HB2 HIS 68 HB2 HIS 68 -3.042 1.107 6.862 548 HB3 HIS 68 HB3 HIS 68 -4.527 0.198 6.653 549 HD1 HIS 68 HD1 HIS 68 -1.475 0.358 9.021 550 HD2 HIS 68 HD2 HIS 68 -5.130 -1.709 8.392 551 HE1 HIS 68 HE1 HIS 68 -2.007 -0.818 11.165 552 H LEU 69 H LEU 69 -4.996 -1.722 4.821 553 HA LEU 69 HA LEU 69 -5.165 -0.014 2.394 554 HB2 LEU 69 HB2 LEU 69 -5.565 -2.990 2.801 555 HB3 LEU 69 HB3 LEU 69 -6.387 -2.155 1.499 556 HG LEU 69 HG LEU 69 -3.376 -1.984 1.818 557 HD11 LEU 69 HD11 LEU 69 -4.999 -3.999 0.211 558 HD12 LEU 69 HD12 LEU 69 -3.251 -3.737 0.042 559 HD13 LEU 69 HD13 LEU 69 -3.898 -4.344 1.568 560 HD21 LEU 69 HD21 LEU 69 -5.187 -1.579 -0.609 561 HD22 LEU 69 HD22 LEU 69 -4.495 -0.273 0.358 562 HD23 LEU 69 HD23 LEU 69 -3.426 -1.343 -0.545 563 H VAL 70 H VAL 70 -7.015 1.195 2.405 564 HA VAL 70 HA VAL 70 -9.356 0.193 3.903 565 HB VAL 70 HB VAL 70 -9.687 2.275 5.105 566 HG11 VAL 70 HG11 VAL 70 -6.784 1.489 5.582 567 HG12 VAL 70 HG12 VAL 70 -7.889 2.300 6.705 568 HG13 VAL 70 HG13 VAL 70 -8.196 0.628 6.233 569 HG21 VAL 70 HG21 VAL 70 -7.225 3.228 3.616 570 HG22 VAL 70 HG22 VAL 70 -8.848 3.919 3.564 571 HG23 VAL 70 HG23 VAL 70 -7.890 4.079 5.034 572 H LEU 71 H LEU 71 -11.295 1.586 3.620 573 HA LEU 71 HA LEU 71 -11.502 3.024 1.075 574 HB2 LEU 71 HB2 LEU 71 -13.253 1.778 0.221 575 HB3 LEU 71 HB3 LEU 71 -11.974 0.636 0.554 576 HG LEU 71 HG LEU 71 -14.117 0.956 2.663 577 HD11 LEU 71 HD11 LEU 71 -15.408 0.883 0.547 578 HD12 LEU 71 HD12 LEU 71 -14.545 -0.609 0.088 579 HD13 LEU 71 HD13 LEU 71 -15.604 -0.589 1.505 580 HD21 LEU 71 HD21 LEU 71 -12.715 -1.477 1.497 581 HD22 LEU 71 HD22 LEU 71 -12.183 -0.623 2.953 582 HD23 LEU 71 HD23 LEU 71 -13.755 -1.443 2.938 583 H ARG 72 H ARG 72 -14.240 3.370 1.051 584 HA ARG 72 HA ARG 72 -15.183 4.141 3.660 585 HB2 ARG 72 HB2 ARG 72 -13.766 6.161 2.385 586 HB3 ARG 72 HB3 ARG 72 -15.360 6.399 1.693 587 HG2 ARG 72 HG2 ARG 72 -15.753 7.630 3.588 588 HG3 ARG 72 HG3 ARG 72 -16.046 6.065 4.351 589 HD2 ARG 72 HD2 ARG 72 -13.442 6.043 4.674 590 HD3 ARG 72 HD3 ARG 72 -13.550 7.782 4.363 591 HE ARG 72 HE ARG 72 -15.398 7.375 6.362 592 HH11 ARG 72 HH11 ARG 72 -11.972 6.472 6.050 593 HH12 ARG 72 HH12 ARG 72 -11.745 6.234 7.755 594 HH21 ARG 72 HH21 ARG 72 -15.081 7.169 8.570 595 HH22 ARG 72 HH22 ARG 72 -13.559 6.633 9.233 596 H LEU 73 H LEU 73 -17.407 3.740 3.602 597 HA LEU 73 HA LEU 73 -18.861 3.901 1.068 598 HB2 LEU 73 HB2 LEU 73 -17.733 1.467 1.917 599 HB3 LEU 73 HB3 LEU 73 -19.335 1.394 2.630 600 HG LEU 73 HG LEU 73 -18.759 1.968 -0.317 601 HD11 LEU 73 HD11 LEU 73 -19.429 -0.361 -0.744 602 HD12 LEU 73 HD12 LEU 73 -17.988 -0.287 0.280 603 HD13 LEU 73 HD13 LEU 73 -19.568 -0.657 1.005 604 HD21 LEU 73 HD21 LEU 73 -21.350 1.185 1.097 605 HD22 LEU 73 HD22 LEU 73 -20.961 2.783 0.395 606 HD23 LEU 73 HD23 LEU 73 -21.121 1.387 -0.658 607 H ARG 74 H ARG 74 -21.032 4.525 1.602 608 HA ARG 74 HA ARG 74 -21.568 4.826 4.540 609 HB2 ARG 74 HB2 ARG 74 -22.614 6.486 2.210 610 HB3 ARG 74 HB3 ARG 74 -23.145 6.635 3.881 611 HG2 ARG 74 HG2 ARG 74 -20.426 7.304 2.742 612 HG3 ARG 74 HG3 ARG 74 -21.581 8.378 3.529 613 HD2 ARG 74 HD2 ARG 74 -19.984 6.139 4.895 614 HD3 ARG 74 HD3 ARG 74 -19.633 7.847 4.975 615 HE ARG 74 HE ARG 74 -21.852 6.415 6.301 616 HH11 ARG 74 HH11 ARG 74 -23.255 7.647 7.755 617 HH12 ARG 74 HH12 ARG 74 -22.804 9.255 8.126 618 HH21 ARG 74 HH21 ARG 74 -20.320 9.575 5.664 619 HH22 ARG 74 HH22 ARG 74 -21.179 10.331 6.973 620 H GLY 75 H GLY 75 -22.588 3.044 1.819 621 HA2 GLY 75 HA2 GLY 75 -25.318 2.676 2.747 622 HA3 GLY 75 HA3 GLY 75 -24.483 1.813 1.449 623 H GLY 76 H GLY 76 -22.869 1.956 4.572 624 HA2 GLY 76 HA2 GLY 76 -23.867 -0.196 5.994 625 HA3 GLY 76 HA3 GLY 76 -22.623 -0.829 4.908 Start of MODEL 7 1 H1 MET 1 H MET 1 14.885 -4.976 -1.173 2 HA MET 1 HA MET 1 14.533 -4.605 1.730 3 HB2 MET 1 HB2 MET 1 15.535 -2.723 0.233 4 HB3 MET 1 HB3 MET 1 13.894 -2.507 -0.378 5 HG2 MET 1 HG2 MET 1 13.133 -2.182 2.004 6 HG3 MET 1 HG3 MET 1 14.801 -2.424 2.518 7 HE1 MET 1 HE1 MET 1 12.929 1.535 1.798 8 HE2 MET 1 HE2 MET 1 12.212 0.152 0.958 9 HE3 MET 1 HE3 MET 1 12.432 0.104 2.720 10 H GLN 2 H GLN 2 12.498 -5.279 2.526 11 HA GLN 2 HA GLN 2 10.337 -5.576 0.503 12 HB2 GLN 2 HB2 GLN 2 9.651 -7.571 1.755 13 HB3 GLN 2 HB3 GLN 2 11.237 -7.758 1.018 14 HG2 GLN 2 HG2 GLN 2 12.368 -7.396 3.153 15 HG3 GLN 2 HG3 GLN 2 10.835 -6.986 3.931 16 HE21 GLN 2 HE21 GLN 2 9.706 -10.564 3.667 17 HE22 GLN 2 HE22 GLN 2 9.154 -8.921 3.338 18 H ILE 3 H ILE 3 8.163 -5.490 1.385 19 HA ILE 3 HA ILE 3 7.869 -4.103 3.973 20 HB ILE 3 HB ILE 3 6.292 -2.498 3.169 21 HG12 ILE 3 HG12 ILE 3 6.918 -3.279 0.293 22 HG13 ILE 3 HG13 ILE 3 5.483 -3.808 1.157 23 HG21 ILE 3 HG21 ILE 3 7.801 -0.898 2.202 24 HG22 ILE 3 HG22 ILE 3 8.715 -1.920 3.306 25 HG23 ILE 3 HG23 ILE 3 8.851 -2.179 1.558 26 HD11 ILE 3 HD11 ILE 3 4.963 -1.888 -0.241 27 HD12 ILE 3 HD12 ILE 3 4.717 -1.514 1.476 28 HD13 ILE 3 HD13 ILE 3 6.143 -0.889 0.624 29 H PHE 4 H PHE 4 5.431 -4.142 4.563 30 HA PHE 4 HA PHE 4 4.175 -6.602 3.517 31 HB2 PHE 4 HB2 PHE 4 4.264 -5.630 6.391 32 HB3 PHE 4 HB3 PHE 4 3.340 -7.003 5.816 33 HD1 PHE 4 HD1 PHE 4 4.633 -9.021 4.819 34 HD2 PHE 4 HD2 PHE 4 6.486 -5.901 7.164 35 HE1 PHE 4 HE1 PHE 4 6.513 -10.544 5.372 36 HE2 PHE 4 HE2 PHE 4 8.357 -7.430 7.712 37 HZ PHE 4 HZ PHE 4 8.377 -9.746 6.820 38 H VAL 5 H VAL 5 1.816 -6.516 3.577 39 HA VAL 5 HA VAL 5 0.657 -3.852 4.164 40 HB VAL 5 HB VAL 5 -0.070 -5.234 1.567 41 HG11 VAL 5 HG11 VAL 5 -1.613 -3.560 2.518 42 HG12 VAL 5 HG12 VAL 5 -0.302 -2.369 2.597 43 HG13 VAL 5 HG13 VAL 5 -0.871 -2.959 1.023 44 HG21 VAL 5 HG21 VAL 5 1.325 -3.599 0.330 45 HG22 VAL 5 HG22 VAL 5 2.070 -3.076 1.857 46 HG23 VAL 5 HG23 VAL 5 2.311 -4.730 1.250 47 H LYS 6 H LYS 6 -1.240 -4.062 5.299 48 HA LYS 6 HA LYS 6 -2.371 -6.792 5.544 49 HB2 LYS 6 HB2 LYS 6 -1.707 -5.454 7.621 50 HB3 LYS 6 HB3 LYS 6 -3.039 -4.357 7.236 51 HG2 LYS 6 HG2 LYS 6 -3.968 -5.889 8.800 52 HG3 LYS 6 HG3 LYS 6 -4.566 -6.439 7.246 53 HD2 LYS 6 HD2 LYS 6 -3.861 -8.464 8.117 54 HD3 LYS 6 HD3 LYS 6 -2.383 -7.980 7.300 55 HE2 LYS 6 HE2 LYS 6 -1.535 -8.617 9.310 56 HE3 LYS 6 HE3 LYS 6 -1.731 -6.876 9.567 57 HZ1 LYS 6 HZ1 LYS 6 -3.903 -7.454 10.640 58 HZ2 LYS 6 HZ2 LYS 6 -3.537 -9.032 10.514 59 HZ3 LYS 6 HZ3 LYS 6 -2.578 -8.081 11.416 60 H THR 7 H THR 7 -4.172 -7.340 4.386 61 HA THR 7 HA THR 7 -5.637 -5.265 2.924 62 HB THR 7 HB THR 7 -6.814 -7.297 2.000 63 HG1 THR 7 HG1 THR 7 -6.554 -9.140 2.947 64 HG21 THR 7 HG21 THR 7 -4.923 -8.173 0.713 65 HG22 THR 7 HG22 THR 7 -4.781 -6.413 0.873 66 HG23 THR 7 HG23 THR 7 -3.773 -7.481 1.873 67 H LEU 8 H LEU 8 -8.080 -5.348 2.950 68 HA LEU 8 HA LEU 8 -9.094 -5.052 5.588 69 HB2 LEU 8 HB2 LEU 8 -11.166 -4.531 4.620 70 HB3 LEU 8 HB3 LEU 8 -9.951 -3.800 3.639 71 HG LEU 8 HG LEU 8 -11.700 -6.221 3.015 72 HD11 LEU 8 HD11 LEU 8 -12.638 -3.925 2.715 73 HD12 LEU 8 HD12 LEU 8 -11.304 -3.533 1.614 74 HD13 LEU 8 HD13 LEU 8 -12.484 -4.777 1.175 75 HD21 LEU 8 HD21 LEU 8 -9.494 -5.193 1.208 76 HD22 LEU 8 HD22 LEU 8 -9.528 -6.795 2.000 77 HD23 LEU 8 HD23 LEU 8 -10.725 -6.382 0.780 78 H THR 9 H THR 9 -8.468 -7.969 4.026 79 HA THR 9 HA THR 9 -10.781 -9.421 5.131 80 HB THR 9 HB THR 9 -9.503 -11.323 3.990 81 HG1 THR 9 HG1 THR 9 -7.987 -10.862 2.574 82 HG21 THR 9 HG21 THR 9 -10.482 -9.005 2.262 83 HG22 THR 9 HG22 THR 9 -10.290 -10.686 1.728 84 HG23 THR 9 HG23 THR 9 -11.479 -10.291 2.977 85 H GLY 10 H GLY 10 -7.669 -8.373 6.137 86 HA2 GLY 10 HA2 GLY 10 -6.810 -8.673 8.264 87 HA3 GLY 10 HA3 GLY 10 -7.678 -10.208 8.439 88 H LYS 11 H LYS 11 -6.237 -10.088 5.367 89 HA LYS 11 HA LYS 11 -4.147 -11.987 6.215 90 HB2 LYS 11 HB2 LYS 11 -5.713 -11.373 3.788 91 HB3 LYS 11 HB3 LYS 11 -4.016 -11.354 3.386 92 HG2 LYS 11 HG2 LYS 11 -5.394 -13.627 4.855 93 HG3 LYS 11 HG3 LYS 11 -5.232 -13.562 3.106 94 HD2 LYS 11 HD2 LYS 11 -2.895 -13.613 5.078 95 HD3 LYS 11 HD3 LYS 11 -3.515 -15.006 4.210 96 HE2 LYS 11 HE2 LYS 11 -2.190 -12.563 2.958 97 HE3 LYS 11 HE3 LYS 11 -1.510 -14.185 3.145 98 HZ1 LYS 11 HZ1 LYS 11 -3.639 -13.338 1.299 99 HZ2 LYS 11 HZ2 LYS 11 -2.240 -14.097 0.984 100 HZ3 LYS 11 HZ3 LYS 11 -3.444 -14.927 1.704 101 H THR 12 H THR 12 -1.900 -11.658 5.394 102 HA THR 12 HA THR 12 -1.218 -8.795 5.071 103 HB THR 12 HB THR 12 0.648 -10.801 6.260 104 HG1 THR 12 HG1 THR 12 -0.188 -10.708 8.135 105 HG21 THR 12 HG21 THR 12 1.538 -8.783 7.405 106 HG22 THR 12 HG22 THR 12 1.533 -8.583 5.646 107 HG23 THR 12 HG23 THR 12 0.282 -7.789 6.634 108 H ILE 13 H ILE 13 0.250 -8.357 3.513 109 HA ILE 13 HA ILE 13 0.949 -10.495 1.563 110 HB ILE 13 HB ILE 13 0.626 -7.494 1.129 111 HG12 ILE 13 HG12 ILE 13 -1.571 -8.255 1.879 112 HG13 ILE 13 HG13 ILE 13 -1.580 -7.777 0.220 113 HG21 ILE 13 HG21 ILE 13 1.918 -8.503 -0.629 114 HG22 ILE 13 HG22 ILE 13 0.760 -9.832 -0.796 115 HG23 ILE 13 HG23 ILE 13 0.312 -8.180 -1.274 116 HD11 ILE 13 HD11 ILE 13 -2.926 -9.809 0.605 117 HD12 ILE 13 HD12 ILE 13 -1.574 -10.168 -0.482 118 HD13 ILE 13 HD13 ILE 13 -1.506 -10.667 1.221 119 H THR 14 H THR 14 3.095 -10.208 0.621 120 HA THR 14 HA THR 14 5.007 -8.500 2.111 121 HB THR 14 HB THR 14 5.454 -11.304 0.983 122 HG1 THR 14 HG1 THR 14 4.226 -11.445 2.805 123 HG21 THR 14 HG21 THR 14 7.207 -9.530 2.717 124 HG22 THR 14 HG22 THR 14 7.591 -11.178 2.197 125 HG23 THR 14 HG23 THR 14 7.489 -9.887 0.997 126 H LEU 15 H LEU 15 6.094 -7.165 0.644 127 HA LEU 15 HA LEU 15 6.080 -7.915 -2.238 128 HB2 LEU 15 HB2 LEU 15 5.435 -5.180 -1.056 129 HB3 LEU 15 HB3 LEU 15 5.734 -5.511 -2.758 130 HG LEU 15 HG LEU 15 3.375 -6.561 -1.145 131 HD11 LEU 15 HD11 LEU 15 2.119 -5.022 -2.662 132 HD12 LEU 15 HD12 LEU 15 3.232 -4.172 -1.576 133 HD13 LEU 15 HD13 LEU 15 3.656 -4.408 -3.284 134 HD21 LEU 15 HD21 LEU 15 4.107 -6.927 -4.082 135 HD22 LEU 15 HD22 LEU 15 3.883 -8.193 -2.889 136 HD23 LEU 15 HD23 LEU 15 2.487 -7.247 -3.413 137 H GLU 16 H GLU 16 7.812 -7.065 -3.380 138 HA GLU 16 HA GLU 16 10.163 -6.207 -1.763 139 HB2 GLU 16 HB2 GLU 16 10.420 -8.371 -2.882 140 HB3 GLU 16 HB3 GLU 16 10.005 -7.637 -4.448 141 HG2 GLU 16 HG2 GLU 16 12.016 -6.298 -4.442 142 HG3 GLU 16 HG3 GLU 16 12.319 -6.645 -2.731 143 H VAL 17 H VAL 17 10.378 -4.080 -1.912 144 HA VAL 17 HA VAL 17 9.840 -2.683 -4.453 145 HB VAL 17 HB VAL 17 8.535 -0.940 -3.373 146 HG11 VAL 17 HG11 VAL 17 7.256 -2.874 -4.257 147 HG12 VAL 17 HG12 VAL 17 7.297 -3.643 -2.653 148 HG13 VAL 17 HG13 VAL 17 6.440 -2.115 -2.884 149 HG21 VAL 17 HG21 VAL 17 9.430 -0.969 -1.126 150 HG22 VAL 17 HG22 VAL 17 7.683 -1.157 -1.073 151 HG23 VAL 17 HG23 VAL 17 8.731 -2.573 -0.820 152 H GLU 18 H GLU 18 10.612 -0.130 -3.783 153 HA GLU 18 HA GLU 18 12.993 -0.326 -2.091 154 HB2 GLU 18 HB2 GLU 18 14.482 0.408 -3.867 155 HB3 GLU 18 HB3 GLU 18 13.703 -1.088 -4.337 156 HG2 GLU 18 HG2 GLU 18 12.050 0.314 -5.694 157 HG3 GLU 18 HG3 GLU 18 13.060 1.724 -5.325 158 HA PRO 19 HA PRO 19 12.082 3.772 -0.951 159 HB2 PRO 19 HB2 PRO 19 14.737 4.734 -2.024 160 HB3 PRO 19 HB3 PRO 19 13.991 5.050 -0.428 161 HG2 PRO 19 HG2 PRO 19 15.936 3.209 -0.647 162 HG3 PRO 19 HG3 PRO 19 14.476 2.828 0.321 163 HD2 PRO 19 HD2 PRO 19 15.105 2.018 -2.523 164 HD3 PRO 19 HD3 PRO 19 14.473 1.013 -1.184 165 H SER 20 H SER 20 13.085 3.290 -4.292 166 HA SER 20 HA SER 20 11.764 5.821 -5.120 167 HB2 SER 20 HB2 SER 20 13.772 4.034 -6.545 168 HB3 SER 20 HB3 SER 20 13.161 5.608 -7.083 169 HG SER 20 HG SER 20 14.412 6.607 -5.762 170 H ASP 21 H ASP 21 10.286 3.221 -4.481 171 HA ASP 21 HA ASP 21 9.271 2.497 -7.196 172 HB2 ASP 21 HB2 ASP 21 9.832 0.664 -5.552 173 HB3 ASP 21 HB3 ASP 21 8.592 1.307 -4.474 174 H THR 22 H THR 22 7.237 3.422 -7.816 175 HA THR 22 HA THR 22 6.224 5.543 -6.062 176 HB THR 22 HB THR 22 4.479 5.705 -7.957 177 HG1 THR 22 HG1 THR 22 6.094 4.648 -9.808 178 HG21 THR 22 HG21 THR 22 7.396 6.251 -8.556 179 HG22 THR 22 HG22 THR 22 6.011 6.921 -9.445 180 HG23 THR 22 HG23 THR 22 6.260 7.331 -7.744 181 H ILE 23 H ILE 23 4.059 5.750 -5.364 182 HA ILE 23 HA ILE 23 2.981 3.348 -4.225 183 HB ILE 23 HB ILE 23 1.595 5.991 -4.709 184 HG12 ILE 23 HG12 ILE 23 3.559 6.381 -3.398 185 HG13 ILE 23 HG13 ILE 23 2.151 6.483 -2.347 186 HG21 ILE 23 HG21 ILE 23 -0.133 4.411 -4.201 187 HG22 ILE 23 HG22 ILE 23 0.801 3.702 -2.874 188 HG23 ILE 23 HG23 ILE 23 0.147 5.352 -2.740 189 HD11 ILE 23 HD11 ILE 23 4.127 4.167 -2.481 190 HD12 ILE 23 HD12 ILE 23 3.970 5.363 -1.193 191 HD13 ILE 23 HD13 ILE 23 2.663 4.204 -1.465 192 H GLU 24 H GLU 24 2.479 4.838 -7.374 193 HA GLU 24 HA GLU 24 0.063 3.611 -8.152 194 HB2 GLU 24 HB2 GLU 24 1.199 5.406 -9.413 195 HB3 GLU 24 HB3 GLU 24 2.559 4.329 -9.773 196 HG2 GLU 24 HG2 GLU 24 1.070 2.845 -11.066 197 HG3 GLU 24 HG3 GLU 24 -0.322 3.844 -10.621 198 H ASN 25 H ASN 25 3.433 2.455 -8.223 199 HA ASN 25 HA ASN 25 2.846 -0.089 -9.457 200 HB2 ASN 25 HB2 ASN 25 5.272 1.190 -8.185 201 HB3 ASN 25 HB3 ASN 25 5.259 -0.540 -8.527 202 HD21 ASN 25 HD21 ASN 25 5.415 2.127 -11.633 203 HD22 ASN 25 HD22 ASN 25 5.497 2.631 -9.961 204 H VAL 26 H VAL 26 3.708 0.912 -6.088 205 HA VAL 26 HA VAL 26 3.414 -1.651 -4.956 206 HB VAL 26 HB VAL 26 2.747 0.982 -3.579 207 HG11 VAL 26 HG11 VAL 26 2.047 -1.005 -2.270 208 HG12 VAL 26 HG12 VAL 26 3.659 -1.716 -2.475 209 HG13 VAL 26 HG13 VAL 26 3.445 -0.234 -1.521 210 HG21 VAL 26 HG21 VAL 26 5.012 1.153 -4.502 211 HG22 VAL 26 HG22 VAL 26 5.149 0.840 -2.780 212 HG23 VAL 26 HG23 VAL 26 5.406 -0.462 -3.954 213 H LYS 27 H LYS 27 0.858 0.755 -5.677 214 HA LYS 27 HA LYS 27 -1.211 -0.807 -4.424 215 HB2 LYS 27 HB2 LYS 27 -1.113 1.696 -4.742 216 HB3 LYS 27 HB3 LYS 27 -1.513 1.441 -6.453 217 HG2 LYS 27 HG2 LYS 27 -3.664 0.525 -5.841 218 HG3 LYS 27 HG3 LYS 27 -3.204 0.398 -4.131 219 HD2 LYS 27 HD2 LYS 27 -4.710 2.256 -4.415 220 HD3 LYS 27 HD3 LYS 27 -3.097 2.877 -4.003 221 HE2 LYS 27 HE2 LYS 27 -2.659 3.412 -6.361 222 HE3 LYS 27 HE3 LYS 27 -4.160 2.623 -6.846 223 HZ1 LYS 27 HZ1 LYS 27 -4.410 4.969 -6.809 224 HZ2 LYS 27 HZ2 LYS 27 -5.376 4.342 -5.615 225 HZ3 LYS 27 HZ3 LYS 27 -3.955 5.114 -5.273 226 H ALA 28 H ALA 28 0.417 -1.194 -7.419 227 HA ALA 28 HA ALA 28 -1.800 -2.672 -8.723 228 HB1 ALA 28 HB1 ALA 28 1.022 -2.040 -9.709 229 HB2 ALA 28 HB2 ALA 28 -0.284 -2.826 -10.618 230 HB3 ALA 28 HB3 ALA 28 -0.451 -1.131 -10.125 231 H LYS 29 H LYS 29 1.508 -3.117 -7.432 232 HA LYS 29 HA LYS 29 1.880 -5.834 -7.837 233 HB2 LYS 29 HB2 LYS 29 2.709 -4.031 -5.532 234 HB3 LYS 29 HB3 LYS 29 3.226 -5.709 -5.651 235 HG2 LYS 29 HG2 LYS 29 4.467 -5.330 -7.665 236 HG3 LYS 29 HG3 LYS 29 3.814 -3.694 -7.846 237 HD2 LYS 29 HD2 LYS 29 4.926 -2.979 -5.779 238 HD3 LYS 29 HD3 LYS 29 5.551 -4.600 -5.495 239 HE2 LYS 29 HE2 LYS 29 6.243 -3.367 -8.142 240 HE3 LYS 29 HE3 LYS 29 6.877 -2.523 -6.733 241 HZ1 LYS 29 HZ1 LYS 29 7.962 -4.540 -6.012 242 HZ2 LYS 29 HZ2 LYS 29 7.377 -5.393 -7.291 243 HZ3 LYS 29 HZ3 LYS 29 8.441 -4.156 -7.502 244 H ILE 30 H ILE 30 -0.030 -4.293 -5.235 245 HA ILE 30 HA ILE 30 -0.577 -6.720 -3.821 246 HB ILE 30 HB ILE 30 -2.460 -5.442 -2.792 247 HG12 ILE 30 HG12 ILE 30 -1.490 -3.168 -4.551 248 HG13 ILE 30 HG13 ILE 30 -3.008 -4.039 -4.786 249 HG21 ILE 30 HG21 ILE 30 -1.013 -3.972 -1.517 250 HG22 ILE 30 HG22 ILE 30 -0.123 -5.438 -1.915 251 HG23 ILE 30 HG23 ILE 30 0.176 -3.928 -2.818 252 HD11 ILE 30 HD11 ILE 30 -3.742 -3.268 -2.518 253 HD12 ILE 30 HD12 ILE 30 -2.259 -2.268 -2.443 254 HD13 ILE 30 HD13 ILE 30 -3.478 -1.964 -3.688 255 H GLN 31 H GLN 31 -2.041 -5.457 -6.831 256 HA GLN 31 HA GLN 31 -4.457 -7.043 -6.579 257 HB2 GLN 31 HB2 GLN 31 -3.158 -5.930 -9.102 258 HB3 GLN 31 HB3 GLN 31 -4.849 -6.380 -8.880 259 HG2 GLN 31 HG2 GLN 31 -5.145 -4.520 -7.286 260 HG3 GLN 31 HG3 GLN 31 -3.453 -4.068 -7.452 261 HE21 GLN 31 HE21 GLN 31 -5.345 -1.799 -9.661 262 HE22 GLN 31 HE22 GLN 31 -5.448 -2.176 -7.945 263 H ASP 32 H ASP 32 -1.161 -7.576 -7.624 264 HA ASP 32 HA ASP 32 -1.710 -10.042 -9.154 265 HB2 ASP 32 HB2 ASP 32 0.246 -9.072 -9.911 266 HB3 ASP 32 HB3 ASP 32 0.730 -8.509 -8.326 267 H LYS 33 H LYS 33 -0.643 -9.135 -5.882 268 HA LYS 33 HA LYS 33 -0.392 -11.898 -5.024 269 HB2 LYS 33 HB2 LYS 33 -0.024 -9.179 -3.792 270 HB3 LYS 33 HB3 LYS 33 -0.195 -10.560 -2.722 271 HG2 LYS 33 HG2 LYS 33 1.778 -10.786 -4.996 272 HG3 LYS 33 HG3 LYS 33 2.196 -9.775 -3.610 273 HD2 LYS 33 HD2 LYS 33 1.970 -11.588 -2.059 274 HD3 LYS 33 HD3 LYS 33 1.276 -12.653 -3.294 275 HE2 LYS 33 HE2 LYS 33 3.408 -12.596 -4.548 276 HE3 LYS 33 HE3 LYS 33 4.121 -11.532 -3.323 277 HZ1 LYS 33 HZ1 LYS 33 3.921 -13.318 -1.709 278 HZ2 LYS 33 HZ2 LYS 33 3.109 -14.269 -2.779 279 HZ3 LYS 33 HZ3 LYS 33 4.681 -13.906 -3.018 280 H GLU 34 H GLU 34 -3.212 -9.657 -4.937 281 HA GLU 34 HA GLU 34 -4.662 -11.849 -3.691 282 HB2 GLU 34 HB2 GLU 34 -3.665 -10.196 -1.859 283 HB3 GLU 34 HB3 GLU 34 -4.943 -9.119 -2.392 284 HG2 GLU 34 HG2 GLU 34 -5.795 -10.296 -0.512 285 HG3 GLU 34 HG3 GLU 34 -6.569 -11.080 -1.893 286 H GLY 35 H GLY 35 -7.029 -11.496 -3.903 287 HA2 GLY 35 HA2 GLY 35 -7.622 -10.164 -6.417 288 HA3 GLY 35 HA3 GLY 35 -8.712 -11.154 -5.451 289 H ILE 36 H ILE 36 -7.238 -7.950 -5.790 290 HA ILE 36 HA ILE 36 -9.636 -6.701 -4.581 291 HB ILE 36 HB ILE 36 -7.933 -5.046 -3.493 292 HG12 ILE 36 HG12 ILE 36 -6.305 -7.637 -3.363 293 HG13 ILE 36 HG13 ILE 36 -5.855 -6.254 -4.342 294 HG21 ILE 36 HG21 ILE 36 -8.479 -7.745 -2.194 295 HG22 ILE 36 HG22 ILE 36 -8.285 -6.184 -1.383 296 HG23 ILE 36 HG23 ILE 36 -9.696 -6.465 -2.388 297 HD11 ILE 36 HD11 ILE 36 -5.979 -6.413 -1.316 298 HD12 ILE 36 HD12 ILE 36 -4.558 -6.212 -2.338 299 HD13 ILE 36 HD13 ILE 36 -5.734 -4.887 -2.211 300 HA PRO 37 HA PRO 37 -8.686 -4.745 -8.587 301 HB2 PRO 37 HB2 PRO 37 -11.425 -3.577 -8.174 302 HB3 PRO 37 HB3 PRO 37 -10.807 -4.487 -9.579 303 HG2 PRO 37 HG2 PRO 37 -12.568 -5.603 -7.854 304 HG3 PRO 37 HG3 PRO 37 -11.189 -6.565 -8.502 305 HD2 PRO 37 HD2 PRO 37 -11.353 -5.082 -5.851 306 HD3 PRO 37 HD3 PRO 37 -10.867 -6.773 -6.188 307 HA PRO 38 HA PRO 38 -7.977 -0.516 -7.280 308 HB2 PRO 38 HB2 PRO 38 -7.982 0.959 -9.563 309 HB3 PRO 38 HB3 PRO 38 -6.800 -0.344 -9.319 310 HG2 PRO 38 HG2 PRO 38 -9.426 -0.492 -10.840 311 HG3 PRO 38 HG3 PRO 38 -7.803 -1.024 -11.386 312 HD2 PRO 38 HD2 PRO 38 -9.631 -2.741 -10.279 313 HD3 PRO 38 HD3 PRO 38 -7.877 -2.947 -10.040 314 H ASP 39 H ASP 39 -10.420 -1.174 -6.436 315 HA ASP 39 HA ASP 39 -12.080 1.228 -6.725 316 HB2 ASP 39 HB2 ASP 39 -13.223 -0.206 -8.297 317 HB3 ASP 39 HB3 ASP 39 -13.067 -1.610 -7.224 318 H GLN 40 H GLN 40 -12.641 1.808 -4.702 319 HA GLN 40 HA GLN 40 -12.517 1.895 -2.440 320 HB2 GLN 40 HB2 GLN 40 -13.660 -0.921 -2.550 321 HB3 GLN 40 HB3 GLN 40 -13.661 0.183 -1.189 322 HG2 GLN 40 HG2 GLN 40 -15.333 0.239 -3.663 323 HG3 GLN 40 HG3 GLN 40 -15.814 0.428 -1.980 324 HE21 GLN 40 HE21 GLN 40 -15.304 3.685 -4.278 325 HE22 GLN 40 HE22 GLN 40 -15.378 2.026 -4.881 326 H ASN 41 H ASN 41 -10.163 1.761 -3.383 327 HA ASN 41 HA ASN 41 -8.728 -0.013 -1.553 328 HB2 ASN 41 HB2 ASN 41 -8.955 -1.072 -3.864 329 HB3 ASN 41 HB3 ASN 41 -8.065 0.301 -4.513 330 HD21 ASN 41 HD21 ASN 41 -6.219 -2.785 -2.859 331 HD22 ASN 41 HD22 ASN 41 -7.895 -2.537 -2.398 332 H ARG 42 H ARG 42 -7.034 1.163 -0.577 333 HA ARG 42 HA ARG 42 -5.651 3.351 -1.897 334 HB2 ARG 42 HB2 ARG 42 -7.658 4.552 -1.177 335 HB3 ARG 42 HB3 ARG 42 -7.520 3.890 0.460 336 HG2 ARG 42 HG2 ARG 42 -5.489 5.142 0.874 337 HG3 ARG 42 HG3 ARG 42 -5.418 5.692 -0.806 338 HD2 ARG 42 HD2 ARG 42 -7.747 6.301 1.058 339 HD3 ARG 42 HD3 ARG 42 -6.356 7.361 0.886 340 HE ARG 42 HE ARG 42 -8.557 7.025 -0.974 341 HH11 ARG 42 HH11 ARG 42 -5.101 8.008 -0.849 342 HH12 ARG 42 HH12 ARG 42 -5.367 9.262 -2.024 343 HH21 ARG 42 HH21 ARG 42 -8.734 8.583 -2.646 344 HH22 ARG 42 HH22 ARG 42 -7.345 9.468 -3.154 345 H LEU 43 H LEU 43 -3.612 3.350 -1.062 346 HA LEU 43 HA LEU 43 -2.981 1.486 1.106 347 HB2 LEU 43 HB2 LEU 43 -1.805 1.638 -1.149 348 HB3 LEU 43 HB3 LEU 43 -1.185 3.209 -0.645 349 HG LEU 43 HG LEU 43 -0.038 2.068 1.286 350 HD11 LEU 43 HD11 LEU 43 -1.385 0.009 1.489 351 HD12 LEU 43 HD12 LEU 43 -0.877 -0.494 -0.137 352 HD13 LEU 43 HD13 LEU 43 0.308 -0.381 1.177 353 HD21 LEU 43 HD21 LEU 43 1.751 1.080 -0.132 354 HD22 LEU 43 HD22 LEU 43 0.627 1.015 -1.509 355 HD23 LEU 43 HD23 LEU 43 1.137 2.575 -0.839 356 H ILE 44 H ILE 44 -2.073 2.053 3.097 357 HA ILE 44 HA ILE 44 -1.801 4.935 3.797 358 HB ILE 44 HB ILE 44 -2.986 2.755 5.540 359 HG12 ILE 44 HG12 ILE 44 -4.590 2.963 3.714 360 HG13 ILE 44 HG13 ILE 44 -5.211 3.467 5.264 361 HG21 ILE 44 HG21 ILE 44 -3.861 4.598 6.919 362 HG22 ILE 44 HG22 ILE 44 -2.103 4.638 6.801 363 HG23 ILE 44 HG23 ILE 44 -3.084 5.770 5.851 364 HD11 ILE 44 HD11 ILE 44 -5.983 4.949 3.447 365 HD12 ILE 44 HD12 ILE 44 -5.035 5.830 4.645 366 HD13 ILE 44 HD13 ILE 44 -4.321 5.381 3.080 367 H PHE 45 H PHE 45 -0.092 5.351 5.283 368 HA PHE 45 HA PHE 45 1.425 3.042 6.418 369 HB2 PHE 45 HB2 PHE 45 2.753 3.730 4.532 370 HB3 PHE 45 HB3 PHE 45 2.567 5.431 4.945 371 HD1 PHE 45 HD1 PHE 45 3.682 2.331 6.847 372 HD2 PHE 45 HD2 PHE 45 4.584 6.381 5.617 373 HE1 PHE 45 HE1 PHE 45 5.798 2.259 8.118 374 HE2 PHE 45 HE2 PHE 45 6.731 6.260 6.825 375 HZ PHE 45 HZ PHE 45 7.332 4.220 8.114 376 H ALA 46 H ALA 46 1.337 3.257 8.569 377 HA ALA 46 HA ALA 46 0.926 4.110 10.634 378 HB1 ALA 46 HB1 ALA 46 3.314 4.685 10.215 379 HB2 ALA 46 HB2 ALA 46 2.791 6.312 9.719 380 HB3 ALA 46 HB3 ALA 46 2.509 5.759 11.380 381 H GLY 47 H GLY 47 -1.159 4.632 9.029 382 HA2 GLY 47 HA2 GLY 47 -3.137 5.759 9.146 383 HA3 GLY 47 HA3 GLY 47 -2.416 6.915 10.263 384 H LYS 48 H LYS 48 -0.244 7.342 7.865 385 HA LYS 48 HA LYS 48 -1.785 9.586 6.769 386 HB2 LYS 48 HB2 LYS 48 0.545 9.962 7.295 387 HB3 LYS 48 HB3 LYS 48 1.059 8.638 6.235 388 HG2 LYS 48 HG2 LYS 48 0.616 9.799 4.282 389 HG3 LYS 48 HG3 LYS 48 -0.613 10.828 5.009 390 HD2 LYS 48 HD2 LYS 48 2.341 11.106 5.662 391 HD3 LYS 48 HD3 LYS 48 1.542 11.970 4.336 392 HE2 LYS 48 HE2 LYS 48 -0.075 12.979 5.894 393 HE3 LYS 48 HE3 LYS 48 0.671 12.128 7.259 394 HZ1 LYS 48 HZ1 LYS 48 2.050 14.127 5.566 395 HZ2 LYS 48 HZ2 LYS 48 1.445 14.430 7.040 396 HZ3 LYS 48 HZ3 LYS 48 2.674 13.356 6.897 397 H GLN 49 H GLN 49 -2.832 9.576 4.893 398 HA GLN 49 HA GLN 49 -3.129 7.082 3.451 399 HB2 GLN 49 HB2 GLN 49 -4.181 9.755 2.489 400 HB3 GLN 49 HB3 GLN 49 -4.803 8.149 2.190 401 HG2 GLN 49 HG2 GLN 49 -6.358 9.108 3.666 402 HG3 GLN 49 HG3 GLN 49 -5.413 8.031 4.690 403 HE21 GLN 49 HE21 GLN 49 -5.207 10.863 6.888 404 HE22 GLN 49 HE22 GLN 49 -5.673 9.182 6.711 405 H LEU 50 H LEU 50 -2.196 6.549 1.479 406 HA LEU 50 HA LEU 50 -0.163 8.450 0.425 407 HB2 LEU 50 HB2 LEU 50 -0.199 5.483 -0.094 408 HB3 LEU 50 HB3 LEU 50 1.145 6.615 -0.195 409 HG LEU 50 HG LEU 50 -0.133 5.508 2.338 410 HD11 LEU 50 HD11 LEU 50 2.585 5.042 1.054 411 HD12 LEU 50 HD12 LEU 50 2.009 4.326 2.573 412 HD13 LEU 50 HD13 LEU 50 1.228 3.918 1.048 413 HD21 LEU 50 HD21 LEU 50 0.883 7.923 2.506 414 HD22 LEU 50 HD22 LEU 50 1.350 6.701 3.678 415 HD23 LEU 50 HD23 LEU 50 2.432 7.079 2.328 416 H GLU 51 H GLU 51 0.096 8.444 -1.888 417 HA GLU 51 HA GLU 51 -1.945 7.221 -3.542 418 HB2 GLU 51 HB2 GLU 51 -2.702 9.418 -4.430 419 HB3 GLU 51 HB3 GLU 51 -3.076 9.221 -2.725 420 HG2 GLU 51 HG2 GLU 51 -0.746 10.542 -2.408 421 HG3 GLU 51 HG3 GLU 51 -1.107 11.084 -4.044 422 H ASP 52 H ASP 52 -1.513 8.019 -5.813 423 HA ASP 52 HA ASP 52 1.187 7.426 -6.518 424 HB2 ASP 52 HB2 ASP 52 0.389 7.657 -8.854 425 HB3 ASP 52 HB3 ASP 52 -0.616 6.595 -7.875 426 H GLY 53 H GLY 53 2.433 8.596 -8.048 427 HA2 GLY 53 HA2 GLY 53 3.238 10.559 -9.047 428 HA3 GLY 53 HA3 GLY 53 2.404 11.547 -7.838 429 H ARG 54 H ARG 54 3.274 9.624 -5.641 430 HA ARG 54 HA ARG 54 6.082 10.610 -5.300 431 HB2 ARG 54 HB2 ARG 54 3.825 9.935 -3.395 432 HB3 ARG 54 HB3 ARG 54 5.490 10.129 -2.835 433 HG2 ARG 54 HG2 ARG 54 5.488 12.450 -3.761 434 HG3 ARG 54 HG3 ARG 54 3.761 12.235 -4.173 435 HD2 ARG 54 HD2 ARG 54 3.826 11.378 -1.542 436 HD3 ARG 54 HD3 ARG 54 5.114 12.585 -1.539 437 HE ARG 54 HE ARG 54 2.980 13.787 -2.825 438 HH11 ARG 54 HH11 ARG 54 3.969 12.751 0.420 439 HH12 ARG 54 HH12 ARG 54 2.704 13.559 1.264 440 HH21 ARG 54 HH21 ARG 54 1.291 14.914 -1.724 441 HH22 ARG 54 HH22 ARG 54 1.272 14.992 0.016 442 H THR 55 H THR 55 7.403 9.252 -3.879 443 HA THR 55 HA THR 55 7.210 6.360 -4.493 444 HB THR 55 HB THR 55 9.681 6.442 -4.360 445 HG1 THR 55 HG1 THR 55 9.297 9.271 -4.062 446 HG21 THR 55 HG21 THR 55 10.151 7.615 -6.438 447 HG22 THR 55 HG22 THR 55 8.645 6.696 -6.560 448 HG23 THR 55 HG23 THR 55 8.597 8.465 -6.361 449 H LEU 56 H LEU 56 8.557 5.005 -2.948 450 HA LEU 56 HA LEU 56 7.436 4.987 -0.404 451 HB2 LEU 56 HB2 LEU 56 9.609 3.570 -1.781 452 HB3 LEU 56 HB3 LEU 56 10.018 3.854 -0.101 453 HG LEU 56 HG LEU 56 7.622 2.904 0.420 454 HD11 LEU 56 HD11 LEU 56 8.213 1.638 -2.280 455 HD12 LEU 56 HD12 LEU 56 6.921 1.161 -1.176 456 HD13 LEU 56 HD13 LEU 56 6.892 2.768 -1.960 457 HD21 LEU 56 HD21 LEU 56 9.976 1.186 -0.450 458 HD22 LEU 56 HD22 LEU 56 9.725 1.895 1.157 459 HD23 LEU 56 HD23 LEU 56 8.625 0.645 0.569 460 H SER 57 H SER 57 10.644 6.356 -1.319 461 HA SER 57 HA SER 57 11.311 7.070 1.357 462 HB2 SER 57 HB2 SER 57 12.759 6.948 -0.942 463 HB3 SER 57 HB3 SER 57 12.529 8.701 -0.823 464 HG SER 57 HG SER 57 13.935 8.665 0.742 465 H ASP 58 H ASP 58 9.353 8.757 -1.103 466 HA ASP 58 HA ASP 58 9.495 11.353 0.107 467 HB2 ASP 58 HB2 ASP 58 7.249 10.087 -1.505 468 HB3 ASP 58 HB3 ASP 58 7.332 11.783 -1.031 469 H TYR 59 H TYR 59 7.342 8.548 0.651 470 HA TYR 59 HA TYR 59 5.951 9.938 2.854 471 HB2 TYR 59 HB2 TYR 59 5.810 7.084 1.853 472 HB3 TYR 59 HB3 TYR 59 4.788 7.751 3.122 473 HD1 TYR 59 HD1 TYR 59 3.271 9.789 2.554 474 HD2 TYR 59 HD2 TYR 59 5.239 7.364 -0.434 475 HE1 TYR 59 HE1 TYR 59 1.630 10.543 0.857 476 HE2 TYR 59 HE2 TYR 59 3.652 8.159 -2.119 477 HH TYR 59 HH TYR 59 1.675 9.372 -2.551 478 H ASN 60 H ASN 60 8.963 8.723 2.615 479 HA ASN 60 HA ASN 60 10.581 8.013 3.977 480 HB2 ASN 60 HB2 ASN 60 9.752 10.117 5.077 481 HB3 ASN 60 HB3 ASN 60 8.806 9.106 6.177 482 HD21 ASN 60 HD21 ASN 60 11.633 9.714 8.275 483 HD22 ASN 60 HD22 ASN 60 10.060 10.328 7.739 484 H ILE 61 H ILE 61 8.933 6.007 3.134 485 HA ILE 61 HA ILE 61 8.092 4.335 5.387 486 HB ILE 61 HB ILE 61 8.223 3.960 2.368 487 HG12 ILE 61 HG12 ILE 61 5.780 4.015 4.172 488 HG13 ILE 61 HG13 ILE 61 6.464 5.510 3.543 489 HG21 ILE 61 HG21 ILE 61 7.092 2.023 4.446 490 HG22 ILE 61 HG22 ILE 61 6.918 1.851 2.692 491 HG23 ILE 61 HG23 ILE 61 8.509 1.727 3.415 492 HD11 ILE 61 HD11 ILE 61 5.377 3.231 1.851 493 HD12 ILE 61 HD12 ILE 61 4.588 4.779 2.193 494 HD13 ILE 61 HD13 ILE 61 6.076 4.745 1.239 495 H GLN 62 H GLN 62 9.428 3.064 6.455 496 HA GLN 62 HA GLN 62 12.194 2.661 5.511 497 HB2 GLN 62 HB2 GLN 62 10.878 1.906 8.156 498 HB3 GLN 62 HB3 GLN 62 12.604 1.890 7.794 499 HG2 GLN 62 HG2 GLN 62 10.788 4.321 8.054 500 HG3 GLN 62 HG3 GLN 62 12.130 3.859 9.095 501 HE21 GLN 62 HE21 GLN 62 12.832 6.076 5.730 502 HE22 GLN 62 HE22 GLN 62 11.234 5.717 6.313 503 H LYS 63 H LYS 63 13.112 0.394 6.000 504 HA LYS 63 HA LYS 63 11.584 -1.441 4.398 505 HB2 LYS 63 HB2 LYS 63 13.443 -2.920 4.576 506 HB3 LYS 63 HB3 LYS 63 13.982 -1.275 4.267 507 HG2 LYS 63 HG2 LYS 63 14.693 -0.997 6.570 508 HG3 LYS 63 HG3 LYS 63 14.130 -2.634 6.981 509 HD2 LYS 63 HD2 LYS 63 15.713 -3.646 5.475 510 HD3 LYS 63 HD3 LYS 63 16.128 -2.086 4.747 511 HE2 LYS 63 HE2 LYS 63 17.192 -1.310 6.756 512 HE3 LYS 63 HE3 LYS 63 16.648 -2.723 7.673 513 HZ1 LYS 63 HZ1 LYS 63 18.337 -2.985 5.281 514 HZ2 LYS 63 HZ2 LYS 63 18.997 -2.782 6.782 515 HZ3 LYS 63 HZ3 LYS 63 18.066 -4.106 6.440 516 H GLU 64 H GLU 64 11.032 -3.592 4.939 517 HA GLU 64 HA GLU 64 9.594 -4.958 5.888 518 HB2 GLU 64 HB2 GLU 64 11.622 -4.552 8.116 519 HB3 GLU 64 HB3 GLU 64 10.354 -5.775 8.172 520 HG2 GLU 64 HG2 GLU 64 12.257 -6.871 7.396 521 HG3 GLU 64 HG3 GLU 64 11.152 -6.752 6.047 522 H SER 65 H SER 65 8.697 -2.212 5.949 523 HA SER 65 HA SER 65 7.350 -1.765 8.483 524 HB2 SER 65 HB2 SER 65 6.248 0.060 7.019 525 HB3 SER 65 HB3 SER 65 7.981 0.192 7.344 526 HG SER 65 HG SER 65 8.418 -0.080 5.324 527 H THR 66 H THR 66 4.889 -1.557 8.489 528 HA THR 66 HA THR 66 3.605 -3.527 6.654 529 HB THR 66 HB THR 66 2.963 -3.298 9.602 530 HG1 THR 66 HG1 THR 66 3.896 -5.690 8.952 531 HG21 THR 66 HG21 THR 66 2.162 -5.378 7.502 532 HG22 THR 66 HG22 THR 66 1.612 -5.292 9.191 533 HG23 THR 66 HG23 THR 66 1.129 -4.050 8.026 534 H LEU 67 H LEU 67 2.358 -2.442 5.399 535 HA LEU 67 HA LEU 67 1.183 0.153 6.236 536 HB2 LEU 67 HB2 LEU 67 1.694 -1.233 3.567 537 HB3 LEU 67 HB3 LEU 67 0.626 0.154 3.713 538 HG LEU 67 HG LEU 67 2.512 1.458 4.761 539 HD11 LEU 67 HD11 LEU 67 4.856 0.686 4.168 540 HD12 LEU 67 HD12 LEU 67 4.112 -0.201 5.484 541 HD13 LEU 67 HD13 LEU 67 4.187 -0.928 3.864 542 HD21 LEU 67 HD21 LEU 67 3.601 1.913 2.590 543 HD22 LEU 67 HD22 LEU 67 2.924 0.415 1.929 544 HD23 LEU 67 HD23 LEU 67 1.857 1.751 2.432 545 H HIS 68 H HIS 68 -1.071 0.504 5.304 546 HA HIS 68 HA HIS 68 -2.825 -1.878 5.769 547 HB2 HIS 68 HB2 HIS 68 -2.876 0.895 6.935 548 HB3 HIS 68 HB3 HIS 68 -4.411 0.221 6.431 549 HD1 HIS 68 HD1 HIS 68 -2.143 0.150 9.359 550 HD2 HIS 68 HD2 HIS 68 -5.141 -2.216 7.555 551 HE1 HIS 68 HE1 HIS 68 -3.148 -1.269 11.203 552 H LEU 69 H LEU 69 -4.813 -1.866 4.578 553 HA LEU 69 HA LEU 69 -4.921 -0.056 2.223 554 HB2 LEU 69 HB2 LEU 69 -5.178 -3.066 2.531 555 HB3 LEU 69 HB3 LEU 69 -6.040 -2.267 1.243 556 HG LEU 69 HG LEU 69 -3.063 -1.925 1.602 557 HD11 LEU 69 HD11 LEU 69 -4.561 -3.906 -0.169 558 HD12 LEU 69 HD12 LEU 69 -2.813 -3.637 -0.173 559 HD13 LEU 69 HD13 LEU 69 -3.592 -4.319 1.261 560 HD21 LEU 69 HD21 LEU 69 -4.808 -1.518 -0.864 561 HD22 LEU 69 HD22 LEU 69 -4.272 -0.215 0.192 562 HD23 LEU 69 HD23 LEU 69 -3.079 -1.153 -0.693 563 H VAL 70 H VAL 70 -6.857 1.135 2.357 564 HA VAL 70 HA VAL 70 -9.148 -0.096 3.770 565 HB VAL 70 HB VAL 70 -9.520 1.800 5.199 566 HG11 VAL 70 HG11 VAL 70 -6.594 1.070 5.554 567 HG12 VAL 70 HG12 VAL 70 -7.716 1.691 6.777 568 HG13 VAL 70 HG13 VAL 70 -7.972 0.077 6.090 569 HG21 VAL 70 HG21 VAL 70 -7.102 3.042 3.870 570 HG22 VAL 70 HG22 VAL 70 -8.756 3.667 3.890 571 HG23 VAL 70 HG23 VAL 70 -7.816 3.661 5.384 572 H LEU 71 H LEU 71 -11.132 1.316 3.683 573 HA LEU 71 HA LEU 71 -11.358 3.016 1.291 574 HB2 LEU 71 HB2 LEU 71 -13.259 1.848 0.467 575 HB3 LEU 71 HB3 LEU 71 -11.978 0.677 0.615 576 HG LEU 71 HG LEU 71 -13.773 0.870 3.018 577 HD11 LEU 71 HD11 LEU 71 -15.390 1.184 1.109 578 HD12 LEU 71 HD12 LEU 71 -14.901 -0.423 0.521 579 HD13 LEU 71 HD13 LEU 71 -15.644 -0.250 2.109 580 HD21 LEU 71 HD21 LEU 71 -12.855 -1.513 1.376 581 HD22 LEU 71 HD22 LEU 71 -12.012 -0.869 2.798 582 HD23 LEU 71 HD23 LEU 71 -13.638 -1.551 2.969 583 H ARG 72 H ARG 72 -14.087 3.472 1.395 584 HA ARG 72 HA ARG 72 -14.922 4.119 4.111 585 HB2 ARG 72 HB2 ARG 72 -13.480 6.092 2.739 586 HB3 ARG 72 HB3 ARG 72 -15.104 6.423 2.196 587 HG2 ARG 72 HG2 ARG 72 -14.972 7.776 4.078 588 HG3 ARG 72 HG3 ARG 72 -15.708 6.322 4.772 589 HD2 ARG 72 HD2 ARG 72 -13.260 5.583 5.210 590 HD3 ARG 72 HD3 ARG 72 -12.806 7.264 4.910 591 HE ARG 72 HE ARG 72 -14.815 7.431 6.787 592 HH11 ARG 72 HH11 ARG 72 -11.789 5.533 6.732 593 HH12 ARG 72 HH12 ARG 72 -11.733 5.372 8.453 594 HH21 ARG 72 HH21 ARG 72 -14.712 7.275 8.968 595 HH22 ARG 72 HH22 ARG 72 -13.428 6.423 9.788 596 H LEU 73 H LEU 73 -17.184 3.585 4.023 597 HA LEU 73 HA LEU 73 -18.550 3.820 1.386 598 HB2 LEU 73 HB2 LEU 73 -17.560 1.437 2.272 599 HB3 LEU 73 HB3 LEU 73 -19.098 1.411 3.114 600 HG LEU 73 HG LEU 73 -18.748 1.813 0.105 601 HD11 LEU 73 HD11 LEU 73 -19.447 -0.521 -0.121 602 HD12 LEU 73 HD12 LEU 73 -17.964 -0.417 0.827 603 HD13 LEU 73 HD13 LEU 73 -19.520 -0.706 1.642 604 HD21 LEU 73 HD21 LEU 73 -21.219 1.247 1.802 605 HD22 LEU 73 HD22 LEU 73 -20.874 2.701 0.810 606 HD23 LEU 73 HD23 LEU 73 -21.171 1.157 0.029 607 H ARG 74 H ARG 74 -20.534 4.878 1.676 608 HA ARG 74 HA ARG 74 -21.457 5.188 4.506 609 HB2 ARG 74 HB2 ARG 74 -21.878 6.988 2.093 610 HB3 ARG 74 HB3 ARG 74 -22.612 7.222 3.673 611 HG2 ARG 74 HG2 ARG 74 -19.660 7.376 2.984 612 HG3 ARG 74 HG3 ARG 74 -20.703 8.693 3.503 613 HD2 ARG 74 HD2 ARG 74 -19.830 6.306 5.220 614 HD3 ARG 74 HD3 ARG 74 -19.185 7.932 5.306 615 HE ARG 74 HE ARG 74 -21.857 7.010 6.211 616 HH11 ARG 74 HH11 ARG 74 -19.594 9.722 6.073 617 HH12 ARG 74 HH12 ARG 74 -20.709 10.851 6.759 618 HH21 ARG 74 HH21 ARG 74 -23.204 8.358 7.221 619 HH22 ARG 74 HH22 ARG 74 -22.935 10.082 7.369 620 H GLY 75 H GLY 75 -22.165 3.453 1.751 621 HA2 GLY 75 HA2 GLY 75 -25.074 3.317 2.228 622 HA3 GLY 75 HA3 GLY 75 -24.143 2.525 0.940 623 H GLY 76 H GLY 76 -22.877 2.338 4.245 624 HA2 GLY 76 HA2 GLY 76 -24.108 0.089 5.291 625 HA3 GLY 76 HA3 GLY 76 -22.759 -0.486 4.287 Start of MODEL 8 1 H1 MET 1 H MET 1 14.608 -5.020 -1.290 2 HA MET 1 HA MET 1 14.269 -4.338 1.573 3 HB2 MET 1 HB2 MET 1 14.958 -2.319 0.523 4 HB3 MET 1 HB3 MET 1 13.958 -2.594 -0.902 5 HG2 MET 1 HG2 MET 1 11.913 -2.274 0.477 6 HG3 MET 1 HG3 MET 1 12.931 -1.988 1.888 7 HE1 MET 1 HE1 MET 1 11.531 1.572 1.305 8 HE2 MET 1 HE2 MET 1 10.768 -0.037 1.399 9 HE3 MET 1 HE3 MET 1 12.058 0.412 2.535 10 H GLN 2 H GLN 2 12.364 -5.297 2.366 11 HA GLN 2 HA GLN 2 10.213 -5.614 0.347 12 HB2 GLN 2 HB2 GLN 2 9.528 -7.678 1.344 13 HB3 GLN 2 HB3 GLN 2 11.183 -7.818 0.756 14 HG2 GLN 2 HG2 GLN 2 12.061 -7.767 3.003 15 HG3 GLN 2 HG3 GLN 2 10.506 -7.252 3.673 16 HE21 GLN 2 HE21 GLN 2 9.446 -10.596 4.133 17 HE22 GLN 2 HE22 GLN 2 9.248 -8.910 4.591 18 H ILE 3 H ILE 3 8.065 -5.622 1.273 19 HA ILE 3 HA ILE 3 7.824 -4.245 3.880 20 HB ILE 3 HB ILE 3 6.145 -2.698 2.974 21 HG12 ILE 3 HG12 ILE 3 7.089 -3.510 0.183 22 HG13 ILE 3 HG13 ILE 3 5.584 -4.060 0.916 23 HG21 ILE 3 HG21 ILE 3 7.707 -1.067 2.093 24 HG22 ILE 3 HG22 ILE 3 8.528 -2.034 3.316 25 HG23 ILE 3 HG23 ILE 3 8.847 -2.342 1.604 26 HD11 ILE 3 HD11 ILE 3 5.146 -2.215 -0.577 27 HD12 ILE 3 HD12 ILE 3 4.769 -1.740 1.089 28 HD13 ILE 3 HD13 ILE 3 6.256 -1.158 0.306 29 H PHE 4 H PHE 4 5.453 -4.314 4.547 30 HA PHE 4 HA PHE 4 4.171 -6.804 3.574 31 HB2 PHE 4 HB2 PHE 4 4.347 -5.751 6.422 32 HB3 PHE 4 HB3 PHE 4 3.459 -7.176 5.907 33 HD1 PHE 4 HD1 PHE 4 4.696 -9.242 5.137 34 HD2 PHE 4 HD2 PHE 4 6.717 -5.830 6.851 35 HE1 PHE 4 HE1 PHE 4 6.648 -10.665 5.687 36 HE2 PHE 4 HE2 PHE 4 8.672 -7.249 7.359 37 HZ PHE 4 HZ PHE 4 8.633 -9.680 6.829 38 H VAL 5 H VAL 5 1.844 -6.721 3.646 39 HA VAL 5 HA VAL 5 0.663 -4.069 4.257 40 HB VAL 5 HB VAL 5 -0.095 -5.467 1.678 41 HG11 VAL 5 HG11 VAL 5 -1.674 -3.840 2.651 42 HG12 VAL 5 HG12 VAL 5 -0.405 -2.608 2.703 43 HG13 VAL 5 HG13 VAL 5 -0.978 -3.219 1.144 44 HG21 VAL 5 HG21 VAL 5 1.238 -3.787 0.423 45 HG22 VAL 5 HG22 VAL 5 1.994 -3.258 1.939 46 HG23 VAL 5 HG23 VAL 5 2.265 -4.901 1.317 47 H LYS 6 H LYS 6 -1.231 -4.292 5.339 48 HA LYS 6 HA LYS 6 -2.302 -7.053 5.725 49 HB2 LYS 6 HB2 LYS 6 -1.683 -5.669 7.807 50 HB3 LYS 6 HB3 LYS 6 -3.021 -4.592 7.364 51 HG2 LYS 6 HG2 LYS 6 -4.109 -6.098 8.808 52 HG3 LYS 6 HG3 LYS 6 -4.457 -6.803 7.255 53 HD2 LYS 6 HD2 LYS 6 -3.821 -8.640 8.552 54 HD3 LYS 6 HD3 LYS 6 -2.350 -8.283 7.637 55 HE2 LYS 6 HE2 LYS 6 -1.568 -6.913 9.644 56 HE3 LYS 6 HE3 LYS 6 -2.983 -7.510 10.520 57 HZ1 LYS 6 HZ1 LYS 6 -2.102 -9.783 10.175 58 HZ2 LYS 6 HZ2 LYS 6 -0.766 -9.143 9.428 59 HZ3 LYS 6 HZ3 LYS 6 -1.062 -8.809 10.999 60 H THR 7 H THR 7 -4.143 -7.533 4.524 61 HA THR 7 HA THR 7 -5.293 -5.437 2.860 62 HB THR 7 HB THR 7 -6.781 -7.191 2.068 63 HG1 THR 7 HG1 THR 7 -7.130 -8.983 3.111 64 HG21 THR 7 HG21 THR 7 -5.214 -8.801 1.187 65 HG22 THR 7 HG22 THR 7 -4.422 -7.217 1.207 66 HG23 THR 7 HG23 THR 7 -4.028 -8.434 2.446 67 H LEU 8 H LEU 8 -7.714 -5.104 2.844 68 HA LEU 8 HA LEU 8 -8.558 -4.218 5.440 69 HB2 LEU 8 HB2 LEU 8 -10.462 -3.404 4.438 70 HB3 LEU 8 HB3 LEU 8 -9.264 -3.253 3.164 71 HG LEU 8 HG LEU 8 -11.346 -5.510 3.366 72 HD11 LEU 8 HD11 LEU 8 -12.443 -3.377 3.074 73 HD12 LEU 8 HD12 LEU 8 -11.357 -2.952 1.721 74 HD13 LEU 8 HD13 LEU 8 -12.517 -4.284 1.566 75 HD21 LEU 8 HD21 LEU 8 -9.614 -4.648 1.032 76 HD22 LEU 8 HD22 LEU 8 -9.385 -6.150 1.977 77 HD23 LEU 8 HD23 LEU 8 -10.833 -5.920 1.013 78 H THR 9 H THR 9 -8.648 -7.369 4.017 79 HA THR 9 HA THR 9 -10.947 -8.262 5.599 80 HB THR 9 HB THR 9 -10.456 -10.415 4.370 81 HG1 THR 9 HG1 THR 9 -9.153 -10.385 2.661 82 HG21 THR 9 HG21 THR 9 -11.004 -7.955 2.651 83 HG22 THR 9 HG22 THR 9 -11.379 -9.636 2.232 84 HG23 THR 9 HG23 THR 9 -12.195 -8.868 3.599 85 H GLY 10 H GLY 10 -7.552 -7.907 6.015 86 HA2 GLY 10 HA2 GLY 10 -6.542 -8.412 8.079 87 HA3 GLY 10 HA3 GLY 10 -7.642 -9.767 8.321 88 H LYS 11 H LYS 11 -6.416 -9.759 5.093 89 HA LYS 11 HA LYS 11 -4.759 -12.089 5.728 90 HB2 LYS 11 HB2 LYS 11 -6.124 -11.086 3.420 91 HB3 LYS 11 HB3 LYS 11 -4.429 -11.001 3.000 92 HG2 LYS 11 HG2 LYS 11 -5.841 -13.475 4.069 93 HG3 LYS 11 HG3 LYS 11 -5.725 -13.100 2.364 94 HD2 LYS 11 HD2 LYS 11 -3.334 -13.615 4.179 95 HD3 LYS 11 HD3 LYS 11 -4.091 -14.810 3.139 96 HE2 LYS 11 HE2 LYS 11 -2.687 -12.277 2.192 97 HE3 LYS 11 HE3 LYS 11 -2.031 -13.917 2.148 98 HZ1 LYS 11 HZ1 LYS 11 -4.268 -12.833 0.579 99 HZ2 LYS 11 HZ2 LYS 11 -2.857 -13.448 0.020 100 HZ3 LYS 11 HZ3 LYS 11 -3.981 -14.455 0.668 101 H THR 12 H THR 12 -2.409 -12.046 4.970 102 HA THR 12 HA THR 12 -1.152 -9.354 5.357 103 HB THR 12 HB THR 12 -0.516 -12.158 6.321 104 HG1 THR 12 HG1 THR 12 -1.810 -11.364 7.739 105 HG21 THR 12 HG21 THR 12 1.445 -11.177 7.514 106 HG22 THR 12 HG22 THR 12 1.640 -11.250 5.759 107 HG23 THR 12 HG23 THR 12 1.265 -9.714 6.547 108 H ILE 13 H ILE 13 0.150 -8.770 3.751 109 HA ILE 13 HA ILE 13 0.904 -10.643 1.588 110 HB ILE 13 HB ILE 13 0.535 -7.636 1.417 111 HG12 ILE 13 HG12 ILE 13 -1.665 -8.482 2.033 112 HG13 ILE 13 HG13 ILE 13 -1.639 -7.887 0.406 113 HG21 ILE 13 HG21 ILE 13 1.865 -8.463 -0.409 114 HG22 ILE 13 HG22 ILE 13 0.729 -9.782 -0.726 115 HG23 ILE 13 HG23 ILE 13 0.262 -8.102 -1.043 116 HD11 ILE 13 HD11 ILE 13 -2.931 -9.948 0.574 117 HD12 ILE 13 HD12 ILE 13 -1.528 -10.249 -0.457 118 HD13 ILE 13 HD13 ILE 13 -1.539 -10.835 1.215 119 H THR 14 H THR 14 2.990 -10.243 0.706 120 HA THR 14 HA THR 14 4.925 -8.569 2.184 121 HB THR 14 HB THR 14 5.430 -11.405 1.202 122 HG1 THR 14 HG1 THR 14 4.011 -11.595 2.859 123 HG21 THR 14 HG21 THR 14 6.989 -9.547 3.053 124 HG22 THR 14 HG22 THR 14 7.423 -11.234 2.683 125 HG23 THR 14 HG23 THR 14 7.446 -10.014 1.400 126 H LEU 15 H LEU 15 6.169 -7.357 0.631 127 HA LEU 15 HA LEU 15 6.158 -8.227 -2.212 128 HB2 LEU 15 HB2 LEU 15 5.336 -5.487 -1.141 129 HB3 LEU 15 HB3 LEU 15 5.782 -5.792 -2.820 130 HG LEU 15 HG LEU 15 3.396 -7.049 -1.398 131 HD11 LEU 15 HD11 LEU 15 2.158 -5.544 -3.028 132 HD12 LEU 15 HD12 LEU 15 3.006 -4.711 -1.709 133 HD13 LEU 15 HD13 LEU 15 3.700 -4.729 -3.336 134 HD21 LEU 15 HD21 LEU 15 4.412 -7.254 -4.262 135 HD22 LEU 15 HD22 LEU 15 4.135 -8.574 -3.134 136 HD23 LEU 15 HD23 LEU 15 2.755 -7.685 -3.781 137 H GLU 16 H GLU 16 7.908 -7.369 -3.431 138 HA GLU 16 HA GLU 16 10.182 -6.384 -1.809 139 HB2 GLU 16 HB2 GLU 16 10.416 -8.550 -2.987 140 HB3 GLU 16 HB3 GLU 16 10.163 -7.731 -4.536 141 HG2 GLU 16 HG2 GLU 16 12.207 -6.438 -4.252 142 HG3 GLU 16 HG3 GLU 16 12.364 -6.952 -2.561 143 H VAL 17 H VAL 17 10.562 -4.263 -1.992 144 HA VAL 17 HA VAL 17 9.831 -2.798 -4.481 145 HB VAL 17 HB VAL 17 8.903 -0.998 -3.109 146 HG11 VAL 17 HG11 VAL 17 7.375 -2.754 -3.954 147 HG12 VAL 17 HG12 VAL 17 7.538 -3.640 -2.421 148 HG13 VAL 17 HG13 VAL 17 6.810 -2.027 -2.447 149 HG21 VAL 17 HG21 VAL 17 10.151 -1.326 -1.011 150 HG22 VAL 17 HG22 VAL 17 8.409 -1.322 -0.718 151 HG23 VAL 17 HG23 VAL 17 9.298 -2.856 -0.718 152 H GLU 18 H GLU 18 10.722 -0.303 -3.790 153 HA GLU 18 HA GLU 18 13.436 -0.485 -2.750 154 HB2 GLU 18 HB2 GLU 18 14.353 0.649 -4.747 155 HB3 GLU 18 HB3 GLU 18 13.720 -0.945 -5.160 156 HG2 GLU 18 HG2 GLU 18 11.675 0.066 -6.077 157 HG3 GLU 18 HG3 GLU 18 12.223 1.674 -5.584 158 HA PRO 19 HA PRO 19 12.171 3.408 -1.097 159 HB2 PRO 19 HB2 PRO 19 14.678 4.688 -2.193 160 HB3 PRO 19 HB3 PRO 19 14.007 4.779 -0.540 161 HG2 PRO 19 HG2 PRO 19 16.057 3.135 -1.016 162 HG3 PRO 19 HG3 PRO 19 14.675 2.504 -0.083 163 HD2 PRO 19 HD2 PRO 19 15.208 2.164 -3.065 164 HD3 PRO 19 HD3 PRO 19 14.826 0.905 -1.847 165 H SER 20 H SER 20 12.974 3.262 -4.548 166 HA SER 20 HA SER 20 11.431 5.761 -5.004 167 HB2 SER 20 HB2 SER 20 13.565 4.428 -6.692 168 HB3 SER 20 HB3 SER 20 12.736 5.960 -7.044 169 HG SER 20 HG SER 20 13.601 6.852 -5.209 170 H ASP 21 H ASP 21 10.253 3.014 -4.515 171 HA ASP 21 HA ASP 21 9.156 2.370 -7.196 172 HB2 ASP 21 HB2 ASP 21 9.692 0.622 -5.349 173 HB3 ASP 21 HB3 ASP 21 8.317 1.260 -4.477 174 H THR 22 H THR 22 7.171 3.380 -7.826 175 HA THR 22 HA THR 22 6.208 5.583 -6.183 176 HB THR 22 HB THR 22 4.451 5.655 -8.031 177 HG1 THR 22 HG1 THR 22 5.146 4.431 -9.913 178 HG21 THR 22 HG21 THR 22 7.379 5.733 -8.891 179 HG22 THR 22 HG22 THR 22 6.018 6.489 -9.744 180 HG23 THR 22 HG23 THR 22 6.463 7.059 -8.133 181 H ILE 23 H ILE 23 4.031 5.779 -5.336 182 HA ILE 23 HA ILE 23 3.159 3.420 -3.944 183 HB ILE 23 HB ILE 23 1.720 6.034 -4.507 184 HG12 ILE 23 HG12 ILE 23 3.625 6.460 -3.145 185 HG13 ILE 23 HG13 ILE 23 2.208 6.479 -2.096 186 HG21 ILE 23 HG21 ILE 23 -0.035 4.474 -4.032 187 HG22 ILE 23 HG22 ILE 23 0.861 3.767 -2.679 188 HG23 ILE 23 HG23 ILE 23 0.217 5.424 -2.569 189 HD11 ILE 23 HD11 ILE 23 4.317 4.295 -2.273 190 HD12 ILE 23 HD12 ILE 23 3.997 5.393 -0.926 191 HD13 ILE 23 HD13 ILE 23 2.805 4.146 -1.339 192 H GLU 24 H GLU 24 2.442 4.726 -7.081 193 HA GLU 24 HA GLU 24 0.109 3.362 -7.800 194 HB2 GLU 24 HB2 GLU 24 1.019 5.184 -9.013 195 HB3 GLU 24 HB3 GLU 24 2.583 4.404 -9.226 196 HG2 GLU 24 HG2 GLU 24 1.638 2.832 -10.842 197 HG3 GLU 24 HG3 GLU 24 0.028 3.549 -10.634 198 H ASN 25 H ASN 25 3.557 2.394 -8.119 199 HA ASN 25 HA ASN 25 3.050 -0.203 -9.202 200 HB2 ASN 25 HB2 ASN 25 5.449 1.166 -7.951 201 HB3 ASN 25 HB3 ASN 25 5.456 -0.575 -8.196 202 HD21 ASN 25 HD21 ASN 25 6.229 1.671 -11.399 203 HD22 ASN 25 HD22 ASN 25 6.168 2.344 -9.780 204 H VAL 26 H VAL 26 3.862 0.867 -5.858 205 HA VAL 26 HA VAL 26 3.734 -1.637 -4.594 206 HB VAL 26 HB VAL 26 2.866 1.087 -3.535 207 HG11 VAL 26 HG11 VAL 26 2.028 -0.603 -2.008 208 HG12 VAL 26 HG12 VAL 26 3.572 -1.474 -2.053 209 HG13 VAL 26 HG13 VAL 26 3.460 0.126 -1.281 210 HG21 VAL 26 HG21 VAL 26 5.248 0.993 -4.371 211 HG22 VAL 26 HG22 VAL 26 5.087 1.310 -2.653 212 HG23 VAL 26 HG23 VAL 26 5.553 -0.311 -3.236 213 H LYS 27 H LYS 27 1.064 0.639 -5.281 214 HA LYS 27 HA LYS 27 -0.937 -1.022 -4.050 215 HB2 LYS 27 HB2 LYS 27 -0.797 1.546 -4.341 216 HB3 LYS 27 HB3 LYS 27 -1.426 1.258 -5.974 217 HG2 LYS 27 HG2 LYS 27 -3.422 0.181 -4.894 218 HG3 LYS 27 HG3 LYS 27 -2.702 0.451 -3.302 219 HD2 LYS 27 HD2 LYS 27 -4.377 2.156 -3.756 220 HD3 LYS 27 HD3 LYS 27 -2.775 2.919 -3.704 221 HE2 LYS 27 HE2 LYS 27 -2.656 3.071 -6.107 222 HE3 LYS 27 HE3 LYS 27 -3.974 1.914 -6.308 223 HZ1 LYS 27 HZ1 LYS 27 -4.730 4.028 -6.788 224 HZ2 LYS 27 HZ2 LYS 27 -5.499 3.532 -5.436 225 HZ3 LYS 27 HZ3 LYS 27 -4.312 4.671 -5.306 226 H ALA 28 H ALA 28 0.625 -1.243 -7.097 227 HA ALA 28 HA ALA 28 -1.617 -2.565 -8.504 228 HB1 ALA 28 HB1 ALA 28 1.282 -2.112 -9.374 229 HB2 ALA 28 HB2 ALA 28 -0.093 -2.570 -10.385 230 HB3 ALA 28 HB3 ALA 28 -0.046 -0.970 -9.657 231 H LYS 29 H LYS 29 1.669 -3.224 -7.259 232 HA LYS 29 HA LYS 29 1.913 -5.934 -7.742 233 HB2 LYS 29 HB2 LYS 29 2.818 -4.213 -5.413 234 HB3 LYS 29 HB3 LYS 29 3.302 -5.901 -5.572 235 HG2 LYS 29 HG2 LYS 29 4.618 -5.518 -7.484 236 HG3 LYS 29 HG3 LYS 29 3.878 -3.941 -7.808 237 HD2 LYS 29 HD2 LYS 29 4.873 -2.978 -5.821 238 HD3 LYS 29 HD3 LYS 29 5.537 -4.528 -5.306 239 HE2 LYS 29 HE2 LYS 29 6.315 -3.253 -7.959 240 HE3 LYS 29 HE3 LYS 29 7.049 -2.727 -6.443 241 HZ1 LYS 29 HZ1 LYS 29 7.777 -5.029 -6.061 242 HZ2 LYS 29 HZ2 LYS 29 7.198 -5.467 -7.555 243 HZ3 LYS 29 HZ3 LYS 29 8.391 -4.381 -7.425 244 H ILE 30 H ILE 30 0.109 -4.406 -5.034 245 HA ILE 30 HA ILE 30 -0.488 -6.886 -3.721 246 HB ILE 30 HB ILE 30 -2.272 -5.625 -2.544 247 HG12 ILE 30 HG12 ILE 30 -1.305 -3.247 -4.149 248 HG13 ILE 30 HG13 ILE 30 -2.849 -4.062 -4.419 249 HG21 ILE 30 HG21 ILE 30 -0.771 -4.322 -1.208 250 HG22 ILE 30 HG22 ILE 30 0.113 -5.730 -1.784 251 HG23 ILE 30 HG23 ILE 30 0.377 -4.143 -2.548 252 HD11 ILE 30 HD11 ILE 30 -3.563 -3.463 -2.124 253 HD12 ILE 30 HD12 ILE 30 -2.033 -2.571 -1.895 254 HD13 ILE 30 HD13 ILE 30 -3.193 -2.042 -3.115 255 H GLN 31 H GLN 31 -2.020 -5.418 -6.612 256 HA GLN 31 HA GLN 31 -4.458 -6.968 -6.353 257 HB2 GLN 31 HB2 GLN 31 -3.329 -5.788 -8.918 258 HB3 GLN 31 HB3 GLN 31 -5.012 -6.118 -8.487 259 HG2 GLN 31 HG2 GLN 31 -4.653 -4.381 -6.583 260 HG3 GLN 31 HG3 GLN 31 -3.187 -3.927 -7.441 261 HE21 GLN 31 HE21 GLN 31 -6.103 -1.776 -8.486 262 HE22 GLN 31 HE22 GLN 31 -5.611 -2.382 -6.899 263 H ASP 32 H ASP 32 -1.233 -7.507 -7.476 264 HA ASP 32 HA ASP 32 -1.852 -9.887 -9.102 265 HB2 ASP 32 HB2 ASP 32 -0.102 -8.596 -9.937 266 HB3 ASP 32 HB3 ASP 32 0.630 -8.353 -8.361 267 H LYS 33 H LYS 33 -1.175 -9.077 -5.778 268 HA LYS 33 HA LYS 33 -0.639 -11.904 -5.042 269 HB2 LYS 33 HB2 LYS 33 -0.290 -9.254 -3.612 270 HB3 LYS 33 HB3 LYS 33 -0.252 -10.772 -2.730 271 HG2 LYS 33 HG2 LYS 33 1.628 -10.080 -5.028 272 HG3 LYS 33 HG3 LYS 33 1.989 -9.945 -3.299 273 HD2 LYS 33 HD2 LYS 33 1.428 -12.433 -3.108 274 HD3 LYS 33 HD3 LYS 33 1.477 -12.488 -4.880 275 HE2 LYS 33 HE2 LYS 33 3.820 -11.687 -4.854 276 HE3 LYS 33 HE3 LYS 33 3.759 -11.563 -3.084 277 HZ1 LYS 33 HZ1 LYS 33 3.218 -14.003 -3.110 278 HZ2 LYS 33 HZ2 LYS 33 3.608 -13.997 -4.721 279 HZ3 LYS 33 HZ3 LYS 33 4.744 -13.646 -3.613 280 H GLU 34 H GLU 34 -3.461 -9.800 -5.072 281 HA GLU 34 HA GLU 34 -4.945 -11.851 -3.637 282 HB2 GLU 34 HB2 GLU 34 -4.016 -10.158 -1.899 283 HB3 GLU 34 HB3 GLU 34 -5.004 -8.954 -2.694 284 HG2 GLU 34 HG2 GLU 34 -6.393 -9.511 -0.982 285 HG3 GLU 34 HG3 GLU 34 -6.983 -10.677 -2.151 286 H GLY 35 H GLY 35 -7.374 -11.412 -4.052 287 HA2 GLY 35 HA2 GLY 35 -7.788 -10.303 -6.689 288 HA3 GLY 35 HA3 GLY 35 -8.950 -11.096 -5.626 289 H ILE 36 H ILE 36 -7.057 -8.036 -5.868 290 HA ILE 36 HA ILE 36 -9.465 -6.576 -4.918 291 HB ILE 36 HB ILE 36 -8.009 -5.059 -3.627 292 HG12 ILE 36 HG12 ILE 36 -5.886 -7.222 -4.003 293 HG13 ILE 36 HG13 ILE 36 -5.771 -5.540 -4.492 294 HG21 ILE 36 HG21 ILE 36 -8.020 -7.944 -2.643 295 HG22 ILE 36 HG22 ILE 36 -8.126 -6.463 -1.663 296 HG23 ILE 36 HG23 ILE 36 -9.457 -6.906 -2.715 297 HD11 ILE 36 HD11 ILE 36 -5.811 -6.582 -1.644 298 HD12 ILE 36 HD12 ILE 36 -4.480 -5.824 -2.515 299 HD13 ILE 36 HD13 ILE 36 -5.904 -4.854 -2.088 300 HA PRO 37 HA PRO 37 -8.295 -4.485 -8.767 301 HB2 PRO 37 HB2 PRO 37 -10.733 -3.398 -9.371 302 HB3 PRO 37 HB3 PRO 37 -10.454 -5.161 -9.482 303 HG2 PRO 37 HG2 PRO 37 -11.681 -3.607 -7.180 304 HG3 PRO 37 HG3 PRO 37 -12.342 -5.051 -8.014 305 HD2 PRO 37 HD2 PRO 37 -10.890 -5.216 -5.701 306 HD3 PRO 37 HD3 PRO 37 -10.791 -6.473 -6.975 307 HA PRO 38 HA PRO 38 -7.746 -0.357 -7.084 308 HB2 PRO 38 HB2 PRO 38 -7.550 1.296 -9.243 309 HB3 PRO 38 HB3 PRO 38 -6.389 -0.029 -9.003 310 HG2 PRO 38 HG2 PRO 38 -8.862 -0.024 -10.764 311 HG3 PRO 38 HG3 PRO 38 -7.201 -0.545 -11.187 312 HD2 PRO 38 HD2 PRO 38 -9.185 -2.287 -10.392 313 HD3 PRO 38 HD3 PRO 38 -7.460 -2.586 -10.062 314 H ASP 39 H ASP 39 -10.207 -1.104 -6.500 315 HA ASP 39 HA ASP 39 -11.847 1.306 -6.684 316 HB2 ASP 39 HB2 ASP 39 -12.606 -0.156 -8.601 317 HB3 ASP 39 HB3 ASP 39 -12.914 -1.448 -7.443 318 H GLN 40 H GLN 40 -12.803 1.569 -4.714 319 HA GLN 40 HA GLN 40 -13.137 1.374 -2.465 320 HB2 GLN 40 HB2 GLN 40 -13.599 -1.602 -2.941 321 HB3 GLN 40 HB3 GLN 40 -14.237 -0.608 -1.652 322 HG2 GLN 40 HG2 GLN 40 -15.042 -0.595 -4.580 323 HG3 GLN 40 HG3 GLN 40 -15.983 -1.163 -3.213 324 HE21 GLN 40 HE21 GLN 40 -16.251 2.737 -4.279 325 HE22 GLN 40 HE22 GLN 40 -15.278 1.593 -5.193 326 H ASN 41 H ASN 41 -10.500 1.449 -3.242 327 HA ASN 41 HA ASN 41 -9.199 -0.196 -1.181 328 HB2 ASN 41 HB2 ASN 41 -9.064 -1.423 -3.322 329 HB3 ASN 41 HB3 ASN 41 -8.520 0.022 -4.157 330 HD21 ASN 41 HD21 ASN 41 -5.756 -2.365 -3.314 331 HD22 ASN 41 HD22 ASN 41 -7.425 -2.842 -3.190 332 H ARG 42 H ARG 42 -7.343 0.850 -0.235 333 HA ARG 42 HA ARG 42 -6.195 3.262 -1.379 334 HB2 ARG 42 HB2 ARG 42 -8.185 4.334 -0.542 335 HB3 ARG 42 HB3 ARG 42 -8.092 3.471 1.004 336 HG2 ARG 42 HG2 ARG 42 -6.053 4.687 1.582 337 HG3 ARG 42 HG3 ARG 42 -6.124 5.535 0.016 338 HD2 ARG 42 HD2 ARG 42 -8.401 5.612 2.048 339 HD3 ARG 42 HD3 ARG 42 -7.040 6.721 2.147 340 HE ARG 42 HE ARG 42 -9.198 6.739 0.166 341 HH11 ARG 42 HH11 ARG 42 -5.882 7.886 0.851 342 HH12 ARG 42 HH12 ARG 42 -6.088 9.363 -0.038 343 HH21 ARG 42 HH21 ARG 42 -9.381 8.629 -1.150 344 HH22 ARG 42 HH22 ARG 42 -8.067 9.711 -1.288 345 H LEU 43 H LEU 43 -4.129 3.411 -0.602 346 HA LEU 43 HA LEU 43 -3.273 1.479 1.452 347 HB2 LEU 43 HB2 LEU 43 -2.247 1.780 -0.871 348 HB3 LEU 43 HB3 LEU 43 -1.672 3.355 -0.331 349 HG LEU 43 HG LEU 43 -0.391 2.141 1.512 350 HD11 LEU 43 HD11 LEU 43 -1.615 -0.006 1.557 351 HD12 LEU 43 HD12 LEU 43 -1.154 -0.321 -0.129 352 HD13 LEU 43 HD13 LEU 43 0.081 -0.278 1.142 353 HD21 LEU 43 HD21 LEU 43 1.394 1.395 -0.079 354 HD22 LEU 43 HD22 LEU 43 0.220 1.467 -1.406 355 HD23 LEU 43 HD23 LEU 43 0.686 2.945 -0.538 356 H ILE 44 H ILE 44 -2.355 2.056 3.453 357 HA ILE 44 HA ILE 44 -1.997 4.944 4.173 358 HB ILE 44 HB ILE 44 -3.230 2.790 5.922 359 HG12 ILE 44 HG12 ILE 44 -4.838 3.213 4.090 360 HG13 ILE 44 HG13 ILE 44 -5.420 3.588 5.688 361 HG21 ILE 44 HG21 ILE 44 -3.963 4.701 7.348 362 HG22 ILE 44 HG22 ILE 44 -2.213 4.542 7.235 363 HG23 ILE 44 HG23 ILE 44 -3.046 5.801 6.301 364 HD11 ILE 44 HD11 ILE 44 -6.106 5.256 3.978 365 HD12 ILE 44 HD12 ILE 44 -5.216 5.963 5.327 366 HD13 ILE 44 HD13 ILE 44 -4.404 5.705 3.764 367 H PHE 45 H PHE 45 -0.228 5.279 5.630 368 HA PHE 45 HA PHE 45 1.236 2.909 6.665 369 HB2 PHE 45 HB2 PHE 45 2.453 3.398 4.661 370 HB3 PHE 45 HB3 PHE 45 2.382 5.131 4.970 371 HD1 PHE 45 HD1 PHE 45 3.545 2.062 6.914 372 HD2 PHE 45 HD2 PHE 45 4.415 6.076 5.563 373 HE1 PHE 45 HE1 PHE 45 5.676 2.039 8.168 374 HE2 PHE 45 HE2 PHE 45 6.556 6.028 6.818 375 HZ PHE 45 HZ PHE 45 7.185 4.013 8.125 376 H ALA 46 H ALA 46 1.402 3.213 8.825 377 HA ALA 46 HA ALA 46 1.414 4.207 10.878 378 HB1 ALA 46 HB1 ALA 46 3.714 4.702 10.108 379 HB2 ALA 46 HB2 ALA 46 3.159 6.322 9.636 380 HB3 ALA 46 HB3 ALA 46 3.079 5.826 11.328 381 H GLY 47 H GLY 47 -0.851 4.753 9.305 382 HA2 GLY 47 HA2 GLY 47 -2.812 5.914 9.614 383 HA3 GLY 47 HA3 GLY 47 -1.977 7.025 10.701 384 H LYS 48 H LYS 48 0.044 7.294 8.158 385 HA LYS 48 HA LYS 48 -1.308 9.689 7.173 386 HB2 LYS 48 HB2 LYS 48 1.067 9.826 7.657 387 HB3 LYS 48 HB3 LYS 48 1.426 8.524 6.506 388 HG2 LYS 48 HG2 LYS 48 1.028 9.816 4.645 389 HG3 LYS 48 HG3 LYS 48 -0.112 10.885 5.449 390 HD2 LYS 48 HD2 LYS 48 2.858 10.959 6.056 391 HD3 LYS 48 HD3 LYS 48 2.083 11.888 4.762 392 HE2 LYS 48 HE2 LYS 48 0.477 12.815 6.508 393 HE3 LYS 48 HE3 LYS 48 1.514 12.088 7.752 394 HZ1 LYS 48 HZ1 LYS 48 2.368 14.102 5.758 395 HZ2 LYS 48 HZ2 LYS 48 2.050 14.411 7.343 396 HZ3 LYS 48 HZ3 LYS 48 3.337 13.487 6.910 397 H GLN 49 H GLN 49 -2.338 9.855 5.310 398 HA GLN 49 HA GLN 49 -3.041 7.441 3.844 399 HB2 GLN 49 HB2 GLN 49 -3.729 10.393 3.400 400 HB3 GLN 49 HB3 GLN 49 -4.429 9.055 2.533 401 HG2 GLN 49 HG2 GLN 49 -6.051 9.105 4.095 402 HG3 GLN 49 HG3 GLN 49 -4.931 8.168 5.046 403 HE21 GLN 49 HE21 GLN 49 -5.596 10.572 7.582 404 HE22 GLN 49 HE22 GLN 49 -5.724 8.894 7.096 405 H LEU 50 H LEU 50 -2.206 6.786 1.920 406 HA LEU 50 HA LEU 50 -0.049 8.418 0.659 407 HB2 LEU 50 HB2 LEU 50 -0.479 5.414 0.521 408 HB3 LEU 50 HB3 LEU 50 0.889 6.330 -0.104 409 HG LEU 50 HG LEU 50 0.214 5.827 2.835 410 HD11 LEU 50 HD11 LEU 50 2.433 4.853 0.981 411 HD12 LEU 50 HD12 LEU 50 2.369 4.546 2.713 412 HD13 LEU 50 HD13 LEU 50 1.109 3.892 1.663 413 HD21 LEU 50 HD21 LEU 50 1.266 8.064 2.604 414 HD22 LEU 50 HD22 LEU 50 2.384 6.916 3.342 415 HD23 LEU 50 HD23 LEU 50 2.562 7.343 1.629 416 H GLU 51 H GLU 51 -0.059 8.529 -1.642 417 HA GLU 51 HA GLU 51 -2.109 7.191 -3.159 418 HB2 GLU 51 HB2 GLU 51 -3.132 9.164 -4.056 419 HB3 GLU 51 HB3 GLU 51 -3.358 9.108 -2.316 420 HG2 GLU 51 HG2 GLU 51 -1.284 10.692 -2.236 421 HG3 GLU 51 HG3 GLU 51 -1.625 10.970 -3.948 422 H ASP 52 H ASP 52 -1.818 8.144 -5.550 423 HA ASP 52 HA ASP 52 0.810 7.410 -6.285 424 HB2 ASP 52 HB2 ASP 52 -0.045 7.288 -8.441 425 HB3 ASP 52 HB3 ASP 52 -1.445 6.909 -7.452 426 H GLY 53 H GLY 53 2.065 8.584 -7.866 427 HA2 GLY 53 HA2 GLY 53 2.904 10.537 -8.822 428 HA3 GLY 53 HA3 GLY 53 2.104 11.531 -7.589 429 H ARG 54 H ARG 54 3.074 9.497 -5.478 430 HA ARG 54 HA ARG 54 5.881 10.531 -5.258 431 HB2 ARG 54 HB2 ARG 54 3.722 10.069 -3.224 432 HB3 ARG 54 HB3 ARG 54 5.418 9.998 -2.727 433 HG2 ARG 54 HG2 ARG 54 5.684 12.336 -3.696 434 HG3 ARG 54 HG3 ARG 54 3.914 12.358 -3.904 435 HD2 ARG 54 HD2 ARG 54 4.010 11.533 -1.345 436 HD3 ARG 54 HD3 ARG 54 5.586 12.315 -1.374 437 HE ARG 54 HE ARG 54 3.675 14.097 -2.465 438 HH11 ARG 54 HH11 ARG 54 4.467 12.625 0.691 439 HH12 ARG 54 HH12 ARG 54 4.118 14.077 1.557 440 HH21 ARG 54 HH21 ARG 54 3.125 15.860 -1.331 441 HH22 ARG 54 HH22 ARG 54 3.223 15.935 0.432 442 H THR 55 H THR 55 7.332 9.212 -3.873 443 HA THR 55 HA THR 55 7.035 6.311 -4.403 444 HB THR 55 HB THR 55 9.431 6.214 -4.565 445 HG1 THR 55 HG1 THR 55 9.414 9.034 -4.078 446 HG21 THR 55 HG21 THR 55 9.889 7.439 -6.636 447 HG22 THR 55 HG22 THR 55 8.318 6.645 -6.670 448 HG23 THR 55 HG23 THR 55 8.419 8.406 -6.422 449 H LEU 56 H LEU 56 8.451 5.008 -2.818 450 HA LEU 56 HA LEU 56 7.496 5.323 -0.186 451 HB2 LEU 56 HB2 LEU 56 9.852 3.801 -1.349 452 HB3 LEU 56 HB3 LEU 56 9.697 3.969 0.391 453 HG LEU 56 HG LEU 56 7.296 3.058 0.147 454 HD11 LEU 56 HD11 LEU 56 8.491 2.314 -2.547 455 HD12 LEU 56 HD12 LEU 56 7.149 1.429 -1.833 456 HD13 LEU 56 HD13 LEU 56 6.959 3.149 -2.248 457 HD21 LEU 56 HD21 LEU 56 9.649 1.236 -0.446 458 HD22 LEU 56 HD22 LEU 56 9.162 1.830 1.170 459 HD23 LEU 56 HD23 LEU 56 8.088 0.762 0.267 460 H SER 57 H SER 57 10.545 6.467 -1.597 461 HA SER 57 HA SER 57 11.827 7.405 0.710 462 HB2 SER 57 HB2 SER 57 12.904 7.083 -1.480 463 HB3 SER 57 HB3 SER 57 11.879 8.342 -2.190 464 HG SER 57 HG SER 57 13.915 9.110 -1.742 465 H ASP 58 H ASP 58 9.561 9.143 -1.520 466 HA ASP 58 HA ASP 58 9.825 11.680 -0.301 467 HB2 ASP 58 HB2 ASP 58 7.357 10.512 -1.641 468 HB3 ASP 58 HB3 ASP 58 7.666 12.220 -1.286 469 H TYR 59 H TYR 59 7.548 9.019 0.371 470 HA TYR 59 HA TYR 59 6.331 10.442 2.618 471 HB2 TYR 59 HB2 TYR 59 6.069 7.636 1.514 472 HB3 TYR 59 HB3 TYR 59 5.158 8.202 2.909 473 HD1 TYR 59 HD1 TYR 59 3.715 10.400 2.543 474 HD2 TYR 59 HD2 TYR 59 5.097 7.769 -0.589 475 HE1 TYR 59 HE1 TYR 59 1.767 11.043 1.146 476 HE2 TYR 59 HE2 TYR 59 3.146 8.399 -1.965 477 HH TYR 59 HH TYR 59 1.368 10.022 -2.213 478 H ASN 60 H ASN 60 9.305 9.035 2.381 479 HA ASN 60 HA ASN 60 10.865 8.188 3.733 480 HB2 ASN 60 HB2 ASN 60 10.590 10.282 4.832 481 HB3 ASN 60 HB3 ASN 60 9.189 9.711 5.732 482 HD21 ASN 60 HD21 ASN 60 11.257 9.115 8.488 483 HD22 ASN 60 HD22 ASN 60 9.752 9.733 7.811 484 H ILE 61 H ILE 61 9.064 6.336 2.934 485 HA ILE 61 HA ILE 61 8.229 4.667 5.198 486 HB ILE 61 HB ILE 61 8.189 4.097 2.201 487 HG12 ILE 61 HG12 ILE 61 6.077 5.285 4.026 488 HG13 ILE 61 HG13 ILE 61 6.899 6.088 2.717 489 HG21 ILE 61 HG21 ILE 61 6.648 2.757 4.476 490 HG22 ILE 61 HG22 ILE 61 6.556 2.342 2.751 491 HG23 ILE 61 HG23 ILE 61 8.046 2.052 3.631 492 HD11 ILE 61 HD11 ILE 61 4.876 3.851 2.425 493 HD12 ILE 61 HD12 ILE 61 4.672 5.560 2.017 494 HD13 ILE 61 HD13 ILE 61 5.802 4.569 1.083 495 H GLN 62 H GLN 62 9.580 3.224 6.144 496 HA GLN 62 HA GLN 62 12.187 2.666 4.855 497 HB2 GLN 62 HB2 GLN 62 11.240 2.175 7.718 498 HB3 GLN 62 HB3 GLN 62 12.863 1.868 7.096 499 HG2 GLN 62 HG2 GLN 62 11.501 4.552 7.460 500 HG3 GLN 62 HG3 GLN 62 12.979 3.966 8.220 501 HE21 GLN 62 HE21 GLN 62 13.280 6.046 4.802 502 HE22 GLN 62 HE22 GLN 62 11.958 6.144 5.951 503 H LYS 63 H LYS 63 13.113 0.471 5.376 504 HA LYS 63 HA LYS 63 11.540 -1.450 3.931 505 HB2 LYS 63 HB2 LYS 63 13.430 -2.889 4.118 506 HB3 LYS 63 HB3 LYS 63 14.027 -1.266 3.808 507 HG2 LYS 63 HG2 LYS 63 14.566 -1.020 6.244 508 HG3 LYS 63 HG3 LYS 63 14.013 -2.684 6.514 509 HD2 LYS 63 HD2 LYS 63 15.716 -3.431 4.768 510 HD3 LYS 63 HD3 LYS 63 16.304 -1.757 4.750 511 HE2 LYS 63 HE2 LYS 63 16.609 -1.981 7.277 512 HE3 LYS 63 HE3 LYS 63 16.306 -3.715 7.083 513 HZ1 LYS 63 HZ1 LYS 63 18.455 -2.200 5.722 514 HZ2 LYS 63 HZ2 LYS 63 18.685 -3.045 7.071 515 HZ3 LYS 63 HZ3 LYS 63 18.282 -3.849 5.697 516 H GLU 64 H GLU 64 10.972 -3.582 4.658 517 HA GLU 64 HA GLU 64 9.628 -4.851 5.844 518 HB2 GLU 64 HB2 GLU 64 11.846 -4.309 7.841 519 HB3 GLU 64 HB3 GLU 64 10.567 -5.486 8.098 520 HG2 GLU 64 HG2 GLU 64 12.327 -6.741 7.212 521 HG3 GLU 64 HG3 GLU 64 11.163 -6.590 5.908 522 H SER 65 H SER 65 8.546 -2.297 5.631 523 HA SER 65 HA SER 65 7.396 -1.587 8.239 524 HB2 SER 65 HB2 SER 65 6.260 0.177 6.744 525 HB3 SER 65 HB3 SER 65 8.004 0.319 7.024 526 HG SER 65 HG SER 65 8.391 -0.018 5.009 527 H THR 66 H THR 66 4.884 -1.366 8.286 528 HA THR 66 HA THR 66 3.607 -3.439 6.578 529 HB THR 66 HB THR 66 2.931 -3.062 9.497 530 HG1 THR 66 HG1 THR 66 3.895 -5.164 9.664 531 HG21 THR 66 HG21 THR 66 2.245 -5.208 7.425 532 HG22 THR 66 HG22 THR 66 1.641 -5.121 9.088 533 HG23 THR 66 HG23 THR 66 1.155 -3.902 7.906 534 H LEU 67 H LEU 67 2.280 -2.463 5.301 535 HA LEU 67 HA LEU 67 1.056 0.134 6.071 536 HB2 LEU 67 HB2 LEU 67 1.362 -1.310 3.402 537 HB3 LEU 67 HB3 LEU 67 0.485 0.196 3.645 538 HG LEU 67 HG LEU 67 2.675 1.158 4.619 539 HD11 LEU 67 HD11 LEU 67 4.766 0.152 3.555 540 HD12 LEU 67 HD12 LEU 67 4.131 -0.748 4.912 541 HD13 LEU 67 HD13 LEU 67 3.819 -1.321 3.261 542 HD21 LEU 67 HD21 LEU 67 3.490 1.742 2.380 543 HD22 LEU 67 HD22 LEU 67 2.584 0.391 1.678 544 HD23 LEU 67 HD23 LEU 67 1.727 1.762 2.431 545 H HIS 68 H HIS 68 -1.222 0.449 5.494 546 HA HIS 68 HA HIS 68 -2.907 -1.998 5.954 547 HB2 HIS 68 HB2 HIS 68 -3.085 0.826 7.024 548 HB3 HIS 68 HB3 HIS 68 -4.556 -0.088 6.762 549 HD1 HIS 68 HD1 HIS 68 -1.488 -0.098 9.102 550 HD2 HIS 68 HD2 HIS 68 -5.185 -2.041 8.435 551 HE1 HIS 68 HE1 HIS 68 -1.986 -1.384 11.178 552 H LEU 69 H LEU 69 -4.974 -2.019 4.949 553 HA LEU 69 HA LEU 69 -5.280 -0.338 2.538 554 HB2 LEU 69 HB2 LEU 69 -5.458 -3.311 2.972 555 HB3 LEU 69 HB3 LEU 69 -6.384 -2.594 1.688 556 HG LEU 69 HG LEU 69 -3.380 -2.159 1.997 557 HD11 LEU 69 HD11 LEU 69 -4.769 -4.213 0.236 558 HD12 LEU 69 HD12 LEU 69 -3.046 -3.828 0.210 559 HD13 LEU 69 HD13 LEU 69 -3.750 -4.550 1.653 560 HD21 LEU 69 HD21 LEU 69 -5.070 -1.840 -0.516 561 HD22 LEU 69 HD22 LEU 69 -4.613 -0.493 0.538 562 HD23 LEU 69 HD23 LEU 69 -3.369 -1.416 -0.286 563 H VAL 70 H VAL 70 -7.162 0.776 2.488 564 HA VAL 70 HA VAL 70 -9.490 -0.149 4.075 565 HB VAL 70 HB VAL 70 -9.728 2.059 5.106 566 HG11 VAL 70 HG11 VAL 70 -6.901 1.114 5.693 567 HG12 VAL 70 HG12 VAL 70 -7.975 2.057 6.739 568 HG13 VAL 70 HG13 VAL 70 -8.378 0.384 6.357 569 HG21 VAL 70 HG21 VAL 70 -7.104 2.809 3.764 570 HG22 VAL 70 HG22 VAL 70 -8.696 3.513 3.442 571 HG23 VAL 70 HG23 VAL 70 -7.938 3.767 5.012 572 H LEU 71 H LEU 71 -11.420 1.397 3.717 573 HA LEU 71 HA LEU 71 -11.466 2.780 1.143 574 HB2 LEU 71 HB2 LEU 71 -13.249 1.633 0.171 575 HB3 LEU 71 HB3 LEU 71 -12.123 0.388 0.640 576 HG LEU 71 HG LEU 71 -14.067 0.881 2.806 577 HD11 LEU 71 HD11 LEU 71 -15.528 1.587 0.884 578 HD12 LEU 71 HD12 LEU 71 -15.285 -0.017 0.172 579 HD13 LEU 71 HD13 LEU 71 -16.074 0.145 1.740 580 HD21 LEU 71 HD21 LEU 71 -13.475 -1.559 1.113 581 HD22 LEU 71 HD22 LEU 71 -12.692 -1.098 2.649 582 HD23 LEU 71 HD23 LEU 71 -14.411 -1.525 2.622 583 H ARG 72 H ARG 72 -14.210 3.437 1.072 584 HA ARG 72 HA ARG 72 -15.081 4.166 3.730 585 HB2 ARG 72 HB2 ARG 72 -13.385 6.035 2.557 586 HB3 ARG 72 HB3 ARG 72 -14.938 6.540 1.896 587 HG2 ARG 72 HG2 ARG 72 -14.571 7.778 3.929 588 HG3 ARG 72 HG3 ARG 72 -15.837 6.592 4.264 589 HD2 ARG 72 HD2 ARG 72 -13.853 5.099 5.123 590 HD3 ARG 72 HD3 ARG 72 -12.926 6.594 5.158 591 HE ARG 72 HE ARG 72 -15.107 7.322 6.551 592 HH11 ARG 72 HH11 ARG 72 -12.925 4.519 6.949 593 HH12 ARG 72 HH12 ARG 72 -13.712 3.973 8.383 594 HH21 ARG 72 HH21 ARG 72 -15.772 6.852 8.656 595 HH22 ARG 72 HH22 ARG 72 -15.181 5.430 9.502 596 H LEU 73 H LEU 73 -17.301 3.961 3.682 597 HA LEU 73 HA LEU 73 -18.724 4.325 1.112 598 HB2 LEU 73 HB2 LEU 73 -17.918 1.724 2.207 599 HB3 LEU 73 HB3 LEU 73 -19.658 1.847 2.294 600 HG LEU 73 HG LEU 73 -18.021 2.262 -0.240 601 HD11 LEU 73 HD11 LEU 73 -18.869 0.076 -0.910 602 HD12 LEU 73 HD12 LEU 73 -18.005 -0.098 0.610 603 HD13 LEU 73 HD13 LEU 73 -19.776 -0.092 0.614 604 HD21 LEU 73 HD21 LEU 73 -21.033 2.130 0.256 605 HD22 LEU 73 HD22 LEU 73 -20.093 3.485 -0.438 606 HD23 LEU 73 HD23 LEU 73 -20.294 1.993 -1.339 607 H ARG 74 H ARG 74 -20.855 4.968 1.430 608 HA ARG 74 HA ARG 74 -21.796 5.196 4.262 609 HB2 ARG 74 HB2 ARG 74 -22.616 6.634 1.710 610 HB3 ARG 74 HB3 ARG 74 -23.442 6.816 3.238 611 HG2 ARG 74 HG2 ARG 74 -20.528 7.546 2.711 612 HG3 ARG 74 HG3 ARG 74 -21.861 8.679 2.753 613 HD2 ARG 74 HD2 ARG 74 -20.927 6.974 5.109 614 HD3 ARG 74 HD3 ARG 74 -20.559 8.679 4.870 615 HE ARG 74 HE ARG 74 -23.129 7.452 5.643 616 HH11 ARG 74 HH11 ARG 74 -21.413 10.528 4.954 617 HH12 ARG 74 HH12 ARG 74 -22.835 11.476 5.212 618 HH21 ARG 74 HH21 ARG 74 -24.929 8.822 6.179 619 HH22 ARG 74 HH22 ARG 74 -24.706 10.540 6.139 620 H GLY 75 H GLY 75 -22.290 3.651 1.187 621 HA2 GLY 75 HA2 GLY 75 -24.926 2.539 1.825 622 HA3 GLY 75 HA3 GLY 75 -23.951 2.293 0.362 623 H GLY 76 H GLY 76 -22.857 1.892 3.801 624 HA2 GLY 76 HA2 GLY 76 -23.045 -0.806 4.171 625 HA3 GLY 76 HA3 GLY 76 -21.524 -0.579 3.278 Start of MODEL 9 1 H1 MET 1 H MET 1 14.961 -5.626 -1.100 2 HA MET 1 HA MET 1 14.365 -4.486 1.562 3 HB2 MET 1 HB2 MET 1 15.267 -2.692 0.307 4 HB3 MET 1 HB3 MET 1 14.301 -3.071 -1.119 5 HG2 MET 1 HG2 MET 1 12.266 -2.400 -0.003 6 HG3 MET 1 HG3 MET 1 13.064 -2.364 1.567 7 HE1 MET 1 HE1 MET 1 12.041 1.366 1.027 8 HE2 MET 1 HE2 MET 1 11.157 -0.137 0.675 9 HE3 MET 1 HE3 MET 1 12.070 0.020 2.187 10 H GLN 2 H GLN 2 12.498 -5.481 2.285 11 HA GLN 2 HA GLN 2 10.326 -5.771 0.305 12 HB2 GLN 2 HB2 GLN 2 9.568 -7.792 1.481 13 HB3 GLN 2 HB3 GLN 2 11.100 -8.002 0.639 14 HG2 GLN 2 HG2 GLN 2 12.345 -7.990 2.696 15 HG3 GLN 2 HG3 GLN 2 10.956 -7.416 3.619 16 HE21 GLN 2 HE21 GLN 2 9.640 -10.668 4.167 17 HE22 GLN 2 HE22 GLN 2 9.443 -8.921 4.357 18 H ILE 3 H ILE 3 8.176 -5.708 1.268 19 HA ILE 3 HA ILE 3 7.982 -4.283 3.857 20 HB ILE 3 HB ILE 3 6.340 -2.705 2.972 21 HG12 ILE 3 HG12 ILE 3 7.161 -3.512 0.152 22 HG13 ILE 3 HG13 ILE 3 5.715 -4.132 0.935 23 HG21 ILE 3 HG21 ILE 3 7.923 -1.139 1.981 24 HG22 ILE 3 HG22 ILE 3 8.715 -2.074 3.246 25 HG23 ILE 3 HG23 ILE 3 9.027 -2.468 1.558 26 HD11 ILE 3 HD11 ILE 3 5.157 -2.259 -0.508 27 HD12 ILE 3 HD12 ILE 3 4.788 -1.885 1.183 28 HD13 ILE 3 HD13 ILE 3 6.223 -1.180 0.408 29 H PHE 4 H PHE 4 5.516 -4.221 4.487 30 HA PHE 4 HA PHE 4 4.226 -6.723 3.580 31 HB2 PHE 4 HB2 PHE 4 4.267 -5.633 6.406 32 HB3 PHE 4 HB3 PHE 4 3.401 -7.052 5.849 33 HD1 PHE 4 HD1 PHE 4 4.722 -9.099 5.022 34 HD2 PHE 4 HD2 PHE 4 6.483 -5.831 7.237 35 HE1 PHE 4 HE1 PHE 4 6.560 -10.582 5.751 36 HE2 PHE 4 HE2 PHE 4 8.327 -7.323 7.948 37 HZ PHE 4 HZ PHE 4 8.365 -9.700 7.236 38 H VAL 5 H VAL 5 1.906 -6.657 3.667 39 HA VAL 5 HA VAL 5 0.718 -3.993 4.151 40 HB VAL 5 HB VAL 5 -0.007 -5.496 1.621 41 HG11 VAL 5 HG11 VAL 5 -1.625 -3.865 2.507 42 HG12 VAL 5 HG12 VAL 5 -0.370 -2.611 2.557 43 HG13 VAL 5 HG13 VAL 5 -0.905 -3.267 1.001 44 HG21 VAL 5 HG21 VAL 5 1.319 -3.836 0.331 45 HG22 VAL 5 HG22 VAL 5 2.042 -3.242 1.835 46 HG23 VAL 5 HG23 VAL 5 2.350 -4.903 1.277 47 H LYS 6 H LYS 6 -1.125 -4.137 5.281 48 HA LYS 6 HA LYS 6 -2.242 -6.822 5.836 49 HB2 LYS 6 HB2 LYS 6 -1.522 -4.857 7.607 50 HB3 LYS 6 HB3 LYS 6 -3.187 -4.386 7.315 51 HG2 LYS 6 HG2 LYS 6 -3.397 -5.835 9.122 52 HG3 LYS 6 HG3 LYS 6 -3.755 -6.919 7.774 53 HD2 LYS 6 HD2 LYS 6 -1.356 -7.716 7.842 54 HD3 LYS 6 HD3 LYS 6 -1.053 -6.588 9.165 55 HE2 LYS 6 HE2 LYS 6 -1.385 -8.542 10.326 56 HE3 LYS 6 HE3 LYS 6 -2.972 -7.789 10.427 57 HZ1 LYS 6 HZ1 LYS 6 -3.579 -9.277 8.501 58 HZ2 LYS 6 HZ2 LYS 6 -2.116 -10.016 8.681 59 HZ3 LYS 6 HZ3 LYS 6 -3.242 -10.042 9.893 60 H THR 7 H THR 7 -4.099 -7.387 4.699 61 HA THR 7 HA THR 7 -5.421 -5.352 3.053 62 HB THR 7 HB THR 7 -6.728 -7.197 2.206 63 HG1 THR 7 HG1 THR 7 -7.053 -8.933 3.246 64 HG21 THR 7 HG21 THR 7 -5.009 -8.738 1.374 65 HG22 THR 7 HG22 THR 7 -4.417 -7.068 1.318 66 HG23 THR 7 HG23 THR 7 -3.860 -8.172 2.593 67 H LEU 8 H LEU 8 -7.901 -5.185 3.126 68 HA LEU 8 HA LEU 8 -8.726 -4.549 5.826 69 HB2 LEU 8 HB2 LEU 8 -10.687 -3.746 4.966 70 HB3 LEU 8 HB3 LEU 8 -9.539 -3.365 3.737 71 HG LEU 8 HG LEU 8 -11.652 -5.573 3.736 72 HD11 LEU 8 HD11 LEU 8 -12.473 -3.276 3.388 73 HD12 LEU 8 HD12 LEU 8 -11.350 -3.070 2.035 74 HD13 LEU 8 HD13 LEU 8 -12.671 -4.241 1.923 75 HD21 LEU 8 HD21 LEU 8 -9.906 -4.967 1.335 76 HD22 LEU 8 HD22 LEU 8 -9.678 -6.387 2.387 77 HD23 LEU 8 HD23 LEU 8 -11.168 -6.175 1.479 78 H THR 9 H THR 9 -8.620 -7.481 4.141 79 HA THR 9 HA THR 9 -10.855 -8.786 5.454 80 HB THR 9 HB THR 9 -9.729 -10.683 3.933 81 HG1 THR 9 HG1 THR 9 -8.910 -9.690 2.020 82 HG21 THR 9 HG21 THR 9 -11.312 -8.303 2.859 83 HG22 THR 9 HG22 THR 9 -11.200 -9.902 2.088 84 HG23 THR 9 HG23 THR 9 -11.986 -9.734 3.661 85 H GLY 10 H GLY 10 -7.627 -8.090 6.245 86 HA2 GLY 10 HA2 GLY 10 -6.706 -8.628 8.284 87 HA3 GLY 10 HA3 GLY 10 -7.638 -10.123 8.363 88 H LYS 11 H LYS 11 -6.194 -9.824 5.255 89 HA LYS 11 HA LYS 11 -4.346 -11.943 5.963 90 HB2 LYS 11 HB2 LYS 11 -4.727 -10.415 3.344 91 HB3 LYS 11 HB3 LYS 11 -3.723 -11.819 3.509 92 HG2 LYS 11 HG2 LYS 11 -6.670 -12.002 4.236 93 HG3 LYS 11 HG3 LYS 11 -6.192 -11.990 2.565 94 HD2 LYS 11 HD2 LYS 11 -5.296 -13.999 4.652 95 HD3 LYS 11 HD3 LYS 11 -6.478 -14.256 3.382 96 HE2 LYS 11 HE2 LYS 11 -3.488 -13.801 3.001 97 HE3 LYS 11 HE3 LYS 11 -4.358 -15.325 2.812 98 HZ1 LYS 11 HZ1 LYS 11 -4.814 -12.940 1.102 99 HZ2 LYS 11 HZ2 LYS 11 -3.916 -14.255 0.683 100 HZ3 LYS 11 HZ3 LYS 11 -5.508 -14.426 0.937 101 H THR 12 H THR 12 -2.036 -11.812 5.146 102 HA THR 12 HA THR 12 -0.811 -9.122 5.521 103 HB THR 12 HB THR 12 0.024 -11.849 6.599 104 HG1 THR 12 HG1 THR 12 0.297 -10.027 8.392 105 HG21 THR 12 HG21 THR 12 2.107 -10.767 7.388 106 HG22 THR 12 HG22 THR 12 2.037 -10.822 5.637 107 HG23 THR 12 HG23 THR 12 1.691 -9.295 6.476 108 H ILE 13 H ILE 13 0.443 -8.639 3.809 109 HA ILE 13 HA ILE 13 1.032 -10.683 1.738 110 HB ILE 13 HB ILE 13 0.550 -7.703 1.411 111 HG12 ILE 13 HG12 ILE 13 -1.567 -8.742 2.100 112 HG13 ILE 13 HG13 ILE 13 -1.622 -8.140 0.480 113 HG21 ILE 13 HG21 ILE 13 1.943 -8.492 -0.382 114 HG22 ILE 13 HG22 ILE 13 0.895 -9.895 -0.661 115 HG23 ILE 13 HG23 ILE 13 0.321 -8.257 -1.025 116 HD11 ILE 13 HD11 ILE 13 -2.754 -10.317 0.704 117 HD12 ILE 13 HD12 ILE 13 -1.389 -10.455 -0.418 118 HD13 ILE 13 HD13 ILE 13 -1.248 -11.081 1.240 119 H THR 14 H THR 14 3.126 -10.356 0.673 120 HA THR 14 HA THR 14 5.095 -8.638 2.090 121 HB THR 14 HB THR 14 5.542 -11.512 1.162 122 HG1 THR 14 HG1 THR 14 4.244 -11.600 2.935 123 HG21 THR 14 HG21 THR 14 7.241 -9.640 2.883 124 HG22 THR 14 HG22 THR 14 7.616 -11.333 2.492 125 HG23 THR 14 HG23 THR 14 7.602 -10.140 1.203 126 H LEU 15 H LEU 15 6.276 -7.394 0.558 127 HA LEU 15 HA LEU 15 6.332 -8.279 -2.281 128 HB2 LEU 15 HB2 LEU 15 5.374 -5.581 -1.227 129 HB3 LEU 15 HB3 LEU 15 5.882 -5.840 -2.889 130 HG LEU 15 HG LEU 15 3.537 -7.281 -1.578 131 HD11 LEU 15 HD11 LEU 15 2.195 -5.778 -3.068 132 HD12 LEU 15 HD12 LEU 15 3.055 -4.920 -1.776 133 HD13 LEU 15 HD13 LEU 15 3.682 -4.877 -3.434 134 HD21 LEU 15 HD21 LEU 15 4.594 -7.231 -4.439 135 HD22 LEU 15 HD22 LEU 15 4.417 -8.644 -3.387 136 HD23 LEU 15 HD23 LEU 15 2.980 -7.813 -3.999 137 H GLU 16 H GLU 16 8.042 -7.387 -3.474 138 HA GLU 16 HA GLU 16 10.350 -6.354 -1.925 139 HB2 GLU 16 HB2 GLU 16 10.814 -8.355 -3.164 140 HB3 GLU 16 HB3 GLU 16 10.064 -7.721 -4.632 141 HG2 GLU 16 HG2 GLU 16 11.844 -6.200 -5.038 142 HG3 GLU 16 HG3 GLU 16 12.435 -6.326 -3.378 143 H VAL 17 H VAL 17 10.642 -4.200 -2.040 144 HA VAL 17 HA VAL 17 9.824 -2.674 -4.431 145 HB VAL 17 HB VAL 17 8.757 -0.965 -3.055 146 HG11 VAL 17 HG11 VAL 17 7.351 -2.857 -3.900 147 HG12 VAL 17 HG12 VAL 17 7.522 -3.662 -2.330 148 HG13 VAL 17 HG13 VAL 17 6.710 -2.087 -2.446 149 HG21 VAL 17 HG21 VAL 17 10.012 -1.230 -0.964 150 HG22 VAL 17 HG22 VAL 17 8.274 -1.346 -0.665 151 HG23 VAL 17 HG23 VAL 17 9.269 -2.820 -0.693 152 H GLU 18 H GLU 18 10.652 -0.180 -3.790 153 HA GLU 18 HA GLU 18 13.284 -0.330 -2.506 154 HB2 GLU 18 HB2 GLU 18 14.376 0.716 -4.462 155 HB3 GLU 18 HB3 GLU 18 13.784 -0.905 -4.752 156 HG2 GLU 18 HG2 GLU 18 11.856 -0.010 -6.017 157 HG3 GLU 18 HG3 GLU 18 12.419 1.647 -5.689 158 HA PRO 19 HA PRO 19 12.270 3.659 -1.040 159 HB2 PRO 19 HB2 PRO 19 14.852 4.748 -2.178 160 HB3 PRO 19 HB3 PRO 19 14.184 4.943 -0.529 161 HG2 PRO 19 HG2 PRO 19 16.110 3.165 -0.878 162 HG3 PRO 19 HG3 PRO 19 14.644 2.632 -0.002 163 HD2 PRO 19 HD2 PRO 19 15.225 2.284 -2.972 164 HD3 PRO 19 HD3 PRO 19 14.809 1.015 -1.780 165 H SER 20 H SER 20 13.013 3.423 -4.492 166 HA SER 20 HA SER 20 11.514 5.949 -4.995 167 HB2 SER 20 HB2 SER 20 13.574 4.577 -6.738 168 HB3 SER 20 HB3 SER 20 12.724 6.105 -7.073 169 HG SER 20 HG SER 20 13.662 6.926 -5.124 170 H ASP 21 H ASP 21 10.338 3.277 -4.420 171 HA ASP 21 HA ASP 21 9.239 2.455 -7.047 172 HB2 ASP 21 HB2 ASP 21 10.021 0.896 -5.156 173 HB3 ASP 21 HB3 ASP 21 8.626 1.431 -4.237 174 H THR 22 H THR 22 7.175 3.395 -7.667 175 HA THR 22 HA THR 22 6.182 5.525 -5.941 176 HB THR 22 HB THR 22 4.398 5.559 -7.856 177 HG1 THR 22 HG1 THR 22 5.944 4.670 -9.746 178 HG21 THR 22 HG21 THR 22 7.283 6.293 -8.415 179 HG22 THR 22 HG22 THR 22 5.866 6.880 -9.300 180 HG23 THR 22 HG23 THR 22 6.077 7.293 -7.591 181 H ILE 23 H ILE 23 4.034 5.706 -5.198 182 HA ILE 23 HA ILE 23 3.012 3.299 -4.052 183 HB ILE 23 HB ILE 23 1.655 5.955 -4.451 184 HG12 ILE 23 HG12 ILE 23 3.593 6.329 -3.135 185 HG13 ILE 23 HG13 ILE 23 2.223 6.325 -2.042 186 HG21 ILE 23 HG21 ILE 23 -0.111 4.418 -3.987 187 HG22 ILE 23 HG22 ILE 23 0.825 3.620 -2.707 188 HG23 ILE 23 HG23 ILE 23 0.211 5.277 -2.484 189 HD11 ILE 23 HD11 ILE 23 4.277 4.101 -2.384 190 HD12 ILE 23 HD12 ILE 23 4.079 5.185 -1.001 191 HD13 ILE 23 HD13 ILE 23 2.827 3.978 -1.361 192 H GLU 24 H GLU 24 2.516 4.669 -7.226 193 HA GLU 24 HA GLU 24 0.074 3.451 -8.009 194 HB2 GLU 24 HB2 GLU 24 1.132 5.115 -9.407 195 HB3 GLU 24 HB3 GLU 24 2.638 4.215 -9.485 196 HG2 GLU 24 HG2 GLU 24 1.616 2.514 -10.898 197 HG3 GLU 24 HG3 GLU 24 0.016 3.256 -10.716 198 H ASN 25 H ASN 25 3.444 2.310 -8.201 199 HA ASN 25 HA ASN 25 2.865 -0.288 -9.230 200 HB2 ASN 25 HB2 ASN 25 5.277 1.014 -7.929 201 HB3 ASN 25 HB3 ASN 25 5.263 -0.711 -8.310 202 HD21 ASN 25 HD21 ASN 25 5.550 1.992 -11.347 203 HD22 ASN 25 HD22 ASN 25 5.609 2.492 -9.673 204 H VAL 26 H VAL 26 3.702 0.804 -5.890 205 HA VAL 26 HA VAL 26 3.414 -1.713 -4.680 206 HB VAL 26 HB VAL 26 2.771 1.004 -3.455 207 HG11 VAL 26 HG11 VAL 26 1.958 -0.804 -2.007 208 HG12 VAL 26 HG12 VAL 26 3.510 -1.651 -2.157 209 HG13 VAL 26 HG13 VAL 26 3.417 -0.103 -1.303 210 HG21 VAL 26 HG21 VAL 26 5.076 0.954 -4.394 211 HG22 VAL 26 HG22 VAL 26 5.109 0.950 -2.639 212 HG23 VAL 26 HG23 VAL 26 5.393 -0.549 -3.529 213 H LYS 27 H LYS 27 0.854 0.672 -5.468 214 HA LYS 27 HA LYS 27 -1.255 -0.806 -4.156 215 HB2 LYS 27 HB2 LYS 27 -1.273 1.631 -4.510 216 HB3 LYS 27 HB3 LYS 27 -1.270 1.391 -6.266 217 HG2 LYS 27 HG2 LYS 27 -3.515 0.459 -6.200 218 HG3 LYS 27 HG3 LYS 27 -3.501 0.428 -4.426 219 HD2 LYS 27 HD2 LYS 27 -4.845 2.279 -5.396 220 HD3 LYS 27 HD3 LYS 27 -3.552 2.844 -4.318 221 HE2 LYS 27 HE2 LYS 27 -2.166 3.528 -6.170 222 HE3 LYS 27 HE3 LYS 27 -3.207 2.701 -7.336 223 HZ1 LYS 27 HZ1 LYS 27 -3.507 5.157 -7.194 224 HZ2 LYS 27 HZ2 LYS 27 -4.890 4.278 -7.019 225 HZ3 LYS 27 HZ3 LYS 27 -4.170 4.966 -5.705 226 H ALA 28 H ALA 28 0.341 -1.166 -7.232 227 HA ALA 28 HA ALA 28 -1.863 -2.660 -8.503 228 HB1 ALA 28 HB1 ALA 28 0.984 -2.035 -9.415 229 HB2 ALA 28 HB2 ALA 28 -0.301 -2.755 -10.389 230 HB3 ALA 28 HB3 ALA 28 -0.468 -1.089 -9.793 231 H LYS 29 H LYS 29 1.463 -3.273 -7.237 232 HA LYS 29 HA LYS 29 1.592 -6.007 -7.858 233 HB2 LYS 29 HB2 LYS 29 2.795 -4.473 -5.518 234 HB3 LYS 29 HB3 LYS 29 3.152 -6.171 -5.874 235 HG2 LYS 29 HG2 LYS 29 3.829 -5.453 -8.208 236 HG3 LYS 29 HG3 LYS 29 3.734 -3.781 -7.648 237 HD2 LYS 29 HD2 LYS 29 5.363 -4.446 -5.789 238 HD3 LYS 29 HD3 LYS 29 5.591 -5.979 -6.640 239 HE2 LYS 29 HE2 LYS 29 6.076 -3.184 -7.770 240 HE3 LYS 29 HE3 LYS 29 7.333 -4.271 -7.188 241 HZ1 LYS 29 HZ1 LYS 29 6.820 -5.763 -9.006 242 HZ2 LYS 29 HZ2 LYS 29 5.594 -4.767 -9.542 243 HZ3 LYS 29 HZ3 LYS 29 7.139 -4.270 -9.553 244 H ILE 30 H ILE 30 0.025 -4.483 -5.050 245 HA ILE 30 HA ILE 30 -0.589 -6.921 -3.706 246 HB ILE 30 HB ILE 30 -2.324 -5.583 -2.506 247 HG12 ILE 30 HG12 ILE 30 -1.340 -3.300 -4.256 248 HG13 ILE 30 HG13 ILE 30 -2.927 -4.065 -4.383 249 HG21 ILE 30 HG21 ILE 30 -0.716 -4.289 -1.256 250 HG22 ILE 30 HG22 ILE 30 0.068 -5.773 -1.807 251 HG23 ILE 30 HG23 ILE 30 0.402 -4.238 -2.633 252 HD11 ILE 30 HD11 ILE 30 -3.477 -3.317 -2.106 253 HD12 ILE 30 HD12 ILE 30 -1.881 -2.518 -1.991 254 HD13 ILE 30 HD13 ILE 30 -3.074 -1.956 -3.163 255 H GLN 31 H GLN 31 -2.120 -5.473 -6.578 256 HA GLN 31 HA GLN 31 -4.611 -6.936 -6.263 257 HB2 GLN 31 HB2 GLN 31 -3.526 -5.743 -8.835 258 HB3 GLN 31 HB3 GLN 31 -5.205 -6.021 -8.365 259 HG2 GLN 31 HG2 GLN 31 -4.783 -4.355 -6.440 260 HG3 GLN 31 HG3 GLN 31 -3.261 -3.975 -7.234 261 HE21 GLN 31 HE21 GLN 31 -6.039 -1.613 -8.256 262 HE22 GLN 31 HE22 GLN 31 -5.644 -2.262 -6.677 263 H ASP 32 H ASP 32 -1.407 -7.596 -7.462 264 HA ASP 32 HA ASP 32 -2.222 -9.986 -9.040 265 HB2 ASP 32 HB2 ASP 32 -0.331 -9.053 -9.996 266 HB3 ASP 32 HB3 ASP 32 0.364 -8.567 -8.464 267 H LYS 33 H LYS 33 -0.949 -9.081 -5.844 268 HA LYS 33 HA LYS 33 -0.687 -11.848 -4.960 269 HB2 LYS 33 HB2 LYS 33 -0.245 -9.147 -3.658 270 HB3 LYS 33 HB3 LYS 33 -0.127 -10.641 -2.743 271 HG2 LYS 33 HG2 LYS 33 1.598 -9.907 -5.150 272 HG3 LYS 33 HG3 LYS 33 2.061 -9.888 -3.440 273 HD2 LYS 33 HD2 LYS 33 1.369 -12.364 -3.414 274 HD3 LYS 33 HD3 LYS 33 1.457 -12.296 -5.184 275 HE2 LYS 33 HE2 LYS 33 3.811 -11.748 -5.116 276 HE3 LYS 33 HE3 LYS 33 3.759 -11.488 -3.362 277 HZ1 LYS 33 HZ1 LYS 33 3.166 -13.836 -3.114 278 HZ2 LYS 33 HZ2 LYS 33 3.317 -14.073 -4.724 279 HZ3 LYS 33 HZ3 LYS 33 4.637 -13.680 -3.845 280 H GLU 34 H GLU 34 -3.465 -9.705 -4.891 281 HA GLU 34 HA GLU 34 -4.894 -11.668 -3.277 282 HB2 GLU 34 HB2 GLU 34 -3.920 -9.952 -1.657 283 HB3 GLU 34 HB3 GLU 34 -4.823 -8.714 -2.517 284 HG2 GLU 34 HG2 GLU 34 -6.095 -9.196 -0.609 285 HG3 GLU 34 HG3 GLU 34 -6.954 -10.033 -1.883 286 H GLY 35 H GLY 35 -7.285 -11.291 -3.644 287 HA2 GLY 35 HA2 GLY 35 -7.782 -10.325 -6.348 288 HA3 GLY 35 HA3 GLY 35 -8.929 -11.087 -5.239 289 H ILE 36 H ILE 36 -7.161 -7.984 -5.771 290 HA ILE 36 HA ILE 36 -9.598 -6.529 -4.870 291 HB ILE 36 HB ILE 36 -8.100 -4.885 -3.726 292 HG12 ILE 36 HG12 ILE 36 -6.091 -7.189 -3.711 293 HG13 ILE 36 HG13 ILE 36 -5.872 -5.655 -4.540 294 HG21 ILE 36 HG21 ILE 36 -8.255 -7.641 -2.437 295 HG22 ILE 36 HG22 ILE 36 -8.307 -6.049 -1.638 296 HG23 ILE 36 HG23 ILE 36 -9.645 -6.560 -2.649 297 HD11 ILE 36 HD11 ILE 36 -6.002 -6.073 -1.543 298 HD12 ILE 36 HD12 ILE 36 -4.617 -5.579 -2.525 299 HD13 ILE 36 HD13 ILE 36 -5.996 -4.476 -2.334 300 HA PRO 37 HA PRO 37 -8.436 -4.691 -8.864 301 HB2 PRO 37 HB2 PRO 37 -11.100 -3.354 -8.695 302 HB3 PRO 37 HB3 PRO 37 -10.486 -4.455 -9.954 303 HG2 PRO 37 HG2 PRO 37 -12.431 -5.216 -8.182 304 HG3 PRO 37 HG3 PRO 37 -11.183 -6.361 -8.776 305 HD2 PRO 37 HD2 PRO 37 -11.191 -4.793 -6.181 306 HD3 PRO 37 HD3 PRO 37 -10.866 -6.532 -6.465 307 HA PRO 38 HA PRO 38 -7.622 -0.514 -7.354 308 HB2 PRO 38 HB2 PRO 38 -7.355 1.017 -9.602 309 HB3 PRO 38 HB3 PRO 38 -6.237 -0.313 -9.273 310 HG2 PRO 38 HG2 PRO 38 -8.631 -0.295 -11.090 311 HG3 PRO 38 HG3 PRO 38 -7.008 -0.974 -11.403 312 HD2 PRO 38 HD2 PRO 38 -9.175 -2.498 -10.570 313 HD3 PRO 38 HD3 PRO 38 -7.478 -2.925 -10.205 314 H ASP 39 H ASP 39 -10.148 -1.098 -6.801 315 HA ASP 39 HA ASP 39 -11.636 1.424 -7.099 316 HB2 ASP 39 HB2 ASP 39 -12.557 -0.069 -8.861 317 HB3 ASP 39 HB3 ASP 39 -12.806 -1.325 -7.651 318 H GLN 40 H GLN 40 -12.511 1.902 -5.170 319 HA GLN 40 HA GLN 40 -12.667 1.971 -2.905 320 HB2 GLN 40 HB2 GLN 40 -13.704 -0.872 -3.154 321 HB3 GLN 40 HB3 GLN 40 -13.998 0.286 -1.857 322 HG2 GLN 40 HG2 GLN 40 -15.085 0.308 -4.674 323 HG3 GLN 40 HG3 GLN 40 -15.962 0.262 -3.152 324 HE21 GLN 40 HE21 GLN 40 -15.310 3.818 -4.905 325 HE22 GLN 40 HE22 GLN 40 -15.063 2.254 -5.672 326 H ASN 41 H ASN 41 -10.118 1.722 -3.568 327 HA ASN 41 HA ASN 41 -9.027 0.214 -1.343 328 HB2 ASN 41 HB2 ASN 41 -8.425 -0.460 -4.236 329 HB3 ASN 41 HB3 ASN 41 -7.097 -0.470 -3.089 330 HD21 ASN 41 HD21 ASN 41 -9.995 -3.368 -2.751 331 HD22 ASN 41 HD22 ASN 41 -10.109 -2.105 -3.964 332 H ARG 42 H ARG 42 -7.331 1.285 -0.406 333 HA ARG 42 HA ARG 42 -5.791 3.366 -1.780 334 HB2 ARG 42 HB2 ARG 42 -7.780 4.605 -1.058 335 HB3 ARG 42 HB3 ARG 42 -7.657 3.912 0.571 336 HG2 ARG 42 HG2 ARG 42 -5.413 5.099 0.783 337 HG3 ARG 42 HG3 ARG 42 -5.774 5.923 -0.741 338 HD2 ARG 42 HD2 ARG 42 -7.617 5.912 1.706 339 HD3 ARG 42 HD3 ARG 42 -6.389 7.138 1.439 340 HE ARG 42 HE ARG 42 -8.964 6.878 0.126 341 HH11 ARG 42 HH11 ARG 42 -5.714 8.206 -0.356 342 HH12 ARG 42 HH12 ARG 42 -6.224 9.729 -0.938 343 HH21 ARG 42 HH21 ARG 42 -9.708 8.774 -0.889 344 HH22 ARG 42 HH22 ARG 42 -8.646 10.014 -1.403 345 H LEU 43 H LEU 43 -3.764 3.331 -0.926 346 HA LEU 43 HA LEU 43 -3.137 1.444 1.224 347 HB2 LEU 43 HB2 LEU 43 -1.972 1.652 -1.039 348 HB3 LEU 43 HB3 LEU 43 -1.400 3.233 -0.516 349 HG LEU 43 HG LEU 43 -0.210 2.072 1.413 350 HD11 LEU 43 HD11 LEU 43 -1.469 -0.066 1.460 351 HD12 LEU 43 HD12 LEU 43 -0.904 -0.434 -0.185 352 HD13 LEU 43 HD13 LEU 43 0.254 -0.354 1.146 353 HD21 LEU 43 HD21 LEU 43 1.616 1.233 -0.107 354 HD22 LEU 43 HD22 LEU 43 0.485 1.322 -1.467 355 HD23 LEU 43 HD23 LEU 43 0.959 2.795 -0.608 356 H ILE 44 H ILE 44 -2.344 2.030 3.245 357 HA ILE 44 HA ILE 44 -1.989 4.915 3.912 358 HB ILE 44 HB ILE 44 -3.240 2.867 5.754 359 HG12 ILE 44 HG12 ILE 44 -4.797 2.936 3.848 360 HG13 ILE 44 HG13 ILE 44 -5.474 3.537 5.341 361 HG21 ILE 44 HG21 ILE 44 -4.139 4.828 6.953 362 HG22 ILE 44 HG22 ILE 44 -2.378 4.897 6.830 363 HG23 ILE 44 HG23 ILE 44 -3.380 5.910 5.783 364 HD11 ILE 44 HD11 ILE 44 -6.076 4.877 3.272 365 HD12 ILE 44 HD12 ILE 44 -5.416 5.801 4.615 366 HD13 ILE 44 HD13 ILE 44 -4.408 5.415 3.201 367 H PHE 45 H PHE 45 -0.297 5.277 5.466 368 HA PHE 45 HA PHE 45 1.204 2.908 6.480 369 HB2 PHE 45 HB2 PHE 45 2.408 3.557 4.524 370 HB3 PHE 45 HB3 PHE 45 2.246 5.270 4.916 371 HD1 PHE 45 HD1 PHE 45 3.557 2.173 6.693 372 HD2 PHE 45 HD2 PHE 45 4.231 6.294 5.546 373 HE1 PHE 45 HE1 PHE 45 5.736 2.157 7.855 374 HE2 PHE 45 HE2 PHE 45 6.408 6.258 6.736 375 HZ PHE 45 HZ PHE 45 7.151 4.180 7.885 376 H ALA 46 H ALA 46 1.201 3.095 8.647 377 HA ALA 46 HA ALA 46 1.000 3.941 10.727 378 HB1 ALA 46 HB1 ALA 46 3.381 4.372 10.185 379 HB2 ALA 46 HB2 ALA 46 2.957 6.029 9.729 380 HB3 ALA 46 HB3 ALA 46 2.714 5.486 11.402 381 H GLY 47 H GLY 47 -1.206 4.604 9.273 382 HA2 GLY 47 HA2 GLY 47 -3.071 5.863 9.539 383 HA3 GLY 47 HA3 GLY 47 -2.200 6.961 10.595 384 H LYS 48 H LYS 48 -0.183 7.180 8.040 385 HA LYS 48 HA LYS 48 -1.542 9.572 7.030 386 HB2 LYS 48 HB2 LYS 48 0.864 9.624 7.500 387 HB3 LYS 48 HB3 LYS 48 1.159 8.334 6.317 388 HG2 LYS 48 HG2 LYS 48 0.545 9.685 4.472 389 HG3 LYS 48 HG3 LYS 48 -0.233 10.893 5.485 390 HD2 LYS 48 HD2 LYS 48 2.764 10.360 5.489 391 HD3 LYS 48 HD3 LYS 48 1.959 11.596 4.504 392 HE2 LYS 48 HE2 LYS 48 1.025 12.629 6.579 393 HE3 LYS 48 HE3 LYS 48 1.933 11.453 7.551 394 HZ1 LYS 48 HZ1 LYS 48 3.051 13.524 5.785 395 HZ2 LYS 48 HZ2 LYS 48 3.158 13.472 7.402 396 HZ3 LYS 48 HZ3 LYS 48 3.973 12.351 6.498 397 H GLN 49 H GLN 49 -2.823 9.575 5.259 398 HA GLN 49 HA GLN 49 -3.246 7.099 3.799 399 HB2 GLN 49 HB2 GLN 49 -4.298 9.852 3.014 400 HB3 GLN 49 HB3 GLN 49 -4.922 8.278 2.576 401 HG2 GLN 49 HG2 GLN 49 -6.432 9.080 4.194 402 HG3 GLN 49 HG3 GLN 49 -5.452 7.908 5.059 403 HE21 GLN 49 HE21 GLN 49 -5.498 10.526 7.500 404 HE22 GLN 49 HE22 GLN 49 -6.189 8.973 7.034 405 H LEU 50 H LEU 50 -2.393 6.562 1.792 406 HA LEU 50 HA LEU 50 -0.418 8.430 0.615 407 HB2 LEU 50 HB2 LEU 50 -0.527 5.417 0.299 408 HB3 LEU 50 HB3 LEU 50 0.765 6.511 -0.152 409 HG LEU 50 HG LEU 50 -0.025 5.693 2.679 410 HD11 LEU 50 HD11 LEU 50 2.408 5.142 0.919 411 HD12 LEU 50 HD12 LEU 50 2.261 4.663 2.610 412 HD13 LEU 50 HD13 LEU 50 1.164 3.981 1.405 413 HD21 LEU 50 HD21 LEU 50 0.790 8.062 2.649 414 HD22 LEU 50 HD22 LEU 50 1.943 6.975 3.434 415 HD23 LEU 50 HD23 LEU 50 2.232 7.503 1.772 416 H GLU 51 H GLU 51 -0.207 8.326 -1.698 417 HA GLU 51 HA GLU 51 -2.272 7.061 -3.290 418 HB2 GLU 51 HB2 GLU 51 -2.887 9.197 -4.382 419 HB3 GLU 51 HB3 GLU 51 -3.439 9.118 -2.704 420 HG2 GLU 51 HG2 GLU 51 -1.606 10.587 -1.981 421 HG3 GLU 51 HG3 GLU 51 -0.909 10.562 -3.601 422 H ASP 52 H ASP 52 -1.750 7.739 -5.659 423 HA ASP 52 HA ASP 52 1.022 7.175 -6.085 424 HB2 ASP 52 HB2 ASP 52 0.432 7.033 -8.481 425 HB3 ASP 52 HB3 ASP 52 -0.363 5.911 -7.400 426 H GLY 53 H GLY 53 2.298 8.199 -7.713 427 HA2 GLY 53 HA2 GLY 53 3.035 10.131 -8.851 428 HA3 GLY 53 HA3 GLY 53 2.136 11.158 -7.720 429 H ARG 54 H ARG 54 3.029 9.423 -5.382 430 HA ARG 54 HA ARG 54 5.844 10.473 -5.190 431 HB2 ARG 54 HB2 ARG 54 3.661 10.199 -3.116 432 HB3 ARG 54 HB3 ARG 54 5.368 10.235 -2.646 433 HG2 ARG 54 HG2 ARG 54 5.602 12.413 -3.940 434 HG3 ARG 54 HG3 ARG 54 3.848 12.369 -4.178 435 HD2 ARG 54 HD2 ARG 54 3.865 12.045 -1.514 436 HD3 ARG 54 HD3 ARG 54 5.444 12.829 -1.659 437 HE ARG 54 HE ARG 54 3.578 14.357 -3.132 438 HH11 ARG 54 HH11 ARG 54 4.184 13.511 0.265 439 HH12 ARG 54 HH12 ARG 54 3.749 15.087 0.848 440 HH21 ARG 54 HH21 ARG 54 3.074 16.354 -2.391 441 HH22 ARG 54 HH22 ARG 54 3.251 16.804 -0.724 442 H THR 55 H THR 55 7.289 9.286 -3.682 443 HA THR 55 HA THR 55 7.095 6.360 -4.151 444 HB THR 55 HB THR 55 9.522 6.383 -4.283 445 HG1 THR 55 HG1 THR 55 9.305 9.205 -3.909 446 HG21 THR 55 HG21 THR 55 9.892 7.514 -6.409 447 HG22 THR 55 HG22 THR 55 8.354 6.647 -6.392 448 HG23 THR 55 HG23 THR 55 8.382 8.425 -6.228 449 H LEU 56 H LEU 56 8.575 5.131 -2.630 450 HA LEU 56 HA LEU 56 7.676 5.374 0.005 451 HB2 LEU 56 HB2 LEU 56 10.002 3.910 -1.240 452 HB3 LEU 56 HB3 LEU 56 9.882 4.018 0.513 453 HG LEU 56 HG LEU 56 7.527 3.086 0.360 454 HD11 LEU 56 HD11 LEU 56 8.407 2.660 -2.503 455 HD12 LEU 56 HD12 LEU 56 7.142 1.681 -1.761 456 HD13 LEU 56 HD13 LEU 56 6.920 3.433 -1.941 457 HD21 LEU 56 HD21 LEU 56 9.754 1.309 -0.688 458 HD22 LEU 56 HD22 LEU 56 9.519 1.757 1.016 459 HD23 LEU 56 HD23 LEU 56 8.293 0.794 0.187 460 H SER 57 H SER 57 10.715 6.701 -1.376 461 HA SER 57 HA SER 57 11.847 7.597 1.069 462 HB2 SER 57 HB2 SER 57 12.067 8.842 -1.713 463 HB3 SER 57 HB3 SER 57 13.148 9.145 -0.339 464 HG SER 57 HG SER 57 12.791 6.801 -1.860 465 H ASP 58 H ASP 58 9.464 9.192 -1.096 466 HA ASP 58 HA ASP 58 9.555 11.746 0.116 467 HB2 ASP 58 HB2 ASP 58 7.214 10.407 -1.280 468 HB3 ASP 58 HB3 ASP 58 7.413 12.136 -0.950 469 H TYR 59 H TYR 59 7.440 8.942 0.706 470 HA TYR 59 HA TYR 59 6.153 10.167 3.033 471 HB2 TYR 59 HB2 TYR 59 6.058 7.388 1.824 472 HB3 TYR 59 HB3 TYR 59 5.048 7.923 3.160 473 HD1 TYR 59 HD1 TYR 59 3.646 10.172 2.710 474 HD2 TYR 59 HD2 TYR 59 5.153 7.540 -0.361 475 HE1 TYR 59 HE1 TYR 59 1.813 10.862 1.229 476 HE2 TYR 59 HE2 TYR 59 3.341 8.262 -1.864 477 HH TYR 59 HH TYR 59 1.448 9.595 -2.128 478 H ASN 60 H ASN 60 9.178 8.920 2.660 479 HA ASN 60 HA ASN 60 10.826 8.106 3.938 480 HB2 ASN 60 HB2 ASN 60 10.340 10.171 5.154 481 HB3 ASN 60 HB3 ASN 60 9.146 9.333 6.135 482 HD21 ASN 60 HD21 ASN 60 11.623 8.919 8.599 483 HD22 ASN 60 HD22 ASN 60 9.968 9.316 8.152 484 H ILE 61 H ILE 61 9.113 6.203 3.118 485 HA ILE 61 HA ILE 61 8.438 4.358 5.319 486 HB ILE 61 HB ILE 61 8.234 4.212 2.273 487 HG12 ILE 61 HG12 ILE 61 5.974 4.309 4.277 488 HG13 ILE 61 HG13 ILE 61 6.652 5.787 3.600 489 HG21 ILE 61 HG21 ILE 61 7.161 2.234 4.338 490 HG22 ILE 61 HG22 ILE 61 6.876 2.149 2.597 491 HG23 ILE 61 HG23 ILE 61 8.507 1.919 3.233 492 HD11 ILE 61 HD11 ILE 61 5.238 3.577 2.065 493 HD12 ILE 61 HD12 ILE 61 4.644 5.208 2.409 494 HD13 ILE 61 HD13 ILE 61 6.016 4.986 1.316 495 H GLN 62 H GLN 62 9.967 2.919 6.077 496 HA GLN 62 HA GLN 62 12.423 2.504 4.439 497 HB2 GLN 62 HB2 GLN 62 12.007 1.992 7.408 498 HB3 GLN 62 HB3 GLN 62 13.515 1.891 6.506 499 HG2 GLN 62 HG2 GLN 62 11.925 4.405 7.149 500 HG3 GLN 62 HG3 GLN 62 13.537 3.972 7.702 501 HE21 GLN 62 HE21 GLN 62 13.315 6.235 4.449 502 HE22 GLN 62 HE22 GLN 62 12.144 6.165 5.759 503 H LYS 63 H LYS 63 13.414 0.205 5.046 504 HA LYS 63 HA LYS 63 11.616 -1.659 3.816 505 HB2 LYS 63 HB2 LYS 63 13.363 -3.212 3.841 506 HB3 LYS 63 HB3 LYS 63 14.102 -1.656 3.533 507 HG2 LYS 63 HG2 LYS 63 14.772 -1.551 5.973 508 HG3 LYS 63 HG3 LYS 63 14.127 -3.194 6.165 509 HD2 LYS 63 HD2 LYS 63 15.682 -3.885 4.232 510 HD3 LYS 63 HD3 LYS 63 16.410 -2.272 4.386 511 HE2 LYS 63 HE2 LYS 63 16.676 -2.905 6.911 512 HE3 LYS 63 HE3 LYS 63 16.368 -4.564 6.373 513 HZ1 LYS 63 HZ1 LYS 63 18.575 -2.774 5.556 514 HZ2 LYS 63 HZ2 LYS 63 18.703 -4.179 6.393 515 HZ3 LYS 63 HZ3 LYS 63 18.295 -4.198 4.800 516 H GLU 64 H GLU 64 10.987 -3.727 4.651 517 HA GLU 64 HA GLU 64 9.662 -4.908 5.938 518 HB2 GLU 64 HB2 GLU 64 11.913 -4.270 7.875 519 HB3 GLU 64 HB3 GLU 64 10.564 -5.311 8.301 520 HG2 GLU 64 HG2 GLU 64 12.144 -6.821 7.570 521 HG3 GLU 64 HG3 GLU 64 11.044 -6.690 6.209 522 H SER 65 H SER 65 8.684 -2.269 5.555 523 HA SER 65 HA SER 65 7.523 -1.413 8.116 524 HB2 SER 65 HB2 SER 65 6.418 0.266 6.469 525 HB3 SER 65 HB3 SER 65 8.147 0.417 6.828 526 HG SER 65 HG SER 65 8.637 -0.058 4.870 527 H THR 66 H THR 66 5.035 -1.120 8.135 528 HA THR 66 HA THR 66 3.671 -3.261 6.596 529 HB THR 66 HB THR 66 3.509 -2.774 9.578 530 HG1 THR 66 HG1 THR 66 4.950 -4.345 9.004 531 HG21 THR 66 HG21 THR 66 1.536 -4.142 7.698 532 HG22 THR 66 HG22 THR 66 1.624 -4.484 9.451 533 HG23 THR 66 HG23 THR 66 1.203 -2.867 8.874 534 H LEU 67 H LEU 67 2.318 -2.381 5.309 535 HA LEU 67 HA LEU 67 1.079 0.252 5.956 536 HB2 LEU 67 HB2 LEU 67 1.550 -1.195 3.315 537 HB3 LEU 67 HB3 LEU 67 0.625 0.288 3.513 538 HG LEU 67 HG LEU 67 2.731 1.302 4.612 539 HD11 LEU 67 HD11 LEU 67 4.901 0.370 3.629 540 HD12 LEU 67 HD12 LEU 67 4.230 -0.560 4.960 541 HD13 LEU 67 HD13 LEU 67 4.016 -1.123 3.292 542 HD21 LEU 67 HD21 LEU 67 3.634 1.948 2.437 543 HD22 LEU 67 HD22 LEU 67 2.822 0.577 1.666 544 HD23 LEU 67 HD23 LEU 67 1.875 1.905 2.385 545 H HIS 68 H HIS 68 -1.209 0.489 5.250 546 HA HIS 68 HA HIS 68 -2.798 -2.009 5.650 547 HB2 HIS 68 HB2 HIS 68 -3.461 0.783 6.625 548 HB3 HIS 68 HB3 HIS 68 -4.453 -0.658 6.838 549 HD1 HIS 68 HD1 HIS 68 -0.949 0.628 7.958 550 HD2 HIS 68 HD2 HIS 68 -4.056 -2.008 9.058 551 HE1 HIS 68 HE1 HIS 68 -0.293 -0.328 10.200 552 H LEU 69 H LEU 69 -4.955 -1.950 4.658 553 HA LEU 69 HA LEU 69 -5.154 -0.172 2.278 554 HB2 LEU 69 HB2 LEU 69 -5.569 -3.154 2.650 555 HB3 LEU 69 HB3 LEU 69 -6.219 -2.317 1.262 556 HG LEU 69 HG LEU 69 -3.270 -2.235 1.925 557 HD11 LEU 69 HD11 LEU 69 -4.777 -4.087 0.034 558 HD12 LEU 69 HD12 LEU 69 -3.012 -3.943 0.142 559 HD13 LEU 69 HD13 LEU 69 -3.932 -4.559 1.519 560 HD21 LEU 69 HD21 LEU 69 -4.759 -1.642 -0.669 561 HD22 LEU 69 HD22 LEU 69 -4.179 -0.402 0.445 562 HD23 LEU 69 HD23 LEU 69 -3.020 -1.459 -0.354 563 H VAL 70 H VAL 70 -7.031 1.067 2.275 564 HA VAL 70 HA VAL 70 -9.419 0.018 3.672 565 HB VAL 70 HB VAL 70 -9.746 2.021 4.959 566 HG11 VAL 70 HG11 VAL 70 -6.797 1.388 5.355 567 HG12 VAL 70 HG12 VAL 70 -7.952 2.038 6.534 568 HG13 VAL 70 HG13 VAL 70 -8.131 0.381 5.946 569 HG21 VAL 70 HG21 VAL 70 -7.331 3.129 3.508 570 HG22 VAL 70 HG22 VAL 70 -8.983 3.772 3.481 571 HG23 VAL 70 HG23 VAL 70 -8.027 3.887 4.961 572 H LEU 71 H LEU 71 -11.323 1.458 3.407 573 HA LEU 71 HA LEU 71 -11.509 3.034 0.950 574 HB2 LEU 71 HB2 LEU 71 -13.373 1.864 0.112 575 HB3 LEU 71 HB3 LEU 71 -12.150 0.655 0.395 576 HG LEU 71 HG LEU 71 -14.543 1.182 2.239 577 HD11 LEU 71 HD11 LEU 71 -15.240 0.316 0.067 578 HD12 LEU 71 HD12 LEU 71 -14.089 -1.032 0.215 579 HD13 LEU 71 HD13 LEU 71 -15.468 -0.872 1.347 580 HD21 LEU 71 HD21 LEU 71 -12.392 -0.959 2.289 581 HD22 LEU 71 HD22 LEU 71 -12.834 0.178 3.590 582 HD23 LEU 71 HD23 LEU 71 -13.941 -1.115 3.135 583 H ARG 72 H ARG 72 -14.256 3.573 1.069 584 HA ARG 72 HA ARG 72 -15.069 4.146 3.778 585 HB2 ARG 72 HB2 ARG 72 -13.377 6.054 2.916 586 HB3 ARG 72 HB3 ARG 72 -14.749 6.557 1.944 587 HG2 ARG 72 HG2 ARG 72 -14.818 7.872 3.919 588 HG3 ARG 72 HG3 ARG 72 -16.095 6.665 4.104 589 HD2 ARG 72 HD2 ARG 72 -14.274 5.292 5.399 590 HD3 ARG 72 HD3 ARG 72 -13.398 6.820 5.497 591 HE ARG 72 HE ARG 72 -15.790 7.613 6.384 592 HH11 ARG 72 HH11 ARG 72 -13.827 4.786 7.388 593 HH12 ARG 72 HH12 ARG 72 -14.588 4.681 8.922 594 HH21 ARG 72 HH21 ARG 72 -16.809 7.404 8.339 595 HH22 ARG 72 HH22 ARG 72 -16.314 6.213 9.519 596 H LEU 73 H LEU 73 -17.339 3.886 3.656 597 HA LEU 73 HA LEU 73 -18.788 4.601 1.214 598 HB2 LEU 73 HB2 LEU 73 -18.635 1.763 2.321 599 HB3 LEU 73 HB3 LEU 73 -19.959 2.318 1.308 600 HG LEU 73 HG LEU 73 -17.033 2.217 0.447 601 HD11 LEU 73 HD11 LEU 73 -17.739 0.356 -0.992 602 HD12 LEU 73 HD12 LEU 73 -18.014 -0.020 0.711 603 HD13 LEU 73 HD13 LEU 73 -19.382 0.435 -0.327 604 HD21 LEU 73 HD21 LEU 73 -19.532 2.797 -1.223 605 HD22 LEU 73 HD22 LEU 73 -18.320 4.009 -0.758 606 HD23 LEU 73 HD23 LEU 73 -17.860 2.677 -1.810 607 H ARG 74 H ARG 74 -20.943 5.023 1.618 608 HA ARG 74 HA ARG 74 -21.707 5.270 4.506 609 HB2 ARG 74 HB2 ARG 74 -22.648 6.666 1.968 610 HB3 ARG 74 HB3 ARG 74 -23.425 6.884 3.524 611 HG2 ARG 74 HG2 ARG 74 -20.516 7.577 2.929 612 HG3 ARG 74 HG3 ARG 74 -21.845 8.726 2.893 613 HD2 ARG 74 HD2 ARG 74 -21.011 7.131 5.355 614 HD3 ARG 74 HD3 ARG 74 -20.544 8.796 5.027 615 HE ARG 74 HE ARG 74 -23.175 7.800 5.913 616 HH11 ARG 74 HH11 ARG 74 -21.336 10.648 4.773 617 HH12 ARG 74 HH12 ARG 74 -22.624 11.715 5.221 618 HH21 ARG 74 HH21 ARG 74 -24.889 9.248 6.230 619 HH22 ARG 74 HH22 ARG 74 -24.654 10.938 6.030 620 H GLY 75 H GLY 75 -22.614 3.775 1.414 621 HA2 GLY 75 HA2 GLY 75 -25.293 3.096 2.278 622 HA3 GLY 75 HA3 GLY 75 -24.460 2.548 0.830 623 H GLY 76 H GLY 76 -22.766 1.873 3.926 624 HA2 GLY 76 HA2 GLY 76 -23.929 -0.409 4.825 625 HA3 GLY 76 HA3 GLY 76 -22.961 -0.960 3.441 Start of MODEL 10 1 H1 MET 1 H MET 1 14.997 -4.938 -0.772 2 HA MET 1 HA MET 1 14.052 -4.112 1.905 3 HB2 MET 1 HB2 MET 1 14.704 -2.100 0.910 4 HB3 MET 1 HB3 MET 1 13.959 -2.493 -0.640 5 HG2 MET 1 HG2 MET 1 11.745 -2.260 0.277 6 HG3 MET 1 HG3 MET 1 12.353 -2.288 1.936 7 HE1 MET 1 HE1 MET 1 10.803 1.317 1.548 8 HE2 MET 1 HE2 MET 1 10.221 -0.161 0.737 9 HE3 MET 1 HE3 MET 1 10.714 -0.211 2.437 10 H GLN 2 H GLN 2 12.338 -5.145 2.497 11 HA GLN 2 HA GLN 2 10.386 -6.082 0.491 12 HB2 GLN 2 HB2 GLN 2 11.739 -7.993 1.268 13 HB3 GLN 2 HB3 GLN 2 11.432 -7.544 2.955 14 HG2 GLN 2 HG2 GLN 2 8.991 -7.930 2.603 15 HG3 GLN 2 HG3 GLN 2 9.300 -8.317 0.919 16 HE21 GLN 2 HE21 GLN 2 9.884 -11.101 3.889 17 HE22 GLN 2 HE22 GLN 2 9.750 -9.381 4.267 18 H ILE 3 H ILE 3 8.204 -5.657 1.257 19 HA ILE 3 HA ILE 3 7.933 -4.519 4.000 20 HB ILE 3 HB ILE 3 6.421 -2.801 3.253 21 HG12 ILE 3 HG12 ILE 3 7.077 -3.594 0.386 22 HG13 ILE 3 HG13 ILE 3 5.545 -3.838 1.211 23 HG21 ILE 3 HG21 ILE 3 8.035 -1.211 2.459 24 HG22 ILE 3 HG22 ILE 3 8.839 -2.332 3.553 25 HG23 ILE 3 HG23 ILE 3 9.077 -2.491 1.808 26 HD11 ILE 3 HD11 ILE 3 5.354 -1.914 -0.220 27 HD12 ILE 3 HD12 ILE 3 5.284 -1.375 1.469 28 HD13 ILE 3 HD13 ILE 3 6.770 -1.148 0.516 29 H PHE 4 H PHE 4 5.582 -4.454 4.631 30 HA PHE 4 HA PHE 4 4.134 -6.764 3.525 31 HB2 PHE 4 HB2 PHE 4 4.255 -5.834 6.406 32 HB3 PHE 4 HB3 PHE 4 3.376 -7.230 5.808 33 HD1 PHE 4 HD1 PHE 4 4.864 -9.114 4.638 34 HD2 PHE 4 HD2 PHE 4 6.357 -6.118 7.377 35 HE1 PHE 4 HE1 PHE 4 6.733 -10.604 5.254 36 HE2 PHE 4 HE2 PHE 4 8.200 -7.641 8.021 37 HZ PHE 4 HZ PHE 4 8.389 -9.892 6.978 38 H VAL 5 H VAL 5 1.821 -6.587 3.638 39 HA VAL 5 HA VAL 5 0.727 -3.950 4.405 40 HB VAL 5 HB VAL 5 0.003 -5.240 1.744 41 HG11 VAL 5 HG11 VAL 5 -1.727 -3.851 2.773 42 HG12 VAL 5 HG12 VAL 5 -0.578 -2.513 2.986 43 HG13 VAL 5 HG13 VAL 5 -1.045 -3.032 1.356 44 HG21 VAL 5 HG21 VAL 5 1.171 -3.371 0.614 45 HG22 VAL 5 HG22 VAL 5 1.856 -2.846 2.171 46 HG23 VAL 5 HG23 VAL 5 2.298 -4.403 1.477 47 H LYS 6 H LYS 6 -1.169 -4.230 5.548 48 HA LYS 6 HA LYS 6 -2.200 -6.998 5.745 49 HB2 LYS 6 HB2 LYS 6 -1.426 -5.711 7.853 50 HB3 LYS 6 HB3 LYS 6 -2.875 -4.715 7.625 51 HG2 LYS 6 HG2 LYS 6 -3.531 -6.430 9.132 52 HG3 LYS 6 HG3 LYS 6 -4.206 -6.908 7.576 53 HD2 LYS 6 HD2 LYS 6 -3.302 -8.938 8.009 54 HD3 LYS 6 HD3 LYS 6 -1.788 -8.224 7.482 55 HE2 LYS 6 HE2 LYS 6 -1.218 -9.225 9.489 56 HE3 LYS 6 HE3 LYS 6 -1.447 -7.531 9.947 57 HZ1 LYS 6 HZ1 LYS 6 -3.792 -8.272 10.596 58 HZ2 LYS 6 HZ2 LYS 6 -3.251 -9.821 10.435 59 HZ3 LYS 6 HZ3 LYS 6 -2.540 -8.844 11.517 60 H THR 7 H THR 7 -4.014 -7.468 4.645 61 HA THR 7 HA THR 7 -5.393 -5.415 3.125 62 HB THR 7 HB THR 7 -6.681 -7.360 2.297 63 HG1 THR 7 HG1 THR 7 -6.734 -9.189 3.271 64 HG21 THR 7 HG21 THR 7 -4.932 -8.714 1.334 65 HG22 THR 7 HG22 THR 7 -4.379 -7.029 1.347 66 HG23 THR 7 HG23 THR 7 -3.764 -8.187 2.552 67 H LEU 8 H LEU 8 -7.856 -5.505 3.059 68 HA LEU 8 HA LEU 8 -8.900 -4.956 5.716 69 HB2 LEU 8 HB2 LEU 8 -10.803 -4.160 4.734 70 HB3 LEU 8 HB3 LEU 8 -9.567 -3.727 3.579 71 HG LEU 8 HG LEU 8 -11.627 -5.983 3.362 72 HD11 LEU 8 HD11 LEU 8 -12.468 -3.666 3.021 73 HD12 LEU 8 HD12 LEU 8 -11.249 -3.415 1.762 74 HD13 LEU 8 HD13 LEU 8 -12.519 -4.607 1.523 75 HD21 LEU 8 HD21 LEU 8 -9.701 -5.154 1.167 76 HD22 LEU 8 HD22 LEU 8 -9.492 -6.639 2.144 77 HD23 LEU 8 HD23 LEU 8 -10.903 -6.419 1.101 78 H THR 9 H THR 9 -8.374 -7.854 4.043 79 HA THR 9 HA THR 9 -10.683 -9.289 5.159 80 HB THR 9 HB THR 9 -9.576 -11.158 3.756 81 HG1 THR 9 HG1 THR 9 -8.268 -10.469 2.102 82 HG21 THR 9 HG21 THR 9 -10.595 -8.650 2.345 83 HG22 THR 9 HG22 THR 9 -10.586 -10.288 1.673 84 HG23 THR 9 HG23 THR 9 -11.613 -9.913 3.070 85 H GLY 10 H GLY 10 -7.468 -8.459 6.024 86 HA2 GLY 10 HA2 GLY 10 -6.569 -8.886 8.117 87 HA3 GLY 10 HA3 GLY 10 -7.451 -10.407 8.228 88 H LYS 11 H LYS 11 -6.047 -10.166 5.129 89 HA LYS 11 HA LYS 11 -4.034 -12.171 5.839 90 HB2 LYS 11 HB2 LYS 11 -5.086 -10.894 3.277 91 HB3 LYS 11 HB3 LYS 11 -3.553 -11.707 3.216 92 HG2 LYS 11 HG2 LYS 11 -5.994 -13.109 4.347 93 HG3 LYS 11 HG3 LYS 11 -5.739 -13.000 2.612 94 HD2 LYS 11 HD2 LYS 11 -3.746 -14.200 4.577 95 HD3 LYS 11 HD3 LYS 11 -4.879 -15.125 3.607 96 HE2 LYS 11 HE2 LYS 11 -2.578 -13.428 2.543 97 HE3 LYS 11 HE3 LYS 11 -2.643 -15.182 2.648 98 HZ1 LYS 11 HZ1 LYS 11 -4.243 -13.474 0.846 99 HZ2 LYS 11 HZ2 LYS 11 -3.128 -14.601 0.477 100 HZ3 LYS 11 HZ3 LYS 11 -4.570 -15.078 1.100 101 H THR 12 H THR 12 -1.780 -11.886 5.105 102 HA THR 12 HA THR 12 -0.827 -9.082 5.265 103 HB THR 12 HB THR 12 0.774 -11.540 6.055 104 HG1 THR 12 HG1 THR 12 0.230 -11.110 8.195 105 HG21 THR 12 HG21 THR 12 2.025 -9.872 7.391 106 HG22 THR 12 HG22 THR 12 1.983 -9.408 5.686 107 HG23 THR 12 HG23 THR 12 0.920 -8.590 6.856 108 H ILE 13 H ILE 13 0.368 -8.469 3.555 109 HA ILE 13 HA ILE 13 0.912 -10.398 1.361 110 HB ILE 13 HB ILE 13 0.727 -7.363 1.284 111 HG12 ILE 13 HG12 ILE 13 -1.468 -8.113 2.022 112 HG13 ILE 13 HG13 ILE 13 -1.537 -7.529 0.394 113 HG21 ILE 13 HG21 ILE 13 1.897 -8.183 -0.644 114 HG22 ILE 13 HG22 ILE 13 0.685 -9.444 -0.935 115 HG23 ILE 13 HG23 ILE 13 0.276 -7.737 -1.163 116 HD11 ILE 13 HD11 ILE 13 -2.881 -9.562 0.623 117 HD12 ILE 13 HD12 ILE 13 -1.507 -9.922 -0.423 118 HD13 ILE 13 HD13 ILE 13 -1.509 -10.466 1.267 119 H THR 14 H THR 14 3.017 -10.046 0.246 120 HA THR 14 HA THR 14 5.090 -8.630 1.814 121 HB THR 14 HB THR 14 5.360 -11.465 0.720 122 HG1 THR 14 HG1 THR 14 3.993 -11.445 2.484 123 HG21 THR 14 HG21 THR 14 7.121 -9.790 2.558 124 HG22 THR 14 HG22 THR 14 7.409 -11.488 2.107 125 HG23 THR 14 HG23 THR 14 7.479 -10.229 0.865 126 H LEU 15 H LEU 15 6.326 -7.365 0.377 127 HA LEU 15 HA LEU 15 6.410 -8.062 -2.486 128 HB2 LEU 15 HB2 LEU 15 5.454 -5.369 -1.405 129 HB3 LEU 15 HB3 LEU 15 5.941 -5.654 -3.069 130 HG LEU 15 HG LEU 15 3.588 -7.035 -1.720 131 HD11 LEU 15 HD11 LEU 15 2.229 -5.547 -3.186 132 HD12 LEU 15 HD12 LEU 15 3.144 -4.667 -1.953 133 HD13 LEU 15 HD13 LEU 15 3.711 -4.676 -3.636 134 HD21 LEU 15 HD21 LEU 15 4.556 -7.035 -4.610 135 HD22 LEU 15 HD22 LEU 15 4.488 -8.414 -3.532 136 HD23 LEU 15 HD23 LEU 15 2.980 -7.670 -4.063 137 H GLU 16 H GLU 16 8.198 -7.280 -3.528 138 HA GLU 16 HA GLU 16 10.385 -6.121 -1.880 139 HB2 GLU 16 HB2 GLU 16 10.837 -8.285 -2.822 140 HB3 GLU 16 HB3 GLU 16 10.322 -7.773 -4.432 141 HG2 GLU 16 HG2 GLU 16 12.250 -6.383 -4.720 142 HG3 GLU 16 HG3 GLU 16 12.641 -6.443 -2.992 143 H VAL 17 H VAL 17 10.417 -3.975 -2.055 144 HA VAL 17 HA VAL 17 10.364 -2.707 -4.715 145 HB VAL 17 HB VAL 17 8.894 -0.894 -4.040 146 HG11 VAL 17 HG11 VAL 17 8.036 -2.853 -5.312 147 HG12 VAL 17 HG12 VAL 17 7.451 -3.574 -3.802 148 HG13 VAL 17 HG13 VAL 17 6.792 -2.023 -4.388 149 HG21 VAL 17 HG21 VAL 17 9.091 -1.207 -1.506 150 HG22 VAL 17 HG22 VAL 17 7.490 -0.849 -2.168 151 HG23 VAL 17 HG23 VAL 17 7.867 -2.506 -1.698 152 H GLU 18 H GLU 18 10.790 0.002 -3.885 153 HA GLU 18 HA GLU 18 12.916 -0.098 -1.898 154 HB2 GLU 18 HB2 GLU 18 14.553 0.955 -3.501 155 HB3 GLU 18 HB3 GLU 18 14.212 -0.704 -3.803 156 HG2 GLU 18 HG2 GLU 18 12.406 1.049 -5.360 157 HG3 GLU 18 HG3 GLU 18 14.099 1.475 -5.599 158 HA PRO 19 HA PRO 19 11.765 3.961 -0.925 159 HB2 PRO 19 HB2 PRO 19 14.529 4.989 -1.536 160 HB3 PRO 19 HB3 PRO 19 13.509 5.269 -0.087 161 HG2 PRO 19 HG2 PRO 19 15.501 3.472 0.037 162 HG3 PRO 19 HG3 PRO 19 13.894 3.018 0.693 163 HD2 PRO 19 HD2 PRO 19 15.038 2.397 -2.039 164 HD3 PRO 19 HD3 PRO 19 14.303 1.263 -0.870 165 H SER 20 H SER 20 13.269 3.492 -4.140 166 HA SER 20 HA SER 20 12.084 6.087 -4.980 167 HB2 SER 20 HB2 SER 20 13.947 4.369 -6.603 168 HB3 SER 20 HB3 SER 20 13.768 6.126 -6.618 169 HG SER 20 HG SER 20 15.096 6.269 -4.911 170 H ASP 21 H ASP 21 10.533 3.485 -4.574 171 HA ASP 21 HA ASP 21 9.586 3.054 -7.358 172 HB2 ASP 21 HB2 ASP 21 10.182 1.078 -5.925 173 HB3 ASP 21 HB3 ASP 21 8.843 1.510 -4.853 174 H THR 22 H THR 22 7.347 3.567 -7.890 175 HA THR 22 HA THR 22 6.225 5.664 -6.143 176 HB THR 22 HB THR 22 4.387 5.709 -7.851 177 HG1 THR 22 HG1 THR 22 5.953 4.324 -9.672 178 HG21 THR 22 HG21 THR 22 7.184 6.263 -8.857 179 HG22 THR 22 HG22 THR 22 5.681 6.802 -9.631 180 HG23 THR 22 HG23 THR 22 6.086 7.371 -8.011 181 H ILE 23 H ILE 23 4.066 5.651 -5.368 182 HA ILE 23 HA ILE 23 3.313 3.142 -4.165 183 HB ILE 23 HB ILE 23 1.846 5.761 -4.387 184 HG12 ILE 23 HG12 ILE 23 3.816 6.019 -3.052 185 HG13 ILE 23 HG13 ILE 23 2.423 5.977 -1.975 186 HG21 ILE 23 HG21 ILE 23 0.108 4.149 -4.019 187 HG22 ILE 23 HG22 ILE 23 1.063 3.293 -2.795 188 HG23 ILE 23 HG23 ILE 23 0.421 4.921 -2.463 189 HD11 ILE 23 HD11 ILE 23 4.438 3.739 -2.393 190 HD12 ILE 23 HD12 ILE 23 4.244 4.768 -0.970 191 HD13 ILE 23 HD13 ILE 23 2.975 3.604 -1.391 192 H GLU 24 H GLU 24 2.657 4.518 -7.312 193 HA GLU 24 HA GLU 24 0.241 3.208 -7.990 194 HB2 GLU 24 HB2 GLU 24 1.273 4.954 -9.386 195 HB3 GLU 24 HB3 GLU 24 2.691 3.947 -9.649 196 HG2 GLU 24 HG2 GLU 24 1.342 2.314 -10.921 197 HG3 GLU 24 HG3 GLU 24 -0.112 3.271 -10.624 198 H ASN 25 H ASN 25 3.658 2.178 -8.324 199 HA ASN 25 HA ASN 25 3.111 -0.414 -9.337 200 HB2 ASN 25 HB2 ASN 25 5.472 0.900 -7.995 201 HB3 ASN 25 HB3 ASN 25 5.454 -0.858 -8.088 202 HD21 ASN 25 HD21 ASN 25 7.099 0.590 -11.188 203 HD22 ASN 25 HD22 ASN 25 7.262 0.998 -9.464 204 H VAL 26 H VAL 26 3.714 0.673 -5.973 205 HA VAL 26 HA VAL 26 3.336 -1.843 -4.742 206 HB VAL 26 HB VAL 26 2.609 0.893 -3.600 207 HG11 VAL 26 HG11 VAL 26 1.742 -0.939 -2.193 208 HG12 VAL 26 HG12 VAL 26 3.335 -1.720 -2.193 209 HG13 VAL 26 HG13 VAL 26 3.101 -0.144 -1.398 210 HG21 VAL 26 HG21 VAL 26 4.976 0.852 -4.387 211 HG22 VAL 26 HG22 VAL 26 4.851 0.917 -2.633 212 HG23 VAL 26 HG23 VAL 26 5.255 -0.615 -3.438 213 H LYS 27 H LYS 27 0.821 0.610 -5.643 214 HA LYS 27 HA LYS 27 -1.313 -0.918 -4.452 215 HB2 LYS 27 HB2 LYS 27 -1.296 1.557 -4.753 216 HB3 LYS 27 HB3 LYS 27 -1.446 1.327 -6.502 217 HG2 LYS 27 HG2 LYS 27 -3.653 0.331 -6.238 218 HG3 LYS 27 HG3 LYS 27 -3.457 0.218 -4.485 219 HD2 LYS 27 HD2 LYS 27 -4.990 2.026 -5.146 220 HD3 LYS 27 HD3 LYS 27 -3.588 2.643 -4.249 221 HE2 LYS 27 HE2 LYS 27 -2.516 3.385 -6.307 222 HE3 LYS 27 HE3 LYS 27 -3.733 2.587 -7.289 223 HZ1 LYS 27 HZ1 LYS 27 -3.980 5.020 -7.057 224 HZ2 LYS 27 HZ2 LYS 27 -5.339 4.189 -6.643 225 HZ3 LYS 27 HZ3 LYS 27 -4.392 4.828 -5.474 226 H ALA 28 H ALA 28 0.349 -1.194 -7.513 227 HA ALA 28 HA ALA 28 -1.877 -2.702 -8.751 228 HB1 ALA 28 HB1 ALA 28 0.978 -2.191 -9.709 229 HB2 ALA 28 HB2 ALA 28 -0.365 -2.891 -10.650 230 HB3 ALA 28 HB3 ALA 28 -0.443 -1.196 -10.113 231 H LYS 29 H LYS 29 1.430 -3.289 -7.510 232 HA LYS 29 HA LYS 29 1.594 -6.036 -7.949 233 HB2 LYS 29 HB2 LYS 29 2.737 -4.247 -5.779 234 HB3 LYS 29 HB3 LYS 29 3.110 -5.966 -5.874 235 HG2 LYS 29 HG2 LYS 29 4.057 -5.709 -8.126 236 HG3 LYS 29 HG3 LYS 29 3.674 -3.979 -8.111 237 HD2 LYS 29 HD2 LYS 29 5.087 -3.783 -6.011 238 HD3 LYS 29 HD3 LYS 29 5.597 -5.457 -6.249 239 HE2 LYS 29 HE2 LYS 29 6.069 -3.135 -8.188 240 HE3 LYS 29 HE3 LYS 29 7.230 -3.772 -7.032 241 HZ1 LYS 29 HZ1 LYS 29 6.845 -5.975 -8.317 242 HZ2 LYS 29 HZ2 LYS 29 6.390 -4.944 -9.550 243 HZ3 LYS 29 HZ3 LYS 29 7.860 -4.827 -8.846 244 H ILE 30 H ILE 30 -0.041 -4.373 -5.205 245 HA ILE 30 HA ILE 30 -0.569 -6.785 -3.755 246 HB ILE 30 HB ILE 30 -2.349 -5.460 -2.612 247 HG12 ILE 30 HG12 ILE 30 -1.496 -3.203 -4.425 248 HG13 ILE 30 HG13 ILE 30 -3.030 -4.064 -4.544 249 HG21 ILE 30 HG21 ILE 30 -0.813 -3.997 -1.434 250 HG22 ILE 30 HG22 ILE 30 -0.002 -5.506 -1.838 251 HG23 ILE 30 HG23 ILE 30 0.334 -4.045 -2.783 252 HD11 ILE 30 HD11 ILE 30 -3.601 -3.301 -2.239 253 HD12 ILE 30 HD12 ILE 30 -2.123 -2.297 -2.258 254 HD13 ILE 30 HD13 ILE 30 -3.420 -1.994 -3.423 255 H GLN 31 H GLN 31 -2.217 -5.395 -6.615 256 HA GLN 31 HA GLN 31 -4.609 -6.965 -6.271 257 HB2 GLN 31 HB2 GLN 31 -3.637 -5.905 -8.934 258 HB3 GLN 31 HB3 GLN 31 -5.291 -6.107 -8.354 259 HG2 GLN 31 HG2 GLN 31 -4.855 -4.235 -6.695 260 HG3 GLN 31 HG3 GLN 31 -3.274 -4.044 -7.416 261 HE21 GLN 31 HE21 GLN 31 -5.760 -1.572 -8.870 262 HE22 GLN 31 HE22 GLN 31 -5.529 -2.137 -7.226 263 H ASP 32 H ASP 32 -1.403 -7.589 -7.505 264 HA ASP 32 HA ASP 32 -2.180 -9.932 -9.134 265 HB2 ASP 32 HB2 ASP 32 -0.240 -9.094 -9.996 266 HB3 ASP 32 HB3 ASP 32 0.350 -8.503 -8.454 267 H LYS 33 H LYS 33 -0.806 -9.321 -5.854 268 HA LYS 33 HA LYS 33 -0.833 -12.209 -5.318 269 HB2 LYS 33 HB2 LYS 33 -0.026 -9.880 -3.544 270 HB3 LYS 33 HB3 LYS 33 0.060 -11.593 -3.094 271 HG2 LYS 33 HG2 LYS 33 1.457 -11.993 -5.183 272 HG3 LYS 33 HG3 LYS 33 1.555 -10.238 -5.355 273 HD2 LYS 33 HD2 LYS 33 2.654 -10.111 -3.102 274 HD3 LYS 33 HD3 LYS 33 2.542 -11.883 -2.989 275 HE2 LYS 33 HE2 LYS 33 3.816 -12.024 -5.172 276 HE3 LYS 33 HE3 LYS 33 4.100 -10.282 -5.076 277 HZ1 LYS 33 HZ1 LYS 33 5.309 -10.727 -2.963 278 HZ2 LYS 33 HZ2 LYS 33 5.002 -12.324 -3.125 279 HZ3 LYS 33 HZ3 LYS 33 5.952 -11.558 -4.215 280 H GLU 34 H GLU 34 -3.324 -9.769 -4.894 281 HA GLU 34 HA GLU 34 -4.889 -11.781 -3.472 282 HB2 GLU 34 HB2 GLU 34 -3.631 -10.074 -1.835 283 HB3 GLU 34 HB3 GLU 34 -4.860 -8.955 -2.394 284 HG2 GLU 34 HG2 GLU 34 -5.820 -9.795 -0.472 285 HG3 GLU 34 HG3 GLU 34 -6.563 -10.816 -1.695 286 H GLY 35 H GLY 35 -7.189 -11.369 -3.899 287 HA2 GLY 35 HA2 GLY 35 -7.629 -9.904 -6.353 288 HA3 GLY 35 HA3 GLY 35 -8.810 -10.848 -5.451 289 H ILE 36 H ILE 36 -7.246 -7.705 -5.806 290 HA ILE 36 HA ILE 36 -9.605 -6.384 -4.631 291 HB ILE 36 HB ILE 36 -8.008 -4.779 -3.450 292 HG12 ILE 36 HG12 ILE 36 -6.152 -7.216 -3.487 293 HG13 ILE 36 HG13 ILE 36 -5.836 -5.695 -4.311 294 HG21 ILE 36 HG21 ILE 36 -8.315 -7.540 -2.209 295 HG22 ILE 36 HG22 ILE 36 -8.303 -5.955 -1.397 296 HG23 ILE 36 HG23 ILE 36 -9.657 -6.397 -2.418 297 HD11 ILE 36 HD11 ILE 36 -5.957 -6.167 -1.328 298 HD12 ILE 36 HD12 ILE 36 -4.572 -5.700 -2.308 299 HD13 ILE 36 HD13 ILE 36 -5.898 -4.540 -2.070 300 HA PRO 37 HA PRO 37 -8.470 -4.263 -8.511 301 HB2 PRO 37 HB2 PRO 37 -11.163 -3.000 -8.231 302 HB3 PRO 37 HB3 PRO 37 -10.523 -3.974 -9.586 303 HG2 PRO 37 HG2 PRO 37 -12.443 -4.929 -7.881 304 HG3 PRO 37 HG3 PRO 37 -11.162 -5.987 -8.562 305 HD2 PRO 37 HD2 PRO 37 -11.226 -4.634 -5.848 306 HD3 PRO 37 HD3 PRO 37 -10.829 -6.329 -6.279 307 HA PRO 38 HA PRO 38 -7.712 -0.162 -6.739 308 HB2 PRO 38 HB2 PRO 38 -7.604 1.516 -8.874 309 HB3 PRO 38 HB3 PRO 38 -6.453 0.170 -8.719 310 HG2 PRO 38 HG2 PRO 38 -8.983 0.297 -10.377 311 HG3 PRO 38 HG3 PRO 38 -7.370 -0.304 -10.865 312 HD2 PRO 38 HD2 PRO 38 -9.444 -1.934 -9.982 313 HD3 PRO 38 HD3 PRO 38 -7.722 -2.361 -9.807 314 H ASP 39 H ASP 39 -10.250 -0.961 -6.196 315 HA ASP 39 HA ASP 39 -11.939 1.448 -6.309 316 HB2 ASP 39 HB2 ASP 39 -12.602 -0.160 -8.168 317 HB3 ASP 39 HB3 ASP 39 -12.941 -1.364 -6.931 318 H GLN 40 H GLN 40 -12.683 1.751 -4.296 319 HA GLN 40 HA GLN 40 -12.870 1.575 -2.032 320 HB2 GLN 40 HB2 GLN 40 -13.537 -1.359 -2.511 321 HB3 GLN 40 HB3 GLN 40 -13.938 -0.387 -1.118 322 HG2 GLN 40 HG2 GLN 40 -15.136 -0.294 -3.884 323 HG3 GLN 40 HG3 GLN 40 -15.927 -0.662 -2.366 324 HE21 GLN 40 HE21 GLN 40 -16.091 3.094 -3.738 325 HE22 GLN 40 HE22 GLN 40 -15.260 1.804 -4.637 326 H ASN 41 H ASN 41 -10.306 1.666 -2.825 327 HA ASN 41 HA ASN 41 -8.945 0.067 -0.798 328 HB2 ASN 41 HB2 ASN 41 -9.058 -1.391 -2.899 329 HB3 ASN 41 HB3 ASN 41 -8.169 -0.133 -3.754 330 HD21 ASN 41 HD21 ASN 41 -6.223 -2.378 -0.910 331 HD22 ASN 41 HD22 ASN 41 -7.958 -2.163 -0.725 332 H ARG 42 H ARG 42 -7.371 1.332 0.086 333 HA ARG 42 HA ARG 42 -5.849 3.288 -1.482 334 HB2 ARG 42 HB2 ARG 42 -7.858 4.517 -0.669 335 HB3 ARG 42 HB3 ARG 42 -7.501 4.019 0.990 336 HG2 ARG 42 HG2 ARG 42 -5.393 5.280 0.945 337 HG3 ARG 42 HG3 ARG 42 -5.640 5.716 -0.749 338 HD2 ARG 42 HD2 ARG 42 -7.631 6.449 1.443 339 HD3 ARG 42 HD3 ARG 42 -6.241 7.462 1.073 340 HE ARG 42 HE ARG 42 -8.687 7.179 -0.492 341 HH11 ARG 42 HH11 ARG 42 -5.265 8.147 -0.737 342 HH12 ARG 42 HH12 ARG 42 -5.595 9.369 -1.929 343 HH21 ARG 42 HH21 ARG 42 -9.060 8.716 -2.092 344 HH22 ARG 42 HH22 ARG 42 -7.766 9.672 -2.754 345 H LEU 43 H LEU 43 -3.749 3.375 -0.616 346 HA LEU 43 HA LEU 43 -3.079 1.368 1.428 347 HB2 LEU 43 HB2 LEU 43 -1.918 1.586 -0.808 348 HB3 LEU 43 HB3 LEU 43 -1.381 3.193 -0.320 349 HG LEU 43 HG LEU 43 -0.177 2.083 1.633 350 HD11 LEU 43 HD11 LEU 43 -1.375 -0.093 1.670 351 HD12 LEU 43 HD12 LEU 43 -0.723 -0.462 0.053 352 HD13 LEU 43 HD13 LEU 43 0.363 -0.314 1.438 353 HD21 LEU 43 HD21 LEU 43 1.713 1.361 0.175 354 HD22 LEU 43 HD22 LEU 43 0.609 1.297 -1.213 355 HD23 LEU 43 HD23 LEU 43 0.961 2.843 -0.414 356 H ILE 44 H ILE 44 -2.251 1.850 3.478 357 HA ILE 44 HA ILE 44 -1.845 4.709 4.200 358 HB ILE 44 HB ILE 44 -3.171 2.687 6.007 359 HG12 ILE 44 HG12 ILE 44 -4.685 2.720 4.067 360 HG13 ILE 44 HG13 ILE 44 -5.386 3.291 5.547 361 HG21 ILE 44 HG21 ILE 44 -4.072 4.663 7.175 362 HG22 ILE 44 HG22 ILE 44 -2.309 4.695 7.078 363 HG23 ILE 44 HG23 ILE 44 -3.273 5.720 6.006 364 HD11 ILE 44 HD11 ILE 44 -6.006 4.594 3.453 365 HD12 ILE 44 HD12 ILE 44 -5.447 5.548 4.830 366 HD13 ILE 44 HD13 ILE 44 -4.370 5.236 3.457 367 H PHE 45 H PHE 45 -0.154 5.015 5.732 368 HA PHE 45 HA PHE 45 1.247 2.626 6.839 369 HB2 PHE 45 HB2 PHE 45 2.552 3.289 4.914 370 HB3 PHE 45 HB3 PHE 45 2.389 4.990 5.319 371 HD1 PHE 45 HD1 PHE 45 3.746 1.799 6.901 372 HD2 PHE 45 HD2 PHE 45 4.158 6.065 6.366 373 HE1 PHE 45 HE1 PHE 45 5.854 1.777 8.199 374 HE2 PHE 45 HE2 PHE 45 6.282 6.014 7.636 375 HZ PHE 45 HZ PHE 45 7.125 3.878 8.567 376 H ALA 46 H ALA 46 1.219 2.897 9.050 377 HA ALA 46 HA ALA 46 0.893 3.847 11.083 378 HB1 ALA 46 HB1 ALA 46 3.266 4.362 10.546 379 HB2 ALA 46 HB2 ALA 46 2.770 5.969 9.981 380 HB3 ALA 46 HB3 ALA 46 2.531 5.516 11.682 381 H GLY 47 H GLY 47 -1.224 4.434 9.376 382 HA2 GLY 47 HA2 GLY 47 -3.187 5.674 9.548 383 HA3 GLY 47 HA3 GLY 47 -2.383 6.767 10.671 384 H LYS 48 H LYS 48 -0.190 6.997 8.301 385 HA LYS 48 HA LYS 48 -1.433 9.397 7.150 386 HB2 LYS 48 HB2 LYS 48 0.858 9.554 7.824 387 HB3 LYS 48 HB3 LYS 48 1.323 8.108 6.922 388 HG2 LYS 48 HG2 LYS 48 1.105 9.152 4.832 389 HG3 LYS 48 HG3 LYS 48 0.157 10.498 5.468 390 HD2 LYS 48 HD2 LYS 48 2.896 10.153 6.653 391 HD3 LYS 48 HD3 LYS 48 2.841 10.605 4.949 392 HE2 LYS 48 HE2 LYS 48 1.310 12.495 5.504 393 HE3 LYS 48 HE3 LYS 48 1.422 12.079 7.221 394 HZ1 LYS 48 HZ1 LYS 48 3.645 12.948 5.474 395 HZ2 LYS 48 HZ2 LYS 48 2.956 13.836 6.640 396 HZ3 LYS 48 HZ3 LYS 48 3.804 12.518 7.083 397 H GLN 49 H GLN 49 -2.676 9.238 5.388 398 HA GLN 49 HA GLN 49 -2.899 6.738 3.938 399 HB2 GLN 49 HB2 GLN 49 -4.229 9.318 3.071 400 HB3 GLN 49 HB3 GLN 49 -4.740 7.656 2.841 401 HG2 GLN 49 HG2 GLN 49 -6.202 8.329 4.503 402 HG3 GLN 49 HG3 GLN 49 -4.934 7.586 5.479 403 HE21 GLN 49 HE21 GLN 49 -5.808 10.875 7.001 404 HE22 GLN 49 HE22 GLN 49 -6.533 9.273 6.832 405 H LEU 50 H LEU 50 -2.127 6.272 1.933 406 HA LEU 50 HA LEU 50 -0.277 8.188 0.634 407 HB2 LEU 50 HB2 LEU 50 -0.165 5.168 0.479 408 HB3 LEU 50 HB3 LEU 50 1.089 6.329 0.066 409 HG LEU 50 HG LEU 50 0.163 5.622 2.898 410 HD11 LEU 50 HD11 LEU 50 2.427 4.506 2.960 411 HD12 LEU 50 HD12 LEU 50 1.246 3.754 1.887 412 HD13 LEU 50 HD13 LEU 50 2.528 4.754 1.204 413 HD21 LEU 50 HD21 LEU 50 1.122 7.949 2.687 414 HD22 LEU 50 HD22 LEU 50 2.093 6.859 3.691 415 HD23 LEU 50 HD23 LEU 50 2.595 7.217 2.022 416 H GLU 51 H GLU 51 -0.167 7.955 -1.692 417 HA GLU 51 HA GLU 51 -2.006 6.263 -3.093 418 HB2 GLU 51 HB2 GLU 51 -3.286 7.953 -4.182 419 HB3 GLU 51 HB3 GLU 51 -3.507 8.067 -2.439 420 HG2 GLU 51 HG2 GLU 51 -1.613 9.931 -2.649 421 HG3 GLU 51 HG3 GLU 51 -2.132 9.963 -4.340 422 H ASP 52 H ASP 52 -1.817 6.959 -5.507 423 HA ASP 52 HA ASP 52 0.921 6.699 -6.218 424 HB2 ASP 52 HB2 ASP 52 0.048 6.638 -8.557 425 HB3 ASP 52 HB3 ASP 52 -0.622 5.454 -7.442 426 H GLY 53 H GLY 53 1.910 7.861 -7.983 427 HA2 GLY 53 HA2 GLY 53 2.470 9.810 -9.117 428 HA3 GLY 53 HA3 GLY 53 1.520 10.783 -7.982 429 H ARG 54 H ARG 54 2.703 9.231 -5.648 430 HA ARG 54 HA ARG 54 5.359 10.631 -5.520 431 HB2 ARG 54 HB2 ARG 54 3.266 9.985 -3.426 432 HB3 ARG 54 HB3 ARG 54 4.929 10.457 -3.005 433 HG2 ARG 54 HG2 ARG 54 4.553 12.533 -4.454 434 HG3 ARG 54 HG3 ARG 54 2.855 12.061 -4.526 435 HD2 ARG 54 HD2 ARG 54 3.166 11.945 -1.855 436 HD3 ARG 54 HD3 ARG 54 4.471 13.090 -2.208 437 HE ARG 54 HE ARG 54 2.134 13.932 -3.594 438 HH11 ARG 54 HH11 ARG 54 3.490 13.781 -0.303 439 HH12 ARG 54 HH12 ARG 54 2.596 15.187 0.228 440 HH21 ARG 54 HH21 ARG 54 0.638 15.534 -2.673 441 HH22 ARG 54 HH22 ARG 54 1.000 16.099 -1.078 442 H THR 55 H THR 55 6.987 9.546 -4.007 443 HA THR 55 HA THR 55 6.894 6.605 -4.443 444 HB THR 55 HB THR 55 9.297 6.680 -4.666 445 HG1 THR 55 HG1 THR 55 9.077 9.509 -4.269 446 HG21 THR 55 HG21 THR 55 9.527 7.852 -6.803 447 HG22 THR 55 HG22 THR 55 8.011 6.976 -6.708 448 HG23 THR 55 HG23 THR 55 8.032 8.749 -6.513 449 H LEU 56 H LEU 56 8.293 5.362 -2.977 450 HA LEU 56 HA LEU 56 7.402 5.592 -0.323 451 HB2 LEU 56 HB2 LEU 56 9.688 4.062 -1.574 452 HB3 LEU 56 HB3 LEU 56 9.486 4.112 0.174 453 HG LEU 56 HG LEU 56 7.055 3.331 -0.226 454 HD11 LEU 56 HD11 LEU 56 8.292 2.648 -2.920 455 HD12 LEU 56 HD12 LEU 56 6.819 1.902 -2.302 456 HD13 LEU 56 HD13 LEU 56 6.850 3.637 -2.636 457 HD21 LEU 56 HD21 LEU 56 9.394 1.495 -0.831 458 HD22 LEU 56 HD22 LEU 56 8.754 1.931 0.779 459 HD23 LEU 56 HD23 LEU 56 7.772 0.968 -0.327 460 H SER 57 H SER 57 10.403 6.850 -1.754 461 HA SER 57 HA SER 57 11.695 7.737 0.601 462 HB2 SER 57 HB2 SER 57 12.766 7.437 -1.593 463 HB3 SER 57 HB3 SER 57 11.790 8.740 -2.279 464 HG SER 57 HG SER 57 13.897 9.313 -1.785 465 H ASP 58 H ASP 58 9.371 9.428 -1.619 466 HA ASP 58 HA ASP 58 9.475 11.951 -0.334 467 HB2 ASP 58 HB2 ASP 58 7.107 10.730 -1.794 468 HB3 ASP 58 HB3 ASP 58 7.311 12.428 -1.372 469 H TYR 59 H TYR 59 7.286 9.166 0.142 470 HA TYR 59 HA TYR 59 5.973 10.353 2.449 471 HB2 TYR 59 HB2 TYR 59 6.023 7.533 1.303 472 HB3 TYR 59 HB3 TYR 59 5.010 8.021 2.653 473 HD1 TYR 59 HD1 TYR 59 3.453 10.169 2.211 474 HD2 TYR 59 HD2 TYR 59 4.992 7.507 -0.821 475 HE1 TYR 59 HE1 TYR 59 1.522 10.693 0.787 476 HE2 TYR 59 HE2 TYR 59 3.072 8.064 -2.267 477 HH TYR 59 HH TYR 59 1.089 9.205 -2.486 478 H ASN 60 H ASN 60 9.038 8.980 2.129 479 HA ASN 60 HA ASN 60 10.607 8.138 3.435 480 HB2 ASN 60 HB2 ASN 60 10.277 10.323 4.497 481 HB3 ASN 60 HB3 ASN 60 9.155 9.573 5.646 482 HD21 ASN 60 HD21 ASN 60 11.846 8.931 7.835 483 HD22 ASN 60 HD22 ASN 60 10.251 9.623 7.547 484 H ILE 61 H ILE 61 8.897 6.224 2.817 485 HA ILE 61 HA ILE 61 8.070 4.708 5.211 486 HB ILE 61 HB ILE 61 7.958 4.140 2.216 487 HG12 ILE 61 HG12 ILE 61 5.676 4.735 4.163 488 HG13 ILE 61 HG13 ILE 61 6.476 5.994 3.234 489 HG21 ILE 61 HG21 ILE 61 6.747 2.513 4.510 490 HG22 ILE 61 HG22 ILE 61 6.475 2.227 2.778 491 HG23 ILE 61 HG23 ILE 61 8.079 1.996 3.452 492 HD11 ILE 61 HD11 ILE 61 4.860 3.708 2.096 493 HD12 ILE 61 HD12 ILE 61 4.522 5.450 2.062 494 HD13 ILE 61 HD13 ILE 61 5.864 4.803 1.118 495 H GLN 62 H GLN 62 9.398 3.249 6.179 496 HA GLN 62 HA GLN 62 12.108 2.848 5.063 497 HB2 GLN 62 HB2 GLN 62 11.005 1.900 7.741 498 HB3 GLN 62 HB3 GLN 62 12.694 2.001 7.242 499 HG2 GLN 62 HG2 GLN 62 10.815 4.278 7.909 500 HG3 GLN 62 HG3 GLN 62 12.296 3.801 8.737 501 HE21 GLN 62 HE21 GLN 62 12.555 6.667 5.995 502 HE22 GLN 62 HE22 GLN 62 11.085 6.172 6.771 503 H LYS 63 H LYS 63 13.061 0.655 5.456 504 HA LYS 63 HA LYS 63 11.631 -1.320 3.938 505 HB2 LYS 63 HB2 LYS 63 13.613 -2.612 4.116 506 HB3 LYS 63 HB3 LYS 63 14.122 -0.947 3.908 507 HG2 LYS 63 HG2 LYS 63 14.562 -0.773 6.367 508 HG3 LYS 63 HG3 LYS 63 14.040 -2.454 6.569 509 HD2 LYS 63 HD2 LYS 63 15.839 -3.089 4.867 510 HD3 LYS 63 HD3 LYS 63 16.432 -1.427 5.021 511 HE2 LYS 63 HE2 LYS 63 16.686 -1.806 7.473 512 HE3 LYS 63 HE3 LYS 63 16.124 -3.479 7.269 513 HZ1 LYS 63 HZ1 LYS 63 18.470 -2.392 5.857 514 HZ2 LYS 63 HZ2 LYS 63 18.610 -3.028 7.331 515 HZ3 LYS 63 HZ3 LYS 63 18.100 -3.977 6.066 516 H GLU 64 H GLU 64 11.158 -3.535 4.678 517 HA GLU 64 HA GLU 64 9.886 -4.863 5.909 518 HB2 GLU 64 HB2 GLU 64 12.062 -4.111 7.891 519 HB3 GLU 64 HB3 GLU 64 10.898 -5.414 8.132 520 HG2 GLU 64 HG2 GLU 64 12.757 -6.496 7.276 521 HG3 GLU 64 HG3 GLU 64 11.626 -6.426 5.946 522 H SER 65 H SER 65 8.680 -2.306 5.689 523 HA SER 65 HA SER 65 7.487 -1.693 8.284 524 HB2 SER 65 HB2 SER 65 6.230 -0.020 6.761 525 HB3 SER 65 HB3 SER 65 7.952 0.232 7.080 526 HG SER 65 HG SER 65 8.401 -0.065 5.073 527 H THR 66 H THR 66 5.006 -1.581 8.421 528 HA THR 66 HA THR 66 3.699 -3.675 6.786 529 HB THR 66 HB THR 66 3.228 -3.332 9.754 530 HG1 THR 66 HG1 THR 66 4.303 -5.504 9.683 531 HG21 THR 66 HG21 THR 66 2.492 -5.625 7.866 532 HG22 THR 66 HG22 THR 66 1.963 -5.378 9.540 533 HG23 THR 66 HG23 THR 66 1.389 -4.306 8.263 534 H LEU 67 H LEU 67 2.373 -2.578 5.538 535 HA LEU 67 HA LEU 67 1.098 -0.062 6.470 536 HB2 LEU 67 HB2 LEU 67 1.414 -1.405 3.756 537 HB3 LEU 67 HB3 LEU 67 0.505 0.064 4.020 538 HG LEU 67 HG LEU 67 2.668 1.044 5.042 539 HD11 LEU 67 HD11 LEU 67 4.785 0.147 3.959 540 HD12 LEU 67 HD12 LEU 67 4.163 -0.862 5.242 541 HD13 LEU 67 HD13 LEU 67 3.885 -1.325 3.551 542 HD21 LEU 67 HD21 LEU 67 3.464 1.742 2.831 543 HD22 LEU 67 HD22 LEU 67 2.600 0.395 2.074 544 HD23 LEU 67 HD23 LEU 67 1.701 1.708 2.884 545 H HIS 68 H HIS 68 -1.218 0.226 5.563 546 HA HIS 68 HA HIS 68 -2.939 -2.167 6.082 547 HB2 HIS 68 HB2 HIS 68 -3.200 0.713 7.028 548 HB3 HIS 68 HB3 HIS 68 -4.611 -0.300 6.817 549 HD1 HIS 68 HD1 HIS 68 -1.573 0.035 9.195 550 HD2 HIS 68 HD2 HIS 68 -5.222 -2.047 8.679 551 HE1 HIS 68 HE1 HIS 68 -2.148 -0.959 11.426 552 H LEU 69 H LEU 69 -4.945 -2.140 4.797 553 HA LEU 69 HA LEU 69 -4.980 -0.191 2.538 554 HB2 LEU 69 HB2 LEU 69 -5.551 -3.172 2.514 555 HB3 LEU 69 HB3 LEU 69 -6.051 -2.054 1.236 556 HG LEU 69 HG LEU 69 -3.166 -2.224 2.008 557 HD11 LEU 69 HD11 LEU 69 -4.660 -3.993 0.019 558 HD12 LEU 69 HD12 LEU 69 -2.897 -3.885 0.136 559 HD13 LEU 69 HD13 LEU 69 -3.826 -4.528 1.494 560 HD21 LEU 69 HD21 LEU 69 -4.484 -1.546 -0.655 561 HD22 LEU 69 HD22 LEU 69 -4.002 -0.348 0.541 562 HD23 LEU 69 HD23 LEU 69 -2.785 -1.375 -0.220 563 H VAL 70 H VAL 70 -6.898 1.020 2.635 564 HA VAL 70 HA VAL 70 -9.290 -0.271 3.817 565 HB VAL 70 HB VAL 70 -9.718 1.549 5.315 566 HG11 VAL 70 HG11 VAL 70 -6.755 0.979 5.732 567 HG12 VAL 70 HG12 VAL 70 -7.969 1.443 6.935 568 HG13 VAL 70 HG13 VAL 70 -8.056 -0.150 6.168 569 HG21 VAL 70 HG21 VAL 70 -7.288 2.917 4.137 570 HG22 VAL 70 HG22 VAL 70 -8.964 3.473 4.049 571 HG23 VAL 70 HG23 VAL 70 -8.143 3.468 5.607 572 H LEU 71 H LEU 71 -11.224 1.262 3.634 573 HA LEU 71 HA LEU 71 -11.237 2.944 1.212 574 HB2 LEU 71 HB2 LEU 71 -13.135 1.797 0.302 575 HB3 LEU 71 HB3 LEU 71 -11.923 0.594 0.624 576 HG LEU 71 HG LEU 71 -13.623 0.791 2.975 577 HD11 LEU 71 HD11 LEU 71 -15.310 1.713 1.310 578 HD12 LEU 71 HD12 LEU 71 -15.250 0.153 0.493 579 HD13 LEU 71 HD13 LEU 71 -15.781 0.248 2.168 580 HD21 LEU 71 HD21 LEU 71 -13.266 -1.424 0.935 581 HD22 LEU 71 HD22 LEU 71 -12.374 -1.189 2.453 582 HD23 LEU 71 HD23 LEU 71 -14.096 -1.575 2.497 583 H ARG 72 H ARG 72 -13.874 3.567 1.154 584 HA ARG 72 HA ARG 72 -15.095 3.991 3.700 585 HB2 ARG 72 HB2 ARG 72 -13.277 5.983 3.133 586 HB3 ARG 72 HB3 ARG 72 -14.677 6.601 2.245 587 HG2 ARG 72 HG2 ARG 72 -14.854 7.529 4.434 588 HG3 ARG 72 HG3 ARG 72 -16.014 6.193 4.398 589 HD2 ARG 72 HD2 ARG 72 -13.958 4.773 5.304 590 HD3 ARG 72 HD3 ARG 72 -13.289 6.350 5.731 591 HE ARG 72 HE ARG 72 -15.757 6.498 6.824 592 HH11 ARG 72 HH11 ARG 72 -13.574 3.608 6.935 593 HH12 ARG 72 HH12 ARG 72 -14.132 3.235 8.526 594 HH21 ARG 72 HH21 ARG 72 -16.385 5.864 8.827 595 HH22 ARG 72 HH22 ARG 72 -15.645 4.526 9.671 596 H LEU 73 H LEU 73 -17.264 3.892 3.279 597 HA LEU 73 HA LEU 73 -18.283 4.475 0.555 598 HB2 LEU 73 HB2 LEU 73 -17.656 1.932 1.304 599 HB3 LEU 73 HB3 LEU 73 -19.246 2.013 2.028 600 HG LEU 73 HG LEU 73 -18.620 2.568 -0.913 601 HD11 LEU 73 HD11 LEU 73 -19.505 0.296 -1.326 602 HD12 LEU 73 HD12 LEU 73 -18.065 0.249 -0.294 603 HD13 LEU 73 HD13 LEU 73 -19.682 0.066 0.438 604 HD21 LEU 73 HD21 LEU 73 -21.267 2.033 0.504 605 HD22 LEU 73 HD22 LEU 73 -20.756 3.552 -0.312 606 HD23 LEU 73 HD23 LEU 73 -21.050 2.108 -1.255 607 H ARG 74 H ARG 74 -20.404 5.402 0.691 608 HA ARG 74 HA ARG 74 -21.423 5.843 3.464 609 HB2 ARG 74 HB2 ARG 74 -21.722 7.478 0.930 610 HB3 ARG 74 HB3 ARG 74 -22.554 7.845 2.431 611 HG2 ARG 74 HG2 ARG 74 -19.518 7.764 2.051 612 HG3 ARG 74 HG3 ARG 74 -20.507 9.214 2.089 613 HD2 ARG 74 HD2 ARG 74 -20.215 7.251 4.414 614 HD3 ARG 74 HD3 ARG 74 -19.325 8.743 4.256 615 HE ARG 74 HE ARG 74 -22.120 8.394 5.030 616 HH11 ARG 74 HH11 ARG 74 -19.714 10.723 3.836 617 HH12 ARG 74 HH12 ARG 74 -20.473 12.082 4.598 618 HH21 ARG 74 HH21 ARG 74 -23.112 10.219 5.996 619 HH22 ARG 74 HH22 ARG 74 -22.616 11.826 5.614 620 H GLY 75 H GLY 75 -22.051 3.832 0.898 621 HA2 GLY 75 HA2 GLY 75 -24.986 3.866 1.145 622 HA3 GLY 75 HA3 GLY 75 -23.993 2.859 0.080 623 H GLY 76 H GLY 76 -22.917 2.994 3.434 624 HA2 GLY 76 HA2 GLY 76 -24.398 1.144 4.798 625 HA3 GLY 76 HA3 GLY 76 -23.237 0.189 3.848 Start of MODEL 11 1 H1 MET 1 H MET 1 14.794 -5.275 -0.725 2 HA MET 1 HA MET 1 14.070 -4.344 1.988 3 HB2 MET 1 HB2 MET 1 14.883 -2.414 1.016 4 HB3 MET 1 HB3 MET 1 14.157 -2.730 -0.564 5 HG2 MET 1 HG2 MET 1 11.942 -2.273 0.309 6 HG3 MET 1 HG3 MET 1 12.563 -2.176 1.958 7 HE1 MET 1 HE1 MET 1 11.489 1.516 1.274 8 HE2 MET 1 HE2 MET 1 10.685 -0.049 0.988 9 HE3 MET 1 HE3 MET 1 11.542 0.244 2.508 10 H GLN 2 H GLN 2 12.229 -5.439 2.588 11 HA GLN 2 HA GLN 2 10.183 -5.706 0.469 12 HB2 GLN 2 HB2 GLN 2 9.432 -7.802 1.536 13 HB3 GLN 2 HB3 GLN 2 10.999 -7.932 0.745 14 HG2 GLN 2 HG2 GLN 2 12.166 -7.975 2.845 15 HG3 GLN 2 HG3 GLN 2 10.729 -7.467 3.737 16 HE21 GLN 2 HE21 GLN 2 9.492 -10.765 4.148 17 HE22 GLN 2 HE22 GLN 2 9.231 -9.032 4.371 18 H ILE 3 H ILE 3 7.984 -5.662 1.326 19 HA ILE 3 HA ILE 3 7.768 -4.365 4.007 20 HB ILE 3 HB ILE 3 6.199 -2.696 3.180 21 HG12 ILE 3 HG12 ILE 3 6.989 -3.472 0.338 22 HG13 ILE 3 HG13 ILE 3 5.492 -3.987 1.103 23 HG21 ILE 3 HG21 ILE 3 7.845 -1.157 2.248 24 HG22 ILE 3 HG22 ILE 3 8.616 -2.184 3.460 25 HG23 ILE 3 HG23 ILE 3 8.886 -2.509 1.750 26 HD11 ILE 3 HD11 ILE 3 5.087 -2.060 -0.303 27 HD12 ILE 3 HD12 ILE 3 4.761 -1.666 1.390 28 HD13 ILE 3 HD13 ILE 3 6.247 -1.083 0.609 29 H PHE 4 H PHE 4 5.374 -4.299 4.683 30 HA PHE 4 HA PHE 4 4.012 -6.724 3.716 31 HB2 PHE 4 HB2 PHE 4 4.041 -5.602 6.536 32 HB3 PHE 4 HB3 PHE 4 3.193 -7.038 6.011 33 HD1 PHE 4 HD1 PHE 4 4.509 -9.104 5.335 34 HD2 PHE 4 HD2 PHE 4 6.328 -5.689 7.248 35 HE1 PHE 4 HE1 PHE 4 6.415 -10.522 6.064 36 HE2 PHE 4 HE2 PHE 4 8.228 -7.104 7.961 37 HZ PHE 4 HZ PHE 4 8.270 -9.527 7.397 38 H VAL 5 H VAL 5 1.695 -6.576 3.673 39 HA VAL 5 HA VAL 5 0.565 -3.936 4.311 40 HB VAL 5 HB VAL 5 -0.098 -5.208 1.647 41 HG11 VAL 5 HG11 VAL 5 -1.749 -3.651 2.633 42 HG12 VAL 5 HG12 VAL 5 -0.495 -2.422 2.853 43 HG13 VAL 5 HG13 VAL 5 -0.966 -2.914 1.220 44 HG21 VAL 5 HG21 VAL 5 1.242 -3.433 0.550 45 HG22 VAL 5 HG22 VAL 5 1.904 -2.947 2.126 46 HG23 VAL 5 HG23 VAL 5 2.262 -4.539 1.450 47 H LYS 6 H LYS 6 -1.301 -4.129 5.408 48 HA LYS 6 HA LYS 6 -2.523 -6.843 5.709 49 HB2 LYS 6 HB2 LYS 6 -1.950 -5.550 7.750 50 HB3 LYS 6 HB3 LYS 6 -2.960 -4.229 7.201 51 HG2 LYS 6 HG2 LYS 6 -4.158 -5.441 8.889 52 HG3 LYS 6 HG3 LYS 6 -4.977 -5.671 7.369 53 HD2 LYS 6 HD2 LYS 6 -4.937 -7.745 8.670 54 HD3 LYS 6 HD3 LYS 6 -4.086 -7.922 7.158 55 HE2 LYS 6 HE2 LYS 6 -2.803 -9.071 8.758 56 HE3 LYS 6 HE3 LYS 6 -1.903 -7.600 8.408 57 HZ1 LYS 6 HZ1 LYS 6 -2.868 -6.674 10.486 58 HZ2 LYS 6 HZ2 LYS 6 -3.604 -8.139 10.749 59 HZ3 LYS 6 HZ3 LYS 6 -1.971 -8.048 10.747 60 H THR 7 H THR 7 -4.289 -7.364 4.397 61 HA THR 7 HA THR 7 -5.710 -5.241 2.946 62 HB THR 7 HB THR 7 -6.793 -7.155 1.820 63 HG1 THR 7 HG1 THR 7 -6.680 -9.098 2.607 64 HG21 THR 7 HG21 THR 7 -4.628 -6.401 0.915 65 HG22 THR 7 HG22 THR 7 -3.766 -7.523 1.997 66 HG23 THR 7 HG23 THR 7 -4.826 -8.150 0.729 67 H LEU 8 H LEU 8 -8.151 -5.382 2.817 68 HA LEU 8 HA LEU 8 -9.434 -5.210 5.348 69 HB2 LEU 8 HB2 LEU 8 -11.400 -4.733 4.142 70 HB3 LEU 8 HB3 LEU 8 -10.123 -3.934 3.310 71 HG LEU 8 HG LEU 8 -11.708 -6.406 2.497 72 HD11 LEU 8 HD11 LEU 8 -12.646 -4.179 2.013 73 HD12 LEU 8 HD12 LEU 8 -11.175 -3.735 1.119 74 HD13 LEU 8 HD13 LEU 8 -12.223 -5.026 0.525 75 HD21 LEU 8 HD21 LEU 8 -9.295 -5.408 0.932 76 HD22 LEU 8 HD22 LEU 8 -9.413 -6.983 1.758 77 HD23 LEU 8 HD23 LEU 8 -10.464 -6.614 0.403 78 H THR 9 H THR 9 -8.512 -8.029 3.817 79 HA THR 9 HA THR 9 -10.856 -9.586 4.739 80 HB THR 9 HB THR 9 -9.580 -11.396 3.400 81 HG1 THR 9 HG1 THR 9 -8.310 -10.606 1.752 82 HG21 THR 9 HG21 THR 9 -10.718 -8.949 1.956 83 HG22 THR 9 HG22 THR 9 -10.613 -10.592 1.298 84 HG23 THR 9 HG23 THR 9 -11.660 -10.264 2.688 85 H GLY 10 H GLY 10 -7.720 -8.554 5.640 86 HA2 GLY 10 HA2 GLY 10 -6.823 -8.820 7.733 87 HA3 GLY 10 HA3 GLY 10 -7.629 -10.377 7.930 88 H LYS 11 H LYS 11 -6.233 -10.234 4.783 89 HA LYS 11 HA LYS 11 -4.174 -12.152 5.650 90 HB2 LYS 11 HB2 LYS 11 -5.148 -10.957 3.022 91 HB3 LYS 11 HB3 LYS 11 -3.592 -11.725 3.043 92 HG2 LYS 11 HG2 LYS 11 -5.996 -13.215 4.132 93 HG3 LYS 11 HG3 LYS 11 -5.787 -13.053 2.393 94 HD2 LYS 11 HD2 LYS 11 -3.752 -14.282 4.299 95 HD3 LYS 11 HD3 LYS 11 -4.850 -15.176 3.260 96 HE2 LYS 11 HE2 LYS 11 -2.553 -13.392 2.349 97 HE3 LYS 11 HE3 LYS 11 -2.645 -15.152 2.261 98 HZ1 LYS 11 HZ1 LYS 11 -4.291 -13.236 0.700 99 HZ2 LYS 11 HZ2 LYS 11 -3.150 -14.247 0.135 100 HZ3 LYS 11 HZ3 LYS 11 -4.530 -14.875 0.712 101 H THR 12 H THR 12 -1.870 -11.794 5.062 102 HA THR 12 HA THR 12 -1.115 -8.934 5.031 103 HB THR 12 HB THR 12 0.349 -11.151 6.503 104 HG1 THR 12 HG1 THR 12 -0.657 -10.453 8.282 105 HG21 THR 12 HG21 THR 12 1.515 -9.207 7.551 106 HG22 THR 12 HG22 THR 12 1.755 -9.209 5.797 107 HG23 THR 12 HG23 THR 12 0.582 -8.094 6.511 108 H ILE 13 H ILE 13 0.208 -8.439 3.438 109 HA ILE 13 HA ILE 13 1.070 -10.570 1.556 110 HB ILE 13 HB ILE 13 0.911 -7.580 1.057 111 HG12 ILE 13 HG12 ILE 13 -1.346 -8.109 1.753 112 HG13 ILE 13 HG13 ILE 13 -1.298 -7.820 0.047 113 HG21 ILE 13 HG21 ILE 13 2.169 -8.832 -0.617 114 HG22 ILE 13 HG22 ILE 13 0.833 -9.974 -0.833 115 HG23 ILE 13 HG23 ILE 13 0.659 -8.274 -1.314 116 HD11 ILE 13 HD11 ILE 13 -2.776 -9.698 0.563 117 HD12 ILE 13 HD12 ILE 13 -1.387 -10.305 -0.353 118 HD13 ILE 13 HD13 ILE 13 -1.478 -10.562 1.398 119 H THR 14 H THR 14 3.220 -10.252 0.618 120 HA THR 14 HA THR 14 5.199 -8.683 2.151 121 HB THR 14 HB THR 14 5.392 -11.634 1.372 122 HG1 THR 14 HG1 THR 14 4.201 -11.020 3.289 123 HG21 THR 14 HG21 THR 14 7.432 -9.794 2.686 124 HG22 THR 14 HG22 THR 14 7.596 -11.558 2.537 125 HG23 THR 14 HG23 THR 14 7.575 -10.552 1.084 126 H LEU 15 H LEU 15 6.344 -7.468 0.572 127 HA LEU 15 HA LEU 15 6.509 -8.489 -2.200 128 HB2 LEU 15 HB2 LEU 15 5.381 -5.781 -1.347 129 HB3 LEU 15 HB3 LEU 15 6.010 -6.085 -2.956 130 HG LEU 15 HG LEU 15 3.687 -7.644 -1.772 131 HD11 LEU 15 HD11 LEU 15 2.319 -6.218 -3.315 132 HD12 LEU 15 HD12 LEU 15 3.027 -5.343 -1.947 133 HD13 LEU 15 HD13 LEU 15 3.752 -5.192 -3.555 134 HD21 LEU 15 HD21 LEU 15 4.871 -7.481 -4.576 135 HD22 LEU 15 HD22 LEU 15 4.765 -8.905 -3.537 136 HD23 LEU 15 HD23 LEU 15 3.289 -8.202 -4.212 137 H GLU 16 H GLU 16 8.238 -7.628 -3.328 138 HA GLU 16 HA GLU 16 10.434 -6.478 -1.723 139 HB2 GLU 16 HB2 GLU 16 10.827 -8.523 -3.095 140 HB3 GLU 16 HB3 GLU 16 10.370 -7.628 -4.555 141 HG2 GLU 16 HG2 GLU 16 12.240 -6.002 -4.081 142 HG3 GLU 16 HG3 GLU 16 12.703 -6.986 -2.691 143 H VAL 17 H VAL 17 10.647 -4.302 -1.792 144 HA VAL 17 HA VAL 17 9.839 -2.786 -4.216 145 HB VAL 17 HB VAL 17 8.755 -1.100 -2.847 146 HG11 VAL 17 HG11 VAL 17 7.372 -3.009 -3.679 147 HG12 VAL 17 HG12 VAL 17 7.587 -3.825 -2.121 148 HG13 VAL 17 HG13 VAL 17 6.734 -2.274 -2.199 149 HG21 VAL 17 HG21 VAL 17 10.036 -1.344 -0.764 150 HG22 VAL 17 HG22 VAL 17 8.305 -1.432 -0.461 151 HG23 VAL 17 HG23 VAL 17 9.279 -2.922 -0.465 152 H GLU 18 H GLU 18 10.618 -0.264 -3.440 153 HA GLU 18 HA GLU 18 13.308 -0.431 -2.311 154 HB2 GLU 18 HB2 GLU 18 14.300 0.638 -4.277 155 HB3 GLU 18 HB3 GLU 18 13.662 -0.953 -4.686 156 HG2 GLU 18 HG2 GLU 18 11.764 -0.013 -5.834 157 HG3 GLU 18 HG3 GLU 18 12.073 1.584 -5.143 158 HA PRO 19 HA PRO 19 12.239 3.558 -0.783 159 HB2 PRO 19 HB2 PRO 19 14.788 4.741 -1.900 160 HB3 PRO 19 HB3 PRO 19 14.170 4.817 -0.228 161 HG2 PRO 19 HG2 PRO 19 16.183 3.174 -0.863 162 HG3 PRO 19 HG3 PRO 19 14.862 2.550 0.186 163 HD2 PRO 19 HD2 PRO 19 15.197 2.166 -2.808 164 HD3 PRO 19 HD3 PRO 19 14.843 0.933 -1.555 165 H SER 20 H SER 20 13.238 3.340 -4.189 166 HA SER 20 HA SER 20 11.827 5.869 -4.797 167 HB2 SER 20 HB2 SER 20 13.354 5.390 -6.962 168 HB3 SER 20 HB3 SER 20 13.910 6.255 -5.523 169 HG SER 20 HG SER 20 14.399 3.511 -6.148 170 H ASP 21 H ASP 21 10.504 3.281 -4.311 171 HA ASP 21 HA ASP 21 9.462 2.463 -6.936 172 HB2 ASP 21 HB2 ASP 21 9.892 1.130 -4.572 173 HB3 ASP 21 HB3 ASP 21 8.206 1.565 -4.366 174 H THR 22 H THR 22 7.412 3.349 -7.717 175 HA THR 22 HA THR 22 6.335 5.616 -6.175 176 HB THR 22 HB THR 22 4.656 5.672 -8.011 177 HG1 THR 22 HG1 THR 22 5.302 4.246 -9.850 178 HG21 THR 22 HG21 THR 22 7.537 5.509 -8.996 179 HG22 THR 22 HG22 THR 22 6.173 6.287 -9.833 180 HG23 THR 22 HG23 THR 22 6.731 6.933 -8.292 181 H ILE 23 H ILE 23 4.149 5.731 -5.361 182 HA ILE 23 HA ILE 23 3.333 3.348 -3.970 183 HB ILE 23 HB ILE 23 1.848 5.926 -4.535 184 HG12 ILE 23 HG12 ILE 23 3.736 6.390 -3.146 185 HG13 ILE 23 HG13 ILE 23 2.302 6.407 -2.130 186 HG21 ILE 23 HG21 ILE 23 0.121 4.335 -4.076 187 HG22 ILE 23 HG22 ILE 23 1.030 3.621 -2.735 188 HG23 ILE 23 HG23 ILE 23 0.351 5.260 -2.594 189 HD11 ILE 23 HD11 ILE 23 4.420 4.227 -2.247 190 HD12 ILE 23 HD12 ILE 23 4.088 5.348 -0.922 191 HD13 ILE 23 HD13 ILE 23 2.900 4.096 -1.323 192 H GLU 24 H GLU 24 2.581 4.664 -7.122 193 HA GLU 24 HA GLU 24 0.264 3.235 -7.814 194 HB2 GLU 24 HB2 GLU 24 1.163 5.048 -9.126 195 HB3 GLU 24 HB3 GLU 24 2.677 4.201 -9.410 196 HG2 GLU 24 HG2 GLU 24 1.598 2.566 -10.831 197 HG3 GLU 24 HG3 GLU 24 -0.009 3.190 -10.409 198 H ASN 25 H ASN 25 3.727 2.344 -8.163 199 HA ASN 25 HA ASN 25 3.249 -0.226 -9.307 200 HB2 ASN 25 HB2 ASN 25 5.635 1.190 -8.092 201 HB3 ASN 25 HB3 ASN 25 5.693 -0.563 -8.300 202 HD21 ASN 25 HD21 ASN 25 6.684 1.389 -11.516 203 HD22 ASN 25 HD22 ASN 25 7.056 1.852 -9.861 204 H VAL 26 H VAL 26 4.055 0.769 -5.947 205 HA VAL 26 HA VAL 26 3.932 -1.795 -4.792 206 HB VAL 26 HB VAL 26 3.113 0.893 -3.594 207 HG11 VAL 26 HG11 VAL 26 2.267 -0.876 -2.147 208 HG12 VAL 26 HG12 VAL 26 3.814 -1.737 -2.230 209 HG13 VAL 26 HG13 VAL 26 3.697 -0.171 -1.391 210 HG21 VAL 26 HG21 VAL 26 5.475 0.845 -4.432 211 HG22 VAL 26 HG22 VAL 26 5.355 0.991 -2.683 212 HG23 VAL 26 HG23 VAL 26 5.780 -0.568 -3.426 213 H LYS 27 H LYS 27 1.280 0.517 -5.438 214 HA LYS 27 HA LYS 27 -0.732 -1.151 -4.243 215 HB2 LYS 27 HB2 LYS 27 -0.640 1.433 -4.610 216 HB3 LYS 27 HB3 LYS 27 -1.281 1.074 -6.220 217 HG2 LYS 27 HG2 LYS 27 -3.237 -0.035 -5.063 218 HG3 LYS 27 HG3 LYS 27 -2.494 0.338 -3.504 219 HD2 LYS 27 HD2 LYS 27 -4.206 1.970 -3.933 220 HD3 LYS 27 HD3 LYS 27 -2.638 2.795 -4.072 221 HE2 LYS 27 HE2 LYS 27 -2.732 2.710 -6.502 222 HE3 LYS 27 HE3 LYS 27 -4.097 1.588 -6.445 223 HZ1 LYS 27 HZ1 LYS 27 -4.884 3.687 -7.007 224 HZ2 LYS 27 HZ2 LYS 27 -5.456 3.372 -5.522 225 HZ3 LYS 27 HZ3 LYS 27 -4.186 4.441 -5.739 226 H ALA 28 H ALA 28 0.894 -1.375 -7.286 227 HA ALA 28 HA ALA 28 -1.340 -2.739 -8.676 228 HB1 ALA 28 HB1 ALA 28 1.577 -2.477 -9.564 229 HB2 ALA 28 HB2 ALA 28 0.132 -2.745 -10.548 230 HB3 ALA 28 HB3 ALA 28 0.412 -1.171 -9.791 231 H LYS 29 H LYS 29 1.920 -3.428 -7.392 232 HA LYS 29 HA LYS 29 2.038 -6.147 -7.968 233 HB2 LYS 29 HB2 LYS 29 3.193 -4.572 -5.646 234 HB3 LYS 29 HB3 LYS 29 3.605 -6.263 -5.987 235 HG2 LYS 29 HG2 LYS 29 4.375 -5.595 -8.276 236 HG3 LYS 29 HG3 LYS 29 4.064 -3.903 -7.859 237 HD2 LYS 29 HD2 LYS 29 5.625 -4.266 -5.845 238 HD3 LYS 29 HD3 LYS 29 6.095 -5.788 -6.600 239 HE2 LYS 29 HE2 LYS 29 6.415 -2.972 -7.747 240 HE3 LYS 29 HE3 LYS 29 7.688 -4.009 -7.102 241 HZ1 LYS 29 HZ1 LYS 29 6.881 -5.586 -8.978 242 HZ2 LYS 29 HZ2 LYS 29 6.344 -4.175 -9.685 243 HZ3 LYS 29 HZ3 LYS 29 7.921 -4.369 -9.274 244 H ILE 30 H ILE 30 0.380 -4.632 -5.196 245 HA ILE 30 HA ILE 30 -0.253 -7.085 -3.879 246 HB ILE 30 HB ILE 30 -2.017 -5.763 -2.708 247 HG12 ILE 30 HG12 ILE 30 -0.992 -3.439 -4.372 248 HG13 ILE 30 HG13 ILE 30 -2.550 -4.227 -4.627 249 HG21 ILE 30 HG21 ILE 30 -0.467 -4.408 -1.429 250 HG22 ILE 30 HG22 ILE 30 0.332 -5.901 -1.908 251 HG23 ILE 30 HG23 ILE 30 0.695 -4.383 -2.766 252 HD11 ILE 30 HD11 ILE 30 -3.270 -3.537 -2.370 253 HD12 ILE 30 HD12 ILE 30 -1.729 -2.657 -2.161 254 HD13 ILE 30 HD13 ILE 30 -2.875 -2.170 -3.415 255 H GLN 31 H GLN 31 -1.739 -5.561 -6.757 256 HA GLN 31 HA GLN 31 -4.228 -7.024 -6.499 257 HB2 GLN 31 HB2 GLN 31 -3.038 -5.775 -9.009 258 HB3 GLN 31 HB3 GLN 31 -4.730 -6.176 -8.682 259 HG2 GLN 31 HG2 GLN 31 -4.608 -4.548 -6.720 260 HG3 GLN 31 HG3 GLN 31 -3.039 -4.038 -7.347 261 HE21 GLN 31 HE21 GLN 31 -6.462 -3.019 -9.427 262 HE22 GLN 31 HE22 GLN 31 -6.461 -4.347 -8.248 263 H ASP 32 H ASP 32 -1.012 -7.702 -7.694 264 HA ASP 32 HA ASP 32 -1.841 -9.965 -9.406 265 HB2 ASP 32 HB2 ASP 32 0.220 -9.323 -10.127 266 HB3 ASP 32 HB3 ASP 32 0.728 -8.736 -8.556 267 H LYS 33 H LYS 33 -0.589 -9.527 -6.057 268 HA LYS 33 HA LYS 33 -0.821 -12.383 -5.528 269 HB2 LYS 33 HB2 LYS 33 -0.094 -9.998 -3.794 270 HB3 LYS 33 HB3 LYS 33 -0.172 -11.657 -3.191 271 HG2 LYS 33 HG2 LYS 33 1.460 -12.331 -4.986 272 HG3 LYS 33 HG3 LYS 33 1.671 -10.610 -5.383 273 HD2 LYS 33 HD2 LYS 33 2.446 -10.145 -3.106 274 HD3 LYS 33 HD3 LYS 33 2.082 -11.792 -2.608 275 HE2 LYS 33 HE2 LYS 33 4.213 -10.991 -4.638 276 HE3 LYS 33 HE3 LYS 33 4.499 -11.456 -2.955 277 HZ1 LYS 33 HZ1 LYS 33 3.394 -13.620 -3.571 278 HZ2 LYS 33 HZ2 LYS 33 3.543 -13.176 -5.149 279 HZ3 LYS 33 HZ3 LYS 33 4.865 -13.389 -4.204 280 H GLU 34 H GLU 34 -3.220 -9.789 -5.125 281 HA GLU 34 HA GLU 34 -4.922 -11.764 -3.732 282 HB2 GLU 34 HB2 GLU 34 -3.718 -10.123 -2.103 283 HB3 GLU 34 HB3 GLU 34 -4.678 -8.856 -2.846 284 HG2 GLU 34 HG2 GLU 34 -5.857 -9.426 -0.906 285 HG3 GLU 34 HG3 GLU 34 -6.750 -10.273 -2.165 286 H GLY 35 H GLY 35 -7.185 -11.370 -4.201 287 HA2 GLY 35 HA2 GLY 35 -7.633 -10.011 -6.737 288 HA3 GLY 35 HA3 GLY 35 -8.800 -10.957 -5.810 289 H ILE 36 H ILE 36 -7.146 -7.830 -6.058 290 HA ILE 36 HA ILE 36 -9.475 -6.503 -4.811 291 HB ILE 36 HB ILE 36 -7.888 -4.946 -3.640 292 HG12 ILE 36 HG12 ILE 36 -5.876 -7.223 -4.024 293 HG13 ILE 36 HG13 ILE 36 -5.750 -5.635 -4.767 294 HG21 ILE 36 HG21 ILE 36 -7.936 -7.844 -2.668 295 HG22 ILE 36 HG22 ILE 36 -7.858 -6.390 -1.665 296 HG23 ILE 36 HG23 ILE 36 -9.312 -6.727 -2.583 297 HD11 ILE 36 HD11 ILE 36 -5.578 -6.235 -1.802 298 HD12 ILE 36 HD12 ILE 36 -4.290 -5.720 -2.891 299 HD13 ILE 36 HD13 ILE 36 -5.608 -4.594 -2.516 300 HA PRO 37 HA PRO 37 -8.609 -4.336 -8.711 301 HB2 PRO 37 HB2 PRO 37 -11.064 -3.263 -9.149 302 HB3 PRO 37 HB3 PRO 37 -10.798 -5.027 -9.298 303 HG2 PRO 37 HG2 PRO 37 -11.886 -3.494 -6.912 304 HG3 PRO 37 HG3 PRO 37 -12.582 -4.949 -7.697 305 HD2 PRO 37 HD2 PRO 37 -10.962 -5.069 -5.473 306 HD3 PRO 37 HD3 PRO 37 -10.971 -6.343 -6.731 307 HA PRO 38 HA PRO 38 -8.052 -0.232 -6.924 308 HB2 PRO 38 HB2 PRO 38 -8.371 1.328 -9.360 309 HB3 PRO 38 HB3 PRO 38 -6.888 0.719 -8.637 310 HG2 PRO 38 HG2 PRO 38 -8.045 -0.161 -11.059 311 HG3 PRO 38 HG3 PRO 38 -6.756 -0.987 -10.130 312 HD2 PRO 38 HD2 PRO 38 -9.711 -1.543 -10.159 313 HD3 PRO 38 HD3 PRO 38 -8.336 -2.673 -10.036 314 H ASP 39 H ASP 39 -10.469 -1.047 -6.215 315 HA ASP 39 HA ASP 39 -12.213 1.319 -6.293 316 HB2 ASP 39 HB2 ASP 39 -13.060 -0.162 -8.097 317 HB3 ASP 39 HB3 ASP 39 -13.131 -1.509 -6.955 318 H GLN 40 H GLN 40 -12.994 1.584 -4.276 319 HA GLN 40 HA GLN 40 -13.054 1.486 -1.991 320 HB2 GLN 40 HB2 GLN 40 -13.620 -1.483 -2.392 321 HB3 GLN 40 HB3 GLN 40 -13.991 -0.503 -0.982 322 HG2 GLN 40 HG2 GLN 40 -15.328 -0.499 -3.679 323 HG3 GLN 40 HG3 GLN 40 -16.041 -0.768 -2.092 324 HE21 GLN 40 HE21 GLN 40 -16.315 2.886 -3.629 325 HE22 GLN 40 HE22 GLN 40 -15.949 1.417 -4.517 326 H ASN 41 H ASN 41 -10.498 1.634 -2.915 327 HA ASN 41 HA ASN 41 -9.149 0.281 -0.752 328 HB2 ASN 41 HB2 ASN 41 -8.674 -0.329 -3.689 329 HB3 ASN 41 HB3 ASN 41 -7.323 -0.385 -2.569 330 HD21 ASN 41 HD21 ASN 41 -10.061 -3.452 -2.496 331 HD22 ASN 41 HD22 ASN 41 -10.213 -2.120 -3.608 332 H ARG 42 H ARG 42 -7.367 1.390 -0.045 333 HA ARG 42 HA ARG 42 -5.973 3.401 -1.585 334 HB2 ARG 42 HB2 ARG 42 -7.838 4.807 -0.789 335 HB3 ARG 42 HB3 ARG 42 -7.583 4.236 0.879 336 HG2 ARG 42 HG2 ARG 42 -5.314 5.230 0.869 337 HG3 ARG 42 HG3 ARG 42 -5.543 5.785 -0.787 338 HD2 ARG 42 HD2 ARG 42 -7.317 6.648 1.523 339 HD3 ARG 42 HD3 ARG 42 -5.806 7.459 1.127 340 HE ARG 42 HE ARG 42 -8.331 7.706 -0.193 341 HH11 ARG 42 HH11 ARG 42 -4.795 7.974 -0.849 342 HH12 ARG 42 HH12 ARG 42 -5.051 9.378 -1.866 343 HH21 ARG 42 HH21 ARG 42 -8.521 9.449 -1.754 344 HH22 ARG 42 HH22 ARG 42 -7.103 10.106 -2.477 345 H LEU 43 H LEU 43 -3.889 3.398 -0.815 346 HA LEU 43 HA LEU 43 -3.208 1.519 1.331 347 HB2 LEU 43 HB2 LEU 43 -2.098 1.674 -0.962 348 HB3 LEU 43 HB3 LEU 43 -1.484 3.253 -0.491 349 HG LEU 43 HG LEU 43 -0.278 2.094 1.441 350 HD11 LEU 43 HD11 LEU 43 -1.563 -0.007 1.541 351 HD12 LEU 43 HD12 LEU 43 -1.038 -0.421 -0.106 352 HD13 LEU 43 HD13 LEU 43 0.141 -0.333 1.214 353 HD21 LEU 43 HD21 LEU 43 1.515 1.206 -0.089 354 HD22 LEU 43 HD22 LEU 43 0.370 1.295 -1.440 355 HD23 LEU 43 HD23 LEU 43 0.886 2.773 -0.602 356 H ILE 44 H ILE 44 -2.343 2.130 3.320 357 HA ILE 44 HA ILE 44 -1.954 5.019 3.962 358 HB ILE 44 HB ILE 44 -3.199 2.971 5.816 359 HG12 ILE 44 HG12 ILE 44 -4.785 3.065 3.949 360 HG13 ILE 44 HG13 ILE 44 -5.415 3.646 5.466 361 HG21 ILE 44 HG21 ILE 44 -4.077 4.968 7.026 362 HG22 ILE 44 HG22 ILE 44 -2.309 4.953 6.922 363 HG23 ILE 44 HG23 ILE 44 -3.261 6.009 5.865 364 HD11 ILE 44 HD11 ILE 44 -6.152 4.980 3.492 365 HD12 ILE 44 HD12 ILE 44 -5.364 5.938 4.751 366 HD13 ILE 44 HD13 ILE 44 -4.482 5.520 3.264 367 H PHE 45 H PHE 45 -0.223 5.365 5.441 368 HA PHE 45 HA PHE 45 1.182 2.982 6.559 369 HB2 PHE 45 HB2 PHE 45 2.459 3.474 4.565 370 HB3 PHE 45 HB3 PHE 45 2.411 5.203 4.900 371 HD1 PHE 45 HD1 PHE 45 3.621 1.974 6.511 372 HD2 PHE 45 HD2 PHE 45 4.172 6.233 6.043 373 HE1 PHE 45 HE1 PHE 45 5.714 1.868 7.817 374 HE2 PHE 45 HE2 PHE 45 6.298 6.091 7.309 375 HZ PHE 45 HZ PHE 45 7.078 3.900 8.179 376 H ALA 46 H ALA 46 1.491 3.340 8.680 377 HA ALA 46 HA ALA 46 1.387 4.389 10.726 378 HB1 ALA 46 HB1 ALA 46 3.144 6.396 9.266 379 HB2 ALA 46 HB2 ALA 46 3.084 6.110 11.023 380 HB3 ALA 46 HB3 ALA 46 3.685 4.847 9.930 381 H GLY 47 H GLY 47 -0.885 4.866 9.262 382 HA2 GLY 47 HA2 GLY 47 -2.840 6.054 9.545 383 HA3 GLY 47 HA3 GLY 47 -1.961 7.234 10.517 384 H LYS 48 H LYS 48 -0.028 7.463 7.951 385 HA LYS 48 HA LYS 48 -1.458 9.755 6.882 386 HB2 LYS 48 HB2 LYS 48 0.943 9.834 7.330 387 HB3 LYS 48 HB3 LYS 48 1.251 8.525 6.189 388 HG2 LYS 48 HG2 LYS 48 0.857 9.831 4.312 389 HG3 LYS 48 HG3 LYS 48 -0.196 10.967 5.151 390 HD2 LYS 48 HD2 LYS 48 2.779 10.792 5.730 391 HD3 LYS 48 HD3 LYS 48 2.098 11.853 4.480 392 HE2 LYS 48 HE2 LYS 48 0.828 13.115 6.046 393 HE3 LYS 48 HE3 LYS 48 1.080 11.935 7.345 394 HZ1 LYS 48 HZ1 LYS 48 3.170 13.656 6.158 395 HZ2 LYS 48 HZ2 LYS 48 2.501 13.856 7.621 396 HZ3 LYS 48 HZ3 LYS 48 3.404 12.523 7.360 397 H GLN 49 H GLN 49 -2.581 9.826 5.076 398 HA GLN 49 HA GLN 49 -3.274 7.354 3.686 399 HB2 GLN 49 HB2 GLN 49 -4.015 10.262 3.072 400 HB3 GLN 49 HB3 GLN 49 -4.714 8.839 2.338 401 HG2 GLN 49 HG2 GLN 49 -6.334 9.299 3.867 402 HG3 GLN 49 HG3 GLN 49 -5.374 8.170 4.816 403 HE21 GLN 49 HE21 GLN 49 -5.317 10.640 7.393 404 HE22 GLN 49 HE22 GLN 49 -5.520 8.949 6.981 405 H LEU 50 H LEU 50 -2.464 6.680 1.674 406 HA LEU 50 HA LEU 50 -0.390 8.374 0.390 407 HB2 LEU 50 HB2 LEU 50 -0.553 5.355 0.281 408 HB3 LEU 50 HB3 LEU 50 0.767 6.394 -0.221 409 HG LEU 50 HG LEU 50 -0.069 5.799 2.653 410 HD11 LEU 50 HD11 LEU 50 1.002 3.923 1.531 411 HD12 LEU 50 HD12 LEU 50 2.313 4.962 0.943 412 HD13 LEU 50 HD13 LEU 50 2.149 4.632 2.668 413 HD21 LEU 50 HD21 LEU 50 0.899 8.100 2.449 414 HD22 LEU 50 HD22 LEU 50 1.959 6.998 3.337 415 HD23 LEU 50 HD23 LEU 50 2.308 7.395 1.639 416 H GLU 51 H GLU 51 -0.181 8.075 -1.948 417 HA GLU 51 HA GLU 51 -2.079 6.652 -3.479 418 HB2 GLU 51 HB2 GLU 51 -3.015 8.685 -4.644 419 HB3 GLU 51 HB3 GLU 51 -3.647 8.299 -3.061 420 HG2 GLU 51 HG2 GLU 51 -2.212 10.092 -2.052 421 HG3 GLU 51 HG3 GLU 51 -1.630 10.477 -3.677 422 H ASP 52 H ASP 52 -1.719 7.443 -5.834 423 HA ASP 52 HA ASP 52 1.010 7.011 -6.443 424 HB2 ASP 52 HB2 ASP 52 0.295 7.004 -8.740 425 HB3 ASP 52 HB3 ASP 52 -0.885 6.120 -7.775 426 H GLY 53 H GLY 53 2.192 8.167 -8.047 427 HA2 GLY 53 HA2 GLY 53 2.933 10.093 -9.130 428 HA3 GLY 53 HA3 GLY 53 2.028 11.117 -7.996 429 H ARG 54 H ARG 54 2.965 9.363 -5.688 430 HA ARG 54 HA ARG 54 5.731 10.458 -5.460 431 HB2 ARG 54 HB2 ARG 54 3.495 10.266 -3.423 432 HB3 ARG 54 HB3 ARG 54 5.205 10.437 -2.946 433 HG2 ARG 54 HG2 ARG 54 5.331 12.400 -4.582 434 HG3 ARG 54 HG3 ARG 54 3.582 12.267 -4.735 435 HD2 ARG 54 HD2 ARG 54 3.720 12.475 -2.073 436 HD3 ARG 54 HD3 ARG 54 5.273 13.248 -2.457 437 HE ARG 54 HE ARG 54 3.199 14.278 -4.153 438 HH11 ARG 54 HH11 ARG 54 2.463 16.353 -3.830 439 HH12 ARG 54 HH12 ARG 54 2.961 17.276 -2.429 440 HH21 ARG 54 HH21 ARG 54 4.209 14.357 -0.764 441 HH22 ARG 54 HH22 ARG 54 3.846 16.028 -0.535 442 H THR 55 H THR 55 7.105 9.337 -3.836 443 HA THR 55 HA THR 55 6.900 6.399 -4.249 444 HB THR 55 HB THR 55 9.339 6.454 -4.468 445 HG1 THR 55 HG1 THR 55 9.090 9.280 -4.067 446 HG21 THR 55 HG21 THR 55 9.594 7.868 -6.541 447 HG22 THR 55 HG22 THR 55 8.285 6.697 -6.580 448 HG23 THR 55 HG23 THR 55 7.958 8.432 -6.340 449 H LEU 56 H LEU 56 8.427 5.205 -2.727 450 HA LEU 56 HA LEU 56 7.558 5.522 -0.061 451 HB2 LEU 56 HB2 LEU 56 9.922 4.021 -1.233 452 HB3 LEU 56 HB3 LEU 56 9.696 4.159 0.504 453 HG LEU 56 HG LEU 56 7.309 3.259 0.163 454 HD11 LEU 56 HD11 LEU 56 8.538 2.697 -2.541 455 HD12 LEU 56 HD12 LEU 56 7.252 1.687 -1.905 456 HD13 LEU 56 HD13 LEU 56 6.956 3.418 -2.201 457 HD21 LEU 56 HD21 LEU 56 9.627 1.416 -0.476 458 HD22 LEU 56 HD22 LEU 56 9.145 1.956 1.158 459 HD23 LEU 56 HD23 LEU 56 8.055 0.948 0.202 460 H SER 57 H SER 57 10.477 6.797 -1.638 461 HA SER 57 HA SER 57 11.819 7.812 0.606 462 HB2 SER 57 HB2 SER 57 12.725 7.512 -1.701 463 HB3 SER 57 HB3 SER 57 11.717 8.847 -2.270 464 HG SER 57 HG SER 57 13.880 9.381 -1.877 465 H ASP 58 H ASP 58 9.338 9.397 -1.511 466 HA ASP 58 HA ASP 58 9.386 11.954 -0.294 467 HB2 ASP 58 HB2 ASP 58 7.040 10.493 -1.577 468 HB3 ASP 58 HB3 ASP 58 7.098 12.211 -1.212 469 H TYR 59 H TYR 59 7.324 9.103 0.304 470 HA TYR 59 HA TYR 59 6.052 10.332 2.610 471 HB2 TYR 59 HB2 TYR 59 5.961 7.554 1.406 472 HB3 TYR 59 HB3 TYR 59 4.998 8.041 2.796 473 HD1 TYR 59 HD1 TYR 59 3.545 10.276 2.467 474 HD2 TYR 59 HD2 TYR 59 4.946 7.732 -0.730 475 HE1 TYR 59 HE1 TYR 59 1.638 10.973 1.082 476 HE2 TYR 59 HE2 TYR 59 3.063 8.475 -2.139 477 HH TYR 59 HH TYR 59 1.224 9.911 -2.332 478 H ASN 60 H ASN 60 9.104 8.991 2.323 479 HA ASN 60 HA ASN 60 10.692 8.228 3.697 480 HB2 ASN 60 HB2 ASN 60 10.284 10.361 4.812 481 HB3 ASN 60 HB3 ASN 60 9.049 9.601 5.834 482 HD21 ASN 60 HD21 ASN 60 11.552 9.185 8.290 483 HD22 ASN 60 HD22 ASN 60 10.067 10.000 7.795 484 H ILE 61 H ILE 61 8.992 6.310 2.937 485 HA ILE 61 HA ILE 61 8.157 4.650 5.226 486 HB ILE 61 HB ILE 61 8.040 4.210 2.214 487 HG12 ILE 61 HG12 ILE 61 5.841 4.950 4.182 488 HG13 ILE 61 HG13 ILE 61 6.610 6.079 3.083 489 HG21 ILE 61 HG21 ILE 61 6.706 2.594 4.441 490 HG22 ILE 61 HG22 ILE 61 6.544 2.310 2.695 491 HG23 ILE 61 HG23 ILE 61 8.092 2.049 3.470 492 HD11 ILE 61 HD11 ILE 61 4.842 3.744 2.296 493 HD12 ILE 61 HD12 ILE 61 4.495 5.472 2.164 494 HD13 ILE 61 HD13 ILE 61 5.752 4.754 1.143 495 H GLN 62 H GLN 62 9.535 3.170 6.134 496 HA GLN 62 HA GLN 62 12.149 2.678 4.813 497 HB2 GLN 62 HB2 GLN 62 11.218 2.093 7.666 498 HB3 GLN 62 HB3 GLN 62 12.849 1.843 7.038 499 HG2 GLN 62 HG2 GLN 62 11.420 4.479 7.450 500 HG3 GLN 62 HG3 GLN 62 12.885 3.904 8.244 501 HE21 GLN 62 HE21 GLN 62 13.245 6.112 4.925 502 HE22 GLN 62 HE22 GLN 62 11.970 6.209 6.095 503 H LYS 63 H LYS 63 13.096 0.447 5.366 504 HA LYS 63 HA LYS 63 11.501 -1.467 3.919 505 HB2 LYS 63 HB2 LYS 63 13.339 -2.919 4.032 506 HB3 LYS 63 HB3 LYS 63 14.038 -1.316 3.876 507 HG2 LYS 63 HG2 LYS 63 14.493 -1.296 6.335 508 HG3 LYS 63 HG3 LYS 63 13.811 -2.934 6.467 509 HD2 LYS 63 HD2 LYS 63 15.528 -3.787 4.888 510 HD3 LYS 63 HD3 LYS 63 16.175 -2.133 4.756 511 HE2 LYS 63 HE2 LYS 63 16.368 -2.216 7.328 512 HE3 LYS 63 HE3 LYS 63 16.178 -3.967 7.182 513 HZ1 LYS 63 HZ1 LYS 63 18.248 -2.378 5.777 514 HZ2 LYS 63 HZ2 LYS 63 18.501 -3.075 7.221 515 HZ3 LYS 63 HZ3 LYS 63 18.210 -4.027 5.912 516 H GLU 64 H GLU 64 10.888 -3.588 4.695 517 HA GLU 64 HA GLU 64 9.512 -4.778 5.919 518 HB2 GLU 64 HB2 GLU 64 11.766 -4.228 7.877 519 HB3 GLU 64 HB3 GLU 64 10.414 -5.295 8.244 520 HG2 GLU 64 HG2 GLU 64 11.994 -6.767 7.439 521 HG3 GLU 64 HG3 GLU 64 10.907 -6.557 6.078 522 H SER 65 H SER 65 8.440 -2.287 5.544 523 HA SER 65 HA SER 65 7.380 -1.335 8.125 524 HB2 SER 65 HB2 SER 65 6.135 0.211 6.419 525 HB3 SER 65 HB3 SER 65 7.843 0.492 6.787 526 HG SER 65 HG SER 65 8.390 -0.029 4.847 527 H THR 66 H THR 66 4.917 -1.141 8.249 528 HA THR 66 HA THR 66 3.503 -3.345 6.825 529 HB THR 66 HB THR 66 3.536 -2.752 9.798 530 HG1 THR 66 HG1 THR 66 5.062 -4.256 9.223 531 HG21 THR 66 HG21 THR 66 1.655 -4.478 8.128 532 HG22 THR 66 HG22 THR 66 1.766 -4.494 9.909 533 HG23 THR 66 HG23 THR 66 1.209 -3.038 9.061 534 H LEU 67 H LEU 67 2.328 -2.327 5.481 535 HA LEU 67 HA LEU 67 1.060 0.276 6.149 536 HB2 LEU 67 HB2 LEU 67 1.438 -1.241 3.525 537 HB3 LEU 67 HB3 LEU 67 0.584 0.282 3.698 538 HG LEU 67 HG LEU 67 2.741 1.297 4.575 539 HD11 LEU 67 HD11 LEU 67 4.864 0.175 3.677 540 HD12 LEU 67 HD12 LEU 67 4.184 -0.541 5.124 541 HD13 LEU 67 HD13 LEU 67 3.913 -1.319 3.553 542 HD21 LEU 67 HD21 LEU 67 3.644 1.620 2.304 543 HD22 LEU 67 HD22 LEU 67 2.703 0.234 1.729 544 HD23 LEU 67 HD23 LEU 67 1.882 1.703 2.324 545 H HIS 68 H HIS 68 -1.198 0.521 5.450 546 HA HIS 68 HA HIS 68 -2.800 -2.007 5.709 547 HB2 HIS 68 HB2 HIS 68 -3.143 0.699 7.015 548 HB3 HIS 68 HB3 HIS 68 -4.556 -0.258 6.606 549 HD1 HIS 68 HD1 HIS 68 -1.829 -0.125 9.222 550 HD2 HIS 68 HD2 HIS 68 -4.947 -2.623 7.855 551 HE1 HIS 68 HE1 HIS 68 -2.415 -1.668 11.141 552 H LEU 69 H LEU 69 -4.799 -2.029 4.567 553 HA LEU 69 HA LEU 69 -5.052 -0.105 2.301 554 HB2 LEU 69 HB2 LEU 69 -5.163 -3.134 2.513 555 HB3 LEU 69 HB3 LEU 69 -6.050 -2.334 1.247 556 HG LEU 69 HG LEU 69 -3.102 -1.854 1.600 557 HD11 LEU 69 HD11 LEU 69 -4.444 -3.919 -0.196 558 HD12 LEU 69 HD12 LEU 69 -2.711 -3.585 -0.091 559 HD13 LEU 69 HD13 LEU 69 -3.553 -4.294 1.289 560 HD21 LEU 69 HD21 LEU 69 -4.932 -1.557 -0.826 561 HD22 LEU 69 HD22 LEU 69 -4.364 -0.221 0.184 562 HD23 LEU 69 HD23 LEU 69 -3.204 -1.166 -0.760 563 H VAL 70 H VAL 70 -7.033 0.987 2.578 564 HA VAL 70 HA VAL 70 -9.225 -0.378 4.049 565 HB VAL 70 HB VAL 70 -9.535 1.526 5.510 566 HG11 VAL 70 HG11 VAL 70 -6.587 0.822 5.719 567 HG12 VAL 70 HG12 VAL 70 -7.669 1.391 7.002 568 HG13 VAL 70 HG13 VAL 70 -7.920 -0.209 6.297 569 HG21 VAL 70 HG21 VAL 70 -7.163 2.789 4.102 570 HG22 VAL 70 HG22 VAL 70 -8.824 3.379 4.141 571 HG23 VAL 70 HG23 VAL 70 -7.871 3.398 5.621 572 H LEU 71 H LEU 71 -11.311 0.954 4.035 573 HA LEU 71 HA LEU 71 -11.592 2.803 1.747 574 HB2 LEU 71 HB2 LEU 71 -13.408 1.577 0.764 575 HB3 LEU 71 HB3 LEU 71 -12.042 0.501 0.915 576 HG LEU 71 HG LEU 71 -13.623 0.250 3.340 577 HD11 LEU 71 HD11 LEU 71 -15.738 -0.589 2.457 578 HD12 LEU 71 HD12 LEU 71 -15.543 1.110 2.053 579 HD13 LEU 71 HD13 LEU 71 -15.279 -0.122 0.810 580 HD21 LEU 71 HD21 LEU 71 -13.195 -1.689 1.044 581 HD22 LEU 71 HD22 LEU 71 -12.130 -1.458 2.448 582 HD23 LEU 71 HD23 LEU 71 -13.759 -2.084 2.684 583 H ARG 72 H ARG 72 -14.222 3.333 1.699 584 HA ARG 72 HA ARG 72 -15.415 3.487 4.319 585 HB2 ARG 72 HB2 ARG 72 -13.604 5.411 4.011 586 HB3 ARG 72 HB3 ARG 72 -14.832 6.189 3.019 587 HG2 ARG 72 HG2 ARG 72 -16.379 6.288 4.910 588 HG3 ARG 72 HG3 ARG 72 -15.372 5.162 5.842 589 HD2 ARG 72 HD2 ARG 72 -13.490 6.952 5.462 590 HD3 ARG 72 HD3 ARG 72 -14.834 8.064 5.170 591 HE ARG 72 HE ARG 72 -15.541 6.873 7.519 592 HH11 ARG 72 HH11 ARG 72 -12.434 8.251 6.443 593 HH12 ARG 72 HH12 ARG 72 -11.745 8.315 8.010 594 HH21 ARG 72 HH21 ARG 72 -14.756 7.349 9.679 595 HH22 ARG 72 HH22 ARG 72 -13.200 8.073 9.900 596 H LEU 73 H LEU 73 -17.692 3.399 3.909 597 HA LEU 73 HA LEU 73 -18.674 4.558 1.338 598 HB2 LEU 73 HB2 LEU 73 -19.073 1.753 2.455 599 HB3 LEU 73 HB3 LEU 73 -20.251 2.480 1.372 600 HG LEU 73 HG LEU 73 -17.319 2.148 0.620 601 HD11 LEU 73 HD11 LEU 73 -18.055 0.195 -0.694 602 HD12 LEU 73 HD12 LEU 73 -18.344 -0.051 1.031 603 HD13 LEU 73 HD13 LEU 73 -19.699 0.359 -0.040 604 HD21 LEU 73 HD21 LEU 73 -19.829 2.751 -1.027 605 HD22 LEU 73 HD22 LEU 73 -18.479 3.867 -0.716 606 HD23 LEU 73 HD23 LEU 73 -18.220 2.428 -1.695 607 H ARG 74 H ARG 74 -20.663 5.573 1.543 608 HA ARG 74 HA ARG 74 -21.676 5.767 4.339 609 HB2 ARG 74 HB2 ARG 74 -22.283 7.470 1.899 610 HB3 ARG 74 HB3 ARG 74 -22.999 7.674 3.491 611 HG2 ARG 74 HG2 ARG 74 -20.140 8.166 2.659 612 HG3 ARG 74 HG3 ARG 74 -21.285 9.306 3.350 613 HD2 ARG 74 HD2 ARG 74 -19.951 6.972 4.811 614 HD3 ARG 74 HD3 ARG 74 -19.524 8.664 4.956 615 HE ARG 74 HE ARG 74 -22.004 7.363 5.956 616 HH11 ARG 74 HH11 ARG 74 -19.960 10.269 6.204 617 HH12 ARG 74 HH12 ARG 74 -21.258 11.165 6.968 618 HH21 ARG 74 HH21 ARG 74 -23.389 8.412 7.247 619 HH22 ARG 74 HH22 ARG 74 -23.081 10.070 7.767 620 H GLY 75 H GLY 75 -22.263 3.992 1.529 621 HA2 GLY 75 HA2 GLY 75 -25.122 3.519 2.099 622 HA3 GLY 75 HA3 GLY 75 -24.140 2.821 0.798 623 H GLY 76 H GLY 76 -22.654 2.733 4.002 624 HA2 GLY 76 HA2 GLY 76 -23.713 0.268 4.956 625 HA3 GLY 76 HA3 GLY 76 -22.184 0.031 4.081 Start of MODEL 12 1 H1 MET 1 H MET 1 14.869 -4.915 -0.914 2 HA MET 1 HA MET 1 14.304 -4.123 1.888 3 HB2 MET 1 HB2 MET 1 15.018 -2.138 0.847 4 HB3 MET 1 HB3 MET 1 14.189 -2.497 -0.671 5 HG2 MET 1 HG2 MET 1 12.027 -2.082 0.352 6 HG3 MET 1 HG3 MET 1 12.762 -1.942 1.950 7 HE1 MET 1 HE1 MET 1 11.528 1.682 1.368 8 HE2 MET 1 HE2 MET 1 10.757 0.091 1.132 9 HE3 MET 1 HE3 MET 1 11.740 0.401 2.575 10 H GLN 2 H GLN 2 12.426 -5.122 2.601 11 HA GLN 2 HA GLN 2 10.351 -5.517 0.531 12 HB2 GLN 2 HB2 GLN 2 9.691 -7.599 1.677 13 HB3 GLN 2 HB3 GLN 2 11.265 -7.695 0.891 14 HG2 GLN 2 HG2 GLN 2 12.425 -7.503 3.027 15 HG3 GLN 2 HG3 GLN 2 10.902 -7.180 3.865 16 HE21 GLN 2 HE21 GLN 2 9.904 -10.614 3.990 17 HE22 GLN 2 HE22 GLN 2 9.434 -8.924 4.215 18 H ILE 3 H ILE 3 8.180 -5.561 1.419 19 HA ILE 3 HA ILE 3 7.830 -4.160 3.990 20 HB ILE 3 HB ILE 3 6.193 -2.621 3.072 21 HG12 ILE 3 HG12 ILE 3 7.081 -3.400 0.262 22 HG13 ILE 3 HG13 ILE 3 5.624 -4.029 1.016 23 HG21 ILE 3 HG21 ILE 3 7.742 -0.999 2.137 24 HG22 ILE 3 HG22 ILE 3 8.568 -1.949 3.373 25 HG23 ILE 3 HG23 ILE 3 8.879 -2.287 1.673 26 HD11 ILE 3 HD11 ILE 3 5.071 -2.161 -0.428 27 HD12 ILE 3 HD12 ILE 3 4.690 -1.777 1.260 28 HD13 ILE 3 HD13 ILE 3 6.130 -1.077 0.490 29 H PHE 4 H PHE 4 5.383 -4.233 4.522 30 HA PHE 4 HA PHE 4 4.209 -6.753 3.516 31 HB2 PHE 4 HB2 PHE 4 4.176 -5.707 6.357 32 HB3 PHE 4 HB3 PHE 4 3.291 -7.108 5.790 33 HD1 PHE 4 HD1 PHE 4 4.571 -9.180 5.017 34 HD2 PHE 4 HD2 PHE 4 6.445 -5.886 7.095 35 HE1 PHE 4 HE1 PHE 4 6.425 -10.666 5.702 36 HE2 PHE 4 HE2 PHE 4 8.296 -7.375 7.766 37 HZ PHE 4 HZ PHE 4 8.288 -9.776 7.105 38 H VAL 5 H VAL 5 1.864 -6.714 3.523 39 HA VAL 5 HA VAL 5 0.648 -4.052 4.016 40 HB VAL 5 HB VAL 5 0.077 -5.589 1.459 41 HG11 VAL 5 HG11 VAL 5 -1.735 -4.130 2.262 42 HG12 VAL 5 HG12 VAL 5 -0.607 -2.763 2.399 43 HG13 VAL 5 HG13 VAL 5 -1.004 -3.442 0.809 44 HG21 VAL 5 HG21 VAL 5 1.302 -3.813 0.239 45 HG22 VAL 5 HG22 VAL 5 1.898 -3.163 1.785 46 HG23 VAL 5 HG23 VAL 5 2.382 -4.783 1.233 47 H LYS 6 H LYS 6 -1.090 -4.289 5.228 48 HA LYS 6 HA LYS 6 -2.284 -6.972 5.652 49 HB2 LYS 6 HB2 LYS 6 -1.626 -5.807 7.656 50 HB3 LYS 6 HB3 LYS 6 -2.413 -4.325 7.143 51 HG2 LYS 6 HG2 LYS 6 -3.641 -5.548 8.930 52 HG3 LYS 6 HG3 LYS 6 -4.599 -5.218 7.497 53 HD2 LYS 6 HD2 LYS 6 -5.043 -7.441 8.439 54 HD3 LYS 6 HD3 LYS 6 -4.507 -7.502 6.780 55 HE2 LYS 6 HE2 LYS 6 -3.478 -9.312 7.980 56 HE3 LYS 6 HE3 LYS 6 -2.213 -8.176 7.547 57 HZ1 LYS 6 HZ1 LYS 6 -2.094 -7.437 9.755 58 HZ2 LYS 6 HZ2 LYS 6 -3.513 -8.200 10.202 59 HZ3 LYS 6 HZ3 LYS 6 -2.129 -9.033 9.858 60 H THR 7 H THR 7 -3.897 -7.425 4.211 61 HA THR 7 HA THR 7 -5.119 -5.288 2.702 62 HB THR 7 HB THR 7 -6.281 -7.049 1.522 63 HG1 THR 7 HG1 THR 7 -6.105 -9.223 2.297 64 HG21 THR 7 HG21 THR 7 -3.810 -6.847 1.058 65 HG22 THR 7 HG22 THR 7 -3.537 -8.174 2.217 66 HG23 THR 7 HG23 THR 7 -4.469 -8.464 0.748 67 H LEU 8 H LEU 8 -7.550 -5.146 2.492 68 HA LEU 8 HA LEU 8 -8.719 -4.632 5.043 69 HB2 LEU 8 HB2 LEU 8 -10.598 -3.864 3.884 70 HB3 LEU 8 HB3 LEU 8 -9.216 -3.345 2.941 71 HG LEU 8 HG LEU 8 -10.956 -5.783 2.266 72 HD11 LEU 8 HD11 LEU 8 -12.275 -3.721 2.175 73 HD12 LEU 8 HD12 LEU 8 -11.063 -2.972 1.112 74 HD13 LEU 8 HD13 LEU 8 -11.998 -4.373 0.558 75 HD21 LEU 8 HD21 LEU 8 -8.850 -4.284 0.641 76 HD22 LEU 8 HD22 LEU 8 -8.791 -5.995 1.173 77 HD23 LEU 8 HD23 LEU 8 -9.975 -5.486 -0.018 78 H THR 9 H THR 9 -8.271 -7.610 3.493 79 HA THR 9 HA THR 9 -10.784 -8.794 4.470 80 HB THR 9 HB THR 9 -10.438 -10.513 3.003 81 HG1 THR 9 HG1 THR 9 -8.630 -11.414 3.371 82 HG21 THR 9 HG21 THR 9 -8.742 -8.493 1.485 83 HG22 THR 9 HG22 THR 9 -9.817 -9.743 0.840 84 HG23 THR 9 HG23 THR 9 -10.501 -8.339 1.672 85 H GLY 10 H GLY 10 -7.659 -8.096 5.557 86 HA2 GLY 10 HA2 GLY 10 -6.869 -8.466 7.685 87 HA3 GLY 10 HA3 GLY 10 -7.827 -9.940 7.829 88 H LYS 11 H LYS 11 -6.351 -9.953 4.776 89 HA LYS 11 HA LYS 11 -4.478 -12.024 5.594 90 HB2 LYS 11 HB2 LYS 11 -5.764 -11.023 3.150 91 HB3 LYS 11 HB3 LYS 11 -4.060 -11.202 2.857 92 HG2 LYS 11 HG2 LYS 11 -5.760 -13.405 4.097 93 HG3 LYS 11 HG3 LYS 11 -5.677 -13.168 2.357 94 HD2 LYS 11 HD2 LYS 11 -3.314 -13.763 4.171 95 HD3 LYS 11 HD3 LYS 11 -4.114 -14.919 3.119 96 HE2 LYS 11 HE2 LYS 11 -2.481 -12.496 2.245 97 HE3 LYS 11 HE3 LYS 11 -2.055 -14.199 2.088 98 HZ1 LYS 11 HZ1 LYS 11 -4.182 -12.757 0.623 99 HZ2 LYS 11 HZ2 LYS 11 -2.850 -13.529 0.008 100 HZ3 LYS 11 HZ3 LYS 11 -4.063 -14.410 0.639 101 H THR 12 H THR 12 -2.099 -11.928 4.895 102 HA THR 12 HA THR 12 -1.056 -9.142 5.002 103 HB THR 12 HB THR 12 0.137 -11.626 6.273 104 HG1 THR 12 HG1 THR 12 -0.634 -10.876 8.139 105 HG21 THR 12 HG21 THR 12 1.610 -9.988 7.427 106 HG22 THR 12 HG22 THR 12 1.837 -9.918 5.673 107 HG23 THR 12 HG23 THR 12 0.877 -8.666 6.494 108 H ILE 13 H ILE 13 0.286 -8.632 3.407 109 HA ILE 13 HA ILE 13 1.189 -10.721 1.484 110 HB ILE 13 HB ILE 13 0.817 -7.756 0.967 111 HG12 ILE 13 HG12 ILE 13 -1.384 -8.496 1.600 112 HG13 ILE 13 HG13 ILE 13 -1.324 -8.176 -0.102 113 HG21 ILE 13 HG21 ILE 13 2.233 -8.842 -0.687 114 HG22 ILE 13 HG22 ILE 13 1.041 -10.129 -0.927 115 HG23 ILE 13 HG23 ILE 13 0.683 -8.467 -1.420 116 HD11 ILE 13 HD11 ILE 13 -2.627 -10.179 0.286 117 HD12 ILE 13 HD12 ILE 13 -1.138 -10.696 -0.512 118 HD13 ILE 13 HD13 ILE 13 -1.338 -10.930 1.231 119 H THR 14 H THR 14 3.333 -10.333 0.619 120 HA THR 14 HA THR 14 5.164 -8.598 2.173 121 HB THR 14 HB THR 14 5.628 -11.480 1.263 122 HG1 THR 14 HG1 THR 14 4.215 -11.522 2.982 123 HG21 THR 14 HG21 THR 14 7.257 -9.654 3.075 124 HG22 THR 14 HG22 THR 14 7.613 -11.351 2.710 125 HG23 THR 14 HG23 THR 14 7.702 -10.139 1.420 126 H LEU 15 H LEU 15 6.257 -7.256 0.669 127 HA LEU 15 HA LEU 15 6.547 -8.208 -2.149 128 HB2 LEU 15 HB2 LEU 15 5.575 -5.475 -1.210 129 HB3 LEU 15 HB3 LEU 15 6.048 -5.856 -2.860 130 HG LEU 15 HG LEU 15 3.708 -7.148 -1.394 131 HD11 LEU 15 HD11 LEU 15 2.355 -5.752 -2.981 132 HD12 LEU 15 HD12 LEU 15 3.249 -4.813 -1.767 133 HD13 LEU 15 HD13 LEU 15 3.849 -4.902 -3.432 134 HD21 LEU 15 HD21 LEU 15 4.623 -7.331 -4.295 135 HD22 LEU 15 HD22 LEU 15 4.563 -8.655 -3.131 136 HD23 LEU 15 HD23 LEU 15 3.057 -7.922 -3.695 137 H GLU 16 H GLU 16 8.323 -7.308 -3.225 138 HA GLU 16 HA GLU 16 10.477 -6.200 -1.497 139 HB2 GLU 16 HB2 GLU 16 10.890 -8.389 -2.539 140 HB3 GLU 16 HB3 GLU 16 10.592 -7.691 -4.137 141 HG2 GLU 16 HG2 GLU 16 12.558 -6.211 -3.876 142 HG3 GLU 16 HG3 GLU 16 12.805 -6.813 -2.227 143 H VAL 17 H VAL 17 10.420 -4.042 -1.656 144 HA VAL 17 HA VAL 17 9.874 -2.708 -4.272 145 HB VAL 17 HB VAL 17 8.703 -0.974 -3.030 146 HG11 VAL 17 HG11 VAL 17 7.420 -2.991 -3.800 147 HG12 VAL 17 HG12 VAL 17 7.595 -3.697 -2.186 148 HG13 VAL 17 HG13 VAL 17 6.698 -2.188 -2.395 149 HG21 VAL 17 HG21 VAL 17 9.910 -1.057 -0.886 150 HG22 VAL 17 HG22 VAL 17 8.170 -1.230 -0.636 151 HG23 VAL 17 HG23 VAL 17 9.222 -2.656 -0.541 152 H GLU 18 H GLU 18 10.608 -0.105 -3.633 153 HA GLU 18 HA GLU 18 13.191 -0.181 -2.314 154 HB2 GLU 18 HB2 GLU 18 14.415 0.713 -4.242 155 HB3 GLU 18 HB3 GLU 18 13.816 -0.917 -4.500 156 HG2 GLU 18 HG2 GLU 18 11.962 0.020 -5.888 157 HG3 GLU 18 HG3 GLU 18 12.699 1.631 -5.718 158 HA PRO 19 HA PRO 19 12.055 3.826 -1.067 159 HB2 PRO 19 HB2 PRO 19 14.653 4.971 -2.073 160 HB3 PRO 19 HB3 PRO 19 13.903 5.134 -0.456 161 HG2 PRO 19 HG2 PRO 19 15.962 3.437 -0.808 162 HG3 PRO 19 HG3 PRO 19 14.542 2.885 0.130 163 HD2 PRO 19 HD2 PRO 19 15.134 2.370 -2.805 164 HD3 PRO 19 HD3 PRO 19 14.678 1.193 -1.536 165 H SER 20 H SER 20 13.117 3.465 -4.421 166 HA SER 20 HA SER 20 11.730 5.992 -5.167 167 HB2 SER 20 HB2 SER 20 13.695 4.317 -6.758 168 HB3 SER 20 HB3 SER 20 13.185 5.993 -7.039 169 HG SER 20 HG SER 20 14.576 6.671 -5.667 170 H ASP 21 H ASP 21 10.394 3.396 -4.556 171 HA ASP 21 HA ASP 21 9.293 2.519 -7.169 172 HB2 ASP 21 HB2 ASP 21 10.146 1.024 -5.243 173 HB3 ASP 21 HB3 ASP 21 8.768 1.556 -4.315 174 H THR 22 H THR 22 7.172 3.420 -7.763 175 HA THR 22 HA THR 22 6.135 5.550 -6.023 176 HB THR 22 HB THR 22 4.304 5.511 -7.852 177 HG1 THR 22 HG1 THR 22 5.542 4.638 -9.840 178 HG21 THR 22 HG21 THR 22 7.132 6.193 -8.680 179 HG22 THR 22 HG22 THR 22 5.638 6.806 -9.413 180 HG23 THR 22 HG23 THR 22 6.044 7.238 -7.745 181 H ILE 23 H ILE 23 3.990 5.592 -5.182 182 HA ILE 23 HA ILE 23 3.178 3.091 -4.035 183 HB ILE 23 HB ILE 23 1.586 5.603 -4.360 184 HG12 ILE 23 HG12 ILE 23 3.597 6.099 -3.102 185 HG13 ILE 23 HG13 ILE 23 2.216 6.111 -2.015 186 HG21 ILE 23 HG21 ILE 23 -0.021 3.966 -3.824 187 HG22 ILE 23 HG22 ILE 23 1.066 3.137 -2.707 188 HG23 ILE 23 HG23 ILE 23 0.352 4.703 -2.259 189 HD11 ILE 23 HD11 ILE 23 4.290 3.893 -2.248 190 HD12 ILE 23 HD12 ILE 23 4.114 5.062 -0.932 191 HD13 ILE 23 HD13 ILE 23 2.856 3.841 -1.189 192 H GLU 24 H GLU 24 2.504 4.564 -7.106 193 HA GLU 24 HA GLU 24 0.121 3.298 -7.920 194 HB2 GLU 24 HB2 GLU 24 1.092 5.117 -9.118 195 HB3 GLU 24 HB3 GLU 24 2.636 4.296 -9.314 196 HG2 GLU 24 HG2 GLU 24 1.713 2.737 -10.898 197 HG3 GLU 24 HG3 GLU 24 0.070 3.372 -10.650 198 H ASN 25 H ASN 25 3.517 2.223 -8.020 199 HA ASN 25 HA ASN 25 3.006 -0.324 -9.302 200 HB2 ASN 25 HB2 ASN 25 5.344 1.005 -7.915 201 HB3 ASN 25 HB3 ASN 25 5.384 -0.731 -8.216 202 HD21 ASN 25 HD21 ASN 25 5.727 1.841 -11.376 203 HD22 ASN 25 HD22 ASN 25 5.482 2.457 -9.754 204 H VAL 26 H VAL 26 3.800 0.690 -5.958 205 HA VAL 26 HA VAL 26 3.588 -1.790 -4.699 206 HB VAL 26 HB VAL 26 2.906 0.981 -3.636 207 HG11 VAL 26 HG11 VAL 26 2.063 -0.479 -2.008 208 HG12 VAL 26 HG12 VAL 26 3.441 -1.606 -2.157 209 HG13 VAL 26 HG13 VAL 26 3.639 -0.009 -1.398 210 HG21 VAL 26 HG21 VAL 26 5.245 0.773 -4.558 211 HG22 VAL 26 HG22 VAL 26 5.185 1.084 -2.831 212 HG23 VAL 26 HG23 VAL 26 5.524 -0.555 -3.438 213 H LYS 27 H LYS 27 0.926 0.467 -5.534 214 HA LYS 27 HA LYS 27 -1.104 -1.082 -4.144 215 HB2 LYS 27 HB2 LYS 27 -1.166 1.401 -4.527 216 HB3 LYS 27 HB3 LYS 27 -1.407 1.094 -6.255 217 HG2 LYS 27 HG2 LYS 27 -3.555 -0.038 -5.754 218 HG3 LYS 27 HG3 LYS 27 -3.246 0.106 -4.019 219 HD2 LYS 27 HD2 LYS 27 -4.866 1.757 -4.719 220 HD3 LYS 27 HD3 LYS 27 -3.381 2.584 -4.210 221 HE2 LYS 27 HE2 LYS 27 -2.710 2.930 -6.532 222 HE3 LYS 27 HE3 LYS 27 -4.013 1.890 -7.114 223 HZ1 LYS 27 HZ1 LYS 27 -4.515 4.226 -7.373 224 HZ2 LYS 27 HZ2 LYS 27 -5.615 3.507 -6.450 225 HZ3 LYS 27 HZ3 LYS 27 -4.482 4.477 -5.739 226 H ALA 28 H ALA 28 0.453 -1.348 -7.282 227 HA ALA 28 HA ALA 28 -1.778 -2.853 -8.457 228 HB1 ALA 28 HB1 ALA 28 1.024 -2.333 -9.536 229 HB2 ALA 28 HB2 ALA 28 -0.387 -2.963 -10.419 230 HB3 ALA 28 HB3 ALA 28 -0.411 -1.312 -9.794 231 H LYS 29 H LYS 29 1.539 -3.447 -7.233 232 HA LYS 29 HA LYS 29 1.738 -6.186 -7.828 233 HB2 LYS 29 HB2 LYS 29 2.819 -4.575 -5.484 234 HB3 LYS 29 HB3 LYS 29 3.218 -6.273 -5.764 235 HG2 LYS 29 HG2 LYS 29 4.045 -5.604 -8.086 236 HG3 LYS 29 HG3 LYS 29 3.881 -3.915 -7.569 237 HD2 LYS 29 HD2 LYS 29 5.358 -4.488 -5.577 238 HD3 LYS 29 HD3 LYS 29 5.633 -6.073 -6.310 239 HE2 LYS 29 HE2 LYS 29 6.356 -3.367 -7.520 240 HE3 LYS 29 HE3 LYS 29 7.472 -4.485 -6.735 241 HZ1 LYS 29 HZ1 LYS 29 6.889 -6.104 -8.517 242 HZ2 LYS 29 HZ2 LYS 29 6.113 -4.829 -9.317 243 HZ3 LYS 29 HZ3 LYS 29 7.700 -4.777 -8.984 244 H ILE 30 H ILE 30 0.080 -4.682 -5.014 245 HA ILE 30 HA ILE 30 -0.487 -7.176 -3.765 246 HB ILE 30 HB ILE 30 -2.295 -5.962 -2.547 247 HG12 ILE 30 HG12 ILE 30 -1.306 -3.487 -4.012 248 HG13 ILE 30 HG13 ILE 30 -2.796 -4.329 -4.445 249 HG21 ILE 30 HG21 ILE 30 -0.744 -4.641 -1.226 250 HG22 ILE 30 HG22 ILE 30 0.062 -6.113 -1.772 251 HG23 ILE 30 HG23 ILE 30 0.405 -4.559 -2.573 252 HD11 ILE 30 HD11 ILE 30 -3.744 -3.866 -2.239 253 HD12 ILE 30 HD12 ILE 30 -2.267 -3.017 -1.757 254 HD13 ILE 30 HD13 ILE 30 -3.271 -2.379 -3.070 255 H GLN 31 H GLN 31 -2.010 -5.667 -6.580 256 HA GLN 31 HA GLN 31 -4.455 -7.212 -6.393 257 HB2 GLN 31 HB2 GLN 31 -3.398 -5.818 -8.876 258 HB3 GLN 31 HB3 GLN 31 -5.072 -6.152 -8.401 259 HG2 GLN 31 HG2 GLN 31 -4.673 -4.605 -6.384 260 HG3 GLN 31 HG3 GLN 31 -3.138 -4.192 -7.133 261 HE21 GLN 31 HE21 GLN 31 -6.442 -2.274 -8.300 262 HE22 GLN 31 HE22 GLN 31 -6.447 -3.542 -7.065 263 H ASP 32 H ASP 32 -1.202 -7.773 -7.539 264 HA ASP 32 HA ASP 32 -1.896 -9.918 -9.429 265 HB2 ASP 32 HB2 ASP 32 0.075 -8.582 -9.823 266 HB3 ASP 32 HB3 ASP 32 0.680 -8.877 -8.200 267 H LYS 33 H LYS 33 -1.071 -9.503 -6.001 268 HA LYS 33 HA LYS 33 -1.119 -12.443 -5.566 269 HB2 LYS 33 HB2 LYS 33 0.032 -10.097 -4.082 270 HB3 LYS 33 HB3 LYS 33 -0.357 -11.583 -3.200 271 HG2 LYS 33 HG2 LYS 33 1.005 -12.897 -4.783 272 HG3 LYS 33 HG3 LYS 33 1.456 -11.413 -5.652 273 HD2 LYS 33 HD2 LYS 33 2.616 -10.528 -3.750 274 HD3 LYS 33 HD3 LYS 33 1.914 -11.728 -2.662 275 HE2 LYS 33 HE2 LYS 33 3.883 -12.369 -4.898 276 HE3 LYS 33 HE3 LYS 33 4.305 -12.157 -3.193 277 HZ1 LYS 33 HZ1 LYS 33 2.685 -14.018 -2.750 278 HZ2 LYS 33 HZ2 LYS 33 2.661 -14.309 -4.362 279 HZ3 LYS 33 HZ3 LYS 33 4.081 -14.422 -3.546 280 H GLU 34 H GLU 34 -3.476 -9.875 -5.146 281 HA GLU 34 HA GLU 34 -5.065 -11.778 -3.533 282 HB2 GLU 34 HB2 GLU 34 -3.849 -10.093 -2.046 283 HB3 GLU 34 HB3 GLU 34 -4.742 -8.821 -2.858 284 HG2 GLU 34 HG2 GLU 34 -5.924 -9.151 -0.887 285 HG3 GLU 34 HG3 GLU 34 -6.872 -10.112 -2.003 286 H GLY 35 H GLY 35 -7.411 -11.265 -3.700 287 HA2 GLY 35 HA2 GLY 35 -8.165 -10.429 -6.373 288 HA3 GLY 35 HA3 GLY 35 -9.182 -11.081 -5.094 289 H ILE 36 H ILE 36 -7.310 -8.055 -5.837 290 HA ILE 36 HA ILE 36 -9.647 -6.516 -4.843 291 HB ILE 36 HB ILE 36 -7.987 -4.928 -3.751 292 HG12 ILE 36 HG12 ILE 36 -6.217 -7.425 -3.798 293 HG13 ILE 36 HG13 ILE 36 -5.853 -5.885 -4.560 294 HG21 ILE 36 HG21 ILE 36 -8.400 -7.642 -2.426 295 HG22 ILE 36 HG22 ILE 36 -8.257 -6.055 -1.641 296 HG23 ILE 36 HG23 ILE 36 -9.670 -6.410 -2.617 297 HD11 ILE 36 HD11 ILE 36 -6.014 -6.445 -1.578 298 HD12 ILE 36 HD12 ILE 36 -4.590 -6.065 -2.544 299 HD13 ILE 36 HD13 ILE 36 -5.838 -4.822 -2.294 300 HA PRO 37 HA PRO 37 -8.494 -4.592 -8.792 301 HB2 PRO 37 HB2 PRO 37 -10.913 -3.463 -9.398 302 HB3 PRO 37 HB3 PRO 37 -10.647 -5.230 -9.506 303 HG2 PRO 37 HG2 PRO 37 -11.859 -3.657 -7.206 304 HG3 PRO 37 HG3 PRO 37 -12.531 -5.105 -8.029 305 HD2 PRO 37 HD2 PRO 37 -11.079 -5.271 -5.723 306 HD3 PRO 37 HD3 PRO 37 -10.961 -6.527 -7.001 307 HA PRO 38 HA PRO 38 -7.798 -0.474 -7.177 308 HB2 PRO 38 HB2 PRO 38 -7.569 1.142 -9.342 309 HB3 PRO 38 HB3 PRO 38 -6.466 -0.244 -9.113 310 HG2 PRO 38 HG2 PRO 38 -8.981 -0.137 -10.815 311 HG3 PRO 38 HG3 PRO 38 -7.345 -0.694 -11.291 312 HD2 PRO 38 HD2 PRO 38 -9.327 -2.411 -10.450 313 HD3 PRO 38 HD3 PRO 38 -7.602 -2.721 -10.126 314 H ASP 39 H ASP 39 -10.276 -1.110 -6.532 315 HA ASP 39 HA ASP 39 -11.851 1.346 -6.702 316 HB2 ASP 39 HB2 ASP 39 -12.704 -0.118 -8.563 317 HB3 ASP 39 HB3 ASP 39 -13.029 -1.375 -7.369 318 H GLN 40 H GLN 40 -12.777 1.637 -4.714 319 HA GLN 40 HA GLN 40 -12.986 1.477 -2.428 320 HB2 GLN 40 HB2 GLN 40 -13.529 -1.475 -2.887 321 HB3 GLN 40 HB3 GLN 40 -14.081 -0.469 -1.564 322 HG2 GLN 40 HG2 GLN 40 -15.011 -0.380 -4.455 323 HG3 GLN 40 HG3 GLN 40 -15.906 -0.949 -3.061 324 HE21 GLN 40 HE21 GLN 40 -15.955 3.024 -3.926 325 HE22 GLN 40 HE22 GLN 40 -15.066 1.893 -4.945 326 H ASN 41 H ASN 41 -10.334 1.491 -3.264 327 HA ASN 41 HA ASN 41 -9.057 -0.103 -1.132 328 HB2 ASN 41 HB2 ASN 41 -9.006 -1.217 -3.536 329 HB3 ASN 41 HB3 ASN 41 -7.796 0.016 -3.878 330 HD21 ASN 41 HD21 ASN 41 -6.914 -3.172 -1.499 331 HD22 ASN 41 HD22 ASN 41 -8.520 -2.943 -2.191 332 H ARG 42 H ARG 42 -7.429 1.059 -0.088 333 HA ARG 42 HA ARG 42 -6.059 3.263 -1.391 334 HB2 ARG 42 HB2 ARG 42 -8.050 4.464 -0.735 335 HB3 ARG 42 HB3 ARG 42 -8.042 3.753 0.894 336 HG2 ARG 42 HG2 ARG 42 -6.010 4.932 1.455 337 HG3 ARG 42 HG3 ARG 42 -5.829 5.494 -0.215 338 HD2 ARG 42 HD2 ARG 42 -8.178 6.271 1.557 339 HD3 ARG 42 HD3 ARG 42 -6.680 7.195 1.510 340 HE ARG 42 HE ARG 42 -8.797 7.141 -0.478 341 HH11 ARG 42 HH11 ARG 42 -5.324 7.871 -0.002 342 HH12 ARG 42 HH12 ARG 42 -5.308 8.982 -1.365 343 HH21 ARG 42 HH21 ARG 42 -8.693 8.703 -2.184 344 HH22 ARG 42 HH22 ARG 42 -7.183 9.443 -2.554 345 H LEU 43 H LEU 43 -4.051 3.335 -0.546 346 HA LEU 43 HA LEU 43 -3.297 1.455 1.568 347 HB2 LEU 43 HB2 LEU 43 -2.178 1.710 -0.688 348 HB3 LEU 43 HB3 LEU 43 -1.683 3.328 -0.212 349 HG LEU 43 HG LEU 43 -0.345 2.293 1.677 350 HD11 LEU 43 HD11 LEU 43 -1.418 0.132 1.966 351 HD12 LEU 43 HD12 LEU 43 -1.132 -0.293 0.262 352 HD13 LEU 43 HD13 LEU 43 0.224 -0.160 1.387 353 HD21 LEU 43 HD21 LEU 43 1.439 1.449 0.101 354 HD22 LEU 43 HD22 LEU 43 0.235 1.438 -1.194 355 HD23 LEU 43 HD23 LEU 43 0.700 2.970 -0.411 356 H ILE 44 H ILE 44 -2.588 2.048 3.640 357 HA ILE 44 HA ILE 44 -2.125 4.927 4.268 358 HB ILE 44 HB ILE 44 -3.729 2.975 5.959 359 HG12 ILE 44 HG12 ILE 44 -5.116 3.585 4.020 360 HG13 ILE 44 HG13 ILE 44 -5.748 4.108 5.566 361 HG21 ILE 44 HG21 ILE 44 -4.352 5.043 7.275 362 HG22 ILE 44 HG22 ILE 44 -2.657 4.574 7.388 363 HG23 ILE 44 HG23 ILE 44 -3.141 5.933 6.345 364 HD11 ILE 44 HD11 ILE 44 -6.115 5.795 3.826 365 HD12 ILE 44 HD12 ILE 44 -5.100 6.434 5.124 366 HD13 ILE 44 HD13 ILE 44 -4.370 5.940 3.581 367 H PHE 45 H PHE 45 -0.506 5.188 5.936 368 HA PHE 45 HA PHE 45 0.635 2.706 7.125 369 HB2 PHE 45 HB2 PHE 45 1.941 3.183 5.113 370 HB3 PHE 45 HB3 PHE 45 2.221 4.836 5.657 371 HD1 PHE 45 HD1 PHE 45 2.469 1.585 7.616 372 HD2 PHE 45 HD2 PHE 45 4.549 4.972 5.931 373 HE1 PHE 45 HE1 PHE 45 4.530 0.896 8.770 374 HE2 PHE 45 HE2 PHE 45 6.640 4.220 7.030 375 HZ PHE 45 HZ PHE 45 6.630 2.198 8.479 376 H ALA 46 H ALA 46 0.457 3.031 9.266 377 HA ALA 46 HA ALA 46 0.128 4.040 11.253 378 HB1 ALA 46 HB1 ALA 46 2.427 5.844 10.465 379 HB2 ALA 46 HB2 ALA 46 1.937 5.351 12.092 380 HB3 ALA 46 HB3 ALA 46 2.626 4.149 10.985 381 H GLY 47 H GLY 47 -1.673 4.894 9.413 382 HA2 GLY 47 HA2 GLY 47 -3.417 6.370 9.335 383 HA3 GLY 47 HA3 GLY 47 -2.592 7.413 10.485 384 H LYS 48 H LYS 48 -0.266 7.145 8.117 385 HA LYS 48 HA LYS 48 -1.062 9.702 6.934 386 HB2 LYS 48 HB2 LYS 48 1.289 9.301 7.570 387 HB3 LYS 48 HB3 LYS 48 1.378 7.953 6.430 388 HG2 LYS 48 HG2 LYS 48 1.768 9.279 4.679 389 HG3 LYS 48 HG3 LYS 48 0.434 10.359 5.048 390 HD2 LYS 48 HD2 LYS 48 3.143 10.516 6.420 391 HD3 LYS 48 HD3 LYS 48 2.683 11.441 4.981 392 HE2 LYS 48 HE2 LYS 48 0.752 12.420 6.208 393 HE3 LYS 48 HE3 LYS 48 1.263 11.579 7.680 394 HZ1 LYS 48 HZ1 LYS 48 2.856 13.591 6.211 395 HZ2 LYS 48 HZ2 LYS 48 2.027 13.889 7.582 396 HZ3 LYS 48 HZ3 LYS 48 3.303 12.857 7.630 397 H GLN 49 H GLN 49 -1.983 9.930 4.983 398 HA GLN 49 HA GLN 49 -2.997 7.584 3.579 399 HB2 GLN 49 HB2 GLN 49 -3.034 10.545 2.785 400 HB3 GLN 49 HB3 GLN 49 -3.887 9.261 1.967 401 HG2 GLN 49 HG2 GLN 49 -5.567 10.164 3.226 402 HG3 GLN 49 HG3 GLN 49 -5.067 8.806 4.230 403 HE21 GLN 49 HE21 GLN 49 -4.839 11.056 6.992 404 HE22 GLN 49 HE22 GLN 49 -5.499 9.600 6.298 405 H LEU 50 H LEU 50 -1.914 6.501 1.987 406 HA LEU 50 HA LEU 50 0.413 7.834 0.655 407 HB2 LEU 50 HB2 LEU 50 -0.192 4.870 1.045 408 HB3 LEU 50 HB3 LEU 50 1.237 5.567 0.284 409 HG LEU 50 HG LEU 50 0.483 5.728 3.241 410 HD11 LEU 50 HD11 LEU 50 1.257 3.571 2.744 411 HD12 LEU 50 HD12 LEU 50 2.509 4.147 1.621 412 HD13 LEU 50 HD13 LEU 50 2.695 4.405 3.358 413 HD21 LEU 50 HD21 LEU 50 1.629 7.799 2.637 414 HD22 LEU 50 HD22 LEU 50 2.737 6.764 3.542 415 HD23 LEU 50 HD23 LEU 50 2.874 6.886 1.770 416 H GLU 51 H GLU 51 0.332 7.842 -1.621 417 HA GLU 51 HA GLU 51 -1.469 6.150 -3.074 418 HB2 GLU 51 HB2 GLU 51 -2.826 7.976 -3.999 419 HB3 GLU 51 HB3 GLU 51 -3.163 7.626 -2.319 420 HG2 GLU 51 HG2 GLU 51 -1.713 9.579 -1.650 421 HG3 GLU 51 HG3 GLU 51 -1.539 9.966 -3.369 422 H ASP 52 H ASP 52 -1.575 7.124 -5.440 423 HA ASP 52 HA ASP 52 1.059 6.958 -6.406 424 HB2 ASP 52 HB2 ASP 52 -0.007 7.150 -8.604 425 HB3 ASP 52 HB3 ASP 52 -0.891 6.060 -7.553 426 H GLY 53 H GLY 53 1.977 8.279 -7.993 427 HA2 GLY 53 HA2 GLY 53 2.590 10.274 -8.992 428 HA3 GLY 53 HA3 GLY 53 1.774 11.198 -7.712 429 H ARG 54 H ARG 54 2.922 9.438 -5.566 430 HA ARG 54 HA ARG 54 5.684 10.573 -5.431 431 HB2 ARG 54 HB2 ARG 54 3.534 9.962 -3.390 432 HB3 ARG 54 HB3 ARG 54 5.218 10.193 -2.914 433 HG2 ARG 54 HG2 ARG 54 5.160 12.489 -3.967 434 HG3 ARG 54 HG3 ARG 54 3.423 12.227 -4.279 435 HD2 ARG 54 HD2 ARG 54 3.469 11.523 -1.673 436 HD3 ARG 54 HD3 ARG 54 4.890 12.572 -1.671 437 HE ARG 54 HE ARG 54 2.834 13.992 -2.944 438 HH11 ARG 54 HH11 ARG 54 3.608 12.718 0.270 439 HH12 ARG 54 HH12 ARG 54 2.509 13.758 1.110 440 HH21 ARG 54 HH21 ARG 54 1.788 15.659 -1.827 441 HH22 ARG 54 HH22 ARG 54 1.470 15.532 -0.118 442 H THR 55 H THR 55 7.156 9.351 -3.997 443 HA THR 55 HA THR 55 7.030 6.414 -4.419 444 HB THR 55 HB THR 55 9.499 6.552 -4.461 445 HG1 THR 55 HG1 THR 55 9.055 9.378 -4.241 446 HG21 THR 55 HG21 THR 55 9.831 7.590 -6.635 447 HG22 THR 55 HG22 THR 55 8.341 6.644 -6.609 448 HG23 THR 55 HG23 THR 55 8.269 8.422 -6.518 449 H LEU 56 H LEU 56 8.423 5.195 -2.835 450 HA LEU 56 HA LEU 56 7.508 5.536 -0.196 451 HB2 LEU 56 HB2 LEU 56 9.840 4.005 -1.371 452 HB3 LEU 56 HB3 LEU 56 9.700 4.180 0.373 453 HG LEU 56 HG LEU 56 7.327 3.262 0.198 454 HD11 LEU 56 HD11 LEU 56 8.329 2.700 -2.591 455 HD12 LEU 56 HD12 LEU 56 7.081 1.703 -1.860 456 HD13 LEU 56 HD13 LEU 56 6.795 3.442 -2.132 457 HD21 LEU 56 HD21 LEU 56 9.621 1.449 -0.599 458 HD22 LEU 56 HD22 LEU 56 9.218 1.979 1.061 459 HD23 LEU 56 HD23 LEU 56 8.091 0.955 0.172 460 H SER 57 H SER 57 10.493 6.752 -1.684 461 HA SER 57 HA SER 57 11.781 7.727 0.621 462 HB2 SER 57 HB2 SER 57 12.804 7.403 -1.633 463 HB3 SER 57 HB3 SER 57 11.851 8.759 -2.258 464 HG SER 57 HG SER 57 13.962 9.341 -1.722 465 H ASP 58 H ASP 58 9.361 9.318 -1.559 466 HA ASP 58 HA ASP 58 9.503 11.903 -0.400 467 HB2 ASP 58 HB2 ASP 58 7.089 10.516 -1.640 468 HB3 ASP 58 HB3 ASP 58 7.200 12.227 -1.254 469 H TYR 59 H TYR 59 7.398 9.115 0.361 470 HA TYR 59 HA TYR 59 6.147 10.427 2.646 471 HB2 TYR 59 HB2 TYR 59 6.132 7.584 1.592 472 HB3 TYR 59 HB3 TYR 59 5.132 8.138 2.927 473 HD1 TYR 59 HD1 TYR 59 3.527 10.189 2.428 474 HD2 TYR 59 HD2 TYR 59 5.221 7.590 -0.574 475 HE1 TYR 59 HE1 TYR 59 1.619 10.673 0.924 476 HE2 TYR 59 HE2 TYR 59 3.346 8.107 -2.083 477 HH TYR 59 HH TYR 59 1.388 9.384 -2.414 478 H ASN 60 H ASN 60 9.179 8.950 2.340 479 HA ASN 60 HA ASN 60 10.755 8.187 3.732 480 HB2 ASN 60 HB2 ASN 60 10.532 10.284 4.891 481 HB3 ASN 60 HB3 ASN 60 9.191 9.648 5.855 482 HD21 ASN 60 HD21 ASN 60 11.489 8.759 8.385 483 HD22 ASN 60 HD22 ASN 60 10.012 9.611 7.915 484 H ILE 61 H ILE 61 9.071 6.313 2.930 485 HA ILE 61 HA ILE 61 8.156 4.683 5.222 486 HB ILE 61 HB ILE 61 8.128 4.232 2.212 487 HG12 ILE 61 HG12 ILE 61 5.840 4.816 4.140 488 HG13 ILE 61 HG13 ILE 61 6.619 6.039 3.156 489 HG21 ILE 61 HG21 ILE 61 6.829 2.532 4.404 490 HG22 ILE 61 HG22 ILE 61 6.675 2.275 2.655 491 HG23 ILE 61 HG23 ILE 61 8.234 2.051 3.428 492 HD11 ILE 61 HD11 ILE 61 4.987 3.697 2.137 493 HD12 ILE 61 HD12 ILE 61 4.600 5.422 2.073 494 HD13 ILE 61 HD13 ILE 61 5.921 4.796 1.093 495 H GLN 62 H GLN 62 9.559 3.279 6.200 496 HA GLN 62 HA GLN 62 12.204 2.831 4.934 497 HB2 GLN 62 HB2 GLN 62 11.219 2.435 7.794 498 HB3 GLN 62 HB3 GLN 62 12.832 2.009 7.229 499 HG2 GLN 62 HG2 GLN 62 11.631 4.806 7.250 500 HG3 GLN 62 HG3 GLN 62 12.899 4.189 8.310 501 HE21 GLN 62 HE21 GLN 62 14.066 5.986 4.984 502 HE22 GLN 62 HE22 GLN 62 12.753 6.447 6.023 503 H LYS 63 H LYS 63 13.186 0.624 5.478 504 HA LYS 63 HA LYS 63 11.574 -1.290 4.064 505 HB2 LYS 63 HB2 LYS 63 13.448 -2.702 4.082 506 HB3 LYS 63 HB3 LYS 63 14.037 -1.073 3.810 507 HG2 LYS 63 HG2 LYS 63 14.748 -0.943 6.203 508 HG3 LYS 63 HG3 LYS 63 14.167 -2.603 6.449 509 HD2 LYS 63 HD2 LYS 63 15.692 -3.248 4.466 510 HD3 LYS 63 HD3 LYS 63 16.412 -1.639 4.649 511 HE2 LYS 63 HE2 LYS 63 16.886 -2.260 7.068 512 HE3 LYS 63 HE3 LYS 63 16.308 -3.897 6.700 513 HZ1 LYS 63 HZ1 LYS 63 18.568 -2.523 5.386 514 HZ2 LYS 63 HZ2 LYS 63 18.744 -3.631 6.536 515 HZ3 LYS 63 HZ3 LYS 63 18.106 -4.072 5.070 516 H GLU 64 H GLU 64 11.120 -3.435 4.738 517 HA GLU 64 HA GLU 64 9.853 -4.796 5.880 518 HB2 GLU 64 HB2 GLU 64 12.034 -4.212 7.904 519 HB3 GLU 64 HB3 GLU 64 10.782 -5.428 8.157 520 HG2 GLU 64 HG2 GLU 64 12.591 -6.617 7.270 521 HG3 GLU 64 HG3 GLU 64 11.405 -6.514 5.984 522 H SER 65 H SER 65 8.696 -2.281 5.660 523 HA SER 65 HA SER 65 7.482 -1.599 8.243 524 HB2 SER 65 HB2 SER 65 6.325 0.123 6.722 525 HB3 SER 65 HB3 SER 65 8.053 0.314 7.053 526 HG SER 65 HG SER 65 8.495 0.025 5.050 527 H THR 66 H THR 66 5.020 -1.471 8.335 528 HA THR 66 HA THR 66 3.707 -3.479 6.591 529 HB THR 66 HB THR 66 3.330 -3.275 9.591 530 HG1 THR 66 HG1 THR 66 5.186 -4.469 9.065 531 HG21 THR 66 HG21 THR 66 2.067 -5.101 7.481 532 HG22 THR 66 HG22 THR 66 1.860 -5.233 9.239 533 HG23 THR 66 HG23 THR 66 1.222 -3.821 8.372 534 H LEU 67 H LEU 67 2.414 -2.451 5.373 535 HA LEU 67 HA LEU 67 1.105 0.086 6.175 536 HB2 LEU 67 HB2 LEU 67 1.455 -1.314 3.483 537 HB3 LEU 67 HB3 LEU 67 0.642 0.223 3.759 538 HG LEU 67 HG LEU 67 2.802 1.199 4.588 539 HD11 LEU 67 HD11 LEU 67 4.935 0.079 3.740 540 HD12 LEU 67 HD12 LEU 67 4.252 -0.612 5.190 541 HD13 LEU 67 HD13 LEU 67 4.005 -1.428 3.627 542 HD21 LEU 67 HD21 LEU 67 3.715 1.505 2.341 543 HD22 LEU 67 HD22 LEU 67 2.863 0.057 1.765 544 HD23 LEU 67 HD23 LEU 67 1.953 1.489 2.292 545 H HIS 68 H HIS 68 -1.233 0.306 5.569 546 HA HIS 68 HA HIS 68 -2.755 -2.258 5.747 547 HB2 HIS 68 HB2 HIS 68 -3.244 0.431 7.080 548 HB3 HIS 68 HB3 HIS 68 -4.459 -0.836 6.974 549 HD1 HIS 68 HD1 HIS 68 -1.178 -0.071 8.881 550 HD2 HIS 68 HD2 HIS 68 -4.253 -2.962 8.535 551 HE1 HIS 68 HE1 HIS 68 -1.103 -1.456 10.974 552 H LEU 69 H LEU 69 -4.979 -2.111 4.894 553 HA LEU 69 HA LEU 69 -5.268 -0.171 2.663 554 HB2 LEU 69 HB2 LEU 69 -6.266 -3.036 2.789 555 HB3 LEU 69 HB3 LEU 69 -6.583 -1.882 1.500 556 HG LEU 69 HG LEU 69 -3.910 -3.126 2.207 557 HD11 LEU 69 HD11 LEU 69 -5.393 -3.224 -0.431 558 HD12 LEU 69 HD12 LEU 69 -4.075 -4.265 0.132 559 HD13 LEU 69 HD13 LEU 69 -5.702 -4.421 0.827 560 HD21 LEU 69 HD21 LEU 69 -4.531 -1.010 0.093 561 HD22 LEU 69 HD22 LEU 69 -3.464 -0.828 1.498 562 HD23 LEU 69 HD23 LEU 69 -3.016 -1.931 0.201 563 H VAL 70 H VAL 70 -7.152 0.965 2.637 564 HA VAL 70 HA VAL 70 -9.401 0.150 4.375 565 HB VAL 70 HB VAL 70 -9.559 2.217 5.506 566 HG11 VAL 70 HG11 VAL 70 -6.552 1.715 5.539 567 HG12 VAL 70 HG12 VAL 70 -7.541 2.498 6.783 568 HG13 VAL 70 HG13 VAL 70 -7.745 0.782 6.459 569 HG21 VAL 70 HG21 VAL 70 -7.411 3.340 3.667 570 HG22 VAL 70 HG22 VAL 70 -9.111 3.837 3.771 571 HG23 VAL 70 HG23 VAL 70 -8.042 4.170 5.119 572 H LEU 71 H LEU 71 -11.297 1.720 3.951 573 HA LEU 71 HA LEU 71 -11.328 2.934 1.320 574 HB2 LEU 71 HB2 LEU 71 -13.165 1.753 0.427 575 HB3 LEU 71 HB3 LEU 71 -11.954 0.563 0.823 576 HG LEU 71 HG LEU 71 -13.886 1.009 3.053 577 HD11 LEU 71 HD11 LEU 71 -15.802 0.011 2.018 578 HD12 LEU 71 HD12 LEU 71 -15.370 1.436 1.074 579 HD13 LEU 71 HD13 LEU 71 -14.963 -0.186 0.477 580 HD21 LEU 71 HD21 LEU 71 -13.095 -1.483 1.504 581 HD22 LEU 71 HD22 LEU 71 -12.278 -0.878 2.968 582 HD23 LEU 71 HD23 LEU 71 -13.961 -1.426 3.048 583 H ARG 72 H ARG 72 -14.032 3.564 1.203 584 HA ARG 72 HA ARG 72 -14.937 4.459 3.806 585 HB2 ARG 72 HB2 ARG 72 -13.309 6.258 2.793 586 HB3 ARG 72 HB3 ARG 72 -14.585 6.530 1.615 587 HG2 ARG 72 HG2 ARG 72 -15.476 7.958 3.107 588 HG3 ARG 72 HG3 ARG 72 -15.984 6.559 4.046 589 HD2 ARG 72 HD2 ARG 72 -13.577 6.716 5.081 590 HD3 ARG 72 HD3 ARG 72 -13.585 8.364 4.431 591 HE ARG 72 HE ARG 72 -15.950 8.258 5.800 592 HH11 ARG 72 HH11 ARG 72 -12.627 7.532 6.838 593 HH12 ARG 72 HH12 ARG 72 -13.031 7.627 8.538 594 HH21 ARG 72 HH21 ARG 72 -16.322 8.711 8.047 595 HH22 ARG 72 HH22 ARG 72 -15.017 8.390 9.170 596 H LEU 73 H LEU 73 -17.244 4.345 3.685 597 HA LEU 73 HA LEU 73 -18.552 4.417 1.055 598 HB2 LEU 73 HB2 LEU 73 -17.562 1.971 1.992 599 HB3 LEU 73 HB3 LEU 73 -19.201 1.927 2.596 600 HG LEU 73 HG LEU 73 -18.501 2.570 -0.301 601 HD11 LEU 73 HD11 LEU 73 -18.995 0.198 -0.790 602 HD12 LEU 73 HD12 LEU 73 -17.566 0.395 0.205 603 HD13 LEU 73 HD13 LEU 73 -19.084 -0.137 0.954 604 HD21 LEU 73 HD21 LEU 73 -21.073 1.666 1.058 605 HD22 LEU 73 HD22 LEU 73 -20.754 3.238 0.271 606 HD23 LEU 73 HD23 LEU 73 -20.847 1.775 -0.700 607 H ARG 74 H ARG 74 -20.539 5.471 1.402 608 HA ARG 74 HA ARG 74 -21.441 5.738 4.232 609 HB2 ARG 74 HB2 ARG 74 -22.466 7.045 1.679 610 HB3 ARG 74 HB3 ARG 74 -23.076 7.350 3.287 611 HG2 ARG 74 HG2 ARG 74 -20.484 8.238 2.074 612 HG3 ARG 74 HG3 ARG 74 -21.740 9.205 2.834 613 HD2 ARG 74 HD2 ARG 74 -19.814 7.300 4.261 614 HD3 ARG 74 HD3 ARG 74 -19.700 9.054 4.225 615 HE ARG 74 HE ARG 74 -21.542 7.411 5.801 616 HH11 ARG 74 HH11 ARG 74 -21.003 10.762 4.676 617 HH12 ARG 74 HH12 ARG 74 -21.564 11.438 6.150 618 HH21 ARG 74 HH21 ARG 74 -22.721 8.354 7.493 619 HH22 ARG 74 HH22 ARG 74 -22.678 10.062 7.717 620 H GLY 75 H GLY 75 -22.131 3.852 1.424 621 HA2 GLY 75 HA2 GLY 75 -24.921 3.345 2.007 622 HA3 GLY 75 HA3 GLY 75 -23.888 2.525 0.845 623 H GLY 76 H GLY 76 -22.610 2.611 4.131 624 HA2 GLY 76 HA2 GLY 76 -23.827 0.419 5.337 625 HA3 GLY 76 HA3 GLY 76 -22.452 -0.178 4.379 Start of MODEL 13 1 H1 MET 1 H MET 1 14.977 -5.494 -0.838 2 HA MET 1 HA MET 1 14.173 -4.620 1.878 3 HB2 MET 1 HB2 MET 1 14.902 -2.663 0.663 4 HB3 MET 1 HB3 MET 1 13.937 -3.110 -0.753 5 HG2 MET 1 HG2 MET 1 11.865 -2.861 0.596 6 HG3 MET 1 HG3 MET 1 12.826 -2.452 2.002 7 HE1 MET 1 HE1 MET 1 14.985 -0.338 0.187 8 HE2 MET 1 HE2 MET 1 14.234 1.114 0.863 9 HE3 MET 1 HE3 MET 1 14.539 -0.283 1.906 10 H GLN 2 H GLN 2 12.276 -5.452 2.495 11 HA GLN 2 HA GLN 2 10.310 -6.180 0.462 12 HB2 GLN 2 HB2 GLN 2 9.612 -8.149 1.483 13 HB3 GLN 2 HB3 GLN 2 11.335 -8.315 1.160 14 HG2 GLN 2 HG2 GLN 2 11.862 -8.055 3.516 15 HG3 GLN 2 HG3 GLN 2 10.203 -7.558 3.888 16 HE21 GLN 2 HE21 GLN 2 9.280 -10.884 4.597 17 HE22 GLN 2 HE22 GLN 2 9.044 -9.183 4.955 18 H ILE 3 H ILE 3 8.082 -5.799 1.350 19 HA ILE 3 HA ILE 3 7.977 -4.438 3.978 20 HB ILE 3 HB ILE 3 6.455 -2.732 3.167 21 HG12 ILE 3 HG12 ILE 3 7.158 -3.527 0.310 22 HG13 ILE 3 HG13 ILE 3 5.644 -3.902 1.119 23 HG21 ILE 3 HG21 ILE 3 8.106 -1.192 2.290 24 HG22 ILE 3 HG22 ILE 3 8.839 -2.241 3.494 25 HG23 ILE 3 HG23 ILE 3 9.163 -2.527 1.788 26 HD11 ILE 3 HD11 ILE 3 5.336 -1.971 -0.283 27 HD12 ILE 3 HD12 ILE 3 5.180 -1.484 1.417 28 HD13 ILE 3 HD13 ILE 3 6.662 -1.109 0.507 29 H PHE 4 H PHE 4 5.605 -4.351 4.684 30 HA PHE 4 HA PHE 4 4.174 -6.696 3.613 31 HB2 PHE 4 HB2 PHE 4 4.347 -5.701 6.471 32 HB3 PHE 4 HB3 PHE 4 3.417 -7.082 5.921 33 HD1 PHE 4 HD1 PHE 4 4.590 -9.195 5.188 34 HD2 PHE 4 HD2 PHE 4 6.700 -5.872 6.974 35 HE1 PHE 4 HE1 PHE 4 6.415 -10.713 5.870 36 HE2 PHE 4 HE2 PHE 4 8.540 -7.392 7.609 37 HZ PHE 4 HZ PHE 4 8.375 -9.832 7.129 38 H VAL 5 H VAL 5 1.877 -6.579 3.693 39 HA VAL 5 HA VAL 5 0.706 -3.939 4.352 40 HB VAL 5 HB VAL 5 0.095 -5.384 1.744 41 HG11 VAL 5 HG11 VAL 5 -1.787 -4.074 2.635 42 HG12 VAL 5 HG12 VAL 5 -0.738 -2.658 2.850 43 HG13 VAL 5 HG13 VAL 5 -1.104 -3.264 1.222 44 HG21 VAL 5 HG21 VAL 5 1.165 -3.496 0.568 45 HG22 VAL 5 HG22 VAL 5 1.715 -2.821 2.119 46 HG23 VAL 5 HG23 VAL 5 2.341 -4.363 1.543 47 H LYS 6 H LYS 6 -1.201 -4.146 5.393 48 HA LYS 6 HA LYS 6 -2.304 -6.893 5.857 49 HB2 LYS 6 HB2 LYS 6 -1.642 -5.548 7.871 50 HB3 LYS 6 HB3 LYS 6 -2.724 -4.269 7.352 51 HG2 LYS 6 HG2 LYS 6 -3.842 -5.489 9.086 52 HG3 LYS 6 HG3 LYS 6 -4.673 -5.813 7.587 53 HD2 LYS 6 HD2 LYS 6 -4.507 -7.847 8.925 54 HD3 LYS 6 HD3 LYS 6 -3.635 -8.016 7.429 55 HE2 LYS 6 HE2 LYS 6 -2.283 -9.044 9.030 56 HE3 LYS 6 HE3 LYS 6 -1.473 -7.519 8.689 57 HZ1 LYS 6 HZ1 LYS 6 -2.480 -6.659 10.758 58 HZ2 LYS 6 HZ2 LYS 6 -3.184 -8.149 11.013 59 HZ3 LYS 6 HZ3 LYS 6 -1.552 -7.984 11.038 60 H THR 7 H THR 7 -4.106 -7.383 4.576 61 HA THR 7 HA THR 7 -5.357 -5.212 3.036 62 HB THR 7 HB THR 7 -6.579 -6.970 1.915 63 HG1 THR 7 HG1 THR 7 -6.761 -8.980 2.685 64 HG21 THR 7 HG21 THR 7 -4.203 -6.724 1.205 65 HG22 THR 7 HG22 THR 7 -3.743 -7.999 2.356 66 HG23 THR 7 HG23 THR 7 -4.817 -8.369 0.993 67 H LEU 8 H LEU 8 -7.775 -5.126 2.914 68 HA LEU 8 HA LEU 8 -8.871 -4.817 5.557 69 HB2 LEU 8 HB2 LEU 8 -10.598 -3.741 4.631 70 HB3 LEU 8 HB3 LEU 8 -9.386 -3.452 3.399 71 HG LEU 8 HG LEU 8 -11.599 -5.568 3.262 72 HD11 LEU 8 HD11 LEU 8 -12.484 -3.292 3.266 73 HD12 LEU 8 HD12 LEU 8 -11.360 -2.822 1.965 74 HD13 LEU 8 HD13 LEU 8 -12.644 -4.004 1.663 75 HD21 LEU 8 HD21 LEU 8 -9.939 -4.559 0.941 76 HD22 LEU 8 HD22 LEU 8 -9.566 -6.065 1.812 77 HD23 LEU 8 HD23 LEU 8 -11.106 -5.882 0.962 78 H THR 9 H THR 9 -8.446 -7.605 3.734 79 HA THR 9 HA THR 9 -10.865 -8.973 4.737 80 HB THR 9 HB THR 9 -10.302 -10.744 3.260 81 HG1 THR 9 HG1 THR 9 -8.296 -11.116 3.140 82 HG21 THR 9 HG21 THR 9 -9.526 -8.313 1.610 83 HG22 THR 9 HG22 THR 9 -10.416 -9.756 1.109 84 HG23 THR 9 HG23 THR 9 -11.185 -8.577 2.187 85 H GLY 10 H GLY 10 -7.645 -8.256 5.723 86 HA2 GLY 10 HA2 GLY 10 -6.809 -8.833 7.808 87 HA3 GLY 10 HA3 GLY 10 -7.734 -10.333 7.807 88 H LYS 11 H LYS 11 -6.172 -9.856 4.737 89 HA LYS 11 HA LYS 11 -4.328 -12.062 5.404 90 HB2 LYS 11 HB2 LYS 11 -4.601 -10.355 2.868 91 HB3 LYS 11 HB3 LYS 11 -3.551 -11.727 2.999 92 HG2 LYS 11 HG2 LYS 11 -6.567 -11.885 3.266 93 HG3 LYS 11 HG3 LYS 11 -5.696 -12.106 1.762 94 HD2 LYS 11 HD2 LYS 11 -5.502 -13.794 4.255 95 HD3 LYS 11 HD3 LYS 11 -6.301 -14.254 2.758 96 HE2 LYS 11 HE2 LYS 11 -3.295 -13.800 3.107 97 HE3 LYS 11 HE3 LYS 11 -4.106 -15.369 3.040 98 HZ1 LYS 11 HZ1 LYS 11 -4.115 -13.429 0.780 99 HZ2 LYS 11 HZ2 LYS 11 -3.148 -14.743 0.898 100 HZ3 LYS 11 HZ3 LYS 11 -4.747 -14.950 0.802 101 H THR 12 H THR 12 -2.011 -11.840 4.921 102 HA THR 12 HA THR 12 -0.927 -9.094 5.230 103 HB THR 12 HB THR 12 -0.253 -11.716 6.560 104 HG1 THR 12 HG1 THR 12 -0.468 -10.480 8.342 105 HG21 THR 12 HG21 THR 12 1.812 -10.621 7.481 106 HG22 THR 12 HG22 THR 12 1.928 -10.994 5.756 107 HG23 THR 12 HG23 THR 12 1.627 -9.327 6.279 108 H ILE 13 H ILE 13 0.418 -8.575 3.637 109 HA ILE 13 HA ILE 13 1.175 -10.607 1.605 110 HB ILE 13 HB ILE 13 0.924 -7.613 1.185 111 HG12 ILE 13 HG12 ILE 13 -1.306 -8.180 1.951 112 HG13 ILE 13 HG13 ILE 13 -1.305 -7.803 0.254 113 HG21 ILE 13 HG21 ILE 13 2.129 -8.807 -0.566 114 HG22 ILE 13 HG22 ILE 13 0.792 -9.950 -0.765 115 HG23 ILE 13 HG23 ILE 13 0.591 -8.239 -1.189 116 HD11 ILE 13 HD11 ILE 13 -2.774 -9.712 0.756 117 HD12 ILE 13 HD12 ILE 13 -1.459 -10.214 -0.310 118 HD13 ILE 13 HD13 ILE 13 -1.414 -10.635 1.408 119 H THR 14 H THR 14 3.253 -10.201 0.662 120 HA THR 14 HA THR 14 5.202 -8.541 2.108 121 HB THR 14 HB THR 14 5.706 -11.408 1.243 122 HG1 THR 14 HG1 THR 14 4.508 -11.510 3.104 123 HG21 THR 14 HG21 THR 14 7.367 -9.343 2.754 124 HG22 THR 14 HG22 THR 14 7.810 -11.049 2.570 125 HG23 THR 14 HG23 THR 14 7.719 -10.013 1.140 126 H LEU 15 H LEU 15 6.330 -7.321 0.530 127 HA LEU 15 HA LEU 15 6.440 -8.251 -2.283 128 HB2 LEU 15 HB2 LEU 15 5.337 -5.568 -1.318 129 HB3 LEU 15 HB3 LEU 15 5.889 -5.847 -2.960 130 HG LEU 15 HG LEU 15 3.604 -7.400 -1.678 131 HD11 LEU 15 HD11 LEU 15 2.194 -5.976 -3.186 132 HD12 LEU 15 HD12 LEU 15 2.961 -5.083 -1.861 133 HD13 LEU 15 HD13 LEU 15 3.621 -4.968 -3.503 134 HD21 LEU 15 HD21 LEU 15 4.690 -7.241 -4.512 135 HD22 LEU 15 HD22 LEU 15 4.621 -8.674 -3.488 136 HD23 LEU 15 HD23 LEU 15 3.120 -7.960 -4.107 137 H GLU 16 H GLU 16 8.221 -7.385 -3.408 138 HA GLU 16 HA GLU 16 10.320 -6.076 -1.763 139 HB2 GLU 16 HB2 GLU 16 11.053 -8.127 -2.698 140 HB3 GLU 16 HB3 GLU 16 10.330 -7.754 -4.273 141 HG2 GLU 16 HG2 GLU 16 12.007 -6.192 -4.844 142 HG3 GLU 16 HG3 GLU 16 12.525 -5.983 -3.176 143 H VAL 17 H VAL 17 10.424 -3.931 -1.979 144 HA VAL 17 HA VAL 17 10.060 -2.715 -4.650 145 HB VAL 17 HB VAL 17 8.565 -1.105 -4.033 146 HG11 VAL 17 HG11 VAL 17 7.493 -3.364 -4.235 147 HG12 VAL 17 HG12 VAL 17 7.459 -3.471 -2.466 148 HG13 VAL 17 HG13 VAL 17 6.548 -2.199 -3.309 149 HG21 VAL 17 HG21 VAL 17 9.337 -0.264 -1.961 150 HG22 VAL 17 HG22 VAL 17 7.638 -0.689 -1.772 151 HG23 VAL 17 HG23 VAL 17 8.898 -1.741 -1.094 152 H GLU 18 H GLU 18 10.703 -0.047 -4.067 153 HA GLU 18 HA GLU 18 13.070 -0.143 -2.365 154 HB2 GLU 18 HB2 GLU 18 14.587 0.479 -4.096 155 HB3 GLU 18 HB3 GLU 18 13.722 -0.949 -4.598 156 HG2 GLU 18 HG2 GLU 18 12.154 0.764 -5.869 157 HG3 GLU 18 HG3 GLU 18 13.529 1.858 -5.694 158 HA PRO 19 HA PRO 19 12.082 3.908 -1.232 159 HB2 PRO 19 HB2 PRO 19 14.614 5.062 -2.398 160 HB3 PRO 19 HB3 PRO 19 13.937 5.259 -0.748 161 HG2 PRO 19 HG2 PRO 19 16.005 3.571 -1.178 162 HG3 PRO 19 HG3 PRO 19 14.652 3.091 -0.103 163 HD2 PRO 19 HD2 PRO 19 15.095 2.358 -3.012 164 HD3 PRO 19 HD3 PRO 19 14.643 1.289 -1.648 165 H SER 20 H SER 20 13.036 3.569 -4.631 166 HA SER 20 HA SER 20 11.408 5.977 -5.249 167 HB2 SER 20 HB2 SER 20 13.581 4.707 -6.916 168 HB3 SER 20 HB3 SER 20 12.761 6.265 -7.177 169 HG SER 20 HG SER 20 13.605 6.986 -5.197 170 H ASP 21 H ASP 21 10.213 3.313 -4.720 171 HA ASP 21 HA ASP 21 9.148 2.593 -7.427 172 HB2 ASP 21 HB2 ASP 21 9.789 0.747 -5.838 173 HB3 ASP 21 HB3 ASP 21 8.640 1.380 -4.666 174 H THR 22 H THR 22 7.087 3.631 -7.945 175 HA THR 22 HA THR 22 6.165 5.614 -6.004 176 HB THR 22 HB THR 22 4.283 5.867 -7.759 177 HG1 THR 22 HG1 THR 22 5.733 4.964 -9.792 178 HG21 THR 22 HG21 THR 22 7.144 6.492 -8.563 179 HG22 THR 22 HG22 THR 22 5.677 7.189 -9.282 180 HG23 THR 22 HG23 THR 22 6.068 7.502 -7.587 181 H ILE 23 H ILE 23 3.983 5.705 -5.154 182 HA ILE 23 HA ILE 23 3.136 3.212 -4.047 183 HB ILE 23 HB ILE 23 1.562 5.762 -4.383 184 HG12 ILE 23 HG12 ILE 23 3.569 6.260 -3.147 185 HG13 ILE 23 HG13 ILE 23 2.202 6.262 -2.050 186 HG21 ILE 23 HG21 ILE 23 -0.035 4.069 -3.828 187 HG22 ILE 23 HG22 ILE 23 1.020 3.382 -2.584 188 HG23 ILE 23 HG23 ILE 23 0.269 4.979 -2.346 189 HD11 ILE 23 HD11 ILE 23 4.299 4.065 -2.298 190 HD12 ILE 23 HD12 ILE 23 4.114 5.229 -0.978 191 HD13 ILE 23 HD13 ILE 23 2.875 3.991 -1.231 192 H GLU 24 H GLU 24 2.405 4.722 -7.124 193 HA GLU 24 HA GLU 24 0.021 3.466 -7.902 194 HB2 GLU 24 HB2 GLU 24 1.329 5.227 -9.151 195 HB3 GLU 24 HB3 GLU 24 2.540 4.037 -9.560 196 HG2 GLU 24 HG2 GLU 24 0.951 2.787 -10.914 197 HG3 GLU 24 HG3 GLU 24 -0.389 3.794 -10.340 198 H ASN 25 H ASN 25 3.388 2.430 -8.176 199 HA ASN 25 HA ASN 25 2.922 -0.159 -9.290 200 HB2 ASN 25 HB2 ASN 25 5.334 1.221 -8.053 201 HB3 ASN 25 HB3 ASN 25 5.349 -0.453 -8.576 202 HD21 ASN 25 HD21 ASN 25 5.270 2.445 -11.434 203 HD22 ASN 25 HD22 ASN 25 5.359 2.869 -9.746 204 H VAL 26 H VAL 26 3.791 0.906 -5.936 205 HA VAL 26 HA VAL 26 3.813 -1.653 -4.750 206 HB VAL 26 HB VAL 26 2.735 0.918 -3.499 207 HG11 VAL 26 HG11 VAL 26 2.248 -1.037 -2.096 208 HG12 VAL 26 HG12 VAL 26 3.933 -1.575 -2.220 209 HG13 VAL 26 HG13 VAL 26 3.522 -0.075 -1.354 210 HG21 VAL 26 HG21 VAL 26 5.065 1.234 -4.415 211 HG22 VAL 26 HG22 VAL 26 4.919 1.417 -2.678 212 HG23 VAL 26 HG23 VAL 26 5.608 -0.074 -3.376 213 H LYS 27 H LYS 27 1.042 0.555 -5.317 214 HA LYS 27 HA LYS 27 -0.892 -1.196 -4.109 215 HB2 LYS 27 HB2 LYS 27 -0.865 1.379 -4.365 216 HB3 LYS 27 HB3 LYS 27 -1.424 1.079 -6.020 217 HG2 LYS 27 HG2 LYS 27 -3.362 -0.217 -4.956 218 HG3 LYS 27 HG3 LYS 27 -2.749 0.267 -3.375 219 HD2 LYS 27 HD2 LYS 27 -4.571 1.730 -4.053 220 HD3 LYS 27 HD3 LYS 27 -3.051 2.652 -3.999 221 HE2 LYS 27 HE2 LYS 27 -2.801 2.568 -6.393 222 HE3 LYS 27 HE3 LYS 27 -4.100 1.381 -6.558 223 HZ1 LYS 27 HZ1 LYS 27 -5.660 3.008 -5.929 224 HZ2 LYS 27 HZ2 LYS 27 -4.505 4.172 -5.667 225 HZ3 LYS 27 HZ3 LYS 27 -4.787 3.574 -7.186 226 H ALA 28 H ALA 28 0.647 -1.303 -7.198 227 HA ALA 28 HA ALA 28 -1.624 -2.655 -8.539 228 HB1 ALA 28 HB1 ALA 28 1.228 -2.192 -9.527 229 HB2 ALA 28 HB2 ALA 28 -0.202 -2.687 -10.464 230 HB3 ALA 28 HB3 ALA 28 -0.128 -1.069 -9.748 231 H LYS 29 H LYS 29 1.683 -3.248 -7.353 232 HA LYS 29 HA LYS 29 1.960 -5.949 -7.920 233 HB2 LYS 29 HB2 LYS 29 3.048 -4.212 -5.678 234 HB3 LYS 29 HB3 LYS 29 3.477 -5.923 -5.837 235 HG2 LYS 29 HG2 LYS 29 4.371 -5.579 -8.066 236 HG3 LYS 29 HG3 LYS 29 3.912 -3.879 -8.068 237 HD2 LYS 29 HD2 LYS 29 5.646 -4.778 -5.786 238 HD3 LYS 29 HD3 LYS 29 6.396 -4.847 -7.369 239 HE2 LYS 29 HE2 LYS 29 4.942 -2.297 -6.727 240 HE3 LYS 29 HE3 LYS 29 6.385 -2.623 -5.775 241 HZ1 LYS 29 HZ1 LYS 29 7.634 -2.871 -7.848 242 HZ2 LYS 29 HZ2 LYS 29 6.336 -2.437 -8.722 243 HZ3 LYS 29 HZ3 LYS 29 7.015 -1.378 -7.645 244 H ILE 30 H ILE 30 0.157 -4.512 -5.176 245 HA ILE 30 HA ILE 30 -0.346 -7.034 -3.893 246 HB ILE 30 HB ILE 30 -2.192 -5.829 -2.704 247 HG12 ILE 30 HG12 ILE 30 -1.243 -3.391 -4.221 248 HG13 ILE 30 HG13 ILE 30 -2.748 -4.245 -4.577 249 HG21 ILE 30 HG21 ILE 30 -0.714 -4.463 -1.352 250 HG22 ILE 30 HG22 ILE 30 0.157 -5.899 -1.875 251 HG23 ILE 30 HG23 ILE 30 0.464 -4.336 -2.673 252 HD11 ILE 30 HD11 ILE 30 -3.560 -3.752 -2.284 253 HD12 ILE 30 HD12 ILE 30 -2.094 -2.769 -2.009 254 HD13 ILE 30 HD13 ILE 30 -3.257 -2.304 -3.260 255 H GLN 31 H GLN 31 -1.913 -5.517 -6.727 256 HA GLN 31 HA GLN 31 -4.364 -7.049 -6.513 257 HB2 GLN 31 HB2 GLN 31 -3.083 -5.706 -8.945 258 HB3 GLN 31 HB3 GLN 31 -4.757 -6.225 -8.798 259 HG2 GLN 31 HG2 GLN 31 -5.237 -4.539 -7.152 260 HG3 GLN 31 HG3 GLN 31 -3.541 -4.127 -6.958 261 HE21 GLN 31 HE21 GLN 31 -4.314 -1.374 -9.028 262 HE22 GLN 31 HE22 GLN 31 -4.049 -1.910 -7.363 263 H ASP 32 H ASP 32 -1.121 -7.618 -7.745 264 HA ASP 32 HA ASP 32 -1.816 -9.879 -9.477 265 HB2 ASP 32 HB2 ASP 32 0.190 -8.940 -10.117 266 HB3 ASP 32 HB3 ASP 32 0.685 -8.553 -8.480 267 H LYS 33 H LYS 33 -0.670 -9.394 -6.137 268 HA LYS 33 HA LYS 33 -0.663 -12.256 -5.574 269 HB2 LYS 33 HB2 LYS 33 -0.060 -9.784 -3.912 270 HB3 LYS 33 HB3 LYS 33 -0.047 -11.425 -3.264 271 HG2 LYS 33 HG2 LYS 33 1.546 -12.023 -5.188 272 HG3 LYS 33 HG3 LYS 33 1.769 -10.277 -5.414 273 HD2 LYS 33 HD2 LYS 33 2.604 -10.025 -3.144 274 HD3 LYS 33 HD3 LYS 33 2.099 -11.652 -2.726 275 HE2 LYS 33 HE2 LYS 33 4.333 -10.993 -4.688 276 HE3 LYS 33 HE3 LYS 33 4.531 -11.525 -3.009 277 HZ1 LYS 33 HZ1 LYS 33 3.169 -13.528 -3.724 278 HZ2 LYS 33 HZ2 LYS 33 3.497 -13.060 -5.283 279 HZ3 LYS 33 HZ3 LYS 33 4.713 -13.465 -4.246 280 H GLU 34 H GLU 34 -3.279 -9.873 -5.235 281 HA GLU 34 HA GLU 34 -4.735 -11.957 -3.750 282 HB2 GLU 34 HB2 GLU 34 -3.494 -10.263 -2.184 283 HB3 GLU 34 HB3 GLU 34 -4.666 -9.094 -2.736 284 HG2 GLU 34 HG2 GLU 34 -5.500 -9.895 -0.692 285 HG3 GLU 34 HG3 GLU 34 -6.459 -10.776 -1.872 286 H GLY 35 H GLY 35 -7.094 -11.526 -3.731 287 HA2 GLY 35 HA2 GLY 35 -8.021 -10.492 -6.266 288 HA3 GLY 35 HA3 GLY 35 -8.947 -11.282 -5.002 289 H ILE 36 H ILE 36 -7.182 -8.118 -5.418 290 HA ILE 36 HA ILE 36 -9.659 -6.755 -4.448 291 HB ILE 36 HB ILE 36 -8.035 -5.152 -3.249 292 HG12 ILE 36 HG12 ILE 36 -6.373 -7.707 -3.044 293 HG13 ILE 36 HG13 ILE 36 -5.905 -6.327 -4.026 294 HG21 ILE 36 HG21 ILE 36 -8.646 -7.890 -2.045 295 HG22 ILE 36 HG22 ILE 36 -8.431 -6.364 -1.165 296 HG23 ILE 36 HG23 ILE 36 -9.818 -6.569 -2.223 297 HD11 ILE 36 HD11 ILE 36 -6.158 -6.383 -0.997 298 HD12 ILE 36 HD12 ILE 36 -4.686 -6.244 -1.966 299 HD13 ILE 36 HD13 ILE 36 -5.859 -4.914 -1.958 300 HA PRO 37 HA PRO 37 -8.404 -4.822 -8.358 301 HB2 PRO 37 HB2 PRO 37 -11.127 -3.580 -8.228 302 HB3 PRO 37 HB3 PRO 37 -10.419 -4.581 -9.525 303 HG2 PRO 37 HG2 PRO 37 -12.375 -5.536 -7.883 304 HG3 PRO 37 HG3 PRO 37 -11.031 -6.579 -8.454 305 HD2 PRO 37 HD2 PRO 37 -11.276 -5.129 -5.801 306 HD3 PRO 37 HD3 PRO 37 -10.815 -6.827 -6.144 307 HA PRO 38 HA PRO 38 -7.686 -0.616 -6.968 308 HB2 PRO 38 HB2 PRO 38 -7.454 0.869 -9.233 309 HB3 PRO 38 HB3 PRO 38 -6.350 -0.488 -8.902 310 HG2 PRO 38 HG2 PRO 38 -8.867 -0.537 -10.606 311 HG3 PRO 38 HG3 PRO 38 -7.223 -1.100 -11.050 312 HD2 PRO 38 HD2 PRO 38 -9.142 -2.801 -10.092 313 HD3 PRO 38 HD3 PRO 38 -7.414 -3.021 -9.708 314 H ASP 39 H ASP 39 -10.193 -1.198 -6.297 315 HA ASP 39 HA ASP 39 -11.700 1.279 -6.617 316 HB2 ASP 39 HB2 ASP 39 -12.646 -0.162 -8.401 317 HB3 ASP 39 HB3 ASP 39 -12.930 -1.442 -7.209 318 H GLN 40 H GLN 40 -12.665 1.702 -4.633 319 HA GLN 40 HA GLN 40 -12.826 1.671 -2.337 320 HB2 GLN 40 HB2 GLN 40 -13.425 -1.295 -2.560 321 HB3 GLN 40 HB3 GLN 40 -14.034 -0.142 -1.389 322 HG2 GLN 40 HG2 GLN 40 -14.823 -0.430 -4.309 323 HG3 GLN 40 HG3 GLN 40 -15.770 -0.871 -2.905 324 HE21 GLN 40 HE21 GLN 40 -16.469 2.704 -4.411 325 HE22 GLN 40 HE22 GLN 40 -15.478 1.505 -5.238 326 H ASN 41 H ASN 41 -10.215 1.560 -3.185 327 HA ASN 41 HA ASN 41 -8.907 -0.037 -1.035 328 HB2 ASN 41 HB2 ASN 41 -9.091 -1.394 -3.178 329 HB3 ASN 41 HB3 ASN 41 -8.266 -0.125 -4.031 330 HD21 ASN 41 HD21 ASN 41 -6.192 -2.968 -2.434 331 HD22 ASN 41 HD22 ASN 41 -7.928 -2.908 -2.161 332 H ARG 42 H ARG 42 -7.251 1.207 -0.128 333 HA ARG 42 HA ARG 42 -5.739 3.155 -1.695 334 HB2 ARG 42 HB2 ARG 42 -7.700 4.503 -0.941 335 HB3 ARG 42 HB3 ARG 42 -7.428 3.976 0.730 336 HG2 ARG 42 HG2 ARG 42 -5.176 5.087 0.663 337 HG3 ARG 42 HG3 ARG 42 -5.524 5.657 -0.971 338 HD2 ARG 42 HD2 ARG 42 -7.240 6.307 1.465 339 HD3 ARG 42 HD3 ARG 42 -5.889 7.306 0.935 340 HE ARG 42 HE ARG 42 -8.537 7.193 -0.201 341 HH11 ARG 42 HH11 ARG 42 -5.161 8.065 -0.953 342 HH12 ARG 42 HH12 ARG 42 -5.635 9.245 -2.133 343 HH21 ARG 42 HH21 ARG 42 -9.112 8.610 -1.815 344 HH22 ARG 42 HH22 ARG 42 -7.926 9.584 -2.624 345 H LEU 43 H LEU 43 -3.688 3.210 -0.853 346 HA LEU 43 HA LEU 43 -3.065 1.378 1.362 347 HB2 LEU 43 HB2 LEU 43 -1.897 1.505 -0.930 348 HB3 LEU 43 HB3 LEU 43 -1.248 3.057 -0.414 349 HG LEU 43 HG LEU 43 -0.173 1.833 1.554 350 HD11 LEU 43 HD11 LEU 43 -1.542 -0.225 1.578 351 HD12 LEU 43 HD12 LEU 43 -0.964 -0.641 -0.048 352 HD13 LEU 43 HD13 LEU 43 0.160 -0.608 1.326 353 HD21 LEU 43 HD21 LEU 43 1.635 0.867 0.077 354 HD22 LEU 43 HD22 LEU 43 0.550 1.050 -1.312 355 HD23 LEU 43 HD23 LEU 43 1.116 2.477 -0.415 356 H ILE 44 H ILE 44 -2.310 2.037 3.360 357 HA ILE 44 HA ILE 44 -1.911 4.931 3.927 358 HB ILE 44 HB ILE 44 -3.350 2.928 5.708 359 HG12 ILE 44 HG12 ILE 44 -4.816 3.153 3.768 360 HG13 ILE 44 HG13 ILE 44 -5.491 3.765 5.256 361 HG21 ILE 44 HG21 ILE 44 -4.210 4.901 6.921 362 HG22 ILE 44 HG22 ILE 44 -2.449 4.814 6.942 363 HG23 ILE 44 HG23 ILE 44 -3.265 5.961 5.862 364 HD11 ILE 44 HD11 ILE 44 -6.045 5.181 3.300 365 HD12 ILE 44 HD12 ILE 44 -5.181 6.077 4.552 366 HD13 ILE 44 HD13 ILE 44 -4.333 5.550 3.081 367 H PHE 45 H PHE 45 -0.351 5.261 5.662 368 HA PHE 45 HA PHE 45 0.924 2.827 6.824 369 HB2 PHE 45 HB2 PHE 45 2.303 3.476 4.907 370 HB3 PHE 45 HB3 PHE 45 2.360 5.138 5.475 371 HD1 PHE 45 HD1 PHE 45 2.909 1.793 7.238 372 HD2 PHE 45 HD2 PHE 45 4.553 5.634 6.123 373 HE1 PHE 45 HE1 PHE 45 4.931 1.318 8.546 374 HE2 PHE 45 HE2 PHE 45 6.601 5.118 7.407 375 HZ PHE 45 HZ PHE 45 6.796 2.967 8.640 376 H ALA 46 H ALA 46 0.631 3.074 9.008 377 HA ALA 46 HA ALA 46 0.146 4.009 10.988 378 HB1 ALA 46 HB1 ALA 46 2.339 5.981 10.327 379 HB2 ALA 46 HB2 ALA 46 1.820 5.418 11.922 380 HB3 ALA 46 HB3 ALA 46 2.618 4.285 10.811 381 H GLY 47 H GLY 47 -1.681 4.747 9.174 382 HA2 GLY 47 HA2 GLY 47 -3.527 6.103 9.108 383 HA3 GLY 47 HA3 GLY 47 -2.782 7.171 10.294 384 H LYS 48 H LYS 48 -0.378 7.204 7.995 385 HA LYS 48 HA LYS 48 -1.441 9.687 6.854 386 HB2 LYS 48 HB2 LYS 48 0.901 9.557 7.546 387 HB3 LYS 48 HB3 LYS 48 1.211 8.238 6.414 388 HG2 LYS 48 HG2 LYS 48 1.289 9.601 4.596 389 HG3 LYS 48 HG3 LYS 48 0.003 10.661 5.152 390 HD2 LYS 48 HD2 LYS 48 2.782 10.737 6.386 391 HD3 LYS 48 HD3 LYS 48 2.330 11.663 4.949 392 HE2 LYS 48 HE2 LYS 48 0.480 12.739 6.183 393 HE3 LYS 48 HE3 LYS 48 0.919 11.855 7.653 394 HZ1 LYS 48 HZ1 LYS 48 2.670 13.776 6.234 395 HZ2 LYS 48 HZ2 LYS 48 1.791 14.155 7.555 396 HZ3 LYS 48 HZ3 LYS 48 3.008 13.051 7.679 397 H GLN 49 H GLN 49 -2.510 9.783 4.982 398 HA GLN 49 HA GLN 49 -3.210 7.364 3.564 399 HB2 GLN 49 HB2 GLN 49 -3.766 10.273 2.801 400 HB3 GLN 49 HB3 GLN 49 -4.572 8.843 2.184 401 HG2 GLN 49 HG2 GLN 49 -6.107 9.753 3.684 402 HG3 GLN 49 HG3 GLN 49 -5.400 8.406 4.570 403 HE21 GLN 49 HE21 GLN 49 -5.326 10.853 7.222 404 HE22 GLN 49 HE22 GLN 49 -6.233 9.532 6.518 405 H LEU 50 H LEU 50 -2.375 6.624 1.588 406 HA LEU 50 HA LEU 50 -0.261 8.290 0.319 407 HB2 LEU 50 HB2 LEU 50 -0.399 5.271 0.274 408 HB3 LEU 50 HB3 LEU 50 0.947 6.309 -0.148 409 HG LEU 50 HG LEU 50 -0.077 5.819 2.686 410 HD11 LEU 50 HD11 LEU 50 0.893 3.819 1.721 411 HD12 LEU 50 HD12 LEU 50 2.323 4.713 1.175 412 HD13 LEU 50 HD13 LEU 50 2.015 4.496 2.907 413 HD21 LEU 50 HD21 LEU 50 1.068 8.032 2.433 414 HD22 LEU 50 HD22 LEU 50 1.986 6.901 3.437 415 HD23 LEU 50 HD23 LEU 50 2.469 7.189 1.749 416 H GLU 51 H GLU 51 -0.102 8.019 -1.970 417 HA GLU 51 HA GLU 51 -1.811 6.433 -3.515 418 HB2 GLU 51 HB2 GLU 51 -3.123 8.073 -4.662 419 HB3 GLU 51 HB3 GLU 51 -3.541 8.002 -2.958 420 HG2 GLU 51 HG2 GLU 51 -1.800 10.052 -2.869 421 HG3 GLU 51 HG3 GLU 51 -2.330 10.229 -4.552 422 H ASP 52 H ASP 52 -1.535 7.388 -5.934 423 HA ASP 52 HA ASP 52 1.243 7.174 -6.403 424 HB2 ASP 52 HB2 ASP 52 0.658 7.200 -8.731 425 HB3 ASP 52 HB3 ASP 52 -0.465 6.153 -7.853 426 H GLY 53 H GLY 53 2.389 8.475 -7.888 427 HA2 GLY 53 HA2 GLY 53 3.001 10.517 -8.863 428 HA3 GLY 53 HA3 GLY 53 2.090 11.406 -7.625 429 H ARG 54 H ARG 54 3.040 9.528 -5.474 430 HA ARG 54 HA ARG 54 5.853 10.539 -5.181 431 HB2 ARG 54 HB2 ARG 54 3.623 10.209 -3.185 432 HB3 ARG 54 HB3 ARG 54 5.318 10.187 -2.659 433 HG2 ARG 54 HG2 ARG 54 5.646 12.396 -3.836 434 HG3 ARG 54 HG3 ARG 54 3.909 12.394 -4.191 435 HD2 ARG 54 HD2 ARG 54 3.777 12.022 -1.518 436 HD3 ARG 54 HD3 ARG 54 5.367 12.811 -1.593 437 HE ARG 54 HE ARG 54 3.462 14.222 -3.202 438 HH11 ARG 54 HH11 ARG 54 4.494 13.876 0.161 439 HH12 ARG 54 HH12 ARG 54 3.784 15.367 0.673 440 HH21 ARG 54 HH21 ARG 54 2.459 16.042 -2.590 441 HH22 ARG 54 HH22 ARG 54 2.468 16.627 -0.949 442 H THR 55 H THR 55 7.287 9.269 -3.780 443 HA THR 55 HA THR 55 7.004 6.356 -4.268 444 HB THR 55 HB THR 55 9.412 6.304 -4.415 445 HG1 THR 55 HG1 THR 55 9.340 9.138 -4.012 446 HG21 THR 55 HG21 THR 55 9.847 7.522 -6.488 447 HG22 THR 55 HG22 THR 55 8.289 6.694 -6.522 448 HG23 THR 55 HG23 THR 55 8.361 8.460 -6.282 449 H LEU 56 H LEU 56 8.449 5.080 -2.716 450 HA LEU 56 HA LEU 56 7.482 5.368 -0.079 451 HB2 LEU 56 HB2 LEU 56 9.816 3.830 -1.256 452 HB3 LEU 56 HB3 LEU 56 9.652 3.993 0.488 453 HG LEU 56 HG LEU 56 7.250 3.122 0.240 454 HD11 LEU 56 HD11 LEU 56 8.391 2.302 -2.469 455 HD12 LEU 56 HD12 LEU 56 6.964 1.573 -1.735 456 HD13 LEU 56 HD13 LEU 56 6.952 3.288 -2.183 457 HD21 LEU 56 HD21 LEU 56 9.574 1.264 -0.359 458 HD22 LEU 56 HD22 LEU 56 9.094 1.848 1.255 459 HD23 LEU 56 HD23 LEU 56 8.009 0.805 0.337 460 H SER 57 H SER 57 10.503 6.572 -1.520 461 HA SER 57 HA SER 57 11.784 7.469 0.826 462 HB2 SER 57 HB2 SER 57 12.782 7.172 -1.446 463 HB3 SER 57 HB3 SER 57 11.860 8.574 -2.013 464 HG SER 57 HG SER 57 13.997 9.045 -1.479 465 H ASP 58 H ASP 58 9.519 9.198 -1.417 466 HA ASP 58 HA ASP 58 9.643 11.713 -0.165 467 HB2 ASP 58 HB2 ASP 58 7.250 10.455 -1.562 468 HB3 ASP 58 HB3 ASP 58 7.465 12.170 -1.198 469 H TYR 59 H TYR 59 7.479 8.949 0.464 470 HA TYR 59 HA TYR 59 6.129 10.319 2.682 471 HB2 TYR 59 HB2 TYR 59 6.009 7.507 1.560 472 HB3 TYR 59 HB3 TYR 59 5.026 8.052 2.911 473 HD1 TYR 59 HD1 TYR 59 3.569 10.250 2.481 474 HD2 TYR 59 HD2 TYR 59 5.053 7.613 -0.596 475 HE1 TYR 59 HE1 TYR 59 1.666 10.864 1.038 476 HE2 TYR 59 HE2 TYR 59 3.166 8.259 -2.051 477 HH TYR 59 HH TYR 59 1.283 9.704 -2.318 478 H ASN 60 H ASN 60 9.173 8.978 2.491 479 HA ASN 60 HA ASN 60 10.686 8.091 3.864 480 HB2 ASN 60 HB2 ASN 60 10.436 10.240 4.907 481 HB3 ASN 60 HB3 ASN 60 9.116 9.629 5.907 482 HD21 ASN 60 HD21 ASN 60 11.506 9.261 8.474 483 HD22 ASN 60 HD22 ASN 60 10.060 10.037 7.849 484 H ILE 61 H ILE 61 8.962 6.254 3.096 485 HA ILE 61 HA ILE 61 7.968 4.675 5.378 486 HB ILE 61 HB ILE 61 8.027 4.184 2.365 487 HG12 ILE 61 HG12 ILE 61 5.725 4.875 4.246 488 HG13 ILE 61 HG13 ILE 61 6.543 6.037 3.223 489 HG21 ILE 61 HG21 ILE 61 6.631 2.541 4.542 490 HG22 ILE 61 HG22 ILE 61 6.504 2.275 2.791 491 HG23 ILE 61 HG23 ILE 61 8.041 2.018 3.592 492 HD11 ILE 61 HD11 ILE 61 4.833 3.717 2.283 493 HD12 ILE 61 HD12 ILE 61 4.477 5.445 2.188 494 HD13 ILE 61 HD13 ILE 61 5.783 4.767 1.206 495 H GLN 62 H GLN 62 9.136 3.058 6.307 496 HA GLN 62 HA GLN 62 11.960 2.765 5.494 497 HB2 GLN 62 HB2 GLN 62 10.460 1.624 7.904 498 HB3 GLN 62 HB3 GLN 62 12.210 1.676 7.672 499 HG2 GLN 62 HG2 GLN 62 10.356 4.035 8.156 500 HG3 GLN 62 HG3 GLN 62 11.620 3.414 9.215 501 HE21 GLN 62 HE21 GLN 62 12.562 6.093 6.270 502 HE22 GLN 62 HE22 GLN 62 10.941 5.668 6.663 503 H LYS 63 H LYS 63 12.930 0.545 5.706 504 HA LYS 63 HA LYS 63 11.506 -1.261 3.938 505 HB2 LYS 63 HB2 LYS 63 13.448 -2.654 4.076 506 HB3 LYS 63 HB3 LYS 63 13.959 -0.986 3.844 507 HG2 LYS 63 HG2 LYS 63 14.594 -0.830 6.229 508 HG3 LYS 63 HG3 LYS 63 14.016 -2.489 6.503 509 HD2 LYS 63 HD2 LYS 63 15.609 -3.283 4.722 510 HD3 LYS 63 HD3 LYS 63 16.240 -1.630 4.609 511 HE2 LYS 63 HE2 LYS 63 16.792 -1.779 7.075 512 HE3 LYS 63 HE3 LYS 63 16.304 -3.485 7.030 513 HZ1 LYS 63 HZ1 LYS 63 18.387 -2.328 5.283 514 HZ2 LYS 63 HZ2 LYS 63 18.722 -2.989 6.745 515 HZ3 LYS 63 HZ3 LYS 63 18.094 -3.924 5.525 516 H GLU 64 H GLU 64 10.978 -3.522 4.522 517 HA GLU 64 HA GLU 64 9.685 -4.901 5.685 518 HB2 GLU 64 HB2 GLU 64 11.893 -4.397 7.706 519 HB3 GLU 64 HB3 GLU 64 10.673 -5.662 7.837 520 HG2 GLU 64 HG2 GLU 64 12.454 -6.776 6.892 521 HG3 GLU 64 HG3 GLU 64 11.375 -6.496 5.543 522 H SER 65 H SER 65 8.629 -2.296 5.620 523 HA SER 65 HA SER 65 7.526 -1.616 8.220 524 HB2 SER 65 HB2 SER 65 6.278 0.070 6.720 525 HB3 SER 65 HB3 SER 65 8.025 0.252 6.919 526 HG SER 65 HG SER 65 8.311 -0.093 4.907 527 H THR 66 H THR 66 5.047 -1.381 8.360 528 HA THR 66 HA THR 66 3.612 -3.534 6.863 529 HB THR 66 HB THR 66 3.025 -2.939 9.760 530 HG1 THR 66 HG1 THR 66 5.238 -3.583 9.597 531 HG21 THR 66 HG21 THR 66 2.774 -5.488 8.093 532 HG22 THR 66 HG22 THR 66 2.088 -5.184 9.692 533 HG23 THR 66 HG23 THR 66 1.466 -4.312 8.273 534 H LEU 67 H LEU 67 2.375 -2.469 5.543 535 HA LEU 67 HA LEU 67 1.161 0.133 6.316 536 HB2 LEU 67 HB2 LEU 67 1.534 -1.268 3.639 537 HB3 LEU 67 HB3 LEU 67 0.637 0.223 3.868 538 HG LEU 67 HG LEU 67 2.753 1.266 4.821 539 HD11 LEU 67 HD11 LEU 67 4.920 0.265 3.932 540 HD12 LEU 67 HD12 LEU 67 4.235 -0.574 5.303 541 HD13 LEU 67 HD13 LEU 67 4.034 -1.253 3.674 542 HD21 LEU 67 HD21 LEU 67 3.667 1.720 2.588 543 HD22 LEU 67 HD22 LEU 67 2.814 0.309 1.939 544 HD23 LEU 67 HD23 LEU 67 1.907 1.713 2.558 545 H HIS 68 H HIS 68 -1.107 0.436 5.512 546 HA HIS 68 HA HIS 68 -2.808 -1.987 5.904 547 HB2 HIS 68 HB2 HIS 68 -2.963 0.823 7.045 548 HB3 HIS 68 HB3 HIS 68 -4.404 -0.151 6.866 549 HD1 HIS 68 HD1 HIS 68 -1.567 0.317 9.303 550 HD2 HIS 68 HD2 HIS 68 -4.412 -2.622 8.207 551 HE1 HIS 68 HE1 HIS 68 -1.879 -1.187 11.310 552 H LEU 69 H LEU 69 -4.887 -1.888 4.845 553 HA LEU 69 HA LEU 69 -5.045 -0.067 2.495 554 HB2 LEU 69 HB2 LEU 69 -5.578 -3.032 2.708 555 HB3 LEU 69 HB3 LEU 69 -6.273 -2.047 1.420 556 HG LEU 69 HG LEU 69 -3.282 -2.079 1.893 557 HD11 LEU 69 HD11 LEU 69 -4.898 -3.938 0.102 558 HD12 LEU 69 HD12 LEU 69 -3.130 -3.783 0.091 559 HD13 LEU 69 HD13 LEU 69 -3.947 -4.401 1.528 560 HD21 LEU 69 HD21 LEU 69 -4.974 -1.488 -0.574 561 HD22 LEU 69 HD22 LEU 69 -4.228 -0.266 0.461 562 HD23 LEU 69 HD23 LEU 69 -3.211 -1.369 -0.464 563 H VAL 70 H VAL 70 -6.955 1.147 2.514 564 HA VAL 70 HA VAL 70 -9.280 0.037 4.002 565 HB VAL 70 HB VAL 70 -9.598 2.014 5.297 566 HG11 VAL 70 HG11 VAL 70 -6.664 1.324 5.661 567 HG12 VAL 70 HG12 VAL 70 -7.797 1.964 6.865 568 HG13 VAL 70 HG13 VAL 70 -8.031 0.335 6.230 569 HG21 VAL 70 HG21 VAL 70 -7.261 3.201 3.796 570 HG22 VAL 70 HG22 VAL 70 -8.919 3.810 3.900 571 HG23 VAL 70 HG23 VAL 70 -7.883 3.884 5.323 572 H LEU 71 H LEU 71 -11.210 1.582 3.884 573 HA LEU 71 HA LEU 71 -11.431 3.142 1.436 574 HB2 LEU 71 HB2 LEU 71 -13.201 1.989 0.470 575 HB3 LEU 71 HB3 LEU 71 -12.060 0.730 0.842 576 HG LEU 71 HG LEU 71 -13.991 1.138 3.068 577 HD11 LEU 71 HD11 LEU 71 -15.983 0.409 2.011 578 HD12 LEU 71 HD12 LEU 71 -15.446 1.823 1.111 579 HD13 LEU 71 HD13 LEU 71 -15.195 0.199 0.447 580 HD21 LEU 71 HD21 LEU 71 -13.356 -1.273 1.351 581 HD22 LEU 71 HD22 LEU 71 -12.562 -0.822 2.883 582 HD23 LEU 71 HD23 LEU 71 -14.276 -1.263 2.869 583 H ARG 72 H ARG 72 -14.103 3.659 1.495 584 HA ARG 72 HA ARG 72 -15.080 4.314 4.136 585 HB2 ARG 72 HB2 ARG 72 -13.447 6.273 2.883 586 HB3 ARG 72 HB3 ARG 72 -15.070 6.726 2.411 587 HG2 ARG 72 HG2 ARG 72 -14.822 7.906 4.394 588 HG3 ARG 72 HG3 ARG 72 -15.643 6.451 4.964 589 HD2 ARG 72 HD2 ARG 72 -13.222 5.542 5.356 590 HD3 ARG 72 HD3 ARG 72 -12.703 7.219 5.211 591 HE ARG 72 HE ARG 72 -14.691 7.394 7.056 592 HH11 ARG 72 HH11 ARG 72 -11.841 5.251 6.928 593 HH12 ARG 72 HH12 ARG 72 -11.695 5.149 8.640 594 HH21 ARG 72 HH21 ARG 72 -14.767 6.886 9.214 595 HH22 ARG 72 HH22 ARG 72 -13.471 6.027 10.005 596 H LEU 73 H LEU 73 -17.371 4.167 3.909 597 HA LEU 73 HA LEU 73 -18.558 4.533 1.236 598 HB2 LEU 73 HB2 LEU 73 -17.968 1.924 2.441 599 HB3 LEU 73 HB3 LEU 73 -19.701 2.146 2.409 600 HG LEU 73 HG LEU 73 -17.874 2.413 -0.018 601 HD11 LEU 73 HD11 LEU 73 -18.804 0.261 -0.704 602 HD12 LEU 73 HD12 LEU 73 -18.039 0.090 0.870 603 HD13 LEU 73 HD13 LEU 73 -19.808 0.181 0.762 604 HD21 LEU 73 HD21 LEU 73 -20.910 2.535 0.302 605 HD22 LEU 73 HD22 LEU 73 -19.821 3.761 -0.412 606 HD23 LEU 73 HD23 LEU 73 -20.117 2.246 -1.243 607 H ARG 74 H ARG 74 -20.763 5.258 1.450 608 HA ARG 74 HA ARG 74 -21.672 5.540 4.272 609 HB2 ARG 74 HB2 ARG 74 -21.982 7.365 1.877 610 HB3 ARG 74 HB3 ARG 74 -23.206 7.337 3.121 611 HG2 ARG 74 HG2 ARG 74 -20.540 8.555 3.167 612 HG3 ARG 74 HG3 ARG 74 -22.031 9.071 3.927 613 HD2 ARG 74 HD2 ARG 74 -20.083 6.950 4.953 614 HD3 ARG 74 HD3 ARG 74 -20.264 8.592 5.567 615 HE ARG 74 HE ARG 74 -21.927 6.275 6.145 616 HH11 ARG 74 HH11 ARG 74 -21.927 9.853 6.325 617 HH12 ARG 74 HH12 ARG 74 -23.123 9.865 7.557 618 HH21 ARG 74 HH21 ARG 74 -23.560 6.331 7.588 619 HH22 ARG 74 HH22 ARG 74 -24.128 7.853 8.263 620 H GLY 75 H GLY 75 -22.308 3.908 1.358 621 HA2 GLY 75 HA2 GLY 75 -25.147 3.470 1.868 622 HA3 GLY 75 HA3 GLY 75 -24.125 2.672 0.661 623 H GLY 76 H GLY 76 -22.861 2.671 3.927 624 HA2 GLY 76 HA2 GLY 76 -24.001 0.557 5.237 625 HA3 GLY 76 HA3 GLY 76 -22.757 -0.143 4.170 Start of MODEL 14 1 H1 MET 1 H MET 1 14.759 -5.174 -1.599 2 HA MET 1 HA MET 1 14.438 -4.622 1.285 3 HB2 MET 1 HB2 MET 1 15.275 -2.700 0.064 4 HB3 MET 1 HB3 MET 1 13.978 -2.824 -1.117 5 HG2 MET 1 HG2 MET 1 12.308 -2.393 0.670 6 HG3 MET 1 HG3 MET 1 13.623 -2.254 1.842 7 HE1 MET 1 HE1 MET 1 12.682 0.079 2.649 8 HE2 MET 1 HE2 MET 1 12.214 1.388 1.543 9 HE3 MET 1 HE3 MET 1 11.333 -0.163 1.522 10 H GLN 2 H GLN 2 12.570 -5.386 2.182 11 HA GLN 2 HA GLN 2 10.226 -5.597 0.377 12 HB2 GLN 2 HB2 GLN 2 9.521 -7.601 1.602 13 HB3 GLN 2 HB3 GLN 2 11.041 -7.828 0.738 14 HG2 GLN 2 HG2 GLN 2 12.312 -7.680 2.813 15 HG3 GLN 2 HG3 GLN 2 10.872 -7.203 3.721 16 HE21 GLN 2 HE21 GLN 2 9.767 -10.546 4.189 17 HE22 GLN 2 HE22 GLN 2 9.506 -8.814 4.480 18 H ILE 3 H ILE 3 8.172 -5.514 1.362 19 HA ILE 3 HA ILE 3 7.953 -4.148 3.963 20 HB ILE 3 HB ILE 3 6.375 -2.508 3.123 21 HG12 ILE 3 HG12 ILE 3 7.122 -3.342 0.283 22 HG13 ILE 3 HG13 ILE 3 5.629 -3.818 1.083 23 HG21 ILE 3 HG21 ILE 3 7.980 -0.966 2.193 24 HG22 ILE 3 HG22 ILE 3 8.828 -2.010 3.331 25 HG23 ILE 3 HG23 ILE 3 9.007 -2.290 1.600 26 HD11 ILE 3 HD11 ILE 3 5.216 -1.919 -0.352 27 HD12 ILE 3 HD12 ILE 3 4.951 -1.465 1.339 28 HD13 ILE 3 HD13 ILE 3 6.424 -0.941 0.495 29 H PHE 4 H PHE 4 5.477 -4.125 4.590 30 HA PHE 4 HA PHE 4 4.172 -6.615 3.635 31 HB2 PHE 4 HB2 PHE 4 4.209 -5.485 6.440 32 HB3 PHE 4 HB3 PHE 4 3.337 -6.904 5.908 33 HD1 PHE 4 HD1 PHE 4 4.700 -8.940 5.045 34 HD2 PHE 4 HD2 PHE 4 6.402 -5.688 7.330 35 HE1 PHE 4 HE1 PHE 4 6.541 -10.422 5.799 36 HE2 PHE 4 HE2 PHE 4 8.235 -7.180 8.073 37 HZ PHE 4 HZ PHE 4 8.297 -9.550 7.331 38 H VAL 5 H VAL 5 1.853 -6.512 3.646 39 HA VAL 5 HA VAL 5 0.630 -3.872 4.212 40 HB VAL 5 HB VAL 5 0.058 -5.396 1.642 41 HG11 VAL 5 HG11 VAL 5 -1.844 -4.104 2.531 42 HG12 VAL 5 HG12 VAL 5 -0.830 -2.657 2.667 43 HG13 VAL 5 HG13 VAL 5 -1.215 -3.340 1.071 44 HG21 VAL 5 HG21 VAL 5 1.086 -3.519 0.415 45 HG22 VAL 5 HG22 VAL 5 1.622 -2.789 1.946 46 HG23 VAL 5 HG23 VAL 5 2.281 -4.330 1.417 47 H LYS 6 H LYS 6 -1.149 -4.121 5.407 48 HA LYS 6 HA LYS 6 -2.221 -6.830 5.962 49 HB2 LYS 6 HB2 LYS 6 -1.550 -5.416 7.877 50 HB3 LYS 6 HB3 LYS 6 -2.526 -4.086 7.258 51 HG2 LYS 6 HG2 LYS 6 -3.637 -5.127 9.138 52 HG3 LYS 6 HG3 LYS 6 -4.591 -5.296 7.689 53 HD2 LYS 6 HD2 LYS 6 -4.632 -7.324 9.068 54 HD3 LYS 6 HD3 LYS 6 -3.977 -7.628 7.468 55 HE2 LYS 6 HE2 LYS 6 -2.653 -8.868 8.978 56 HE3 LYS 6 HE3 LYS 6 -1.650 -7.495 8.510 57 HZ1 LYS 6 HZ1 LYS 6 -3.198 -7.815 11.007 58 HZ2 LYS 6 HZ2 LYS 6 -1.565 -7.877 10.863 59 HZ3 LYS 6 HZ3 LYS 6 -2.357 -6.436 10.640 60 H THR 7 H THR 7 -4.046 -7.424 4.779 61 HA THR 7 HA THR 7 -5.398 -5.427 3.135 62 HB THR 7 HB THR 7 -6.807 -7.301 2.467 63 HG1 THR 7 HG1 THR 7 -6.991 -9.039 3.518 64 HG21 THR 7 HG21 THR 7 -4.565 -7.133 1.372 65 HG22 THR 7 HG22 THR 7 -3.909 -8.254 2.590 66 HG23 THR 7 HG23 THR 7 -5.162 -8.797 1.457 67 H LEU 8 H LEU 8 -7.785 -5.163 3.270 68 HA LEU 8 HA LEU 8 -8.567 -4.380 5.894 69 HB2 LEU 8 HB2 LEU 8 -10.518 -3.610 4.923 70 HB3 LEU 8 HB3 LEU 8 -9.323 -3.417 3.642 71 HG LEU 8 HG LEU 8 -11.390 -5.679 3.850 72 HD11 LEU 8 HD11 LEU 8 -12.415 -3.505 3.428 73 HD12 LEU 8 HD12 LEU 8 -11.273 -3.190 2.105 74 HD13 LEU 8 HD13 LEU 8 -12.477 -4.484 1.964 75 HD21 LEU 8 HD21 LEU 8 -9.479 -4.999 1.595 76 HD22 LEU 8 HD22 LEU 8 -9.487 -6.505 2.548 77 HD23 LEU 8 HD23 LEU 8 -10.829 -6.136 1.467 78 H THR 9 H THR 9 -8.576 -7.495 4.461 79 HA THR 9 HA THR 9 -10.797 -8.572 6.043 80 HB THR 9 HB THR 9 -9.993 -10.688 4.777 81 HG1 THR 9 HG1 THR 9 -8.880 -10.280 2.888 82 HG21 THR 9 HG21 THR 9 -11.092 -8.318 3.212 83 HG22 THR 9 HG22 THR 9 -11.189 -10.033 2.730 84 HG23 THR 9 HG23 THR 9 -12.029 -9.477 4.184 85 H GLY 10 H GLY 10 -7.424 -7.949 6.434 86 HA2 GLY 10 HA2 GLY 10 -6.344 -8.345 8.430 87 HA3 GLY 10 HA3 GLY 10 -7.345 -9.755 8.756 88 H LYS 11 H LYS 11 -6.218 -9.768 5.483 89 HA LYS 11 HA LYS 11 -4.405 -12.002 6.135 90 HB2 LYS 11 HB2 LYS 11 -6.046 -11.218 3.914 91 HB3 LYS 11 HB3 LYS 11 -4.409 -11.040 3.334 92 HG2 LYS 11 HG2 LYS 11 -5.502 -13.568 4.648 93 HG3 LYS 11 HG3 LYS 11 -5.652 -13.246 2.925 94 HD2 LYS 11 HD2 LYS 11 -3.016 -13.507 4.424 95 HD3 LYS 11 HD3 LYS 11 -3.780 -14.778 3.481 96 HE2 LYS 11 HE2 LYS 11 -2.706 -12.142 2.384 97 HE3 LYS 11 HE3 LYS 11 -1.956 -13.728 2.238 98 HZ1 LYS 11 HZ1 LYS 11 -4.440 -12.829 0.906 99 HZ2 LYS 11 HZ2 LYS 11 -3.056 -13.324 0.242 100 HZ3 LYS 11 HZ3 LYS 11 -4.011 -14.412 0.993 101 H THR 12 H THR 12 -2.061 -11.821 5.314 102 HA THR 12 HA THR 12 -1.172 -8.981 5.179 103 HB THR 12 HB THR 12 0.213 -11.278 6.579 104 HG1 THR 12 HG1 THR 12 -0.631 -10.470 8.377 105 HG21 THR 12 HG21 THR 12 1.662 -9.472 7.491 106 HG22 THR 12 HG22 THR 12 1.795 -9.550 5.730 107 HG23 THR 12 HG23 THR 12 0.814 -8.275 6.484 108 H ILE 13 H ILE 13 0.318 -8.496 3.675 109 HA ILE 13 HA ILE 13 1.010 -10.560 1.652 110 HB ILE 13 HB ILE 13 0.813 -7.566 1.217 111 HG12 ILE 13 HG12 ILE 13 -1.446 -8.067 1.857 112 HG13 ILE 13 HG13 ILE 13 -1.374 -7.805 0.134 113 HG21 ILE 13 HG21 ILE 13 2.088 -8.772 -0.483 114 HG22 ILE 13 HG22 ILE 13 0.748 -9.889 -0.755 115 HG23 ILE 13 HG23 ILE 13 0.593 -8.166 -1.167 116 HD11 ILE 13 HD11 ILE 13 -2.860 -9.650 0.533 117 HD12 ILE 13 HD12 ILE 13 -1.382 -10.334 -0.171 118 HD13 ILE 13 HD13 ILE 13 -1.682 -10.475 1.565 119 H THR 14 H THR 14 3.140 -10.233 0.752 120 HA THR 14 HA THR 14 5.084 -8.591 2.256 121 HB THR 14 HB THR 14 5.428 -11.500 1.391 122 HG1 THR 14 HG1 THR 14 4.196 -11.588 3.179 123 HG21 THR 14 HG21 THR 14 7.222 -9.658 3.036 124 HG22 THR 14 HG22 THR 14 7.516 -11.376 2.705 125 HG23 THR 14 HG23 THR 14 7.543 -10.208 1.373 126 H LEU 15 H LEU 15 6.231 -7.351 0.700 127 HA LEU 15 HA LEU 15 6.272 -8.254 -2.125 128 HB2 LEU 15 HB2 LEU 15 5.315 -5.523 -1.148 129 HB3 LEU 15 HB3 LEU 15 5.768 -5.876 -2.803 130 HG LEU 15 HG LEU 15 3.470 -7.231 -1.355 131 HD11 LEU 15 HD11 LEU 15 2.092 -5.810 -2.917 132 HD12 LEU 15 HD12 LEU 15 2.935 -4.916 -1.637 133 HD13 LEU 15 HD13 LEU 15 3.569 -4.898 -3.292 134 HD21 LEU 15 HD21 LEU 15 4.365 -7.333 -4.266 135 HD22 LEU 15 HD22 LEU 15 4.322 -8.675 -3.128 136 HD23 LEU 15 HD23 LEU 15 2.806 -7.945 -3.665 137 H GLU 16 H GLU 16 7.863 -7.306 -3.330 138 HA GLU 16 HA GLU 16 10.240 -6.300 -1.882 139 HB2 GLU 16 HB2 GLU 16 10.500 -8.403 -3.056 140 HB3 GLU 16 HB3 GLU 16 9.836 -7.711 -4.549 141 HG2 GLU 16 HG2 GLU 16 11.775 -6.336 -4.875 142 HG3 GLU 16 HG3 GLU 16 12.340 -6.619 -3.219 143 H VAL 17 H VAL 17 10.592 -4.181 -2.100 144 HA VAL 17 HA VAL 17 9.674 -2.681 -4.487 145 HB VAL 17 HB VAL 17 8.779 -0.912 -3.051 146 HG11 VAL 17 HG11 VAL 17 7.212 -2.668 -3.798 147 HG12 VAL 17 HG12 VAL 17 7.490 -3.570 -2.289 148 HG13 VAL 17 HG13 VAL 17 6.746 -1.967 -2.232 149 HG21 VAL 17 HG21 VAL 17 10.153 -1.238 -1.017 150 HG22 VAL 17 HG22 VAL 17 8.434 -1.220 -0.637 151 HG23 VAL 17 HG23 VAL 17 9.311 -2.764 -0.686 152 H GLU 18 H GLU 18 10.656 -0.166 -3.763 153 HA GLU 18 HA GLU 18 13.341 -0.492 -2.708 154 HB2 GLU 18 HB2 GLU 18 14.393 0.461 -4.709 155 HB3 GLU 18 HB3 GLU 18 13.637 -1.084 -5.032 156 HG2 GLU 18 HG2 GLU 18 11.748 -0.022 -6.161 157 HG3 GLU 18 HG3 GLU 18 12.352 1.595 -5.726 158 HA PRO 19 HA PRO 19 12.590 3.488 -1.030 159 HB2 PRO 19 HB2 PRO 19 14.990 4.578 -2.512 160 HB3 PRO 19 HB3 PRO 19 14.540 4.800 -0.789 161 HG2 PRO 19 HG2 PRO 19 16.431 2.998 -1.485 162 HG3 PRO 19 HG3 PRO 19 15.187 2.557 -0.264 163 HD2 PRO 19 HD2 PRO 19 15.305 1.837 -3.196 164 HD3 PRO 19 HD3 PRO 19 14.857 0.813 -1.806 165 H SER 20 H SER 20 13.120 3.457 -4.553 166 HA SER 20 HA SER 20 11.415 5.888 -4.786 167 HB2 SER 20 HB2 SER 20 13.491 4.803 -6.708 168 HB3 SER 20 HB3 SER 20 12.518 6.265 -6.918 169 HG SER 20 HG SER 20 13.415 7.134 -5.068 170 H ASP 21 H ASP 21 10.292 3.130 -4.384 171 HA ASP 21 HA ASP 21 9.209 2.563 -7.094 172 HB2 ASP 21 HB2 ASP 21 9.799 0.739 -5.384 173 HB3 ASP 21 HB3 ASP 21 8.399 1.273 -4.451 174 H THR 22 H THR 22 7.203 3.470 -7.730 175 HA THR 22 HA THR 22 6.109 5.613 -6.166 176 HB THR 22 HB THR 22 4.422 5.527 -8.097 177 HG1 THR 22 HG1 THR 22 5.140 4.136 -9.861 178 HG21 THR 22 HG21 THR 22 7.370 5.609 -8.886 179 HG22 THR 22 HG22 THR 22 6.019 6.283 -9.810 180 HG23 THR 22 HG23 THR 22 6.421 6.960 -8.232 181 H ILE 23 H ILE 23 3.871 5.760 -5.416 182 HA ILE 23 HA ILE 23 3.031 3.361 -4.017 183 HB ILE 23 HB ILE 23 1.586 5.941 -4.608 184 HG12 ILE 23 HG12 ILE 23 3.521 6.044 -3.033 185 HG13 ILE 23 HG13 ILE 23 1.972 6.496 -2.313 186 HG21 ILE 23 HG21 ILE 23 -0.216 4.392 -4.343 187 HG22 ILE 23 HG22 ILE 23 0.575 3.573 -2.988 188 HG23 ILE 23 HG23 ILE 23 -0.057 5.219 -2.787 189 HD11 ILE 23 HD11 ILE 23 3.191 3.748 -1.921 190 HD12 ILE 23 HD12 ILE 23 3.452 5.124 -0.833 191 HD13 ILE 23 HD13 ILE 23 1.821 4.468 -1.069 192 H GLU 24 H GLU 24 2.337 4.739 -7.155 193 HA GLU 24 HA GLU 24 0.101 3.284 -7.974 194 HB2 GLU 24 HB2 GLU 24 1.115 5.222 -9.059 195 HB3 GLU 24 HB3 GLU 24 2.564 4.301 -9.453 196 HG2 GLU 24 HG2 GLU 24 1.264 2.866 -10.971 197 HG3 GLU 24 HG3 GLU 24 -0.219 3.751 -10.555 198 H ASN 25 H ASN 25 3.557 2.344 -7.928 199 HA ASN 25 HA ASN 25 3.094 -0.201 -9.246 200 HB2 ASN 25 HB2 ASN 25 5.430 1.208 -7.960 201 HB3 ASN 25 HB3 ASN 25 5.473 -0.548 -8.013 202 HD21 ASN 25 HD21 ASN 25 6.733 1.120 -11.299 203 HD22 ASN 25 HD22 ASN 25 6.764 1.865 -9.693 204 H VAL 26 H VAL 26 3.840 0.753 -5.843 205 HA VAL 26 HA VAL 26 3.550 -1.828 -4.755 206 HB VAL 26 HB VAL 26 3.025 0.861 -3.422 207 HG11 VAL 26 HG11 VAL 26 2.158 -0.979 -2.019 208 HG12 VAL 26 HG12 VAL 26 3.684 -1.860 -2.204 209 HG13 VAL 26 HG13 VAL 26 3.637 -0.313 -1.320 210 HG21 VAL 26 HG21 VAL 26 5.285 0.779 -4.376 211 HG22 VAL 26 HG22 VAL 26 5.416 0.532 -2.633 212 HG23 VAL 26 HG23 VAL 26 5.533 -0.839 -3.760 213 H LYS 27 H LYS 27 1.018 0.600 -5.339 214 HA LYS 27 HA LYS 27 -1.063 -0.905 -4.040 215 HB2 LYS 27 HB2 LYS 27 -0.836 1.656 -4.497 216 HB3 LYS 27 HB3 LYS 27 -1.446 1.275 -6.111 217 HG2 LYS 27 HG2 LYS 27 -3.440 0.184 -4.824 218 HG3 LYS 27 HG3 LYS 27 -2.754 0.903 -3.377 219 HD2 LYS 27 HD2 LYS 27 -4.472 2.372 -4.180 220 HD3 LYS 27 HD3 LYS 27 -2.910 3.162 -4.482 221 HE2 LYS 27 HE2 LYS 27 -2.977 2.468 -6.844 222 HE3 LYS 27 HE3 LYS 27 -4.469 1.549 -6.560 223 HZ1 LYS 27 HZ1 LYS 27 -5.565 3.638 -6.020 224 HZ2 LYS 27 HZ2 LYS 27 -4.178 4.485 -6.329 225 HZ3 LYS 27 HZ3 LYS 27 -4.933 3.694 -7.536 226 H ALA 28 H ALA 28 0.497 -1.244 -7.084 227 HA ALA 28 HA ALA 28 -1.756 -2.592 -8.424 228 HB1 ALA 28 HB1 ALA 28 1.058 -1.923 -9.387 229 HB2 ALA 28 HB2 ALA 28 -0.240 -2.647 -10.344 230 HB3 ALA 28 HB3 ALA 28 -0.449 -1.022 -9.710 231 H LYS 29 H LYS 29 1.587 -3.198 -7.246 232 HA LYS 29 HA LYS 29 1.862 -5.904 -7.739 233 HB2 LYS 29 HB2 LYS 29 2.769 -4.225 -5.376 234 HB3 LYS 29 HB3 LYS 29 3.247 -5.906 -5.565 235 HG2 LYS 29 HG2 LYS 29 4.489 -5.446 -7.585 236 HG3 LYS 29 HG3 LYS 29 3.893 -3.781 -7.634 237 HD2 LYS 29 HD2 LYS 29 4.966 -3.378 -5.396 238 HD3 LYS 29 HD3 LYS 29 5.688 -4.982 -5.460 239 HE2 LYS 29 HE2 LYS 29 6.166 -3.134 -7.797 240 HE3 LYS 29 HE3 LYS 29 6.869 -2.661 -6.256 241 HZ1 LYS 29 HZ1 LYS 29 7.991 -4.812 -6.150 242 HZ2 LYS 29 HZ2 LYS 29 7.507 -5.145 -7.717 243 HZ3 LYS 29 HZ3 LYS 29 8.458 -3.884 -7.386 244 H ILE 30 H ILE 30 0.073 -4.430 -4.998 245 HA ILE 30 HA ILE 30 -0.462 -6.916 -3.679 246 HB ILE 30 HB ILE 30 -2.318 -5.682 -2.541 247 HG12 ILE 30 HG12 ILE 30 -1.369 -3.309 -4.196 248 HG13 ILE 30 HG13 ILE 30 -2.908 -4.146 -4.421 249 HG21 ILE 30 HG21 ILE 30 -0.849 -4.290 -1.215 250 HG22 ILE 30 HG22 ILE 30 0.020 -5.738 -1.695 251 HG23 ILE 30 HG23 ILE 30 0.339 -4.195 -2.526 252 HD11 ILE 30 HD11 ILE 30 -3.574 -3.483 -2.111 253 HD12 ILE 30 HD12 ILE 30 -2.078 -2.515 -2.001 254 HD13 ILE 30 HD13 ILE 30 -3.306 -2.117 -3.212 255 H GLN 31 H GLN 31 -2.019 -5.412 -6.509 256 HA GLN 31 HA GLN 31 -4.430 -7.009 -6.352 257 HB2 GLN 31 HB2 GLN 31 -3.388 -5.555 -8.800 258 HB3 GLN 31 HB3 GLN 31 -5.059 -5.932 -8.353 259 HG2 GLN 31 HG2 GLN 31 -4.752 -4.385 -6.343 260 HG3 GLN 31 HG3 GLN 31 -3.194 -3.919 -7.030 261 HE21 GLN 31 HE21 GLN 31 -6.593 -2.312 -8.505 262 HE22 GLN 31 HE22 GLN 31 -6.615 -3.563 -7.256 263 H ASP 32 H ASP 32 -1.184 -7.441 -7.544 264 HA ASP 32 HA ASP 32 -1.829 -9.543 -9.491 265 HB2 ASP 32 HB2 ASP 32 0.158 -8.519 -10.039 266 HB3 ASP 32 HB3 ASP 32 0.640 -8.259 -8.378 267 H LYS 33 H LYS 33 -0.816 -9.294 -6.057 268 HA LYS 33 HA LYS 33 -0.980 -12.230 -5.785 269 HB2 LYS 33 HB2 LYS 33 0.072 -10.024 -3.993 270 HB3 LYS 33 HB3 LYS 33 -0.140 -11.693 -3.426 271 HG2 LYS 33 HG2 LYS 33 1.215 -12.507 -5.310 272 HG3 LYS 33 HG3 LYS 33 1.535 -10.848 -5.836 273 HD2 LYS 33 HD2 LYS 33 2.715 -10.398 -3.734 274 HD3 LYS 33 HD3 LYS 33 2.302 -11.997 -3.117 275 HE2 LYS 33 HE2 LYS 33 4.032 -11.441 -5.576 276 HE3 LYS 33 HE3 LYS 33 4.637 -11.887 -3.977 277 HZ1 LYS 33 HZ1 LYS 33 3.396 -13.971 -4.171 278 HZ2 LYS 33 HZ2 LYS 33 2.962 -13.602 -5.714 279 HZ3 LYS 33 HZ3 LYS 33 4.547 -13.822 -5.323 280 H GLU 34 H GLU 34 -3.305 -9.661 -5.127 281 HA GLU 34 HA GLU 34 -4.974 -11.641 -3.678 282 HB2 GLU 34 HB2 GLU 34 -3.852 -10.010 -2.054 283 HB3 GLU 34 HB3 GLU 34 -4.568 -8.699 -2.956 284 HG2 GLU 34 HG2 GLU 34 -5.986 -8.808 -1.212 285 HG3 GLU 34 HG3 GLU 34 -6.866 -9.816 -2.341 286 H GLY 35 H GLY 35 -7.248 -11.314 -4.215 287 HA2 GLY 35 HA2 GLY 35 -7.678 -9.997 -6.769 288 HA3 GLY 35 HA3 GLY 35 -8.835 -10.939 -5.828 289 H ILE 36 H ILE 36 -7.348 -7.716 -6.177 290 HA ILE 36 HA ILE 36 -9.804 -6.535 -4.997 291 HB ILE 36 HB ILE 36 -8.214 -4.800 -3.916 292 HG12 ILE 36 HG12 ILE 36 -6.388 -7.225 -3.645 293 HG13 ILE 36 HG13 ILE 36 -6.093 -5.965 -4.831 294 HG21 ILE 36 HG21 ILE 36 -8.527 -7.488 -2.545 295 HG22 ILE 36 HG22 ILE 36 -8.556 -5.852 -1.838 296 HG23 ILE 36 HG23 ILE 36 -9.881 -6.380 -2.837 297 HD11 ILE 36 HD11 ILE 36 -6.186 -5.532 -1.828 298 HD12 ILE 36 HD12 ILE 36 -4.750 -5.585 -2.855 299 HD13 ILE 36 HD13 ILE 36 -5.925 -4.272 -3.053 300 HA PRO 37 HA PRO 37 -9.066 -4.292 -8.869 301 HB2 PRO 37 HB2 PRO 37 -11.607 -2.900 -8.084 302 HB3 PRO 37 HB3 PRO 37 -11.198 -3.691 -9.628 303 HG2 PRO 37 HG2 PRO 37 -12.932 -4.827 -7.844 304 HG3 PRO 37 HG3 PRO 37 -11.763 -5.835 -8.759 305 HD2 PRO 37 HD2 PRO 37 -11.523 -4.800 -5.921 306 HD3 PRO 37 HD3 PRO 37 -11.184 -6.433 -6.579 307 HA PRO 38 HA PRO 38 -7.773 -0.444 -6.919 308 HB2 PRO 38 HB2 PRO 38 -7.180 1.191 -9.003 309 HB3 PRO 38 HB3 PRO 38 -6.328 -0.354 -8.798 310 HG2 PRO 38 HG2 PRO 38 -8.681 0.250 -10.600 311 HG3 PRO 38 HG3 PRO 38 -7.174 -0.618 -10.994 312 HD2 PRO 38 HD2 PRO 38 -9.583 -1.859 -10.242 313 HD3 PRO 38 HD3 PRO 38 -7.977 -2.605 -10.025 314 H ASP 39 H ASP 39 -10.352 -0.817 -6.530 315 HA ASP 39 HA ASP 39 -11.764 1.775 -6.674 316 HB2 ASP 39 HB2 ASP 39 -12.709 0.346 -8.459 317 HB3 ASP 39 HB3 ASP 39 -12.825 -1.006 -7.336 318 H GLN 40 H GLN 40 -12.572 2.173 -4.725 319 HA GLN 40 HA GLN 40 -12.622 2.166 -2.443 320 HB2 GLN 40 HB2 GLN 40 -13.759 -0.631 -2.896 321 HB3 GLN 40 HB3 GLN 40 -13.875 0.327 -1.429 322 HG2 GLN 40 HG2 GLN 40 -15.282 0.737 -4.045 323 HG3 GLN 40 HG3 GLN 40 -15.939 0.680 -2.407 324 HE21 GLN 40 HE21 GLN 40 -14.841 4.242 -4.036 325 HE22 GLN 40 HE22 GLN 40 -14.879 2.713 -4.940 326 H ASN 41 H ASN 41 -10.177 1.971 -3.298 327 HA ASN 41 HA ASN 41 -8.931 0.295 -1.256 328 HB2 ASN 41 HB2 ASN 41 -8.634 -0.141 -4.229 329 HB3 ASN 41 HB3 ASN 41 -7.133 -0.116 -3.303 330 HD21 ASN 41 HD21 ASN 41 -9.701 -3.275 -2.824 331 HD22 ASN 41 HD22 ASN 41 -10.135 -1.913 -3.814 332 H ARG 42 H ARG 42 -7.318 1.383 -0.278 333 HA ARG 42 HA ARG 42 -5.679 3.352 -1.695 334 HB2 ARG 42 HB2 ARG 42 -7.541 4.784 -0.935 335 HB3 ARG 42 HB3 ARG 42 -7.418 4.102 0.701 336 HG2 ARG 42 HG2 ARG 42 -5.064 4.998 0.832 337 HG3 ARG 42 HG3 ARG 42 -5.309 5.770 -0.737 338 HD2 ARG 42 HD2 ARG 42 -7.060 6.317 1.679 339 HD3 ARG 42 HD3 ARG 42 -5.530 7.135 1.415 340 HE ARG 42 HE ARG 42 -8.047 7.590 0.049 341 HH11 ARG 42 HH11 ARG 42 -4.525 8.042 -0.409 342 HH12 ARG 42 HH12 ARG 42 -4.729 9.679 -0.974 343 HH21 ARG 42 HH21 ARG 42 -8.254 9.592 -1.068 344 HH22 ARG 42 HH22 ARG 42 -6.852 10.431 -1.596 345 H LEU 43 H LEU 43 -3.692 3.227 -0.876 346 HA LEU 43 HA LEU 43 -3.107 1.292 1.246 347 HB2 LEU 43 HB2 LEU 43 -1.994 1.420 -1.049 348 HB3 LEU 43 HB3 LEU 43 -1.310 2.966 -0.567 349 HG LEU 43 HG LEU 43 -0.131 1.776 1.317 350 HD11 LEU 43 HD11 LEU 43 -1.528 -0.234 1.564 351 HD12 LEU 43 HD12 LEU 43 -1.143 -0.731 -0.096 352 HD13 LEU 43 HD13 LEU 43 0.123 -0.697 1.149 353 HD21 LEU 43 HD21 LEU 43 1.567 0.754 -0.213 354 HD22 LEU 43 HD22 LEU 43 0.379 0.782 -1.531 355 HD23 LEU 43 HD23 LEU 43 0.976 2.299 -0.831 356 H ILE 44 H ILE 44 -2.327 1.883 3.267 357 HA ILE 44 HA ILE 44 -1.889 4.774 3.893 358 HB ILE 44 HB ILE 44 -3.158 2.625 5.634 359 HG12 ILE 44 HG12 ILE 44 -4.749 3.011 3.841 360 HG13 ILE 44 HG13 ILE 44 -5.336 3.608 5.377 361 HG21 ILE 44 HG21 ILE 44 -3.909 4.502 7.071 362 HG22 ILE 44 HG22 ILE 44 -2.152 4.366 6.982 363 HG23 ILE 44 HG23 ILE 44 -2.995 5.630 6.060 364 HD11 ILE 44 HD11 ILE 44 -5.878 5.157 3.526 365 HD12 ILE 44 HD12 ILE 44 -4.847 5.919 4.737 366 HD13 ILE 44 HD13 ILE 44 -4.162 5.367 3.187 367 H PHE 45 H PHE 45 -0.118 5.158 5.363 368 HA PHE 45 HA PHE 45 1.329 2.781 6.448 369 HB2 PHE 45 HB2 PHE 45 2.664 3.318 4.500 370 HB3 PHE 45 HB3 PHE 45 2.557 5.042 4.838 371 HD1 PHE 45 HD1 PHE 45 3.788 1.830 6.458 372 HD2 PHE 45 HD2 PHE 45 4.208 6.111 6.086 373 HE1 PHE 45 HE1 PHE 45 5.750 1.789 7.966 374 HE2 PHE 45 HE2 PHE 45 6.202 6.041 7.548 375 HZ PHE 45 HZ PHE 45 6.970 3.876 8.495 376 H ALA 46 H ALA 46 1.651 3.106 8.602 377 HA ALA 46 HA ALA 46 1.575 4.106 10.647 378 HB1 ALA 46 HB1 ALA 46 3.047 6.357 9.236 379 HB2 ALA 46 HB2 ALA 46 3.085 5.952 10.964 380 HB3 ALA 46 HB3 ALA 46 3.782 4.835 9.774 381 H GLY 47 H GLY 47 -0.782 4.511 9.016 382 HA2 GLY 47 HA2 GLY 47 -2.827 5.554 9.351 383 HA3 GLY 47 HA3 GLY 47 -2.058 6.684 10.468 384 H LYS 48 H LYS 48 -0.033 7.053 7.913 385 HA LYS 48 HA LYS 48 -1.407 9.455 6.995 386 HB2 LYS 48 HB2 LYS 48 1.046 9.402 7.471 387 HB3 LYS 48 HB3 LYS 48 1.279 8.279 6.118 388 HG2 LYS 48 HG2 LYS 48 0.431 9.915 4.522 389 HG3 LYS 48 HG3 LYS 48 -0.041 11.013 5.820 390 HD2 LYS 48 HD2 LYS 48 2.819 10.263 5.101 391 HD3 LYS 48 HD3 LYS 48 1.972 11.748 4.663 392 HE2 LYS 48 HE2 LYS 48 1.591 12.124 7.178 393 HE3 LYS 48 HE3 LYS 48 2.778 10.830 7.447 394 HZ1 LYS 48 HZ1 LYS 48 3.225 13.370 6.016 395 HZ2 LYS 48 HZ2 LYS 48 3.789 12.987 7.495 396 HZ3 LYS 48 HZ3 LYS 48 4.366 12.177 6.167 397 H GLN 49 H GLN 49 -2.529 9.604 5.171 398 HA GLN 49 HA GLN 49 -3.189 7.224 3.667 399 HB2 GLN 49 HB2 GLN 49 -3.924 10.135 3.073 400 HB3 GLN 49 HB3 GLN 49 -4.691 8.705 2.439 401 HG2 GLN 49 HG2 GLN 49 -6.173 9.310 4.105 402 HG3 GLN 49 HG3 GLN 49 -5.230 8.078 4.916 403 HE21 GLN 49 HE21 GLN 49 -5.352 10.586 7.515 404 HE22 GLN 49 HE22 GLN 49 -5.891 9.003 6.997 405 H LEU 50 H LEU 50 -2.402 6.596 1.644 406 HA LEU 50 HA LEU 50 -0.394 8.376 0.362 407 HB2 LEU 50 HB2 LEU 50 -0.394 5.394 0.068 408 HB3 LEU 50 HB3 LEU 50 0.928 6.530 -0.122 409 HG LEU 50 HG LEU 50 -0.273 5.677 2.551 410 HD11 LEU 50 HD11 LEU 50 0.839 3.847 1.257 411 HD12 LEU 50 HD12 LEU 50 2.344 4.789 1.296 412 HD13 LEU 50 HD13 LEU 50 1.596 4.217 2.797 413 HD21 LEU 50 HD21 LEU 50 0.893 7.929 2.546 414 HD22 LEU 50 HD22 LEU 50 1.628 6.719 3.598 415 HD23 LEU 50 HD23 LEU 50 2.360 7.091 2.017 416 H GLU 51 H GLU 51 -0.225 8.095 -1.944 417 HA GLU 51 HA GLU 51 -1.963 6.592 -3.507 418 HB2 GLU 51 HB2 GLU 51 -3.301 8.249 -4.611 419 HB3 GLU 51 HB3 GLU 51 -3.680 8.144 -2.912 420 HG2 GLU 51 HG2 GLU 51 -1.920 10.199 -2.838 421 HG3 GLU 51 HG3 GLU 51 -2.558 10.415 -4.479 422 H ASP 52 H ASP 52 -1.693 7.678 -5.879 423 HA ASP 52 HA ASP 52 0.995 7.276 -6.532 424 HB2 ASP 52 HB2 ASP 52 0.164 7.663 -8.824 425 HB3 ASP 52 HB3 ASP 52 -0.914 6.604 -7.935 426 H GLY 53 H GLY 53 2.222 8.582 -7.966 427 HA2 GLY 53 HA2 GLY 53 3.015 10.601 -8.835 428 HA3 GLY 53 HA3 GLY 53 2.128 11.516 -7.597 429 H ARG 54 H ARG 54 3.005 9.535 -5.489 430 HA ARG 54 HA ARG 54 5.820 10.484 -5.126 431 HB2 ARG 54 HB2 ARG 54 3.545 10.255 -3.174 432 HB3 ARG 54 HB3 ARG 54 5.227 10.157 -2.614 433 HG2 ARG 54 HG2 ARG 54 5.693 12.350 -3.780 434 HG3 ARG 54 HG3 ARG 54 3.967 12.430 -4.172 435 HD2 ARG 54 HD2 ARG 54 3.714 12.075 -1.536 436 HD3 ARG 54 HD3 ARG 54 5.358 12.743 -1.514 437 HE ARG 54 HE ARG 54 3.781 14.415 -3.159 438 HH11 ARG 54 HH11 ARG 54 3.939 13.551 0.287 439 HH12 ARG 54 HH12 ARG 54 3.564 15.157 0.815 440 HH21 ARG 54 HH21 ARG 54 3.306 16.422 -2.483 441 HH22 ARG 54 HH22 ARG 54 3.415 16.924 -0.825 442 H THR 55 H THR 55 7.201 9.175 -3.738 443 HA THR 55 HA THR 55 6.889 6.276 -4.273 444 HB THR 55 HB THR 55 9.325 6.237 -4.436 445 HG1 THR 55 HG1 THR 55 9.164 9.057 -3.983 446 HG21 THR 55 HG21 THR 55 9.713 7.456 -6.515 447 HG22 THR 55 HG22 THR 55 8.158 6.632 -6.544 448 HG23 THR 55 HG23 THR 55 8.225 8.393 -6.285 449 H LEU 56 H LEU 56 8.457 4.970 -2.790 450 HA LEU 56 HA LEU 56 7.566 5.006 -0.146 451 HB2 LEU 56 HB2 LEU 56 9.882 3.730 -1.581 452 HB3 LEU 56 HB3 LEU 56 10.105 3.960 0.134 453 HG LEU 56 HG LEU 56 7.660 2.839 0.260 454 HD11 LEU 56 HD11 LEU 56 8.976 1.379 -2.072 455 HD12 LEU 56 HD12 LEU 56 7.377 1.091 -1.359 456 HD13 LEU 56 HD13 LEU 56 7.697 2.564 -2.294 457 HD21 LEU 56 HD21 LEU 56 10.268 1.305 -0.065 458 HD22 LEU 56 HD22 LEU 56 9.703 2.083 1.438 459 HD23 LEU 56 HD23 LEU 56 8.796 0.729 0.754 460 H SER 57 H SER 57 10.541 6.444 -1.461 461 HA SER 57 HA SER 57 11.726 7.380 0.902 462 HB2 SER 57 HB2 SER 57 12.981 7.248 -1.134 463 HB3 SER 57 HB3 SER 57 11.789 8.211 -2.020 464 HG SER 57 HG SER 57 13.505 9.147 0.052 465 H ASP 58 H ASP 58 9.399 9.049 -1.296 466 HA ASP 58 HA ASP 58 9.487 11.568 0.003 467 HB2 ASP 58 HB2 ASP 58 7.137 10.313 -1.459 468 HB3 ASP 58 HB3 ASP 58 7.358 12.024 -1.084 469 H TYR 59 H TYR 59 7.340 8.767 0.517 470 HA TYR 59 HA TYR 59 6.000 10.059 2.770 471 HB2 TYR 59 HB2 TYR 59 5.893 7.251 1.644 472 HB3 TYR 59 HB3 TYR 59 4.890 7.814 2.969 473 HD1 TYR 59 HD1 TYR 59 3.399 9.961 2.512 474 HD2 TYR 59 HD2 TYR 59 5.081 7.444 -0.565 475 HE1 TYR 59 HE1 TYR 59 1.570 10.613 0.972 476 HE2 TYR 59 HE2 TYR 59 3.328 8.174 -2.120 477 HH TYR 59 HH TYR 59 1.323 9.382 -2.404 478 H ASN 60 H ASN 60 9.056 8.836 2.547 479 HA ASN 60 HA ASN 60 10.651 8.077 3.904 480 HB2 ASN 60 HB2 ASN 60 10.156 10.163 5.029 481 HB3 ASN 60 HB3 ASN 60 8.888 9.378 5.981 482 HD21 ASN 60 HD21 ASN 60 11.221 9.001 8.587 483 HD22 ASN 60 HD22 ASN 60 9.675 9.643 8.014 484 H ILE 61 H ILE 61 9.021 6.123 3.077 485 HA ILE 61 HA ILE 61 8.288 4.349 5.303 486 HB ILE 61 HB ILE 61 8.136 4.049 2.273 487 HG12 ILE 61 HG12 ILE 61 5.954 4.557 4.336 488 HG13 ILE 61 HG13 ILE 61 6.633 5.800 3.294 489 HG21 ILE 61 HG21 ILE 61 6.903 2.272 4.442 490 HG22 ILE 61 HG22 ILE 61 6.754 2.052 2.679 491 HG23 ILE 61 HG23 ILE 61 8.312 1.831 3.442 492 HD11 ILE 61 HD11 ILE 61 4.979 3.420 2.386 493 HD12 ILE 61 HD12 ILE 61 4.521 5.126 2.395 494 HD13 ILE 61 HD13 ILE 61 5.795 4.565 1.294 495 H GLN 62 H GLN 62 9.703 2.865 6.096 496 HA GLN 62 HA GLN 62 12.303 2.469 4.707 497 HB2 GLN 62 HB2 GLN 62 11.619 1.971 7.631 498 HB3 GLN 62 HB3 GLN 62 13.209 1.891 6.876 499 HG2 GLN 62 HG2 GLN 62 11.522 4.363 7.384 500 HG3 GLN 62 HG3 GLN 62 13.092 3.966 8.063 501 HE21 GLN 62 HE21 GLN 62 12.979 6.215 4.739 502 HE22 GLN 62 HE22 GLN 62 11.702 6.016 5.904 503 H LYS 63 H LYS 63 13.273 0.203 5.464 504 HA LYS 63 HA LYS 63 11.702 -1.764 4.096 505 HB2 LYS 63 HB2 LYS 63 13.518 -3.284 4.563 506 HB3 LYS 63 HB3 LYS 63 14.152 -1.734 4.024 507 HG2 LYS 63 HG2 LYS 63 14.640 -1.142 6.417 508 HG3 LYS 63 HG3 LYS 63 14.106 -2.766 6.897 509 HD2 LYS 63 HD2 LYS 63 15.870 -3.777 5.494 510 HD3 LYS 63 HD3 LYS 63 16.362 -2.159 4.933 511 HE2 LYS 63 HE2 LYS 63 16.805 -1.538 7.347 512 HE3 LYS 63 HE3 LYS 63 16.505 -3.225 7.792 513 HZ1 LYS 63 HZ1 LYS 63 18.627 -2.210 5.997 514 HZ2 LYS 63 HZ2 LYS 63 18.872 -2.763 7.481 515 HZ3 LYS 63 HZ3 LYS 63 18.395 -3.807 6.286 516 H GLU 64 H GLU 64 11.014 -3.813 4.917 517 HA GLU 64 HA GLU 64 9.504 -4.933 6.093 518 HB2 GLU 64 HB2 GLU 64 11.646 -4.432 8.184 519 HB3 GLU 64 HB3 GLU 64 10.226 -5.416 8.507 520 HG2 GLU 64 HG2 GLU 64 11.773 -6.992 7.860 521 HG3 GLU 64 HG3 GLU 64 10.762 -6.790 6.437 522 H SER 65 H SER 65 8.545 -2.325 5.683 523 HA SER 65 HA SER 65 7.399 -1.382 8.221 524 HB2 SER 65 HB2 SER 65 6.220 0.170 6.468 525 HB3 SER 65 HB3 SER 65 7.922 0.426 6.888 526 HG SER 65 HG SER 65 8.529 -0.161 4.967 527 H THR 66 H THR 66 4.904 -1.187 8.347 528 HA THR 66 HA THR 66 3.560 -3.335 6.810 529 HB THR 66 HB THR 66 3.400 -2.880 9.801 530 HG1 THR 66 HG1 THR 66 5.006 -4.302 9.279 531 HG21 THR 66 HG21 THR 66 1.677 -4.606 7.945 532 HG22 THR 66 HG22 THR 66 1.688 -4.686 9.720 533 HG23 THR 66 HG23 THR 66 1.121 -3.229 8.924 534 H LEU 67 H LEU 67 2.337 -2.340 5.488 535 HA LEU 67 HA LEU 67 1.040 0.236 6.137 536 HB2 LEU 67 HB2 LEU 67 1.394 -1.402 3.588 537 HB3 LEU 67 HB3 LEU 67 0.515 0.110 3.671 538 HG LEU 67 HG LEU 67 2.673 1.169 4.577 539 HD11 LEU 67 HD11 LEU 67 4.807 0.117 3.703 540 HD12 LEU 67 HD12 LEU 67 4.127 -0.704 5.085 541 HD13 LEU 67 HD13 LEU 67 3.895 -1.388 3.464 542 HD21 LEU 67 HD21 LEU 67 3.584 1.477 2.284 543 HD22 LEU 67 HD22 LEU 67 2.596 0.114 1.729 544 HD23 LEU 67 HD23 LEU 67 1.828 1.610 2.341 545 H HIS 68 H HIS 68 -1.265 0.458 5.439 546 HA HIS 68 HA HIS 68 -2.871 -2.012 5.913 547 HB2 HIS 68 HB2 HIS 68 -2.683 -0.112 7.783 548 HB3 HIS 68 HB3 HIS 68 -3.896 0.672 6.781 549 HD1 HIS 68 HD1 HIS 68 -3.366 -2.428 8.999 550 HD2 HIS 68 HD2 HIS 68 -6.385 -0.396 6.862 551 HE1 HIS 68 HE1 HIS 68 -5.588 -3.420 9.763 552 H LEU 69 H LEU 69 -5.111 -1.853 4.982 553 HA LEU 69 HA LEU 69 -5.253 -0.204 2.504 554 HB2 LEU 69 HB2 LEU 69 -5.702 -3.150 3.046 555 HB3 LEU 69 HB3 LEU 69 -6.584 -2.390 1.750 556 HG LEU 69 HG LEU 69 -3.552 -2.214 1.983 557 HD11 LEU 69 HD11 LEU 69 -5.214 -4.247 0.444 558 HD12 LEU 69 HD12 LEU 69 -3.475 -3.978 0.205 559 HD13 LEU 69 HD13 LEU 69 -4.057 -4.559 1.759 560 HD21 LEU 69 HD21 LEU 69 -5.270 -1.881 -0.505 561 HD22 LEU 69 HD22 LEU 69 -4.705 -0.520 0.477 562 HD23 LEU 69 HD23 LEU 69 -3.532 -1.562 -0.320 563 H VAL 70 H VAL 70 -7.117 1.056 2.364 564 HA VAL 70 HA VAL 70 -9.448 0.301 4.018 565 HB VAL 70 HB VAL 70 -9.638 2.488 5.018 566 HG11 VAL 70 HG11 VAL 70 -6.778 1.568 5.494 567 HG12 VAL 70 HG12 VAL 70 -7.768 2.586 6.545 568 HG13 VAL 70 HG13 VAL 70 -8.235 0.899 6.275 569 HG21 VAL 70 HG21 VAL 70 -7.136 3.238 3.468 570 HG22 VAL 70 HG22 VAL 70 -8.742 3.960 3.330 571 HG23 VAL 70 HG23 VAL 70 -7.821 4.210 4.807 572 H LEU 71 H LEU 71 -11.352 1.587 3.620 573 HA LEU 71 HA LEU 71 -11.568 3.081 1.117 574 HB2 LEU 71 HB2 LEU 71 -13.382 1.812 0.282 575 HB3 LEU 71 HB3 LEU 71 -12.057 0.696 0.538 576 HG LEU 71 HG LEU 71 -13.986 0.914 2.831 577 HD11 LEU 71 HD11 LEU 71 -15.718 -0.369 1.859 578 HD12 LEU 71 HD12 LEU 71 -15.471 1.020 0.804 579 HD13 LEU 71 HD13 LEU 71 -14.849 -0.581 0.339 580 HD21 LEU 71 HD21 LEU 71 -12.821 -1.475 1.359 581 HD22 LEU 71 HD22 LEU 71 -12.104 -0.723 2.792 582 HD23 LEU 71 HD23 LEU 71 -13.695 -1.498 2.906 583 H ARG 72 H ARG 72 -14.329 3.490 1.142 584 HA ARG 72 HA ARG 72 -15.337 4.006 3.781 585 HB2 ARG 72 HB2 ARG 72 -13.745 6.092 2.802 586 HB3 ARG 72 HB3 ARG 72 -15.319 6.528 2.188 587 HG2 ARG 72 HG2 ARG 72 -15.566 7.560 4.197 588 HG3 ARG 72 HG3 ARG 72 -15.997 5.947 4.782 589 HD2 ARG 72 HD2 ARG 72 -13.454 5.636 5.108 590 HD3 ARG 72 HD3 ARG 72 -13.323 7.387 4.929 591 HE ARG 72 HE ARG 72 -15.166 7.163 6.897 592 HH11 ARG 72 HH11 ARG 72 -11.986 5.489 6.559 593 HH12 ARG 72 HH12 ARG 72 -11.782 5.383 8.265 594 HH21 ARG 72 HH21 ARG 72 -14.858 6.869 9.126 595 HH22 ARG 72 HH22 ARG 72 -13.367 6.186 9.721 596 H LEU 73 H LEU 73 -17.592 3.680 3.492 597 HA LEU 73 HA LEU 73 -18.820 4.403 0.911 598 HB2 LEU 73 HB2 LEU 73 -18.605 1.596 2.071 599 HB3 LEU 73 HB3 LEU 73 -20.024 2.060 1.145 600 HG LEU 73 HG LEU 73 -17.198 2.167 0.034 601 HD11 LEU 73 HD11 LEU 73 -17.829 0.104 -1.146 602 HD12 LEU 73 HD12 LEU 73 -17.970 -0.136 0.595 603 HD13 LEU 73 HD13 LEU 73 -19.429 0.130 -0.379 604 HD21 LEU 73 HD21 LEU 73 -19.918 2.434 -1.338 605 HD22 LEU 73 HD22 LEU 73 -18.715 3.728 -1.141 606 HD23 LEU 73 HD23 LEU 73 -18.339 2.349 -2.153 607 H ARG 74 H ARG 74 -21.005 4.878 1.161 608 HA ARG 74 HA ARG 74 -21.925 5.010 4.001 609 HB2 ARG 74 HB2 ARG 74 -23.040 6.332 1.494 610 HB3 ARG 74 HB3 ARG 74 -23.672 6.515 3.121 611 HG2 ARG 74 HG2 ARG 74 -21.086 7.580 1.989 612 HG3 ARG 74 HG3 ARG 74 -22.409 8.472 2.732 613 HD2 ARG 74 HD2 ARG 74 -20.464 6.595 4.185 614 HD3 ARG 74 HD3 ARG 74 -20.392 8.344 4.184 615 HE ARG 74 HE ARG 74 -22.268 6.616 5.654 616 HH11 ARG 74 HH11 ARG 74 -21.735 9.971 4.537 617 HH12 ARG 74 HH12 ARG 74 -22.346 10.684 5.966 618 HH21 ARG 74 HH21 ARG 74 -23.451 7.598 7.402 619 HH22 ARG 74 HH22 ARG 74 -23.431 9.328 7.540 620 H GLY 75 H GLY 75 -22.249 3.245 1.082 621 HA2 GLY 75 HA2 GLY 75 -24.855 2.074 1.596 622 HA3 GLY 75 HA3 GLY 75 -23.701 1.669 0.332 623 H GLY 76 H GLY 76 -22.464 1.743 3.686 624 HA2 GLY 76 HA2 GLY 76 -22.923 -0.961 4.369 625 HA3 GLY 76 HA3 GLY 76 -21.311 -0.750 3.660 Start of MODEL 15 1 H1 MET 1 H MET 1 14.898 -4.773 -0.793 2 HA MET 1 HA MET 1 14.047 -3.935 1.909 3 HB2 MET 1 HB2 MET 1 14.610 -1.894 0.889 4 HB3 MET 1 HB3 MET 1 13.916 -2.358 -0.667 5 HG2 MET 1 HG2 MET 1 11.655 -2.305 0.296 6 HG3 MET 1 HG3 MET 1 12.313 -1.916 1.880 7 HE1 MET 1 HE1 MET 1 14.413 0.462 1.375 8 HE2 MET 1 HE2 MET 1 13.266 1.815 1.529 9 HE3 MET 1 HE3 MET 1 13.117 0.417 2.600 10 H GLN 2 H GLN 2 12.251 -5.087 2.533 11 HA GLN 2 HA GLN 2 10.280 -5.662 0.399 12 HB2 GLN 2 HB2 GLN 2 9.674 -7.722 1.488 13 HB3 GLN 2 HB3 GLN 2 11.356 -7.790 0.970 14 HG2 GLN 2 HG2 GLN 2 12.143 -7.532 3.240 15 HG3 GLN 2 HG3 GLN 2 10.521 -7.117 3.824 16 HE21 GLN 2 HE21 GLN 2 9.625 -10.505 4.333 17 HE22 GLN 2 HE22 GLN 2 9.267 -8.818 4.665 18 H ILE 3 H ILE 3 8.051 -5.640 1.308 19 HA ILE 3 HA ILE 3 7.816 -4.186 3.886 20 HB ILE 3 HB ILE 3 6.157 -2.659 2.950 21 HG12 ILE 3 HG12 ILE 3 7.023 -3.569 0.170 22 HG13 ILE 3 HG13 ILE 3 5.544 -4.113 0.955 23 HG21 ILE 3 HG21 ILE 3 7.722 -1.086 1.970 24 HG22 ILE 3 HG22 ILE 3 8.566 -2.029 3.201 25 HG23 ILE 3 HG23 ILE 3 8.827 -2.398 1.500 26 HD11 ILE 3 HD11 ILE 3 5.117 -2.301 -0.615 27 HD12 ILE 3 HD12 ILE 3 4.654 -1.853 1.035 28 HD13 ILE 3 HD13 ILE 3 6.140 -1.200 0.317 29 H PHE 4 H PHE 4 5.439 -4.225 4.591 30 HA PHE 4 HA PHE 4 4.173 -6.749 3.678 31 HB2 PHE 4 HB2 PHE 4 4.358 -5.638 6.503 32 HB3 PHE 4 HB3 PHE 4 3.422 -7.041 5.994 33 HD1 PHE 4 HD1 PHE 4 4.407 -9.193 5.673 34 HD2 PHE 4 HD2 PHE 4 6.864 -5.751 6.542 35 HE1 PHE 4 HE1 PHE 4 6.338 -10.683 6.153 36 HE2 PHE 4 HE2 PHE 4 8.781 -7.242 7.019 37 HZ PHE 4 HZ PHE 4 8.516 -9.710 6.848 38 H VAL 5 H VAL 5 1.878 -6.672 3.659 39 HA VAL 5 HA VAL 5 0.643 -4.031 4.223 40 HB VAL 5 HB VAL 5 0.051 -5.561 1.671 41 HG11 VAL 5 HG11 VAL 5 -1.696 -4.055 2.507 42 HG12 VAL 5 HG12 VAL 5 -0.540 -2.709 2.583 43 HG13 VAL 5 HG13 VAL 5 -0.987 -3.422 1.017 44 HG21 VAL 5 HG21 VAL 5 1.303 -3.802 0.431 45 HG22 VAL 5 HG22 VAL 5 1.964 -3.204 1.966 46 HG23 VAL 5 HG23 VAL 5 2.361 -4.834 1.385 47 H LYS 6 H LYS 6 -1.075 -4.286 5.464 48 HA LYS 6 HA LYS 6 -2.287 -6.955 5.849 49 HB2 LYS 6 HB2 LYS 6 -1.612 -5.673 7.862 50 HB3 LYS 6 HB3 LYS 6 -2.593 -4.308 7.338 51 HG2 LYS 6 HG2 LYS 6 -3.849 -5.453 9.028 52 HG3 LYS 6 HG3 LYS 6 -4.643 -5.754 7.507 53 HD2 LYS 6 HD2 LYS 6 -4.656 -7.822 8.664 54 HD3 LYS 6 HD3 LYS 6 -3.444 -7.995 7.419 55 HE2 LYS 6 HE2 LYS 6 -2.537 -9.005 9.296 56 HE3 LYS 6 HE3 LYS 6 -1.689 -7.461 9.186 57 HZ1 LYS 6 HZ1 LYS 6 -4.032 -7.984 10.913 58 HZ2 LYS 6 HZ2 LYS 6 -2.479 -8.094 11.414 59 HZ3 LYS 6 HZ3 LYS 6 -3.093 -6.625 10.950 60 H THR 7 H THR 7 -4.107 -7.438 4.623 61 HA THR 7 HA THR 7 -5.256 -5.357 2.982 62 HB THR 7 HB THR 7 -6.725 -7.140 2.152 63 HG1 THR 7 HG1 THR 7 -7.114 -8.881 3.276 64 HG21 THR 7 HG21 THR 7 -4.371 -7.131 1.285 65 HG22 THR 7 HG22 THR 7 -3.939 -8.316 2.540 66 HG23 THR 7 HG23 THR 7 -5.114 -8.742 1.287 67 H LEU 8 H LEU 8 -7.688 -5.061 2.921 68 HA LEU 8 HA LEU 8 -8.620 -4.106 5.429 69 HB2 LEU 8 HB2 LEU 8 -10.584 -3.485 4.251 70 HB3 LEU 8 HB3 LEU 8 -9.237 -3.177 3.172 71 HG LEU 8 HG LEU 8 -11.090 -5.621 3.011 72 HD11 LEU 8 HD11 LEU 8 -12.318 -3.572 2.580 73 HD12 LEU 8 HD12 LEU 8 -11.089 -3.054 1.404 74 HD13 LEU 8 HD13 LEU 8 -12.098 -4.474 1.079 75 HD21 LEU 8 HD21 LEU 8 -8.960 -4.588 1.079 76 HD22 LEU 8 HD22 LEU 8 -9.012 -6.189 1.886 77 HD23 LEU 8 HD23 LEU 8 -10.193 -5.786 0.659 78 H THR 9 H THR 9 -8.605 -7.304 4.168 79 HA THR 9 HA THR 9 -10.985 -8.195 5.642 80 HB THR 9 HB THR 9 -10.437 -10.317 4.417 81 HG1 THR 9 HG1 THR 9 -8.878 -10.421 3.048 82 HG21 THR 9 HG21 THR 9 -11.156 -9.583 2.220 83 HG22 THR 9 HG22 THR 9 -12.050 -8.698 3.473 84 HG23 THR 9 HG23 THR 9 -10.735 -7.904 2.580 85 H GLY 10 H GLY 10 -7.586 -7.851 6.142 86 HA2 GLY 10 HA2 GLY 10 -6.650 -8.319 8.221 87 HA3 GLY 10 HA3 GLY 10 -7.710 -9.701 8.437 88 H LYS 11 H LYS 11 -6.394 -9.731 5.221 89 HA LYS 11 HA LYS 11 -4.659 -11.978 6.036 90 HB2 LYS 11 HB2 LYS 11 -6.061 -11.171 3.624 91 HB3 LYS 11 HB3 LYS 11 -4.360 -11.244 3.224 92 HG2 LYS 11 HG2 LYS 11 -5.851 -13.488 4.634 93 HG3 LYS 11 HG3 LYS 11 -5.789 -13.351 2.894 94 HD2 LYS 11 HD2 LYS 11 -3.329 -13.665 4.645 95 HD3 LYS 11 HD3 LYS 11 -4.163 -14.984 3.836 96 HE2 LYS 11 HE2 LYS 11 -2.800 -12.642 2.431 97 HE3 LYS 11 HE3 LYS 11 -2.142 -14.269 2.621 98 HZ1 LYS 11 HZ1 LYS 11 -4.521 -13.517 1.027 99 HZ2 LYS 11 HZ2 LYS 11 -3.101 -14.035 0.472 100 HZ3 LYS 11 HZ3 LYS 11 -4.069 -15.081 1.292 101 H THR 12 H THR 12 -2.286 -11.912 5.343 102 HA THR 12 HA THR 12 -1.252 -9.124 5.212 103 HB THR 12 HB THR 12 0.013 -11.481 6.632 104 HG1 THR 12 HG1 THR 12 -0.842 -10.592 8.468 105 HG21 THR 12 HG21 THR 12 1.375 -9.716 7.700 106 HG22 THR 12 HG22 THR 12 1.589 -9.651 5.942 107 HG23 THR 12 HG23 THR 12 0.529 -8.478 6.741 108 H ILE 13 H ILE 13 0.135 -8.666 3.669 109 HA ILE 13 HA ILE 13 0.995 -10.747 1.734 110 HB ILE 13 HB ILE 13 0.471 -7.791 1.257 111 HG12 ILE 13 HG12 ILE 13 -1.687 -8.678 1.914 112 HG13 ILE 13 HG13 ILE 13 -1.666 -8.243 0.237 113 HG21 ILE 13 HG21 ILE 13 1.914 -8.751 -0.451 114 HG22 ILE 13 HG22 ILE 13 0.756 -10.066 -0.739 115 HG23 ILE 13 HG23 ILE 13 0.347 -8.383 -1.132 116 HD11 ILE 13 HD11 ILE 13 -2.894 -10.347 0.622 117 HD12 ILE 13 HD12 ILE 13 -1.487 -10.636 -0.413 118 HD13 ILE 13 HD13 ILE 13 -1.441 -11.098 1.301 119 H THR 14 H THR 14 3.082 -10.329 0.804 120 HA THR 14 HA THR 14 4.895 -8.413 2.127 121 HB THR 14 HB THR 14 5.435 -11.353 1.544 122 HG1 THR 14 HG1 THR 14 5.463 -9.934 3.995 123 HG21 THR 14 HG21 THR 14 7.255 -9.191 2.716 124 HG22 THR 14 HG22 THR 14 7.610 -10.935 2.684 125 HG23 THR 14 HG23 THR 14 7.481 -10.038 1.168 126 H LEU 15 H LEU 15 6.087 -7.276 0.634 127 HA LEU 15 HA LEU 15 6.176 -8.135 -2.217 128 HB2 LEU 15 HB2 LEU 15 5.501 -5.361 -1.137 129 HB3 LEU 15 HB3 LEU 15 5.817 -5.745 -2.821 130 HG LEU 15 HG LEU 15 3.439 -6.751 -1.196 131 HD11 LEU 15 HD11 LEU 15 2.208 -5.252 -2.821 132 HD12 LEU 15 HD12 LEU 15 3.234 -4.395 -1.655 133 HD13 LEU 15 HD13 LEU 15 3.774 -4.604 -3.330 134 HD21 LEU 15 HD21 LEU 15 4.236 -7.179 -4.104 135 HD22 LEU 15 HD22 LEU 15 4.004 -8.409 -2.867 136 HD23 LEU 15 HD23 LEU 15 2.604 -7.510 -3.460 137 H GLU 16 H GLU 16 7.958 -7.233 -3.375 138 HA GLU 16 HA GLU 16 10.271 -6.328 -1.735 139 HB2 GLU 16 HB2 GLU 16 10.648 -8.421 -2.910 140 HB3 GLU 16 HB3 GLU 16 10.080 -7.722 -4.439 141 HG2 GLU 16 HG2 GLU 16 11.984 -6.207 -4.526 142 HG3 GLU 16 HG3 GLU 16 12.470 -6.651 -2.885 143 H VAL 17 H VAL 17 10.647 -4.181 -1.935 144 HA VAL 17 HA VAL 17 9.935 -2.750 -4.407 145 HB VAL 17 HB VAL 17 8.824 -0.950 -3.142 146 HG11 VAL 17 HG11 VAL 17 7.392 -2.715 -4.081 147 HG12 VAL 17 HG12 VAL 17 7.504 -3.640 -2.567 148 HG13 VAL 17 HG13 VAL 17 6.718 -2.063 -2.571 149 HG21 VAL 17 HG21 VAL 17 9.904 -1.221 -0.955 150 HG22 VAL 17 HG22 VAL 17 8.150 -1.270 -0.798 151 HG23 VAL 17 HG23 VAL 17 9.087 -2.780 -0.722 152 H GLU 18 H GLU 18 10.674 -0.189 -3.615 153 HA GLU 18 HA GLU 18 13.264 -0.282 -2.308 154 HB2 GLU 18 HB2 GLU 18 14.444 0.656 -4.244 155 HB3 GLU 18 HB3 GLU 18 13.806 -0.944 -4.597 156 HG2 GLU 18 HG2 GLU 18 11.845 0.210 -5.771 157 HG3 GLU 18 HG3 GLU 18 12.714 1.737 -5.543 158 HA PRO 19 HA PRO 19 12.055 3.759 -1.037 159 HB2 PRO 19 HB2 PRO 19 14.606 4.925 -2.154 160 HB3 PRO 19 HB3 PRO 19 13.879 5.156 -0.533 161 HG2 PRO 19 HG2 PRO 19 15.949 3.487 -0.837 162 HG3 PRO 19 HG3 PRO 19 14.555 2.970 0.151 163 HD2 PRO 19 HD2 PRO 19 15.143 2.255 -2.743 164 HD3 PRO 19 HD3 PRO 19 14.657 1.175 -1.399 165 H SER 20 H SER 20 13.060 3.343 -4.391 166 HA SER 20 HA SER 20 11.634 5.820 -5.206 167 HB2 SER 20 HB2 SER 20 13.634 4.106 -6.719 168 HB3 SER 20 HB3 SER 20 13.044 5.724 -7.136 169 HG SER 20 HG SER 20 14.398 6.589 -5.838 170 H ASP 21 H ASP 21 10.301 3.184 -4.513 171 HA ASP 21 HA ASP 21 9.291 2.279 -7.167 172 HB2 ASP 21 HB2 ASP 21 9.811 0.887 -4.839 173 HB3 ASP 21 HB3 ASP 21 8.103 1.245 -4.618 174 H THR 22 H THR 22 7.220 3.233 -7.867 175 HA THR 22 HA THR 22 6.265 5.495 -6.293 176 HB THR 22 HB THR 22 4.437 5.422 -8.056 177 HG1 THR 22 HG1 THR 22 5.056 4.040 -9.908 178 HG21 THR 22 HG21 THR 22 7.277 5.457 -9.144 179 HG22 THR 22 HG22 THR 22 5.848 6.217 -9.872 180 HG23 THR 22 HG23 THR 22 6.471 6.814 -8.328 181 H ILE 23 H ILE 23 4.178 5.684 -5.338 182 HA ILE 23 HA ILE 23 3.311 3.351 -3.885 183 HB ILE 23 HB ILE 23 1.961 6.005 -4.368 184 HG12 ILE 23 HG12 ILE 23 3.975 6.398 -3.132 185 HG13 ILE 23 HG13 ILE 23 2.632 6.493 -2.009 186 HG21 ILE 23 HG21 ILE 23 0.194 4.518 -3.740 187 HG22 ILE 23 HG22 ILE 23 1.180 3.756 -2.482 188 HG23 ILE 23 HG23 ILE 23 0.603 5.425 -2.284 189 HD11 ILE 23 HD11 ILE 23 4.592 4.187 -2.262 190 HD12 ILE 23 HD12 ILE 23 4.465 5.355 -0.943 191 HD13 ILE 23 HD13 ILE 23 3.160 4.184 -1.200 192 H GLU 24 H GLU 24 2.540 4.694 -6.982 193 HA GLU 24 HA GLU 24 0.090 3.432 -7.629 194 HB2 GLU 24 HB2 GLU 24 1.012 5.246 -8.898 195 HB3 GLU 24 HB3 GLU 24 2.524 4.400 -9.188 196 HG2 GLU 24 HG2 GLU 24 1.477 2.857 -10.716 197 HG3 GLU 24 HG3 GLU 24 -0.131 3.488 -10.349 198 H ASN 25 H ASN 25 3.516 2.430 -8.142 199 HA ASN 25 HA ASN 25 2.928 -0.127 -9.206 200 HB2 ASN 25 HB2 ASN 25 5.379 1.237 -8.098 201 HB3 ASN 25 HB3 ASN 25 5.375 -0.519 -8.136 202 HD21 ASN 25 HD21 ASN 25 6.470 1.002 -11.512 203 HD22 ASN 25 HD22 ASN 25 6.616 1.837 -9.967 204 H VAL 26 H VAL 26 3.783 0.857 -5.844 205 HA VAL 26 HA VAL 26 3.563 -1.761 -4.750 206 HB VAL 26 HB VAL 26 2.982 0.913 -3.390 207 HG11 VAL 26 HG11 VAL 26 2.101 -0.919 -2.030 208 HG12 VAL 26 HG12 VAL 26 3.597 -1.842 -2.243 209 HG13 VAL 26 HG13 VAL 26 3.593 -0.332 -1.297 210 HG21 VAL 26 HG21 VAL 26 5.238 0.986 -4.224 211 HG22 VAL 26 HG22 VAL 26 5.371 0.514 -2.533 212 HG23 VAL 26 HG23 VAL 26 5.525 -0.701 -3.820 213 H LYS 27 H LYS 27 1.012 0.679 -5.386 214 HA LYS 27 HA LYS 27 -1.055 -0.909 -4.134 215 HB2 LYS 27 HB2 LYS 27 -1.079 1.596 -4.394 216 HB3 LYS 27 HB3 LYS 27 -1.330 1.374 -6.136 217 HG2 LYS 27 HG2 LYS 27 -3.472 0.235 -5.688 218 HG3 LYS 27 HG3 LYS 27 -3.159 0.272 -3.946 219 HD2 LYS 27 HD2 LYS 27 -4.780 1.950 -4.515 220 HD3 LYS 27 HD3 LYS 27 -3.281 2.768 -4.016 221 HE2 LYS 27 HE2 LYS 27 -2.674 3.146 -6.377 222 HE3 LYS 27 HE3 LYS 27 -4.062 2.193 -6.912 223 HZ1 LYS 27 HZ1 LYS 27 -5.526 3.835 -6.038 224 HZ2 LYS 27 HZ2 LYS 27 -4.315 4.709 -5.377 225 HZ3 LYS 27 HZ3 LYS 27 -4.420 4.582 -7.018 226 H ALA 28 H ALA 28 0.543 -1.089 -7.239 227 HA ALA 28 HA ALA 28 -1.678 -2.507 -8.549 228 HB1 ALA 28 HB1 ALA 28 1.226 -2.060 -9.425 229 HB2 ALA 28 HB2 ALA 28 -0.109 -2.636 -10.427 230 HB3 ALA 28 HB3 ALA 28 -0.132 -0.978 -9.811 231 H LYS 29 H LYS 29 1.601 -3.220 -7.295 232 HA LYS 29 HA LYS 29 1.752 -5.937 -7.750 233 HB2 LYS 29 HB2 LYS 29 2.735 -4.262 -5.416 234 HB3 LYS 29 HB3 LYS 29 3.114 -5.978 -5.565 235 HG2 LYS 29 HG2 LYS 29 4.327 -5.650 -7.621 236 HG3 LYS 29 HG3 LYS 29 3.842 -3.948 -7.704 237 HD2 LYS 29 HD2 LYS 29 5.064 -3.458 -5.633 238 HD3 LYS 29 HD3 LYS 29 5.530 -5.153 -5.453 239 HE2 LYS 29 HE2 LYS 29 6.246 -4.004 -8.089 240 HE3 LYS 29 HE3 LYS 29 6.968 -3.115 -6.750 241 HZ1 LYS 29 HZ1 LYS 29 7.968 -5.172 -5.969 242 HZ2 LYS 29 HZ2 LYS 29 7.321 -6.022 -7.236 243 HZ3 LYS 29 HZ3 LYS 29 8.397 -4.832 -7.509 244 H ILE 30 H ILE 30 0.043 -4.407 -4.968 245 HA ILE 30 HA ILE 30 -0.583 -6.879 -3.691 246 HB ILE 30 HB ILE 30 -2.357 -5.602 -2.505 247 HG12 ILE 30 HG12 ILE 30 -1.426 -3.273 -4.222 248 HG13 ILE 30 HG13 ILE 30 -2.993 -4.076 -4.376 249 HG21 ILE 30 HG21 ILE 30 -0.856 -4.249 -1.217 250 HG22 ILE 30 HG22 ILE 30 0.039 -5.668 -1.766 251 HG23 ILE 30 HG23 ILE 30 0.276 -4.091 -2.569 252 HD11 ILE 30 HD11 ILE 30 -3.516 -3.364 -2.033 253 HD12 ILE 30 HD12 ILE 30 -2.020 -2.387 -2.061 254 HD13 ILE 30 HD13 ILE 30 -3.333 -2.043 -3.197 255 H GLN 31 H GLN 31 -2.163 -5.316 -6.489 256 HA GLN 31 HA GLN 31 -4.607 -6.838 -6.256 257 HB2 GLN 31 HB2 GLN 31 -3.554 -5.516 -8.767 258 HB3 GLN 31 HB3 GLN 31 -5.228 -5.808 -8.282 259 HG2 GLN 31 HG2 GLN 31 -4.850 -4.136 -6.366 260 HG3 GLN 31 HG3 GLN 31 -3.254 -3.874 -7.042 261 HE21 GLN 31 HE21 GLN 31 -4.523 -1.145 -8.750 262 HE22 GLN 31 HE22 GLN 31 -3.731 -1.668 -7.258 263 H ASP 32 H ASP 32 -1.429 -7.446 -7.464 264 HA ASP 32 HA ASP 32 -2.246 -9.617 -9.308 265 HB2 ASP 32 HB2 ASP 32 -0.357 -8.585 -10.117 266 HB3 ASP 32 HB3 ASP 32 0.327 -8.301 -8.522 267 H LYS 33 H LYS 33 -0.816 -9.271 -6.003 268 HA LYS 33 HA LYS 33 -0.771 -12.184 -5.702 269 HB2 LYS 33 HB2 LYS 33 -0.152 -9.954 -3.742 270 HB3 LYS 33 HB3 LYS 33 -0.062 -11.678 -3.357 271 HG2 LYS 33 HG2 LYS 33 1.560 -11.947 -5.299 272 HG3 LYS 33 HG3 LYS 33 1.598 -10.177 -5.409 273 HD2 LYS 33 HD2 LYS 33 2.277 -10.113 -2.981 274 HD3 LYS 33 HD3 LYS 33 2.353 -11.873 -2.993 275 HE2 LYS 33 HE2 LYS 33 4.033 -10.017 -4.737 276 HE3 LYS 33 HE3 LYS 33 4.580 -10.767 -3.233 277 HZ1 LYS 33 HZ1 LYS 33 3.840 -12.198 -5.705 278 HZ2 LYS 33 HZ2 LYS 33 5.344 -12.002 -5.113 279 HZ3 LYS 33 HZ3 LYS 33 4.270 -12.925 -4.266 280 H GLU 34 H GLU 34 -3.252 -9.747 -4.965 281 HA GLU 34 HA GLU 34 -4.883 -11.901 -3.819 282 HB2 GLU 34 HB2 GLU 34 -3.725 -10.333 -2.008 283 HB3 GLU 34 HB3 GLU 34 -4.895 -9.145 -2.563 284 HG2 GLU 34 HG2 GLU 34 -6.030 -10.100 -0.801 285 HG3 GLU 34 HG3 GLU 34 -6.638 -11.122 -2.107 286 H GLY 35 H GLY 35 -7.206 -11.489 -4.341 287 HA2 GLY 35 HA2 GLY 35 -7.492 -9.902 -6.726 288 HA3 GLY 35 HA3 GLY 35 -8.710 -10.895 -5.931 289 H ILE 36 H ILE 36 -7.123 -7.733 -5.986 290 HA ILE 36 HA ILE 36 -9.578 -6.493 -4.873 291 HB ILE 36 HB ILE 36 -7.954 -4.885 -3.653 292 HG12 ILE 36 HG12 ILE 36 -6.263 -7.420 -3.435 293 HG13 ILE 36 HG13 ILE 36 -5.841 -6.088 -4.504 294 HG21 ILE 36 HG21 ILE 36 -8.520 -7.639 -2.474 295 HG22 ILE 36 HG22 ILE 36 -8.324 -6.115 -1.584 296 HG23 ILE 36 HG23 ILE 36 -9.715 -6.336 -2.634 297 HD11 ILE 36 HD11 ILE 36 -6.084 -5.888 -1.484 298 HD12 ILE 36 HD12 ILE 36 -4.598 -5.943 -2.435 299 HD13 ILE 36 HD13 ILE 36 -5.688 -4.552 -2.604 300 HA PRO 37 HA PRO 37 -8.397 -4.410 -8.743 301 HB2 PRO 37 HB2 PRO 37 -11.042 -3.046 -8.391 302 HB3 PRO 37 HB3 PRO 37 -10.440 -3.969 -9.797 303 HG2 PRO 37 HG2 PRO 37 -12.360 -4.970 -8.133 304 HG3 PRO 37 HG3 PRO 37 -11.094 -6.020 -8.850 305 HD2 PRO 37 HD2 PRO 37 -11.161 -4.791 -6.083 306 HD3 PRO 37 HD3 PRO 37 -10.755 -6.463 -6.587 307 HA PRO 38 HA PRO 38 -7.413 -0.344 -7.030 308 HB2 PRO 38 HB2 PRO 38 -7.097 1.231 -9.215 309 HB3 PRO 38 HB3 PRO 38 -6.115 -0.231 -9.029 310 HG2 PRO 38 HG2 PRO 38 -8.619 0.147 -10.677 311 HG3 PRO 38 HG3 PRO 38 -7.069 -0.608 -11.168 312 HD2 PRO 38 HD2 PRO 38 -9.305 -1.992 -10.242 313 HD3 PRO 38 HD3 PRO 38 -7.644 -2.618 -10.132 314 H ASP 39 H ASP 39 -9.968 -0.976 -6.524 315 HA ASP 39 HA ASP 39 -11.596 1.482 -6.807 316 HB2 ASP 39 HB2 ASP 39 -12.239 -0.119 -8.586 317 HB3 ASP 39 HB3 ASP 39 -12.401 -1.401 -7.386 318 H GLN 40 H GLN 40 -12.488 1.911 -4.879 319 HA GLN 40 HA GLN 40 -12.695 1.949 -2.609 320 HB2 GLN 40 HB2 GLN 40 -13.794 -0.853 -2.930 321 HB3 GLN 40 HB3 GLN 40 -14.130 0.327 -1.664 322 HG2 GLN 40 HG2 GLN 40 -15.097 0.308 -4.513 323 HG3 GLN 40 HG3 GLN 40 -16.035 0.344 -3.034 324 HE21 GLN 40 HE21 GLN 40 -14.922 3.851 -4.838 325 HE22 GLN 40 HE22 GLN 40 -14.589 2.267 -5.518 326 H ASN 41 H ASN 41 -10.125 1.626 -3.248 327 HA ASN 41 HA ASN 41 -9.058 0.062 -1.016 328 HB2 ASN 41 HB2 ASN 41 -9.188 -1.451 -3.116 329 HB3 ASN 41 HB3 ASN 41 -8.060 -0.347 -3.876 330 HD21 ASN 41 HD21 ASN 41 -6.747 -3.156 -1.278 331 HD22 ASN 41 HD22 ASN 41 -8.480 -2.880 -1.533 332 H ARG 42 H ARG 42 -7.306 1.188 -0.133 333 HA ARG 42 HA ARG 42 -5.667 2.987 -1.781 334 HB2 ARG 42 HB2 ARG 42 -7.505 4.435 -1.058 335 HB3 ARG 42 HB3 ARG 42 -7.324 3.893 0.619 336 HG2 ARG 42 HG2 ARG 42 -5.059 4.954 0.682 337 HG3 ARG 42 HG3 ARG 42 -5.308 5.559 -0.965 338 HD2 ARG 42 HD2 ARG 42 -7.179 6.122 1.381 339 HD3 ARG 42 HD3 ARG 42 -5.822 7.165 0.975 340 HE ARG 42 HE ARG 42 -8.309 6.754 -0.603 341 HH11 ARG 42 HH11 ARG 42 -5.112 8.321 -0.576 342 HH12 ARG 42 HH12 ARG 42 -5.575 9.440 -1.832 343 HH21 ARG 42 HH21 ARG 42 -8.880 8.301 -2.120 344 HH22 ARG 42 HH22 ARG 42 -7.759 9.510 -2.636 345 H LEU 43 H LEU 43 -3.606 3.123 -0.901 346 HA LEU 43 HA LEU 43 -2.926 1.236 1.224 347 HB2 LEU 43 HB2 LEU 43 -1.778 1.476 -1.058 348 HB3 LEU 43 HB3 LEU 43 -1.199 3.047 -0.512 349 HG LEU 43 HG LEU 43 -0.040 1.819 1.413 350 HD11 LEU 43 HD11 LEU 43 -1.218 -0.294 1.452 351 HD12 LEU 43 HD12 LEU 43 -0.793 -0.619 -0.248 352 HD13 LEU 43 HD13 LEU 43 0.459 -0.601 1.008 353 HD21 LEU 43 HD21 LEU 43 1.811 1.041 -0.126 354 HD22 LEU 43 HD22 LEU 43 0.700 1.226 -1.493 355 HD23 LEU 43 HD23 LEU 43 1.186 2.634 -0.522 356 H ILE 44 H ILE 44 -2.129 1.847 3.245 357 HA ILE 44 HA ILE 44 -1.752 4.736 3.913 358 HB ILE 44 HB ILE 44 -3.163 2.664 5.637 359 HG12 ILE 44 HG12 ILE 44 -4.652 3.015 3.721 360 HG13 ILE 44 HG13 ILE 44 -5.302 3.576 5.242 361 HG21 ILE 44 HG21 ILE 44 -3.992 4.662 6.913 362 HG22 ILE 44 HG22 ILE 44 -2.224 4.483 6.948 363 HG23 ILE 44 HG23 ILE 44 -2.996 5.685 5.901 364 HD11 ILE 44 HD11 ILE 44 -5.797 5.107 3.322 365 HD12 ILE 44 HD12 ILE 44 -4.962 5.892 4.664 366 HD13 ILE 44 HD13 ILE 44 -4.077 5.450 3.187 367 H PHE 45 H PHE 45 -0.108 4.991 5.615 368 HA PHE 45 HA PHE 45 1.237 2.505 6.579 369 HB2 PHE 45 HB2 PHE 45 2.633 3.168 4.734 370 HB3 PHE 45 HB3 PHE 45 2.525 4.870 5.183 371 HD1 PHE 45 HD1 PHE 45 3.570 1.603 6.833 372 HD2 PHE 45 HD2 PHE 45 4.370 5.811 6.249 373 HE1 PHE 45 HE1 PHE 45 5.574 1.443 8.278 374 HE2 PHE 45 HE2 PHE 45 6.397 5.615 7.641 375 HZ PHE 45 HZ PHE 45 7.008 3.442 8.663 376 H ALA 46 H ALA 46 1.335 2.647 8.773 377 HA ALA 46 HA ALA 46 1.021 3.487 10.869 378 HB1 ALA 46 HB1 ALA 46 2.889 5.656 9.838 379 HB2 ALA 46 HB2 ALA 46 2.653 5.160 11.526 380 HB3 ALA 46 HB3 ALA 46 3.387 4.033 10.365 381 H GLY 47 H GLY 47 -1.085 4.192 9.139 382 HA2 GLY 47 HA2 GLY 47 -3.062 5.406 9.399 383 HA3 GLY 47 HA3 GLY 47 -2.275 6.414 10.608 384 H LYS 48 H LYS 48 -0.077 6.812 8.203 385 HA LYS 48 HA LYS 48 -1.339 9.301 7.289 386 HB2 LYS 48 HB2 LYS 48 1.002 9.338 7.928 387 HB3 LYS 48 HB3 LYS 48 1.407 8.077 6.758 388 HG2 LYS 48 HG2 LYS 48 1.329 9.485 4.963 389 HG3 LYS 48 HG3 LYS 48 0.020 10.472 5.604 390 HD2 LYS 48 HD2 LYS 48 2.823 10.622 6.771 391 HD3 LYS 48 HD3 LYS 48 2.321 11.559 5.358 392 HE2 LYS 48 HE2 LYS 48 0.427 12.524 6.650 393 HE3 LYS 48 HE3 LYS 48 0.967 11.660 8.099 394 HZ1 LYS 48 HZ1 LYS 48 2.996 12.936 8.033 395 HZ2 LYS 48 HZ2 LYS 48 2.523 13.687 6.620 396 HZ3 LYS 48 HZ3 LYS 48 1.722 13.976 8.004 397 H GLN 49 H GLN 49 -2.368 9.510 5.429 398 HA GLN 49 HA GLN 49 -3.078 7.219 3.858 399 HB2 GLN 49 HB2 GLN 49 -3.584 10.211 3.433 400 HB3 GLN 49 HB3 GLN 49 -4.353 8.907 2.544 401 HG2 GLN 49 HG2 GLN 49 -5.935 9.662 4.118 402 HG3 GLN 49 HG3 GLN 49 -5.384 8.088 4.678 403 HE21 GLN 49 HE21 GLN 49 -5.296 9.720 7.849 404 HE22 GLN 49 HE22 GLN 49 -6.220 8.621 6.849 405 H LEU 50 H LEU 50 -2.314 6.586 1.836 406 HA LEU 50 HA LEU 50 -0.206 8.247 0.589 407 HB2 LEU 50 HB2 LEU 50 -0.337 5.243 0.392 408 HB3 LEU 50 HB3 LEU 50 0.996 6.312 0.003 409 HG LEU 50 HG LEU 50 0.034 5.633 2.821 410 HD11 LEU 50 HD11 LEU 50 1.006 3.722 1.709 411 HD12 LEU 50 HD12 LEU 50 2.397 4.669 1.155 412 HD13 LEU 50 HD13 LEU 50 2.175 4.335 2.877 413 HD21 LEU 50 HD21 LEU 50 1.163 7.875 2.684 414 HD22 LEU 50 HD22 LEU 50 2.076 6.688 3.620 415 HD23 LEU 50 HD23 LEU 50 2.563 7.070 1.953 416 H GLU 51 H GLU 51 -0.076 7.994 -1.762 417 HA GLU 51 HA GLU 51 -1.958 6.526 -3.218 418 HB2 GLU 51 HB2 GLU 51 -3.193 8.332 -4.286 419 HB3 GLU 51 HB3 GLU 51 -3.568 8.143 -2.583 420 HG2 GLU 51 HG2 GLU 51 -1.943 10.101 -2.166 421 HG3 GLU 51 HG3 GLU 51 -2.012 10.357 -3.917 422 H ASP 52 H ASP 52 -1.807 7.505 -5.590 423 HA ASP 52 HA ASP 52 0.839 7.032 -6.417 424 HB2 ASP 52 HB2 ASP 52 -0.122 7.209 -8.633 425 HB3 ASP 52 HB3 ASP 52 -1.257 6.357 -7.593 426 H GLY 53 H GLY 53 1.976 8.284 -8.008 427 HA2 GLY 53 HA2 GLY 53 2.716 10.239 -8.993 428 HA3 GLY 53 HA3 GLY 53 1.870 11.219 -7.779 429 H ARG 54 H ARG 54 2.946 9.262 -5.614 430 HA ARG 54 HA ARG 54 5.688 10.461 -5.393 431 HB2 ARG 54 HB2 ARG 54 3.600 9.699 -3.344 432 HB3 ARG 54 HB3 ARG 54 5.285 9.976 -2.917 433 HG2 ARG 54 HG2 ARG 54 5.063 12.301 -3.978 434 HG3 ARG 54 HG3 ARG 54 3.314 11.977 -4.045 435 HD2 ARG 54 HD2 ARG 54 3.765 11.233 -1.490 436 HD3 ARG 54 HD3 ARG 54 5.112 12.348 -1.667 437 HE ARG 54 HE ARG 54 2.961 13.784 -2.547 438 HH11 ARG 54 HH11 ARG 54 4.074 12.195 0.403 439 HH12 ARG 54 HH12 ARG 54 3.470 13.317 1.523 440 HH21 ARG 54 HH21 ARG 54 1.858 15.254 -1.109 441 HH22 ARG 54 HH22 ARG 54 2.007 15.080 0.607 442 H THR 55 H THR 55 7.180 9.179 -3.981 443 HA THR 55 HA THR 55 7.005 6.265 -4.499 444 HB THR 55 HB THR 55 9.442 6.301 -4.539 445 HG1 THR 55 HG1 THR 55 9.179 9.113 -4.106 446 HG21 THR 55 HG21 THR 55 9.880 7.459 -6.633 447 HG22 THR 55 HG22 THR 55 8.340 6.594 -6.696 448 HG23 THR 55 HG23 THR 55 8.364 8.361 -6.494 449 H LEU 56 H LEU 56 8.510 5.073 -2.882 450 HA LEU 56 HA LEU 56 7.444 5.278 -0.267 451 HB2 LEU 56 HB2 LEU 56 9.854 3.895 -1.451 452 HB3 LEU 56 HB3 LEU 56 9.786 4.100 0.291 453 HG LEU 56 HG LEU 56 7.462 3.021 0.228 454 HD11 LEU 56 HD11 LEU 56 8.471 2.275 -2.545 455 HD12 LEU 56 HD12 LEU 56 7.197 1.401 -1.705 456 HD13 LEU 56 HD13 LEU 56 6.960 3.109 -2.156 457 HD21 LEU 56 HD21 LEU 56 9.858 1.330 -0.568 458 HD22 LEU 56 HD22 LEU 56 9.537 1.928 1.074 459 HD23 LEU 56 HD23 LEU 56 8.419 0.787 0.323 460 H SER 57 H SER 57 10.393 6.671 -1.660 461 HA SER 57 HA SER 57 11.630 7.686 0.654 462 HB2 SER 57 HB2 SER 57 12.646 7.389 -1.583 463 HB3 SER 57 HB3 SER 57 11.615 8.678 -2.224 464 HG SER 57 HG SER 57 13.733 9.292 -1.736 465 H ASP 58 H ASP 58 9.226 9.325 -1.587 466 HA ASP 58 HA ASP 58 9.310 11.839 -0.351 467 HB2 ASP 58 HB2 ASP 58 6.799 10.487 -1.405 468 HB3 ASP 58 HB3 ASP 58 7.061 12.207 -1.102 469 H TYR 59 H TYR 59 7.234 9.028 0.365 470 HA TYR 59 HA TYR 59 6.024 10.302 2.695 471 HB2 TYR 59 HB2 TYR 59 5.835 7.559 1.412 472 HB3 TYR 59 HB3 TYR 59 4.989 7.959 2.897 473 HD1 TYR 59 HD1 TYR 59 3.494 10.149 2.865 474 HD2 TYR 59 HD2 TYR 59 4.633 7.876 -0.629 475 HE1 TYR 59 HE1 TYR 59 1.464 10.913 1.717 476 HE2 TYR 59 HE2 TYR 59 2.571 8.647 -1.780 477 HH TYR 59 HH TYR 59 0.834 10.318 -1.733 478 H ASN 60 H ASN 60 9.066 9.061 2.350 479 HA ASN 60 HA ASN 60 10.682 8.244 3.655 480 HB2 ASN 60 HB2 ASN 60 10.192 10.367 4.792 481 HB3 ASN 60 HB3 ASN 60 9.034 9.539 5.840 482 HD21 ASN 60 HD21 ASN 60 11.577 8.932 8.212 483 HD22 ASN 60 HD22 ASN 60 9.956 9.517 7.835 484 H ILE 61 H ILE 61 8.949 6.311 2.920 485 HA ILE 61 HA ILE 61 8.208 4.626 5.211 486 HB ILE 61 HB ILE 61 8.068 4.205 2.195 487 HG12 ILE 61 HG12 ILE 61 5.890 4.895 4.222 488 HG13 ILE 61 HG13 ILE 61 6.614 6.030 3.091 489 HG21 ILE 61 HG21 ILE 61 6.823 2.528 4.428 490 HG22 ILE 61 HG22 ILE 61 6.607 2.269 2.686 491 HG23 ILE 61 HG23 ILE 61 8.186 2.032 3.398 492 HD11 ILE 61 HD11 ILE 61 4.856 3.671 2.375 493 HD12 ILE 61 HD12 ILE 61 4.513 5.397 2.201 494 HD13 ILE 61 HD13 ILE 61 5.756 4.645 1.186 495 H GLN 62 H GLN 62 9.565 3.101 6.061 496 HA GLN 62 HA GLN 62 12.208 2.695 4.765 497 HB2 GLN 62 HB2 GLN 62 11.318 1.975 7.589 498 HB3 GLN 62 HB3 GLN 62 12.964 1.946 6.945 499 HG2 GLN 62 HG2 GLN 62 11.245 4.375 7.503 500 HG3 GLN 62 HG3 GLN 62 12.751 3.905 8.297 501 HE21 GLN 62 HE21 GLN 62 13.031 6.458 5.259 502 HE22 GLN 62 HE22 GLN 62 11.669 6.251 6.327 503 H LYS 63 H LYS 63 13.165 0.448 5.303 504 HA LYS 63 HA LYS 63 11.556 -1.459 3.884 505 HB2 LYS 63 HB2 LYS 63 13.388 -2.954 4.044 506 HB3 LYS 63 HB3 LYS 63 14.067 -1.361 3.781 507 HG2 LYS 63 HG2 LYS 63 14.589 -1.191 6.213 508 HG3 LYS 63 HG3 LYS 63 13.941 -2.826 6.463 509 HD2 LYS 63 HD2 LYS 63 15.638 -3.757 4.920 510 HD3 LYS 63 HD3 LYS 63 16.244 -2.116 4.604 511 HE2 LYS 63 HE2 LYS 63 16.535 -1.979 7.190 512 HE3 LYS 63 HE3 LYS 63 16.396 -3.746 7.166 513 HZ1 LYS 63 HZ1 LYS 63 18.352 -2.157 5.619 514 HZ2 LYS 63 HZ2 LYS 63 18.689 -2.804 7.049 515 HZ3 LYS 63 HZ3 LYS 63 18.363 -3.805 5.762 516 H GLU 64 H GLU 64 10.918 -3.564 4.651 517 HA GLU 64 HA GLU 64 9.510 -4.770 5.825 518 HB2 GLU 64 HB2 GLU 64 11.689 -4.210 7.864 519 HB3 GLU 64 HB3 GLU 64 10.338 -5.287 8.188 520 HG2 GLU 64 HG2 GLU 64 12.016 -6.715 7.418 521 HG3 GLU 64 HG3 GLU 64 10.906 -6.569 6.070 522 H SER 65 H SER 65 8.605 -2.101 5.493 523 HA SER 65 HA SER 65 7.475 -1.182 8.011 524 HB2 SER 65 HB2 SER 65 6.127 0.239 6.228 525 HB3 SER 65 HB3 SER 65 7.814 0.608 6.615 526 HG SER 65 HG SER 65 8.439 -0.004 4.722 527 H THR 66 H THR 66 5.061 -1.019 8.254 528 HA THR 66 HA THR 66 3.638 -3.358 7.053 529 HB THR 66 HB THR 66 3.123 -2.292 9.836 530 HG1 THR 66 HG1 THR 66 5.313 -2.844 9.819 531 HG21 THR 66 HG21 THR 66 2.897 -5.046 8.600 532 HG22 THR 66 HG22 THR 66 2.338 -4.569 10.207 533 HG23 THR 66 HG23 THR 66 1.547 -3.899 8.760 534 H LEU 67 H LEU 67 2.372 -2.495 5.592 535 HA LEU 67 HA LEU 67 1.073 0.136 6.036 536 HB2 LEU 67 HB2 LEU 67 1.524 -1.516 3.507 537 HB3 LEU 67 HB3 LEU 67 0.689 0.024 3.596 538 HG LEU 67 HG LEU 67 2.916 0.929 4.662 539 HD11 LEU 67 HD11 LEU 67 3.938 -1.557 3.223 540 HD12 LEU 67 HD12 LEU 67 4.954 -0.152 3.607 541 HD13 LEU 67 HD13 LEU 67 4.249 -1.097 4.900 542 HD21 LEU 67 HD21 LEU 67 3.758 1.501 2.431 543 HD22 LEU 67 HD22 LEU 67 2.781 0.211 1.717 544 HD23 LEU 67 HD23 LEU 67 2.001 1.621 2.488 545 H HIS 68 H HIS 68 -1.157 0.297 5.289 546 HA HIS 68 HA HIS 68 -2.799 -2.158 5.705 547 HB2 HIS 68 HB2 HIS 68 -2.948 0.574 6.962 548 HB3 HIS 68 HB3 HIS 68 -4.465 -0.184 6.521 549 HD1 HIS 68 HD1 HIS 68 -1.951 -0.276 9.280 550 HD2 HIS 68 HD2 HIS 68 -4.981 -2.687 7.569 551 HE1 HIS 68 HE1 HIS 68 -2.633 -1.932 11.058 552 H LEU 69 H LEU 69 -4.965 -2.018 4.746 553 HA LEU 69 HA LEU 69 -5.129 -0.314 2.327 554 HB2 LEU 69 HB2 LEU 69 -6.125 -3.164 2.664 555 HB3 LEU 69 HB3 LEU 69 -6.394 -2.126 1.265 556 HG LEU 69 HG LEU 69 -3.726 -3.214 2.194 557 HD11 LEU 69 HD11 LEU 69 -5.203 -3.695 -0.413 558 HD12 LEU 69 HD12 LEU 69 -3.767 -4.543 0.185 559 HD13 LEU 69 HD13 LEU 69 -5.340 -4.786 0.962 560 HD21 LEU 69 HD21 LEU 69 -4.358 -1.420 -0.204 561 HD22 LEU 69 HD22 LEU 69 -3.390 -0.973 1.211 562 HD23 LEU 69 HD23 LEU 69 -2.799 -2.213 0.119 563 H VAL 70 H VAL 70 -6.920 0.994 2.351 564 HA VAL 70 HA VAL 70 -9.230 0.191 4.015 565 HB VAL 70 HB VAL 70 -9.343 2.263 5.190 566 HG11 VAL 70 HG11 VAL 70 -6.435 1.419 5.418 567 HG12 VAL 70 HG12 VAL 70 -7.393 2.317 6.608 568 HG13 VAL 70 HG13 VAL 70 -7.807 0.642 6.237 569 HG21 VAL 70 HG21 VAL 70 -7.053 3.201 3.461 570 HG22 VAL 70 HG22 VAL 70 -8.679 3.889 3.581 571 HG23 VAL 70 HG23 VAL 70 -7.577 4.047 4.945 572 H LEU 71 H LEU 71 -11.109 1.533 3.672 573 HA LEU 71 HA LEU 71 -11.327 3.046 1.167 574 HB2 LEU 71 HB2 LEU 71 -13.137 1.810 0.335 575 HB3 LEU 71 HB3 LEU 71 -11.880 0.638 0.647 576 HG LEU 71 HG LEU 71 -14.046 1.085 2.753 577 HD11 LEU 71 HD11 LEU 71 -14.345 -0.743 0.350 578 HD12 LEU 71 HD12 LEU 71 -15.461 -0.561 1.713 579 HD13 LEU 71 HD13 LEU 71 -15.233 0.785 0.592 580 HD21 LEU 71 HD21 LEU 71 -12.435 -1.321 1.872 581 HD22 LEU 71 HD22 LEU 71 -12.154 -0.385 3.350 582 HD23 LEU 71 HD23 LEU 71 -13.642 -1.323 3.170 583 H ARG 72 H ARG 72 -14.078 3.407 1.250 584 HA ARG 72 HA ARG 72 -14.918 4.142 3.900 585 HB2 ARG 72 HB2 ARG 72 -13.483 6.171 2.636 586 HB3 ARG 72 HB3 ARG 72 -15.108 6.460 2.018 587 HG2 ARG 72 HG2 ARG 72 -15.090 7.725 3.979 588 HG3 ARG 72 HG3 ARG 72 -15.878 6.243 4.491 589 HD2 ARG 72 HD2 ARG 72 -13.436 5.507 5.164 590 HD3 ARG 72 HD3 ARG 72 -13.058 7.232 5.039 591 HE ARG 72 HE ARG 72 -15.315 7.132 6.598 592 HH11 ARG 72 HH11 ARG 72 -12.140 5.524 6.942 593 HH12 ARG 72 HH12 ARG 72 -12.250 5.376 8.644 594 HH21 ARG 72 HH21 ARG 72 -15.581 6.721 8.761 595 HH22 ARG 72 HH22 ARG 72 -14.431 5.794 9.674 596 H LEU 73 H LEU 73 -17.200 3.700 3.794 597 HA LEU 73 HA LEU 73 -18.462 3.803 1.117 598 HB2 LEU 73 HB2 LEU 73 -17.424 1.421 1.959 599 HB3 LEU 73 HB3 LEU 73 -18.997 1.325 2.743 600 HG LEU 73 HG LEU 73 -18.505 1.869 -0.219 601 HD11 LEU 73 HD11 LEU 73 -19.198 -0.413 -0.639 602 HD12 LEU 73 HD12 LEU 73 -17.787 -0.398 0.430 603 HD13 LEU 73 HD13 LEU 73 -19.408 -0.709 1.110 604 HD21 LEU 73 HD21 LEU 73 -21.073 1.291 1.321 605 HD22 LEU 73 HD22 LEU 73 -20.654 2.750 0.356 606 HD23 LEU 73 HD23 LEU 73 -20.942 1.223 -0.448 607 H ARG 74 H ARG 74 -20.387 4.864 1.354 608 HA ARG 74 HA ARG 74 -21.470 5.124 4.115 609 HB2 ARG 74 HB2 ARG 74 -21.945 6.788 1.618 610 HB3 ARG 74 HB3 ARG 74 -22.678 7.084 3.188 611 HG2 ARG 74 HG2 ARG 74 -19.741 7.320 2.430 612 HG3 ARG 74 HG3 ARG 74 -20.832 8.612 2.910 613 HD2 ARG 74 HD2 ARG 74 -19.843 6.347 4.719 614 HD3 ARG 74 HD3 ARG 74 -19.231 7.984 4.715 615 HE ARG 74 HE ARG 74 -21.823 7.037 5.761 616 HH11 ARG 74 HH11 ARG 74 -19.941 9.895 4.880 617 HH12 ARG 74 HH12 ARG 74 -20.909 10.985 5.824 618 HH21 ARG 74 HH21 ARG 74 -23.013 8.426 7.132 619 HH22 ARG 74 HH22 ARG 74 -22.592 10.098 7.244 620 H GLY 75 H GLY 75 -22.045 3.392 1.242 621 HA2 GLY 75 HA2 GLY 75 -24.931 3.154 1.517 622 HA3 GLY 75 HA3 GLY 75 -23.864 2.253 0.435 623 H GLY 76 H GLY 76 -22.884 2.241 3.822 624 HA2 GLY 76 HA2 GLY 76 -24.333 0.272 5.042 625 HA3 GLY 76 HA3 GLY 76 -23.117 -0.593 4.072 Start of MODEL 16 1 H1 MET 1 H MET 1 15.186 -5.717 0.625 2 HA MET 1 HA MET 1 14.212 -4.108 2.223 3 HB2 MET 1 HB2 MET 1 14.797 -2.037 1.253 4 HB3 MET 1 HB3 MET 1 14.180 -2.491 -0.343 5 HG2 MET 1 HG2 MET 1 11.866 -2.396 0.517 6 HG3 MET 1 HG3 MET 1 12.474 -1.899 2.086 7 HE1 MET 1 HE1 MET 1 14.743 0.349 1.344 8 HE2 MET 1 HE2 MET 1 13.686 1.776 1.303 9 HE3 MET 1 HE3 MET 1 13.456 0.560 2.560 10 H GLN 2 H GLN 2 12.422 -5.200 2.807 11 HA GLN 2 HA GLN 2 10.472 -5.850 0.679 12 HB2 GLN 2 HB2 GLN 2 9.920 -7.891 2.011 13 HB3 GLN 2 HB3 GLN 2 11.465 -7.941 1.171 14 HG2 GLN 2 HG2 GLN 2 12.711 -7.570 3.212 15 HG3 GLN 2 HG3 GLN 2 11.237 -7.210 4.114 16 HE21 GLN 2 HE21 GLN 2 10.144 -10.679 4.300 17 HE22 GLN 2 HE22 GLN 2 9.578 -9.007 4.169 18 H ILE 3 H ILE 3 8.260 -5.668 1.379 19 HA ILE 3 HA ILE 3 7.852 -4.329 4.017 20 HB ILE 3 HB ILE 3 6.375 -2.689 3.030 21 HG12 ILE 3 HG12 ILE 3 7.231 -3.610 0.247 22 HG13 ILE 3 HG13 ILE 3 5.712 -4.094 0.991 23 HG21 ILE 3 HG21 ILE 3 8.054 -1.221 2.074 24 HG22 ILE 3 HG22 ILE 3 8.833 -2.225 3.298 25 HG23 ILE 3 HG23 ILE 3 9.068 -2.594 1.590 26 HD11 ILE 3 HD11 ILE 3 5.390 -2.216 -0.538 27 HD12 ILE 3 HD12 ILE 3 4.931 -1.800 1.121 28 HD13 ILE 3 HD13 ILE 3 6.455 -1.199 0.443 29 H PHE 4 H PHE 4 5.480 -4.326 4.601 30 HA PHE 4 HA PHE 4 4.126 -6.744 3.505 31 HB2 PHE 4 HB2 PHE 4 4.123 -5.672 6.339 32 HB3 PHE 4 HB3 PHE 4 3.233 -7.069 5.762 33 HD1 PHE 4 HD1 PHE 4 4.545 -9.129 4.975 34 HD2 PHE 4 HD2 PHE 4 6.335 -5.888 7.161 35 HE1 PHE 4 HE1 PHE 4 6.374 -10.647 5.728 36 HE2 PHE 4 HE2 PHE 4 8.121 -7.413 7.975 37 HZ PHE 4 HZ PHE 4 8.145 -9.796 7.260 38 H VAL 5 H VAL 5 1.865 -6.591 3.342 39 HA VAL 5 HA VAL 5 0.627 -3.977 4.048 40 HB VAL 5 HB VAL 5 0.205 -5.278 1.335 41 HG11 VAL 5 HG11 VAL 5 -1.704 -3.932 2.215 42 HG12 VAL 5 HG12 VAL 5 -0.617 -2.559 2.489 43 HG13 VAL 5 HG13 VAL 5 -0.947 -3.134 0.839 44 HG21 VAL 5 HG21 VAL 5 1.386 -3.344 0.350 45 HG22 VAL 5 HG22 VAL 5 1.912 -2.840 1.970 46 HG23 VAL 5 HG23 VAL 5 2.456 -4.368 1.290 47 H LYS 6 H LYS 6 -1.050 -4.266 5.176 48 HA LYS 6 HA LYS 6 -2.376 -6.878 5.541 49 HB2 LYS 6 HB2 LYS 6 -1.820 -5.615 7.536 50 HB3 LYS 6 HB3 LYS 6 -2.592 -4.165 6.911 51 HG2 LYS 6 HG2 LYS 6 -3.933 -5.184 8.679 52 HG3 LYS 6 HG3 LYS 6 -4.804 -5.102 7.171 53 HD2 LYS 6 HD2 LYS 6 -5.161 -7.200 8.435 54 HD3 LYS 6 HD3 LYS 6 -4.594 -7.461 6.794 55 HE2 LYS 6 HE2 LYS 6 -3.421 -9.018 8.169 56 HE3 LYS 6 HE3 LYS 6 -2.265 -7.782 7.681 57 HZ1 LYS 6 HZ1 LYS 6 -3.570 -8.121 10.294 58 HZ2 LYS 6 HZ2 LYS 6 -1.965 -8.160 9.943 59 HZ3 LYS 6 HZ3 LYS 6 -2.757 -6.718 9.888 60 H THR 7 H THR 7 -4.250 -7.446 4.429 61 HA THR 7 HA THR 7 -5.731 -5.386 2.931 62 HB THR 7 HB THR 7 -7.013 -7.389 2.151 63 HG1 THR 7 HG1 THR 7 -6.851 -9.144 3.236 64 HG21 THR 7 HG21 THR 7 -4.936 -6.759 0.902 65 HG22 THR 7 HG22 THR 7 -4.018 -7.893 1.934 66 HG23 THR 7 HG23 THR 7 -5.283 -8.499 0.853 67 H LEU 8 H LEU 8 -8.126 -5.320 3.191 68 HA LEU 8 HA LEU 8 -8.932 -5.028 5.907 69 HB2 LEU 8 HB2 LEU 8 -10.817 -4.089 5.139 70 HB3 LEU 8 HB3 LEU 8 -9.813 -3.857 3.728 71 HG LEU 8 HG LEU 8 -11.935 -6.063 4.074 72 HD11 LEU 8 HD11 LEU 8 -12.924 -3.834 3.979 73 HD12 LEU 8 HD12 LEU 8 -12.041 -3.481 2.481 74 HD13 LEU 8 HD13 LEU 8 -13.279 -4.753 2.514 75 HD21 LEU 8 HD21 LEU 8 -10.490 -5.203 1.547 76 HD22 LEU 8 HD22 LEU 8 -10.093 -6.673 2.455 77 HD23 LEU 8 HD23 LEU 8 -11.686 -6.493 1.706 78 H THR 9 H THR 9 -8.558 -7.901 4.289 79 HA THR 9 HA THR 9 -10.786 -9.390 5.522 80 HB THR 9 HB THR 9 -9.486 -11.239 4.137 81 HG1 THR 9 HG1 THR 9 -8.528 -10.027 2.251 82 HG21 THR 9 HG21 THR 9 -10.644 -10.542 2.064 83 HG22 THR 9 HG22 THR 9 -11.679 -10.371 3.491 84 HG23 THR 9 HG23 THR 9 -10.931 -8.931 2.769 85 H GLY 10 H GLY 10 -7.563 -8.409 6.219 86 HA2 GLY 10 HA2 GLY 10 -6.521 -8.791 8.246 87 HA3 GLY 10 HA3 GLY 10 -7.364 -10.315 8.434 88 H LYS 11 H LYS 11 -6.189 -10.138 5.231 89 HA LYS 11 HA LYS 11 -4.173 -12.135 5.921 90 HB2 LYS 11 HB2 LYS 11 -4.794 -10.798 3.242 91 HB3 LYS 11 HB3 LYS 11 -3.758 -12.173 3.446 92 HG2 LYS 11 HG2 LYS 11 -6.631 -12.421 4.393 93 HG3 LYS 11 HG3 LYS 11 -6.331 -12.335 2.677 94 HD2 LYS 11 HD2 LYS 11 -5.216 -14.409 4.587 95 HD3 LYS 11 HD3 LYS 11 -6.481 -14.648 3.384 96 HE2 LYS 11 HE2 LYS 11 -3.541 -14.069 2.824 97 HE3 LYS 11 HE3 LYS 11 -4.363 -15.605 2.609 98 HZ1 LYS 11 HZ1 LYS 11 -5.186 -13.196 1.078 99 HZ2 LYS 11 HZ2 LYS 11 -4.022 -14.227 0.578 100 HZ3 LYS 11 HZ3 LYS 11 -5.544 -14.772 0.799 101 H THR 12 H THR 12 -1.935 -11.901 5.076 102 HA THR 12 HA THR 12 -0.970 -9.111 4.986 103 HB THR 12 HB THR 12 0.638 -11.418 6.084 104 HG1 THR 12 HG1 THR 12 -0.078 -11.134 7.985 105 HG21 THR 12 HG21 THR 12 1.802 -9.483 7.217 106 HG22 THR 12 HG22 THR 12 1.910 -9.446 5.457 107 HG23 THR 12 HG23 THR 12 0.768 -8.374 6.291 108 H ILE 13 H ILE 13 0.447 -8.692 3.394 109 HA ILE 13 HA ILE 13 1.143 -10.825 1.447 110 HB ILE 13 HB ILE 13 0.392 -7.893 1.086 111 HG12 ILE 13 HG12 ILE 13 -1.621 -9.204 1.455 112 HG13 ILE 13 HG13 ILE 13 -1.533 -8.673 -0.217 113 HG21 ILE 13 HG21 ILE 13 2.105 -8.422 -0.530 114 HG22 ILE 13 HG22 ILE 13 1.219 -9.871 -1.061 115 HG23 ILE 13 HG23 ILE 13 0.538 -8.241 -1.299 116 HD11 ILE 13 HD11 ILE 13 -2.377 -10.949 -0.076 117 HD12 ILE 13 HD12 ILE 13 -0.821 -10.962 -0.914 118 HD13 ILE 13 HD13 ILE 13 -0.931 -11.496 0.775 119 H THR 14 H THR 14 3.328 -10.498 0.554 120 HA THR 14 HA THR 14 5.062 -8.604 2.014 121 HB THR 14 HB THR 14 5.784 -11.489 1.456 122 HG1 THR 14 HG1 THR 14 4.363 -11.530 3.152 123 HG21 THR 14 HG21 THR 14 7.142 -9.257 3.047 124 HG22 THR 14 HG22 THR 14 7.681 -10.946 3.015 125 HG23 THR 14 HG23 THR 14 7.737 -9.970 1.533 126 H LEU 15 H LEU 15 6.388 -7.480 0.617 127 HA LEU 15 HA LEU 15 6.773 -8.436 -2.177 128 HB2 LEU 15 HB2 LEU 15 5.719 -5.723 -1.241 129 HB3 LEU 15 HB3 LEU 15 6.350 -5.998 -2.850 130 HG LEU 15 HG LEU 15 3.956 -7.516 -1.750 131 HD11 LEU 15 HD11 LEU 15 2.614 -5.951 -3.120 132 HD12 LEU 15 HD12 LEU 15 3.449 -5.138 -1.798 133 HD13 LEU 15 HD13 LEU 15 4.084 -5.000 -3.448 134 HD21 LEU 15 HD21 LEU 15 5.197 -7.249 -4.527 135 HD22 LEU 15 HD22 LEU 15 5.040 -8.718 -3.522 136 HD23 LEU 15 HD23 LEU 15 3.611 -7.973 -4.209 137 H GLU 16 H GLU 16 8.541 -7.559 -3.195 138 HA GLU 16 HA GLU 16 10.721 -6.419 -1.522 139 HB2 GLU 16 HB2 GLU 16 11.254 -8.503 -2.666 140 HB3 GLU 16 HB3 GLU 16 10.596 -7.895 -4.199 141 HG2 GLU 16 HG2 GLU 16 12.405 -6.202 -4.326 142 HG3 GLU 16 HG3 GLU 16 13.050 -6.779 -2.793 143 H VAL 17 H VAL 17 10.937 -4.226 -1.742 144 HA VAL 17 HA VAL 17 10.311 -2.891 -4.305 145 HB VAL 17 HB VAL 17 9.111 -1.103 -3.165 146 HG11 VAL 17 HG11 VAL 17 7.824 -2.996 -4.109 147 HG12 VAL 17 HG12 VAL 17 7.810 -3.774 -2.507 148 HG13 VAL 17 HG13 VAL 17 7.007 -2.208 -2.751 149 HG21 VAL 17 HG21 VAL 17 10.098 -1.259 -0.912 150 HG22 VAL 17 HG22 VAL 17 8.339 -1.316 -0.845 151 HG23 VAL 17 HG23 VAL 17 9.281 -2.815 -0.658 152 H GLU 18 H GLU 18 10.965 -0.283 -3.640 153 HA GLU 18 HA GLU 18 13.478 -0.286 -2.199 154 HB2 GLU 18 HB2 GLU 18 14.759 0.585 -4.103 155 HB3 GLU 18 HB3 GLU 18 14.188 -1.041 -4.363 156 HG2 GLU 18 HG2 GLU 18 12.347 -0.154 -5.830 157 HG3 GLU 18 HG3 GLU 18 12.978 1.482 -5.568 158 HA PRO 19 HA PRO 19 12.433 3.764 -1.027 159 HB2 PRO 19 HB2 PRO 19 14.908 4.893 -2.319 160 HB3 PRO 19 HB3 PRO 19 14.299 5.138 -0.659 161 HG2 PRO 19 HG2 PRO 19 16.328 3.456 -1.109 162 HG3 PRO 19 HG3 PRO 19 15.012 3.016 0.032 163 HD2 PRO 19 HD2 PRO 19 15.403 2.137 -2.818 164 HD3 PRO 19 HD3 PRO 19 14.906 1.164 -1.396 165 H SER 20 H SER 20 13.097 3.380 -4.484 166 HA SER 20 HA SER 20 11.538 5.865 -5.025 167 HB2 SER 20 HB2 SER 20 13.631 4.458 -6.711 168 HB3 SER 20 HB3 SER 20 12.752 5.927 -7.148 169 HG SER 20 HG SER 20 13.979 7.062 -5.883 170 H ASP 21 H ASP 21 10.390 3.067 -4.404 171 HA ASP 21 HA ASP 21 9.265 2.428 -7.080 172 HB2 ASP 21 HB2 ASP 21 9.809 0.623 -5.350 173 HB3 ASP 21 HB3 ASP 21 8.465 1.242 -4.382 174 H THR 22 H THR 22 7.255 3.400 -7.739 175 HA THR 22 HA THR 22 6.279 5.453 -5.938 176 HB THR 22 HB THR 22 4.625 5.895 -7.776 177 HG1 THR 22 HG1 THR 22 5.005 4.917 -9.740 178 HG21 THR 22 HG21 THR 22 7.564 5.860 -8.591 179 HG22 THR 22 HG22 THR 22 6.280 6.850 -9.317 180 HG23 THR 22 HG23 THR 22 6.747 7.123 -7.640 181 H ILE 23 H ILE 23 4.037 5.675 -5.230 182 HA ILE 23 HA ILE 23 3.086 3.250 -4.000 183 HB ILE 23 HB ILE 23 1.706 5.879 -4.540 184 HG12 ILE 23 HG12 ILE 23 3.646 6.021 -2.995 185 HG13 ILE 23 HG13 ILE 23 2.095 6.447 -2.247 186 HG21 ILE 23 HG21 ILE 23 -0.139 4.399 -4.228 187 HG22 ILE 23 HG22 ILE 23 0.658 3.565 -2.881 188 HG23 ILE 23 HG23 ILE 23 0.080 5.230 -2.687 189 HD11 ILE 23 HD11 ILE 23 3.291 3.689 -1.879 190 HD12 ILE 23 HD12 ILE 23 3.622 5.065 -0.809 191 HD13 ILE 23 HD13 ILE 23 1.975 4.462 -0.991 192 H GLU 24 H GLU 24 2.504 4.636 -7.165 193 HA GLU 24 HA GLU 24 0.116 3.400 -7.961 194 HB2 GLU 24 HB2 GLU 24 1.299 5.070 -9.274 195 HB3 GLU 24 HB3 GLU 24 2.721 4.048 -9.413 196 HG2 GLU 24 HG2 GLU 24 1.592 2.504 -10.888 197 HG3 GLU 24 HG3 GLU 24 0.030 3.304 -10.602 198 H ASN 25 H ASN 25 3.463 2.232 -8.016 199 HA ASN 25 HA ASN 25 2.895 -0.348 -9.137 200 HB2 ASN 25 HB2 ASN 25 5.349 0.924 -7.860 201 HB3 ASN 25 HB3 ASN 25 5.295 -0.772 -8.334 202 HD21 ASN 25 HD21 ASN 25 5.447 2.051 -11.281 203 HD22 ASN 25 HD22 ASN 25 5.610 2.517 -9.599 204 H VAL 26 H VAL 26 3.707 0.755 -5.790 205 HA VAL 26 HA VAL 26 3.454 -1.766 -4.565 206 HB VAL 26 HB VAL 26 2.751 0.958 -3.410 207 HG11 VAL 26 HG11 VAL 26 1.924 -0.830 -1.944 208 HG12 VAL 26 HG12 VAL 26 3.501 -1.642 -2.015 209 HG13 VAL 26 HG13 VAL 26 3.342 -0.057 -1.219 210 HG21 VAL 26 HG21 VAL 26 5.069 0.936 -4.287 211 HG22 VAL 26 HG22 VAL 26 5.078 0.937 -2.527 212 HG23 VAL 26 HG23 VAL 26 5.392 -0.566 -3.423 213 H LYS 27 H LYS 27 0.886 0.609 -5.357 214 HA LYS 27 HA LYS 27 -1.246 -0.941 -4.200 215 HB2 LYS 27 HB2 LYS 27 -1.075 1.581 -4.542 216 HB3 LYS 27 HB3 LYS 27 -1.430 1.301 -6.249 217 HG2 LYS 27 HG2 LYS 27 -3.640 0.348 -5.599 218 HG3 LYS 27 HG3 LYS 27 -3.199 0.492 -3.889 219 HD2 LYS 27 HD2 LYS 27 -4.662 2.323 -4.477 220 HD3 LYS 27 HD3 LYS 27 -3.047 2.975 -4.150 221 HE2 LYS 27 HE2 LYS 27 -2.586 3.312 -6.469 222 HE3 LYS 27 HE3 LYS 27 -3.888 2.233 -6.965 223 HZ1 LYS 27 HZ1 LYS 27 -5.489 3.794 -6.378 224 HZ2 LYS 27 HZ2 LYS 27 -4.409 4.822 -5.653 225 HZ3 LYS 27 HZ3 LYS 27 -4.370 4.577 -7.291 226 H ALA 28 H ALA 28 0.510 -1.344 -7.127 227 HA ALA 28 HA ALA 28 -1.713 -2.621 -8.606 228 HB1 ALA 28 HB1 ALA 28 1.218 -2.409 -9.392 229 HB2 ALA 28 HB2 ALA 28 -0.192 -2.765 -10.411 230 HB3 ALA 28 HB3 ALA 28 0.019 -1.146 -9.713 231 H LYS 29 H LYS 29 1.466 -3.399 -7.219 232 HA LYS 29 HA LYS 29 1.598 -6.118 -7.717 233 HB2 LYS 29 HB2 LYS 29 2.501 -4.554 -5.271 234 HB3 LYS 29 HB3 LYS 29 3.019 -6.206 -5.632 235 HG2 LYS 29 HG2 LYS 29 4.203 -5.528 -7.609 236 HG3 LYS 29 HG3 LYS 29 3.516 -3.909 -7.570 237 HD2 LYS 29 HD2 LYS 29 4.646 -3.593 -5.288 238 HD3 LYS 29 HD3 LYS 29 5.514 -5.094 -5.608 239 HE2 LYS 29 HE2 LYS 29 5.680 -2.459 -7.133 240 HE3 LYS 29 HE3 LYS 29 6.918 -3.207 -6.156 241 HZ1 LYS 29 HZ1 LYS 29 6.762 -5.117 -7.841 242 HZ2 LYS 29 HZ2 LYS 29 6.020 -3.997 -8.815 243 HZ3 LYS 29 HZ3 LYS 29 7.538 -3.737 -8.265 244 H ILE 30 H ILE 30 -0.193 -4.514 -5.074 245 HA ILE 30 HA ILE 30 -0.933 -6.884 -3.730 246 HB ILE 30 HB ILE 30 -2.715 -5.569 -2.663 247 HG12 ILE 30 HG12 ILE 30 -1.643 -3.264 -4.332 248 HG13 ILE 30 HG13 ILE 30 -3.198 -4.059 -4.617 249 HG21 ILE 30 HG21 ILE 30 -1.156 -4.218 -1.370 250 HG22 ILE 30 HG22 ILE 30 -0.367 -5.723 -1.825 251 HG23 ILE 30 HG23 ILE 30 0.028 -4.226 -2.691 252 HD11 ILE 30 HD11 ILE 30 -3.934 -3.379 -2.332 253 HD12 ILE 30 HD12 ILE 30 -2.413 -2.459 -2.165 254 HD13 ILE 30 HD13 ILE 30 -3.586 -2.017 -3.415 255 H GLN 31 H GLN 31 -2.362 -5.402 -6.622 256 HA GLN 31 HA GLN 31 -4.809 -6.951 -6.569 257 HB2 GLN 31 HB2 GLN 31 -3.485 -5.691 -8.996 258 HB3 GLN 31 HB3 GLN 31 -5.193 -6.013 -8.746 259 HG2 GLN 31 HG2 GLN 31 -5.375 -4.139 -7.198 260 HG3 GLN 31 HG3 GLN 31 -3.628 -3.938 -7.165 261 HE21 GLN 31 HE21 GLN 31 -4.153 -1.381 -9.559 262 HE22 GLN 31 HE22 GLN 31 -3.764 -1.750 -7.865 263 H ASP 32 H ASP 32 -1.510 -7.562 -7.523 264 HA ASP 32 HA ASP 32 -2.163 -9.676 -9.500 265 HB2 ASP 32 HB2 ASP 32 -0.261 -8.455 -10.063 266 HB3 ASP 32 HB3 ASP 32 0.332 -8.380 -8.418 267 H LYS 33 H LYS 33 -0.905 -9.413 -6.150 268 HA LYS 33 HA LYS 33 -0.923 -12.362 -5.941 269 HB2 LYS 33 HB2 LYS 33 0.218 -10.143 -4.393 270 HB3 LYS 33 HB3 LYS 33 -0.263 -11.535 -3.429 271 HG2 LYS 33 HG2 LYS 33 1.100 -13.008 -4.765 272 HG3 LYS 33 HG3 LYS 33 1.549 -11.686 -5.874 273 HD2 LYS 33 HD2 LYS 33 2.768 -10.531 -4.170 274 HD3 LYS 33 HD3 LYS 33 2.128 -11.549 -2.884 275 HE2 LYS 33 HE2 LYS 33 3.980 -12.508 -5.117 276 HE3 LYS 33 HE3 LYS 33 4.462 -12.079 -3.470 277 HZ1 LYS 33 HZ1 LYS 33 2.859 -14.389 -4.311 278 HZ2 LYS 33 HZ2 LYS 33 4.238 -14.350 -3.423 279 HZ3 LYS 33 HZ3 LYS 33 2.814 -13.857 -2.760 280 H GLU 34 H GLU 34 -3.365 -9.985 -5.326 281 HA GLU 34 HA GLU 34 -4.905 -12.016 -3.864 282 HB2 GLU 34 HB2 GLU 34 -3.777 -10.342 -2.226 283 HB3 GLU 34 HB3 GLU 34 -4.718 -9.092 -3.002 284 HG2 GLU 34 HG2 GLU 34 -6.012 -9.560 -1.170 285 HG3 GLU 34 HG3 GLU 34 -6.800 -10.582 -2.357 286 H GLY 35 H GLY 35 -7.207 -11.721 -4.387 287 HA2 GLY 35 HA2 GLY 35 -7.663 -10.424 -6.930 288 HA3 GLY 35 HA3 GLY 35 -8.803 -11.367 -5.984 289 H ILE 36 H ILE 36 -7.089 -8.172 -5.736 290 HA ILE 36 HA ILE 36 -9.724 -6.984 -4.939 291 HB ILE 36 HB ILE 36 -8.503 -5.523 -3.373 292 HG12 ILE 36 HG12 ILE 36 -6.224 -7.546 -3.608 293 HG13 ILE 36 HG13 ILE 36 -6.133 -5.902 -4.201 294 HG21 ILE 36 HG21 ILE 36 -8.392 -8.529 -2.794 295 HG22 ILE 36 HG22 ILE 36 -8.566 -7.240 -1.599 296 HG23 ILE 36 HG23 ILE 36 -9.858 -7.538 -2.751 297 HD11 ILE 36 HD11 ILE 36 -6.412 -6.716 -1.295 298 HD12 ILE 36 HD12 ILE 36 -5.017 -5.986 -2.094 299 HD13 ILE 36 HD13 ILE 36 -6.504 -5.040 -1.892 300 HA PRO 37 HA PRO 37 -8.555 -4.638 -8.628 301 HB2 PRO 37 HB2 PRO 37 -11.299 -3.478 -8.193 302 HB3 PRO 37 HB3 PRO 37 -10.592 -4.144 -9.697 303 HG2 PRO 37 HG2 PRO 37 -12.416 -5.561 -8.295 304 HG3 PRO 37 HG3 PRO 37 -10.972 -6.376 -8.991 305 HD2 PRO 37 HD2 PRO 37 -11.388 -5.406 -6.144 306 HD3 PRO 37 HD3 PRO 37 -10.774 -6.981 -6.732 307 HA PRO 38 HA PRO 38 -7.737 -0.536 -6.955 308 HB2 PRO 38 HB2 PRO 38 -7.257 0.961 -9.140 309 HB3 PRO 38 HB3 PRO 38 -6.288 -0.488 -8.810 310 HG2 PRO 38 HG2 PRO 38 -8.712 -0.259 -10.631 311 HG3 PRO 38 HG3 PRO 38 -7.103 -0.928 -11.027 312 HD2 PRO 38 HD2 PRO 38 -9.211 -2.494 -10.215 313 HD3 PRO 38 HD3 PRO 38 -7.517 -2.905 -9.806 314 H ASP 39 H ASP 39 -10.284 -1.043 -6.494 315 HA ASP 39 HA ASP 39 -11.816 1.450 -6.929 316 HB2 ASP 39 HB2 ASP 39 -12.737 -0.014 -8.579 317 HB3 ASP 39 HB3 ASP 39 -12.664 -1.415 -7.489 318 H GLN 40 H GLN 40 -12.727 2.029 -5.050 319 HA GLN 40 HA GLN 40 -12.765 2.290 -2.788 320 HB2 GLN 40 HB2 GLN 40 -14.122 -0.423 -2.790 321 HB3 GLN 40 HB3 GLN 40 -14.306 0.906 -1.651 322 HG2 GLN 40 HG2 GLN 40 -15.363 0.666 -4.448 323 HG3 GLN 40 HG3 GLN 40 -16.232 0.977 -2.958 324 HE21 GLN 40 HE21 GLN 40 -15.030 4.097 -5.222 325 HE22 GLN 40 HE22 GLN 40 -15.034 2.413 -5.745 326 H ASN 41 H ASN 41 -10.272 1.814 -3.278 327 HA ASN 41 HA ASN 41 -9.362 0.269 -0.992 328 HB2 ASN 41 HB2 ASN 41 -8.751 -0.442 -3.895 329 HB3 ASN 41 HB3 ASN 41 -7.502 -0.668 -2.662 330 HD21 ASN 41 HD21 ASN 41 -10.208 -3.579 -3.042 331 HD22 ASN 41 HD22 ASN 41 -9.883 -2.382 -4.269 332 H ARG 42 H ARG 42 -7.613 1.385 -0.082 333 HA ARG 42 HA ARG 42 -5.924 3.146 -1.712 334 HB2 ARG 42 HB2 ARG 42 -7.982 4.461 -1.129 335 HB3 ARG 42 HB3 ARG 42 -7.621 4.205 0.584 336 HG2 ARG 42 HG2 ARG 42 -5.480 5.426 0.251 337 HG3 ARG 42 HG3 ARG 42 -5.893 5.697 -1.452 338 HD2 ARG 42 HD2 ARG 42 -7.796 6.505 0.765 339 HD3 ARG 42 HD3 ARG 42 -6.520 7.577 0.297 340 HE ARG 42 HE ARG 42 -8.875 6.821 -1.300 341 HH11 ARG 42 HH11 ARG 42 -5.822 8.682 -1.140 342 HH12 ARG 42 HH12 ARG 42 -6.245 9.679 -2.493 343 HH21 ARG 42 HH21 ARG 42 -9.414 8.189 -3.030 344 HH22 ARG 42 HH22 ARG 42 -8.306 9.349 -3.631 345 H LEU 43 H LEU 43 -3.949 3.406 -0.751 346 HA LEU 43 HA LEU 43 -3.306 1.575 1.415 347 HB2 LEU 43 HB2 LEU 43 -2.177 1.905 -0.897 348 HB3 LEU 43 HB3 LEU 43 -1.493 3.377 -0.221 349 HG LEU 43 HG LEU 43 -0.374 1.955 1.548 350 HD11 LEU 43 HD11 LEU 43 -1.827 -0.058 1.509 351 HD12 LEU 43 HD12 LEU 43 -1.367 -0.366 -0.177 352 HD13 LEU 43 HD13 LEU 43 -0.160 -0.480 1.118 353 HD21 LEU 43 HD21 LEU 43 1.313 1.046 -0.083 354 HD22 LEU 43 HD22 LEU 43 0.149 1.279 -1.396 355 HD23 LEU 43 HD23 LEU 43 0.785 2.674 -0.506 356 H ILE 44 H ILE 44 -2.358 2.065 3.358 357 HA ILE 44 HA ILE 44 -2.012 4.885 4.218 358 HB ILE 44 HB ILE 44 -3.306 2.635 5.814 359 HG12 ILE 44 HG12 ILE 44 -4.880 3.445 4.011 360 HG13 ILE 44 HG13 ILE 44 -5.445 3.481 5.678 361 HG21 ILE 44 HG21 ILE 44 -3.928 4.430 7.444 362 HG22 ILE 44 HG22 ILE 44 -2.189 4.192 7.291 363 HG23 ILE 44 HG23 ILE 44 -2.958 5.576 6.502 364 HD11 ILE 44 HD11 ILE 44 -6.013 5.509 4.242 365 HD12 ILE 44 HD12 ILE 44 -5.315 5.845 5.829 366 HD13 ILE 44 HD13 ILE 44 -4.296 5.950 4.386 367 H PHE 45 H PHE 45 -0.261 5.062 5.789 368 HA PHE 45 HA PHE 45 1.120 2.557 6.647 369 HB2 PHE 45 HB2 PHE 45 2.424 3.244 4.757 370 HB3 PHE 45 HB3 PHE 45 2.388 4.935 5.251 371 HD1 PHE 45 HD1 PHE 45 3.362 1.619 6.809 372 HD2 PHE 45 HD2 PHE 45 4.409 5.742 6.105 373 HE1 PHE 45 HE1 PHE 45 5.448 1.320 8.109 374 HE2 PHE 45 HE2 PHE 45 6.518 5.411 7.344 375 HZ PHE 45 HZ PHE 45 7.045 3.215 8.361 376 H ALA 46 H ALA 46 0.997 2.674 8.838 377 HA ALA 46 HA ALA 46 0.734 3.494 10.938 378 HB1 ALA 46 HB1 ALA 46 2.903 5.440 10.063 379 HB2 ALA 46 HB2 ALA 46 2.516 4.937 11.718 380 HB3 ALA 46 HB3 ALA 46 3.170 3.757 10.565 381 H GLY 47 H GLY 47 -1.295 4.355 9.335 382 HA2 GLY 47 HA2 GLY 47 -3.109 5.754 9.556 383 HA3 GLY 47 HA3 GLY 47 -2.190 6.759 10.671 384 H LYS 48 H LYS 48 -0.072 6.839 8.216 385 HA LYS 48 HA LYS 48 -1.064 9.389 7.226 386 HB2 LYS 48 HB2 LYS 48 1.294 9.007 7.804 387 HB3 LYS 48 HB3 LYS 48 1.423 7.767 6.552 388 HG2 LYS 48 HG2 LYS 48 1.134 9.329 4.783 389 HG3 LYS 48 HG3 LYS 48 0.666 10.631 5.893 390 HD2 LYS 48 HD2 LYS 48 3.365 9.240 6.149 391 HD3 LYS 48 HD3 LYS 48 3.132 10.523 4.970 392 HE2 LYS 48 HE2 LYS 48 2.062 11.248 7.636 393 HE3 LYS 48 HE3 LYS 48 3.782 10.846 7.684 394 HZ1 LYS 48 HZ1 LYS 48 4.230 12.448 6.045 395 HZ2 LYS 48 HZ2 LYS 48 2.637 12.771 5.785 396 HZ3 LYS 48 HZ3 LYS 48 3.330 13.206 7.213 397 H GLN 49 H GLN 49 -2.106 9.733 5.372 398 HA GLN 49 HA GLN 49 -3.088 7.574 3.748 399 HB2 GLN 49 HB2 GLN 49 -3.261 10.609 3.370 400 HB3 GLN 49 HB3 GLN 49 -4.200 9.414 2.509 401 HG2 GLN 49 HG2 GLN 49 -5.679 10.225 4.095 402 HG3 GLN 49 HG3 GLN 49 -5.153 8.685 4.778 403 HE21 GLN 49 HE21 GLN 49 -5.161 10.927 7.664 404 HE22 GLN 49 HE22 GLN 49 -6.205 9.970 6.640 405 H LEU 50 H LEU 50 -2.217 6.797 1.829 406 HA LEU 50 HA LEU 50 -0.079 8.413 0.522 407 HB2 LEU 50 HB2 LEU 50 -0.292 5.415 0.358 408 HB3 LEU 50 HB3 LEU 50 1.094 6.442 0.041 409 HG LEU 50 HG LEU 50 -0.043 5.774 2.793 410 HD11 LEU 50 HD11 LEU 50 0.929 3.838 1.677 411 HD12 LEU 50 HD12 LEU 50 2.407 4.749 1.312 412 HD13 LEU 50 HD13 LEU 50 1.992 4.382 2.979 413 HD21 LEU 50 HD21 LEU 50 1.192 7.989 2.694 414 HD22 LEU 50 HD22 LEU 50 1.961 6.774 3.729 415 HD23 LEU 50 HD23 LEU 50 2.601 7.092 2.104 416 H GLU 51 H GLU 51 -0.059 8.360 -1.802 417 HA GLU 51 HA GLU 51 -1.978 6.756 -3.250 418 HB2 GLU 51 HB2 GLU 51 -3.009 8.615 -4.427 419 HB3 GLU 51 HB3 GLU 51 -3.486 8.560 -2.751 420 HG2 GLU 51 HG2 GLU 51 -1.248 10.381 -3.702 421 HG3 GLU 51 HG3 GLU 51 -2.939 10.828 -3.923 422 H ASP 52 H ASP 52 -1.711 7.482 -5.713 423 HA ASP 52 HA ASP 52 0.994 6.909 -6.334 424 HB2 ASP 52 HB2 ASP 52 0.249 6.829 -8.619 425 HB3 ASP 52 HB3 ASP 52 -0.922 5.999 -7.588 426 H GLY 53 H GLY 53 2.196 7.946 -8.024 427 HA2 GLY 53 HA2 GLY 53 3.018 9.799 -9.172 428 HA3 GLY 53 HA3 GLY 53 2.093 10.886 -8.128 429 H ARG 54 H ARG 54 3.039 9.204 -5.704 430 HA ARG 54 HA ARG 54 5.729 10.471 -5.468 431 HB2 ARG 54 HB2 ARG 54 4.230 9.622 -3.068 432 HB3 ARG 54 HB3 ARG 54 5.322 10.963 -3.251 433 HG2 ARG 54 HG2 ARG 54 2.427 10.847 -4.284 434 HG3 ARG 54 HG3 ARG 54 2.965 11.616 -2.810 435 HD2 ARG 54 HD2 ARG 54 3.948 12.481 -5.569 436 HD3 ARG 54 HD3 ARG 54 2.572 13.190 -4.727 437 HE ARG 54 HE ARG 54 3.913 14.167 -3.141 438 HH11 ARG 54 HH11 ARG 54 5.911 12.645 -5.658 439 HH12 ARG 54 HH12 ARG 54 7.379 12.758 -4.767 440 HH21 ARG 54 HH21 ARG 54 5.923 14.766 -2.164 441 HH22 ARG 54 HH22 ARG 54 7.402 14.459 -3.016 442 H THR 55 H THR 55 7.209 9.377 -3.866 443 HA THR 55 HA THR 55 7.284 6.441 -4.379 444 HB THR 55 HB THR 55 9.722 6.764 -4.202 445 HG1 THR 55 HG1 THR 55 9.228 9.574 -4.100 446 HG21 THR 55 HG21 THR 55 10.168 8.006 -6.257 447 HG22 THR 55 HG22 THR 55 8.788 6.920 -6.447 448 HG23 THR 55 HG23 THR 55 8.528 8.676 -6.252 449 H LEU 56 H LEU 56 8.738 5.251 -2.794 450 HA LEU 56 HA LEU 56 7.677 5.248 -0.192 451 HB2 LEU 56 HB2 LEU 56 10.000 3.957 -1.566 452 HB3 LEU 56 HB3 LEU 56 10.267 4.271 0.133 453 HG LEU 56 HG LEU 56 7.850 3.109 0.381 454 HD11 LEU 56 HD11 LEU 56 9.091 1.643 -1.988 455 HD12 LEU 56 HD12 LEU 56 7.611 1.210 -1.137 456 HD13 LEU 56 HD13 LEU 56 7.689 2.688 -2.123 457 HD21 LEU 56 HD21 LEU 56 10.480 1.640 0.027 458 HD22 LEU 56 HD22 LEU 56 9.918 2.413 1.524 459 HD23 LEU 56 HD23 LEU 56 9.054 1.010 0.879 460 H SER 57 H SER 57 10.661 6.768 -1.447 461 HA SER 57 HA SER 57 11.631 7.850 0.991 462 HB2 SER 57 HB2 SER 57 11.992 8.838 -1.875 463 HB3 SER 57 HB3 SER 57 12.995 9.281 -0.478 464 HG SER 57 HG SER 57 12.768 6.834 -1.839 465 H ASP 58 H ASP 58 9.150 9.122 -1.261 466 HA ASP 58 HA ASP 58 9.249 11.824 -0.209 467 HB2 ASP 58 HB2 ASP 58 7.114 10.362 -1.787 468 HB3 ASP 58 HB3 ASP 58 7.059 12.072 -1.347 469 H TYR 59 H TYR 59 7.178 8.994 0.447 470 HA TYR 59 HA TYR 59 5.876 10.382 2.661 471 HB2 TYR 59 HB2 TYR 59 5.773 7.548 1.616 472 HB3 TYR 59 HB3 TYR 59 4.831 8.106 2.998 473 HD1 TYR 59 HD1 TYR 59 3.342 10.256 2.618 474 HD2 TYR 59 HD2 TYR 59 4.774 7.673 -0.535 475 HE1 TYR 59 HE1 TYR 59 1.443 10.942 1.200 476 HE2 TYR 59 HE2 TYR 59 2.872 8.391 -1.958 477 HH TYR 59 HH TYR 59 1.176 10.167 -2.199 478 H ASN 60 H ASN 60 8.908 9.140 2.388 479 HA ASN 60 HA ASN 60 10.581 8.500 3.741 480 HB2 ASN 60 HB2 ASN 60 10.140 10.605 4.813 481 HB3 ASN 60 HB3 ASN 60 8.855 9.899 5.793 482 HD21 ASN 60 HD21 ASN 60 11.103 9.396 8.436 483 HD22 ASN 60 HD22 ASN 60 9.517 9.885 7.855 484 H ILE 61 H ILE 61 8.958 6.503 3.023 485 HA ILE 61 HA ILE 61 8.341 4.769 5.323 486 HB ILE 61 HB ILE 61 8.141 4.382 2.301 487 HG12 ILE 61 HG12 ILE 61 5.924 4.930 4.310 488 HG13 ILE 61 HG13 ILE 61 6.617 6.152 3.266 489 HG21 ILE 61 HG21 ILE 61 6.972 2.669 4.548 490 HG22 ILE 61 HG22 ILE 61 6.769 2.391 2.805 491 HG23 ILE 61 HG23 ILE 61 8.356 2.217 3.525 492 HD11 ILE 61 HD11 ILE 61 5.032 3.729 2.350 493 HD12 ILE 61 HD12 ILE 61 4.545 5.427 2.314 494 HD13 ILE 61 HD13 ILE 61 5.865 4.875 1.266 495 H GLN 62 H GLN 62 9.864 3.272 6.081 496 HA GLN 62 HA GLN 62 12.363 2.981 4.499 497 HB2 GLN 62 HB2 GLN 62 11.995 2.362 7.448 498 HB3 GLN 62 HB3 GLN 62 13.493 2.446 6.533 499 HG2 GLN 62 HG2 GLN 62 11.673 4.789 7.239 500 HG3 GLN 62 HG3 GLN 62 13.296 4.462 7.850 501 HE21 GLN 62 HE21 GLN 62 13.031 6.753 4.607 502 HE22 GLN 62 HE22 GLN 62 11.783 6.543 5.829 503 H LYS 63 H LYS 63 13.444 0.768 5.218 504 HA LYS 63 HA LYS 63 11.870 -1.221 3.894 505 HB2 LYS 63 HB2 LYS 63 13.753 -2.689 4.188 506 HB3 LYS 63 HB3 LYS 63 14.391 -1.100 3.811 507 HG2 LYS 63 HG2 LYS 63 14.879 -0.730 6.229 508 HG3 LYS 63 HG3 LYS 63 14.259 -2.355 6.598 509 HD2 LYS 63 HD2 LYS 63 15.991 -3.371 5.176 510 HD3 LYS 63 HD3 LYS 63 16.586 -1.757 4.727 511 HE2 LYS 63 HE2 LYS 63 16.986 -1.318 7.187 512 HE3 LYS 63 HE3 LYS 63 16.588 -3.007 7.521 513 HZ1 LYS 63 HZ1 LYS 63 18.757 -2.048 5.749 514 HZ2 LYS 63 HZ2 LYS 63 19.004 -2.538 7.271 515 HZ3 LYS 63 HZ3 LYS 63 18.502 -3.628 6.140 516 H GLU 64 H GLU 64 11.262 -3.352 4.716 517 HA GLU 64 HA GLU 64 9.905 -4.524 5.988 518 HB2 GLU 64 HB2 GLU 64 12.141 -3.871 7.920 519 HB3 GLU 64 HB3 GLU 64 10.830 -4.994 8.285 520 HG2 GLU 64 HG2 GLU 64 12.565 -6.343 7.486 521 HG3 GLU 64 HG3 GLU 64 11.374 -6.294 6.210 522 H SER 65 H SER 65 8.669 -2.285 5.450 523 HA SER 65 HA SER 65 7.543 -1.107 7.896 524 HB2 SER 65 HB2 SER 65 6.302 0.227 5.973 525 HB3 SER 65 HB3 SER 65 7.912 0.654 6.522 526 HG SER 65 HG SER 65 8.739 0.079 4.708 527 H THR 66 H THR 66 5.096 -1.015 8.044 528 HA THR 66 HA THR 66 3.688 -3.318 6.735 529 HB THR 66 HB THR 66 2.935 -2.365 9.483 530 HG1 THR 66 HG1 THR 66 5.183 -2.818 9.682 531 HG21 THR 66 HG21 THR 66 3.143 -5.139 8.320 532 HG22 THR 66 HG22 THR 66 2.110 -4.596 9.667 533 HG23 THR 66 HG23 THR 66 1.766 -4.094 7.983 534 H LEU 67 H LEU 67 2.226 -2.516 5.430 535 HA LEU 67 HA LEU 67 1.006 0.144 6.021 536 HB2 LEU 67 HB2 LEU 67 1.307 -1.365 3.401 537 HB3 LEU 67 HB3 LEU 67 0.513 0.183 3.619 538 HG LEU 67 HG LEU 67 2.781 1.047 4.541 539 HD11 LEU 67 HD11 LEU 67 3.757 -1.479 3.135 540 HD12 LEU 67 HD12 LEU 67 4.783 -0.057 3.413 541 HD13 LEU 67 HD13 LEU 67 4.149 -0.944 4.777 542 HD21 LEU 67 HD21 LEU 67 3.553 1.587 2.276 543 HD22 LEU 67 HD22 LEU 67 2.570 0.268 1.611 544 HD23 LEU 67 HD23 LEU 67 1.796 1.686 2.371 545 H HIS 68 H HIS 68 -1.277 0.344 5.343 546 HA HIS 68 HA HIS 68 -2.910 -2.116 5.781 547 HB2 HIS 68 HB2 HIS 68 -3.211 0.670 6.942 548 HB3 HIS 68 HB3 HIS 68 -4.569 -0.438 6.810 549 HD1 HIS 68 HD1 HIS 68 -1.568 0.245 9.017 550 HD2 HIS 68 HD2 HIS 68 -4.601 -2.627 8.419 551 HE1 HIS 68 HE1 HIS 68 -1.592 -1.187 11.084 552 H LEU 69 H LEU 69 -5.026 -1.971 4.841 553 HA LEU 69 HA LEU 69 -5.284 -0.186 2.469 554 HB2 LEU 69 HB2 LEU 69 -5.712 -3.157 2.874 555 HB3 LEU 69 HB3 LEU 69 -6.558 -2.337 1.598 556 HG LEU 69 HG LEU 69 -3.529 -2.215 1.886 557 HD11 LEU 69 HD11 LEU 69 -5.223 -4.088 0.185 558 HD12 LEU 69 HD12 LEU 69 -3.454 -3.901 0.064 559 HD13 LEU 69 HD13 LEU 69 -4.167 -4.527 1.545 560 HD21 LEU 69 HD21 LEU 69 -5.287 -1.641 -0.539 561 HD22 LEU 69 HD22 LEU 69 -4.567 -0.392 0.494 562 HD23 LEU 69 HD23 LEU 69 -3.522 -1.469 -0.421 563 H VAL 70 H VAL 70 -7.107 1.066 2.500 564 HA VAL 70 HA VAL 70 -9.433 0.160 4.110 565 HB VAL 70 HB VAL 70 -9.581 2.204 5.335 566 HG11 VAL 70 HG11 VAL 70 -6.648 1.402 5.500 567 HG12 VAL 70 HG12 VAL 70 -7.612 2.243 6.715 568 HG13 VAL 70 HG13 VAL 70 -8.002 0.571 6.303 569 HG21 VAL 70 HG21 VAL 70 -7.233 3.246 3.706 570 HG22 VAL 70 HG22 VAL 70 -8.889 3.881 3.737 571 HG23 VAL 70 HG23 VAL 70 -7.880 4.036 5.168 572 H LEU 71 H LEU 71 -11.350 1.582 3.884 573 HA LEU 71 HA LEU 71 -11.538 3.173 1.434 574 HB2 LEU 71 HB2 LEU 71 -13.361 2.019 0.512 575 HB3 LEU 71 HB3 LEU 71 -12.078 0.856 0.727 576 HG LEU 71 HG LEU 71 -14.404 1.099 2.694 577 HD11 LEU 71 HD11 LEU 71 -14.141 -0.676 0.244 578 HD12 LEU 71 HD12 LEU 71 -15.421 -0.791 1.468 579 HD13 LEU 71 HD13 LEU 71 -15.293 0.653 0.462 580 HD21 LEU 71 HD21 LEU 71 -12.386 -1.115 2.129 581 HD22 LEU 71 HD22 LEU 71 -12.548 -0.188 3.634 582 HD23 LEU 71 HD23 LEU 71 -13.818 -1.308 3.153 583 H ARG 72 H ARG 72 -14.215 3.756 1.458 584 HA ARG 72 HA ARG 72 -15.279 4.217 4.112 585 HB2 ARG 72 HB2 ARG 72 -13.709 6.096 4.020 586 HB3 ARG 72 HB3 ARG 72 -14.185 6.440 2.365 587 HG2 ARG 72 HG2 ARG 72 -15.105 8.158 3.522 588 HG3 ARG 72 HG3 ARG 72 -16.479 7.107 3.249 589 HD2 ARG 72 HD2 ARG 72 -14.910 7.330 5.859 590 HD3 ARG 72 HD3 ARG 72 -16.366 8.233 5.487 591 HE ARG 72 HE ARG 72 -17.702 6.368 5.751 592 HH11 ARG 72 HH11 ARG 72 -14.333 5.587 6.665 593 HH12 ARG 72 HH12 ARG 72 -14.765 4.018 7.234 594 HH21 ARG 72 HH21 ARG 72 -18.222 4.430 6.593 595 HH22 ARG 72 HH22 ARG 72 -17.053 3.298 7.176 596 H LEU 73 H LEU 73 -17.509 3.983 3.724 597 HA LEU 73 HA LEU 73 -18.680 4.826 1.164 598 HB2 LEU 73 HB2 LEU 73 -18.747 2.000 2.331 599 HB3 LEU 73 HB3 LEU 73 -19.904 2.573 1.151 600 HG LEU 73 HG LEU 73 -16.905 2.368 0.687 601 HD11 LEU 73 HD11 LEU 73 -17.451 0.464 -0.768 602 HD12 LEU 73 HD12 LEU 73 -17.977 0.168 0.892 603 HD13 LEU 73 HD13 LEU 73 -19.169 0.618 -0.340 604 HD21 LEU 73 HD21 LEU 73 -19.137 3.019 -1.290 605 HD22 LEU 73 HD22 LEU 73 -17.881 4.142 -0.735 606 HD23 LEU 73 HD23 LEU 73 -17.430 2.747 -1.694 607 H ARG 74 H ARG 74 -20.799 5.455 1.502 608 HA ARG 74 HA ARG 74 -21.659 5.560 4.366 609 HB2 ARG 74 HB2 ARG 74 -22.637 7.319 2.105 610 HB3 ARG 74 HB3 ARG 74 -22.958 7.528 3.812 611 HG2 ARG 74 HG2 ARG 74 -20.192 7.757 2.504 612 HG3 ARG 74 HG3 ARG 74 -21.254 9.105 2.809 613 HD2 ARG 74 HD2 ARG 74 -20.151 7.303 4.981 614 HD3 ARG 74 HD3 ARG 74 -19.447 8.823 4.494 615 HE ARG 74 HE ARG 74 -21.206 10.048 5.353 616 HH11 ARG 74 HH11 ARG 74 -21.304 6.674 6.392 617 HH12 ARG 74 HH12 ARG 74 -22.817 6.800 7.245 618 HH21 ARG 74 HH21 ARG 74 -23.138 10.305 6.714 619 HH22 ARG 74 HH22 ARG 74 -23.574 8.990 7.743 620 H GLY 75 H GLY 75 -22.369 4.103 1.323 621 HA2 GLY 75 HA2 GLY 75 -25.190 3.590 1.850 622 HA3 GLY 75 HA3 GLY 75 -24.210 3.023 0.493 623 H GLY 76 H GLY 76 -22.919 2.544 3.765 624 HA2 GLY 76 HA2 GLY 76 -23.964 0.216 4.682 625 HA3 GLY 76 HA3 GLY 76 -22.800 -0.322 3.460 Start of MODEL 17 1 H1 MET 1 H MET 1 14.870 -5.097 -1.146 2 HA MET 1 HA MET 1 14.247 -4.507 1.688 3 HB2 MET 1 HB2 MET 1 14.865 -2.465 0.736 4 HB3 MET 1 HB3 MET 1 14.042 -2.800 -0.797 5 HG2 MET 1 HG2 MET 1 11.851 -2.619 0.341 6 HG3 MET 1 HG3 MET 1 12.655 -2.283 1.872 7 HE1 MET 1 HE1 MET 1 13.531 0.309 2.492 8 HE2 MET 1 HE2 MET 1 14.811 -0.371 1.458 9 HE3 MET 1 HE3 MET 1 14.192 1.255 1.150 10 H GLN 2 H GLN 2 12.332 -5.346 2.427 11 HA GLN 2 HA GLN 2 10.228 -5.844 0.454 12 HB2 GLN 2 HB2 GLN 2 9.511 -7.817 1.543 13 HB3 GLN 2 HB3 GLN 2 11.171 -8.020 0.987 14 HG2 GLN 2 HG2 GLN 2 12.025 -7.847 3.244 15 HG3 GLN 2 HG3 GLN 2 10.455 -7.320 3.869 16 HE21 GLN 2 HE21 GLN 2 9.446 -10.658 4.482 17 HE22 GLN 2 HE22 GLN 2 9.267 -8.964 4.900 18 H ILE 3 H ILE 3 8.040 -5.634 1.464 19 HA ILE 3 HA ILE 3 7.959 -4.251 4.063 20 HB ILE 3 HB ILE 3 6.368 -2.591 3.285 21 HG12 ILE 3 HG12 ILE 3 6.960 -3.517 0.442 22 HG13 ILE 3 HG13 ILE 3 5.455 -3.720 1.324 23 HG21 ILE 3 HG21 ILE 3 7.934 -1.003 2.391 24 HG22 ILE 3 HG22 ILE 3 8.769 -2.058 3.526 25 HG23 ILE 3 HG23 ILE 3 9.010 -2.283 1.803 26 HD11 ILE 3 HD11 ILE 3 5.217 -1.883 -0.206 27 HD12 ILE 3 HD12 ILE 3 5.193 -1.242 1.444 28 HD13 ILE 3 HD13 ILE 3 6.653 -1.074 0.440 29 H PHE 4 H PHE 4 5.571 -4.215 4.797 30 HA PHE 4 HA PHE 4 4.239 -6.653 3.790 31 HB2 PHE 4 HB2 PHE 4 4.289 -5.582 6.620 32 HB3 PHE 4 HB3 PHE 4 3.448 -7.023 6.071 33 HD1 PHE 4 HD1 PHE 4 4.786 -9.036 5.269 34 HD2 PHE 4 HD2 PHE 4 6.621 -5.640 7.209 35 HE1 PHE 4 HE1 PHE 4 6.760 -10.418 5.839 36 HE2 PHE 4 HE2 PHE 4 8.603 -7.016 7.741 37 HZ PHE 4 HZ PHE 4 8.664 -9.422 7.106 38 H VAL 5 H VAL 5 1.926 -6.530 3.731 39 HA VAL 5 HA VAL 5 0.730 -3.896 4.323 40 HB VAL 5 HB VAL 5 0.068 -5.269 1.708 41 HG11 VAL 5 HG11 VAL 5 -1.507 -3.611 2.632 42 HG12 VAL 5 HG12 VAL 5 -0.212 -2.411 2.747 43 HG13 VAL 5 HG13 VAL 5 -0.736 -2.996 1.157 44 HG21 VAL 5 HG21 VAL 5 1.481 -3.619 0.517 45 HG22 VAL 5 HG22 VAL 5 2.190 -3.106 2.066 46 HG23 VAL 5 HG23 VAL 5 2.450 -4.755 1.453 47 H LYS 6 H LYS 6 -1.095 -4.147 5.471 48 HA LYS 6 HA LYS 6 -2.297 -6.860 5.701 49 HB2 LYS 6 HB2 LYS 6 -1.674 -5.560 7.754 50 HB3 LYS 6 HB3 LYS 6 -2.837 -4.325 7.289 51 HG2 LYS 6 HG2 LYS 6 -3.991 -5.612 8.866 52 HG3 LYS 6 HG3 LYS 6 -4.640 -6.164 7.341 53 HD2 LYS 6 HD2 LYS 6 -4.305 -8.136 8.646 54 HD3 LYS 6 HD3 LYS 6 -2.995 -8.110 7.482 55 HE2 LYS 6 HE2 LYS 6 -1.962 -8.737 9.458 56 HE3 LYS 6 HE3 LYS 6 -1.525 -7.049 9.224 57 HZ1 LYS 6 HZ1 LYS 6 -3.607 -8.057 11.049 58 HZ2 LYS 6 HZ2 LYS 6 -2.125 -7.528 11.475 59 HZ3 LYS 6 HZ3 LYS 6 -3.249 -6.466 10.857 60 H THR 7 H THR 7 -4.092 -7.352 4.411 61 HA THR 7 HA THR 7 -5.498 -5.194 2.996 62 HB THR 7 HB THR 7 -6.710 -7.179 1.997 63 HG1 THR 7 HG1 THR 7 -6.408 -9.081 2.816 64 HG21 THR 7 HG21 THR 7 -4.732 -6.315 0.835 65 HG22 THR 7 HG22 THR 7 -3.671 -7.301 1.863 66 HG23 THR 7 HG23 THR 7 -4.788 -8.079 0.724 67 H LEU 8 H LEU 8 -7.972 -5.243 2.953 68 HA LEU 8 HA LEU 8 -9.030 -5.172 5.612 69 HB2 LEU 8 HB2 LEU 8 -11.031 -4.449 4.711 70 HB3 LEU 8 HB3 LEU 8 -9.812 -3.697 3.743 71 HG LEU 8 HG LEU 8 -11.673 -6.011 3.033 72 HD11 LEU 8 HD11 LEU 8 -12.587 -3.710 2.964 73 HD12 LEU 8 HD12 LEU 8 -11.303 -3.230 1.843 74 HD13 LEU 8 HD13 LEU 8 -12.515 -4.415 1.339 75 HD21 LEU 8 HD21 LEU 8 -9.683 -4.883 1.033 76 HD22 LEU 8 HD22 LEU 8 -9.443 -6.419 1.880 77 HD23 LEU 8 HD23 LEU 8 -10.835 -6.198 0.822 78 H THR 9 H THR 9 -8.311 -7.862 3.818 79 HA THR 9 HA THR 9 -10.653 -9.465 4.608 80 HB THR 9 HB THR 9 -9.485 -11.204 3.251 81 HG1 THR 9 HG1 THR 9 -7.778 -10.740 2.074 82 HG21 THR 9 HG21 THR 9 -9.866 -10.195 1.070 83 HG22 THR 9 HG22 THR 9 -11.117 -9.623 2.204 84 HG23 THR 9 HG23 THR 9 -9.771 -8.568 1.740 85 H GLY 10 H GLY 10 -7.570 -8.469 5.766 86 HA2 GLY 10 HA2 GLY 10 -6.788 -8.853 7.885 87 HA3 GLY 10 HA3 GLY 10 -7.622 -10.411 7.942 88 H LYS 11 H LYS 11 -6.030 -10.142 4.911 89 HA LYS 11 HA LYS 11 -4.064 -12.114 5.804 90 HB2 LYS 11 HB2 LYS 11 -4.295 -10.606 3.146 91 HB3 LYS 11 HB3 LYS 11 -3.296 -11.993 3.399 92 HG2 LYS 11 HG2 LYS 11 -6.320 -12.108 3.649 93 HG3 LYS 11 HG3 LYS 11 -5.457 -12.278 2.124 94 HD2 LYS 11 HD2 LYS 11 -5.151 -14.086 4.525 95 HD3 LYS 11 HD3 LYS 11 -6.070 -14.438 3.066 96 HE2 LYS 11 HE2 LYS 11 -3.049 -14.006 3.154 97 HE3 LYS 11 HE3 LYS 11 -3.853 -15.576 3.142 98 HZ1 LYS 11 HZ1 LYS 11 -4.112 -13.586 0.941 99 HZ2 LYS 11 HZ2 LYS 11 -3.129 -14.892 0.939 100 HZ3 LYS 11 HZ3 LYS 11 -4.740 -15.098 0.988 101 H THR 12 H THR 12 -1.764 -11.863 5.352 102 HA THR 12 HA THR 12 -0.770 -9.063 5.516 103 HB THR 12 HB THR 12 0.848 -11.551 6.138 104 HG1 THR 12 HG1 THR 12 0.284 -11.607 8.128 105 HG21 THR 12 HG21 THR 12 2.052 -9.980 7.628 106 HG22 THR 12 HG22 THR 12 1.961 -9.316 5.983 107 HG23 THR 12 HG23 THR 12 0.876 -8.702 7.245 108 H ILE 13 H ILE 13 0.448 -8.447 3.743 109 HA ILE 13 HA ILE 13 1.023 -10.460 1.623 110 HB ILE 13 HB ILE 13 0.541 -7.482 1.284 111 HG12 ILE 13 HG12 ILE 13 -1.568 -8.397 2.172 112 HG13 ILE 13 HG13 ILE 13 -1.698 -7.820 0.546 113 HG21 ILE 13 HG21 ILE 13 1.763 -8.451 -0.562 114 HG22 ILE 13 HG22 ILE 13 0.607 -9.784 -0.704 115 HG23 ILE 13 HG23 ILE 13 0.110 -8.125 -1.102 116 HD11 ILE 13 HD11 ILE 13 -1.443 -10.759 1.342 117 HD12 ILE 13 HD12 ILE 13 -2.949 -9.923 0.934 118 HD13 ILE 13 HD13 ILE 13 -1.701 -10.139 -0.305 119 H THR 14 H THR 14 3.143 -10.247 0.715 120 HA THR 14 HA THR 14 5.009 -8.377 2.083 121 HB THR 14 HB THR 14 5.697 -11.150 1.051 122 HG1 THR 14 HG1 THR 14 5.373 -11.979 2.919 123 HG21 THR 14 HG21 THR 14 7.109 -9.265 2.995 124 HG22 THR 14 HG22 THR 14 7.662 -10.894 2.541 125 HG23 THR 14 HG23 THR 14 7.607 -9.611 1.321 126 H LEU 15 H LEU 15 6.160 -7.107 0.596 127 HA LEU 15 HA LEU 15 6.304 -7.986 -2.244 128 HB2 LEU 15 HB2 LEU 15 5.278 -5.295 -1.239 129 HB3 LEU 15 HB3 LEU 15 5.815 -5.582 -2.889 130 HG LEU 15 HG LEU 15 3.452 -6.983 -1.565 131 HD11 LEU 15 HD11 LEU 15 2.166 -5.578 -3.205 132 HD12 LEU 15 HD12 LEU 15 2.972 -4.642 -1.935 133 HD13 LEU 15 HD13 LEU 15 3.664 -4.698 -3.568 134 HD21 LEU 15 HD21 LEU 15 4.559 -7.101 -4.409 135 HD22 LEU 15 HD22 LEU 15 4.394 -8.447 -3.279 136 HD23 LEU 15 HD23 LEU 15 2.947 -7.691 -3.934 137 H GLU 16 H GLU 16 8.147 -7.346 -3.265 138 HA GLU 16 HA GLU 16 10.292 -6.084 -1.681 139 HB2 GLU 16 HB2 GLU 16 10.528 -8.350 -2.634 140 HB3 GLU 16 HB3 GLU 16 10.198 -7.710 -4.245 141 HG2 GLU 16 HG2 GLU 16 12.314 -6.494 -4.243 142 HG3 GLU 16 HG3 GLU 16 12.637 -7.006 -2.569 143 H VAL 17 H VAL 17 10.232 -3.840 -1.936 144 HA VAL 17 HA VAL 17 10.078 -2.762 -4.687 145 HB VAL 17 HB VAL 17 8.441 -1.222 -4.318 146 HG11 VAL 17 HG11 VAL 17 7.488 -3.529 -4.387 147 HG12 VAL 17 HG12 VAL 17 7.405 -3.532 -2.614 148 HG13 VAL 17 HG13 VAL 17 6.445 -2.376 -3.540 149 HG21 VAL 17 HG21 VAL 17 9.025 -0.153 -2.266 150 HG22 VAL 17 HG22 VAL 17 7.348 -0.675 -2.148 151 HG23 VAL 17 HG23 VAL 17 8.615 -1.583 -1.308 152 H GLU 18 H GLU 18 10.550 0.065 -4.104 153 HA GLU 18 HA GLU 18 12.881 0.009 -2.361 154 HB2 GLU 18 HB2 GLU 18 14.421 0.686 -4.076 155 HB3 GLU 18 HB3 GLU 18 13.656 -0.806 -4.586 156 HG2 GLU 18 HG2 GLU 18 12.120 0.463 -6.059 157 HG3 GLU 18 HG3 GLU 18 12.896 1.981 -5.573 158 HA PRO 19 HA PRO 19 11.914 4.063 -1.308 159 HB2 PRO 19 HB2 PRO 19 14.593 5.064 -2.294 160 HB3 PRO 19 HB3 PRO 19 13.790 5.371 -0.719 161 HG2 PRO 19 HG2 PRO 19 15.782 3.555 -0.914 162 HG3 PRO 19 HG3 PRO 19 14.326 3.185 0.056 163 HD2 PRO 19 HD2 PRO 19 14.982 2.309 -2.760 164 HD3 PRO 19 HD3 PRO 19 14.315 1.340 -1.419 165 H SER 20 H SER 20 13.114 3.705 -4.631 166 HA SER 20 HA SER 20 11.693 6.223 -5.343 167 HB2 SER 20 HB2 SER 20 13.880 4.815 -6.881 168 HB3 SER 20 HB3 SER 20 13.216 6.437 -7.166 169 HG SER 20 HG SER 20 14.012 7.061 -5.119 170 H ASP 21 H ASP 21 10.356 3.556 -4.958 171 HA ASP 21 HA ASP 21 9.431 3.195 -7.781 172 HB2 ASP 21 HB2 ASP 21 10.104 1.106 -6.503 173 HB3 ASP 21 HB3 ASP 21 8.690 1.378 -5.464 174 H THR 22 H THR 22 7.283 3.781 -8.223 175 HA THR 22 HA THR 22 6.174 5.692 -6.287 176 HB THR 22 HB THR 22 4.442 6.047 -8.068 177 HG1 THR 22 HG1 THR 22 6.071 4.503 -9.775 178 HG21 THR 22 HG21 THR 22 7.330 6.284 -9.019 179 HG22 THR 22 HG22 THR 22 5.927 7.156 -9.672 180 HG23 THR 22 HG23 THR 22 6.449 7.456 -8.010 181 H ILE 23 H ILE 23 4.011 5.673 -5.508 182 HA ILE 23 HA ILE 23 3.204 3.115 -4.523 183 HB ILE 23 HB ILE 23 1.707 5.732 -4.527 184 HG12 ILE 23 HG12 ILE 23 3.676 5.980 -3.235 185 HG13 ILE 23 HG13 ILE 23 2.326 5.780 -2.123 186 HG21 ILE 23 HG21 ILE 23 0.017 4.043 -4.229 187 HG22 ILE 23 HG22 ILE 23 1.012 3.170 -3.048 188 HG23 ILE 23 HG23 ILE 23 0.332 4.772 -2.660 189 HD11 ILE 23 HD11 ILE 23 4.457 3.717 -2.779 190 HD12 ILE 23 HD12 ILE 23 4.214 4.584 -1.258 191 HD13 ILE 23 HD13 ILE 23 3.019 3.382 -1.786 192 H GLU 24 H GLU 24 2.449 4.666 -7.579 193 HA GLU 24 HA GLU 24 0.026 3.375 -8.197 194 HB2 GLU 24 HB2 GLU 24 1.234 5.190 -9.542 195 HB3 GLU 24 HB3 GLU 24 2.315 3.935 -10.115 196 HG2 GLU 24 HG2 GLU 24 0.721 4.213 -11.831 197 HG3 GLU 24 HG3 GLU 24 0.261 2.710 -11.037 198 H ASN 25 H ASN 25 3.395 2.250 -8.312 199 HA ASN 25 HA ASN 25 2.817 -0.324 -9.537 200 HB2 ASN 25 HB2 ASN 25 5.265 0.915 -8.227 201 HB3 ASN 25 HB3 ASN 25 5.206 -0.795 -8.631 202 HD21 ASN 25 HD21 ASN 25 6.288 1.630 -11.550 203 HD22 ASN 25 HD22 ASN 25 6.700 1.665 -9.830 204 H VAL 26 H VAL 26 3.753 0.752 -6.236 205 HA VAL 26 HA VAL 26 3.574 -1.733 -4.977 206 HB VAL 26 HB VAL 26 2.747 0.923 -3.728 207 HG11 VAL 26 HG11 VAL 26 2.257 -1.007 -2.272 208 HG12 VAL 26 HG12 VAL 26 3.913 -1.606 -2.484 209 HG13 VAL 26 HG13 VAL 26 3.612 -0.082 -1.622 210 HG21 VAL 26 HG21 VAL 26 5.550 -0.255 -3.881 211 HG22 VAL 26 HG22 VAL 26 4.999 1.152 -4.787 212 HG23 VAL 26 HG23 VAL 26 5.060 1.228 -3.033 213 H LYS 27 H LYS 27 0.892 0.600 -5.565 214 HA LYS 27 HA LYS 27 -1.054 -1.033 -4.211 215 HB2 LYS 27 HB2 LYS 27 -0.993 1.502 -4.507 216 HB3 LYS 27 HB3 LYS 27 -1.575 1.228 -6.148 217 HG2 LYS 27 HG2 LYS 27 -3.617 0.141 -5.196 218 HG3 LYS 27 HG3 LYS 27 -2.959 0.348 -3.570 219 HD2 LYS 27 HD2 LYS 27 -4.580 2.068 -3.918 220 HD3 LYS 27 HD3 LYS 27 -2.981 2.839 -3.942 221 HE2 LYS 27 HE2 LYS 27 -3.025 2.896 -6.413 222 HE3 LYS 27 HE3 LYS 27 -4.539 2.002 -6.418 223 HZ1 LYS 27 HZ1 LYS 27 -5.670 3.854 -5.460 224 HZ2 LYS 27 HZ2 LYS 27 -4.292 4.707 -5.252 225 HZ3 LYS 27 HZ3 LYS 27 -4.847 4.377 -6.758 226 H ALA 28 H ALA 28 0.381 -1.319 -7.327 227 HA ALA 28 HA ALA 28 -1.926 -2.766 -8.494 228 HB1 ALA 28 HB1 ALA 28 0.841 -2.187 -9.650 229 HB2 ALA 28 HB2 ALA 28 -0.549 -2.899 -10.498 230 HB3 ALA 28 HB3 ALA 28 -0.630 -1.224 -9.928 231 H LYS 29 H LYS 29 1.451 -3.317 -7.433 232 HA LYS 29 HA LYS 29 1.659 -6.046 -7.939 233 HB2 LYS 29 HB2 LYS 29 2.846 -4.345 -5.715 234 HB3 LYS 29 HB3 LYS 29 3.248 -6.049 -5.943 235 HG2 LYS 29 HG2 LYS 29 4.014 -5.534 -8.279 236 HG3 LYS 29 HG3 LYS 29 3.779 -3.811 -7.928 237 HD2 LYS 29 HD2 LYS 29 5.311 -4.146 -5.912 238 HD3 LYS 29 HD3 LYS 29 5.670 -5.760 -6.525 239 HE2 LYS 29 HE2 LYS 29 6.231 -3.112 -7.955 240 HE3 LYS 29 HE3 LYS 29 7.402 -4.108 -7.086 241 HZ1 LYS 29 HZ1 LYS 29 6.668 -5.899 -8.761 242 HZ2 LYS 29 HZ2 LYS 29 6.228 -4.594 -9.701 243 HZ3 LYS 29 HZ3 LYS 29 7.766 -4.779 -9.152 244 H ILE 30 H ILE 30 0.078 -4.501 -5.128 245 HA ILE 30 HA ILE 30 -0.336 -6.910 -3.645 246 HB ILE 30 HB ILE 30 -2.196 -5.619 -2.541 247 HG12 ILE 30 HG12 ILE 30 -1.326 -3.357 -4.349 248 HG13 ILE 30 HG13 ILE 30 -2.830 -4.261 -4.554 249 HG21 ILE 30 HG21 ILE 30 -0.724 -4.118 -1.364 250 HG22 ILE 30 HG22 ILE 30 0.170 -5.580 -1.765 251 HG23 ILE 30 HG23 ILE 30 0.423 -4.090 -2.712 252 HD11 ILE 30 HD11 ILE 30 -3.577 -3.507 -2.313 253 HD12 ILE 30 HD12 ILE 30 -2.112 -2.487 -2.210 254 HD13 ILE 30 HD13 ILE 30 -3.325 -2.189 -3.465 255 H GLN 31 H GLN 31 -2.098 -5.601 -6.485 256 HA GLN 31 HA GLN 31 -4.389 -7.319 -6.140 257 HB2 GLN 31 HB2 GLN 31 -3.468 -6.065 -8.743 258 HB3 GLN 31 HB3 GLN 31 -5.100 -6.454 -8.218 259 HG2 GLN 31 HG2 GLN 31 -4.889 -4.650 -6.442 260 HG3 GLN 31 HG3 GLN 31 -3.323 -4.216 -7.135 261 HE21 GLN 31 HE21 GLN 31 -6.812 -3.264 -9.078 262 HE22 GLN 31 HE22 GLN 31 -6.746 -4.465 -7.788 263 H ASP 32 H ASP 32 -1.180 -7.676 -7.505 264 HA ASP 32 HA ASP 32 -1.842 -10.055 -9.128 265 HB2 ASP 32 HB2 ASP 32 -0.037 -8.954 -10.028 266 HB3 ASP 32 HB3 ASP 32 0.632 -8.500 -8.470 267 H LYS 33 H LYS 33 -0.972 -9.282 -5.831 268 HA LYS 33 HA LYS 33 -0.439 -12.085 -5.097 269 HB2 LYS 33 HB2 LYS 33 -0.225 -9.389 -3.718 270 HB3 LYS 33 HB3 LYS 33 -0.187 -10.861 -2.767 271 HG2 LYS 33 HG2 LYS 33 1.730 -10.338 -5.075 272 HG3 LYS 33 HG3 LYS 33 2.069 -9.962 -3.372 273 HD2 LYS 33 HD2 LYS 33 1.589 -12.385 -2.833 274 HD3 LYS 33 HD3 LYS 33 1.547 -12.708 -4.573 275 HE2 LYS 33 HE2 LYS 33 3.877 -11.968 -4.803 276 HE3 LYS 33 HE3 LYS 33 3.929 -11.547 -3.076 277 HZ1 LYS 33 HZ1 LYS 33 3.378 -13.915 -2.627 278 HZ2 LYS 33 HZ2 LYS 33 3.492 -14.237 -4.205 279 HZ3 LYS 33 HZ3 LYS 33 4.837 -13.776 -3.400 280 H GLU 34 H GLU 34 -3.297 -9.967 -4.966 281 HA GLU 34 HA GLU 34 -4.715 -12.132 -3.589 282 HB2 GLU 34 HB2 GLU 34 -3.660 -10.323 -1.941 283 HB3 GLU 34 HB3 GLU 34 -4.942 -9.296 -2.542 284 HG2 GLU 34 HG2 GLU 34 -5.779 -10.174 -0.556 285 HG3 GLU 34 HG3 GLU 34 -6.573 -11.149 -1.787 286 H GLY 35 H GLY 35 -7.139 -11.734 -3.755 287 HA2 GLY 35 HA2 GLY 35 -7.855 -10.635 -6.337 288 HA3 GLY 35 HA3 GLY 35 -8.888 -11.457 -5.177 289 H ILE 36 H ILE 36 -7.260 -8.299 -5.763 290 HA ILE 36 HA ILE 36 -9.614 -6.951 -4.548 291 HB ILE 36 HB ILE 36 -8.048 -5.299 -3.507 292 HG12 ILE 36 HG12 ILE 36 -5.977 -7.536 -3.810 293 HG13 ILE 36 HG13 ILE 36 -5.919 -5.990 -4.642 294 HG21 ILE 36 HG21 ILE 36 -7.975 -8.124 -2.355 295 HG22 ILE 36 HG22 ILE 36 -7.942 -6.594 -1.460 296 HG23 ILE 36 HG23 ILE 36 -9.398 -7.067 -2.328 297 HD11 ILE 36 HD11 ILE 36 -4.427 -5.897 -2.796 298 HD12 ILE 36 HD12 ILE 36 -5.796 -4.828 -2.433 299 HD13 ILE 36 HD13 ILE 36 -5.658 -6.431 -1.653 300 HA PRO 37 HA PRO 37 -9.115 -4.964 -8.595 301 HB2 PRO 37 HB2 PRO 37 -11.622 -3.533 -7.794 302 HB3 PRO 37 HB3 PRO 37 -11.298 -4.482 -9.276 303 HG2 PRO 37 HG2 PRO 37 -12.913 -5.438 -7.294 304 HG3 PRO 37 HG3 PRO 37 -11.781 -6.517 -8.175 305 HD2 PRO 37 HD2 PRO 37 -11.374 -5.186 -5.474 306 HD3 PRO 37 HD3 PRO 37 -11.104 -6.889 -5.962 307 HA PRO 38 HA PRO 38 -7.806 -0.914 -6.997 308 HB2 PRO 38 HB2 PRO 38 -7.380 0.532 -9.228 309 HB3 PRO 38 HB3 PRO 38 -6.574 -1.056 -9.071 310 HG2 PRO 38 HG2 PRO 38 -9.113 -0.419 -10.578 311 HG3 PRO 38 HG3 PRO 38 -7.689 -1.333 -11.153 312 HD2 PRO 38 HD2 PRO 38 -9.986 -2.492 -10.047 313 HD3 PRO 38 HD3 PRO 38 -8.378 -3.269 -10.043 314 H ASP 39 H ASP 39 -10.340 -1.300 -6.346 315 HA ASP 39 HA ASP 39 -11.689 1.305 -6.623 316 HB2 ASP 39 HB2 ASP 39 -12.807 -0.093 -8.299 317 HB3 ASP 39 HB3 ASP 39 -12.938 -1.420 -7.136 318 H GLN 40 H GLN 40 -12.503 1.852 -4.704 319 HA GLN 40 HA GLN 40 -12.554 1.996 -2.441 320 HB2 GLN 40 HB2 GLN 40 -13.674 -0.815 -2.550 321 HB3 GLN 40 HB3 GLN 40 -13.875 0.386 -1.277 322 HG2 GLN 40 HG2 GLN 40 -15.076 0.372 -4.029 323 HG3 GLN 40 HG3 GLN 40 -15.914 0.289 -2.490 324 HE21 GLN 40 HE21 GLN 40 -15.688 3.807 -4.299 325 HE22 GLN 40 HE22 GLN 40 -15.454 2.230 -5.038 326 H ASN 41 H ASN 41 -10.017 1.646 -3.222 327 HA ASN 41 HA ASN 41 -8.961 0.232 -0.938 328 HB2 ASN 41 HB2 ASN 41 -8.377 -0.569 -3.815 329 HB3 ASN 41 HB3 ASN 41 -7.096 -0.674 -2.623 330 HD21 ASN 41 HD21 ASN 41 -10.103 -3.452 -2.519 331 HD22 ASN 41 HD22 ASN 41 -10.220 -2.086 -3.595 332 H ARG 42 H ARG 42 -7.258 1.368 -0.086 333 HA ARG 42 HA ARG 42 -5.654 3.250 -1.659 334 HB2 ARG 42 HB2 ARG 42 -7.639 4.576 -0.988 335 HB3 ARG 42 HB3 ARG 42 -7.363 4.151 0.714 336 HG2 ARG 42 HG2 ARG 42 -5.204 5.384 0.637 337 HG3 ARG 42 HG3 ARG 42 -5.497 5.795 -1.061 338 HD2 ARG 42 HD2 ARG 42 -7.392 6.560 1.198 339 HD3 ARG 42 HD3 ARG 42 -6.070 7.588 0.651 340 HE ARG 42 HE ARG 42 -8.516 6.860 -0.885 341 HH11 ARG 42 HH11 ARG 42 -5.765 9.083 -0.613 342 HH12 ARG 42 HH12 ARG 42 -5.926 9.710 -2.219 343 HH21 ARG 42 HH21 ARG 42 -8.965 7.890 -2.767 344 HH22 ARG 42 HH22 ARG 42 -7.974 9.162 -3.420 345 H LEU 43 H LEU 43 -3.637 3.304 -0.783 346 HA LEU 43 HA LEU 43 -3.018 1.401 1.356 347 HB2 LEU 43 HB2 LEU 43 -1.841 1.626 -0.893 348 HB3 LEU 43 HB3 LEU 43 -1.280 3.212 -0.376 349 HG LEU 43 HG LEU 43 -0.076 2.078 1.540 350 HD11 LEU 43 HD11 LEU 43 -1.322 -0.036 1.678 351 HD12 LEU 43 HD12 LEU 43 -0.824 -0.458 0.022 352 HD13 LEU 43 HD13 LEU 43 0.379 -0.356 1.322 353 HD21 LEU 43 HD21 LEU 43 1.753 1.237 0.051 354 HD22 LEU 43 HD22 LEU 43 0.617 1.222 -1.313 355 HD23 LEU 43 HD23 LEU 43 1.063 2.755 -0.534 356 H ILE 44 H ILE 44 -2.240 1.949 3.382 357 HA ILE 44 HA ILE 44 -1.923 4.813 4.116 358 HB ILE 44 HB ILE 44 -3.173 2.655 5.847 359 HG12 ILE 44 HG12 ILE 44 -4.707 2.771 3.948 360 HG13 ILE 44 HG13 ILE 44 -5.401 3.333 5.443 361 HG21 ILE 44 HG21 ILE 44 -4.140 4.549 7.120 362 HG22 ILE 44 HG22 ILE 44 -2.371 4.637 7.039 363 HG23 ILE 44 HG23 ILE 44 -3.378 5.681 6.018 364 HD11 ILE 44 HD11 ILE 44 -6.056 4.685 3.430 365 HD12 ILE 44 HD12 ILE 44 -5.350 5.635 4.742 366 HD13 ILE 44 HD13 ILE 44 -4.390 5.241 3.301 367 H PHE 45 H PHE 45 -0.235 5.142 5.696 368 HA PHE 45 HA PHE 45 1.255 2.745 6.667 369 HB2 PHE 45 HB2 PHE 45 2.558 3.528 4.814 370 HB3 PHE 45 HB3 PHE 45 2.384 5.209 5.316 371 HD1 PHE 45 HD1 PHE 45 3.542 1.971 6.956 372 HD2 PHE 45 HD2 PHE 45 4.335 6.155 6.176 373 HE1 PHE 45 HE1 PHE 45 5.621 1.842 8.283 374 HE2 PHE 45 HE2 PHE 45 6.426 5.989 7.479 375 HZ PHE 45 HZ PHE 45 7.075 3.841 8.539 376 H ALA 46 H ALA 46 1.239 2.820 8.830 377 HA ALA 46 HA ALA 46 0.914 3.553 10.955 378 HB1 ALA 46 HB1 ALA 46 2.689 5.850 10.043 379 HB2 ALA 46 HB2 ALA 46 2.439 5.291 11.708 380 HB3 ALA 46 HB3 ALA 46 3.256 4.240 10.534 381 H GLY 47 H GLY 47 -1.254 4.122 9.332 382 HA2 GLY 47 HA2 GLY 47 -3.278 5.227 9.607 383 HA3 GLY 47 HA3 GLY 47 -2.528 6.283 10.801 384 H LYS 48 H LYS 48 -0.390 6.891 8.415 385 HA LYS 48 HA LYS 48 -1.888 9.257 7.508 386 HB2 LYS 48 HB2 LYS 48 0.456 9.534 8.094 387 HB3 LYS 48 HB3 LYS 48 0.948 8.289 6.926 388 HG2 LYS 48 HG2 LYS 48 0.344 9.599 5.059 389 HG3 LYS 48 HG3 LYS 48 -0.626 10.722 6.012 390 HD2 LYS 48 HD2 LYS 48 2.381 10.480 6.370 391 HD3 LYS 48 HD3 LYS 48 1.625 11.526 5.155 392 HE2 LYS 48 HE2 LYS 48 0.390 12.757 6.867 393 HE3 LYS 48 HE3 LYS 48 1.046 11.712 8.141 394 HZ1 LYS 48 HZ1 LYS 48 3.239 12.512 7.589 395 HZ2 LYS 48 HZ2 LYS 48 2.637 13.495 6.398 396 HZ3 LYS 48 HZ3 LYS 48 2.272 13.788 7.954 397 H GLN 49 H GLN 49 -2.937 9.385 5.613 398 HA GLN 49 HA GLN 49 -3.310 6.982 4.041 399 HB2 GLN 49 HB2 GLN 49 -4.283 9.769 3.362 400 HB3 GLN 49 HB3 GLN 49 -4.946 8.224 2.849 401 HG2 GLN 49 HG2 GLN 49 -6.498 8.910 4.429 402 HG3 GLN 49 HG3 GLN 49 -5.487 7.814 5.366 403 HE21 GLN 49 HE21 GLN 49 -5.410 10.454 7.785 404 HE22 GLN 49 HE22 GLN 49 -5.793 8.766 7.466 405 H LEU 50 H LEU 50 -2.464 6.514 1.985 406 HA LEU 50 HA LEU 50 -0.501 8.410 0.833 407 HB2 LEU 50 HB2 LEU 50 -0.380 5.407 0.527 408 HB3 LEU 50 HB3 LEU 50 0.866 6.596 0.206 409 HG LEU 50 HG LEU 50 -0.077 5.653 2.953 410 HD11 LEU 50 HD11 LEU 50 2.218 4.621 2.952 411 HD12 LEU 50 HD12 LEU 50 1.148 3.962 1.709 412 HD13 LEU 50 HD13 LEU 50 2.413 5.120 1.268 413 HD21 LEU 50 HD21 LEU 50 0.782 8.045 2.959 414 HD22 LEU 50 HD22 LEU 50 1.754 6.918 3.909 415 HD23 LEU 50 HD23 LEU 50 2.303 7.421 2.302 416 H GLU 51 H GLU 51 -0.285 8.206 -1.510 417 HA GLU 51 HA GLU 51 -2.167 6.629 -3.000 418 HB2 GLU 51 HB2 GLU 51 -3.212 8.482 -4.168 419 HB3 GLU 51 HB3 GLU 51 -3.611 8.469 -2.446 420 HG2 GLU 51 HG2 GLU 51 -1.809 10.254 -2.149 421 HG3 GLU 51 HG3 GLU 51 -1.732 10.354 -3.914 422 H ASP 52 H ASP 52 -1.880 7.342 -5.408 423 HA ASP 52 HA ASP 52 0.852 6.821 -6.071 424 HB2 ASP 52 HB2 ASP 52 0.089 6.694 -8.334 425 HB3 ASP 52 HB3 ASP 52 -1.047 5.836 -7.302 426 H GLY 53 H GLY 53 2.016 8.007 -7.732 427 HA2 GLY 53 HA2 GLY 53 2.623 9.990 -8.825 428 HA3 GLY 53 HA3 GLY 53 1.700 10.950 -7.654 429 H ARG 54 H ARG 54 2.811 9.219 -5.372 430 HA ARG 54 HA ARG 54 5.500 10.550 -5.174 431 HB2 ARG 54 HB2 ARG 54 3.480 9.591 -3.112 432 HB3 ARG 54 HB3 ARG 54 5.133 10.068 -2.694 433 HG2 ARG 54 HG2 ARG 54 4.640 12.307 -3.792 434 HG3 ARG 54 HG3 ARG 54 2.948 11.800 -3.860 435 HD2 ARG 54 HD2 ARG 54 3.574 11.241 -1.231 436 HD3 ARG 54 HD3 ARG 54 4.639 12.607 -1.529 437 HE ARG 54 HE ARG 54 2.070 13.242 -2.530 438 HH11 ARG 54 HH11 ARG 54 3.768 12.862 0.613 439 HH12 ARG 54 HH12 ARG 54 2.556 13.710 1.485 440 HH21 ARG 54 HH21 ARG 54 0.515 14.435 -1.327 441 HH22 ARG 54 HH22 ARG 54 0.802 14.762 0.360 442 H THR 55 H THR 55 7.028 9.354 -3.787 443 HA THR 55 HA THR 55 7.041 6.417 -4.351 444 HB THR 55 HB THR 55 9.529 6.680 -4.245 445 HG1 THR 55 HG1 THR 55 9.049 9.469 -4.477 446 HG21 THR 55 HG21 THR 55 9.874 7.701 -6.434 447 HG22 THR 55 HG22 THR 55 8.497 6.586 -6.436 448 HG23 THR 55 HG23 THR 55 8.214 8.335 -6.406 449 H LEU 56 H LEU 56 8.478 5.203 -2.788 450 HA LEU 56 HA LEU 56 7.486 5.419 -0.149 451 HB2 LEU 56 HB2 LEU 56 9.823 3.937 -1.352 452 HB3 LEU 56 HB3 LEU 56 9.649 4.059 0.401 453 HG LEU 56 HG LEU 56 7.280 3.153 0.135 454 HD11 LEU 56 HD11 LEU 56 8.360 2.502 -2.648 455 HD12 LEU 56 HD12 LEU 56 6.968 1.701 -1.921 456 HD13 LEU 56 HD13 LEU 56 6.908 3.438 -2.260 457 HD21 LEU 56 HD21 LEU 56 9.616 1.357 -0.620 458 HD22 LEU 56 HD22 LEU 56 9.131 1.825 1.040 459 HD23 LEU 56 HD23 LEU 56 8.064 0.833 0.059 460 H SER 57 H SER 57 10.459 6.767 -1.566 461 HA SER 57 HA SER 57 11.727 7.679 0.781 462 HB2 SER 57 HB2 SER 57 12.735 7.478 -1.477 463 HB3 SER 57 HB3 SER 57 11.720 8.808 -2.055 464 HG SER 57 HG SER 57 13.930 9.316 -1.456 465 H ASP 58 H ASP 58 9.304 9.328 -1.358 466 HA ASP 58 HA ASP 58 9.294 11.844 -0.100 467 HB2 ASP 58 HB2 ASP 58 6.983 10.335 -1.385 468 HB3 ASP 58 HB3 ASP 58 6.914 12.019 -0.879 469 H TYR 59 H TYR 59 7.316 8.946 0.579 470 HA TYR 59 HA TYR 59 6.022 10.180 2.888 471 HB2 TYR 59 HB2 TYR 59 6.095 7.355 1.807 472 HB3 TYR 59 HB3 TYR 59 5.059 7.880 3.135 473 HD1 TYR 59 HD1 TYR 59 3.651 10.162 2.507 474 HD2 TYR 59 HD2 TYR 59 5.036 7.172 -0.281 475 HE1 TYR 59 HE1 TYR 59 1.770 10.679 1.031 476 HE2 TYR 59 HE2 TYR 59 3.166 7.725 -1.789 477 HH TYR 59 HH TYR 59 1.289 9.024 -2.152 478 H ASN 60 H ASN 60 9.091 8.807 2.505 479 HA ASN 60 HA ASN 60 10.726 8.078 3.849 480 HB2 ASN 60 HB2 ASN 60 10.458 10.176 4.965 481 HB3 ASN 60 HB3 ASN 60 9.120 9.546 5.933 482 HD21 ASN 60 HD21 ASN 60 11.450 9.142 8.543 483 HD22 ASN 60 HD22 ASN 60 9.994 9.925 7.929 484 H ILE 61 H ILE 61 8.983 6.225 3.081 485 HA ILE 61 HA ILE 61 8.181 4.504 5.346 486 HB ILE 61 HB ILE 61 8.024 4.235 2.307 487 HG12 ILE 61 HG12 ILE 61 5.761 4.467 4.338 488 HG13 ILE 61 HG13 ILE 61 6.478 5.875 3.577 489 HG21 ILE 61 HG21 ILE 61 6.902 2.323 4.420 490 HG22 ILE 61 HG22 ILE 61 6.663 2.196 2.667 491 HG23 ILE 61 HG23 ILE 61 8.268 1.972 3.339 492 HD11 ILE 61 HD11 ILE 61 4.492 5.333 2.381 493 HD12 ILE 61 HD12 ILE 61 5.858 4.939 1.326 494 HD13 ILE 61 HD13 ILE 61 4.978 3.643 2.168 495 H GLN 62 H GLN 62 9.607 2.958 6.120 496 HA GLN 62 HA GLN 62 12.196 2.633 4.672 497 HB2 GLN 62 HB2 GLN 62 11.511 2.155 7.608 498 HB3 GLN 62 HB3 GLN 62 13.100 1.939 6.866 499 HG2 GLN 62 HG2 GLN 62 11.587 4.554 7.221 500 HG3 GLN 62 HG3 GLN 62 13.107 4.070 7.978 501 HE21 GLN 62 HE21 GLN 62 13.395 6.147 4.606 502 HE22 GLN 62 HE22 GLN 62 12.130 6.283 5.788 503 H LYS 63 H LYS 63 13.250 0.417 5.211 504 HA LYS 63 HA LYS 63 11.616 -1.539 3.894 505 HB2 LYS 63 HB2 LYS 63 13.446 -3.027 4.051 506 HB3 LYS 63 HB3 LYS 63 14.144 -1.436 3.766 507 HG2 LYS 63 HG2 LYS 63 14.644 -1.257 6.222 508 HG3 LYS 63 HG3 LYS 63 14.017 -2.904 6.444 509 HD2 LYS 63 HD2 LYS 63 15.710 -3.747 4.796 510 HD3 LYS 63 HD3 LYS 63 16.328 -2.086 4.656 511 HE2 LYS 63 HE2 LYS 63 16.433 -2.271 7.304 512 HE3 LYS 63 HE3 LYS 63 16.464 -4.008 7.000 513 HZ1 LYS 63 HZ1 LYS 63 18.306 -2.052 5.764 514 HZ2 LYS 63 HZ2 LYS 63 18.657 -2.831 7.154 515 HZ3 LYS 63 HZ3 LYS 63 18.491 -3.706 5.772 516 H GLU 64 H GLU 64 11.032 -3.650 4.737 517 HA GLU 64 HA GLU 64 9.698 -4.828 6.043 518 HB2 GLU 64 HB2 GLU 64 12.000 -4.194 7.916 519 HB3 GLU 64 HB3 GLU 64 10.685 -5.283 8.353 520 HG2 GLU 64 HG2 GLU 64 12.374 -6.688 7.555 521 HG3 GLU 64 HG3 GLU 64 11.147 -6.652 6.297 522 H SER 65 H SER 65 8.607 -2.288 5.674 523 HA SER 65 HA SER 65 7.590 -1.366 8.280 524 HB2 SER 65 HB2 SER 65 6.366 0.274 6.699 525 HB3 SER 65 HB3 SER 65 8.107 0.465 6.951 526 HG SER 65 HG SER 65 8.505 -0.052 4.978 527 H THR 66 H THR 66 5.084 -1.152 8.444 528 HA THR 66 HA THR 66 3.683 -3.328 6.958 529 HB THR 66 HB THR 66 3.660 -2.770 9.940 530 HG1 THR 66 HG1 THR 66 5.289 -4.142 9.379 531 HG21 THR 66 HG21 THR 66 1.896 -4.536 8.187 532 HG22 THR 66 HG22 THR 66 2.022 -4.668 9.957 533 HG23 THR 66 HG23 THR 66 1.363 -3.196 9.229 534 H LEU 67 H LEU 67 2.516 -2.312 5.625 535 HA LEU 67 HA LEU 67 1.135 0.220 6.307 536 HB2 LEU 67 HB2 LEU 67 1.625 -1.292 3.691 537 HB3 LEU 67 HB3 LEU 67 0.673 0.178 3.840 538 HG LEU 67 HG LEU 67 2.784 1.273 4.849 539 HD11 LEU 67 HD11 LEU 67 4.066 -1.200 3.611 540 HD12 LEU 67 HD12 LEU 67 4.946 0.316 3.889 541 HD13 LEU 67 HD13 LEU 67 4.299 -0.568 5.253 542 HD21 LEU 67 HD21 LEU 67 3.660 1.788 2.608 543 HD22 LEU 67 HD22 LEU 67 2.783 0.403 1.942 544 HD23 LEU 67 HD23 LEU 67 1.898 1.793 2.634 545 H HIS 68 H HIS 68 -1.146 0.372 5.593 546 HA HIS 68 HA HIS 68 -2.679 -2.181 5.833 547 HB2 HIS 68 HB2 HIS 68 -2.945 0.375 7.387 548 HB3 HIS 68 HB3 HIS 68 -4.425 -0.366 6.810 549 HD1 HIS 68 HD1 HIS 68 -1.519 -1.216 9.271 550 HD2 HIS 68 HD2 HIS 68 -5.357 -2.488 8.009 551 HE1 HIS 68 HE1 HIS 68 -2.354 -2.846 11.008 552 H LEU 69 H LEU 69 -4.752 -2.117 4.687 553 HA LEU 69 HA LEU 69 -4.881 -0.128 2.455 554 HB2 LEU 69 HB2 LEU 69 -5.090 -3.143 2.613 555 HB3 LEU 69 HB3 LEU 69 -5.957 -2.320 1.355 556 HG LEU 69 HG LEU 69 -2.995 -1.890 1.728 557 HD11 LEU 69 HD11 LEU 69 -2.658 -3.602 -0.022 558 HD12 LEU 69 HD12 LEU 69 -3.433 -4.310 1.400 559 HD13 LEU 69 HD13 LEU 69 -4.394 -3.939 -0.044 560 HD21 LEU 69 HD21 LEU 69 -4.778 -1.577 -0.730 561 HD22 LEU 69 HD22 LEU 69 -4.297 -0.243 0.320 562 HD23 LEU 69 HD23 LEU 69 -3.064 -1.127 -0.585 563 H VAL 70 H VAL 70 -6.835 1.040 2.631 564 HA VAL 70 HA VAL 70 -9.173 -0.288 3.868 565 HB VAL 70 HB VAL 70 -9.579 1.457 5.462 566 HG11 VAL 70 HG11 VAL 70 -6.605 0.892 5.749 567 HG12 VAL 70 HG12 VAL 70 -7.767 1.318 7.016 568 HG13 VAL 70 HG13 VAL 70 -7.900 -0.243 6.188 569 HG21 VAL 70 HG21 VAL 70 -7.286 2.930 4.153 570 HG22 VAL 70 HG22 VAL 70 -8.961 3.453 4.321 571 HG23 VAL 70 HG23 VAL 70 -7.930 3.382 5.754 572 H LEU 71 H LEU 71 -11.168 1.198 3.804 573 HA LEU 71 HA LEU 71 -11.222 3.040 1.480 574 HB2 LEU 71 HB2 LEU 71 -13.055 1.925 0.457 575 HB3 LEU 71 HB3 LEU 71 -11.857 0.700 0.759 576 HG LEU 71 HG LEU 71 -13.673 0.846 3.057 577 HD11 LEU 71 HD11 LEU 71 -15.756 0.222 2.124 578 HD12 LEU 71 HD12 LEU 71 -15.289 1.713 1.304 579 HD13 LEU 71 HD13 LEU 71 -15.117 0.152 0.483 580 HD21 LEU 71 HD21 LEU 71 -13.980 -1.522 2.631 581 HD22 LEU 71 HD22 LEU 71 -13.183 -1.366 1.047 582 HD23 LEU 71 HD23 LEU 71 -12.269 -1.071 2.542 583 H ARG 72 H ARG 72 -13.795 3.677 1.335 584 HA ARG 72 HA ARG 72 -15.102 3.975 3.848 585 HB2 ARG 72 HB2 ARG 72 -13.285 5.779 3.913 586 HB3 ARG 72 HB3 ARG 72 -14.130 6.582 2.580 587 HG2 ARG 72 HG2 ARG 72 -16.057 7.016 3.932 588 HG3 ARG 72 HG3 ARG 72 -15.637 5.721 5.070 589 HD2 ARG 72 HD2 ARG 72 -13.547 7.084 5.646 590 HD3 ARG 72 HD3 ARG 72 -14.364 8.440 4.846 591 HE ARG 72 HE ARG 72 -16.296 7.626 6.498 592 HH11 ARG 72 HH11 ARG 72 -12.855 8.165 7.286 593 HH12 ARG 72 HH12 ARG 72 -13.156 8.377 8.970 594 HH21 ARG 72 HH21 ARG 72 -16.685 8.002 8.643 595 HH22 ARG 72 HH22 ARG 72 -15.406 8.358 9.772 596 H LEU 73 H LEU 73 -17.287 4.091 3.368 597 HA LEU 73 HA LEU 73 -18.243 5.267 0.900 598 HB2 LEU 73 HB2 LEU 73 -17.522 2.614 0.651 599 HB3 LEU 73 HB3 LEU 73 -19.181 2.431 1.200 600 HG LEU 73 HG LEU 73 -18.235 4.066 -1.200 601 HD11 LEU 73 HD11 LEU 73 -19.706 1.399 -1.075 602 HD12 LEU 73 HD12 LEU 73 -19.277 2.292 -2.548 603 HD13 LEU 73 HD13 LEU 73 -18.002 1.632 -1.515 604 HD21 LEU 73 HD21 LEU 73 -21.080 3.418 -0.321 605 HD22 LEU 73 HD22 LEU 73 -20.320 5.045 -0.334 606 HD23 LEU 73 HD23 LEU 73 -20.617 4.192 -1.842 607 H ARG 74 H ARG 74 -20.097 6.317 1.642 608 HA ARG 74 HA ARG 74 -21.322 5.275 4.125 609 HB2 ARG 74 HB2 ARG 74 -21.485 8.078 3.021 610 HB3 ARG 74 HB3 ARG 74 -22.411 7.481 4.392 611 HG2 ARG 74 HG2 ARG 74 -19.451 7.942 4.210 612 HG3 ARG 74 HG3 ARG 74 -20.585 8.510 5.421 613 HD2 ARG 74 HD2 ARG 74 -19.541 5.650 5.107 614 HD3 ARG 74 HD3 ARG 74 -19.007 6.788 6.285 615 HE ARG 74 HE ARG 74 -21.485 5.229 6.320 616 HH11 ARG 74 HH11 ARG 74 -19.614 7.785 7.884 617 HH12 ARG 74 HH12 ARG 74 -20.432 7.576 9.401 618 HH21 ARG 74 HH21 ARG 74 -22.656 5.104 8.306 619 HH22 ARG 74 HH22 ARG 74 -22.262 6.202 9.578 620 H GLY 75 H GLY 75 -21.884 4.528 1.120 621 HA2 GLY 75 HA2 GLY 75 -24.838 4.570 1.290 622 HA3 GLY 75 HA3 GLY 75 -23.836 3.864 0.007 623 H GLY 76 H GLY 76 -22.837 3.161 3.329 624 HA2 GLY 76 HA2 GLY 76 -24.256 0.937 4.050 625 HA3 GLY 76 HA3 GLY 76 -22.820 0.412 3.142 Start of MODEL 18 1 H1 MET 1 H MET 1 15.963 -4.865 0.532 2 HA MET 1 HA MET 1 14.148 -4.305 2.018 3 HB2 MET 1 HB2 MET 1 15.041 -2.425 0.792 4 HB3 MET 1 HB3 MET 1 13.999 -2.766 -0.587 5 HG2 MET 1 HG2 MET 1 12.003 -2.351 0.882 6 HG3 MET 1 HG3 MET 1 13.117 -1.954 2.194 7 HE1 MET 1 HE1 MET 1 11.136 0.081 1.984 8 HE2 MET 1 HE2 MET 1 12.675 0.463 2.793 9 HE3 MET 1 HE3 MET 1 11.977 1.615 1.644 10 H GLN 2 H GLN 2 12.331 -5.409 2.657 11 HA GLN 2 HA GLN 2 10.235 -5.710 0.574 12 HB2 GLN 2 HB2 GLN 2 9.479 -7.749 1.625 13 HB3 GLN 2 HB3 GLN 2 11.107 -7.945 0.983 14 HG2 GLN 2 HG2 GLN 2 12.069 -8.109 3.113 15 HG3 GLN 2 HG3 GLN 2 10.777 -7.206 3.887 16 HE21 GLN 2 HE21 GLN 2 9.096 -10.095 4.929 17 HE22 GLN 2 HE22 GLN 2 9.426 -8.397 5.159 18 H ILE 3 H ILE 3 8.059 -5.634 1.480 19 HA ILE 3 HA ILE 3 7.843 -4.276 4.110 20 HB ILE 3 HB ILE 3 6.219 -2.686 3.204 21 HG12 ILE 3 HG12 ILE 3 7.103 -3.516 0.403 22 HG13 ILE 3 HG13 ILE 3 5.602 -4.049 1.150 23 HG21 ILE 3 HG21 ILE 3 7.821 -1.110 2.290 24 HG22 ILE 3 HG22 ILE 3 8.618 -2.091 3.520 25 HG23 ILE 3 HG23 ILE 3 8.916 -2.426 1.810 26 HD11 ILE 3 HD11 ILE 3 5.144 -2.180 -0.305 27 HD12 ILE 3 HD12 ILE 3 4.846 -1.708 1.379 28 HD13 ILE 3 HD13 ILE 3 6.311 -1.153 0.546 29 H PHE 4 H PHE 4 5.478 -4.266 4.777 30 HA PHE 4 HA PHE 4 4.158 -6.750 3.886 31 HB2 PHE 4 HB2 PHE 4 4.248 -5.528 6.655 32 HB3 PHE 4 HB3 PHE 4 3.394 -6.993 6.207 33 HD1 PHE 4 HD1 PHE 4 4.794 -8.956 5.274 34 HD2 PHE 4 HD2 PHE 4 6.498 -5.651 7.449 35 HE1 PHE 4 HE1 PHE 4 6.727 -10.381 5.917 36 HE2 PHE 4 HE2 PHE 4 8.439 -7.067 8.079 37 HZ PHE 4 HZ PHE 4 8.546 -9.438 7.351 38 H VAL 5 H VAL 5 1.816 -6.638 3.863 39 HA VAL 5 HA VAL 5 0.637 -3.947 4.272 40 HB VAL 5 HB VAL 5 -0.149 -5.458 1.780 41 HG11 VAL 5 HG11 VAL 5 -1.489 -3.542 2.590 42 HG12 VAL 5 HG12 VAL 5 -0.054 -2.502 2.541 43 HG13 VAL 5 HG13 VAL 5 -0.712 -3.163 1.039 44 HG21 VAL 5 HG21 VAL 5 1.406 -4.083 0.418 45 HG22 VAL 5 HG22 VAL 5 2.238 -3.578 1.911 46 HG23 VAL 5 HG23 VAL 5 2.245 -5.284 1.398 47 H LYS 6 H LYS 6 -1.196 -4.102 5.435 48 HA LYS 6 HA LYS 6 -2.422 -6.792 5.844 49 HB2 LYS 6 HB2 LYS 6 -1.868 -5.326 7.830 50 HB3 LYS 6 HB3 LYS 6 -2.954 -4.096 7.200 51 HG2 LYS 6 HG2 LYS 6 -4.130 -5.283 8.921 52 HG3 LYS 6 HG3 LYS 6 -4.871 -5.691 7.388 53 HD2 LYS 6 HD2 LYS 6 -4.723 -7.696 8.745 54 HD3 LYS 6 HD3 LYS 6 -3.666 -7.850 7.368 55 HE2 LYS 6 HE2 LYS 6 -2.443 -8.738 9.159 56 HE3 LYS 6 HE3 LYS 6 -1.717 -7.155 8.857 57 HZ1 LYS 6 HZ1 LYS 6 -3.639 -7.863 10.978 58 HZ2 LYS 6 HZ2 LYS 6 -2.059 -7.553 11.186 59 HZ3 LYS 6 HZ3 LYS 6 -3.074 -6.317 10.742 60 H THR 7 H THR 7 -4.024 -7.327 4.318 61 HA THR 7 HA THR 7 -5.328 -5.171 2.808 62 HB THR 7 HB THR 7 -6.370 -7.239 1.676 63 HG1 THR 7 HG1 THR 7 -6.025 -9.033 2.621 64 HG21 THR 7 HG21 THR 7 -4.491 -6.134 0.596 65 HG22 THR 7 HG22 THR 7 -3.336 -6.933 1.680 66 HG23 THR 7 HG23 THR 7 -4.261 -7.881 0.495 67 H LEU 8 H LEU 8 -7.658 -5.123 2.578 68 HA LEU 8 HA LEU 8 -9.035 -5.120 5.072 69 HB2 LEU 8 HB2 LEU 8 -10.760 -4.124 4.013 70 HB3 LEU 8 HB3 LEU 8 -9.456 -3.684 2.935 71 HG LEU 8 HG LEU 8 -11.536 -5.891 2.504 72 HD11 LEU 8 HD11 LEU 8 -12.507 -3.687 2.333 73 HD12 LEU 8 HD12 LEU 8 -11.220 -3.155 1.217 74 HD13 LEU 8 HD13 LEU 8 -12.384 -4.393 0.725 75 HD21 LEU 8 HD21 LEU 8 -9.696 -4.909 0.335 76 HD22 LEU 8 HD22 LEU 8 -9.314 -6.347 1.334 77 HD23 LEU 8 HD23 LEU 8 -10.772 -6.297 0.340 78 H THR 9 H THR 9 -8.251 -7.807 3.283 79 HA THR 9 HA THR 9 -10.709 -9.342 3.696 80 HB THR 9 HB THR 9 -9.210 -11.084 2.588 81 HG1 THR 9 HG1 THR 9 -7.316 -10.355 1.653 82 HG21 THR 9 HG21 THR 9 -9.333 -10.193 0.374 83 HG22 THR 9 HG22 THR 9 -10.714 -9.548 1.254 84 HG23 THR 9 HG23 THR 9 -9.304 -8.525 0.952 85 H GLY 10 H GLY 10 -7.871 -8.484 5.512 86 HA2 GLY 10 HA2 GLY 10 -7.501 -9.180 7.718 87 HA3 GLY 10 HA3 GLY 10 -8.412 -10.673 7.433 88 H LYS 11 H LYS 11 -6.261 -9.988 4.842 89 HA LYS 11 HA LYS 11 -4.413 -12.114 5.792 90 HB2 LYS 11 HB2 LYS 11 -4.927 -10.962 3.009 91 HB3 LYS 11 HB3 LYS 11 -3.681 -12.126 3.380 92 HG2 LYS 11 HG2 LYS 11 -6.202 -13.117 4.423 93 HG3 LYS 11 HG3 LYS 11 -6.450 -12.585 2.767 94 HD2 LYS 11 HD2 LYS 11 -4.166 -14.416 3.621 95 HD3 LYS 11 HD3 LYS 11 -5.743 -15.005 3.112 96 HE2 LYS 11 HE2 LYS 11 -4.019 -13.248 1.325 97 HE3 LYS 11 HE3 LYS 11 -3.876 -15.009 1.393 98 HZ1 LYS 11 HZ1 LYS 11 -6.155 -13.455 0.406 99 HZ2 LYS 11 HZ2 LYS 11 -5.301 -14.621 -0.310 100 HZ3 LYS 11 HZ3 LYS 11 -6.335 -15.040 0.900 101 H THR 12 H THR 12 -2.126 -11.796 5.198 102 HA THR 12 HA THR 12 -1.303 -8.952 5.214 103 HB THR 12 HB THR 12 0.495 -10.928 6.501 104 HG1 THR 12 HG1 THR 12 -1.316 -11.568 7.479 105 HG21 THR 12 HG21 THR 12 0.914 -9.007 8.007 106 HG22 THR 12 HG22 THR 12 1.074 -8.541 6.311 107 HG23 THR 12 HG23 THR 12 -0.391 -8.093 7.214 108 H ILE 13 H ILE 13 0.134 -8.496 3.639 109 HA ILE 13 HA ILE 13 1.017 -10.719 1.855 110 HB ILE 13 HB ILE 13 0.620 -7.785 1.167 111 HG12 ILE 13 HG12 ILE 13 -1.578 -8.471 1.946 112 HG13 ILE 13 HG13 ILE 13 -1.565 -8.188 0.241 113 HG21 ILE 13 HG21 ILE 13 1.970 -9.067 -0.437 114 HG22 ILE 13 HG22 ILE 13 0.667 -10.260 -0.596 115 HG23 ILE 13 HG23 ILE 13 0.437 -8.590 -1.149 116 HD11 ILE 13 HD11 ILE 13 -1.528 -10.944 1.568 117 HD12 ILE 13 HD12 ILE 13 -2.925 -10.156 0.823 118 HD13 ILE 13 HD13 ILE 13 -1.556 -10.656 -0.181 119 H THR 14 H THR 14 3.168 -10.469 1.007 120 HA THR 14 HA THR 14 4.968 -8.545 2.347 121 HB THR 14 HB THR 14 5.491 -11.467 1.649 122 HG1 THR 14 HG1 THR 14 4.303 -11.328 3.509 123 HG21 THR 14 HG21 THR 14 7.525 -10.094 1.388 124 HG22 THR 14 HG22 THR 14 7.253 -9.366 2.987 125 HG23 THR 14 HG23 THR 14 7.641 -11.099 2.839 126 H LEU 15 H LEU 15 6.133 -7.356 0.820 127 HA LEU 15 HA LEU 15 6.229 -8.304 -1.999 128 HB2 LEU 15 HB2 LEU 15 5.215 -5.606 -1.003 129 HB3 LEU 15 HB3 LEU 15 5.732 -5.897 -2.659 130 HG LEU 15 HG LEU 15 3.403 -7.323 -1.302 131 HD11 LEU 15 HD11 LEU 15 2.113 -5.914 -2.975 132 HD12 LEU 15 HD12 LEU 15 2.848 -5.026 -1.624 133 HD13 LEU 15 HD13 LEU 15 3.602 -4.979 -3.224 134 HD21 LEU 15 HD21 LEU 15 4.487 -7.426 -4.150 135 HD22 LEU 15 HD22 LEU 15 4.322 -8.773 -3.026 136 HD23 LEU 15 HD23 LEU 15 2.872 -8.010 -3.686 137 H GLU 16 H GLU 16 7.879 -7.410 -3.209 138 HA GLU 16 HA GLU 16 10.204 -6.382 -1.706 139 HB2 GLU 16 HB2 GLU 16 10.343 -8.473 -2.990 140 HB3 GLU 16 HB3 GLU 16 9.910 -7.620 -4.480 141 HG2 GLU 16 HG2 GLU 16 11.984 -6.359 -4.442 142 HG3 GLU 16 HG3 GLU 16 12.343 -6.893 -2.779 143 H VAL 17 H VAL 17 10.597 -4.236 -1.853 144 HA VAL 17 HA VAL 17 9.771 -2.744 -4.271 145 HB VAL 17 HB VAL 17 8.806 -0.966 -2.913 146 HG11 VAL 17 HG11 VAL 17 7.297 -2.788 -3.684 147 HG12 VAL 17 HG12 VAL 17 7.483 -3.593 -2.115 148 HG13 VAL 17 HG13 VAL 17 6.735 -1.987 -2.207 149 HG21 VAL 17 HG21 VAL 17 10.106 -1.246 -0.822 150 HG22 VAL 17 HG22 VAL 17 8.371 -1.235 -0.502 151 HG23 VAL 17 HG23 VAL 17 9.261 -2.772 -0.493 152 H GLU 18 H GLU 18 10.658 -0.247 -3.690 153 HA GLU 18 HA GLU 18 13.262 -0.364 -2.457 154 HB2 GLU 18 HB2 GLU 18 14.480 0.406 -4.406 155 HB3 GLU 18 HB3 GLU 18 13.723 -1.139 -4.753 156 HG2 GLU 18 HG2 GLU 18 11.908 0.008 -5.977 157 HG3 GLU 18 HG3 GLU 18 12.652 1.589 -5.628 158 HA PRO 19 HA PRO 19 12.319 3.661 -1.177 159 HB2 PRO 19 HB2 PRO 19 14.895 4.656 -2.401 160 HB3 PRO 19 HB3 PRO 19 14.236 4.968 -0.766 161 HG2 PRO 19 HG2 PRO 19 16.182 3.130 -1.116 162 HG3 PRO 19 HG3 PRO 19 14.788 2.749 -0.050 163 HD2 PRO 19 HD2 PRO 19 15.239 1.908 -2.915 164 HD3 PRO 19 HD3 PRO 19 14.673 0.934 -1.533 165 H SER 20 H SER 20 13.212 3.371 -4.624 166 HA SER 20 HA SER 20 11.666 5.874 -5.122 167 HB2 SER 20 HB2 SER 20 13.868 4.606 -6.754 168 HB3 SER 20 HB3 SER 20 13.005 6.114 -7.116 169 HG SER 20 HG SER 20 13.740 6.959 -5.148 170 H ASP 21 H ASP 21 10.421 3.130 -4.793 171 HA ASP 21 HA ASP 21 9.424 2.781 -7.582 172 HB2 ASP 21 HB2 ASP 21 9.930 0.795 -5.993 173 HB3 ASP 21 HB3 ASP 21 8.425 1.220 -5.184 174 H THR 22 H THR 22 7.313 3.568 -8.149 175 HA THR 22 HA THR 22 6.256 5.618 -6.416 176 HB THR 22 HB THR 22 4.329 5.473 -8.228 177 HG1 THR 22 HG1 THR 22 6.426 4.372 -9.735 178 HG21 THR 22 HG21 THR 22 7.090 6.468 -8.938 179 HG22 THR 22 HG22 THR 22 5.582 6.911 -9.751 180 HG23 THR 22 HG23 THR 22 5.850 7.366 -8.060 181 H ILE 23 H ILE 23 4.067 5.811 -5.662 182 HA ILE 23 HA ILE 23 3.174 3.518 -4.185 183 HB ILE 23 HB ILE 23 1.933 6.190 -4.819 184 HG12 ILE 23 HG12 ILE 23 3.914 6.130 -3.280 185 HG13 ILE 23 HG13 ILE 23 2.457 6.807 -2.573 186 HG21 ILE 23 HG21 ILE 23 -0.020 4.865 -4.473 187 HG22 ILE 23 HG22 ILE 23 0.704 4.006 -3.099 188 HG23 ILE 23 HG23 ILE 23 0.266 5.723 -2.956 189 HD11 ILE 23 HD11 ILE 23 3.285 3.939 -2.070 190 HD12 ILE 23 HD12 ILE 23 3.747 5.315 -1.041 191 HD13 ILE 23 HD13 ILE 23 2.042 4.879 -1.236 192 H GLU 24 H GLU 24 2.433 4.666 -7.439 193 HA GLU 24 HA GLU 24 -0.002 3.243 -7.840 194 HB2 GLU 24 HB2 GLU 24 1.049 5.092 -9.270 195 HB3 GLU 24 HB3 GLU 24 2.189 3.891 -9.878 196 HG2 GLU 24 HG2 GLU 24 0.404 4.164 -11.479 197 HG3 GLU 24 HG3 GLU 24 0.247 2.554 -10.761 198 H ASN 25 H ASN 25 3.414 2.380 -8.539 199 HA ASN 25 HA ASN 25 2.969 -0.262 -9.382 200 HB2 ASN 25 HB2 ASN 25 5.284 1.399 -8.518 201 HB3 ASN 25 HB3 ASN 25 5.475 -0.294 -8.103 202 HD21 ASN 25 HD21 ASN 25 6.828 0.406 -11.585 203 HD22 ASN 25 HD22 ASN 25 7.068 1.110 -9.966 204 H VAL 26 H VAL 26 3.854 0.965 -6.147 205 HA VAL 26 HA VAL 26 3.857 -1.518 -4.785 206 HB VAL 26 HB VAL 26 3.340 1.327 -3.847 207 HG11 VAL 26 HG11 VAL 26 2.449 -0.082 -2.124 208 HG12 VAL 26 HG12 VAL 26 3.869 -1.164 -2.197 209 HG13 VAL 26 HG13 VAL 26 4.027 0.502 -1.582 210 HG21 VAL 26 HG21 VAL 26 5.609 0.890 -4.845 211 HG22 VAL 26 HG22 VAL 26 5.684 1.238 -3.117 212 HG23 VAL 26 HG23 VAL 26 5.831 -0.426 -3.698 213 H LYS 27 H LYS 27 1.090 0.651 -5.523 214 HA LYS 27 HA LYS 27 -0.741 -0.997 -3.959 215 HB2 LYS 27 HB2 LYS 27 -0.855 1.493 -4.218 216 HB3 LYS 27 HB3 LYS 27 -1.355 1.247 -5.903 217 HG2 LYS 27 HG2 LYS 27 -3.415 0.191 -5.186 218 HG3 LYS 27 HG3 LYS 27 -2.830 0.026 -3.523 219 HD2 LYS 27 HD2 LYS 27 -4.512 1.828 -3.795 220 HD3 LYS 27 HD3 LYS 27 -2.963 2.410 -3.148 221 HE2 LYS 27 HE2 LYS 27 -2.292 3.243 -5.339 222 HE3 LYS 27 HE3 LYS 27 -3.704 2.488 -6.089 223 HZ1 LYS 27 HZ1 LYS 27 -3.970 4.605 -4.051 224 HZ2 LYS 27 HZ2 LYS 27 -3.856 4.934 -5.650 225 HZ3 LYS 27 HZ3 LYS 27 -5.115 4.037 -5.107 226 H ALA 28 H ALA 28 0.621 -1.263 -7.101 227 HA ALA 28 HA ALA 28 -1.646 -2.751 -8.264 228 HB1 ALA 28 HB1 ALA 28 1.153 -2.210 -9.356 229 HB2 ALA 28 HB2 ALA 28 -0.239 -2.859 -10.240 230 HB3 ALA 28 HB3 ALA 28 -0.272 -1.185 -9.648 231 H LYS 29 H LYS 29 1.709 -3.345 -7.093 232 HA LYS 29 HA LYS 29 1.862 -6.066 -7.679 233 HB2 LYS 29 HB2 LYS 29 3.005 -4.516 -5.332 234 HB3 LYS 29 HB3 LYS 29 3.323 -6.235 -5.608 235 HG2 LYS 29 HG2 LYS 29 4.204 -5.617 -7.914 236 HG3 LYS 29 HG3 LYS 29 4.139 -3.920 -7.392 237 HD2 LYS 29 HD2 LYS 29 5.560 -4.574 -5.391 238 HD3 LYS 29 HD3 LYS 29 5.710 -6.190 -6.073 239 HE2 LYS 29 HE2 LYS 29 6.708 -3.606 -7.351 240 HE3 LYS 29 HE3 LYS 29 7.689 -4.792 -6.493 241 HZ1 LYS 29 HZ1 LYS 29 7.057 -6.404 -8.209 242 HZ2 LYS 29 HZ2 LYS 29 6.317 -5.173 -9.082 243 HZ3 LYS 29 HZ3 LYS 29 7.912 -5.134 -8.773 244 H ILE 30 H ILE 30 0.139 -4.607 -4.920 245 HA ILE 30 HA ILE 30 -0.433 -7.106 -3.616 246 HB ILE 30 HB ILE 30 -2.226 -5.827 -2.439 247 HG12 ILE 30 HG12 ILE 30 -1.129 -3.416 -3.937 248 HG13 ILE 30 HG13 ILE 30 -2.671 -4.195 -4.326 249 HG21 ILE 30 HG21 ILE 30 -0.716 -4.580 -1.051 250 HG22 ILE 30 HG22 ILE 30 0.134 -6.013 -1.623 251 HG23 ILE 30 HG23 ILE 30 0.460 -4.419 -2.361 252 HD11 ILE 30 HD11 ILE 30 -1.998 -2.841 -1.695 253 HD12 ILE 30 HD12 ILE 30 -3.014 -2.196 -2.975 254 HD13 ILE 30 HD13 ILE 30 -3.538 -3.638 -2.097 255 H GLN 31 H GLN 31 -1.937 -5.536 -6.451 256 HA GLN 31 HA GLN 31 -4.421 -6.986 -6.222 257 HB2 GLN 31 HB2 GLN 31 -3.266 -5.721 -8.731 258 HB3 GLN 31 HB3 GLN 31 -4.962 -6.026 -8.331 259 HG2 GLN 31 HG2 GLN 31 -4.677 -4.418 -6.375 260 HG3 GLN 31 HG3 GLN 31 -3.092 -4.026 -7.004 261 HE21 GLN 31 HE21 GLN 31 -5.735 -1.531 -8.122 262 HE22 GLN 31 HE22 GLN 31 -5.654 -2.480 -6.649 263 H ASP 32 H ASP 32 -1.212 -7.707 -7.326 264 HA ASP 32 HA ASP 32 -1.982 -9.951 -9.089 265 HB2 ASP 32 HB2 ASP 32 0.069 -9.090 -9.735 266 HB3 ASP 32 HB3 ASP 32 0.605 -8.785 -8.096 267 H LYS 33 H LYS 33 -0.849 -9.492 -5.709 268 HA LYS 33 HA LYS 33 -1.010 -12.372 -5.191 269 HB2 LYS 33 HB2 LYS 33 -0.068 -9.972 -3.645 270 HB3 LYS 33 HB3 LYS 33 -0.502 -11.437 -2.760 271 HG2 LYS 33 HG2 LYS 33 1.049 -12.775 -4.100 272 HG3 LYS 33 HG3 LYS 33 1.514 -11.341 -5.036 273 HD2 LYS 33 HD2 LYS 33 2.388 -10.266 -3.016 274 HD3 LYS 33 HD3 LYS 33 1.875 -11.622 -2.020 275 HE2 LYS 33 HE2 LYS 33 3.924 -11.813 -4.276 276 HE3 LYS 33 HE3 LYS 33 4.319 -11.604 -2.565 277 HZ1 LYS 33 HZ1 LYS 33 3.181 -13.718 -2.134 278 HZ2 LYS 33 HZ2 LYS 33 2.982 -13.953 -3.770 279 HZ3 LYS 33 HZ3 LYS 33 4.476 -13.872 -3.126 280 H GLU 34 H GLU 34 -3.387 -9.737 -4.776 281 HA GLU 34 HA GLU 34 -5.177 -11.719 -3.504 282 HB2 GLU 34 HB2 GLU 34 -4.129 -10.207 -1.703 283 HB3 GLU 34 HB3 GLU 34 -4.783 -8.831 -2.565 284 HG2 GLU 34 HG2 GLU 34 -6.259 -9.145 -0.800 285 HG3 GLU 34 HG3 GLU 34 -7.124 -9.865 -2.149 286 H GLY 35 H GLY 35 -7.403 -11.299 -4.183 287 HA2 GLY 35 HA2 GLY 35 -7.611 -9.788 -6.642 288 HA3 GLY 35 HA3 GLY 35 -8.868 -10.746 -5.844 289 H ILE 36 H ILE 36 -7.138 -7.645 -5.852 290 HA ILE 36 HA ILE 36 -9.509 -6.300 -4.727 291 HB ILE 36 HB ILE 36 -7.959 -4.781 -3.458 292 HG12 ILE 36 HG12 ILE 36 -5.989 -7.095 -3.809 293 HG13 ILE 36 HG13 ILE 36 -5.766 -5.436 -4.357 294 HG21 ILE 36 HG21 ILE 36 -8.187 -7.664 -2.488 295 HG22 ILE 36 HG22 ILE 36 -8.148 -6.196 -1.493 296 HG23 ILE 36 HG23 ILE 36 -9.529 -6.505 -2.525 297 HD11 ILE 36 HD11 ILE 36 -4.475 -5.800 -2.378 298 HD12 ILE 36 HD12 ILE 36 -5.799 -4.687 -1.974 299 HD13 ILE 36 HD13 ILE 36 -5.865 -6.405 -1.483 300 HA PRO 37 HA PRO 37 -8.337 -4.257 -8.591 301 HB2 PRO 37 HB2 PRO 37 -10.753 -3.303 -9.304 302 HB3 PRO 37 HB3 PRO 37 -10.488 -5.063 -9.220 303 HG2 PRO 37 HG2 PRO 37 -11.712 -3.271 -7.091 304 HG3 PRO 37 HG3 PRO 37 -12.386 -4.786 -7.771 305 HD2 PRO 37 HD2 PRO 37 -10.869 -4.692 -5.459 306 HD3 PRO 37 HD3 PRO 37 -10.878 -6.109 -6.547 307 HA PRO 38 HA PRO 38 -7.892 -0.012 -7.284 308 HB2 PRO 38 HB2 PRO 38 -8.432 1.098 -10.004 309 HB3 PRO 38 HB3 PRO 38 -6.902 1.017 -9.112 310 HG2 PRO 38 HG2 PRO 38 -7.451 -0.503 -11.335 311 HG3 PRO 38 HG3 PRO 38 -6.410 -1.091 -9.997 312 HD2 PRO 38 HD2 PRO 38 -9.364 -1.614 -10.440 313 HD3 PRO 38 HD3 PRO 38 -8.051 -2.783 -10.086 314 H ASP 39 H ASP 39 -10.405 -0.818 -6.531 315 HA ASP 39 HA ASP 39 -12.050 1.595 -6.710 316 HB2 ASP 39 HB2 ASP 39 -13.041 0.242 -8.477 317 HB3 ASP 39 HB3 ASP 39 -13.112 -1.167 -7.403 318 H GLN 40 H GLN 40 -12.574 2.042 -4.663 319 HA GLN 40 HA GLN 40 -12.669 1.944 -2.406 320 HB2 GLN 40 HB2 GLN 40 -13.654 -0.917 -2.695 321 HB3 GLN 40 HB3 GLN 40 -13.851 0.172 -1.331 322 HG2 GLN 40 HG2 GLN 40 -15.217 0.257 -4.011 323 HG3 GLN 40 HG3 GLN 40 -15.924 0.125 -2.400 324 HE21 GLN 40 HE21 GLN 40 -15.743 3.732 -4.088 325 HE22 GLN 40 HE22 GLN 40 -15.575 2.186 -4.915 326 H ASN 41 H ASN 41 -10.233 1.835 -3.321 327 HA ASN 41 HA ASN 41 -8.833 0.071 -1.425 328 HB2 ASN 41 HB2 ASN 41 -8.905 -0.987 -3.758 329 HB3 ASN 41 HB3 ASN 41 -7.967 0.388 -4.329 330 HD21 ASN 41 HD21 ASN 41 -6.191 -2.610 -2.267 331 HD22 ASN 41 HD22 ASN 41 -7.963 -2.499 -2.329 332 H ARG 42 H ARG 42 -7.267 1.341 -0.346 333 HA ARG 42 HA ARG 42 -5.942 3.607 -1.645 334 HB2 ARG 42 HB2 ARG 42 -8.038 4.642 -0.931 335 HB3 ARG 42 HB3 ARG 42 -7.916 3.903 0.675 336 HG2 ARG 42 HG2 ARG 42 -5.966 5.214 1.205 337 HG3 ARG 42 HG3 ARG 42 -5.903 5.874 -0.439 338 HD2 ARG 42 HD2 ARG 42 -8.279 6.303 1.407 339 HD3 ARG 42 HD3 ARG 42 -6.858 7.340 1.449 340 HE ARG 42 HE ARG 42 -8.924 7.247 -0.624 341 HH11 ARG 42 HH11 ARG 42 -5.593 8.280 0.110 342 HH12 ARG 42 HH12 ARG 42 -5.640 9.657 -0.944 343 HH21 ARG 42 HH21 ARG 42 -8.928 8.961 -2.160 344 HH22 ARG 42 HH22 ARG 42 -7.554 9.994 -2.328 345 H LEU 43 H LEU 43 -3.906 3.691 -0.792 346 HA LEU 43 HA LEU 43 -3.213 1.851 1.386 347 HB2 LEU 43 HB2 LEU 43 -2.081 1.970 -0.876 348 HB3 LEU 43 HB3 LEU 43 -1.460 3.555 -0.415 349 HG LEU 43 HG LEU 43 -0.251 2.443 1.503 350 HD11 LEU 43 HD11 LEU 43 -1.579 0.397 1.806 351 HD12 LEU 43 HD12 LEU 43 -1.184 -0.124 0.157 352 HD13 LEU 43 HD13 LEU 43 0.083 -0.029 1.383 353 HD21 LEU 43 HD21 LEU 43 1.496 1.466 0.034 354 HD22 LEU 43 HD22 LEU 43 0.325 1.336 -1.288 355 HD23 LEU 43 HD23 LEU 43 0.826 2.931 -0.698 356 H ILE 44 H ILE 44 -2.308 2.390 3.347 357 HA ILE 44 HA ILE 44 -1.837 5.230 4.099 358 HB ILE 44 HB ILE 44 -3.211 3.175 5.856 359 HG12 ILE 44 HG12 ILE 44 -4.783 3.542 3.980 360 HG13 ILE 44 HG13 ILE 44 -5.378 4.024 5.545 361 HG21 ILE 44 HG21 ILE 44 -3.936 5.165 7.168 362 HG22 ILE 44 HG22 ILE 44 -2.171 5.014 7.067 363 HG23 ILE 44 HG23 ILE 44 -3.021 6.204 6.070 364 HD11 ILE 44 HD11 ILE 44 -5.997 5.591 3.707 365 HD12 ILE 44 HD12 ILE 44 -5.139 6.376 5.038 366 HD13 ILE 44 HD13 ILE 44 -4.286 6.014 3.524 367 H PHE 45 H PHE 45 -0.109 5.432 5.635 368 HA PHE 45 HA PHE 45 1.268 2.979 6.609 369 HB2 PHE 45 HB2 PHE 45 2.562 3.583 4.688 370 HB3 PHE 45 HB3 PHE 45 2.416 5.297 5.045 371 HD1 PHE 45 HD1 PHE 45 3.722 2.205 6.840 372 HD2 PHE 45 HD2 PHE 45 4.339 6.346 5.763 373 HE1 PHE 45 HE1 PHE 45 5.899 2.202 8.011 374 HE2 PHE 45 HE2 PHE 45 6.545 6.304 6.920 375 HZ PHE 45 HZ PHE 45 7.309 4.245 8.050 376 H ALA 46 H ALA 46 1.400 3.202 8.799 377 HA ALA 46 HA ALA 46 1.176 4.117 10.879 378 HB1 ALA 46 HB1 ALA 46 3.155 6.095 9.684 379 HB2 ALA 46 HB2 ALA 46 2.923 5.751 11.414 380 HB3 ALA 46 HB3 ALA 46 3.555 4.497 10.325 381 H GLY 47 H GLY 47 -0.999 4.776 9.383 382 HA2 GLY 47 HA2 GLY 47 -2.890 6.069 9.625 383 HA3 GLY 47 HA3 GLY 47 -2.002 7.142 10.700 384 H LYS 48 H LYS 48 0.051 7.368 8.280 385 HA LYS 48 HA LYS 48 -1.130 9.781 7.233 386 HB2 LYS 48 HB2 LYS 48 1.396 9.004 7.928 387 HB3 LYS 48 HB3 LYS 48 1.493 8.727 6.197 388 HG2 LYS 48 HG2 LYS 48 1.268 10.993 5.692 389 HG3 LYS 48 HG3 LYS 48 0.319 11.358 7.135 390 HD2 LYS 48 HD2 LYS 48 3.273 10.656 7.267 391 HD3 LYS 48 HD3 LYS 48 2.661 12.312 7.113 392 HE2 LYS 48 HE2 LYS 48 1.363 12.051 9.204 393 HE3 LYS 48 HE3 LYS 48 1.990 10.407 9.400 394 HZ1 LYS 48 HZ1 LYS 48 4.218 11.341 9.572 395 HZ2 LYS 48 HZ2 LYS 48 3.631 12.863 9.362 396 HZ3 LYS 48 HZ3 LYS 48 3.250 12.053 10.701 397 H GLN 49 H GLN 49 -2.049 10.038 5.321 398 HA GLN 49 HA GLN 49 -2.795 7.724 3.742 399 HB2 GLN 49 HB2 GLN 49 -3.367 10.655 3.144 400 HB3 GLN 49 HB3 GLN 49 -4.250 9.245 2.588 401 HG2 GLN 49 HG2 GLN 49 -5.645 9.970 4.267 402 HG3 GLN 49 HG3 GLN 49 -4.695 8.789 5.155 403 HE21 GLN 49 HE21 GLN 49 -3.614 11.309 7.443 404 HE22 GLN 49 HE22 GLN 49 -3.871 9.600 7.200 405 H LEU 50 H LEU 50 -2.027 7.153 1.725 406 HA LEU 50 HA LEU 50 0.169 8.790 0.546 407 HB2 LEU 50 HB2 LEU 50 -0.124 5.812 0.176 408 HB3 LEU 50 HB3 LEU 50 1.295 6.827 -0.054 409 HG LEU 50 HG LEU 50 0.088 5.986 2.628 410 HD11 LEU 50 HD11 LEU 50 1.116 4.150 1.395 411 HD12 LEU 50 HD12 LEU 50 2.578 5.099 1.128 412 HD13 LEU 50 HD13 LEU 50 2.137 4.592 2.765 413 HD21 LEU 50 HD21 LEU 50 1.331 8.234 2.658 414 HD22 LEU 50 HD22 LEU 50 1.991 6.982 3.707 415 HD23 LEU 50 HD23 LEU 50 2.762 7.327 2.148 416 H GLU 51 H GLU 51 0.262 8.741 -1.843 417 HA GLU 51 HA GLU 51 -1.899 7.419 -3.271 418 HB2 GLU 51 HB2 GLU 51 -2.765 9.412 -4.283 419 HB3 GLU 51 HB3 GLU 51 -2.945 9.540 -2.533 420 HG2 GLU 51 HG2 GLU 51 -0.893 10.990 -2.487 421 HG3 GLU 51 HG3 GLU 51 -0.836 10.903 -4.254 422 H ASP 52 H ASP 52 -1.642 8.114 -5.654 423 HA ASP 52 HA ASP 52 0.952 7.311 -6.486 424 HB2 ASP 52 HB2 ASP 52 0.013 7.388 -8.733 425 HB3 ASP 52 HB3 ASP 52 -1.071 6.571 -7.621 426 H GLY 53 H GLY 53 2.175 8.344 -8.133 427 HA2 GLY 53 HA2 GLY 53 3.035 10.198 -9.283 428 HA3 GLY 53 HA3 GLY 53 2.296 11.296 -8.114 429 H ARG 54 H ARG 54 3.213 9.579 -5.766 430 HA ARG 54 HA ARG 54 6.107 10.379 -5.856 431 HB2 ARG 54 HB2 ARG 54 4.123 10.455 -3.584 432 HB3 ARG 54 HB3 ARG 54 5.865 10.520 -3.325 433 HG2 ARG 54 HG2 ARG 54 6.009 12.460 -4.928 434 HG3 ARG 54 HG3 ARG 54 4.242 12.423 -5.034 435 HD2 ARG 54 HD2 ARG 54 4.443 12.569 -2.367 436 HD3 ARG 54 HD3 ARG 54 6.021 13.293 -2.768 437 HE ARG 54 HE ARG 54 3.903 14.409 -4.368 438 HH11 ARG 54 HH11 ARG 54 5.186 14.562 -1.075 439 HH12 ARG 54 HH12 ARG 54 4.484 16.118 -0.748 440 HH21 ARG 54 HH21 ARG 54 3.117 16.458 -4.007 441 HH22 ARG 54 HH22 ARG 54 3.486 17.333 -2.549 442 H THR 55 H THR 55 7.474 9.207 -4.132 443 HA THR 55 HA THR 55 7.123 6.293 -4.548 444 HB THR 55 HB THR 55 9.555 6.205 -4.624 445 HG1 THR 55 HG1 THR 55 9.434 9.036 -4.202 446 HG21 THR 55 HG21 THR 55 10.021 7.321 -6.721 447 HG22 THR 55 HG22 THR 55 8.408 6.603 -6.766 448 HG23 THR 55 HG23 THR 55 8.597 8.359 -6.549 449 H LEU 56 H LEU 56 8.669 5.023 -3.044 450 HA LEU 56 HA LEU 56 7.655 5.024 -0.453 451 HB2 LEU 56 HB2 LEU 56 9.887 3.670 -1.873 452 HB3 LEU 56 HB3 LEU 56 10.214 3.924 -0.178 453 HG LEU 56 HG LEU 56 7.691 2.921 0.037 454 HD11 LEU 56 HD11 LEU 56 8.979 1.302 -2.207 455 HD12 LEU 56 HD12 LEU 56 7.390 1.057 -1.459 456 HD13 LEU 56 HD13 LEU 56 7.696 2.469 -2.490 457 HD21 LEU 56 HD21 LEU 56 10.241 1.289 -0.149 458 HD22 LEU 56 HD22 LEU 56 9.677 2.191 1.283 459 HD23 LEU 56 HD23 LEU 56 8.738 0.820 0.682 460 H SER 57 H SER 57 10.778 6.459 -1.547 461 HA SER 57 HA SER 57 11.534 7.266 1.087 462 HB2 SER 57 HB2 SER 57 12.847 7.152 -1.347 463 HB3 SER 57 HB3 SER 57 12.658 8.897 -1.118 464 HG SER 57 HG SER 57 14.197 8.751 0.311 465 H ASP 58 H ASP 58 9.538 8.904 -1.416 466 HA ASP 58 HA ASP 58 9.634 11.531 -0.323 467 HB2 ASP 58 HB2 ASP 58 7.366 10.091 -1.739 468 HB3 ASP 58 HB3 ASP 58 7.331 11.784 -1.297 469 H TYR 59 H TYR 59 7.449 8.796 0.275 470 HA TYR 59 HA TYR 59 6.129 10.121 2.508 471 HB2 TYR 59 HB2 TYR 59 5.923 7.377 1.234 472 HB3 TYR 59 HB3 TYR 59 4.972 7.856 2.637 473 HD1 TYR 59 HD1 TYR 59 3.607 10.088 2.465 474 HD2 TYR 59 HD2 TYR 59 5.020 7.852 -0.953 475 HE1 TYR 59 HE1 TYR 59 1.826 11.087 1.077 476 HE2 TYR 59 HE2 TYR 59 3.241 8.870 -2.342 477 HH TYR 59 HH TYR 59 1.617 10.711 -2.422 478 H ASN 60 H ASN 60 9.127 8.817 2.382 479 HA ASN 60 HA ASN 60 10.636 7.990 3.816 480 HB2 ASN 60 HB2 ASN 60 10.096 10.103 4.877 481 HB3 ASN 60 HB3 ASN 60 8.842 9.326 5.848 482 HD21 ASN 60 HD21 ASN 60 11.355 9.334 8.349 483 HD22 ASN 60 HD22 ASN 60 9.919 10.122 7.700 484 H ILE 61 H ILE 61 9.017 6.063 2.949 485 HA ILE 61 HA ILE 61 8.152 4.356 5.198 486 HB ILE 61 HB ILE 61 8.105 4.046 2.163 487 HG12 ILE 61 HG12 ILE 61 5.748 4.391 4.059 488 HG13 ILE 61 HG13 ILE 61 6.540 5.775 3.317 489 HG21 ILE 61 HG21 ILE 61 6.834 2.238 4.281 490 HG22 ILE 61 HG22 ILE 61 6.687 2.057 2.521 491 HG23 ILE 61 HG23 ILE 61 8.248 1.817 3.291 492 HD11 ILE 61 HD11 ILE 61 4.614 5.251 2.042 493 HD12 ILE 61 HD12 ILE 61 6.036 4.862 1.067 494 HD13 ILE 61 HD13 ILE 61 5.103 3.559 1.841 495 H GLN 62 H GLN 62 9.633 2.973 6.096 496 HA GLN 62 HA GLN 62 12.196 2.532 4.649 497 HB2 GLN 62 HB2 GLN 62 11.638 2.388 7.637 498 HB3 GLN 62 HB3 GLN 62 13.191 2.083 6.852 499 HG2 GLN 62 HG2 GLN 62 11.696 4.724 7.003 500 HG3 GLN 62 HG3 GLN 62 13.271 4.320 7.689 501 HE21 GLN 62 HE21 GLN 62 13.347 6.122 4.200 502 HE22 GLN 62 HE22 GLN 62 12.282 6.430 5.557 503 H LYS 63 H LYS 63 13.272 0.377 5.539 504 HA LYS 63 HA LYS 63 11.765 -1.640 4.222 505 HB2 LYS 63 HB2 LYS 63 13.621 -3.107 4.728 506 HB3 LYS 63 HB3 LYS 63 14.184 -1.552 4.154 507 HG2 LYS 63 HG2 LYS 63 14.680 -0.891 6.529 508 HG3 LYS 63 HG3 LYS 63 14.245 -2.537 7.037 509 HD2 LYS 63 HD2 LYS 63 16.028 -3.469 5.610 510 HD3 LYS 63 HD3 LYS 63 16.386 -1.849 4.976 511 HE2 LYS 63 HE2 LYS 63 16.897 -1.131 7.356 512 HE3 LYS 63 HE3 LYS 63 16.779 -2.827 7.838 513 HZ1 LYS 63 HZ1 LYS 63 19.050 -2.116 7.373 514 HZ2 LYS 63 HZ2 LYS 63 18.635 -3.277 6.270 515 HZ3 LYS 63 HZ3 LYS 63 18.660 -1.673 5.872 516 H GLU 64 H GLU 64 11.121 -3.671 4.949 517 HA GLU 64 HA GLU 64 9.621 -4.883 5.982 518 HB2 GLU 64 HB2 GLU 64 11.715 -4.466 8.136 519 HB3 GLU 64 HB3 GLU 64 10.381 -5.610 8.297 520 HG2 GLU 64 HG2 GLU 64 12.158 -6.882 7.506 521 HG3 GLU 64 HG3 GLU 64 11.058 -6.709 6.155 522 H SER 65 H SER 65 8.722 -2.182 5.838 523 HA SER 65 HA SER 65 7.452 -1.528 8.375 524 HB2 SER 65 HB2 SER 65 6.345 0.227 6.837 525 HB3 SER 65 HB3 SER 65 8.082 0.358 7.156 526 HG SER 65 HG SER 65 8.524 -0.048 5.151 527 H THR 66 H THR 66 4.952 -1.244 8.415 528 HA THR 66 HA THR 66 3.627 -3.320 6.751 529 HB THR 66 HB THR 66 3.105 -2.909 9.705 530 HG1 THR 66 HG1 THR 66 5.041 -3.999 9.395 531 HG21 THR 66 HG21 THR 66 2.082 -4.953 7.665 532 HG22 THR 66 HG22 THR 66 1.705 -4.927 9.398 533 HG23 THR 66 HG23 THR 66 1.138 -3.613 8.339 534 H LEU 67 H LEU 67 2.365 -2.313 5.448 535 HA LEU 67 HA LEU 67 1.136 0.283 6.206 536 HB2 LEU 67 HB2 LEU 67 1.532 -1.128 3.529 537 HB3 LEU 67 HB3 LEU 67 0.600 0.348 3.759 538 HG LEU 67 HG LEU 67 2.720 1.360 4.823 539 HD11 LEU 67 HD11 LEU 67 3.977 -1.055 3.458 540 HD12 LEU 67 HD12 LEU 67 4.873 0.438 3.802 541 HD13 LEU 67 HD13 LEU 67 4.217 -0.500 5.125 542 HD21 LEU 67 HD21 LEU 67 3.577 2.029 2.625 543 HD22 LEU 67 HD22 LEU 67 2.718 0.677 1.862 544 HD23 LEU 67 HD23 LEU 67 1.812 2.002 2.631 545 H HIS 68 H HIS 68 -1.109 0.625 5.514 546 HA HIS 68 HA HIS 68 -2.841 -1.790 5.885 547 HB2 HIS 68 HB2 HIS 68 -3.000 1.010 7.049 548 HB3 HIS 68 HB3 HIS 68 -4.455 0.061 6.785 549 HD1 HIS 68 HD1 HIS 68 -1.335 0.009 9.077 550 HD2 HIS 68 HD2 HIS 68 -5.075 -1.852 8.445 551 HE1 HIS 68 HE1 HIS 68 -1.874 -1.252 11.194 552 H LEU 69 H LEU 69 -4.807 -1.779 4.770 553 HA LEU 69 HA LEU 69 -5.110 0.111 2.497 554 HB2 LEU 69 HB2 LEU 69 -5.406 -2.896 2.775 555 HB3 LEU 69 HB3 LEU 69 -6.188 -2.033 1.474 556 HG LEU 69 HG LEU 69 -3.199 -1.763 1.938 557 HD11 LEU 69 HD11 LEU 69 -2.881 -3.510 0.257 558 HD12 LEU 69 HD12 LEU 69 -3.725 -4.135 1.664 559 HD13 LEU 69 HD13 LEU 69 -4.633 -3.771 0.169 560 HD21 LEU 69 HD21 LEU 69 -4.967 -1.313 -0.515 561 HD22 LEU 69 HD22 LEU 69 -4.232 -0.050 0.475 562 HD23 LEU 69 HD23 LEU 69 -3.202 -1.134 -0.465 563 H VAL 70 H VAL 70 -7.077 1.174 2.554 564 HA VAL 70 HA VAL 70 -9.297 -0.025 4.092 565 HB VAL 70 HB VAL 70 -9.729 2.064 5.306 566 HG11 VAL 70 HG11 VAL 70 -6.831 1.290 5.805 567 HG12 VAL 70 HG12 VAL 70 -7.972 2.042 6.940 568 HG13 VAL 70 HG13 VAL 70 -8.248 0.382 6.387 569 HG21 VAL 70 HG21 VAL 70 -7.181 3.132 4.024 570 HG22 VAL 70 HG22 VAL 70 -8.826 3.727 3.759 571 HG23 VAL 70 HG23 VAL 70 -8.075 3.919 5.343 572 H LEU 71 H LEU 71 -11.355 1.345 3.919 573 HA LEU 71 HA LEU 71 -11.704 2.776 1.403 574 HB2 LEU 71 HB2 LEU 71 -13.462 1.467 0.567 575 HB3 LEU 71 HB3 LEU 71 -12.113 0.378 0.800 576 HG LEU 71 HG LEU 71 -14.466 0.613 2.754 577 HD11 LEU 71 HD11 LEU 71 -15.323 -1.431 1.747 578 HD12 LEU 71 HD12 LEU 71 -15.260 -0.133 0.554 579 HD13 LEU 71 HD13 LEU 71 -14.021 -1.417 0.533 580 HD21 LEU 71 HD21 LEU 71 -13.659 -1.705 3.419 581 HD22 LEU 71 HD22 LEU 71 -12.191 -1.385 2.466 582 HD23 LEU 71 HD23 LEU 71 -12.588 -0.392 3.875 583 H ARG 72 H ARG 72 -14.493 3.102 1.490 584 HA ARG 72 HA ARG 72 -15.370 3.667 4.193 585 HB2 ARG 72 HB2 ARG 72 -13.790 5.667 3.148 586 HB3 ARG 72 HB3 ARG 72 -15.301 6.100 2.397 587 HG2 ARG 72 HG2 ARG 72 -15.471 7.359 4.304 588 HG3 ARG 72 HG3 ARG 72 -16.210 5.875 4.920 589 HD2 ARG 72 HD2 ARG 72 -13.757 5.232 5.569 590 HD3 ARG 72 HD3 ARG 72 -13.383 6.937 5.322 591 HE ARG 72 HE ARG 72 -15.431 7.184 7.000 592 HH11 ARG 72 HH11 ARG 72 -12.649 4.881 7.286 593 HH12 ARG 72 HH12 ARG 72 -12.534 5.160 8.965 594 HH21 ARG 72 HH21 ARG 72 -15.436 7.154 9.243 595 HH22 ARG 72 HH22 ARG 72 -14.404 6.041 10.113 596 H LEU 73 H LEU 73 -17.670 3.237 4.001 597 HA LEU 73 HA LEU 73 -18.939 3.873 1.394 598 HB2 LEU 73 HB2 LEU 73 -18.758 1.167 2.745 599 HB3 LEU 73 HB3 LEU 73 -20.188 1.580 1.808 600 HG LEU 73 HG LEU 73 -17.368 1.696 0.656 601 HD11 LEU 73 HD11 LEU 73 -19.481 -0.483 0.462 602 HD12 LEU 73 HD12 LEU 73 -17.977 -0.422 -0.487 603 HD13 LEU 73 HD13 LEU 73 -17.907 -0.601 1.269 604 HD21 LEU 73 HD21 LEU 73 -20.119 1.736 -0.688 605 HD22 LEU 73 HD22 LEU 73 -18.996 3.110 -0.592 606 HD23 LEU 73 HD23 LEU 73 -18.555 1.690 -1.523 607 H ARG 74 H ARG 74 -21.031 4.462 1.471 608 HA ARG 74 HA ARG 74 -22.109 5.093 4.169 609 HB2 ARG 74 HB2 ARG 74 -23.086 5.968 1.438 610 HB3 ARG 74 HB3 ARG 74 -23.547 6.652 2.983 611 HG2 ARG 74 HG2 ARG 74 -20.805 6.858 1.648 612 HG3 ARG 74 HG3 ARG 74 -22.003 8.132 1.777 613 HD2 ARG 74 HD2 ARG 74 -20.608 6.806 4.144 614 HD3 ARG 74 HD3 ARG 74 -20.138 8.338 3.443 615 HE ARG 74 HE ARG 74 -22.399 7.822 5.205 616 HH11 ARG 74 HH11 ARG 74 -21.027 10.073 2.829 617 HH12 ARG 74 HH12 ARG 74 -21.966 11.421 3.343 618 HH21 ARG 74 HH21 ARG 74 -23.596 9.569 5.931 619 HH22 ARG 74 HH22 ARG 74 -23.467 11.149 5.247 620 H GLY 75 H GLY 75 -22.636 2.972 1.392 621 HA2 GLY 75 HA2 GLY 75 -25.416 2.414 2.053 622 HA3 GLY 75 HA3 GLY 75 -24.399 1.572 0.877 623 H GLY 76 H GLY 76 -23.070 1.845 4.135 624 HA2 GLY 76 HA2 GLY 76 -24.179 -0.335 5.458 625 HA3 GLY 76 HA3 GLY 76 -22.802 -0.931 4.508 Start of MODEL 19 1 H1 MET 1 H MET 1 14.619 -5.294 -1.144 2 HA MET 1 HA MET 1 14.034 -4.376 1.605 3 HB2 MET 1 HB2 MET 1 14.981 -2.498 0.393 4 HB3 MET 1 HB3 MET 1 13.868 -2.733 -0.959 5 HG2 MET 1 HG2 MET 1 11.946 -2.341 0.647 6 HG3 MET 1 HG3 MET 1 13.145 -1.973 1.883 7 HE1 MET 1 HE1 MET 1 11.898 1.596 1.437 8 HE2 MET 1 HE2 MET 1 11.115 0.039 1.816 9 HE3 MET 1 HE3 MET 1 12.678 0.465 2.548 10 H GLN 2 H GLN 2 12.197 -5.469 2.183 11 HA GLN 2 HA GLN 2 10.076 -5.542 0.134 12 HB2 GLN 2 HB2 GLN 2 9.347 -7.699 0.988 13 HB3 GLN 2 HB3 GLN 2 10.931 -7.784 0.231 14 HG2 GLN 2 HG2 GLN 2 12.054 -8.045 2.325 15 HG3 GLN 2 HG3 GLN 2 10.635 -7.527 3.235 16 HE21 GLN 2 HE21 GLN 2 9.857 -10.914 3.829 17 HE22 GLN 2 HE22 GLN 2 10.434 -9.400 4.475 18 H ILE 3 H ILE 3 7.918 -5.522 1.122 19 HA ILE 3 HA ILE 3 7.888 -4.359 3.862 20 HB ILE 3 HB ILE 3 6.303 -2.622 3.182 21 HG12 ILE 3 HG12 ILE 3 6.987 -3.295 0.282 22 HG13 ILE 3 HG13 ILE 3 5.483 -3.755 1.075 23 HG21 ILE 3 HG21 ILE 3 7.932 -1.054 2.326 24 HG22 ILE 3 HG22 ILE 3 8.766 -2.190 3.387 25 HG23 ILE 3 HG23 ILE 3 8.916 -2.365 1.636 26 HD11 ILE 3 HD11 ILE 3 5.136 -1.761 -0.252 27 HD12 ILE 3 HD12 ILE 3 4.922 -1.381 1.462 28 HD13 ILE 3 HD13 ILE 3 6.405 -0.888 0.616 29 H PHE 4 H PHE 4 5.585 -4.349 4.682 30 HA PHE 4 HA PHE 4 4.170 -6.716 3.696 31 HB2 PHE 4 HB2 PHE 4 4.273 -5.556 6.493 32 HB3 PHE 4 HB3 PHE 4 3.272 -6.910 6.016 33 HD1 PHE 4 HD1 PHE 4 4.927 -8.841 4.681 34 HD2 PHE 4 HD2 PHE 4 5.963 -6.186 7.937 35 HE1 PHE 4 HE1 PHE 4 6.645 -10.431 5.438 36 HE2 PHE 4 HE2 PHE 4 7.658 -7.813 8.702 37 HZ PHE 4 HZ PHE 4 8.018 -9.929 7.460 38 H VAL 5 H VAL 5 1.852 -6.585 3.710 39 HA VAL 5 HA VAL 5 0.692 -3.898 4.192 40 HB VAL 5 HB VAL 5 0.073 -5.468 1.661 41 HG11 VAL 5 HG11 VAL 5 -1.740 -4.028 2.464 42 HG12 VAL 5 HG12 VAL 5 -0.627 -2.655 2.611 43 HG13 VAL 5 HG13 VAL 5 -1.019 -3.324 1.013 44 HG21 VAL 5 HG21 VAL 5 1.271 -3.680 0.412 45 HG22 VAL 5 HG22 VAL 5 1.891 -3.036 1.948 46 HG23 VAL 5 HG23 VAL 5 2.365 -4.653 1.389 47 H LYS 6 H LYS 6 -1.087 -4.114 5.417 48 HA LYS 6 HA LYS 6 -2.162 -6.822 5.955 49 HB2 LYS 6 HB2 LYS 6 -1.498 -5.401 7.863 50 HB3 LYS 6 HB3 LYS 6 -2.545 -4.105 7.297 51 HG2 LYS 6 HG2 LYS 6 -3.609 -5.232 9.161 52 HG3 LYS 6 HG3 LYS 6 -4.543 -5.499 7.699 53 HD2 LYS 6 HD2 LYS 6 -4.485 -7.574 8.886 54 HD3 LYS 6 HD3 LYS 6 -3.484 -7.762 7.480 55 HE2 LYS 6 HE2 LYS 6 -2.226 -8.788 9.102 56 HE3 LYS 6 HE3 LYS 6 -1.476 -7.191 9.064 57 HZ1 LYS 6 HZ1 LYS 6 -3.512 -8.168 10.969 58 HZ2 LYS 6 HZ2 LYS 6 -1.927 -7.990 11.297 59 HZ3 LYS 6 HZ3 LYS 6 -2.869 -6.644 11.027 60 H THR 7 H THR 7 -3.964 -7.451 4.773 61 HA THR 7 HA THR 7 -5.292 -5.503 3.059 62 HB THR 7 HB THR 7 -6.662 -7.382 2.344 63 HG1 THR 7 HG1 THR 7 -7.038 -9.034 3.484 64 HG21 THR 7 HG21 THR 7 -4.341 -7.303 1.430 65 HG22 THR 7 HG22 THR 7 -3.824 -8.418 2.715 66 HG23 THR 7 HG23 THR 7 -5.008 -8.945 1.506 67 H LEU 8 H LEU 8 -7.680 -5.269 3.103 68 HA LEU 8 HA LEU 8 -8.593 -4.409 5.652 69 HB2 LEU 8 HB2 LEU 8 -10.473 -3.677 4.558 70 HB3 LEU 8 HB3 LEU 8 -9.263 -3.592 3.303 71 HG LEU 8 HG LEU 8 -11.424 -5.743 3.632 72 HD11 LEU 8 HD11 LEU 8 -12.296 -3.587 2.968 73 HD12 LEU 8 HD12 LEU 8 -11.100 -3.445 1.661 74 HD13 LEU 8 HD13 LEU 8 -12.363 -4.678 1.582 75 HD21 LEU 8 HD21 LEU 8 -9.585 -5.420 1.240 76 HD22 LEU 8 HD22 LEU 8 -9.425 -6.719 2.456 77 HD23 LEU 8 HD23 LEU 8 -10.870 -6.604 1.451 78 H THR 9 H THR 9 -8.405 -7.564 4.448 79 HA THR 9 HA THR 9 -10.664 -8.643 6.004 80 HB THR 9 HB THR 9 -9.909 -10.732 4.640 81 HG1 THR 9 HG1 THR 9 -8.889 -10.346 2.785 82 HG21 THR 9 HG21 THR 9 -11.356 -10.091 2.803 83 HG22 THR 9 HG22 THR 9 -12.014 -9.475 4.319 84 HG23 THR 9 HG23 THR 9 -11.178 -8.364 3.208 85 H GLY 10 H GLY 10 -7.256 -8.148 6.321 86 HA2 GLY 10 HA2 GLY 10 -6.233 -8.644 8.333 87 HA3 GLY 10 HA3 GLY 10 -7.190 -10.097 8.524 88 H LYS 11 H LYS 11 -5.960 -9.922 5.267 89 HA LYS 11 HA LYS 11 -4.076 -12.081 5.977 90 HB2 LYS 11 HB2 LYS 11 -4.891 -10.673 3.381 91 HB3 LYS 11 HB3 LYS 11 -3.475 -11.651 3.391 92 HG2 LYS 11 HG2 LYS 11 -6.131 -12.822 4.257 93 HG3 LYS 11 HG3 LYS 11 -5.756 -12.600 2.555 94 HD2 LYS 11 HD2 LYS 11 -4.151 -14.276 4.515 95 HD3 LYS 11 HD3 LYS 11 -5.242 -14.884 3.283 96 HE2 LYS 11 HE2 LYS 11 -2.613 -13.404 2.776 97 HE3 LYS 11 HE3 LYS 11 -2.886 -15.126 2.625 98 HZ1 LYS 11 HZ1 LYS 11 -4.128 -13.061 0.899 99 HZ2 LYS 11 HZ2 LYS 11 -2.935 -14.115 0.508 100 HZ3 LYS 11 HZ3 LYS 11 -4.446 -14.676 0.828 101 H THR 12 H THR 12 -1.671 -11.793 5.326 102 HA THR 12 HA THR 12 -0.879 -8.933 5.284 103 HB THR 12 HB THR 12 0.439 -11.228 6.763 104 HG1 THR 12 HG1 THR 12 -0.496 -10.361 8.478 105 HG21 THR 12 HG21 THR 12 1.926 -9.450 7.663 106 HG22 THR 12 HG22 THR 12 2.117 -9.605 5.910 107 HG23 THR 12 HG23 THR 12 1.166 -8.262 6.583 108 H ILE 13 H ILE 13 0.320 -8.438 3.607 109 HA ILE 13 HA ILE 13 1.099 -10.548 1.659 110 HB ILE 13 HB ILE 13 0.934 -7.545 1.224 111 HG12 ILE 13 HG12 ILE 13 -1.312 -8.072 1.992 112 HG13 ILE 13 HG13 ILE 13 -1.313 -7.737 0.295 113 HG21 ILE 13 HG21 ILE 13 2.110 -8.741 -0.538 114 HG22 ILE 13 HG22 ILE 13 0.784 -9.890 -0.715 115 HG23 ILE 13 HG23 ILE 13 0.562 -8.182 -1.153 116 HD11 ILE 13 HD11 ILE 13 -1.482 -10.499 1.602 117 HD12 ILE 13 HD12 ILE 13 -2.759 -9.627 0.739 118 HD13 ILE 13 HD13 ILE 13 -1.350 -10.222 -0.142 119 H THR 14 H THR 14 3.185 -10.245 0.673 120 HA THR 14 HA THR 14 5.294 -8.712 2.111 121 HB THR 14 HB THR 14 5.334 -11.557 0.942 122 HG1 THR 14 HG1 THR 14 4.231 -11.545 2.912 123 HG21 THR 14 HG21 THR 14 7.553 -10.288 0.905 124 HG22 THR 14 HG22 THR 14 7.500 -10.390 2.685 125 HG23 THR 14 HG23 THR 14 7.534 -11.863 1.709 126 H LEU 15 H LEU 15 6.223 -7.345 0.477 127 HA LEU 15 HA LEU 15 6.158 -8.203 -2.366 128 HB2 LEU 15 HB2 LEU 15 5.235 -5.510 -1.246 129 HB3 LEU 15 HB3 LEU 15 5.633 -5.785 -2.934 130 HG LEU 15 HG LEU 15 3.354 -7.128 -1.436 131 HD11 LEU 15 HD11 LEU 15 1.991 -5.709 -3.024 132 HD12 LEU 15 HD12 LEU 15 2.870 -4.801 -1.778 133 HD13 LEU 15 HD13 LEU 15 3.480 -4.842 -3.439 134 HD21 LEU 15 HD21 LEU 15 4.237 -7.293 -4.349 135 HD22 LEU 15 HD22 LEU 15 4.156 -8.612 -3.193 136 HD23 LEU 15 HD23 LEU 15 2.655 -7.858 -3.754 137 H GLU 16 H GLU 16 7.882 -7.424 -3.544 138 HA GLU 16 HA GLU 16 10.124 -6.261 -2.009 139 HB2 GLU 16 HB2 GLU 16 10.548 -8.300 -3.146 140 HB3 GLU 16 HB3 GLU 16 9.972 -7.656 -4.700 141 HG2 GLU 16 HG2 GLU 16 11.891 -6.248 -4.921 142 HG3 GLU 16 HG3 GLU 16 12.292 -6.384 -3.208 143 H VAL 17 H VAL 17 10.413 -4.151 -2.076 144 HA VAL 17 HA VAL 17 9.657 -2.547 -4.471 145 HB VAL 17 HB VAL 17 8.771 -0.849 -2.987 146 HG11 VAL 17 HG11 VAL 17 7.232 -2.655 -3.779 147 HG12 VAL 17 HG12 VAL 17 7.479 -3.514 -2.250 148 HG13 VAL 17 HG13 VAL 17 6.726 -1.909 -2.252 149 HG21 VAL 17 HG21 VAL 17 10.147 -1.234 -0.964 150 HG22 VAL 17 HG22 VAL 17 8.425 -1.243 -0.581 151 HG23 VAL 17 HG23 VAL 17 9.312 -2.777 -0.679 152 H GLU 18 H GLU 18 10.641 -0.087 -3.570 153 HA GLU 18 HA GLU 18 13.315 -0.390 -2.557 154 HB2 GLU 18 HB2 GLU 18 14.456 0.548 -4.398 155 HB3 GLU 18 HB3 GLU 18 13.662 -0.914 -4.960 156 HG2 GLU 18 HG2 GLU 18 12.037 0.318 -6.211 157 HG3 GLU 18 HG3 GLU 18 12.436 1.836 -5.399 158 HA PRO 19 HA PRO 19 12.251 3.560 -0.953 159 HB2 PRO 19 HB2 PRO 19 14.816 4.744 -2.028 160 HB3 PRO 19 HB3 PRO 19 14.143 4.853 -0.373 161 HG2 PRO 19 HG2 PRO 19 16.137 3.152 -0.869 162 HG3 PRO 19 HG3 PRO 19 14.732 2.557 0.075 163 HD2 PRO 19 HD2 PRO 19 15.245 2.206 -2.904 164 HD3 PRO 19 HD3 PRO 19 14.816 0.956 -1.694 165 H SER 20 H SER 20 13.181 3.502 -4.375 166 HA SER 20 HA SER 20 11.782 6.091 -4.828 167 HB2 SER 20 HB2 SER 20 13.650 4.468 -6.599 168 HB3 SER 20 HB3 SER 20 13.216 6.156 -6.810 169 HG SER 20 HG SER 20 14.495 6.734 -5.182 170 H ASP 21 H ASP 21 10.487 3.351 -4.448 171 HA ASP 21 HA ASP 21 9.350 2.706 -7.083 172 HB2 ASP 21 HB2 ASP 21 10.111 1.123 -5.196 173 HB3 ASP 21 HB3 ASP 21 8.687 1.655 -4.303 174 H THR 22 H THR 22 7.263 3.616 -7.753 175 HA THR 22 HA THR 22 6.149 5.674 -6.032 176 HB THR 22 HB THR 22 4.477 5.807 -7.958 177 HG1 THR 22 HG1 THR 22 5.081 4.740 -9.836 178 HG21 THR 22 HG21 THR 22 7.421 6.131 -8.668 179 HG22 THR 22 HG22 THR 22 6.051 6.861 -9.523 180 HG23 THR 22 HG23 THR 22 6.386 7.332 -7.859 181 H ILE 23 H ILE 23 3.920 5.775 -5.364 182 HA ILE 23 HA ILE 23 3.010 3.331 -4.164 183 HB ILE 23 HB ILE 23 1.613 5.955 -4.705 184 HG12 ILE 23 HG12 ILE 23 3.455 6.012 -3.041 185 HG13 ILE 23 HG13 ILE 23 1.874 6.406 -2.369 186 HG21 ILE 23 HG21 ILE 23 -0.246 4.454 -4.555 187 HG22 ILE 23 HG22 ILE 23 0.467 3.583 -3.184 188 HG23 ILE 23 HG23 ILE 23 -0.122 5.245 -2.983 189 HD11 ILE 23 HD11 ILE 23 3.053 3.640 -2.050 190 HD12 ILE 23 HD12 ILE 23 3.312 4.972 -0.904 191 HD13 ILE 23 HD13 ILE 23 1.677 4.363 -1.210 192 H GLU 24 H GLU 24 2.333 4.686 -7.398 193 HA GLU 24 HA GLU 24 0.008 3.141 -7.872 194 HB2 GLU 24 HB2 GLU 24 1.102 5.065 -9.287 195 HB3 GLU 24 HB3 GLU 24 2.055 3.776 -10.030 196 HG2 GLU 24 HG2 GLU 24 0.150 4.142 -11.430 197 HG3 GLU 24 HG3 GLU 24 -0.151 2.614 -10.605 198 H ASN 25 H ASN 25 3.463 2.324 -8.205 199 HA ASN 25 HA ASN 25 3.057 -0.266 -9.390 200 HB2 ASN 25 HB2 ASN 25 5.342 1.126 -7.971 201 HB3 ASN 25 HB3 ASN 25 5.434 -0.603 -8.322 202 HD21 ASN 25 HD21 ASN 25 6.085 1.995 -11.329 203 HD22 ASN 25 HD22 ASN 25 5.977 2.517 -9.659 204 H VAL 26 H VAL 26 3.803 0.768 -6.016 205 HA VAL 26 HA VAL 26 3.592 -1.771 -4.838 206 HB VAL 26 HB VAL 26 2.864 0.927 -3.609 207 HG11 VAL 26 HG11 VAL 26 2.157 -0.935 -2.155 208 HG12 VAL 26 HG12 VAL 26 3.769 -1.668 -2.289 209 HG13 VAL 26 HG13 VAL 26 3.555 -0.103 -1.462 210 HG21 VAL 26 HG21 VAL 26 5.165 0.964 -4.574 211 HG22 VAL 26 HG22 VAL 26 5.197 1.006 -2.819 212 HG23 VAL 26 HG23 VAL 26 5.556 -0.503 -3.682 213 H LYS 27 H LYS 27 0.994 0.587 -5.521 214 HA LYS 27 HA LYS 27 -1.072 -0.954 -4.241 215 HB2 LYS 27 HB2 LYS 27 -0.907 1.581 -4.631 216 HB3 LYS 27 HB3 LYS 27 -1.446 1.256 -6.290 217 HG2 LYS 27 HG2 LYS 27 -3.518 0.237 -5.323 218 HG3 LYS 27 HG3 LYS 27 -2.892 0.520 -3.695 219 HD2 LYS 27 HD2 LYS 27 -4.452 2.254 -4.170 220 HD3 LYS 27 HD3 LYS 27 -2.841 2.989 -4.211 221 HE2 LYS 27 HE2 LYS 27 -2.839 3.177 -6.581 222 HE3 LYS 27 HE3 LYS 27 -4.096 1.948 -6.772 223 HZ1 LYS 27 HZ1 LYS 27 -4.663 4.544 -5.493 224 HZ2 LYS 27 HZ2 LYS 27 -4.805 4.268 -7.099 225 HZ3 LYS 27 HZ3 LYS 27 -5.723 3.391 -6.020 226 H ALA 28 H ALA 28 0.482 -1.259 -7.303 227 HA ALA 28 HA ALA 28 -1.785 -2.658 -8.584 228 HB1 ALA 28 HB1 ALA 28 1.060 -2.141 -9.569 229 HB2 ALA 28 HB2 ALA 28 -0.288 -2.820 -10.504 230 HB3 ALA 28 HB3 ALA 28 -0.370 -1.141 -9.932 231 H LYS 29 H LYS 29 1.539 -3.269 -7.356 232 HA LYS 29 HA LYS 29 1.724 -5.998 -7.841 233 HB2 LYS 29 HB2 LYS 29 2.845 -4.281 -5.597 234 HB3 LYS 29 HB3 LYS 29 3.205 -6.001 -5.752 235 HG2 LYS 29 HG2 LYS 29 4.057 -5.574 -8.084 236 HG3 LYS 29 HG3 LYS 29 3.893 -3.838 -7.770 237 HD2 LYS 29 HD2 LYS 29 5.372 -4.220 -5.706 238 HD3 LYS 29 HD3 LYS 29 5.683 -5.844 -6.320 239 HE2 LYS 29 HE2 LYS 29 6.324 -3.208 -7.727 240 HE3 LYS 29 HE3 LYS 29 7.479 -4.247 -6.886 241 HZ1 LYS 29 HZ1 LYS 29 7.004 -5.962 -8.547 242 HZ2 LYS 29 HZ2 LYS 29 6.038 -4.872 -9.382 243 HZ3 LYS 29 HZ3 LYS 29 7.625 -4.583 -9.187 244 H ILE 30 H ILE 30 0.028 -4.444 -5.096 245 HA ILE 30 HA ILE 30 -0.505 -6.890 -3.714 246 HB ILE 30 HB ILE 30 -2.343 -5.620 -2.592 247 HG12 ILE 30 HG12 ILE 30 -1.401 -3.293 -4.304 248 HG13 ILE 30 HG13 ILE 30 -2.939 -4.137 -4.520 249 HG21 ILE 30 HG21 ILE 30 -0.882 -4.196 -1.308 250 HG22 ILE 30 HG22 ILE 30 -0.009 -5.656 -1.758 251 HG23 ILE 30 HG23 ILE 30 0.302 -4.127 -2.625 252 HD11 ILE 30 HD11 ILE 30 -2.117 -2.450 -2.136 253 HD12 ILE 30 HD12 ILE 30 -3.346 -2.083 -3.357 254 HD13 ILE 30 HD13 ILE 30 -3.612 -3.421 -2.226 255 H GLN 31 H GLN 31 -2.081 -5.456 -6.585 256 HA GLN 31 HA GLN 31 -4.480 -7.057 -6.331 257 HB2 GLN 31 HB2 GLN 31 -3.469 -5.835 -8.913 258 HB3 GLN 31 HB3 GLN 31 -5.125 -6.178 -8.416 259 HG2 GLN 31 HG2 GLN 31 -4.844 -4.399 -6.611 260 HG3 GLN 31 HG3 GLN 31 -3.297 -3.992 -7.348 261 HE21 GLN 31 HE21 GLN 31 -6.721 -2.565 -8.962 262 HE22 GLN 31 HE22 GLN 31 -6.690 -3.639 -7.563 263 H ASP 32 H ASP 32 -1.228 -7.570 -7.526 264 HA ASP 32 HA ASP 32 -1.918 -9.808 -9.310 265 HB2 ASP 32 HB2 ASP 32 0.095 -8.931 -9.960 266 HB3 ASP 32 HB3 ASP 32 0.584 -8.485 -8.339 267 H LYS 33 H LYS 33 -0.769 -9.374 -5.924 268 HA LYS 33 HA LYS 33 -0.877 -12.267 -5.486 269 HB2 LYS 33 HB2 LYS 33 -0.282 -10.001 -3.551 270 HB3 LYS 33 HB3 LYS 33 -0.141 -11.734 -3.209 271 HG2 LYS 33 HG2 LYS 33 1.417 -11.856 -5.252 272 HG3 LYS 33 HG3 LYS 33 1.482 -10.092 -5.196 273 HD2 LYS 33 HD2 LYS 33 2.381 -10.161 -2.927 274 HD3 LYS 33 HD3 LYS 33 2.179 -11.904 -2.855 275 HE2 LYS 33 HE2 LYS 33 4.001 -10.535 -4.889 276 HE3 LYS 33 HE3 LYS 33 4.549 -11.053 -3.289 277 HZ1 LYS 33 HZ1 LYS 33 3.832 -13.317 -3.887 278 HZ2 LYS 33 HZ2 LYS 33 3.526 -12.818 -5.427 279 HZ3 LYS 33 HZ3 LYS 33 5.056 -12.744 -4.822 280 H GLU 34 H GLU 34 -3.307 -9.709 -4.934 281 HA GLU 34 HA GLU 34 -5.015 -11.771 -3.664 282 HB2 GLU 34 HB2 GLU 34 -3.835 -10.076 -2.011 283 HB3 GLU 34 HB3 GLU 34 -4.902 -8.880 -2.708 284 HG2 GLU 34 HG2 GLU 34 -6.056 -9.536 -0.811 285 HG3 GLU 34 HG3 GLU 34 -6.832 -10.540 -2.030 286 H GLY 35 H GLY 35 -7.309 -11.378 -4.194 287 HA2 GLY 35 HA2 GLY 35 -7.659 -9.946 -6.699 288 HA3 GLY 35 HA3 GLY 35 -8.856 -10.905 -5.822 289 H ILE 36 H ILE 36 -7.356 -7.711 -6.138 290 HA ILE 36 HA ILE 36 -9.727 -6.501 -4.840 291 HB ILE 36 HB ILE 36 -8.066 -4.833 -3.782 292 HG12 ILE 36 HG12 ILE 36 -6.252 -7.285 -3.777 293 HG13 ILE 36 HG13 ILE 36 -5.977 -5.858 -4.774 294 HG21 ILE 36 HG21 ILE 36 -8.381 -7.573 -2.503 295 HG22 ILE 36 HG22 ILE 36 -8.246 -5.991 -1.692 296 HG23 ILE 36 HG23 ILE 36 -9.682 -6.360 -2.629 297 HD11 ILE 36 HD11 ILE 36 -4.584 -5.725 -2.841 298 HD12 ILE 36 HD12 ILE 36 -5.834 -4.474 -2.691 299 HD13 ILE 36 HD13 ILE 36 -5.937 -5.982 -1.741 300 HA PRO 37 HA PRO 37 -9.036 -4.303 -8.760 301 HB2 PRO 37 HB2 PRO 37 -11.637 -3.006 -7.994 302 HB3 PRO 37 HB3 PRO 37 -11.188 -3.792 -9.537 303 HG2 PRO 37 HG2 PRO 37 -12.872 -5.007 -7.779 304 HG3 PRO 37 HG3 PRO 37 -11.619 -5.951 -8.654 305 HD2 PRO 37 HD2 PRO 37 -11.493 -4.846 -5.827 306 HD3 PRO 37 HD3 PRO 37 -11.087 -6.485 -6.436 307 HA PRO 38 HA PRO 38 -7.867 -0.347 -6.938 308 HB2 PRO 38 HB2 PRO 38 -7.604 1.347 -9.031 309 HB3 PRO 38 HB3 PRO 38 -6.661 -0.167 -8.974 310 HG2 PRO 38 HG2 PRO 38 -9.255 0.346 -10.454 311 HG3 PRO 38 HG3 PRO 38 -7.756 -0.404 -11.086 312 HD2 PRO 38 HD2 PRO 38 -9.929 -1.846 -10.102 313 HD3 PRO 38 HD3 PRO 38 -8.254 -2.453 -10.072 314 H ASP 39 H ASP 39 -10.363 -0.915 -6.304 315 HA ASP 39 HA ASP 39 -11.878 1.589 -6.142 316 HB2 ASP 39 HB2 ASP 39 -12.849 0.177 -8.003 317 HB3 ASP 39 HB3 ASP 39 -13.086 -1.118 -6.847 318 H GLN 40 H GLN 40 -12.617 1.752 -4.089 319 HA GLN 40 HA GLN 40 -12.582 1.515 -1.828 320 HB2 GLN 40 HB2 GLN 40 -13.348 -1.380 -2.403 321 HB3 GLN 40 HB3 GLN 40 -13.688 -0.453 -0.954 322 HG2 GLN 40 HG2 GLN 40 -14.948 -0.210 -3.684 323 HG3 GLN 40 HG3 GLN 40 -15.718 -0.618 -2.158 324 HE21 GLN 40 HE21 GLN 40 -16.027 3.130 -3.300 325 HE22 GLN 40 HE22 GLN 40 -15.667 1.759 -4.329 326 H ASN 41 H ASN 41 -10.071 1.429 -2.877 327 HA ASN 41 HA ASN 41 -8.602 -0.096 -0.830 328 HB2 ASN 41 HB2 ASN 41 -8.360 -0.512 -3.860 329 HB3 ASN 41 HB3 ASN 41 -6.979 -0.726 -2.797 330 HD21 ASN 41 HD21 ASN 41 -9.949 -3.578 -2.793 331 HD22 ASN 41 HD22 ASN 41 -10.129 -2.134 -3.727 332 H ARG 42 H ARG 42 -7.049 1.286 -0.091 333 HA ARG 42 HA ARG 42 -5.647 3.226 -1.758 334 HB2 ARG 42 HB2 ARG 42 -7.669 4.479 -1.054 335 HB3 ARG 42 HB3 ARG 42 -7.350 4.046 0.641 336 HG2 ARG 42 HG2 ARG 42 -5.243 5.328 0.573 337 HG3 ARG 42 HG3 ARG 42 -5.546 5.763 -1.116 338 HD2 ARG 42 HD2 ARG 42 -7.493 6.435 1.127 339 HD3 ARG 42 HD3 ARG 42 -6.148 7.485 0.694 340 HE ARG 42 HE ARG 42 -8.628 7.052 -0.780 341 HH11 ARG 42 HH11 ARG 42 -5.369 8.441 -0.919 342 HH12 ARG 42 HH12 ARG 42 -5.749 9.580 -2.170 343 HH21 ARG 42 HH21 ARG 42 -9.092 8.387 -2.562 344 HH22 ARG 42 HH22 ARG 42 -7.931 9.535 -3.144 345 H LEU 43 H LEU 43 -3.574 3.325 -0.885 346 HA LEU 43 HA LEU 43 -3.020 1.480 1.342 347 HB2 LEU 43 HB2 LEU 43 -1.834 1.629 -0.956 348 HB3 LEU 43 HB3 LEU 43 -1.092 3.104 -0.357 349 HG LEU 43 HG LEU 43 -0.072 1.745 1.520 350 HD11 LEU 43 HD11 LEU 43 -1.620 -0.181 1.591 351 HD12 LEU 43 HD12 LEU 43 -1.137 -0.636 -0.059 352 HD13 LEU 43 HD13 LEU 43 0.032 -0.707 1.273 353 HD21 LEU 43 HD21 LEU 43 1.591 0.619 -0.005 354 HD22 LEU 43 HD22 LEU 43 0.477 0.854 -1.361 355 HD23 LEU 43 HD23 LEU 43 1.197 2.246 -0.542 356 H ILE 44 H ILE 44 -2.149 2.090 3.333 357 HA ILE 44 HA ILE 44 -1.807 4.987 3.955 358 HB ILE 44 HB ILE 44 -3.119 2.950 5.774 359 HG12 ILE 44 HG12 ILE 44 -4.640 3.103 3.860 360 HG13 ILE 44 HG13 ILE 44 -5.307 3.707 5.354 361 HG21 ILE 44 HG21 ILE 44 -3.973 4.969 6.972 362 HG22 ILE 44 HG22 ILE 44 -2.206 4.891 6.931 363 HG23 ILE 44 HG23 ILE 44 -3.076 5.992 5.850 364 HD11 ILE 44 HD11 ILE 44 -5.862 5.071 3.283 365 HD12 ILE 44 HD12 ILE 44 -5.199 5.975 4.647 366 HD13 ILE 44 HD13 ILE 44 -4.178 5.582 3.244 367 H PHE 45 H PHE 45 -0.057 5.355 5.376 368 HA PHE 45 HA PHE 45 1.278 3.008 6.639 369 HB2 PHE 45 HB2 PHE 45 2.567 3.323 4.622 370 HB3 PHE 45 HB3 PHE 45 2.566 5.066 4.822 371 HD1 PHE 45 HD1 PHE 45 3.668 1.957 6.705 372 HD2 PHE 45 HD2 PHE 45 4.398 6.110 5.763 373 HE1 PHE 45 HE1 PHE 45 5.746 1.919 8.047 374 HE2 PHE 45 HE2 PHE 45 6.459 6.057 7.137 375 HZ PHE 45 HZ PHE 45 7.112 3.960 8.294 376 H ALA 46 H ALA 46 1.608 3.480 8.748 377 HA ALA 46 HA ALA 46 1.696 4.676 10.726 378 HB1 ALA 46 HB1 ALA 46 3.221 6.727 9.086 379 HB2 ALA 46 HB2 ALA 46 3.325 6.429 10.831 380 HB3 ALA 46 HB3 ALA 46 3.902 5.206 9.680 381 H GLY 47 H GLY 47 -0.681 5.045 9.166 382 HA2 GLY 47 HA2 GLY 47 -2.661 6.213 9.453 383 HA3 GLY 47 HA3 GLY 47 -1.814 7.398 10.455 384 H LYS 48 H LYS 48 0.156 7.483 7.890 385 HA LYS 48 HA LYS 48 -1.052 9.863 6.759 386 HB2 LYS 48 HB2 LYS 48 1.444 9.467 7.210 387 HB3 LYS 48 HB3 LYS 48 1.425 8.297 5.902 388 HG2 LYS 48 HG2 LYS 48 1.835 9.884 4.440 389 HG3 LYS 48 HG3 LYS 48 0.263 10.597 4.742 390 HD2 LYS 48 HD2 LYS 48 2.796 11.227 6.328 391 HD3 LYS 48 HD3 LYS 48 2.180 12.165 4.966 392 HE2 LYS 48 HE2 LYS 48 0.042 12.541 6.202 393 HE3 LYS 48 HE3 LYS 48 0.694 11.663 7.597 394 HZ1 LYS 48 HZ1 LYS 48 2.392 13.366 7.794 395 HZ2 LYS 48 HZ2 LYS 48 1.792 14.162 6.464 396 HZ3 LYS 48 HZ3 LYS 48 0.923 14.061 7.841 397 H GLN 49 H GLN 49 -2.353 9.841 5.014 398 HA GLN 49 HA GLN 49 -2.966 7.267 3.751 399 HB2 GLN 49 HB2 GLN 49 -4.040 10.045 3.145 400 HB3 GLN 49 HB3 GLN 49 -4.646 8.512 2.500 401 HG2 GLN 49 HG2 GLN 49 -6.043 8.400 4.274 402 HG3 GLN 49 HG3 GLN 49 -4.659 8.047 5.274 403 HE21 GLN 49 HE21 GLN 49 -5.071 11.026 7.106 404 HE22 GLN 49 HE22 GLN 49 -4.374 9.404 7.050 405 H LEU 50 H LEU 50 -2.281 6.587 1.733 406 HA LEU 50 HA LEU 50 -0.309 8.336 0.384 407 HB2 LEU 50 HB2 LEU 50 -0.373 5.370 0.032 408 HB3 LEU 50 HB3 LEU 50 0.977 6.484 -0.106 409 HG LEU 50 HG LEU 50 -0.289 5.552 2.509 410 HD11 LEU 50 HD11 LEU 50 2.330 4.721 1.235 411 HD12 LEU 50 HD12 LEU 50 1.644 4.134 2.764 412 HD13 LEU 50 HD13 LEU 50 0.842 3.771 1.238 413 HD21 LEU 50 HD21 LEU 50 0.905 7.834 2.553 414 HD22 LEU 50 HD22 LEU 50 1.448 6.608 3.697 415 HD23 LEU 50 HD23 LEU 50 2.377 6.904 2.217 416 H GLU 51 H GLU 51 -0.221 8.151 -1.902 417 HA GLU 51 HA GLU 51 -2.156 6.753 -3.428 418 HB2 GLU 51 HB2 GLU 51 -3.227 8.703 -4.462 419 HB3 GLU 51 HB3 GLU 51 -3.661 8.453 -2.772 420 HG2 GLU 51 HG2 GLU 51 -1.970 10.235 -2.163 421 HG3 GLU 51 HG3 GLU 51 -1.788 10.561 -3.899 422 H ASP 52 H ASP 52 -1.862 7.760 -5.801 423 HA ASP 52 HA ASP 52 0.814 7.186 -6.445 424 HB2 ASP 52 HB2 ASP 52 0.061 7.063 -8.603 425 HB3 ASP 52 HB3 ASP 52 -1.438 6.780 -7.740 426 H GLY 53 H GLY 53 2.104 8.422 -7.931 427 HA2 GLY 53 HA2 GLY 53 2.998 10.372 -8.786 428 HA3 GLY 53 HA3 GLY 53 2.070 11.352 -7.631 429 H ARG 54 H ARG 54 2.891 9.468 -5.363 430 HA ARG 54 HA ARG 54 5.676 10.565 -5.003 431 HB2 ARG 54 HB2 ARG 54 3.432 9.977 -3.082 432 HB3 ARG 54 HB3 ARG 54 5.105 10.133 -2.523 433 HG2 ARG 54 HG2 ARG 54 5.149 12.425 -3.635 434 HG3 ARG 54 HG3 ARG 54 3.420 12.199 -3.944 435 HD2 ARG 54 HD2 ARG 54 3.414 11.657 -1.299 436 HD3 ARG 54 HD3 ARG 54 4.877 12.657 -1.347 437 HE ARG 54 HE ARG 54 2.800 13.925 -2.813 438 HH11 ARG 54 HH11 ARG 54 3.854 13.382 0.541 439 HH12 ARG 54 HH12 ARG 54 3.045 14.794 1.135 440 HH21 ARG 54 HH21 ARG 54 1.397 15.508 -1.937 441 HH22 ARG 54 HH22 ARG 54 1.607 16.017 -0.293 442 H THR 55 H THR 55 7.089 9.289 -3.564 443 HA THR 55 HA THR 55 6.940 6.403 -4.206 444 HB THR 55 HB THR 55 9.403 6.504 -4.295 445 HG1 THR 55 HG1 THR 55 9.036 9.321 -3.880 446 HG21 THR 55 HG21 THR 55 9.633 7.696 -6.413 447 HG22 THR 55 HG22 THR 55 8.160 6.747 -6.368 448 HG23 THR 55 HG23 THR 55 8.091 8.518 -6.166 449 H LEU 56 H LEU 56 8.503 5.099 -2.805 450 HA LEU 56 HA LEU 56 7.498 4.956 -0.217 451 HB2 LEU 56 HB2 LEU 56 9.717 3.678 -1.713 452 HB3 LEU 56 HB3 LEU 56 10.080 3.866 -0.019 453 HG LEU 56 HG LEU 56 7.552 2.850 0.217 454 HD11 LEU 56 HD11 LEU 56 8.798 1.373 -2.129 455 HD12 LEU 56 HD12 LEU 56 7.274 0.983 -1.330 456 HD13 LEU 56 HD13 LEU 56 7.432 2.471 -2.299 457 HD21 LEU 56 HD21 LEU 56 10.079 1.218 -0.129 458 HD22 LEU 56 HD22 LEU 56 9.591 2.067 1.362 459 HD23 LEU 56 HD23 LEU 56 8.611 0.732 0.752 460 H SER 57 H SER 57 10.595 6.510 -1.231 461 HA SER 57 HA SER 57 11.315 7.228 1.430 462 HB2 SER 57 HB2 SER 57 12.642 7.255 -0.959 463 HB3 SER 57 HB3 SER 57 12.334 8.986 -0.749 464 HG SER 57 HG SER 57 13.789 8.980 0.777 465 H ASP 58 H ASP 58 9.197 8.859 -0.944 466 HA ASP 58 HA ASP 58 9.182 11.424 0.352 467 HB2 ASP 58 HB2 ASP 58 7.016 10.082 -1.311 468 HB3 ASP 58 HB3 ASP 58 7.010 11.766 -0.794 469 H TYR 59 H TYR 59 7.144 8.518 0.690 470 HA TYR 59 HA TYR 59 5.667 9.728 2.922 471 HB2 TYR 59 HB2 TYR 59 5.629 7.008 1.599 472 HB3 TYR 59 HB3 TYR 59 4.602 7.438 2.965 473 HD1 TYR 59 HD1 TYR 59 3.317 9.814 2.667 474 HD2 TYR 59 HD2 TYR 59 4.663 7.270 -0.553 475 HE1 TYR 59 HE1 TYR 59 1.522 10.706 1.223 476 HE2 TYR 59 HE2 TYR 59 2.893 8.192 -1.997 477 HH TYR 59 HH TYR 59 1.180 9.901 -2.217 478 H ASN 60 H ASN 60 8.724 8.587 2.751 479 HA ASN 60 HA ASN 60 10.305 7.842 4.118 480 HB2 ASN 60 HB2 ASN 60 9.546 9.863 5.339 481 HB3 ASN 60 HB3 ASN 60 8.502 8.837 6.335 482 HD21 ASN 60 HD21 ASN 60 11.362 9.253 8.507 483 HD22 ASN 60 HD22 ASN 60 9.876 10.015 7.952 484 H ILE 61 H ILE 61 8.798 5.863 3.166 485 HA ILE 61 HA ILE 61 8.043 4.010 5.346 486 HB ILE 61 HB ILE 61 7.994 3.861 2.290 487 HG12 ILE 61 HG12 ILE 61 5.621 3.934 4.175 488 HG13 ILE 61 HG13 ILE 61 6.315 5.421 3.544 489 HG21 ILE 61 HG21 ILE 61 6.817 1.887 4.304 490 HG22 ILE 61 HG22 ILE 61 6.704 1.772 2.538 491 HG23 ILE 61 HG23 ILE 61 8.262 1.590 3.323 492 HD11 ILE 61 HD11 ILE 61 4.403 4.804 2.234 493 HD12 ILE 61 HD12 ILE 61 5.860 4.658 1.234 494 HD13 ILE 61 HD13 ILE 61 5.078 3.205 1.888 495 H GLN 62 H GLN 62 9.676 2.701 6.172 496 HA GLN 62 HA GLN 62 12.201 2.512 4.603 497 HB2 GLN 62 HB2 GLN 62 11.714 2.020 7.564 498 HB3 GLN 62 HB3 GLN 62 13.258 1.871 6.726 499 HG2 GLN 62 HG2 GLN 62 11.663 4.423 7.138 500 HG3 GLN 62 HG3 GLN 62 13.233 4.013 7.823 501 HE21 GLN 62 HE21 GLN 62 13.281 6.079 4.444 502 HE22 GLN 62 HE22 GLN 62 12.101 6.197 5.731 503 H LYS 63 H LYS 63 13.358 0.283 5.253 504 HA LYS 63 HA LYS 63 11.805 -1.641 3.793 505 HB2 LYS 63 HB2 LYS 63 13.663 -3.108 4.027 506 HB3 LYS 63 HB3 LYS 63 14.322 -1.495 3.787 507 HG2 LYS 63 HG2 LYS 63 14.735 -1.311 6.243 508 HG3 LYS 63 HG3 LYS 63 14.117 -2.958 6.463 509 HD2 LYS 63 HD2 LYS 63 15.891 -3.822 4.919 510 HD3 LYS 63 HD3 LYS 63 16.483 -2.159 4.748 511 HE2 LYS 63 HE2 LYS 63 16.596 -2.174 7.353 512 HE3 LYS 63 HE3 LYS 63 16.515 -3.940 7.198 513 HZ1 LYS 63 HZ1 LYS 63 18.792 -2.960 7.289 514 HZ2 LYS 63 HZ2 LYS 63 18.567 -3.838 5.910 515 HZ3 LYS 63 HZ3 LYS 63 18.510 -2.178 5.911 516 H GLU 64 H GLU 64 11.129 -3.731 4.496 517 HA GLU 64 HA GLU 64 9.696 -4.886 5.605 518 HB2 GLU 64 HB2 GLU 64 11.997 -4.759 7.559 519 HB3 GLU 64 HB3 GLU 64 10.632 -5.869 7.699 520 HG2 GLU 64 HG2 GLU 64 12.274 -7.118 6.597 521 HG3 GLU 64 HG3 GLU 64 11.100 -6.712 5.373 522 H SER 65 H SER 65 8.634 -2.500 5.582 523 HA SER 65 HA SER 65 7.662 -1.731 8.234 524 HB2 SER 65 HB2 SER 65 6.491 0.053 6.763 525 HB3 SER 65 HB3 SER 65 8.242 0.165 7.015 526 HG SER 65 HG SER 65 8.601 -0.237 4.995 527 H THR 66 H THR 66 5.131 -1.397 8.378 528 HA THR 66 HA THR 66 3.727 -3.476 6.795 529 HB THR 66 HB THR 66 3.186 -3.060 9.745 530 HG1 THR 66 HG1 THR 66 4.165 -5.372 9.566 531 HG21 THR 66 HG21 THR 66 1.945 -5.161 9.482 532 HG22 THR 66 HG22 THR 66 1.357 -3.979 8.299 533 HG23 THR 66 HG23 THR 66 2.425 -5.286 7.786 534 H LEU 67 H LEU 67 2.496 -2.377 5.495 535 HA LEU 67 HA LEU 67 1.241 0.183 6.283 536 HB2 LEU 67 HB2 LEU 67 1.524 -1.315 3.633 537 HB3 LEU 67 HB3 LEU 67 0.711 0.229 3.836 538 HG LEU 67 HG LEU 67 2.886 1.201 4.673 539 HD11 LEU 67 HD11 LEU 67 4.049 -1.422 3.680 540 HD12 LEU 67 HD12 LEU 67 4.997 0.071 3.806 541 HD13 LEU 67 HD13 LEU 67 4.317 -0.633 5.253 542 HD21 LEU 67 HD21 LEU 67 3.794 1.449 2.381 543 HD22 LEU 67 HD22 LEU 67 2.814 0.076 1.851 544 HD23 LEU 67 HD23 LEU 67 2.040 1.585 2.407 545 H HIS 68 H HIS 68 -1.037 0.524 5.590 546 HA HIS 68 HA HIS 68 -2.764 -1.929 5.866 547 HB2 HIS 68 HB2 HIS 68 -3.006 0.847 7.064 548 HB3 HIS 68 HB3 HIS 68 -4.443 -0.124 6.763 549 HD1 HIS 68 HD1 HIS 68 -1.871 0.341 9.398 550 HD2 HIS 68 HD2 HIS 68 -4.592 -2.595 8.041 551 HE1 HIS 68 HE1 HIS 68 -2.151 -1.306 11.290 552 H LEU 69 H LEU 69 -4.921 -1.766 4.877 553 HA LEU 69 HA LEU 69 -5.080 0.050 2.547 554 HB2 LEU 69 HB2 LEU 69 -5.707 -2.910 2.766 555 HB3 LEU 69 HB3 LEU 69 -6.392 -1.878 1.510 556 HG LEU 69 HG LEU 69 -3.391 -2.052 1.892 557 HD11 LEU 69 HD11 LEU 69 -3.322 -3.737 0.113 558 HD12 LEU 69 HD12 LEU 69 -4.231 -4.344 1.498 559 HD13 LEU 69 HD13 LEU 69 -5.098 -3.773 0.051 560 HD21 LEU 69 HD21 LEU 69 -5.145 -1.337 -0.511 561 HD22 LEU 69 HD22 LEU 69 -4.268 -0.182 0.508 562 HD23 LEU 69 HD23 LEU 69 -3.370 -1.331 -0.472 563 H VAL 70 H VAL 70 -7.000 1.253 2.503 564 HA VAL 70 HA VAL 70 -9.299 0.262 4.069 565 HB VAL 70 HB VAL 70 -9.605 2.386 5.227 566 HG11 VAL 70 HG11 VAL 70 -6.747 1.484 5.753 567 HG12 VAL 70 HG12 VAL 70 -7.832 2.354 6.857 568 HG13 VAL 70 HG13 VAL 70 -8.202 0.693 6.393 569 HG21 VAL 70 HG21 VAL 70 -7.063 3.245 3.835 570 HG22 VAL 70 HG22 VAL 70 -8.653 3.974 3.685 571 HG23 VAL 70 HG23 VAL 70 -7.784 4.125 5.211 572 H LEU 71 H LEU 71 -11.257 1.465 3.703 573 HA LEU 71 HA LEU 71 -11.495 2.994 1.167 574 HB2 LEU 71 HB2 LEU 71 -13.243 1.611 0.374 575 HB3 LEU 71 HB3 LEU 71 -11.891 0.575 0.735 576 HG LEU 71 HG LEU 71 -13.524 0.645 3.119 577 HD11 LEU 71 HD11 LEU 71 -15.186 -0.084 0.682 578 HD12 LEU 71 HD12 LEU 71 -15.653 -0.156 2.394 579 HD13 LEU 71 HD13 LEU 71 -15.407 1.405 1.612 580 HD21 LEU 71 HD21 LEU 71 -13.804 -1.750 2.650 581 HD22 LEU 71 HD22 LEU 71 -13.112 -1.520 1.033 582 HD23 LEU 71 HD23 LEU 71 -12.126 -1.212 2.478 583 H ARG 72 H ARG 72 -14.142 3.437 1.092 584 HA ARG 72 HA ARG 72 -15.342 3.868 3.652 585 HB2 ARG 72 HB2 ARG 72 -13.722 5.990 2.927 586 HB3 ARG 72 HB3 ARG 72 -15.208 6.438 2.077 587 HG2 ARG 72 HG2 ARG 72 -15.461 7.394 4.252 588 HG3 ARG 72 HG3 ARG 72 -16.411 5.898 4.332 589 HD2 ARG 72 HD2 ARG 72 -14.042 4.885 5.096 590 HD3 ARG 72 HD3 ARG 72 -13.700 6.557 5.517 591 HE ARG 72 HE ARG 72 -16.129 6.057 6.723 592 HH11 ARG 72 HH11 ARG 72 -12.966 4.382 6.801 593 HH12 ARG 72 HH12 ARG 72 -13.437 3.431 8.209 594 HH21 ARG 72 HH21 ARG 72 -16.581 4.893 8.615 595 HH22 ARG 72 HH22 ARG 72 -15.371 3.851 9.318 596 H LEU 73 H LEU 73 -17.506 3.633 3.346 597 HA LEU 73 HA LEU 73 -18.702 4.120 0.694 598 HB2 LEU 73 HB2 LEU 73 -18.150 1.485 1.940 599 HB3 LEU 73 HB3 LEU 73 -19.861 1.711 1.647 600 HG LEU 73 HG LEU 73 -17.784 2.214 -0.522 601 HD11 LEU 73 HD11 LEU 73 -19.309 -0.345 0.107 602 HD12 LEU 73 HD12 LEU 73 -18.356 -0.052 -1.365 603 HD13 LEU 73 HD13 LEU 73 -17.550 -0.105 0.200 604 HD21 LEU 73 HD21 LEU 73 -20.796 1.693 -0.584 605 HD22 LEU 73 HD22 LEU 73 -19.970 3.228 -0.955 606 HD23 LEU 73 HD23 LEU 73 -19.763 1.841 -2.009 607 H ARG 74 H ARG 74 -20.819 4.815 0.877 608 HA ARG 74 HA ARG 74 -21.876 5.133 3.650 609 HB2 ARG 74 HB2 ARG 74 -22.411 6.787 1.155 610 HB3 ARG 74 HB3 ARG 74 -23.092 7.083 2.736 611 HG2 ARG 74 HG2 ARG 74 -20.162 7.301 1.929 612 HG3 ARG 74 HG3 ARG 74 -21.238 8.615 2.356 613 HD2 ARG 74 HD2 ARG 74 -20.302 6.402 4.258 614 HD3 ARG 74 HD3 ARG 74 -19.631 8.010 4.187 615 HE ARG 74 HE ARG 74 -22.271 7.193 5.249 616 HH11 ARG 74 HH11 ARG 74 -20.084 9.899 4.473 617 HH12 ARG 74 HH12 ARG 74 -21.076 11.082 5.295 618 HH21 ARG 74 HH21 ARG 74 -23.362 8.703 6.611 619 HH22 ARG 74 HH22 ARG 74 -22.865 10.352 6.658 620 H GLY 75 H GLY 75 -22.320 3.388 0.758 621 HA2 GLY 75 HA2 GLY 75 -25.200 3.020 1.019 622 HA3 GLY 75 HA3 GLY 75 -24.095 2.171 -0.064 623 H GLY 76 H GLY 76 -23.099 2.233 3.313 624 HA2 GLY 76 HA2 GLY 76 -24.381 0.215 4.594 625 HA3 GLY 76 HA3 GLY 76 -23.139 -0.593 3.604 Start of MODEL 20 1 H1 MET 1 H MET 1 15.053 -5.238 -0.861 2 HA MET 1 HA MET 1 14.122 -4.136 1.711 3 HB2 MET 1 HB2 MET 1 14.922 -2.280 0.478 4 HB3 MET 1 HB3 MET 1 14.011 -2.743 -0.977 5 HG2 MET 1 HG2 MET 1 11.899 -2.384 0.170 6 HG3 MET 1 HG3 MET 1 12.711 -2.248 1.727 7 HE1 MET 1 HE1 MET 1 11.129 1.141 1.664 8 HE2 MET 1 HE2 MET 1 10.458 -0.417 1.145 9 HE3 MET 1 HE3 MET 1 11.519 -0.321 2.554 10 H GLN 2 H GLN 2 12.379 -5.350 2.327 11 HA GLN 2 HA GLN 2 10.272 -5.696 0.287 12 HB2 GLN 2 HB2 GLN 2 9.561 -7.759 1.389 13 HB3 GLN 2 HB3 GLN 2 11.122 -7.913 0.591 14 HG2 GLN 2 HG2 GLN 2 12.301 -7.970 2.668 15 HG3 GLN 2 HG3 GLN 2 10.908 -7.375 3.574 16 HE21 GLN 2 HE21 GLN 2 9.671 -10.637 4.199 17 HE22 GLN 2 HE22 GLN 2 9.505 -8.888 4.436 18 H ILE 3 H ILE 3 8.118 -5.586 1.219 19 HA ILE 3 HA ILE 3 7.979 -4.300 3.896 20 HB ILE 3 HB ILE 3 6.400 -2.621 3.157 21 HG12 ILE 3 HG12 ILE 3 7.039 -3.322 0.261 22 HG13 ILE 3 HG13 ILE 3 5.603 -3.893 1.091 23 HG21 ILE 3 HG21 ILE 3 7.995 -1.064 2.164 24 HG22 ILE 3 HG22 ILE 3 8.801 -2.089 3.353 25 HG23 ILE 3 HG23 ILE 3 9.030 -2.413 1.635 26 HD11 ILE 3 HD11 ILE 3 5.080 -1.927 -0.233 27 HD12 ILE 3 HD12 ILE 3 4.817 -1.620 1.490 28 HD13 ILE 3 HD13 ILE 3 6.246 -0.952 0.676 29 H PHE 4 H PHE 4 5.572 -4.243 4.607 30 HA PHE 4 HA PHE 4 4.223 -6.666 3.577 31 HB2 PHE 4 HB2 PHE 4 4.181 -5.630 6.425 32 HB3 PHE 4 HB3 PHE 4 3.419 -7.092 5.813 33 HD1 PHE 4 HD1 PHE 4 4.819 -9.096 5.179 34 HD2 PHE 4 HD2 PHE 4 6.455 -5.626 7.177 35 HE1 PHE 4 HE1 PHE 4 6.743 -10.446 5.998 36 HE2 PHE 4 HE2 PHE 4 8.378 -6.958 7.919 37 HZ PHE 4 HZ PHE 4 8.520 -9.383 7.370 38 H VAL 5 H VAL 5 1.940 -6.545 3.521 39 HA VAL 5 HA VAL 5 0.731 -3.934 4.224 40 HB VAL 5 HB VAL 5 0.164 -5.293 1.564 41 HG11 VAL 5 HG11 VAL 5 -1.671 -3.952 2.550 42 HG12 VAL 5 HG12 VAL 5 -0.585 -2.567 2.739 43 HG13 VAL 5 HG13 VAL 5 -1.009 -3.153 1.115 44 HG21 VAL 5 HG21 VAL 5 1.289 -3.384 0.466 45 HG22 VAL 5 HG22 VAL 5 1.853 -2.787 2.041 46 HG23 VAL 5 HG23 VAL 5 2.436 -4.324 1.408 47 H LYS 6 H LYS 6 -1.058 -4.238 5.395 48 HA LYS 6 HA LYS 6 -2.129 -6.978 5.730 49 HB2 LYS 6 HB2 LYS 6 -1.513 -5.591 7.753 50 HB3 LYS 6 HB3 LYS 6 -2.705 -4.395 7.249 51 HG2 LYS 6 HG2 LYS 6 -3.899 -5.629 8.833 52 HG3 LYS 6 HG3 LYS 6 -4.434 -6.345 7.330 53 HD2 LYS 6 HD2 LYS 6 -4.034 -8.186 8.751 54 HD3 LYS 6 HD3 LYS 6 -2.636 -8.152 7.689 55 HE2 LYS 6 HE2 LYS 6 -1.881 -8.594 9.912 56 HE3 LYS 6 HE3 LYS 6 -1.327 -6.981 9.476 57 HZ1 LYS 6 HZ1 LYS 6 -3.752 -7.488 11.083 58 HZ2 LYS 6 HZ2 LYS 6 -2.264 -7.185 11.741 59 HZ3 LYS 6 HZ3 LYS 6 -3.031 -6.051 10.852 60 H THR 7 H THR 7 -3.924 -7.463 4.426 61 HA THR 7 HA THR 7 -5.151 -5.363 2.812 62 HB THR 7 HB THR 7 -6.562 -7.207 1.989 63 HG1 THR 7 HG1 THR 7 -6.720 -9.010 3.043 64 HG21 THR 7 HG21 THR 7 -4.308 -6.973 0.981 65 HG22 THR 7 HG22 THR 7 -3.650 -8.080 2.208 66 HG23 THR 7 HG23 THR 7 -4.835 -8.665 1.031 67 H LEU 8 H LEU 8 -7.605 -5.176 2.726 68 HA LEU 8 HA LEU 8 -8.543 -4.438 5.337 69 HB2 LEU 8 HB2 LEU 8 -10.428 -3.646 4.360 70 HB3 LEU 8 HB3 LEU 8 -9.301 -3.499 3.035 71 HG LEU 8 HG LEU 8 -11.336 -5.778 3.349 72 HD11 LEU 8 HD11 LEU 8 -12.458 -3.605 3.142 73 HD12 LEU 8 HD12 LEU 8 -11.551 -3.276 1.650 74 HD13 LEU 8 HD13 LEU 8 -12.695 -4.608 1.706 75 HD21 LEU 8 HD21 LEU 8 -9.861 -4.874 0.847 76 HD22 LEU 8 HD22 LEU 8 -9.410 -6.309 1.813 77 HD23 LEU 8 HD23 LEU 8 -10.977 -6.233 0.996 78 H THR 9 H THR 9 -8.332 -7.506 3.877 79 HA THR 9 HA THR 9 -10.563 -8.729 5.336 80 HB THR 9 HB THR 9 -9.731 -10.744 3.991 81 HG1 THR 9 HG1 THR 9 -8.459 -10.334 2.262 82 HG21 THR 9 HG21 THR 9 -10.668 -9.779 1.839 83 HG22 THR 9 HG22 THR 9 -11.694 -9.553 3.272 84 HG23 THR 9 HG23 THR 9 -10.738 -8.206 2.624 85 H GLY 10 H GLY 10 -7.211 -8.034 5.934 86 HA2 GLY 10 HA2 GLY 10 -6.258 -8.509 7.991 87 HA3 GLY 10 HA3 GLY 10 -7.266 -9.937 8.176 88 H LYS 11 H LYS 11 -5.883 -9.841 4.986 89 HA LYS 11 HA LYS 11 -4.145 -12.069 5.767 90 HB2 LYS 11 HB2 LYS 11 -4.965 -10.718 3.185 91 HB3 LYS 11 HB3 LYS 11 -3.448 -11.533 3.168 92 HG2 LYS 11 HG2 LYS 11 -5.898 -12.999 4.177 93 HG3 LYS 11 HG3 LYS 11 -5.703 -12.730 2.459 94 HD2 LYS 11 HD2 LYS 11 -3.786 -14.232 4.261 95 HD3 LYS 11 HD3 LYS 11 -4.850 -14.927 3.056 96 HE2 LYS 11 HE2 LYS 11 -2.408 -13.169 2.526 97 HE3 LYS 11 HE3 LYS 11 -2.566 -14.894 2.218 98 HZ1 LYS 11 HZ1 LYS 11 -4.124 -12.786 0.819 99 HZ2 LYS 11 HZ2 LYS 11 -2.843 -13.609 0.203 100 HZ3 LYS 11 HZ3 LYS 11 -4.232 -14.406 0.558 101 H THR 12 H THR 12 -1.784 -11.999 5.212 102 HA THR 12 HA THR 12 -0.582 -9.278 5.530 103 HB THR 12 HB THR 12 0.426 -12.115 6.139 104 HG1 THR 12 HG1 THR 12 0.179 -11.693 8.201 105 HG21 THR 12 HG21 THR 12 2.318 -10.976 7.308 106 HG22 THR 12 HG22 THR 12 2.320 -10.693 5.569 107 HG23 THR 12 HG23 THR 12 1.758 -9.423 6.661 108 H ILE 13 H ILE 13 0.526 -8.629 3.749 109 HA ILE 13 HA ILE 13 1.191 -10.603 1.620 110 HB ILE 13 HB ILE 13 0.643 -7.627 1.375 111 HG12 ILE 13 HG12 ILE 13 -1.443 -8.700 2.071 112 HG13 ILE 13 HG13 ILE 13 -1.531 -8.131 0.437 113 HG21 ILE 13 HG21 ILE 13 2.032 -8.405 -0.427 114 HG22 ILE 13 HG22 ILE 13 0.986 -9.805 -0.726 115 HG23 ILE 13 HG23 ILE 13 0.411 -8.160 -1.062 116 HD11 ILE 13 HD11 ILE 13 -1.135 -11.044 1.294 117 HD12 ILE 13 HD12 ILE 13 -2.617 -10.311 0.673 118 HD13 ILE 13 HD13 ILE 13 -1.212 -10.494 -0.389 119 H THR 14 H THR 14 3.227 -10.227 0.599 120 HA THR 14 HA THR 14 5.215 -8.568 2.013 121 HB THR 14 HB THR 14 5.647 -11.460 1.147 122 HG1 THR 14 HG1 THR 14 4.272 -11.443 2.904 123 HG21 THR 14 HG21 THR 14 7.683 -10.005 1.204 124 HG22 THR 14 HG22 THR 14 7.305 -9.576 2.888 125 HG23 THR 14 HG23 THR 14 7.727 -11.246 2.457 126 H LEU 15 H LEU 15 6.314 -7.353 0.437 127 HA LEU 15 HA LEU 15 6.402 -8.293 -2.361 128 HB2 LEU 15 HB2 LEU 15 5.301 -5.604 -1.422 129 HB3 LEU 15 HB3 LEU 15 5.802 -5.928 -3.074 130 HG LEU 15 HG LEU 15 3.592 -7.485 -1.682 131 HD11 LEU 15 HD11 LEU 15 2.095 -6.064 -3.137 132 HD12 LEU 15 HD12 LEU 15 2.863 -5.226 -1.778 133 HD13 LEU 15 HD13 LEU 15 3.497 -5.007 -3.414 134 HD21 LEU 15 HD21 LEU 15 4.500 -7.342 -4.589 135 HD22 LEU 15 HD22 LEU 15 4.530 -8.750 -3.530 136 HD23 LEU 15 HD23 LEU 15 2.979 -8.085 -4.051 137 H GLU 16 H GLU 16 8.082 -7.333 -3.526 138 HA GLU 16 HA GLU 16 10.295 -6.192 -1.949 139 HB2 GLU 16 HB2 GLU 16 10.803 -8.167 -3.213 140 HB3 GLU 16 HB3 GLU 16 10.098 -7.489 -4.694 141 HG2 GLU 16 HG2 GLU 16 11.906 -6.079 -5.083 142 HG3 GLU 16 HG3 GLU 16 12.329 -5.962 -3.371 143 H VAL 17 H VAL 17 10.498 -4.024 -2.014 144 HA VAL 17 HA VAL 17 9.542 -2.495 -4.379 145 HB VAL 17 HB VAL 17 8.585 -0.797 -2.890 146 HG11 VAL 17 HG11 VAL 17 7.114 -2.585 -3.792 147 HG12 VAL 17 HG12 VAL 17 7.360 -3.536 -2.315 148 HG13 VAL 17 HG13 VAL 17 6.554 -1.955 -2.240 149 HG21 VAL 17 HG21 VAL 17 9.942 -1.211 -0.883 150 HG22 VAL 17 HG22 VAL 17 8.214 -1.293 -0.508 151 HG23 VAL 17 HG23 VAL 17 9.155 -2.786 -0.647 152 H GLU 18 H GLU 18 10.397 0.034 -3.697 153 HA GLU 18 HA GLU 18 13.136 -0.117 -2.695 154 HB2 GLU 18 HB2 GLU 18 14.017 0.871 -4.818 155 HB3 GLU 18 HB3 GLU 18 13.407 -0.765 -5.036 156 HG2 GLU 18 HG2 GLU 18 11.390 0.028 -6.095 157 HG3 GLU 18 HG3 GLU 18 11.739 1.701 -5.637 158 HA PRO 19 HA PRO 19 12.108 4.009 -1.435 159 HB2 PRO 19 HB2 PRO 19 14.480 5.201 -2.816 160 HB3 PRO 19 HB3 PRO 19 14.013 5.298 -1.088 161 HG2 PRO 19 HG2 PRO 19 16.046 3.715 -1.895 162 HG3 PRO 19 HG3 PRO 19 14.906 3.142 -0.638 163 HD2 PRO 19 HD2 PRO 19 14.909 2.515 -3.602 164 HD3 PRO 19 HD3 PRO 19 14.716 1.389 -2.219 165 H SER 20 H SER 20 12.745 3.585 -4.912 166 HA SER 20 HA SER 20 11.057 5.966 -5.413 167 HB2 SER 20 HB2 SER 20 13.054 4.596 -7.224 168 HB3 SER 20 HB3 SER 20 12.171 6.112 -7.514 169 HG SER 20 HG SER 20 13.191 6.922 -5.572 170 H ASP 21 H ASP 21 9.989 3.254 -4.673 171 HA ASP 21 HA ASP 21 8.758 2.439 -7.259 172 HB2 ASP 21 HB2 ASP 21 9.440 0.797 -5.354 173 HB3 ASP 21 HB3 ASP 21 8.092 1.444 -4.448 174 H THR 22 H THR 22 6.773 3.477 -7.818 175 HA THR 22 HA THR 22 5.893 5.634 -6.051 176 HB THR 22 HB THR 22 4.101 5.825 -7.901 177 HG1 THR 22 HG1 THR 22 5.500 4.713 -9.816 178 HG21 THR 22 HG21 THR 22 7.038 6.101 -8.672 179 HG22 THR 22 HG22 THR 22 5.659 6.922 -9.443 180 HG23 THR 22 HG23 THR 22 6.071 7.292 -7.765 181 H ILE 23 H ILE 23 3.712 5.814 -5.215 182 HA ILE 23 HA ILE 23 2.888 3.370 -3.974 183 HB ILE 23 HB ILE 23 1.297 5.889 -4.340 184 HG12 ILE 23 HG12 ILE 23 3.322 6.483 -3.185 185 HG13 ILE 23 HG13 ILE 23 2.011 6.453 -2.024 186 HG21 ILE 23 HG21 ILE 23 -0.256 4.203 -3.675 187 HG22 ILE 23 HG22 ILE 23 0.860 3.549 -2.464 188 HG23 ILE 23 HG23 ILE 23 0.100 5.139 -2.220 189 HD11 ILE 23 HD11 ILE 23 4.160 4.317 -2.348 190 HD12 ILE 23 HD12 ILE 23 3.997 5.484 -1.030 191 HD13 ILE 23 HD13 ILE 23 2.783 4.210 -1.221 192 H GLU 24 H GLU 24 2.023 4.732 -7.140 193 HA GLU 24 HA GLU 24 -0.343 3.214 -7.559 194 HB2 GLU 24 HB2 GLU 24 0.699 5.118 -9.035 195 HB3 GLU 24 HB3 GLU 24 1.709 3.863 -9.707 196 HG2 GLU 24 HG2 GLU 24 -0.076 4.048 -11.208 197 HG3 GLU 24 HG3 GLU 24 -0.463 2.598 -10.295 198 H ASN 25 H ASN 25 3.127 2.428 -7.892 199 HA ASN 25 HA ASN 25 2.723 -0.159 -9.113 200 HB2 ASN 25 HB2 ASN 25 5.085 1.240 -7.816 201 HB3 ASN 25 HB3 ASN 25 5.118 -0.492 -8.075 202 HD21 ASN 25 HD21 ASN 25 5.625 1.894 -11.286 203 HD22 ASN 25 HD22 ASN 25 5.398 2.597 -9.690 204 H VAL 26 H VAL 26 3.513 0.897 -5.742 205 HA VAL 26 HA VAL 26 3.332 -1.660 -4.589 206 HB VAL 26 HB VAL 26 2.501 0.954 -3.263 207 HG11 VAL 26 HG11 VAL 26 1.924 -1.008 -1.894 208 HG12 VAL 26 HG12 VAL 26 3.547 -1.679 -2.126 209 HG13 VAL 26 HG13 VAL 26 3.322 -0.190 -1.184 210 HG21 VAL 26 HG21 VAL 26 4.784 1.180 -4.241 211 HG22 VAL 26 HG22 VAL 26 4.829 1.115 -2.488 212 HG23 VAL 26 HG23 VAL 26 5.268 -0.314 -3.444 213 H LYS 27 H LYS 27 0.695 0.631 -5.321 214 HA LYS 27 HA LYS 27 -1.355 -0.951 -4.058 215 HB2 LYS 27 HB2 LYS 27 -1.252 1.591 -4.530 216 HB3 LYS 27 HB3 LYS 27 -1.743 1.191 -6.183 217 HG2 LYS 27 HG2 LYS 27 -3.801 0.115 -5.191 218 HG3 LYS 27 HG3 LYS 27 -3.229 0.582 -3.581 219 HD2 LYS 27 HD2 LYS 27 -4.814 2.234 -4.178 220 HD3 LYS 27 HD3 LYS 27 -3.243 3.020 -4.435 221 HE2 LYS 27 HE2 LYS 27 -3.390 2.501 -6.866 222 HE3 LYS 27 HE3 LYS 27 -4.907 1.634 -6.593 223 HZ1 LYS 27 HZ1 LYS 27 -4.475 4.537 -6.252 224 HZ2 LYS 27 HZ2 LYS 27 -5.348 3.780 -7.418 225 HZ3 LYS 27 HZ3 LYS 27 -5.886 3.762 -5.877 226 H ALA 28 H ALA 28 0.244 -1.206 -7.115 227 HA ALA 28 HA ALA 28 -1.895 -2.742 -8.456 228 HB1 ALA 28 HB1 ALA 28 0.894 -1.803 -9.300 229 HB2 ALA 28 HB2 ALA 28 -0.206 -2.717 -10.324 230 HB3 ALA 28 HB3 ALA 28 -0.676 -1.108 -9.778 231 H LYS 29 H LYS 29 1.441 -3.171 -7.241 232 HA LYS 29 HA LYS 29 1.856 -5.851 -7.783 233 HB2 LYS 29 HB2 LYS 29 2.667 -4.168 -5.385 234 HB3 LYS 29 HB3 LYS 29 3.282 -5.799 -5.669 235 HG2 LYS 29 HG2 LYS 29 4.410 -5.138 -7.690 236 HG3 LYS 29 HG3 LYS 29 3.708 -3.521 -7.641 237 HD2 LYS 29 HD2 LYS 29 4.819 -3.137 -5.408 238 HD3 LYS 29 HD3 LYS 29 5.587 -4.715 -5.551 239 HE2 LYS 29 HE2 LYS 29 6.075 -2.245 -7.278 240 HE3 LYS 29 HE3 LYS 29 7.154 -2.966 -6.095 241 HZ1 LYS 29 HZ1 LYS 29 6.954 -5.033 -7.601 242 HZ2 LYS 29 HZ2 LYS 29 6.493 -3.926 -8.762 243 HZ3 LYS 29 HZ3 LYS 29 7.952 -3.807 -8.042 244 H ILE 30 H ILE 30 0.007 -4.496 -5.019 245 HA ILE 30 HA ILE 30 -0.410 -7.012 -3.715 246 HB ILE 30 HB ILE 30 -2.268 -5.822 -2.525 247 HG12 ILE 30 HG12 ILE 30 -1.403 -3.423 -4.179 248 HG13 ILE 30 HG13 ILE 30 -2.930 -4.286 -4.373 249 HG21 ILE 30 HG21 ILE 30 -0.775 -4.431 -1.217 250 HG22 ILE 30 HG22 ILE 30 0.097 -5.862 -1.746 251 HG23 ILE 30 HG23 ILE 30 0.374 -4.305 -2.565 252 HD11 ILE 30 HD11 ILE 30 -2.072 -2.735 -1.899 253 HD12 ILE 30 HD12 ILE 30 -3.245 -2.226 -3.106 254 HD13 ILE 30 HD13 ILE 30 -3.602 -3.636 -2.097 255 H GLN 31 H GLN 31 -2.040 -5.591 -6.552 256 HA GLN 31 HA GLN 31 -4.398 -7.247 -6.289 257 HB2 GLN 31 HB2 GLN 31 -3.388 -5.927 -8.834 258 HB3 GLN 31 HB3 GLN 31 -5.046 -6.345 -8.373 259 HG2 GLN 31 HG2 GLN 31 -4.743 -4.694 -6.408 260 HG3 GLN 31 HG3 GLN 31 -3.272 -4.161 -7.209 261 HE21 GLN 31 HE21 GLN 31 -6.268 -2.058 -8.167 262 HE22 GLN 31 HE22 GLN 31 -5.723 -2.701 -6.612 263 H ASP 32 H ASP 32 -1.157 -7.668 -7.535 264 HA ASP 32 HA ASP 32 -1.812 -9.997 -9.231 265 HB2 ASP 32 HB2 ASP 32 0.137 -9.024 -9.966 266 HB3 ASP 32 HB3 ASP 32 0.671 -8.569 -8.362 267 H LYS 33 H LYS 33 -1.147 -9.351 -5.841 268 HA LYS 33 HA LYS 33 -0.930 -12.252 -5.257 269 HB2 LYS 33 HB2 LYS 33 -0.225 -9.789 -3.620 270 HB3 LYS 33 HB3 LYS 33 -0.232 -11.440 -2.986 271 HG2 LYS 33 HG2 LYS 33 1.207 -11.980 -5.123 272 HG3 LYS 33 HG3 LYS 33 1.565 -10.250 -5.127 273 HD2 LYS 33 HD2 LYS 33 2.599 -10.386 -2.959 274 HD3 LYS 33 HD3 LYS 33 1.895 -11.976 -2.650 275 HE2 LYS 33 HE2 LYS 33 4.077 -11.404 -4.686 276 HE3 LYS 33 HE3 LYS 33 4.283 -12.156 -3.103 277 HZ1 LYS 33 HZ1 LYS 33 2.654 -13.878 -3.926 278 HZ2 LYS 33 HZ2 LYS 33 2.904 -13.291 -5.443 279 HZ3 LYS 33 HZ3 LYS 33 4.164 -13.911 -4.566 280 H GLU 34 H GLU 34 -3.511 -9.910 -5.073 281 HA GLU 34 HA GLU 34 -5.047 -11.891 -3.538 282 HB2 GLU 34 HB2 GLU 34 -3.976 -10.169 -1.951 283 HB3 GLU 34 HB3 GLU 34 -4.922 -8.944 -2.765 284 HG2 GLU 34 HG2 GLU 34 -6.175 -9.389 -0.869 285 HG3 GLU 34 HG3 GLU 34 -7.000 -10.400 -2.045 286 H GLY 35 H GLY 35 -7.426 -11.470 -3.859 287 HA2 GLY 35 HA2 GLY 35 -7.993 -10.490 -6.537 288 HA3 GLY 35 HA3 GLY 35 -9.103 -11.244 -5.396 289 H ILE 36 H ILE 36 -7.211 -8.178 -5.771 290 HA ILE 36 HA ILE 36 -9.607 -6.691 -4.856 291 HB ILE 36 HB ILE 36 -8.132 -5.127 -3.623 292 HG12 ILE 36 HG12 ILE 36 -6.060 -7.362 -3.854 293 HG13 ILE 36 HG13 ILE 36 -5.903 -5.721 -4.468 294 HG21 ILE 36 HG21 ILE 36 -8.231 -7.966 -2.509 295 HG22 ILE 36 HG22 ILE 36 -8.277 -6.440 -1.600 296 HG23 ILE 36 HG23 ILE 36 -9.632 -6.876 -2.622 297 HD11 ILE 36 HD11 ILE 36 -4.618 -5.893 -2.471 298 HD12 ILE 36 HD12 ILE 36 -6.010 -4.841 -2.140 299 HD13 ILE 36 HD13 ILE 36 -5.980 -6.523 -1.545 300 HA PRO 37 HA PRO 37 -8.373 -4.730 -8.747 301 HB2 PRO 37 HB2 PRO 37 -10.751 -3.525 -9.364 302 HB3 PRO 37 HB3 PRO 37 -10.557 -5.302 -9.468 303 HG2 PRO 37 HG2 PRO 37 -11.723 -3.684 -7.178 304 HG3 PRO 37 HG3 PRO 37 -12.435 -5.114 -7.996 305 HD2 PRO 37 HD2 PRO 37 -10.987 -5.287 -5.671 306 HD3 PRO 37 HD3 PRO 37 -10.952 -6.575 -6.914 307 HA PRO 38 HA PRO 38 -7.607 -0.670 -7.050 308 HB2 PRO 38 HB2 PRO 38 -7.384 0.992 -9.281 309 HB3 PRO 38 HB3 PRO 38 -6.177 -0.196 -8.772 310 HG2 PRO 38 HG2 PRO 38 -8.063 -0.336 -11.052 311 HG3 PRO 38 HG3 PRO 38 -6.531 -1.203 -10.781 312 HD2 PRO 38 HD2 PRO 38 -9.222 -2.175 -10.375 313 HD3 PRO 38 HD3 PRO 38 -7.686 -3.042 -10.092 314 H ASP 39 H ASP 39 -10.049 -1.274 -6.499 315 HA ASP 39 HA ASP 39 -11.625 1.202 -6.567 316 HB2 ASP 39 HB2 ASP 39 -12.478 -0.234 -8.396 317 HB3 ASP 39 HB3 ASP 39 -12.646 -1.573 -7.255 318 H GLN 40 H GLN 40 -12.504 1.523 -4.627 319 HA GLN 40 HA GLN 40 -12.720 1.528 -2.382 320 HB2 GLN 40 HB2 GLN 40 -13.407 -1.420 -2.691 321 HB3 GLN 40 HB3 GLN 40 -13.867 -0.343 -1.387 322 HG2 GLN 40 HG2 GLN 40 -14.911 -0.412 -4.218 323 HG3 GLN 40 HG3 GLN 40 -15.790 -0.674 -2.721 324 HE21 GLN 40 HE21 GLN 40 -16.083 2.916 -4.280 325 HE22 GLN 40 HE22 GLN 40 -15.754 1.415 -5.119 326 H ASN 41 H ASN 41 -10.070 1.389 -3.139 327 HA ASN 41 HA ASN 41 -9.003 0.113 -0.770 328 HB2 ASN 41 HB2 ASN 41 -8.321 -0.788 -3.585 329 HB3 ASN 41 HB3 ASN 41 -7.054 -0.795 -2.363 330 HD21 ASN 41 HD21 ASN 41 -10.099 -3.568 -2.186 331 HD22 ASN 41 HD22 ASN 41 -10.037 -2.352 -3.423 332 H ARG 42 H ARG 42 -7.261 1.216 0.062 333 HA ARG 42 HA ARG 42 -5.746 3.153 -1.510 334 HB2 ARG 42 HB2 ARG 42 -7.679 4.501 -0.861 335 HB3 ARG 42 HB3 ARG 42 -7.496 4.008 0.842 336 HG2 ARG 42 HG2 ARG 42 -5.324 5.177 0.939 337 HG3 ARG 42 HG3 ARG 42 -5.449 5.616 -0.771 338 HD2 ARG 42 HD2 ARG 42 -7.511 6.414 1.342 339 HD3 ARG 42 HD3 ARG 42 -6.112 7.402 0.944 340 HE ARG 42 HE ARG 42 -8.538 7.062 -0.638 341 HH11 ARG 42 HH11 ARG 42 -5.105 8.013 -0.897 342 HH12 ARG 42 HH12 ARG 42 -5.473 9.263 -2.058 343 HH21 ARG 42 HH21 ARG 42 -8.903 8.637 -2.259 344 HH22 ARG 42 HH22 ARG 42 -7.594 9.600 -2.845 345 H LEU 43 H LEU 43 -3.707 3.191 -0.674 346 HA LEU 43 HA LEU 43 -3.076 1.355 1.505 347 HB2 LEU 43 HB2 LEU 43 -1.945 1.534 -0.792 348 HB3 LEU 43 HB3 LEU 43 -1.298 3.086 -0.267 349 HG LEU 43 HG LEU 43 -0.144 1.845 1.637 350 HD11 LEU 43 HD11 LEU 43 -1.500 -0.217 1.700 351 HD12 LEU 43 HD12 LEU 43 -1.015 -0.606 0.037 352 HD13 LEU 43 HD13 LEU 43 0.187 -0.600 1.343 353 HD21 LEU 43 HD21 LEU 43 1.609 0.914 0.086 354 HD22 LEU 43 HD22 LEU 43 0.470 1.085 -1.260 355 HD23 LEU 43 HD23 LEU 43 1.053 2.520 -0.388 356 H ILE 44 H ILE 44 -2.215 1.968 3.501 357 HA ILE 44 HA ILE 44 -1.856 4.867 4.117 358 HB ILE 44 HB ILE 44 -3.071 2.752 5.933 359 HG12 ILE 44 HG12 ILE 44 -4.671 2.950 4.100 360 HG13 ILE 44 HG13 ILE 44 -5.290 3.537 5.619 361 HG21 ILE 44 HG21 ILE 44 -3.907 4.669 7.254 362 HG22 ILE 44 HG22 ILE 44 -2.148 4.650 7.147 363 HG23 ILE 44 HG23 ILE 44 -3.088 5.784 6.157 364 HD11 ILE 44 HD11 ILE 44 -5.982 4.971 3.730 365 HD12 ILE 44 HD12 ILE 44 -5.027 5.863 4.915 366 HD13 ILE 44 HD13 ILE 44 -4.300 5.338 3.379 367 H PHE 45 H PHE 45 -0.114 5.286 5.597 368 HA PHE 45 HA PHE 45 1.316 2.956 6.770 369 HB2 PHE 45 HB2 PHE 45 2.608 3.431 4.760 370 HB3 PHE 45 HB3 PHE 45 2.689 5.143 5.176 371 HD1 PHE 45 HD1 PHE 45 3.405 1.799 6.868 372 HD2 PHE 45 HD2 PHE 45 4.702 5.870 6.182 373 HE1 PHE 45 HE1 PHE 45 5.377 1.434 8.303 374 HE2 PHE 45 HE2 PHE 45 6.678 5.471 7.600 375 HZ PHE 45 HZ PHE 45 7.033 3.259 8.659 376 H ALA 46 H ALA 46 1.505 3.299 8.865 377 HA ALA 46 HA ALA 46 1.378 4.300 10.915 378 HB1 ALA 46 HB1 ALA 46 3.204 6.345 9.595 379 HB2 ALA 46 HB2 ALA 46 3.021 6.056 11.338 380 HB3 ALA 46 HB3 ALA 46 3.712 4.797 10.301 381 H GLY 47 H GLY 47 -0.845 4.729 9.420 382 HA2 GLY 47 HA2 GLY 47 -2.832 5.840 9.656 383 HA3 GLY 47 HA3 GLY 47 -2.025 7.057 10.645 384 H LYS 48 H LYS 48 -0.036 7.341 8.115 385 HA LYS 48 HA LYS 48 -1.546 9.571 7.035 386 HB2 LYS 48 HB2 LYS 48 0.929 9.560 7.494 387 HB3 LYS 48 HB3 LYS 48 1.138 8.462 6.129 388 HG2 LYS 48 HG2 LYS 48 0.769 10.074 4.551 389 HG3 LYS 48 HG3 LYS 48 -0.448 10.924 5.504 390 HD2 LYS 48 HD2 LYS 48 2.523 11.008 6.159 391 HD3 LYS 48 HD3 LYS 48 1.704 12.195 5.125 392 HE2 LYS 48 HE2 LYS 48 0.284 12.958 6.880 393 HE3 LYS 48 HE3 LYS 48 0.698 11.599 7.935 394 HZ1 LYS 48 HZ1 LYS 48 2.900 12.449 8.158 395 HZ2 LYS 48 HZ2 LYS 48 2.598 13.698 7.102 396 HZ3 LYS 48 HZ3 LYS 48 1.862 13.634 8.567 397 H GLN 49 H GLN 49 -2.716 9.602 5.216 398 HA GLN 49 HA GLN 49 -3.248 7.138 3.805 399 HB2 GLN 49 HB2 GLN 49 -4.109 9.964 3.037 400 HB3 GLN 49 HB3 GLN 49 -4.831 8.449 2.533 401 HG2 GLN 49 HG2 GLN 49 -6.327 9.310 4.112 402 HG3 GLN 49 HG3 GLN 49 -5.471 8.046 4.981 403 HE21 GLN 49 HE21 GLN 49 -5.472 10.645 7.494 404 HE22 GLN 49 HE22 GLN 49 -6.248 9.173 6.975 405 H LEU 50 H LEU 50 -2.395 6.499 1.842 406 HA LEU 50 HA LEU 50 -0.416 8.291 0.559 407 HB2 LEU 50 HB2 LEU 50 -0.428 5.280 0.355 408 HB3 LEU 50 HB3 LEU 50 0.875 6.405 0.004 409 HG LEU 50 HG LEU 50 -0.126 5.611 2.776 410 HD11 LEU 50 HD11 LEU 50 2.396 4.916 1.208 411 HD12 LEU 50 HD12 LEU 50 2.078 4.467 2.887 412 HD13 LEU 50 HD13 LEU 50 1.052 3.827 1.604 413 HD21 LEU 50 HD21 LEU 50 0.810 7.945 2.744 414 HD22 LEU 50 HD22 LEU 50 1.787 6.810 3.681 415 HD23 LEU 50 HD23 LEU 50 2.299 7.284 2.048 416 H GLU 51 H GLU 51 -0.231 8.034 -1.746 417 HA GLU 51 HA GLU 51 -2.000 6.524 -3.321 418 HB2 GLU 51 HB2 GLU 51 -3.249 8.287 -4.394 419 HB3 GLU 51 HB3 GLU 51 -3.625 8.183 -2.684 420 HG2 GLU 51 HG2 GLU 51 -1.966 10.131 -2.347 421 HG3 GLU 51 HG3 GLU 51 -1.987 10.301 -4.111 422 H ASP 52 H ASP 52 -1.673 7.443 -5.675 423 HA ASP 52 HA ASP 52 1.104 7.293 -6.184 424 HB2 ASP 52 HB2 ASP 52 0.520 7.305 -8.499 425 HB3 ASP 52 HB3 ASP 52 -0.641 6.312 -7.641 426 H GLY 53 H GLY 53 2.209 8.616 -7.678 427 HA2 GLY 53 HA2 GLY 53 2.783 10.683 -8.638 428 HA3 GLY 53 HA3 GLY 53 1.894 11.545 -7.355 429 H ARG 54 H ARG 54 2.882 9.618 -5.281 430 HA ARG 54 HA ARG 54 5.669 10.669 -4.932 431 HB2 ARG 54 HB2 ARG 54 3.469 9.892 -2.991 432 HB3 ARG 54 HB3 ARG 54 5.145 10.115 -2.486 433 HG2 ARG 54 HG2 ARG 54 5.027 12.459 -3.497 434 HG3 ARG 54 HG3 ARG 54 3.281 12.187 -3.672 435 HD2 ARG 54 HD2 ARG 54 3.550 11.417 -1.092 436 HD3 ARG 54 HD3 ARG 54 4.939 12.499 -1.185 437 HE ARG 54 HE ARG 54 2.847 13.945 -2.265 438 HH11 ARG 54 HH11 ARG 54 3.896 12.668 0.858 439 HH12 ARG 54 HH12 ARG 54 2.784 13.593 1.805 440 HH21 ARG 54 HH21 ARG 54 1.501 15.359 -1.024 441 HH22 ARG 54 HH22 ARG 54 1.605 15.359 0.713 442 H THR 55 H THR 55 7.035 9.266 -3.583 443 HA THR 55 HA THR 55 6.798 6.377 -4.206 444 HB THR 55 HB THR 55 9.243 6.405 -4.368 445 HG1 THR 55 HG1 THR 55 9.003 9.243 -4.033 446 HG21 THR 55 HG21 THR 55 9.554 7.571 -6.489 447 HG22 THR 55 HG22 THR 55 8.047 6.652 -6.453 448 HG23 THR 55 HG23 THR 55 8.018 8.428 -6.271 449 H LEU 56 H LEU 56 8.303 5.086 -2.721 450 HA LEU 56 HA LEU 56 7.476 5.349 -0.028 451 HB2 LEU 56 HB2 LEU 56 9.749 3.817 -1.329 452 HB3 LEU 56 HB3 LEU 56 9.627 3.931 0.424 453 HG LEU 56 HG LEU 56 7.207 3.110 0.219 454 HD11 LEU 56 HD11 LEU 56 8.243 2.490 -2.563 455 HD12 LEU 56 HD12 LEU 56 6.923 1.576 -1.841 456 HD13 LEU 56 HD13 LEU 56 6.743 3.322 -2.140 457 HD21 LEU 56 HD21 LEU 56 9.458 1.231 -0.553 458 HD22 LEU 56 HD22 LEU 56 9.056 1.778 1.104 459 HD23 LEU 56 HD23 LEU 56 7.904 0.797 0.206 460 H SER 57 H SER 57 10.420 6.560 -1.630 461 HA SER 57 HA SER 57 11.823 7.408 0.666 462 HB2 SER 57 HB2 SER 57 12.769 7.185 -1.633 463 HB3 SER 57 HB3 SER 57 11.789 8.560 -2.169 464 HG SER 57 HG SER 57 13.928 9.134 -1.660 465 H ASP 58 H ASP 58 9.429 9.134 -1.429 466 HA ASP 58 HA ASP 58 9.606 11.644 -0.146 467 HB2 ASP 58 HB2 ASP 58 7.131 10.379 -1.388 468 HB3 ASP 58 HB3 ASP 58 7.321 12.074 -0.966 469 H TYR 59 H TYR 59 7.495 8.829 0.560 470 HA TYR 59 HA TYR 59 6.327 10.127 2.916 471 HB2 TYR 59 HB2 TYR 59 6.064 7.386 1.668 472 HB3 TYR 59 HB3 TYR 59 5.254 7.824 3.157 473 HD1 TYR 59 HD1 TYR 59 3.791 10.061 3.089 474 HD2 TYR 59 HD2 TYR 59 4.849 7.660 -0.342 475 HE1 TYR 59 HE1 TYR 59 1.766 10.849 1.921 476 HE2 TYR 59 HE2 TYR 59 2.812 8.433 -1.503 477 HH TYR 59 HH TYR 59 1.059 10.007 -1.489 478 H ASN 60 H ASN 60 9.359 8.824 2.573 479 HA ASN 60 HA ASN 60 10.933 7.978 3.941 480 HB2 ASN 60 HB2 ASN 60 10.553 10.091 5.046 481 HB3 ASN 60 HB3 ASN 60 9.226 9.408 5.980 482 HD21 ASN 60 HD21 ASN 60 11.436 8.814 8.655 483 HD22 ASN 60 HD22 ASN 60 9.957 9.556 8.060 484 H ILE 61 H ILE 61 9.170 6.118 3.133 485 HA ILE 61 HA ILE 61 8.347 4.397 5.374 486 HB ILE 61 HB ILE 61 8.198 4.055 2.346 487 HG12 ILE 61 HG12 ILE 61 6.063 4.757 4.394 488 HG13 ILE 61 HG13 ILE 61 6.801 5.895 3.289 489 HG21 ILE 61 HG21 ILE 61 6.890 2.366 4.541 490 HG22 ILE 61 HG22 ILE 61 6.695 2.145 2.786 491 HG23 ILE 61 HG23 ILE 61 8.255 1.849 3.524 492 HD11 ILE 61 HD11 ILE 61 4.620 5.316 2.474 493 HD12 ILE 61 HD12 ILE 61 5.831 4.652 1.363 494 HD13 ILE 61 HD13 ILE 61 4.987 3.590 2.518 495 H GLN 62 H GLN 62 9.726 2.886 6.237 496 HA GLN 62 HA GLN 62 12.317 2.412 4.864 497 HB2 GLN 62 HB2 GLN 62 11.483 1.663 7.697 498 HB3 GLN 62 HB3 GLN 62 13.103 1.613 7.016 499 HG2 GLN 62 HG2 GLN 62 11.450 4.092 7.597 500 HG3 GLN 62 HG3 GLN 62 12.941 3.586 8.387 501 HE21 GLN 62 HE21 GLN 62 13.210 6.029 5.226 502 HE22 GLN 62 HE22 GLN 62 11.812 5.839 6.245 503 H LYS 63 H LYS 63 13.208 0.110 5.454 504 HA LYS 63 HA LYS 63 11.529 -1.769 4.001 505 HB2 LYS 63 HB2 LYS 63 13.379 -3.247 4.087 506 HB3 LYS 63 HB3 LYS 63 14.003 -1.650 3.707 507 HG2 LYS 63 HG2 LYS 63 14.737 -1.373 6.082 508 HG3 LYS 63 HG3 LYS 63 14.093 -2.986 6.451 509 HD2 LYS 63 HD2 LYS 63 15.607 -3.870 4.577 510 HD3 LYS 63 HD3 LYS 63 16.390 -2.280 4.589 511 HE2 LYS 63 HE2 LYS 63 16.931 -2.574 6.991 512 HE3 LYS 63 HE3 LYS 63 16.078 -4.129 6.987 513 HZ1 LYS 63 HZ1 LYS 63 18.425 -4.435 6.787 514 HZ2 LYS 63 HZ2 LYS 63 17.687 -4.946 5.403 515 HZ3 LYS 63 HZ3 LYS 63 18.500 -3.501 5.429 516 H GLU 64 H GLU 64 10.949 -3.885 4.795 517 HA GLU 64 HA GLU 64 9.659 -5.109 6.115 518 HB2 GLU 64 HB2 GLU 64 11.911 -4.402 8.031 519 HB3 GLU 64 HB3 GLU 64 10.631 -5.534 8.430 520 HG2 GLU 64 HG2 GLU 64 12.357 -6.896 7.678 521 HG3 GLU 64 HG3 GLU 64 11.206 -6.855 6.347 522 H SER 65 H SER 65 8.656 -2.472 5.751 523 HA SER 65 HA SER 65 7.561 -1.609 8.327 524 HB2 SER 65 HB2 SER 65 6.487 0.135 6.773 525 HB3 SER 65 HB3 SER 65 8.243 0.197 6.991 526 HG SER 65 HG SER 65 8.521 -0.213 4.982 527 H THR 66 H THR 66 5.103 -1.336 8.486 528 HA THR 66 HA THR 66 3.676 -3.376 6.860 529 HB THR 66 HB THR 66 3.416 -2.900 9.840 530 HG1 THR 66 HG1 THR 66 3.845 -5.421 8.822 531 HG21 THR 66 HG21 THR 66 1.805 -4.868 9.633 532 HG22 THR 66 HG22 THR 66 1.200 -3.347 8.971 533 HG23 THR 66 HG23 THR 66 1.808 -4.599 7.879 534 H LEU 67 H LEU 67 2.486 -2.358 5.524 535 HA LEU 67 HA LEU 67 1.177 0.210 6.224 536 HB2 LEU 67 HB2 LEU 67 1.570 -1.287 3.599 537 HB3 LEU 67 HB3 LEU 67 0.702 0.224 3.776 538 HG LEU 67 HG LEU 67 2.820 1.262 4.695 539 HD11 LEU 67 HD11 LEU 67 4.078 -1.330 3.723 540 HD12 LEU 67 HD12 LEU 67 4.989 0.189 3.855 541 HD13 LEU 67 HD13 LEU 67 4.298 -0.524 5.292 542 HD21 LEU 67 HD21 LEU 67 3.788 1.588 2.450 543 HD22 LEU 67 HD22 LEU 67 2.880 0.186 1.858 544 HD23 LEU 67 HD23 LEU 67 2.030 1.656 2.421 545 H HIS 68 H HIS 68 -1.085 0.463 5.578 546 HA HIS 68 HA HIS 68 -2.697 -2.045 5.881 547 HB2 HIS 68 HB2 HIS 68 -2.776 0.553 7.355 548 HB3 HIS 68 HB3 HIS 68 -4.336 -0.053 6.817 549 HD1 HIS 68 HD1 HIS 68 -1.713 -0.773 9.466 550 HD2 HIS 68 HD2 HIS 68 -5.113 -2.543 7.661 551 HE1 HIS 68 HE1 HIS 68 -2.569 -2.543 11.065 552 H LEU 69 H LEU 69 -4.850 -1.985 4.995 553 HA LEU 69 HA LEU 69 -5.183 -0.235 2.629 554 HB2 LEU 69 HB2 LEU 69 -5.389 -3.217 3.031 555 HB3 LEU 69 HB3 LEU 69 -6.353 -2.491 1.788 556 HG LEU 69 HG LEU 69 -3.336 -2.075 1.983 557 HD11 LEU 69 HD11 LEU 69 -3.098 -3.734 0.169 558 HD12 LEU 69 HD12 LEU 69 -3.714 -4.453 1.642 559 HD13 LEU 69 HD13 LEU 69 -4.823 -4.121 0.290 560 HD21 LEU 69 HD21 LEU 69 -5.156 -1.726 -0.434 561 HD22 LEU 69 HD22 LEU 69 -4.572 -0.395 0.579 562 HD23 LEU 69 HD23 LEU 69 -3.420 -1.368 -0.330 563 H VAL 70 H VAL 70 -7.044 0.934 2.674 564 HA VAL 70 HA VAL 70 -9.365 -0.015 4.250 565 HB VAL 70 HB VAL 70 -9.619 2.090 5.416 566 HG11 VAL 70 HG11 VAL 70 -6.715 1.302 5.843 567 HG12 VAL 70 HG12 VAL 70 -7.830 2.072 6.991 568 HG13 VAL 70 HG13 VAL 70 -8.109 0.410 6.478 569 HG21 VAL 70 HG21 VAL 70 -7.144 3.009 3.915 570 HG22 VAL 70 HG22 VAL 70 -8.768 3.711 3.838 571 HG23 VAL 70 HG23 VAL 70 -7.825 3.867 5.317 572 H LEU 71 H LEU 71 -11.325 1.395 3.928 573 HA LEU 71 HA LEU 71 -11.390 2.962 1.453 574 HB2 LEU 71 HB2 LEU 71 -13.120 1.773 0.419 575 HB3 LEU 71 HB3 LEU 71 -11.926 0.582 0.842 576 HG LEU 71 HG LEU 71 -13.875 0.833 3.026 577 HD11 LEU 71 HD11 LEU 71 -15.093 0.027 0.360 578 HD12 LEU 71 HD12 LEU 71 -15.872 0.089 1.940 579 HD13 LEU 71 HD13 LEU 71 -15.379 1.585 1.144 580 HD21 LEU 71 HD21 LEU 71 -14.122 -1.574 2.676 581 HD22 LEU 71 HD22 LEU 71 -13.224 -1.463 1.150 582 HD23 LEU 71 HD23 LEU 71 -12.414 -1.098 2.693 583 H ARG 72 H ARG 72 -14.053 3.463 1.285 584 HA ARG 72 HA ARG 72 -15.216 4.229 3.813 585 HB2 ARG 72 HB2 ARG 72 -13.486 6.134 2.627 586 HB3 ARG 72 HB3 ARG 72 -15.041 6.534 1.923 587 HG2 ARG 72 HG2 ARG 72 -14.843 7.858 3.900 588 HG3 ARG 72 HG3 ARG 72 -15.979 6.567 4.288 589 HD2 ARG 72 HD2 ARG 72 -13.871 5.289 5.172 590 HD3 ARG 72 HD3 ARG 72 -13.068 6.863 5.135 591 HE ARG 72 HE ARG 72 -15.294 7.444 6.527 592 HH11 ARG 72 HH11 ARG 72 -13.048 4.652 6.973 593 HH12 ARG 72 HH12 ARG 72 -13.467 4.485 8.617 594 HH21 ARG 72 HH21 ARG 72 -15.767 7.173 8.671 595 HH22 ARG 72 HH22 ARG 72 -15.083 5.874 9.621 596 H LEU 73 H LEU 73 -17.444 4.085 3.438 597 HA LEU 73 HA LEU 73 -18.460 4.265 0.690 598 HB2 LEU 73 HB2 LEU 73 -17.695 1.777 1.661 599 HB3 LEU 73 HB3 LEU 73 -19.362 1.825 2.193 600 HG LEU 73 HG LEU 73 -18.498 2.416 -0.676 601 HD11 LEU 73 HD11 LEU 73 -19.396 -0.248 0.485 602 HD12 LEU 73 HD12 LEU 73 -19.039 0.121 -1.231 603 HD13 LEU 73 HD13 LEU 73 -17.744 0.157 -0.038 604 HD21 LEU 73 HD21 LEU 73 -21.185 1.606 0.538 605 HD22 LEU 73 HD22 LEU 73 -20.753 3.185 -0.176 606 HD23 LEU 73 HD23 LEU 73 -20.852 1.763 -1.201 607 H ARG 74 H ARG 74 -20.491 5.271 0.847 608 HA ARG 74 HA ARG 74 -21.580 5.547 3.616 609 HB2 ARG 74 HB2 ARG 74 -21.800 7.422 1.235 610 HB3 ARG 74 HB3 ARG 74 -22.653 7.632 2.761 611 HG2 ARG 74 HG2 ARG 74 -19.654 7.753 2.276 612 HG3 ARG 74 HG3 ARG 74 -20.711 9.072 2.751 613 HD2 ARG 74 HD2 ARG 74 -19.993 6.639 4.471 614 HD3 ARG 74 HD3 ARG 74 -19.327 8.249 4.632 615 HE ARG 74 HE ARG 74 -22.036 7.347 5.382 616 HH11 ARG 74 HH11 ARG 74 -19.877 10.194 5.021 617 HH12 ARG 74 HH12 ARG 74 -21.037 11.246 5.751 618 HH21 ARG 74 HH21 ARG 74 -23.333 8.735 6.673 619 HH22 ARG 74 HH22 ARG 74 -22.875 10.382 6.895 620 H GLY 75 H GLY 75 -22.137 3.994 0.675 621 HA2 GLY 75 HA2 GLY 75 -25.056 3.867 0.941 622 HA3 GLY 75 HA3 GLY 75 -24.036 3.040 -0.254 623 H GLY 76 H GLY 76 -23.037 2.811 3.114 624 HA2 GLY 76 HA2 GLY 76 -24.339 0.817 4.310 625 HA3 GLY 76 HA3 GLY 76 -23.157 -0.021 3.266
Contact the webmaster for help, if required. Thursday, July 4, 2024 7:22:21 PM GMT (wattos1)