NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640847 | 5zd0 | 27356 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 11.582 -8.697 -0.947 2 HA MET 1 HA MET 1 12.251 -7.994 -3.743 3 HB2 MET 1 HB2 MET 1 12.842 -10.336 -3.074 4 HB3 MET 1 HB3 MET 1 11.121 -10.624 -2.722 5 HG2 MET 1 HG2 MET 1 10.557 -10.007 -5.053 6 HG3 MET 1 HG3 MET 1 12.267 -9.711 -5.389 7 HE1 MET 1 HE1 MET 1 12.311 -11.230 -7.476 8 HE2 MET 1 HE2 MET 1 11.598 -12.860 -7.535 9 HE3 MET 1 HE3 MET 1 10.558 -11.442 -7.256 10 H GLN 2 H GLN 2 9.619 -9.138 -1.547 11 HA GLN 2 HA GLN 2 7.715 -7.515 -3.174 12 HB2 GLN 2 HB2 GLN 2 7.425 -10.352 -2.118 13 HB3 GLN 2 HB3 GLN 2 6.040 -9.349 -2.607 14 HG2 GLN 2 HG2 GLN 2 7.059 -9.041 -4.848 15 HG3 GLN 2 HG3 GLN 2 8.406 -10.094 -4.372 16 HE21 GLN 2 HE21 GLN 2 5.585 -11.942 -6.233 17 HE22 GLN 2 HE22 GLN 2 6.354 -10.401 -6.540 18 H ILE 3 H ILE 3 5.562 -7.365 -1.800 19 HA ILE 3 HA ILE 3 6.181 -7.077 1.076 20 HB ILE 3 HB ILE 3 5.221 -4.805 1.091 21 HG12 ILE 3 HG12 ILE 3 5.276 -5.059 -1.949 22 HG13 ILE 3 HG13 ILE 3 3.810 -5.067 -0.944 23 HG21 ILE 3 HG21 ILE 3 7.143 -3.662 0.094 24 HG22 ILE 3 HG22 ILE 3 7.679 -5.171 0.865 25 HG23 ILE 3 HG23 ILE 3 7.506 -5.088 -0.905 26 HD11 ILE 3 HD11 ILE 3 5.815 -2.784 -1.192 27 HD12 ILE 3 HD12 ILE 3 4.167 -2.825 -1.854 28 HD13 ILE 3 HD13 ILE 3 4.415 -2.796 -0.093 29 H PHE 4 H PHE 4 3.982 -6.334 2.192 30 HA PHE 4 HA PHE 4 1.750 -7.788 0.866 31 HB2 PHE 4 HB2 PHE 4 2.809 -8.109 3.691 32 HB3 PHE 4 HB3 PHE 4 1.233 -8.707 3.160 33 HD1 PHE 4 HD1 PHE 4 1.019 -10.674 1.801 34 HD2 PHE 4 HD2 PHE 4 4.899 -9.086 2.745 35 HE1 PHE 4 HE1 PHE 4 2.073 -12.761 0.975 36 HE2 PHE 4 HE2 PHE 4 5.953 -11.170 1.907 37 HZ PHE 4 HZ PHE 4 4.540 -13.007 1.026 38 H VAL 5 H VAL 5 0.101 -6.430 0.621 39 HA VAL 5 HA VAL 5 -0.328 -4.323 2.688 40 HB VAL 5 HB VAL 5 -1.268 -4.472 -0.211 41 HG11 VAL 5 HG11 VAL 5 -2.051 -2.154 0.208 42 HG12 VAL 5 HG12 VAL 5 -2.875 -3.320 1.267 43 HG13 VAL 5 HG13 VAL 5 -1.564 -2.303 1.913 44 HG21 VAL 5 HG21 VAL 5 0.263 -2.543 -0.526 45 HG22 VAL 5 HG22 VAL 5 0.807 -2.709 1.159 46 HG23 VAL 5 HG23 VAL 5 1.143 -4.002 -0.020 47 H LYS 6 H LYS 6 -1.906 -4.898 4.108 48 HA LYS 6 HA LYS 6 -3.893 -6.893 3.158 49 HB2 LYS 6 HB2 LYS 6 -2.462 -7.429 5.153 50 HB3 LYS 6 HB3 LYS 6 -3.213 -6.059 6.004 51 HG2 LYS 6 HG2 LYS 6 -5.444 -7.091 5.699 52 HG3 LYS 6 HG3 LYS 6 -4.702 -8.438 4.806 53 HD2 LYS 6 HD2 LYS 6 -3.332 -8.976 6.831 54 HD3 LYS 6 HD3 LYS 6 -4.197 -7.698 7.719 55 HE2 LYS 6 HE2 LYS 6 -6.341 -8.847 7.252 56 HE3 LYS 6 HE3 LYS 6 -5.473 -10.136 6.395 57 HZ1 LYS 6 HZ1 LYS 6 -4.861 -9.447 9.172 58 HZ2 LYS 6 HZ2 LYS 6 -6.066 -10.516 8.786 59 HZ3 LYS 6 HZ3 LYS 6 -4.506 -10.828 8.355 60 H THR 7 H THR 7 -5.844 -6.157 2.620 61 HA THR 7 HA THR 7 -6.617 -3.436 2.932 62 HB THR 7 HB THR 7 -8.799 -4.265 2.084 63 HG1 THR 7 HG1 THR 7 -9.039 -6.483 1.797 64 HG21 THR 7 HG21 THR 7 -6.394 -5.582 0.747 65 HG22 THR 7 HG22 THR 7 -7.959 -5.232 -0.024 66 HG23 THR 7 HG23 THR 7 -6.911 -3.897 0.508 67 H ALA 8 H ALA 8 -8.743 -2.793 4.001 68 HA ALA 8 HA ALA 8 -8.660 -3.528 6.802 69 HB1 ALA 8 HB1 ALA 8 -10.573 -1.957 6.961 70 HB2 ALA 8 HB2 ALA 8 -9.211 -1.246 6.063 71 HB3 ALA 8 HB3 ALA 8 -10.630 -1.862 5.185 72 H THR 9 H THR 9 -10.073 -4.899 3.990 73 HA THR 9 HA THR 9 -12.397 -6.027 5.361 74 HB THR 9 HB THR 9 -12.697 -7.252 3.223 75 HG1 THR 9 HG1 THR 9 -11.226 -6.697 1.532 76 HG21 THR 9 HG21 THR 9 -12.049 -4.292 2.878 77 HG22 THR 9 HG22 THR 9 -13.099 -5.263 1.822 78 HG23 THR 9 HG23 THR 9 -13.579 -4.949 3.506 79 H GLY 10 H GLY 10 -9.053 -6.598 5.307 80 HA2 GLY 10 HA2 GLY 10 -8.055 -8.174 6.732 81 HA3 GLY 10 HA3 GLY 10 -9.501 -9.194 6.630 82 H LYS 11 H LYS 11 -8.823 -8.190 3.485 83 HA LYS 11 HA LYS 11 -7.730 -10.845 2.881 84 HB2 LYS 11 HB2 LYS 11 -8.659 -8.528 1.143 85 HB3 LYS 11 HB3 LYS 11 -8.025 -10.066 0.510 86 HG2 LYS 11 HG2 LYS 11 -9.774 -11.279 1.843 87 HG3 LYS 11 HG3 LYS 11 -10.471 -9.706 2.294 88 HD2 LYS 11 HD2 LYS 11 -10.889 -9.185 -0.069 89 HD3 LYS 11 HD3 LYS 11 -10.084 -10.693 -0.565 90 HE2 LYS 11 HE2 LYS 11 -11.777 -11.995 0.712 91 HE3 LYS 11 HE3 LYS 11 -12.603 -10.482 1.136 92 HZ1 LYS 11 HZ1 LYS 11 -12.185 -11.502 -1.589 93 HZ2 LYS 11 HZ2 LYS 11 -13.603 -11.542 -0.750 94 HZ3 LYS 11 HZ3 LYS 11 -12.950 -10.097 -1.197 95 H THR 12 H THR 12 -5.679 -11.312 2.437 96 HA THR 12 HA THR 12 -3.642 -9.226 2.619 97 HB THR 12 HB THR 12 -3.366 -12.202 2.049 98 HG1 THR 12 HG1 THR 12 -3.272 -12.426 4.279 99 HG21 THR 12 HG21 THR 12 -1.513 -10.186 3.386 100 HG22 THR 12 HG22 THR 12 -1.169 -11.911 3.126 101 HG23 THR 12 HG23 THR 12 -1.328 -10.820 1.731 102 H ILE 13 H ILE 13 -2.424 -8.427 0.941 103 HA ILE 13 HA ILE 13 -2.808 -9.650 -1.737 104 HB ILE 13 HB ILE 13 -2.743 -6.666 -1.164 105 HG12 ILE 13 HG12 ILE 13 -5.084 -8.463 -1.933 106 HG13 ILE 13 HG13 ILE 13 -4.833 -7.726 -0.336 107 HG21 ILE 13 HG21 ILE 13 -3.325 -6.483 -3.547 108 HG22 ILE 13 HG22 ILE 13 -1.820 -7.406 -3.359 109 HG23 ILE 13 HG23 ILE 13 -3.346 -8.256 -3.695 110 HD11 ILE 13 HD11 ILE 13 -6.408 -6.370 -1.622 111 HD12 ILE 13 HD12 ILE 13 -4.893 -5.466 -1.393 112 HD13 ILE 13 HD13 ILE 13 -5.248 -6.234 -2.960 113 H THR 14 H THR 14 -0.865 -10.484 -2.238 114 HA THR 14 HA THR 14 1.633 -9.392 -1.255 115 HB THR 14 HB THR 14 1.101 -11.344 -3.533 116 HG1 THR 14 HG1 THR 14 1.556 -11.807 -0.769 117 HG21 THR 14 HG21 THR 14 3.525 -10.869 -1.742 118 HG22 THR 14 HG22 THR 14 3.387 -12.130 -2.990 119 HG23 THR 14 HG23 THR 14 3.394 -10.414 -3.458 120 H LEU 15 H LEU 15 2.746 -7.683 -2.124 121 HA LEU 15 HA LEU 15 1.938 -6.854 -4.867 122 HB2 LEU 15 HB2 LEU 15 1.154 -5.469 -2.766 123 HB3 LEU 15 HB3 LEU 15 2.830 -4.884 -2.772 124 HG LEU 15 HG LEU 15 2.503 -4.269 -5.217 125 HD11 LEU 15 HD11 LEU 15 0.120 -4.040 -5.958 126 HD12 LEU 15 HD12 LEU 15 0.596 -5.736 -5.724 127 HD13 LEU 15 HD13 LEU 15 -0.392 -4.911 -4.495 128 HD21 LEU 15 HD21 LEU 15 0.642 -3.009 -3.160 129 HD22 LEU 15 HD22 LEU 15 2.358 -2.610 -3.407 130 HD23 LEU 15 HD23 LEU 15 1.170 -2.245 -4.678 131 H GLU 16 H GLU 16 3.582 -5.671 -6.072 132 HA GLU 16 HA GLU 16 6.351 -6.026 -5.083 133 HB2 GLU 16 HB2 GLU 16 5.762 -7.999 -6.458 134 HB3 GLU 16 HB3 GLU 16 5.317 -6.925 -7.802 135 HG2 GLU 16 HG2 GLU 16 7.612 -6.066 -7.914 136 HG3 GLU 16 HG3 GLU 16 8.068 -7.035 -6.498 137 H VAL 17 H VAL 17 7.148 -3.988 -5.057 138 HA VAL 17 HA VAL 17 6.585 -2.263 -7.419 139 HB VAL 17 HB VAL 17 6.484 -0.325 -5.879 140 HG11 VAL 17 HG11 VAL 17 4.514 -2.543 -5.179 141 HG12 VAL 17 HG12 VAL 17 4.256 -0.798 -4.949 142 HG13 VAL 17 HG13 VAL 17 4.405 -1.464 -6.590 143 HG21 VAL 17 HG21 VAL 17 6.249 -0.706 -3.453 144 HG22 VAL 17 HG22 VAL 17 6.512 -2.449 -3.690 145 HG23 VAL 17 HG23 VAL 17 7.823 -1.294 -4.031 146 H GLU 18 H GLU 18 8.227 -0.456 -7.607 147 HA GLU 18 HA GLU 18 10.915 -1.505 -7.144 148 HB2 GLU 18 HB2 GLU 18 9.845 1.086 -8.336 149 HB3 GLU 18 HB3 GLU 18 11.566 0.676 -8.222 150 HG2 GLU 18 HG2 GLU 18 9.421 -0.627 -9.895 151 HG3 GLU 18 HG3 GLU 18 11.005 -0.007 -10.399 152 HA PRO 19 HA PRO 19 11.650 0.335 -3.284 153 HB2 PRO 19 HB2 PRO 19 14.324 1.200 -4.295 154 HB3 PRO 19 HB3 PRO 19 13.928 0.158 -2.892 155 HG2 PRO 19 HG2 PRO 19 14.927 -0.852 -5.245 156 HG3 PRO 19 HG3 PRO 19 13.753 -1.754 -4.231 157 HD2 PRO 19 HD2 PRO 19 13.280 -0.244 -6.781 158 HD3 PRO 19 HD3 PRO 19 12.482 -1.722 -6.160 159 H SER 20 H SER 20 12.163 2.278 -6.210 160 HA SER 20 HA SER 20 11.951 4.732 -4.531 161 HB2 SER 20 HB2 SER 20 13.617 4.259 -7.028 162 HB3 SER 20 HB3 SER 20 13.482 5.798 -6.145 163 HG SER 20 HG SER 20 14.401 3.338 -5.062 164 H ASP 21 H ASP 21 9.900 3.084 -6.191 165 HA ASP 21 HA ASP 21 9.189 5.064 -8.265 166 HB2 ASP 21 HB2 ASP 21 8.217 2.335 -7.456 167 HB3 ASP 21 HB3 ASP 21 7.110 3.421 -8.315 168 H THR 22 H THR 22 9.056 5.022 -5.016 169 HA THR 22 HA THR 22 8.013 6.423 -3.562 170 HB THR 22 HB THR 22 6.151 7.253 -5.819 171 HG1 THR 22 HG1 THR 22 8.267 7.525 -6.495 172 HG21 THR 22 HG21 THR 22 6.116 9.379 -4.531 173 HG22 THR 22 HG22 THR 22 5.495 8.014 -3.577 174 HG23 THR 22 HG23 THR 22 7.141 8.626 -3.287 175 H ILE 23 H ILE 23 6.087 6.487 -2.232 176 HA ILE 23 HA ILE 23 4.739 4.054 -1.934 177 HB ILE 23 HB ILE 23 3.974 6.886 -1.128 178 HG12 ILE 23 HG12 ILE 23 6.107 5.947 -0.206 179 HG13 ILE 23 HG13 ILE 23 4.881 6.282 1.030 180 HG21 ILE 23 HG21 ILE 23 2.528 5.707 0.591 181 HG22 ILE 23 HG22 ILE 23 1.937 5.602 -1.084 182 HG23 ILE 23 HG23 ILE 23 2.760 4.211 -0.343 183 HD11 ILE 23 HD11 ILE 23 5.996 4.099 1.405 184 HD12 ILE 23 HD12 ILE 23 4.256 3.905 1.105 185 HD13 ILE 23 HD13 ILE 23 5.429 3.540 -0.183 186 H GLU 24 H GLU 24 4.067 6.759 -4.092 187 HA GLU 24 HA GLU 24 1.342 6.384 -4.597 188 HB2 GLU 24 HB2 GLU 24 2.666 8.273 -5.437 189 HB3 GLU 24 HB3 GLU 24 3.601 7.176 -6.476 190 HG2 GLU 24 HG2 GLU 24 1.495 6.544 -7.657 191 HG3 GLU 24 HG3 GLU 24 0.609 7.717 -6.661 192 H ASN 25 H ASN 25 4.173 4.545 -5.746 193 HA ASN 25 HA ASN 25 2.773 3.173 -7.826 194 HB2 ASN 25 HB2 ASN 25 5.272 3.518 -7.560 195 HB3 ASN 25 HB3 ASN 25 5.243 2.244 -6.324 196 HD21 ASN 25 HD21 ASN 25 4.465 1.301 -10.306 197 HD22 ASN 25 HD22 ASN 25 4.135 2.906 -9.695 198 H VAL 26 H VAL 26 3.160 2.622 -4.345 199 HA VAL 26 HA VAL 26 2.385 -0.134 -4.349 200 HB VAL 26 HB VAL 26 2.092 2.012 -2.203 201 HG11 VAL 26 HG11 VAL 26 0.723 -0.006 -1.771 202 HG12 VAL 26 HG12 VAL 26 2.160 -1.028 -2.010 203 HG13 VAL 26 HG13 VAL 26 2.090 0.102 -0.639 204 HG21 VAL 26 HG21 VAL 26 4.314 -0.004 -2.741 205 HG22 VAL 26 HG22 VAL 26 4.420 1.753 -3.006 206 HG23 VAL 26 HG23 VAL 26 4.235 1.111 -1.358 207 H LYS 27 H LYS 27 0.631 2.949 -4.411 208 HA LYS 27 HA LYS 27 -1.946 1.674 -3.911 209 HB2 LYS 27 HB2 LYS 27 -1.182 4.480 -4.822 210 HB3 LYS 27 HB3 LYS 27 -2.816 3.957 -4.351 211 HG2 LYS 27 HG2 LYS 27 -1.919 3.297 -2.109 212 HG3 LYS 27 HG3 LYS 27 -0.331 3.943 -2.579 213 HD2 LYS 27 HD2 LYS 27 -2.924 5.548 -2.489 214 HD3 LYS 27 HD3 LYS 27 -1.664 5.566 -1.234 215 HE2 LYS 27 HE2 LYS 27 -0.015 6.340 -2.938 216 HE3 LYS 27 HE3 LYS 27 -1.318 6.399 -4.144 217 HZ1 LYS 27 HZ1 LYS 27 -1.198 7.956 -1.654 218 HZ2 LYS 27 HZ2 LYS 27 -0.930 8.533 -3.175 219 HZ3 LYS 27 HZ3 LYS 27 -2.432 7.999 -2.749 220 H ALA 28 H ALA 28 0.060 2.571 -6.686 221 HA ALA 28 HA ALA 28 -2.112 2.510 -8.586 222 HB1 ALA 28 HB1 ALA 28 -0.039 3.817 -8.925 223 HB2 ALA 28 HB2 ALA 28 0.901 2.306 -8.975 224 HB3 ALA 28 HB3 ALA 28 -0.297 2.652 -10.244 225 H LYS 29 H LYS 29 0.317 0.135 -7.420 226 HA LYS 29 HA LYS 29 -0.305 -1.798 -9.460 227 HB2 LYS 29 HB2 LYS 29 1.054 -1.964 -6.748 228 HB3 LYS 29 HB3 LYS 29 0.906 -3.353 -7.846 229 HG2 LYS 29 HG2 LYS 29 2.178 -0.709 -8.660 230 HG3 LYS 29 HG3 LYS 29 3.091 -2.094 -8.020 231 HD2 LYS 29 HD2 LYS 29 2.184 -3.521 -9.844 232 HD3 LYS 29 HD3 LYS 29 1.363 -2.097 -10.527 233 HE2 LYS 29 HE2 LYS 29 3.505 -0.964 -10.839 234 HE3 LYS 29 HE3 LYS 29 4.364 -2.302 -10.046 235 HZ1 LYS 29 HZ1 LYS 29 3.744 -3.726 -11.800 236 HZ2 LYS 29 HZ2 LYS 29 2.788 -2.579 -12.508 237 HZ3 LYS 29 HZ3 LYS 29 4.425 -2.384 -12.463 238 H ILE 30 H ILE 30 -1.865 -0.840 -6.481 239 HA ILE 30 HA ILE 30 -3.364 -3.386 -6.356 240 HB ILE 30 HB ILE 30 -3.369 -0.895 -4.604 241 HG12 ILE 30 HG12 ILE 30 -2.414 -3.742 -4.066 242 HG13 ILE 30 HG13 ILE 30 -1.342 -2.417 -4.566 243 HG21 ILE 30 HG21 ILE 30 -4.847 -3.553 -4.324 244 HG22 ILE 30 HG22 ILE 30 -4.772 -2.292 -3.074 245 HG23 ILE 30 HG23 ILE 30 -5.593 -1.963 -4.611 246 HD11 ILE 30 HD11 ILE 30 -3.081 -2.411 -2.063 247 HD12 ILE 30 HD12 ILE 30 -1.330 -2.713 -2.108 248 HD13 ILE 30 HD13 ILE 30 -1.970 -1.120 -2.572 249 H GLN 31 H GLN 31 -3.578 -0.153 -7.667 250 HA GLN 31 HA GLN 31 -6.391 0.145 -7.676 251 HB2 GLN 31 HB2 GLN 31 -4.767 1.943 -8.215 252 HB3 GLN 31 HB3 GLN 31 -4.343 1.097 -9.722 253 HG2 GLN 31 HG2 GLN 31 -6.700 1.260 -10.469 254 HG3 GLN 31 HG3 GLN 31 -7.117 2.110 -8.970 255 HE21 GLN 31 HE21 GLN 31 -6.541 4.589 -11.763 256 HE22 GLN 31 HE22 GLN 31 -7.581 3.200 -11.540 257 H ASP 32 H ASP 32 -4.160 -1.637 -9.818 258 HA ASP 32 HA ASP 32 -6.274 -2.307 -11.711 259 HB2 ASP 32 HB2 ASP 32 -3.927 -2.043 -12.415 260 HB3 ASP 32 HB3 ASP 32 -3.448 -3.375 -11.343 261 H LYS 33 H LYS 33 -4.876 -3.650 -8.769 262 HA LYS 33 HA LYS 33 -5.764 -6.349 -9.333 263 HB2 LYS 33 HB2 LYS 33 -3.717 -5.601 -7.974 264 HB3 LYS 33 HB3 LYS 33 -4.856 -5.213 -6.668 265 HG2 LYS 33 HG2 LYS 33 -3.976 -7.460 -6.326 266 HG3 LYS 33 HG3 LYS 33 -5.693 -7.587 -6.774 267 HD2 LYS 33 HD2 LYS 33 -5.097 -8.141 -9.076 268 HD3 LYS 33 HD3 LYS 33 -3.378 -7.830 -8.745 269 HE2 LYS 33 HE2 LYS 33 -3.339 -9.684 -7.129 270 HE3 LYS 33 HE3 LYS 33 -5.068 -9.980 -7.407 271 HZ1 LYS 33 HZ1 LYS 33 -3.649 -11.448 -8.672 272 HZ2 LYS 33 HZ2 LYS 33 -4.578 -10.510 -9.660 273 HZ3 LYS 33 HZ3 LYS 33 -2.978 -10.164 -9.463 274 H GLU 34 H GLU 34 -6.637 -3.934 -6.773 275 HA GLU 34 HA GLU 34 -9.049 -5.508 -6.180 276 HB2 GLU 34 HB2 GLU 34 -7.510 -4.466 -4.430 277 HB3 GLU 34 HB3 GLU 34 -8.129 -2.885 -4.948 278 HG2 GLU 34 HG2 GLU 34 -9.359 -3.740 -2.979 279 HG3 GLU 34 HG3 GLU 34 -10.425 -3.590 -4.386 280 H GLY 35 H GLY 35 -8.063 -2.879 -8.181 281 HA2 GLY 35 HA2 GLY 35 -9.350 -1.820 -9.793 282 HA3 GLY 35 HA3 GLY 35 -10.811 -2.522 -9.078 283 H ILE 36 H ILE 36 -9.466 -1.331 -6.391 284 HA ILE 36 HA ILE 36 -11.178 0.983 -6.344 285 HB ILE 36 HB ILE 36 -9.016 0.071 -4.402 286 HG12 ILE 36 HG12 ILE 36 -12.025 -0.417 -4.393 287 HG13 ILE 36 HG13 ILE 36 -10.817 -1.608 -4.914 288 HG21 ILE 36 HG21 ILE 36 -10.422 1.408 -2.774 289 HG22 ILE 36 HG22 ILE 36 -9.624 2.401 -4.015 290 HG23 ILE 36 HG23 ILE 36 -11.354 2.014 -4.158 291 HD11 ILE 36 HD11 ILE 36 -11.031 -0.369 -2.139 292 HD12 ILE 36 HD12 ILE 36 -11.434 -2.039 -2.590 293 HD13 ILE 36 HD13 ILE 36 -9.746 -1.482 -2.665 294 HA PRO 37 HA PRO 37 -8.170 3.707 -8.226 295 HB2 PRO 37 HB2 PRO 37 -10.134 5.783 -7.378 296 HB3 PRO 37 HB3 PRO 37 -9.465 5.462 -9.009 297 HG2 PRO 37 HG2 PRO 37 -12.037 4.790 -8.314 298 HG3 PRO 37 HG3 PRO 37 -11.058 3.804 -9.450 299 HD2 PRO 37 HD2 PRO 37 -11.667 3.296 -6.549 300 HD3 PRO 37 HD3 PRO 37 -11.493 2.134 -7.899 301 HA PRO 38 HA PRO 38 -5.994 5.556 -4.869 302 HB2 PRO 38 HB2 PRO 38 -5.941 8.158 -6.343 303 HB3 PRO 38 HB3 PRO 38 -4.570 7.175 -5.734 304 HG2 PRO 38 HG2 PRO 38 -5.222 7.277 -8.398 305 HG3 PRO 38 HG3 PRO 38 -4.593 5.785 -7.625 306 HD2 PRO 38 HD2 PRO 38 -7.421 6.476 -8.378 307 HD3 PRO 38 HD3 PRO 38 -6.585 4.894 -8.418 308 H ASP 39 H ASP 39 -6.010 7.466 -3.328 309 HA ASP 39 HA ASP 39 -6.995 8.978 -1.973 310 HB2 ASP 39 HB2 ASP 39 -7.676 10.062 -4.155 311 HB3 ASP 39 HB3 ASP 39 -9.241 9.235 -3.994 312 H GLN 40 H GLN 40 -9.236 6.584 -3.419 313 HA GLN 40 HA GLN 40 -11.027 6.566 -1.152 314 HB2 GLN 40 HB2 GLN 40 -10.502 4.626 -3.438 315 HB3 GLN 40 HB3 GLN 40 -11.781 4.399 -2.221 316 HG2 GLN 40 HG2 GLN 40 -12.764 6.579 -2.826 317 HG3 GLN 40 HG3 GLN 40 -11.482 6.835 -4.026 318 HE21 GLN 40 HE21 GLN 40 -13.252 5.206 -6.563 319 HE22 GLN 40 HE22 GLN 40 -12.049 6.380 -6.077 320 H GLN 41 H GLN 41 -7.860 5.396 -1.768 321 HA GLN 41 HA GLN 41 -8.044 3.505 0.520 322 HB2 GLN 41 HB2 GLN 41 -6.183 2.305 -0.514 323 HB3 GLN 41 HB3 GLN 41 -7.516 2.467 -1.681 324 HG2 GLN 41 HG2 GLN 41 -6.367 4.500 -2.621 325 HG3 GLN 41 HG3 GLN 41 -5.001 4.186 -1.532 326 HE21 GLN 41 HE21 GLN 41 -5.610 1.892 -4.914 327 HE22 GLN 41 HE22 GLN 41 -6.846 2.984 -4.332 328 H ARG 42 H ARG 42 -6.130 3.410 1.909 329 HA ARG 42 HA ARG 42 -4.239 5.671 1.761 330 HB2 ARG 42 HB2 ARG 42 -6.215 5.163 4.017 331 HB3 ARG 42 HB3 ARG 42 -4.702 6.066 4.255 332 HG2 ARG 42 HG2 ARG 42 -5.354 7.674 2.510 333 HG3 ARG 42 HG3 ARG 42 -6.865 6.777 2.231 334 HD2 ARG 42 HD2 ARG 42 -6.049 8.042 4.875 335 HD3 ARG 42 HD3 ARG 42 -7.184 8.753 3.711 336 HE ARG 42 HE ARG 42 -8.542 6.619 4.047 337 HH11 ARG 42 HH11 ARG 42 -6.434 7.984 6.546 338 HH12 ARG 42 HH12 ARG 42 -7.341 7.290 7.870 339 HH21 ARG 42 HH21 ARG 42 -9.757 5.748 5.802 340 HH22 ARG 42 HH22 ARG 42 -9.233 6.027 7.446 341 H LEU 43 H LEU 43 -2.260 5.168 2.772 342 HA LEU 43 HA LEU 43 -2.045 2.317 3.613 343 HB2 LEU 43 HB2 LEU 43 -0.255 4.242 2.120 344 HB3 LEU 43 HB3 LEU 43 0.445 2.851 2.974 345 HG LEU 43 HG LEU 43 -1.808 2.594 0.946 346 HD11 LEU 43 HD11 LEU 43 0.242 3.504 -0.113 347 HD12 LEU 43 HD12 LEU 43 1.194 2.179 0.599 348 HD13 LEU 43 HD13 LEU 43 -0.057 1.824 -0.616 349 HD21 LEU 43 HD21 LEU 43 -1.076 0.216 0.947 350 HD22 LEU 43 HD22 LEU 43 0.136 0.595 2.192 351 HD23 LEU 43 HD23 LEU 43 -1.598 0.728 2.567 352 H ALA 44 H ALA 44 -0.545 1.768 5.281 353 HA ALA 44 HA ALA 44 0.667 3.874 6.895 354 HB1 ALA 44 HB1 ALA 44 -0.498 3.185 8.965 355 HB2 ALA 44 HB2 ALA 44 -1.643 3.843 7.772 356 HB3 ALA 44 HB3 ALA 44 -1.528 2.084 8.018 357 H PHE 45 H PHE 45 1.861 2.786 8.796 358 HA PHE 45 HA PHE 45 2.480 -0.058 8.264 359 HB2 PHE 45 HB2 PHE 45 4.052 1.492 6.994 360 HB3 PHE 45 HB3 PHE 45 4.633 2.061 8.563 361 HD1 PHE 45 HD1 PHE 45 5.307 0.045 10.239 362 HD2 PHE 45 HD2 PHE 45 5.252 -0.177 5.947 363 HE1 PHE 45 HE1 PHE 45 6.894 -1.856 10.316 364 HE2 PHE 45 HE2 PHE 45 6.843 -2.078 6.027 365 HZ PHE 45 HZ PHE 45 7.664 -2.917 8.211 366 H ALA 46 H ALA 46 1.831 -0.902 10.195 367 HA ALA 46 HA ALA 46 1.636 -1.223 12.437 368 HB1 ALA 46 HB1 ALA 46 4.064 -1.580 12.201 369 HB2 ALA 46 HB2 ALA 46 4.348 0.152 12.498 370 HB3 ALA 46 HB3 ALA 46 3.658 -0.869 13.780 371 H GLY 47 H GLY 47 0.791 1.447 11.160 372 HA2 GLY 47 HA2 GLY 47 -0.700 2.923 12.292 373 HA3 GLY 47 HA3 GLY 47 0.315 2.826 13.744 374 H LYS 48 H LYS 48 2.630 3.040 11.495 375 HA LYS 48 HA LYS 48 2.973 5.904 11.849 376 HB2 LYS 48 HB2 LYS 48 4.543 3.889 10.188 377 HB3 LYS 48 HB3 LYS 48 5.064 5.537 10.608 378 HG2 LYS 48 HG2 LYS 48 4.967 4.946 13.018 379 HG3 LYS 48 HG3 LYS 48 4.471 3.293 12.591 380 HD2 LYS 48 HD2 LYS 48 6.588 2.971 11.353 381 HD3 LYS 48 HD3 LYS 48 7.083 4.631 11.764 382 HE2 LYS 48 HE2 LYS 48 6.973 4.067 14.171 383 HE3 LYS 48 HE3 LYS 48 6.479 2.411 13.764 384 HZ1 LYS 48 HZ1 LYS 48 8.819 2.569 14.209 385 HZ2 LYS 48 HZ2 LYS 48 8.564 2.128 12.641 386 HZ3 LYS 48 HZ3 LYS 48 9.020 3.672 12.999 387 H GLN 49 H GLN 49 2.251 7.465 10.508 388 HA GLN 49 HA GLN 49 0.602 6.794 8.271 389 HB2 GLN 49 HB2 GLN 49 1.869 9.488 8.860 390 HB3 GLN 49 HB3 GLN 49 0.346 9.160 8.005 391 HG2 GLN 49 HG2 GLN 49 -0.633 8.273 10.095 392 HG3 GLN 49 HG3 GLN 49 0.901 8.552 10.945 393 HE21 GLN 49 HE21 GLN 49 -0.891 12.023 9.557 394 HE22 GLN 49 HE22 GLN 49 -0.626 10.665 8.489 395 H LEU 50 H LEU 50 1.250 6.174 6.279 396 HA LEU 50 HA LEU 50 4.005 6.819 5.426 397 HB2 LEU 50 HB2 LEU 50 1.778 5.223 4.086 398 HB3 LEU 50 HB3 LEU 50 3.434 5.400 3.473 399 HG LEU 50 HG LEU 50 2.616 4.113 6.108 400 HD11 LEU 50 HD11 LEU 50 2.477 3.035 3.599 401 HD12 LEU 50 HD12 LEU 50 4.145 2.635 4.031 402 HD13 LEU 50 HD13 LEU 50 2.815 2.083 5.073 403 HD21 LEU 50 HD21 LEU 50 4.785 5.250 6.341 404 HD22 LEU 50 HD22 LEU 50 5.017 3.489 6.283 405 HD23 LEU 50 HD23 LEU 50 5.367 4.478 4.845 406 H GLU 51 H GLU 51 4.408 7.985 3.445 407 HA GLU 51 HA GLU 51 2.115 9.444 2.304 408 HB2 GLU 51 HB2 GLU 51 3.010 10.770 4.249 409 HB3 GLU 51 HB3 GLU 51 4.569 10.871 3.404 410 HG2 GLU 51 HG2 GLU 51 3.531 12.064 1.546 411 HG3 GLU 51 HG3 GLU 51 1.916 11.808 2.236 412 H ASP 52 H ASP 52 2.519 10.229 0.191 413 HA ASP 52 HA ASP 52 4.709 8.825 -1.168 414 HB2 ASP 52 HB2 ASP 52 3.558 9.595 -3.213 415 HB3 ASP 52 HB3 ASP 52 2.462 8.729 -2.121 416 H GLY 53 H GLY 53 6.007 10.006 -2.815 417 HA2 GLY 53 HA2 GLY 53 6.945 12.082 -3.591 418 HA3 GLY 53 HA3 GLY 53 6.537 12.828 -2.032 419 H ARG 54 H ARG 54 7.594 9.735 -1.342 420 HA ARG 54 HA ARG 54 10.455 10.487 -1.262 421 HB2 ARG 54 HB2 ARG 54 9.520 11.166 0.899 422 HB3 ARG 54 HB3 ARG 54 8.781 9.564 1.110 423 HG2 ARG 54 HG2 ARG 54 10.991 8.514 1.172 424 HG3 ARG 54 HG3 ARG 54 11.776 10.075 0.836 425 HD2 ARG 54 HD2 ARG 54 10.942 10.987 2.954 426 HD3 ARG 54 HD3 ARG 54 10.043 9.491 3.270 427 HE ARG 54 HE ARG 54 12.735 8.766 2.865 428 HH11 ARG 54 HH11 ARG 54 10.695 10.515 5.181 429 HH12 ARG 54 HH12 ARG 54 11.713 10.130 6.548 430 HH21 ARG 54 HH21 ARG 54 14.062 8.249 4.693 431 HH22 ARG 54 HH22 ARG 54 13.616 8.857 6.271 432 H THR 55 H THR 55 11.867 8.668 -1.028 433 HA THR 55 HA THR 55 11.158 6.363 -2.501 434 HB THR 55 HB THR 55 13.378 6.756 -0.432 435 HG1 THR 55 HG1 THR 55 14.525 7.390 -2.362 436 HG21 THR 55 HG21 THR 55 13.353 4.465 -1.055 437 HG22 THR 55 HG22 THR 55 12.937 4.850 -2.752 438 HG23 THR 55 HG23 THR 55 14.559 5.204 -2.119 439 H LEU 56 H LEU 56 9.745 4.812 -1.914 440 HA LEU 56 HA LEU 56 8.723 4.635 0.716 441 HB2 LEU 56 HB2 LEU 56 7.498 2.684 -0.133 442 HB3 LEU 56 HB3 LEU 56 7.474 4.024 -1.293 443 HG LEU 56 HG LEU 56 9.643 2.752 -2.242 444 HD11 LEU 56 HD11 LEU 56 7.908 0.543 -1.048 445 HD12 LEU 56 HD12 LEU 56 9.300 0.309 -2.128 446 HD13 LEU 56 HD13 LEU 56 9.544 0.962 -0.494 447 HD21 LEU 56 HD21 LEU 56 6.737 1.969 -2.716 448 HD22 LEU 56 HD22 LEU 56 7.619 3.295 -3.510 449 HD23 LEU 56 HD23 LEU 56 8.083 1.609 -3.821 450 H SER 57 H SER 57 11.410 2.901 -0.875 451 HA SER 57 HA SER 57 11.501 0.805 1.091 452 HB2 SER 57 HB2 SER 57 13.673 0.285 0.060 453 HB3 SER 57 HB3 SER 57 12.444 0.597 -1.188 454 HG SER 57 HG SER 57 14.449 1.696 -1.554 455 H ASP 58 H ASP 58 12.652 4.106 0.978 456 HA ASP 58 HA ASP 58 14.530 3.675 3.207 457 HB2 ASP 58 HB2 ASP 58 15.111 5.168 1.312 458 HB3 ASP 58 HB3 ASP 58 13.702 6.180 1.689 459 H TYR 59 H TYR 59 11.208 4.386 2.664 460 HA TYR 59 HA TYR 59 10.876 6.104 4.967 461 HB2 TYR 59 HB2 TYR 59 9.517 5.778 2.682 462 HB3 TYR 59 HB3 TYR 59 8.562 4.697 3.701 463 HD1 TYR 59 HD1 TYR 59 8.396 7.753 2.357 464 HD2 TYR 59 HD2 TYR 59 8.471 6.017 6.288 465 HE1 TYR 59 HE1 TYR 59 7.179 9.725 3.243 466 HE2 TYR 59 HE2 TYR 59 7.252 7.981 7.186 467 HH TYR 59 HH TYR 59 6.271 9.998 6.702 468 H ASN 60 H ASN 60 9.255 2.945 4.245 469 HA ASN 60 HA ASN 60 9.877 2.024 6.981 470 HB2 ASN 60 HB2 ASN 60 7.139 2.816 5.979 471 HB3 ASN 60 HB3 ASN 60 7.317 1.503 7.158 472 HD21 ASN 60 HD21 ASN 60 7.209 5.222 8.534 473 HD22 ASN 60 HD22 ASN 60 6.578 4.674 6.997 474 H ILE 61 H ILE 61 8.764 1.484 3.676 475 HA ILE 61 HA ILE 61 7.831 -1.164 3.907 476 HB ILE 61 HB ILE 61 9.077 0.463 1.682 477 HG12 ILE 61 HG12 ILE 61 6.789 -0.089 0.697 478 HG13 ILE 61 HG13 ILE 61 6.360 -0.809 2.263 479 HG21 ILE 61 HG21 ILE 61 8.594 -1.456 0.161 480 HG22 ILE 61 HG22 ILE 61 9.890 -1.824 1.319 481 HG23 ILE 61 HG23 ILE 61 8.252 -2.469 1.583 482 HD11 ILE 61 HD11 ILE 61 5.655 1.625 1.914 483 HD12 ILE 61 HD12 ILE 61 6.614 1.318 3.383 484 HD13 ILE 61 HD13 ILE 61 7.379 2.045 1.951 485 H GLN 62 H GLN 62 8.771 -3.137 3.995 486 HA GLN 62 HA GLN 62 11.737 -3.292 3.927 487 HB2 GLN 62 HB2 GLN 62 9.825 -4.221 6.084 488 HB3 GLN 62 HB3 GLN 62 11.421 -4.974 5.863 489 HG2 GLN 62 HG2 GLN 62 12.528 -2.819 6.167 490 HG3 GLN 62 HG3 GLN 62 10.958 -1.997 6.286 491 HE21 GLN 62 HE21 GLN 62 12.240 -2.555 9.756 492 HE22 GLN 62 HE22 GLN 62 12.782 -1.689 8.337 493 H LYS 63 H LYS 63 12.394 -5.695 3.870 494 HA LYS 63 HA LYS 63 11.200 -6.860 1.570 495 HB2 LYS 63 HB2 LYS 63 12.741 -8.750 2.050 496 HB3 LYS 63 HB3 LYS 63 13.545 -7.168 2.113 497 HG2 LYS 63 HG2 LYS 63 13.267 -7.188 4.616 498 HG3 LYS 63 HG3 LYS 63 12.640 -8.848 4.487 499 HD2 LYS 63 HD2 LYS 63 14.747 -9.560 3.401 500 HD3 LYS 63 HD3 LYS 63 15.371 -7.898 3.525 501 HE2 LYS 63 HE2 LYS 63 15.133 -8.009 5.995 502 HE3 LYS 63 HE3 LYS 63 14.557 -9.682 5.858 503 HZ1 LYS 63 HZ1 LYS 63 16.899 -9.536 6.369 504 HZ2 LYS 63 HZ2 LYS 63 16.655 -10.279 4.915 505 HZ3 LYS 63 HZ3 LYS 63 17.188 -8.720 4.969 506 H GLU 64 H GLU 64 9.414 -8.018 1.356 507 HA GLU 64 HA GLU 64 7.481 -9.091 1.934 508 HB2 GLU 64 HB2 GLU 64 9.606 -10.812 3.278 509 HB3 GLU 64 HB3 GLU 64 7.925 -11.304 3.001 510 HG2 GLU 64 HG2 GLU 64 9.050 -12.178 1.142 511 HG3 GLU 64 HG3 GLU 64 8.337 -10.682 0.514 512 H SER 65 H SER 65 7.780 -6.864 3.614 513 HA SER 65 HA SER 65 6.963 -7.933 6.270 514 HB2 SER 65 HB2 SER 65 7.844 -5.169 5.354 515 HB3 SER 65 HB3 SER 65 7.226 -5.535 6.983 516 HG SER 65 HG SER 65 9.498 -5.664 6.899 517 H THR 66 H THR 66 5.157 -6.565 7.312 518 HA THR 66 HA THR 66 2.958 -6.539 5.335 519 HB THR 66 HB THR 66 2.887 -6.696 8.370 520 HG1 THR 66 HG1 THR 66 2.315 -8.824 6.650 521 HG21 THR 66 HG21 THR 66 0.572 -7.529 7.959 522 HG22 THR 66 HG22 THR 66 0.791 -5.858 7.394 523 HG23 THR 66 HG23 THR 66 0.778 -7.199 6.224 524 H LEU 67 H LEU 67 1.715 -4.809 4.937 525 HA LEU 67 HA LEU 67 2.166 -2.336 6.544 526 HB2 LEU 67 HB2 LEU 67 1.794 -2.823 3.594 527 HB3 LEU 67 HB3 LEU 67 1.094 -1.359 4.311 528 HG LEU 67 HG LEU 67 3.352 -0.867 5.344 529 HD11 LEU 67 HD11 LEU 67 5.313 -1.927 4.228 530 HD12 LEU 67 HD12 LEU 67 4.367 -3.108 5.158 531 HD13 LEU 67 HD13 LEU 67 4.217 -3.044 3.386 532 HD21 LEU 67 HD21 LEU 67 3.184 -1.038 2.306 533 HD22 LEU 67 HD22 LEU 67 2.498 0.260 3.313 534 HD23 LEU 67 HD23 LEU 67 4.260 0.034 3.233 535 H HIS 68 H HIS 68 0.068 -0.869 6.260 536 HA HIS 68 HA HIS 68 -2.295 -2.651 6.607 537 HB2 HIS 68 HB2 HIS 68 -1.254 -1.806 8.749 538 HB3 HIS 68 HB3 HIS 68 -1.642 -0.163 8.220 539 HD1 HIS 68 HD1 HIS 68 -2.990 -2.524 10.488 540 HD2 HIS 68 HD2 HIS 68 -4.562 -0.218 7.342 541 HE1 HIS 68 HE1 HIS 68 -5.508 -2.345 10.901 542 H LEU 69 H LEU 69 -4.043 -2.075 5.422 543 HA LEU 69 HA LEU 69 -3.895 0.542 4.001 544 HB2 LEU 69 HB2 LEU 69 -3.599 -1.565 2.641 545 HB3 LEU 69 HB3 LEU 69 -5.226 -2.054 3.149 546 HG LEU 69 HG LEU 69 -6.011 0.223 2.186 547 HD11 LEU 69 HD11 LEU 69 -4.569 1.162 0.434 548 HD12 LEU 69 HD12 LEU 69 -3.699 1.171 1.984 549 HD13 LEU 69 HD13 LEU 69 -3.328 -0.068 0.766 550 HD21 LEU 69 HD21 LEU 69 -6.146 -0.729 -0.083 551 HD22 LEU 69 HD22 LEU 69 -4.881 -1.912 0.331 552 HD23 LEU 69 HD23 LEU 69 -6.461 -1.972 1.146 553 H ALA 70 H ALA 70 -5.827 1.729 3.734 554 HA ALA 70 HA ALA 70 -8.172 0.767 5.298 555 HB1 ALA 70 HB1 ALA 70 -8.560 3.095 5.991 556 HB2 ALA 70 HB2 ALA 70 -6.954 2.553 6.530 557 HB3 ALA 70 HB3 ALA 70 -7.103 3.613 5.112 558 H LEU 71 H LEU 71 -10.182 1.112 4.312 559 HA LEU 71 HA LEU 71 -10.045 2.280 1.568 560 HB2 LEU 71 HB2 LEU 71 -11.642 -0.078 2.650 561 HB3 LEU 71 HB3 LEU 71 -11.964 0.696 1.093 562 HG LEU 71 HG LEU 71 -10.647 -1.191 0.606 563 HD11 LEU 71 HD11 LEU 71 -8.931 -0.242 -0.629 564 HD12 LEU 71 HD12 LEU 71 -9.947 1.169 -0.305 565 HD13 LEU 71 HD13 LEU 71 -8.479 0.903 0.666 566 HD21 LEU 71 HD21 LEU 71 -9.805 -1.567 2.933 567 HD22 LEU 71 HD22 LEU 71 -8.570 -1.789 1.673 568 HD23 LEU 71 HD23 LEU 71 -8.579 -0.308 2.650 569 H ARG 72 H ARG 72 -12.400 2.805 0.812 570 HA ARG 72 HA ARG 72 -13.429 4.826 2.599 571 HB2 ARG 72 HB2 ARG 72 -15.091 5.143 0.774 572 HB3 ARG 72 HB3 ARG 72 -13.421 5.130 0.163 573 HG2 ARG 72 HG2 ARG 72 -13.638 2.827 -0.569 574 HG3 ARG 72 HG3 ARG 72 -15.234 2.677 0.202 575 HD2 ARG 72 HD2 ARG 72 -14.590 4.664 -2.009 576 HD3 ARG 72 HD3 ARG 72 -15.313 3.066 -2.289 577 HE ARG 72 HE ARG 72 -16.929 4.255 -0.368 578 HH11 ARG 72 HH11 ARG 72 -15.871 4.976 -3.664 579 HH12 ARG 72 HH12 ARG 72 -17.349 5.806 -4.100 580 HH21 ARG 72 HH21 ARG 72 -18.861 5.376 -0.931 581 HH22 ARG 72 HH22 ARG 72 -19.047 6.047 -2.536 582 H LEU 73 H LEU 73 -15.872 4.951 2.973 583 HA LEU 73 HA LEU 73 -16.752 2.584 4.399 584 HB2 LEU 73 HB2 LEU 73 -18.176 5.172 3.647 585 HB3 LEU 73 HB3 LEU 73 -18.792 3.959 4.788 586 HG LEU 73 HG LEU 73 -16.160 5.467 5.106 587 HD11 LEU 73 HD11 LEU 73 -17.358 6.694 6.888 588 HD12 LEU 73 HD12 LEU 73 -18.134 6.942 5.308 589 HD13 LEU 73 HD13 LEU 73 -18.855 5.821 6.486 590 HD21 LEU 73 HD21 LEU 73 -17.725 3.644 6.989 591 HD22 LEU 73 HD22 LEU 73 -16.182 3.245 6.195 592 HD23 LEU 73 HD23 LEU 73 -16.247 4.540 7.408 593 H ARG 74 H ARG 74 -19.041 1.710 3.953 594 HA ARG 74 HA ARG 74 -19.160 0.854 1.184 595 HB2 ARG 74 HB2 ARG 74 -19.782 -0.580 3.154 596 HB3 ARG 74 HB3 ARG 74 -21.202 0.463 3.410 597 HG2 ARG 74 HG2 ARG 74 -22.045 -0.081 1.173 598 HG3 ARG 74 HG3 ARG 74 -20.564 -0.991 0.807 599 HD2 ARG 74 HD2 ARG 74 -22.283 -2.576 1.383 600 HD3 ARG 74 HD3 ARG 74 -21.108 -2.538 2.711 601 HE ARG 74 HE ARG 74 -22.952 -0.723 3.549 602 HH11 ARG 74 HH11 ARG 74 -23.260 -3.998 2.236 603 HH12 ARG 74 HH12 ARG 74 -24.716 -4.359 3.134 604 HH21 ARG 74 HH21 ARG 74 -24.901 -1.187 4.678 605 HH22 ARG 74 HH22 ARG 74 -25.649 -2.760 4.527 606 H GLY 75 H GLY 75 -20.797 3.229 3.260 607 HA2 GLY 75 HA2 GLY 75 -21.720 5.224 2.349 608 HA3 GLY 75 HA3 GLY 75 -22.050 4.370 0.829 609 H GLY 76 H GLY 76 -22.905 2.166 3.121 610 HA2 GLY 76 HA2 GLY 76 -25.326 3.151 4.225 611 HA3 GLY 76 HA3 GLY 76 -25.676 2.355 2.674 Start of MODEL 2 1 H1 MET 1 H MET 1 11.469 -9.287 -0.193 2 HA MET 1 HA MET 1 12.190 -7.085 -0.933 3 HB2 MET 1 HB2 MET 1 13.377 -7.881 -2.943 4 HB3 MET 1 HB3 MET 1 11.802 -8.188 -3.730 5 HG2 MET 1 HG2 MET 1 11.169 -5.855 -3.458 6 HG3 MET 1 HG3 MET 1 12.628 -5.526 -2.518 7 HE1 MET 1 HE1 MET 1 13.062 -3.403 -3.977 8 HE2 MET 1 HE2 MET 1 13.017 -3.427 -5.757 9 HE3 MET 1 HE3 MET 1 11.548 -3.796 -4.825 10 H GLN 2 H GLN 2 9.579 -9.298 -1.882 11 HA GLN 2 HA GLN 2 7.843 -7.024 -2.587 12 HB2 GLN 2 HB2 GLN 2 7.579 -10.059 -2.662 13 HB3 GLN 2 HB3 GLN 2 6.224 -8.965 -3.011 14 HG2 GLN 2 HG2 GLN 2 7.552 -7.889 -4.805 15 HG3 GLN 2 HG3 GLN 2 8.892 -9.004 -4.477 16 HE21 GLN 2 HE21 GLN 2 7.538 -10.974 -7.094 17 HE22 GLN 2 HE22 GLN 2 8.824 -9.901 -6.592 18 H ILE 3 H ILE 3 5.546 -7.159 -1.606 19 HA ILE 3 HA ILE 3 5.924 -7.684 1.291 20 HB ILE 3 HB ILE 3 4.949 -5.448 1.728 21 HG12 ILE 3 HG12 ILE 3 5.128 -5.118 -1.303 22 HG13 ILE 3 HG13 ILE 3 3.621 -5.314 -0.383 23 HG21 ILE 3 HG21 ILE 3 6.914 -4.153 1.058 24 HG22 ILE 3 HG22 ILE 3 7.423 -5.795 1.510 25 HG23 ILE 3 HG23 ILE 3 7.307 -5.341 -0.205 26 HD11 ILE 3 HD11 ILE 3 5.620 -3.033 -0.085 27 HD12 ILE 3 HD12 ILE 3 4.018 -2.940 -0.847 28 HD13 ILE 3 HD13 ILE 3 4.153 -3.248 0.899 29 H PHE 4 H PHE 4 3.723 -7.094 2.468 30 HA PHE 4 HA PHE 4 1.498 -8.285 0.892 31 HB2 PHE 4 HB2 PHE 4 2.369 -8.866 3.743 32 HB3 PHE 4 HB3 PHE 4 0.853 -9.423 3.027 33 HD1 PHE 4 HD1 PHE 4 0.845 -11.128 1.241 34 HD2 PHE 4 HD2 PHE 4 4.490 -9.881 3.147 35 HE1 PHE 4 HE1 PHE 4 2.007 -13.115 0.321 36 HE2 PHE 4 HE2 PHE 4 5.650 -11.871 2.227 37 HZ PHE 4 HZ PHE 4 4.408 -13.490 0.816 38 H VAL 5 H VAL 5 0.169 -6.593 0.560 39 HA VAL 5 HA VAL 5 -0.240 -4.621 2.725 40 HB VAL 5 HB VAL 5 -1.261 -4.729 -0.149 41 HG11 VAL 5 HG11 VAL 5 -1.760 -2.332 0.235 42 HG12 VAL 5 HG12 VAL 5 -2.668 -3.370 1.359 43 HG13 VAL 5 HG13 VAL 5 -1.225 -2.494 1.925 44 HG21 VAL 5 HG21 VAL 5 0.472 -2.994 -0.556 45 HG22 VAL 5 HG22 VAL 5 1.051 -3.193 1.114 46 HG23 VAL 5 HG23 VAL 5 1.196 -4.535 -0.045 47 H LYS 6 H LYS 6 -1.863 -4.965 4.149 48 HA LYS 6 HA LYS 6 -3.935 -6.932 3.372 49 HB2 LYS 6 HB2 LYS 6 -2.407 -7.284 5.358 50 HB3 LYS 6 HB3 LYS 6 -3.208 -5.904 6.139 51 HG2 LYS 6 HG2 LYS 6 -5.360 -7.053 6.056 52 HG3 LYS 6 HG3 LYS 6 -4.658 -8.369 5.081 53 HD2 LYS 6 HD2 LYS 6 -3.103 -8.905 6.942 54 HD3 LYS 6 HD3 LYS 6 -3.856 -7.630 7.929 55 HE2 LYS 6 HE2 LYS 6 -6.024 -8.797 7.810 56 HE3 LYS 6 HE3 LYS 6 -5.309 -10.025 6.744 57 HZ1 LYS 6 HZ1 LYS 6 -4.979 -11.080 8.632 58 HZ2 LYS 6 HZ2 LYS 6 -3.671 -10.105 8.800 59 HZ3 LYS 6 HZ3 LYS 6 -5.074 -9.725 9.581 60 H THR 7 H THR 7 -5.863 -6.181 2.775 61 HA THR 7 HA THR 7 -6.620 -3.441 2.991 62 HB THR 7 HB THR 7 -8.804 -4.272 2.165 63 HG1 THR 7 HG1 THR 7 -9.048 -6.513 1.924 64 HG21 THR 7 HG21 THR 7 -7.980 -5.360 0.096 65 HG22 THR 7 HG22 THR 7 -6.958 -3.979 0.552 66 HG23 THR 7 HG23 THR 7 -6.404 -5.640 0.871 67 H ALA 8 H ALA 8 -8.931 -2.938 3.955 68 HA ALA 8 HA ALA 8 -8.745 -3.342 6.810 69 HB1 ALA 8 HB1 ALA 8 -10.819 -2.000 6.842 70 HB2 ALA 8 HB2 ALA 8 -9.586 -1.251 5.800 71 HB3 ALA 8 HB3 ALA 8 -10.943 -2.145 5.072 72 H THR 9 H THR 9 -9.939 -5.262 4.255 73 HA THR 9 HA THR 9 -12.035 -6.505 5.935 74 HB THR 9 HB THR 9 -12.545 -7.770 3.860 75 HG1 THR 9 HG1 THR 9 -11.476 -7.100 1.957 76 HG21 THR 9 HG21 THR 9 -13.141 -5.161 4.474 77 HG22 THR 9 HG22 THR 9 -12.435 -4.978 2.861 78 HG23 THR 9 HG23 THR 9 -13.836 -6.052 3.090 79 H GLY 10 H GLY 10 -8.729 -6.700 5.523 80 HA2 GLY 10 HA2 GLY 10 -7.359 -8.225 6.622 81 HA3 GLY 10 HA3 GLY 10 -8.702 -9.379 6.716 82 H LYS 11 H LYS 11 -8.796 -8.357 3.565 83 HA LYS 11 HA LYS 11 -7.535 -10.798 2.627 84 HB2 LYS 11 HB2 LYS 11 -8.782 -8.424 1.188 85 HB3 LYS 11 HB3 LYS 11 -8.128 -9.864 0.373 86 HG2 LYS 11 HG2 LYS 11 -9.639 -11.267 1.864 87 HG3 LYS 11 HG3 LYS 11 -10.432 -9.754 2.357 88 HD2 LYS 11 HD2 LYS 11 -11.017 -9.279 0.012 89 HD3 LYS 11 HD3 LYS 11 -10.137 -10.733 -0.518 90 HE2 LYS 11 HE2 LYS 11 -11.658 -12.126 0.889 91 HE3 LYS 11 HE3 LYS 11 -12.576 -10.665 1.305 92 HZ1 LYS 11 HZ1 LYS 11 -12.202 -11.750 -1.401 93 HZ2 LYS 11 HZ2 LYS 11 -13.576 -11.855 -0.497 94 HZ3 LYS 11 HZ3 LYS 11 -13.046 -10.385 -1.026 95 H THR 12 H THR 12 -5.397 -11.005 2.538 96 HA THR 12 HA THR 12 -3.633 -8.716 2.426 97 HB THR 12 HB THR 12 -2.976 -11.664 2.079 98 HG1 THR 12 HG1 THR 12 -2.728 -11.582 4.368 99 HG21 THR 12 HG21 THR 12 -1.416 -9.283 3.174 100 HG22 THR 12 HG22 THR 12 -0.830 -10.963 3.103 101 HG23 THR 12 HG23 THR 12 -1.148 -10.067 1.599 102 H ILE 13 H ILE 13 -2.394 -7.991 0.713 103 HA ILE 13 HA ILE 13 -2.834 -9.308 -1.917 104 HB ILE 13 HB ILE 13 -2.686 -6.316 -1.399 105 HG12 ILE 13 HG12 ILE 13 -5.096 -8.068 -2.046 106 HG13 ILE 13 HG13 ILE 13 -4.764 -7.317 -0.470 107 HG21 ILE 13 HG21 ILE 13 -1.865 -7.115 -3.613 108 HG22 ILE 13 HG22 ILE 13 -3.420 -7.939 -3.875 109 HG23 ILE 13 HG23 ILE 13 -3.357 -6.164 -3.763 110 HD11 ILE 13 HD11 ILE 13 -5.244 -5.846 -3.095 111 HD12 ILE 13 HD12 ILE 13 -6.359 -5.945 -1.717 112 HD13 ILE 13 HD13 ILE 13 -4.819 -5.071 -1.549 113 H THR 14 H THR 14 -0.920 -10.196 -2.430 114 HA THR 14 HA THR 14 1.609 -9.199 -1.480 115 HB THR 14 HB THR 14 1.026 -11.093 -3.790 116 HG1 THR 14 HG1 THR 14 1.219 -12.685 -2.126 117 HG21 THR 14 HG21 THR 14 3.397 -10.798 -1.892 118 HG22 THR 14 HG22 THR 14 3.240 -12.017 -3.179 119 HG23 THR 14 HG23 THR 14 3.367 -10.292 -3.598 120 H LEU 15 H LEU 15 2.806 -7.538 -2.329 121 HA LEU 15 HA LEU 15 2.025 -6.616 -5.055 122 HB2 LEU 15 HB2 LEU 15 1.413 -5.226 -2.917 123 HB3 LEU 15 HB3 LEU 15 3.136 -4.792 -2.923 124 HG LEU 15 HG LEU 15 2.859 -4.058 -5.330 125 HD11 LEU 15 HD11 LEU 15 0.987 -4.742 -6.404 126 HD12 LEU 15 HD12 LEU 15 0.251 -5.300 -4.879 127 HD13 LEU 15 HD13 LEU 15 0.070 -3.609 -5.395 128 HD21 LEU 15 HD21 LEU 15 1.014 -2.749 -3.287 129 HD22 LEU 15 HD22 LEU 15 2.765 -2.468 -3.438 130 HD23 LEU 15 HD23 LEU 15 1.671 -1.973 -4.748 131 H GLU 16 H GLU 16 3.706 -5.586 -6.322 132 HA GLU 16 HA GLU 16 6.484 -6.214 -5.473 133 HB2 GLU 16 HB2 GLU 16 5.665 -8.040 -6.906 134 HB3 GLU 16 HB3 GLU 16 5.173 -6.862 -8.143 135 HG2 GLU 16 HG2 GLU 16 7.530 -6.127 -8.373 136 HG3 GLU 16 HG3 GLU 16 8.017 -7.310 -7.142 137 H VAL 17 H VAL 17 7.345 -4.173 -5.278 138 HA VAL 17 HA VAL 17 7.122 -2.452 -7.693 139 HB VAL 17 HB VAL 17 7.031 -0.463 -6.216 140 HG11 VAL 17 HG11 VAL 17 4.668 -0.713 -5.567 141 HG12 VAL 17 HG12 VAL 17 4.967 -1.433 -7.167 142 HG13 VAL 17 HG13 VAL 17 4.797 -2.480 -5.737 143 HG21 VAL 17 HG21 VAL 17 6.464 -0.750 -3.833 144 HG22 VAL 17 HG22 VAL 17 6.593 -2.515 -4.003 145 HG23 VAL 17 HG23 VAL 17 8.038 -1.493 -4.197 146 H GLU 18 H GLU 18 8.892 -0.812 -7.806 147 HA GLU 18 HA GLU 18 11.444 -1.985 -6.983 148 HB2 GLU 18 HB2 GLU 18 10.717 0.522 -8.561 149 HB3 GLU 18 HB3 GLU 18 12.369 -0.036 -8.250 150 HG2 GLU 18 HG2 GLU 18 10.230 -1.334 -9.936 151 HG3 GLU 18 HG3 GLU 18 11.897 -0.920 -10.380 152 HA PRO 19 HA PRO 19 12.096 0.125 -3.316 153 HB2 PRO 19 HB2 PRO 19 14.735 1.182 -4.170 154 HB3 PRO 19 HB3 PRO 19 14.357 0.010 -2.870 155 HG2 PRO 19 HG2 PRO 19 15.541 -0.719 -5.256 156 HG3 PRO 19 HG3 PRO 19 14.454 -1.805 -4.331 157 HD2 PRO 19 HD2 PRO 19 13.861 -0.162 -6.776 158 HD3 PRO 19 HD3 PRO 19 13.247 -1.775 -6.325 159 H SER 20 H SER 20 12.536 1.991 -6.270 160 HA SER 20 HA SER 20 12.185 4.499 -4.701 161 HB2 SER 20 HB2 SER 20 13.659 4.058 -7.324 162 HB3 SER 20 HB3 SER 20 13.513 5.596 -6.441 163 HG SER 20 HG SER 20 14.769 3.206 -5.563 164 H ASP 21 H ASP 21 10.119 2.631 -5.975 165 HA ASP 21 HA ASP 21 9.110 4.181 -8.249 166 HB2 ASP 21 HB2 ASP 21 8.243 1.742 -6.693 167 HB3 ASP 21 HB3 ASP 21 7.064 2.601 -7.699 168 H THR 22 H THR 22 9.174 4.583 -4.919 169 HA THR 22 HA THR 22 8.257 6.199 -3.608 170 HB THR 22 HB THR 22 6.492 6.976 -5.952 171 HG1 THR 22 HG1 THR 22 8.669 6.941 -6.587 172 HG21 THR 22 HG21 THR 22 7.703 8.840 -3.920 173 HG22 THR 22 HG22 THR 22 6.234 9.028 -4.888 174 HG23 THR 22 HG23 THR 22 6.232 7.916 -3.503 175 H ILE 23 H ILE 23 6.385 6.473 -2.252 176 HA ILE 23 HA ILE 23 4.792 4.175 -1.892 177 HB ILE 23 HB ILE 23 4.430 7.072 -1.036 178 HG12 ILE 23 HG12 ILE 23 6.451 5.863 -0.193 179 HG13 ILE 23 HG13 ILE 23 5.317 6.309 1.095 180 HG21 ILE 23 HG21 ILE 23 2.899 6.065 0.719 181 HG22 ILE 23 HG22 ILE 23 2.246 6.059 -0.936 182 HG23 ILE 23 HG23 ILE 23 2.906 4.565 -0.235 183 HD11 ILE 23 HD11 ILE 23 6.162 4.002 1.388 184 HD12 ILE 23 HD12 ILE 23 4.406 4.018 1.118 185 HD13 ILE 23 HD13 ILE 23 5.507 3.556 -0.202 186 H GLU 24 H GLU 24 4.409 6.981 -3.995 187 HA GLU 24 HA GLU 24 1.642 6.931 -4.431 188 HB2 GLU 24 HB2 GLU 24 3.180 8.683 -5.258 189 HB3 GLU 24 HB3 GLU 24 3.897 7.515 -6.391 190 HG2 GLU 24 HG2 GLU 24 1.609 7.182 -7.392 191 HG3 GLU 24 HG3 GLU 24 1.012 8.491 -6.352 192 H ASN 25 H ASN 25 4.263 5.079 -6.078 193 HA ASN 25 HA ASN 25 2.531 3.873 -7.984 194 HB2 ASN 25 HB2 ASN 25 4.998 4.100 -8.183 195 HB3 ASN 25 HB3 ASN 25 5.191 2.895 -6.897 196 HD21 ASN 25 HD21 ASN 25 4.318 1.786 -10.752 197 HD22 ASN 25 HD22 ASN 25 4.354 3.466 -10.268 198 H VAL 26 H VAL 26 3.332 3.057 -4.622 199 HA VAL 26 HA VAL 26 2.558 0.335 -4.687 200 HB VAL 26 HB VAL 26 2.264 2.365 -2.433 201 HG11 VAL 26 HG11 VAL 26 1.018 0.255 -2.057 202 HG12 VAL 26 HG12 VAL 26 2.499 -0.671 -2.396 203 HG13 VAL 26 HG13 VAL 26 2.419 0.387 -0.969 204 HG21 VAL 26 HG21 VAL 26 4.565 2.292 -3.298 205 HG22 VAL 26 HG22 VAL 26 4.478 1.501 -1.709 206 HG23 VAL 26 HG23 VAL 26 4.564 0.515 -3.188 207 H LYS 27 H LYS 27 0.703 3.346 -4.654 208 HA LYS 27 HA LYS 27 -1.817 2.012 -4.038 209 HB2 LYS 27 HB2 LYS 27 -1.163 4.814 -5.039 210 HB3 LYS 27 HB3 LYS 27 -2.763 4.262 -4.497 211 HG2 LYS 27 HG2 LYS 27 -1.768 3.683 -2.273 212 HG3 LYS 27 HG3 LYS 27 -0.219 4.365 -2.816 213 HD2 LYS 27 HD2 LYS 27 -2.859 5.886 -2.668 214 HD3 LYS 27 HD3 LYS 27 -1.549 5.985 -1.470 215 HE2 LYS 27 HE2 LYS 27 -0.003 6.771 -3.252 216 HE3 LYS 27 HE3 LYS 27 -1.342 6.726 -4.418 217 HZ1 LYS 27 HZ1 LYS 27 -1.238 8.378 -1.989 218 HZ2 LYS 27 HZ2 LYS 27 -1.013 8.914 -3.533 219 HZ3 LYS 27 HZ3 LYS 27 -2.483 8.335 -3.068 220 H ALA 28 H ALA 28 0.051 2.941 -6.900 221 HA ALA 28 HA ALA 28 -2.201 2.755 -8.697 222 HB1 ALA 28 HB1 ALA 28 -0.576 3.146 -10.418 223 HB2 ALA 28 HB2 ALA 28 -0.119 4.150 -9.027 224 HB3 ALA 28 HB3 ALA 28 0.764 2.639 -9.354 225 H LYS 29 H LYS 29 0.106 0.448 -7.344 226 HA LYS 29 HA LYS 29 -0.251 -1.517 -9.447 227 HB2 LYS 29 HB2 LYS 29 0.767 -1.678 -6.586 228 HB3 LYS 29 HB3 LYS 29 0.800 -3.038 -7.727 229 HG2 LYS 29 HG2 LYS 29 2.107 -0.354 -8.313 230 HG3 LYS 29 HG3 LYS 29 2.955 -1.710 -7.541 231 HD2 LYS 29 HD2 LYS 29 2.388 -3.153 -9.502 232 HD3 LYS 29 HD3 LYS 29 1.640 -1.740 -10.284 233 HE2 LYS 29 HE2 LYS 29 3.685 -1.281 -11.121 234 HE3 LYS 29 HE3 LYS 29 4.126 -0.779 -9.478 235 HZ1 LYS 29 HZ1 LYS 29 5.663 -2.366 -10.322 236 HZ2 LYS 29 HZ2 LYS 29 4.829 -3.050 -9.077 237 HZ3 LYS 29 HZ3 LYS 29 4.469 -3.459 -10.633 238 H ILE 30 H ILE 30 -1.812 -0.752 -6.328 239 HA ILE 30 HA ILE 30 -3.417 -3.195 -6.449 240 HB ILE 30 HB ILE 30 -3.443 -0.812 -4.544 241 HG12 ILE 30 HG12 ILE 30 -2.366 -3.648 -4.200 242 HG13 ILE 30 HG13 ILE 30 -1.358 -2.252 -4.638 243 HG21 ILE 30 HG21 ILE 30 -4.500 -3.095 -3.288 244 HG22 ILE 30 HG22 ILE 30 -5.437 -1.697 -3.873 245 HG23 ILE 30 HG23 ILE 30 -5.223 -3.135 -4.899 246 HD11 ILE 30 HD11 ILE 30 -2.041 -1.095 -2.562 247 HD12 ILE 30 HD12 ILE 30 -3.020 -2.505 -2.097 248 HD13 ILE 30 HD13 ILE 30 -1.253 -2.650 -2.218 249 H GLN 31 H GLN 31 -3.578 0.052 -7.672 250 HA GLN 31 HA GLN 31 -6.388 0.445 -7.654 251 HB2 GLN 31 HB2 GLN 31 -4.766 2.212 -8.218 252 HB3 GLN 31 HB3 GLN 31 -4.287 1.320 -9.680 253 HG2 GLN 31 HG2 GLN 31 -6.620 1.475 -10.523 254 HG3 GLN 31 HG3 GLN 31 -7.073 2.397 -9.076 255 HE21 GLN 31 HE21 GLN 31 -5.797 4.396 -12.259 256 HE22 GLN 31 HE22 GLN 31 -6.496 2.790 -12.249 257 H ASP 32 H ASP 32 -4.204 -1.322 -9.877 258 HA ASP 32 HA ASP 32 -6.369 -2.018 -11.697 259 HB2 ASP 32 HB2 ASP 32 -4.039 -1.735 -12.461 260 HB3 ASP 32 HB3 ASP 32 -3.523 -3.058 -11.395 261 H LYS 33 H LYS 33 -4.848 -3.344 -8.809 262 HA LYS 33 HA LYS 33 -5.709 -6.055 -9.291 263 HB2 LYS 33 HB2 LYS 33 -3.700 -5.152 -7.905 264 HB3 LYS 33 HB3 LYS 33 -4.895 -4.880 -6.620 265 HG2 LYS 33 HG2 LYS 33 -3.943 -7.053 -6.246 266 HG3 LYS 33 HG3 LYS 33 -5.573 -7.333 -6.903 267 HD2 LYS 33 HD2 LYS 33 -4.646 -7.742 -9.129 268 HD3 LYS 33 HD3 LYS 33 -3.026 -7.258 -8.579 269 HE2 LYS 33 HE2 LYS 33 -3.069 -9.149 -6.937 270 HE3 LYS 33 HE3 LYS 33 -4.620 -9.670 -7.627 271 HZ1 LYS 33 HZ1 LYS 33 -2.794 -10.856 -8.583 272 HZ2 LYS 33 HZ2 LYS 33 -3.507 -9.919 -9.738 273 HZ3 LYS 33 HZ3 LYS 33 -2.070 -9.456 -9.074 274 H GLU 34 H GLU 34 -6.611 -3.637 -6.752 275 HA GLU 34 HA GLU 34 -8.987 -5.234 -6.125 276 HB2 GLU 34 HB2 GLU 34 -7.387 -4.144 -4.441 277 HB3 GLU 34 HB3 GLU 34 -8.115 -2.592 -4.903 278 HG2 GLU 34 HG2 GLU 34 -9.208 -3.538 -2.898 279 HG3 GLU 34 HG3 GLU 34 -10.345 -3.450 -4.256 280 H GLY 35 H GLY 35 -8.137 -2.585 -8.161 281 HA2 GLY 35 HA2 GLY 35 -9.502 -1.533 -9.707 282 HA3 GLY 35 HA3 GLY 35 -10.922 -2.269 -8.945 283 H ILE 36 H ILE 36 -9.282 -0.972 -6.385 284 HA ILE 36 HA ILE 36 -11.118 1.295 -6.287 285 HB ILE 36 HB ILE 36 -9.004 0.338 -4.318 286 HG12 ILE 36 HG12 ILE 36 -12.010 -0.179 -4.434 287 HG13 ILE 36 HG13 ILE 36 -10.753 -1.356 -4.870 288 HG21 ILE 36 HG21 ILE 36 -11.414 2.179 -3.980 289 HG22 ILE 36 HG22 ILE 36 -10.294 1.675 -2.692 290 HG23 ILE 36 HG23 ILE 36 -9.714 2.703 -4.017 291 HD11 ILE 36 HD11 ILE 36 -9.814 -1.152 -2.556 292 HD12 ILE 36 HD12 ILE 36 -11.186 -0.098 -2.134 293 HD13 ILE 36 HD13 ILE 36 -11.474 -1.791 -2.589 294 HA PRO 37 HA PRO 37 -8.002 4.035 -7.909 295 HB2 PRO 37 HB2 PRO 37 -9.491 6.338 -7.834 296 HB3 PRO 37 HB3 PRO 37 -9.765 5.042 -9.046 297 HG2 PRO 37 HG2 PRO 37 -11.272 5.585 -6.482 298 HG3 PRO 37 HG3 PRO 37 -11.924 5.144 -8.095 299 HD2 PRO 37 HD2 PRO 37 -11.551 3.329 -6.045 300 HD3 PRO 37 HD3 PRO 37 -11.447 2.884 -7.776 301 HA PRO 38 HA PRO 38 -6.083 6.136 -4.558 302 HB2 PRO 38 HB2 PRO 38 -6.320 8.750 -6.001 303 HB3 PRO 38 HB3 PRO 38 -4.857 7.949 -5.341 304 HG2 PRO 38 HG2 PRO 38 -5.398 7.962 -8.021 305 HG3 PRO 38 HG3 PRO 38 -4.663 6.537 -7.216 306 HD2 PRO 38 HD2 PRO 38 -7.514 6.958 -8.080 307 HD3 PRO 38 HD3 PRO 38 -6.528 5.463 -8.100 308 H ASP 39 H ASP 39 -6.327 7.958 -2.942 309 HA ASP 39 HA ASP 39 -7.511 9.250 -1.512 310 HB2 ASP 39 HB2 ASP 39 -8.310 10.414 -3.599 311 HB3 ASP 39 HB3 ASP 39 -9.742 9.364 -3.566 312 H GLN 40 H GLN 40 -9.588 6.862 -3.234 313 HA GLN 40 HA GLN 40 -11.192 6.294 -0.900 314 HB2 GLN 40 HB2 GLN 40 -10.702 4.835 -3.528 315 HB3 GLN 40 HB3 GLN 40 -11.847 4.275 -2.286 316 HG2 GLN 40 HG2 GLN 40 -13.079 6.394 -2.421 317 HG3 GLN 40 HG3 GLN 40 -11.918 7.014 -3.612 318 HE21 GLN 40 HE21 GLN 40 -14.053 5.917 -6.174 319 HE22 GLN 40 HE22 GLN 40 -13.193 7.236 -5.409 320 H GLN 41 H GLN 41 -8.005 5.502 -1.941 321 HA GLN 41 HA GLN 41 -7.854 3.338 0.100 322 HB2 GLN 41 HB2 GLN 41 -5.973 2.440 -1.192 323 HB3 GLN 41 HB3 GLN 41 -7.417 2.551 -2.222 324 HG2 GLN 41 HG2 GLN 41 -6.563 4.651 -3.182 325 HG3 GLN 41 HG3 GLN 41 -5.160 4.597 -2.094 326 HE21 GLN 41 HE21 GLN 41 -5.086 2.604 -5.615 327 HE22 GLN 41 HE22 GLN 41 -6.410 3.645 -5.140 328 H ARG 42 H ARG 42 -5.923 3.299 1.396 329 HA ARG 42 HA ARG 42 -4.069 5.565 1.276 330 HB2 ARG 42 HB2 ARG 42 -6.327 5.375 3.196 331 HB3 ARG 42 HB3 ARG 42 -4.739 5.675 3.937 332 HG2 ARG 42 HG2 ARG 42 -4.400 7.668 2.704 333 HG3 ARG 42 HG3 ARG 42 -5.680 7.277 1.537 334 HD2 ARG 42 HD2 ARG 42 -6.188 7.781 4.491 335 HD3 ARG 42 HD3 ARG 42 -6.327 9.029 3.230 336 HE ARG 42 HE ARG 42 -7.935 7.178 2.197 337 HH11 ARG 42 HH11 ARG 42 -7.706 8.455 5.499 338 HH12 ARG 42 HH12 ARG 42 -9.393 8.174 5.855 339 HH21 ARG 42 HH21 ARG 42 -10.172 6.870 2.672 340 HH22 ARG 42 HH22 ARG 42 -10.797 7.324 4.241 341 H LEU 43 H LEU 43 -2.114 5.023 2.181 342 HA LEU 43 HA LEU 43 -1.847 2.224 3.097 343 HB2 LEU 43 HB2 LEU 43 -0.045 4.319 1.851 344 HB3 LEU 43 HB3 LEU 43 0.652 2.923 2.696 345 HG LEU 43 HG LEU 43 -1.402 2.649 0.480 346 HD11 LEU 43 HD11 LEU 43 0.649 3.751 -0.381 347 HD12 LEU 43 HD12 LEU 43 1.638 2.446 0.318 348 HD13 LEU 43 HD13 LEU 43 0.491 2.092 -0.997 349 HD21 LEU 43 HD21 LEU 43 0.602 0.534 1.087 350 HD22 LEU 43 HD22 LEU 43 -0.615 0.821 2.363 351 HD23 LEU 43 HD23 LEU 43 -1.119 0.392 0.710 352 H ALA 44 H ALA 44 -0.493 1.724 4.919 353 HA ALA 44 HA ALA 44 0.615 3.858 6.540 354 HB1 ALA 44 HB1 ALA 44 -0.622 3.272 8.590 355 HB2 ALA 44 HB2 ALA 44 -1.725 3.890 7.341 356 HB3 ALA 44 HB3 ALA 44 -1.638 2.143 7.667 357 H PHE 45 H PHE 45 1.772 2.856 8.479 358 HA PHE 45 HA PHE 45 2.287 -0.034 8.172 359 HB2 PHE 45 HB2 PHE 45 3.913 1.316 6.755 360 HB3 PHE 45 HB3 PHE 45 4.545 1.989 8.263 361 HD1 PHE 45 HD1 PHE 45 5.227 0.153 10.090 362 HD2 PHE 45 HD2 PHE 45 4.876 -0.582 5.870 363 HE1 PHE 45 HE1 PHE 45 6.688 -1.838 10.313 364 HE2 PHE 45 HE2 PHE 45 6.335 -2.574 6.095 365 HZ PHE 45 HZ PHE 45 7.242 -3.201 8.317 366 H ALA 46 H ALA 46 1.848 -0.801 10.155 367 HA ALA 46 HA ALA 46 1.706 -0.974 12.413 368 HB1 ALA 46 HB1 ALA 46 4.148 -1.179 12.162 369 HB2 ALA 46 HB2 ALA 46 4.314 0.584 12.334 370 HB3 ALA 46 HB3 ALA 46 3.711 -0.390 13.695 371 H GLY 47 H GLY 47 0.670 1.549 10.975 372 HA2 GLY 47 HA2 GLY 47 -0.921 2.982 12.047 373 HA3 GLY 47 HA3 GLY 47 0.131 3.062 13.475 374 H LYS 48 H LYS 48 2.415 3.262 11.245 375 HA LYS 48 HA LYS 48 2.565 6.156 11.310 376 HB2 LYS 48 HB2 LYS 48 4.187 4.127 9.714 377 HB3 LYS 48 HB3 LYS 48 4.655 5.800 10.078 378 HG2 LYS 48 HG2 LYS 48 4.835 5.303 12.448 379 HG3 LYS 48 HG3 LYS 48 4.114 3.694 12.214 380 HD2 LYS 48 HD2 LYS 48 6.035 3.084 10.732 381 HD3 LYS 48 HD3 LYS 48 6.791 4.647 11.121 382 HE2 LYS 48 HE2 LYS 48 6.834 4.060 13.504 383 HE3 LYS 48 HE3 LYS 48 5.981 2.540 13.168 384 HZ1 LYS 48 HZ1 LYS 48 7.847 1.844 11.858 385 HZ2 LYS 48 HZ2 LYS 48 8.640 3.260 12.148 386 HZ3 LYS 48 HZ3 LYS 48 8.333 2.218 13.387 387 H GLN 49 H GLN 49 1.498 7.483 9.896 388 HA GLN 49 HA GLN 49 0.150 6.353 7.589 389 HB2 GLN 49 HB2 GLN 49 -0.985 8.165 8.563 390 HB3 GLN 49 HB3 GLN 49 0.504 9.114 8.773 391 HG2 GLN 49 HG2 GLN 49 0.678 9.535 6.404 392 HG3 GLN 49 HG3 GLN 49 -0.627 8.383 6.049 393 HE21 GLN 49 HE21 GLN 49 -2.655 11.287 5.808 394 HE22 GLN 49 HE22 GLN 49 -1.729 10.106 4.909 395 H LEU 50 H LEU 50 0.937 6.113 5.570 396 HA LEU 50 HA LEU 50 3.671 7.065 5.029 397 HB2 LEU 50 HB2 LEU 50 1.757 5.407 3.335 398 HB3 LEU 50 HB3 LEU 50 3.487 5.670 3.025 399 HG LEU 50 HG LEU 50 2.266 4.242 5.420 400 HD11 LEU 50 HD11 LEU 50 2.660 3.277 2.893 401 HD12 LEU 50 HD12 LEU 50 4.227 2.919 3.626 402 HD13 LEU 50 HD13 LEU 50 2.748 2.274 4.369 403 HD21 LEU 50 HD21 LEU 50 4.254 5.442 6.148 404 HD22 LEU 50 HD22 LEU 50 4.658 3.719 5.988 405 HD23 LEU 50 HD23 LEU 50 5.164 4.873 4.731 406 H GLU 51 H GLU 51 4.156 8.287 3.061 407 HA GLU 51 HA GLU 51 1.839 9.731 1.910 408 HB2 GLU 51 HB2 GLU 51 2.812 11.053 3.805 409 HB3 GLU 51 HB3 GLU 51 4.371 11.064 2.954 410 HG2 GLU 51 HG2 GLU 51 3.365 12.258 1.065 411 HG3 GLU 51 HG3 GLU 51 1.759 12.145 1.816 412 H ASP 52 H ASP 52 2.312 10.652 -0.197 413 HA ASP 52 HA ASP 52 4.219 8.985 -1.662 414 HB2 ASP 52 HB2 ASP 52 3.161 10.025 -3.632 415 HB3 ASP 52 HB3 ASP 52 1.954 9.337 -2.529 416 H GLY 53 H GLY 53 5.664 9.999 -3.309 417 HA2 GLY 53 HA2 GLY 53 6.932 11.829 -4.093 418 HA3 GLY 53 HA3 GLY 53 6.520 12.744 -2.631 419 H ARG 54 H ARG 54 7.332 9.584 -1.693 420 HA ARG 54 HA ARG 54 10.202 10.310 -1.411 421 HB2 ARG 54 HB2 ARG 54 8.988 11.016 0.618 422 HB3 ARG 54 HB3 ARG 54 8.338 9.374 0.809 423 HG2 ARG 54 HG2 ARG 54 10.604 8.478 1.098 424 HG3 ARG 54 HG3 ARG 54 11.301 10.089 0.805 425 HD2 ARG 54 HD2 ARG 54 10.163 10.967 2.794 426 HD3 ARG 54 HD3 ARG 54 9.389 9.392 3.069 427 HE ARG 54 HE ARG 54 12.053 8.764 3.019 428 HH11 ARG 54 HH11 ARG 54 10.173 11.206 4.762 429 HH12 ARG 54 HH12 ARG 54 11.224 11.207 6.158 430 HH21 ARG 54 HH21 ARG 54 13.436 8.770 4.858 431 HH22 ARG 54 HH22 ARG 54 13.085 9.822 6.213 432 H THR 55 H THR 55 11.618 8.544 -1.033 433 HA THR 55 HA THR 55 11.094 6.151 -2.432 434 HB THR 55 HB THR 55 13.121 6.711 -0.213 435 HG1 THR 55 HG1 THR 55 14.411 7.358 -1.968 436 HG21 THR 55 HG21 THR 55 13.206 4.386 -0.688 437 HG22 THR 55 HG22 THR 55 12.899 4.652 -2.430 438 HG23 THR 55 HG23 THR 55 14.466 5.090 -1.715 439 H LEU 56 H LEU 56 9.844 4.437 -1.876 440 HA LEU 56 HA LEU 56 8.541 4.388 0.664 441 HB2 LEU 56 HB2 LEU 56 7.503 2.329 -0.190 442 HB3 LEU 56 HB3 LEU 56 7.514 3.610 -1.416 443 HG LEU 56 HG LEU 56 9.842 2.425 -2.078 444 HD11 LEU 56 HD11 LEU 56 8.094 0.180 -0.971 445 HD12 LEU 56 HD12 LEU 56 9.596 -0.028 -1.900 446 HD13 LEU 56 HD13 LEU 56 9.647 0.698 -0.279 447 HD21 LEU 56 HD21 LEU 56 7.051 1.455 -2.820 448 HD22 LEU 56 HD22 LEU 56 7.923 2.816 -3.563 449 HD23 LEU 56 HD23 LEU 56 8.529 1.156 -3.766 450 H SER 57 H SER 57 11.428 2.722 -0.615 451 HA SER 57 HA SER 57 11.463 0.757 1.489 452 HB2 SER 57 HB2 SER 57 13.651 1.748 -0.384 453 HB3 SER 57 HB3 SER 57 13.738 0.286 0.628 454 HG SER 57 HG SER 57 13.033 -0.176 -1.497 455 H ASP 58 H ASP 58 12.431 4.100 1.276 456 HA ASP 58 HA ASP 58 14.238 3.869 3.599 457 HB2 ASP 58 HB2 ASP 58 14.820 5.350 1.699 458 HB3 ASP 58 HB3 ASP 58 13.319 6.261 1.956 459 H TYR 59 H TYR 59 10.919 4.298 2.858 460 HA TYR 59 HA TYR 59 10.298 6.042 5.082 461 HB2 TYR 59 HB2 TYR 59 9.128 5.550 2.731 462 HB3 TYR 59 HB3 TYR 59 8.225 4.389 3.698 463 HD1 TYR 59 HD1 TYR 59 7.593 7.221 2.232 464 HD2 TYR 59 HD2 TYR 59 8.041 5.897 6.298 465 HE1 TYR 59 HE1 TYR 59 6.148 9.086 2.992 466 HE2 TYR 59 HE2 TYR 59 6.590 7.752 7.068 467 HH TYR 59 HH TYR 59 5.324 9.568 6.451 468 H ASN 60 H ASN 60 8.945 2.748 4.380 469 HA ASN 60 HA ASN 60 9.713 1.852 7.070 470 HB2 ASN 60 HB2 ASN 60 6.872 2.505 6.271 471 HB3 ASN 60 HB3 ASN 60 7.210 1.196 7.416 472 HD21 ASN 60 HD21 ASN 60 7.153 4.990 8.731 473 HD22 ASN 60 HD22 ASN 60 6.526 4.464 7.184 474 H ILE 61 H ILE 61 8.466 1.279 3.815 475 HA ILE 61 HA ILE 61 7.639 -1.385 4.015 476 HB ILE 61 HB ILE 61 8.826 0.314 1.838 477 HG12 ILE 61 HG12 ILE 61 6.713 -0.557 0.712 478 HG13 ILE 61 HG13 ILE 61 6.294 -1.343 2.248 479 HG21 ILE 61 HG21 ILE 61 8.699 -1.637 0.283 480 HG22 ILE 61 HG22 ILE 61 9.982 -1.820 1.497 481 HG23 ILE 61 HG23 ILE 61 8.449 -2.706 1.680 482 HD11 ILE 61 HD11 ILE 61 5.267 0.963 1.851 483 HD12 ILE 61 HD12 ILE 61 6.167 0.780 3.378 484 HD13 ILE 61 HD13 ILE 61 6.907 1.627 1.995 485 H GLN 62 H GLN 62 8.588 -3.332 4.183 486 HA GLN 62 HA GLN 62 11.547 -3.500 4.003 487 HB2 GLN 62 HB2 GLN 62 9.747 -4.414 6.272 488 HB3 GLN 62 HB3 GLN 62 11.341 -5.145 5.977 489 HG2 GLN 62 HG2 GLN 62 12.425 -2.956 6.183 490 HG3 GLN 62 HG3 GLN 62 10.848 -2.172 6.402 491 HE21 GLN 62 HE21 GLN 62 10.344 -3.390 9.754 492 HE22 GLN 62 HE22 GLN 62 9.511 -2.920 8.289 493 H LYS 63 H LYS 63 12.233 -5.824 3.754 494 HA LYS 63 HA LYS 63 10.748 -7.039 1.657 495 HB2 LYS 63 HB2 LYS 63 12.421 -8.899 1.958 496 HB3 LYS 63 HB3 LYS 63 13.125 -7.285 1.737 497 HG2 LYS 63 HG2 LYS 63 13.396 -7.083 4.209 498 HG3 LYS 63 HG3 LYS 63 12.782 -8.743 4.391 499 HD2 LYS 63 HD2 LYS 63 14.627 -9.581 2.968 500 HD3 LYS 63 HD3 LYS 63 15.231 -7.918 2.773 501 HE2 LYS 63 HE2 LYS 63 15.530 -7.758 5.237 502 HE3 LYS 63 HE3 LYS 63 14.976 -9.437 5.401 503 HZ1 LYS 63 HZ1 LYS 63 17.349 -8.542 3.916 504 HZ2 LYS 63 HZ2 LYS 63 17.346 -9.306 5.377 505 HZ3 LYS 63 HZ3 LYS 63 16.826 -10.103 4.030 506 H GLU 64 H GLU 64 9.049 -8.329 1.685 507 HA GLU 64 HA GLU 64 7.337 -9.607 2.439 508 HB2 GLU 64 HB2 GLU 64 9.710 -10.948 3.782 509 HB3 GLU 64 HB3 GLU 64 8.068 -11.621 3.780 510 HG2 GLU 64 HG2 GLU 64 9.096 -12.645 1.931 511 HG3 GLU 64 HG3 GLU 64 8.112 -11.350 1.224 512 H SER 65 H SER 65 7.557 -7.175 3.880 513 HA SER 65 HA SER 65 6.763 -8.056 6.608 514 HB2 SER 65 HB2 SER 65 8.515 -6.150 6.075 515 HB3 SER 65 HB3 SER 65 7.054 -5.171 5.804 516 HG SER 65 HG SER 65 7.978 -6.438 8.139 517 H THR 66 H THR 66 4.812 -6.819 7.506 518 HA THR 66 HA THR 66 2.727 -6.857 5.404 519 HB THR 66 HB THR 66 2.492 -6.948 8.435 520 HG1 THR 66 HG1 THR 66 2.170 -9.154 8.067 521 HG21 THR 66 HG21 THR 66 0.200 -7.771 7.929 522 HG22 THR 66 HG22 THR 66 0.461 -6.125 7.311 523 HG23 THR 66 HG23 THR 66 0.501 -7.509 6.194 524 H LEU 67 H LEU 67 1.606 -5.078 4.826 525 HA LEU 67 HA LEU 67 2.188 -2.545 6.280 526 HB2 LEU 67 HB2 LEU 67 1.224 -3.255 3.497 527 HB3 LEU 67 HB3 LEU 67 0.861 -1.664 4.196 528 HG LEU 67 HG LEU 67 3.343 -1.428 4.710 529 HD11 LEU 67 HD11 LEU 67 3.430 -3.832 2.834 530 HD12 LEU 67 HD12 LEU 67 4.837 -2.823 3.249 531 HD13 LEU 67 HD13 LEU 67 4.021 -3.770 4.512 532 HD21 LEU 67 HD21 LEU 67 2.223 -0.278 2.833 533 HD22 LEU 67 HD22 LEU 67 3.872 -0.773 2.384 534 HD23 LEU 67 HD23 LEU 67 2.475 -1.707 1.802 535 H HIS 68 H HIS 68 0.152 -1.019 6.234 536 HA HIS 68 HA HIS 68 -2.267 -2.618 6.899 537 HB2 HIS 68 HB2 HIS 68 -1.038 -1.799 8.937 538 HB3 HIS 68 HB3 HIS 68 -1.313 -0.142 8.374 539 HD1 HIS 68 HD1 HIS 68 -2.863 -2.621 10.559 540 HD2 HIS 68 HD2 HIS 68 -4.182 0.244 7.779 541 HE1 HIS 68 HE1 HIS 68 -5.338 -2.205 11.057 542 H LEU 69 H LEU 69 -3.587 -2.205 5.250 543 HA LEU 69 HA LEU 69 -3.496 0.430 3.913 544 HB2 LEU 69 HB2 LEU 69 -3.244 -1.751 2.687 545 HB3 LEU 69 HB3 LEU 69 -4.883 -2.189 3.202 546 HG LEU 69 HG LEU 69 -5.682 -0.055 2.085 547 HD11 LEU 69 HD11 LEU 69 -2.861 0.331 1.850 548 HD12 LEU 69 HD12 LEU 69 -3.481 0.080 0.205 549 HD13 LEU 69 HD13 LEU 69 -4.156 1.377 1.214 550 HD21 LEU 69 HD21 LEU 69 -5.601 -1.064 -0.178 551 HD22 LEU 69 HD22 LEU 69 -4.295 -2.148 0.352 552 HD23 LEU 69 HD23 LEU 69 -5.918 -2.297 1.062 553 H ALA 70 H ALA 70 -5.427 1.632 3.505 554 HA ALA 70 HA ALA 70 -7.744 0.917 5.227 555 HB1 ALA 70 HB1 ALA 70 -7.271 3.799 4.781 556 HB2 ALA 70 HB2 ALA 70 -7.743 2.934 6.251 557 HB3 ALA 70 HB3 ALA 70 -6.027 2.994 5.780 558 H LEU 71 H LEU 71 -9.763 1.268 4.325 559 HA LEU 71 HA LEU 71 -9.786 2.260 1.513 560 HB2 LEU 71 HB2 LEU 71 -11.084 -0.171 2.792 561 HB3 LEU 71 HB3 LEU 71 -11.777 0.588 1.355 562 HG LEU 71 HG LEU 71 -10.458 -1.199 0.554 563 HD11 LEU 71 HD11 LEU 71 -10.242 0.962 -0.650 564 HD12 LEU 71 HD12 LEU 71 -8.780 1.322 0.289 565 HD13 LEU 71 HD13 LEU 71 -8.799 -0.065 -0.820 566 HD21 LEU 71 HD21 LEU 71 -8.371 -0.240 2.518 567 HD22 LEU 71 HD22 LEU 71 -9.050 -1.856 2.299 568 HD23 LEU 71 HD23 LEU 71 -7.918 -1.209 1.092 569 H ARG 72 H ARG 72 -12.043 2.830 0.810 570 HA ARG 72 HA ARG 72 -13.236 4.717 2.621 571 HB2 ARG 72 HB2 ARG 72 -14.922 4.916 0.800 572 HB3 ARG 72 HB3 ARG 72 -13.259 5.012 0.176 573 HG2 ARG 72 HG2 ARG 72 -13.336 2.668 -0.514 574 HG3 ARG 72 HG3 ARG 72 -14.943 2.466 0.221 575 HD2 ARG 72 HD2 ARG 72 -14.318 4.442 -2.006 576 HD3 ARG 72 HD3 ARG 72 -14.985 2.817 -2.273 577 HE ARG 72 HE ARG 72 -16.650 4.054 -0.390 578 HH11 ARG 72 HH11 ARG 72 -15.642 4.515 -3.748 579 HH12 ARG 72 HH12 ARG 72 -17.150 5.251 -4.241 580 HH21 ARG 72 HH21 ARG 72 -18.640 5.012 -1.041 581 HH22 ARG 72 HH22 ARG 72 -18.877 5.506 -2.700 582 H LEU 73 H LEU 73 -15.680 4.626 3.048 583 HA LEU 73 HA LEU 73 -16.341 2.029 4.263 584 HB2 LEU 73 HB2 LEU 73 -17.868 4.666 4.102 585 HB3 LEU 73 HB3 LEU 73 -18.327 3.262 5.088 586 HG LEU 73 HG LEU 73 -15.730 4.840 5.364 587 HD11 LEU 73 HD11 LEU 73 -16.726 5.623 7.485 588 HD12 LEU 73 HD12 LEU 73 -17.721 6.107 6.092 589 HD13 LEU 73 HD13 LEU 73 -18.224 4.738 7.111 590 HD21 LEU 73 HD21 LEU 73 -16.928 2.593 7.041 591 HD22 LEU 73 HD22 LEU 73 -15.481 2.470 6.010 592 HD23 LEU 73 HD23 LEU 73 -15.464 3.516 7.445 593 H ARG 74 H ARG 74 -18.627 1.139 3.803 594 HA ARG 74 HA ARG 74 -18.893 0.866 0.928 595 HB2 ARG 74 HB2 ARG 74 -19.344 -0.950 2.650 596 HB3 ARG 74 HB3 ARG 74 -20.846 -0.081 3.059 597 HG2 ARG 74 HG2 ARG 74 -21.571 -0.233 0.694 598 HG3 ARG 74 HG3 ARG 74 -20.048 -1.042 0.274 599 HD2 ARG 74 HD2 ARG 74 -21.710 -2.752 0.494 600 HD3 ARG 74 HD3 ARG 74 -20.659 -2.865 1.920 601 HE ARG 74 HE ARG 74 -22.655 -1.235 2.806 602 HH11 ARG 74 HH11 ARG 74 -22.667 -4.336 1.101 603 HH12 ARG 74 HH12 ARG 74 -24.206 -4.842 1.757 604 HH21 ARG 74 HH21 ARG 74 -24.662 -1.907 3.683 605 HH22 ARG 74 HH22 ARG 74 -25.340 -3.462 3.256 606 H GLY 75 H GLY 75 -20.540 2.641 3.538 607 HA2 GLY 75 HA2 GLY 75 -21.450 4.830 2.887 608 HA3 GLY 75 HA3 GLY 75 -22.139 4.049 1.448 609 H GLY 76 H GLY 76 -22.450 1.725 3.760 610 HA2 GLY 76 HA2 GLY 76 -24.348 2.468 5.609 611 HA3 GLY 76 HA3 GLY 76 -25.275 2.229 4.110 Start of MODEL 3 1 H1 MET 1 H MET 1 11.645 -8.773 -0.031 2 HA MET 1 HA MET 1 12.283 -6.626 -0.988 3 HB2 MET 1 HB2 MET 1 13.537 -7.671 -2.892 4 HB3 MET 1 HB3 MET 1 11.966 -7.960 -3.688 5 HG2 MET 1 HG2 MET 1 11.437 -5.587 -3.599 6 HG3 MET 1 HG3 MET 1 12.877 -5.263 -2.629 7 HE1 MET 1 HE1 MET 1 13.574 -3.294 -4.103 8 HE2 MET 1 HE2 MET 1 13.665 -3.354 -5.880 9 HE3 MET 1 HE3 MET 1 12.096 -3.539 -5.063 10 H GLN 2 H GLN 2 9.841 -9.075 -1.726 11 HA GLN 2 HA GLN 2 7.913 -7.003 -2.581 12 HB2 GLN 2 HB2 GLN 2 7.904 -10.047 -2.407 13 HB3 GLN 2 HB3 GLN 2 6.474 -9.098 -2.866 14 HG2 GLN 2 HG2 GLN 2 7.626 -8.170 -4.790 15 HG3 GLN 2 HG3 GLN 2 9.155 -8.923 -4.294 16 HE21 GLN 2 HE21 GLN 2 6.941 -10.941 -6.845 17 HE22 GLN 2 HE22 GLN 2 7.050 -9.207 -6.661 18 H ILE 3 H ILE 3 5.667 -7.210 -1.535 19 HA ILE 3 HA ILE 3 6.027 -7.727 1.371 20 HB ILE 3 HB ILE 3 4.926 -5.543 1.809 21 HG12 ILE 3 HG12 ILE 3 5.252 -5.139 -1.204 22 HG13 ILE 3 HG13 ILE 3 3.714 -5.389 -0.349 23 HG21 ILE 3 HG21 ILE 3 6.871 -4.151 1.255 24 HG22 ILE 3 HG22 ILE 3 7.408 -5.769 1.760 25 HG23 ILE 3 HG23 ILE 3 7.398 -5.333 0.035 26 HD11 ILE 3 HD11 ILE 3 4.642 -3.342 1.123 27 HD12 ILE 3 HD12 ILE 3 5.508 -2.993 -0.380 28 HD13 ILE 3 HD13 ILE 3 3.731 -3.081 -0.393 29 H PHE 4 H PHE 4 3.788 -7.256 2.517 30 HA PHE 4 HA PHE 4 1.604 -8.412 0.866 31 HB2 PHE 4 HB2 PHE 4 2.502 -9.235 3.648 32 HB3 PHE 4 HB3 PHE 4 0.993 -9.754 2.887 33 HD1 PHE 4 HD1 PHE 4 0.957 -11.428 1.154 34 HD2 PHE 4 HD2 PHE 4 4.685 -10.014 2.758 35 HE1 PHE 4 HE1 PHE 4 2.143 -13.312 0.058 36 HE2 PHE 4 HE2 PHE 4 5.872 -11.890 1.651 37 HZ PHE 4 HZ PHE 4 4.601 -13.539 0.302 38 H VAL 5 H VAL 5 0.133 -6.839 0.731 39 HA VAL 5 HA VAL 5 -0.231 -4.981 3.005 40 HB VAL 5 HB VAL 5 -1.349 -4.971 0.168 41 HG11 VAL 5 HG11 VAL 5 -1.903 -2.611 0.700 42 HG12 VAL 5 HG12 VAL 5 -2.749 -3.741 1.782 43 HG13 VAL 5 HG13 VAL 5 -1.318 -2.855 2.363 44 HG21 VAL 5 HG21 VAL 5 0.309 -3.176 -0.221 45 HG22 VAL 5 HG22 VAL 5 0.946 -3.406 1.424 46 HG23 VAL 5 HG23 VAL 5 1.109 -4.703 0.216 47 H LYS 6 H LYS 6 -1.895 -5.265 4.411 48 HA LYS 6 HA LYS 6 -3.963 -7.252 3.643 49 HB2 LYS 6 HB2 LYS 6 -2.474 -7.642 5.644 50 HB3 LYS 6 HB3 LYS 6 -3.233 -6.231 6.413 51 HG2 LYS 6 HG2 LYS 6 -5.432 -7.304 6.285 52 HG3 LYS 6 HG3 LYS 6 -4.745 -8.660 5.357 53 HD2 LYS 6 HD2 LYS 6 -3.253 -9.191 7.283 54 HD3 LYS 6 HD3 LYS 6 -4.032 -7.894 8.221 55 HE2 LYS 6 HE2 LYS 6 -6.209 -9.035 8.022 56 HE3 LYS 6 HE3 LYS 6 -5.468 -10.283 6.998 57 HZ1 LYS 6 HZ1 LYS 6 -5.214 -11.329 8.899 58 HZ2 LYS 6 HZ2 LYS 6 -3.923 -10.342 9.140 59 HZ3 LYS 6 HZ3 LYS 6 -5.373 -9.972 9.835 60 H THR 7 H THR 7 -5.868 -6.452 3.009 61 HA THR 7 HA THR 7 -6.625 -3.707 3.316 62 HB THR 7 HB THR 7 -8.755 -4.466 2.359 63 HG1 THR 7 HG1 THR 7 -9.100 -6.685 2.109 64 HG21 THR 7 HG21 THR 7 -7.900 -5.590 0.322 65 HG22 THR 7 HG22 THR 7 -6.827 -4.265 0.821 66 HG23 THR 7 HG23 THR 7 -6.374 -5.950 1.159 67 H ALA 8 H ALA 8 -8.949 -3.244 4.255 68 HA ALA 8 HA ALA 8 -8.815 -3.765 7.087 69 HB1 ALA 8 HB1 ALA 8 -10.913 -2.463 7.139 70 HB2 ALA 8 HB2 ALA 8 -9.682 -1.653 6.142 71 HB3 ALA 8 HB3 ALA 8 -11.010 -2.545 5.364 72 H THR 9 H THR 9 -9.945 -5.607 4.443 73 HA THR 9 HA THR 9 -11.992 -6.984 6.087 74 HB THR 9 HB THR 9 -12.480 -8.173 3.949 75 HG1 THR 9 HG1 THR 9 -11.518 -7.223 2.066 76 HG21 THR 9 HG21 THR 9 -13.216 -5.655 4.754 77 HG22 THR 9 HG22 THR 9 -12.568 -5.318 3.142 78 HG23 THR 9 HG23 THR 9 -13.893 -6.491 3.328 79 H GLY 10 H GLY 10 -8.696 -7.034 5.625 80 HA2 GLY 10 HA2 GLY 10 -7.235 -8.555 6.591 81 HA3 GLY 10 HA3 GLY 10 -8.537 -9.756 6.696 82 H LYS 11 H LYS 11 -8.715 -8.547 3.597 83 HA LYS 11 HA LYS 11 -7.605 -10.947 2.449 84 HB2 LYS 11 HB2 LYS 11 -8.555 -8.346 1.185 85 HB3 LYS 11 HB3 LYS 11 -8.179 -9.844 0.302 86 HG2 LYS 11 HG2 LYS 11 -9.903 -11.052 1.596 87 HG3 LYS 11 HG3 LYS 11 -10.277 -9.566 2.498 88 HD2 LYS 11 HD2 LYS 11 -10.898 -8.445 0.370 89 HD3 LYS 11 HD3 LYS 11 -10.565 -9.956 -0.512 90 HE2 LYS 11 HE2 LYS 11 -12.288 -11.122 0.833 91 HE3 LYS 11 HE3 LYS 11 -12.587 -9.625 1.738 92 HZ1 LYS 11 HZ1 LYS 11 -12.909 -8.790 -0.730 93 HZ2 LYS 11 HZ2 LYS 11 -13.394 -10.347 -0.915 94 HZ3 LYS 11 HZ3 LYS 11 -14.146 -9.390 0.197 95 H THR 12 H THR 12 -5.494 -11.333 2.223 96 HA THR 12 HA THR 12 -3.532 -9.211 2.401 97 HB THR 12 HB THR 12 -3.158 -12.132 1.640 98 HG1 THR 12 HG1 THR 12 -2.883 -12.409 3.893 99 HG21 THR 12 HG21 THR 12 -1.352 -10.066 2.965 100 HG22 THR 12 HG22 THR 12 -0.931 -11.770 2.677 101 HG23 THR 12 HG23 THR 12 -1.196 -10.675 1.301 102 H ILE 13 H ILE 13 -2.267 -8.345 0.779 103 HA ILE 13 HA ILE 13 -2.758 -9.318 -1.985 104 HB ILE 13 HB ILE 13 -2.494 -6.409 -1.144 105 HG12 ILE 13 HG12 ILE 13 -4.964 -7.968 -2.019 106 HG13 ILE 13 HG13 ILE 13 -4.632 -7.409 -0.365 107 HG21 ILE 13 HG21 ILE 13 -3.104 -5.971 -3.490 108 HG22 ILE 13 HG22 ILE 13 -1.655 -6.995 -3.415 109 HG23 ILE 13 HG23 ILE 13 -3.234 -7.720 -3.797 110 HD11 ILE 13 HD11 ILE 13 -6.139 -5.838 -1.481 111 HD12 ILE 13 HD12 ILE 13 -4.567 -5.059 -1.189 112 HD13 ILE 13 HD13 ILE 13 -4.988 -5.638 -2.819 113 H THR 14 H THR 14 -0.871 -10.261 -2.527 114 HA THR 14 HA THR 14 1.693 -9.403 -1.505 115 HB THR 14 HB THR 14 1.039 -11.124 -3.931 116 HG1 THR 14 HG1 THR 14 1.415 -11.866 -1.216 117 HG21 THR 14 HG21 THR 14 3.456 -10.986 -2.076 118 HG22 THR 14 HG22 THR 14 3.250 -12.126 -3.427 119 HG23 THR 14 HG23 THR 14 3.392 -10.382 -3.749 120 H LEU 15 H LEU 15 2.897 -7.683 -2.247 121 HA LEU 15 HA LEU 15 2.130 -6.632 -4.930 122 HB2 LEU 15 HB2 LEU 15 1.495 -5.354 -2.707 123 HB3 LEU 15 HB3 LEU 15 3.206 -4.870 -2.740 124 HG LEU 15 HG LEU 15 2.843 -4.104 -5.136 125 HD11 LEU 15 HD11 LEU 15 0.935 -4.775 -6.148 126 HD12 LEU 15 HD12 LEU 15 0.276 -5.387 -4.610 127 HD13 LEU 15 HD13 LEU 15 0.042 -3.685 -5.069 128 HD21 LEU 15 HD21 LEU 15 1.076 -2.843 -2.997 129 HD22 LEU 15 HD22 LEU 15 2.817 -2.547 -3.219 130 HD23 LEU 15 HD23 LEU 15 1.663 -2.039 -4.473 131 H GLU 16 H GLU 16 3.809 -5.569 -6.141 132 HA GLU 16 HA GLU 16 6.585 -6.125 -5.247 133 HB2 GLU 16 HB2 GLU 16 5.847 -7.993 -6.684 134 HB3 GLU 16 HB3 GLU 16 5.382 -6.835 -7.951 135 HG2 GLU 16 HG2 GLU 16 7.722 -6.033 -8.077 136 HG3 GLU 16 HG3 GLU 16 8.188 -7.194 -6.817 137 H VAL 17 H VAL 17 7.453 -4.102 -5.131 138 HA VAL 17 HA VAL 17 7.050 -2.365 -7.512 139 HB VAL 17 HB VAL 17 7.028 -0.406 -5.990 140 HG11 VAL 17 HG11 VAL 17 4.726 -0.725 -5.163 141 HG12 VAL 17 HG12 VAL 17 4.909 -1.407 -6.795 142 HG13 VAL 17 HG13 VAL 17 4.881 -2.484 -5.378 143 HG21 VAL 17 HG21 VAL 17 6.652 -0.755 -3.578 144 HG22 VAL 17 HG22 VAL 17 6.819 -2.513 -3.794 145 HG23 VAL 17 HG23 VAL 17 8.213 -1.442 -4.080 146 H GLU 18 H GLU 18 8.776 -0.623 -7.637 147 HA GLU 18 HA GLU 18 11.389 -1.812 -6.933 148 HB2 GLU 18 HB2 GLU 18 10.550 0.443 -8.781 149 HB3 GLU 18 HB3 GLU 18 12.247 0.045 -8.438 150 HG2 GLU 18 HG2 GLU 18 12.157 -1.962 -9.590 151 HG3 GLU 18 HG3 GLU 18 10.436 -2.204 -9.239 152 HA PRO 19 HA PRO 19 12.186 0.584 -3.512 153 HB2 PRO 19 HB2 PRO 19 14.726 1.632 -4.687 154 HB3 PRO 19 HB3 PRO 19 14.482 0.689 -3.182 155 HG2 PRO 19 HG2 PRO 19 15.527 -0.424 -5.468 156 HG3 PRO 19 HG3 PRO 19 14.481 -1.349 -4.340 157 HD2 PRO 19 HD2 PRO 19 13.788 -0.120 -6.991 158 HD3 PRO 19 HD3 PRO 19 13.173 -1.621 -6.241 159 H SER 20 H SER 20 12.502 2.270 -6.613 160 HA SER 20 HA SER 20 12.111 4.858 -5.202 161 HB2 SER 20 HB2 SER 20 13.354 4.270 -7.913 162 HB3 SER 20 HB3 SER 20 13.236 5.863 -7.129 163 HG SER 20 HG SER 20 15.248 4.965 -6.718 164 H ASP 21 H ASP 21 10.002 2.857 -6.152 165 HA ASP 21 HA ASP 21 8.762 4.231 -8.431 166 HB2 ASP 21 HB2 ASP 21 8.126 1.853 -6.685 167 HB3 ASP 21 HB3 ASP 21 6.823 2.620 -7.606 168 H THR 22 H THR 22 9.012 4.728 -5.074 169 HA THR 22 HA THR 22 8.117 6.370 -3.768 170 HB THR 22 HB THR 22 6.270 7.096 -6.063 171 HG1 THR 22 HG1 THR 22 8.480 7.021 -6.719 172 HG21 THR 22 HG21 THR 22 7.559 8.979 -4.094 173 HG22 THR 22 HG22 THR 22 6.053 9.166 -5.004 174 HG23 THR 22 HG23 THR 22 6.104 8.057 -3.617 175 H ILE 23 H ILE 23 6.293 6.604 -2.354 176 HA ILE 23 HA ILE 23 4.799 4.259 -1.932 177 HB ILE 23 HB ILE 23 4.351 7.142 -1.076 178 HG12 ILE 23 HG12 ILE 23 6.446 6.037 -0.289 179 HG13 ILE 23 HG13 ILE 23 5.326 6.409 1.036 180 HG21 ILE 23 HG21 ILE 23 2.924 6.088 0.736 181 HG22 ILE 23 HG22 ILE 23 2.213 6.048 -0.895 182 HG23 ILE 23 HG23 ILE 23 2.954 4.583 -0.210 183 HD11 ILE 23 HD11 ILE 23 6.289 4.150 1.290 184 HD12 ILE 23 HD12 ILE 23 4.532 4.069 1.043 185 HD13 ILE 23 HD13 ILE 23 5.639 3.685 -0.296 186 H GLU 24 H GLU 24 4.149 7.075 -3.987 187 HA GLU 24 HA GLU 24 1.364 6.808 -4.229 188 HB2 GLU 24 HB2 GLU 24 2.648 8.740 -5.037 189 HB3 GLU 24 HB3 GLU 24 3.403 7.730 -6.293 190 HG2 GLU 24 HG2 GLU 24 1.221 7.299 -7.312 191 HG3 GLU 24 HG3 GLU 24 0.404 8.174 -6.001 192 H ASN 25 H ASN 25 4.015 5.076 -5.914 193 HA ASN 25 HA ASN 25 2.285 3.888 -7.864 194 HB2 ASN 25 HB2 ASN 25 4.754 4.178 -8.085 195 HB3 ASN 25 HB3 ASN 25 4.979 2.946 -6.831 196 HD21 ASN 25 HD21 ASN 25 4.350 1.892 -10.702 197 HD22 ASN 25 HD22 ASN 25 4.470 3.558 -10.184 198 H VAL 26 H VAL 26 3.182 3.059 -4.535 199 HA VAL 26 HA VAL 26 2.492 0.312 -4.615 200 HB VAL 26 HB VAL 26 2.175 2.295 -2.322 201 HG11 VAL 26 HG11 VAL 26 1.066 0.092 -1.973 202 HG12 VAL 26 HG12 VAL 26 2.610 -0.718 -2.323 203 HG13 VAL 26 HG13 VAL 26 2.458 0.322 -0.890 204 HG21 VAL 26 HG21 VAL 26 4.453 2.369 -3.252 205 HG22 VAL 26 HG22 VAL 26 4.454 1.556 -1.671 206 HG23 VAL 26 HG23 VAL 26 4.560 0.594 -3.164 207 H LYS 27 H LYS 27 0.563 3.275 -4.500 208 HA LYS 27 HA LYS 27 -1.908 1.883 -3.822 209 HB2 LYS 27 HB2 LYS 27 -1.371 4.687 -4.891 210 HB3 LYS 27 HB3 LYS 27 -2.929 4.094 -4.278 211 HG2 LYS 27 HG2 LYS 27 -1.822 3.593 -2.081 212 HG3 LYS 27 HG3 LYS 27 -0.331 4.340 -2.701 213 HD2 LYS 27 HD2 LYS 27 -3.041 5.720 -2.454 214 HD3 LYS 27 HD3 LYS 27 -1.665 5.938 -1.349 215 HE2 LYS 27 HE2 LYS 27 -0.286 6.756 -3.246 216 HE3 LYS 27 HE3 LYS 27 -1.681 6.572 -4.329 217 HZ1 LYS 27 HZ1 LYS 27 -1.527 8.345 -1.991 218 HZ2 LYS 27 HZ2 LYS 27 -1.482 8.809 -3.575 219 HZ3 LYS 27 HZ3 LYS 27 -2.856 8.150 -2.948 220 H ALA 28 H ALA 28 -0.131 2.823 -6.739 221 HA ALA 28 HA ALA 28 -2.371 2.640 -8.518 222 HB1 ALA 28 HB1 ALA 28 -0.722 2.815 -10.259 223 HB2 ALA 28 HB2 ALA 28 -0.188 3.854 -8.923 224 HB3 ALA 28 HB3 ALA 28 0.578 2.266 -9.167 225 H LYS 29 H LYS 29 0.023 0.304 -7.262 226 HA LYS 29 HA LYS 29 -0.653 -1.769 -9.134 227 HB2 LYS 29 HB2 LYS 29 0.580 -1.872 -6.352 228 HB3 LYS 29 HB3 LYS 29 0.553 -3.221 -7.507 229 HG2 LYS 29 HG2 LYS 29 1.826 -0.515 -8.092 230 HG3 LYS 29 HG3 LYS 29 2.716 -1.917 -7.465 231 HD2 LYS 29 HD2 LYS 29 2.009 -3.243 -9.444 232 HD3 LYS 29 HD3 LYS 29 1.180 -1.808 -10.095 233 HE2 LYS 29 HE2 LYS 29 3.313 -0.573 -10.121 234 HE3 LYS 29 HE3 LYS 29 4.148 -1.975 -9.424 235 HZ1 LYS 29 HZ1 LYS 29 4.414 -1.862 -11.790 236 HZ2 LYS 29 HZ2 LYS 29 3.571 -3.218 -11.376 237 HZ3 LYS 29 HZ3 LYS 29 2.785 -1.920 -12.025 238 H ILE 30 H ILE 30 -2.084 -0.569 -6.145 239 HA ILE 30 HA ILE 30 -3.701 -3.007 -5.814 240 HB ILE 30 HB ILE 30 -3.555 -0.374 -4.282 241 HG12 ILE 30 HG12 ILE 30 -2.610 -3.184 -3.546 242 HG13 ILE 30 HG13 ILE 30 -1.555 -1.913 -4.200 243 HG21 ILE 30 HG21 ILE 30 -4.691 -2.330 -2.645 244 HG22 ILE 30 HG22 ILE 30 -5.584 -1.022 -3.472 245 HG23 ILE 30 HG23 ILE 30 -5.453 -2.636 -4.210 246 HD11 ILE 30 HD11 ILE 30 -1.245 -1.212 -2.083 247 HD12 ILE 30 HD12 ILE 30 -2.921 -0.633 -2.121 248 HD13 ILE 30 HD13 ILE 30 -2.561 -2.251 -1.472 249 H GLN 31 H GLN 31 -3.886 0.169 -7.306 250 HA GLN 31 HA GLN 31 -6.722 0.429 -7.301 251 HB2 GLN 31 HB2 GLN 31 -5.172 2.272 -7.839 252 HB3 GLN 31 HB3 GLN 31 -4.660 1.419 -9.316 253 HG2 GLN 31 HG2 GLN 31 -6.952 1.507 -10.192 254 HG3 GLN 31 HG3 GLN 31 -7.521 2.264 -8.691 255 HE21 GLN 31 HE21 GLN 31 -7.216 5.283 -10.551 256 HE22 GLN 31 HE22 GLN 31 -8.316 4.051 -9.973 257 H ASP 32 H ASP 32 -4.445 -1.430 -9.306 258 HA ASP 32 HA ASP 32 -6.490 -2.085 -11.277 259 HB2 ASP 32 HB2 ASP 32 -4.059 -1.867 -11.810 260 HB3 ASP 32 HB3 ASP 32 -3.738 -3.292 -10.802 261 H LYS 33 H LYS 33 -5.230 -3.404 -8.256 262 HA LYS 33 HA LYS 33 -6.335 -6.055 -8.741 263 HB2 LYS 33 HB2 LYS 33 -4.234 -5.703 -7.470 264 HB3 LYS 33 HB3 LYS 33 -5.131 -4.778 -6.249 265 HG2 LYS 33 HG2 LYS 33 -4.822 -7.064 -5.460 266 HG3 LYS 33 HG3 LYS 33 -6.544 -6.796 -5.803 267 HD2 LYS 33 HD2 LYS 33 -6.278 -7.908 -8.002 268 HD3 LYS 33 HD3 LYS 33 -4.547 -8.155 -7.665 269 HE2 LYS 33 HE2 LYS 33 -5.141 -9.488 -5.659 270 HE3 LYS 33 HE3 LYS 33 -6.864 -9.252 -6.019 271 HZ1 LYS 33 HZ1 LYS 33 -6.103 -11.344 -6.835 272 HZ2 LYS 33 HZ2 LYS 33 -6.498 -10.374 -8.110 273 HZ3 LYS 33 HZ3 LYS 33 -4.915 -10.633 -7.730 274 H GLU 34 H GLU 34 -6.920 -3.508 -6.225 275 HA GLU 34 HA GLU 34 -9.396 -4.868 -5.493 276 HB2 GLU 34 HB2 GLU 34 -7.683 -3.802 -3.903 277 HB3 GLU 34 HB3 GLU 34 -8.305 -2.229 -4.441 278 HG2 GLU 34 HG2 GLU 34 -9.410 -2.963 -2.358 279 HG3 GLU 34 HG3 GLU 34 -10.574 -2.876 -3.692 280 H GLY 35 H GLY 35 -8.398 -2.329 -7.627 281 HA2 GLY 35 HA2 GLY 35 -9.710 -1.288 -9.229 282 HA3 GLY 35 HA3 GLY 35 -11.156 -1.976 -8.476 283 H ILE 36 H ILE 36 -9.581 -0.627 -5.914 284 HA ILE 36 HA ILE 36 -11.385 1.669 -5.945 285 HB ILE 36 HB ILE 36 -9.414 0.656 -3.863 286 HG12 ILE 36 HG12 ILE 36 -12.440 0.325 -4.078 287 HG13 ILE 36 HG13 ILE 36 -11.258 -0.927 -4.515 288 HG21 ILE 36 HG21 ILE 36 -11.727 2.636 -3.662 289 HG22 ILE 36 HG22 ILE 36 -10.715 2.073 -2.309 290 HG23 ILE 36 HG23 ILE 36 -9.999 3.055 -3.603 291 HD11 ILE 36 HD11 ILE 36 -10.356 -0.874 -2.207 292 HD12 ILE 36 HD12 ILE 36 -11.592 0.328 -1.760 293 HD13 ILE 36 HD13 ILE 36 -12.077 -1.313 -2.242 294 HA PRO 37 HA PRO 37 -8.200 4.328 -7.621 295 HB2 PRO 37 HB2 PRO 37 -10.086 6.487 -6.844 296 HB3 PRO 37 HB3 PRO 37 -9.423 6.096 -8.462 297 HG2 PRO 37 HG2 PRO 37 -12.036 5.587 -7.732 298 HG3 PRO 37 HG3 PRO 37 -11.131 4.584 -8.912 299 HD2 PRO 37 HD2 PRO 37 -11.765 4.010 -6.038 300 HD3 PRO 37 HD3 PRO 37 -11.612 2.886 -7.423 301 HA PRO 38 HA PRO 38 -6.115 6.201 -4.199 302 HB2 PRO 38 HB2 PRO 38 -6.275 8.884 -5.509 303 HB3 PRO 38 HB3 PRO 38 -4.830 7.984 -4.948 304 HG2 PRO 38 HG2 PRO 38 -5.478 8.187 -7.605 305 HG3 PRO 38 HG3 PRO 38 -4.738 6.704 -6.916 306 HD2 PRO 38 HD2 PRO 38 -7.607 7.220 -7.654 307 HD3 PRO 38 HD3 PRO 38 -6.652 5.709 -7.775 308 H ASP 39 H ASP 39 -6.318 7.901 -2.469 309 HA ASP 39 HA ASP 39 -7.450 9.170 -0.981 310 HB2 ASP 39 HB2 ASP 39 -8.098 10.514 -3.017 311 HB3 ASP 39 HB3 ASP 39 -9.611 9.585 -3.068 312 H GLN 40 H GLN 40 -9.624 7.025 -2.888 313 HA GLN 40 HA GLN 40 -11.340 6.430 -0.633 314 HB2 GLN 40 HB2 GLN 40 -10.827 5.072 -3.311 315 HB3 GLN 40 HB3 GLN 40 -12.057 4.535 -2.144 316 HG2 GLN 40 HG2 GLN 40 -13.158 6.728 -2.251 317 HG3 GLN 40 HG3 GLN 40 -11.908 7.323 -3.362 318 HE21 GLN 40 HE21 GLN 40 -13.657 6.247 -6.192 319 HE22 GLN 40 HE22 GLN 40 -12.541 7.369 -5.442 320 H GLN 41 H GLN 41 -8.192 5.535 -1.675 321 HA GLN 41 HA GLN 41 -8.105 3.280 0.259 322 HB2 GLN 41 HB2 GLN 41 -6.290 2.379 -1.118 323 HB3 GLN 41 HB3 GLN 41 -7.719 2.649 -2.136 324 HG2 GLN 41 HG2 GLN 41 -6.754 4.744 -2.955 325 HG3 GLN 41 HG3 GLN 41 -5.375 4.577 -1.848 326 HE21 GLN 41 HE21 GLN 41 -5.314 2.770 -5.474 327 HE22 GLN 41 HE22 GLN 41 -6.571 3.879 -4.974 328 H ARG 42 H ARG 42 -6.051 3.104 1.462 329 HA ARG 42 HA ARG 42 -4.158 5.283 1.327 330 HB2 ARG 42 HB2 ARG 42 -6.402 5.557 3.100 331 HB3 ARG 42 HB3 ARG 42 -4.930 5.322 4.076 332 HG2 ARG 42 HG2 ARG 42 -3.808 7.138 2.948 333 HG3 ARG 42 HG3 ARG 42 -5.097 7.271 1.737 334 HD2 ARG 42 HD2 ARG 42 -5.533 7.718 4.711 335 HD3 ARG 42 HD3 ARG 42 -5.160 9.016 3.557 336 HE ARG 42 HE ARG 42 -7.459 7.300 2.912 337 HH11 ARG 42 HH11 ARG 42 -6.253 10.345 4.264 338 HH12 ARG 42 HH12 ARG 42 -7.769 11.196 4.051 339 HH21 ARG 42 HH21 ARG 42 -9.443 8.444 2.632 340 HH22 ARG 42 HH22 ARG 42 -9.575 10.116 3.136 341 H LEU 43 H LEU 43 -2.228 4.772 2.315 342 HA LEU 43 HA LEU 43 -2.018 1.957 3.253 343 HB2 LEU 43 HB2 LEU 43 -0.239 3.874 1.730 344 HB3 LEU 43 HB3 LEU 43 0.470 2.504 2.608 345 HG LEU 43 HG LEU 43 -1.795 2.160 0.614 346 HD11 LEU 43 HD11 LEU 43 0.197 3.173 -0.482 347 HD12 LEU 43 HD12 LEU 43 1.212 1.872 0.183 348 HD13 LEU 43 HD13 LEU 43 -0.063 1.494 -1.002 349 HD21 LEU 43 HD21 LEU 43 -0.976 -0.180 0.614 350 HD22 LEU 43 HD22 LEU 43 0.289 0.256 1.785 351 HD23 LEU 43 HD23 LEU 43 -1.422 0.324 2.261 352 H ALA 44 H ALA 44 -0.536 1.478 4.958 353 HA ALA 44 HA ALA 44 0.630 3.684 6.479 354 HB1 ALA 44 HB1 ALA 44 -1.449 1.812 7.694 355 HB2 ALA 44 HB2 ALA 44 -0.460 2.991 8.589 356 HB3 ALA 44 HB3 ALA 44 -1.661 3.554 7.404 357 H PHE 45 H PHE 45 1.991 2.770 8.289 358 HA PHE 45 HA PHE 45 2.675 -0.078 7.961 359 HB2 PHE 45 HB2 PHE 45 4.083 1.403 6.404 360 HB3 PHE 45 HB3 PHE 45 4.803 2.081 7.869 361 HD1 PHE 45 HD1 PHE 45 5.735 0.263 9.589 362 HD2 PHE 45 HD2 PHE 45 5.078 -0.428 5.398 363 HE1 PHE 45 HE1 PHE 45 7.319 -1.642 9.651 364 HE2 PHE 45 HE2 PHE 45 6.659 -2.338 5.466 365 HZ PHE 45 HZ PHE 45 7.785 -2.940 7.593 366 H ALA 46 H ALA 46 2.480 -0.838 9.997 367 HA ALA 46 HA ALA 46 2.505 -0.954 12.259 368 HB1 ALA 46 HB1 ALA 46 4.935 -0.890 11.871 369 HB2 ALA 46 HB2 ALA 46 4.910 0.886 11.974 370 HB3 ALA 46 HB3 ALA 46 4.499 -0.094 13.400 371 H GLY 47 H GLY 47 1.129 1.383 10.795 372 HA2 GLY 47 HA2 GLY 47 -0.568 2.668 11.874 373 HA3 GLY 47 HA3 GLY 47 0.498 2.880 13.277 374 H LYS 48 H LYS 48 2.657 3.288 10.905 375 HA LYS 48 HA LYS 48 2.559 6.182 11.072 376 HB2 LYS 48 HB2 LYS 48 4.275 4.347 9.351 377 HB3 LYS 48 HB3 LYS 48 4.598 6.055 9.711 378 HG2 LYS 48 HG2 LYS 48 4.891 5.538 12.089 379 HG3 LYS 48 HG3 LYS 48 4.428 3.842 11.803 380 HD2 LYS 48 HD2 LYS 48 6.351 3.631 10.212 381 HD3 LYS 48 HD3 LYS 48 6.858 5.278 10.656 382 HE2 LYS 48 HE2 LYS 48 7.085 4.577 13.010 383 HE3 LYS 48 HE3 LYS 48 6.530 2.945 12.586 384 HZ1 LYS 48 HZ1 LYS 48 8.890 3.024 12.702 385 HZ2 LYS 48 HZ2 LYS 48 8.439 2.761 11.138 386 HZ3 LYS 48 HZ3 LYS 48 8.970 4.251 11.601 387 H GLN 49 H GLN 49 1.398 7.512 9.702 388 HA GLN 49 HA GLN 49 0.104 6.421 7.356 389 HB2 GLN 49 HB2 GLN 49 0.597 9.358 7.932 390 HB3 GLN 49 HB3 GLN 49 -0.714 8.623 6.988 391 HG2 GLN 49 HG2 GLN 49 -1.468 7.480 9.130 392 HG3 GLN 49 HG3 GLN 49 -0.282 8.478 9.997 393 HE21 GLN 49 HE21 GLN 49 -2.772 10.925 10.424 394 HE22 GLN 49 HE22 GLN 49 -1.610 9.838 11.153 395 H LEU 50 H LEU 50 0.893 6.267 5.288 396 HA LEU 50 HA LEU 50 3.686 7.124 4.903 397 HB2 LEU 50 HB2 LEU 50 1.830 5.532 3.086 398 HB3 LEU 50 HB3 LEU 50 3.583 5.750 2.889 399 HG LEU 50 HG LEU 50 2.150 4.298 5.153 400 HD11 LEU 50 HD11 LEU 50 4.171 3.405 3.055 401 HD12 LEU 50 HD12 LEU 50 3.458 2.376 4.319 402 HD13 LEU 50 HD13 LEU 50 2.431 3.048 3.032 403 HD21 LEU 50 HD21 LEU 50 4.010 5.505 6.144 404 HD22 LEU 50 HD22 LEU 50 4.499 3.808 5.951 405 HD23 LEU 50 HD23 LEU 50 5.084 5.041 4.806 406 H GLU 51 H GLU 51 4.330 8.325 2.959 407 HA GLU 51 HA GLU 51 2.139 9.961 1.808 408 HB2 GLU 51 HB2 GLU 51 3.196 11.122 3.758 409 HB3 GLU 51 HB3 GLU 51 4.762 11.033 2.925 410 HG2 GLU 51 HG2 GLU 51 3.880 12.397 1.077 411 HG3 GLU 51 HG3 GLU 51 2.271 12.405 1.825 412 H ASP 52 H ASP 52 2.664 10.847 -0.278 413 HA ASP 52 HA ASP 52 4.567 9.167 -1.746 414 HB2 ASP 52 HB2 ASP 52 3.560 10.256 -3.706 415 HB3 ASP 52 HB3 ASP 52 2.314 9.584 -2.631 416 H GLY 53 H GLY 53 6.050 10.169 -3.337 417 HA2 GLY 53 HA2 GLY 53 7.354 11.995 -4.097 418 HA3 GLY 53 HA3 GLY 53 6.938 12.900 -2.632 419 H ARG 54 H ARG 54 7.693 9.684 -1.777 420 HA ARG 54 HA ARG 54 10.560 10.370 -1.404 421 HB2 ARG 54 HB2 ARG 54 9.331 11.001 0.641 422 HB3 ARG 54 HB3 ARG 54 8.658 9.362 0.753 423 HG2 ARG 54 HG2 ARG 54 10.911 8.425 1.028 424 HG3 ARG 54 HG3 ARG 54 11.633 10.035 0.807 425 HD2 ARG 54 HD2 ARG 54 10.489 10.834 2.845 426 HD3 ARG 54 HD3 ARG 54 9.704 9.253 3.034 427 HE ARG 54 HE ARG 54 12.403 8.660 2.933 428 HH11 ARG 54 HH11 ARG 54 10.354 10.772 4.888 429 HH12 ARG 54 HH12 ARG 54 11.347 10.623 6.321 430 HH21 ARG 54 HH21 ARG 54 13.708 8.460 4.814 431 HH22 ARG 54 HH22 ARG 54 13.264 9.312 6.277 432 H THR 55 H THR 55 11.932 8.553 -1.052 433 HA THR 55 HA THR 55 11.348 6.216 -2.568 434 HB THR 55 HB THR 55 13.416 6.620 -0.352 435 HG1 THR 55 HG1 THR 55 14.683 7.458 -2.045 436 HG21 THR 55 HG21 THR 55 13.503 4.357 -1.086 437 HG22 THR 55 HG22 THR 55 13.211 4.822 -2.791 438 HG23 THR 55 HG23 THR 55 14.763 5.185 -2.012 439 H LEU 56 H LEU 56 9.840 4.719 -1.995 440 HA LEU 56 HA LEU 56 8.715 4.555 0.576 441 HB2 LEU 56 HB2 LEU 56 7.588 2.552 -0.277 442 HB3 LEU 56 HB3 LEU 56 7.619 3.837 -1.499 443 HG LEU 56 HG LEU 56 9.889 2.579 -2.215 444 HD11 LEU 56 HD11 LEU 56 8.098 0.381 -1.079 445 HD12 LEU 56 HD12 LEU 56 9.573 0.135 -2.041 446 HD13 LEU 56 HD13 LEU 56 9.680 0.847 -0.417 447 HD21 LEU 56 HD21 LEU 56 7.051 1.702 -2.890 448 HD22 LEU 56 HD22 LEU 56 7.952 3.032 -3.656 449 HD23 LEU 56 HD23 LEU 56 8.494 1.352 -3.871 450 H SER 57 H SER 57 11.521 2.839 -0.814 451 HA SER 57 HA SER 57 11.586 0.829 1.243 452 HB2 SER 57 HB2 SER 57 13.743 1.854 -0.646 453 HB3 SER 57 HB3 SER 57 13.841 0.367 0.327 454 HG SER 57 HG SER 57 13.088 -0.026 -1.801 455 H ASP 58 H ASP 58 12.605 4.171 1.082 456 HA ASP 58 HA ASP 58 14.404 3.846 3.401 457 HB2 ASP 58 HB2 ASP 58 15.030 5.354 1.534 458 HB3 ASP 58 HB3 ASP 58 13.558 6.305 1.820 459 H TYR 59 H TYR 59 11.097 4.373 2.670 460 HA TYR 59 HA TYR 59 10.486 6.125 4.868 461 HB2 TYR 59 HB2 TYR 59 9.270 5.499 2.568 462 HB3 TYR 59 HB3 TYR 59 8.416 4.368 3.617 463 HD1 TYR 59 HD1 TYR 59 7.755 7.171 2.046 464 HD2 TYR 59 HD2 TYR 59 8.219 5.942 6.139 465 HE1 TYR 59 HE1 TYR 59 6.303 9.046 2.768 466 HE2 TYR 59 HE2 TYR 59 6.756 7.804 6.871 467 HH TYR 59 HH TYR 59 5.479 9.598 6.214 468 H ASN 60 H ASN 60 9.299 2.745 4.299 469 HA ASN 60 HA ASN 60 10.082 1.970 7.015 470 HB2 ASN 60 HB2 ASN 60 7.219 2.524 6.211 471 HB3 ASN 60 HB3 ASN 60 7.599 1.264 7.399 472 HD21 ASN 60 HD21 ASN 60 7.461 5.101 8.578 473 HD22 ASN 60 HD22 ASN 60 6.873 4.524 7.034 474 H ILE 61 H ILE 61 8.823 1.288 3.795 475 HA ILE 61 HA ILE 61 7.974 -1.343 4.039 476 HB ILE 61 HB ILE 61 9.265 0.255 1.833 477 HG12 ILE 61 HG12 ILE 61 7.060 -0.434 0.755 478 HG13 ILE 61 HG13 ILE 61 6.598 -1.157 2.309 479 HG21 ILE 61 HG21 ILE 61 8.956 -1.698 0.319 480 HG22 ILE 61 HG22 ILE 61 10.211 -1.995 1.540 481 HG23 ILE 61 HG23 ILE 61 8.595 -2.718 1.731 482 HD11 ILE 61 HD11 ILE 61 5.770 1.221 1.891 483 HD12 ILE 61 HD12 ILE 61 6.677 0.987 3.407 484 HD13 ILE 61 HD13 ILE 61 7.462 1.746 2.000 485 H GLN 62 H GLN 62 8.868 -3.322 4.217 486 HA GLN 62 HA GLN 62 11.826 -3.563 4.113 487 HB2 GLN 62 HB2 GLN 62 9.941 -4.452 6.325 488 HB3 GLN 62 HB3 GLN 62 11.529 -5.207 6.069 489 HG2 GLN 62 HG2 GLN 62 12.610 -2.978 6.261 490 HG3 GLN 62 HG3 GLN 62 11.024 -2.254 6.592 491 HE21 GLN 62 HE21 GLN 62 12.583 -2.813 9.902 492 HE22 GLN 62 HE22 GLN 62 12.800 -1.775 8.509 493 H LYS 63 H LYS 63 12.426 -5.962 4.007 494 HA LYS 63 HA LYS 63 11.071 -7.131 1.793 495 HB2 LYS 63 HB2 LYS 63 12.637 -9.017 2.168 496 HB3 LYS 63 HB3 LYS 63 13.452 -7.441 2.167 497 HG2 LYS 63 HG2 LYS 63 13.423 -7.439 4.657 498 HG3 LYS 63 HG3 LYS 63 12.668 -9.051 4.634 499 HD2 LYS 63 HD2 LYS 63 14.608 -9.932 3.367 500 HD3 LYS 63 HD3 LYS 63 15.371 -8.326 3.427 501 HE2 LYS 63 HE2 LYS 63 15.365 -8.420 5.899 502 HE3 LYS 63 HE3 LYS 63 14.593 -10.018 5.839 503 HZ1 LYS 63 HZ1 LYS 63 17.233 -9.347 4.739 504 HZ2 LYS 63 HZ2 LYS 63 16.949 -10.190 6.127 505 HZ3 LYS 63 HZ3 LYS 63 16.513 -10.829 4.671 506 H GLU 64 H GLU 64 9.357 -8.434 1.677 507 HA GLU 64 HA GLU 64 7.517 -9.601 2.355 508 HB2 GLU 64 HB2 GLU 64 9.733 -11.033 3.872 509 HB3 GLU 64 HB3 GLU 64 8.089 -11.667 3.634 510 HG2 GLU 64 HG2 GLU 64 9.304 -12.635 1.873 511 HG3 GLU 64 HG3 GLU 64 8.483 -11.259 1.112 512 H SER 65 H SER 65 7.641 -7.201 3.768 513 HA SER 65 HA SER 65 7.002 -7.989 6.548 514 HB2 SER 65 HB2 SER 65 8.550 -5.995 5.776 515 HB3 SER 65 HB3 SER 65 7.001 -5.152 5.540 516 HG SER 65 HG SER 65 8.165 -6.192 7.882 517 H THR 66 H THR 66 5.062 -6.843 7.518 518 HA THR 66 HA THR 66 2.790 -7.134 5.639 519 HB THR 66 HB THR 66 2.875 -7.008 8.681 520 HG1 THR 66 HG1 THR 66 2.711 -9.235 8.547 521 HG21 THR 66 HG21 THR 66 0.603 -7.997 8.486 522 HG22 THR 66 HG22 THR 66 0.693 -6.395 7.718 523 HG23 THR 66 HG23 THR 66 0.710 -7.864 6.716 524 H LEU 67 H LEU 67 1.789 -5.350 4.889 525 HA LEU 67 HA LEU 67 2.271 -2.776 6.297 526 HB2 LEU 67 HB2 LEU 67 1.477 -3.574 3.489 527 HB3 LEU 67 HB3 LEU 67 1.042 -1.971 4.121 528 HG LEU 67 HG LEU 67 3.477 -1.670 4.786 529 HD11 LEU 67 HD11 LEU 67 5.101 -3.066 3.478 530 HD12 LEU 67 HD12 LEU 67 4.213 -4.007 4.695 531 HD13 LEU 67 HD13 LEU 67 3.751 -4.113 2.980 532 HD21 LEU 67 HD21 LEU 67 2.458 -0.601 2.809 533 HD22 LEU 67 HD22 LEU 67 4.142 -1.070 2.478 534 HD23 LEU 67 HD23 LEU 67 2.803 -2.053 1.839 535 H HIS 68 H HIS 68 0.238 -1.276 6.110 536 HA HIS 68 HA HIS 68 -2.187 -2.876 6.760 537 HB2 HIS 68 HB2 HIS 68 -0.983 -1.962 8.780 538 HB3 HIS 68 HB3 HIS 68 -1.295 -0.334 8.161 539 HD1 HIS 68 HD1 HIS 68 -2.770 -2.747 10.451 540 HD2 HIS 68 HD2 HIS 68 -4.172 -0.012 7.581 541 HE1 HIS 68 HE1 HIS 68 -5.251 -2.374 10.949 542 H LEU 69 H LEU 69 -4.005 -2.224 5.714 543 HA LEU 69 HA LEU 69 -3.737 0.219 4.017 544 HB2 LEU 69 HB2 LEU 69 -3.525 -2.050 2.894 545 HB3 LEU 69 HB3 LEU 69 -5.193 -2.378 3.397 546 HG LEU 69 HG LEU 69 -5.814 -0.188 2.211 547 HD11 LEU 69 HD11 LEU 69 -3.066 -0.686 0.980 548 HD12 LEU 69 HD12 LEU 69 -4.249 0.513 0.415 549 HD13 LEU 69 HD13 LEU 69 -3.496 0.694 2.015 550 HD21 LEU 69 HD21 LEU 69 -5.883 -1.315 0.006 551 HD22 LEU 69 HD22 LEU 69 -4.707 -2.519 0.590 552 HD23 LEU 69 HD23 LEU 69 -6.327 -2.422 1.322 553 H ALA 70 H ALA 70 -5.652 1.429 3.619 554 HA ALA 70 HA ALA 70 -7.960 0.756 5.361 555 HB1 ALA 70 HB1 ALA 70 -7.460 3.634 4.885 556 HB2 ALA 70 HB2 ALA 70 -7.915 2.790 6.374 557 HB3 ALA 70 HB3 ALA 70 -6.209 2.827 5.870 558 H LEU 71 H LEU 71 -10.002 1.154 4.459 559 HA LEU 71 HA LEU 71 -9.979 2.072 1.611 560 HB2 LEU 71 HB2 LEU 71 -11.614 -0.157 2.933 561 HB3 LEU 71 HB3 LEU 71 -11.848 0.431 1.289 562 HG LEU 71 HG LEU 71 -10.660 -1.577 1.041 563 HD11 LEU 71 HD11 LEU 71 -9.123 0.901 0.589 564 HD12 LEU 71 HD12 LEU 71 -8.131 -0.577 0.695 565 HD13 LEU 71 HD13 LEU 71 -9.449 -0.460 -0.483 566 HD21 LEU 71 HD21 LEU 71 -9.053 -0.654 3.423 567 HD22 LEU 71 HD22 LEU 71 -9.943 -2.157 3.174 568 HD23 LEU 71 HD23 LEU 71 -8.417 -1.889 2.304 569 H ARG 72 H ARG 72 -12.298 2.575 0.902 570 HA ARG 72 HA ARG 72 -13.457 4.526 2.723 571 HB2 ARG 72 HB2 ARG 72 -15.060 4.830 0.839 572 HB3 ARG 72 HB3 ARG 72 -13.367 4.946 0.309 573 HG2 ARG 72 HG2 ARG 72 -13.406 2.707 -0.584 574 HG3 ARG 72 HG3 ARG 72 -14.981 2.363 0.164 575 HD2 ARG 72 HD2 ARG 72 -14.555 4.558 -1.891 576 HD3 ARG 72 HD3 ARG 72 -15.053 2.907 -2.315 577 HE ARG 72 HE ARG 72 -16.830 3.733 -0.335 578 HH11 ARG 72 HH11 ARG 72 -15.871 4.772 -3.578 579 HH12 ARG 72 HH12 ARG 72 -17.448 5.406 -3.986 580 HH21 ARG 72 HH21 ARG 72 -18.915 4.542 -0.886 581 HH22 ARG 72 HH22 ARG 72 -19.190 5.261 -2.456 582 H LEU 73 H LEU 73 -15.930 4.480 3.024 583 HA LEU 73 HA LEU 73 -16.747 1.824 4.002 584 HB2 LEU 73 HB2 LEU 73 -18.141 4.535 3.978 585 HB3 LEU 73 HB3 LEU 73 -18.755 3.072 4.777 586 HG LEU 73 HG LEU 73 -16.122 4.475 5.420 587 HD11 LEU 73 HD11 LEU 73 -17.255 5.075 7.533 588 HD12 LEU 73 HD12 LEU 73 -18.114 5.749 6.129 589 HD13 LEU 73 HD13 LEU 73 -18.751 4.305 6.952 590 HD21 LEU 73 HD21 LEU 73 -17.527 2.116 6.745 591 HD22 LEU 73 HD22 LEU 73 -16.010 2.041 5.815 592 HD23 LEU 73 HD23 LEU 73 -16.065 2.924 7.355 593 H ARG 74 H ARG 74 -19.094 1.138 3.344 594 HA ARG 74 HA ARG 74 -19.142 0.832 0.504 595 HB2 ARG 74 HB2 ARG 74 -20.154 -0.737 2.196 596 HB3 ARG 74 HB3 ARG 74 -21.462 0.447 2.439 597 HG2 ARG 74 HG2 ARG 74 -22.098 0.293 0.085 598 HG3 ARG 74 HG3 ARG 74 -20.671 -0.704 -0.269 599 HD2 ARG 74 HD2 ARG 74 -22.546 -2.191 -0.124 600 HD3 ARG 74 HD3 ARG 74 -21.573 -2.434 1.340 601 HE ARG 74 HE ARG 74 -23.483 -0.492 1.990 602 HH11 ARG 74 HH11 ARG 74 -23.477 -3.838 0.839 603 HH12 ARG 74 HH12 ARG 74 -25.022 -4.225 1.561 604 HH21 ARG 74 HH21 ARG 74 -25.508 -0.998 2.925 605 HH22 ARG 74 HH22 ARG 74 -26.180 -2.607 2.768 606 H GLY 75 H GLY 75 -20.714 3.104 2.763 607 HA2 GLY 75 HA2 GLY 75 -21.346 5.285 2.225 608 HA3 GLY 75 HA3 GLY 75 -21.259 4.892 0.496 609 H GLY 76 H GLY 76 -22.884 2.352 1.871 610 HA2 GLY 76 HA2 GLY 76 -25.439 3.231 2.541 611 HA3 GLY 76 HA3 GLY 76 -25.415 3.100 0.764 Start of MODEL 4 1 H1 MET 1 H MET 1 12.809 -8.910 -0.311 2 HA MET 1 HA MET 1 12.233 -6.693 -1.091 3 HB2 MET 1 HB2 MET 1 13.491 -8.384 -2.569 4 HB3 MET 1 HB3 MET 1 11.977 -8.464 -3.512 5 HG2 MET 1 HG2 MET 1 11.999 -6.047 -3.813 6 HG3 MET 1 HG3 MET 1 13.349 -5.879 -2.688 7 HE1 MET 1 HE1 MET 1 14.843 -4.437 -4.119 8 HE2 MET 1 HE2 MET 1 15.072 -4.671 -5.867 9 HE3 MET 1 HE3 MET 1 13.453 -4.319 -5.222 10 H GLN 2 H GLN 2 9.736 -9.158 -1.553 11 HA GLN 2 HA GLN 2 7.889 -7.158 -2.746 12 HB2 GLN 2 HB2 GLN 2 7.758 -10.151 -2.171 13 HB3 GLN 2 HB3 GLN 2 6.377 -9.210 -2.774 14 HG2 GLN 2 HG2 GLN 2 7.650 -8.554 -4.766 15 HG3 GLN 2 HG3 GLN 2 9.076 -9.425 -4.165 16 HE21 GLN 2 HE21 GLN 2 6.869 -11.473 -6.602 17 HE22 GLN 2 HE22 GLN 2 7.363 -9.797 -6.653 18 H ILE 3 H ILE 3 5.595 -7.250 -1.683 19 HA ILE 3 HA ILE 3 5.934 -7.343 1.266 20 HB ILE 3 HB ILE 3 4.962 -5.074 1.419 21 HG12 ILE 3 HG12 ILE 3 5.321 -5.044 -1.608 22 HG13 ILE 3 HG13 ILE 3 3.754 -5.162 -0.783 23 HG21 ILE 3 HG21 ILE 3 6.982 -3.878 0.752 24 HG22 ILE 3 HG22 ILE 3 7.436 -5.477 1.374 25 HG23 ILE 3 HG23 ILE 3 7.421 -5.177 -0.379 26 HD11 ILE 3 HD11 ILE 3 4.501 -2.825 -1.581 27 HD12 ILE 3 HD12 ILE 3 3.942 -2.955 0.109 28 HD13 ILE 3 HD13 ILE 3 5.678 -2.868 -0.264 29 H PHE 4 H PHE 4 3.714 -6.661 2.302 30 HA PHE 4 HA PHE 4 1.515 -7.934 0.757 31 HB2 PHE 4 HB2 PHE 4 2.348 -8.429 3.636 32 HB3 PHE 4 HB3 PHE 4 0.837 -9.003 2.918 33 HD1 PHE 4 HD1 PHE 4 0.828 -10.779 1.226 34 HD2 PHE 4 HD2 PHE 4 4.481 -9.456 3.062 35 HE1 PHE 4 HE1 PHE 4 1.984 -12.803 0.384 36 HE2 PHE 4 HE2 PHE 4 5.639 -11.478 2.211 37 HZ PHE 4 HZ PHE 4 4.391 -13.150 0.868 38 H VAL 5 H VAL 5 0.075 -6.358 0.416 39 HA VAL 5 HA VAL 5 -0.286 -4.257 2.485 40 HB VAL 5 HB VAL 5 -1.320 -4.467 -0.379 41 HG11 VAL 5 HG11 VAL 5 -1.874 -2.063 -0.032 42 HG12 VAL 5 HG12 VAL 5 -2.771 -3.119 1.084 43 HG13 VAL 5 HG13 VAL 5 -1.358 -2.204 1.664 44 HG21 VAL 5 HG21 VAL 5 0.350 -2.700 -0.851 45 HG22 VAL 5 HG22 VAL 5 0.933 -2.802 0.826 46 HG23 VAL 5 HG23 VAL 5 1.137 -4.187 -0.275 47 H LYS 6 H LYS 6 -1.767 -4.831 4.005 48 HA LYS 6 HA LYS 6 -3.822 -6.789 3.188 49 HB2 LYS 6 HB2 LYS 6 -2.234 -7.218 5.095 50 HB3 LYS 6 HB3 LYS 6 -3.024 -5.894 5.985 51 HG2 LYS 6 HG2 LYS 6 -5.133 -7.050 5.977 52 HG3 LYS 6 HG3 LYS 6 -4.544 -8.240 4.788 53 HD2 LYS 6 HD2 LYS 6 -2.844 -8.990 6.485 54 HD3 LYS 6 HD3 LYS 6 -3.639 -7.931 7.678 55 HE2 LYS 6 HE2 LYS 6 -5.754 -9.127 7.358 56 HE3 LYS 6 HE3 LYS 6 -5.032 -10.136 6.089 57 HZ1 LYS 6 HZ1 LYS 6 -3.932 -10.061 8.796 58 HZ2 LYS 6 HZ2 LYS 6 -5.173 -11.081 8.390 59 HZ3 LYS 6 HZ3 LYS 6 -3.716 -11.197 7.630 60 H THR 7 H THR 7 -5.816 -6.148 2.755 61 HA THR 7 HA THR 7 -6.567 -3.382 2.980 62 HB THR 7 HB THR 7 -8.733 -4.227 2.092 63 HG1 THR 7 HG1 THR 7 -8.926 -6.455 1.776 64 HG21 THR 7 HG21 THR 7 -7.842 -5.172 -0.008 65 HG22 THR 7 HG22 THR 7 -6.833 -3.818 0.549 66 HG23 THR 7 HG23 THR 7 -6.284 -5.494 0.787 67 H ALA 8 H ALA 8 -8.927 -2.951 3.875 68 HA ALA 8 HA ALA 8 -8.875 -3.597 6.728 69 HB1 ALA 8 HB1 ALA 8 -10.831 -2.086 6.803 70 HB2 ALA 8 HB2 ALA 8 -9.473 -1.332 5.934 71 HB3 ALA 8 HB3 ALA 8 -10.844 -2.011 5.025 72 H THR 9 H THR 9 -9.890 -5.199 3.955 73 HA THR 9 HA THR 9 -12.373 -6.257 5.149 74 HB THR 9 HB THR 9 -12.663 -7.305 2.923 75 HG1 THR 9 HG1 THR 9 -11.134 -6.693 1.309 76 HG21 THR 9 HG21 THR 9 -11.898 -4.355 2.810 77 HG22 THR 9 HG22 THR 9 -12.946 -5.207 1.654 78 HG23 THR 9 HG23 THR 9 -13.469 -4.998 3.342 79 H GLY 10 H GLY 10 -9.095 -6.924 5.335 80 HA2 GLY 10 HA2 GLY 10 -8.202 -8.717 6.543 81 HA3 GLY 10 HA3 GLY 10 -9.679 -9.655 6.257 82 H LYS 11 H LYS 11 -8.849 -8.310 3.298 83 HA LYS 11 HA LYS 11 -7.714 -10.872 2.434 84 HB2 LYS 11 HB2 LYS 11 -8.700 -8.439 0.906 85 HB3 LYS 11 HB3 LYS 11 -8.081 -9.931 0.154 86 HG2 LYS 11 HG2 LYS 11 -9.809 -11.242 1.387 87 HG3 LYS 11 HG3 LYS 11 -10.464 -9.727 2.048 88 HD2 LYS 11 HD2 LYS 11 -10.939 -8.926 -0.238 89 HD3 LYS 11 HD3 LYS 11 -10.256 -10.425 -0.913 90 HE2 LYS 11 HE2 LYS 11 -11.963 -11.749 0.281 91 HE3 LYS 11 HE3 LYS 11 -12.635 -10.264 0.984 92 HZ1 LYS 11 HZ1 LYS 11 -12.517 -10.901 -1.881 93 HZ2 LYS 11 HZ2 LYS 11 -13.862 -10.967 -0.931 94 HZ3 LYS 11 HZ3 LYS 11 -13.133 -9.518 -1.230 95 H THR 12 H THR 12 -5.647 -11.237 2.313 96 HA THR 12 HA THR 12 -3.639 -9.153 2.480 97 HB THR 12 HB THR 12 -3.348 -12.105 1.789 98 HG1 THR 12 HG1 THR 12 -3.152 -12.355 4.065 99 HG21 THR 12 HG21 THR 12 -1.493 -10.215 3.288 100 HG22 THR 12 HG22 THR 12 -1.150 -11.888 2.802 101 HG23 THR 12 HG23 THR 12 -1.328 -10.626 1.562 102 H ILE 13 H ILE 13 -2.348 -8.350 0.830 103 HA ILE 13 HA ILE 13 -2.796 -9.454 -1.888 104 HB ILE 13 HB ILE 13 -2.661 -6.491 -1.226 105 HG12 ILE 13 HG12 ILE 13 -5.045 -8.217 -2.028 106 HG13 ILE 13 HG13 ILE 13 -4.767 -7.530 -0.413 107 HG21 ILE 13 HG21 ILE 13 -1.767 -7.189 -3.447 108 HG22 ILE 13 HG22 ILE 13 -3.313 -7.996 -3.798 109 HG23 ILE 13 HG23 ILE 13 -3.252 -6.228 -3.600 110 HD11 ILE 13 HD11 ILE 13 -5.162 -5.953 -2.989 111 HD12 ILE 13 HD12 ILE 13 -6.325 -6.113 -1.657 112 HD13 ILE 13 HD13 ILE 13 -4.794 -5.243 -1.398 113 H THR 14 H THR 14 -0.880 -10.333 -2.399 114 HA THR 14 HA THR 14 1.654 -9.365 -1.411 115 HB THR 14 HB THR 14 1.046 -11.173 -3.786 116 HG1 THR 14 HG1 THR 14 1.301 -12.825 -2.205 117 HG21 THR 14 HG21 THR 14 3.380 -10.361 -3.635 118 HG22 THR 14 HG22 THR 14 3.464 -10.912 -1.945 119 HG23 THR 14 HG23 THR 14 3.285 -12.097 -3.260 120 H LEU 15 H LEU 15 2.849 -7.653 -2.225 121 HA LEU 15 HA LEU 15 2.094 -6.746 -4.958 122 HB2 LEU 15 HB2 LEU 15 1.319 -5.371 -2.833 123 HB3 LEU 15 HB3 LEU 15 3.006 -4.815 -2.839 124 HG LEU 15 HG LEU 15 2.679 -4.202 -5.293 125 HD11 LEU 15 HD11 LEU 15 0.292 -3.927 -6.011 126 HD12 LEU 15 HD12 LEU 15 0.734 -5.630 -5.772 127 HD13 LEU 15 HD13 LEU 15 -0.222 -4.776 -4.538 128 HD21 LEU 15 HD21 LEU 15 0.861 -2.885 -3.232 129 HD22 LEU 15 HD22 LEU 15 2.589 -2.535 -3.486 130 HD23 LEU 15 HD23 LEU 15 1.407 -2.144 -4.755 131 H GLU 16 H GLU 16 3.795 -5.634 -6.138 132 HA GLU 16 HA GLU 16 6.528 -6.065 -5.078 133 HB2 GLU 16 HB2 GLU 16 5.936 -8.032 -6.433 134 HB3 GLU 16 HB3 GLU 16 5.506 -6.975 -7.797 135 HG2 GLU 16 HG2 GLU 16 7.812 -6.144 -7.915 136 HG3 GLU 16 HG3 GLU 16 8.253 -7.099 -6.485 137 H VAL 17 H VAL 17 7.315 -4.017 -5.001 138 HA VAL 17 HA VAL 17 7.053 -2.393 -7.481 139 HB VAL 17 HB VAL 17 6.898 -0.372 -6.056 140 HG11 VAL 17 HG11 VAL 17 4.564 -0.680 -5.365 141 HG12 VAL 17 HG12 VAL 17 4.850 -1.491 -6.923 142 HG13 VAL 17 HG13 VAL 17 4.756 -2.448 -5.426 143 HG21 VAL 17 HG21 VAL 17 6.397 -0.619 -3.649 144 HG22 VAL 17 HG22 VAL 17 6.605 -2.380 -3.777 145 HG23 VAL 17 HG23 VAL 17 7.994 -1.298 -4.034 146 H GLU 18 H GLU 18 8.835 -0.701 -7.601 147 HA GLU 18 HA GLU 18 11.357 -1.953 -6.787 148 HB2 GLU 18 HB2 GLU 18 10.736 0.586 -8.362 149 HB3 GLU 18 HB3 GLU 18 12.355 -0.074 -8.076 150 HG2 GLU 18 HG2 GLU 18 10.129 -1.207 -9.762 151 HG3 GLU 18 HG3 GLU 18 11.829 -0.936 -10.188 152 HA PRO 19 HA PRO 19 12.133 0.216 -3.130 153 HB2 PRO 19 HB2 PRO 19 14.792 1.021 -4.264 154 HB3 PRO 19 HB3 PRO 19 14.427 0.180 -2.722 155 HG2 PRO 19 HG2 PRO 19 15.403 -1.158 -4.902 156 HG3 PRO 19 HG3 PRO 19 14.201 -1.901 -3.795 157 HD2 PRO 19 HD2 PRO 19 13.780 -0.723 -6.525 158 HD3 PRO 19 HD3 PRO 19 12.953 -2.100 -5.735 159 H SER 20 H SER 20 12.436 1.896 -6.195 160 HA SER 20 HA SER 20 12.170 4.490 -4.754 161 HB2 SER 20 HB2 SER 20 13.724 3.904 -7.301 162 HB3 SER 20 HB3 SER 20 13.526 5.500 -6.539 163 HG SER 20 HG SER 20 14.741 3.204 -5.389 164 H ASP 21 H ASP 21 10.120 2.574 -5.958 165 HA ASP 21 HA ASP 21 9.132 4.055 -8.305 166 HB2 ASP 21 HB2 ASP 21 8.314 1.609 -6.747 167 HB3 ASP 21 HB3 ASP 21 7.090 2.459 -7.702 168 H THR 22 H THR 22 9.154 4.502 -4.972 169 HA THR 22 HA THR 22 8.177 6.124 -3.701 170 HB THR 22 HB THR 22 6.328 6.747 -6.025 171 HG1 THR 22 HG1 THR 22 8.448 6.830 -6.761 172 HG21 THR 22 HG21 THR 22 7.499 8.719 -4.078 173 HG22 THR 22 HG22 THR 22 5.994 8.810 -5.004 174 HG23 THR 22 HG23 THR 22 6.090 7.732 -3.593 175 H ILE 23 H ILE 23 6.348 6.273 -2.295 176 HA ILE 23 HA ILE 23 4.850 3.921 -1.909 177 HB ILE 23 HB ILE 23 4.381 6.806 -1.068 178 HG12 ILE 23 HG12 ILE 23 6.452 5.631 -0.244 179 HG13 ILE 23 HG13 ILE 23 5.335 6.130 1.041 180 HG21 ILE 23 HG21 ILE 23 2.897 5.761 0.704 181 HG22 ILE 23 HG22 ILE 23 2.235 5.719 -0.947 182 HG23 ILE 23 HG23 ILE 23 2.952 4.254 -0.238 183 HD11 ILE 23 HD11 ILE 23 6.200 3.831 1.402 184 HD12 ILE 23 HD12 ILE 23 4.436 3.850 1.196 185 HD13 ILE 23 HD13 ILE 23 5.482 3.325 -0.144 186 H GLU 24 H GLU 24 4.306 6.715 -3.998 187 HA GLU 24 HA GLU 24 1.527 6.503 -4.364 188 HB2 GLU 24 HB2 GLU 24 2.910 8.397 -5.112 189 HB3 GLU 24 HB3 GLU 24 3.688 7.362 -6.329 190 HG2 GLU 24 HG2 GLU 24 1.576 7.030 -7.482 191 HG3 GLU 24 HG3 GLU 24 0.688 7.858 -6.187 192 H ASN 25 H ASN 25 4.215 4.640 -5.813 193 HA ASN 25 HA ASN 25 2.601 3.477 -7.876 194 HB2 ASN 25 HB2 ASN 25 5.107 3.649 -7.855 195 HB3 ASN 25 HB3 ASN 25 5.137 2.384 -6.608 196 HD21 ASN 25 HD21 ASN 25 4.312 1.498 -10.562 197 HD22 ASN 25 HD22 ASN 25 4.398 3.150 -9.990 198 H VAL 26 H VAL 26 3.209 2.697 -4.470 199 HA VAL 26 HA VAL 26 2.364 -0.012 -4.545 200 HB VAL 26 HB VAL 26 2.131 2.053 -2.315 201 HG11 VAL 26 HG11 VAL 26 0.773 0.005 -1.931 202 HG12 VAL 26 HG12 VAL 26 2.219 -0.991 -2.216 203 HG13 VAL 26 HG13 VAL 26 2.156 0.101 -0.816 204 HG21 VAL 26 HG21 VAL 26 4.435 1.826 -3.185 205 HG22 VAL 26 HG22 VAL 26 4.295 1.110 -1.564 206 HG23 VAL 26 HG23 VAL 26 4.333 0.059 -2.999 207 H LYS 27 H LYS 27 0.610 3.069 -4.505 208 HA LYS 27 HA LYS 27 -1.969 1.791 -4.007 209 HB2 LYS 27 HB2 LYS 27 -1.212 4.597 -4.929 210 HB3 LYS 27 HB3 LYS 27 -2.840 4.072 -4.445 211 HG2 LYS 27 HG2 LYS 27 -1.946 3.454 -2.198 212 HG3 LYS 27 HG3 LYS 27 -0.353 4.081 -2.679 213 HD2 LYS 27 HD2 LYS 27 -2.937 5.703 -2.627 214 HD3 LYS 27 HD3 LYS 27 -1.678 5.745 -1.372 215 HE2 LYS 27 HE2 LYS 27 -0.024 6.495 -3.056 216 HE3 LYS 27 HE3 LYS 27 -1.284 6.465 -4.307 217 HZ1 LYS 27 HZ1 LYS 27 -1.303 8.154 -1.903 218 HZ2 LYS 27 HZ2 LYS 27 -0.957 8.655 -3.436 219 HZ3 LYS 27 HZ3 LYS 27 -2.472 8.121 -3.064 220 H ALA 28 H ALA 28 0.024 2.769 -6.775 221 HA ALA 28 HA ALA 28 -2.131 2.719 -8.676 222 HB1 ALA 28 HB1 ALA 28 -0.397 3.017 -10.312 223 HB2 ALA 28 HB2 ALA 28 0.060 3.967 -8.884 224 HB3 ALA 28 HB3 ALA 28 0.849 2.401 -9.194 225 H LYS 29 H LYS 29 0.264 0.321 -7.516 226 HA LYS 29 HA LYS 29 -0.346 -1.625 -9.545 227 HB2 LYS 29 HB2 LYS 29 0.881 -1.814 -6.769 228 HB3 LYS 29 HB3 LYS 29 0.780 -3.183 -7.896 229 HG2 LYS 29 HG2 LYS 29 2.119 -0.547 -8.616 230 HG3 LYS 29 HG3 LYS 29 2.985 -1.924 -7.899 231 HD2 LYS 29 HD2 LYS 29 2.163 -3.367 -9.774 232 HD3 LYS 29 HD3 LYS 29 1.464 -1.918 -10.537 233 HE2 LYS 29 HE2 LYS 29 3.676 -0.877 -10.654 234 HE3 LYS 29 HE3 LYS 29 4.399 -2.244 -9.781 235 HZ1 LYS 29 HZ1 LYS 29 3.871 -3.655 -11.582 236 HZ2 LYS 29 HZ2 LYS 29 3.053 -2.464 -12.383 237 HZ3 LYS 29 HZ3 LYS 29 4.688 -2.356 -12.174 238 H ILE 30 H ILE 30 -1.848 -0.656 -6.505 239 HA ILE 30 HA ILE 30 -3.457 -3.120 -6.414 240 HB ILE 30 HB ILE 30 -3.359 -0.632 -4.654 241 HG12 ILE 30 HG12 ILE 30 -2.435 -3.502 -4.165 242 HG13 ILE 30 HG13 ILE 30 -1.363 -2.176 -4.664 243 HG21 ILE 30 HG21 ILE 30 -4.535 -2.719 -3.227 244 HG22 ILE 30 HG22 ILE 30 -5.415 -1.353 -3.972 245 HG23 ILE 30 HG23 ILE 30 -5.248 -2.900 -4.832 246 HD11 ILE 30 HD11 ILE 30 -1.112 -1.687 -2.480 247 HD12 ILE 30 HD12 ILE 30 -2.785 -1.101 -2.508 248 HD13 ILE 30 HD13 ILE 30 -2.446 -2.777 -2.013 249 H GLN 31 H GLN 31 -3.620 0.163 -7.652 250 HA GLN 31 HA GLN 31 -6.448 0.455 -7.672 251 HB2 GLN 31 HB2 GLN 31 -4.772 2.268 -8.134 252 HB3 GLN 31 HB3 GLN 31 -4.418 1.490 -9.694 253 HG2 GLN 31 HG2 GLN 31 -6.864 1.693 -10.269 254 HG3 GLN 31 HG3 GLN 31 -7.095 2.617 -8.774 255 HE21 GLN 31 HE21 GLN 31 -6.413 4.787 -11.896 256 HE22 GLN 31 HE22 GLN 31 -7.451 3.402 -11.644 257 H ASP 32 H ASP 32 -4.137 -1.158 -9.862 258 HA ASP 32 HA ASP 32 -6.212 -1.826 -11.806 259 HB2 ASP 32 HB2 ASP 32 -3.891 -1.357 -12.483 260 HB3 ASP 32 HB3 ASP 32 -3.320 -2.713 -11.492 261 H LYS 33 H LYS 33 -4.670 -3.295 -8.975 262 HA LYS 33 HA LYS 33 -5.483 -5.975 -9.703 263 HB2 LYS 33 HB2 LYS 33 -3.440 -5.379 -8.355 264 HB3 LYS 33 HB3 LYS 33 -4.516 -4.900 -7.026 265 HG2 LYS 33 HG2 LYS 33 -3.745 -7.185 -6.659 266 HG3 LYS 33 HG3 LYS 33 -5.482 -7.215 -7.030 267 HD2 LYS 33 HD2 LYS 33 -4.999 -7.838 -9.360 268 HD3 LYS 33 HD3 LYS 33 -3.251 -7.707 -9.053 269 HE2 LYS 33 HE2 LYS 33 -3.401 -9.512 -7.380 270 HE3 LYS 33 HE3 LYS 33 -5.152 -9.626 -7.647 271 HZ1 LYS 33 HZ1 LYS 33 -3.970 -11.280 -8.880 272 HZ2 LYS 33 HZ2 LYS 33 -4.700 -10.229 -9.917 273 HZ3 LYS 33 HZ3 LYS 33 -3.074 -10.135 -9.660 274 H GLU 34 H GLU 34 -6.567 -3.545 -7.259 275 HA GLU 34 HA GLU 34 -8.847 -5.325 -6.627 276 HB2 GLU 34 HB2 GLU 34 -7.303 -4.323 -4.852 277 HB3 GLU 34 HB3 GLU 34 -8.030 -2.748 -5.238 278 HG2 GLU 34 HG2 GLU 34 -9.163 -3.830 -3.318 279 HG3 GLU 34 HG3 GLU 34 -10.268 -3.650 -4.693 280 H GLY 35 H GLY 35 -8.035 -2.537 -8.487 281 HA2 GLY 35 HA2 GLY 35 -9.412 -1.446 -9.995 282 HA3 GLY 35 HA3 GLY 35 -10.816 -2.274 -9.300 283 H ILE 36 H ILE 36 -9.356 -1.111 -6.605 284 HA ILE 36 HA ILE 36 -11.272 1.015 -6.312 285 HB ILE 36 HB ILE 36 -8.861 0.265 -4.615 286 HG12 ILE 36 HG12 ILE 36 -11.799 -0.527 -4.383 287 HG13 ILE 36 HG13 ILE 36 -10.506 -1.580 -4.994 288 HG21 ILE 36 HG21 ILE 36 -11.376 1.868 -3.964 289 HG22 ILE 36 HG22 ILE 36 -10.068 1.464 -2.827 290 HG23 ILE 36 HG23 ILE 36 -9.749 2.551 -4.193 291 HD11 ILE 36 HD11 ILE 36 -9.316 -1.352 -2.815 292 HD12 ILE 36 HD12 ILE 36 -10.672 -0.377 -2.199 293 HD13 ILE 36 HD13 ILE 36 -10.929 -2.080 -2.637 294 HA PRO 37 HA PRO 37 -8.829 4.047 -8.470 295 HB2 PRO 37 HB2 PRO 37 -10.741 5.925 -7.143 296 HB3 PRO 37 HB3 PRO 37 -10.326 5.772 -8.881 297 HG2 PRO 37 HG2 PRO 37 -12.696 4.843 -7.861 298 HG3 PRO 37 HG3 PRO 37 -11.833 4.003 -9.192 299 HD2 PRO 37 HD2 PRO 37 -11.956 3.290 -6.273 300 HD3 PRO 37 HD3 PRO 37 -11.893 2.221 -7.708 301 HA PRO 38 HA PRO 38 -6.134 5.889 -5.537 302 HB2 PRO 38 HB2 PRO 38 -6.554 8.589 -6.734 303 HB3 PRO 38 HB3 PRO 38 -5.036 7.650 -6.571 304 HG2 PRO 38 HG2 PRO 38 -6.338 7.955 -8.976 305 HG3 PRO 38 HG3 PRO 38 -5.432 6.467 -8.549 306 HD2 PRO 38 HD2 PRO 38 -8.395 6.942 -8.546 307 HD3 PRO 38 HD3 PRO 38 -7.478 5.452 -8.923 308 H ASP 39 H ASP 39 -5.942 7.524 -3.790 309 HA ASP 39 HA ASP 39 -6.661 8.840 -2.108 310 HB2 ASP 39 HB2 ASP 39 -7.577 10.254 -3.965 311 HB3 ASP 39 HB3 ASP 39 -9.136 9.427 -3.762 312 H GLN 40 H GLN 40 -9.210 6.721 -3.485 313 HA GLN 40 HA GLN 40 -10.727 6.549 -1.068 314 HB2 GLN 40 HB2 GLN 40 -10.466 4.744 -3.502 315 HB3 GLN 40 HB3 GLN 40 -11.627 4.457 -2.183 316 HG2 GLN 40 HG2 GLN 40 -12.620 6.678 -2.537 317 HG3 GLN 40 HG3 GLN 40 -11.439 7.022 -3.816 318 HE21 GLN 40 HE21 GLN 40 -13.703 5.850 -6.220 319 HE22 GLN 40 HE22 GLN 40 -12.620 7.109 -5.668 320 H GLN 41 H GLN 41 -7.679 5.244 -2.063 321 HA GLN 41 HA GLN 41 -7.701 3.470 0.323 322 HB2 GLN 41 HB2 GLN 41 -6.069 2.069 -0.807 323 HB3 GLN 41 HB3 GLN 41 -7.507 2.245 -1.836 324 HG2 GLN 41 HG2 GLN 41 -6.344 4.048 -3.108 325 HG3 GLN 41 HG3 GLN 41 -4.900 3.804 -2.104 326 HE21 GLN 41 HE21 GLN 41 -5.600 1.439 -5.325 327 HE22 GLN 41 HE22 GLN 41 -6.580 2.830 -4.928 328 H ARG 42 H ARG 42 -5.955 3.621 1.734 329 HA ARG 42 HA ARG 42 -3.834 5.604 1.146 330 HB2 ARG 42 HB2 ARG 42 -5.905 5.725 3.343 331 HB3 ARG 42 HB3 ARG 42 -4.285 6.413 3.597 332 HG2 ARG 42 HG2 ARG 42 -4.536 7.998 1.874 333 HG3 ARG 42 HG3 ARG 42 -5.867 7.103 1.109 334 HD2 ARG 42 HD2 ARG 42 -6.079 8.365 3.862 335 HD3 ARG 42 HD3 ARG 42 -6.581 9.173 2.361 336 HE ARG 42 HE ARG 42 -7.792 6.625 2.407 337 HH11 ARG 42 HH11 ARG 42 -7.901 9.703 4.140 338 HH12 ARG 42 HH12 ARG 42 -9.592 9.564 4.559 339 HH21 ARG 42 HH21 ARG 42 -10.018 6.439 2.949 340 HH22 ARG 42 HH22 ARG 42 -10.803 7.693 3.881 341 H LEU 43 H LEU 43 -1.906 5.185 2.251 342 HA LEU 43 HA LEU 43 -1.790 2.423 3.321 343 HB2 LEU 43 HB2 LEU 43 0.119 4.289 1.898 344 HB3 LEU 43 HB3 LEU 43 0.735 2.902 2.821 345 HG LEU 43 HG LEU 43 -1.404 2.643 0.675 346 HD11 LEU 43 HD11 LEU 43 0.403 1.837 -0.786 347 HD12 LEU 43 HD12 LEU 43 0.714 3.512 -0.280 348 HD13 LEU 43 HD13 LEU 43 1.602 2.174 0.487 349 HD21 LEU 43 HD21 LEU 43 -0.715 0.255 0.759 350 HD22 LEU 43 HD22 LEU 43 0.441 0.639 2.055 351 HD23 LEU 43 HD23 LEU 43 -1.307 0.808 2.342 352 H ALA 44 H ALA 44 -0.391 1.923 5.071 353 HA ALA 44 HA ALA 44 0.771 4.024 6.709 354 HB1 ALA 44 HB1 ALA 44 -1.555 2.349 7.744 355 HB2 ALA 44 HB2 ALA 44 -0.540 3.436 8.722 356 HB3 ALA 44 HB3 ALA 44 -1.588 4.103 7.449 357 H PHE 45 H PHE 45 1.760 2.903 8.736 358 HA PHE 45 HA PHE 45 2.327 0.043 8.241 359 HB2 PHE 45 HB2 PHE 45 4.052 1.534 7.113 360 HB3 PHE 45 HB3 PHE 45 4.518 2.086 8.726 361 HD1 PHE 45 HD1 PHE 45 5.069 0.127 10.452 362 HD2 PHE 45 HD2 PHE 45 5.151 -0.271 6.173 363 HE1 PHE 45 HE1 PHE 45 6.543 -1.854 10.664 364 HE2 PHE 45 HE2 PHE 45 6.627 -2.253 6.387 365 HZ PHE 45 HZ PHE 45 7.319 -3.047 8.632 366 H ALA 46 H ALA 46 1.600 -0.845 10.099 367 HA ALA 46 HA ALA 46 1.233 -1.204 12.313 368 HB1 ALA 46 HB1 ALA 46 3.689 -1.448 12.294 369 HB2 ALA 46 HB2 ALA 46 3.862 0.293 12.625 370 HB3 ALA 46 HB3 ALA 46 3.108 -0.772 13.834 371 H GLY 47 H GLY 47 0.410 1.455 10.973 372 HA2 GLY 47 HA2 GLY 47 -1.252 2.845 11.985 373 HA3 GLY 47 HA3 GLY 47 -0.359 2.780 13.516 374 H LYS 48 H LYS 48 2.139 3.102 11.507 375 HA LYS 48 HA LYS 48 2.300 5.989 11.856 376 HB2 LYS 48 HB2 LYS 48 4.142 4.037 10.410 377 HB3 LYS 48 HB3 LYS 48 4.527 5.715 10.851 378 HG2 LYS 48 HG2 LYS 48 4.208 5.141 13.253 379 HG3 LYS 48 HG3 LYS 48 3.877 3.453 12.796 380 HD2 LYS 48 HD2 LYS 48 6.121 3.273 11.785 381 HD3 LYS 48 HD3 LYS 48 6.451 4.974 12.190 382 HE2 LYS 48 HE2 LYS 48 6.138 4.445 14.599 383 HE3 LYS 48 HE3 LYS 48 5.862 2.742 14.179 384 HZ1 LYS 48 HZ1 LYS 48 8.065 2.687 13.248 385 HZ2 LYS 48 HZ2 LYS 48 8.320 4.265 13.656 386 HZ3 LYS 48 HZ3 LYS 48 8.116 3.130 14.836 387 H GLN 49 H GLN 49 1.601 7.474 10.410 388 HA GLN 49 HA GLN 49 0.329 6.653 7.968 389 HB2 GLN 49 HB2 GLN 49 -0.539 8.611 8.934 390 HB3 GLN 49 HB3 GLN 49 1.073 9.273 9.278 391 HG2 GLN 49 HG2 GLN 49 1.479 9.684 6.912 392 HG3 GLN 49 HG3 GLN 49 -0.054 8.898 6.479 393 HE21 GLN 49 HE21 GLN 49 0.026 12.831 7.426 394 HE22 GLN 49 HE22 GLN 49 1.463 11.862 7.185 395 H LEU 50 H LEU 50 1.052 6.713 5.863 396 HA LEU 50 HA LEU 50 3.949 7.305 5.492 397 HB2 LEU 50 HB2 LEU 50 2.045 5.549 3.888 398 HB3 LEU 50 HB3 LEU 50 3.744 5.866 3.472 399 HG LEU 50 HG LEU 50 2.770 4.551 6.052 400 HD11 LEU 50 HD11 LEU 50 4.201 3.429 3.605 401 HD12 LEU 50 HD12 LEU 50 3.812 2.525 5.088 402 HD13 LEU 50 HD13 LEU 50 2.504 3.129 4.046 403 HD21 LEU 50 HD21 LEU 50 5.505 5.307 4.967 404 HD22 LEU 50 HD22 LEU 50 4.809 5.676 6.556 405 HD23 LEU 50 HD23 LEU 50 5.296 4.009 6.176 406 H GLU 51 H GLU 51 4.521 8.418 3.474 407 HA GLU 51 HA GLU 51 2.277 10.066 2.412 408 HB2 GLU 51 HB2 GLU 51 3.608 11.333 4.062 409 HB3 GLU 51 HB3 GLU 51 5.091 10.964 3.158 410 HG2 GLU 51 HG2 GLU 51 4.233 12.175 1.204 411 HG3 GLU 51 HG3 GLU 51 2.696 12.477 2.041 412 H ASP 52 H ASP 52 2.327 10.480 0.213 413 HA ASP 52 HA ASP 52 4.070 8.711 -1.340 414 HB2 ASP 52 HB2 ASP 52 2.646 9.459 -3.221 415 HB3 ASP 52 HB3 ASP 52 1.688 8.833 -1.865 416 H GLY 53 H GLY 53 5.275 9.507 -3.222 417 HA2 GLY 53 HA2 GLY 53 6.374 11.232 -4.419 418 HA3 GLY 53 HA3 GLY 53 6.020 12.369 -3.101 419 H ARG 54 H ARG 54 7.038 9.352 -1.872 420 HA ARG 54 HA ARG 54 9.845 10.312 -1.631 421 HB2 ARG 54 HB2 ARG 54 8.273 10.941 0.289 422 HB3 ARG 54 HB3 ARG 54 8.164 9.209 0.649 423 HG2 ARG 54 HG2 ARG 54 10.598 9.120 1.031 424 HG3 ARG 54 HG3 ARG 54 10.743 10.835 0.559 425 HD2 ARG 54 HD2 ARG 54 9.091 11.393 2.384 426 HD3 ARG 54 HD3 ARG 54 9.185 9.706 2.921 427 HE ARG 54 HE ARG 54 11.802 10.435 2.933 428 HH11 ARG 54 HH11 ARG 54 8.882 12.005 4.166 429 HH12 ARG 54 HH12 ARG 54 9.692 12.763 5.518 430 HH21 ARG 54 HH21 ARG 54 12.874 11.445 4.709 431 HH22 ARG 54 HH22 ARG 54 11.980 12.468 5.809 432 H THR 55 H THR 55 11.379 8.620 -1.091 433 HA THR 55 HA THR 55 10.959 6.163 -2.448 434 HB THR 55 HB THR 55 12.985 6.914 -0.301 435 HG1 THR 55 HG1 THR 55 14.257 7.366 -2.188 436 HG21 THR 55 HG21 THR 55 13.809 5.074 -2.436 437 HG22 THR 55 HG22 THR 55 14.015 4.941 -0.681 438 HG23 THR 55 HG23 THR 55 12.491 4.413 -1.429 439 H LEU 56 H LEU 56 9.727 4.481 -1.853 440 HA LEU 56 HA LEU 56 8.522 4.380 0.732 441 HB2 LEU 56 HB2 LEU 56 7.500 2.303 -0.107 442 HB3 LEU 56 HB3 LEU 56 7.430 3.601 -1.312 443 HG LEU 56 HG LEU 56 9.756 2.476 -2.087 444 HD11 LEU 56 HD11 LEU 56 9.656 0.719 -0.307 445 HD12 LEU 56 HD12 LEU 56 8.093 0.178 -0.958 446 HD13 LEU 56 HD13 LEU 56 9.568 0.019 -1.938 447 HD21 LEU 56 HD21 LEU 56 6.953 1.474 -2.741 448 HD22 LEU 56 HD22 LEU 56 7.780 2.855 -3.496 449 HD23 LEU 56 HD23 LEU 56 8.399 1.207 -3.744 450 H SER 57 H SER 57 11.381 2.756 -0.682 451 HA SER 57 HA SER 57 11.543 0.841 1.479 452 HB2 SER 57 HB2 SER 57 13.522 1.734 -0.653 453 HB3 SER 57 HB3 SER 57 13.806 0.394 0.485 454 HG SER 57 HG SER 57 12.893 -0.299 -1.510 455 H ASP 58 H ASP 58 12.341 4.185 1.183 456 HA ASP 58 HA ASP 58 14.370 4.028 3.333 457 HB2 ASP 58 HB2 ASP 58 14.716 5.537 1.379 458 HB3 ASP 58 HB3 ASP 58 13.230 6.405 1.811 459 H TYR 59 H TYR 59 10.989 4.327 2.832 460 HA TYR 59 HA TYR 59 10.472 6.056 5.090 461 HB2 TYR 59 HB2 TYR 59 9.163 5.448 2.796 462 HB3 TYR 59 HB3 TYR 59 8.297 4.394 3.917 463 HD1 TYR 59 HD1 TYR 59 7.641 7.128 2.293 464 HD2 TYR 59 HD2 TYR 59 8.382 6.102 6.402 465 HE1 TYR 59 HE1 TYR 59 6.349 9.114 3.015 466 HE2 TYR 59 HE2 TYR 59 7.078 8.078 7.136 467 HH TYR 59 HH TYR 59 5.885 9.928 6.478 468 H ASN 60 H ASN 60 9.122 2.763 4.458 469 HA ASN 60 HA ASN 60 9.922 1.885 7.151 470 HB2 ASN 60 HB2 ASN 60 7.087 2.546 6.334 471 HB3 ASN 60 HB3 ASN 60 7.407 1.236 7.485 472 HD21 ASN 60 HD21 ASN 60 7.455 5.066 8.757 473 HD22 ASN 60 HD22 ASN 60 6.907 4.583 7.167 474 H ILE 61 H ILE 61 8.674 1.327 3.912 475 HA ILE 61 HA ILE 61 7.793 -1.322 4.109 476 HB ILE 61 HB ILE 61 9.048 0.328 1.901 477 HG12 ILE 61 HG12 ILE 61 6.758 -0.187 0.905 478 HG13 ILE 61 HG13 ILE 61 6.315 -0.916 2.462 479 HG21 ILE 61 HG21 ILE 61 8.516 -1.583 0.366 480 HG22 ILE 61 HG22 ILE 61 9.841 -1.947 1.492 481 HG23 ILE 61 HG23 ILE 61 8.213 -2.600 1.794 482 HD11 ILE 61 HD11 ILE 61 5.638 1.528 2.133 483 HD12 ILE 61 HD12 ILE 61 6.588 1.199 3.604 484 HD13 ILE 61 HD13 ILE 61 7.365 1.930 2.179 485 H GLN 62 H GLN 62 8.741 -3.290 4.247 486 HA GLN 62 HA GLN 62 11.684 -3.465 3.917 487 HB2 GLN 62 HB2 GLN 62 10.027 -4.351 6.302 488 HB3 GLN 62 HB3 GLN 62 11.596 -5.091 5.912 489 HG2 GLN 62 HG2 GLN 62 12.674 -2.868 5.973 490 HG3 GLN 62 HG3 GLN 62 11.116 -2.123 6.383 491 HE21 GLN 62 HE21 GLN 62 11.457 -2.692 9.820 492 HE22 GLN 62 HE22 GLN 62 10.695 -1.824 8.506 493 H LYS 63 H LYS 63 12.328 -5.850 3.811 494 HA LYS 63 HA LYS 63 10.935 -7.052 1.668 495 HB2 LYS 63 HB2 LYS 63 12.480 -8.963 2.079 496 HB3 LYS 63 HB3 LYS 63 13.306 -7.392 2.025 497 HG2 LYS 63 HG2 LYS 63 13.250 -7.323 4.533 498 HG3 LYS 63 HG3 LYS 63 12.559 -8.964 4.525 499 HD2 LYS 63 HD2 LYS 63 14.537 -9.790 3.290 500 HD3 LYS 63 HD3 LYS 63 15.224 -8.150 3.292 501 HE2 LYS 63 HE2 LYS 63 15.235 -8.156 5.763 502 HE3 LYS 63 HE3 LYS 63 14.553 -9.795 5.766 503 HZ1 LYS 63 HZ1 LYS 63 17.128 -9.041 4.571 504 HZ2 LYS 63 HZ2 LYS 63 16.939 -9.771 6.036 505 HZ3 LYS 63 HZ3 LYS 63 16.503 -10.563 4.657 506 H GLU 64 H GLU 64 9.187 -8.298 1.569 507 HA GLU 64 HA GLU 64 7.313 -9.382 2.258 508 HB2 GLU 64 HB2 GLU 64 9.526 -10.913 3.668 509 HB3 GLU 64 HB3 GLU 64 7.831 -11.450 3.630 510 HG2 GLU 64 HG2 GLU 64 8.807 -12.541 1.791 511 HG3 GLU 64 HG3 GLU 64 7.943 -11.165 1.080 512 H SER 65 H SER 65 7.623 -6.978 3.654 513 HA SER 65 HA SER 65 6.893 -7.688 6.435 514 HB2 SER 65 HB2 SER 65 8.589 -5.814 5.645 515 HB3 SER 65 HB3 SER 65 7.101 -4.868 5.406 516 HG SER 65 HG SER 65 8.195 -5.975 7.750 517 H THR 66 H THR 66 4.981 -6.512 7.365 518 HA THR 66 HA THR 66 2.788 -6.610 5.376 519 HB THR 66 HB THR 66 2.706 -6.707 8.416 520 HG1 THR 66 HG1 THR 66 2.386 -8.947 8.019 521 HG21 THR 66 HG21 THR 66 0.430 -7.602 8.026 522 HG22 THR 66 HG22 THR 66 0.602 -5.970 7.342 523 HG23 THR 66 HG23 THR 66 0.647 -7.392 6.272 524 H LEU 67 H LEU 67 1.855 -4.764 4.712 525 HA LEU 67 HA LEU 67 2.238 -2.322 6.376 526 HB2 LEU 67 HB2 LEU 67 1.770 -2.853 3.455 527 HB3 LEU 67 HB3 LEU 67 1.086 -1.377 4.162 528 HG LEU 67 HG LEU 67 3.361 -0.870 5.145 529 HD11 LEU 67 HD11 LEU 67 4.235 -3.041 3.186 530 HD12 LEU 67 HD12 LEU 67 5.310 -1.964 4.102 531 HD13 LEU 67 HD13 LEU 67 4.318 -3.161 4.960 532 HD21 LEU 67 HD21 LEU 67 2.483 0.228 3.114 533 HD22 LEU 67 HD22 LEU 67 4.241 -0.013 3.001 534 HD23 LEU 67 HD23 LEU 67 3.138 -1.091 2.114 535 H HIS 68 H HIS 68 0.189 -0.815 6.157 536 HA HIS 68 HA HIS 68 -2.215 -2.504 6.643 537 HB2 HIS 68 HB2 HIS 68 -1.051 -1.712 8.728 538 HB3 HIS 68 HB3 HIS 68 -1.356 -0.048 8.211 539 HD1 HIS 68 HD1 HIS 68 -2.790 -2.434 10.463 540 HD2 HIS 68 HD2 HIS 68 -4.269 0.201 7.538 541 HE1 HIS 68 HE1 HIS 68 -5.266 -2.064 10.997 542 H LEU 69 H LEU 69 -3.571 -2.060 5.007 543 HA LEU 69 HA LEU 69 -3.542 0.639 3.797 544 HB2 LEU 69 HB2 LEU 69 -3.340 -1.479 2.425 545 HB3 LEU 69 HB3 LEU 69 -4.979 -1.908 2.950 546 HG LEU 69 HG LEU 69 -5.725 0.358 1.989 547 HD11 LEU 69 HD11 LEU 69 -4.248 1.342 0.284 548 HD12 LEU 69 HD12 LEU 69 -3.423 1.337 1.858 549 HD13 LEU 69 HD13 LEU 69 -3.003 0.121 0.632 550 HD21 LEU 69 HD21 LEU 69 -5.794 -0.530 -0.309 551 HD22 LEU 69 HD22 LEU 69 -4.528 -1.711 0.101 552 HD23 LEU 69 HD23 LEU 69 -6.127 -1.815 0.873 553 H ALA 70 H ALA 70 -5.471 1.862 3.551 554 HA ALA 70 HA ALA 70 -7.773 0.960 5.207 555 HB1 ALA 70 HB1 ALA 70 -7.388 3.877 4.898 556 HB2 ALA 70 HB2 ALA 70 -7.844 2.932 6.323 557 HB3 ALA 70 HB3 ALA 70 -6.128 3.060 5.869 558 H LEU 71 H LEU 71 -9.794 1.237 4.281 559 HA LEU 71 HA LEU 71 -9.814 2.379 1.521 560 HB2 LEU 71 HB2 LEU 71 -11.250 -0.055 2.663 561 HB3 LEU 71 HB3 LEU 71 -11.657 0.695 1.115 562 HG LEU 71 HG LEU 71 -10.283 -1.150 0.597 563 HD11 LEU 71 HD11 LEU 71 -9.731 0.971 -0.596 564 HD12 LEU 71 HD12 LEU 71 -8.440 1.271 0.592 565 HD13 LEU 71 HD13 LEU 71 -8.350 -0.143 -0.478 566 HD21 LEU 71 HD21 LEU 71 -9.353 -1.436 2.913 567 HD22 LEU 71 HD22 LEU 71 -8.165 -1.662 1.610 568 HD23 LEU 71 HD23 LEU 71 -8.175 -0.155 2.544 569 H ARG 72 H ARG 72 -12.202 2.820 0.862 570 HA ARG 72 HA ARG 72 -13.317 4.707 2.727 571 HB2 ARG 72 HB2 ARG 72 -15.127 4.861 1.027 572 HB3 ARG 72 HB3 ARG 72 -13.512 5.012 0.300 573 HG2 ARG 72 HG2 ARG 72 -13.564 2.751 -0.509 574 HG3 ARG 72 HG3 ARG 72 -15.005 2.363 0.459 575 HD2 ARG 72 HD2 ARG 72 -14.968 4.469 -1.735 576 HD3 ARG 72 HD3 ARG 72 -15.465 2.783 -1.992 577 HE ARG 72 HE ARG 72 -17.023 3.498 0.111 578 HH11 ARG 72 HH11 ARG 72 -16.363 5.023 -3.011 579 HH12 ARG 72 HH12 ARG 72 -17.949 5.746 -3.146 580 HH21 ARG 72 HH21 ARG 72 -19.108 4.447 -0.065 581 HH22 ARG 72 HH22 ARG 72 -19.522 5.413 -1.461 582 H LEU 73 H LEU 73 -15.733 4.586 3.291 583 HA LEU 73 HA LEU 73 -16.254 1.993 4.583 584 HB2 LEU 73 HB2 LEU 73 -17.760 4.642 4.583 585 HB3 LEU 73 HB3 LEU 73 -18.193 3.220 5.556 586 HG LEU 73 HG LEU 73 -15.540 4.717 5.714 587 HD11 LEU 73 HD11 LEU 73 -16.386 5.459 7.914 588 HD12 LEU 73 HD12 LEU 73 -17.451 6.014 6.601 589 HD13 LEU 73 HD13 LEU 73 -17.928 4.626 7.607 590 HD21 LEU 73 HD21 LEU 73 -15.219 3.316 7.756 591 HD22 LEU 73 HD22 LEU 73 -16.710 2.432 7.362 592 HD23 LEU 73 HD23 LEU 73 -15.302 2.334 6.278 593 H ARG 74 H ARG 74 -18.573 1.140 4.408 594 HA ARG 74 HA ARG 74 -19.142 0.624 1.641 595 HB2 ARG 74 HB2 ARG 74 -19.550 -0.981 3.501 596 HB3 ARG 74 HB3 ARG 74 -20.834 0.086 4.118 597 HG2 ARG 74 HG2 ARG 74 -22.104 -0.176 2.044 598 HG3 ARG 74 HG3 ARG 74 -20.773 -1.099 1.308 599 HD2 ARG 74 HD2 ARG 74 -22.524 -2.624 2.105 600 HD3 ARG 74 HD3 ARG 74 -21.031 -2.848 3.038 601 HE ARG 74 HE ARG 74 -23.106 -1.033 4.124 602 HH11 ARG 74 HH11 ARG 74 -21.494 -4.179 4.194 603 HH12 ARG 74 HH12 ARG 74 -22.057 -4.585 5.798 604 HH21 ARG 74 HH21 ARG 74 -23.826 -1.546 6.238 605 HH22 ARG 74 HH22 ARG 74 -23.394 -3.074 6.973 606 H GLY 75 H GLY 75 -20.470 2.791 4.138 607 HA2 GLY 75 HA2 GLY 75 -21.370 4.928 3.444 608 HA3 GLY 75 HA3 GLY 75 -22.054 4.141 2.006 609 H GLY 76 H GLY 76 -22.498 1.873 4.330 610 HA2 GLY 76 HA2 GLY 76 -24.391 2.662 6.148 611 HA3 GLY 76 HA3 GLY 76 -25.312 2.495 4.635 Start of MODEL 5 1 H1 MET 1 H MET 1 11.662 -8.096 -1.330 2 HA MET 1 HA MET 1 11.926 -7.878 -4.271 3 HB2 MET 1 HB2 MET 1 12.888 -9.968 -3.312 4 HB3 MET 1 HB3 MET 1 11.296 -10.350 -2.617 5 HG2 MET 1 HG2 MET 1 10.306 -10.290 -4.880 6 HG3 MET 1 HG3 MET 1 11.889 -9.925 -5.575 7 HE1 MET 1 HE1 MET 1 14.037 -11.616 -4.772 8 HE2 MET 1 HE2 MET 1 13.804 -13.147 -5.648 9 HE3 MET 1 HE3 MET 1 13.449 -11.600 -6.452 10 H GLN 2 H GLN 2 9.697 -9.042 -1.668 11 HA GLN 2 HA GLN 2 7.451 -7.856 -3.238 12 HB2 GLN 2 HB2 GLN 2 7.680 -10.560 -1.870 13 HB3 GLN 2 HB3 GLN 2 6.116 -9.823 -2.279 14 HG2 GLN 2 HG2 GLN 2 6.701 -9.746 -4.639 15 HG3 GLN 2 HG3 GLN 2 8.340 -10.333 -4.289 16 HE21 GLN 2 HE21 GLN 2 7.041 -13.524 -5.172 17 HE22 GLN 2 HE22 GLN 2 7.978 -12.154 -5.723 18 H ILE 3 H ILE 3 5.440 -7.740 -1.740 19 HA ILE 3 HA ILE 3 6.112 -7.330 1.092 20 HB ILE 3 HB ILE 3 5.013 -5.121 1.134 21 HG12 ILE 3 HG12 ILE 3 5.110 -5.275 -1.903 22 HG13 ILE 3 HG13 ILE 3 3.634 -5.520 -0.945 23 HG21 ILE 3 HG21 ILE 3 6.867 -3.855 0.175 24 HG22 ILE 3 HG22 ILE 3 7.496 -5.357 0.881 25 HG23 ILE 3 HG23 ILE 3 7.297 -5.219 -0.882 26 HD11 ILE 3 HD11 ILE 3 4.050 -3.155 -1.898 27 HD12 ILE 3 HD12 ILE 3 3.636 -3.269 -0.164 28 HD13 ILE 3 HD13 ILE 3 5.319 -3.008 -0.676 29 H PHE 4 H PHE 4 3.884 -6.715 2.247 30 HA PHE 4 HA PHE 4 1.705 -8.239 0.902 31 HB2 PHE 4 HB2 PHE 4 2.693 -8.493 3.764 32 HB3 PHE 4 HB3 PHE 4 1.191 -9.200 3.154 33 HD1 PHE 4 HD1 PHE 4 1.226 -11.078 1.568 34 HD2 PHE 4 HD2 PHE 4 4.851 -9.446 3.200 35 HE1 PHE 4 HE1 PHE 4 2.465 -13.101 0.840 36 HE2 PHE 4 HE2 PHE 4 6.088 -11.469 2.475 37 HZ PHE 4 HZ PHE 4 4.896 -13.296 1.295 38 H VAL 5 H VAL 5 0.261 -6.642 0.470 39 HA VAL 5 HA VAL 5 -0.255 -4.602 2.564 40 HB VAL 5 HB VAL 5 -1.233 -4.808 -0.318 41 HG11 VAL 5 HG11 VAL 5 -1.863 -2.430 0.046 42 HG12 VAL 5 HG12 VAL 5 -2.731 -3.513 1.158 43 HG13 VAL 5 HG13 VAL 5 -1.345 -2.560 1.742 44 HG21 VAL 5 HG21 VAL 5 0.400 -2.985 -0.738 45 HG22 VAL 5 HG22 VAL 5 0.974 -3.121 0.941 46 HG23 VAL 5 HG23 VAL 5 1.211 -4.471 -0.194 47 H LYS 6 H LYS 6 -2.000 -4.852 3.886 48 HA LYS 6 HA LYS 6 -4.001 -6.887 3.028 49 HB2 LYS 6 HB2 LYS 6 -2.459 -7.519 4.913 50 HB3 LYS 6 HB3 LYS 6 -3.167 -6.196 5.867 51 HG2 LYS 6 HG2 LYS 6 -5.388 -7.218 5.695 52 HG3 LYS 6 HG3 LYS 6 -4.755 -8.469 4.597 53 HD2 LYS 6 HD2 LYS 6 -3.195 -9.215 6.402 54 HD3 LYS 6 HD3 LYS 6 -3.947 -8.037 7.504 55 HE2 LYS 6 HE2 LYS 6 -6.132 -9.141 7.204 56 HE3 LYS 6 HE3 LYS 6 -5.405 -10.293 6.063 57 HZ1 LYS 6 HZ1 LYS 6 -4.003 -11.065 7.830 58 HZ2 LYS 6 HZ2 LYS 6 -4.675 -9.992 8.891 59 HZ3 LYS 6 HZ3 LYS 6 -5.591 -11.205 8.253 60 H THR 7 H THR 7 -5.932 -6.074 2.592 61 HA THR 7 HA THR 7 -6.622 -3.348 3.098 62 HB THR 7 HB THR 7 -8.811 -4.034 2.180 63 HG1 THR 7 HG1 THR 7 -9.132 -6.232 1.745 64 HG21 THR 7 HG21 THR 7 -6.479 -5.395 0.759 65 HG22 THR 7 HG22 THR 7 -8.023 -4.911 0.019 66 HG23 THR 7 HG23 THR 7 -6.904 -3.673 0.624 67 H ALA 8 H ALA 8 -8.870 -2.865 4.146 68 HA ALA 8 HA ALA 8 -8.741 -3.665 6.920 69 HB1 ALA 8 HB1 ALA 8 -10.748 -2.234 7.121 70 HB2 ALA 8 HB2 ALA 8 -9.465 -1.415 6.198 71 HB3 ALA 8 HB3 ALA 8 -10.855 -2.132 5.348 72 H THR 9 H THR 9 -10.092 -5.071 4.082 73 HA THR 9 HA THR 9 -12.260 -6.429 5.536 74 HB THR 9 HB THR 9 -12.651 -7.495 3.289 75 HG1 THR 9 HG1 THR 9 -11.463 -6.557 1.565 76 HG21 THR 9 HG21 THR 9 -12.862 -4.970 2.200 77 HG22 THR 9 HG22 THR 9 -14.039 -5.682 3.340 78 HG23 THR 9 HG23 THR 9 -12.757 -4.599 3.928 79 H GLY 10 H GLY 10 -8.964 -6.723 5.392 80 HA2 GLY 10 HA2 GLY 10 -7.707 -8.402 6.376 81 HA3 GLY 10 HA3 GLY 10 -9.112 -9.486 6.329 82 H LYS 11 H LYS 11 -8.989 -8.208 3.270 83 HA LYS 11 HA LYS 11 -7.943 -10.649 2.141 84 HB2 LYS 11 HB2 LYS 11 -8.619 -7.955 0.890 85 HB3 LYS 11 HB3 LYS 11 -8.245 -9.437 -0.014 86 HG2 LYS 11 HG2 LYS 11 -10.167 -10.578 1.047 87 HG3 LYS 11 HG3 LYS 11 -10.547 -9.096 1.957 88 HD2 LYS 11 HD2 LYS 11 -10.853 -7.871 -0.175 89 HD3 LYS 11 HD3 LYS 11 -10.486 -9.356 -1.082 90 HE2 LYS 11 HE2 LYS 11 -12.430 -10.472 -0.030 91 HE3 LYS 11 HE3 LYS 11 -12.789 -8.991 0.879 92 HZ1 LYS 11 HZ1 LYS 11 -12.803 -9.262 -2.047 93 HZ2 LYS 11 HZ2 LYS 11 -14.129 -9.151 -1.072 94 HZ3 LYS 11 HZ3 LYS 11 -13.104 -7.869 -1.216 95 H THR 12 H THR 12 -5.808 -11.124 2.271 96 HA THR 12 HA THR 12 -3.784 -9.043 2.370 97 HB THR 12 HB THR 12 -3.443 -12.027 1.894 98 HG1 THR 12 HG1 THR 12 -3.334 -12.148 4.152 99 HG21 THR 12 HG21 THR 12 -1.664 -9.892 3.153 100 HG22 THR 12 HG22 THR 12 -1.268 -11.622 3.018 101 HG23 THR 12 HG23 THR 12 -1.431 -10.631 1.551 102 H ILE 13 H ILE 13 -2.445 -8.350 0.727 103 HA ILE 13 HA ILE 13 -2.918 -9.524 -1.964 104 HB ILE 13 HB ILE 13 -2.578 -6.570 -1.329 105 HG12 ILE 13 HG12 ILE 13 -5.097 -8.114 -2.083 106 HG13 ILE 13 HG13 ILE 13 -4.741 -7.445 -0.476 107 HG21 ILE 13 HG21 ILE 13 -3.184 -6.277 -3.693 108 HG22 ILE 13 HG22 ILE 13 -1.771 -7.343 -3.556 109 HG23 ILE 13 HG23 ILE 13 -3.377 -8.036 -3.880 110 HD11 ILE 13 HD11 ILE 13 -5.063 -5.853 -3.054 111 HD12 ILE 13 HD12 ILE 13 -6.205 -5.914 -1.695 112 HD13 ILE 13 HD13 ILE 13 -4.606 -5.165 -1.476 113 H THR 14 H THR 14 -1.031 -10.555 -2.405 114 HA THR 14 HA THR 14 1.522 -9.627 -1.410 115 HB THR 14 HB THR 14 0.916 -11.533 -3.708 116 HG1 THR 14 HG1 THR 14 1.237 -12.044 -0.932 117 HG21 THR 14 HG21 THR 14 3.263 -10.773 -3.544 118 HG22 THR 14 HG22 THR 14 3.294 -11.221 -1.821 119 HG23 THR 14 HG23 THR 14 3.122 -12.481 -3.066 120 H LEU 15 H LEU 15 2.617 -7.893 -2.204 121 HA LEU 15 HA LEU 15 1.938 -7.056 -4.982 122 HB2 LEU 15 HB2 LEU 15 1.155 -5.694 -2.856 123 HB3 LEU 15 HB3 LEU 15 2.838 -5.135 -2.843 124 HG LEU 15 HG LEU 15 2.530 -4.458 -5.273 125 HD11 LEU 15 HD11 LEU 15 0.146 -4.200 -6.014 126 HD12 LEU 15 HD12 LEU 15 0.618 -5.901 -5.818 127 HD13 LEU 15 HD13 LEU 15 -0.369 -5.102 -4.572 128 HD21 LEU 15 HD21 LEU 15 0.653 -3.227 -3.208 129 HD22 LEU 15 HD22 LEU 15 2.378 -2.840 -3.412 130 HD23 LEU 15 HD23 LEU 15 1.218 -2.432 -4.696 131 H GLU 16 H GLU 16 3.634 -5.929 -6.152 132 HA GLU 16 HA GLU 16 6.372 -6.338 -5.092 133 HB2 GLU 16 HB2 GLU 16 5.850 -8.257 -6.545 134 HB3 GLU 16 HB3 GLU 16 5.367 -7.148 -7.850 135 HG2 GLU 16 HG2 GLU 16 7.649 -6.183 -7.870 136 HG3 GLU 16 HG3 GLU 16 8.130 -7.292 -6.571 137 H VAL 17 H VAL 17 7.165 -4.301 -4.962 138 HA VAL 17 HA VAL 17 6.708 -2.521 -7.300 139 HB VAL 17 HB VAL 17 6.506 -0.622 -5.725 140 HG11 VAL 17 HG11 VAL 17 4.501 -2.862 -5.221 141 HG12 VAL 17 HG12 VAL 17 4.215 -1.126 -4.958 142 HG13 VAL 17 HG13 VAL 17 4.483 -1.744 -6.604 143 HG21 VAL 17 HG21 VAL 17 6.106 -1.073 -3.326 144 HG22 VAL 17 HG22 VAL 17 6.402 -2.806 -3.597 145 HG23 VAL 17 HG23 VAL 17 7.721 -1.632 -3.817 146 H GLU 18 H GLU 18 8.356 -0.699 -7.341 147 HA GLU 18 HA GLU 18 10.996 -1.794 -6.663 148 HB2 GLU 18 HB2 GLU 18 10.128 0.781 -8.048 149 HB3 GLU 18 HB3 GLU 18 11.804 0.242 -7.842 150 HG2 GLU 18 HG2 GLU 18 9.638 -0.929 -9.575 151 HG3 GLU 18 HG3 GLU 18 11.300 -0.494 -10.008 152 HA PRO 19 HA PRO 19 11.479 0.218 -2.848 153 HB2 PRO 19 HB2 PRO 19 14.200 1.062 -3.770 154 HB3 PRO 19 HB3 PRO 19 13.741 0.123 -2.313 155 HG2 PRO 19 HG2 PRO 19 14.860 -1.065 -4.514 156 HG3 PRO 19 HG3 PRO 19 13.605 -1.884 -3.527 157 HD2 PRO 19 HD2 PRO 19 13.328 -0.533 -6.193 158 HD3 PRO 19 HD3 PRO 19 12.478 -1.970 -5.543 159 H SER 20 H SER 20 12.047 2.041 -5.817 160 HA SER 20 HA SER 20 11.805 4.567 -4.254 161 HB2 SER 20 HB2 SER 20 13.465 4.019 -6.740 162 HB3 SER 20 HB3 SER 20 13.360 5.564 -5.864 163 HG SER 20 HG SER 20 15.174 4.319 -5.225 164 H ASP 21 H ASP 21 9.731 2.859 -5.790 165 HA ASP 21 HA ASP 21 9.025 4.662 -8.014 166 HB2 ASP 21 HB2 ASP 21 8.005 2.054 -6.912 167 HB3 ASP 21 HB3 ASP 21 6.906 3.072 -7.859 168 H THR 22 H THR 22 8.839 4.846 -4.723 169 HA THR 22 HA THR 22 7.799 6.350 -3.373 170 HB THR 22 HB THR 22 6.102 7.140 -5.772 171 HG1 THR 22 HG1 THR 22 8.294 7.404 -6.206 172 HG21 THR 22 HG21 THR 22 5.919 9.278 -4.522 173 HG22 THR 22 HG22 THR 22 5.208 7.921 -3.624 174 HG23 THR 22 HG23 THR 22 6.811 8.547 -3.166 175 H ILE 23 H ILE 23 5.863 6.508 -2.091 176 HA ILE 23 HA ILE 23 4.535 4.067 -1.723 177 HB ILE 23 HB ILE 23 3.836 6.913 -0.907 178 HG12 ILE 23 HG12 ILE 23 5.979 5.932 -0.045 179 HG13 ILE 23 HG13 ILE 23 4.800 6.290 1.231 180 HG21 ILE 23 HG21 ILE 23 2.420 5.764 0.856 181 HG22 ILE 23 HG22 ILE 23 1.779 5.662 -0.802 182 HG23 ILE 23 HG23 ILE 23 2.600 4.261 -0.077 183 HD11 ILE 23 HD11 ILE 23 5.873 4.085 1.572 184 HD12 ILE 23 HD12 ILE 23 4.123 3.926 1.312 185 HD13 ILE 23 HD13 ILE 23 5.256 3.541 -0.004 186 H GLU 24 H GLU 24 3.695 6.832 -3.809 187 HA GLU 24 HA GLU 24 0.962 6.238 -4.132 188 HB2 GLU 24 HB2 GLU 24 2.072 8.327 -4.864 189 HB3 GLU 24 HB3 GLU 24 2.869 7.430 -6.180 190 HG2 GLU 24 HG2 GLU 24 0.738 6.879 -7.182 191 HG3 GLU 24 HG3 GLU 24 -0.145 7.477 -5.763 192 H ASN 25 H ASN 25 3.848 4.756 -5.568 193 HA ASN 25 HA ASN 25 2.480 3.374 -7.656 194 HB2 ASN 25 HB2 ASN 25 4.908 3.779 -7.595 195 HB3 ASN 25 HB3 ASN 25 5.059 2.705 -6.197 196 HD21 ASN 25 HD21 ASN 25 4.520 1.184 -10.003 197 HD22 ASN 25 HD22 ASN 25 4.182 2.868 -9.667 198 H VAL 26 H VAL 26 2.891 2.729 -4.185 199 HA VAL 26 HA VAL 26 2.247 -0.058 -4.297 200 HB VAL 26 HB VAL 26 1.748 1.980 -2.084 201 HG11 VAL 26 HG11 VAL 26 0.510 -0.136 -1.781 202 HG12 VAL 26 HG12 VAL 26 2.013 -1.055 -2.034 203 HG13 VAL 26 HG13 VAL 26 1.839 -0.006 -0.607 204 HG21 VAL 26 HG21 VAL 26 4.132 0.166 -2.640 205 HG22 VAL 26 HG22 VAL 26 4.113 1.942 -2.758 206 HG23 VAL 26 HG23 VAL 26 3.909 1.154 -1.178 207 H LYS 27 H LYS 27 0.369 2.935 -4.378 208 HA LYS 27 HA LYS 27 -2.186 1.580 -3.979 209 HB2 LYS 27 HB2 LYS 27 -1.470 4.399 -4.896 210 HB3 LYS 27 HB3 LYS 27 -3.106 3.831 -4.497 211 HG2 LYS 27 HG2 LYS 27 -2.332 3.261 -2.201 212 HG3 LYS 27 HG3 LYS 27 -0.725 3.910 -2.593 213 HD2 LYS 27 HD2 LYS 27 -3.320 5.507 -2.741 214 HD3 LYS 27 HD3 LYS 27 -2.187 5.543 -1.370 215 HE2 LYS 27 HE2 LYS 27 -0.376 6.294 -2.906 216 HE3 LYS 27 HE3 LYS 27 -1.541 6.297 -4.246 217 HZ1 LYS 27 HZ1 LYS 27 -2.840 7.846 -2.726 218 HZ2 LYS 27 HZ2 LYS 27 -1.419 8.059 -1.931 219 HZ3 LYS 27 HZ3 LYS 27 -1.524 8.451 -3.528 220 H ALA 28 H ALA 28 -0.103 2.564 -6.676 221 HA ALA 28 HA ALA 28 -2.177 2.443 -8.663 222 HB1 ALA 28 HB1 ALA 28 -0.114 3.780 -8.907 223 HB2 ALA 28 HB2 ALA 28 0.853 2.285 -8.914 224 HB3 ALA 28 HB3 ALA 28 -0.290 2.612 -10.238 225 H LYS 29 H LYS 29 0.259 0.107 -7.425 226 HA LYS 29 HA LYS 29 -0.301 -1.851 -9.457 227 HB2 LYS 29 HB2 LYS 29 1.026 -1.952 -6.731 228 HB3 LYS 29 HB3 LYS 29 0.865 -3.385 -7.769 229 HG2 LYS 29 HG2 LYS 29 2.160 -0.798 -8.716 230 HG3 LYS 29 HG3 LYS 29 3.063 -2.144 -7.984 231 HD2 LYS 29 HD2 LYS 29 2.071 -3.678 -9.712 232 HD3 LYS 29 HD3 LYS 29 1.386 -2.251 -10.522 233 HE2 LYS 29 HE2 LYS 29 3.623 -1.318 -10.843 234 HE3 LYS 29 HE3 LYS 29 4.346 -2.645 -9.911 235 HZ1 LYS 29 HZ1 LYS 29 3.677 -4.163 -11.567 236 HZ2 LYS 29 HZ2 LYS 29 2.836 -3.013 -12.403 237 HZ3 LYS 29 HZ3 LYS 29 4.481 -2.935 -12.312 238 H ILE 30 H ILE 30 -1.973 -0.870 -6.549 239 HA ILE 30 HA ILE 30 -3.412 -3.445 -6.415 240 HB ILE 30 HB ILE 30 -3.557 -0.891 -4.767 241 HG12 ILE 30 HG12 ILE 30 -2.592 -3.708 -4.084 242 HG13 ILE 30 HG13 ILE 30 -1.525 -2.364 -4.542 243 HG21 ILE 30 HG21 ILE 30 -5.032 -3.547 -4.472 244 HG22 ILE 30 HG22 ILE 30 -5.009 -2.254 -3.251 245 HG23 ILE 30 HG23 ILE 30 -5.768 -1.967 -4.832 246 HD11 ILE 30 HD11 ILE 30 -1.469 -1.801 -2.362 247 HD12 ILE 30 HD12 ILE 30 -3.149 -1.265 -2.549 248 HD13 ILE 30 HD13 ILE 30 -2.810 -2.912 -1.969 249 H GLN 31 H GLN 31 -3.671 -0.247 -7.819 250 HA GLN 31 HA GLN 31 -6.509 -0.163 -8.144 251 HB2 GLN 31 HB2 GLN 31 -5.012 1.786 -8.471 252 HB3 GLN 31 HB3 GLN 31 -4.287 0.988 -9.884 253 HG2 GLN 31 HG2 GLN 31 -6.513 0.934 -10.983 254 HG3 GLN 31 HG3 GLN 31 -7.221 1.759 -9.579 255 HE21 GLN 31 HE21 GLN 31 -4.529 3.850 -11.979 256 HE22 GLN 31 HE22 GLN 31 -4.340 2.130 -11.725 257 H ASP 32 H ASP 32 -3.864 -1.798 -9.848 258 HA ASP 32 HA ASP 32 -5.500 -2.559 -12.122 259 HB2 ASP 32 HB2 ASP 32 -3.053 -2.239 -12.262 260 HB3 ASP 32 HB3 ASP 32 -2.811 -3.568 -11.111 261 H LYS 33 H LYS 33 -4.816 -3.831 -8.913 262 HA LYS 33 HA LYS 33 -5.713 -6.522 -9.689 263 HB2 LYS 33 HB2 LYS 33 -3.698 -6.076 -8.231 264 HB3 LYS 33 HB3 LYS 33 -4.806 -5.468 -6.985 265 HG2 LYS 33 HG2 LYS 33 -4.337 -7.778 -6.478 266 HG3 LYS 33 HG3 LYS 33 -6.005 -7.705 -7.088 267 HD2 LYS 33 HD2 LYS 33 -5.261 -8.453 -9.302 268 HD3 LYS 33 HD3 LYS 33 -3.561 -8.385 -8.783 269 HE2 LYS 33 HE2 LYS 33 -4.047 -10.104 -7.048 270 HE3 LYS 33 HE3 LYS 33 -5.718 -10.206 -7.642 271 HZ1 LYS 33 HZ1 LYS 33 -4.342 -11.909 -8.582 272 HZ2 LYS 33 HZ2 LYS 33 -4.849 -10.878 -9.765 273 HZ3 LYS 33 HZ3 LYS 33 -3.299 -10.792 -9.204 274 H GLU 34 H GLU 34 -6.510 -4.193 -7.029 275 HA GLU 34 HA GLU 34 -9.048 -5.589 -6.612 276 HB2 GLU 34 HB2 GLU 34 -7.471 -4.772 -4.790 277 HB3 GLU 34 HB3 GLU 34 -7.959 -3.118 -5.214 278 HG2 GLU 34 HG2 GLU 34 -9.279 -4.014 -3.317 279 HG3 GLU 34 HG3 GLU 34 -10.308 -3.676 -4.720 280 H GLY 35 H GLY 35 -7.878 -2.905 -8.439 281 HA2 GLY 35 HA2 GLY 35 -9.091 -1.681 -9.993 282 HA3 GLY 35 HA3 GLY 35 -10.594 -2.329 -9.321 283 H ILE 36 H ILE 36 -9.128 -1.348 -6.584 284 HA ILE 36 HA ILE 36 -10.759 1.003 -6.375 285 HB ILE 36 HB ILE 36 -8.525 -0.027 -4.586 286 HG12 ILE 36 HG12 ILE 36 -11.541 -0.462 -4.457 287 HG13 ILE 36 HG13 ILE 36 -10.364 -1.662 -5.026 288 HG21 ILE 36 HG21 ILE 36 -10.851 1.869 -4.032 289 HG22 ILE 36 HG22 ILE 36 -9.651 1.311 -2.841 290 HG23 ILE 36 HG23 ILE 36 -9.144 2.348 -4.190 291 HD11 ILE 36 HD11 ILE 36 -9.218 -1.552 -2.810 292 HD12 ILE 36 HD12 ILE 36 -10.483 -0.437 -2.239 293 HD13 ILE 36 HD13 ILE 36 -10.904 -2.105 -2.684 294 HA PRO 37 HA PRO 37 -7.742 3.717 -8.285 295 HB2 PRO 37 HB2 PRO 37 -9.685 5.823 -7.501 296 HB3 PRO 37 HB3 PRO 37 -9.066 5.412 -9.132 297 HG2 PRO 37 HG2 PRO 37 -11.632 4.825 -8.316 298 HG3 PRO 37 HG3 PRO 37 -10.717 3.802 -9.471 299 HD2 PRO 37 HD2 PRO 37 -11.212 3.360 -6.537 300 HD3 PRO 37 HD3 PRO 37 -11.129 2.172 -7.871 301 HA PRO 38 HA PRO 38 -5.671 5.745 -4.934 302 HB2 PRO 38 HB2 PRO 38 -5.932 8.395 -6.287 303 HB3 PRO 38 HB3 PRO 38 -4.449 7.535 -5.764 304 HG2 PRO 38 HG2 PRO 38 -5.208 7.707 -8.404 305 HG3 PRO 38 HG3 PRO 38 -4.361 6.275 -7.734 306 HD2 PRO 38 HD2 PRO 38 -7.271 6.612 -8.393 307 HD3 PRO 38 HD3 PRO 38 -6.239 5.153 -8.494 308 H ASP 39 H ASP 39 -5.899 7.553 -3.296 309 HA ASP 39 HA ASP 39 -7.041 8.909 -1.891 310 HB2 ASP 39 HB2 ASP 39 -7.826 10.007 -4.029 311 HB3 ASP 39 HB3 ASP 39 -9.294 9.014 -3.920 312 H GLN 40 H GLN 40 -9.222 6.521 -3.509 313 HA GLN 40 HA GLN 40 -10.964 6.240 -1.269 314 HB2 GLN 40 HB2 GLN 40 -10.275 4.410 -3.599 315 HB3 GLN 40 HB3 GLN 40 -11.549 4.052 -2.409 316 HG2 GLN 40 HG2 GLN 40 -12.683 6.171 -2.961 317 HG3 GLN 40 HG3 GLN 40 -11.409 6.558 -4.135 318 HE21 GLN 40 HE21 GLN 40 -13.195 5.001 -6.711 319 HE22 GLN 40 HE22 GLN 40 -12.220 6.341 -6.152 320 H GLN 41 H GLN 41 -7.726 5.157 -1.885 321 HA GLN 41 HA GLN 41 -7.901 3.402 0.511 322 HB2 GLN 41 HB2 GLN 41 -6.096 2.079 -0.434 323 HB3 GLN 41 HB3 GLN 41 -7.425 2.186 -1.608 324 HG2 GLN 41 HG2 GLN 41 -6.212 4.088 -2.721 325 HG3 GLN 41 HG3 GLN 41 -4.851 3.818 -1.612 326 HE21 GLN 41 HE21 GLN 41 -5.275 1.565 -4.963 327 HE22 GLN 41 HE22 GLN 41 -6.277 2.951 -4.602 328 H ARG 42 H ARG 42 -6.100 3.476 1.966 329 HA ARG 42 HA ARG 42 -4.157 5.683 1.617 330 HB2 ARG 42 HB2 ARG 42 -6.205 5.379 3.837 331 HB3 ARG 42 HB3 ARG 42 -4.692 6.282 4.071 332 HG2 ARG 42 HG2 ARG 42 -5.241 7.847 2.332 333 HG3 ARG 42 HG3 ARG 42 -6.615 6.862 1.786 334 HD2 ARG 42 HD2 ARG 42 -6.434 8.107 4.554 335 HD3 ARG 42 HD3 ARG 42 -7.275 8.851 3.177 336 HE ARG 42 HE ARG 42 -8.201 6.189 3.474 337 HH11 ARG 42 HH11 ARG 42 -8.371 9.372 5.017 338 HH12 ARG 42 HH12 ARG 42 -9.948 9.098 5.711 339 HH21 ARG 42 HH21 ARG 42 -10.298 5.848 4.352 340 HH22 ARG 42 HH22 ARG 42 -11.056 7.087 5.325 341 H LEU 43 H LEU 43 -2.197 5.263 2.680 342 HA LEU 43 HA LEU 43 -1.977 2.455 3.636 343 HB2 LEU 43 HB2 LEU 43 -0.204 4.366 2.116 344 HB3 LEU 43 HB3 LEU 43 0.524 3.034 3.033 345 HG LEU 43 HG LEU 43 -1.693 2.615 0.995 346 HD11 LEU 43 HD11 LEU 43 0.317 3.572 -0.088 347 HD12 LEU 43 HD12 LEU 43 1.330 2.333 0.693 348 HD13 LEU 43 HD13 LEU 43 0.114 1.859 -0.517 349 HD21 LEU 43 HD21 LEU 43 -0.845 0.271 1.096 350 HD22 LEU 43 HD22 LEU 43 0.322 0.758 2.345 351 HD23 LEU 43 HD23 LEU 43 -1.422 0.823 2.684 352 H ALA 44 H ALA 44 -0.512 1.939 5.318 353 HA ALA 44 HA ALA 44 0.733 4.051 6.888 354 HB1 ALA 44 HB1 ALA 44 -1.459 2.299 8.078 355 HB2 ALA 44 HB2 ALA 44 -0.410 3.417 8.983 356 HB3 ALA 44 HB3 ALA 44 -1.572 4.052 7.796 357 H PHE 45 H PHE 45 1.987 2.988 8.749 358 HA PHE 45 HA PHE 45 2.483 0.118 8.348 359 HB2 PHE 45 HB2 PHE 45 3.990 1.466 6.797 360 HB3 PHE 45 HB3 PHE 45 4.766 2.111 8.248 361 HD1 PHE 45 HD1 PHE 45 5.584 0.249 9.981 362 HD2 PHE 45 HD2 PHE 45 4.831 -0.444 5.808 363 HE1 PHE 45 HE1 PHE 45 7.012 -1.776 10.059 364 HE2 PHE 45 HE2 PHE 45 6.265 -2.467 5.886 365 HZ PHE 45 HZ PHE 45 7.356 -3.132 8.013 366 H ALA 46 H ALA 46 2.268 -0.681 10.363 367 HA ALA 46 HA ALA 46 2.393 -0.887 12.622 368 HB1 ALA 46 HB1 ALA 46 4.799 -1.024 12.067 369 HB2 ALA 46 HB2 ALA 46 4.941 0.737 12.275 370 HB3 ALA 46 HB3 ALA 46 4.525 -0.291 13.665 371 H GLY 47 H GLY 47 1.160 1.646 11.346 372 HA2 GLY 47 HA2 GLY 47 -0.323 3.017 12.619 373 HA3 GLY 47 HA3 GLY 47 0.867 3.072 13.933 374 H LYS 48 H LYS 48 2.878 3.411 11.434 375 HA LYS 48 HA LYS 48 2.881 6.334 11.601 376 HB2 LYS 48 HB2 LYS 48 4.635 4.420 10.004 377 HB3 LYS 48 HB3 LYS 48 4.948 6.145 10.296 378 HG2 LYS 48 HG2 LYS 48 5.036 5.695 12.745 379 HG3 LYS 48 HG3 LYS 48 4.778 3.965 12.425 380 HD2 LYS 48 HD2 LYS 48 6.854 3.909 11.070 381 HD3 LYS 48 HD3 LYS 48 7.112 5.639 11.400 382 HE2 LYS 48 HE2 LYS 48 7.187 5.142 13.837 383 HE3 LYS 48 HE3 LYS 48 6.980 3.416 13.481 384 HZ1 LYS 48 HZ1 LYS 48 9.034 3.496 12.250 385 HZ2 LYS 48 HZ2 LYS 48 9.223 5.097 12.598 386 HZ3 LYS 48 HZ3 LYS 48 9.271 3.980 13.808 387 H GLN 49 H GLN 49 1.770 7.614 10.217 388 HA GLN 49 HA GLN 49 0.291 6.484 8.025 389 HB2 GLN 49 HB2 GLN 49 -0.695 8.368 9.038 390 HB3 GLN 49 HB3 GLN 49 0.839 9.263 9.086 391 HG2 GLN 49 HG2 GLN 49 0.819 9.572 6.679 392 HG3 GLN 49 HG3 GLN 49 -0.605 8.524 6.515 393 HE21 GLN 49 HE21 GLN 49 -1.109 12.269 8.267 394 HE22 GLN 49 HE22 GLN 49 0.376 11.378 8.520 395 H LEU 50 H LEU 50 0.973 6.070 5.997 396 HA LEU 50 HA LEU 50 3.654 7.005 5.200 397 HB2 LEU 50 HB2 LEU 50 1.641 5.152 3.860 398 HB3 LEU 50 HB3 LEU 50 3.273 5.503 3.253 399 HG LEU 50 HG LEU 50 2.614 4.216 5.940 400 HD11 LEU 50 HD11 LEU 50 3.802 3.103 3.364 401 HD12 LEU 50 HD12 LEU 50 3.691 2.218 4.902 402 HD13 LEU 50 HD13 LEU 50 2.210 2.705 4.051 403 HD21 LEU 50 HD21 LEU 50 4.666 5.560 6.061 404 HD22 LEU 50 HD22 LEU 50 5.070 3.831 6.046 405 HD23 LEU 50 HD23 LEU 50 5.273 4.802 4.568 406 H GLU 51 H GLU 51 3.997 8.098 3.152 407 HA GLU 51 HA GLU 51 1.631 9.389 1.955 408 HB2 GLU 51 HB2 GLU 51 2.315 10.843 3.828 409 HB3 GLU 51 HB3 GLU 51 3.973 10.893 3.196 410 HG2 GLU 51 HG2 GLU 51 3.239 12.045 1.193 411 HG3 GLU 51 HG3 GLU 51 1.535 11.825 1.636 412 H ASP 52 H ASP 52 2.129 10.367 -0.130 413 HA ASP 52 HA ASP 52 4.285 8.928 -1.493 414 HB2 ASP 52 HB2 ASP 52 3.271 9.926 -3.523 415 HB3 ASP 52 HB3 ASP 52 2.084 9.054 -2.535 416 H GLY 53 H GLY 53 5.701 10.137 -3.047 417 HA2 GLY 53 HA2 GLY 53 6.818 12.136 -3.683 418 HA3 GLY 53 HA3 GLY 53 6.314 12.897 -2.161 419 H ARG 54 H ARG 54 7.266 9.755 -1.422 420 HA ARG 54 HA ARG 54 10.119 10.509 -1.118 421 HB2 ARG 54 HB2 ARG 54 8.954 11.129 0.967 422 HB3 ARG 54 HB3 ARG 54 8.298 9.484 1.100 423 HG2 ARG 54 HG2 ARG 54 10.561 8.561 1.302 424 HG3 ARG 54 HG3 ARG 54 11.267 10.178 1.065 425 HD2 ARG 54 HD2 ARG 54 10.193 10.975 3.120 426 HD3 ARG 54 HD3 ARG 54 9.387 9.406 3.334 427 HE ARG 54 HE ARG 54 12.114 8.839 3.165 428 HH11 ARG 54 HH11 ARG 54 9.976 10.751 5.242 429 HH12 ARG 54 HH12 ARG 54 10.927 10.490 6.685 430 HH21 ARG 54 HH21 ARG 54 13.374 8.514 5.059 431 HH22 ARG 54 HH22 ARG 54 12.888 9.236 6.578 432 H THR 55 H THR 55 11.533 8.698 -0.786 433 HA THR 55 HA THR 55 10.919 6.361 -2.296 434 HB THR 55 HB THR 55 13.067 6.861 -0.179 435 HG1 THR 55 HG1 THR 55 14.265 7.499 -2.016 436 HG21 THR 55 HG21 THR 55 13.101 4.543 -0.681 437 HG22 THR 55 HG22 THR 55 12.712 4.826 -2.403 438 HG23 THR 55 HG23 THR 55 14.316 5.243 -1.762 439 H LEU 56 H LEU 56 9.544 4.760 -1.710 440 HA LEU 56 HA LEU 56 8.420 4.660 0.889 441 HB2 LEU 56 HB2 LEU 56 7.274 2.652 0.070 442 HB3 LEU 56 HB3 LEU 56 7.260 3.948 -1.140 443 HG LEU 56 HG LEU 56 9.495 2.696 -1.959 444 HD11 LEU 56 HD11 LEU 56 7.760 0.497 -0.744 445 HD12 LEU 56 HD12 LEU 56 9.182 0.247 -1.781 446 HD13 LEU 56 HD13 LEU 56 9.376 0.958 -0.165 447 HD21 LEU 56 HD21 LEU 56 6.630 1.823 -2.513 448 HD22 LEU 56 HD22 LEU 56 7.501 3.152 -3.314 449 HD23 LEU 56 HD23 LEU 56 8.027 1.471 -3.557 450 H SER 57 H SER 57 11.212 2.958 -0.542 451 HA SER 57 HA SER 57 11.279 0.923 1.490 452 HB2 SER 57 HB2 SER 57 13.518 0.449 0.570 453 HB3 SER 57 HB3 SER 57 12.317 0.651 -0.727 454 HG SER 57 HG SER 57 14.229 1.821 -1.147 455 H ASP 58 H ASP 58 12.301 4.261 1.345 456 HA ASP 58 HA ASP 58 14.058 3.943 3.698 457 HB2 ASP 58 HB2 ASP 58 14.744 5.416 1.830 458 HB3 ASP 58 HB3 ASP 58 13.272 6.381 2.055 459 H TYR 59 H TYR 59 10.777 4.535 2.875 460 HA TYR 59 HA TYR 59 10.115 6.313 5.023 461 HB2 TYR 59 HB2 TYR 59 8.927 5.617 2.733 462 HB3 TYR 59 HB3 TYR 59 8.082 4.486 3.794 463 HD1 TYR 59 HD1 TYR 59 7.580 7.397 2.202 464 HD2 TYR 59 HD2 TYR 59 7.615 5.937 6.244 465 HE1 TYR 59 HE1 TYR 59 6.040 9.222 2.868 466 HE2 TYR 59 HE2 TYR 59 6.065 7.751 6.920 467 HH TYR 59 HH TYR 59 4.841 9.566 6.230 468 H ASN 60 H ASN 60 8.957 2.929 4.526 469 HA ASN 60 HA ASN 60 9.705 2.174 7.247 470 HB2 ASN 60 HB2 ASN 60 6.848 2.761 6.432 471 HB3 ASN 60 HB3 ASN 60 7.208 1.505 7.631 472 HD21 ASN 60 HD21 ASN 60 6.947 5.267 8.884 473 HD22 ASN 60 HD22 ASN 60 6.263 4.631 7.405 474 H ILE 61 H ILE 61 8.395 1.565 4.045 475 HA ILE 61 HA ILE 61 7.605 -1.122 4.292 476 HB ILE 61 HB ILE 61 8.672 0.567 2.012 477 HG12 ILE 61 HG12 ILE 61 6.333 -0.024 1.168 478 HG13 ILE 61 HG13 ILE 61 6.014 -0.731 2.766 479 HG21 ILE 61 HG21 ILE 61 8.111 -1.345 0.510 480 HG22 ILE 61 HG22 ILE 61 9.479 -1.714 1.581 481 HG23 ILE 61 HG23 ILE 61 7.863 -2.372 1.941 482 HD11 ILE 61 HD11 ILE 61 5.257 1.689 2.435 483 HD12 ILE 61 HD12 ILE 61 6.308 1.410 3.845 484 HD13 ILE 61 HD13 ILE 61 6.975 2.131 2.360 485 H GLN 62 H GLN 62 8.650 -3.067 4.227 486 HA GLN 62 HA GLN 62 11.611 -3.022 3.972 487 HB2 GLN 62 HB2 GLN 62 9.902 -4.214 6.174 488 HB3 GLN 62 HB3 GLN 62 11.535 -4.823 5.818 489 HG2 GLN 62 HG2 GLN 62 12.476 -2.582 6.167 490 HG3 GLN 62 HG3 GLN 62 10.853 -1.929 6.468 491 HE21 GLN 62 HE21 GLN 62 12.477 -2.596 9.776 492 HE22 GLN 62 HE22 GLN 62 12.808 -1.578 8.393 493 H LYS 63 H LYS 63 12.432 -5.329 3.683 494 HA LYS 63 HA LYS 63 11.178 -6.434 1.394 495 HB2 LYS 63 HB2 LYS 63 12.883 -8.265 1.724 496 HB3 LYS 63 HB3 LYS 63 13.541 -6.619 1.660 497 HG2 LYS 63 HG2 LYS 63 13.593 -6.566 4.157 498 HG3 LYS 63 HG3 LYS 63 13.043 -8.260 4.178 499 HD2 LYS 63 HD2 LYS 63 15.029 -8.932 2.885 500 HD3 LYS 63 HD3 LYS 63 15.564 -7.238 2.802 501 HE2 LYS 63 HE2 LYS 63 15.682 -7.166 5.279 502 HE3 LYS 63 HE3 LYS 63 15.191 -8.871 5.347 503 HZ1 LYS 63 HZ1 LYS 63 17.570 -8.565 5.497 504 HZ2 LYS 63 HZ2 LYS 63 17.163 -9.441 4.161 505 HZ3 LYS 63 HZ3 LYS 63 17.604 -7.858 4.010 506 H GLU 64 H GLU 64 9.504 -7.723 1.196 507 HA GLU 64 HA GLU 64 7.759 -9.072 1.725 508 HB2 GLU 64 HB2 GLU 64 10.023 -10.610 3.056 509 HB3 GLU 64 HB3 GLU 64 8.413 -11.262 2.675 510 HG2 GLU 64 HG2 GLU 64 9.690 -11.920 0.828 511 HG3 GLU 64 HG3 GLU 64 8.876 -10.455 0.248 512 H SER 65 H SER 65 7.906 -6.852 3.455 513 HA SER 65 HA SER 65 7.088 -8.032 6.062 514 HB2 SER 65 HB2 SER 65 7.854 -5.207 5.234 515 HB3 SER 65 HB3 SER 65 7.214 -5.641 6.837 516 HG SER 65 HG SER 65 9.485 -5.669 6.827 517 H THR 66 H THR 66 5.168 -6.766 7.079 518 HA THR 66 HA THR 66 3.060 -6.751 5.004 519 HB THR 66 HB THR 66 2.848 -6.939 8.033 520 HG1 THR 66 HG1 THR 66 2.515 -9.160 7.540 521 HG21 THR 66 HG21 THR 66 0.575 -7.801 7.504 522 HG22 THR 66 HG22 THR 66 0.794 -6.136 6.923 523 HG23 THR 66 HG23 THR 66 0.870 -7.495 5.777 524 H LEU 67 H LEU 67 1.885 -4.990 4.519 525 HA LEU 67 HA LEU 67 2.522 -2.453 5.926 526 HB2 LEU 67 HB2 LEU 67 1.432 -3.207 3.198 527 HB3 LEU 67 HB3 LEU 67 1.135 -1.595 3.877 528 HG LEU 67 HG LEU 67 3.650 -1.401 4.259 529 HD11 LEU 67 HD11 LEU 67 5.045 -2.842 2.760 530 HD12 LEU 67 HD12 LEU 67 4.251 -3.777 4.044 531 HD13 LEU 67 HD13 LEU 67 3.601 -3.812 2.388 532 HD21 LEU 67 HD21 LEU 67 2.592 -1.705 1.416 533 HD22 LEU 67 HD22 LEU 67 2.439 -0.257 2.437 534 HD23 LEU 67 HD23 LEU 67 4.043 -0.791 1.887 535 H HIS 68 H HIS 68 0.482 -0.914 5.890 536 HA HIS 68 HA HIS 68 -1.913 -2.474 6.726 537 HB2 HIS 68 HB2 HIS 68 -0.596 -1.485 8.629 538 HB3 HIS 68 HB3 HIS 68 -0.885 0.117 7.937 539 HD1 HIS 68 HD1 HIS 68 -2.143 -1.655 10.674 540 HD2 HIS 68 HD2 HIS 68 -3.912 0.165 7.321 541 HE1 HIS 68 HE1 HIS 68 -4.573 -1.170 11.303 542 H LEU 69 H LEU 69 -3.748 -1.905 5.645 543 HA LEU 69 HA LEU 69 -3.655 0.640 4.096 544 HB2 LEU 69 HB2 LEU 69 -3.231 -1.441 2.722 545 HB3 LEU 69 HB3 LEU 69 -4.839 -2.015 3.203 546 HG LEU 69 HG LEU 69 -5.748 0.199 2.245 547 HD11 LEU 69 HD11 LEU 69 -3.009 0.172 0.906 548 HD12 LEU 69 HD12 LEU 69 -4.332 1.316 0.586 549 HD13 LEU 69 HD13 LEU 69 -3.503 1.330 2.158 550 HD21 LEU 69 HD21 LEU 69 -5.710 -0.684 -0.058 551 HD22 LEU 69 HD22 LEU 69 -4.364 -1.766 0.373 552 HD23 LEU 69 HD23 LEU 69 -5.962 -1.993 1.119 553 H ALA 70 H ALA 70 -5.602 1.756 3.886 554 HA ALA 70 HA ALA 70 -7.946 0.649 5.355 555 HB1 ALA 70 HB1 ALA 70 -8.440 2.960 6.087 556 HB2 ALA 70 HB2 ALA 70 -6.864 2.411 6.703 557 HB3 ALA 70 HB3 ALA 70 -6.939 3.525 5.317 558 H LEU 71 H LEU 71 -9.937 0.955 4.324 559 HA LEU 71 HA LEU 71 -9.717 2.096 1.574 560 HB2 LEU 71 HB2 LEU 71 -11.235 -0.328 2.609 561 HB3 LEU 71 HB3 LEU 71 -11.532 0.411 1.029 562 HG LEU 71 HG LEU 71 -10.086 -1.404 0.631 563 HD11 LEU 71 HD11 LEU 71 -8.382 -0.365 -0.548 564 HD12 LEU 71 HD12 LEU 71 -9.496 0.985 -0.287 565 HD13 LEU 71 HD13 LEU 71 -8.057 0.822 0.748 566 HD21 LEU 71 HD21 LEU 71 -9.321 -1.684 3.001 567 HD22 LEU 71 HD22 LEU 71 -8.027 -1.859 1.794 568 HD23 LEU 71 HD23 LEU 71 -8.159 -0.364 2.737 569 H ARG 72 H ARG 72 -12.031 2.432 0.664 570 HA ARG 72 HA ARG 72 -13.248 4.567 2.059 571 HB2 ARG 72 HB2 ARG 72 -15.007 4.292 0.279 572 HB3 ARG 72 HB3 ARG 72 -13.347 4.350 -0.360 573 HG2 ARG 72 HG2 ARG 72 -13.285 1.890 -0.471 574 HG3 ARG 72 HG3 ARG 72 -14.931 1.796 0.192 575 HD2 ARG 72 HD2 ARG 72 -14.364 3.410 -2.303 576 HD3 ARG 72 HD3 ARG 72 -14.564 1.650 -2.393 577 HE ARG 72 HE ARG 72 -16.719 2.769 -0.899 578 HH11 ARG 72 HH11 ARG 72 -15.434 2.503 -4.181 579 HH12 ARG 72 HH12 ARG 72 -17.003 2.426 -4.942 580 HH21 ARG 72 HH21 ARG 72 -18.799 2.650 -1.899 581 HH22 ARG 72 HH22 ARG 72 -18.928 2.537 -3.640 582 H LEU 73 H LEU 73 -15.646 4.627 2.554 583 HA LEU 73 HA LEU 73 -16.280 2.425 4.407 584 HB2 LEU 73 HB2 LEU 73 -17.612 5.109 3.855 585 HB3 LEU 73 HB3 LEU 73 -18.071 3.982 5.147 586 HG LEU 73 HG LEU 73 -15.326 5.279 4.857 587 HD11 LEU 73 HD11 LEU 73 -16.027 6.625 6.805 588 HD12 LEU 73 HD12 LEU 73 -17.102 6.905 5.418 589 HD13 LEU 73 HD13 LEU 73 -17.635 5.865 6.759 590 HD21 LEU 73 HD21 LEU 73 -16.581 3.616 7.085 591 HD22 LEU 73 HD22 LEU 73 -15.271 3.088 6.002 592 HD23 LEU 73 HD23 LEU 73 -14.991 4.409 7.157 593 H ARG 74 H ARG 74 -18.702 1.827 4.493 594 HA ARG 74 HA ARG 74 -19.475 0.690 1.988 595 HB2 ARG 74 HB2 ARG 74 -20.076 -0.218 4.227 596 HB3 ARG 74 HB3 ARG 74 -21.130 1.189 4.497 597 HG2 ARG 74 HG2 ARG 74 -22.490 0.564 2.536 598 HG3 ARG 74 HG3 ARG 74 -21.398 -0.800 2.195 599 HD2 ARG 74 HD2 ARG 74 -23.425 -1.552 3.397 600 HD3 ARG 74 HD3 ARG 74 -21.961 -1.816 4.363 601 HE ARG 74 HE ARG 74 -23.888 0.434 4.776 602 HH11 ARG 74 HH11 ARG 74 -21.547 -1.931 5.998 603 HH12 ARG 74 HH12 ARG 74 -21.677 -1.385 7.661 604 HH21 ARG 74 HH21 ARG 74 -24.020 1.163 6.945 605 HH22 ARG 74 HH22 ARG 74 -23.098 0.373 8.202 606 H GLY 75 H GLY 75 -20.240 3.715 3.686 607 HA2 GLY 75 HA2 GLY 75 -20.848 5.690 2.567 608 HA3 GLY 75 HA3 GLY 75 -21.427 4.737 1.187 609 H GLY 76 H GLY 76 -22.620 3.128 3.823 610 HA2 GLY 76 HA2 GLY 76 -24.724 4.790 4.764 611 HA3 GLY 76 HA3 GLY 76 -25.305 3.839 3.378 Start of MODEL 6 1 H1 MET 1 H MET 1 11.434 -8.635 -1.289 2 HA MET 1 HA MET 1 11.893 -7.877 -4.116 3 HB2 MET 1 HB2 MET 1 12.635 -10.185 -3.588 4 HB3 MET 1 HB3 MET 1 10.998 -10.558 -2.996 5 HG2 MET 1 HG2 MET 1 10.088 -9.938 -5.226 6 HG3 MET 1 HG3 MET 1 11.731 -9.662 -5.814 7 HE1 MET 1 HE1 MET 1 13.615 -11.746 -5.268 8 HE2 MET 1 HE2 MET 1 13.233 -13.048 -6.420 9 HE3 MET 1 HE3 MET 1 13.118 -11.347 -6.930 10 H GLN 2 H GLN 2 9.467 -9.125 -1.750 11 HA GLN 2 HA GLN 2 7.380 -7.671 -3.312 12 HB2 GLN 2 HB2 GLN 2 7.340 -10.457 -2.090 13 HB3 GLN 2 HB3 GLN 2 5.862 -9.577 -2.532 14 HG2 GLN 2 HG2 GLN 2 6.635 -9.390 -4.859 15 HG3 GLN 2 HG3 GLN 2 8.139 -10.236 -4.439 16 HE21 GLN 2 HE21 GLN 2 5.105 -12.439 -5.684 17 HE22 GLN 2 HE22 GLN 2 5.425 -10.765 -6.078 18 H ILE 3 H ILE 3 5.304 -7.576 -1.827 19 HA ILE 3 HA ILE 3 5.992 -7.283 1.018 20 HB ILE 3 HB ILE 3 5.007 -5.038 1.142 21 HG12 ILE 3 HG12 ILE 3 4.919 -5.168 -1.907 22 HG13 ILE 3 HG13 ILE 3 3.511 -5.261 -0.825 23 HG21 ILE 3 HG21 ILE 3 6.834 -3.794 0.086 24 HG22 ILE 3 HG22 ILE 3 7.460 -5.300 0.794 25 HG23 ILE 3 HG23 ILE 3 7.204 -5.179 -0.964 26 HD11 ILE 3 HD11 ILE 3 4.588 -3.003 0.151 27 HD12 ILE 3 HD12 ILE 3 5.249 -2.913 -1.489 28 HD13 ILE 3 HD13 ILE 3 3.487 -2.991 -1.258 29 H PHE 4 H PHE 4 3.795 -6.641 2.205 30 HA PHE 4 HA PHE 4 1.555 -8.034 0.822 31 HB2 PHE 4 HB2 PHE 4 2.541 -8.415 3.668 32 HB3 PHE 4 HB3 PHE 4 1.000 -9.026 3.054 33 HD1 PHE 4 HD1 PHE 4 0.925 -10.845 1.397 34 HD2 PHE 4 HD2 PHE 4 4.639 -9.471 3.068 35 HE1 PHE 4 HE1 PHE 4 2.045 -12.909 0.604 36 HE2 PHE 4 HE2 PHE 4 5.758 -11.537 2.273 37 HZ PHE 4 HZ PHE 4 4.462 -13.256 1.041 38 H VAL 5 H VAL 5 0.140 -6.416 0.450 39 HA VAL 5 HA VAL 5 -0.289 -4.385 2.572 40 HB VAL 5 HB VAL 5 -1.309 -4.561 -0.298 41 HG11 VAL 5 HG11 VAL 5 -1.964 -2.195 0.099 42 HG12 VAL 5 HG12 VAL 5 -2.813 -3.303 1.200 43 HG13 VAL 5 HG13 VAL 5 -1.435 -2.343 1.791 44 HG21 VAL 5 HG21 VAL 5 0.304 -2.727 -0.713 45 HG22 VAL 5 HG22 VAL 5 0.878 -2.852 0.966 46 HG23 VAL 5 HG23 VAL 5 1.136 -4.200 -0.167 47 H LYS 6 H LYS 6 -1.815 -4.904 4.054 48 HA LYS 6 HA LYS 6 -3.928 -6.809 3.214 49 HB2 LYS 6 HB2 LYS 6 -2.363 -7.320 5.141 50 HB3 LYS 6 HB3 LYS 6 -3.126 -5.981 6.027 51 HG2 LYS 6 HG2 LYS 6 -5.314 -7.085 5.861 52 HG3 LYS 6 HG3 LYS 6 -4.615 -8.363 4.837 53 HD2 LYS 6 HD2 LYS 6 -3.066 -8.964 6.709 54 HD3 LYS 6 HD3 LYS 6 -3.890 -7.768 7.737 55 HE2 LYS 6 HE2 LYS 6 -6.025 -8.970 7.425 56 HE3 LYS 6 HE3 LYS 6 -5.217 -10.147 6.370 57 HZ1 LYS 6 HZ1 LYS 6 -3.845 -10.768 8.220 58 HZ2 LYS 6 HZ2 LYS 6 -4.599 -9.675 9.202 59 HZ3 LYS 6 HZ3 LYS 6 -5.440 -10.958 8.595 60 H THR 7 H THR 7 -5.882 -6.018 2.774 61 HA THR 7 HA THR 7 -6.537 -3.265 3.090 62 HB THR 7 HB THR 7 -8.767 -3.991 2.317 63 HG1 THR 7 HG1 THR 7 -9.142 -6.198 2.080 64 HG21 THR 7 HG21 THR 7 -6.485 -5.461 0.924 65 HG22 THR 7 HG22 THR 7 -8.060 -5.058 0.203 66 HG23 THR 7 HG23 THR 7 -6.935 -3.760 0.661 67 H ALA 8 H ALA 8 -8.706 -2.626 4.172 68 HA ALA 8 HA ALA 8 -8.503 -3.183 6.997 69 HB1 ALA 8 HB1 ALA 8 -10.474 -1.697 7.136 70 HB2 ALA 8 HB2 ALA 8 -9.210 -0.992 6.101 71 HB3 ALA 8 HB3 ALA 8 -10.640 -1.751 5.365 72 H THR 9 H THR 9 -9.873 -4.889 4.384 73 HA THR 9 HA THR 9 -12.044 -6.045 6.025 74 HB THR 9 HB THR 9 -12.635 -7.209 3.922 75 HG1 THR 9 HG1 THR 9 -11.499 -6.510 2.031 76 HG21 THR 9 HG21 THR 9 -13.024 -4.575 4.579 77 HG22 THR 9 HG22 THR 9 -12.283 -4.417 2.979 78 HG23 THR 9 HG23 THR 9 -13.767 -5.380 3.167 79 H GLY 10 H GLY 10 -8.758 -6.441 5.648 80 HA2 GLY 10 HA2 GLY 10 -7.494 -8.082 6.705 81 HA3 GLY 10 HA3 GLY 10 -8.913 -9.144 6.769 82 H LYS 11 H LYS 11 -8.902 -8.023 3.649 83 HA LYS 11 HA LYS 11 -7.860 -10.534 2.630 84 HB2 LYS 11 HB2 LYS 11 -8.810 -8.001 1.229 85 HB3 LYS 11 HB3 LYS 11 -8.447 -9.548 0.429 86 HG2 LYS 11 HG2 LYS 11 -10.164 -10.669 1.826 87 HG3 LYS 11 HG3 LYS 11 -10.543 -9.115 2.603 88 HD2 LYS 11 HD2 LYS 11 -11.201 -8.174 0.412 89 HD3 LYS 11 HD3 LYS 11 -10.809 -9.724 -0.373 90 HE2 LYS 11 HE2 LYS 11 -12.484 -10.864 1.029 91 HE3 LYS 11 HE3 LYS 11 -12.890 -9.332 1.826 92 HZ1 LYS 11 HZ1 LYS 11 -14.129 -10.283 -0.303 93 HZ2 LYS 11 HZ2 LYS 11 -14.050 -8.670 0.057 94 HZ3 LYS 11 HZ3 LYS 11 -13.016 -9.333 -1.042 95 H THR 12 H THR 12 -5.721 -10.904 2.556 96 HA THR 12 HA THR 12 -3.796 -8.749 2.495 97 HB THR 12 HB THR 12 -3.352 -11.726 2.065 98 HG1 THR 12 HG1 THR 12 -3.140 -11.777 4.325 99 HG21 THR 12 HG21 THR 12 -1.610 -9.495 3.203 100 HG22 THR 12 HG22 THR 12 -1.153 -11.211 3.090 101 HG23 THR 12 HG23 THR 12 -1.412 -10.262 1.609 102 H ILE 13 H ILE 13 -2.492 -8.072 0.800 103 HA ILE 13 HA ILE 13 -3.024 -9.299 -1.856 104 HB ILE 13 HB ILE 13 -2.691 -6.329 -1.297 105 HG12 ILE 13 HG12 ILE 13 -5.211 -7.912 -1.962 106 HG13 ILE 13 HG13 ILE 13 -4.828 -7.205 -0.377 107 HG21 ILE 13 HG21 ILE 13 -1.927 -7.151 -3.523 108 HG22 ILE 13 HG22 ILE 13 -3.533 -7.869 -3.792 109 HG23 ILE 13 HG23 ILE 13 -3.354 -6.103 -3.656 110 HD11 ILE 13 HD11 ILE 13 -6.326 -5.708 -1.599 111 HD12 ILE 13 HD12 ILE 13 -4.727 -4.947 -1.432 112 HD13 ILE 13 HD13 ILE 13 -5.214 -5.674 -2.983 113 H THR 14 H THR 14 -1.155 -10.313 -2.353 114 HA THR 14 HA THR 14 1.428 -9.419 -1.439 115 HB THR 14 HB THR 14 0.716 -11.301 -3.726 116 HG1 THR 14 HG1 THR 14 0.948 -12.886 -2.062 117 HG21 THR 14 HG21 THR 14 3.080 -10.560 -3.648 118 HG22 THR 14 HG22 THR 14 3.176 -11.050 -1.940 119 HG23 THR 14 HG23 THR 14 2.932 -12.276 -3.206 120 H LEU 15 H LEU 15 2.598 -7.747 -2.261 121 HA LEU 15 HA LEU 15 1.908 -6.870 -5.024 122 HB2 LEU 15 HB2 LEU 15 1.189 -5.461 -2.927 123 HB3 LEU 15 HB3 LEU 15 2.901 -4.993 -2.886 124 HG LEU 15 HG LEU 15 2.696 -4.295 -5.305 125 HD11 LEU 15 HD11 LEU 15 0.887 -5.048 -6.433 126 HD12 LEU 15 HD12 LEU 15 0.103 -5.592 -4.925 127 HD13 LEU 15 HD13 LEU 15 -0.096 -3.916 -5.485 128 HD21 LEU 15 HD21 LEU 15 0.752 -3.015 -3.334 129 HD22 LEU 15 HD22 LEU 15 2.496 -2.678 -3.448 130 HD23 LEU 15 HD23 LEU 15 1.417 -2.236 -4.789 131 H GLU 16 H GLU 16 3.626 -5.802 -6.216 132 HA GLU 16 HA GLU 16 6.370 -6.296 -5.207 133 HB2 GLU 16 HB2 GLU 16 5.732 -8.196 -6.664 134 HB3 GLU 16 HB3 GLU 16 5.313 -7.054 -7.962 135 HG2 GLU 16 HG2 GLU 16 7.646 -6.222 -7.981 136 HG3 GLU 16 HG3 GLU 16 8.062 -7.351 -6.677 137 H VAL 17 H VAL 17 7.111 -4.222 -5.025 138 HA VAL 17 HA VAL 17 6.743 -2.470 -7.402 139 HB VAL 17 HB VAL 17 6.510 -0.544 -5.859 140 HG11 VAL 17 HG11 VAL 17 4.477 -2.762 -5.372 141 HG12 VAL 17 HG12 VAL 17 4.200 -1.018 -5.153 142 HG13 VAL 17 HG13 VAL 17 4.505 -1.673 -6.778 143 HG21 VAL 17 HG21 VAL 17 6.046 -0.959 -3.468 144 HG22 VAL 17 HG22 VAL 17 6.336 -2.698 -3.705 145 HG23 VAL 17 HG23 VAL 17 7.668 -1.535 -3.907 146 H GLU 18 H GLU 18 8.384 -0.665 -7.434 147 HA GLU 18 HA GLU 18 11.016 -1.744 -6.743 148 HB2 GLU 18 HB2 GLU 18 10.114 0.804 -8.153 149 HB3 GLU 18 HB3 GLU 18 11.804 0.318 -7.922 150 HG2 GLU 18 HG2 GLU 18 9.686 -0.960 -9.643 151 HG3 GLU 18 HG3 GLU 18 11.338 -0.481 -10.075 152 HA PRO 19 HA PRO 19 11.585 0.282 -2.956 153 HB2 PRO 19 HB2 PRO 19 14.295 1.105 -3.926 154 HB3 PRO 19 HB3 PRO 19 13.856 0.161 -2.467 155 HG2 PRO 19 HG2 PRO 19 14.928 -1.020 -4.692 156 HG3 PRO 19 HG3 PRO 19 13.688 -1.836 -3.685 157 HD2 PRO 19 HD2 PRO 19 13.366 -0.469 -6.339 158 HD3 PRO 19 HD3 PRO 19 12.526 -1.908 -5.683 159 H SER 20 H SER 20 12.148 2.101 -5.938 160 HA SER 20 HA SER 20 11.971 4.627 -4.366 161 HB2 SER 20 HB2 SER 20 13.588 4.065 -6.877 162 HB3 SER 20 HB3 SER 20 13.543 5.594 -5.969 163 HG SER 20 HG SER 20 15.327 4.292 -5.385 164 H ASP 21 H ASP 21 9.900 2.928 -5.991 165 HA ASP 21 HA ASP 21 9.225 4.834 -8.136 166 HB2 ASP 21 HB2 ASP 21 8.224 2.152 -7.218 167 HB3 ASP 21 HB3 ASP 21 7.133 3.203 -8.139 168 H THR 22 H THR 22 9.022 4.926 -4.884 169 HA THR 22 HA THR 22 7.962 6.383 -3.504 170 HB THR 22 HB THR 22 6.220 7.189 -5.866 171 HG1 THR 22 HG1 THR 22 8.360 7.466 -6.424 172 HG21 THR 22 HG21 THR 22 6.112 9.330 -4.607 173 HG22 THR 22 HG22 THR 22 5.424 7.979 -3.680 174 HG23 THR 22 HG23 THR 22 7.053 8.586 -3.291 175 H ILE 23 H ILE 23 6.065 6.471 -2.191 176 HA ILE 23 HA ILE 23 4.677 4.063 -1.897 177 HB ILE 23 HB ILE 23 3.981 6.901 -1.051 178 HG12 ILE 23 HG12 ILE 23 6.109 5.890 -0.178 179 HG13 ILE 23 HG13 ILE 23 4.916 6.257 1.081 180 HG21 ILE 23 HG21 ILE 23 2.535 5.732 0.674 181 HG22 ILE 23 HG22 ILE 23 1.919 5.656 -0.994 182 HG23 ILE 23 HG23 ILE 23 2.724 4.241 -0.277 183 HD11 ILE 23 HD11 ILE 23 5.966 4.039 1.427 184 HD12 ILE 23 HD12 ILE 23 4.216 3.904 1.158 185 HD13 ILE 23 HD13 ILE 23 5.351 3.506 -0.154 186 H GLU 24 H GLU 24 3.938 6.858 -3.964 187 HA GLU 24 HA GLU 24 1.197 6.383 -4.357 188 HB2 GLU 24 HB2 GLU 24 2.341 8.420 -5.077 189 HB3 GLU 24 HB3 GLU 24 3.271 7.500 -6.284 190 HG2 GLU 24 HG2 GLU 24 1.264 6.940 -7.509 191 HG3 GLU 24 HG3 GLU 24 0.231 7.570 -6.211 192 H ASN 25 H ASN 25 4.044 4.749 -5.732 193 HA ASN 25 HA ASN 25 2.608 3.451 -7.845 194 HB2 ASN 25 HB2 ASN 25 5.081 3.781 -7.749 195 HB3 ASN 25 HB3 ASN 25 5.160 2.591 -6.433 196 HD21 ASN 25 HD21 ASN 25 4.354 1.389 -10.324 197 HD22 ASN 25 HD22 ASN 25 4.141 3.058 -9.849 198 H VAL 26 H VAL 26 3.086 2.764 -4.399 199 HA VAL 26 HA VAL 26 2.421 -0.007 -4.492 200 HB VAL 26 HB VAL 26 2.000 2.044 -2.276 201 HG11 VAL 26 HG11 VAL 26 0.748 -0.062 -1.921 202 HG12 VAL 26 HG12 VAL 26 2.240 -0.992 -2.193 203 HG13 VAL 26 HG13 VAL 26 2.105 0.081 -0.781 204 HG21 VAL 26 HG21 VAL 26 4.336 0.183 -2.883 205 HG22 VAL 26 HG22 VAL 26 4.341 1.953 -3.068 206 HG23 VAL 26 HG23 VAL 26 4.189 1.229 -1.451 207 H LYS 27 H LYS 27 0.517 2.980 -4.512 208 HA LYS 27 HA LYS 27 -2.003 1.595 -4.047 209 HB2 LYS 27 HB2 LYS 27 -1.349 4.419 -4.988 210 HB3 LYS 27 HB3 LYS 27 -2.966 3.834 -4.534 211 HG2 LYS 27 HG2 LYS 27 -2.088 3.256 -2.267 212 HG3 LYS 27 HG3 LYS 27 -0.515 3.947 -2.720 213 HD2 LYS 27 HD2 LYS 27 -3.162 5.466 -2.711 214 HD3 LYS 27 HD3 LYS 27 -1.927 5.550 -1.434 215 HE2 LYS 27 HE2 LYS 27 -0.273 6.347 -3.111 216 HE3 LYS 27 HE3 LYS 27 -1.538 6.325 -4.356 217 HZ1 LYS 27 HZ1 LYS 27 -0.948 8.340 -2.588 218 HZ2 LYS 27 HZ2 LYS 27 -2.192 8.284 -3.670 219 HZ3 LYS 27 HZ3 LYS 27 -2.416 7.755 -2.125 220 H ALA 28 H ALA 28 0.006 2.531 -6.803 221 HA ALA 28 HA ALA 28 -2.110 2.417 -8.747 222 HB1 ALA 28 HB1 ALA 28 -0.020 3.692 -9.076 223 HB2 ALA 28 HB2 ALA 28 0.910 2.175 -9.057 224 HB3 ALA 28 HB3 ALA 28 -0.252 2.491 -10.367 225 H LYS 29 H LYS 29 0.279 0.048 -7.481 226 HA LYS 29 HA LYS 29 -0.430 -1.956 -9.440 227 HB2 LYS 29 HB2 LYS 29 1.040 -2.027 -6.785 228 HB3 LYS 29 HB3 LYS 29 0.779 -3.474 -7.782 229 HG2 LYS 29 HG2 LYS 29 2.147 -0.946 -8.791 230 HG3 LYS 29 HG3 LYS 29 3.002 -2.374 -8.164 231 HD2 LYS 29 HD2 LYS 29 1.843 -3.782 -9.877 232 HD3 LYS 29 HD3 LYS 29 1.127 -2.308 -10.566 233 HE2 LYS 29 HE2 LYS 29 3.387 -1.402 -10.980 234 HE3 LYS 29 HE3 LYS 29 4.109 -2.865 -10.279 235 HZ1 LYS 29 HZ1 LYS 29 3.164 -4.140 -12.011 236 HZ2 LYS 29 HZ2 LYS 29 2.337 -2.847 -12.622 237 HZ3 LYS 29 HZ3 LYS 29 3.984 -2.889 -12.694 238 H ILE 30 H ILE 30 -1.907 -0.783 -6.515 239 HA ILE 30 HA ILE 30 -3.440 -3.283 -6.161 240 HB ILE 30 HB ILE 30 -3.462 -0.601 -4.712 241 HG12 ILE 30 HG12 ILE 30 -2.542 -3.363 -3.802 242 HG13 ILE 30 HG13 ILE 30 -1.447 -2.127 -4.455 243 HG21 ILE 30 HG21 ILE 30 -4.955 -3.199 -4.124 244 HG22 ILE 30 HG22 ILE 30 -4.917 -1.771 -3.065 245 HG23 ILE 30 HG23 ILE 30 -5.693 -1.670 -4.658 246 HD11 ILE 30 HD11 ILE 30 -3.221 -1.780 -2.000 247 HD12 ILE 30 HD12 ILE 30 -1.468 -2.088 -1.984 248 HD13 ILE 30 HD13 ILE 30 -2.099 -0.569 -2.660 249 H GLN 31 H GLN 31 -3.630 -0.112 -7.687 250 HA GLN 31 HA GLN 31 -6.469 -0.026 -8.006 251 HB2 GLN 31 HB2 GLN 31 -4.915 1.903 -8.346 252 HB3 GLN 31 HB3 GLN 31 -4.281 1.103 -9.803 253 HG2 GLN 31 HG2 GLN 31 -6.566 1.093 -10.772 254 HG3 GLN 31 HG3 GLN 31 -7.180 1.915 -9.326 255 HE21 GLN 31 HE21 GLN 31 -6.467 4.395 -12.109 256 HE22 GLN 31 HE22 GLN 31 -7.390 2.911 -12.014 257 H ASP 32 H ASP 32 -3.818 -1.666 -9.698 258 HA ASP 32 HA ASP 32 -5.453 -2.477 -11.953 259 HB2 ASP 32 HB2 ASP 32 -3.008 -2.139 -12.109 260 HB3 ASP 32 HB3 ASP 32 -2.752 -3.446 -10.937 261 H LYS 33 H LYS 33 -4.732 -3.713 -8.732 262 HA LYS 33 HA LYS 33 -5.610 -6.417 -9.505 263 HB2 LYS 33 HB2 LYS 33 -3.531 -6.041 -8.178 264 HB3 LYS 33 HB3 LYS 33 -4.518 -5.353 -6.872 265 HG2 LYS 33 HG2 LYS 33 -4.039 -7.691 -6.378 266 HG3 LYS 33 HG3 LYS 33 -5.771 -7.523 -6.734 267 HD2 LYS 33 HD2 LYS 33 -5.436 -8.368 -8.998 268 HD3 LYS 33 HD3 LYS 33 -3.670 -8.367 -8.776 269 HE2 LYS 33 HE2 LYS 33 -3.885 -10.038 -6.976 270 HE3 LYS 33 HE3 LYS 33 -5.650 -10.034 -7.169 271 HZ1 LYS 33 HZ1 LYS 33 -4.576 -11.849 -8.324 272 HZ2 LYS 33 HZ2 LYS 33 -5.377 -10.856 -9.369 273 HZ3 LYS 33 HZ3 LYS 33 -3.733 -10.787 -9.264 274 H GLU 34 H GLU 34 -6.361 -3.998 -6.911 275 HA GLU 34 HA GLU 34 -8.824 -5.482 -6.305 276 HB2 GLU 34 HB2 GLU 34 -7.188 -4.487 -4.590 277 HB3 GLU 34 HB3 GLU 34 -7.834 -2.898 -5.051 278 HG2 GLU 34 HG2 GLU 34 -9.001 -3.817 -3.069 279 HG3 GLU 34 HG3 GLU 34 -10.111 -3.649 -4.442 280 H GLY 35 H GLY 35 -7.777 -2.875 -8.296 281 HA2 GLY 35 HA2 GLY 35 -9.048 -1.743 -9.872 282 HA3 GLY 35 HA3 GLY 35 -10.524 -2.384 -9.133 283 H ILE 36 H ILE 36 -9.046 -1.294 -6.471 284 HA ILE 36 HA ILE 36 -10.687 1.064 -6.338 285 HB ILE 36 HB ILE 36 -8.503 0.052 -4.478 286 HG12 ILE 36 HG12 ILE 36 -11.518 -0.393 -4.426 287 HG13 ILE 36 HG13 ILE 36 -10.323 -1.596 -4.953 288 HG21 ILE 36 HG21 ILE 36 -10.854 1.939 -4.002 289 HG22 ILE 36 HG22 ILE 36 -9.675 1.405 -2.780 290 HG23 ILE 36 HG23 ILE 36 -9.149 2.431 -4.128 291 HD11 ILE 36 HD11 ILE 36 -9.240 -1.475 -2.710 292 HD12 ILE 36 HD12 ILE 36 -10.511 -0.347 -2.181 293 HD13 ILE 36 HD13 ILE 36 -10.933 -2.015 -2.621 294 HA PRO 37 HA PRO 37 -7.567 3.729 -8.163 295 HB2 PRO 37 HB2 PRO 37 -9.528 5.861 -7.515 296 HB3 PRO 37 HB3 PRO 37 -8.841 5.410 -9.107 297 HG2 PRO 37 HG2 PRO 37 -11.448 4.863 -8.393 298 HG3 PRO 37 HG3 PRO 37 -10.492 3.810 -9.488 299 HD2 PRO 37 HD2 PRO 37 -11.116 3.430 -6.569 300 HD3 PRO 37 HD3 PRO 37 -10.991 2.214 -7.876 301 HA PRO 38 HA PRO 38 -5.648 5.792 -4.743 302 HB2 PRO 38 HB2 PRO 38 -5.782 8.394 -6.211 303 HB3 PRO 38 HB3 PRO 38 -4.350 7.546 -5.543 304 HG2 PRO 38 HG2 PRO 38 -4.892 7.593 -8.231 305 HG3 PRO 38 HG3 PRO 38 -4.162 6.163 -7.431 306 HD2 PRO 38 HD2 PRO 38 -7.005 6.590 -8.311 307 HD3 PRO 38 HD3 PRO 38 -6.026 5.091 -8.305 308 H ASP 39 H ASP 39 -5.907 7.687 -3.190 309 HA ASP 39 HA ASP 39 -7.104 9.065 -1.859 310 HB2 ASP 39 HB2 ASP 39 -7.809 10.162 -3.998 311 HB3 ASP 39 HB3 ASP 39 -9.248 9.119 -4.006 312 H GLN 40 H GLN 40 -9.249 6.672 -3.509 313 HA GLN 40 HA GLN 40 -11.009 6.422 -1.259 314 HB2 GLN 40 HB2 GLN 40 -10.419 4.629 -3.647 315 HB3 GLN 40 HB3 GLN 40 -11.697 4.300 -2.453 316 HG2 GLN 40 HG2 GLN 40 -12.727 6.492 -2.930 317 HG3 GLN 40 HG3 GLN 40 -11.453 6.842 -4.115 318 HE21 GLN 40 HE21 GLN 40 -13.003 5.114 -6.747 319 HE22 GLN 40 HE22 GLN 40 -11.716 6.168 -6.203 320 H GLN 41 H GLN 41 -7.808 5.314 -1.922 321 HA GLN 41 HA GLN 41 -7.986 3.445 0.387 322 HB2 GLN 41 HB2 GLN 41 -6.173 2.182 -0.612 323 HB3 GLN 41 HB3 GLN 41 -7.482 2.350 -1.801 324 HG2 GLN 41 HG2 GLN 41 -6.274 4.279 -2.821 325 HG3 GLN 41 HG3 GLN 41 -4.951 4.045 -1.660 326 HE21 GLN 41 HE21 GLN 41 -5.119 1.862 -5.075 327 HE22 GLN 41 HE22 GLN 41 -6.216 3.176 -4.719 328 H ARG 42 H ARG 42 -6.017 3.370 1.738 329 HA ARG 42 HA ARG 42 -4.098 5.559 1.466 330 HB2 ARG 42 HB2 ARG 42 -6.460 5.795 3.121 331 HB3 ARG 42 HB3 ARG 42 -5.011 5.766 4.152 332 HG2 ARG 42 HG2 ARG 42 -4.107 7.682 3.164 333 HG3 ARG 42 HG3 ARG 42 -5.021 7.464 1.654 334 HD2 ARG 42 HD2 ARG 42 -6.377 8.094 4.296 335 HD3 ARG 42 HD3 ARG 42 -5.819 9.348 3.172 336 HE ARG 42 HE ARG 42 -7.283 8.341 1.436 337 HH11 ARG 42 HH11 ARG 42 -7.976 7.753 4.844 338 HH12 ARG 42 HH12 ARG 42 -9.678 7.469 4.599 339 HH21 ARG 42 HH21 ARG 42 -9.520 7.983 1.100 340 HH22 ARG 42 HH22 ARG 42 -10.569 7.619 2.451 341 H LEU 43 H LEU 43 -2.180 5.104 2.559 342 HA LEU 43 HA LEU 43 -2.071 2.327 3.614 343 HB2 LEU 43 HB2 LEU 43 -0.195 4.136 2.087 344 HB3 LEU 43 HB3 LEU 43 0.452 2.783 3.034 345 HG LEU 43 HG LEU 43 -1.743 2.449 0.958 346 HD11 LEU 43 HD11 LEU 43 0.343 3.283 -0.088 347 HD12 LEU 43 HD12 LEU 43 1.262 1.990 0.720 348 HD13 LEU 43 HD13 LEU 43 0.043 1.582 -0.511 349 HD21 LEU 43 HD21 LEU 43 -1.031 0.065 1.103 350 HD22 LEU 43 HD22 LEU 43 0.140 0.501 2.368 351 HD23 LEU 43 HD23 LEU 43 -1.605 0.666 2.675 352 H ALA 44 H ALA 44 -0.628 1.818 5.332 353 HA ALA 44 HA ALA 44 0.583 3.967 6.895 354 HB1 ALA 44 HB1 ALA 44 -1.615 2.199 8.050 355 HB2 ALA 44 HB2 ALA 44 -0.600 3.334 8.970 356 HB3 ALA 44 HB3 ALA 44 -1.740 3.949 7.751 357 H PHE 45 H PHE 45 1.779 2.929 8.817 358 HA PHE 45 HA PHE 45 2.382 0.068 8.393 359 HB2 PHE 45 HB2 PHE 45 3.949 1.536 7.026 360 HB3 PHE 45 HB3 PHE 45 4.559 2.177 8.555 361 HD1 PHE 45 HD1 PHE 45 5.268 0.261 10.318 362 HD2 PHE 45 HD2 PHE 45 5.078 -0.224 6.051 363 HE1 PHE 45 HE1 PHE 45 6.829 -1.658 10.465 364 HE2 PHE 45 HE2 PHE 45 6.645 -2.140 6.201 365 HZ PHE 45 HZ PHE 45 7.523 -2.856 8.407 366 H ALA 46 H ALA 46 1.821 -0.707 10.372 367 HA ALA 46 HA ALA 46 1.704 -0.943 12.629 368 HB1 ALA 46 HB1 ALA 46 4.122 -1.302 12.304 369 HB2 ALA 46 HB2 ALA 46 4.412 0.438 12.543 370 HB3 ALA 46 HB3 ALA 46 3.773 -0.549 13.878 371 H GLY 47 H GLY 47 0.784 1.672 11.306 372 HA2 GLY 47 HA2 GLY 47 -0.677 3.155 12.480 373 HA3 GLY 47 HA3 GLY 47 0.430 3.133 13.866 374 H LYS 48 H LYS 48 2.612 3.316 11.494 375 HA LYS 48 HA LYS 48 2.842 6.220 11.665 376 HB2 LYS 48 HB2 LYS 48 4.427 4.182 10.044 377 HB3 LYS 48 HB3 LYS 48 4.885 5.870 10.349 378 HG2 LYS 48 HG2 LYS 48 4.938 5.386 12.797 379 HG3 LYS 48 HG3 LYS 48 4.558 3.683 12.449 380 HD2 LYS 48 HD2 LYS 48 6.616 3.527 11.057 381 HD3 LYS 48 HD3 LYS 48 7.001 5.218 11.459 382 HE2 LYS 48 HE2 LYS 48 7.043 4.611 13.873 383 HE3 LYS 48 HE3 LYS 48 6.714 2.921 13.440 384 HZ1 LYS 48 HZ1 LYS 48 8.761 2.936 12.176 385 HZ2 LYS 48 HZ2 LYS 48 9.072 4.485 12.646 386 HZ3 LYS 48 HZ3 LYS 48 9.032 3.274 13.766 387 H GLN 49 H GLN 49 1.884 7.623 10.262 388 HA GLN 49 HA GLN 49 0.341 6.664 8.029 389 HB2 GLN 49 HB2 GLN 49 -0.413 8.690 9.001 390 HB3 GLN 49 HB3 GLN 49 1.229 9.370 9.056 391 HG2 GLN 49 HG2 GLN 49 1.278 9.473 6.579 392 HG3 GLN 49 HG3 GLN 49 -0.378 8.838 6.528 393 HE21 GLN 49 HE21 GLN 49 0.087 12.758 6.640 394 HE22 GLN 49 HE22 GLN 49 1.176 11.569 5.965 395 H LEU 50 H LEU 50 1.089 6.075 6.060 396 HA LEU 50 HA LEU 50 3.851 6.809 5.315 397 HB2 LEU 50 HB2 LEU 50 1.739 5.104 3.924 398 HB3 LEU 50 HB3 LEU 50 3.412 5.327 3.370 399 HG LEU 50 HG LEU 50 2.550 4.083 6.019 400 HD11 LEU 50 HD11 LEU 50 3.828 2.914 3.511 401 HD12 LEU 50 HD12 LEU 50 3.529 2.026 5.024 402 HD13 LEU 50 HD13 LEU 50 2.162 2.635 4.067 403 HD21 LEU 50 HD21 LEU 50 4.678 5.307 6.252 404 HD22 LEU 50 HD22 LEU 50 4.962 3.554 6.273 405 HD23 LEU 50 HD23 LEU 50 5.317 4.492 4.803 406 H GLU 51 H GLU 51 4.283 7.933 3.294 407 HA GLU 51 HA GLU 51 1.993 9.368 2.116 408 HB2 GLU 51 HB2 GLU 51 2.770 10.712 4.066 409 HB3 GLU 51 HB3 GLU 51 4.396 10.775 3.355 410 HG2 GLU 51 HG2 GLU 51 3.561 11.991 1.424 411 HG3 GLU 51 HG3 GLU 51 1.881 11.768 1.955 412 H ASP 52 H ASP 52 2.470 10.246 0.041 413 HA ASP 52 HA ASP 52 4.653 8.835 -1.314 414 HB2 ASP 52 HB2 ASP 52 3.579 9.683 -3.348 415 HB3 ASP 52 HB3 ASP 52 2.388 8.899 -2.292 416 H GLY 53 H GLY 53 6.054 10.025 -2.861 417 HA2 GLY 53 HA2 GLY 53 7.030 12.107 -3.578 418 HA3 GLY 53 HA3 GLY 53 6.591 12.826 -2.015 419 H ARG 54 H ARG 54 7.599 9.731 -1.303 420 HA ARG 54 HA ARG 54 10.474 10.444 -1.222 421 HB2 ARG 54 HB2 ARG 54 9.560 11.159 0.926 422 HB3 ARG 54 HB3 ARG 54 8.769 9.585 1.150 423 HG2 ARG 54 HG2 ARG 54 10.936 8.459 1.247 424 HG3 ARG 54 HG3 ARG 54 11.780 9.983 0.883 425 HD2 ARG 54 HD2 ARG 54 10.997 10.965 2.973 426 HD3 ARG 54 HD3 ARG 54 9.994 9.538 3.309 427 HE ARG 54 HE ARG 54 12.692 8.706 2.957 428 HH11 ARG 54 HH11 ARG 54 10.661 10.534 5.205 429 HH12 ARG 54 HH12 ARG 54 11.594 10.090 6.617 430 HH21 ARG 54 HH21 ARG 54 13.917 8.121 4.821 431 HH22 ARG 54 HH22 ARG 54 13.453 8.723 6.397 432 H THR 55 H THR 55 11.869 8.605 -0.930 433 HA THR 55 HA THR 55 11.141 6.290 -2.381 434 HB THR 55 HB THR 55 13.344 6.679 -0.302 435 HG1 THR 55 HG1 THR 55 14.546 7.295 -2.166 436 HG21 THR 55 HG21 THR 55 14.541 4.975 -1.600 437 HG22 THR 55 HG22 THR 55 12.982 4.328 -1.040 438 HG23 THR 55 HG23 THR 55 13.176 4.850 -2.731 439 H LEU 56 H LEU 56 9.678 4.800 -1.787 440 HA LEU 56 HA LEU 56 8.622 4.647 0.822 441 HB2 LEU 56 HB2 LEU 56 7.411 2.680 -0.027 442 HB3 LEU 56 HB3 LEU 56 7.399 4.018 -1.190 443 HG LEU 56 HG LEU 56 9.581 2.749 -2.111 444 HD11 LEU 56 HD11 LEU 56 9.473 0.951 -0.376 445 HD12 LEU 56 HD12 LEU 56 7.836 0.539 -0.933 446 HD13 LEU 56 HD13 LEU 56 9.228 0.304 -2.013 447 HD21 LEU 56 HD21 LEU 56 6.687 1.947 -2.624 448 HD22 LEU 56 HD22 LEU 56 7.566 3.284 -3.402 449 HD23 LEU 56 HD23 LEU 56 8.052 1.603 -3.710 450 H SER 57 H SER 57 11.335 2.881 -0.683 451 HA SER 57 HA SER 57 11.349 0.799 1.299 452 HB2 SER 57 HB2 SER 57 13.548 0.252 0.337 453 HB3 SER 57 HB3 SER 57 12.351 0.556 -0.944 454 HG SER 57 HG SER 57 14.326 1.648 -1.324 455 H ASP 58 H ASP 58 12.598 4.081 1.176 456 HA ASP 58 HA ASP 58 14.367 3.611 3.487 457 HB2 ASP 58 HB2 ASP 58 15.088 5.060 1.608 458 HB3 ASP 58 HB3 ASP 58 13.704 6.130 1.912 459 H TYR 59 H TYR 59 11.103 4.423 2.792 460 HA TYR 59 HA TYR 59 10.703 6.174 5.057 461 HB2 TYR 59 HB2 TYR 59 9.417 5.807 2.729 462 HB3 TYR 59 HB3 TYR 59 8.421 4.760 3.744 463 HD1 TYR 59 HD1 TYR 59 8.340 7.798 2.330 464 HD2 TYR 59 HD2 TYR 59 8.242 6.126 6.288 465 HE1 TYR 59 HE1 TYR 59 7.118 9.800 3.138 466 HE2 TYR 59 HE2 TYR 59 7.017 8.118 7.107 467 HH TYR 59 HH TYR 59 6.094 10.149 6.559 468 H ASN 60 H ASN 60 9.210 2.949 4.303 469 HA ASN 60 HA ASN 60 9.756 2.048 7.043 470 HB2 ASN 60 HB2 ASN 60 7.017 2.856 6.054 471 HB3 ASN 60 HB3 ASN 60 7.195 1.537 7.225 472 HD21 ASN 60 HD21 ASN 60 7.140 5.271 8.595 473 HD22 ASN 60 HD22 ASN 60 6.528 4.748 7.042 474 H ILE 61 H ILE 61 8.568 1.542 3.749 475 HA ILE 61 HA ILE 61 7.624 -1.097 3.985 476 HB ILE 61 HB ILE 61 8.830 0.527 1.734 477 HG12 ILE 61 HG12 ILE 61 6.503 0.033 0.818 478 HG13 ILE 61 HG13 ILE 61 6.107 -0.694 2.389 479 HG21 ILE 61 HG21 ILE 61 8.255 -1.368 0.216 480 HG22 ILE 61 HG22 ILE 61 9.578 -1.777 1.328 481 HG23 ILE 61 HG23 ILE 61 7.934 -2.385 1.639 482 HD11 ILE 61 HD11 ILE 61 5.437 1.755 2.084 483 HD12 ILE 61 HD12 ILE 61 6.431 1.416 3.522 484 HD13 ILE 61 HD13 ILE 61 7.170 2.144 2.075 485 H GLN 62 H GLN 62 8.544 -3.090 4.002 486 HA GLN 62 HA GLN 62 11.504 -3.264 3.793 487 HB2 GLN 62 HB2 GLN 62 9.682 -4.273 5.996 488 HB3 GLN 62 HB3 GLN 62 11.272 -5.005 5.683 489 HG2 GLN 62 HG2 GLN 62 12.375 -2.846 6.016 490 HG3 GLN 62 HG3 GLN 62 10.804 -2.049 6.237 491 HE21 GLN 62 HE21 GLN 62 12.242 -2.723 9.624 492 HE22 GLN 62 HE22 GLN 62 12.714 -1.796 8.218 493 H LYS 63 H LYS 63 12.166 -5.617 3.513 494 HA LYS 63 HA LYS 63 10.762 -6.678 1.282 495 HB2 LYS 63 HB2 LYS 63 12.382 -8.543 1.468 496 HB3 LYS 63 HB3 LYS 63 13.156 -6.949 1.534 497 HG2 LYS 63 HG2 LYS 63 13.270 -7.104 4.007 498 HG3 LYS 63 HG3 LYS 63 12.513 -8.715 3.933 499 HD2 LYS 63 HD2 LYS 63 14.377 -9.527 2.525 500 HD3 LYS 63 HD3 LYS 63 15.140 -7.922 2.612 501 HE2 LYS 63 HE2 LYS 63 15.295 -8.121 5.067 502 HE3 LYS 63 HE3 LYS 63 14.513 -9.714 4.995 503 HZ1 LYS 63 HZ1 LYS 63 17.065 -9.020 3.720 504 HZ2 LYS 63 HZ2 LYS 63 16.897 -9.866 5.126 505 HZ3 LYS 63 HZ3 LYS 63 16.346 -10.503 3.706 506 H GLU 64 H GLU 64 9.069 -7.957 1.141 507 HA GLU 64 HA GLU 64 7.263 -9.189 1.767 508 HB2 GLU 64 HB2 GLU 64 9.498 -10.759 3.112 509 HB3 GLU 64 HB3 GLU 64 7.861 -11.367 2.788 510 HG2 GLU 64 HG2 GLU 64 9.094 -12.145 0.950 511 HG3 GLU 64 HG3 GLU 64 8.292 -10.692 0.324 512 H SER 65 H SER 65 7.605 -6.914 3.462 513 HA SER 65 HA SER 65 6.762 -8.013 6.095 514 HB2 SER 65 HB2 SER 65 7.648 -5.238 5.217 515 HB3 SER 65 HB3 SER 65 7.026 -5.628 6.839 516 HG SER 65 HG SER 65 9.292 -5.764 6.778 517 H THR 66 H THR 66 4.920 -6.718 7.131 518 HA THR 66 HA THR 66 2.782 -6.589 5.095 519 HB THR 66 HB THR 66 2.615 -6.876 8.117 520 HG1 THR 66 HG1 THR 66 2.245 -9.072 7.564 521 HG21 THR 66 HG21 THR 66 0.592 -7.354 5.884 522 HG22 THR 66 HG22 THR 66 0.320 -7.659 7.615 523 HG23 THR 66 HG23 THR 66 0.565 -5.996 7.036 524 H LEU 67 H LEU 67 1.571 -4.814 4.731 525 HA LEU 67 HA LEU 67 2.066 -2.421 6.444 526 HB2 LEU 67 HB2 LEU 67 1.685 -2.792 3.490 527 HB3 LEU 67 HB3 LEU 67 0.935 -1.374 4.248 528 HG LEU 67 HG LEU 67 3.169 -0.857 5.326 529 HD11 LEU 67 HD11 LEU 67 5.174 -1.828 4.252 530 HD12 LEU 67 HD12 LEU 67 4.212 -3.095 5.042 531 HD13 LEU 67 HD13 LEU 67 4.145 -2.896 3.275 532 HD21 LEU 67 HD21 LEU 67 3.027 -0.917 2.282 533 HD22 LEU 67 HD22 LEU 67 2.306 0.325 3.333 534 HD23 LEU 67 HD23 LEU 67 4.073 0.144 3.255 535 H HIS 68 H HIS 68 -0.002 -0.900 6.237 536 HA HIS 68 HA HIS 68 -2.385 -2.643 6.647 537 HB2 HIS 68 HB2 HIS 68 -1.239 -1.858 8.758 538 HB3 HIS 68 HB3 HIS 68 -1.617 -0.199 8.279 539 HD1 HIS 68 HD1 HIS 68 -2.876 -2.358 10.688 540 HD2 HIS 68 HD2 HIS 68 -4.626 -0.469 7.361 541 HE1 HIS 68 HE1 HIS 68 -5.397 -2.313 11.114 542 H LEU 69 H LEU 69 -3.694 -2.188 4.960 543 HA LEU 69 HA LEU 69 -3.749 0.565 3.882 544 HB2 LEU 69 HB2 LEU 69 -3.435 -1.458 2.402 545 HB3 LEU 69 HB3 LEU 69 -5.054 -1.995 2.880 546 HG LEU 69 HG LEU 69 -5.890 0.296 2.037 547 HD11 LEU 69 HD11 LEU 69 -4.452 1.416 0.392 548 HD12 LEU 69 HD12 LEU 69 -3.609 1.341 1.955 549 HD13 LEU 69 HD13 LEU 69 -3.173 0.211 0.655 550 HD21 LEU 69 HD21 LEU 69 -5.930 -0.490 -0.302 551 HD22 LEU 69 HD22 LEU 69 -4.631 -1.652 0.061 552 HD23 LEU 69 HD23 LEU 69 -6.228 -1.832 0.825 553 H ALA 70 H ALA 70 -5.687 1.754 3.711 554 HA ALA 70 HA ALA 70 -8.023 0.684 5.220 555 HB1 ALA 70 HB1 ALA 70 -8.413 2.995 6.018 556 HB2 ALA 70 HB2 ALA 70 -6.838 2.376 6.571 557 HB3 ALA 70 HB3 ALA 70 -6.917 3.524 5.212 558 H LEU 71 H LEU 71 -10.043 1.105 4.283 559 HA LEU 71 HA LEU 71 -9.911 2.378 1.586 560 HB2 LEU 71 HB2 LEU 71 -11.463 -0.061 2.539 561 HB3 LEU 71 HB3 LEU 71 -11.783 0.777 1.016 562 HG LEU 71 HG LEU 71 -10.421 -1.048 0.447 563 HD11 LEU 71 HD11 LEU 71 -8.695 -0.009 -0.697 564 HD12 LEU 71 HD12 LEU 71 -9.737 1.369 -0.313 565 HD13 LEU 71 HD13 LEU 71 -8.285 1.065 0.670 566 HD21 LEU 71 HD21 LEU 71 -9.620 -1.555 2.760 567 HD22 LEU 71 HD22 LEU 71 -8.352 -1.674 1.520 568 HD23 LEU 71 HD23 LEU 71 -8.413 -0.259 2.587 569 H ARG 72 H ARG 72 -12.189 2.979 0.818 570 HA ARG 72 HA ARG 72 -13.332 4.828 2.713 571 HB2 ARG 72 HB2 ARG 72 -14.918 5.268 0.842 572 HB3 ARG 72 HB3 ARG 72 -13.221 5.317 0.309 573 HG2 ARG 72 HG2 ARG 72 -13.381 3.041 -0.561 574 HG3 ARG 72 HG3 ARG 72 -15.034 2.874 0.071 575 HD2 ARG 72 HD2 ARG 72 -14.193 4.976 -1.960 576 HD3 ARG 72 HD3 ARG 72 -14.902 3.406 -2.391 577 HE ARG 72 HE ARG 72 -16.573 4.702 -0.479 578 HH11 ARG 72 HH11 ARG 72 -15.572 4.839 -3.868 579 HH12 ARG 72 HH12 ARG 72 -17.100 5.479 -4.431 580 HH21 ARG 72 HH21 ARG 72 -18.583 5.566 -1.223 581 HH22 ARG 72 HH22 ARG 72 -18.796 5.936 -2.918 582 H LEU 73 H LEU 73 -15.789 4.888 3.003 583 HA LEU 73 HA LEU 73 -16.670 2.361 4.158 584 HB2 LEU 73 HB2 LEU 73 -18.072 5.038 3.757 585 HB3 LEU 73 HB3 LEU 73 -18.686 3.695 4.742 586 HG LEU 73 HG LEU 73 -16.042 5.138 5.221 587 HD11 LEU 73 HD11 LEU 73 -17.204 6.139 7.156 588 HD12 LEU 73 HD12 LEU 73 -18.007 6.585 5.633 589 HD13 LEU 73 HD13 LEU 73 -18.714 5.327 6.676 590 HD21 LEU 73 HD21 LEU 73 -17.596 3.096 6.871 591 HD22 LEU 73 HD22 LEU 73 -16.059 2.799 6.021 592 HD23 LEU 73 HD23 LEU 73 -16.114 3.931 7.391 593 H ARG 74 H ARG 74 -18.919 1.528 3.601 594 HA ARG 74 HA ARG 74 -19.163 1.288 0.685 595 HB2 ARG 74 HB2 ARG 74 -19.378 -0.663 2.266 596 HB3 ARG 74 HB3 ARG 74 -20.873 0.069 2.891 597 HG2 ARG 74 HG2 ARG 74 -21.881 -0.022 0.647 598 HG3 ARG 74 HG3 ARG 74 -20.357 -0.637 -0.033 599 HD2 ARG 74 HD2 ARG 74 -21.911 -2.493 0.323 600 HD3 ARG 74 HD3 ARG 74 -20.528 -2.640 1.427 601 HE ARG 74 HE ARG 74 -22.724 -1.194 2.632 602 HH11 ARG 74 HH11 ARG 74 -21.542 -4.426 1.822 603 HH12 ARG 74 HH12 ARG 74 -22.436 -5.219 3.099 604 HH21 ARG 74 HH21 ARG 74 -23.915 -2.229 4.284 605 HH22 ARG 74 HH22 ARG 74 -23.832 -3.966 4.485 606 H GLY 75 H GLY 75 -20.788 2.787 3.463 607 HA2 GLY 75 HA2 GLY 75 -21.929 4.906 3.011 608 HA3 GLY 75 HA3 GLY 75 -22.632 4.160 1.562 609 H GLY 76 H GLY 76 -22.610 1.677 3.705 610 HA2 GLY 76 HA2 GLY 76 -24.444 2.100 5.713 611 HA3 GLY 76 HA3 GLY 76 -25.437 1.887 4.252 Start of MODEL 7 1 H1 MET 1 H MET 1 11.780 -8.048 -0.892 2 HA MET 1 HA MET 1 12.264 -8.289 -3.803 3 HB2 MET 1 HB2 MET 1 12.923 -10.312 -2.541 4 HB3 MET 1 HB3 MET 1 11.286 -10.406 -1.853 5 HG2 MET 1 HG2 MET 1 10.365 -10.546 -4.163 6 HG3 MET 1 HG3 MET 1 12.012 -10.549 -4.803 7 HE1 MET 1 HE1 MET 1 10.622 -14.181 -5.422 8 HE2 MET 1 HE2 MET 1 9.670 -12.678 -5.392 9 HE3 MET 1 HE3 MET 1 11.270 -12.703 -6.172 10 H GLN 2 H GLN 2 9.697 -9.181 -1.424 11 HA GLN 2 HA GLN 2 7.758 -7.633 -3.075 12 HB2 GLN 2 HB2 GLN 2 7.545 -10.477 -2.024 13 HB3 GLN 2 HB3 GLN 2 6.123 -9.511 -2.479 14 HG2 GLN 2 HG2 GLN 2 7.024 -9.196 -4.743 15 HG3 GLN 2 HG3 GLN 2 8.474 -10.120 -4.312 16 HE21 GLN 2 HE21 GLN 2 5.897 -12.294 -6.082 17 HE22 GLN 2 HE22 GLN 2 6.595 -10.731 -6.450 18 H ILE 3 H ILE 3 5.590 -7.563 -1.692 19 HA ILE 3 HA ILE 3 6.182 -7.293 1.184 20 HB ILE 3 HB ILE 3 5.177 -5.043 1.249 21 HG12 ILE 3 HG12 ILE 3 5.257 -5.215 -1.796 22 HG13 ILE 3 HG13 ILE 3 3.785 -5.285 -0.802 23 HG21 ILE 3 HG21 ILE 3 7.081 -3.833 0.296 24 HG22 ILE 3 HG22 ILE 3 7.643 -5.346 1.037 25 HG23 ILE 3 HG23 ILE 3 7.483 -5.229 -0.731 26 HD11 ILE 3 HD11 ILE 3 5.737 -2.950 -0.966 27 HD12 ILE 3 HD12 ILE 3 4.098 -3.011 -1.650 28 HD13 ILE 3 HD13 ILE 3 4.324 -3.027 0.114 29 H PHE 4 H PHE 4 3.955 -6.645 2.307 30 HA PHE 4 HA PHE 4 1.762 -8.077 0.891 31 HB2 PHE 4 HB2 PHE 4 2.738 -8.472 3.740 32 HB3 PHE 4 HB3 PHE 4 1.222 -9.123 3.102 33 HD1 PHE 4 HD1 PHE 4 1.209 -10.954 1.479 34 HD2 PHE 4 HD2 PHE 4 4.892 -9.400 3.057 35 HE1 PHE 4 HE1 PHE 4 2.417 -12.941 0.618 36 HE2 PHE 4 HE2 PHE 4 6.100 -11.385 2.188 37 HZ PHE 4 HZ PHE 4 4.864 -13.150 0.962 38 H VAL 5 H VAL 5 0.240 -6.565 0.571 39 HA VAL 5 HA VAL 5 -0.224 -4.525 2.678 40 HB VAL 5 HB VAL 5 -1.294 -4.783 -0.168 41 HG11 VAL 5 HG11 VAL 5 -2.049 -2.446 0.203 42 HG12 VAL 5 HG12 VAL 5 -2.826 -3.569 1.341 43 HG13 VAL 5 HG13 VAL 5 -1.482 -2.537 1.887 44 HG21 VAL 5 HG21 VAL 5 0.226 -2.876 -0.629 45 HG22 VAL 5 HG22 VAL 5 0.841 -2.968 1.037 46 HG23 VAL 5 HG23 VAL 5 1.130 -4.310 -0.097 47 H LYS 6 H LYS 6 -1.804 -4.926 4.141 48 HA LYS 6 HA LYS 6 -3.784 -7.023 3.440 49 HB2 LYS 6 HB2 LYS 6 -2.243 -7.323 5.413 50 HB3 LYS 6 HB3 LYS 6 -3.040 -5.930 6.178 51 HG2 LYS 6 HG2 LYS 6 -5.202 -7.095 6.105 52 HG3 LYS 6 HG3 LYS 6 -4.467 -8.448 5.211 53 HD2 LYS 6 HD2 LYS 6 -2.931 -8.854 7.130 54 HD3 LYS 6 HD3 LYS 6 -3.741 -7.552 8.033 55 HE2 LYS 6 HE2 LYS 6 -5.876 -8.770 7.899 56 HE3 LYS 6 HE3 LYS 6 -5.100 -10.052 6.945 57 HZ1 LYS 6 HZ1 LYS 6 -3.685 -10.499 8.810 58 HZ2 LYS 6 HZ2 LYS 6 -4.402 -9.305 9.698 59 HZ3 LYS 6 HZ3 LYS 6 -5.269 -10.634 9.250 60 H THR 7 H THR 7 -5.718 -6.315 2.814 61 HA THR 7 HA THR 7 -6.542 -3.588 3.050 62 HB THR 7 HB THR 7 -8.661 -4.453 2.109 63 HG1 THR 7 HG1 THR 7 -8.870 -6.678 1.841 64 HG21 THR 7 HG21 THR 7 -6.184 -5.760 0.897 65 HG22 THR 7 HG22 THR 7 -7.718 -5.446 0.054 66 HG23 THR 7 HG23 THR 7 -6.716 -4.087 0.609 67 H ALA 8 H ALA 8 -8.883 -3.152 3.939 68 HA ALA 8 HA ALA 8 -8.798 -3.606 6.785 69 HB1 ALA 8 HB1 ALA 8 -10.910 -2.325 6.763 70 HB2 ALA 8 HB2 ALA 8 -9.666 -1.528 5.771 71 HB3 ALA 8 HB3 ALA 8 -10.971 -2.451 4.989 72 H THR 9 H THR 9 -9.904 -5.489 4.140 73 HA THR 9 HA THR 9 -11.999 -6.832 5.730 74 HB THR 9 HB THR 9 -12.321 -8.148 3.623 75 HG1 THR 9 HG1 THR 9 -11.167 -7.378 1.798 76 HG21 THR 9 HG21 THR 9 -12.653 -5.794 2.226 77 HG22 THR 9 HG22 THR 9 -13.802 -6.417 3.444 78 HG23 THR 9 HG23 THR 9 -12.582 -5.204 3.894 79 H GLY 10 H GLY 10 -8.708 -6.847 5.641 80 HA2 GLY 10 HA2 GLY 10 -7.273 -8.300 6.710 81 HA3 GLY 10 HA3 GLY 10 -8.584 -9.489 6.847 82 H LYS 11 H LYS 11 -8.722 -8.647 3.668 83 HA LYS 11 HA LYS 11 -7.397 -11.081 2.835 84 HB2 LYS 11 HB2 LYS 11 -8.646 -8.782 1.276 85 HB3 LYS 11 HB3 LYS 11 -8.033 -10.289 0.553 86 HG2 LYS 11 HG2 LYS 11 -9.568 -11.549 2.147 87 HG3 LYS 11 HG3 LYS 11 -10.314 -9.986 2.547 88 HD2 LYS 11 HD2 LYS 11 -10.933 -9.651 0.192 89 HD3 LYS 11 HD3 LYS 11 -10.077 -11.144 -0.265 90 HE2 LYS 11 HE2 LYS 11 -11.593 -12.423 1.272 91 HE3 LYS 11 HE3 LYS 11 -12.508 -10.930 1.558 92 HZ1 LYS 11 HZ1 LYS 11 -12.118 -12.235 -1.046 93 HZ2 LYS 11 HZ2 LYS 11 -13.496 -12.277 -0.144 94 HZ3 LYS 11 HZ3 LYS 11 -12.976 -10.851 -0.788 95 H THR 12 H THR 12 -5.250 -11.246 2.773 96 HA THR 12 HA THR 12 -3.524 -8.950 2.592 97 HB THR 12 HB THR 12 -2.827 -11.890 2.258 98 HG1 THR 12 HG1 THR 12 -2.663 -11.901 4.499 99 HG21 THR 12 HG21 THR 12 -1.293 -9.486 3.341 100 HG22 THR 12 HG22 THR 12 -0.688 -11.159 3.281 101 HG23 THR 12 HG23 THR 12 -1.016 -10.278 1.771 102 H ILE 13 H ILE 13 -2.205 -8.292 0.886 103 HA ILE 13 HA ILE 13 -2.718 -9.584 -1.744 104 HB ILE 13 HB ILE 13 -2.375 -6.605 -1.235 105 HG12 ILE 13 HG12 ILE 13 -4.902 -8.172 -1.901 106 HG13 ILE 13 HG13 ILE 13 -4.527 -7.453 -0.319 107 HG21 ILE 13 HG21 ILE 13 -3.012 -6.416 -3.604 108 HG22 ILE 13 HG22 ILE 13 -1.598 -7.476 -3.439 109 HG23 ILE 13 HG23 ILE 13 -3.208 -8.182 -3.710 110 HD11 ILE 13 HD11 ILE 13 -5.996 -5.952 -1.581 111 HD12 ILE 13 HD12 ILE 13 -4.392 -5.208 -1.393 112 HD13 ILE 13 HD13 ILE 13 -4.860 -5.943 -2.946 113 H THR 14 H THR 14 -0.842 -10.574 -2.269 114 HA THR 14 HA THR 14 1.738 -9.653 -1.338 115 HB THR 14 HB THR 14 1.037 -11.522 -3.641 116 HG1 THR 14 HG1 THR 14 1.554 -12.100 -0.911 117 HG21 THR 14 HG21 THR 14 3.522 -11.244 -1.894 118 HG22 THR 14 HG22 THR 14 3.277 -12.466 -3.164 119 HG23 THR 14 HG23 THR 14 3.388 -10.744 -3.597 120 H LEU 15 H LEU 15 2.788 -7.882 -2.128 121 HA LEU 15 HA LEU 15 2.052 -7.037 -4.888 122 HB2 LEU 15 HB2 LEU 15 1.225 -5.683 -2.810 123 HB3 LEU 15 HB3 LEU 15 2.907 -5.123 -2.716 124 HG LEU 15 HG LEU 15 2.733 -4.384 -5.117 125 HD11 LEU 15 HD11 LEU 15 1.024 -5.217 -6.342 126 HD12 LEU 15 HD12 LEU 15 0.225 -5.865 -4.885 127 HD13 LEU 15 HD13 LEU 15 -0.073 -4.190 -5.400 128 HD21 LEU 15 HD21 LEU 15 0.627 -3.279 -3.208 129 HD22 LEU 15 HD22 LEU 15 2.347 -2.824 -3.241 130 HD23 LEU 15 HD23 LEU 15 1.297 -2.427 -4.619 131 H GLU 16 H GLU 16 3.691 -5.909 -6.089 132 HA GLU 16 HA GLU 16 6.458 -6.223 -5.083 133 HB2 GLU 16 HB2 GLU 16 5.792 -8.210 -6.460 134 HB3 GLU 16 HB3 GLU 16 5.492 -7.118 -7.829 135 HG2 GLU 16 HG2 GLU 16 7.827 -6.410 -7.826 136 HG3 GLU 16 HG3 GLU 16 8.145 -7.343 -6.348 137 H VAL 17 H VAL 17 7.142 -4.137 -5.023 138 HA VAL 17 HA VAL 17 6.461 -2.409 -7.360 139 HB VAL 17 HB VAL 17 6.349 -0.523 -5.755 140 HG11 VAL 17 HG11 VAL 17 4.201 -1.140 -4.710 141 HG12 VAL 17 HG12 VAL 17 4.286 -1.721 -6.386 142 HG13 VAL 17 HG13 VAL 17 4.525 -2.858 -5.038 143 HG21 VAL 17 HG21 VAL 17 6.257 -0.989 -3.332 144 HG22 VAL 17 HG22 VAL 17 6.597 -2.708 -3.640 145 HG23 VAL 17 HG23 VAL 17 7.827 -1.475 -4.009 146 H GLU 18 H GLU 18 8.005 -0.552 -7.618 147 HA GLU 18 HA GLU 18 10.753 -1.499 -7.313 148 HB2 GLU 18 HB2 GLU 18 9.581 1.093 -8.405 149 HB3 GLU 18 HB3 GLU 18 11.283 0.608 -8.507 150 HG2 GLU 18 HG2 GLU 18 8.892 -0.534 -9.936 151 HG3 GLU 18 HG3 GLU 18 10.462 -0.043 -10.598 152 HA PRO 19 HA PRO 19 11.489 0.334 -3.435 153 HB2 PRO 19 HB2 PRO 19 14.200 1.065 -4.472 154 HB3 PRO 19 HB3 PRO 19 13.760 0.114 -3.017 155 HG2 PRO 19 HG2 PRO 19 14.706 -1.068 -5.302 156 HG3 PRO 19 HG3 PRO 19 13.471 -1.851 -4.262 157 HD2 PRO 19 HD2 PRO 19 13.111 -0.447 -6.891 158 HD3 PRO 19 HD3 PRO 19 12.218 -1.838 -6.202 159 H SER 20 H SER 20 12.036 2.232 -6.378 160 HA SER 20 HA SER 20 11.992 4.701 -4.706 161 HB2 SER 20 HB2 SER 20 13.510 4.186 -7.287 162 HB3 SER 20 HB3 SER 20 13.531 5.687 -6.333 163 HG SER 20 HG SER 20 14.341 3.119 -5.425 164 H ASP 21 H ASP 21 9.838 3.104 -6.366 165 HA ASP 21 HA ASP 21 9.140 5.154 -8.371 166 HB2 ASP 21 HB2 ASP 21 8.103 2.434 -7.596 167 HB3 ASP 21 HB3 ASP 21 7.046 3.560 -8.469 168 H THR 22 H THR 22 9.024 5.055 -5.122 169 HA THR 22 HA THR 22 7.994 6.424 -3.630 170 HB THR 22 HB THR 22 6.121 7.303 -5.860 171 HG1 THR 22 HG1 THR 22 8.276 7.593 -6.474 172 HG21 THR 22 HG21 THR 22 6.052 9.386 -4.502 173 HG22 THR 22 HG22 THR 22 5.436 7.985 -3.602 174 HG23 THR 22 HG23 THR 22 7.074 8.602 -3.275 175 H ILE 23 H ILE 23 6.053 6.493 -2.304 176 HA ILE 23 HA ILE 23 4.768 4.029 -1.983 177 HB ILE 23 HB ILE 23 3.964 6.848 -1.173 178 HG12 ILE 23 HG12 ILE 23 6.140 5.909 -0.305 179 HG13 ILE 23 HG13 ILE 23 4.952 6.295 0.953 180 HG21 ILE 23 HG21 ILE 23 2.572 5.649 0.575 181 HG22 ILE 23 HG22 ILE 23 1.954 5.522 -1.089 182 HG23 ILE 23 HG23 ILE 23 2.818 4.153 -0.354 183 HD11 ILE 23 HD11 ILE 23 6.061 4.104 1.344 184 HD12 ILE 23 HD12 ILE 23 4.306 3.939 1.131 185 HD13 ILE 23 HD13 ILE 23 5.407 3.512 -0.199 186 H GLU 24 H GLU 24 3.984 6.742 -4.110 187 HA GLU 24 HA GLU 24 1.259 6.249 -4.536 188 HB2 GLU 24 HB2 GLU 24 2.523 8.233 -5.313 189 HB3 GLU 24 HB3 GLU 24 3.346 7.224 -6.525 190 HG2 GLU 24 HG2 GLU 24 1.211 6.710 -7.601 191 HG3 GLU 24 HG3 GLU 24 0.326 7.574 -6.326 192 H ASN 25 H ASN 25 4.125 4.545 -5.739 193 HA ASN 25 HA ASN 25 2.794 3.152 -7.855 194 HB2 ASN 25 HB2 ASN 25 5.264 3.493 -7.592 195 HB3 ASN 25 HB3 ASN 25 5.244 2.328 -6.254 196 HD21 ASN 25 HD21 ASN 25 5.338 1.071 -10.123 197 HD22 ASN 25 HD22 ASN 25 5.394 2.760 -9.673 198 H VAL 26 H VAL 26 3.140 2.595 -4.355 199 HA VAL 26 HA VAL 26 2.338 -0.148 -4.391 200 HB VAL 26 HB VAL 26 2.019 1.974 -2.225 201 HG11 VAL 26 HG11 VAL 26 0.655 -0.055 -1.831 202 HG12 VAL 26 HG12 VAL 26 2.098 -1.068 -2.073 203 HG13 VAL 26 HG13 VAL 26 2.013 0.042 -0.686 204 HG21 VAL 26 HG21 VAL 26 4.356 1.740 -3.002 205 HG22 VAL 26 HG22 VAL 26 4.156 1.073 -1.366 206 HG23 VAL 26 HG23 VAL 26 4.259 -0.021 -2.766 207 H LYS 27 H LYS 27 0.605 2.939 -4.514 208 HA LYS 27 HA LYS 27 -1.999 1.705 -4.052 209 HB2 LYS 27 HB2 LYS 27 -1.195 4.459 -5.085 210 HB3 LYS 27 HB3 LYS 27 -2.839 3.967 -4.621 211 HG2 LYS 27 HG2 LYS 27 -2.004 3.456 -2.322 212 HG3 LYS 27 HG3 LYS 27 -0.399 4.059 -2.792 213 HD2 LYS 27 HD2 LYS 27 -2.986 5.677 -2.868 214 HD3 LYS 27 HD3 LYS 27 -1.742 5.785 -1.601 215 HE2 LYS 27 HE2 LYS 27 -0.070 6.441 -3.316 216 HE3 LYS 27 HE3 LYS 27 -1.333 6.376 -4.563 217 HZ1 LYS 27 HZ1 LYS 27 -1.296 8.158 -2.227 218 HZ2 LYS 27 HZ2 LYS 27 -1.001 8.593 -3.789 219 HZ3 LYS 27 HZ3 LYS 27 -2.506 8.081 -3.346 220 H ALA 28 H ALA 28 0.118 2.480 -6.779 221 HA ALA 28 HA ALA 28 -1.973 2.386 -8.762 222 HB1 ALA 28 HB1 ALA 28 0.137 3.641 -9.053 223 HB2 ALA 28 HB2 ALA 28 1.049 2.113 -9.017 224 HB3 ALA 28 HB3 ALA 28 -0.089 2.439 -10.346 225 H LYS 29 H LYS 29 0.390 0.015 -7.443 226 HA LYS 29 HA LYS 29 -0.250 -1.985 -9.413 227 HB2 LYS 29 HB2 LYS 29 1.039 -2.116 -6.663 228 HB3 LYS 29 HB3 LYS 29 0.925 -3.500 -7.770 229 HG2 LYS 29 HG2 LYS 29 2.246 -0.852 -8.502 230 HG3 LYS 29 HG3 LYS 29 3.120 -2.265 -7.873 231 HD2 LYS 29 HD2 LYS 29 2.265 -3.626 -9.766 232 HD3 LYS 29 HD3 LYS 29 1.483 -2.175 -10.438 233 HE2 LYS 29 HE2 LYS 29 3.642 -1.061 -10.651 234 HE3 LYS 29 HE3 LYS 29 4.462 -2.412 -9.841 235 HZ1 LYS 29 HZ1 LYS 29 3.915 -3.809 -11.641 236 HZ2 LYS 29 HZ2 LYS 29 2.993 -2.652 -12.373 237 HZ3 LYS 29 HZ3 LYS 29 4.628 -2.458 -12.256 238 H ILE 30 H ILE 30 -1.767 -0.890 -6.440 239 HA ILE 30 HA ILE 30 -3.395 -3.344 -6.283 240 HB ILE 30 HB ILE 30 -3.305 -0.789 -4.632 241 HG12 ILE 30 HG12 ILE 30 -2.545 -3.669 -3.969 242 HG13 ILE 30 HG13 ILE 30 -1.382 -2.432 -4.489 243 HG21 ILE 30 HG21 ILE 30 -4.947 -3.335 -4.251 244 HG22 ILE 30 HG22 ILE 30 -4.841 -1.991 -3.090 245 HG23 ILE 30 HG23 ILE 30 -5.596 -1.733 -4.675 246 HD11 ILE 30 HD11 ILE 30 -3.166 -2.230 -2.027 247 HD12 ILE 30 HD12 ILE 30 -1.436 -2.644 -2.026 248 HD13 ILE 30 HD13 ILE 30 -1.964 -1.031 -2.556 249 H GLN 31 H GLN 31 -3.458 -0.103 -7.630 250 HA GLN 31 HA GLN 31 -6.298 0.131 -7.947 251 HB2 GLN 31 HB2 GLN 31 -4.742 2.028 -8.183 252 HB3 GLN 31 HB3 GLN 31 -3.979 1.244 -9.583 253 HG2 GLN 31 HG2 GLN 31 -6.152 1.306 -10.784 254 HG3 GLN 31 HG3 GLN 31 -6.887 2.132 -9.394 255 HE21 GLN 31 HE21 GLN 31 -5.357 4.404 -12.219 256 HE22 GLN 31 HE22 GLN 31 -6.075 2.817 -12.382 257 H ASP 32 H ASP 32 -3.687 -1.493 -9.728 258 HA ASP 32 HA ASP 32 -5.356 -2.137 -12.009 259 HB2 ASP 32 HB2 ASP 32 -2.902 -1.830 -12.141 260 HB3 ASP 32 HB3 ASP 32 -2.673 -3.233 -11.080 261 H LYS 33 H LYS 33 -4.581 -3.608 -8.889 262 HA LYS 33 HA LYS 33 -5.556 -6.224 -9.799 263 HB2 LYS 33 HB2 LYS 33 -3.484 -5.958 -8.422 264 HB3 LYS 33 HB3 LYS 33 -4.486 -5.334 -7.094 265 HG2 LYS 33 HG2 LYS 33 -4.071 -7.705 -6.730 266 HG3 LYS 33 HG3 LYS 33 -5.788 -7.486 -7.136 267 HD2 LYS 33 HD2 LYS 33 -5.341 -8.146 -9.467 268 HD3 LYS 33 HD3 LYS 33 -3.601 -8.272 -9.113 269 HE2 LYS 33 HE2 LYS 33 -4.076 -10.042 -7.449 270 HE3 LYS 33 HE3 LYS 33 -5.809 -9.918 -7.812 271 HZ1 LYS 33 HZ1 LYS 33 -4.782 -11.706 -9.000 272 HZ2 LYS 33 HZ2 LYS 33 -5.322 -10.562 -10.058 273 HZ3 LYS 33 HZ3 LYS 33 -3.712 -10.678 -9.723 274 H GLU 34 H GLU 34 -6.271 -3.953 -7.058 275 HA GLU 34 HA GLU 34 -8.743 -5.429 -6.543 276 HB2 GLU 34 HB2 GLU 34 -7.115 -4.447 -4.804 277 HB3 GLU 34 HB3 GLU 34 -7.794 -2.862 -5.226 278 HG2 GLU 34 HG2 GLU 34 -8.936 -3.816 -3.264 279 HG3 GLU 34 HG3 GLU 34 -10.058 -3.688 -4.632 280 H GLY 35 H GLY 35 -7.714 -2.751 -8.452 281 HA2 GLY 35 HA2 GLY 35 -8.963 -1.582 -10.002 282 HA3 GLY 35 HA3 GLY 35 -10.439 -2.311 -9.351 283 H ILE 36 H ILE 36 -9.096 -1.249 -6.599 284 HA ILE 36 HA ILE 36 -10.852 1.006 -6.406 285 HB ILE 36 HB ILE 36 -8.583 0.111 -4.591 286 HG12 ILE 36 HG12 ILE 36 -11.557 -0.543 -4.492 287 HG13 ILE 36 HG13 ILE 36 -10.292 -1.655 -5.058 288 HG21 ILE 36 HG21 ILE 36 -10.161 2.449 -4.531 289 HG22 ILE 36 HG22 ILE 36 -10.911 1.367 -3.347 290 HG23 ILE 36 HG23 ILE 36 -9.188 1.782 -3.194 291 HD11 ILE 36 HD11 ILE 36 -9.180 -1.510 -2.843 292 HD12 ILE 36 HD12 ILE 36 -10.474 -0.429 -2.272 293 HD13 ILE 36 HD13 ILE 36 -10.848 -2.114 -2.703 294 HA PRO 37 HA PRO 37 -7.993 3.941 -8.231 295 HB2 PRO 37 HB2 PRO 37 -10.030 5.896 -7.284 296 HB3 PRO 37 HB3 PRO 37 -9.396 5.643 -8.941 297 HG2 PRO 37 HG2 PRO 37 -11.921 4.857 -8.184 298 HG3 PRO 37 HG3 PRO 37 -10.948 3.950 -9.388 299 HD2 PRO 37 HD2 PRO 37 -11.426 3.323 -6.484 300 HD3 PRO 37 HD3 PRO 37 -11.273 2.213 -7.880 301 HA PRO 38 HA PRO 38 -5.911 5.792 -4.804 302 HB2 PRO 38 HB2 PRO 38 -6.103 8.487 -6.075 303 HB3 PRO 38 HB3 PRO 38 -4.642 7.569 -5.587 304 HG2 PRO 38 HG2 PRO 38 -5.405 7.840 -8.216 305 HG3 PRO 38 HG3 PRO 38 -4.606 6.361 -7.591 306 HD2 PRO 38 HD2 PRO 38 -7.508 6.819 -8.216 307 HD3 PRO 38 HD3 PRO 38 -6.526 5.333 -8.384 308 H ASP 39 H ASP 39 -6.069 7.515 -3.101 309 HA ASP 39 HA ASP 39 -7.120 8.852 -1.628 310 HB2 ASP 39 HB2 ASP 39 -7.789 10.154 -3.660 311 HB3 ASP 39 HB3 ASP 39 -9.316 9.245 -3.684 312 H GLN 40 H GLN 40 -9.379 6.603 -3.320 313 HA GLN 40 HA GLN 40 -11.157 6.395 -1.075 314 HB2 GLN 40 HB2 GLN 40 -10.597 4.588 -3.459 315 HB3 GLN 40 HB3 GLN 40 -11.880 4.280 -2.263 316 HG2 GLN 40 HG2 GLN 40 -12.866 6.497 -2.739 317 HG3 GLN 40 HG3 GLN 40 -11.594 6.810 -3.937 318 HE21 GLN 40 HE21 GLN 40 -13.335 5.235 -6.536 319 HE22 GLN 40 HE22 GLN 40 -12.110 6.373 -6.017 320 H GLN 41 H GLN 41 -7.987 5.210 -1.752 321 HA GLN 41 HA GLN 41 -8.167 3.406 0.607 322 HB2 GLN 41 HB2 GLN 41 -6.403 2.067 -0.407 323 HB3 GLN 41 HB3 GLN 41 -7.750 2.228 -1.555 324 HG2 GLN 41 HG2 GLN 41 -6.531 4.145 -2.632 325 HG3 GLN 41 HG3 GLN 41 -5.157 3.830 -1.553 326 HE21 GLN 41 HE21 GLN 41 -5.653 1.690 -4.965 327 HE22 GLN 41 HE22 GLN 41 -6.662 3.049 -4.531 328 H ARG 42 H ARG 42 -6.185 3.339 1.928 329 HA ARG 42 HA ARG 42 -4.221 5.477 1.490 330 HB2 ARG 42 HB2 ARG 42 -6.426 5.677 3.414 331 HB3 ARG 42 HB3 ARG 42 -4.832 5.775 4.201 332 HG2 ARG 42 HG2 ARG 42 -4.129 7.557 2.710 333 HG3 ARG 42 HG3 ARG 42 -5.612 7.400 1.743 334 HD2 ARG 42 HD2 ARG 42 -5.579 8.130 4.697 335 HD3 ARG 42 HD3 ARG 42 -5.638 9.313 3.373 336 HE ARG 42 HE ARG 42 -7.710 7.239 3.301 337 HH11 ARG 42 HH11 ARG 42 -6.777 10.514 4.268 338 HH12 ARG 42 HH12 ARG 42 -8.422 11.094 4.381 339 HH21 ARG 42 HH21 ARG 42 -9.877 8.014 3.403 340 HH22 ARG 42 HH22 ARG 42 -10.190 9.675 3.852 341 H LEU 43 H LEU 43 -2.245 4.969 2.366 342 HA LEU 43 HA LEU 43 -2.037 2.204 3.392 343 HB2 LEU 43 HB2 LEU 43 -0.204 4.185 2.023 344 HB3 LEU 43 HB3 LEU 43 0.469 2.789 2.887 345 HG LEU 43 HG LEU 43 -1.668 2.538 0.740 346 HD11 LEU 43 HD11 LEU 43 0.420 3.510 -0.181 347 HD12 LEU 43 HD12 LEU 43 1.354 2.180 0.545 348 HD13 LEU 43 HD13 LEU 43 0.174 1.842 -0.745 349 HD21 LEU 43 HD21 LEU 43 -0.904 0.172 0.736 350 HD22 LEU 43 HD22 LEU 43 0.243 0.544 2.044 351 HD23 LEU 43 HD23 LEU 43 -1.509 0.646 2.339 352 H ALA 44 H ALA 44 -0.645 1.680 5.150 353 HA ALA 44 HA ALA 44 0.460 3.816 6.800 354 HB1 ALA 44 HB1 ALA 44 -1.738 1.983 7.846 355 HB2 ALA 44 HB2 ALA 44 -0.774 3.115 8.823 356 HB3 ALA 44 HB3 ALA 44 -1.885 3.736 7.580 357 H PHE 45 H PHE 45 1.600 2.765 8.752 358 HA PHE 45 HA PHE 45 2.321 -0.061 8.268 359 HB2 PHE 45 HB2 PHE 45 3.886 1.509 7.019 360 HB3 PHE 45 HB3 PHE 45 4.403 2.125 8.592 361 HD1 PHE 45 HD1 PHE 45 5.147 0.215 10.322 362 HD2 PHE 45 HD2 PHE 45 5.095 -0.199 6.044 363 HE1 PHE 45 HE1 PHE 45 6.783 -1.640 10.480 364 HE2 PHE 45 HE2 PHE 45 6.736 -2.051 6.205 365 HZ PHE 45 HZ PHE 45 7.579 -2.773 8.422 366 H ALA 46 H ALA 46 1.669 -0.905 10.198 367 HA ALA 46 HA ALA 46 1.470 -1.215 12.443 368 HB1 ALA 46 HB1 ALA 46 3.903 -1.509 12.210 369 HB2 ALA 46 HB2 ALA 46 4.143 0.234 12.488 370 HB3 ALA 46 HB3 ALA 46 3.483 -0.790 13.783 371 H GLY 47 H GLY 47 0.527 1.418 11.167 372 HA2 GLY 47 HA2 GLY 47 -1.013 2.819 12.359 373 HA3 GLY 47 HA3 GLY 47 0.078 2.804 13.757 374 H LYS 48 H LYS 48 2.276 3.085 11.402 375 HA LYS 48 HA LYS 48 2.438 5.990 11.608 376 HB2 LYS 48 HB2 LYS 48 4.044 4.023 9.923 377 HB3 LYS 48 HB3 LYS 48 4.475 5.710 10.274 378 HG2 LYS 48 HG2 LYS 48 4.611 5.172 12.690 379 HG3 LYS 48 HG3 LYS 48 4.181 3.482 12.337 380 HD2 LYS 48 HD2 LYS 48 6.190 3.291 10.881 381 HD3 LYS 48 HD3 LYS 48 6.632 4.965 11.292 382 HE2 LYS 48 HE2 LYS 48 6.762 4.340 13.684 383 HE3 LYS 48 HE3 LYS 48 6.316 2.671 13.273 384 HZ1 LYS 48 HZ1 LYS 48 8.665 2.898 13.506 385 HZ2 LYS 48 HZ2 LYS 48 8.305 2.552 11.935 386 HZ3 LYS 48 HZ3 LYS 48 8.726 4.087 12.366 387 H GLN 49 H GLN 49 1.368 7.375 10.267 388 HA GLN 49 HA GLN 49 -0.115 6.387 8.014 389 HB2 GLN 49 HB2 GLN 49 0.645 9.274 8.563 390 HB3 GLN 49 HB3 GLN 49 -0.776 8.660 7.691 391 HG2 GLN 49 HG2 GLN 49 -1.558 7.590 9.813 392 HG3 GLN 49 HG3 GLN 49 -0.175 8.314 10.661 393 HE21 GLN 49 HE21 GLN 49 -3.493 10.420 10.565 394 HE22 GLN 49 HE22 GLN 49 -3.327 8.678 10.553 395 H LEU 50 H LEU 50 0.700 5.845 6.052 396 HA LEU 50 HA LEU 50 3.383 6.830 5.328 397 HB2 LEU 50 HB2 LEU 50 1.443 4.920 3.959 398 HB3 LEU 50 HB3 LEU 50 3.076 5.297 3.378 399 HG LEU 50 HG LEU 50 2.408 4.040 6.076 400 HD11 LEU 50 HD11 LEU 50 3.609 2.902 3.517 401 HD12 LEU 50 HD12 LEU 50 3.482 2.030 5.062 402 HD13 LEU 50 HD13 LEU 50 2.010 2.515 4.193 403 HD21 LEU 50 HD21 LEU 50 4.462 5.413 6.151 404 HD22 LEU 50 HD22 LEU 50 4.855 3.682 6.222 405 HD23 LEU 50 HD23 LEU 50 5.076 4.580 4.702 406 H GLU 51 H GLU 51 3.787 8.015 3.389 407 HA GLU 51 HA GLU 51 1.460 9.060 1.926 408 HB2 GLU 51 HB2 GLU 51 1.887 10.564 3.909 409 HB3 GLU 51 HB3 GLU 51 3.498 10.902 3.242 410 HG2 GLU 51 HG2 GLU 51 2.511 11.858 1.229 411 HG3 GLU 51 HG3 GLU 51 0.888 11.344 1.735 412 H ASP 52 H ASP 52 2.134 10.082 -0.119 413 HA ASP 52 HA ASP 52 4.543 8.771 -1.156 414 HB2 ASP 52 HB2 ASP 52 3.683 9.585 -3.333 415 HB3 ASP 52 HB3 ASP 52 2.465 8.657 -2.438 416 H GLY 53 H GLY 53 6.045 10.003 -2.574 417 HA2 GLY 53 HA2 GLY 53 6.821 12.259 -3.198 418 HA3 GLY 53 HA3 GLY 53 6.458 12.768 -1.537 419 H ARG 54 H ARG 54 7.561 9.672 -1.182 420 HA ARG 54 HA ARG 54 10.428 10.418 -1.221 421 HB2 ARG 54 HB2 ARG 54 9.585 10.992 1.011 422 HB3 ARG 54 HB3 ARG 54 8.884 9.374 1.187 423 HG2 ARG 54 HG2 ARG 54 11.116 8.360 1.099 424 HG3 ARG 54 HG3 ARG 54 11.855 9.958 0.827 425 HD2 ARG 54 HD2 ARG 54 11.069 10.736 3.002 426 HD3 ARG 54 HD3 ARG 54 10.173 9.222 3.259 427 HE ARG 54 HE ARG 54 12.900 8.579 2.815 428 HH11 ARG 54 HH11 ARG 54 11.045 10.511 5.110 429 HH12 ARG 54 HH12 ARG 54 12.130 10.205 6.446 430 HH21 ARG 54 HH21 ARG 54 14.330 8.185 4.574 431 HH22 ARG 54 HH22 ARG 54 14.003 8.900 6.136 432 H THR 55 H THR 55 11.861 8.580 -1.141 433 HA THR 55 HA THR 55 11.110 6.307 -2.627 434 HB THR 55 HB THR 55 13.340 6.638 -0.571 435 HG1 THR 55 HG1 THR 55 14.518 7.296 -2.420 436 HG21 THR 55 HG21 THR 55 14.514 4.951 -1.910 437 HG22 THR 55 HG22 THR 55 12.961 4.297 -1.340 438 HG23 THR 55 HG23 THR 55 13.134 4.847 -3.024 439 H LEU 56 H LEU 56 9.663 4.770 -2.054 440 HA LEU 56 HA LEU 56 8.604 4.622 0.549 441 HB2 LEU 56 HB2 LEU 56 7.375 2.672 -0.273 442 HB3 LEU 56 HB3 LEU 56 7.397 3.973 -1.477 443 HG LEU 56 HG LEU 56 9.570 2.633 -2.330 444 HD11 LEU 56 HD11 LEU 56 9.400 0.899 -0.534 445 HD12 LEU 56 HD12 LEU 56 7.762 0.501 -1.097 446 HD13 LEU 56 HD13 LEU 56 9.164 0.199 -2.149 447 HD21 LEU 56 HD21 LEU 56 6.659 1.893 -2.848 448 HD22 LEU 56 HD22 LEU 56 7.594 3.162 -3.675 449 HD23 LEU 56 HD23 LEU 56 8.022 1.452 -3.899 450 H SER 57 H SER 57 11.300 2.812 -0.944 451 HA SER 57 HA SER 57 11.317 0.796 1.118 452 HB2 SER 57 HB2 SER 57 13.482 0.172 0.136 453 HB3 SER 57 HB3 SER 57 12.267 0.435 -1.136 454 HG SER 57 HG SER 57 14.340 1.455 -1.499 455 H ASP 58 H ASP 58 12.473 4.082 0.896 456 HA ASP 58 HA ASP 58 14.320 3.678 3.169 457 HB2 ASP 58 HB2 ASP 58 15.004 5.076 1.225 458 HB3 ASP 58 HB3 ASP 58 13.644 6.168 1.557 459 H TYR 59 H TYR 59 11.045 4.457 2.488 460 HA TYR 59 HA TYR 59 10.662 6.303 4.671 461 HB2 TYR 59 HB2 TYR 59 9.337 5.834 2.402 462 HB3 TYR 59 HB3 TYR 59 8.386 4.780 3.453 463 HD1 TYR 59 HD1 TYR 59 7.941 7.631 1.932 464 HD2 TYR 59 HD2 TYR 59 8.440 6.347 6.003 465 HE1 TYR 59 HE1 TYR 59 6.669 9.615 2.708 466 HE2 TYR 59 HE2 TYR 59 7.162 8.316 6.789 467 HH TYR 59 HH TYR 59 6.054 10.226 6.191 468 H ASN 60 H ASN 60 9.072 3.093 4.145 469 HA ASN 60 HA ASN 60 9.701 2.330 6.920 470 HB2 ASN 60 HB2 ASN 60 6.950 3.073 5.912 471 HB3 ASN 60 HB3 ASN 60 7.140 1.815 7.148 472 HD21 ASN 60 HD21 ASN 60 7.155 5.649 8.286 473 HD22 ASN 60 HD22 ASN 60 6.577 5.067 6.742 474 H ILE 61 H ILE 61 8.515 1.637 3.663 475 HA ILE 61 HA ILE 61 7.652 -1.026 4.029 476 HB ILE 61 HB ILE 61 8.819 0.530 1.705 477 HG12 ILE 61 HG12 ILE 61 6.523 -0.103 0.792 478 HG13 ILE 61 HG13 ILE 61 6.133 -0.749 2.400 479 HG21 ILE 61 HG21 ILE 61 8.331 -1.458 0.281 480 HG22 ILE 61 HG22 ILE 61 9.655 -1.762 1.426 481 HG23 ILE 61 HG23 ILE 61 8.030 -2.414 1.751 482 HD11 ILE 61 HD11 ILE 61 5.384 1.653 1.943 483 HD12 ILE 61 HD12 ILE 61 6.376 1.437 3.406 484 HD13 ILE 61 HD13 ILE 61 7.102 2.100 1.922 485 H GLN 62 H GLN 62 8.685 -2.973 4.192 486 HA GLN 62 HA GLN 62 11.649 -2.973 4.000 487 HB2 GLN 62 HB2 GLN 62 9.896 -3.910 6.285 488 HB3 GLN 62 HB3 GLN 62 11.510 -4.604 6.003 489 HG2 GLN 62 HG2 GLN 62 12.526 -2.374 6.136 490 HG3 GLN 62 HG3 GLN 62 10.925 -1.639 6.356 491 HE21 GLN 62 HE21 GLN 62 11.483 -1.784 9.830 492 HE22 GLN 62 HE22 GLN 62 11.268 -0.783 8.410 493 H LYS 63 H LYS 63 12.444 -5.322 3.985 494 HA LYS 63 HA LYS 63 11.341 -6.575 1.727 495 HB2 LYS 63 HB2 LYS 63 12.886 -8.439 2.314 496 HB3 LYS 63 HB3 LYS 63 13.661 -6.844 2.346 497 HG2 LYS 63 HG2 LYS 63 13.421 -6.768 4.812 498 HG3 LYS 63 HG3 LYS 63 12.659 -8.376 4.783 499 HD2 LYS 63 HD2 LYS 63 14.704 -9.311 3.724 500 HD3 LYS 63 HD3 LYS 63 15.472 -7.709 3.822 501 HE2 LYS 63 HE2 LYS 63 15.222 -7.738 6.280 502 HE3 LYS 63 HE3 LYS 63 14.430 -9.324 6.187 503 HZ1 LYS 63 HZ1 LYS 63 17.183 -8.726 5.353 504 HZ2 LYS 63 HZ2 LYS 63 16.737 -9.534 6.718 505 HZ3 LYS 63 HZ3 LYS 63 16.446 -10.197 5.236 506 H GLU 64 H GLU 64 9.571 -7.749 1.449 507 HA GLU 64 HA GLU 64 7.688 -8.943 1.936 508 HB2 GLU 64 HB2 GLU 64 9.800 -10.570 3.406 509 HB3 GLU 64 HB3 GLU 64 8.195 -11.151 2.909 510 HG2 GLU 64 HG2 GLU 64 9.588 -11.863 1.158 511 HG3 GLU 64 HG3 GLU 64 8.853 -10.378 0.525 512 H SER 65 H SER 65 7.830 -6.712 3.650 513 HA SER 65 HA SER 65 7.013 -7.826 6.282 514 HB2 SER 65 HB2 SER 65 7.693 -5.010 5.349 515 HB3 SER 65 HB3 SER 65 7.101 -5.414 6.978 516 HG SER 65 HG SER 65 9.368 -5.374 6.922 517 H THR 66 H THR 66 5.092 -6.637 7.294 518 HA THR 66 HA THR 66 2.933 -6.663 5.273 519 HB THR 66 HB THR 66 2.807 -6.865 8.307 520 HG1 THR 66 HG1 THR 66 2.540 -9.091 7.836 521 HG21 THR 66 HG21 THR 66 0.553 -7.802 7.841 522 HG22 THR 66 HG22 THR 66 0.700 -6.131 7.252 523 HG23 THR 66 HG23 THR 66 0.790 -7.490 6.105 524 H LEU 67 H LEU 67 1.662 -4.931 4.864 525 HA LEU 67 HA LEU 67 2.122 -2.477 6.499 526 HB2 LEU 67 HB2 LEU 67 1.711 -2.961 3.568 527 HB3 LEU 67 HB3 LEU 67 0.936 -1.532 4.282 528 HG LEU 67 HG LEU 67 3.168 -0.926 5.316 529 HD11 LEU 67 HD11 LEU 67 4.160 -3.037 3.348 530 HD12 LEU 67 HD12 LEU 67 5.183 -1.900 4.252 531 HD13 LEU 67 HD13 LEU 67 4.259 -3.144 5.121 532 HD21 LEU 67 HD21 LEU 67 2.266 0.160 3.286 533 HD22 LEU 67 HD22 LEU 67 4.036 0.012 3.200 534 HD23 LEU 67 HD23 LEU 67 3.005 -1.107 2.277 535 H HIS 68 H HIS 68 0.041 -0.996 6.285 536 HA HIS 68 HA HIS 68 -2.324 -2.740 6.778 537 HB2 HIS 68 HB2 HIS 68 -1.155 -1.924 8.857 538 HB3 HIS 68 HB3 HIS 68 -1.513 -0.269 8.349 539 HD1 HIS 68 HD1 HIS 68 -2.804 -2.540 10.717 540 HD2 HIS 68 HD2 HIS 68 -4.479 -0.224 7.632 541 HE1 HIS 68 HE1 HIS 68 -5.285 -2.262 11.277 542 H LEU 69 H LEU 69 -3.696 -2.315 5.130 543 HA LEU 69 HA LEU 69 -3.732 0.404 3.969 544 HB2 LEU 69 HB2 LEU 69 -3.500 -1.658 2.537 545 HB3 LEU 69 HB3 LEU 69 -5.109 -2.163 3.087 546 HG LEU 69 HG LEU 69 -5.966 0.094 2.202 547 HD11 LEU 69 HD11 LEU 69 -3.260 0.003 0.797 548 HD12 LEU 69 HD12 LEU 69 -4.563 1.172 0.485 549 HD13 LEU 69 HD13 LEU 69 -3.719 1.177 2.049 550 HD21 LEU 69 HD21 LEU 69 -6.051 -0.735 -0.118 551 HD22 LEU 69 HD22 LEU 69 -4.733 -1.878 0.234 552 HD23 LEU 69 HD23 LEU 69 -6.311 -2.060 1.037 553 H ALA 70 H ALA 70 -5.664 1.614 3.782 554 HA ALA 70 HA ALA 70 -7.961 0.653 5.417 555 HB1 ALA 70 HB1 ALA 70 -8.289 3.006 6.123 556 HB2 ALA 70 HB2 ALA 70 -6.707 2.385 6.652 557 HB3 ALA 70 HB3 ALA 70 -6.813 3.471 5.246 558 H LEU 71 H LEU 71 -9.996 1.034 4.522 559 HA LEU 71 HA LEU 71 -9.961 2.232 1.787 560 HB2 LEU 71 HB2 LEU 71 -11.493 -0.165 2.877 561 HB3 LEU 71 HB3 LEU 71 -11.871 0.633 1.344 562 HG LEU 71 HG LEU 71 -10.554 -1.232 0.784 563 HD11 LEU 71 HD11 LEU 71 -8.887 -0.247 -0.490 564 HD12 LEU 71 HD12 LEU 71 -9.909 1.147 -0.112 565 HD13 LEU 71 HD13 LEU 71 -8.408 0.884 0.808 566 HD21 LEU 71 HD21 LEU 71 -9.629 -1.641 3.073 567 HD22 LEU 71 HD22 LEU 71 -8.436 -1.828 1.768 568 HD23 LEU 71 HD23 LEU 71 -8.425 -0.366 2.771 569 H ARG 72 H ARG 72 -12.238 2.876 1.096 570 HA ARG 72 HA ARG 72 -13.281 4.770 2.986 571 HB2 ARG 72 HB2 ARG 72 -14.930 5.206 1.189 572 HB3 ARG 72 HB3 ARG 72 -13.272 5.151 0.549 573 HG2 ARG 72 HG2 ARG 72 -13.607 2.824 -0.183 574 HG3 ARG 72 HG3 ARG 72 -15.247 2.824 0.505 575 HD2 ARG 72 HD2 ARG 72 -14.277 4.706 -1.683 576 HD3 ARG 72 HD3 ARG 72 -15.213 3.224 -1.964 577 HE ARG 72 HE ARG 72 -16.719 4.647 -0.131 578 HH11 ARG 72 HH11 ARG 72 -15.382 5.248 -3.350 579 HH12 ARG 72 HH12 ARG 72 -16.659 6.345 -3.823 580 HH21 ARG 72 HH21 ARG 72 -18.417 6.090 -0.765 581 HH22 ARG 72 HH22 ARG 72 -18.382 6.827 -2.349 582 H LEU 73 H LEU 73 -15.721 4.880 3.391 583 HA LEU 73 HA LEU 73 -16.637 2.271 4.433 584 HB2 LEU 73 HB2 LEU 73 -17.756 5.095 4.677 585 HB3 LEU 73 HB3 LEU 73 -18.419 3.658 5.481 586 HG LEU 73 HG LEU 73 -15.603 4.762 5.878 587 HD11 LEU 73 HD11 LEU 73 -16.450 5.378 8.121 588 HD12 LEU 73 HD12 LEU 73 -17.371 6.199 6.838 589 HD13 LEU 73 HD13 LEU 73 -18.069 4.790 7.672 590 HD21 LEU 73 HD21 LEU 73 -17.115 2.501 7.261 591 HD22 LEU 73 HD22 LEU 73 -15.715 2.313 6.177 592 HD23 LEU 73 HD23 LEU 73 -15.522 3.124 7.745 593 H ARG 74 H ARG 74 -19.060 1.811 4.064 594 HA ARG 74 HA ARG 74 -19.532 1.682 1.240 595 HB2 ARG 74 HB2 ARG 74 -20.339 0.018 2.927 596 HB3 ARG 74 HB3 ARG 74 -21.498 1.230 3.524 597 HG2 ARG 74 HG2 ARG 74 -22.592 1.327 1.346 598 HG3 ARG 74 HG3 ARG 74 -21.330 0.304 0.625 599 HD2 ARG 74 HD2 ARG 74 -23.280 -1.070 1.058 600 HD3 ARG 74 HD3 ARG 74 -21.987 -1.542 2.179 601 HE ARG 74 HE ARG 74 -23.993 0.431 3.111 602 HH11 ARG 74 HH11 ARG 74 -22.803 -2.899 3.096 603 HH12 ARG 74 HH12 ARG 74 -23.696 -3.368 4.524 604 HH21 ARG 74 HH21 ARG 74 -25.170 -0.183 4.982 605 HH22 ARG 74 HH22 ARG 74 -25.061 -1.819 5.595 606 H GLY 75 H GLY 75 -20.479 3.908 3.825 607 HA2 GLY 75 HA2 GLY 75 -21.147 6.120 3.523 608 HA3 GLY 75 HA3 GLY 75 -21.449 5.799 1.803 609 H GLY 76 H GLY 76 -22.836 3.251 3.415 610 HA2 GLY 76 HA2 GLY 76 -25.136 4.078 4.671 611 HA3 GLY 76 HA3 GLY 76 -25.512 4.242 2.940 Start of MODEL 8 1 H1 MET 1 H MET 1 11.585 -8.568 -1.590 2 HA MET 1 HA MET 1 11.988 -7.000 -4.071 3 HB2 MET 1 HB2 MET 1 12.834 -9.289 -4.319 4 HB3 MET 1 HB3 MET 1 11.277 -9.939 -3.749 5 HG2 MET 1 HG2 MET 1 10.132 -8.819 -5.638 6 HG3 MET 1 HG3 MET 1 11.683 -8.196 -6.210 7 HE1 MET 1 HE1 MET 1 10.976 -9.097 -8.551 8 HE2 MET 1 HE2 MET 1 10.622 -10.801 -8.923 9 HE3 MET 1 HE3 MET 1 9.495 -9.855 -7.923 10 H GLN 2 H GLN 2 9.636 -8.978 -2.171 11 HA GLN 2 HA GLN 2 7.459 -7.398 -3.470 12 HB2 GLN 2 HB2 GLN 2 7.591 -10.257 -2.438 13 HB3 GLN 2 HB3 GLN 2 6.066 -9.435 -2.837 14 HG2 GLN 2 HG2 GLN 2 6.847 -9.044 -5.136 15 HG3 GLN 2 HG3 GLN 2 8.397 -9.822 -4.756 16 HE21 GLN 2 HE21 GLN 2 6.046 -12.286 -6.427 17 HE22 GLN 2 HE22 GLN 2 6.611 -10.682 -6.847 18 H ILE 3 H ILE 3 5.420 -7.437 -1.979 19 HA ILE 3 HA ILE 3 6.125 -7.269 0.877 20 HB ILE 3 HB ILE 3 5.086 -5.041 1.077 21 HG12 ILE 3 HG12 ILE 3 5.052 -5.095 -1.974 22 HG13 ILE 3 HG13 ILE 3 3.622 -5.214 -0.925 23 HG21 ILE 3 HG21 ILE 3 6.927 -3.753 0.130 24 HG22 ILE 3 HG22 ILE 3 7.553 -5.296 0.749 25 HG23 ILE 3 HG23 ILE 3 7.313 -5.069 -1.000 26 HD11 ILE 3 HD11 ILE 3 5.545 -2.856 -1.096 27 HD12 ILE 3 HD12 ILE 3 3.873 -2.909 -1.695 28 HD13 ILE 3 HD13 ILE 3 4.192 -2.983 0.053 29 H PHE 4 H PHE 4 3.924 -6.695 2.105 30 HA PHE 4 HA PHE 4 1.687 -8.071 0.707 31 HB2 PHE 4 HB2 PHE 4 2.758 -8.608 3.500 32 HB3 PHE 4 HB3 PHE 4 1.213 -9.212 2.889 33 HD1 PHE 4 HD1 PHE 4 1.105 -10.999 1.245 34 HD2 PHE 4 HD2 PHE 4 4.883 -9.497 2.641 35 HE1 PHE 4 HE1 PHE 4 2.249 -12.966 0.262 36 HE2 PHE 4 HE2 PHE 4 6.026 -11.462 1.649 37 HZ PHE 4 HZ PHE 4 4.712 -13.193 0.456 38 H VAL 5 H VAL 5 0.129 -6.564 0.539 39 HA VAL 5 HA VAL 5 -0.182 -4.577 2.722 40 HB VAL 5 HB VAL 5 -1.447 -4.757 -0.048 41 HG11 VAL 5 HG11 VAL 5 -2.130 -2.418 0.418 42 HG12 VAL 5 HG12 VAL 5 -2.838 -3.546 1.596 43 HG13 VAL 5 HG13 VAL 5 -1.438 -2.546 2.052 44 HG21 VAL 5 HG21 VAL 5 0.070 -2.876 -0.591 45 HG22 VAL 5 HG22 VAL 5 0.801 -3.000 1.025 46 HG23 VAL 5 HG23 VAL 5 0.986 -4.332 -0.142 47 H LYS 6 H LYS 6 -1.733 -4.919 4.250 48 HA LYS 6 HA LYS 6 -3.791 -6.963 3.605 49 HB2 LYS 6 HB2 LYS 6 -2.172 -7.322 5.523 50 HB3 LYS 6 HB3 LYS 6 -2.961 -5.958 6.350 51 HG2 LYS 6 HG2 LYS 6 -5.115 -7.124 6.286 52 HG3 LYS 6 HG3 LYS 6 -4.414 -8.422 5.291 53 HD2 LYS 6 HD2 LYS 6 -2.805 -8.915 7.151 54 HD3 LYS 6 HD3 LYS 6 -3.660 -7.722 8.158 55 HE2 LYS 6 HE2 LYS 6 -5.743 -8.997 7.933 56 HE3 LYS 6 HE3 LYS 6 -4.946 -10.165 6.858 57 HZ1 LYS 6 HZ1 LYS 6 -3.959 -9.648 9.561 58 HZ2 LYS 6 HZ2 LYS 6 -5.157 -10.757 9.274 59 HZ3 LYS 6 HZ3 LYS 6 -3.668 -10.941 8.590 60 H THR 7 H THR 7 -5.707 -6.166 3.037 61 HA THR 7 HA THR 7 -6.427 -3.431 3.302 62 HB THR 7 HB THR 7 -8.621 -4.208 2.486 63 HG1 THR 7 HG1 THR 7 -8.950 -6.436 2.288 64 HG21 THR 7 HG21 THR 7 -7.849 -5.325 0.423 65 HG22 THR 7 HG22 THR 7 -6.746 -4.006 0.873 66 HG23 THR 7 HG23 THR 7 -6.291 -5.695 1.195 67 H ALA 8 H ALA 8 -8.635 -2.811 4.318 68 HA ALA 8 HA ALA 8 -8.503 -3.312 7.158 69 HB1 ALA 8 HB1 ALA 8 -10.501 -1.859 7.213 70 HB2 ALA 8 HB2 ALA 8 -9.224 -1.151 6.197 71 HB3 ALA 8 HB3 ALA 8 -10.622 -1.952 5.440 72 H THR 9 H THR 9 -9.754 -5.096 4.542 73 HA THR 9 HA THR 9 -11.941 -6.269 6.152 74 HB THR 9 HB THR 9 -12.478 -7.459 4.031 75 HG1 THR 9 HG1 THR 9 -11.344 -6.755 2.169 76 HG21 THR 9 HG21 THR 9 -12.122 -4.444 3.749 77 HG22 THR 9 HG22 THR 9 -13.238 -5.458 2.805 78 HG23 THR 9 HG23 THR 9 -13.484 -5.257 4.555 79 H GLY 10 H GLY 10 -8.657 -6.592 5.866 80 HA2 GLY 10 HA2 GLY 10 -7.379 -8.190 6.962 81 HA3 GLY 10 HA3 GLY 10 -8.771 -9.288 6.999 82 H LYS 11 H LYS 11 -8.704 -8.222 3.859 83 HA LYS 11 HA LYS 11 -7.596 -10.724 2.913 84 HB2 LYS 11 HB2 LYS 11 -8.462 -8.198 1.446 85 HB3 LYS 11 HB3 LYS 11 -8.037 -9.741 0.674 86 HG2 LYS 11 HG2 LYS 11 -9.841 -10.860 2.003 87 HG3 LYS 11 HG3 LYS 11 -10.316 -9.267 2.642 88 HD2 LYS 11 HD2 LYS 11 -10.723 -8.470 0.328 89 HD3 LYS 11 HD3 LYS 11 -10.244 -10.064 -0.302 90 HE2 LYS 11 HE2 LYS 11 -12.081 -11.099 1.047 91 HE3 LYS 11 HE3 LYS 11 -12.591 -9.474 1.549 92 HZ1 LYS 11 HZ1 LYS 11 -12.500 -10.484 -1.210 93 HZ2 LYS 11 HZ2 LYS 11 -13.858 -10.240 -0.306 94 HZ3 LYS 11 HZ3 LYS 11 -12.935 -8.956 -0.771 95 H THR 12 H THR 12 -5.460 -11.128 2.817 96 HA THR 12 HA THR 12 -3.516 -8.969 2.765 97 HB THR 12 HB THR 12 -3.089 -11.947 2.321 98 HG1 THR 12 HG1 THR 12 -2.812 -12.002 4.579 99 HG21 THR 12 HG21 THR 12 -1.320 -9.727 3.439 100 HG22 THR 12 HG22 THR 12 -0.868 -11.443 3.298 101 HG23 THR 12 HG23 THR 12 -1.159 -10.478 1.833 102 H ILE 13 H ILE 13 -2.334 -8.243 1.011 103 HA ILE 13 HA ILE 13 -2.910 -9.520 -1.611 104 HB ILE 13 HB ILE 13 -2.698 -6.534 -1.083 105 HG12 ILE 13 HG12 ILE 13 -5.155 -8.248 -1.652 106 HG13 ILE 13 HG13 ILE 13 -4.757 -7.503 -0.089 107 HG21 ILE 13 HG21 ILE 13 -3.447 -6.355 -3.420 108 HG22 ILE 13 HG22 ILE 13 -1.967 -7.332 -3.330 109 HG23 ILE 13 HG23 ILE 13 -3.544 -8.128 -3.543 110 HD11 ILE 13 HD11 ILE 13 -6.374 -6.107 -1.281 111 HD12 ILE 13 HD12 ILE 13 -4.817 -5.256 -1.162 112 HD13 ILE 13 HD13 ILE 13 -5.302 -6.021 -2.695 113 H THR 14 H THR 14 -1.030 -10.446 -2.197 114 HA THR 14 HA THR 14 1.548 -9.459 -1.374 115 HB THR 14 HB THR 14 0.839 -11.326 -3.675 116 HG1 THR 14 HG1 THR 14 1.144 -12.938 -2.053 117 HG21 THR 14 HG21 THR 14 3.316 -11.045 -1.916 118 HG22 THR 14 HG22 THR 14 3.092 -12.240 -3.215 119 HG23 THR 14 HG23 THR 14 3.182 -10.507 -3.606 120 H LEU 15 H LEU 15 2.576 -7.698 -2.200 121 HA LEU 15 HA LEU 15 1.737 -6.816 -4.921 122 HB2 LEU 15 HB2 LEU 15 1.129 -5.469 -2.720 123 HB3 LEU 15 HB3 LEU 15 2.814 -4.927 -2.841 124 HG LEU 15 HG LEU 15 2.315 -4.237 -5.238 125 HD11 LEU 15 HD11 LEU 15 -0.122 -3.944 -5.773 126 HD12 LEU 15 HD12 LEU 15 0.342 -5.652 -5.622 127 HD13 LEU 15 HD13 LEU 15 -0.525 -4.844 -4.295 128 HD21 LEU 15 HD21 LEU 15 0.640 -2.988 -3.016 129 HD22 LEU 15 HD22 LEU 15 2.346 -2.626 -3.366 130 HD23 LEU 15 HD23 LEU 15 1.087 -2.195 -4.544 131 H GLU 16 H GLU 16 3.387 -5.682 -6.178 132 HA GLU 16 HA GLU 16 6.171 -6.218 -5.312 133 HB2 GLU 16 HB2 GLU 16 5.376 -8.108 -6.719 134 HB3 GLU 16 HB3 GLU 16 5.007 -6.963 -8.026 135 HG2 GLU 16 HG2 GLU 16 7.365 -6.301 -8.152 136 HG3 GLU 16 HG3 GLU 16 7.754 -7.330 -6.758 137 H VAL 17 H VAL 17 6.929 -4.152 -5.148 138 HA VAL 17 HA VAL 17 6.535 -2.415 -7.530 139 HB VAL 17 HB VAL 17 6.366 -0.473 -6.001 140 HG11 VAL 17 HG11 VAL 17 4.307 -2.650 -5.440 141 HG12 VAL 17 HG12 VAL 17 4.065 -0.899 -5.242 142 HG13 VAL 17 HG13 VAL 17 4.324 -1.582 -6.863 143 HG21 VAL 17 HG21 VAL 17 5.958 -0.849 -3.598 144 HG22 VAL 17 HG22 VAL 17 6.207 -2.596 -3.817 145 HG23 VAL 17 HG23 VAL 17 7.557 -1.464 -4.069 146 H GLU 18 H GLU 18 8.222 -0.704 -7.702 147 HA GLU 18 HA GLU 18 10.840 -1.807 -7.079 148 HB2 GLU 18 HB2 GLU 18 9.944 0.809 -8.365 149 HB3 GLU 18 HB3 GLU 18 11.626 0.261 -8.239 150 HG2 GLU 18 HG2 GLU 18 9.382 -0.886 -9.893 151 HG3 GLU 18 HG3 GLU 18 11.023 -0.438 -10.393 152 HA PRO 19 HA PRO 19 11.596 0.109 -3.253 153 HB2 PRO 19 HB2 PRO 19 14.292 0.884 -4.295 154 HB3 PRO 19 HB3 PRO 19 13.875 -0.085 -2.847 155 HG2 PRO 19 HG2 PRO 19 14.841 -1.227 -5.147 156 HG3 PRO 19 HG3 PRO 19 13.631 -2.049 -4.107 157 HD2 PRO 19 HD2 PRO 19 13.229 -0.623 -6.716 158 HD3 PRO 19 HD3 PRO 19 12.375 -2.048 -6.047 159 H SER 20 H SER 20 12.071 2.004 -6.202 160 HA SER 20 HA SER 20 12.034 4.489 -4.553 161 HB2 SER 20 HB2 SER 20 13.504 3.965 -7.162 162 HB3 SER 20 HB3 SER 20 13.538 5.469 -6.212 163 HG SER 20 HG SER 20 15.320 4.188 -5.707 164 H ASP 21 H ASP 21 9.845 2.876 -6.100 165 HA ASP 21 HA ASP 21 9.122 4.827 -8.186 166 HB2 ASP 21 HB2 ASP 21 8.105 2.150 -7.271 167 HB3 ASP 21 HB3 ASP 21 7.004 3.237 -8.139 168 H THR 22 H THR 22 9.028 4.880 -4.930 169 HA THR 22 HA THR 22 8.062 6.378 -3.521 170 HB THR 22 HB THR 22 6.201 7.160 -5.800 171 HG1 THR 22 HG1 THR 22 8.331 7.444 -6.432 172 HG21 THR 22 HG21 THR 22 6.122 9.304 -4.556 173 HG22 THR 22 HG22 THR 22 5.492 7.956 -3.585 174 HG23 THR 22 HG23 THR 22 7.129 8.585 -3.276 175 H ILE 23 H ILE 23 6.237 6.485 -2.101 176 HA ILE 23 HA ILE 23 4.850 4.085 -1.713 177 HB ILE 23 HB ILE 23 4.242 6.937 -0.843 178 HG12 ILE 23 HG12 ILE 23 6.399 5.889 -0.082 179 HG13 ILE 23 HG13 ILE 23 5.287 6.290 1.240 180 HG21 ILE 23 HG21 ILE 23 2.875 5.797 0.965 181 HG22 ILE 23 HG22 ILE 23 2.167 5.724 -0.666 182 HG23 ILE 23 HG23 ILE 23 2.988 4.300 0.012 183 HD11 ILE 23 HD11 ILE 23 6.315 4.048 1.533 184 HD12 ILE 23 HD12 ILE 23 4.548 3.955 1.383 185 HD13 ILE 23 HD13 ILE 23 5.582 3.521 0.002 186 H GLU 24 H GLU 24 4.049 6.871 -3.755 187 HA GLU 24 HA GLU 24 1.289 6.446 -4.051 188 HB2 GLU 24 HB2 GLU 24 2.490 8.436 -4.850 189 HB3 GLU 24 HB3 GLU 24 3.329 7.455 -6.073 190 HG2 GLU 24 HG2 GLU 24 1.198 6.909 -7.148 191 HG3 GLU 24 HG3 GLU 24 0.303 7.755 -5.870 192 H ASN 25 H ASN 25 4.065 4.751 -5.491 193 HA ASN 25 HA ASN 25 2.555 3.477 -7.563 194 HB2 ASN 25 HB2 ASN 25 5.045 3.798 -7.498 195 HB3 ASN 25 HB3 ASN 25 5.128 2.547 -6.240 196 HD21 ASN 25 HD21 ASN 25 4.168 1.548 -10.159 197 HD22 ASN 25 HD22 ASN 25 3.976 3.189 -9.582 198 H VAL 26 H VAL 26 3.107 2.781 -4.132 199 HA VAL 26 HA VAL 26 2.390 0.019 -4.211 200 HB VAL 26 HB VAL 26 2.066 2.084 -1.992 201 HG11 VAL 26 HG11 VAL 26 0.752 0.025 -1.607 202 HG12 VAL 26 HG12 VAL 26 2.201 -0.960 -1.918 203 HG13 VAL 26 HG13 VAL 26 2.140 0.111 -0.499 204 HG21 VAL 26 HG21 VAL 26 4.330 0.146 -2.633 205 HG22 VAL 26 HG22 VAL 26 4.389 1.913 -2.830 206 HG23 VAL 26 HG23 VAL 26 4.243 1.204 -1.205 207 H LYS 27 H LYS 27 0.545 3.053 -4.153 208 HA LYS 27 HA LYS 27 -2.005 1.697 -3.727 209 HB2 LYS 27 HB2 LYS 27 -1.297 4.533 -4.591 210 HB3 LYS 27 HB3 LYS 27 -2.928 3.963 -4.172 211 HG2 LYS 27 HG2 LYS 27 -2.088 3.321 -1.908 212 HG3 LYS 27 HG3 LYS 27 -0.501 4.006 -2.324 213 HD2 LYS 27 HD2 LYS 27 -3.132 5.551 -2.333 214 HD3 LYS 27 HD3 LYS 27 -1.929 5.593 -1.025 215 HE2 LYS 27 HE2 LYS 27 -0.228 6.431 -2.621 216 HE3 LYS 27 HE3 LYS 27 -1.440 6.414 -3.918 217 HZ1 LYS 27 HZ1 LYS 27 -1.603 8.011 -1.456 218 HZ2 LYS 27 HZ2 LYS 27 -1.186 8.581 -2.947 219 HZ3 LYS 27 HZ3 LYS 27 -2.708 8.005 -2.679 220 H ALA 28 H ALA 28 0.043 2.693 -6.426 221 HA ALA 28 HA ALA 28 -2.002 2.735 -8.417 222 HB1 ALA 28 HB1 ALA 28 0.216 3.826 -8.645 223 HB2 ALA 28 HB2 ALA 28 0.990 2.224 -8.684 224 HB3 ALA 28 HB3 ALA 28 -0.113 2.711 -9.991 225 H LYS 29 H LYS 29 0.158 0.151 -7.163 226 HA LYS 29 HA LYS 29 -0.710 -1.731 -9.195 227 HB2 LYS 29 HB2 LYS 29 0.872 -1.981 -6.612 228 HB3 LYS 29 HB3 LYS 29 0.522 -3.362 -7.674 229 HG2 LYS 29 HG2 LYS 29 1.927 -0.824 -8.605 230 HG3 LYS 29 HG3 LYS 29 2.764 -2.306 -8.088 231 HD2 LYS 29 HD2 LYS 29 1.492 -3.587 -9.822 232 HD3 LYS 29 HD3 LYS 29 0.803 -2.054 -10.407 233 HE2 LYS 29 HE2 LYS 29 3.048 -1.202 -10.896 234 HE3 LYS 29 HE3 LYS 29 3.779 -2.679 -10.234 235 HZ1 LYS 29 HZ1 LYS 29 2.782 -3.927 -11.951 236 HZ2 LYS 29 HZ2 LYS 29 1.941 -2.624 -12.524 237 HZ3 LYS 29 HZ3 LYS 29 3.587 -2.671 -12.645 238 H ILE 30 H ILE 30 -1.943 -0.651 -6.100 239 HA ILE 30 HA ILE 30 -3.551 -3.073 -5.728 240 HB ILE 30 HB ILE 30 -3.520 -0.355 -4.353 241 HG12 ILE 30 HG12 ILE 30 -2.625 -3.099 -3.369 242 HG13 ILE 30 HG13 ILE 30 -1.521 -1.905 -4.079 243 HG21 ILE 30 HG21 ILE 30 -5.024 -2.918 -3.657 244 HG22 ILE 30 HG22 ILE 30 -4.972 -1.445 -2.661 245 HG23 ILE 30 HG23 ILE 30 -5.761 -1.412 -4.252 246 HD11 ILE 30 HD11 ILE 30 -3.257 -1.444 -1.614 247 HD12 ILE 30 HD12 ILE 30 -1.510 -1.781 -1.606 248 HD13 ILE 30 HD13 ILE 30 -2.124 -0.276 -2.327 249 H GLN 31 H GLN 31 -3.829 0.184 -7.128 250 HA GLN 31 HA GLN 31 -6.667 0.136 -7.523 251 HB2 GLN 31 HB2 GLN 31 -5.241 2.179 -7.691 252 HB3 GLN 31 HB3 GLN 31 -4.491 1.506 -9.158 253 HG2 GLN 31 HG2 GLN 31 -6.748 1.380 -10.216 254 HG3 GLN 31 HG3 GLN 31 -7.449 2.127 -8.769 255 HE21 GLN 31 HE21 GLN 31 -6.909 4.814 -11.306 256 HE22 GLN 31 HE22 GLN 31 -7.876 3.362 -11.164 257 H ASP 32 H ASP 32 -3.872 -1.227 -9.222 258 HA ASP 32 HA ASP 32 -5.369 -1.953 -11.600 259 HB2 ASP 32 HB2 ASP 32 -2.945 -1.469 -11.617 260 HB3 ASP 32 HB3 ASP 32 -2.658 -2.844 -10.536 261 H LYS 33 H LYS 33 -4.693 -3.370 -8.441 262 HA LYS 33 HA LYS 33 -5.387 -6.059 -9.376 263 HB2 LYS 33 HB2 LYS 33 -3.508 -5.593 -7.778 264 HB3 LYS 33 HB3 LYS 33 -4.704 -5.038 -6.590 265 HG2 LYS 33 HG2 LYS 33 -4.131 -7.359 -6.124 266 HG3 LYS 33 HG3 LYS 33 -5.805 -7.296 -6.719 267 HD2 LYS 33 HD2 LYS 33 -5.068 -7.971 -8.960 268 HD3 LYS 33 HD3 LYS 33 -3.366 -7.905 -8.447 269 HE2 LYS 33 HE2 LYS 33 -3.788 -9.684 -6.791 270 HE3 LYS 33 HE3 LYS 33 -5.495 -9.744 -7.277 271 HZ1 LYS 33 HZ1 LYS 33 -4.168 -11.443 -8.325 272 HZ2 LYS 33 HZ2 LYS 33 -4.814 -10.420 -9.441 273 HZ3 LYS 33 HZ3 LYS 33 -3.216 -10.303 -9.045 274 H GLU 34 H GLU 34 -6.527 -3.882 -6.715 275 HA GLU 34 HA GLU 34 -8.964 -5.479 -6.516 276 HB2 GLU 34 HB2 GLU 34 -7.598 -4.534 -4.570 277 HB3 GLU 34 HB3 GLU 34 -8.247 -2.940 -5.010 278 HG2 GLU 34 HG2 GLU 34 -9.605 -4.015 -3.240 279 HG3 GLU 34 HG3 GLU 34 -10.549 -3.797 -4.725 280 H GLY 35 H GLY 35 -7.901 -2.690 -8.243 281 HA2 GLY 35 HA2 GLY 35 -9.110 -1.550 -9.866 282 HA3 GLY 35 HA3 GLY 35 -10.595 -2.326 -9.296 283 H ILE 36 H ILE 36 -9.344 -1.260 -6.477 284 HA ILE 36 HA ILE 36 -11.185 0.928 -6.291 285 HB ILE 36 HB ILE 36 -8.905 0.101 -4.454 286 HG12 ILE 36 HG12 ILE 36 -11.864 -0.632 -4.406 287 HG13 ILE 36 HG13 ILE 36 -10.559 -1.705 -4.953 288 HG21 ILE 36 HG21 ILE 36 -11.422 1.747 -3.939 289 HG22 ILE 36 HG22 ILE 36 -10.196 1.304 -2.728 290 HG23 ILE 36 HG23 ILE 36 -9.771 2.400 -4.057 291 HD11 ILE 36 HD11 ILE 36 -10.861 -0.527 -2.159 292 HD12 ILE 36 HD12 ILE 36 -11.128 -2.219 -2.629 293 HD13 ILE 36 HD13 ILE 36 -9.492 -1.524 -2.708 294 HA PRO 37 HA PRO 37 -8.470 3.922 -8.198 295 HB2 PRO 37 HB2 PRO 37 -10.514 5.819 -7.124 296 HB3 PRO 37 HB3 PRO 37 -9.907 5.642 -8.802 297 HG2 PRO 37 HG2 PRO 37 -12.387 4.747 -8.043 298 HG3 PRO 37 HG3 PRO 37 -11.392 3.888 -9.263 299 HD2 PRO 37 HD2 PRO 37 -11.837 3.207 -6.367 300 HD3 PRO 37 HD3 PRO 37 -11.643 2.122 -7.777 301 HA PRO 38 HA PRO 38 -6.187 5.746 -4.902 302 HB2 PRO 38 HB2 PRO 38 -6.384 8.424 -6.208 303 HB3 PRO 38 HB3 PRO 38 -4.921 7.483 -5.776 304 HG2 PRO 38 HG2 PRO 38 -5.791 7.722 -8.369 305 HG3 PRO 38 HG3 PRO 38 -5.023 6.223 -7.753 306 HD2 PRO 38 HD2 PRO 38 -7.939 6.799 -8.220 307 HD3 PRO 38 HD3 PRO 38 -7.027 5.277 -8.457 308 H ASP 39 H ASP 39 -6.228 7.514 -3.226 309 HA ASP 39 HA ASP 39 -7.209 8.876 -1.718 310 HB2 ASP 39 HB2 ASP 39 -8.001 10.117 -3.769 311 HB3 ASP 39 HB3 ASP 39 -9.529 9.221 -3.642 312 H GLN 40 H GLN 40 -9.412 6.516 -3.267 313 HA GLN 40 HA GLN 40 -11.178 6.322 -1.006 314 HB2 GLN 40 HB2 GLN 40 -10.576 4.499 -3.370 315 HB3 GLN 40 HB3 GLN 40 -11.850 4.171 -2.172 316 HG2 GLN 40 HG2 GLN 40 -12.922 6.324 -2.685 317 HG3 GLN 40 HG3 GLN 40 -11.633 6.712 -3.840 318 HE21 GLN 40 HE21 GLN 40 -13.540 5.352 -6.446 319 HE22 GLN 40 HE22 GLN 40 -12.572 6.671 -5.825 320 H GLN 41 H GLN 41 -7.982 5.210 -1.694 321 HA GLN 41 HA GLN 41 -8.103 3.383 0.652 322 HB2 GLN 41 HB2 GLN 41 -6.317 2.096 -0.383 323 HB3 GLN 41 HB3 GLN 41 -7.676 2.237 -1.520 324 HG2 GLN 41 HG2 GLN 41 -6.510 4.155 -2.622 325 HG3 GLN 41 HG3 GLN 41 -5.134 3.923 -1.524 326 HE21 GLN 41 HE21 GLN 41 -5.489 1.693 -4.896 327 HE22 GLN 41 HE22 GLN 41 -6.557 3.022 -4.510 328 H ARG 42 H ARG 42 -6.090 3.308 1.936 329 HA ARG 42 HA ARG 42 -4.182 5.495 1.571 330 HB2 ARG 42 HB2 ARG 42 -6.473 5.752 3.308 331 HB3 ARG 42 HB3 ARG 42 -4.992 5.715 4.293 332 HG2 ARG 42 HG2 ARG 42 -4.108 7.622 3.278 333 HG3 ARG 42 HG3 ARG 42 -5.046 7.395 1.785 334 HD2 ARG 42 HD2 ARG 42 -6.340 8.067 4.448 335 HD3 ARG 42 HD3 ARG 42 -5.815 9.301 3.284 336 HE ARG 42 HE ARG 42 -7.314 8.036 1.627 337 HH11 ARG 42 HH11 ARG 42 -7.952 8.304 5.097 338 HH12 ARG 42 HH12 ARG 42 -9.687 8.196 4.916 339 HH21 ARG 42 HH21 ARG 42 -9.584 7.866 1.397 340 HH22 ARG 42 HH22 ARG 42 -10.618 7.905 2.808 341 H LEU 43 H LEU 43 -2.230 5.102 2.636 342 HA LEU 43 HA LEU 43 -1.978 2.296 3.564 343 HB2 LEU 43 HB2 LEU 43 -0.146 4.357 2.302 344 HB3 LEU 43 HB3 LEU 43 0.516 2.930 3.119 345 HG LEU 43 HG LEU 43 -1.553 2.765 0.908 346 HD11 LEU 43 HD11 LEU 43 0.538 3.778 0.061 347 HD12 LEU 43 HD12 LEU 43 1.474 2.435 0.762 348 HD13 LEU 43 HD13 LEU 43 0.325 2.126 -0.563 349 HD21 LEU 43 HD21 LEU 43 0.351 0.554 1.523 350 HD22 LEU 43 HD22 LEU 43 -0.925 0.859 2.741 351 HD23 LEU 43 HD23 LEU 43 -1.346 0.490 1.055 352 H ALA 44 H ALA 44 -0.588 1.795 5.361 353 HA ALA 44 HA ALA 44 0.494 3.914 7.012 354 HB1 ALA 44 HB1 ALA 44 -0.830 3.358 9.022 355 HB2 ALA 44 HB2 ALA 44 -1.877 3.976 7.723 356 HB3 ALA 44 HB3 ALA 44 -1.818 2.230 8.065 357 H PHE 45 H PHE 45 1.608 2.945 8.963 358 HA PHE 45 HA PHE 45 2.066 0.040 8.792 359 HB2 PHE 45 HB2 PHE 45 3.737 1.206 7.307 360 HB3 PHE 45 HB3 PHE 45 4.353 2.036 8.742 361 HD1 PHE 45 HD1 PHE 45 5.086 0.483 10.737 362 HD2 PHE 45 HD2 PHE 45 4.616 -0.861 6.684 363 HE1 PHE 45 HE1 PHE 45 6.543 -1.464 11.212 364 HE2 PHE 45 HE2 PHE 45 6.074 -2.808 7.159 365 HZ PHE 45 HZ PHE 45 7.043 -3.107 9.423 366 H ALA 46 H ALA 46 1.475 -0.541 10.817 367 HA ALA 46 HA ALA 46 1.314 -0.562 13.087 368 HB1 ALA 46 HB1 ALA 46 3.712 -1.077 12.829 369 HB2 ALA 46 HB2 ALA 46 4.092 0.660 12.912 370 HB3 ALA 46 HB3 ALA 46 3.391 -0.165 14.323 371 H GLY 47 H GLY 47 0.557 1.976 11.527 372 HA2 GLY 47 HA2 GLY 47 -0.827 3.639 12.525 373 HA3 GLY 47 HA3 GLY 47 0.230 3.656 13.949 374 H LYS 48 H LYS 48 2.474 3.519 11.627 375 HA LYS 48 HA LYS 48 2.984 6.372 11.695 376 HB2 LYS 48 HB2 LYS 48 4.326 4.142 10.109 377 HB3 LYS 48 HB3 LYS 48 4.971 5.776 10.376 378 HG2 LYS 48 HG2 LYS 48 5.015 5.359 12.819 379 HG3 LYS 48 HG3 LYS 48 4.371 3.723 12.552 380 HD2 LYS 48 HD2 LYS 48 6.361 3.186 11.158 381 HD3 LYS 48 HD3 LYS 48 7.013 4.810 11.486 382 HE2 LYS 48 HE2 LYS 48 6.996 4.317 13.915 383 HE3 LYS 48 HE3 LYS 48 6.355 2.695 13.580 384 HZ1 LYS 48 HZ1 LYS 48 8.708 2.642 13.875 385 HZ2 LYS 48 HZ2 LYS 48 8.346 2.258 12.312 386 HZ3 LYS 48 HZ3 LYS 48 8.943 3.751 12.677 387 H GLN 49 H GLN 49 2.233 7.845 10.301 388 HA GLN 49 HA GLN 49 0.552 7.079 8.092 389 HB2 GLN 49 HB2 GLN 49 1.751 9.810 8.647 390 HB3 GLN 49 HB3 GLN 49 0.240 9.436 7.792 391 HG2 GLN 49 HG2 GLN 49 -0.749 8.592 9.885 392 HG3 GLN 49 HG3 GLN 49 0.781 8.865 10.742 393 HE21 GLN 49 HE21 GLN 49 -1.483 12.154 9.579 394 HE22 GLN 49 HE22 GLN 49 -1.599 10.655 8.686 395 H LEU 50 H LEU 50 1.218 6.460 6.109 396 HA LEU 50 HA LEU 50 3.984 7.109 5.288 397 HB2 LEU 50 HB2 LEU 50 1.838 5.393 3.968 398 HB3 LEU 50 HB3 LEU 50 3.527 5.547 3.436 399 HG LEU 50 HG LEU 50 2.603 4.468 6.136 400 HD11 LEU 50 HD11 LEU 50 3.829 3.085 3.714 401 HD12 LEU 50 HD12 LEU 50 3.447 2.315 5.272 402 HD13 LEU 50 HD13 LEU 50 2.139 2.946 4.250 403 HD21 LEU 50 HD21 LEU 50 4.784 5.579 6.318 404 HD22 LEU 50 HD22 LEU 50 4.996 3.816 6.383 405 HD23 LEU 50 HD23 LEU 50 5.375 4.700 4.886 406 H GLU 51 H GLU 51 4.380 8.134 3.213 407 HA GLU 51 HA GLU 51 2.081 9.541 2.027 408 HB2 GLU 51 HB2 GLU 51 2.980 10.951 3.918 409 HB3 GLU 51 HB3 GLU 51 4.531 11.027 3.059 410 HG2 GLU 51 HG2 GLU 51 3.477 12.144 1.163 411 HG3 GLU 51 HG3 GLU 51 1.868 11.920 1.879 412 H ASP 52 H ASP 52 2.574 10.426 -0.071 413 HA ASP 52 HA ASP 52 4.695 8.913 -1.427 414 HB2 ASP 52 HB2 ASP 52 3.665 9.734 -3.474 415 HB3 ASP 52 HB3 ASP 52 2.427 9.050 -2.407 416 H GLY 53 H GLY 53 6.114 10.052 -3.021 417 HA2 GLY 53 HA2 GLY 53 7.191 12.073 -3.742 418 HA3 GLY 53 HA3 GLY 53 6.755 12.836 -2.198 419 H ARG 54 H ARG 54 7.664 9.661 -1.559 420 HA ARG 54 HA ARG 54 10.531 10.361 -1.250 421 HB2 ARG 54 HB2 ARG 54 9.434 10.947 0.856 422 HB3 ARG 54 HB3 ARG 54 8.652 9.354 0.927 423 HG2 ARG 54 HG2 ARG 54 10.837 8.256 1.114 424 HG3 ARG 54 HG3 ARG 54 11.664 9.826 0.962 425 HD2 ARG 54 HD2 ARG 54 10.665 10.610 3.032 426 HD3 ARG 54 HD3 ARG 54 9.643 9.161 3.137 427 HE ARG 54 HE ARG 54 12.487 8.561 3.038 428 HH11 ARG 54 HH11 ARG 54 9.776 9.463 5.125 429 HH12 ARG 54 HH12 ARG 54 10.456 8.717 6.553 430 HH21 ARG 54 HH21 ARG 54 13.376 7.577 4.921 431 HH22 ARG 54 HH22 ARG 54 12.506 7.643 6.439 432 H THR 55 H THR 55 11.918 8.537 -1.038 433 HA THR 55 HA THR 55 11.274 6.239 -2.561 434 HB THR 55 HB THR 55 13.410 6.625 -0.409 435 HG1 THR 55 HG1 THR 55 14.634 7.374 -2.139 436 HG21 THR 55 HG21 THR 55 13.407 4.328 -1.000 437 HG22 THR 55 HG22 THR 55 13.036 4.681 -2.713 438 HG23 THR 55 HG23 THR 55 14.643 5.044 -2.045 439 H LEU 56 H LEU 56 9.821 4.693 -2.028 440 HA LEU 56 HA LEU 56 8.719 4.529 0.575 441 HB2 LEU 56 HB2 LEU 56 7.503 2.580 -0.293 442 HB3 LEU 56 HB3 LEU 56 7.501 3.925 -1.445 443 HG LEU 56 HG LEU 56 9.665 2.656 -2.387 444 HD11 LEU 56 HD11 LEU 56 7.937 0.431 -1.208 445 HD12 LEU 56 HD12 LEU 56 9.331 0.212 -2.289 446 HD13 LEU 56 HD13 LEU 56 9.571 0.852 -0.649 447 HD21 LEU 56 HD21 LEU 56 6.760 1.867 -2.861 448 HD22 LEU 56 HD22 LEU 56 7.643 3.190 -3.658 449 HD23 LEU 56 HD23 LEU 56 8.105 1.503 -3.963 450 H SER 57 H SER 57 11.448 2.783 -0.925 451 HA SER 57 HA SER 57 11.462 0.684 1.035 452 HB2 SER 57 HB2 SER 57 13.685 0.183 0.111 453 HB3 SER 57 HB3 SER 57 12.516 0.493 -1.193 454 HG SER 57 HG SER 57 14.519 1.606 -1.469 455 H ASP 58 H ASP 58 12.581 4.003 1.024 456 HA ASP 58 HA ASP 58 14.331 3.533 3.353 457 HB2 ASP 58 HB2 ASP 58 15.010 5.051 1.494 458 HB3 ASP 58 HB3 ASP 58 13.617 6.087 1.861 459 H TYR 59 H TYR 59 11.066 4.321 2.579 460 HA TYR 59 HA TYR 59 10.501 5.988 4.837 461 HB2 TYR 59 HB2 TYR 59 9.268 5.520 2.531 462 HB3 TYR 59 HB3 TYR 59 8.391 4.328 3.493 463 HD1 TYR 59 HD1 TYR 59 7.906 7.342 2.147 464 HD2 TYR 59 HD2 TYR 59 8.041 5.615 6.079 465 HE1 TYR 59 HE1 TYR 59 6.423 9.144 2.983 466 HE2 TYR 59 HE2 TYR 59 6.543 7.400 6.924 467 HH TYR 59 HH TYR 59 5.304 9.265 6.388 468 H ASN 60 H ASN 60 9.166 2.700 4.169 469 HA ASN 60 HA ASN 60 9.822 1.816 6.884 470 HB2 ASN 60 HB2 ASN 60 7.038 2.580 6.006 471 HB3 ASN 60 HB3 ASN 60 7.269 1.222 7.123 472 HD21 ASN 60 HD21 ASN 60 7.186 4.898 8.637 473 HD22 ASN 60 HD22 ASN 60 6.523 4.411 7.094 474 H ILE 61 H ILE 61 8.707 1.312 3.596 475 HA ILE 61 HA ILE 61 7.788 -1.338 3.743 476 HB ILE 61 HB ILE 61 9.126 0.317 1.589 477 HG12 ILE 61 HG12 ILE 61 6.868 -0.239 0.513 478 HG13 ILE 61 HG13 ILE 61 6.385 -0.934 2.073 479 HG21 ILE 61 HG21 ILE 61 8.685 -1.576 0.023 480 HG22 ILE 61 HG22 ILE 61 9.939 -1.969 1.218 481 HG23 ILE 61 HG23 ILE 61 8.290 -2.609 1.416 482 HD11 ILE 61 HD11 ILE 61 5.703 1.494 1.680 483 HD12 ILE 61 HD12 ILE 61 6.636 1.211 3.172 484 HD13 ILE 61 HD13 ILE 61 7.427 1.909 1.742 485 H GLN 62 H GLN 62 8.730 -3.324 3.795 486 HA GLN 62 HA GLN 62 11.697 -3.456 3.768 487 HB2 GLN 62 HB2 GLN 62 9.768 -4.511 5.857 488 HB3 GLN 62 HB3 GLN 62 11.380 -5.224 5.622 489 HG2 GLN 62 HG2 GLN 62 12.441 -3.059 6.044 490 HG3 GLN 62 HG3 GLN 62 10.851 -2.283 6.199 491 HE21 GLN 62 HE21 GLN 62 12.108 -2.982 9.641 492 HE22 GLN 62 HE22 GLN 62 12.637 -2.032 8.272 493 H LYS 63 H LYS 63 12.384 -5.827 3.536 494 HA LYS 63 HA LYS 63 11.161 -6.861 1.190 495 HB2 LYS 63 HB2 LYS 63 12.741 -8.749 1.511 496 HB3 LYS 63 HB3 LYS 63 13.524 -7.164 1.663 497 HG2 LYS 63 HG2 LYS 63 13.323 -7.344 4.155 498 HG3 LYS 63 HG3 LYS 63 12.667 -8.985 3.950 499 HD2 LYS 63 HD2 LYS 63 14.736 -9.661 2.768 500 HD3 LYS 63 HD3 LYS 63 15.394 -8.022 2.996 501 HE2 LYS 63 HE2 LYS 63 15.183 -8.293 5.452 502 HE3 LYS 63 HE3 LYS 63 14.561 -9.938 5.215 503 HZ1 LYS 63 HZ1 LYS 63 16.908 -9.878 5.707 504 HZ2 LYS 63 HZ2 LYS 63 16.629 -10.528 4.214 505 HZ3 LYS 63 HZ3 LYS 63 17.204 -8.987 4.354 506 H GLU 64 H GLU 64 9.373 -8.009 0.950 507 HA GLU 64 HA GLU 64 7.499 -9.200 1.477 508 HB2 GLU 64 HB2 GLU 64 9.704 -10.926 2.669 509 HB3 GLU 64 HB3 GLU 64 8.040 -11.472 2.366 510 HG2 GLU 64 HG2 GLU 64 9.199 -12.147 0.435 511 HG3 GLU 64 HG3 GLU 64 8.386 -10.650 -0.057 512 H SER 65 H SER 65 7.812 -7.072 3.318 513 HA SER 65 HA SER 65 7.033 -8.334 5.896 514 HB2 SER 65 HB2 SER 65 7.878 -5.506 5.165 515 HB3 SER 65 HB3 SER 65 7.299 -5.996 6.775 516 HG SER 65 HG SER 65 9.567 -6.108 6.640 517 H THR 66 H THR 66 5.246 -7.023 7.076 518 HA THR 66 HA THR 66 2.997 -6.911 5.174 519 HB THR 66 HB THR 66 3.026 -7.023 8.214 520 HG1 THR 66 HG1 THR 66 2.570 -9.240 7.807 521 HG21 THR 66 HG21 THR 66 0.690 -7.816 7.892 522 HG22 THR 66 HG22 THR 66 0.918 -6.172 7.254 523 HG23 THR 66 HG23 THR 66 0.854 -7.558 6.139 524 H LEU 67 H LEU 67 1.756 -5.148 4.818 525 HA LEU 67 HA LEU 67 2.404 -2.648 6.318 526 HB2 LEU 67 HB2 LEU 67 1.905 -3.248 3.417 527 HB3 LEU 67 HB3 LEU 67 1.255 -1.737 4.073 528 HG LEU 67 HG LEU 67 3.543 -1.215 5.000 529 HD11 LEU 67 HD11 LEU 67 5.465 -2.405 3.949 530 HD12 LEU 67 HD12 LEU 67 4.506 -3.485 4.980 531 HD13 LEU 67 HD13 LEU 67 4.334 -3.560 3.212 532 HD21 LEU 67 HD21 LEU 67 3.322 -1.620 1.988 533 HD22 LEU 67 HD22 LEU 67 2.675 -0.236 2.898 534 HD23 LEU 67 HD23 LEU 67 4.430 -0.498 2.812 535 H HIS 68 H HIS 68 0.389 -1.074 6.121 536 HA HIS 68 HA HIS 68 -2.048 -2.711 6.637 537 HB2 HIS 68 HB2 HIS 68 -0.861 -1.806 8.673 538 HB3 HIS 68 HB3 HIS 68 -1.190 -0.175 8.074 539 HD1 HIS 68 HD1 HIS 68 -2.593 -2.491 10.438 540 HD2 HIS 68 HD2 HIS 68 -4.091 0.056 7.445 541 HE1 HIS 68 HE1 HIS 68 -5.058 -2.090 10.988 542 H LEU 69 H LEU 69 -3.872 -2.082 5.564 543 HA LEU 69 HA LEU 69 -3.747 0.512 4.096 544 HB2 LEU 69 HB2 LEU 69 -3.350 -1.506 2.653 545 HB3 LEU 69 HB3 LEU 69 -4.932 -2.127 3.156 546 HG LEU 69 HG LEU 69 -5.884 0.126 2.282 547 HD11 LEU 69 HD11 LEU 69 -4.545 1.259 0.594 548 HD12 LEU 69 HD12 LEU 69 -3.595 1.193 2.096 549 HD13 LEU 69 HD13 LEU 69 -3.243 0.064 0.769 550 HD21 LEU 69 HD21 LEU 69 -5.975 -0.752 -0.022 551 HD22 LEU 69 HD22 LEU 69 -4.634 -1.864 0.343 552 HD23 LEU 69 HD23 LEU 69 -6.199 -2.054 1.166 553 H ALA 70 H ALA 70 -5.710 1.635 3.861 554 HA ALA 70 HA ALA 70 -8.033 0.553 5.381 555 HB1 ALA 70 HB1 ALA 70 -8.502 2.876 6.084 556 HB2 ALA 70 HB2 ALA 70 -6.910 2.335 6.667 557 HB3 ALA 70 HB3 ALA 70 -7.021 3.423 5.263 558 H LEU 71 H LEU 71 -10.076 0.942 4.441 559 HA LEU 71 HA LEU 71 -9.943 2.029 1.663 560 HB2 LEU 71 HB2 LEU 71 -11.459 -0.368 2.770 561 HB3 LEU 71 HB3 LEU 71 -11.813 0.377 1.205 562 HG LEU 71 HG LEU 71 -10.433 -1.470 0.739 563 HD11 LEU 71 HD11 LEU 71 -8.764 -0.478 -0.521 564 HD12 LEU 71 HD12 LEU 71 -9.824 0.902 -0.205 565 HD13 LEU 71 HD13 LEU 71 -8.340 0.697 0.755 566 HD21 LEU 71 HD21 LEU 71 -9.567 -1.794 3.061 567 HD22 LEU 71 HD22 LEU 71 -8.326 -1.976 1.801 568 HD23 LEU 71 HD23 LEU 71 -8.391 -0.491 2.766 569 H ARG 72 H ARG 72 -12.229 2.545 0.858 570 HA ARG 72 HA ARG 72 -13.401 4.503 2.623 571 HB2 ARG 72 HB2 ARG 72 -14.975 4.800 0.711 572 HB3 ARG 72 HB3 ARG 72 -13.273 4.835 0.192 573 HG2 ARG 72 HG2 ARG 72 -13.399 2.499 -0.524 574 HG3 ARG 72 HG3 ARG 72 -15.061 2.361 0.090 575 HD2 ARG 72 HD2 ARG 72 -14.227 4.365 -2.036 576 HD3 ARG 72 HD3 ARG 72 -14.841 2.742 -2.412 577 HE ARG 72 HE ARG 72 -16.634 4.079 -0.626 578 HH11 ARG 72 HH11 ARG 72 -15.548 3.984 -3.989 579 HH12 ARG 72 HH12 ARG 72 -17.081 4.520 -4.642 580 HH21 ARG 72 HH21 ARG 72 -18.651 4.810 -1.486 581 HH22 ARG 72 HH22 ARG 72 -18.850 4.986 -3.213 582 H LEU 73 H LEU 73 -15.861 4.558 2.875 583 HA LEU 73 HA LEU 73 -16.796 2.026 4.033 584 HB2 LEU 73 HB2 LEU 73 -18.090 4.772 3.746 585 HB3 LEU 73 HB3 LEU 73 -18.771 3.409 4.657 586 HG LEU 73 HG LEU 73 -16.084 4.732 5.234 587 HD11 LEU 73 HD11 LEU 73 -17.236 5.625 7.232 588 HD12 LEU 73 HD12 LEU 73 -18.012 6.199 5.737 589 HD13 LEU 73 HD13 LEU 73 -18.761 4.891 6.684 590 HD21 LEU 73 HD21 LEU 73 -17.694 2.626 6.744 591 HD22 LEU 73 HD22 LEU 73 -16.157 2.350 5.887 592 HD23 LEU 73 HD23 LEU 73 -16.198 3.395 7.324 593 H ARG 74 H ARG 74 -19.126 1.362 3.445 594 HA ARG 74 HA ARG 74 -19.236 0.858 0.613 595 HB2 ARG 74 HB2 ARG 74 -20.101 -0.707 2.334 596 HB3 ARG 74 HB3 ARG 74 -21.358 0.474 2.769 597 HG2 ARG 74 HG2 ARG 74 -22.339 0.339 0.554 598 HG3 ARG 74 HG3 ARG 74 -20.973 -0.630 -0.044 599 HD2 ARG 74 HD2 ARG 74 -22.893 -2.081 0.416 600 HD3 ARG 74 HD3 ARG 74 -21.563 -2.438 1.534 601 HE ARG 74 HE ARG 74 -23.784 -0.624 2.351 602 HH11 ARG 74 HH11 ARG 74 -21.949 -3.625 2.741 603 HH12 ARG 74 HH12 ARG 74 -22.693 -4.038 4.268 604 HH21 ARG 74 HH21 ARG 74 -24.735 -1.148 4.369 605 HH22 ARG 74 HH22 ARG 74 -24.297 -2.629 5.194 606 H GLY 75 H GLY 75 -20.731 3.195 2.834 607 HA2 GLY 75 HA2 GLY 75 -21.540 5.303 2.207 608 HA3 GLY 75 HA3 GLY 75 -21.619 4.775 0.512 609 H GLY 76 H GLY 76 -22.908 2.289 2.342 610 HA2 GLY 76 HA2 GLY 76 -25.412 3.060 3.218 611 HA3 GLY 76 HA3 GLY 76 -25.597 2.836 1.463 Start of MODEL 9 1 H1 MET 1 H MET 1 11.608 -8.191 -1.111 2 HA MET 1 HA MET 1 12.017 -7.711 -4.004 3 HB2 MET 1 HB2 MET 1 12.792 -9.951 -3.224 4 HB3 MET 1 HB3 MET 1 11.145 -10.282 -2.638 5 HG2 MET 1 HG2 MET 1 10.283 -9.889 -4.935 6 HG3 MET 1 HG3 MET 1 11.934 -9.632 -5.508 7 HE1 MET 1 HE1 MET 1 13.514 -13.020 -5.796 8 HE2 MET 1 HE2 MET 1 13.378 -11.369 -6.445 9 HE3 MET 1 HE3 MET 1 13.846 -11.621 -4.747 10 H GLN 2 H GLN 2 9.606 -8.984 -1.625 11 HA GLN 2 HA GLN 2 7.523 -7.447 -3.105 12 HB2 GLN 2 HB2 GLN 2 7.477 -10.328 -2.132 13 HB3 GLN 2 HB3 GLN 2 6.003 -9.412 -2.518 14 HG2 GLN 2 HG2 GLN 2 6.838 -8.996 -4.802 15 HG3 GLN 2 HG3 GLN 2 8.320 -9.898 -4.431 16 HE21 GLN 2 HE21 GLN 2 6.699 -12.685 -5.892 17 HE22 GLN 2 HE22 GLN 2 7.944 -11.470 -6.064 18 H ILE 3 H ILE 3 5.436 -7.491 -1.643 19 HA ILE 3 HA ILE 3 6.069 -7.363 1.223 20 HB ILE 3 HB ILE 3 5.088 -5.125 1.466 21 HG12 ILE 3 HG12 ILE 3 5.062 -5.078 -1.583 22 HG13 ILE 3 HG13 ILE 3 3.629 -5.219 -0.540 23 HG21 ILE 3 HG21 ILE 3 6.953 -3.836 0.558 24 HG22 ILE 3 HG22 ILE 3 7.552 -5.403 1.142 25 HG23 ILE 3 HG23 ILE 3 7.327 -5.130 -0.603 26 HD11 ILE 3 HD11 ILE 3 5.579 -2.877 -0.605 27 HD12 ILE 3 HD12 ILE 3 3.918 -2.889 -1.235 28 HD13 ILE 3 HD13 ILE 3 4.203 -3.035 0.514 29 H PHE 4 H PHE 4 3.822 -6.729 2.378 30 HA PHE 4 HA PHE 4 1.637 -8.105 0.889 31 HB2 PHE 4 HB2 PHE 4 2.537 -8.549 3.757 32 HB3 PHE 4 HB3 PHE 4 1.036 -9.178 3.068 33 HD1 PHE 4 HD1 PHE 4 1.061 -10.974 1.392 34 HD2 PHE 4 HD2 PHE 4 4.688 -9.513 3.176 35 HE1 PHE 4 HE1 PHE 4 2.271 -12.982 0.579 36 HE2 PHE 4 HE2 PHE 4 5.896 -11.519 2.363 37 HZ PHE 4 HZ PHE 4 4.687 -13.254 1.063 38 H VAL 5 H VAL 5 0.194 -6.489 0.540 39 HA VAL 5 HA VAL 5 -0.263 -4.512 2.702 40 HB VAL 5 HB VAL 5 -1.271 -4.644 -0.173 41 HG11 VAL 5 HG11 VAL 5 -1.929 -2.285 0.248 42 HG12 VAL 5 HG12 VAL 5 -2.786 -3.403 1.334 43 HG13 VAL 5 HG13 VAL 5 -1.410 -2.450 1.942 44 HG21 VAL 5 HG21 VAL 5 0.352 -2.795 -0.531 45 HG22 VAL 5 HG22 VAL 5 0.916 -2.975 1.146 46 HG23 VAL 5 HG23 VAL 5 1.170 -4.291 -0.025 47 H LYS 6 H LYS 6 -1.904 -4.834 4.106 48 HA LYS 6 HA LYS 6 -3.942 -6.858 3.359 49 HB2 LYS 6 HB2 LYS 6 -2.436 -7.193 5.361 50 HB3 LYS 6 HB3 LYS 6 -3.227 -5.792 6.115 51 HG2 LYS 6 HG2 LYS 6 -5.404 -6.928 5.995 52 HG3 LYS 6 HG3 LYS 6 -4.666 -8.288 5.113 53 HD2 LYS 6 HD2 LYS 6 -3.141 -8.667 7.069 54 HD3 LYS 6 HD3 LYS 6 -4.027 -7.407 7.960 55 HE2 LYS 6 HE2 LYS 6 -6.113 -8.697 7.731 56 HE3 LYS 6 HE3 LYS 6 -5.259 -9.932 6.782 57 HZ1 LYS 6 HZ1 LYS 6 -3.888 -10.354 8.695 58 HZ2 LYS 6 HZ2 LYS 6 -4.704 -9.220 9.576 59 HZ3 LYS 6 HZ3 LYS 6 -5.481 -10.578 9.057 60 H THR 7 H THR 7 -5.873 -6.124 2.751 61 HA THR 7 HA THR 7 -6.625 -3.385 2.894 62 HB THR 7 HB THR 7 -8.806 -4.228 2.083 63 HG1 THR 7 HG1 THR 7 -9.071 -6.462 1.912 64 HG21 THR 7 HG21 THR 7 -7.974 -5.338 0.041 65 HG22 THR 7 HG22 THR 7 -6.919 -3.980 0.492 66 HG23 THR 7 HG23 THR 7 -6.414 -5.651 0.836 67 H ALA 8 H ALA 8 -8.877 -2.778 3.828 68 HA ALA 8 HA ALA 8 -8.769 -3.144 6.692 69 HB1 ALA 8 HB1 ALA 8 -10.772 -1.701 6.662 70 HB2 ALA 8 HB2 ALA 8 -9.485 -1.031 5.632 71 HB3 ALA 8 HB3 ALA 8 -10.872 -1.869 4.894 72 H THR 9 H THR 9 -9.927 -5.105 4.184 73 HA THR 9 HA THR 9 -12.164 -6.176 5.801 74 HB THR 9 HB THR 9 -12.622 -7.529 3.768 75 HG1 THR 9 HG1 THR 9 -11.410 -6.949 1.892 76 HG21 THR 9 HG21 THR 9 -12.249 -4.549 3.237 77 HG22 THR 9 HG22 THR 9 -13.331 -5.643 2.344 78 HG23 THR 9 HG23 THR 9 -13.644 -5.288 4.059 79 H GLY 10 H GLY 10 -8.851 -6.491 5.582 80 HA2 GLY 10 HA2 GLY 10 -7.580 -7.993 6.827 81 HA3 GLY 10 HA3 GLY 10 -8.969 -9.093 6.932 82 H LYS 11 H LYS 11 -8.891 -8.242 3.735 83 HA LYS 11 HA LYS 11 -7.691 -10.783 2.970 84 HB2 LYS 11 HB2 LYS 11 -8.810 -8.448 1.366 85 HB3 LYS 11 HB3 LYS 11 -8.249 -9.983 0.664 86 HG2 LYS 11 HG2 LYS 11 -9.888 -11.214 2.072 87 HG3 LYS 11 HG3 LYS 11 -10.479 -9.667 2.721 88 HD2 LYS 11 HD2 LYS 11 -11.125 -8.951 0.447 89 HD3 LYS 11 HD3 LYS 11 -10.507 -10.482 -0.218 90 HE2 LYS 11 HE2 LYS 11 -12.128 -11.738 1.168 91 HE3 LYS 11 HE3 LYS 11 -12.743 -10.212 1.836 92 HZ1 LYS 11 HZ1 LYS 11 -12.827 -11.002 -0.994 93 HZ2 LYS 11 HZ2 LYS 11 -14.103 -11.003 0.051 94 HZ3 LYS 11 HZ3 LYS 11 -13.389 -9.580 -0.377 95 H THR 12 H THR 12 -5.529 -11.009 2.982 96 HA THR 12 HA THR 12 -3.749 -8.748 2.718 97 HB THR 12 HB THR 12 -3.108 -11.716 2.576 98 HG1 THR 12 HG1 THR 12 -2.925 -11.553 4.822 99 HG21 THR 12 HG21 THR 12 -1.523 -9.273 3.487 100 HG22 THR 12 HG22 THR 12 -0.952 -10.958 3.548 101 HG23 THR 12 HG23 THR 12 -1.263 -10.182 1.978 102 H ILE 13 H ILE 13 -2.438 -8.186 0.982 103 HA ILE 13 HA ILE 13 -2.958 -9.618 -1.572 104 HB ILE 13 HB ILE 13 -2.649 -6.613 -1.223 105 HG12 ILE 13 HG12 ILE 13 -5.161 -8.256 -1.759 106 HG13 ILE 13 HG13 ILE 13 -4.775 -7.433 -0.232 107 HG21 ILE 13 HG21 ILE 13 -1.892 -7.590 -3.391 108 HG22 ILE 13 HG22 ILE 13 -3.499 -8.325 -3.599 109 HG23 ILE 13 HG23 ILE 13 -3.321 -6.554 -3.587 110 HD11 ILE 13 HD11 ILE 13 -5.179 -6.099 -2.942 111 HD12 ILE 13 HD12 ILE 13 -6.287 -6.038 -1.556 112 HD13 ILE 13 HD13 ILE 13 -4.692 -5.258 -1.450 113 H THR 14 H THR 14 -1.099 -10.553 -2.189 114 HA THR 14 HA THR 14 1.488 -9.686 -1.256 115 HB THR 14 HB THR 14 0.758 -11.460 -3.623 116 HG1 THR 14 HG1 THR 14 1.227 -12.110 -0.899 117 HG21 THR 14 HG21 THR 14 3.121 -10.721 -3.552 118 HG22 THR 14 HG22 THR 14 3.247 -11.285 -1.869 119 HG23 THR 14 HG23 THR 14 2.982 -12.455 -3.184 120 H LEU 15 H LEU 15 2.606 -7.947 -1.992 121 HA LEU 15 HA LEU 15 1.859 -6.929 -4.687 122 HB2 LEU 15 HB2 LEU 15 1.123 -5.662 -2.524 123 HB3 LEU 15 HB3 LEU 15 2.829 -5.188 -2.417 124 HG LEU 15 HG LEU 15 2.652 -4.286 -4.770 125 HD11 LEU 15 HD11 LEU 15 -0.287 -4.949 -4.303 126 HD12 LEU 15 HD12 LEU 15 0.308 -3.896 -5.605 127 HD13 LEU 15 HD13 LEU 15 0.768 -5.611 -5.575 128 HD21 LEU 15 HD21 LEU 15 0.672 -3.181 -2.732 129 HD22 LEU 15 HD22 LEU 15 2.414 -2.823 -2.794 130 HD23 LEU 15 HD23 LEU 15 1.349 -2.286 -4.112 131 H GLU 16 H GLU 16 3.501 -5.751 -5.830 132 HA GLU 16 HA GLU 16 6.284 -6.151 -4.900 133 HB2 GLU 16 HB2 GLU 16 5.722 -7.986 -6.479 134 HB3 GLU 16 HB3 GLU 16 5.228 -6.780 -7.690 135 HG2 GLU 16 HG2 GLU 16 7.504 -5.827 -7.683 136 HG3 GLU 16 HG3 GLU 16 7.999 -6.994 -6.441 137 H VAL 17 H VAL 17 7.219 -4.158 -4.851 138 HA VAL 17 HA VAL 17 6.175 -2.139 -6.784 139 HB VAL 17 HB VAL 17 6.376 -0.467 -4.964 140 HG11 VAL 17 HG11 VAL 17 4.438 -1.270 -3.615 141 HG12 VAL 17 HG12 VAL 17 4.204 -1.534 -5.355 142 HG13 VAL 17 HG13 VAL 17 4.655 -2.895 -4.300 143 HG21 VAL 17 HG21 VAL 17 8.111 -1.629 -3.628 144 HG22 VAL 17 HG22 VAL 17 6.687 -1.238 -2.638 145 HG23 VAL 17 HG23 VAL 17 6.937 -2.902 -3.214 146 H GLU 18 H GLU 18 7.658 -0.307 -7.135 147 HA GLU 18 HA GLU 18 10.444 -1.237 -7.281 148 HB2 GLU 18 HB2 GLU 18 8.873 1.074 -8.447 149 HB3 GLU 18 HB3 GLU 18 10.647 0.999 -8.543 150 HG2 GLU 18 HG2 GLU 18 9.635 0.058 -10.576 151 HG3 GLU 18 HG3 GLU 18 10.506 -1.192 -9.670 152 HA PRO 19 HA PRO 19 11.364 0.464 -3.410 153 HB2 PRO 19 HB2 PRO 19 14.094 0.896 -4.594 154 HB3 PRO 19 HB3 PRO 19 13.644 0.095 -3.054 155 HG2 PRO 19 HG2 PRO 19 14.311 -1.344 -5.276 156 HG3 PRO 19 HG3 PRO 19 13.021 -1.890 -4.156 157 HD2 PRO 19 HD2 PRO 19 12.759 -0.623 -6.860 158 HD3 PRO 19 HD3 PRO 19 11.702 -1.815 -6.044 159 H SER 20 H SER 20 11.993 2.393 -6.326 160 HA SER 20 HA SER 20 12.192 4.787 -4.557 161 HB2 SER 20 HB2 SER 20 13.689 4.205 -7.136 162 HB3 SER 20 HB3 SER 20 13.786 5.711 -6.194 163 HG SER 20 HG SER 20 14.434 3.107 -5.260 164 H ASP 21 H ASP 21 9.969 3.409 -6.385 165 HA ASP 21 HA ASP 21 9.432 5.699 -8.177 166 HB2 ASP 21 HB2 ASP 21 8.341 2.919 -7.854 167 HB3 ASP 21 HB3 ASP 21 7.313 4.165 -8.585 168 H THR 22 H THR 22 9.165 5.251 -4.982 169 HA THR 22 HA THR 22 8.095 6.530 -3.429 170 HB THR 22 HB THR 22 6.370 7.592 -5.702 171 HG1 THR 22 HG1 THR 22 8.626 7.860 -6.048 172 HG21 THR 22 HG21 THR 22 6.209 9.572 -4.214 173 HG22 THR 22 HG22 THR 22 5.491 8.121 -3.484 174 HG23 THR 22 HG23 THR 22 7.098 8.679 -2.958 175 H ILE 23 H ILE 23 6.011 6.629 -2.242 176 HA ILE 23 HA ILE 23 4.705 4.151 -2.081 177 HB ILE 23 HB ILE 23 3.856 6.949 -1.251 178 HG12 ILE 23 HG12 ILE 23 5.941 5.997 -0.222 179 HG13 ILE 23 HG13 ILE 23 4.639 6.294 0.944 180 HG21 ILE 23 HG21 ILE 23 2.323 5.704 0.340 181 HG22 ILE 23 HG22 ILE 23 1.840 5.638 -1.372 182 HG23 ILE 23 HG23 ILE 23 2.636 4.238 -0.617 183 HD11 ILE 23 HD11 ILE 23 5.743 4.105 1.327 184 HD12 ILE 23 HD12 ILE 23 4.024 3.917 0.920 185 HD13 ILE 23 HD13 ILE 23 5.270 3.588 -0.306 186 H GLU 24 H GLU 24 4.224 6.843 -4.271 187 HA GLU 24 HA GLU 24 1.545 6.488 -5.031 188 HB2 GLU 24 HB2 GLU 24 2.989 8.345 -5.762 189 HB3 GLU 24 HB3 GLU 24 3.984 7.214 -6.704 190 HG2 GLU 24 HG2 GLU 24 2.006 6.627 -8.078 191 HG3 GLU 24 HG3 GLU 24 1.022 7.773 -7.142 192 H ASN 25 H ASN 25 4.463 4.610 -5.769 193 HA ASN 25 HA ASN 25 3.316 3.031 -7.870 194 HB2 ASN 25 HB2 ASN 25 5.757 3.376 -7.432 195 HB3 ASN 25 HB3 ASN 25 5.601 2.402 -5.959 196 HD21 ASN 25 HD21 ASN 25 6.225 0.605 -9.512 197 HD22 ASN 25 HD22 ASN 25 6.288 2.338 -9.290 198 H VAL 26 H VAL 26 3.475 2.736 -4.303 199 HA VAL 26 HA VAL 26 2.652 0.025 -4.173 200 HB VAL 26 HB VAL 26 2.151 2.276 -2.182 201 HG11 VAL 26 HG11 VAL 26 0.868 0.212 -1.725 202 HG12 VAL 26 HG12 VAL 26 2.364 -0.744 -1.836 203 HG13 VAL 26 HG13 VAL 26 2.160 0.439 -0.524 204 HG21 VAL 26 HG21 VAL 26 4.535 2.114 -2.831 205 HG22 VAL 26 HG22 VAL 26 4.278 1.569 -1.158 206 HG23 VAL 26 HG23 VAL 26 4.518 0.376 -2.454 207 H LYS 27 H LYS 27 0.859 3.072 -4.551 208 HA LYS 27 HA LYS 27 -1.727 1.783 -4.129 209 HB2 LYS 27 HB2 LYS 27 -0.923 4.533 -5.165 210 HB3 LYS 27 HB3 LYS 27 -2.594 4.014 -4.845 211 HG2 LYS 27 HG2 LYS 27 -1.951 3.520 -2.480 212 HG3 LYS 27 HG3 LYS 27 -0.329 4.167 -2.808 213 HD2 LYS 27 HD2 LYS 27 -2.931 5.724 -3.145 214 HD3 LYS 27 HD3 LYS 27 -1.856 5.835 -1.734 215 HE2 LYS 27 HE2 LYS 27 0.003 6.565 -3.226 216 HE3 LYS 27 HE3 LYS 27 -1.108 6.487 -4.609 217 HZ1 LYS 27 HZ1 LYS 27 -2.504 8.063 -3.213 218 HZ2 LYS 27 HZ2 LYS 27 -1.129 8.340 -2.362 219 HZ3 LYS 27 HZ3 LYS 27 -1.163 8.668 -3.976 220 H ALA 28 H ALA 28 0.448 2.526 -6.822 221 HA ALA 28 HA ALA 28 -1.574 2.271 -8.857 222 HB1 ALA 28 HB1 ALA 28 0.267 2.448 -10.390 223 HB2 ALA 28 HB2 ALA 28 0.612 3.536 -9.032 224 HB3 ALA 28 HB3 ALA 28 1.439 1.963 -9.136 225 H LYS 29 H LYS 29 0.772 0.038 -7.322 226 HA LYS 29 HA LYS 29 0.369 -2.079 -9.212 227 HB2 LYS 29 HB2 LYS 29 1.301 -2.094 -6.317 228 HB3 LYS 29 HB3 LYS 29 1.445 -3.469 -7.431 229 HG2 LYS 29 HG2 LYS 29 2.640 -0.740 -8.041 230 HG3 LYS 29 HG3 LYS 29 3.516 -1.992 -7.142 231 HD2 LYS 29 HD2 LYS 29 3.173 -3.560 -9.057 232 HD3 LYS 29 HD3 LYS 29 2.450 -2.218 -9.981 233 HE2 LYS 29 HE2 LYS 29 4.509 -0.917 -9.767 234 HE3 LYS 29 HE3 LYS 29 5.224 -2.153 -8.715 235 HZ1 LYS 29 HZ1 LYS 29 5.227 -3.662 -10.510 236 HZ2 LYS 29 HZ2 LYS 29 4.422 -2.614 -11.500 237 HZ3 LYS 29 HZ3 LYS 29 5.960 -2.274 -11.007 238 H ILE 30 H ILE 30 -1.480 -0.897 -6.468 239 HA ILE 30 HA ILE 30 -3.007 -3.421 -6.312 240 HB ILE 30 HB ILE 30 -3.111 -0.823 -4.732 241 HG12 ILE 30 HG12 ILE 30 -2.277 -3.646 -3.932 242 HG13 ILE 30 HG13 ILE 30 -1.137 -2.378 -4.428 243 HG21 ILE 30 HG21 ILE 30 -4.679 -3.419 -4.374 244 HG22 ILE 30 HG22 ILE 30 -4.683 -2.048 -3.242 245 HG23 ILE 30 HG23 ILE 30 -5.357 -1.850 -4.870 246 HD11 ILE 30 HD11 ILE 30 -3.072 -2.165 -2.083 247 HD12 ILE 30 HD12 ILE 30 -1.333 -2.513 -1.963 248 HD13 ILE 30 HD13 ILE 30 -1.884 -0.941 -2.584 249 H GLN 31 H GLN 31 -3.107 -0.250 -7.799 250 HA GLN 31 HA GLN 31 -5.919 -0.013 -8.116 251 HB2 GLN 31 HB2 GLN 31 -4.274 1.810 -8.514 252 HB3 GLN 31 HB3 GLN 31 -3.667 0.932 -9.937 253 HG2 GLN 31 HG2 GLN 31 -5.959 1.024 -10.926 254 HG3 GLN 31 HG3 GLN 31 -6.501 1.977 -9.531 255 HE21 GLN 31 HE21 GLN 31 -3.887 3.667 -12.298 256 HE22 GLN 31 HE22 GLN 31 -3.907 1.935 -12.046 257 H ASP 32 H ASP 32 -3.399 -1.762 -9.938 258 HA ASP 32 HA ASP 32 -5.220 -2.552 -12.064 259 HB2 ASP 32 HB2 ASP 32 -2.760 -2.245 -12.354 260 HB3 ASP 32 HB3 ASP 32 -2.477 -3.609 -11.259 261 H LYS 33 H LYS 33 -4.175 -3.780 -8.929 262 HA LYS 33 HA LYS 33 -4.944 -6.513 -9.494 263 HB2 LYS 33 HB2 LYS 33 -3.090 -5.675 -7.939 264 HB3 LYS 33 HB3 LYS 33 -4.377 -5.230 -6.801 265 HG2 LYS 33 HG2 LYS 33 -3.713 -7.398 -6.120 266 HG3 LYS 33 HG3 LYS 33 -5.191 -7.685 -7.065 267 HD2 LYS 33 HD2 LYS 33 -3.839 -8.264 -9.038 268 HD3 LYS 33 HD3 LYS 33 -2.347 -7.852 -8.161 269 HE2 LYS 33 HE2 LYS 33 -2.881 -9.615 -6.480 270 HE3 LYS 33 HE3 LYS 33 -4.307 -10.066 -7.439 271 HZ1 LYS 33 HZ1 LYS 33 -2.445 -11.458 -7.928 272 HZ2 LYS 33 HZ2 LYS 33 -2.837 -10.563 -9.258 273 HZ3 LYS 33 HZ3 LYS 33 -1.517 -10.163 -8.351 274 H GLU 34 H GLU 34 -6.110 -4.108 -7.052 275 HA GLU 34 HA GLU 34 -8.516 -5.744 -6.672 276 HB2 GLU 34 HB2 GLU 34 -7.042 -4.663 -4.841 277 HB3 GLU 34 HB3 GLU 34 -7.815 -3.131 -5.297 278 HG2 GLU 34 HG2 GLU 34 -8.989 -4.193 -3.406 279 HG3 GLU 34 HG3 GLU 34 -10.038 -4.133 -4.835 280 H GLY 35 H GLY 35 -7.502 -3.060 -8.564 281 HA2 GLY 35 HA2 GLY 35 -8.741 -1.898 -10.141 282 HA3 GLY 35 HA3 GLY 35 -10.228 -2.621 -9.500 283 H ILE 36 H ILE 36 -8.835 -1.614 -6.749 284 HA ILE 36 HA ILE 36 -10.536 0.689 -6.502 285 HB ILE 36 HB ILE 36 -8.286 -0.320 -4.718 286 HG12 ILE 36 HG12 ILE 36 -11.289 -0.843 -4.625 287 HG13 ILE 36 HG13 ILE 36 -10.069 -2.002 -5.193 288 HG21 ILE 36 HG21 ILE 36 -10.670 1.495 -4.138 289 HG22 ILE 36 HG22 ILE 36 -9.452 0.956 -2.958 290 HG23 ILE 36 HG23 ILE 36 -8.980 2.033 -4.288 291 HD11 ILE 36 HD11 ILE 36 -10.271 -0.822 -2.393 292 HD12 ILE 36 HD12 ILE 36 -10.624 -2.496 -2.869 293 HD13 ILE 36 HD13 ILE 36 -8.957 -1.882 -2.956 294 HA PRO 37 HA PRO 37 -7.491 3.467 -8.239 295 HB2 PRO 37 HB2 PRO 37 -9.039 5.723 -8.214 296 HB3 PRO 37 HB3 PRO 37 -9.298 4.395 -9.395 297 HG2 PRO 37 HG2 PRO 37 -10.777 4.949 -6.812 298 HG3 PRO 37 HG3 PRO 37 -11.453 4.489 -8.410 299 HD2 PRO 37 HD2 PRO 37 -11.019 2.689 -6.361 300 HD3 PRO 37 HD3 PRO 37 -10.918 2.236 -8.091 301 HA PRO 38 HA PRO 38 -5.683 5.647 -4.871 302 HB2 PRO 38 HB2 PRO 38 -5.917 8.230 -6.365 303 HB3 PRO 38 HB3 PRO 38 -4.456 7.450 -5.678 304 HG2 PRO 38 HG2 PRO 38 -4.990 7.438 -8.369 305 HG3 PRO 38 HG3 PRO 38 -4.203 6.051 -7.547 306 HD2 PRO 38 HD2 PRO 38 -7.049 6.342 -8.458 307 HD3 PRO 38 HD3 PRO 38 -6.014 4.882 -8.398 308 H ASP 39 H ASP 39 -5.991 7.504 -3.310 309 HA ASP 39 HA ASP 39 -7.198 8.885 -1.992 310 HB2 ASP 39 HB2 ASP 39 -7.933 9.923 -4.170 311 HB3 ASP 39 HB3 ASP 39 -9.379 8.895 -4.100 312 H GLN 40 H GLN 40 -9.419 6.532 -3.624 313 HA GLN 40 HA GLN 40 -11.087 6.209 -1.327 314 HB2 GLN 40 HB2 GLN 40 -10.532 4.452 -3.749 315 HB3 GLN 40 HB3 GLN 40 -11.749 4.063 -2.510 316 HG2 GLN 40 HG2 GLN 40 -12.874 6.222 -2.916 317 HG3 GLN 40 HG3 GLN 40 -11.663 6.630 -4.147 318 HE21 GLN 40 HE21 GLN 40 -13.605 5.187 -6.676 319 HE22 GLN 40 HE22 GLN 40 -12.554 6.477 -6.133 320 H GLN 41 H GLN 41 -7.881 5.155 -2.075 321 HA GLN 41 HA GLN 41 -7.982 3.291 0.243 322 HB2 GLN 41 HB2 GLN 41 -6.157 2.061 -0.791 323 HB3 GLN 41 HB3 GLN 41 -7.502 2.195 -1.945 324 HG2 GLN 41 HG2 GLN 41 -6.352 4.190 -2.962 325 HG3 GLN 41 HG3 GLN 41 -4.974 3.896 -1.883 326 HE21 GLN 41 HE21 GLN 41 -5.405 1.801 -5.342 327 HE22 GLN 41 HE22 GLN 41 -6.450 3.125 -4.881 328 H ARG 42 H ARG 42 -6.215 3.366 1.706 329 HA ARG 42 HA ARG 42 -4.266 5.580 1.429 330 HB2 ARG 42 HB2 ARG 42 -6.416 5.271 3.528 331 HB3 ARG 42 HB3 ARG 42 -4.860 6.016 3.960 332 HG2 ARG 42 HG2 ARG 42 -5.170 7.840 2.551 333 HG3 ARG 42 HG3 ARG 42 -6.282 6.967 1.477 334 HD2 ARG 42 HD2 ARG 42 -6.994 7.654 4.344 335 HD3 ARG 42 HD3 ARG 42 -7.345 8.728 2.975 336 HE ARG 42 HE ARG 42 -8.692 6.898 1.994 337 HH11 ARG 42 HH11 ARG 42 -7.973 6.823 5.458 338 HH12 ARG 42 HH12 ARG 42 -9.333 5.798 5.852 339 HH21 ARG 42 HH21 ARG 42 -10.474 5.547 2.514 340 HH22 ARG 42 HH22 ARG 42 -10.758 5.057 4.167 341 H LEU 43 H LEU 43 -2.308 5.114 2.432 342 HA LEU 43 HA LEU 43 -2.066 2.288 3.293 343 HB2 LEU 43 HB2 LEU 43 -0.270 4.334 1.982 344 HB3 LEU 43 HB3 LEU 43 0.435 2.929 2.809 345 HG LEU 43 HG LEU 43 -1.719 2.681 0.678 346 HD11 LEU 43 HD11 LEU 43 0.320 3.738 -0.251 347 HD12 LEU 43 HD12 LEU 43 1.311 2.427 0.432 348 HD13 LEU 43 HD13 LEU 43 0.125 2.076 -0.850 349 HD21 LEU 43 HD21 LEU 43 -0.890 0.339 0.603 350 HD22 LEU 43 HD22 LEU 43 0.272 0.711 1.897 351 HD23 LEU 43 HD23 LEU 43 -1.474 0.755 2.228 352 H ALA 44 H ALA 44 -0.631 1.704 4.993 353 HA ALA 44 HA ALA 44 0.498 3.739 6.733 354 HB1 ALA 44 HB1 ALA 44 -1.742 1.929 7.723 355 HB2 ALA 44 HB2 ALA 44 -0.746 3.005 8.733 356 HB3 ALA 44 HB3 ALA 44 -1.846 3.694 7.517 357 H PHE 45 H PHE 45 1.605 2.584 8.644 358 HA PHE 45 HA PHE 45 2.249 -0.240 8.099 359 HB2 PHE 45 HB2 PHE 45 3.834 1.274 6.814 360 HB3 PHE 45 HB3 PHE 45 4.403 1.884 8.371 361 HD1 PHE 45 HD1 PHE 45 5.159 -0.009 10.093 362 HD2 PHE 45 HD2 PHE 45 4.940 -0.506 5.830 363 HE1 PHE 45 HE1 PHE 45 6.734 -1.917 10.234 364 HE2 PHE 45 HE2 PHE 45 6.516 -2.415 5.973 365 HZ PHE 45 HZ PHE 45 7.417 -3.118 8.175 366 H ALA 46 H ALA 46 1.827 -1.182 10.032 367 HA ALA 46 HA ALA 46 1.706 -1.524 12.277 368 HB1 ALA 46 HB1 ALA 46 4.145 -1.650 11.966 369 HB2 ALA 46 HB2 ALA 46 4.277 0.100 12.269 370 HB3 ALA 46 HB3 ALA 46 3.724 -0.989 13.564 371 H GLY 47 H GLY 47 0.533 1.044 11.079 372 HA2 GLY 47 HA2 GLY 47 -1.061 2.319 12.341 373 HA3 GLY 47 HA3 GLY 47 0.081 2.376 13.697 374 H LYS 48 H LYS 48 2.238 2.859 11.408 375 HA LYS 48 HA LYS 48 2.088 5.777 11.552 376 HB2 LYS 48 HB2 LYS 48 3.973 3.948 10.003 377 HB3 LYS 48 HB3 LYS 48 4.219 5.672 10.343 378 HG2 LYS 48 HG2 LYS 48 4.346 5.204 12.755 379 HG3 LYS 48 HG3 LYS 48 4.012 3.480 12.453 380 HD2 LYS 48 HD2 LYS 48 6.063 3.352 11.041 381 HD3 LYS 48 HD3 LYS 48 6.417 5.051 11.431 382 HE2 LYS 48 HE2 LYS 48 6.531 4.480 13.831 383 HE3 LYS 48 HE3 LYS 48 6.151 2.788 13.452 384 HZ1 LYS 48 HZ1 LYS 48 8.166 2.701 12.157 385 HZ2 LYS 48 HZ2 LYS 48 8.524 4.264 12.544 386 HZ3 LYS 48 HZ3 LYS 48 8.488 3.110 13.721 387 H GLN 49 H GLN 49 0.821 6.933 10.108 388 HA GLN 49 HA GLN 49 -0.263 5.642 7.775 389 HB2 GLN 49 HB2 GLN 49 -1.566 7.408 8.644 390 HB3 GLN 49 HB3 GLN 49 -0.163 8.490 8.800 391 HG2 GLN 49 HG2 GLN 49 0.021 8.729 6.398 392 HG3 GLN 49 HG3 GLN 49 -1.215 7.481 6.133 393 HE21 GLN 49 HE21 GLN 49 -3.557 10.078 5.760 394 HE22 GLN 49 HE22 GLN 49 -2.689 8.753 5.018 395 H LEU 50 H LEU 50 0.393 5.738 5.622 396 HA LEU 50 HA LEU 50 3.146 6.784 5.214 397 HB2 LEU 50 HB2 LEU 50 1.465 4.820 3.607 398 HB3 LEU 50 HB3 LEU 50 3.112 5.335 3.192 399 HG LEU 50 HG LEU 50 2.304 3.899 5.760 400 HD11 LEU 50 HD11 LEU 50 3.829 2.969 3.290 401 HD12 LEU 50 HD12 LEU 50 3.602 2.020 4.777 402 HD13 LEU 50 HD13 LEU 50 2.199 2.445 3.773 403 HD21 LEU 50 HD21 LEU 50 4.235 5.394 6.097 404 HD22 LEU 50 HD22 LEU 50 4.759 3.697 6.092 405 HD23 LEU 50 HD23 LEU 50 5.028 4.713 4.656 406 H GLU 51 H GLU 51 3.607 7.992 3.282 407 HA GLU 51 HA GLU 51 1.295 9.143 1.852 408 HB2 GLU 51 HB2 GLU 51 1.744 10.571 3.861 409 HB3 GLU 51 HB3 GLU 51 3.407 10.809 3.287 410 HG2 GLU 51 HG2 GLU 51 2.557 11.856 1.225 411 HG3 GLU 51 HG3 GLU 51 0.886 11.558 1.747 412 H ASP 52 H ASP 52 1.916 10.043 -0.214 413 HA ASP 52 HA ASP 52 4.376 8.806 -1.224 414 HB2 ASP 52 HB2 ASP 52 3.505 9.496 -3.424 415 HB3 ASP 52 HB3 ASP 52 2.304 8.574 -2.502 416 H GLY 53 H GLY 53 5.795 10.051 -2.685 417 HA2 GLY 53 HA2 GLY 53 6.582 12.271 -3.355 418 HA3 GLY 53 HA3 GLY 53 6.165 12.849 -1.728 419 H ARG 54 H ARG 54 7.290 9.748 -1.279 420 HA ARG 54 HA ARG 54 10.133 10.566 -1.119 421 HB2 ARG 54 HB2 ARG 54 8.813 11.085 1.005 422 HB3 ARG 54 HB3 ARG 54 8.613 9.334 1.203 423 HG2 ARG 54 HG2 ARG 54 11.044 9.040 1.319 424 HG3 ARG 54 HG3 ARG 54 11.292 10.769 0.952 425 HD2 ARG 54 HD2 ARG 54 9.949 11.338 2.996 426 HD3 ARG 54 HD3 ARG 54 9.900 9.611 3.400 427 HE ARG 54 HE ARG 54 12.558 10.002 3.160 428 HH11 ARG 54 HH11 ARG 54 10.030 11.843 4.834 429 HH12 ARG 54 HH12 ARG 54 11.092 12.393 6.106 430 HH21 ARG 54 HH21 ARG 54 13.953 10.741 4.845 431 HH22 ARG 54 HH22 ARG 54 13.327 11.767 6.112 432 H THR 55 H THR 55 11.601 8.742 -0.892 433 HA THR 55 HA THR 55 10.948 6.438 -2.406 434 HB THR 55 HB THR 55 13.109 6.873 -0.293 435 HG1 THR 55 HG1 THR 55 14.328 7.464 -2.140 436 HG21 THR 55 HG21 THR 55 14.345 5.154 -1.539 437 HG22 THR 55 HG22 THR 55 12.794 4.497 -0.965 438 HG23 THR 55 HG23 THR 55 12.986 4.974 -2.670 439 H LEU 56 H LEU 56 9.588 4.815 -1.857 440 HA LEU 56 HA LEU 56 8.449 4.656 0.733 441 HB2 LEU 56 HB2 LEU 56 7.288 2.685 -0.153 442 HB3 LEU 56 HB3 LEU 56 7.315 3.999 -1.342 443 HG LEU 56 HG LEU 56 9.551 2.722 -2.134 444 HD11 LEU 56 HD11 LEU 56 7.741 0.533 -1.016 445 HD12 LEU 56 HD12 LEU 56 9.200 0.282 -2.000 446 HD13 LEU 56 HD13 LEU 56 9.338 0.961 -0.364 447 HD21 LEU 56 HD21 LEU 56 6.683 1.918 -2.775 448 HD22 LEU 56 HD22 LEU 56 7.610 3.229 -3.544 449 HD23 LEU 56 HD23 LEU 56 8.097 1.535 -3.780 450 H SER 57 H SER 57 11.180 2.890 -0.763 451 HA SER 57 HA SER 57 11.231 0.881 1.304 452 HB2 SER 57 HB2 SER 57 13.321 1.777 -0.721 453 HB3 SER 57 HB3 SER 57 13.444 0.326 0.303 454 HG SER 57 HG SER 57 12.558 -0.125 -1.763 455 H ASP 58 H ASP 58 12.298 4.175 1.119 456 HA ASP 58 HA ASP 58 14.247 3.801 3.309 457 HB2 ASP 58 HB2 ASP 58 14.797 5.276 1.393 458 HB3 ASP 58 HB3 ASP 58 13.373 6.271 1.762 459 H TYR 59 H TYR 59 10.913 4.437 2.771 460 HA TYR 59 HA TYR 59 10.565 6.164 5.070 461 HB2 TYR 59 HB2 TYR 59 9.212 5.850 2.780 462 HB3 TYR 59 HB3 TYR 59 8.259 4.757 3.789 463 HD1 TYR 59 HD1 TYR 59 7.955 7.766 2.457 464 HD2 TYR 59 HD2 TYR 59 8.300 6.114 6.410 465 HE1 TYR 59 HE1 TYR 59 6.776 9.745 3.381 466 HE2 TYR 59 HE2 TYR 59 7.126 8.083 7.343 467 HH TYR 59 HH TYR 59 6.120 10.092 6.893 468 H ASN 60 H ASN 60 8.970 2.988 4.331 469 HA ASN 60 HA ASN 60 9.558 2.096 7.086 470 HB2 ASN 60 HB2 ASN 60 6.823 2.815 6.015 471 HB3 ASN 60 HB3 ASN 60 7.009 1.523 7.215 472 HD21 ASN 60 HD21 ASN 60 6.815 5.279 8.510 473 HD22 ASN 60 HD22 ASN 60 6.289 4.725 6.937 474 H ILE 61 H ILE 61 8.519 1.511 3.764 475 HA ILE 61 HA ILE 61 7.636 -1.152 3.986 476 HB ILE 61 HB ILE 61 8.905 0.495 1.789 477 HG12 ILE 61 HG12 ILE 61 6.657 -0.124 0.748 478 HG13 ILE 61 HG13 ILE 61 6.210 -0.841 2.309 479 HG21 ILE 61 HG21 ILE 61 8.503 -1.439 0.261 480 HG22 ILE 61 HG22 ILE 61 9.784 -1.770 1.447 481 HG23 ILE 61 HG23 ILE 61 8.157 -2.457 1.679 482 HD11 ILE 61 HD11 ILE 61 5.448 1.569 1.923 483 HD12 ILE 61 HD12 ILE 61 6.382 1.301 3.416 484 HD13 ILE 61 HD13 ILE 61 7.159 2.036 1.993 485 H GLN 62 H GLN 62 8.624 -3.122 4.092 486 HA GLN 62 HA GLN 62 11.600 -3.168 4.105 487 HB2 GLN 62 HB2 GLN 62 9.652 -4.239 6.168 488 HB3 GLN 62 HB3 GLN 62 11.293 -4.902 5.989 489 HG2 GLN 62 HG2 GLN 62 12.270 -2.690 6.364 490 HG3 GLN 62 HG3 GLN 62 10.652 -1.966 6.462 491 HE21 GLN 62 HE21 GLN 62 11.863 -2.517 9.953 492 HE22 GLN 62 HE22 GLN 62 12.386 -1.583 8.566 493 H LYS 63 H LYS 63 12.378 -5.508 3.966 494 HA LYS 63 HA LYS 63 11.337 -6.660 1.605 495 HB2 LYS 63 HB2 LYS 63 12.912 -8.523 2.144 496 HB3 LYS 63 HB3 LYS 63 13.656 -6.914 2.239 497 HG2 LYS 63 HG2 LYS 63 13.340 -6.927 4.710 498 HG3 LYS 63 HG3 LYS 63 12.673 -8.572 4.598 499 HD2 LYS 63 HD2 LYS 63 14.790 -9.354 3.570 500 HD3 LYS 63 HD3 LYS 63 15.458 -7.710 3.714 501 HE2 LYS 63 HE2 LYS 63 15.142 -7.811 6.174 502 HE3 LYS 63 HE3 LYS 63 14.506 -9.462 6.019 503 HZ1 LYS 63 HZ1 LYS 63 17.206 -8.584 5.258 504 HZ2 LYS 63 HZ2 LYS 63 16.814 -9.460 6.599 505 HZ3 LYS 63 HZ3 LYS 63 16.617 -10.115 5.100 506 H GLU 64 H GLU 64 9.581 -7.861 1.269 507 HA GLU 64 HA GLU 64 7.708 -9.087 1.714 508 HB2 GLU 64 HB2 GLU 64 9.852 -10.714 3.134 509 HB3 GLU 64 HB3 GLU 64 8.231 -11.308 2.709 510 HG2 GLU 64 HG2 GLU 64 9.554 -12.024 0.906 511 HG3 GLU 64 HG3 GLU 64 8.780 -10.550 0.295 512 H SER 65 H SER 65 7.844 -6.889 3.437 513 HA SER 65 HA SER 65 7.048 -7.987 6.071 514 HB2 SER 65 HB2 SER 65 8.757 -6.035 5.629 515 HB3 SER 65 HB3 SER 65 7.287 -5.049 5.447 516 HG SER 65 HG SER 65 8.118 -5.192 7.624 517 H THR 66 H THR 66 5.160 -6.702 7.112 518 HA THR 66 HA THR 66 2.961 -6.784 5.136 519 HB THR 66 HB THR 66 2.875 -6.843 8.175 520 HG1 THR 66 HG1 THR 66 2.544 -9.092 7.786 521 HG21 THR 66 HG21 THR 66 0.824 -7.565 6.035 522 HG22 THR 66 HG22 THR 66 0.601 -7.746 7.789 523 HG23 THR 66 HG23 THR 66 0.770 -6.125 7.081 524 H LEU 67 H LEU 67 1.687 -5.081 4.680 525 HA LEU 67 HA LEU 67 2.215 -2.515 6.107 526 HB2 LEU 67 HB2 LEU 67 1.478 -3.227 3.257 527 HB3 LEU 67 HB3 LEU 67 1.001 -1.659 3.938 528 HG LEU 67 HG LEU 67 3.436 -1.330 4.622 529 HD11 LEU 67 HD11 LEU 67 5.085 -2.631 3.256 530 HD12 LEU 67 HD12 LEU 67 4.208 -3.655 4.411 531 HD13 LEU 67 HD13 LEU 67 3.758 -3.672 2.690 532 HD21 LEU 67 HD21 LEU 67 2.754 -1.589 1.661 533 HD22 LEU 67 HD22 LEU 67 2.370 -0.197 2.701 534 HD23 LEU 67 HD23 LEU 67 4.064 -0.598 2.344 535 H HIS 68 H HIS 68 0.123 -1.055 5.892 536 HA HIS 68 HA HIS 68 -2.265 -2.738 6.466 537 HB2 HIS 68 HB2 HIS 68 -1.051 -1.866 8.520 538 HB3 HIS 68 HB3 HIS 68 -1.446 -0.233 7.972 539 HD1 HIS 68 HD1 HIS 68 -2.668 -2.513 10.386 540 HD2 HIS 68 HD2 HIS 68 -4.433 -0.303 7.274 541 HE1 HIS 68 HE1 HIS 68 -5.162 -2.332 10.940 542 H LEU 69 H LEU 69 -4.065 -2.087 5.350 543 HA LEU 69 HA LEU 69 -3.829 0.500 3.880 544 HB2 LEU 69 HB2 LEU 69 -3.542 -1.609 2.525 545 HB3 LEU 69 HB3 LEU 69 -5.185 -2.075 3.001 546 HG LEU 69 HG LEU 69 -5.944 0.183 2.015 547 HD11 LEU 69 HD11 LEU 69 -4.444 1.172 0.340 548 HD12 LEU 69 HD12 LEU 69 -3.640 1.172 1.925 549 HD13 LEU 69 HD13 LEU 69 -3.198 -0.043 0.707 550 HD21 LEU 69 HD21 LEU 69 -5.954 -0.732 -0.277 551 HD22 LEU 69 HD22 LEU 69 -4.691 -1.901 0.179 552 HD23 LEU 69 HD23 LEU 69 -6.308 -2.001 0.916 553 H ALA 70 H ALA 70 -5.734 1.704 3.562 554 HA ALA 70 HA ALA 70 -8.111 0.863 5.162 555 HB1 ALA 70 HB1 ALA 70 -7.227 2.658 6.421 556 HB2 ALA 70 HB2 ALA 70 -6.657 3.519 4.964 557 HB3 ALA 70 HB3 ALA 70 -8.392 3.451 5.352 558 H LEU 71 H LEU 71 -10.101 1.186 4.146 559 HA LEU 71 HA LEU 71 -9.947 2.217 1.349 560 HB2 LEU 71 HB2 LEU 71 -11.570 -0.066 2.537 561 HB3 LEU 71 HB3 LEU 71 -11.908 0.655 0.959 562 HG LEU 71 HG LEU 71 -10.630 -1.284 0.527 563 HD11 LEU 71 HD11 LEU 71 -9.950 0.772 -0.723 564 HD12 LEU 71 HD12 LEU 71 -8.653 1.030 0.469 565 HD13 LEU 71 HD13 LEU 71 -8.637 -0.418 -0.559 566 HD21 LEU 71 HD21 LEU 71 -9.743 -1.560 2.851 567 HD22 LEU 71 HD22 LEU 71 -8.535 -1.852 1.578 568 HD23 LEU 71 HD23 LEU 71 -8.511 -0.328 2.485 569 H ARG 72 H ARG 72 -12.313 2.742 0.585 570 HA ARG 72 HA ARG 72 -13.202 4.951 2.162 571 HB2 ARG 72 HB2 ARG 72 -14.981 5.098 0.458 572 HB3 ARG 72 HB3 ARG 72 -13.395 4.831 -0.301 573 HG2 ARG 72 HG2 ARG 72 -13.877 2.418 -0.496 574 HG3 ARG 72 HG3 ARG 72 -15.450 2.654 0.300 575 HD2 ARG 72 HD2 ARG 72 -14.594 3.983 -2.300 576 HD3 ARG 72 HD3 ARG 72 -15.617 2.537 -2.191 577 HE ARG 72 HE ARG 72 -16.911 4.376 -0.598 578 HH11 ARG 72 HH11 ARG 72 -15.756 4.305 -3.939 579 HH12 ARG 72 HH12 ARG 72 -17.015 5.356 -4.543 580 HH21 ARG 72 HH21 ARG 72 -18.561 5.793 -1.389 581 HH22 ARG 72 HH22 ARG 72 -18.599 6.229 -3.080 582 H LEU 73 H LEU 73 -15.593 5.210 2.749 583 HA LEU 73 HA LEU 73 -16.425 2.885 4.378 584 HB2 LEU 73 HB2 LEU 73 -17.476 5.740 4.178 585 HB3 LEU 73 HB3 LEU 73 -18.025 4.519 5.344 586 HG LEU 73 HG LEU 73 -15.168 5.568 5.122 587 HD11 LEU 73 HD11 LEU 73 -15.676 6.730 7.235 588 HD12 LEU 73 HD12 LEU 73 -16.771 7.272 5.942 589 HD13 LEU 73 HD13 LEU 73 -17.349 6.125 7.175 590 HD21 LEU 73 HD21 LEU 73 -14.878 4.399 7.296 591 HD22 LEU 73 HD22 LEU 73 -16.535 3.766 7.166 592 HD23 LEU 73 HD23 LEU 73 -15.293 3.262 5.994 593 H ARG 74 H ARG 74 -18.871 2.406 4.344 594 HA ARG 74 HA ARG 74 -19.715 2.210 1.534 595 HB2 ARG 74 HB2 ARG 74 -19.897 0.311 3.220 596 HB3 ARG 74 HB3 ARG 74 -21.201 1.241 4.003 597 HG2 ARG 74 HG2 ARG 74 -22.466 1.269 1.883 598 HG3 ARG 74 HG3 ARG 74 -21.121 0.444 1.062 599 HD2 ARG 74 HD2 ARG 74 -22.740 -1.238 1.546 600 HD3 ARG 74 HD3 ARG 74 -21.414 -1.463 2.705 601 HE ARG 74 HE ARG 74 -23.159 0.165 4.059 602 HH11 ARG 74 HH11 ARG 74 -23.591 -2.847 2.246 603 HH12 ARG 74 HH12 ARG 74 -24.898 -3.414 3.259 604 HH21 ARG 74 HH21 ARG 74 -24.895 -0.585 5.368 605 HH22 ARG 74 HH22 ARG 74 -25.652 -2.125 5.021 606 H GLY 75 H GLY 75 -20.517 3.910 4.541 607 HA2 GLY 75 HA2 GLY 75 -21.423 6.117 4.473 608 HA3 GLY 75 HA3 GLY 75 -22.280 5.712 2.972 609 H GLY 76 H GLY 76 -22.717 2.981 4.658 610 HA2 GLY 76 HA2 GLY 76 -24.336 3.333 6.834 611 HA3 GLY 76 HA3 GLY 76 -25.413 3.687 5.461 Start of MODEL 10 1 H1 MET 1 H MET 1 11.302 -8.695 -1.020 2 HA MET 1 HA MET 1 11.872 -8.418 -3.913 3 HB2 MET 1 HB2 MET 1 12.471 -10.641 -2.959 4 HB3 MET 1 HB3 MET 1 10.783 -10.844 -2.438 5 HG2 MET 1 HG2 MET 1 10.038 -10.602 -4.775 6 HG3 MET 1 HG3 MET 1 11.711 -10.387 -5.304 7 HE1 MET 1 HE1 MET 1 13.282 -13.790 -5.331 8 HE2 MET 1 HE2 MET 1 13.180 -12.179 -6.081 9 HE3 MET 1 HE3 MET 1 13.577 -12.333 -4.353 10 H GLN 2 H GLN 2 9.282 -9.379 -1.583 11 HA GLN 2 HA GLN 2 7.373 -7.774 -3.214 12 HB2 GLN 2 HB2 GLN 2 7.059 -10.584 -2.092 13 HB3 GLN 2 HB3 GLN 2 5.678 -9.570 -2.564 14 HG2 GLN 2 HG2 GLN 2 6.601 -9.351 -4.845 15 HG3 GLN 2 HG3 GLN 2 7.978 -10.373 -4.388 16 HE21 GLN 2 HE21 GLN 2 4.933 -12.231 -5.982 17 HE22 GLN 2 HE22 GLN 2 5.585 -10.648 -6.347 18 H ILE 3 H ILE 3 5.261 -7.529 -1.783 19 HA ILE 3 HA ILE 3 5.966 -7.317 1.084 20 HB ILE 3 HB ILE 3 5.053 -5.042 1.196 21 HG12 ILE 3 HG12 ILE 3 4.927 -5.209 -1.847 22 HG13 ILE 3 HG13 ILE 3 3.522 -5.242 -0.760 23 HG21 ILE 3 HG21 ILE 3 6.922 -3.886 0.119 24 HG22 ILE 3 HG22 ILE 3 7.491 -5.419 0.813 25 HG23 ILE 3 HG23 ILE 3 7.214 -5.284 -0.940 26 HD11 ILE 3 HD11 ILE 3 5.523 -2.961 -1.050 27 HD12 ILE 3 HD12 ILE 3 3.840 -2.973 -1.619 28 HD13 ILE 3 HD13 ILE 3 4.188 -3.003 0.126 29 H PHE 4 H PHE 4 3.809 -6.626 2.305 30 HA PHE 4 HA PHE 4 1.532 -8.012 0.978 31 HB2 PHE 4 HB2 PHE 4 2.633 -8.462 3.771 32 HB3 PHE 4 HB3 PHE 4 1.074 -9.072 3.201 33 HD1 PHE 4 HD1 PHE 4 0.941 -10.862 1.532 34 HD2 PHE 4 HD2 PHE 4 4.727 -9.439 2.987 35 HE1 PHE 4 HE1 PHE 4 2.057 -12.858 0.578 36 HE2 PHE 4 HE2 PHE 4 5.844 -11.432 2.021 37 HZ PHE 4 HZ PHE 4 4.510 -13.137 0.810 38 H VAL 5 H VAL 5 0.117 -6.378 0.687 39 HA VAL 5 HA VAL 5 -0.293 -4.433 2.892 40 HB VAL 5 HB VAL 5 -1.373 -4.516 0.039 41 HG11 VAL 5 HG11 VAL 5 -2.042 -2.176 0.521 42 HG12 VAL 5 HG12 VAL 5 -2.851 -3.319 1.617 43 HG13 VAL 5 HG13 VAL 5 -1.467 -2.360 2.195 44 HG21 VAL 5 HG21 VAL 5 0.211 -2.636 -0.332 45 HG22 VAL 5 HG22 VAL 5 0.840 -2.852 1.317 46 HG23 VAL 5 HG23 VAL 5 1.061 -4.135 0.101 47 H LYS 6 H LYS 6 -1.829 -4.969 4.370 48 HA LYS 6 HA LYS 6 -3.924 -6.887 3.502 49 HB2 LYS 6 HB2 LYS 6 -2.443 -7.509 5.410 50 HB3 LYS 6 HB3 LYS 6 -3.039 -6.090 6.303 51 HG2 LYS 6 HG2 LYS 6 -5.345 -6.964 6.173 52 HG3 LYS 6 HG3 LYS 6 -4.773 -8.356 5.224 53 HD2 LYS 6 HD2 LYS 6 -3.316 -9.033 7.121 54 HD3 LYS 6 HD3 LYS 6 -3.938 -7.664 8.074 55 HE2 LYS 6 HE2 LYS 6 -6.225 -8.570 7.904 56 HE3 LYS 6 HE3 LYS 6 -5.629 -9.913 6.906 57 HZ1 LYS 6 HZ1 LYS 6 -4.278 -10.597 8.758 58 HZ2 LYS 6 HZ2 LYS 6 -4.862 -9.364 9.687 59 HZ3 LYS 6 HZ3 LYS 6 -5.872 -10.564 9.178 60 H THR 7 H THR 7 -5.815 -6.017 2.952 61 HA THR 7 HA THR 7 -6.523 -3.302 3.529 62 HB THR 7 HB THR 7 -8.672 -3.937 2.507 63 HG1 THR 7 HG1 THR 7 -9.038 -6.100 2.022 64 HG21 THR 7 HG21 THR 7 -6.308 -5.282 1.124 65 HG22 THR 7 HG22 THR 7 -7.818 -4.758 0.345 66 HG23 THR 7 HG23 THR 7 -6.706 -3.551 1.029 67 H ALA 8 H ALA 8 -8.741 -2.812 4.569 68 HA ALA 8 HA ALA 8 -8.721 -3.864 7.276 69 HB1 ALA 8 HB1 ALA 8 -10.607 -2.290 7.583 70 HB2 ALA 8 HB2 ALA 8 -9.219 -1.500 6.797 71 HB3 ALA 8 HB3 ALA 8 -10.631 -1.987 5.829 72 H THR 9 H THR 9 -9.937 -5.040 4.345 73 HA THR 9 HA THR 9 -12.368 -6.200 5.553 74 HB THR 9 HB THR 9 -12.756 -7.075 3.266 75 HG1 THR 9 HG1 THR 9 -11.320 -6.330 1.636 76 HG21 THR 9 HG21 THR 9 -12.027 -4.116 3.363 77 HG22 THR 9 HG22 THR 9 -13.124 -4.885 2.192 78 HG23 THR 9 HG23 THR 9 -13.564 -4.824 3.915 79 H GLY 10 H GLY 10 -9.059 -6.858 5.386 80 HA2 GLY 10 HA2 GLY 10 -8.168 -8.714 6.561 81 HA3 GLY 10 HA3 GLY 10 -9.598 -9.671 6.133 82 H LYS 11 H LYS 11 -8.916 -8.136 3.292 83 HA LYS 11 HA LYS 11 -7.681 -10.510 2.176 84 HB2 LYS 11 HB2 LYS 11 -8.398 -7.786 1.036 85 HB3 LYS 11 HB3 LYS 11 -7.566 -9.042 0.099 86 HG2 LYS 11 HG2 LYS 11 -9.466 -10.620 0.762 87 HG3 LYS 11 HG3 LYS 11 -10.351 -9.170 1.303 88 HD2 LYS 11 HD2 LYS 11 -10.209 -8.196 -0.928 89 HD3 LYS 11 HD3 LYS 11 -9.098 -9.479 -1.461 90 HE2 LYS 11 HE2 LYS 11 -10.909 -11.159 -1.021 91 HE3 LYS 11 HE3 LYS 11 -12.020 -9.814 -0.684 92 HZ1 LYS 11 HZ1 LYS 11 -10.584 -10.276 -3.210 93 HZ2 LYS 11 HZ2 LYS 11 -12.186 -10.554 -2.942 94 HZ3 LYS 11 HZ3 LYS 11 -11.602 -9.015 -2.905 95 H THR 12 H THR 12 -5.590 -10.967 2.540 96 HA THR 12 HA THR 12 -3.582 -8.855 2.789 97 HB THR 12 HB THR 12 -3.201 -11.841 2.342 98 HG1 THR 12 HG1 THR 12 -3.199 -11.975 4.590 99 HG21 THR 12 HG21 THR 12 -1.487 -9.696 3.672 100 HG22 THR 12 HG22 THR 12 -1.071 -11.421 3.536 101 HG23 THR 12 HG23 THR 12 -1.192 -10.418 2.072 102 H ILE 13 H ILE 13 -2.219 -8.154 1.119 103 HA ILE 13 HA ILE 13 -2.765 -9.351 -1.553 104 HB ILE 13 HB ILE 13 -2.373 -6.401 -0.937 105 HG12 ILE 13 HG12 ILE 13 -4.920 -7.933 -1.619 106 HG13 ILE 13 HG13 ILE 13 -4.516 -7.272 -0.021 107 HG21 ILE 13 HG21 ILE 13 -3.049 -6.114 -3.286 108 HG22 ILE 13 HG22 ILE 13 -1.635 -7.183 -3.184 109 HG23 ILE 13 HG23 ILE 13 -3.251 -7.874 -3.459 110 HD11 ILE 13 HD11 ILE 13 -6.010 -5.734 -1.209 111 HD12 ILE 13 HD12 ILE 13 -4.408 -4.990 -1.001 112 HD13 ILE 13 HD13 ILE 13 -4.883 -5.659 -2.580 113 H THR 14 H THR 14 -0.944 -10.393 -2.105 114 HA THR 14 HA THR 14 1.690 -9.535 -1.273 115 HB THR 14 HB THR 14 0.865 -11.414 -3.523 116 HG1 THR 14 HG1 THR 14 1.159 -13.003 -1.876 117 HG21 THR 14 HG21 THR 14 3.236 -10.690 -3.547 118 HG22 THR 14 HG22 THR 14 3.404 -11.184 -1.846 119 HG23 THR 14 HG23 THR 14 3.094 -12.406 -3.103 120 H LEU 15 H LEU 15 2.452 -7.594 -2.010 121 HA LEU 15 HA LEU 15 1.764 -6.864 -4.809 122 HB2 LEU 15 HB2 LEU 15 1.054 -5.458 -2.708 123 HB3 LEU 15 HB3 LEU 15 2.747 -4.929 -2.714 124 HG LEU 15 HG LEU 15 2.434 -4.265 -5.145 125 HD11 LEU 15 HD11 LEU 15 -0.477 -4.843 -4.435 126 HD12 LEU 15 HD12 LEU 15 0.060 -3.967 -5.886 127 HD13 LEU 15 HD13 LEU 15 0.491 -5.677 -5.674 128 HD21 LEU 15 HD21 LEU 15 0.600 -2.991 -3.070 129 HD22 LEU 15 HD22 LEU 15 2.327 -2.630 -3.305 130 HD23 LEU 15 HD23 LEU 15 1.151 -2.216 -4.573 131 H GLU 16 H GLU 16 3.409 -5.764 -6.072 132 HA GLU 16 HA GLU 16 6.182 -6.145 -5.111 133 HB2 GLU 16 HB2 GLU 16 5.456 -8.108 -6.496 134 HB3 GLU 16 HB3 GLU 16 5.182 -6.997 -7.858 135 HG2 GLU 16 HG2 GLU 16 7.536 -6.327 -7.826 136 HG3 GLU 16 HG3 GLU 16 7.822 -7.295 -6.365 137 H VAL 17 H VAL 17 6.996 -4.106 -5.099 138 HA VAL 17 HA VAL 17 6.245 -2.344 -7.390 139 HB VAL 17 HB VAL 17 6.288 -0.457 -5.778 140 HG11 VAL 17 HG11 VAL 17 4.173 -1.013 -4.621 141 HG12 VAL 17 HG12 VAL 17 4.150 -1.552 -6.314 142 HG13 VAL 17 HG13 VAL 17 4.412 -2.732 -5.008 143 HG21 VAL 17 HG21 VAL 17 7.808 -1.476 -4.108 144 HG22 VAL 17 HG22 VAL 17 6.291 -0.936 -3.357 145 HG23 VAL 17 HG23 VAL 17 6.550 -2.664 -3.689 146 H GLU 18 H GLU 18 7.788 -0.557 -7.767 147 HA GLU 18 HA GLU 18 10.546 -1.488 -7.622 148 HB2 GLU 18 HB2 GLU 18 9.148 0.952 -8.766 149 HB3 GLU 18 HB3 GLU 18 10.914 0.775 -8.768 150 HG2 GLU 18 HG2 GLU 18 9.994 0.011 -10.904 151 HG3 GLU 18 HG3 GLU 18 10.719 -1.342 -10.019 152 HA PRO 19 HA PRO 19 11.429 0.183 -3.725 153 HB2 PRO 19 HB2 PRO 19 14.130 0.825 -4.869 154 HB3 PRO 19 HB3 PRO 19 13.719 -0.088 -3.381 155 HG2 PRO 19 HG2 PRO 19 14.496 -1.351 -5.678 156 HG3 PRO 19 HG3 PRO 19 13.243 -2.047 -4.598 157 HD2 PRO 19 HD2 PRO 19 12.902 -0.638 -7.224 158 HD3 PRO 19 HD3 PRO 19 11.936 -1.961 -6.497 159 H SER 20 H SER 20 11.943 2.229 -6.583 160 HA SER 20 HA SER 20 11.995 4.580 -4.749 161 HB2 SER 20 HB2 SER 20 13.539 4.157 -7.331 162 HB3 SER 20 HB3 SER 20 13.534 5.646 -6.358 163 HG SER 20 HG SER 20 14.338 3.070 -5.466 164 H ASP 21 H ASP 21 9.790 3.168 -6.470 165 HA ASP 21 HA ASP 21 9.154 5.327 -8.370 166 HB2 ASP 21 HB2 ASP 21 8.013 2.628 -7.693 167 HB3 ASP 21 HB3 ASP 21 6.990 3.830 -8.507 168 H THR 22 H THR 22 9.068 5.175 -5.134 169 HA THR 22 HA THR 22 8.102 6.579 -3.624 170 HB THR 22 HB THR 22 6.188 7.477 -5.811 171 HG1 THR 22 HG1 THR 22 8.402 7.675 -6.409 172 HG21 THR 22 HG21 THR 22 6.197 9.578 -4.478 173 HG22 THR 22 HG22 THR 22 5.562 8.200 -3.554 174 HG23 THR 22 HG23 THR 22 7.220 8.781 -3.260 175 H ILE 23 H ILE 23 6.108 6.746 -2.308 176 HA ILE 23 HA ILE 23 4.857 4.279 -1.885 177 HB ILE 23 HB ILE 23 4.028 7.123 -1.192 178 HG12 ILE 23 HG12 ILE 23 6.185 6.285 -0.246 179 HG13 ILE 23 HG13 ILE 23 4.960 6.615 0.994 180 HG21 ILE 23 HG21 ILE 23 2.906 4.478 -0.181 181 HG22 ILE 23 HG22 ILE 23 2.565 6.073 0.530 182 HG23 ILE 23 HG23 ILE 23 2.036 5.709 -1.127 183 HD11 ILE 23 HD11 ILE 23 6.160 4.483 1.415 184 HD12 ILE 23 HD12 ILE 23 4.423 4.224 1.153 185 HD13 ILE 23 HD13 ILE 23 5.584 3.857 -0.145 186 H GLU 24 H GLU 24 4.090 6.854 -4.162 187 HA GLU 24 HA GLU 24 1.378 6.369 -4.642 188 HB2 GLU 24 HB2 GLU 24 2.632 8.253 -5.590 189 HB3 GLU 24 HB3 GLU 24 3.599 7.134 -6.578 190 HG2 GLU 24 HG2 GLU 24 1.507 6.364 -7.701 191 HG3 GLU 24 HG3 GLU 24 0.587 7.550 -6.752 192 H ASN 25 H ASN 25 4.252 4.536 -5.671 193 HA ASN 25 HA ASN 25 2.937 3.041 -7.710 194 HB2 ASN 25 HB2 ASN 25 5.423 3.385 -7.348 195 HB3 ASN 25 HB3 ASN 25 5.328 2.197 -6.035 196 HD21 ASN 25 HD21 ASN 25 6.376 0.180 -8.897 197 HD22 ASN 25 HD22 ASN 25 7.013 1.274 -7.690 198 H VAL 26 H VAL 26 3.197 2.657 -4.183 199 HA VAL 26 HA VAL 26 2.389 -0.090 -4.120 200 HB VAL 26 HB VAL 26 2.067 2.111 -2.036 201 HG11 VAL 26 HG11 VAL 26 0.677 0.114 -1.584 202 HG12 VAL 26 HG12 VAL 26 2.106 -0.927 -1.787 203 HG13 VAL 26 HG13 VAL 26 2.029 0.225 -0.433 204 HG21 VAL 26 HG21 VAL 26 4.291 0.077 -2.496 205 HG22 VAL 26 HG22 VAL 26 4.409 1.830 -2.775 206 HG23 VAL 26 HG23 VAL 26 4.187 1.206 -1.125 207 H LYS 27 H LYS 27 0.669 3.012 -4.311 208 HA LYS 27 HA LYS 27 -1.938 1.773 -3.871 209 HB2 LYS 27 HB2 LYS 27 -1.117 4.538 -4.858 210 HB3 LYS 27 HB3 LYS 27 -2.768 4.046 -4.420 211 HG2 LYS 27 HG2 LYS 27 -1.954 3.490 -2.121 212 HG3 LYS 27 HG3 LYS 27 -0.344 4.100 -2.568 213 HD2 LYS 27 HD2 LYS 27 -2.928 5.723 -2.632 214 HD3 LYS 27 HD3 LYS 27 -1.691 5.807 -1.358 215 HE2 LYS 27 HE2 LYS 27 -0.008 6.487 -3.061 216 HE3 LYS 27 HE3 LYS 27 -1.276 6.462 -4.304 217 HZ1 LYS 27 HZ1 LYS 27 -1.241 8.179 -1.918 218 HZ2 LYS 27 HZ2 LYS 27 -0.915 8.657 -3.462 219 HZ3 LYS 27 HZ3 LYS 27 -2.430 8.149 -3.061 220 H ALA 28 H ALA 28 0.184 2.606 -6.582 221 HA ALA 28 HA ALA 28 -1.893 2.534 -8.567 222 HB1 ALA 28 HB1 ALA 28 0.220 3.792 -8.829 223 HB2 ALA 28 HB2 ALA 28 1.129 2.261 -8.825 224 HB3 ALA 28 HB3 ALA 28 -0.006 2.620 -10.148 225 H LYS 29 H LYS 29 0.414 0.106 -7.264 226 HA LYS 29 HA LYS 29 -0.266 -1.815 -9.330 227 HB2 LYS 29 HB2 LYS 29 1.163 -2.086 -6.660 228 HB3 LYS 29 HB3 LYS 29 1.028 -3.384 -7.866 229 HG2 LYS 29 HG2 LYS 29 2.267 -0.655 -8.415 230 HG3 LYS 29 HG3 LYS 29 3.191 -2.110 -7.987 231 HD2 LYS 29 HD2 LYS 29 2.279 -3.277 -9.971 232 HD3 LYS 29 HD3 LYS 29 1.388 -1.802 -10.423 233 HE2 LYS 29 HE2 LYS 29 3.519 -0.559 -10.569 234 HE3 LYS 29 HE3 LYS 29 4.411 -2.024 -10.110 235 HZ1 LYS 29 HZ1 LYS 29 4.390 -1.687 -12.472 236 HZ2 LYS 29 HZ2 LYS 29 3.587 -3.076 -12.084 237 HZ3 LYS 29 HZ3 LYS 29 2.743 -1.725 -12.508 238 H ILE 30 H ILE 30 -1.700 -0.791 -6.315 239 HA ILE 30 HA ILE 30 -3.266 -3.287 -6.099 240 HB ILE 30 HB ILE 30 -3.242 -0.693 -4.498 241 HG12 ILE 30 HG12 ILE 30 -2.372 -3.520 -3.757 242 HG13 ILE 30 HG13 ILE 30 -1.259 -2.252 -4.312 243 HG21 ILE 30 HG21 ILE 30 -4.790 -3.284 -4.044 244 HG22 ILE 30 HG22 ILE 30 -4.726 -1.908 -2.920 245 HG23 ILE 30 HG23 ILE 30 -5.495 -1.717 -4.506 246 HD11 ILE 30 HD11 ILE 30 -3.058 -2.057 -1.858 247 HD12 ILE 30 HD12 ILE 30 -1.310 -2.385 -1.841 248 HD13 ILE 30 HD13 ILE 30 -1.917 -0.816 -2.419 249 H GLN 31 H GLN 31 -3.435 -0.043 -7.460 250 HA GLN 31 HA GLN 31 -6.274 0.104 -7.736 251 HB2 GLN 31 HB2 GLN 31 -4.718 2.021 -8.060 252 HB3 GLN 31 HB3 GLN 31 -4.069 1.228 -9.513 253 HG2 GLN 31 HG2 GLN 31 -6.389 1.219 -10.475 254 HG3 GLN 31 HG3 GLN 31 -6.938 2.148 -9.066 255 HE21 GLN 31 HE21 GLN 31 -5.500 4.093 -12.238 256 HE22 GLN 31 HE22 GLN 31 -6.137 2.463 -12.227 257 H ASP 32 H ASP 32 -3.688 -1.552 -9.503 258 HA ASP 32 HA ASP 32 -5.353 -2.236 -11.776 259 HB2 ASP 32 HB2 ASP 32 -2.894 -1.961 -11.908 260 HB3 ASP 32 HB3 ASP 32 -2.685 -3.335 -10.804 261 H LYS 33 H LYS 33 -4.639 -3.615 -8.605 262 HA LYS 33 HA LYS 33 -5.655 -6.240 -9.470 263 HB2 LYS 33 HB2 LYS 33 -3.517 -5.923 -8.135 264 HB3 LYS 33 HB3 LYS 33 -4.535 -5.421 -6.770 265 HG2 LYS 33 HG2 LYS 33 -4.062 -7.782 -6.523 266 HG3 LYS 33 HG3 LYS 33 -5.770 -7.627 -6.992 267 HD2 LYS 33 HD2 LYS 33 -5.206 -8.149 -9.324 268 HD3 LYS 33 HD3 LYS 33 -3.472 -8.166 -8.926 269 HE2 LYS 33 HE2 LYS 33 -3.854 -10.051 -7.367 270 HE3 LYS 33 HE3 LYS 33 -5.579 -10.046 -7.784 271 HZ1 LYS 33 HZ1 LYS 33 -4.350 -11.680 -9.020 272 HZ2 LYS 33 HZ2 LYS 33 -4.981 -10.544 -10.035 273 HZ3 LYS 33 HZ3 LYS 33 -3.374 -10.519 -9.668 274 H GLU 34 H GLU 34 -6.207 -3.926 -6.745 275 HA GLU 34 HA GLU 34 -8.698 -5.304 -6.077 276 HB2 GLU 34 HB2 GLU 34 -6.960 -4.362 -4.443 277 HB3 GLU 34 HB3 GLU 34 -7.556 -2.750 -4.885 278 HG2 GLU 34 HG2 GLU 34 -8.650 -3.601 -2.834 279 HG3 GLU 34 HG3 GLU 34 -9.823 -3.380 -4.146 280 H GLY 35 H GLY 35 -7.665 -2.685 -8.078 281 HA2 GLY 35 HA2 GLY 35 -8.941 -1.518 -9.605 282 HA3 GLY 35 HA3 GLY 35 -10.406 -2.210 -8.894 283 H ILE 36 H ILE 36 -8.995 -1.117 -6.191 284 HA ILE 36 HA ILE 36 -10.680 1.229 -6.108 285 HB ILE 36 HB ILE 36 -8.621 0.179 -4.128 286 HG12 ILE 36 HG12 ILE 36 -11.640 -0.223 -4.253 287 HG13 ILE 36 HG13 ILE 36 -10.441 -1.434 -4.751 288 HG21 ILE 36 HG21 ILE 36 -10.051 1.502 -2.510 289 HG22 ILE 36 HG22 ILE 36 -9.176 2.510 -3.684 290 HG23 ILE 36 HG23 ILE 36 -10.910 2.180 -3.907 291 HD11 ILE 36 HD11 ILE 36 -10.771 -0.261 -1.960 292 HD12 ILE 36 HD12 ILE 36 -11.156 -1.917 -2.473 293 HD13 ILE 36 HD13 ILE 36 -9.464 -1.367 -2.447 294 HA PRO 37 HA PRO 37 -7.493 3.926 -7.742 295 HB2 PRO 37 HB2 PRO 37 -9.455 6.038 -6.991 296 HB3 PRO 37 HB3 PRO 37 -8.711 5.706 -8.587 297 HG2 PRO 37 HG2 PRO 37 -11.338 5.108 -8.028 298 HG3 PRO 37 HG3 PRO 37 -10.331 4.111 -9.129 299 HD2 PRO 37 HD2 PRO 37 -11.087 3.585 -6.264 300 HD3 PRO 37 HD3 PRO 37 -10.904 2.437 -7.624 301 HA PRO 38 HA PRO 38 -5.566 5.696 -4.183 302 HB2 PRO 38 HB2 PRO 38 -5.447 8.371 -5.498 303 HB3 PRO 38 HB3 PRO 38 -4.106 7.355 -4.880 304 HG2 PRO 38 HG2 PRO 38 -4.621 7.634 -7.564 305 HG3 PRO 38 HG3 PRO 38 -4.005 6.104 -6.858 306 HD2 PRO 38 HD2 PRO 38 -6.802 6.797 -7.716 307 HD3 PRO 38 HD3 PRO 38 -5.934 5.233 -7.809 308 H ASP 39 H ASP 39 -5.726 7.505 -2.539 309 HA ASP 39 HA ASP 39 -6.832 8.908 -1.167 310 HB2 ASP 39 HB2 ASP 39 -7.331 10.189 -3.272 311 HB3 ASP 39 HB3 ASP 39 -8.882 9.326 -3.363 312 H GLN 40 H GLN 40 -9.032 6.731 -3.012 313 HA GLN 40 HA GLN 40 -10.935 6.496 -0.871 314 HB2 GLN 40 HB2 GLN 40 -10.264 4.751 -3.274 315 HB3 GLN 40 HB3 GLN 40 -11.610 4.420 -2.158 316 HG2 GLN 40 HG2 GLN 40 -12.572 6.640 -2.632 317 HG3 GLN 40 HG3 GLN 40 -11.222 7.005 -3.725 318 HE21 GLN 40 HE21 GLN 40 -12.821 5.599 -6.496 319 HE22 GLN 40 HE22 GLN 40 -11.662 6.732 -5.837 320 H GLN 41 H GLN 41 -7.737 5.350 -1.401 321 HA GLN 41 HA GLN 41 -8.044 3.408 0.828 322 HB2 GLN 41 HB2 GLN 41 -6.171 2.182 -0.122 323 HB3 GLN 41 HB3 GLN 41 -7.430 2.381 -1.360 324 HG2 GLN 41 HG2 GLN 41 -6.188 4.369 -2.244 325 HG3 GLN 41 HG3 GLN 41 -4.898 4.051 -1.065 326 HE21 GLN 41 HE21 GLN 41 -5.045 2.027 -4.587 327 HE22 GLN 41 HE22 GLN 41 -6.128 3.341 -4.189 328 H ARG 42 H ARG 42 -6.188 3.304 2.303 329 HA ARG 42 HA ARG 42 -4.398 5.667 2.302 330 HB2 ARG 42 HB2 ARG 42 -6.516 4.954 4.337 331 HB3 ARG 42 HB3 ARG 42 -5.030 5.785 4.847 332 HG2 ARG 42 HG2 ARG 42 -5.470 7.678 3.504 333 HG3 ARG 42 HG3 ARG 42 -6.679 6.823 2.522 334 HD2 ARG 42 HD2 ARG 42 -7.065 7.257 5.495 335 HD3 ARG 42 HD3 ARG 42 -7.562 8.463 4.292 336 HE ARG 42 HE ARG 42 -9.015 6.745 3.277 337 HH11 ARG 42 HH11 ARG 42 -7.915 6.284 6.609 338 HH12 ARG 42 HH12 ARG 42 -9.222 5.199 7.027 339 HH21 ARG 42 HH21 ARG 42 -10.727 5.314 3.831 340 HH22 ARG 42 HH22 ARG 42 -10.822 4.644 5.444 341 H LEU 43 H LEU 43 -2.380 4.996 2.710 342 HA LEU 43 HA LEU 43 -1.988 2.248 3.715 343 HB2 LEU 43 HB2 LEU 43 -0.346 4.314 2.231 344 HB3 LEU 43 HB3 LEU 43 0.451 2.945 3.031 345 HG LEU 43 HG LEU 43 -1.826 2.604 1.045 346 HD11 LEU 43 HD11 LEU 43 -0.068 2.002 -0.579 347 HD12 LEU 43 HD12 LEU 43 0.136 3.680 -0.026 348 HD13 LEU 43 HD13 LEU 43 1.187 2.398 0.621 349 HD21 LEU 43 HD21 LEU 43 -0.940 0.278 0.965 350 HD22 LEU 43 HD22 LEU 43 0.274 0.705 2.192 351 HD23 LEU 43 HD23 LEU 43 -1.455 0.714 2.610 352 H ALA 44 H ALA 44 -0.415 1.758 5.342 353 HA ALA 44 HA ALA 44 0.815 3.857 6.907 354 HB1 ALA 44 HB1 ALA 44 -0.339 3.297 9.020 355 HB2 ALA 44 HB2 ALA 44 -1.484 3.943 7.821 356 HB3 ALA 44 HB3 ALA 44 -1.421 2.192 8.139 357 H PHE 45 H PHE 45 2.001 2.834 8.815 358 HA PHE 45 HA PHE 45 2.469 -0.067 8.535 359 HB2 PHE 45 HB2 PHE 45 4.103 1.170 7.078 360 HB3 PHE 45 HB3 PHE 45 4.708 1.985 8.524 361 HD1 PHE 45 HD1 PHE 45 5.531 0.427 10.471 362 HD2 PHE 45 HD2 PHE 45 5.030 -0.872 6.407 363 HE1 PHE 45 HE1 PHE 45 7.068 -1.473 10.887 364 HE2 PHE 45 HE2 PHE 45 6.572 -2.765 6.821 365 HZ PHE 45 HZ PHE 45 7.595 -3.065 9.061 366 H ALA 46 H ALA 46 2.018 -0.798 10.539 367 HA ALA 46 HA ALA 46 1.865 -0.914 12.803 368 HB1 ALA 46 HB1 ALA 46 4.304 -1.179 12.564 369 HB2 ALA 46 HB2 ALA 46 4.508 0.585 12.691 370 HB3 ALA 46 HB3 ALA 46 3.881 -0.340 14.075 371 H GLY 47 H GLY 47 0.911 1.593 11.279 372 HA2 GLY 47 HA2 GLY 47 -0.650 3.093 12.265 373 HA3 GLY 47 HA3 GLY 47 0.347 3.161 13.733 374 H LYS 48 H LYS 48 2.708 3.292 11.559 375 HA LYS 48 HA LYS 48 2.892 6.190 11.643 376 HB2 LYS 48 HB2 LYS 48 4.616 4.126 10.208 377 HB3 LYS 48 HB3 LYS 48 5.045 5.820 10.534 378 HG2 LYS 48 HG2 LYS 48 4.903 5.390 12.968 379 HG3 LYS 48 HG3 LYS 48 4.484 3.692 12.645 380 HD2 LYS 48 HD2 LYS 48 6.639 3.368 11.485 381 HD3 LYS 48 HD3 LYS 48 7.060 5.073 11.775 382 HE2 LYS 48 HE2 LYS 48 6.929 4.693 14.215 383 HE3 LYS 48 HE3 LYS 48 6.498 2.994 13.932 384 HZ1 LYS 48 HZ1 LYS 48 8.822 3.259 14.395 385 HZ2 LYS 48 HZ2 LYS 48 8.609 2.700 12.858 386 HZ3 LYS 48 HZ3 LYS 48 9.009 4.280 13.113 387 H GLN 49 H GLN 49 2.009 7.539 10.172 388 HA GLN 49 HA GLN 49 0.604 6.521 7.893 389 HB2 GLN 49 HB2 GLN 49 0.212 8.903 7.397 390 HB3 GLN 49 HB3 GLN 49 -0.080 8.548 9.113 391 HG2 GLN 49 HG2 GLN 49 2.175 9.406 9.672 392 HG3 GLN 49 HG3 GLN 49 2.466 9.760 7.956 393 HE21 GLN 49 HE21 GLN 49 0.980 12.682 10.097 394 HE22 GLN 49 HE22 GLN 49 2.098 11.426 10.586 395 H LEU 50 H LEU 50 1.104 6.576 5.704 396 HA LEU 50 HA LEU 50 3.949 7.209 5.063 397 HB2 LEU 50 HB2 LEU 50 1.964 5.403 3.621 398 HB3 LEU 50 HB3 LEU 50 3.655 5.677 3.154 399 HG LEU 50 HG LEU 50 2.729 4.472 5.800 400 HD11 LEU 50 HD11 LEU 50 4.058 3.185 3.379 401 HD12 LEU 50 HD12 LEU 50 3.617 2.369 4.900 402 HD13 LEU 50 HD13 LEU 50 2.347 3.003 3.831 403 HD21 LEU 50 HD21 LEU 50 4.872 5.689 5.990 404 HD22 LEU 50 HD22 LEU 50 5.137 3.934 6.081 405 HD23 LEU 50 HD23 LEU 50 5.503 4.811 4.576 406 H GLU 51 H GLU 51 4.342 8.376 3.057 407 HA GLU 51 HA GLU 51 1.972 9.620 1.819 408 HB2 GLU 51 HB2 GLU 51 2.676 10.988 3.821 409 HB3 GLU 51 HB3 GLU 51 4.233 11.272 3.014 410 HG2 GLU 51 HG2 GLU 51 3.137 12.406 1.173 411 HG3 GLU 51 HG3 GLU 51 1.534 11.917 1.761 412 H ASP 52 H ASP 52 2.533 10.783 -0.184 413 HA ASP 52 HA ASP 52 4.602 9.356 -1.651 414 HB2 ASP 52 HB2 ASP 52 3.752 10.690 -3.556 415 HB3 ASP 52 HB3 ASP 52 2.445 9.864 -2.686 416 H GLY 53 H GLY 53 6.179 10.560 -3.028 417 HA2 GLY 53 HA2 GLY 53 7.449 12.526 -3.469 418 HA3 GLY 53 HA3 GLY 53 7.037 13.147 -1.859 419 H ARG 54 H ARG 54 7.721 9.889 -1.448 420 HA ARG 54 HA ARG 54 10.635 10.379 -1.140 421 HB2 ARG 54 HB2 ARG 54 9.531 10.920 0.993 422 HB3 ARG 54 HB3 ARG 54 8.748 9.326 1.004 423 HG2 ARG 54 HG2 ARG 54 10.927 8.218 1.138 424 HG3 ARG 54 HG3 ARG 54 11.761 9.786 1.008 425 HD2 ARG 54 HD2 ARG 54 10.757 10.538 3.105 426 HD3 ARG 54 HD3 ARG 54 9.793 9.050 3.212 427 HE ARG 54 HE ARG 54 12.562 8.386 3.029 428 HH11 ARG 54 HH11 ARG 54 10.208 9.812 5.253 429 HH12 ARG 54 HH12 ARG 54 10.977 9.172 6.683 430 HH21 ARG 54 HH21 ARG 54 13.602 7.593 4.914 431 HH22 ARG 54 HH22 ARG 54 12.932 7.923 6.498 432 H THR 55 H THR 55 11.918 8.471 -1.052 433 HA THR 55 HA THR 55 11.102 6.289 -2.672 434 HB THR 55 HB THR 55 13.301 6.473 -0.564 435 HG1 THR 55 HG1 THR 55 14.528 7.019 -2.489 436 HG21 THR 55 HG21 THR 55 14.420 4.761 -1.928 437 HG22 THR 55 HG22 THR 55 12.836 4.167 -1.378 438 HG23 THR 55 HG23 THR 55 13.043 4.737 -3.052 439 H LEU 56 H LEU 56 9.687 4.680 -2.176 440 HA LEU 56 HA LEU 56 8.511 4.536 0.391 441 HB2 LEU 56 HB2 LEU 56 7.333 2.574 -0.490 442 HB3 LEU 56 HB3 LEU 56 7.385 3.884 -1.679 443 HG LEU 56 HG LEU 56 9.590 2.587 -2.484 444 HD11 LEU 56 HD11 LEU 56 9.422 0.837 -0.706 445 HD12 LEU 56 HD12 LEU 56 7.801 0.413 -1.300 446 HD13 LEU 56 HD13 LEU 56 9.226 0.143 -2.329 447 HD21 LEU 56 HD21 LEU 56 6.703 1.800 -3.064 448 HD22 LEU 56 HD22 LEU 56 7.638 3.081 -3.872 449 HD23 LEU 56 HD23 LEU 56 8.093 1.375 -4.086 450 H SER 57 H SER 57 11.263 2.769 -1.035 451 HA SER 57 HA SER 57 11.319 0.777 1.042 452 HB2 SER 57 HB2 SER 57 13.447 1.734 -0.913 453 HB3 SER 57 HB3 SER 57 13.561 0.271 0.095 454 HG SER 57 HG SER 57 12.746 -0.134 -2.026 455 H ASP 58 H ASP 58 12.369 4.100 0.832 456 HA ASP 58 HA ASP 58 14.235 3.772 3.096 457 HB2 ASP 58 HB2 ASP 58 14.823 5.263 1.202 458 HB3 ASP 58 HB3 ASP 58 13.366 6.227 1.521 459 H TYR 59 H TYR 59 10.915 4.501 2.405 460 HA TYR 59 HA TYR 59 10.440 6.175 4.686 461 HB2 TYR 59 HB2 TYR 59 9.115 5.677 2.405 462 HB3 TYR 59 HB3 TYR 59 8.238 4.564 3.460 463 HD1 TYR 59 HD1 TYR 59 7.565 7.375 1.983 464 HD2 TYR 59 HD2 TYR 59 8.331 6.147 6.031 465 HE1 TYR 59 HE1 TYR 59 6.250 9.305 2.814 466 HE2 TYR 59 HE2 TYR 59 7.013 8.068 6.870 467 HH TYR 59 HH TYR 59 5.795 9.936 6.314 468 H ASN 60 H ASN 60 9.183 2.848 4.003 469 HA ASN 60 HA ASN 60 9.924 1.949 6.677 470 HB2 ASN 60 HB2 ASN 60 7.094 2.707 5.953 471 HB3 ASN 60 HB3 ASN 60 7.393 1.339 7.043 472 HD21 ASN 60 HD21 ASN 60 7.497 5.073 8.508 473 HD22 ASN 60 HD22 ASN 60 6.847 4.643 6.944 474 H ILE 61 H ILE 61 8.605 1.460 3.447 475 HA ILE 61 HA ILE 61 7.690 -1.193 3.681 476 HB ILE 61 HB ILE 61 8.890 0.414 1.403 477 HG12 ILE 61 HG12 ILE 61 6.532 -0.095 0.511 478 HG13 ILE 61 HG13 ILE 61 6.142 -0.689 2.138 479 HG21 ILE 61 HG21 ILE 61 8.247 -1.494 -0.079 480 HG22 ILE 61 HG22 ILE 61 9.582 -1.904 1.019 481 HG23 ILE 61 HG23 ILE 61 7.934 -2.478 1.370 482 HD11 ILE 61 HD11 ILE 61 5.538 1.745 1.679 483 HD12 ILE 61 HD12 ILE 61 6.592 1.501 3.096 484 HD13 ILE 61 HD13 ILE 61 7.273 2.082 1.564 485 H GLN 62 H GLN 62 8.656 -3.152 3.819 486 HA GLN 62 HA GLN 62 11.585 -3.316 3.394 487 HB2 GLN 62 HB2 GLN 62 10.015 -4.101 5.864 488 HB3 GLN 62 HB3 GLN 62 11.559 -4.886 5.452 489 HG2 GLN 62 HG2 GLN 62 12.704 -2.727 5.433 490 HG3 GLN 62 HG3 GLN 62 11.173 -1.879 5.723 491 HE21 GLN 62 HE21 GLN 62 11.989 -1.865 9.146 492 HE22 GLN 62 HE22 GLN 62 11.682 -0.942 7.692 493 H LYS 63 H LYS 63 12.240 -5.709 3.351 494 HA LYS 63 HA LYS 63 10.778 -6.928 1.253 495 HB2 LYS 63 HB2 LYS 63 12.357 -8.824 1.611 496 HB3 LYS 63 HB3 LYS 63 13.158 -7.246 1.479 497 HG2 LYS 63 HG2 LYS 63 13.295 -7.122 3.963 498 HG3 LYS 63 HG3 LYS 63 12.562 -8.742 4.067 499 HD2 LYS 63 HD2 LYS 63 14.423 -9.691 2.769 500 HD3 LYS 63 HD3 LYS 63 15.139 -8.072 2.589 501 HE2 LYS 63 HE2 LYS 63 15.336 -7.897 5.056 502 HE3 LYS 63 HE3 LYS 63 14.668 -9.534 5.220 503 HZ1 LYS 63 HZ1 LYS 63 17.131 -8.851 3.772 504 HZ2 LYS 63 HZ2 LYS 63 17.068 -9.483 5.293 505 HZ3 LYS 63 HZ3 LYS 63 16.530 -10.367 4.009 506 H GLU 64 H GLU 64 9.028 -8.118 1.246 507 HA GLU 64 HA GLU 64 7.223 -9.289 1.981 508 HB2 GLU 64 HB2 GLU 64 9.486 -10.848 3.284 509 HB3 GLU 64 HB3 GLU 64 7.826 -11.441 3.066 510 HG2 GLU 64 HG2 GLU 64 8.957 -12.304 1.203 511 HG3 GLU 64 HG3 GLU 64 8.157 -10.860 0.553 512 H SER 65 H SER 65 7.574 -6.959 3.545 513 HA SER 65 HA SER 65 6.938 -7.900 6.291 514 HB2 SER 65 HB2 SER 65 7.582 -5.161 5.132 515 HB3 SER 65 HB3 SER 65 7.105 -5.445 6.823 516 HG SER 65 HG SER 65 9.375 -5.452 6.565 517 H THR 66 H THR 66 5.085 -6.649 7.365 518 HA THR 66 HA THR 66 2.811 -6.733 5.472 519 HB THR 66 HB THR 66 2.861 -6.820 8.510 520 HG1 THR 66 HG1 THR 66 2.315 -9.023 6.874 521 HG21 THR 66 HG21 THR 66 0.700 -7.518 6.471 522 HG22 THR 66 HG22 THR 66 0.566 -7.708 8.235 523 HG23 THR 66 HG23 THR 66 0.709 -6.083 7.525 524 H LEU 67 H LEU 67 1.572 -5.003 5.040 525 HA LEU 67 HA LEU 67 2.048 -2.505 6.606 526 HB2 LEU 67 HB2 LEU 67 1.713 -3.047 3.668 527 HB3 LEU 67 HB3 LEU 67 0.976 -1.579 4.336 528 HG LEU 67 HG LEU 67 3.209 -1.025 5.396 529 HD11 LEU 67 HD11 LEU 67 4.157 -3.215 3.492 530 HD12 LEU 67 HD12 LEU 67 5.208 -2.081 4.367 531 HD13 LEU 67 HD13 LEU 67 4.245 -3.270 5.268 532 HD21 LEU 67 HD21 LEU 67 2.378 0.053 3.339 533 HD22 LEU 67 HD22 LEU 67 4.140 -0.174 3.262 534 HD23 LEU 67 HD23 LEU 67 3.064 -1.267 2.361 535 H HIS 68 H HIS 68 -0.003 -1.011 6.301 536 HA HIS 68 HA HIS 68 -2.428 -2.711 6.633 537 HB2 HIS 68 HB2 HIS 68 -1.525 -1.988 8.816 538 HB3 HIS 68 HB3 HIS 68 -1.580 -0.301 8.280 539 HD1 HIS 68 HD1 HIS 68 -4.135 -3.208 8.703 540 HD2 HIS 68 HD2 HIS 68 -3.744 0.977 8.887 541 HE1 HIS 68 HE1 HIS 68 -6.392 -2.298 9.489 542 H LEU 69 H LEU 69 -4.175 -2.064 5.486 543 HA LEU 69 HA LEU 69 -4.051 0.644 4.250 544 HB2 LEU 69 HB2 LEU 69 -3.549 -1.301 2.690 545 HB3 LEU 69 HB3 LEU 69 -5.198 -1.878 3.003 546 HG LEU 69 HG LEU 69 -5.969 0.486 2.270 547 HD11 LEU 69 HD11 LEU 69 -4.412 1.683 0.795 548 HD12 LEU 69 HD12 LEU 69 -3.671 1.491 2.399 549 HD13 LEU 69 HD13 LEU 69 -3.173 0.438 1.057 550 HD21 LEU 69 HD21 LEU 69 -5.870 -0.149 -0.113 551 HD22 LEU 69 HD22 LEU 69 -4.618 -1.359 0.257 552 HD23 LEU 69 HD23 LEU 69 -6.265 -1.550 0.904 553 H ALA 70 H ALA 70 -6.015 1.763 4.096 554 HA ALA 70 HA ALA 70 -8.371 0.470 5.386 555 HB1 ALA 70 HB1 ALA 70 -8.898 2.689 6.352 556 HB2 ALA 70 HB2 ALA 70 -7.332 2.078 6.934 557 HB3 ALA 70 HB3 ALA 70 -7.386 3.337 5.676 558 H LEU 71 H LEU 71 -10.374 0.919 4.405 559 HA LEU 71 HA LEU 71 -10.134 2.302 1.771 560 HB2 LEU 71 HB2 LEU 71 -11.727 -0.155 2.601 561 HB3 LEU 71 HB3 LEU 71 -11.979 0.716 1.083 562 HG LEU 71 HG LEU 71 -10.590 -1.103 0.534 563 HD11 LEU 71 HD11 LEU 71 -9.876 1.117 -0.383 564 HD12 LEU 71 HD12 LEU 71 -8.684 1.234 0.932 565 HD13 LEU 71 HD13 LEU 71 -8.553 -0.066 -0.271 566 HD21 LEU 71 HD21 LEU 71 -9.896 -1.650 2.873 567 HD22 LEU 71 HD22 LEU 71 -8.567 -1.738 1.694 568 HD23 LEU 71 HD23 LEU 71 -8.690 -0.344 2.783 569 H ARG 72 H ARG 72 -12.449 2.787 0.910 570 HA ARG 72 HA ARG 72 -13.629 4.720 2.689 571 HB2 ARG 72 HB2 ARG 72 -15.176 5.068 0.780 572 HB3 ARG 72 HB3 ARG 72 -13.477 5.057 0.255 573 HG2 ARG 72 HG2 ARG 72 -13.690 2.697 -0.439 574 HG3 ARG 72 HG3 ARG 72 -15.379 2.672 0.117 575 HD2 ARG 72 HD2 ARG 72 -14.267 4.509 -2.040 576 HD3 ARG 72 HD3 ARG 72 -15.188 3.022 -2.341 577 HE ARG 72 HE ARG 72 -16.809 4.507 -0.656 578 HH11 ARG 72 HH11 ARG 72 -15.248 5.015 -3.789 579 HH12 ARG 72 HH12 ARG 72 -16.481 6.104 -4.380 580 HH21 ARG 72 HH21 ARG 72 -18.425 5.957 -1.425 581 HH22 ARG 72 HH22 ARG 72 -18.303 6.639 -3.031 582 H LEU 73 H LEU 73 -16.117 4.769 2.889 583 HA LEU 73 HA LEU 73 -16.981 2.361 4.266 584 HB2 LEU 73 HB2 LEU 73 -18.441 4.920 3.489 585 HB3 LEU 73 HB3 LEU 73 -19.083 3.664 4.569 586 HG LEU 73 HG LEU 73 -16.521 5.246 5.055 587 HD11 LEU 73 HD11 LEU 73 -17.833 6.355 6.832 588 HD12 LEU 73 HD12 LEU 73 -18.559 6.637 5.233 589 HD13 LEU 73 HD13 LEU 73 -19.279 5.443 6.338 590 HD21 LEU 73 HD21 LEU 73 -16.701 4.239 7.334 591 HD22 LEU 73 HD22 LEU 73 -18.080 3.266 6.773 592 HD23 LEU 73 HD23 LEU 73 -16.463 3.008 6.075 593 H ARG 74 H ARG 74 -19.224 1.436 3.711 594 HA ARG 74 HA ARG 74 -19.132 0.443 1.013 595 HB2 ARG 74 HB2 ARG 74 -19.971 -0.836 2.995 596 HB3 ARG 74 HB3 ARG 74 -21.372 0.258 3.072 597 HG2 ARG 74 HG2 ARG 74 -22.077 -0.417 0.830 598 HG3 ARG 74 HG3 ARG 74 -20.594 -1.373 0.619 599 HD2 ARG 74 HD2 ARG 74 -22.411 -2.874 1.178 600 HD3 ARG 74 HD3 ARG 74 -21.283 -2.808 2.546 601 HE ARG 74 HE ARG 74 -23.191 -0.854 3.081 602 HH11 ARG 74 HH11 ARG 74 -23.202 -4.334 2.443 603 HH12 ARG 74 HH12 ARG 74 -24.653 -4.632 3.373 604 HH21 ARG 74 HH21 ARG 74 -25.122 -1.243 4.266 605 HH22 ARG 74 HH22 ARG 74 -25.749 -2.871 4.409 606 H GLY 75 H GLY 75 -20.953 2.994 2.703 607 HA2 GLY 75 HA2 GLY 75 -21.831 4.877 1.553 608 HA3 GLY 75 HA3 GLY 75 -21.960 3.910 0.069 609 H GLY 76 H GLY 76 -22.984 1.961 2.595 610 HA2 GLY 76 HA2 GLY 76 -25.597 2.935 3.148 611 HA3 GLY 76 HA3 GLY 76 -25.662 1.811 1.771 Start of MODEL 11 1 H1 MET 1 H MET 1 11.663 -8.860 -0.356 2 HA MET 1 HA MET 1 12.372 -8.734 -3.227 3 HB2 MET 1 HB2 MET 1 12.732 -10.969 -2.146 4 HB3 MET 1 HB3 MET 1 10.995 -11.017 -1.770 5 HG2 MET 1 HG2 MET 1 10.482 -10.781 -4.183 6 HG3 MET 1 HG3 MET 1 12.212 -10.726 -4.544 7 HE1 MET 1 HE1 MET 1 11.194 -14.148 -6.065 8 HE2 MET 1 HE2 MET 1 10.310 -12.602 -6.072 9 HE3 MET 1 HE3 MET 1 12.072 -12.621 -6.317 10 H GLN 2 H GLN 2 9.600 -9.483 -1.027 11 HA GLN 2 HA GLN 2 7.890 -7.754 -2.756 12 HB2 GLN 2 HB2 GLN 2 7.372 -10.557 -1.690 13 HB3 GLN 2 HB3 GLN 2 6.069 -9.480 -2.236 14 HG2 GLN 2 HG2 GLN 2 7.054 -9.332 -4.462 15 HG3 GLN 2 HG3 GLN 2 8.450 -10.297 -3.943 16 HE21 GLN 2 HE21 GLN 2 5.203 -12.159 -5.386 17 HE22 GLN 2 HE22 GLN 2 5.559 -10.459 -5.585 18 H ILE 3 H ILE 3 5.740 -7.318 -1.508 19 HA ILE 3 HA ILE 3 6.219 -7.301 1.430 20 HB ILE 3 HB ILE 3 5.231 -5.087 1.598 21 HG12 ILE 3 HG12 ILE 3 5.101 -5.142 -1.446 22 HG13 ILE 3 HG13 ILE 3 3.709 -5.291 -0.355 23 HG21 ILE 3 HG21 ILE 3 7.037 -3.786 0.558 24 HG22 ILE 3 HG22 ILE 3 7.682 -5.301 1.224 25 HG23 ILE 3 HG23 ILE 3 7.417 -5.142 -0.527 26 HD11 ILE 3 HD11 ILE 3 5.579 -2.895 -0.566 27 HD12 ILE 3 HD12 ILE 3 3.894 -2.979 -1.124 28 HD13 ILE 3 HD13 ILE 3 4.258 -3.059 0.616 29 H PHE 4 H PHE 4 3.962 -6.725 2.532 30 HA PHE 4 HA PHE 4 1.822 -8.157 1.039 31 HB2 PHE 4 HB2 PHE 4 2.750 -8.604 3.895 32 HB3 PHE 4 HB3 PHE 4 1.234 -9.228 3.233 33 HD1 PHE 4 HD1 PHE 4 1.202 -11.012 1.573 34 HD2 PHE 4 HD2 PHE 4 4.896 -9.571 3.230 35 HE1 PHE 4 HE1 PHE 4 2.371 -13.022 0.714 36 HE2 PHE 4 HE2 PHE 4 6.066 -11.581 2.364 37 HZ PHE 4 HZ PHE 4 4.800 -13.306 1.107 38 H VAL 5 H VAL 5 0.250 -6.723 0.735 39 HA VAL 5 HA VAL 5 -0.219 -4.606 2.748 40 HB VAL 5 HB VAL 5 -1.254 -5.097 -0.077 41 HG11 VAL 5 HG11 VAL 5 -2.235 -2.816 0.142 42 HG12 VAL 5 HG12 VAL 5 -2.973 -3.975 1.271 43 HG13 VAL 5 HG13 VAL 5 -1.772 -2.803 1.859 44 HG21 VAL 5 HG21 VAL 5 0.094 -3.082 -0.591 45 HG22 VAL 5 HG22 VAL 5 0.635 -3.014 1.103 46 HG23 VAL 5 HG23 VAL 5 1.110 -4.383 0.070 47 H LYS 6 H LYS 6 -1.776 -4.870 4.255 48 HA LYS 6 HA LYS 6 -3.786 -7.001 3.769 49 HB2 LYS 6 HB2 LYS 6 -2.260 -7.165 5.763 50 HB3 LYS 6 HB3 LYS 6 -2.983 -5.664 6.386 51 HG2 LYS 6 HG2 LYS 6 -5.195 -6.720 6.437 52 HG3 LYS 6 HG3 LYS 6 -4.535 -8.189 5.678 53 HD2 LYS 6 HD2 LYS 6 -3.051 -8.531 7.628 54 HD3 LYS 6 HD3 LYS 6 -3.733 -7.078 8.398 55 HE2 LYS 6 HE2 LYS 6 -5.979 -8.105 8.359 56 HE3 LYS 6 HE3 LYS 6 -5.316 -9.544 7.557 57 HZ1 LYS 6 HZ1 LYS 6 -3.949 -9.905 9.480 58 HZ2 LYS 6 HZ2 LYS 6 -4.578 -8.576 10.231 59 HZ3 LYS 6 HZ3 LYS 6 -5.542 -9.872 9.902 60 H THR 7 H THR 7 -5.655 -6.225 2.964 61 HA THR 7 HA THR 7 -6.430 -3.458 3.240 62 HB THR 7 HB THR 7 -8.442 -4.186 2.041 63 HG1 THR 7 HG1 THR 7 -8.778 -6.374 1.697 64 HG21 THR 7 HG21 THR 7 -7.374 -5.158 0.048 65 HG22 THR 7 HG22 THR 7 -6.328 -3.905 0.755 66 HG23 THR 7 HG23 THR 7 -5.956 -5.625 1.014 67 H ALA 8 H ALA 8 -8.863 -3.075 3.941 68 HA ALA 8 HA ALA 8 -9.091 -3.963 6.725 69 HB1 ALA 8 HB1 ALA 8 -11.024 -2.425 6.749 70 HB2 ALA 8 HB2 ALA 8 -9.579 -1.625 6.087 71 HB3 ALA 8 HB3 ALA 8 -10.864 -2.191 4.993 72 H THR 9 H THR 9 -9.889 -5.258 3.713 73 HA THR 9 HA THR 9 -12.469 -6.386 4.603 74 HB THR 9 HB THR 9 -12.610 -7.173 2.253 75 HG1 THR 9 HG1 THR 9 -10.987 -6.397 0.827 76 HG21 THR 9 HG21 THR 9 -11.858 -4.238 2.587 77 HG22 THR 9 HG22 THR 9 -12.795 -4.918 1.238 78 HG23 THR 9 HG23 THR 9 -13.464 -4.944 2.886 79 H GLY 10 H GLY 10 -9.252 -7.146 5.004 80 HA2 GLY 10 HA2 GLY 10 -8.526 -9.110 6.058 81 HA3 GLY 10 HA3 GLY 10 -9.955 -9.968 5.452 82 H LYS 11 H LYS 11 -8.870 -8.298 2.799 83 HA LYS 11 HA LYS 11 -7.688 -10.670 1.618 84 HB2 LYS 11 HB2 LYS 11 -8.014 -7.801 0.658 85 HB3 LYS 11 HB3 LYS 11 -7.250 -9.079 -0.301 86 HG2 LYS 11 HG2 LYS 11 -9.359 -10.437 -0.064 87 HG3 LYS 11 HG3 LYS 11 -10.129 -9.008 0.677 88 HD2 LYS 11 HD2 LYS 11 -9.627 -7.678 -1.333 89 HD3 LYS 11 HD3 LYS 11 -8.756 -9.051 -2.049 90 HE2 LYS 11 HE2 LYS 11 -10.869 -10.382 -1.982 91 HE3 LYS 11 HE3 LYS 11 -11.721 -8.945 -1.379 92 HZ1 LYS 11 HZ1 LYS 11 -10.305 -9.161 -3.945 93 HZ2 LYS 11 HZ2 LYS 11 -11.940 -9.162 -3.740 94 HZ3 LYS 11 HZ3 LYS 11 -11.064 -7.809 -3.390 95 H THR 12 H THR 12 -5.672 -11.308 2.187 96 HA THR 12 HA THR 12 -3.557 -9.336 2.706 97 HB THR 12 HB THR 12 -3.325 -12.329 2.199 98 HG1 THR 12 HG1 THR 12 -3.407 -12.450 4.497 99 HG21 THR 12 HG21 THR 12 -1.596 -10.328 3.718 100 HG22 THR 12 HG22 THR 12 -1.266 -12.068 3.550 101 HG23 THR 12 HG23 THR 12 -1.226 -11.014 2.118 102 H ILE 13 H ILE 13 -2.219 -8.514 1.102 103 HA ILE 13 HA ILE 13 -2.505 -9.760 -1.587 104 HB ILE 13 HB ILE 13 -2.408 -6.784 -0.990 105 HG12 ILE 13 HG12 ILE 13 -4.751 -8.554 -1.813 106 HG13 ILE 13 HG13 ILE 13 -4.520 -7.828 -0.208 107 HG21 ILE 13 HG21 ILE 13 -2.949 -6.578 -3.384 108 HG22 ILE 13 HG22 ILE 13 -1.451 -7.508 -3.173 109 HG23 ILE 13 HG23 ILE 13 -2.973 -8.351 -3.546 110 HD11 ILE 13 HD11 ILE 13 -6.061 -6.454 -1.520 111 HD12 ILE 13 HD12 ILE 13 -4.545 -5.564 -1.245 112 HD13 ILE 13 HD13 ILE 13 -4.868 -6.313 -2.828 113 H THR 14 H THR 14 -0.583 -10.644 -2.041 114 HA THR 14 HA THR 14 1.930 -9.596 -1.085 115 HB THR 14 HB THR 14 1.365 -11.452 -3.434 116 HG1 THR 14 HG1 THR 14 1.654 -13.079 -1.840 117 HG21 THR 14 HG21 THR 14 3.676 -10.575 -3.289 118 HG22 THR 14 HG22 THR 14 3.774 -11.109 -1.594 119 HG23 THR 14 HG23 THR 14 3.627 -12.310 -2.900 120 H LEU 15 H LEU 15 2.914 -7.774 -1.852 121 HA LEU 15 HA LEU 15 2.201 -6.945 -4.623 122 HB2 LEU 15 HB2 LEU 15 1.259 -5.631 -2.566 123 HB3 LEU 15 HB3 LEU 15 2.913 -5.007 -2.419 124 HG LEU 15 HG LEU 15 2.761 -4.301 -4.854 125 HD11 LEU 15 HD11 LEU 15 -0.169 -5.028 -4.403 126 HD12 LEU 15 HD12 LEU 15 0.462 -4.130 -5.803 127 HD13 LEU 15 HD13 LEU 15 0.940 -5.821 -5.546 128 HD21 LEU 15 HD21 LEU 15 0.675 -3.169 -2.942 129 HD22 LEU 15 HD22 LEU 15 2.397 -2.720 -2.991 130 HD23 LEU 15 HD23 LEU 15 1.338 -2.337 -4.368 131 H GLU 16 H GLU 16 3.818 -5.906 -5.854 132 HA GLU 16 HA GLU 16 6.541 -5.844 -4.701 133 HB2 GLU 16 HB2 GLU 16 6.274 -7.996 -5.920 134 HB3 GLU 16 HB3 GLU 16 5.848 -7.087 -7.390 135 HG2 GLU 16 HG2 GLU 16 8.027 -5.951 -7.342 136 HG3 GLU 16 HG3 GLU 16 8.438 -6.760 -5.817 137 H VAL 17 H VAL 17 7.109 -3.736 -4.861 138 HA VAL 17 HA VAL 17 6.220 -2.301 -7.333 139 HB VAL 17 HB VAL 17 6.110 -0.261 -5.945 140 HG11 VAL 17 HG11 VAL 17 4.091 -0.866 -4.669 141 HG12 VAL 17 HG12 VAL 17 4.087 -1.637 -6.270 142 HG13 VAL 17 HG13 VAL 17 4.496 -2.590 -4.825 143 HG21 VAL 17 HG21 VAL 17 7.777 -0.925 -4.235 144 HG22 VAL 17 HG22 VAL 17 6.238 -0.432 -3.493 145 HG23 VAL 17 HG23 VAL 17 6.649 -2.157 -3.622 146 H GLU 18 H GLU 18 7.597 -0.452 -7.958 147 HA GLU 18 HA GLU 18 10.412 -1.159 -7.838 148 HB2 GLU 18 HB2 GLU 18 8.820 1.092 -9.113 149 HB3 GLU 18 HB3 GLU 18 10.590 0.983 -9.217 150 HG2 GLU 18 HG2 GLU 18 9.543 -0.017 -11.205 151 HG3 GLU 18 HG3 GLU 18 10.412 -1.241 -10.260 152 HA PRO 19 HA PRO 19 11.406 1.040 -4.260 153 HB2 PRO 19 HB2 PRO 19 13.975 1.822 -5.588 154 HB3 PRO 19 HB3 PRO 19 13.720 0.957 -4.040 155 HG2 PRO 19 HG2 PRO 19 14.516 -0.347 -6.309 156 HG3 PRO 19 HG3 PRO 19 13.393 -1.100 -5.128 157 HD2 PRO 19 HD2 PRO 19 12.772 0.150 -7.790 158 HD3 PRO 19 HD3 PRO 19 12.019 -1.259 -6.982 159 H SER 20 H SER 20 12.419 2.861 -7.227 160 HA SER 20 HA SER 20 12.251 5.364 -5.713 161 HB2 SER 20 HB2 SER 20 13.031 4.819 -8.603 162 HB3 SER 20 HB3 SER 20 13.291 6.331 -7.702 163 HG SER 20 HG SER 20 15.151 5.041 -7.673 164 H ASP 21 H ASP 21 9.828 3.620 -6.869 165 HA ASP 21 HA ASP 21 8.645 5.632 -8.677 166 HB2 ASP 21 HB2 ASP 21 7.975 2.817 -7.844 167 HB3 ASP 21 HB3 ASP 21 6.716 3.865 -8.528 168 H THR 22 H THR 22 8.995 5.350 -5.406 169 HA THR 22 HA THR 22 8.092 6.588 -3.732 170 HB THR 22 HB THR 22 6.027 7.574 -5.737 171 HG1 THR 22 HG1 THR 22 8.160 7.885 -6.476 172 HG21 THR 22 HG21 THR 22 6.082 9.590 -4.275 173 HG22 THR 22 HG22 THR 22 5.509 8.146 -3.414 174 HG23 THR 22 HG23 THR 22 7.174 8.729 -3.163 175 H ILE 23 H ILE 23 6.206 6.666 -2.276 176 HA ILE 23 HA ILE 23 4.991 4.177 -1.863 177 HB ILE 23 HB ILE 23 4.228 6.994 -1.013 178 HG12 ILE 23 HG12 ILE 23 6.439 6.049 -0.255 179 HG13 ILE 23 HG13 ILE 23 5.321 6.440 1.065 180 HG21 ILE 23 HG21 ILE 23 3.139 4.324 -0.032 181 HG22 ILE 23 HG22 ILE 23 2.861 5.895 0.758 182 HG23 ILE 23 HG23 ILE 23 2.229 5.599 -0.876 183 HD11 ILE 23 HD11 ILE 23 6.454 4.242 1.384 184 HD12 ILE 23 HD12 ILE 23 4.686 4.094 1.296 185 HD13 ILE 23 HD13 ILE 23 5.686 3.653 -0.108 186 H GLU 24 H GLU 24 3.994 6.858 -3.959 187 HA GLU 24 HA GLU 24 1.266 6.231 -4.191 188 HB2 GLU 24 HB2 GLU 24 2.335 8.267 -5.093 189 HB3 GLU 24 HB3 GLU 24 3.156 7.286 -6.331 190 HG2 GLU 24 HG2 GLU 24 1.015 6.598 -7.273 191 HG3 GLU 24 HG3 GLU 24 0.135 7.390 -5.951 192 H ASN 25 H ASN 25 4.126 4.637 -5.557 193 HA ASN 25 HA ASN 25 2.774 3.192 -7.598 194 HB2 ASN 25 HB2 ASN 25 5.265 3.549 -7.288 195 HB3 ASN 25 HB3 ASN 25 5.219 2.307 -6.025 196 HD21 ASN 25 HD21 ASN 25 6.196 0.406 -8.991 197 HD22 ASN 25 HD22 ASN 25 6.865 1.464 -7.767 198 H VAL 26 H VAL 26 3.154 2.670 -4.100 199 HA VAL 26 HA VAL 26 2.341 -0.069 -4.088 200 HB VAL 26 HB VAL 26 2.039 2.098 -1.965 201 HG11 VAL 26 HG11 VAL 26 0.625 0.115 -1.534 202 HG12 VAL 26 HG12 VAL 26 2.038 -0.943 -1.758 203 HG13 VAL 26 HG13 VAL 26 1.983 0.192 -0.389 204 HG21 VAL 26 HG21 VAL 26 4.234 0.039 -2.454 205 HG22 VAL 26 HG22 VAL 26 4.375 1.793 -2.722 206 HG23 VAL 26 HG23 VAL 26 4.150 1.161 -1.076 207 H LYS 27 H LYS 27 0.610 3.032 -4.179 208 HA LYS 27 HA LYS 27 -1.999 1.764 -3.820 209 HB2 LYS 27 HB2 LYS 27 -1.190 4.561 -4.725 210 HB3 LYS 27 HB3 LYS 27 -2.844 4.040 -4.330 211 HG2 LYS 27 HG2 LYS 27 -2.077 3.435 -2.035 212 HG3 LYS 27 HG3 LYS 27 -0.459 4.059 -2.430 213 HD2 LYS 27 HD2 LYS 27 -3.034 5.692 -2.540 214 HD3 LYS 27 HD3 LYS 27 -1.870 5.716 -1.196 215 HE2 LYS 27 HE2 LYS 27 -0.091 6.453 -2.765 216 HE3 LYS 27 HE3 LYS 27 -1.279 6.481 -4.085 217 HZ1 LYS 27 HZ1 LYS 27 -1.407 8.097 -1.634 218 HZ2 LYS 27 HZ2 LYS 27 -0.945 8.640 -3.120 219 HZ3 LYS 27 HZ3 LYS 27 -2.496 8.136 -2.873 220 H ALA 28 H ALA 28 0.152 2.669 -6.482 221 HA ALA 28 HA ALA 28 -1.893 2.721 -8.489 222 HB1 ALA 28 HB1 ALA 28 0.277 3.899 -8.679 223 HB2 ALA 28 HB2 ALA 28 1.117 2.331 -8.735 224 HB3 ALA 28 HB3 ALA 28 0.007 2.793 -10.046 225 H LYS 29 H LYS 29 0.313 0.157 -7.257 226 HA LYS 29 HA LYS 29 -0.396 -1.645 -9.413 227 HB2 LYS 29 HB2 LYS 29 0.916 -2.143 -6.714 228 HB3 LYS 29 HB3 LYS 29 0.829 -3.318 -8.045 229 HG2 LYS 29 HG2 LYS 29 2.148 -0.577 -8.246 230 HG3 LYS 29 HG3 LYS 29 3.014 -2.093 -7.926 231 HD2 LYS 29 HD2 LYS 29 2.205 -3.014 -10.078 232 HD3 LYS 29 HD3 LYS 29 1.365 -1.480 -10.412 233 HE2 LYS 29 HE2 LYS 29 3.526 -0.273 -10.272 234 HE3 LYS 29 HE3 LYS 29 4.362 -1.807 -9.958 235 HZ1 LYS 29 HZ1 LYS 29 4.493 -1.178 -12.249 236 HZ2 LYS 29 HZ2 LYS 29 3.624 -2.572 -12.096 237 HZ3 LYS 29 HZ3 LYS 29 2.852 -1.142 -12.387 238 H ILE 30 H ILE 30 -1.842 -0.728 -6.372 239 HA ILE 30 HA ILE 30 -3.408 -3.196 -6.158 240 HB ILE 30 HB ILE 30 -3.468 -0.537 -4.671 241 HG12 ILE 30 HG12 ILE 30 -2.551 -3.314 -3.803 242 HG13 ILE 30 HG13 ILE 30 -1.456 -2.050 -4.397 243 HG21 ILE 30 HG21 ILE 30 -4.973 -3.139 -4.138 244 HG22 ILE 30 HG22 ILE 30 -4.943 -1.725 -3.060 245 HG23 ILE 30 HG23 ILE 30 -5.699 -1.599 -4.658 246 HD11 ILE 30 HD11 ILE 30 -3.289 -1.785 -1.975 247 HD12 ILE 30 HD12 ILE 30 -1.535 -2.080 -1.923 248 HD13 ILE 30 HD13 ILE 30 -2.163 -0.548 -2.574 249 H GLN 31 H GLN 31 -3.616 -0.050 -7.703 250 HA GLN 31 HA GLN 31 -6.433 0.123 -7.974 251 HB2 GLN 31 HB2 GLN 31 -4.841 1.957 -8.473 252 HB3 GLN 31 HB3 GLN 31 -4.221 1.033 -9.859 253 HG2 GLN 31 HG2 GLN 31 -6.513 1.050 -10.852 254 HG3 GLN 31 HG3 GLN 31 -7.068 2.057 -9.498 255 HE21 GLN 31 HE21 GLN 31 -4.496 3.648 -12.361 256 HE22 GLN 31 HE22 GLN 31 -4.553 1.921 -12.087 257 H ASP 32 H ASP 32 -3.932 -1.698 -9.732 258 HA ASP 32 HA ASP 32 -5.735 -2.537 -11.859 259 HB2 ASP 32 HB2 ASP 32 -3.321 -2.211 -12.229 260 HB3 ASP 32 HB3 ASP 32 -2.957 -3.461 -11.025 261 H LYS 33 H LYS 33 -4.682 -3.753 -8.698 262 HA LYS 33 HA LYS 33 -5.598 -6.453 -9.358 263 HB2 LYS 33 HB2 LYS 33 -3.487 -5.950 -8.085 264 HB3 LYS 33 HB3 LYS 33 -4.492 -5.353 -6.747 265 HG2 LYS 33 HG2 LYS 33 -3.866 -7.669 -6.319 266 HG3 LYS 33 HG3 LYS 33 -5.612 -7.600 -6.648 267 HD2 LYS 33 HD2 LYS 33 -5.254 -8.362 -8.941 268 HD3 LYS 33 HD3 LYS 33 -3.490 -8.267 -8.736 269 HE2 LYS 33 HE2 LYS 33 -3.601 -9.991 -6.968 270 HE3 LYS 33 HE3 LYS 33 -5.363 -10.086 -7.165 271 HZ1 LYS 33 HZ1 LYS 33 -4.223 -11.805 -8.370 272 HZ2 LYS 33 HZ2 LYS 33 -5.014 -10.802 -9.411 273 HZ3 LYS 33 HZ3 LYS 33 -3.378 -10.690 -9.246 274 H GLU 34 H GLU 34 -6.336 -4.029 -6.759 275 HA GLU 34 HA GLU 34 -8.729 -5.575 -6.057 276 HB2 GLU 34 HB2 GLU 34 -7.095 -4.431 -4.436 277 HB3 GLU 34 HB3 GLU 34 -7.822 -2.896 -4.953 278 HG2 GLU 34 HG2 GLU 34 -8.891 -3.742 -2.895 279 HG3 GLU 34 HG3 GLU 34 -10.046 -3.714 -4.239 280 H GLY 35 H GLY 35 -7.836 -2.961 -8.140 281 HA2 GLY 35 HA2 GLY 35 -9.169 -1.959 -9.742 282 HA3 GLY 35 HA3 GLY 35 -10.596 -2.715 -9.018 283 H ILE 36 H ILE 36 -9.150 -1.386 -6.397 284 HA ILE 36 HA ILE 36 -11.052 0.784 -6.294 285 HB ILE 36 HB ILE 36 -8.770 0.024 -4.429 286 HG12 ILE 36 HG12 ILE 36 -11.742 -0.661 -4.353 287 HG13 ILE 36 HG13 ILE 36 -10.456 -1.774 -4.856 288 HG21 ILE 36 HG21 ILE 36 -10.197 1.286 -2.762 289 HG22 ILE 36 HG22 ILE 36 -9.503 2.314 -4.036 290 HG23 ILE 36 HG23 ILE 36 -11.212 1.824 -4.116 291 HD11 ILE 36 HD11 ILE 36 -10.755 -0.497 -2.108 292 HD12 ILE 36 HD12 ILE 36 -11.019 -2.202 -2.522 293 HD13 ILE 36 HD13 ILE 36 -9.383 -1.512 -2.615 294 HA PRO 37 HA PRO 37 -8.341 3.722 -8.289 295 HB2 PRO 37 HB2 PRO 37 -10.371 5.655 -7.264 296 HB3 PRO 37 HB3 PRO 37 -9.784 5.415 -8.941 297 HG2 PRO 37 HG2 PRO 37 -12.262 4.561 -8.115 298 HG3 PRO 37 HG3 PRO 37 -11.290 3.668 -9.330 299 HD2 PRO 37 HD2 PRO 37 -11.696 3.055 -6.415 300 HD3 PRO 37 HD3 PRO 37 -11.521 1.938 -7.804 301 HA PRO 38 HA PRO 38 -6.053 5.624 -5.054 302 HB2 PRO 38 HB2 PRO 38 -6.236 8.279 -6.406 303 HB3 PRO 38 HB3 PRO 38 -4.779 7.326 -5.978 304 HG2 PRO 38 HG2 PRO 38 -5.691 7.537 -8.562 305 HG3 PRO 38 HG3 PRO 38 -4.916 6.045 -7.935 306 HD2 PRO 38 HD2 PRO 38 -7.833 6.617 -8.381 307 HD3 PRO 38 HD3 PRO 38 -6.927 5.086 -8.584 308 H ASP 39 H ASP 39 -6.042 7.403 -3.409 309 HA ASP 39 HA ASP 39 -6.952 8.821 -1.912 310 HB2 ASP 39 HB2 ASP 39 -7.699 10.081 -3.952 311 HB3 ASP 39 HB3 ASP 39 -9.257 9.235 -3.842 312 H GLN 40 H GLN 40 -9.401 6.651 -3.420 313 HA GLN 40 HA GLN 40 -11.078 6.576 -1.106 314 HB2 GLN 40 HB2 GLN 40 -10.679 4.675 -3.449 315 HB3 GLN 40 HB3 GLN 40 -11.927 4.451 -2.197 316 HG2 GLN 40 HG2 GLN 40 -12.848 6.688 -2.695 317 HG3 GLN 40 HG3 GLN 40 -11.602 6.932 -3.935 318 HE21 GLN 40 HE21 GLN 40 -13.350 5.247 -6.462 319 HE22 GLN 40 HE22 GLN 40 -11.994 6.246 -5.989 320 H GLN 41 H GLN 41 -7.962 5.274 -1.791 321 HA GLN 41 HA GLN 41 -8.185 3.519 0.596 322 HB2 GLN 41 HB2 GLN 41 -6.425 2.139 -0.366 323 HB3 GLN 41 HB3 GLN 41 -7.761 2.284 -1.527 324 HG2 GLN 41 HG2 GLN 41 -6.517 4.124 -2.674 325 HG3 GLN 41 HG3 GLN 41 -5.166 3.884 -1.548 326 HE21 GLN 41 HE21 GLN 41 -5.629 1.496 -4.820 327 HE22 GLN 41 HE22 GLN 41 -6.693 2.838 -4.469 328 H ARG 42 H ARG 42 -6.288 3.493 2.001 329 HA ARG 42 HA ARG 42 -4.349 5.694 1.590 330 HB2 ARG 42 HB2 ARG 42 -6.271 5.387 3.919 331 HB3 ARG 42 HB3 ARG 42 -4.741 6.290 4.061 332 HG2 ARG 42 HG2 ARG 42 -5.391 7.749 2.197 333 HG3 ARG 42 HG3 ARG 42 -6.906 6.843 1.987 334 HD2 ARG 42 HD2 ARG 42 -6.112 8.316 4.526 335 HD3 ARG 42 HD3 ARG 42 -7.192 8.965 3.272 336 HE ARG 42 HE ARG 42 -7.932 6.360 4.441 337 HH11 ARG 42 HH11 ARG 42 -8.421 9.866 4.276 338 HH12 ARG 42 HH12 ARG 42 -9.997 9.810 5.031 339 HH21 ARG 42 HH21 ARG 42 -10.017 6.302 5.440 340 HH22 ARG 42 HH22 ARG 42 -10.898 7.793 5.700 341 H LEU 43 H LEU 43 -2.347 5.235 2.417 342 HA LEU 43 HA LEU 43 -1.985 2.432 3.261 343 HB2 LEU 43 HB2 LEU 43 -0.250 4.609 2.063 344 HB3 LEU 43 HB3 LEU 43 0.475 3.154 2.775 345 HG LEU 43 HG LEU 43 -1.668 3.073 0.617 346 HD11 LEU 43 HD11 LEU 43 0.190 2.532 -0.917 347 HD12 LEU 43 HD12 LEU 43 0.403 4.150 -0.209 348 HD13 LEU 43 HD13 LEU 43 1.359 2.779 0.403 349 HD21 LEU 43 HD21 LEU 43 -0.868 0.731 0.379 350 HD22 LEU 43 HD22 LEU 43 0.259 0.987 1.733 351 HD23 LEU 43 HD23 LEU 43 -1.499 1.040 2.012 352 H ALA 44 H ALA 44 -0.487 1.853 4.925 353 HA ALA 44 HA ALA 44 0.609 3.832 6.725 354 HB1 ALA 44 HB1 ALA 44 -0.639 3.036 8.717 355 HB2 ALA 44 HB2 ALA 44 -1.720 3.808 7.534 356 HB3 ALA 44 HB3 ALA 44 -1.665 2.034 7.663 357 H PHE 45 H PHE 45 1.734 2.646 8.592 358 HA PHE 45 HA PHE 45 2.270 -0.202 8.044 359 HB2 PHE 45 HB2 PHE 45 3.915 1.202 6.756 360 HB3 PHE 45 HB3 PHE 45 4.495 1.847 8.296 361 HD1 PHE 45 HD1 PHE 45 5.211 0.021 10.080 362 HD2 PHE 45 HD2 PHE 45 4.930 -0.691 5.852 363 HE1 PHE 45 HE1 PHE 45 6.711 -1.936 10.309 364 HE2 PHE 45 HE2 PHE 45 6.435 -2.646 6.081 365 HZ PHE 45 HZ PHE 45 7.331 -3.267 8.310 366 H ALA 46 H ALA 46 1.877 -1.174 9.950 367 HA ALA 46 HA ALA 46 1.721 -1.537 12.189 368 HB1 ALA 46 HB1 ALA 46 4.173 -1.592 11.985 369 HB2 ALA 46 HB2 ALA 46 4.240 0.166 12.256 370 HB3 ALA 46 HB3 ALA 46 3.672 -0.912 13.552 371 H GLY 47 H GLY 47 0.611 1.045 10.889 372 HA2 GLY 47 HA2 GLY 47 -1.077 2.327 11.980 373 HA3 GLY 47 HA3 GLY 47 -0.117 2.304 13.473 374 H LYS 48 H LYS 48 2.290 2.835 11.406 375 HA LYS 48 HA LYS 48 2.226 5.721 11.793 376 HB2 LYS 48 HB2 LYS 48 4.196 3.944 10.296 377 HB3 LYS 48 HB3 LYS 48 4.440 5.653 10.723 378 HG2 LYS 48 HG2 LYS 48 4.164 5.035 13.142 379 HG3 LYS 48 HG3 LYS 48 4.089 3.324 12.662 380 HD2 LYS 48 HD2 LYS 48 6.336 3.482 11.670 381 HD3 LYS 48 HD3 LYS 48 6.400 5.219 12.052 382 HE2 LYS 48 HE2 LYS 48 6.172 4.680 14.469 383 HE3 LYS 48 HE3 LYS 48 6.171 2.949 14.071 384 HZ1 LYS 48 HZ1 LYS 48 8.333 3.707 14.720 385 HZ2 LYS 48 HZ2 LYS 48 8.354 3.228 13.143 386 HZ3 LYS 48 HZ3 LYS 48 8.355 4.835 13.517 387 H GLN 49 H GLN 49 1.937 7.296 10.239 388 HA GLN 49 HA GLN 49 0.430 6.498 7.885 389 HB2 GLN 49 HB2 GLN 49 0.291 8.963 7.536 390 HB3 GLN 49 HB3 GLN 49 -0.209 8.469 9.168 391 HG2 GLN 49 HG2 GLN 49 2.114 9.012 9.979 392 HG3 GLN 49 HG3 GLN 49 2.481 9.651 8.365 393 HE21 GLN 49 HE21 GLN 49 -0.376 11.634 10.661 394 HE22 GLN 49 HE22 GLN 49 -0.270 9.890 10.710 395 H LEU 50 H LEU 50 1.068 6.612 5.742 396 HA LEU 50 HA LEU 50 3.975 7.094 5.288 397 HB2 LEU 50 HB2 LEU 50 1.982 5.447 3.679 398 HB3 LEU 50 HB3 LEU 50 3.708 5.649 3.307 399 HG LEU 50 HG LEU 50 2.581 4.404 5.855 400 HD11 LEU 50 HD11 LEU 50 3.992 3.153 3.460 401 HD12 LEU 50 HD12 LEU 50 3.441 2.297 4.921 402 HD13 LEU 50 HD13 LEU 50 2.254 3.023 3.816 403 HD21 LEU 50 HD21 LEU 50 4.755 5.523 6.215 404 HD22 LEU 50 HD22 LEU 50 4.943 3.758 6.264 405 HD23 LEU 50 HD23 LEU 50 5.437 4.664 4.813 406 H GLU 51 H GLU 51 4.542 8.229 3.275 407 HA GLU 51 HA GLU 51 2.315 9.746 2.068 408 HB2 GLU 51 HB2 GLU 51 3.176 10.990 4.074 409 HB3 GLU 51 HB3 GLU 51 4.765 11.082 3.280 410 HG2 GLU 51 HG2 GLU 51 3.818 12.348 1.432 411 HG3 GLU 51 HG3 GLU 51 2.173 12.104 2.058 412 H ASP 52 H ASP 52 2.963 10.871 0.094 413 HA ASP 52 HA ASP 52 4.954 9.319 -1.398 414 HB2 ASP 52 HB2 ASP 52 4.043 10.596 -3.323 415 HB3 ASP 52 HB3 ASP 52 2.769 9.772 -2.401 416 H GLY 53 H GLY 53 6.483 10.488 -2.856 417 HA2 GLY 53 HA2 GLY 53 7.708 12.471 -3.390 418 HA3 GLY 53 HA3 GLY 53 7.363 13.107 -1.770 419 H ARG 54 H ARG 54 8.050 9.849 -1.372 420 HA ARG 54 HA ARG 54 10.974 10.299 -1.219 421 HB2 ARG 54 HB2 ARG 54 9.951 10.882 0.978 422 HB3 ARG 54 HB3 ARG 54 9.243 9.256 1.062 423 HG2 ARG 54 HG2 ARG 54 11.478 8.250 1.065 424 HG3 ARG 54 HG3 ARG 54 12.221 9.852 0.830 425 HD2 ARG 54 HD2 ARG 54 11.268 10.601 2.986 426 HD3 ARG 54 HD3 ARG 54 10.535 9.002 3.221 427 HE ARG 54 HE ARG 54 13.153 8.360 2.882 428 HH11 ARG 54 HH11 ARG 54 11.569 10.830 4.863 429 HH12 ARG 54 HH12 ARG 54 12.772 10.770 6.130 430 HH21 ARG 54 HH21 ARG 54 14.737 8.300 4.535 431 HH22 ARG 54 HH22 ARG 54 14.578 9.315 5.952 432 H THR 55 H THR 55 12.218 8.340 -1.128 433 HA THR 55 HA THR 55 11.238 6.159 -2.682 434 HB THR 55 HB THR 55 13.589 6.380 -0.744 435 HG1 THR 55 HG1 THR 55 14.695 6.821 -2.724 436 HG21 THR 55 HG21 THR 55 14.571 4.566 -2.112 437 HG22 THR 55 HG22 THR 55 13.071 4.044 -1.315 438 HG23 THR 55 HG23 THR 55 13.062 4.460 -3.048 439 H LEU 56 H LEU 56 9.872 4.570 -2.076 440 HA LEU 56 HA LEU 56 8.723 4.583 0.487 441 HB2 LEU 56 HB2 LEU 56 7.510 2.583 -0.292 442 HB3 LEU 56 HB3 LEU 56 7.565 3.861 -1.518 443 HG LEU 56 HG LEU 56 9.760 2.503 -2.281 444 HD11 LEU 56 HD11 LEU 56 9.501 0.796 -0.465 445 HD12 LEU 56 HD12 LEU 56 7.891 0.397 -1.101 446 HD13 LEU 56 HD13 LEU 56 9.339 0.078 -2.082 447 HD21 LEU 56 HD21 LEU 56 6.871 1.760 -2.899 448 HD22 LEU 56 HD22 LEU 56 7.819 3.043 -3.686 449 HD23 LEU 56 HD23 LEU 56 8.278 1.339 -3.904 450 H SER 57 H SER 57 11.421 2.583 -0.783 451 HA SER 57 HA SER 57 11.325 0.838 1.539 452 HB2 SER 57 HB2 SER 57 13.466 1.241 -0.588 453 HB3 SER 57 HB3 SER 57 13.419 -0.078 0.605 454 HG SER 57 HG SER 57 12.470 -0.770 -1.311 455 H ASP 58 H ASP 58 12.554 3.990 0.896 456 HA ASP 58 HA ASP 58 14.564 3.830 3.055 457 HB2 ASP 58 HB2 ASP 58 15.021 5.106 0.961 458 HB3 ASP 58 HB3 ASP 58 13.638 6.158 1.322 459 H TYR 59 H TYR 59 11.224 4.406 2.549 460 HA TYR 59 HA TYR 59 10.880 6.310 4.713 461 HB2 TYR 59 HB2 TYR 59 9.491 5.767 2.478 462 HB3 TYR 59 HB3 TYR 59 8.594 4.735 3.594 463 HD1 TYR 59 HD1 TYR 59 8.037 7.516 2.002 464 HD2 TYR 59 HD2 TYR 59 8.736 6.401 6.095 465 HE1 TYR 59 HE1 TYR 59 6.799 9.527 2.755 466 HE2 TYR 59 HE2 TYR 59 7.483 8.397 6.859 467 HH TYR 59 HH TYR 59 6.309 10.279 6.226 468 H ASN 60 H ASN 60 9.368 3.052 4.218 469 HA ASN 60 HA ASN 60 10.113 2.269 6.948 470 HB2 ASN 60 HB2 ASN 60 7.325 3.084 6.128 471 HB3 ASN 60 HB3 ASN 60 7.559 1.794 7.326 472 HD21 ASN 60 HD21 ASN 60 7.742 5.604 8.528 473 HD22 ASN 60 HD22 ASN 60 7.046 5.062 7.018 474 H ILE 61 H ILE 61 8.824 1.589 3.735 475 HA ILE 61 HA ILE 61 7.810 -0.996 4.112 476 HB ILE 61 HB ILE 61 9.150 0.414 1.794 477 HG12 ILE 61 HG12 ILE 61 6.843 -0.171 0.816 478 HG13 ILE 61 HG13 ILE 61 6.374 -0.660 2.457 479 HG21 ILE 61 HG21 ILE 61 8.600 -1.577 0.399 480 HG22 ILE 61 HG22 ILE 61 9.871 -1.920 1.592 481 HG23 ILE 61 HG23 ILE 61 8.205 -2.481 1.879 482 HD11 ILE 61 HD11 ILE 61 5.781 1.731 1.816 483 HD12 ILE 61 HD12 ILE 61 6.774 1.589 3.291 484 HD13 ILE 61 HD13 ILE 61 7.518 2.074 1.755 485 H GLN 62 H GLN 62 8.663 -3.020 4.334 486 HA GLN 62 HA GLN 62 11.619 -3.288 4.195 487 HB2 GLN 62 HB2 GLN 62 9.763 -4.070 6.460 488 HB3 GLN 62 HB3 GLN 62 11.320 -4.888 6.196 489 HG2 GLN 62 HG2 GLN 62 12.471 -2.680 6.275 490 HG3 GLN 62 HG3 GLN 62 10.918 -1.905 6.646 491 HE21 GLN 62 HE21 GLN 62 10.672 -3.530 9.934 492 HE22 GLN 62 HE22 GLN 62 9.684 -3.150 8.539 493 H LYS 63 H LYS 63 12.219 -5.673 4.204 494 HA LYS 63 HA LYS 63 10.961 -6.909 1.976 495 HB2 LYS 63 HB2 LYS 63 12.541 -8.772 2.494 496 HB3 LYS 63 HB3 LYS 63 13.318 -7.178 2.417 497 HG2 LYS 63 HG2 LYS 63 13.154 -7.034 4.925 498 HG3 LYS 63 HG3 LYS 63 12.549 -8.708 4.937 499 HD2 LYS 63 HD2 LYS 63 14.612 -9.478 3.835 500 HD3 LYS 63 HD3 LYS 63 15.201 -7.801 3.746 501 HE2 LYS 63 HE2 LYS 63 15.124 -7.654 6.222 502 HE3 LYS 63 HE3 LYS 63 14.584 -9.343 6.300 503 HZ1 LYS 63 HZ1 LYS 63 17.119 -8.432 5.129 504 HZ2 LYS 63 HZ2 LYS 63 16.950 -9.098 6.628 505 HZ3 LYS 63 HZ3 LYS 63 16.626 -9.997 5.285 506 H GLU 64 H GLU 64 9.245 -8.175 1.837 507 HA GLU 64 HA GLU 64 7.397 -9.358 2.460 508 HB2 GLU 64 HB2 GLU 64 9.601 -10.854 3.934 509 HB3 GLU 64 HB3 GLU 64 7.972 -11.487 3.610 510 HG2 GLU 64 HG2 GLU 64 9.242 -12.337 1.827 511 HG3 GLU 64 HG3 GLU 64 8.434 -10.922 1.128 512 H SER 65 H SER 65 7.620 -7.016 4.053 513 HA SER 65 HA SER 65 6.810 -7.993 6.740 514 HB2 SER 65 HB2 SER 65 7.522 -5.235 5.666 515 HB3 SER 65 HB3 SER 65 6.939 -5.550 7.318 516 HG SER 65 HG SER 65 9.218 -5.538 7.205 517 H THR 66 H THR 66 4.890 -6.816 7.711 518 HA THR 66 HA THR 66 2.705 -6.911 5.748 519 HB THR 66 HB THR 66 2.663 -6.666 8.782 520 HG1 THR 66 HG1 THR 66 2.284 -8.911 8.659 521 HG21 THR 66 HG21 THR 66 0.530 -7.499 6.769 522 HG22 THR 66 HG22 THR 66 0.347 -7.497 8.536 523 HG23 THR 66 HG23 THR 66 0.565 -5.962 7.666 524 H LEU 67 H LEU 67 1.479 -5.199 5.127 525 HA LEU 67 HA LEU 67 2.089 -2.549 6.361 526 HB2 LEU 67 HB2 LEU 67 1.418 -3.418 3.536 527 HB3 LEU 67 HB3 LEU 67 1.014 -1.788 4.103 528 HG LEU 67 HG LEU 67 3.437 -1.553 4.850 529 HD11 LEU 67 HD11 LEU 67 3.692 -4.003 3.049 530 HD12 LEU 67 HD12 LEU 67 5.053 -3.002 3.607 531 HD13 LEU 67 HD13 LEU 67 4.091 -3.924 4.781 532 HD21 LEU 67 HD21 LEU 67 2.498 -0.463 2.849 533 HD22 LEU 67 HD22 LEU 67 4.170 -0.992 2.550 534 HD23 LEU 67 HD23 LEU 67 2.808 -1.931 1.893 535 H HIS 68 H HIS 68 0.059 -1.027 5.952 536 HA HIS 68 HA HIS 68 -2.410 -2.581 6.527 537 HB2 HIS 68 HB2 HIS 68 -1.490 -1.760 8.640 538 HB3 HIS 68 HB3 HIS 68 -1.388 -0.120 7.984 539 HD1 HIS 68 HD1 HIS 68 -4.352 -2.653 8.122 540 HD2 HIS 68 HD2 HIS 68 -3.267 1.314 9.010 541 HE1 HIS 68 HE1 HIS 68 -6.454 -1.503 9.009 542 H LEU 69 H LEU 69 -4.152 -1.940 5.370 543 HA LEU 69 HA LEU 69 -3.935 0.657 3.921 544 HB2 LEU 69 HB2 LEU 69 -3.545 -1.391 2.479 545 HB3 LEU 69 HB3 LEU 69 -5.181 -1.926 2.905 546 HG LEU 69 HG LEU 69 -5.976 0.374 2.025 547 HD11 LEU 69 HD11 LEU 69 -3.220 0.230 0.724 548 HD12 LEU 69 HD12 LEU 69 -4.481 1.437 0.382 549 HD13 LEU 69 HD13 LEU 69 -3.694 1.400 1.976 550 HD21 LEU 69 HD21 LEU 69 -5.971 -0.446 -0.304 551 HD22 LEU 69 HD22 LEU 69 -4.708 -1.630 0.112 552 HD23 LEU 69 HD23 LEU 69 -6.328 -1.760 0.838 553 H ALA 70 H ALA 70 -5.871 1.833 3.734 554 HA ALA 70 HA ALA 70 -8.207 0.719 5.214 555 HB1 ALA 70 HB1 ALA 70 -8.605 3.013 6.065 556 HB2 ALA 70 HB2 ALA 70 -7.040 2.369 6.615 557 HB3 ALA 70 HB3 ALA 70 -7.100 3.554 5.288 558 H LEU 71 H LEU 71 -10.227 1.166 4.310 559 HA LEU 71 HA LEU 71 -10.138 2.510 1.645 560 HB2 LEU 71 HB2 LEU 71 -11.768 0.130 2.626 561 HB3 LEU 71 HB3 LEU 71 -12.096 0.999 1.122 562 HG LEU 71 HG LEU 71 -10.841 -0.901 0.502 563 HD11 LEU 71 HD11 LEU 71 -10.122 1.260 -0.532 564 HD12 LEU 71 HD12 LEU 71 -8.827 1.371 0.683 565 HD13 LEU 71 HD13 LEU 71 -8.832 0.036 -0.487 566 HD21 LEU 71 HD21 LEU 71 -9.966 -1.422 2.791 567 HD22 LEU 71 HD22 LEU 71 -8.758 -1.603 1.498 568 HD23 LEU 71 HD23 LEU 71 -8.716 -0.177 2.552 569 H ARG 72 H ARG 72 -12.431 3.229 0.984 570 HA ARG 72 HA ARG 72 -13.402 5.073 2.983 571 HB2 ARG 72 HB2 ARG 72 -15.041 5.655 1.209 572 HB3 ARG 72 HB3 ARG 72 -13.376 5.630 0.586 573 HG2 ARG 72 HG2 ARG 72 -13.711 3.414 -0.370 574 HG3 ARG 72 HG3 ARG 72 -15.321 3.289 0.371 575 HD2 ARG 72 HD2 ARG 72 -14.519 5.422 -1.646 576 HD3 ARG 72 HD3 ARG 72 -15.369 3.920 -2.059 577 HE ARG 72 HE ARG 72 -16.792 5.234 0.022 578 HH11 ARG 72 HH11 ARG 72 -16.006 5.553 -3.411 579 HH12 ARG 72 HH12 ARG 72 -17.475 6.418 -3.805 580 HH21 ARG 72 HH21 ARG 72 -18.730 6.371 -0.500 581 HH22 ARG 72 HH22 ARG 72 -19.031 6.884 -2.143 582 H LEU 73 H LEU 73 -15.851 5.220 3.383 583 HA LEU 73 HA LEU 73 -16.799 2.707 4.501 584 HB2 LEU 73 HB2 LEU 73 -18.136 5.418 4.111 585 HB3 LEU 73 HB3 LEU 73 -18.804 4.077 5.063 586 HG LEU 73 HG LEU 73 -16.133 5.444 5.612 587 HD11 LEU 73 HD11 LEU 73 -17.306 6.417 7.556 588 HD12 LEU 73 HD12 LEU 73 -18.079 6.918 6.033 589 HD13 LEU 73 HD13 LEU 73 -18.823 5.647 7.031 590 HD21 LEU 73 HD21 LEU 73 -16.295 4.187 7.764 591 HD22 LEU 73 HD22 LEU 73 -17.755 3.372 7.157 592 HD23 LEU 73 HD23 LEU 73 -16.185 3.101 6.362 593 H ARG 74 H ARG 74 -19.107 1.958 3.914 594 HA ARG 74 HA ARG 74 -19.209 1.596 1.014 595 HB2 ARG 74 HB2 ARG 74 -19.683 -0.234 2.668 596 HB3 ARG 74 HB3 ARG 74 -21.144 0.652 3.167 597 HG2 ARG 74 HG2 ARG 74 -22.027 0.527 0.870 598 HG3 ARG 74 HG3 ARG 74 -20.529 -0.259 0.321 599 HD2 ARG 74 HD2 ARG 74 -22.253 -1.950 0.673 600 HD3 ARG 74 HD3 ARG 74 -20.968 -2.144 1.881 601 HE ARG 74 HE ARG 74 -23.284 -0.508 2.683 602 HH11 ARG 74 HH11 ARG 74 -21.716 -3.679 2.692 603 HH12 ARG 74 HH12 ARG 74 -22.626 -4.271 4.061 604 HH21 ARG 74 HH21 ARG 74 -24.479 -1.283 4.468 605 HH22 ARG 74 HH22 ARG 74 -24.229 -2.909 5.065 606 H GLY 75 H GLY 75 -20.933 3.359 3.577 607 HA2 GLY 75 HA2 GLY 75 -21.849 5.542 2.918 608 HA3 GLY 75 HA3 GLY 75 -22.490 4.765 1.455 609 H GLY 76 H GLY 76 -22.856 2.395 3.658 610 HA2 GLY 76 HA2 GLY 76 -24.764 3.024 5.521 611 HA3 GLY 76 HA3 GLY 76 -25.684 2.905 4.001 Start of MODEL 12 1 H1 MET 1 H MET 1 11.584 -8.609 -1.008 2 HA MET 1 HA MET 1 12.080 -8.038 -3.871 3 HB2 MET 1 HB2 MET 1 12.685 -10.352 -3.208 4 HB3 MET 1 HB3 MET 1 11.027 -10.596 -2.611 5 HG2 MET 1 HG2 MET 1 10.164 -10.057 -4.878 6 HG3 MET 1 HG3 MET 1 11.820 -9.886 -5.466 7 HE1 MET 1 HE1 MET 1 13.171 -13.357 -5.904 8 HE2 MET 1 HE2 MET 1 13.115 -11.688 -6.521 9 HE3 MET 1 HE3 MET 1 13.609 -11.999 -4.839 10 H GLN 2 H GLN 2 9.558 -9.118 -1.516 11 HA GLN 2 HA GLN 2 7.571 -7.553 -3.104 12 HB2 GLN 2 HB2 GLN 2 7.391 -10.351 -1.922 13 HB3 GLN 2 HB3 GLN 2 5.960 -9.408 -2.387 14 HG2 GLN 2 HG2 GLN 2 6.740 -9.260 -4.693 15 HG3 GLN 2 HG3 GLN 2 8.251 -10.088 -4.266 16 HE21 GLN 2 HE21 GLN 2 5.276 -12.338 -5.541 17 HE22 GLN 2 HE22 GLN 2 5.607 -10.673 -5.962 18 H ILE 3 H ILE 3 5.478 -7.355 -1.696 19 HA ILE 3 HA ILE 3 6.107 -7.165 1.193 20 HB ILE 3 HB ILE 3 4.984 -4.971 1.306 21 HG12 ILE 3 HG12 ILE 3 5.034 -5.078 -1.746 22 HG13 ILE 3 HG13 ILE 3 3.586 -5.252 -0.728 23 HG21 ILE 3 HG21 ILE 3 6.801 -3.645 0.310 24 HG22 ILE 3 HG22 ILE 3 7.451 -5.112 1.076 25 HG23 ILE 3 HG23 ILE 3 7.283 -5.032 -0.694 26 HD11 ILE 3 HD11 ILE 3 4.505 -2.955 0.315 27 HD12 ILE 3 HD12 ILE 3 5.235 -2.815 -1.292 28 HD13 ILE 3 HD13 ILE 3 3.470 -2.981 -1.143 29 H PHE 4 H PHE 4 3.890 -6.639 2.374 30 HA PHE 4 HA PHE 4 1.719 -8.128 0.982 31 HB2 PHE 4 HB2 PHE 4 2.744 -8.483 3.816 32 HB3 PHE 4 HB3 PHE 4 1.217 -9.147 3.222 33 HD1 PHE 4 HD1 PHE 4 1.172 -10.966 1.584 34 HD2 PHE 4 HD2 PHE 4 4.879 -9.437 3.129 35 HE1 PHE 4 HE1 PHE 4 2.356 -12.966 0.721 36 HE2 PHE 4 HE2 PHE 4 6.063 -11.437 2.260 37 HZ PHE 4 HZ PHE 4 4.800 -13.198 1.054 38 H VAL 5 H VAL 5 0.284 -6.541 0.589 39 HA VAL 5 HA VAL 5 -0.262 -4.546 2.707 40 HB VAL 5 HB VAL 5 -1.259 -4.774 -0.166 41 HG11 VAL 5 HG11 VAL 5 -1.961 -2.426 0.188 42 HG12 VAL 5 HG12 VAL 5 -2.772 -3.517 1.336 43 HG13 VAL 5 HG13 VAL 5 -1.403 -2.514 1.875 44 HG21 VAL 5 HG21 VAL 5 0.331 -2.918 -0.595 45 HG22 VAL 5 HG22 VAL 5 0.908 -3.032 1.084 46 HG23 VAL 5 HG23 VAL 5 1.178 -4.382 -0.045 47 H LYS 6 H LYS 6 -1.774 -5.121 4.181 48 HA LYS 6 HA LYS 6 -3.785 -7.137 3.353 49 HB2 LYS 6 HB2 LYS 6 -2.250 -7.621 5.266 50 HB3 LYS 6 HB3 LYS 6 -2.935 -6.226 6.130 51 HG2 LYS 6 HG2 LYS 6 -5.175 -7.262 6.045 52 HG3 LYS 6 HG3 LYS 6 -4.514 -8.636 5.125 53 HD2 LYS 6 HD2 LYS 6 -2.988 -9.152 7.017 54 HD3 LYS 6 HD3 LYS 6 -3.690 -7.802 7.940 55 HE2 LYS 6 HE2 LYS 6 -5.916 -8.875 7.805 56 HE3 LYS 6 HE3 LYS 6 -5.212 -10.225 6.890 57 HZ1 LYS 6 HZ1 LYS 6 -3.829 -10.693 8.781 58 HZ2 LYS 6 HZ2 LYS 6 -4.495 -9.443 9.629 59 HZ3 LYS 6 HZ3 LYS 6 -5.422 -10.739 9.205 60 H THR 7 H THR 7 -5.795 -6.488 2.942 61 HA THR 7 HA THR 7 -6.667 -3.797 3.262 62 HB THR 7 HB THR 7 -8.866 -4.722 2.609 63 HG1 THR 7 HG1 THR 7 -9.048 -6.971 2.412 64 HG21 THR 7 HG21 THR 7 -8.174 -5.824 0.491 65 HG22 THR 7 HG22 THR 7 -7.198 -4.380 0.832 66 HG23 THR 7 HG23 THR 7 -6.524 -6.000 1.130 67 H ALA 8 H ALA 8 -8.790 -3.287 4.471 68 HA ALA 8 HA ALA 8 -8.450 -3.953 7.275 69 HB1 ALA 8 HB1 ALA 8 -10.408 -2.479 7.567 70 HB2 ALA 8 HB2 ALA 8 -9.188 -1.717 6.519 71 HB3 ALA 8 HB3 ALA 8 -10.648 -2.442 5.804 72 H THR 9 H THR 9 -9.783 -5.615 4.665 73 HA THR 9 HA THR 9 -11.984 -6.795 6.256 74 HB THR 9 HB THR 9 -12.593 -7.883 4.120 75 HG1 THR 9 HG1 THR 9 -11.436 -7.293 2.269 76 HG21 THR 9 HG21 THR 9 -12.080 -4.889 3.868 77 HG22 THR 9 HG22 THR 9 -13.257 -5.832 2.923 78 HG23 THR 9 HG23 THR 9 -13.479 -5.635 4.678 79 H GLY 10 H GLY 10 -8.687 -7.214 5.793 80 HA2 GLY 10 HA2 GLY 10 -7.514 -8.892 6.952 81 HA3 GLY 10 HA3 GLY 10 -8.907 -9.978 6.802 82 H LYS 11 H LYS 11 -8.727 -8.747 3.759 83 HA LYS 11 HA LYS 11 -7.425 -11.136 2.749 84 HB2 LYS 11 HB2 LYS 11 -8.520 -8.632 1.411 85 HB3 LYS 11 HB3 LYS 11 -7.788 -9.989 0.528 86 HG2 LYS 11 HG2 LYS 11 -9.437 -11.524 1.684 87 HG3 LYS 11 HG3 LYS 11 -10.264 -10.070 2.294 88 HD2 LYS 11 HD2 LYS 11 -10.604 -9.288 -0.026 89 HD3 LYS 11 HD3 LYS 11 -9.726 -10.708 -0.641 90 HE2 LYS 11 HE2 LYS 11 -11.413 -12.195 0.400 91 HE3 LYS 11 HE3 LYS 11 -12.303 -10.773 0.983 92 HZ1 LYS 11 HZ1 LYS 11 -11.769 -11.415 -1.835 93 HZ2 LYS 11 HZ2 LYS 11 -13.203 -11.639 -1.057 94 HZ3 LYS 11 HZ3 LYS 11 -12.621 -10.114 -1.286 95 H THR 12 H THR 12 -5.273 -11.375 2.838 96 HA THR 12 HA THR 12 -3.470 -9.091 2.810 97 HB THR 12 HB THR 12 -2.832 -12.045 2.467 98 HG1 THR 12 HG1 THR 12 -2.664 -12.044 4.727 99 HG21 THR 12 HG21 THR 12 -1.266 -9.683 3.597 100 HG22 THR 12 HG22 THR 12 -0.690 -11.365 3.513 101 HG23 THR 12 HG23 THR 12 -0.990 -10.453 2.016 102 H ILE 13 H ILE 13 -2.245 -8.358 1.069 103 HA ILE 13 HA ILE 13 -2.721 -9.731 -1.529 104 HB ILE 13 HB ILE 13 -2.595 -6.727 -1.073 105 HG12 ILE 13 HG12 ILE 13 -4.996 -8.521 -1.640 106 HG13 ILE 13 HG13 ILE 13 -4.643 -7.735 -0.087 107 HG21 ILE 13 HG21 ILE 13 -3.305 -6.621 -3.422 108 HG22 ILE 13 HG22 ILE 13 -1.807 -7.566 -3.287 109 HG23 ILE 13 HG23 ILE 13 -3.365 -8.397 -3.505 110 HD11 ILE 13 HD11 ILE 13 -6.277 -6.405 -1.328 111 HD12 ILE 13 HD12 ILE 13 -4.743 -5.512 -1.208 112 HD13 ILE 13 HD13 ILE 13 -5.189 -6.322 -2.730 113 H THR 14 H THR 14 -0.805 -10.623 -2.056 114 HA THR 14 HA THR 14 1.729 -9.548 -1.210 115 HB THR 14 HB THR 14 1.103 -11.489 -3.473 116 HG1 THR 14 HG1 THR 14 1.453 -13.046 -1.807 117 HG21 THR 14 HG21 THR 14 3.417 -10.607 -3.435 118 HG22 THR 14 HG22 THR 14 3.567 -11.072 -1.723 119 HG23 THR 14 HG23 THR 14 3.381 -12.325 -2.974 120 H LEU 15 H LEU 15 2.679 -7.751 -2.031 121 HA LEU 15 HA LEU 15 1.956 -6.994 -4.819 122 HB2 LEU 15 HB2 LEU 15 0.994 -5.661 -2.771 123 HB3 LEU 15 HB3 LEU 15 2.634 -4.992 -2.665 124 HG LEU 15 HG LEU 15 2.423 -4.336 -5.109 125 HD11 LEU 15 HD11 LEU 15 -0.474 -5.150 -4.597 126 HD12 LEU 15 HD12 LEU 15 0.095 -4.237 -6.013 127 HD13 LEU 15 HD13 LEU 15 0.640 -5.908 -5.760 128 HD21 LEU 15 HD21 LEU 15 0.349 -3.240 -3.163 129 HD22 LEU 15 HD22 LEU 15 2.054 -2.740 -3.265 130 HD23 LEU 15 HD23 LEU 15 0.947 -2.405 -4.616 131 H GLU 16 H GLU 16 3.571 -5.768 -5.984 132 HA GLU 16 HA GLU 16 6.294 -5.806 -4.826 133 HB2 GLU 16 HB2 GLU 16 6.066 -7.846 -6.204 134 HB3 GLU 16 HB3 GLU 16 5.551 -6.852 -7.588 135 HG2 GLU 16 HG2 GLU 16 7.701 -5.638 -7.520 136 HG3 GLU 16 HG3 GLU 16 8.211 -6.601 -6.122 137 H VAL 17 H VAL 17 7.056 -3.764 -4.931 138 HA VAL 17 HA VAL 17 6.143 -2.090 -7.229 139 HB VAL 17 HB VAL 17 6.084 -0.168 -5.656 140 HG11 VAL 17 HG11 VAL 17 4.008 -0.831 -4.493 141 HG12 VAL 17 HG12 VAL 17 4.020 -1.418 -6.169 142 HG13 VAL 17 HG13 VAL 17 4.357 -2.541 -4.831 143 HG21 VAL 17 HG21 VAL 17 7.673 -1.075 -3.978 144 HG22 VAL 17 HG22 VAL 17 6.133 -0.599 -3.228 145 HG23 VAL 17 HG23 VAL 17 6.480 -2.317 -3.528 146 H GLU 18 H GLU 18 7.577 -0.202 -7.641 147 HA GLU 18 HA GLU 18 10.402 -0.965 -7.309 148 HB2 GLU 18 HB2 GLU 18 9.012 1.210 -8.933 149 HB3 GLU 18 HB3 GLU 18 10.765 0.942 -8.886 150 HG2 GLU 18 HG2 GLU 18 10.297 -0.325 -10.726 151 HG3 GLU 18 HG3 GLU 18 10.031 -1.564 -9.490 152 HA PRO 19 HA PRO 19 10.893 1.460 -3.750 153 HB2 PRO 19 HB2 PRO 19 13.606 2.135 -4.843 154 HB3 PRO 19 HB3 PRO 19 13.167 1.460 -3.241 155 HG2 PRO 19 HG2 PRO 19 14.214 -0.100 -5.233 156 HG3 PRO 19 HG3 PRO 19 12.963 -0.718 -4.105 157 HD2 PRO 19 HD2 PRO 19 12.666 0.154 -6.960 158 HD3 PRO 19 HD3 PRO 19 11.775 -1.103 -6.047 159 H SER 20 H SER 20 12.244 3.031 -6.725 160 HA SER 20 HA SER 20 11.888 5.646 -5.461 161 HB2 SER 20 HB2 SER 20 13.003 4.846 -8.174 162 HB3 SER 20 HB3 SER 20 13.101 6.461 -7.438 163 HG SER 20 HG SER 20 14.985 5.269 -7.044 164 H ASP 21 H ASP 21 9.661 3.715 -6.845 165 HA ASP 21 HA ASP 21 8.542 5.696 -8.718 166 HB2 ASP 21 HB2 ASP 21 7.848 2.894 -7.852 167 HB3 ASP 21 HB3 ASP 21 6.615 3.915 -8.618 168 H THR 22 H THR 22 8.776 5.462 -5.452 169 HA THR 22 HA THR 22 7.839 6.713 -3.810 170 HB THR 22 HB THR 22 5.764 7.631 -5.839 171 HG1 THR 22 HG1 THR 22 7.923 7.984 -6.533 172 HG21 THR 22 HG21 THR 22 5.764 9.657 -4.375 173 HG22 THR 22 HG22 THR 22 5.202 8.200 -3.529 174 HG23 THR 22 HG23 THR 22 6.851 8.811 -3.249 175 H ILE 23 H ILE 23 5.967 6.717 -2.354 176 HA ILE 23 HA ILE 23 4.822 4.201 -1.954 177 HB ILE 23 HB ILE 23 3.969 6.987 -1.095 178 HG12 ILE 23 HG12 ILE 23 6.200 6.064 -0.339 179 HG13 ILE 23 HG13 ILE 23 5.073 6.461 0.972 180 HG21 ILE 23 HG21 ILE 23 2.936 4.286 -0.136 181 HG22 ILE 23 HG22 ILE 23 2.621 5.844 0.663 182 HG23 ILE 23 HG23 ILE 23 2.001 5.546 -0.975 183 HD11 ILE 23 HD11 ILE 23 6.230 4.269 1.306 184 HD12 ILE 23 HD12 ILE 23 4.462 4.120 1.242 185 HD13 ILE 23 HD13 ILE 23 5.443 3.663 -0.169 186 H GLU 24 H GLU 24 3.726 6.848 -4.050 187 HA GLU 24 HA GLU 24 1.023 6.115 -4.272 188 HB2 GLU 24 HB2 GLU 24 2.046 8.196 -5.163 189 HB3 GLU 24 HB3 GLU 24 2.824 7.242 -6.449 190 HG2 GLU 24 HG2 GLU 24 0.655 6.534 -7.304 191 HG3 GLU 24 HG3 GLU 24 -0.178 7.281 -5.927 192 H ASN 25 H ASN 25 3.934 4.618 -5.609 193 HA ASN 25 HA ASN 25 2.672 3.122 -7.669 194 HB2 ASN 25 HB2 ASN 25 5.142 3.536 -7.317 195 HB3 ASN 25 HB3 ASN 25 5.098 2.335 -6.014 196 HD21 ASN 25 HD21 ASN 25 6.201 0.337 -8.853 197 HD22 ASN 25 HD22 ASN 25 6.806 1.468 -7.662 198 H VAL 26 H VAL 26 2.986 2.622 -4.154 199 HA VAL 26 HA VAL 26 2.202 -0.131 -4.163 200 HB VAL 26 HB VAL 26 1.857 2.017 -2.028 201 HG11 VAL 26 HG11 VAL 26 0.480 0.006 -1.620 202 HG12 VAL 26 HG12 VAL 26 1.912 -1.025 -1.848 203 HG13 VAL 26 HG13 VAL 26 1.831 0.094 -0.468 204 HG21 VAL 26 HG21 VAL 26 4.207 1.755 -2.778 205 HG22 VAL 26 HG22 VAL 26 3.978 1.134 -1.127 206 HG23 VAL 26 HG23 VAL 26 4.095 0.001 -2.493 207 H LYS 27 H LYS 27 0.471 2.956 -4.261 208 HA LYS 27 HA LYS 27 -2.132 1.704 -3.848 209 HB2 LYS 27 HB2 LYS 27 -1.316 4.500 -4.750 210 HB3 LYS 27 HB3 LYS 27 -2.967 3.995 -4.322 211 HG2 LYS 27 HG2 LYS 27 -2.152 3.348 -2.052 212 HG3 LYS 27 HG3 LYS 27 -0.537 3.954 -2.478 213 HD2 LYS 27 HD2 LYS 27 -3.091 5.624 -2.481 214 HD3 LYS 27 HD3 LYS 27 -1.874 5.614 -1.185 215 HE2 LYS 27 HE2 LYS 27 -0.147 6.316 -2.850 216 HE3 LYS 27 HE3 LYS 27 -1.420 6.433 -4.083 217 HZ1 LYS 27 HZ1 LYS 27 -1.272 7.979 -1.588 218 HZ2 LYS 27 HZ2 LYS 27 -0.973 8.547 -3.105 219 HZ3 LYS 27 HZ3 LYS 27 -2.497 8.071 -2.687 220 H ALA 28 H ALA 28 -0.034 2.565 -6.563 221 HA ALA 28 HA ALA 28 -2.159 2.527 -8.520 222 HB1 ALA 28 HB1 ALA 28 -0.089 3.847 -8.791 223 HB2 ALA 28 HB2 ALA 28 0.865 2.345 -8.826 224 HB3 ALA 28 HB3 ALA 28 -0.299 2.691 -10.127 225 H LYS 29 H LYS 29 0.263 0.139 -7.331 226 HA LYS 29 HA LYS 29 -0.338 -1.756 -9.416 227 HB2 LYS 29 HB2 LYS 29 0.947 -2.076 -6.677 228 HB3 LYS 29 HB3 LYS 29 0.904 -3.339 -7.925 229 HG2 LYS 29 HG2 LYS 29 2.123 -0.578 -8.329 230 HG3 LYS 29 HG3 LYS 29 3.048 -2.025 -7.877 231 HD2 LYS 29 HD2 LYS 29 2.299 -3.157 -9.945 232 HD3 LYS 29 HD3 LYS 29 1.385 -1.701 -10.409 233 HE2 LYS 29 HE2 LYS 29 3.483 -0.382 -10.373 234 HE3 LYS 29 HE3 LYS 29 4.393 -1.842 -9.935 235 HZ1 LYS 29 HZ1 LYS 29 4.476 -1.379 -12.279 236 HZ2 LYS 29 HZ2 LYS 29 3.717 -2.816 -11.998 237 HZ3 LYS 29 HZ3 LYS 29 2.835 -1.481 -12.399 238 H ILE 30 H ILE 30 -1.935 -0.824 -6.465 239 HA ILE 30 HA ILE 30 -3.417 -3.365 -6.310 240 HB ILE 30 HB ILE 30 -3.546 -0.774 -4.714 241 HG12 ILE 30 HG12 ILE 30 -2.569 -3.563 -3.954 242 HG13 ILE 30 HG13 ILE 30 -1.501 -2.246 -4.484 243 HG21 ILE 30 HG21 ILE 30 -4.989 -3.434 -4.320 244 HG22 ILE 30 HG22 ILE 30 -4.996 -2.083 -3.164 245 HG23 ILE 30 HG23 ILE 30 -5.750 -1.886 -4.759 246 HD11 ILE 30 HD11 ILE 30 -2.352 -0.833 -2.607 247 HD12 ILE 30 HD12 ILE 30 -3.320 -2.214 -2.040 248 HD13 ILE 30 HD13 ILE 30 -1.546 -2.316 -2.044 249 H GLN 31 H GLN 31 -3.627 -0.196 -7.777 250 HA GLN 31 HA GLN 31 -6.455 -0.012 -8.026 251 HB2 GLN 31 HB2 GLN 31 -4.871 1.850 -8.444 252 HB3 GLN 31 HB3 GLN 31 -4.247 0.990 -9.870 253 HG2 GLN 31 HG2 GLN 31 -6.515 1.043 -10.880 254 HG3 GLN 31 HG3 GLN 31 -7.115 1.933 -9.467 255 HE21 GLN 31 HE21 GLN 31 -4.405 3.840 -11.996 256 HE22 GLN 31 HE22 GLN 31 -4.294 2.115 -11.732 257 H ASP 32 H ASP 32 -3.947 -1.761 -9.864 258 HA ASP 32 HA ASP 32 -5.799 -2.517 -11.978 259 HB2 ASP 32 HB2 ASP 32 -3.386 -2.219 -12.388 260 HB3 ASP 32 HB3 ASP 32 -3.023 -3.522 -11.238 261 H LYS 33 H LYS 33 -4.746 -3.799 -8.861 262 HA LYS 33 HA LYS 33 -5.687 -6.490 -9.525 263 HB2 LYS 33 HB2 LYS 33 -3.603 -5.965 -8.175 264 HB3 LYS 33 HB3 LYS 33 -4.670 -5.394 -6.876 265 HG2 LYS 33 HG2 LYS 33 -4.089 -7.695 -6.410 266 HG3 LYS 33 HG3 LYS 33 -5.793 -7.668 -6.914 267 HD2 LYS 33 HD2 LYS 33 -5.165 -8.373 -9.180 268 HD3 LYS 33 HD3 LYS 33 -3.440 -8.267 -8.761 269 HE2 LYS 33 HE2 LYS 33 -3.755 -10.019 -7.041 270 HE3 LYS 33 HE3 LYS 33 -5.473 -10.135 -7.475 271 HZ1 LYS 33 HZ1 LYS 33 -4.147 -11.814 -8.542 272 HZ2 LYS 33 HZ2 LYS 33 -4.820 -10.808 -9.662 273 HZ3 LYS 33 HZ3 LYS 33 -3.222 -10.669 -9.287 274 H GLU 34 H GLU 34 -6.389 -4.116 -6.881 275 HA GLU 34 HA GLU 34 -8.861 -5.545 -6.275 276 HB2 GLU 34 HB2 GLU 34 -7.217 -4.533 -4.597 277 HB3 GLU 34 HB3 GLU 34 -7.830 -2.940 -5.093 278 HG2 GLU 34 HG2 GLU 34 -8.997 -3.780 -3.078 279 HG3 GLU 34 HG3 GLU 34 -10.115 -3.617 -4.445 280 H GLY 35 H GLY 35 -7.864 -2.928 -8.304 281 HA2 GLY 35 HA2 GLY 35 -9.179 -1.842 -9.876 282 HA3 GLY 35 HA3 GLY 35 -10.628 -2.525 -9.125 283 H ILE 36 H ILE 36 -9.015 -1.292 -6.534 284 HA ILE 36 HA ILE 36 -10.779 1.024 -6.442 285 HB ILE 36 HB ILE 36 -8.669 0.031 -4.485 286 HG12 ILE 36 HG12 ILE 36 -11.685 -0.418 -4.552 287 HG13 ILE 36 HG13 ILE 36 -10.468 -1.625 -5.018 288 HG21 ILE 36 HG21 ILE 36 -10.076 1.380 -2.869 289 HG22 ILE 36 HG22 ILE 36 -9.242 2.368 -4.091 290 HG23 ILE 36 HG23 ILE 36 -10.977 2.011 -4.261 291 HD11 ILE 36 HD11 ILE 36 -10.793 -0.358 -2.266 292 HD12 ILE 36 HD12 ILE 36 -11.151 -2.038 -2.716 293 HD13 ILE 36 HD13 ILE 36 -9.471 -1.456 -2.728 294 HA PRO 37 HA PRO 37 -7.604 3.667 -8.192 295 HB2 PRO 37 HB2 PRO 37 -9.535 5.816 -7.485 296 HB3 PRO 37 HB3 PRO 37 -8.828 5.418 -9.082 297 HG2 PRO 37 HG2 PRO 37 -11.451 4.873 -8.436 298 HG3 PRO 37 HG3 PRO 37 -10.487 3.840 -9.542 299 HD2 PRO 37 HD2 PRO 37 -11.180 3.383 -6.650 300 HD3 PRO 37 HD3 PRO 37 -11.026 2.204 -7.988 301 HA PRO 38 HA PRO 38 -5.624 5.497 -4.690 302 HB2 PRO 38 HB2 PRO 38 -5.423 8.081 -6.180 303 HB3 PRO 38 HB3 PRO 38 -4.118 7.091 -5.452 304 HG2 PRO 38 HG2 PRO 38 -4.556 7.164 -8.160 305 HG3 PRO 38 HG3 PRO 38 -4.011 5.675 -7.321 306 HD2 PRO 38 HD2 PRO 38 -6.757 6.388 -8.313 307 HD3 PRO 38 HD3 PRO 38 -5.944 4.793 -8.248 308 H ASP 39 H ASP 39 -5.718 7.402 -3.157 309 HA ASP 39 HA ASP 39 -6.766 8.925 -1.870 310 HB2 ASP 39 HB2 ASP 39 -7.249 10.066 -4.063 311 HB3 ASP 39 HB3 ASP 39 -8.834 9.265 -4.061 312 H GLN 40 H GLN 40 -8.946 6.596 -3.506 313 HA GLN 40 HA GLN 40 -10.848 6.560 -1.312 314 HB2 GLN 40 HB2 GLN 40 -10.301 4.704 -3.663 315 HB3 GLN 40 HB3 GLN 40 -11.620 4.459 -2.493 316 HG2 GLN 40 HG2 GLN 40 -12.536 6.683 -3.028 317 HG3 GLN 40 HG3 GLN 40 -11.211 6.967 -4.174 318 HE21 GLN 40 HE21 GLN 40 -12.854 5.428 -6.848 319 HE22 GLN 40 HE22 GLN 40 -11.610 6.511 -6.267 320 H GLN 41 H GLN 41 -7.697 5.343 -1.890 321 HA GLN 41 HA GLN 41 -7.972 3.409 0.351 322 HB2 GLN 41 HB2 GLN 41 -6.128 2.173 -0.676 323 HB3 GLN 41 HB3 GLN 41 -7.438 2.386 -1.855 324 HG2 GLN 41 HG2 GLN 41 -6.219 4.348 -2.800 325 HG3 GLN 41 HG3 GLN 41 -4.896 4.056 -1.653 326 HE21 GLN 41 HE21 GLN 41 -5.129 1.967 -5.132 327 HE22 GLN 41 HE22 GLN 41 -6.212 3.279 -4.729 328 H ARG 42 H ARG 42 -6.209 3.314 1.844 329 HA ARG 42 HA ARG 42 -4.252 5.529 1.814 330 HB2 ARG 42 HB2 ARG 42 -6.380 5.010 3.923 331 HB3 ARG 42 HB3 ARG 42 -4.886 5.913 4.274 332 HG2 ARG 42 HG2 ARG 42 -5.396 7.556 2.555 333 HG3 ARG 42 HG3 ARG 42 -6.809 6.621 2.021 334 HD2 ARG 42 HD2 ARG 42 -6.479 7.864 4.776 335 HD3 ARG 42 HD3 ARG 42 -7.446 8.540 3.450 336 HE ARG 42 HE ARG 42 -8.058 5.789 4.363 337 HH11 ARG 42 HH11 ARG 42 -8.916 9.216 4.199 338 HH12 ARG 42 HH12 ARG 42 -10.550 8.973 4.772 339 HH21 ARG 42 HH21 ARG 42 -10.212 5.470 5.133 340 HH22 ARG 42 HH22 ARG 42 -11.284 6.840 5.311 341 H LEU 43 H LEU 43 -2.376 5.035 2.984 342 HA LEU 43 HA LEU 43 -2.116 2.162 3.728 343 HB2 LEU 43 HB2 LEU 43 -0.302 4.190 2.379 344 HB3 LEU 43 HB3 LEU 43 0.348 2.711 3.111 345 HG LEU 43 HG LEU 43 -1.869 2.699 1.030 346 HD11 LEU 43 HD11 LEU 43 -0.103 2.050 -0.570 347 HD12 LEU 43 HD12 LEU 43 0.214 3.666 0.101 348 HD13 LEU 43 HD13 LEU 43 1.130 2.261 0.696 349 HD21 LEU 43 HD21 LEU 43 -1.231 0.327 0.802 350 HD22 LEU 43 HD22 LEU 43 0.017 0.529 2.049 351 HD23 LEU 43 HD23 LEU 43 -1.704 0.678 2.480 352 H ALA 44 H ALA 44 -0.593 1.653 5.430 353 HA ALA 44 HA ALA 44 0.582 3.731 7.068 354 HB1 ALA 44 HB1 ALA 44 -0.674 3.154 9.123 355 HB2 ALA 44 HB2 ALA 44 -1.742 3.855 7.885 356 HB3 ALA 44 HB3 ALA 44 -1.744 2.099 8.170 357 H PHE 45 H PHE 45 1.726 2.689 8.980 358 HA PHE 45 HA PHE 45 2.095 -0.224 8.718 359 HB2 PHE 45 HB2 PHE 45 3.767 0.939 7.233 360 HB3 PHE 45 HB3 PHE 45 4.435 1.709 8.677 361 HD1 PHE 45 HD1 PHE 45 5.163 0.078 10.610 362 HD2 PHE 45 HD2 PHE 45 4.568 -1.144 6.533 363 HE1 PHE 45 HE1 PHE 45 6.562 -1.931 11.006 364 HE2 PHE 45 HE2 PHE 45 5.980 -3.141 6.926 365 HZ PHE 45 HZ PHE 45 6.981 -3.534 9.162 366 H ALA 46 H ALA 46 1.555 -0.866 10.730 367 HA ALA 46 HA ALA 46 1.446 -0.971 12.997 368 HB1 ALA 46 HB1 ALA 46 3.843 -1.471 12.661 369 HB2 ALA 46 HB2 ALA 46 4.219 0.262 12.818 370 HB3 ALA 46 HB3 ALA 46 3.548 -0.631 14.202 371 H GLY 47 H GLY 47 0.700 1.645 11.528 372 HA2 GLY 47 HA2 GLY 47 -0.663 3.287 12.596 373 HA3 GLY 47 HA3 GLY 47 0.395 3.230 14.019 374 H LYS 48 H LYS 48 2.629 3.133 11.680 375 HA LYS 48 HA LYS 48 3.147 6.001 11.796 376 HB2 LYS 48 HB2 LYS 48 4.552 3.765 10.274 377 HB3 LYS 48 HB3 LYS 48 5.167 5.416 10.518 378 HG2 LYS 48 HG2 LYS 48 5.168 5.051 12.969 379 HG3 LYS 48 HG3 LYS 48 4.563 3.396 12.726 380 HD2 LYS 48 HD2 LYS 48 6.580 2.824 11.438 381 HD3 LYS 48 HD3 LYS 48 7.179 4.492 11.605 382 HE2 LYS 48 HE2 LYS 48 7.238 4.238 14.056 383 HE3 LYS 48 HE3 LYS 48 6.605 2.585 13.913 384 HZ1 LYS 48 HZ1 LYS 48 8.988 2.641 14.161 385 HZ2 LYS 48 HZ2 LYS 48 8.563 1.991 12.707 386 HZ3 LYS 48 HZ3 LYS 48 9.147 3.531 12.782 387 H GLN 49 H GLN 49 2.386 7.461 10.349 388 HA GLN 49 HA GLN 49 0.692 6.598 8.206 389 HB2 GLN 49 HB2 GLN 49 0.595 8.983 7.642 390 HB3 GLN 49 HB3 GLN 49 0.422 8.753 9.395 391 HG2 GLN 49 HG2 GLN 49 2.802 9.310 9.720 392 HG3 GLN 49 HG3 GLN 49 3.010 9.492 7.966 393 HE21 GLN 49 HE21 GLN 49 2.008 12.709 10.053 394 HE22 GLN 49 HE22 GLN 49 2.824 11.285 10.665 395 H LEU 50 H LEU 50 1.066 6.413 6.018 396 HA LEU 50 HA LEU 50 3.905 6.725 5.160 397 HB2 LEU 50 HB2 LEU 50 1.684 4.990 4.000 398 HB3 LEU 50 HB3 LEU 50 3.349 5.096 3.389 399 HG LEU 50 HG LEU 50 2.536 4.140 6.171 400 HD11 LEU 50 HD11 LEU 50 3.606 2.639 3.743 401 HD12 LEU 50 HD12 LEU 50 3.295 1.934 5.348 402 HD13 LEU 50 HD13 LEU 50 1.945 2.554 4.374 403 HD21 LEU 50 HD21 LEU 50 4.748 5.234 6.161 404 HD22 LEU 50 HD22 LEU 50 4.919 3.476 6.354 405 HD23 LEU 50 HD23 LEU 50 5.246 4.232 4.776 406 H GLU 51 H GLU 51 4.324 8.016 3.352 407 HA GLU 51 HA GLU 51 2.005 9.189 1.960 408 HB2 GLU 51 HB2 GLU 51 2.454 10.563 4.005 409 HB3 GLU 51 HB3 GLU 51 4.093 10.879 3.396 410 HG2 GLU 51 HG2 GLU 51 3.213 12.022 1.449 411 HG3 GLU 51 HG3 GLU 51 1.558 11.506 1.832 412 H ASP 52 H ASP 52 2.628 10.385 0.034 413 HA ASP 52 HA ASP 52 4.864 9.139 -1.337 414 HB2 ASP 52 HB2 ASP 52 4.034 10.492 -3.244 415 HB3 ASP 52 HB3 ASP 52 2.738 9.554 -2.477 416 H GLY 53 H GLY 53 6.457 10.471 -2.569 417 HA2 GLY 53 HA2 GLY 53 7.513 12.632 -2.863 418 HA3 GLY 53 HA3 GLY 53 7.146 13.007 -1.168 419 H ARG 54 H ARG 54 7.954 9.827 -1.016 420 HA ARG 54 HA ARG 54 10.880 10.276 -1.025 421 HB2 ARG 54 HB2 ARG 54 10.076 10.835 1.235 422 HB3 ARG 54 HB3 ARG 54 9.257 9.267 1.343 423 HG2 ARG 54 HG2 ARG 54 11.411 8.096 1.197 424 HG3 ARG 54 HG3 ARG 54 12.258 9.647 0.971 425 HD2 ARG 54 HD2 ARG 54 11.461 10.406 3.180 426 HD3 ARG 54 HD3 ARG 54 10.607 8.866 3.408 427 HE ARG 54 HE ARG 54 13.225 8.129 2.897 428 HH11 ARG 54 HH11 ARG 54 11.611 10.244 5.231 429 HH12 ARG 54 HH12 ARG 54 12.796 9.975 6.488 430 HH21 ARG 54 HH21 ARG 54 14.773 7.771 4.554 431 HH22 ARG 54 HH22 ARG 54 14.592 8.549 6.111 432 H THR 55 H THR 55 12.107 8.288 -1.050 433 HA THR 55 HA THR 55 11.015 6.212 -2.638 434 HB THR 55 HB THR 55 13.398 6.164 -0.731 435 HG1 THR 55 HG1 THR 55 14.500 6.723 -2.712 436 HG21 THR 55 HG21 THR 55 14.274 4.429 -2.220 437 HG22 THR 55 HG22 THR 55 12.684 3.930 -1.598 438 HG23 THR 55 HG23 THR 55 12.836 4.559 -3.257 439 H LEU 56 H LEU 56 9.584 4.656 -2.090 440 HA LEU 56 HA LEU 56 8.528 4.517 0.512 441 HB2 LEU 56 HB2 LEU 56 7.255 2.597 -0.329 442 HB3 LEU 56 HB3 LEU 56 7.313 3.905 -1.524 443 HG LEU 56 HG LEU 56 9.469 2.513 -2.356 444 HD11 LEU 56 HD11 LEU 56 9.193 0.771 -0.576 445 HD12 LEU 56 HD12 LEU 56 7.566 0.423 -1.201 446 HD13 LEU 56 HD13 LEU 56 8.995 0.096 -2.208 447 HD21 LEU 56 HD21 LEU 56 6.550 1.863 -2.947 448 HD22 LEU 56 HD22 LEU 56 7.525 3.133 -3.723 449 HD23 LEU 56 HD23 LEU 56 7.927 1.421 -3.982 450 H SER 57 H SER 57 11.101 2.567 -1.039 451 HA SER 57 HA SER 57 11.138 0.603 1.049 452 HB2 SER 57 HB2 SER 57 13.277 1.403 -0.965 453 HB3 SER 57 HB3 SER 57 13.251 -0.098 -0.008 454 HG SER 57 HG SER 57 12.364 -0.367 -2.108 455 H ASP 58 H ASP 58 12.450 3.830 0.745 456 HA ASP 58 HA ASP 58 14.379 3.368 2.934 457 HB2 ASP 58 HB2 ASP 58 14.998 4.708 0.920 458 HB3 ASP 58 HB3 ASP 58 13.727 5.875 1.340 459 H TYR 59 H TYR 59 11.108 4.292 2.419 460 HA TYR 59 HA TYR 59 10.931 6.166 4.613 461 HB2 TYR 59 HB2 TYR 59 9.482 5.739 2.389 462 HB3 TYR 59 HB3 TYR 59 8.511 4.792 3.518 463 HD1 TYR 59 HD1 TYR 59 8.114 7.568 1.923 464 HD2 TYR 59 HD2 TYR 59 8.880 6.478 6.010 465 HE1 TYR 59 HE1 TYR 59 7.044 9.673 2.679 466 HE2 TYR 59 HE2 TYR 59 7.803 8.574 6.777 467 HH TYR 59 HH TYR 59 6.749 10.523 6.149 468 H ASN 60 H ASN 60 9.182 3.033 4.118 469 HA ASN 60 HA ASN 60 9.811 2.259 6.896 470 HB2 ASN 60 HB2 ASN 60 7.079 3.061 5.873 471 HB3 ASN 60 HB3 ASN 60 7.246 1.841 7.151 472 HD21 ASN 60 HD21 ASN 60 7.336 5.702 8.168 473 HD22 ASN 60 HD22 ASN 60 6.740 5.081 6.645 474 H ILE 61 H ILE 61 8.609 1.581 3.646 475 HA ILE 61 HA ILE 61 7.645 -1.039 4.017 476 HB ILE 61 HB ILE 61 8.894 0.446 1.690 477 HG12 ILE 61 HG12 ILE 61 6.564 -0.110 0.774 478 HG13 ILE 61 HG13 ILE 61 6.145 -0.666 2.407 479 HG21 ILE 61 HG21 ILE 61 8.309 -1.523 0.282 480 HG22 ILE 61 HG22 ILE 61 9.614 -1.883 1.430 481 HG23 ILE 61 HG23 ILE 61 7.959 -2.452 1.758 482 HD11 ILE 61 HD11 ILE 61 5.517 1.746 1.863 483 HD12 ILE 61 HD12 ILE 61 6.523 1.549 3.320 484 HD13 ILE 61 HD13 ILE 61 7.252 2.106 1.798 485 H GLN 62 H GLN 62 8.586 -3.048 4.104 486 HA GLN 62 HA GLN 62 11.554 -3.169 3.994 487 HB2 GLN 62 HB2 GLN 62 9.697 -4.124 6.194 488 HB3 GLN 62 HB3 GLN 62 11.309 -4.835 5.949 489 HG2 GLN 62 HG2 GLN 62 12.367 -2.650 6.206 490 HG3 GLN 62 HG3 GLN 62 10.780 -1.864 6.334 491 HE21 GLN 62 HE21 GLN 62 10.575 -2.293 9.794 492 HE22 GLN 62 HE22 GLN 62 10.135 -1.401 8.354 493 H LYS 63 H LYS 63 12.264 -5.530 3.907 494 HA LYS 63 HA LYS 63 11.095 -6.735 1.628 495 HB2 LYS 63 HB2 LYS 63 12.676 -8.591 2.137 496 HB3 LYS 63 HB3 LYS 63 13.443 -6.990 2.176 497 HG2 LYS 63 HG2 LYS 63 13.174 -6.965 4.670 498 HG3 LYS 63 HG3 LYS 63 12.547 -8.628 4.586 499 HD2 LYS 63 HD2 LYS 63 14.653 -9.378 3.542 500 HD3 LYS 63 HD3 LYS 63 15.278 -7.711 3.592 501 HE2 LYS 63 HE2 LYS 63 15.047 -7.714 6.064 502 HE3 LYS 63 HE3 LYS 63 14.465 -9.390 6.003 503 HZ1 LYS 63 HZ1 LYS 63 17.097 -8.465 5.083 504 HZ2 LYS 63 HZ2 LYS 63 16.797 -9.257 6.498 505 HZ3 LYS 63 HZ3 LYS 63 16.558 -10.023 5.057 506 H GLU 64 H GLU 64 9.361 -7.978 1.400 507 HA GLU 64 HA GLU 64 7.483 -9.160 1.971 508 HB2 GLU 64 HB2 GLU 64 9.710 -10.733 3.323 509 HB3 GLU 64 HB3 GLU 64 8.066 -11.347 3.042 510 HG2 GLU 64 HG2 GLU 64 9.268 -12.131 1.180 511 HG3 GLU 64 HG3 GLU 64 8.430 -10.693 0.566 512 H SER 65 H SER 65 7.629 -6.915 3.615 513 HA SER 65 HA SER 65 7.033 -7.943 6.328 514 HB2 SER 65 HB2 SER 65 8.618 -5.938 5.703 515 HB3 SER 65 HB3 SER 65 7.098 -5.023 5.571 516 HG SER 65 HG SER 65 8.093 -5.046 7.694 517 H THR 66 H THR 66 5.151 -6.794 7.452 518 HA THR 66 HA THR 66 2.818 -7.006 5.665 519 HB THR 66 HB THR 66 2.988 -6.800 8.697 520 HG1 THR 66 HG1 THR 66 2.704 -9.070 8.559 521 HG21 THR 66 HG21 THR 66 0.778 -7.731 6.812 522 HG22 THR 66 HG22 THR 66 0.706 -7.753 8.588 523 HG23 THR 66 HG23 THR 66 0.789 -6.201 7.722 524 H LEU 67 H LEU 67 1.510 -5.329 5.147 525 HA LEU 67 HA LEU 67 2.139 -2.670 6.351 526 HB2 LEU 67 HB2 LEU 67 1.420 -3.583 3.560 527 HB3 LEU 67 HB3 LEU 67 0.958 -1.961 4.104 528 HG LEU 67 HG LEU 67 3.386 -1.608 4.799 529 HD11 LEU 67 HD11 LEU 67 3.708 -4.112 3.082 530 HD12 LEU 67 HD12 LEU 67 5.038 -3.038 3.574 531 HD13 LEU 67 HD13 LEU 67 4.137 -3.950 4.801 532 HD21 LEU 67 HD21 LEU 67 2.370 -0.643 2.756 533 HD22 LEU 67 HD22 LEU 67 4.070 -1.086 2.486 534 HD23 LEU 67 HD23 LEU 67 2.771 -2.126 1.859 535 H HIS 68 H HIS 68 0.139 -1.147 6.072 536 HA HIS 68 HA HIS 68 -2.332 -2.666 6.752 537 HB2 HIS 68 HB2 HIS 68 -1.254 -1.609 8.726 538 HB3 HIS 68 HB3 HIS 68 -1.358 -0.036 7.923 539 HD1 HIS 68 HD1 HIS 68 -3.386 -2.386 10.016 540 HD2 HIS 68 HD2 HIS 68 -3.954 0.896 7.447 541 HE1 HIS 68 HE1 HIS 68 -5.754 -1.517 10.453 542 H LEU 69 H LEU 69 -4.104 -2.145 5.599 543 HA LEU 69 HA LEU 69 -3.973 0.269 3.846 544 HB2 LEU 69 HB2 LEU 69 -3.415 -1.901 2.686 545 HB3 LEU 69 HB3 LEU 69 -5.000 -2.525 3.172 546 HG LEU 69 HG LEU 69 -6.012 -0.513 1.961 547 HD11 LEU 69 HD11 LEU 69 -3.189 -0.451 0.793 548 HD12 LEU 69 HD12 LEU 69 -4.572 0.497 0.203 549 HD13 LEU 69 HD13 LEU 69 -3.900 0.816 1.819 550 HD21 LEU 69 HD21 LEU 69 -5.829 -1.610 -0.233 551 HD22 LEU 69 HD22 LEU 69 -4.411 -2.526 0.330 552 HD23 LEU 69 HD23 LEU 69 -6.006 -2.817 1.060 553 H ALA 70 H ALA 70 -5.791 1.528 3.950 554 HA ALA 70 HA ALA 70 -8.237 0.331 5.171 555 HB1 ALA 70 HB1 ALA 70 -8.588 2.507 6.293 556 HB2 ALA 70 HB2 ALA 70 -7.054 1.759 6.795 557 HB3 ALA 70 HB3 ALA 70 -7.051 3.098 5.623 558 H LEU 71 H LEU 71 -10.090 0.634 4.016 559 HA LEU 71 HA LEU 71 -9.868 2.365 1.603 560 HB2 LEU 71 HB2 LEU 71 -11.517 -0.117 2.244 561 HB3 LEU 71 HB3 LEU 71 -11.762 0.875 0.803 562 HG LEU 71 HG LEU 71 -10.414 -0.964 0.140 563 HD11 LEU 71 HD11 LEU 71 -9.749 1.276 -0.734 564 HD12 LEU 71 HD12 LEU 71 -8.542 1.395 0.566 565 HD13 LEU 71 HD13 LEU 71 -8.392 0.128 -0.669 566 HD21 LEU 71 HD21 LEU 71 -9.628 -1.581 2.441 567 HD22 LEU 71 HD22 LEU 71 -8.352 -1.633 1.202 568 HD23 LEU 71 HD23 LEU 71 -8.428 -0.269 2.334 569 H ARG 72 H ARG 72 -12.162 2.984 0.777 570 HA ARG 72 HA ARG 72 -13.314 4.768 2.726 571 HB2 ARG 72 HB2 ARG 72 -14.829 5.341 0.843 572 HB3 ARG 72 HB3 ARG 72 -13.122 5.349 0.345 573 HG2 ARG 72 HG2 ARG 72 -13.361 3.088 -0.600 574 HG3 ARG 72 HG3 ARG 72 -15.055 3.022 -0.060 575 HD2 ARG 72 HD2 ARG 72 -13.930 5.094 -1.987 576 HD3 ARG 72 HD3 ARG 72 -14.798 3.626 -2.479 577 HE ARG 72 HE ARG 72 -16.375 5.068 -0.588 578 HH11 ARG 72 HH11 ARG 72 -15.244 5.174 -3.938 579 HH12 ARG 72 HH12 ARG 72 -16.645 6.045 -4.522 580 HH21 ARG 72 HH21 ARG 72 -18.216 6.218 -1.359 581 HH22 ARG 72 HH22 ARG 72 -18.336 6.647 -3.051 582 H LEU 73 H LEU 73 -15.763 4.865 2.975 583 HA LEU 73 HA LEU 73 -16.762 2.242 3.847 584 HB2 LEU 73 HB2 LEU 73 -17.918 5.060 3.972 585 HB3 LEU 73 HB3 LEU 73 -18.667 3.623 4.699 586 HG LEU 73 HG LEU 73 -15.879 4.652 5.384 587 HD11 LEU 73 HD11 LEU 73 -16.921 5.399 7.494 588 HD12 LEU 73 HD12 LEU 73 -17.661 6.213 6.097 589 HD13 LEU 73 HD13 LEU 73 -18.514 4.874 6.900 590 HD21 LEU 73 HD21 LEU 73 -16.138 3.081 7.313 591 HD22 LEU 73 HD22 LEU 73 -17.671 2.511 6.613 592 HD23 LEU 73 HD23 LEU 73 -16.140 2.238 5.749 593 H ARG 74 H ARG 74 -19.153 1.771 3.295 594 HA ARG 74 HA ARG 74 -19.405 1.641 0.428 595 HB2 ARG 74 HB2 ARG 74 -20.260 -0.050 2.124 596 HB3 ARG 74 HB3 ARG 74 -21.564 1.101 2.503 597 HG2 ARG 74 HG2 ARG 74 -22.315 1.059 0.164 598 HG3 ARG 74 HG3 ARG 74 -20.926 0.047 -0.287 599 HD2 ARG 74 HD2 ARG 74 -22.827 -1.408 -0.081 600 HD3 ARG 74 HD3 ARG 74 -21.774 -1.710 1.316 601 HE ARG 74 HE ARG 74 -23.673 0.280 2.024 602 HH11 ARG 74 HH11 ARG 74 -23.590 -3.138 1.113 603 HH12 ARG 74 HH12 ARG 74 -25.054 -3.538 1.983 604 HH21 ARG 74 HH21 ARG 74 -25.590 -0.250 3.167 605 HH22 ARG 74 HH22 ARG 74 -26.203 -1.888 3.144 606 H GLY 75 H GLY 75 -20.633 3.744 3.003 607 HA2 GLY 75 HA2 GLY 75 -21.207 6.005 2.591 608 HA3 GLY 75 HA3 GLY 75 -21.664 5.586 0.927 609 H GLY 76 H GLY 76 -22.948 3.087 2.562 610 HA2 GLY 76 HA2 GLY 76 -25.044 3.869 4.150 611 HA3 GLY 76 HA3 GLY 76 -25.625 4.188 2.498 Start of MODEL 13 1 H1 MET 1 H MET 1 11.632 -8.855 -0.562 2 HA MET 1 HA MET 1 12.218 -8.695 -3.460 3 HB2 MET 1 HB2 MET 1 12.612 -10.952 -2.489 4 HB3 MET 1 HB3 MET 1 10.925 -10.981 -1.928 5 HG2 MET 1 HG2 MET 1 10.164 -10.677 -4.270 6 HG3 MET 1 HG3 MET 1 11.843 -10.683 -4.813 7 HE1 MET 1 HE1 MET 1 10.351 -14.037 -6.195 8 HE2 MET 1 HE2 MET 1 9.497 -12.491 -5.980 9 HE3 MET 1 HE3 MET 1 11.165 -12.507 -6.599 10 H GLN 2 H GLN 2 9.506 -9.557 -1.228 11 HA GLN 2 HA GLN 2 7.759 -7.714 -2.792 12 HB2 GLN 2 HB2 GLN 2 7.268 -10.594 -1.952 13 HB3 GLN 2 HB3 GLN 2 5.953 -9.479 -2.383 14 HG2 GLN 2 HG2 GLN 2 6.923 -9.115 -4.596 15 HG3 GLN 2 HG3 GLN 2 8.314 -10.135 -4.184 16 HE21 GLN 2 HE21 GLN 2 5.569 -12.014 -6.112 17 HE22 GLN 2 HE22 GLN 2 6.260 -10.423 -6.346 18 H ILE 3 H ILE 3 5.611 -7.446 -1.478 19 HA ILE 3 HA ILE 3 6.155 -7.540 1.438 20 HB ILE 3 HB ILE 3 5.215 -5.282 1.691 21 HG12 ILE 3 HG12 ILE 3 5.245 -5.208 -1.362 22 HG13 ILE 3 HG13 ILE 3 3.795 -5.324 -0.340 23 HG21 ILE 3 HG21 ILE 3 7.122 -4.028 0.777 24 HG22 ILE 3 HG22 ILE 3 7.669 -5.589 1.430 25 HG23 ILE 3 HG23 ILE 3 7.498 -5.370 -0.328 26 HD11 ILE 3 HD11 ILE 3 4.896 -3.169 0.819 27 HD12 ILE 3 HD12 ILE 3 5.626 -2.996 -0.785 28 HD13 ILE 3 HD13 ILE 3 3.854 -3.033 -0.629 29 H PHE 4 H PHE 4 3.960 -6.914 2.614 30 HA PHE 4 HA PHE 4 1.717 -8.158 1.118 31 HB2 PHE 4 HB2 PHE 4 2.751 -8.798 3.877 32 HB3 PHE 4 HB3 PHE 4 1.073 -9.104 3.422 33 HD1 PHE 4 HD1 PHE 4 0.513 -10.697 1.617 34 HD2 PHE 4 HD2 PHE 4 4.508 -10.292 3.138 35 HE1 PHE 4 HE1 PHE 4 1.100 -12.912 0.674 36 HE2 PHE 4 HE2 PHE 4 5.102 -12.488 2.175 37 HZ PHE 4 HZ PHE 4 3.400 -13.803 0.939 38 H VAL 5 H VAL 5 0.171 -6.744 0.861 39 HA VAL 5 HA VAL 5 -0.221 -4.615 2.897 40 HB VAL 5 HB VAL 5 -1.173 -4.927 0.016 41 HG11 VAL 5 HG11 VAL 5 -2.045 -2.612 0.318 42 HG12 VAL 5 HG12 VAL 5 -2.868 -3.779 1.377 43 HG13 VAL 5 HG13 VAL 5 -1.623 -2.698 2.044 44 HG21 VAL 5 HG21 VAL 5 0.292 -2.962 -0.362 45 HG22 VAL 5 HG22 VAL 5 0.788 -3.005 1.346 46 HG23 VAL 5 HG23 VAL 5 1.219 -4.347 0.259 47 H LYS 6 H LYS 6 -1.775 -5.032 4.384 48 HA LYS 6 HA LYS 6 -3.794 -7.090 3.677 49 HB2 LYS 6 HB2 LYS 6 -2.308 -7.472 5.649 50 HB3 LYS 6 HB3 LYS 6 -2.975 -6.005 6.403 51 HG2 LYS 6 HG2 LYS 6 -5.214 -6.967 6.401 52 HG3 LYS 6 HG3 LYS 6 -4.647 -8.372 5.466 53 HD2 LYS 6 HD2 LYS 6 -3.182 -9.042 7.323 54 HD3 LYS 6 HD3 LYS 6 -3.716 -7.630 8.269 55 HE2 LYS 6 HE2 LYS 6 -6.044 -8.457 8.188 56 HE3 LYS 6 HE3 LYS 6 -5.521 -9.852 7.224 57 HZ1 LYS 6 HZ1 LYS 6 -4.154 -10.530 9.057 58 HZ2 LYS 6 HZ2 LYS 6 -4.640 -9.234 9.956 59 HZ3 LYS 6 HZ3 LYS 6 -5.728 -10.397 9.532 60 H THR 7 H THR 7 -5.694 -6.313 2.999 61 HA THR 7 HA THR 7 -6.415 -3.550 3.280 62 HB THR 7 HB THR 7 -8.526 -4.285 2.239 63 HG1 THR 7 HG1 THR 7 -8.851 -6.490 1.916 64 HG21 THR 7 HG21 THR 7 -7.583 -5.285 0.195 65 HG22 THR 7 HG22 THR 7 -6.507 -4.012 0.814 66 HG23 THR 7 HG23 THR 7 -6.101 -5.723 1.076 67 H ALA 8 H ALA 8 -8.717 -3.005 4.142 68 HA ALA 8 HA ALA 8 -8.878 -3.896 6.930 69 HB1 ALA 8 HB1 ALA 8 -10.709 -2.228 7.038 70 HB2 ALA 8 HB2 ALA 8 -9.223 -1.527 6.355 71 HB3 ALA 8 HB3 ALA 8 -10.570 -1.974 5.282 72 H THR 9 H THR 9 -9.831 -5.159 3.981 73 HA THR 9 HA THR 9 -12.464 -6.102 4.935 74 HB THR 9 HB THR 9 -12.721 -6.903 2.606 75 HG1 THR 9 HG1 THR 9 -11.098 -6.283 1.119 76 HG21 THR 9 HG21 THR 9 -11.768 -4.016 2.832 77 HG22 THR 9 HG22 THR 9 -12.823 -4.674 1.559 78 HG23 THR 9 HG23 THR 9 -13.396 -4.605 3.242 79 H GLY 10 H GLY 10 -9.289 -7.037 5.272 80 HA2 GLY 10 HA2 GLY 10 -8.665 -9.002 6.376 81 HA3 GLY 10 HA3 GLY 10 -10.146 -9.797 5.813 82 H LYS 11 H LYS 11 -8.975 -8.303 3.086 83 HA LYS 11 HA LYS 11 -7.869 -10.826 2.108 84 HB2 LYS 11 HB2 LYS 11 -8.466 -8.147 0.811 85 HB3 LYS 11 HB3 LYS 11 -7.675 -9.491 -0.044 86 HG2 LYS 11 HG2 LYS 11 -9.600 -10.969 0.598 87 HG3 LYS 11 HG3 LYS 11 -10.430 -9.539 1.256 88 HD2 LYS 11 HD2 LYS 11 -10.427 -8.472 -0.938 89 HD3 LYS 11 HD3 LYS 11 -9.408 -9.769 -1.608 90 HE2 LYS 11 HE2 LYS 11 -11.192 -11.416 -1.146 91 HE3 LYS 11 HE3 LYS 11 -12.219 -10.125 -0.492 92 HZ1 LYS 11 HZ1 LYS 11 -11.197 -10.256 -3.244 93 HZ2 LYS 11 HZ2 LYS 11 -12.730 -10.637 -2.772 94 HZ3 LYS 11 HZ3 LYS 11 -12.185 -9.087 -2.633 95 H THR 12 H THR 12 -5.833 -11.377 2.335 96 HA THR 12 HA THR 12 -3.686 -9.446 2.779 97 HB THR 12 HB THR 12 -3.559 -12.404 2.056 98 HG1 THR 12 HG1 THR 12 -3.585 -12.725 4.313 99 HG21 THR 12 HG21 THR 12 -1.692 -10.660 3.709 100 HG22 THR 12 HG22 THR 12 -1.435 -12.356 3.249 101 HG23 THR 12 HG23 THR 12 -1.430 -11.090 2.001 102 H ILE 13 H ILE 13 -2.286 -8.653 1.195 103 HA ILE 13 HA ILE 13 -2.714 -9.702 -1.554 104 HB ILE 13 HB ILE 13 -2.399 -6.774 -0.808 105 HG12 ILE 13 HG12 ILE 13 -4.870 -8.325 -1.696 106 HG13 ILE 13 HG13 ILE 13 -4.579 -7.700 -0.059 107 HG21 ILE 13 HG21 ILE 13 -2.931 -6.407 -3.182 108 HG22 ILE 13 HG22 ILE 13 -1.514 -7.466 -3.037 109 HG23 ILE 13 HG23 ILE 13 -3.104 -8.160 -3.432 110 HD11 ILE 13 HD11 ILE 13 -6.026 -6.158 -1.293 111 HD12 ILE 13 HD12 ILE 13 -4.452 -5.389 -0.978 112 HD13 ILE 13 HD13 ILE 13 -4.827 -6.031 -2.596 113 H THR 14 H THR 14 -0.864 -10.667 -2.124 114 HA THR 14 HA THR 14 1.738 -9.851 -1.151 115 HB THR 14 HB THR 14 1.005 -11.494 -3.612 116 HG1 THR 14 HG1 THR 14 1.231 -13.252 -2.151 117 HG21 THR 14 HG21 THR 14 3.470 -11.431 -1.816 118 HG22 THR 14 HG22 THR 14 3.224 -12.517 -3.205 119 HG23 THR 14 HG23 THR 14 3.366 -10.763 -3.462 120 H LEU 15 H LEU 15 2.785 -8.006 -1.827 121 HA LEU 15 HA LEU 15 1.979 -6.958 -4.496 122 HB2 LEU 15 HB2 LEU 15 1.218 -5.780 -2.268 123 HB3 LEU 15 HB3 LEU 15 2.894 -5.197 -2.228 124 HG LEU 15 HG LEU 15 2.555 -4.341 -4.589 125 HD11 LEU 15 HD11 LEU 15 -0.342 -5.049 -3.943 126 HD12 LEU 15 HD12 LEU 15 0.180 -4.051 -5.318 127 HD13 LEU 15 HD13 LEU 15 0.651 -5.761 -5.235 128 HD21 LEU 15 HD21 LEU 15 1.843 -3.235 -2.125 129 HD22 LEU 15 HD22 LEU 15 2.019 -2.346 -3.664 130 HD23 LEU 15 HD23 LEU 15 0.423 -2.932 -3.141 131 H GLU 16 H GLU 16 3.554 -5.866 -5.716 132 HA GLU 16 HA GLU 16 6.348 -5.999 -4.746 133 HB2 GLU 16 HB2 GLU 16 5.883 -8.013 -6.149 134 HB3 GLU 16 HB3 GLU 16 5.391 -6.944 -7.481 135 HG2 GLU 16 HG2 GLU 16 7.629 -5.929 -7.524 136 HG3 GLU 16 HG3 GLU 16 8.121 -6.909 -6.127 137 H VAL 17 H VAL 17 7.113 -3.941 -4.849 138 HA VAL 17 HA VAL 17 6.015 -2.232 -7.043 139 HB VAL 17 HB VAL 17 6.102 -0.340 -5.442 140 HG11 VAL 17 HG11 VAL 17 4.159 -1.040 -4.079 141 HG12 VAL 17 HG12 VAL 17 4.006 -1.597 -5.760 142 HG13 VAL 17 HG13 VAL 17 4.486 -2.740 -4.483 143 HG21 VAL 17 HG21 VAL 17 7.852 -1.232 -3.940 144 HG22 VAL 17 HG22 VAL 17 6.381 -0.818 -3.031 145 HG23 VAL 17 HG23 VAL 17 6.744 -2.519 -3.407 146 H GLU 18 H GLU 18 7.375 -0.476 -7.745 147 HA GLU 18 HA GLU 18 10.172 -1.191 -7.896 148 HB2 GLU 18 HB2 GLU 18 8.450 1.086 -8.904 149 HB3 GLU 18 HB3 GLU 18 10.220 1.134 -9.044 150 HG2 GLU 18 HG2 GLU 18 9.380 0.218 -11.096 151 HG3 GLU 18 HG3 GLU 18 10.139 -1.102 -10.192 152 HA PRO 19 HA PRO 19 11.334 0.525 -4.059 153 HB2 PRO 19 HB2 PRO 19 13.967 0.948 -5.439 154 HB3 PRO 19 HB3 PRO 19 13.628 0.147 -3.870 155 HG2 PRO 19 HG2 PRO 19 14.151 -1.286 -6.136 156 HG3 PRO 19 HG3 PRO 19 12.953 -1.846 -4.924 157 HD2 PRO 19 HD2 PRO 19 12.481 -0.576 -7.600 158 HD3 PRO 19 HD3 PRO 19 11.506 -1.793 -6.722 159 H SER 20 H SER 20 11.700 2.363 -7.064 160 HA SER 20 HA SER 20 12.061 4.835 -5.428 161 HB2 SER 20 HB2 SER 20 13.201 4.180 -8.166 162 HB3 SER 20 HB3 SER 20 13.439 5.693 -7.263 163 HG SER 20 HG SER 20 15.154 4.182 -6.982 164 H ASP 21 H ASP 21 9.559 3.505 -6.648 165 HA ASP 21 HA ASP 21 8.818 5.577 -8.647 166 HB2 ASP 21 HB2 ASP 21 7.797 2.843 -7.899 167 HB3 ASP 21 HB3 ASP 21 6.698 4.007 -8.664 168 H THR 22 H THR 22 8.916 5.350 -5.381 169 HA THR 22 HA THR 22 7.995 6.657 -3.767 170 HB THR 22 HB THR 22 6.082 7.702 -5.883 171 HG1 THR 22 HG1 THR 22 7.665 8.898 -6.571 172 HG21 THR 22 HG21 THR 22 6.116 9.738 -4.450 173 HG22 THR 22 HG22 THR 22 5.442 8.332 -3.603 174 HG23 THR 22 HG23 THR 22 7.107 8.865 -3.259 175 H ILE 23 H ILE 23 6.057 6.827 -2.404 176 HA ILE 23 HA ILE 23 4.745 4.385 -2.039 177 HB ILE 23 HB ILE 23 4.040 7.221 -1.205 178 HG12 ILE 23 HG12 ILE 23 6.205 6.257 -0.395 179 HG13 ILE 23 HG13 ILE 23 5.054 6.611 0.906 180 HG21 ILE 23 HG21 ILE 23 2.862 4.579 -0.251 181 HG22 ILE 23 HG22 ILE 23 2.612 6.155 0.537 182 HG23 ILE 23 HG23 ILE 23 2.003 5.879 -1.109 183 HD11 ILE 23 HD11 ILE 23 6.175 4.420 1.223 184 HD12 ILE 23 HD12 ILE 23 4.417 4.244 1.041 185 HD13 ILE 23 HD13 ILE 23 5.497 3.855 -0.320 186 H GLU 24 H GLU 24 3.945 7.074 -4.190 187 HA GLU 24 HA GLU 24 1.194 6.652 -4.494 188 HB2 GLU 24 HB2 GLU 24 2.463 8.552 -5.437 189 HB3 GLU 24 HB3 GLU 24 3.250 7.452 -6.592 190 HG2 GLU 24 HG2 GLU 24 1.033 6.862 -7.533 191 HG3 GLU 24 HG3 GLU 24 0.253 7.963 -6.380 192 H ASN 25 H ASN 25 3.965 4.838 -5.789 193 HA ASN 25 HA ASN 25 2.488 3.405 -7.770 194 HB2 ASN 25 HB2 ASN 25 4.974 3.735 -7.662 195 HB3 ASN 25 HB3 ASN 25 5.027 2.596 -6.304 196 HD21 ASN 25 HD21 ASN 25 5.860 0.428 -9.085 197 HD22 ASN 25 HD22 ASN 25 6.566 1.611 -8.008 198 H VAL 26 H VAL 26 3.033 2.937 -4.287 199 HA VAL 26 HA VAL 26 2.326 0.189 -4.185 200 HB VAL 26 HB VAL 26 1.941 2.384 -2.106 201 HG11 VAL 26 HG11 VAL 26 0.689 0.320 -1.586 202 HG12 VAL 26 HG12 VAL 26 2.162 -0.644 -1.841 203 HG13 VAL 26 HG13 VAL 26 2.077 0.510 -0.490 204 HG21 VAL 26 HG21 VAL 26 4.275 2.229 -2.921 205 HG22 VAL 26 HG22 VAL 26 4.134 1.634 -1.252 206 HG23 VAL 26 HG23 VAL 26 4.270 0.479 -2.597 207 H LYS 27 H LYS 27 0.421 3.176 -4.373 208 HA LYS 27 HA LYS 27 -2.091 1.796 -3.805 209 HB2 LYS 27 HB2 LYS 27 -1.481 4.583 -4.877 210 HB3 LYS 27 HB3 LYS 27 -3.081 3.998 -4.364 211 HG2 LYS 27 HG2 LYS 27 -2.148 3.529 -2.094 212 HG3 LYS 27 HG3 LYS 27 -0.594 4.222 -2.611 213 HD2 LYS 27 HD2 LYS 27 -3.262 5.701 -2.603 214 HD3 LYS 27 HD3 LYS 27 -1.992 5.864 -1.368 215 HE2 LYS 27 HE2 LYS 27 -0.398 6.602 -3.128 216 HE3 LYS 27 HE3 LYS 27 -1.695 6.493 -4.334 217 HZ1 LYS 27 HZ1 LYS 27 -1.677 8.251 -1.980 218 HZ2 LYS 27 HZ2 LYS 27 -1.421 8.713 -3.542 219 HZ3 LYS 27 HZ3 LYS 27 -2.898 8.143 -3.084 220 H ALA 28 H ALA 28 -0.133 2.680 -6.624 221 HA ALA 28 HA ALA 28 -2.253 2.488 -8.541 222 HB1 ALA 28 HB1 ALA 28 -0.140 3.704 -8.939 223 HB2 ALA 28 HB2 ALA 28 0.758 2.168 -8.864 224 HB3 ALA 28 HB3 ALA 28 -0.409 2.454 -10.177 225 H LYS 29 H LYS 29 0.092 0.141 -7.177 226 HA LYS 29 HA LYS 29 -0.545 -1.945 -9.036 227 HB2 LYS 29 HB2 LYS 29 0.553 -2.038 -6.197 228 HB3 LYS 29 HB3 LYS 29 0.558 -3.399 -7.336 229 HG2 LYS 29 HG2 LYS 29 1.914 -0.724 -7.872 230 HG3 LYS 29 HG3 LYS 29 2.736 -2.151 -7.209 231 HD2 LYS 29 HD2 LYS 29 2.091 -3.452 -9.221 232 HD3 LYS 29 HD3 LYS 29 1.337 -1.992 -9.907 233 HE2 LYS 29 HE2 LYS 29 3.500 -0.817 -9.820 234 HE3 LYS 29 HE3 LYS 29 4.259 -2.241 -9.077 235 HZ1 LYS 29 HZ1 LYS 29 4.656 -2.138 -11.425 236 HZ2 LYS 29 HZ2 LYS 29 3.760 -3.471 -11.053 237 HZ3 LYS 29 HZ3 LYS 29 3.039 -2.159 -11.746 238 H ILE 30 H ILE 30 -2.176 -0.624 -6.245 239 HA ILE 30 HA ILE 30 -3.758 -3.073 -5.838 240 HB ILE 30 HB ILE 30 -3.719 -0.345 -4.483 241 HG12 ILE 30 HG12 ILE 30 -2.861 -3.099 -3.489 242 HG13 ILE 30 HG13 ILE 30 -1.744 -1.902 -4.181 243 HG21 ILE 30 HG21 ILE 30 -5.268 -2.874 -3.766 244 HG22 ILE 30 HG22 ILE 30 -5.191 -1.392 -2.786 245 HG23 ILE 30 HG23 ILE 30 -5.979 -1.360 -4.376 246 HD11 ILE 30 HD11 ILE 30 -2.442 -0.266 -2.437 247 HD12 ILE 30 HD12 ILE 30 -3.478 -1.515 -1.707 248 HD13 ILE 30 HD13 ILE 30 -1.714 -1.733 -1.742 249 H GLN 31 H GLN 31 -4.000 0.109 -7.408 250 HA GLN 31 HA GLN 31 -6.847 0.109 -7.669 251 HB2 GLN 31 HB2 GLN 31 -5.484 2.108 -8.057 252 HB3 GLN 31 HB3 GLN 31 -4.665 1.313 -9.422 253 HG2 GLN 31 HG2 GLN 31 -6.786 1.143 -10.639 254 HG3 GLN 31 HG3 GLN 31 -7.663 1.826 -9.256 255 HE21 GLN 31 HE21 GLN 31 -7.391 4.795 -11.262 256 HE22 GLN 31 HE22 GLN 31 -8.381 3.376 -10.998 257 H ASP 32 H ASP 32 -4.204 -1.481 -9.415 258 HA ASP 32 HA ASP 32 -5.913 -2.335 -11.612 259 HB2 ASP 32 HB2 ASP 32 -3.509 -1.836 -11.896 260 HB3 ASP 32 HB3 ASP 32 -3.106 -3.153 -10.778 261 H LYS 33 H LYS 33 -4.934 -3.567 -8.449 262 HA LYS 33 HA LYS 33 -5.771 -6.287 -9.220 263 HB2 LYS 33 HB2 LYS 33 -3.599 -5.819 -8.034 264 HB3 LYS 33 HB3 LYS 33 -4.543 -5.293 -6.626 265 HG2 LYS 33 HG2 LYS 33 -3.906 -7.609 -6.301 266 HG3 LYS 33 HG3 LYS 33 -5.655 -7.565 -6.615 267 HD2 LYS 33 HD2 LYS 33 -5.287 -8.206 -8.951 268 HD3 LYS 33 HD3 LYS 33 -3.524 -8.099 -8.732 269 HE2 LYS 33 HE2 LYS 33 -3.632 -9.900 -7.035 270 HE3 LYS 33 HE3 LYS 33 -5.387 -10.016 -7.273 271 HZ1 LYS 33 HZ1 LYS 33 -4.207 -11.660 -8.532 272 HZ2 LYS 33 HZ2 LYS 33 -4.974 -10.615 -9.550 273 HZ3 LYS 33 HZ3 LYS 33 -3.343 -10.504 -9.328 274 H GLU 34 H GLU 34 -6.389 -3.924 -6.555 275 HA GLU 34 HA GLU 34 -8.716 -5.474 -5.695 276 HB2 GLU 34 HB2 GLU 34 -7.020 -4.312 -4.180 277 HB3 GLU 34 HB3 GLU 34 -7.731 -2.772 -4.703 278 HG2 GLU 34 HG2 GLU 34 -8.710 -3.556 -2.569 279 HG3 GLU 34 HG3 GLU 34 -9.931 -3.491 -3.854 280 H GLY 35 H GLY 35 -8.007 -2.922 -7.902 281 HA2 GLY 35 HA2 GLY 35 -9.460 -1.958 -9.419 282 HA3 GLY 35 HA3 GLY 35 -10.830 -2.684 -8.559 283 H ILE 36 H ILE 36 -9.064 -1.235 -6.156 284 HA ILE 36 HA ILE 36 -10.898 1.070 -6.143 285 HB ILE 36 HB ILE 36 -8.920 0.061 -4.058 286 HG12 ILE 36 HG12 ILE 36 -11.940 -0.313 -4.275 287 HG13 ILE 36 HG13 ILE 36 -10.735 -1.559 -4.659 288 HG21 ILE 36 HG21 ILE 36 -10.378 1.475 -2.546 289 HG22 ILE 36 HG22 ILE 36 -9.458 2.419 -3.741 290 HG23 ILE 36 HG23 ILE 36 -11.189 2.097 -3.997 291 HD11 ILE 36 HD11 ILE 36 -11.168 -0.241 -1.948 292 HD12 ILE 36 HD12 ILE 36 -11.545 -1.919 -2.393 293 HD13 ILE 36 HD13 ILE 36 -9.852 -1.380 -2.323 294 HA PRO 37 HA PRO 37 -7.583 3.559 -7.854 295 HB2 PRO 37 HB2 PRO 37 -9.472 5.773 -7.200 296 HB3 PRO 37 HB3 PRO 37 -8.705 5.371 -8.769 297 HG2 PRO 37 HG2 PRO 37 -11.361 4.880 -8.251 298 HG3 PRO 37 HG3 PRO 37 -10.370 3.816 -9.302 299 HD2 PRO 37 HD2 PRO 37 -11.221 3.394 -6.450 300 HD3 PRO 37 HD3 PRO 37 -11.013 2.201 -7.767 301 HA PRO 38 HA PRO 38 -5.604 5.354 -4.336 302 HB2 PRO 38 HB2 PRO 38 -5.239 7.915 -5.822 303 HB3 PRO 38 HB3 PRO 38 -4.000 6.840 -5.100 304 HG2 PRO 38 HG2 PRO 38 -4.429 6.980 -7.811 305 HG3 PRO 38 HG3 PRO 38 -3.944 5.460 -6.991 306 HD2 PRO 38 HD2 PRO 38 -6.659 6.293 -7.975 307 HD3 PRO 38 HD3 PRO 38 -5.909 4.668 -7.934 308 H ASP 39 H ASP 39 -5.667 7.292 -2.833 309 HA ASP 39 HA ASP 39 -6.707 8.882 -1.613 310 HB2 ASP 39 HB2 ASP 39 -7.071 9.997 -3.838 311 HB3 ASP 39 HB3 ASP 39 -8.673 9.232 -3.898 312 H GLN 40 H GLN 40 -8.995 6.689 -3.331 313 HA GLN 40 HA GLN 40 -10.947 6.755 -1.214 314 HB2 GLN 40 HB2 GLN 40 -10.372 4.785 -3.464 315 HB3 GLN 40 HB3 GLN 40 -11.753 4.641 -2.350 316 HG2 GLN 40 HG2 GLN 40 -12.536 6.885 -3.006 317 HG3 GLN 40 HG3 GLN 40 -11.157 7.055 -4.109 318 HE21 GLN 40 HE21 GLN 40 -12.840 5.550 -6.775 319 HE22 GLN 40 HE22 GLN 40 -11.597 6.636 -6.195 320 H GLN 41 H GLN 41 -7.841 5.324 -1.626 321 HA GLN 41 HA GLN 41 -8.288 3.637 0.783 322 HB2 GLN 41 HB2 GLN 41 -6.531 2.165 -0.034 323 HB3 GLN 41 HB3 GLN 41 -7.777 2.333 -1.290 324 HG2 GLN 41 HG2 GLN 41 -6.395 4.070 -2.408 325 HG3 GLN 41 HG3 GLN 41 -5.148 3.874 -1.159 326 HE21 GLN 41 HE21 GLN 41 -5.511 1.181 -4.246 327 HE22 GLN 41 HE22 GLN 41 -6.689 2.448 -3.998 328 H ARG 42 H ARG 42 -6.347 3.483 2.206 329 HA ARG 42 HA ARG 42 -4.402 5.694 1.876 330 HB2 ARG 42 HB2 ARG 42 -6.283 5.272 4.221 331 HB3 ARG 42 HB3 ARG 42 -4.737 6.136 4.392 332 HG2 ARG 42 HG2 ARG 42 -5.386 7.739 2.664 333 HG3 ARG 42 HG3 ARG 42 -6.905 6.863 2.376 334 HD2 ARG 42 HD2 ARG 42 -6.131 8.077 5.057 335 HD3 ARG 42 HD3 ARG 42 -7.137 8.899 3.848 336 HE ARG 42 HE ARG 42 -8.183 6.285 4.416 337 HH11 ARG 42 HH11 ARG 42 -7.970 9.593 5.648 338 HH12 ARG 42 HH12 ARG 42 -9.481 9.510 6.523 339 HH21 ARG 42 HH21 ARG 42 -10.169 6.168 5.574 340 HH22 ARG 42 HH22 ARG 42 -10.731 7.546 6.493 341 H LEU 43 H LEU 43 -2.390 5.179 2.596 342 HA LEU 43 HA LEU 43 -1.992 2.342 3.301 343 HB2 LEU 43 HB2 LEU 43 -0.310 4.580 2.132 344 HB3 LEU 43 HB3 LEU 43 0.443 3.096 2.746 345 HG LEU 43 HG LEU 43 -1.781 3.104 0.672 346 HD11 LEU 43 HD11 LEU 43 0.021 2.658 -0.961 347 HD12 LEU 43 HD12 LEU 43 0.240 4.245 -0.186 348 HD13 LEU 43 HD13 LEU 43 1.238 2.862 0.322 349 HD21 LEU 43 HD21 LEU 43 -0.981 0.785 0.290 350 HD22 LEU 43 HD22 LEU 43 0.212 0.985 1.595 351 HD23 LEU 43 HD23 LEU 43 -1.529 1.009 1.965 352 H ALA 44 H ALA 44 -0.430 1.725 4.910 353 HA ALA 44 HA ALA 44 0.667 3.681 6.739 354 HB1 ALA 44 HB1 ALA 44 -1.553 1.816 7.678 355 HB2 ALA 44 HB2 ALA 44 -0.518 2.804 8.737 356 HB3 ALA 44 HB3 ALA 44 -1.635 3.591 7.600 357 H PHE 45 H PHE 45 1.821 2.467 8.573 358 HA PHE 45 HA PHE 45 2.478 -0.334 7.893 359 HB2 PHE 45 HB2 PHE 45 4.081 1.240 6.744 360 HB3 PHE 45 HB3 PHE 45 4.582 1.811 8.339 361 HD1 PHE 45 HD1 PHE 45 5.336 -0.108 10.023 362 HD2 PHE 45 HD2 PHE 45 5.264 -0.491 5.742 363 HE1 PHE 45 HE1 PHE 45 6.976 -1.961 10.159 364 HE2 PHE 45 HE2 PHE 45 6.908 -2.339 5.881 365 HZ PHE 45 HZ PHE 45 7.766 -3.074 8.090 366 H ALA 46 H ALA 46 1.934 -1.366 9.744 367 HA ALA 46 HA ALA 46 1.708 -1.837 11.959 368 HB1 ALA 46 HB1 ALA 46 4.153 -1.972 11.812 369 HB2 ALA 46 HB2 ALA 46 4.281 -0.229 12.149 370 HB3 ALA 46 HB3 ALA 46 3.649 -1.330 13.394 371 H GLY 47 H GLY 47 0.701 0.841 10.783 372 HA2 GLY 47 HA2 GLY 47 -0.978 2.102 11.936 373 HA3 GLY 47 HA3 GLY 47 -0.004 2.019 13.418 374 H LYS 48 H LYS 48 2.400 2.549 11.363 375 HA LYS 48 HA LYS 48 2.433 5.416 11.796 376 HB2 LYS 48 HB2 LYS 48 4.258 3.631 10.131 377 HB3 LYS 48 HB3 LYS 48 4.595 5.301 10.633 378 HG2 LYS 48 HG2 LYS 48 4.454 4.582 13.021 379 HG3 LYS 48 HG3 LYS 48 4.213 2.903 12.480 380 HD2 LYS 48 HD2 LYS 48 6.392 2.961 11.311 381 HD3 LYS 48 HD3 LYS 48 6.625 4.651 11.822 382 HE2 LYS 48 HE2 LYS 48 6.504 3.931 14.198 383 HE3 LYS 48 HE3 LYS 48 6.331 2.246 13.669 384 HZ1 LYS 48 HZ1 LYS 48 8.588 2.796 14.234 385 HZ2 LYS 48 HZ2 LYS 48 8.470 2.408 12.634 386 HZ3 LYS 48 HZ3 LYS 48 8.626 3.985 13.093 387 H GLN 49 H GLN 49 1.553 6.928 10.483 388 HA GLN 49 HA GLN 49 0.240 6.178 8.041 389 HB2 GLN 49 HB2 GLN 49 -0.192 8.595 7.841 390 HB3 GLN 49 HB3 GLN 49 -0.530 8.013 9.485 391 HG2 GLN 49 HG2 GLN 49 1.768 8.790 10.162 392 HG3 GLN 49 HG3 GLN 49 1.954 9.505 8.546 393 HE21 GLN 49 HE21 GLN 49 0.636 12.502 9.840 394 HE22 GLN 49 HE22 GLN 49 2.002 11.674 9.132 395 H LEU 50 H LEU 50 0.841 6.518 5.906 396 HA LEU 50 HA LEU 50 3.736 7.104 5.508 397 HB2 LEU 50 HB2 LEU 50 1.797 5.461 3.829 398 HB3 LEU 50 HB3 LEU 50 3.510 5.735 3.455 399 HG LEU 50 HG LEU 50 2.448 4.362 5.964 400 HD11 LEU 50 HD11 LEU 50 3.868 3.245 3.509 401 HD12 LEU 50 HD12 LEU 50 3.362 2.318 4.944 402 HD13 LEU 50 HD13 LEU 50 2.140 3.047 3.882 403 HD21 LEU 50 HD21 LEU 50 4.594 5.532 6.345 404 HD22 LEU 50 HD22 LEU 50 4.828 3.773 6.333 405 HD23 LEU 50 HD23 LEU 50 5.286 4.739 4.910 406 H GLU 51 H GLU 51 4.311 8.312 3.572 407 HA GLU 51 HA GLU 51 2.101 9.805 2.303 408 HB2 GLU 51 HB2 GLU 51 2.859 11.083 4.324 409 HB3 GLU 51 HB3 GLU 51 4.490 11.156 3.623 410 HG2 GLU 51 HG2 GLU 51 3.612 12.366 1.668 411 HG3 GLU 51 HG3 GLU 51 1.959 12.224 2.301 412 H ASP 52 H ASP 52 2.749 10.848 0.326 413 HA ASP 52 HA ASP 52 4.882 9.378 -1.052 414 HB2 ASP 52 HB2 ASP 52 3.948 10.498 -3.052 415 HB3 ASP 52 HB3 ASP 52 2.710 9.624 -2.133 416 H GLY 53 H GLY 53 6.382 10.606 -2.505 417 HA2 GLY 53 HA2 GLY 53 7.384 12.757 -3.041 418 HA3 GLY 53 HA3 GLY 53 7.107 13.262 -1.362 419 H ARG 54 H ARG 54 7.942 10.053 -1.165 420 HA ARG 54 HA ARG 54 10.858 10.564 -1.198 421 HB2 ARG 54 HB2 ARG 54 10.027 11.077 1.075 422 HB3 ARG 54 HB3 ARG 54 9.278 9.471 1.163 423 HG2 ARG 54 HG2 ARG 54 11.487 8.403 0.975 424 HG3 ARG 54 HG3 ARG 54 12.254 9.998 0.783 425 HD2 ARG 54 HD2 ARG 54 11.430 10.666 3.015 426 HD3 ARG 54 HD3 ARG 54 10.658 9.080 3.213 427 HE ARG 54 HE ARG 54 13.280 8.446 2.698 428 HH11 ARG 54 HH11 ARG 54 11.668 10.589 5.027 429 HH12 ARG 54 HH12 ARG 54 12.938 10.446 6.218 430 HH21 ARG 54 HH21 ARG 54 14.893 8.207 4.306 431 HH22 ARG 54 HH22 ARG 54 14.748 9.047 5.835 432 H THR 55 H THR 55 12.125 8.622 -1.258 433 HA THR 55 HA THR 55 11.095 6.498 -2.828 434 HB THR 55 HB THR 55 13.495 6.536 -0.940 435 HG1 THR 55 HG1 THR 55 14.576 7.236 -2.857 436 HG21 THR 55 HG21 THR 55 14.435 4.884 -2.480 437 HG22 THR 55 HG22 THR 55 12.867 4.303 -1.873 438 HG23 THR 55 HG23 THR 55 12.991 4.991 -3.512 439 H LEU 56 H LEU 56 9.676 4.936 -2.223 440 HA LEU 56 HA LEU 56 8.762 4.721 0.433 441 HB2 LEU 56 HB2 LEU 56 7.471 2.811 -0.367 442 HB3 LEU 56 HB3 LEU 56 7.468 4.110 -1.572 443 HG LEU 56 HG LEU 56 9.601 2.740 -2.486 444 HD11 LEU 56 HD11 LEU 56 9.446 1.012 -0.685 445 HD12 LEU 56 HD12 LEU 56 7.796 0.629 -1.221 446 HD13 LEU 56 HD13 LEU 56 9.177 0.317 -2.297 447 HD21 LEU 56 HD21 LEU 56 6.672 2.025 -2.941 448 HD22 LEU 56 HD22 LEU 56 7.577 3.316 -3.763 449 HD23 LEU 56 HD23 LEU 56 8.012 1.613 -4.038 450 H SER 57 H SER 57 11.334 2.930 -1.284 451 HA SER 57 HA SER 57 11.561 0.896 0.741 452 HB2 SER 57 HB2 SER 57 13.494 1.864 -1.403 453 HB3 SER 57 HB3 SER 57 13.682 0.374 -0.447 454 HG SER 57 HG SER 57 12.650 0.026 -2.476 455 H ASP 58 H ASP 58 12.634 4.201 0.491 456 HA ASP 58 HA ASP 58 14.708 3.794 2.560 457 HB2 ASP 58 HB2 ASP 58 15.118 5.235 0.546 458 HB3 ASP 58 HB3 ASP 58 13.836 6.324 1.116 459 H TYR 59 H TYR 59 11.370 4.517 2.223 460 HA TYR 59 HA TYR 59 11.174 6.324 4.467 461 HB2 TYR 59 HB2 TYR 59 9.663 5.869 2.302 462 HB3 TYR 59 HB3 TYR 59 8.805 4.818 3.432 463 HD1 TYR 59 HD1 TYR 59 8.415 7.770 1.964 464 HD2 TYR 59 HD2 TYR 59 8.902 6.272 5.961 465 HE1 TYR 59 HE1 TYR 59 7.229 9.763 2.847 466 HE2 TYR 59 HE2 TYR 59 7.703 8.248 6.857 467 HH TYR 59 HH TYR 59 6.634 10.221 6.356 468 H ASN 60 H ASN 60 9.560 3.117 3.997 469 HA ASN 60 HA ASN 60 10.390 2.297 6.702 470 HB2 ASN 60 HB2 ASN 60 7.590 3.104 5.927 471 HB3 ASN 60 HB3 ASN 60 7.838 1.789 7.093 472 HD21 ASN 60 HD21 ASN 60 7.946 5.531 8.433 473 HD22 ASN 60 HD22 ASN 60 7.214 5.014 6.930 474 H ILE 61 H ILE 61 9.044 1.632 3.505 475 HA ILE 61 HA ILE 61 8.103 -0.988 3.898 476 HB ILE 61 HB ILE 61 9.325 0.479 1.545 477 HG12 ILE 61 HG12 ILE 61 6.981 -0.102 0.663 478 HG13 ILE 61 HG13 ILE 61 6.587 -0.631 2.312 479 HG21 ILE 61 HG21 ILE 61 8.728 -1.503 0.154 480 HG22 ILE 61 HG22 ILE 61 10.044 -1.856 1.294 481 HG23 ILE 61 HG23 ILE 61 8.391 -2.421 1.640 482 HD11 ILE 61 HD11 ILE 61 5.948 1.769 1.748 483 HD12 ILE 61 HD12 ILE 61 6.997 1.598 3.180 484 HD13 ILE 61 HD13 ILE 61 7.678 2.130 1.630 485 H GLN 62 H GLN 62 9.038 -2.951 4.162 486 HA GLN 62 HA GLN 62 11.979 -3.161 3.830 487 HB2 GLN 62 HB2 GLN 62 10.314 -3.822 6.274 488 HB3 GLN 62 HB3 GLN 62 11.862 -4.639 5.950 489 HG2 GLN 62 HG2 GLN 62 13.019 -2.475 5.846 490 HG3 GLN 62 HG3 GLN 62 11.485 -1.622 6.104 491 HE21 GLN 62 HE21 GLN 62 12.213 -1.530 9.541 492 HE22 GLN 62 HE22 GLN 62 11.889 -0.648 8.064 493 H LYS 63 H LYS 63 12.620 -5.565 3.917 494 HA LYS 63 HA LYS 63 11.232 -6.874 1.837 495 HB2 LYS 63 HB2 LYS 63 12.720 -8.775 2.338 496 HB3 LYS 63 HB3 LYS 63 13.601 -7.238 2.279 497 HG2 LYS 63 HG2 LYS 63 13.624 -7.123 4.739 498 HG3 LYS 63 HG3 LYS 63 12.670 -8.623 4.829 499 HD2 LYS 63 HD2 LYS 63 14.477 -9.812 3.583 500 HD3 LYS 63 HD3 LYS 63 15.458 -8.329 3.649 501 HE2 LYS 63 HE2 LYS 63 15.412 -8.380 6.102 502 HE3 LYS 63 HE3 LYS 63 14.344 -9.798 6.074 503 HZ1 LYS 63 HZ1 LYS 63 17.081 -9.706 5.011 504 HZ2 LYS 63 HZ2 LYS 63 16.621 -10.406 6.432 505 HZ3 LYS 63 HZ3 LYS 63 16.085 -11.020 4.998 506 H GLU 64 H GLU 64 9.436 -8.046 1.799 507 HA GLU 64 HA GLU 64 7.542 -9.071 2.562 508 HB2 GLU 64 HB2 GLU 64 9.729 -10.671 3.949 509 HB3 GLU 64 HB3 GLU 64 8.055 -11.212 3.702 510 HG2 GLU 64 HG2 GLU 64 9.208 -12.162 1.890 511 HG3 GLU 64 HG3 GLU 64 8.450 -10.719 1.192 512 H SER 65 H SER 65 7.876 -6.718 4.065 513 HA SER 65 HA SER 65 7.176 -7.622 6.819 514 HB2 SER 65 HB2 SER 65 7.946 -4.903 5.682 515 HB3 SER 65 HB3 SER 65 7.395 -5.177 7.352 516 HG SER 65 HG SER 65 9.742 -6.066 6.081 517 H THR 66 H THR 66 5.207 -6.846 7.769 518 HA THR 66 HA THR 66 3.047 -6.808 5.846 519 HB THR 66 HB THR 66 3.016 -6.488 8.879 520 HG1 THR 66 HG1 THR 66 2.686 -8.756 8.805 521 HG21 THR 66 HG21 THR 66 0.905 -7.458 6.902 522 HG22 THR 66 HG22 THR 66 0.730 -7.395 8.673 523 HG23 THR 66 HG23 THR 66 0.894 -5.889 7.745 524 H LEU 67 H LEU 67 1.784 -5.143 5.196 525 HA LEU 67 HA LEU 67 2.249 -2.473 6.452 526 HB2 LEU 67 HB2 LEU 67 1.658 -3.358 3.618 527 HB3 LEU 67 HB3 LEU 67 1.146 -1.758 4.187 528 HG LEU 67 HG LEU 67 3.535 -1.372 4.971 529 HD11 LEU 67 HD11 LEU 67 3.978 -3.810 3.190 530 HD12 LEU 67 HD12 LEU 67 5.262 -2.719 3.759 531 HD13 LEU 67 HD13 LEU 67 4.345 -3.692 4.927 532 HD21 LEU 67 HD21 LEU 67 2.569 -0.361 2.932 533 HD22 LEU 67 HD22 LEU 67 4.284 -0.769 2.694 534 HD23 LEU 67 HD23 LEU 67 3.017 -1.809 2.000 535 H HIS 68 H HIS 68 0.165 -1.045 6.072 536 HA HIS 68 HA HIS 68 -2.243 -2.699 6.626 537 HB2 HIS 68 HB2 HIS 68 -1.266 -1.888 8.749 538 HB3 HIS 68 HB3 HIS 68 -1.337 -0.228 8.145 539 HD1 HIS 68 HD1 HIS 68 -4.220 -2.789 7.816 540 HD2 HIS 68 HD2 HIS 68 -3.108 0.727 9.840 541 HE1 HIS 68 HE1 HIS 68 -6.303 -1.966 9.044 542 H LEU 69 H LEU 69 -4.017 -2.075 5.496 543 HA LEU 69 HA LEU 69 -3.877 0.554 4.087 544 HB2 LEU 69 HB2 LEU 69 -3.436 -1.453 2.627 545 HB3 LEU 69 HB3 LEU 69 -5.036 -2.072 3.074 546 HG LEU 69 HG LEU 69 -5.958 0.189 2.208 547 HD11 LEU 69 HD11 LEU 69 -3.230 0.178 0.848 548 HD12 LEU 69 HD12 LEU 69 -4.550 1.332 0.555 549 HD13 LEU 69 HD13 LEU 69 -3.718 1.312 2.127 550 HD21 LEU 69 HD21 LEU 69 -5.953 -0.629 -0.122 551 HD22 LEU 69 HD22 LEU 69 -4.629 -1.753 0.273 552 HD23 LEU 69 HD23 LEU 69 -6.229 -1.958 1.025 553 H ALA 70 H ALA 70 -5.824 1.679 3.870 554 HA ALA 70 HA ALA 70 -8.184 0.522 5.272 555 HB1 ALA 70 HB1 ALA 70 -8.695 2.800 6.078 556 HB2 ALA 70 HB2 ALA 70 -7.120 2.242 6.688 557 HB3 ALA 70 HB3 ALA 70 -7.192 3.402 5.339 558 H LEU 71 H LEU 71 -10.196 0.942 4.269 559 HA LEU 71 HA LEU 71 -9.931 2.059 1.512 560 HB2 LEU 71 HB2 LEU 71 -11.650 -0.207 2.602 561 HB3 LEU 71 HB3 LEU 71 -11.862 0.518 1.003 562 HG LEU 71 HG LEU 71 -10.583 -1.425 0.641 563 HD11 LEU 71 HD11 LEU 71 -9.753 0.643 -0.504 564 HD12 LEU 71 HD12 LEU 71 -8.551 0.836 0.793 565 HD13 LEU 71 HD13 LEU 71 -8.493 -0.589 -0.266 566 HD21 LEU 71 HD21 LEU 71 -9.900 -1.773 3.019 567 HD22 LEU 71 HD22 LEU 71 -8.586 -2.047 1.853 568 HD23 LEU 71 HD23 LEU 71 -8.629 -0.547 2.799 569 H ARG 72 H ARG 72 -12.208 2.627 0.632 570 HA ARG 72 HA ARG 72 -13.231 4.778 2.233 571 HB2 ARG 72 HB2 ARG 72 -14.832 5.001 0.332 572 HB3 ARG 72 HB3 ARG 72 -13.143 4.900 -0.213 573 HG2 ARG 72 HG2 ARG 72 -13.388 2.611 -0.871 574 HG3 ARG 72 HG3 ARG 72 -14.944 2.452 -0.026 575 HD2 ARG 72 HD2 ARG 72 -14.497 4.375 -2.334 576 HD3 ARG 72 HD3 ARG 72 -15.099 2.718 -2.547 577 HE ARG 72 HE ARG 72 -16.794 3.706 -0.657 578 HH11 ARG 72 HH11 ARG 72 -15.722 4.880 -3.816 579 HH12 ARG 72 HH12 ARG 72 -17.236 5.673 -4.188 580 HH21 ARG 72 HH21 ARG 72 -18.784 4.749 -1.141 581 HH22 ARG 72 HH22 ARG 72 -18.981 5.619 -2.645 582 H LEU 73 H LEU 73 -15.654 5.049 2.525 583 HA LEU 73 HA LEU 73 -16.736 2.812 4.043 584 HB2 LEU 73 HB2 LEU 73 -17.895 5.497 3.187 585 HB3 LEU 73 HB3 LEU 73 -18.674 4.371 4.316 586 HG LEU 73 HG LEU 73 -15.914 5.594 4.743 587 HD11 LEU 73 HD11 LEU 73 -17.049 7.031 6.397 588 HD12 LEU 73 HD12 LEU 73 -17.715 7.295 4.769 589 HD13 LEU 73 HD13 LEU 73 -18.618 6.318 5.950 590 HD21 LEU 73 HD21 LEU 73 -16.279 4.781 7.074 591 HD22 LEU 73 HD22 LEU 73 -17.798 4.018 6.553 592 HD23 LEU 73 HD23 LEU 73 -16.244 3.445 5.902 593 H ARG 74 H ARG 74 -19.052 2.066 3.558 594 HA ARG 74 HA ARG 74 -19.256 1.288 0.752 595 HB2 ARG 74 HB2 ARG 74 -19.882 -0.216 2.660 596 HB3 ARG 74 HB3 ARG 74 -21.226 0.884 3.045 597 HG2 ARG 74 HG2 ARG 74 -22.251 0.475 0.877 598 HG3 ARG 74 HG3 ARG 74 -20.809 -0.402 0.313 599 HD2 ARG 74 HD2 ARG 74 -22.514 -2.019 0.920 600 HD3 ARG 74 HD3 ARG 74 -21.192 -2.106 2.100 601 HE ARG 74 HE ARG 74 -23.503 -0.381 2.746 602 HH11 ARG 74 HH11 ARG 74 -21.895 -3.513 3.093 603 HH12 ARG 74 HH12 ARG 74 -22.750 -3.947 4.553 604 HH21 ARG 74 HH21 ARG 74 -24.694 -0.987 4.614 605 HH22 ARG 74 HH22 ARG 74 -24.356 -2.495 5.437 606 H GLY 75 H GLY 75 -20.694 3.635 2.982 607 HA2 GLY 75 HA2 GLY 75 -21.678 5.663 2.365 608 HA3 GLY 75 HA3 GLY 75 -21.842 5.080 0.695 609 H GLY 76 H GLY 76 -22.886 2.554 2.522 610 HA2 GLY 76 HA2 GLY 76 -25.314 3.110 3.677 611 HA3 GLY 76 HA3 GLY 76 -25.676 3.040 1.937 Start of MODEL 14 1 H1 MET 1 H MET 1 11.623 -8.598 -0.709 2 HA MET 1 HA MET 1 12.296 -7.734 -3.460 3 HB2 MET 1 HB2 MET 1 13.019 -10.058 -2.934 4 HB3 MET 1 HB3 MET 1 11.333 -10.468 -2.541 5 HG2 MET 1 HG2 MET 1 10.647 -9.827 -4.825 6 HG3 MET 1 HG3 MET 1 12.315 -9.383 -5.210 7 HE1 MET 1 HE1 MET 1 11.709 -12.537 -7.419 8 HE2 MET 1 HE2 MET 1 10.542 -11.261 -6.996 9 HE3 MET 1 HE3 MET 1 12.227 -10.835 -7.377 10 H GLN 2 H GLN 2 9.711 -9.100 -1.341 11 HA GLN 2 HA GLN 2 7.748 -7.509 -2.926 12 HB2 GLN 2 HB2 GLN 2 7.578 -10.391 -1.964 13 HB3 GLN 2 HB3 GLN 2 6.156 -9.439 -2.446 14 HG2 GLN 2 HG2 GLN 2 7.195 -9.024 -4.664 15 HG3 GLN 2 HG3 GLN 2 8.575 -10.036 -4.195 16 HE21 GLN 2 HE21 GLN 2 5.891 -11.966 -6.148 17 HE22 GLN 2 HE22 GLN 2 6.695 -10.435 -6.428 18 H ILE 3 H ILE 3 5.562 -7.545 -1.557 19 HA ILE 3 HA ILE 3 6.153 -7.339 1.333 20 HB ILE 3 HB ILE 3 5.024 -5.149 1.450 21 HG12 ILE 3 HG12 ILE 3 5.108 -5.234 -1.601 22 HG13 ILE 3 HG13 ILE 3 3.650 -5.419 -0.601 23 HG21 ILE 3 HG21 ILE 3 6.844 -3.806 0.486 24 HG22 ILE 3 HG22 ILE 3 7.495 -5.276 1.244 25 HG23 ILE 3 HG23 ILE 3 7.343 -5.179 -0.526 26 HD11 ILE 3 HD11 ILE 3 4.549 -3.126 0.467 27 HD12 ILE 3 HD12 ILE 3 5.297 -2.973 -1.130 28 HD13 ILE 3 HD13 ILE 3 3.531 -3.145 -1.003 29 H PHE 4 H PHE 4 3.913 -6.800 2.475 30 HA PHE 4 HA PHE 4 1.768 -8.304 1.059 31 HB2 PHE 4 HB2 PHE 4 2.740 -8.623 3.918 32 HB3 PHE 4 HB3 PHE 4 1.240 -9.318 3.291 33 HD1 PHE 4 HD1 PHE 4 1.249 -11.209 1.774 34 HD2 PHE 4 HD2 PHE 4 4.927 -9.482 3.176 35 HE1 PHE 4 HE1 PHE 4 2.495 -13.182 0.935 36 HE2 PHE 4 HE2 PHE 4 6.172 -11.454 2.330 37 HZ PHE 4 HZ PHE 4 4.958 -13.299 1.204 38 H VAL 5 H VAL 5 0.274 -6.775 0.661 39 HA VAL 5 HA VAL 5 -0.236 -4.681 2.690 40 HB VAL 5 HB VAL 5 -1.175 -5.101 -0.180 41 HG11 VAL 5 HG11 VAL 5 -2.111 -2.794 0.060 42 HG12 VAL 5 HG12 VAL 5 -2.923 -3.973 1.113 43 HG13 VAL 5 HG13 VAL 5 -1.727 -2.848 1.795 44 HG21 VAL 5 HG21 VAL 5 0.226 -3.102 -0.610 45 HG22 VAL 5 HG22 VAL 5 0.711 -3.075 1.101 46 HG23 VAL 5 HG23 VAL 5 1.195 -4.434 0.059 47 H LYS 6 H LYS 6 -1.839 -4.970 4.145 48 HA LYS 6 HA LYS 6 -3.897 -7.019 3.502 49 HB2 LYS 6 HB2 LYS 6 -2.434 -7.363 5.529 50 HB3 LYS 6 HB3 LYS 6 -3.132 -5.879 6.217 51 HG2 LYS 6 HG2 LYS 6 -5.400 -6.877 6.043 52 HG3 LYS 6 HG3 LYS 6 -4.692 -8.351 5.342 53 HD2 LYS 6 HD2 LYS 6 -3.327 -8.640 7.418 54 HD3 LYS 6 HD3 LYS 6 -4.147 -7.225 8.122 55 HE2 LYS 6 HE2 LYS 6 -6.335 -8.374 7.832 56 HE3 LYS 6 HE3 LYS 6 -5.491 -9.790 7.171 57 HZ1 LYS 6 HZ1 LYS 6 -4.322 -9.961 9.267 58 HZ2 LYS 6 HZ2 LYS 6 -5.176 -8.688 9.875 59 HZ3 LYS 6 HZ3 LYS 6 -5.953 -10.086 9.473 60 H THR 7 H THR 7 -5.730 -6.136 2.737 61 HA THR 7 HA THR 7 -6.353 -3.359 2.996 62 HB THR 7 HB THR 7 -8.482 -4.000 1.963 63 HG1 THR 7 HG1 THR 7 -8.992 -6.160 1.752 64 HG21 THR 7 HG21 THR 7 -7.604 -5.129 -0.047 65 HG22 THR 7 HG22 THR 7 -6.451 -3.905 0.531 66 HG23 THR 7 HG23 THR 7 -6.153 -5.630 0.852 67 H ALA 8 H ALA 8 -8.590 -2.670 3.890 68 HA ALA 8 HA ALA 8 -8.691 -3.366 6.699 69 HB1 ALA 8 HB1 ALA 8 -10.580 -1.777 6.731 70 HB2 ALA 8 HB2 ALA 8 -9.184 -1.093 5.868 71 HB3 ALA 8 HB3 ALA 8 -10.573 -1.726 4.952 72 H THR 9 H THR 9 -9.814 -4.878 3.879 73 HA THR 9 HA THR 9 -12.210 -5.998 5.200 74 HB THR 9 HB THR 9 -12.645 -6.990 2.969 75 HG1 THR 9 HG1 THR 9 -11.283 -6.284 1.262 76 HG21 THR 9 HG21 THR 9 -11.992 -4.011 2.918 77 HG22 THR 9 HG22 THR 9 -13.103 -4.855 1.816 78 HG23 THR 9 HG23 THR 9 -13.493 -4.733 3.547 79 H GLY 10 H GLY 10 -8.910 -6.577 5.084 80 HA2 GLY 10 HA2 GLY 10 -7.951 -8.330 6.316 81 HA3 GLY 10 HA3 GLY 10 -9.390 -9.324 6.036 82 H LYS 11 H LYS 11 -8.611 -7.961 3.056 83 HA LYS 11 HA LYS 11 -7.699 -10.489 2.025 84 HB2 LYS 11 HB2 LYS 11 -7.766 -7.689 0.831 85 HB3 LYS 11 HB3 LYS 11 -7.271 -9.139 -0.057 86 HG2 LYS 11 HG2 LYS 11 -9.502 -10.170 0.492 87 HG3 LYS 11 HG3 LYS 11 -10.004 -8.595 1.161 88 HD2 LYS 11 HD2 LYS 11 -9.543 -7.514 -1.007 89 HD3 LYS 11 HD3 LYS 11 -8.945 -9.053 -1.664 90 HE2 LYS 11 HE2 LYS 11 -11.203 -10.056 -1.244 91 HE3 LYS 11 HE3 LYS 11 -11.782 -8.454 -0.741 92 HZ1 LYS 11 HZ1 LYS 11 -10.683 -9.149 -3.377 93 HZ2 LYS 11 HZ2 LYS 11 -12.271 -8.872 -3.029 94 HZ3 LYS 11 HZ3 LYS 11 -11.175 -7.644 -2.922 95 H THR 12 H THR 12 -5.709 -11.319 2.354 96 HA THR 12 HA THR 12 -3.380 -9.586 2.761 97 HB THR 12 HB THR 12 -3.497 -12.574 2.187 98 HG1 THR 12 HG1 THR 12 -3.481 -12.760 4.466 99 HG21 THR 12 HG21 THR 12 -1.472 -10.836 3.660 100 HG22 THR 12 HG22 THR 12 -1.347 -12.587 3.388 101 HG23 THR 12 HG23 THR 12 -1.275 -11.468 2.008 102 H ILE 13 H ILE 13 -2.322 -8.641 1.065 103 HA ILE 13 HA ILE 13 -2.543 -9.994 -1.577 104 HB ILE 13 HB ILE 13 -2.640 -6.998 -1.080 105 HG12 ILE 13 HG12 ILE 13 -4.871 -8.935 -1.836 106 HG13 ILE 13 HG13 ILE 13 -4.679 -8.152 -0.253 107 HG21 ILE 13 HG21 ILE 13 -3.197 -6.905 -3.476 108 HG22 ILE 13 HG22 ILE 13 -1.646 -7.739 -3.244 109 HG23 ILE 13 HG23 ILE 13 -3.118 -8.680 -3.579 110 HD11 ILE 13 HD11 ILE 13 -6.309 -6.911 -1.584 111 HD12 ILE 13 HD12 ILE 13 -4.847 -5.922 -1.359 112 HD13 ILE 13 HD13 ILE 13 -5.142 -6.741 -2.913 113 H THR 14 H THR 14 -0.561 -10.762 -2.008 114 HA THR 14 HA THR 14 1.861 -9.513 -1.053 115 HB THR 14 HB THR 14 1.464 -11.523 -3.307 116 HG1 THR 14 HG1 THR 14 1.975 -13.000 -1.559 117 HG21 THR 14 HG21 THR 14 3.834 -10.883 -1.497 118 HG22 THR 14 HG22 THR 14 3.789 -12.157 -2.739 119 HG23 THR 14 HG23 THR 14 3.694 -10.447 -3.217 120 H LEU 15 H LEU 15 2.801 -7.714 -1.897 121 HA LEU 15 HA LEU 15 2.001 -6.981 -4.671 122 HB2 LEU 15 HB2 LEU 15 1.208 -5.599 -2.574 123 HB3 LEU 15 HB3 LEU 15 2.869 -4.975 -2.595 124 HG LEU 15 HG LEU 15 2.517 -4.366 -5.025 125 HD11 LEU 15 HD11 LEU 15 -0.364 -5.095 -4.329 126 HD12 LEU 15 HD12 LEU 15 0.139 -4.222 -5.794 127 HD13 LEU 15 HD13 LEU 15 0.663 -5.899 -5.540 128 HD21 LEU 15 HD21 LEU 15 1.770 -3.045 -2.687 129 HD22 LEU 15 HD22 LEU 15 1.905 -2.306 -4.307 130 HD23 LEU 15 HD23 LEU 15 0.335 -2.894 -3.713 131 H GLU 16 H GLU 16 3.593 -5.839 -5.941 132 HA GLU 16 HA GLU 16 6.386 -6.085 -4.978 133 HB2 GLU 16 HB2 GLU 16 5.761 -8.111 -6.301 134 HB3 GLU 16 HB3 GLU 16 5.370 -7.060 -7.677 135 HG2 GLU 16 HG2 GLU 16 7.683 -6.244 -7.745 136 HG3 GLU 16 HG3 GLU 16 8.083 -7.192 -6.297 137 H VAL 17 H VAL 17 6.668 -3.864 -4.792 138 HA VAL 17 HA VAL 17 5.905 -2.224 -7.154 139 HB VAL 17 HB VAL 17 6.048 -0.324 -5.564 140 HG11 VAL 17 HG11 VAL 17 4.078 -0.951 -4.193 141 HG12 VAL 17 HG12 VAL 17 3.903 -1.480 -5.881 142 HG13 VAL 17 HG13 VAL 17 4.333 -2.659 -4.618 143 HG21 VAL 17 HG21 VAL 17 7.756 -1.280 -4.045 144 HG22 VAL 17 HG22 VAL 17 6.303 -0.783 -3.151 145 HG23 VAL 17 HG23 VAL 17 6.584 -2.504 -3.499 146 H GLU 18 H GLU 18 7.366 -0.373 -7.643 147 HA GLU 18 HA GLU 18 10.136 -1.265 -7.804 148 HB2 GLU 18 HB2 GLU 18 8.563 1.131 -8.782 149 HB3 GLU 18 HB3 GLU 18 10.328 1.024 -8.965 150 HG2 GLU 18 HG2 GLU 18 9.121 0.215 -10.986 151 HG3 GLU 18 HG3 GLU 18 10.121 -1.043 -10.240 152 HA PRO 19 HA PRO 19 11.302 0.365 -3.944 153 HB2 PRO 19 HB2 PRO 19 13.955 0.832 -5.270 154 HB3 PRO 19 HB3 PRO 19 13.589 -0.026 -3.738 155 HG2 PRO 19 HG2 PRO 19 14.148 -1.378 -6.043 156 HG3 PRO 19 HG3 PRO 19 12.928 -1.975 -4.872 157 HD2 PRO 19 HD2 PRO 19 12.500 -0.605 -7.508 158 HD3 PRO 19 HD3 PRO 19 11.513 -1.859 -6.695 159 H SER 20 H SER 20 11.747 2.299 -6.885 160 HA SER 20 HA SER 20 12.091 4.701 -5.149 161 HB2 SER 20 HB2 SER 20 13.274 4.132 -7.890 162 HB3 SER 20 HB3 SER 20 13.521 5.607 -6.926 163 HG SER 20 HG SER 20 15.213 4.100 -6.646 164 H ASP 21 H ASP 21 9.638 3.369 -6.578 165 HA ASP 21 HA ASP 21 8.950 5.498 -8.510 166 HB2 ASP 21 HB2 ASP 21 7.797 2.831 -7.725 167 HB3 ASP 21 HB3 ASP 21 6.762 4.037 -8.515 168 H THR 22 H THR 22 9.027 5.333 -5.260 169 HA THR 22 HA THR 22 8.156 6.691 -3.670 170 HB THR 22 HB THR 22 6.202 7.734 -5.757 171 HG1 THR 22 HG1 THR 22 8.334 7.961 -6.467 172 HG21 THR 22 HG21 THR 22 6.308 9.771 -4.321 173 HG22 THR 22 HG22 THR 22 5.645 8.369 -3.456 174 HG23 THR 22 HG23 THR 22 7.327 8.879 -3.167 175 H ILE 23 H ILE 23 6.251 6.862 -2.267 176 HA ILE 23 HA ILE 23 4.960 4.422 -1.839 177 HB ILE 23 HB ILE 23 4.240 7.266 -1.039 178 HG12 ILE 23 HG12 ILE 23 6.432 6.324 -0.252 179 HG13 ILE 23 HG13 ILE 23 5.305 6.716 1.058 180 HG21 ILE 23 HG21 ILE 23 3.112 4.625 -0.019 181 HG22 ILE 23 HG22 ILE 23 2.855 6.212 0.745 182 HG23 ILE 23 HG23 ILE 23 2.222 5.899 -0.885 183 HD11 ILE 23 HD11 ILE 23 6.435 4.523 1.400 184 HD12 ILE 23 HD12 ILE 23 4.671 4.362 1.281 185 HD13 ILE 23 HD13 ILE 23 5.700 3.927 -0.104 186 H GLU 24 H GLU 24 4.045 7.079 -4.000 187 HA GLU 24 HA GLU 24 1.305 6.549 -4.214 188 HB2 GLU 24 HB2 GLU 24 2.519 8.498 -5.182 189 HB3 GLU 24 HB3 GLU 24 3.192 7.427 -6.434 190 HG2 GLU 24 HG2 GLU 24 0.945 6.889 -7.234 191 HG3 GLU 24 HG3 GLU 24 0.215 7.806 -5.900 192 H ASN 25 H ASN 25 4.082 4.791 -5.533 193 HA ASN 25 HA ASN 25 2.594 3.280 -7.466 194 HB2 ASN 25 HB2 ASN 25 5.088 3.674 -7.406 195 HB3 ASN 25 HB3 ASN 25 5.180 2.535 -6.050 196 HD21 ASN 25 HD21 ASN 25 5.950 0.434 -8.941 197 HD22 ASN 25 HD22 ASN 25 6.690 1.598 -7.866 198 H VAL 26 H VAL 26 3.213 2.969 -3.988 199 HA VAL 26 HA VAL 26 2.499 0.210 -3.760 200 HB VAL 26 HB VAL 26 2.289 2.459 -1.717 201 HG11 VAL 26 HG11 VAL 26 1.049 0.427 -1.058 202 HG12 VAL 26 HG12 VAL 26 2.479 -0.570 -1.414 203 HG13 VAL 26 HG13 VAL 26 2.522 0.605 -0.079 204 HG21 VAL 26 HG21 VAL 26 4.555 2.263 -2.676 205 HG22 VAL 26 HG22 VAL 26 4.526 1.674 -0.998 206 HG23 VAL 26 HG23 VAL 26 4.549 0.514 -2.347 207 H LYS 27 H LYS 27 0.687 3.139 -4.273 208 HA LYS 27 HA LYS 27 -1.866 1.876 -3.475 209 HB2 LYS 27 HB2 LYS 27 -1.198 4.613 -4.623 210 HB3 LYS 27 HB3 LYS 27 -2.824 4.068 -4.154 211 HG2 LYS 27 HG2 LYS 27 -1.984 3.660 -1.835 212 HG3 LYS 27 HG3 LYS 27 -0.405 4.325 -2.314 213 HD2 LYS 27 HD2 LYS 27 -3.064 5.815 -2.473 214 HD3 LYS 27 HD3 LYS 27 -1.851 6.018 -1.188 215 HE2 LYS 27 HE2 LYS 27 -0.179 6.710 -2.880 216 HE3 LYS 27 HE3 LYS 27 -1.399 6.531 -4.158 217 HZ1 LYS 27 HZ1 LYS 27 -1.584 8.375 -1.878 218 HZ2 LYS 27 HZ2 LYS 27 -1.172 8.795 -3.418 219 HZ3 LYS 27 HZ3 LYS 27 -2.686 8.225 -3.095 220 H ALA 28 H ALA 28 0.104 2.556 -6.334 221 HA ALA 28 HA ALA 28 -2.111 2.542 -8.160 222 HB1 ALA 28 HB1 ALA 28 -0.024 3.797 -8.537 223 HB2 ALA 28 HB2 ALA 28 0.879 2.266 -8.645 224 HB3 ALA 28 HB3 ALA 28 -0.348 2.663 -9.871 225 H LYS 29 H LYS 29 0.282 0.029 -7.181 226 HA LYS 29 HA LYS 29 -0.374 -1.729 -9.332 227 HB2 LYS 29 HB2 LYS 29 0.761 -2.349 -6.578 228 HB3 LYS 29 HB3 LYS 29 0.788 -3.442 -7.972 229 HG2 LYS 29 HG2 LYS 29 2.063 -0.676 -7.968 230 HG3 LYS 29 HG3 LYS 29 2.934 -2.171 -7.571 231 HD2 LYS 29 HD2 LYS 29 2.366 -3.100 -9.803 232 HD3 LYS 29 HD3 LYS 29 1.530 -1.580 -10.201 233 HE2 LYS 29 HE2 LYS 29 3.519 -0.850 -10.977 234 HE3 LYS 29 HE3 LYS 29 3.991 -0.696 -9.274 235 HZ1 LYS 29 HZ1 LYS 29 5.575 -1.968 -10.490 236 HZ2 LYS 29 HZ2 LYS 29 4.827 -2.951 -9.399 237 HZ3 LYS 29 HZ3 LYS 29 4.426 -3.039 -10.997 238 H ILE 30 H ILE 30 -2.036 -0.960 -6.354 239 HA ILE 30 HA ILE 30 -3.568 -3.472 -6.410 240 HB ILE 30 HB ILE 30 -3.596 -1.030 -4.598 241 HG12 ILE 30 HG12 ILE 30 -2.819 -3.933 -4.080 242 HG13 ILE 30 HG13 ILE 30 -1.657 -2.668 -4.522 243 HG21 ILE 30 HG21 ILE 30 -5.212 -3.615 -4.429 244 HG22 ILE 30 HG22 ILE 30 -5.138 -2.361 -3.168 245 HG23 ILE 30 HG23 ILE 30 -5.870 -1.990 -4.742 246 HD11 ILE 30 HD11 ILE 30 -2.366 -1.342 -2.536 247 HD12 ILE 30 HD12 ILE 30 -3.456 -2.667 -2.065 248 HD13 ILE 30 HD13 ILE 30 -1.698 -2.930 -2.093 249 H GLN 31 H GLN 31 -3.776 -0.189 -7.627 250 HA GLN 31 HA GLN 31 -6.616 -0.040 -7.893 251 HB2 GLN 31 HB2 GLN 31 -5.087 1.889 -8.185 252 HB3 GLN 31 HB3 GLN 31 -4.406 1.126 -9.641 253 HG2 GLN 31 HG2 GLN 31 -6.624 1.177 -10.719 254 HG3 GLN 31 HG3 GLN 31 -7.330 1.894 -9.257 255 HE21 GLN 31 HE21 GLN 31 -6.868 4.856 -11.277 256 HE22 GLN 31 HE22 GLN 31 -7.973 3.529 -11.012 257 H ASP 32 H ASP 32 -4.035 -1.666 -9.664 258 HA ASP 32 HA ASP 32 -5.705 -2.416 -11.923 259 HB2 ASP 32 HB2 ASP 32 -3.249 -2.038 -12.068 260 HB3 ASP 32 HB3 ASP 32 -2.989 -3.418 -10.984 261 H LYS 33 H LYS 33 -4.940 -3.683 -8.730 262 HA LYS 33 HA LYS 33 -5.739 -6.397 -9.519 263 HB2 LYS 33 HB2 LYS 33 -3.709 -5.855 -8.091 264 HB3 LYS 33 HB3 LYS 33 -4.835 -5.380 -6.802 265 HG2 LYS 33 HG2 LYS 33 -4.172 -7.691 -6.443 266 HG3 LYS 33 HG3 LYS 33 -5.874 -7.678 -6.958 267 HD2 LYS 33 HD2 LYS 33 -5.229 -8.260 -9.244 268 HD3 LYS 33 HD3 LYS 33 -3.506 -8.102 -8.832 269 HE2 LYS 33 HE2 LYS 33 -3.714 -9.957 -7.221 270 HE3 LYS 33 HE3 LYS 33 -5.441 -10.108 -7.605 271 HZ1 LYS 33 HZ1 LYS 33 -4.112 -11.687 -8.802 272 HZ2 LYS 33 HZ2 LYS 33 -4.837 -10.639 -9.849 273 HZ3 LYS 33 HZ3 LYS 33 -3.232 -10.481 -9.506 274 H GLU 34 H GLU 34 -6.597 -4.152 -6.801 275 HA GLU 34 HA GLU 34 -9.040 -5.698 -6.348 276 HB2 GLU 34 HB2 GLU 34 -7.507 -4.760 -4.547 277 HB3 GLU 34 HB3 GLU 34 -8.107 -3.147 -4.982 278 HG2 GLU 34 HG2 GLU 34 -9.344 -4.092 -3.060 279 HG3 GLU 34 HG3 GLU 34 -10.413 -3.860 -4.455 280 H GLY 35 H GLY 35 -8.050 -2.963 -8.202 281 HA2 GLY 35 HA2 GLY 35 -9.319 -1.838 -9.773 282 HA3 GLY 35 HA3 GLY 35 -10.780 -2.611 -9.136 283 H ILE 36 H ILE 36 -9.318 -1.409 -6.419 284 HA ILE 36 HA ILE 36 -11.234 0.725 -6.195 285 HB ILE 36 HB ILE 36 -8.826 0.034 -4.466 286 HG12 ILE 36 HG12 ILE 36 -11.762 -0.754 -4.224 287 HG13 ILE 36 HG13 ILE 36 -10.471 -1.822 -4.809 288 HG21 ILE 36 HG21 ILE 36 -10.206 1.240 -2.719 289 HG22 ILE 36 HG22 ILE 36 -9.626 2.297 -4.026 290 HG23 ILE 36 HG23 ILE 36 -11.315 1.738 -4.011 291 HD11 ILE 36 HD11 ILE 36 -10.652 -0.566 -2.040 292 HD12 ILE 36 HD12 ILE 36 -10.885 -2.278 -2.449 293 HD13 ILE 36 HD13 ILE 36 -9.280 -1.534 -2.632 294 HA PRO 37 HA PRO 37 -8.752 3.703 -8.400 295 HB2 PRO 37 HB2 PRO 37 -10.733 5.604 -7.223 296 HB3 PRO 37 HB3 PRO 37 -10.266 5.377 -8.939 297 HG2 PRO 37 HG2 PRO 37 -12.657 4.468 -7.943 298 HG3 PRO 37 HG3 PRO 37 -11.751 3.582 -9.213 299 HD2 PRO 37 HD2 PRO 37 -11.938 2.997 -6.269 300 HD3 PRO 37 HD3 PRO 37 -11.841 1.866 -7.653 301 HA PRO 38 HA PRO 38 -6.225 5.642 -5.375 302 HB2 PRO 38 HB2 PRO 38 -6.508 8.270 -6.760 303 HB3 PRO 38 HB3 PRO 38 -5.023 7.325 -6.424 304 HG2 PRO 38 HG2 PRO 38 -6.127 7.490 -8.937 305 HG3 PRO 38 HG3 PRO 38 -5.302 6.011 -8.344 306 HD2 PRO 38 HD2 PRO 38 -8.246 6.568 -8.583 307 HD3 PRO 38 HD3 PRO 38 -7.350 5.035 -8.820 308 H ASP 39 H ASP 39 -6.107 7.438 -3.756 309 HA ASP 39 HA ASP 39 -6.923 8.866 -2.216 310 HB2 ASP 39 HB2 ASP 39 -7.780 10.093 -4.248 311 HB3 ASP 39 HB3 ASP 39 -9.343 9.288 -3.993 312 H GLN 40 H GLN 40 -9.354 6.592 -3.548 313 HA GLN 40 HA GLN 40 -11.005 6.594 -1.210 314 HB2 GLN 40 HB2 GLN 40 -10.608 4.610 -3.482 315 HB3 GLN 40 HB3 GLN 40 -11.835 4.417 -2.207 316 HG2 GLN 40 HG2 GLN 40 -12.808 6.606 -2.786 317 HG3 GLN 40 HG3 GLN 40 -11.577 6.834 -4.043 318 HE21 GLN 40 HE21 GLN 40 -13.636 5.355 -6.453 319 HE22 GLN 40 HE22 GLN 40 -12.499 6.607 -6.005 320 H GLN 41 H GLN 41 -7.885 5.284 -1.900 321 HA GLN 41 HA GLN 41 -8.085 3.554 0.514 322 HB2 GLN 41 HB2 GLN 41 -6.303 2.207 -0.456 323 HB3 GLN 41 HB3 GLN 41 -7.638 2.346 -1.621 324 HG2 GLN 41 HG2 GLN 41 -6.419 4.211 -2.749 325 HG3 GLN 41 HG3 GLN 41 -5.070 3.990 -1.617 326 HE21 GLN 41 HE21 GLN 41 -5.376 1.685 -4.939 327 HE22 GLN 41 HE22 GLN 41 -6.436 3.036 -4.609 328 H ARG 42 H ARG 42 -6.118 3.480 1.867 329 HA ARG 42 HA ARG 42 -4.145 5.605 1.455 330 HB2 ARG 42 HB2 ARG 42 -6.433 5.957 3.194 331 HB3 ARG 42 HB3 ARG 42 -4.935 5.928 4.157 332 HG2 ARG 42 HG2 ARG 42 -3.941 7.668 2.817 333 HG3 ARG 42 HG3 ARG 42 -5.253 7.583 1.620 334 HD2 ARG 42 HD2 ARG 42 -5.666 8.344 4.535 335 HD3 ARG 42 HD3 ARG 42 -5.430 9.517 3.223 336 HE ARG 42 HE ARG 42 -7.514 7.763 2.460 337 HH11 ARG 42 HH11 ARG 42 -6.806 10.287 4.827 338 HH12 ARG 42 HH12 ARG 42 -8.455 10.859 4.921 339 HH21 ARG 42 HH21 ARG 42 -9.686 8.512 2.571 340 HH22 ARG 42 HH22 ARG 42 -10.107 9.837 3.632 341 H LEU 43 H LEU 43 -2.218 5.170 2.455 342 HA LEU 43 HA LEU 43 -1.972 2.394 3.407 343 HB2 LEU 43 HB2 LEU 43 -0.132 4.513 2.258 344 HB3 LEU 43 HB3 LEU 43 0.520 3.051 3.027 345 HG LEU 43 HG LEU 43 -1.532 2.966 0.785 346 HD11 LEU 43 HD11 LEU 43 0.357 2.440 -0.695 347 HD12 LEU 43 HD12 LEU 43 0.578 4.044 0.037 348 HD13 LEU 43 HD13 LEU 43 1.498 2.652 0.656 349 HD21 LEU 43 HD21 LEU 43 -0.712 0.617 0.612 350 HD22 LEU 43 HD22 LEU 43 0.354 0.900 2.007 351 HD23 LEU 43 HD23 LEU 43 -1.414 0.955 2.209 352 H ALA 44 H ALA 44 -0.594 1.824 5.177 353 HA ALA 44 HA ALA 44 0.474 3.869 6.932 354 HB1 ALA 44 HB1 ALA 44 -1.817 2.097 7.877 355 HB2 ALA 44 HB2 ALA 44 -0.837 3.165 8.910 356 HB3 ALA 44 HB3 ALA 44 -1.891 3.861 7.656 357 H PHE 45 H PHE 45 1.572 2.785 8.844 358 HA PHE 45 HA PHE 45 2.106 -0.090 8.472 359 HB2 PHE 45 HB2 PHE 45 3.778 1.245 7.124 360 HB3 PHE 45 HB3 PHE 45 4.337 1.965 8.639 361 HD1 PHE 45 HD1 PHE 45 5.040 0.239 10.521 362 HD2 PHE 45 HD2 PHE 45 4.769 -0.708 6.339 363 HE1 PHE 45 HE1 PHE 45 6.534 -1.709 10.863 364 HE2 PHE 45 HE2 PHE 45 6.267 -2.652 6.681 365 HZ PHE 45 HZ PHE 45 7.152 -3.153 8.944 366 H ALA 46 H ALA 46 1.606 -0.895 10.437 367 HA ALA 46 HA ALA 46 1.390 -1.091 12.693 368 HB1 ALA 46 HB1 ALA 46 3.836 -1.323 12.508 369 HB2 ALA 46 HB2 ALA 46 4.019 0.439 12.698 370 HB3 ALA 46 HB3 ALA 46 3.368 -0.538 14.035 371 H GLY 47 H GLY 47 0.423 1.444 11.244 372 HA2 GLY 47 HA2 GLY 47 -1.174 2.891 12.252 373 HA3 GLY 47 HA3 GLY 47 -0.197 2.934 13.732 374 H LYS 48 H LYS 48 2.207 3.179 11.633 375 HA LYS 48 HA LYS 48 2.300 6.088 11.773 376 HB2 LYS 48 HB2 LYS 48 4.168 4.091 10.426 377 HB3 LYS 48 HB3 LYS 48 4.523 5.797 10.779 378 HG2 LYS 48 HG2 LYS 48 4.256 5.352 13.203 379 HG3 LYS 48 HG3 LYS 48 3.904 3.644 12.851 380 HD2 LYS 48 HD2 LYS 48 6.133 3.395 11.805 381 HD3 LYS 48 HD3 LYS 48 6.489 5.103 12.156 382 HE2 LYS 48 HE2 LYS 48 6.214 4.663 14.575 383 HE3 LYS 48 HE3 LYS 48 5.848 2.961 14.227 384 HZ1 LYS 48 HZ1 LYS 48 8.126 3.254 14.840 385 HZ2 LYS 48 HZ2 LYS 48 8.033 2.760 13.270 386 HZ3 LYS 48 HZ3 LYS 48 8.372 4.336 13.620 387 H GLN 49 H GLN 49 1.486 7.437 10.253 388 HA GLN 49 HA GLN 49 0.295 6.379 7.852 389 HB2 GLN 49 HB2 GLN 49 -0.157 8.760 7.351 390 HB3 GLN 49 HB3 GLN 49 -0.635 8.330 9.005 391 HG2 GLN 49 HG2 GLN 49 1.464 9.295 9.876 392 HG3 GLN 49 HG3 GLN 49 1.973 9.700 8.223 393 HE21 GLN 49 HE21 GLN 49 -0.074 12.425 10.235 394 HE22 GLN 49 HE22 GLN 49 0.940 11.166 10.902 395 H LEU 50 H LEU 50 0.988 6.503 5.722 396 HA LEU 50 HA LEU 50 3.887 7.007 5.374 397 HB2 LEU 50 HB2 LEU 50 1.801 5.792 3.514 398 HB3 LEU 50 HB3 LEU 50 3.537 5.929 3.173 399 HG LEU 50 HG LEU 50 2.246 4.325 5.414 400 HD11 LEU 50 HD11 LEU 50 2.502 3.670 2.771 401 HD12 LEU 50 HD12 LEU 50 4.052 3.094 3.396 402 HD13 LEU 50 HD13 LEU 50 2.539 2.474 4.100 403 HD21 LEU 50 HD21 LEU 50 4.390 5.274 6.174 404 HD22 LEU 50 HD22 LEU 50 4.552 3.529 5.890 405 HD23 LEU 50 HD23 LEU 50 5.188 4.686 4.697 406 H GLU 51 H GLU 51 4.607 8.324 3.554 407 HA GLU 51 HA GLU 51 2.598 10.230 2.510 408 HB2 GLU 51 HB2 GLU 51 3.526 11.223 4.571 409 HB3 GLU 51 HB3 GLU 51 5.173 11.000 3.946 410 HG2 GLU 51 HG2 GLU 51 4.732 12.530 2.103 411 HG3 GLU 51 HG3 GLU 51 3.021 12.651 2.564 412 H ASP 52 H ASP 52 3.258 11.252 0.553 413 HA ASP 52 HA ASP 52 5.135 9.614 -0.990 414 HB2 ASP 52 HB2 ASP 52 4.232 10.863 -2.897 415 HB3 ASP 52 HB3 ASP 52 2.920 10.208 -1.899 416 H GLY 53 H GLY 53 6.685 10.702 -2.483 417 HA2 GLY 53 HA2 GLY 53 7.951 12.670 -3.054 418 HA3 GLY 53 HA3 GLY 53 7.728 13.269 -1.398 419 H ARG 54 H ARG 54 8.260 9.992 -1.068 420 HA ARG 54 HA ARG 54 11.215 10.285 -1.070 421 HB2 ARG 54 HB2 ARG 54 10.388 10.865 1.181 422 HB3 ARG 54 HB3 ARG 54 9.498 9.330 1.260 423 HG2 ARG 54 HG2 ARG 54 11.606 8.077 1.147 424 HG3 ARG 54 HG3 ARG 54 12.510 9.593 0.929 425 HD2 ARG 54 HD2 ARG 54 11.734 10.377 3.152 426 HD3 ARG 54 HD3 ARG 54 10.844 8.859 3.383 427 HE ARG 54 HE ARG 54 13.508 8.181 2.781 428 HH11 ARG 54 HH11 ARG 54 11.762 9.975 5.280 429 HH12 ARG 54 HH12 ARG 54 12.910 9.607 6.544 430 HH21 ARG 54 HH21 ARG 54 15.013 7.669 4.453 431 HH22 ARG 54 HH22 ARG 54 14.748 8.250 6.082 432 H THR 55 H THR 55 12.362 8.286 -1.074 433 HA THR 55 HA THR 55 11.269 6.203 -2.670 434 HB THR 55 HB THR 55 13.644 6.156 -0.750 435 HG1 THR 55 HG1 THR 55 14.775 6.879 -2.624 436 HG21 THR 55 HG21 THR 55 14.566 4.513 -2.303 437 HG22 THR 55 HG22 THR 55 12.966 3.964 -1.752 438 HG23 THR 55 HG23 THR 55 13.154 4.690 -3.368 439 H LEU 56 H LEU 56 9.786 4.707 -2.069 440 HA LEU 56 HA LEU 56 8.836 4.521 0.571 441 HB2 LEU 56 HB2 LEU 56 7.494 2.650 -0.254 442 HB3 LEU 56 HB3 LEU 56 7.549 3.956 -1.450 443 HG LEU 56 HG LEU 56 9.644 2.525 -2.355 444 HD11 LEU 56 HD11 LEU 56 9.414 0.788 -0.564 445 HD12 LEU 56 HD12 LEU 56 7.760 0.462 -1.125 446 HD13 LEU 56 HD13 LEU 56 9.145 0.116 -2.185 447 HD21 LEU 56 HD21 LEU 56 6.700 1.891 -2.831 448 HD22 LEU 56 HD22 LEU 56 7.640 3.163 -3.642 449 HD23 LEU 56 HD23 LEU 56 8.034 1.451 -3.922 450 H SER 57 H SER 57 11.353 2.623 -1.116 451 HA SER 57 HA SER 57 11.450 0.573 0.893 452 HB2 SER 57 HB2 SER 57 13.495 1.471 -1.177 453 HB3 SER 57 HB3 SER 57 13.571 -0.041 -0.242 454 HG SER 57 HG SER 57 12.592 -0.269 -2.329 455 H ASP 58 H ASP 58 12.725 3.817 0.678 456 HA ASP 58 HA ASP 58 14.712 3.295 2.801 457 HB2 ASP 58 HB2 ASP 58 15.262 4.699 0.801 458 HB3 ASP 58 HB3 ASP 58 14.013 5.853 1.311 459 H TYR 59 H TYR 59 11.430 4.205 2.391 460 HA TYR 59 HA TYR 59 11.298 6.032 4.629 461 HB2 TYR 59 HB2 TYR 59 9.828 5.698 2.416 462 HB3 TYR 59 HB3 TYR 59 8.859 4.707 3.508 463 HD1 TYR 59 HD1 TYR 59 8.604 7.625 2.039 464 HD2 TYR 59 HD2 TYR 59 9.116 6.209 6.063 465 HE1 TYR 59 HE1 TYR 59 7.552 9.702 2.897 466 HE2 TYR 59 HE2 TYR 59 8.042 8.266 6.931 467 HH TYR 59 HH TYR 59 7.036 10.260 6.403 468 H ASN 60 H ASN 60 9.431 2.975 4.112 469 HA ASN 60 HA ASN 60 10.109 2.115 6.854 470 HB2 ASN 60 HB2 ASN 60 7.394 3.061 5.932 471 HB3 ASN 60 HB3 ASN 60 7.522 1.758 7.129 472 HD21 ASN 60 HD21 ASN 60 7.860 5.557 8.351 473 HD22 ASN 60 HD22 ASN 60 7.257 5.077 6.782 474 H ILE 61 H ILE 61 8.866 1.528 3.609 475 HA ILE 61 HA ILE 61 7.786 -1.058 3.964 476 HB ILE 61 HB ILE 61 9.094 0.397 1.648 477 HG12 ILE 61 HG12 ILE 61 6.744 -0.038 0.732 478 HG13 ILE 61 HG13 ILE 61 6.303 -0.618 2.351 479 HG21 ILE 61 HG21 ILE 61 8.424 -1.540 0.225 480 HG22 ILE 61 HG22 ILE 61 9.718 -1.957 1.368 481 HG23 ILE 61 HG23 ILE 61 8.043 -2.462 1.698 482 HD11 ILE 61 HD11 ILE 61 5.777 1.834 1.863 483 HD12 ILE 61 HD12 ILE 61 6.763 1.553 3.321 484 HD13 ILE 61 HD13 ILE 61 7.527 2.121 1.820 485 H GLN 62 H GLN 62 8.663 -3.083 4.149 486 HA GLN 62 HA GLN 62 11.623 -3.297 3.979 487 HB2 GLN 62 HB2 GLN 62 9.785 -4.089 6.253 488 HB3 GLN 62 HB3 GLN 62 11.357 -4.886 6.002 489 HG2 GLN 62 HG2 GLN 62 12.520 -2.743 6.132 490 HG3 GLN 62 HG3 GLN 62 10.977 -1.879 6.263 491 HE21 GLN 62 HE21 GLN 62 11.513 -1.904 9.754 492 HE22 GLN 62 HE22 GLN 62 11.477 -0.953 8.285 493 H LYS 63 H LYS 63 12.289 -5.650 3.953 494 HA LYS 63 HA LYS 63 11.058 -6.882 1.726 495 HB2 LYS 63 HB2 LYS 63 12.661 -8.723 2.206 496 HB3 LYS 63 HB3 LYS 63 13.418 -7.118 2.199 497 HG2 LYS 63 HG2 LYS 63 13.253 -7.063 4.695 498 HG3 LYS 63 HG3 LYS 63 12.609 -8.721 4.660 499 HD2 LYS 63 HD2 LYS 63 14.670 -9.491 3.516 500 HD3 LYS 63 HD3 LYS 63 15.313 -7.832 3.575 501 HE2 LYS 63 HE2 LYS 63 15.151 -7.870 6.051 502 HE3 LYS 63 HE3 LYS 63 14.543 -9.537 5.980 503 HZ1 LYS 63 HZ1 LYS 63 17.169 -8.626 5.025 504 HZ2 LYS 63 HZ2 LYS 63 16.880 -9.460 6.417 505 HZ3 LYS 63 HZ3 LYS 63 16.605 -10.175 4.955 506 H GLU 64 H GLU 64 9.354 -8.149 1.543 507 HA GLU 64 HA GLU 64 7.512 -9.365 2.133 508 HB2 GLU 64 HB2 GLU 64 9.740 -10.879 3.551 509 HB3 GLU 64 HB3 GLU 64 8.120 -11.524 3.211 510 HG2 GLU 64 HG2 GLU 64 9.408 -12.297 1.403 511 HG3 GLU 64 HG3 GLU 64 8.572 -10.878 0.746 512 H SER 65 H SER 65 7.654 -7.078 3.765 513 HA SER 65 HA SER 65 6.915 -8.120 6.451 514 HB2 SER 65 HB2 SER 65 7.604 -5.335 5.433 515 HB3 SER 65 HB3 SER 65 7.039 -5.693 7.083 516 HG SER 65 HG SER 65 9.436 -6.440 5.816 517 H THR 66 H THR 66 5.028 -6.849 7.470 518 HA THR 66 HA THR 66 2.820 -6.950 5.509 519 HB THR 66 HB THR 66 2.769 -6.949 8.551 520 HG1 THR 66 HG1 THR 66 2.475 -9.194 8.244 521 HG21 THR 66 HG21 THR 66 0.685 -7.709 6.456 522 HG22 THR 66 HG22 THR 66 0.487 -7.846 8.218 523 HG23 THR 66 HG23 THR 66 0.653 -6.243 7.466 524 H LEU 67 H LEU 67 1.543 -5.238 5.038 525 HA LEU 67 HA LEU 67 2.127 -2.659 6.428 526 HB2 LEU 67 HB2 LEU 67 1.498 -3.370 3.548 527 HB3 LEU 67 HB3 LEU 67 1.101 -1.770 4.200 528 HG LEU 67 HG LEU 67 3.515 -1.588 4.981 529 HD11 LEU 67 HD11 LEU 67 3.776 -3.956 3.073 530 HD12 LEU 67 HD12 LEU 67 5.137 -2.985 3.682 531 HD13 LEU 67 HD13 LEU 67 4.166 -3.954 4.809 532 HD21 LEU 67 HD21 LEU 67 2.589 -0.415 3.011 533 HD22 LEU 67 HD22 LEU 67 4.271 -0.915 2.726 534 HD23 LEU 67 HD23 LEU 67 2.934 -1.838 1.999 535 H HIS 68 H HIS 68 0.111 -1.116 6.088 536 HA HIS 68 HA HIS 68 -2.378 -2.698 6.494 537 HB2 HIS 68 HB2 HIS 68 -1.522 -1.951 8.669 538 HB3 HIS 68 HB3 HIS 68 -1.424 -0.285 8.075 539 HD1 HIS 68 HD1 HIS 68 -4.342 -2.867 8.002 540 HD2 HIS 68 HD2 HIS 68 -3.391 1.110 8.985 541 HE1 HIS 68 HE1 HIS 68 -6.525 -1.753 8.730 542 H LEU 69 H LEU 69 -4.113 -1.993 5.360 543 HA LEU 69 HA LEU 69 -3.855 0.632 3.970 544 HB2 LEU 69 HB2 LEU 69 -3.421 -1.361 2.485 545 HB3 LEU 69 HB3 LEU 69 -5.048 -1.945 2.879 546 HG LEU 69 HG LEU 69 -5.908 0.328 2.021 547 HD11 LEU 69 HD11 LEU 69 -3.112 0.344 0.805 548 HD12 LEU 69 HD12 LEU 69 -4.413 1.506 0.459 549 HD13 LEU 69 HD13 LEU 69 -3.672 1.452 2.074 550 HD21 LEU 69 HD21 LEU 69 -5.803 -0.424 -0.328 551 HD22 LEU 69 HD22 LEU 69 -4.490 -1.552 0.086 552 HD23 LEU 69 HD23 LEU 69 -6.119 -1.791 0.763 553 H ALA 70 H ALA 70 -5.790 1.812 3.742 554 HA ALA 70 HA ALA 70 -8.168 0.672 5.132 555 HB1 ALA 70 HB1 ALA 70 -8.627 2.963 5.959 556 HB2 ALA 70 HB2 ALA 70 -7.081 2.336 6.575 557 HB3 ALA 70 HB3 ALA 70 -7.095 3.519 5.244 558 H LEU 71 H LEU 71 -10.161 1.098 4.162 559 HA LEU 71 HA LEU 71 -9.992 2.406 1.484 560 HB2 LEU 71 HB2 LEU 71 -11.566 -0.034 2.406 561 HB3 LEU 71 HB3 LEU 71 -11.859 0.812 0.881 562 HG LEU 71 HG LEU 71 -10.503 -1.029 0.323 563 HD11 LEU 71 HD11 LEU 71 -9.796 1.169 -0.653 564 HD12 LEU 71 HD12 LEU 71 -8.566 1.297 0.625 565 HD13 LEU 71 HD13 LEU 71 -8.480 -0.025 -0.557 566 HD21 LEU 71 HD21 LEU 71 -9.746 -1.542 2.648 567 HD22 LEU 71 HD22 LEU 71 -8.452 -1.661 1.435 568 HD23 LEU 71 HD23 LEU 71 -8.533 -0.248 2.503 569 H ARG 72 H ARG 72 -12.351 2.918 0.715 570 HA ARG 72 HA ARG 72 -13.439 4.837 2.565 571 HB2 ARG 72 HB2 ARG 72 -15.127 5.159 0.773 572 HB3 ARG 72 HB3 ARG 72 -13.470 5.187 0.128 573 HG2 ARG 72 HG2 ARG 72 -13.663 2.930 -0.695 574 HG3 ARG 72 HG3 ARG 72 -15.196 2.675 0.170 575 HD2 ARG 72 HD2 ARG 72 -14.801 4.760 -2.008 576 HD3 ARG 72 HD3 ARG 72 -15.462 3.137 -2.293 577 HE ARG 72 HE ARG 72 -17.056 4.062 -0.286 578 HH11 ARG 72 HH11 ARG 72 -16.048 5.405 -3.399 579 HH12 ARG 72 HH12 ARG 72 -17.531 6.302 -3.644 580 HH21 ARG 72 HH21 ARG 72 -19.014 5.237 -0.616 581 HH22 ARG 72 HH22 ARG 72 -19.222 6.201 -2.060 582 H LEU 73 H LEU 73 -15.878 4.879 2.986 583 HA LEU 73 HA LEU 73 -16.688 2.337 4.203 584 HB2 LEU 73 HB2 LEU 73 -18.067 5.047 3.975 585 HB3 LEU 73 HB3 LEU 73 -18.656 3.676 4.937 586 HG LEU 73 HG LEU 73 -15.978 5.084 5.332 587 HD11 LEU 73 HD11 LEU 73 -17.019 5.931 7.406 588 HD12 LEU 73 HD12 LEU 73 -17.926 6.471 5.973 589 HD13 LEU 73 HD13 LEU 73 -18.549 5.133 6.969 590 HD21 LEU 73 HD21 LEU 73 -15.924 3.741 7.438 591 HD22 LEU 73 HD22 LEU 73 -17.396 2.892 6.910 592 HD23 LEU 73 HD23 LEU 73 -15.883 2.716 5.987 593 H ARG 74 H ARG 74 -18.981 1.547 3.756 594 HA ARG 74 HA ARG 74 -19.299 1.175 0.894 595 HB2 ARG 74 HB2 ARG 74 -19.740 -0.617 2.542 596 HB3 ARG 74 HB3 ARG 74 -21.052 0.353 3.248 597 HG2 ARG 74 HG2 ARG 74 -22.301 0.273 1.151 598 HG3 ARG 74 HG3 ARG 74 -20.945 -0.539 0.332 599 HD2 ARG 74 HD2 ARG 74 -22.725 -2.142 1.002 600 HD3 ARG 74 HD3 ARG 74 -21.174 -2.482 1.797 601 HE ARG 74 HE ARG 74 -23.049 -0.781 3.297 602 HH11 ARG 74 HH11 ARG 74 -21.767 -4.022 2.709 603 HH12 ARG 74 HH12 ARG 74 -22.181 -4.627 4.295 604 HH21 ARG 74 HH21 ARG 74 -23.588 -1.557 5.383 605 HH22 ARG 74 HH22 ARG 74 -23.205 -3.205 5.833 606 H GLY 75 H GLY 75 -20.846 3.086 3.474 607 HA2 GLY 75 HA2 GLY 75 -21.867 5.184 3.002 608 HA3 GLY 75 HA3 GLY 75 -22.267 4.618 1.368 609 H GLY 76 H GLY 76 -22.872 2.058 3.442 610 HA2 GLY 76 HA2 GLY 76 -25.369 2.840 4.613 611 HA3 GLY 76 HA3 GLY 76 -25.627 1.981 3.077 Start of MODEL 15 1 H1 MET 1 H MET 1 11.364 -8.668 -0.581 2 HA MET 1 HA MET 1 11.901 -8.835 -3.489 3 HB2 MET 1 HB2 MET 1 12.238 -10.991 -2.378 4 HB3 MET 1 HB3 MET 1 10.629 -10.880 -1.633 5 HG2 MET 1 HG2 MET 1 9.604 -10.815 -3.880 6 HG3 MET 1 HG3 MET 1 11.203 -10.965 -4.618 7 HE1 MET 1 HE1 MET 1 9.228 -14.378 -5.227 8 HE2 MET 1 HE2 MET 1 8.467 -12.789 -4.985 9 HE3 MET 1 HE3 MET 1 9.918 -12.934 -6.005 10 H GLN 2 H GLN 2 9.141 -9.459 -1.238 11 HA GLN 2 HA GLN 2 7.501 -7.598 -2.888 12 HB2 GLN 2 HB2 GLN 2 6.892 -10.447 -2.037 13 HB3 GLN 2 HB3 GLN 2 5.610 -9.287 -2.450 14 HG2 GLN 2 HG2 GLN 2 6.589 -8.931 -4.666 15 HG3 GLN 2 HG3 GLN 2 7.928 -10.024 -4.278 16 HE21 GLN 2 HE21 GLN 2 4.889 -11.642 -6.119 17 HE22 GLN 2 HE22 GLN 2 5.544 -10.029 -6.287 18 H ILE 3 H ILE 3 5.265 -7.364 -1.607 19 HA ILE 3 HA ILE 3 5.821 -7.192 1.301 20 HB ILE 3 HB ILE 3 4.779 -4.950 1.351 21 HG12 ILE 3 HG12 ILE 3 4.951 -5.110 -1.690 22 HG13 ILE 3 HG13 ILE 3 3.450 -5.220 -0.745 23 HG21 ILE 3 HG21 ILE 3 6.702 -3.726 0.444 24 HG22 ILE 3 HG22 ILE 3 7.252 -5.234 1.207 25 HG23 ILE 3 HG23 ILE 3 7.143 -5.123 -0.566 26 HD11 ILE 3 HD11 ILE 3 5.355 -2.842 -0.822 27 HD12 ILE 3 HD12 ILE 3 3.745 -2.933 -1.568 28 HD13 ILE 3 HD13 ILE 3 3.905 -2.961 0.203 29 H PHE 4 H PHE 4 3.592 -6.549 2.416 30 HA PHE 4 HA PHE 4 1.420 -8.008 0.994 31 HB2 PHE 4 HB2 PHE 4 2.358 -8.333 3.863 32 HB3 PHE 4 HB3 PHE 4 0.848 -8.996 3.226 33 HD1 PHE 4 HD1 PHE 4 0.856 -10.836 1.595 34 HD2 PHE 4 HD2 PHE 4 4.507 -9.306 3.269 35 HE1 PHE 4 HE1 PHE 4 2.066 -12.847 0.796 36 HE2 PHE 4 HE2 PHE 4 5.715 -11.318 2.466 37 HZ PHE 4 HZ PHE 4 4.496 -13.087 1.229 38 H VAL 5 H VAL 5 -0.067 -6.500 0.588 39 HA VAL 5 HA VAL 5 -0.564 -4.355 2.564 40 HB VAL 5 HB VAL 5 -1.540 -4.864 -0.280 41 HG11 VAL 5 HG11 VAL 5 -2.474 -2.566 -0.122 42 HG12 VAL 5 HG12 VAL 5 -3.250 -3.674 1.032 43 HG13 VAL 5 HG13 VAL 5 -2.026 -2.515 1.599 44 HG21 VAL 5 HG21 VAL 5 -0.127 -2.892 -0.794 45 HG22 VAL 5 HG22 VAL 5 0.384 -2.817 0.909 46 HG23 VAL 5 HG23 VAL 5 0.839 -4.213 -0.097 47 H LYS 6 H LYS 6 -2.114 -4.671 4.074 48 HA LYS 6 HA LYS 6 -4.152 -6.760 3.520 49 HB2 LYS 6 HB2 LYS 6 -2.716 -7.061 5.509 50 HB3 LYS 6 HB3 LYS 6 -3.252 -5.485 6.134 51 HG2 LYS 6 HG2 LYS 6 -5.583 -6.291 6.204 52 HG3 LYS 6 HG3 LYS 6 -5.074 -7.856 5.523 53 HD2 LYS 6 HD2 LYS 6 -3.625 -8.249 7.478 54 HD3 LYS 6 HD3 LYS 6 -4.091 -6.671 8.154 55 HE2 LYS 6 HE2 LYS 6 -6.449 -7.402 8.247 56 HE3 LYS 6 HE3 LYS 6 -5.992 -8.975 7.559 57 HZ1 LYS 6 HZ1 LYS 6 -4.619 -9.347 9.470 58 HZ2 LYS 6 HZ2 LYS 6 -5.031 -7.883 10.111 59 HZ3 LYS 6 HZ3 LYS 6 -6.176 -9.058 9.935 60 H THR 7 H THR 7 -6.017 -6.002 2.751 61 HA THR 7 HA THR 7 -6.797 -3.244 2.954 62 HB THR 7 HB THR 7 -8.908 -4.102 1.932 63 HG1 THR 7 HG1 THR 7 -9.014 -6.332 1.537 64 HG21 THR 7 HG21 THR 7 -7.877 -4.984 -0.134 65 HG22 THR 7 HG22 THR 7 -6.936 -3.618 0.507 66 HG23 THR 7 HG23 THR 7 -6.359 -5.285 0.743 67 H ALA 8 H ALA 8 -9.092 -2.711 3.801 68 HA ALA 8 HA ALA 8 -9.166 -3.304 6.614 69 HB1 ALA 8 HB1 ALA 8 -11.199 -1.901 6.566 70 HB2 ALA 8 HB2 ALA 8 -9.867 -1.137 5.668 71 HB3 ALA 8 HB3 ALA 8 -11.187 -1.942 4.787 72 H THR 9 H THR 9 -10.147 -5.107 3.916 73 HA THR 9 HA THR 9 -12.494 -6.290 5.261 74 HB THR 9 HB THR 9 -12.678 -7.595 3.154 75 HG1 THR 9 HG1 THR 9 -11.239 -6.946 1.458 76 HG21 THR 9 HG21 THR 9 -12.279 -4.598 2.747 77 HG22 THR 9 HG22 THR 9 -13.217 -5.679 1.691 78 HG23 THR 9 HG23 THR 9 -13.760 -5.375 3.357 79 H GLY 10 H GLY 10 -9.180 -6.553 5.462 80 HA2 GLY 10 HA2 GLY 10 -8.018 -8.086 6.761 81 HA3 GLY 10 HA3 GLY 10 -9.408 -9.189 6.710 82 H LYS 11 H LYS 11 -8.992 -8.252 3.545 83 HA LYS 11 HA LYS 11 -7.679 -10.784 2.900 84 HB2 LYS 11 HB2 LYS 11 -8.813 -8.529 1.201 85 HB3 LYS 11 HB3 LYS 11 -8.061 -10.001 0.542 86 HG2 LYS 11 HG2 LYS 11 -9.700 -11.355 1.918 87 HG3 LYS 11 HG3 LYS 11 -10.543 -9.834 2.295 88 HD2 LYS 11 HD2 LYS 11 -10.889 -9.424 -0.118 89 HD3 LYS 11 HD3 LYS 11 -9.999 -10.915 -0.506 90 HE2 LYS 11 HE2 LYS 11 -11.675 -12.222 0.798 91 HE3 LYS 11 HE3 LYS 11 -12.585 -10.726 1.092 92 HZ1 LYS 11 HZ1 LYS 11 -12.020 -11.918 -1.534 93 HZ2 LYS 11 HZ2 LYS 11 -13.470 -11.932 -0.751 94 HZ3 LYS 11 HZ3 LYS 11 -12.835 -10.506 -1.285 95 H THR 12 H THR 12 -5.525 -10.919 3.092 96 HA THR 12 HA THR 12 -3.806 -8.599 2.780 97 HB THR 12 HB THR 12 -3.062 -11.545 2.914 98 HG1 THR 12 HG1 THR 12 -2.988 -11.159 5.165 99 HG21 THR 12 HG21 THR 12 -1.613 -8.985 3.724 100 HG22 THR 12 HG22 THR 12 -0.991 -10.640 3.932 101 HG23 THR 12 HG23 THR 12 -1.242 -9.984 2.298 102 H ILE 13 H ILE 13 -2.529 -8.076 1.017 103 HA ILE 13 HA ILE 13 -2.871 -9.768 -1.405 104 HB ILE 13 HB ILE 13 -2.864 -6.731 -1.317 105 HG12 ILE 13 HG12 ILE 13 -5.194 -8.664 -1.678 106 HG13 ILE 13 HG13 ILE 13 -4.889 -7.680 -0.231 107 HG21 ILE 13 HG21 ILE 13 -3.552 -6.967 -3.673 108 HG22 ILE 13 HG22 ILE 13 -2.011 -7.804 -3.396 109 HG23 ILE 13 HG23 ILE 13 -3.520 -8.739 -3.519 110 HD11 ILE 13 HD11 ILE 13 -6.548 -6.567 -1.632 111 HD12 ILE 13 HD12 ILE 13 -5.043 -5.619 -1.628 112 HD13 ILE 13 HD13 ILE 13 -5.457 -6.632 -3.033 113 H THR 14 H THR 14 -0.933 -10.563 -1.957 114 HA THR 14 HA THR 14 1.555 -9.390 -1.112 115 HB THR 14 HB THR 14 1.026 -11.391 -3.345 116 HG1 THR 14 HG1 THR 14 1.356 -12.912 -1.650 117 HG21 THR 14 HG21 THR 14 3.316 -10.455 -3.261 118 HG22 THR 14 HG22 THR 14 3.429 -10.881 -1.537 119 HG23 THR 14 HG23 THR 14 3.308 -12.163 -2.765 120 H LEU 15 H LEU 15 2.521 -7.620 -1.990 121 HA LEU 15 HA LEU 15 1.760 -6.913 -4.783 122 HB2 LEU 15 HB2 LEU 15 0.878 -5.522 -2.733 123 HB3 LEU 15 HB3 LEU 15 2.531 -4.879 -2.690 124 HG LEU 15 HG LEU 15 2.259 -4.270 -5.138 125 HD11 LEU 15 HD11 LEU 15 -0.089 -4.157 -5.983 126 HD12 LEU 15 HD12 LEU 15 0.429 -5.832 -5.698 127 HD13 LEU 15 HD13 LEU 15 -0.638 -5.020 -4.528 128 HD21 LEU 15 HD21 LEU 15 0.244 -3.095 -3.176 129 HD22 LEU 15 HD22 LEU 15 1.956 -2.629 -3.313 130 HD23 LEU 15 HD23 LEU 15 0.836 -2.305 -4.655 131 H GLU 16 H GLU 16 3.391 -5.719 -6.002 132 HA GLU 16 HA GLU 16 6.150 -5.980 -4.944 133 HB2 GLU 16 HB2 GLU 16 5.537 -7.975 -6.355 134 HB3 GLU 16 HB3 GLU 16 5.265 -6.866 -7.717 135 HG2 GLU 16 HG2 GLU 16 7.609 -6.068 -7.515 136 HG3 GLU 16 HG3 GLU 16 7.870 -7.189 -6.164 137 H VAL 17 H VAL 17 6.886 -3.906 -4.922 138 HA VAL 17 HA VAL 17 6.311 -2.256 -7.338 139 HB VAL 17 HB VAL 17 6.235 -0.282 -5.812 140 HG11 VAL 17 HG11 VAL 17 4.227 -2.487 -5.179 141 HG12 VAL 17 HG12 VAL 17 3.980 -0.744 -4.919 142 HG13 VAL 17 HG13 VAL 17 4.158 -1.378 -6.570 143 HG21 VAL 17 HG21 VAL 17 7.519 -1.278 -3.935 144 HG22 VAL 17 HG22 VAL 17 5.943 -0.660 -3.394 145 HG23 VAL 17 HG23 VAL 17 6.178 -2.407 -3.625 146 H GLU 18 H GLU 18 7.919 -0.554 -7.737 147 HA GLU 18 HA GLU 18 10.610 -1.554 -7.317 148 HB2 GLU 18 HB2 GLU 18 9.415 0.876 -8.695 149 HB3 GLU 18 HB3 GLU 18 11.164 0.587 -8.598 150 HG2 GLU 18 HG2 GLU 18 10.228 -0.261 -10.723 151 HG3 GLU 18 HG3 GLU 18 10.913 -1.565 -9.736 152 HA PRO 19 HA PRO 19 11.487 0.498 -3.578 153 HB2 PRO 19 HB2 PRO 19 14.231 0.917 -4.709 154 HB3 PRO 19 HB3 PRO 19 13.750 0.155 -3.159 155 HG2 PRO 19 HG2 PRO 19 14.548 -1.329 -5.315 156 HG3 PRO 19 HG3 PRO 19 13.257 -1.891 -4.203 157 HD2 PRO 19 HD2 PRO 19 13.000 -0.715 -6.954 158 HD3 PRO 19 HD3 PRO 19 11.995 -1.953 -6.139 159 H SER 20 H SER 20 12.171 2.103 -6.669 160 HA SER 20 HA SER 20 12.414 4.677 -5.190 161 HB2 SER 20 HB2 SER 20 13.592 3.845 -7.865 162 HB3 SER 20 HB3 SER 20 13.828 5.412 -7.057 163 HG SER 20 HG SER 20 15.529 3.931 -6.640 164 H ASP 21 H ASP 21 9.981 3.155 -6.556 165 HA ASP 21 HA ASP 21 9.253 5.240 -8.534 166 HB2 ASP 21 HB2 ASP 21 8.224 2.509 -7.825 167 HB3 ASP 21 HB3 ASP 21 7.117 3.680 -8.568 168 H THR 22 H THR 22 9.249 5.030 -5.269 169 HA THR 22 HA THR 22 8.285 6.346 -3.695 170 HB THR 22 HB THR 22 6.527 7.448 -5.924 171 HG1 THR 22 HG1 THR 22 8.735 7.654 -6.395 172 HG21 THR 22 HG21 THR 22 6.498 9.457 -4.461 173 HG22 THR 22 HG22 THR 22 5.739 8.051 -3.687 174 HG23 THR 22 HG23 THR 22 7.386 8.543 -3.217 175 H ILE 23 H ILE 23 6.320 6.548 -2.400 176 HA ILE 23 HA ILE 23 4.899 4.168 -2.079 177 HB ILE 23 HB ILE 23 4.277 7.037 -1.294 178 HG12 ILE 23 HG12 ILE 23 6.353 5.936 -0.377 179 HG13 ILE 23 HG13 ILE 23 5.173 6.417 0.858 180 HG21 ILE 23 HG21 ILE 23 2.931 4.459 -0.393 181 HG22 ILE 23 HG22 ILE 23 2.713 6.048 0.377 182 HG23 ILE 23 HG23 ILE 23 2.177 5.792 -1.297 183 HD11 ILE 23 HD11 ILE 23 6.116 4.142 1.260 184 HD12 ILE 23 HD12 ILE 23 4.354 4.122 1.045 185 HD13 ILE 23 HD13 ILE 23 5.418 3.601 -0.282 186 H GLU 24 H GLU 24 4.268 6.848 -4.296 187 HA GLU 24 HA GLU 24 1.520 6.491 -4.705 188 HB2 GLU 24 HB2 GLU 24 2.867 8.343 -5.640 189 HB3 GLU 24 HB3 GLU 24 3.669 7.198 -6.742 190 HG2 GLU 24 HG2 GLU 24 1.462 6.619 -7.725 191 HG3 GLU 24 HG3 GLU 24 0.681 7.789 -6.642 192 H ASN 25 H ASN 25 4.285 4.566 -5.855 193 HA ASN 25 HA ASN 25 2.892 3.172 -7.897 194 HB2 ASN 25 HB2 ASN 25 5.397 3.338 -7.478 195 HB3 ASN 25 HB3 ASN 25 5.179 2.123 -6.203 196 HD21 ASN 25 HD21 ASN 25 6.162 0.115 -9.089 197 HD22 ASN 25 HD22 ASN 25 6.840 1.143 -7.847 198 H VAL 26 H VAL 26 3.076 2.725 -4.371 199 HA VAL 26 HA VAL 26 2.084 0.046 -4.335 200 HB VAL 26 HB VAL 26 1.843 2.276 -2.271 201 HG11 VAL 26 HG11 VAL 26 0.289 0.404 -1.847 202 HG12 VAL 26 HG12 VAL 26 1.630 -0.754 -2.011 203 HG13 VAL 26 HG13 VAL 26 1.613 0.405 -0.661 204 HG21 VAL 26 HG21 VAL 26 4.181 1.805 -2.930 205 HG22 VAL 26 HG22 VAL 26 3.854 1.223 -1.282 206 HG23 VAL 26 HG23 VAL 26 3.915 0.070 -2.635 207 H LYS 27 H LYS 27 0.561 3.251 -4.562 208 HA LYS 27 HA LYS 27 -2.131 2.147 -4.267 209 HB2 LYS 27 HB2 LYS 27 -1.105 4.874 -5.163 210 HB3 LYS 27 HB3 LYS 27 -2.814 4.464 -4.893 211 HG2 LYS 27 HG2 LYS 27 -2.259 3.834 -2.540 212 HG3 LYS 27 HG3 LYS 27 -0.587 4.374 -2.812 213 HD2 LYS 27 HD2 LYS 27 -3.080 6.109 -3.104 214 HD3 LYS 27 HD3 LYS 27 -1.977 6.120 -1.710 215 HE2 LYS 27 HE2 LYS 27 -0.105 6.763 -3.208 216 HE3 LYS 27 HE3 LYS 27 -1.225 6.788 -4.586 217 HZ1 LYS 27 HZ1 LYS 27 -1.424 8.478 -2.191 218 HZ2 LYS 27 HZ2 LYS 27 -0.875 8.963 -3.668 219 HZ3 LYS 27 HZ3 LYS 27 -2.451 8.511 -3.481 220 H ALA 28 H ALA 28 0.156 2.891 -6.871 221 HA ALA 28 HA ALA 28 -1.792 2.956 -8.964 222 HB1 ALA 28 HB1 ALA 28 0.450 3.983 -9.125 223 HB2 ALA 28 HB2 ALA 28 1.194 2.367 -9.045 224 HB3 ALA 28 HB3 ALA 28 0.179 2.810 -10.437 225 H LYS 29 H LYS 29 0.150 0.336 -7.476 226 HA LYS 29 HA LYS 29 -0.557 -1.569 -9.542 227 HB2 LYS 29 HB2 LYS 29 0.552 -1.902 -6.728 228 HB3 LYS 29 HB3 LYS 29 0.398 -3.216 -7.913 229 HG2 LYS 29 HG2 LYS 29 2.003 -0.669 -8.387 230 HG3 LYS 29 HG3 LYS 29 2.693 -2.201 -7.811 231 HD2 LYS 29 HD2 LYS 29 1.853 -3.336 -9.858 232 HD3 LYS 29 HD3 LYS 29 1.240 -1.774 -10.454 233 HE2 LYS 29 HE2 LYS 29 3.522 -0.839 -10.379 234 HE3 LYS 29 HE3 LYS 29 4.142 -2.379 -9.749 235 HZ1 LYS 29 HZ1 LYS 29 4.479 -2.200 -12.091 236 HZ2 LYS 29 HZ2 LYS 29 3.416 -3.421 -11.777 237 HZ3 LYS 29 HZ3 LYS 29 2.868 -1.979 -12.366 238 H ILE 30 H ILE 30 -1.910 -0.569 -6.396 239 HA ILE 30 HA ILE 30 -3.748 -2.800 -6.260 240 HB ILE 30 HB ILE 30 -3.610 -0.109 -4.845 241 HG12 ILE 30 HG12 ILE 30 -2.984 -2.935 -3.882 242 HG13 ILE 30 HG13 ILE 30 -1.762 -1.798 -4.487 243 HG21 ILE 30 HG21 ILE 30 -5.371 -2.534 -4.273 244 HG22 ILE 30 HG22 ILE 30 -5.240 -1.085 -3.250 245 HG23 ILE 30 HG23 ILE 30 -5.937 -0.959 -4.877 246 HD11 ILE 30 HD11 ILE 30 -2.457 -0.161 -2.738 247 HD12 ILE 30 HD12 ILE 30 -3.581 -1.375 -2.081 248 HD13 ILE 30 HD13 ILE 30 -1.828 -1.677 -2.054 249 H GLN 31 H GLN 31 -3.669 0.334 -7.843 250 HA GLN 31 HA GLN 31 -6.465 0.691 -8.213 251 HB2 GLN 31 HB2 GLN 31 -4.728 2.429 -8.594 252 HB3 GLN 31 HB3 GLN 31 -4.124 1.503 -9.984 253 HG2 GLN 31 HG2 GLN 31 -6.348 1.717 -11.074 254 HG3 GLN 31 HG3 GLN 31 -6.921 2.675 -9.693 255 HE21 GLN 31 HE21 GLN 31 -3.935 4.319 -12.090 256 HE22 GLN 31 HE22 GLN 31 -3.984 2.594 -11.807 257 H ASP 32 H ASP 32 -3.946 -1.074 -10.054 258 HA ASP 32 HA ASP 32 -5.863 -1.901 -12.104 259 HB2 ASP 32 HB2 ASP 32 -3.518 -1.401 -12.664 260 HB3 ASP 32 HB3 ASP 32 -2.972 -2.675 -11.554 261 H LYS 33 H LYS 33 -4.429 -3.182 -9.120 262 HA LYS 33 HA LYS 33 -5.112 -5.920 -9.786 263 HB2 LYS 33 HB2 LYS 33 -3.118 -5.126 -8.409 264 HB3 LYS 33 HB3 LYS 33 -4.268 -4.778 -7.101 265 HG2 LYS 33 HG2 LYS 33 -3.399 -6.977 -6.686 266 HG3 LYS 33 HG3 LYS 33 -5.046 -7.210 -7.315 267 HD2 LYS 33 HD2 LYS 33 -4.106 -7.613 -9.583 268 HD3 LYS 33 HD3 LYS 33 -2.467 -7.362 -8.942 269 HE2 LYS 33 HE2 LYS 33 -2.813 -9.264 -7.374 270 HE3 LYS 33 HE3 LYS 33 -4.422 -9.531 -8.078 271 HZ1 LYS 33 HZ1 LYS 33 -2.803 -10.971 -9.048 272 HZ2 LYS 33 HZ2 LYS 33 -3.350 -9.913 -10.189 273 HZ3 LYS 33 HZ3 LYS 33 -1.862 -9.698 -9.511 274 H GLU 34 H GLU 34 -6.125 -3.746 -7.063 275 HA GLU 34 HA GLU 34 -8.415 -5.512 -6.571 276 HB2 GLU 34 HB2 GLU 34 -6.917 -4.481 -4.782 277 HB3 GLU 34 HB3 GLU 34 -7.664 -2.919 -5.170 278 HG2 GLU 34 HG2 GLU 34 -8.767 -4.011 -3.242 279 HG3 GLU 34 HG3 GLU 34 -9.886 -3.837 -4.606 280 H GLY 35 H GLY 35 -7.687 -2.716 -8.429 281 HA2 GLY 35 HA2 GLY 35 -9.092 -1.644 -9.923 282 HA3 GLY 35 HA3 GLY 35 -10.480 -2.485 -9.211 283 H ILE 36 H ILE 36 -8.942 -1.292 -6.556 284 HA ILE 36 HA ILE 36 -10.874 0.850 -6.256 285 HB ILE 36 HB ILE 36 -8.521 0.015 -4.515 286 HG12 ILE 36 HG12 ILE 36 -11.478 -0.714 -4.351 287 HG13 ILE 36 HG13 ILE 36 -10.198 -1.789 -4.949 288 HG21 ILE 36 HG21 ILE 36 -11.015 1.662 -3.900 289 HG22 ILE 36 HG22 ILE 36 -9.740 1.218 -2.740 290 HG23 ILE 36 HG23 ILE 36 -9.370 2.315 -4.086 291 HD11 ILE 36 HD11 ILE 36 -9.043 -1.603 -2.743 292 HD12 ILE 36 HD12 ILE 36 -10.399 -0.616 -2.145 293 HD13 ILE 36 HD13 ILE 36 -10.670 -2.310 -2.609 294 HA PRO 37 HA PRO 37 -8.159 3.811 -8.220 295 HB2 PRO 37 HB2 PRO 37 -10.191 5.762 -7.263 296 HB3 PRO 37 HB3 PRO 37 -9.616 5.461 -8.933 297 HG2 PRO 37 HG2 PRO 37 -12.099 4.660 -8.041 298 HG3 PRO 37 HG3 PRO 37 -11.162 3.744 -9.267 299 HD2 PRO 37 HD2 PRO 37 -11.518 3.166 -6.339 300 HD3 PRO 37 HD3 PRO 37 -11.379 2.034 -7.717 301 HA PRO 38 HA PRO 38 -5.989 5.737 -4.881 302 HB2 PRO 38 HB2 PRO 38 -5.999 8.297 -6.423 303 HB3 PRO 38 HB3 PRO 38 -4.604 7.357 -5.800 304 HG2 PRO 38 HG2 PRO 38 -5.274 7.384 -8.460 305 HG3 PRO 38 HG3 PRO 38 -4.614 5.921 -7.658 306 HD2 PRO 38 HD2 PRO 38 -7.463 6.549 -8.398 307 HD3 PRO 38 HD3 PRO 38 -6.596 4.981 -8.422 308 H ASP 39 H ASP 39 -6.032 7.742 -3.428 309 HA ASP 39 HA ASP 39 -7.056 9.303 -2.156 310 HB2 ASP 39 HB2 ASP 39 -7.828 10.231 -4.372 311 HB3 ASP 39 HB3 ASP 39 -9.345 9.335 -4.146 312 H GLN 40 H GLN 40 -9.441 6.938 -3.477 313 HA GLN 40 HA GLN 40 -11.098 6.954 -1.153 314 HB2 GLN 40 HB2 GLN 40 -10.651 4.939 -3.385 315 HB3 GLN 40 HB3 GLN 40 -11.869 4.727 -2.107 316 HG2 GLN 40 HG2 GLN 40 -12.926 6.860 -2.721 317 HG3 GLN 40 HG3 GLN 40 -11.701 7.119 -3.979 318 HE21 GLN 40 HE21 GLN 40 -13.958 5.658 -6.265 319 HE22 GLN 40 HE22 GLN 40 -13.057 7.077 -5.776 320 H GLN 41 H GLN 41 -7.939 5.724 -1.722 321 HA GLN 41 HA GLN 41 -8.195 3.957 0.654 322 HB2 GLN 41 HB2 GLN 41 -6.411 2.587 -0.282 323 HB3 GLN 41 HB3 GLN 41 -7.731 2.734 -1.463 324 HG2 GLN 41 HG2 GLN 41 -6.468 4.617 -2.552 325 HG3 GLN 41 HG3 GLN 41 -5.120 4.306 -1.439 326 HE21 GLN 41 HE21 GLN 41 -5.791 1.914 -4.712 327 HE22 GLN 41 HE22 GLN 41 -6.887 3.201 -4.269 328 H ARG 42 H ARG 42 -6.212 3.825 1.999 329 HA ARG 42 HA ARG 42 -4.307 6.046 1.683 330 HB2 ARG 42 HB2 ARG 42 -6.537 6.126 3.515 331 HB3 ARG 42 HB3 ARG 42 -5.019 6.025 4.439 332 HG2 ARG 42 HG2 ARG 42 -4.095 7.926 3.225 333 HG3 ARG 42 HG3 ARG 42 -5.515 7.986 2.156 334 HD2 ARG 42 HD2 ARG 42 -5.673 8.310 5.177 335 HD3 ARG 42 HD3 ARG 42 -5.518 9.672 4.050 336 HE ARG 42 HE ARG 42 -7.729 7.810 3.516 337 HH11 ARG 42 HH11 ARG 42 -6.634 10.846 4.961 338 HH12 ARG 42 HH12 ARG 42 -8.221 11.582 4.940 339 HH21 ARG 42 HH21 ARG 42 -9.822 8.791 3.483 340 HH22 ARG 42 HH22 ARG 42 -10.028 10.418 4.092 341 H LEU 43 H LEU 43 -2.312 5.597 2.553 342 HA LEU 43 HA LEU 43 -1.945 2.785 3.384 343 HB2 LEU 43 HB2 LEU 43 -0.232 4.933 2.116 344 HB3 LEU 43 HB3 LEU 43 0.520 3.523 2.889 345 HG LEU 43 HG LEU 43 -1.622 3.317 0.738 346 HD11 LEU 43 HD11 LEU 43 0.240 2.737 -0.774 347 HD12 LEU 43 HD12 LEU 43 0.441 4.382 -0.128 348 HD13 LEU 43 HD13 LEU 43 1.407 3.041 0.535 349 HD21 LEU 43 HD21 LEU 43 -0.774 0.972 0.611 350 HD22 LEU 43 HD22 LEU 43 0.314 1.308 1.978 351 HD23 LEU 43 HD23 LEU 43 -1.451 1.348 2.210 352 H ALA 44 H ALA 44 -0.410 2.245 5.014 353 HA ALA 44 HA ALA 44 0.696 4.230 6.780 354 HB1 ALA 44 HB1 ALA 44 -1.538 2.424 7.794 355 HB2 ALA 44 HB2 ALA 44 -0.487 3.437 8.812 356 HB3 ALA 44 HB3 ALA 44 -1.608 4.196 7.658 357 H PHE 45 H PHE 45 1.934 3.047 8.581 358 HA PHE 45 HA PHE 45 2.428 0.200 7.961 359 HB2 PHE 45 HB2 PHE 45 4.013 1.677 6.642 360 HB3 PHE 45 HB3 PHE 45 4.678 2.221 8.188 361 HD1 PHE 45 HD1 PHE 45 5.458 0.295 9.823 362 HD2 PHE 45 HD2 PHE 45 4.911 -0.190 5.588 363 HE1 PHE 45 HE1 PHE 45 6.894 -1.724 9.868 364 HE2 PHE 45 HE2 PHE 45 6.335 -2.221 5.639 365 HZ PHE 45 HZ PHE 45 7.336 -2.981 7.777 366 H ALA 46 H ALA 46 2.099 -0.808 9.864 367 HA ALA 46 HA ALA 46 2.001 -1.202 12.100 368 HB1 ALA 46 HB1 ALA 46 4.451 -1.273 11.811 369 HB2 ALA 46 HB2 ALA 46 4.540 0.472 12.146 370 HB3 ALA 46 HB3 ALA 46 3.995 -0.649 13.414 371 H GLY 47 H GLY 47 0.898 1.417 10.866 372 HA2 GLY 47 HA2 GLY 47 -0.762 2.685 12.021 373 HA3 GLY 47 HA3 GLY 47 0.236 2.639 13.488 374 H LYS 48 H LYS 48 2.579 3.168 11.344 375 HA LYS 48 HA LYS 48 2.597 6.038 11.800 376 HB2 LYS 48 HB2 LYS 48 4.431 4.286 10.109 377 HB3 LYS 48 HB3 LYS 48 4.756 5.949 10.650 378 HG2 LYS 48 HG2 LYS 48 4.574 5.162 13.025 379 HG3 LYS 48 HG3 LYS 48 4.395 3.497 12.427 380 HD2 LYS 48 HD2 LYS 48 6.599 3.655 11.313 381 HD3 LYS 48 HD3 LYS 48 6.771 5.331 11.887 382 HE2 LYS 48 HE2 LYS 48 6.582 4.506 14.239 383 HE3 LYS 48 HE3 LYS 48 6.521 2.840 13.626 384 HZ1 LYS 48 HZ1 LYS 48 8.685 3.175 12.678 385 HZ2 LYS 48 HZ2 LYS 48 8.735 4.730 13.230 386 HZ3 LYS 48 HZ3 LYS 48 8.722 3.477 14.299 387 H GLN 49 H GLN 49 2.244 7.674 10.309 388 HA GLN 49 HA GLN 49 0.617 7.010 8.007 389 HB2 GLN 49 HB2 GLN 49 0.671 9.475 7.647 390 HB3 GLN 49 HB3 GLN 49 0.211 9.043 9.308 391 HG2 GLN 49 HG2 GLN 49 2.528 9.455 10.068 392 HG3 GLN 49 HG3 GLN 49 3.008 9.856 8.407 393 HE21 GLN 49 HE21 GLN 49 0.373 12.477 10.271 394 HE22 GLN 49 HE22 GLN 49 0.184 10.751 10.491 395 H LEU 50 H LEU 50 1.191 7.004 5.834 396 HA LEU 50 HA LEU 50 4.105 7.324 5.287 397 HB2 LEU 50 HB2 LEU 50 1.986 5.836 3.687 398 HB3 LEU 50 HB3 LEU 50 3.731 5.882 3.354 399 HG LEU 50 HG LEU 50 2.358 4.681 5.792 400 HD11 LEU 50 HD11 LEU 50 2.716 3.605 3.304 401 HD12 LEU 50 HD12 LEU 50 4.231 3.131 4.086 402 HD13 LEU 50 HD13 LEU 50 2.682 2.645 4.810 403 HD21 LEU 50 HD21 LEU 50 5.273 5.240 5.187 404 HD22 LEU 50 HD22 LEU 50 4.363 5.572 6.671 405 HD23 LEU 50 HD23 LEU 50 4.792 3.897 6.259 406 H GLU 51 H GLU 51 4.705 8.419 3.284 407 HA GLU 51 HA GLU 51 2.570 10.087 2.086 408 HB2 GLU 51 HB2 GLU 51 3.638 11.328 3.993 409 HB3 GLU 51 HB3 GLU 51 5.202 11.175 3.167 410 HG2 GLU 51 HG2 GLU 51 4.282 12.401 1.216 411 HG3 GLU 51 HG3 GLU 51 2.720 12.545 2.046 412 H ASP 52 H ASP 52 3.206 10.997 0.006 413 HA ASP 52 HA ASP 52 5.036 9.212 -1.436 414 HB2 ASP 52 HB2 ASP 52 4.140 10.372 -3.424 415 HB3 ASP 52 HB3 ASP 52 2.842 9.735 -2.395 416 H GLY 53 H GLY 53 6.552 10.221 -3.053 417 HA2 GLY 53 HA2 GLY 53 7.929 12.022 -3.734 418 HA3 GLY 53 HA3 GLY 53 7.624 12.841 -2.190 419 H ARG 54 H ARG 54 8.129 9.617 -1.434 420 HA ARG 54 HA ARG 54 11.074 9.980 -1.240 421 HB2 ARG 54 HB2 ARG 54 10.041 10.744 0.854 422 HB3 ARG 54 HB3 ARG 54 9.152 9.213 0.995 423 HG2 ARG 54 HG2 ARG 54 11.266 7.975 1.186 424 HG3 ARG 54 HG3 ARG 54 12.187 9.483 0.962 425 HD2 ARG 54 HD2 ARG 54 11.220 10.413 3.006 426 HD3 ARG 54 HD3 ARG 54 10.197 8.975 3.210 427 HE ARG 54 HE ARG 54 12.780 7.983 3.078 428 HH11 ARG 54 HH11 ARG 54 11.013 10.288 5.099 429 HH12 ARG 54 HH12 ARG 54 11.986 9.995 6.521 430 HH21 ARG 54 HH21 ARG 54 14.056 7.588 4.947 431 HH22 ARG 54 HH22 ARG 54 13.730 8.449 6.435 432 H THR 55 H THR 55 12.271 8.032 -0.967 433 HA THR 55 HA THR 55 11.327 5.746 -2.387 434 HB THR 55 HB THR 55 13.612 6.104 -0.398 435 HG1 THR 55 HG1 THR 55 14.809 6.435 -2.309 436 HG21 THR 55 HG21 THR 55 13.982 4.169 -2.567 437 HG22 THR 55 HG22 THR 55 14.277 3.999 -0.828 438 HG23 THR 55 HG23 THR 55 12.644 3.722 -1.472 439 H LEU 56 H LEU 56 9.760 4.386 -1.679 440 HA LEU 56 HA LEU 56 8.793 4.404 0.963 441 HB2 LEU 56 HB2 LEU 56 7.457 2.466 0.275 442 HB3 LEU 56 HB3 LEU 56 7.491 3.709 -0.988 443 HG LEU 56 HG LEU 56 9.568 2.261 -1.867 444 HD11 LEU 56 HD11 LEU 56 9.447 0.616 0.013 445 HD12 LEU 56 HD12 LEU 56 7.773 0.238 -0.450 446 HD13 LEU 56 HD13 LEU 56 9.112 -0.149 -1.554 447 HD21 LEU 56 HD21 LEU 56 6.627 1.526 -2.202 448 HD22 LEU 56 HD22 LEU 56 7.493 2.793 -3.095 449 HD23 LEU 56 HD23 LEU 56 7.938 1.086 -3.327 450 H SER 57 H SER 57 11.374 2.485 -0.539 451 HA SER 57 HA SER 57 11.419 0.481 1.519 452 HB2 SER 57 HB2 SER 57 13.556 1.343 -0.473 453 HB3 SER 57 HB3 SER 57 13.547 -0.171 0.463 454 HG SER 57 HG SER 57 12.672 -0.464 -1.620 455 H ASP 58 H ASP 58 12.749 3.730 1.241 456 HA ASP 58 HA ASP 58 14.595 3.263 3.501 457 HB2 ASP 58 HB2 ASP 58 15.266 4.654 1.531 458 HB3 ASP 58 HB3 ASP 58 13.965 5.793 1.930 459 H TYR 59 H TYR 59 11.358 4.160 2.832 460 HA TYR 59 HA TYR 59 10.961 5.979 5.016 461 HB2 TYR 59 HB2 TYR 59 9.646 5.469 2.761 462 HB3 TYR 59 HB3 TYR 59 8.737 4.376 3.803 463 HD1 TYR 59 HD1 TYR 59 8.125 7.168 2.273 464 HD2 TYR 59 HD2 TYR 59 8.754 5.983 6.358 465 HE1 TYR 59 HE1 TYR 59 6.765 9.095 3.037 466 HE2 TYR 59 HE2 TYR 59 7.386 7.897 7.131 467 HH TYR 59 HH TYR 59 6.126 9.712 6.513 468 H ASN 60 H ASN 60 9.359 2.767 4.548 469 HA ASN 60 HA ASN 60 10.109 1.967 7.275 470 HB2 ASN 60 HB2 ASN 60 7.323 2.824 6.469 471 HB3 ASN 60 HB3 ASN 60 7.561 1.560 7.692 472 HD21 ASN 60 HD21 ASN 60 7.791 5.375 8.837 473 HD22 ASN 60 HD22 ASN 60 7.007 4.792 7.386 474 H ILE 61 H ILE 61 8.716 1.351 4.094 475 HA ILE 61 HA ILE 61 7.699 -1.236 4.470 476 HB ILE 61 HB ILE 61 8.887 0.251 2.127 477 HG12 ILE 61 HG12 ILE 61 6.544 -0.305 1.271 478 HG13 ILE 61 HG13 ILE 61 6.182 -0.939 2.890 479 HG21 ILE 61 HG21 ILE 61 8.300 -1.706 0.697 480 HG22 ILE 61 HG22 ILE 61 9.637 -2.068 1.808 481 HG23 ILE 61 HG23 ILE 61 7.998 -2.666 2.163 482 HD11 ILE 61 HD11 ILE 61 5.497 1.484 2.457 483 HD12 ILE 61 HD12 ILE 61 6.527 1.233 3.889 484 HD13 ILE 61 HD13 ILE 61 7.227 1.875 2.383 485 H GLN 62 H GLN 62 8.529 -3.269 4.501 486 HA GLN 62 HA GLN 62 11.488 -3.550 4.350 487 HB2 GLN 62 HB2 GLN 62 9.552 -4.533 6.472 488 HB3 GLN 62 HB3 GLN 62 11.127 -5.313 6.201 489 HG2 GLN 62 HG2 GLN 62 12.309 -3.255 6.669 490 HG3 GLN 62 HG3 GLN 62 10.790 -2.338 6.730 491 HE21 GLN 62 HE21 GLN 62 10.690 -2.716 10.210 492 HE22 GLN 62 HE22 GLN 62 10.645 -1.660 8.813 493 H LYS 63 H LYS 63 12.075 -5.910 4.020 494 HA LYS 63 HA LYS 63 10.668 -6.878 1.735 495 HB2 LYS 63 HB2 LYS 63 12.260 -8.769 1.881 496 HB3 LYS 63 HB3 LYS 63 13.059 -7.190 2.003 497 HG2 LYS 63 HG2 LYS 63 13.076 -7.428 4.496 498 HG3 LYS 63 HG3 LYS 63 12.393 -9.063 4.311 499 HD2 LYS 63 HD2 LYS 63 14.338 -9.722 2.936 500 HD3 LYS 63 HD3 LYS 63 15.015 -8.087 3.108 501 HE2 LYS 63 HE2 LYS 63 15.086 -8.385 5.569 502 HE3 LYS 63 HE3 LYS 63 14.444 -10.031 5.383 503 HZ1 LYS 63 HZ1 LYS 63 16.840 -9.967 5.588 504 HZ2 LYS 63 HZ2 LYS 63 16.377 -10.599 4.136 505 HZ3 LYS 63 HZ3 LYS 63 16.958 -9.058 4.218 506 H GLU 64 H GLU 64 8.941 -8.128 1.573 507 HA GLU 64 HA GLU 64 7.135 -9.371 2.173 508 HB2 GLU 64 HB2 GLU 64 9.343 -10.901 3.604 509 HB3 GLU 64 HB3 GLU 64 7.708 -11.517 3.287 510 HG2 GLU 64 HG2 GLU 64 8.942 -12.361 1.485 511 HG3 GLU 64 HG3 GLU 64 8.168 -10.918 0.804 512 H SER 65 H SER 65 7.389 -7.054 3.781 513 HA SER 65 HA SER 65 6.599 -8.052 6.460 514 HB2 SER 65 HB2 SER 65 8.369 -6.167 5.960 515 HB3 SER 65 HB3 SER 65 6.930 -5.139 5.765 516 HG SER 65 HG SER 65 7.802 -5.285 7.942 517 H THR 66 H THR 66 4.755 -6.714 7.484 518 HA THR 66 HA THR 66 2.533 -6.739 5.543 519 HB THR 66 HB THR 66 2.508 -6.572 8.581 520 HG1 THR 66 HG1 THR 66 1.885 -8.873 7.117 521 HG21 THR 66 HG21 THR 66 0.176 -7.375 8.308 522 HG22 THR 66 HG22 THR 66 0.421 -5.811 7.498 523 HG23 THR 66 HG23 THR 66 0.364 -7.310 6.539 524 H LEU 67 H LEU 67 1.390 -4.966 4.981 525 HA LEU 67 HA LEU 67 2.149 -2.365 6.234 526 HB2 LEU 67 HB2 LEU 67 1.281 -3.183 3.443 527 HB3 LEU 67 HB3 LEU 67 1.031 -1.530 4.035 528 HG LEU 67 HG LEU 67 3.503 -1.469 4.639 529 HD11 LEU 67 HD11 LEU 67 3.469 -3.947 2.859 530 HD12 LEU 67 HD12 LEU 67 4.933 -3.041 3.308 531 HD13 LEU 67 HD13 LEU 67 3.989 -3.876 4.559 532 HD21 LEU 67 HD21 LEU 67 2.671 -1.822 1.728 533 HD22 LEU 67 HD22 LEU 67 2.536 -0.325 2.681 534 HD23 LEU 67 HD23 LEU 67 4.139 -0.986 2.286 535 H HIS 68 H HIS 68 0.167 -0.741 5.902 536 HA HIS 68 HA HIS 68 -2.336 -2.195 6.597 537 HB2 HIS 68 HB2 HIS 68 -1.243 -1.275 8.624 538 HB3 HIS 68 HB3 HIS 68 -1.267 0.337 7.891 539 HD1 HIS 68 HD1 HIS 68 -3.797 -2.369 9.031 540 HD2 HIS 68 HD2 HIS 68 -3.473 1.734 8.163 541 HE1 HIS 68 HE1 HIS 68 -6.021 -1.303 9.707 542 H LEU 69 H LEU 69 -4.101 -1.547 5.488 543 HA LEU 69 HA LEU 69 -3.870 0.955 3.887 544 HB2 LEU 69 HB2 LEU 69 -3.479 -1.156 2.544 545 HB3 LEU 69 HB3 LEU 69 -5.111 -1.680 3.001 546 HG LEU 69 HG LEU 69 -5.954 0.529 1.996 547 HD11 LEU 69 HD11 LEU 69 -3.150 0.470 0.794 548 HD12 LEU 69 HD12 LEU 69 -4.455 1.589 0.340 549 HD13 LEU 69 HD13 LEU 69 -3.737 1.673 1.964 550 HD21 LEU 69 HD21 LEU 69 -5.855 -0.360 -0.305 551 HD22 LEU 69 HD22 LEU 69 -4.539 -1.459 0.172 552 HD23 LEU 69 HD23 LEU 69 -6.164 -1.662 0.866 553 H ALA 70 H ALA 70 -5.830 2.087 3.571 554 HA ALA 70 HA ALA 70 -8.150 1.074 5.140 555 HB1 ALA 70 HB1 ALA 70 -7.886 4.003 4.848 556 HB2 ALA 70 HB2 ALA 70 -8.330 3.034 6.262 557 HB3 ALA 70 HB3 ALA 70 -6.613 3.242 5.846 558 H LEU 71 H LEU 71 -10.171 1.330 4.175 559 HA LEU 71 HA LEU 71 -10.126 2.375 1.377 560 HB2 LEU 71 HB2 LEU 71 -11.546 -0.058 2.551 561 HB3 LEU 71 HB3 LEU 71 -11.902 0.628 0.963 562 HG LEU 71 HG LEU 71 -10.472 -1.156 0.486 563 HD11 LEU 71 HD11 LEU 71 -9.777 0.981 -0.592 564 HD12 LEU 71 HD12 LEU 71 -8.593 1.224 0.711 565 HD13 LEU 71 HD13 LEU 71 -8.436 -0.165 -0.383 566 HD21 LEU 71 HD21 LEU 71 -8.961 -0.320 2.964 567 HD22 LEU 71 HD22 LEU 71 -9.652 -1.887 2.537 568 HD23 LEU 71 HD23 LEU 71 -8.184 -1.323 1.709 569 H ARG 72 H ARG 72 -12.537 2.658 0.636 570 HA ARG 72 HA ARG 72 -13.735 4.679 2.277 571 HB2 ARG 72 HB2 ARG 72 -15.567 4.557 0.606 572 HB3 ARG 72 HB3 ARG 72 -13.972 4.664 -0.171 573 HG2 ARG 72 HG2 ARG 72 -13.974 2.332 -0.714 574 HG3 ARG 72 HG3 ARG 72 -15.350 2.002 0.361 575 HD2 ARG 72 HD2 ARG 72 -15.514 3.828 -2.065 576 HD3 ARG 72 HD3 ARG 72 -15.930 2.102 -2.100 577 HE ARG 72 HE ARG 72 -17.453 2.948 -0.042 578 HH11 ARG 72 HH11 ARG 72 -16.954 4.254 -3.294 579 HH12 ARG 72 HH12 ARG 72 -18.563 4.926 -3.417 580 HH21 ARG 72 HH21 ARG 72 -19.574 3.820 -0.212 581 HH22 ARG 72 HH22 ARG 72 -20.066 4.666 -1.659 582 H LEU 73 H LEU 73 -16.190 4.509 2.819 583 HA LEU 73 HA LEU 73 -16.556 2.288 4.648 584 HB2 LEU 73 HB2 LEU 73 -18.458 4.446 3.642 585 HB3 LEU 73 HB3 LEU 73 -18.797 3.333 4.983 586 HG LEU 73 HG LEU 73 -16.461 5.290 4.890 587 HD11 LEU 73 HD11 LEU 73 -17.752 6.548 6.574 588 HD12 LEU 73 HD12 LEU 73 -18.654 6.423 5.046 589 HD13 LEU 73 HD13 LEU 73 -19.092 5.386 6.425 590 HD21 LEU 73 HD21 LEU 73 -16.286 4.724 7.312 591 HD22 LEU 73 HD22 LEU 73 -17.562 3.502 7.105 592 HD23 LEU 73 HD23 LEU 73 -15.997 3.309 6.277 593 H ARG 74 H ARG 74 -18.608 0.930 4.541 594 HA ARG 74 HA ARG 74 -18.771 -0.390 1.976 595 HB2 ARG 74 HB2 ARG 74 -18.959 -1.578 4.136 596 HB3 ARG 74 HB3 ARG 74 -20.458 -0.692 4.497 597 HG2 ARG 74 HG2 ARG 74 -21.569 -1.684 2.564 598 HG3 ARG 74 HG3 ARG 74 -20.050 -2.443 2.033 599 HD2 ARG 74 HD2 ARG 74 -21.478 -4.081 3.187 600 HD3 ARG 74 HD3 ARG 74 -19.993 -3.780 4.111 601 HE ARG 74 HE ARG 74 -22.521 -2.343 4.772 602 HH11 ARG 74 HH11 ARG 74 -19.985 -4.647 5.619 603 HH12 ARG 74 HH12 ARG 74 -20.400 -4.696 7.316 604 HH21 ARG 74 HH21 ARG 74 -23.066 -2.377 6.985 605 HH22 ARG 74 HH22 ARG 74 -22.193 -3.401 8.103 606 H GLY 75 H GLY 75 -20.721 1.979 3.776 607 HA2 GLY 75 HA2 GLY 75 -22.128 3.552 2.691 608 HA3 GLY 75 HA3 GLY 75 -22.310 2.442 1.315 609 H GLY 76 H GLY 76 -22.457 0.581 4.079 610 HA2 GLY 76 HA2 GLY 76 -25.097 1.077 5.037 611 HA3 GLY 76 HA3 GLY 76 -25.128 -0.193 3.790 Start of MODEL 16 1 H1 MET 1 H MET 1 11.538 -8.923 -1.034 2 HA MET 1 HA MET 1 12.120 -7.904 -3.753 3 HB2 MET 1 HB2 MET 1 12.764 -10.274 -3.479 4 HB3 MET 1 HB3 MET 1 11.114 -10.653 -2.932 5 HG2 MET 1 HG2 MET 1 10.234 -9.769 -5.090 6 HG3 MET 1 HG3 MET 1 11.889 -9.484 -5.633 7 HE1 MET 1 HE1 MET 1 11.207 -10.798 -7.839 8 HE2 MET 1 HE2 MET 1 10.545 -12.450 -7.842 9 HE3 MET 1 HE3 MET 1 9.591 -11.110 -7.164 10 H GLN 2 H GLN 2 9.557 -9.334 -1.638 11 HA GLN 2 HA GLN 2 7.586 -7.613 -3.076 12 HB2 GLN 2 HB2 GLN 2 7.402 -10.550 -2.306 13 HB3 GLN 2 HB3 GLN 2 5.983 -9.552 -2.702 14 HG2 GLN 2 HG2 GLN 2 7.000 -8.999 -4.900 15 HG3 GLN 2 HG3 GLN 2 8.368 -10.062 -4.519 16 HE21 GLN 2 HE21 GLN 2 5.840 -11.925 -6.607 17 HE22 GLN 2 HE22 GLN 2 6.740 -10.436 -6.800 18 H ILE 3 H ILE 3 5.448 -7.663 -1.723 19 HA ILE 3 HA ILE 3 6.015 -7.707 1.180 20 HB ILE 3 HB ILE 3 4.921 -5.489 1.425 21 HG12 ILE 3 HG12 ILE 3 5.164 -5.375 -1.614 22 HG13 ILE 3 HG13 ILE 3 3.643 -5.584 -0.718 23 HG21 ILE 3 HG21 ILE 3 6.844 -4.164 0.695 24 HG22 ILE 3 HG22 ILE 3 7.406 -5.735 1.307 25 HG23 ILE 3 HG23 ILE 3 7.327 -5.441 -0.446 26 HD11 ILE 3 HD11 ILE 3 5.521 -3.189 -0.541 27 HD12 ILE 3 HD12 ILE 3 3.928 -3.230 -1.329 28 HD13 ILE 3 HD13 ILE 3 4.050 -3.413 0.436 29 H PHE 4 H PHE 4 3.810 -7.156 2.341 30 HA PHE 4 HA PHE 4 1.557 -8.384 0.844 31 HB2 PHE 4 HB2 PHE 4 2.637 -9.092 3.577 32 HB3 PHE 4 HB3 PHE 4 0.958 -9.400 3.133 33 HD1 PHE 4 HD1 PHE 4 0.367 -11.010 1.397 34 HD2 PHE 4 HD2 PHE 4 4.434 -10.495 2.669 35 HE1 PHE 4 HE1 PHE 4 0.949 -13.220 0.434 36 HE2 PHE 4 HE2 PHE 4 5.025 -12.678 1.672 37 HZ PHE 4 HZ PHE 4 3.282 -14.050 0.561 38 H VAL 5 H VAL 5 0.118 -6.810 0.620 39 HA VAL 5 HA VAL 5 -0.162 -4.781 2.764 40 HB VAL 5 HB VAL 5 -1.285 -4.907 -0.069 41 HG11 VAL 5 HG11 VAL 5 -1.816 -2.517 0.333 42 HG12 VAL 5 HG12 VAL 5 -2.675 -3.574 1.475 43 HG13 VAL 5 HG13 VAL 5 -1.235 -2.673 2.007 44 HG21 VAL 5 HG21 VAL 5 0.396 -3.149 -0.541 45 HG22 VAL 5 HG22 VAL 5 1.026 -3.308 1.115 46 HG23 VAL 5 HG23 VAL 5 1.175 -4.663 -0.029 47 H LYS 6 H LYS 6 -1.696 -5.158 4.270 48 HA LYS 6 HA LYS 6 -3.856 -7.052 3.539 49 HB2 LYS 6 HB2 LYS 6 -2.280 -7.522 5.468 50 HB3 LYS 6 HB3 LYS 6 -3.007 -6.137 6.312 51 HG2 LYS 6 HG2 LYS 6 -5.198 -7.189 6.266 52 HG3 LYS 6 HG3 LYS 6 -4.604 -8.475 5.187 53 HD2 LYS 6 HD2 LYS 6 -3.000 -9.183 6.966 54 HD3 LYS 6 HD3 LYS 6 -3.718 -7.975 8.060 55 HE2 LYS 6 HE2 LYS 6 -5.910 -9.076 7.867 56 HE3 LYS 6 HE3 LYS 6 -5.245 -10.214 6.678 57 HZ1 LYS 6 HZ1 LYS 6 -4.917 -11.461 8.441 58 HZ2 LYS 6 HZ2 LYS 6 -3.591 -10.530 8.708 59 HZ3 LYS 6 HZ3 LYS 6 -4.991 -10.211 9.524 60 H THR 7 H THR 7 -5.818 -6.259 3.119 61 HA THR 7 HA THR 7 -6.466 -3.497 3.388 62 HB THR 7 HB THR 7 -8.708 -4.230 2.699 63 HG1 THR 7 HG1 THR 7 -9.173 -6.416 2.647 64 HG21 THR 7 HG21 THR 7 -8.111 -5.460 0.640 65 HG22 THR 7 HG22 THR 7 -6.932 -4.170 0.964 66 HG23 THR 7 HG23 THR 7 -6.522 -5.862 1.330 67 H ALA 8 H ALA 8 -8.594 -2.841 4.564 68 HA ALA 8 HA ALA 8 -8.306 -3.419 7.388 69 HB1 ALA 8 HB1 ALA 8 -10.261 -1.921 7.594 70 HB2 ALA 8 HB2 ALA 8 -9.017 -1.208 6.540 71 HB3 ALA 8 HB3 ALA 8 -10.470 -1.949 5.827 72 H THR 9 H THR 9 -9.717 -5.078 4.776 73 HA THR 9 HA THR 9 -11.857 -6.265 6.442 74 HB THR 9 HB THR 9 -12.546 -7.324 4.290 75 HG1 THR 9 HG1 THR 9 -11.529 -6.468 2.408 76 HG21 THR 9 HG21 THR 9 -12.159 -4.303 4.189 77 HG22 THR 9 HG22 THR 9 -13.356 -5.235 3.259 78 HG23 THR 9 HG23 THR 9 -13.478 -5.150 5.032 79 H GLY 10 H GLY 10 -8.609 -6.678 5.981 80 HA2 GLY 10 HA2 GLY 10 -7.354 -8.379 6.930 81 HA3 GLY 10 HA3 GLY 10 -8.789 -9.420 6.979 82 H LYS 11 H LYS 11 -8.658 -8.115 3.881 83 HA LYS 11 HA LYS 11 -7.880 -10.652 2.743 84 HB2 LYS 11 HB2 LYS 11 -8.351 -7.919 1.484 85 HB3 LYS 11 HB3 LYS 11 -8.139 -9.439 0.588 86 HG2 LYS 11 HG2 LYS 11 -10.109 -10.397 1.758 87 HG3 LYS 11 HG3 LYS 11 -10.340 -8.856 2.617 88 HD2 LYS 11 HD2 LYS 11 -10.641 -7.687 0.469 89 HD3 LYS 11 HD3 LYS 11 -10.357 -9.206 -0.411 90 HE2 LYS 11 HE2 LYS 11 -12.337 -10.210 0.732 91 HE3 LYS 11 HE3 LYS 11 -12.620 -8.655 1.542 92 HZ1 LYS 11 HZ1 LYS 11 -12.490 -7.906 -0.977 93 HZ2 LYS 11 HZ2 LYS 11 -13.103 -9.414 -1.181 94 HZ3 LYS 11 HZ3 LYS 11 -13.903 -8.331 -0.226 95 H THR 12 H THR 12 -5.864 -11.366 2.484 96 HA THR 12 HA THR 12 -3.566 -9.597 2.716 97 HB THR 12 HB THR 12 -3.736 -12.515 1.864 98 HG1 THR 12 HG1 THR 12 -3.402 -12.897 4.104 99 HG21 THR 12 HG21 THR 12 -1.520 -10.899 3.187 100 HG22 THR 12 HG22 THR 12 -1.448 -12.623 2.762 101 HG23 THR 12 HG23 THR 12 -1.563 -11.399 1.478 102 H ILE 13 H ILE 13 -2.355 -8.735 1.070 103 HA ILE 13 HA ILE 13 -2.951 -9.671 -1.688 104 HB ILE 13 HB ILE 13 -2.587 -6.766 -0.869 105 HG12 ILE 13 HG12 ILE 13 -5.121 -8.274 -1.650 106 HG13 ILE 13 HG13 ILE 13 -4.724 -7.708 -0.014 107 HG21 ILE 13 HG21 ILE 13 -1.845 -7.398 -3.166 108 HG22 ILE 13 HG22 ILE 13 -3.461 -8.070 -3.484 109 HG23 ILE 13 HG23 ILE 13 -3.260 -6.326 -3.193 110 HD11 ILE 13 HD11 ILE 13 -5.118 -5.953 -2.474 111 HD12 ILE 13 HD12 ILE 13 -6.226 -6.109 -1.094 112 HD13 ILE 13 HD13 ILE 13 -4.625 -5.368 -0.866 113 H THR 14 H THR 14 -1.096 -10.655 -2.312 114 HA THR 14 HA THR 14 1.518 -9.798 -1.397 115 HB THR 14 HB THR 14 0.751 -11.543 -3.773 116 HG1 THR 14 HG1 THR 14 1.276 -12.236 -1.071 117 HG21 THR 14 HG21 THR 14 3.270 -11.366 -2.062 118 HG22 THR 14 HG22 THR 14 2.994 -12.524 -3.385 119 HG23 THR 14 HG23 THR 14 3.105 -10.784 -3.736 120 H LEU 15 H LEU 15 2.605 -8.027 -2.160 121 HA LEU 15 HA LEU 15 1.860 -7.105 -4.889 122 HB2 LEU 15 HB2 LEU 15 0.962 -5.771 -2.825 123 HB3 LEU 15 HB3 LEU 15 2.638 -5.204 -2.677 124 HG LEU 15 HG LEU 15 2.510 -4.485 -5.111 125 HD11 LEU 15 HD11 LEU 15 0.212 -4.220 -6.053 126 HD12 LEU 15 HD12 LEU 15 0.641 -5.927 -5.825 127 HD13 LEU 15 HD13 LEU 15 -0.442 -5.121 -4.666 128 HD21 LEU 15 HD21 LEU 15 0.482 -3.300 -3.171 129 HD22 LEU 15 HD22 LEU 15 2.214 -2.902 -3.247 130 HD23 LEU 15 HD23 LEU 15 1.145 -2.477 -4.603 131 H GLU 16 H GLU 16 3.511 -5.953 -6.042 132 HA GLU 16 HA GLU 16 6.239 -6.115 -4.906 133 HB2 GLU 16 HB2 GLU 16 5.819 -8.107 -6.381 134 HB3 GLU 16 HB3 GLU 16 5.495 -6.990 -7.726 135 HG2 GLU 16 HG2 GLU 16 7.753 -6.004 -7.440 136 HG3 GLU 16 HG3 GLU 16 8.072 -7.126 -6.103 137 H VAL 17 H VAL 17 7.045 -4.077 -4.950 138 HA VAL 17 HA VAL 17 6.187 -2.336 -7.216 139 HB VAL 17 HB VAL 17 6.154 -0.442 -5.615 140 HG11 VAL 17 HG11 VAL 17 4.373 -2.787 -4.823 141 HG12 VAL 17 HG12 VAL 17 4.053 -1.072 -4.481 142 HG13 VAL 17 HG13 VAL 17 4.071 -1.653 -6.160 143 HG21 VAL 17 HG21 VAL 17 7.713 -1.394 -3.938 144 HG22 VAL 17 HG22 VAL 17 6.176 -0.908 -3.190 145 HG23 VAL 17 HG23 VAL 17 6.501 -2.627 -3.514 146 H GLU 18 H GLU 18 7.695 -0.470 -7.561 147 HA GLU 18 HA GLU 18 10.451 -1.412 -7.464 148 HB2 GLU 18 HB2 GLU 18 9.055 1.039 -8.583 149 HB3 GLU 18 HB3 GLU 18 10.817 0.830 -8.639 150 HG2 GLU 18 HG2 GLU 18 9.780 0.074 -10.739 151 HG3 GLU 18 HG3 GLU 18 10.557 -1.272 -9.886 152 HA PRO 19 HA PRO 19 11.555 0.393 -3.698 153 HB2 PRO 19 HB2 PRO 19 14.173 1.138 -4.935 154 HB3 PRO 19 HB3 PRO 19 13.851 0.125 -3.492 155 HG2 PRO 19 HG2 PRO 19 14.592 -0.941 -5.910 156 HG3 PRO 19 HG3 PRO 19 13.465 -1.783 -4.798 157 HD2 PRO 19 HD2 PRO 19 12.859 -0.267 -7.313 158 HD3 PRO 19 HD3 PRO 19 12.035 -1.691 -6.606 159 H SER 20 H SER 20 11.947 2.402 -6.614 160 HA SER 20 HA SER 20 12.042 4.795 -4.833 161 HB2 SER 20 HB2 SER 20 13.403 4.362 -7.515 162 HB3 SER 20 HB3 SER 20 13.514 5.817 -6.497 163 HG SER 20 HG SER 20 15.266 4.332 -6.214 164 H ASP 21 H ASP 21 9.790 3.307 -6.472 165 HA ASP 21 HA ASP 21 9.068 5.406 -8.406 166 HB2 ASP 21 HB2 ASP 21 8.018 2.687 -7.649 167 HB3 ASP 21 HB3 ASP 21 6.971 3.825 -8.522 168 H THR 22 H THR 22 8.983 5.291 -5.157 169 HA THR 22 HA THR 22 7.980 6.669 -3.655 170 HB THR 22 HB THR 22 6.068 7.508 -5.869 171 HG1 THR 22 HG1 THR 22 8.272 7.826 -6.412 172 HG21 THR 22 HG21 THR 22 5.949 9.588 -4.504 173 HG22 THR 22 HG22 THR 22 5.335 8.169 -3.629 174 HG23 THR 22 HG23 THR 22 6.958 8.805 -3.263 175 H ILE 23 H ILE 23 6.048 6.743 -2.293 176 HA ILE 23 HA ILE 23 4.842 4.240 -1.905 177 HB ILE 23 HB ILE 23 4.058 7.050 -1.057 178 HG12 ILE 23 HG12 ILE 23 6.245 6.093 -0.247 179 HG13 ILE 23 HG13 ILE 23 5.092 6.478 1.045 180 HG21 ILE 23 HG21 ILE 23 2.935 4.376 -0.125 181 HG22 ILE 23 HG22 ILE 23 2.645 5.941 0.672 182 HG23 ILE 23 HG23 ILE 23 2.051 5.662 -0.979 183 HD11 ILE 23 HD11 ILE 23 6.209 4.275 1.381 184 HD12 ILE 23 HD12 ILE 23 4.444 4.131 1.241 185 HD13 ILE 23 HD13 ILE 23 5.483 3.697 -0.136 186 H GLU 24 H GLU 24 3.875 6.948 -3.989 187 HA GLU 24 HA GLU 24 1.155 6.316 -4.266 188 HB2 GLU 24 HB2 GLU 24 2.261 8.378 -5.095 189 HB3 GLU 24 HB3 GLU 24 3.035 7.427 -6.385 190 HG2 GLU 24 HG2 GLU 24 0.870 6.823 -7.313 191 HG3 GLU 24 HG3 GLU 24 0.025 7.547 -5.930 192 H ASN 25 H ASN 25 4.031 4.779 -5.653 193 HA ASN 25 HA ASN 25 2.695 3.350 -7.719 194 HB2 ASN 25 HB2 ASN 25 5.170 3.728 -7.470 195 HB3 ASN 25 HB3 ASN 25 5.174 2.539 -6.154 196 HD21 ASN 25 HD21 ASN 25 6.158 0.469 -8.964 197 HD22 ASN 25 HD22 ASN 25 6.805 1.601 -7.799 198 H VAL 26 H VAL 26 3.112 2.757 -4.225 199 HA VAL 26 HA VAL 26 2.353 0.003 -4.288 200 HB VAL 26 HB VAL 26 2.014 2.084 -2.086 201 HG11 VAL 26 HG11 VAL 26 0.698 0.028 -1.705 202 HG12 VAL 26 HG12 VAL 26 2.149 -0.960 -2.000 203 HG13 VAL 26 HG13 VAL 26 2.076 0.115 -0.584 204 HG21 VAL 26 HG21 VAL 26 4.349 1.914 -2.891 205 HG22 VAL 26 HG22 VAL 26 4.179 1.219 -1.263 206 HG23 VAL 26 HG23 VAL 26 4.293 0.148 -2.678 207 H LYS 27 H LYS 27 0.570 3.053 -4.363 208 HA LYS 27 HA LYS 27 -2.003 1.760 -3.872 209 HB2 LYS 27 HB2 LYS 27 -1.259 4.562 -4.814 210 HB3 LYS 27 HB3 LYS 27 -2.890 4.029 -4.349 211 HG2 LYS 27 HG2 LYS 27 -2.006 3.420 -2.087 212 HG3 LYS 27 HG3 LYS 27 -0.423 4.076 -2.555 213 HD2 LYS 27 HD2 LYS 27 -3.035 5.651 -2.509 214 HD3 LYS 27 HD3 LYS 27 -1.777 5.709 -1.253 215 HE2 LYS 27 HE2 LYS 27 -0.135 6.467 -2.967 216 HE3 LYS 27 HE3 LYS 27 -1.433 6.483 -4.179 217 HZ1 LYS 27 HZ1 LYS 27 -1.326 8.105 -1.731 218 HZ2 LYS 27 HZ2 LYS 27 -1.080 8.643 -3.269 219 HZ3 LYS 27 HZ3 LYS 27 -2.570 8.102 -2.815 220 H ALA 28 H ALA 28 0.026 2.685 -6.624 221 HA ALA 28 HA ALA 28 -2.104 2.622 -8.550 222 HB1 ALA 28 HB1 ALA 28 -0.008 3.907 -8.836 223 HB2 ALA 28 HB2 ALA 28 0.911 2.384 -8.899 224 HB3 ALA 28 HB3 ALA 28 -0.266 2.767 -10.178 225 H LYS 29 H LYS 29 0.293 0.200 -7.385 226 HA LYS 29 HA LYS 29 -0.358 -1.669 -9.482 227 HB2 LYS 29 HB2 LYS 29 0.962 -2.081 -6.771 228 HB3 LYS 29 HB3 LYS 29 0.941 -3.266 -8.094 229 HG2 LYS 29 HG2 LYS 29 2.123 -0.465 -8.310 230 HG3 LYS 29 HG3 LYS 29 3.063 -1.930 -7.967 231 HD2 LYS 29 HD2 LYS 29 2.327 -2.913 -10.115 232 HD3 LYS 29 HD3 LYS 29 1.397 -1.436 -10.469 233 HE2 LYS 29 HE2 LYS 29 3.480 -0.100 -10.328 234 HE3 LYS 29 HE3 LYS 29 4.405 -1.578 -9.999 235 HZ1 LYS 29 HZ1 LYS 29 4.501 -0.948 -12.297 236 HZ2 LYS 29 HZ2 LYS 29 3.733 -2.400 -12.134 237 HZ3 LYS 29 HZ3 LYS 29 2.861 -1.030 -12.436 238 H ILE 30 H ILE 30 -1.791 -0.843 -6.379 239 HA ILE 30 HA ILE 30 -3.351 -3.342 -6.342 240 HB ILE 30 HB ILE 30 -3.298 -0.903 -4.518 241 HG12 ILE 30 HG12 ILE 30 -2.325 -3.766 -4.085 242 HG13 ILE 30 HG13 ILE 30 -1.276 -2.410 -4.550 243 HG21 ILE 30 HG21 ILE 30 -4.778 -3.564 -4.291 244 HG22 ILE 30 HG22 ILE 30 -4.652 -2.359 -2.990 245 HG23 ILE 30 HG23 ILE 30 -5.521 -1.959 -4.487 246 HD11 ILE 30 HD11 ILE 30 -1.035 -1.977 -2.352 247 HD12 ILE 30 HD12 ILE 30 -2.711 -1.405 -2.375 248 HD13 ILE 30 HD13 ILE 30 -2.361 -3.088 -1.915 249 H GLN 31 H GLN 31 -3.574 -0.031 -7.486 250 HA GLN 31 HA GLN 31 -6.415 0.177 -7.579 251 HB2 GLN 31 HB2 GLN 31 -4.829 2.067 -7.925 252 HB3 GLN 31 HB3 GLN 31 -4.303 1.325 -9.454 253 HG2 GLN 31 HG2 GLN 31 -6.659 1.442 -10.280 254 HG3 GLN 31 HG3 GLN 31 -7.120 2.267 -8.779 255 HE21 GLN 31 HE21 GLN 31 -6.294 4.669 -11.671 256 HE22 GLN 31 HE22 GLN 31 -7.200 3.174 -11.642 257 H ASP 32 H ASP 32 -3.986 -1.418 -9.609 258 HA ASP 32 HA ASP 32 -5.821 -1.991 -11.777 259 HB2 ASP 32 HB2 ASP 32 -3.399 -1.720 -12.117 260 HB3 ASP 32 HB3 ASP 32 -3.082 -3.096 -11.042 261 H LYS 33 H LYS 33 -4.848 -3.560 -8.753 262 HA LYS 33 HA LYS 33 -5.889 -6.138 -9.695 263 HB2 LYS 33 HB2 LYS 33 -3.723 -5.705 -8.308 264 HB3 LYS 33 HB3 LYS 33 -4.827 -5.533 -6.927 265 HG2 LYS 33 HG2 LYS 33 -4.120 -7.839 -6.998 266 HG3 LYS 33 HG3 LYS 33 -5.803 -7.803 -7.574 267 HD2 LYS 33 HD2 LYS 33 -5.008 -7.835 -9.914 268 HD3 LYS 33 HD3 LYS 33 -3.322 -7.799 -9.355 269 HE2 LYS 33 HE2 LYS 33 -3.640 -9.961 -8.217 270 HE3 LYS 33 HE3 LYS 33 -5.339 -9.993 -8.732 271 HZ1 LYS 33 HZ1 LYS 33 -3.960 -11.291 -10.172 272 HZ2 LYS 33 HZ2 LYS 33 -4.587 -10.011 -11.000 273 HZ3 LYS 33 HZ3 LYS 33 -3.008 -9.991 -10.522 274 H GLU 34 H GLU 34 -6.506 -3.810 -6.996 275 HA GLU 34 HA GLU 34 -8.921 -5.309 -6.269 276 HB2 GLU 34 HB2 GLU 34 -7.247 -4.279 -4.636 277 HB3 GLU 34 HB3 GLU 34 -7.883 -2.692 -5.118 278 HG2 GLU 34 HG2 GLU 34 -8.989 -3.555 -3.069 279 HG3 GLU 34 HG3 GLU 34 -10.141 -3.370 -4.405 280 H GLY 35 H GLY 35 -7.989 -2.620 -8.256 281 HA2 GLY 35 HA2 GLY 35 -9.314 -1.565 -9.833 282 HA3 GLY 35 HA3 GLY 35 -10.748 -2.333 -9.132 283 H ILE 36 H ILE 36 -9.424 -1.125 -6.429 284 HA ILE 36 HA ILE 36 -11.233 1.131 -6.386 285 HB ILE 36 HB ILE 36 -9.116 0.230 -4.397 286 HG12 ILE 36 HG12 ILE 36 -12.113 -0.328 -4.507 287 HG13 ILE 36 HG13 ILE 36 -10.847 -1.489 -4.956 288 HG21 ILE 36 HG21 ILE 36 -11.556 2.035 -4.078 289 HG22 ILE 36 HG22 ILE 36 -10.438 1.550 -2.781 290 HG23 ILE 36 HG23 ILE 36 -9.864 2.584 -4.104 291 HD11 ILE 36 HD11 ILE 36 -9.893 -1.299 -2.654 292 HD12 ILE 36 HD12 ILE 36 -11.246 -0.230 -2.210 293 HD13 ILE 36 HD13 ILE 36 -11.560 -1.920 -2.660 294 HA PRO 37 HA PRO 37 -8.280 3.946 -8.199 295 HB2 PRO 37 HB2 PRO 37 -10.237 5.974 -7.204 296 HB3 PRO 37 HB3 PRO 37 -9.583 5.748 -8.858 297 HG2 PRO 37 HG2 PRO 37 -12.139 5.011 -8.180 298 HG3 PRO 37 HG3 PRO 37 -11.158 4.086 -9.364 299 HD2 PRO 37 HD2 PRO 37 -11.743 3.450 -6.482 300 HD3 PRO 37 HD3 PRO 37 -11.563 2.346 -7.880 301 HA PRO 38 HA PRO 38 -6.011 5.677 -4.852 302 HB2 PRO 38 HB2 PRO 38 -5.930 8.342 -6.176 303 HB3 PRO 38 HB3 PRO 38 -4.572 7.261 -5.732 304 HG2 PRO 38 HG2 PRO 38 -5.404 7.608 -8.334 305 HG3 PRO 38 HG3 PRO 38 -4.747 6.052 -7.729 306 HD2 PRO 38 HD2 PRO 38 -7.609 6.838 -8.216 307 HD3 PRO 38 HD3 PRO 38 -6.808 5.255 -8.451 308 H ASP 39 H ASP 39 -5.958 7.493 -3.217 309 HA ASP 39 HA ASP 39 -6.882 8.948 -1.759 310 HB2 ASP 39 HB2 ASP 39 -7.535 10.213 -3.842 311 HB3 ASP 39 HB3 ASP 39 -9.123 9.421 -3.748 312 H GLN 40 H GLN 40 -9.202 6.745 -3.361 313 HA GLN 40 HA GLN 40 -11.003 6.592 -1.125 314 HB2 GLN 40 HB2 GLN 40 -10.437 4.771 -3.500 315 HB3 GLN 40 HB3 GLN 40 -11.744 4.488 -2.326 316 HG2 GLN 40 HG2 GLN 40 -12.726 6.674 -2.841 317 HG3 GLN 40 HG3 GLN 40 -11.392 7.040 -3.950 318 HE21 GLN 40 HE21 GLN 40 -13.267 5.806 -6.637 319 HE22 GLN 40 HE22 GLN 40 -12.284 7.082 -5.952 320 H GLN 41 H GLN 41 -7.827 5.460 -1.734 321 HA GLN 41 HA GLN 41 -8.049 3.475 0.471 322 HB2 GLN 41 HB2 GLN 41 -6.175 2.306 -0.584 323 HB3 GLN 41 HB3 GLN 41 -7.502 2.501 -1.752 324 HG2 GLN 41 HG2 GLN 41 -6.350 4.572 -2.612 325 HG3 GLN 41 HG3 GLN 41 -4.983 4.205 -1.541 326 HE21 GLN 41 HE21 GLN 41 -5.626 2.052 -5.008 327 HE22 GLN 41 HE22 GLN 41 -6.851 3.128 -4.375 328 H ARG 42 H ARG 42 -6.173 3.345 1.891 329 HA ARG 42 HA ARG 42 -4.311 5.646 1.880 330 HB2 ARG 42 HB2 ARG 42 -6.398 4.996 3.976 331 HB3 ARG 42 HB3 ARG 42 -4.879 5.800 4.429 332 HG2 ARG 42 HG2 ARG 42 -5.321 7.681 3.039 333 HG3 ARG 42 HG3 ARG 42 -6.639 6.848 2.185 334 HD2 ARG 42 HD2 ARG 42 -6.744 7.375 5.169 335 HD3 ARG 42 HD3 ARG 42 -7.320 8.556 3.975 336 HE ARG 42 HE ARG 42 -8.920 6.877 3.169 337 HH11 ARG 42 HH11 ARG 42 -7.467 6.391 6.361 338 HH12 ARG 42 HH12 ARG 42 -8.764 5.368 6.936 339 HH21 ARG 42 HH21 ARG 42 -10.619 5.530 3.934 340 HH22 ARG 42 HH22 ARG 42 -10.560 4.883 5.558 341 H LEU 43 H LEU 43 -2.332 5.145 2.869 342 HA LEU 43 HA LEU 43 -2.045 2.271 3.612 343 HB2 LEU 43 HB2 LEU 43 -0.320 4.265 2.134 344 HB3 LEU 43 HB3 LEU 43 0.422 2.869 2.940 345 HG LEU 43 HG LEU 43 -1.864 2.616 0.949 346 HD11 LEU 43 HD11 LEU 43 -0.126 1.925 -0.664 347 HD12 LEU 43 HD12 LEU 43 0.149 3.596 -0.119 348 HD13 LEU 43 HD13 LEU 43 1.139 2.272 0.540 349 HD21 LEU 43 HD21 LEU 43 -1.067 0.251 0.878 350 HD22 LEU 43 HD22 LEU 43 0.131 0.632 2.135 351 HD23 LEU 43 HD23 LEU 43 -1.606 0.715 2.507 352 H ALA 44 H ALA 44 -0.487 1.711 5.219 353 HA ALA 44 HA ALA 44 0.781 3.728 6.861 354 HB1 ALA 44 HB1 ALA 44 -1.529 2.097 7.998 355 HB2 ALA 44 HB2 ALA 44 -0.420 3.120 8.941 356 HB3 ALA 44 HB3 ALA 44 -1.519 3.860 7.754 357 H PHE 45 H PHE 45 1.905 2.577 8.764 358 HA PHE 45 HA PHE 45 2.254 -0.318 8.353 359 HB2 PHE 45 HB2 PHE 45 3.935 0.866 6.925 360 HB3 PHE 45 HB3 PHE 45 4.595 1.614 8.385 361 HD1 PHE 45 HD1 PHE 45 5.369 -0.021 10.278 362 HD2 PHE 45 HD2 PHE 45 4.708 -1.230 6.208 363 HE1 PHE 45 HE1 PHE 45 6.795 -2.017 10.637 364 HE2 PHE 45 HE2 PHE 45 6.143 -3.217 6.564 365 HZ PHE 45 HZ PHE 45 7.195 -3.607 8.778 366 H ALA 46 H ALA 46 1.814 -1.127 10.319 367 HA ALA 46 HA ALA 46 1.717 -1.359 12.577 368 HB1 ALA 46 HB1 ALA 46 4.141 -1.699 12.227 369 HB2 ALA 46 HB2 ALA 46 4.414 0.042 12.480 370 HB3 ALA 46 HB3 ALA 46 3.791 -0.964 13.808 371 H GLY 47 H GLY 47 0.785 1.243 11.243 372 HA2 GLY 47 HA2 GLY 47 -0.670 2.746 12.381 373 HA3 GLY 47 HA3 GLY 47 0.409 2.713 13.789 374 H LYS 48 H LYS 48 2.654 2.880 11.498 375 HA LYS 48 HA LYS 48 2.938 5.766 11.725 376 HB2 LYS 48 HB2 LYS 48 4.537 3.710 10.145 377 HB3 LYS 48 HB3 LYS 48 5.023 5.387 10.478 378 HG2 LYS 48 HG2 LYS 48 4.988 4.919 12.908 379 HG3 LYS 48 HG3 LYS 48 4.502 3.238 12.581 380 HD2 LYS 48 HD2 LYS 48 6.587 2.859 11.327 381 HD3 LYS 48 HD3 LYS 48 7.068 4.552 11.587 382 HE2 LYS 48 HE2 LYS 48 7.079 4.192 14.024 383 HE3 LYS 48 HE3 LYS 48 6.556 2.511 13.791 384 HZ1 LYS 48 HZ1 LYS 48 8.581 2.089 12.626 385 HZ2 LYS 48 HZ2 LYS 48 9.062 3.659 12.773 386 HZ3 LYS 48 HZ3 LYS 48 8.925 2.710 14.115 387 H GLN 49 H GLN 49 2.111 7.231 10.342 388 HA GLN 49 HA GLN 49 0.576 6.397 8.061 389 HB2 GLN 49 HB2 GLN 49 0.264 8.804 7.708 390 HB3 GLN 49 HB3 GLN 49 0.061 8.400 9.427 391 HG2 GLN 49 HG2 GLN 49 2.442 9.086 9.820 392 HG3 GLN 49 HG3 GLN 49 2.546 9.586 8.119 393 HE21 GLN 49 HE21 GLN 49 1.605 12.819 9.159 394 HE22 GLN 49 HE22 GLN 49 2.834 11.793 8.455 395 H LEU 50 H LEU 50 1.049 6.502 5.870 396 HA LEU 50 HA LEU 50 3.903 7.057 5.204 397 HB2 LEU 50 HB2 LEU 50 1.858 5.314 3.769 398 HB3 LEU 50 HB3 LEU 50 3.543 5.571 3.267 399 HG LEU 50 HG LEU 50 2.650 4.323 5.910 400 HD11 LEU 50 HD11 LEU 50 3.941 3.118 3.426 401 HD12 LEU 50 HD12 LEU 50 3.573 2.251 4.936 402 HD13 LEU 50 HD13 LEU 50 2.252 2.886 3.932 403 HD21 LEU 50 HD21 LEU 50 5.355 4.974 4.689 404 HD22 LEU 50 HD22 LEU 50 4.742 5.397 6.298 405 HD23 LEU 50 HD23 LEU 50 5.158 3.707 5.934 406 H GLU 51 H GLU 51 4.298 8.205 3.180 407 HA GLU 51 HA GLU 51 1.959 9.550 1.996 408 HB2 GLU 51 HB2 GLU 51 2.661 10.949 3.922 409 HB3 GLU 51 HB3 GLU 51 4.300 11.052 3.245 410 HG2 GLU 51 HG2 GLU 51 3.474 12.224 1.283 411 HG3 GLU 51 HG3 GLU 51 1.790 11.949 1.775 412 H ASP 52 H ASP 52 2.507 10.632 -0.037 413 HA ASP 52 HA ASP 52 4.597 9.161 -1.465 414 HB2 ASP 52 HB2 ASP 52 3.631 10.293 -3.438 415 HB3 ASP 52 HB3 ASP 52 2.388 9.466 -2.479 416 H GLY 53 H GLY 53 6.086 10.351 -2.940 417 HA2 GLY 53 HA2 GLY 53 7.241 12.358 -3.524 418 HA3 GLY 53 HA3 GLY 53 6.829 13.047 -1.941 419 H ARG 54 H ARG 54 7.648 9.839 -1.403 420 HA ARG 54 HA ARG 54 10.546 10.430 -1.159 421 HB2 ARG 54 HB2 ARG 54 9.468 11.014 0.978 422 HB3 ARG 54 HB3 ARG 54 8.721 9.406 1.054 423 HG2 ARG 54 HG2 ARG 54 10.939 8.353 1.173 424 HG3 ARG 54 HG3 ARG 54 11.721 9.943 1.002 425 HD2 ARG 54 HD2 ARG 54 10.706 10.697 3.102 426 HD3 ARG 54 HD3 ARG 54 9.823 9.165 3.254 427 HE ARG 54 HE ARG 54 12.657 8.709 3.025 428 HH11 ARG 54 HH11 ARG 54 10.146 9.802 5.263 429 HH12 ARG 54 HH12 ARG 54 10.982 9.236 6.691 430 HH21 ARG 54 HH21 ARG 54 13.762 7.977 4.901 431 HH22 ARG 54 HH22 ARG 54 13.057 8.200 6.487 432 H THR 55 H THR 55 11.877 8.548 -1.017 433 HA THR 55 HA THR 55 11.074 6.297 -2.556 434 HB THR 55 HB THR 55 13.313 6.585 -0.501 435 HG1 THR 55 HG1 THR 55 14.503 7.202 -2.373 436 HG21 THR 55 HG21 THR 55 14.446 4.875 -1.834 437 HG22 THR 55 HG22 THR 55 12.867 4.255 -1.295 438 HG23 THR 55 HG23 THR 55 13.081 4.822 -2.970 439 H LEU 56 H LEU 56 9.636 4.745 -1.955 440 HA LEU 56 HA LEU 56 8.578 4.631 0.656 441 HB2 LEU 56 HB2 LEU 56 7.381 2.646 -0.130 442 HB3 LEU 56 HB3 LEU 56 7.390 3.914 -1.366 443 HG LEU 56 HG LEU 56 9.580 2.588 -2.183 444 HD11 LEU 56 HD11 LEU 56 9.452 0.904 -0.344 445 HD12 LEU 56 HD12 LEU 56 7.817 0.462 -0.885 446 HD13 LEU 56 HD13 LEU 56 9.217 0.155 -1.938 447 HD21 LEU 56 HD21 LEU 56 6.687 1.754 -2.667 448 HD22 LEU 56 HD22 LEU 56 7.560 3.048 -3.518 449 HD23 LEU 56 HD23 LEU 56 8.059 1.353 -3.725 450 H SER 57 H SER 57 11.294 2.873 -0.834 451 HA SER 57 HA SER 57 11.450 0.876 1.214 452 HB2 SER 57 HB2 SER 57 13.563 1.956 -0.695 453 HB3 SER 57 HB3 SER 57 13.685 0.448 0.243 454 HG SER 57 HG SER 57 12.906 0.121 -1.898 455 H ASP 58 H ASP 58 12.438 4.232 1.037 456 HA ASP 58 HA ASP 58 14.270 3.911 3.336 457 HB2 ASP 58 HB2 ASP 58 14.920 5.352 1.425 458 HB3 ASP 58 HB3 ASP 58 13.483 6.357 1.705 459 H TYR 59 H TYR 59 10.972 4.613 2.586 460 HA TYR 59 HA TYR 59 10.440 6.383 4.773 461 HB2 TYR 59 HB2 TYR 59 9.145 5.775 2.524 462 HB3 TYR 59 HB3 TYR 59 8.302 4.646 3.589 463 HD1 TYR 59 HD1 TYR 59 7.752 7.561 2.074 464 HD2 TYR 59 HD2 TYR 59 8.064 6.106 6.107 465 HE1 TYR 59 HE1 TYR 59 6.338 9.441 2.857 466 HE2 TYR 59 HE2 TYR 59 6.636 7.971 6.896 467 HH TYR 59 HH TYR 59 5.454 9.843 6.312 468 H ASN 60 H ASN 60 9.186 3.030 4.285 469 HA ASN 60 HA ASN 60 9.920 2.289 7.020 470 HB2 ASN 60 HB2 ASN 60 7.079 2.897 6.170 471 HB3 ASN 60 HB3 ASN 60 7.408 1.645 7.381 472 HD21 ASN 60 HD21 ASN 60 7.132 5.391 8.639 473 HD22 ASN 60 HD22 ASN 60 6.452 4.746 7.164 474 H ILE 61 H ILE 61 8.673 1.638 3.799 475 HA ILE 61 HA ILE 61 7.801 -1.021 4.109 476 HB ILE 61 HB ILE 61 8.984 0.538 1.785 477 HG12 ILE 61 HG12 ILE 61 6.610 0.016 0.932 478 HG13 ILE 61 HG13 ILE 61 6.237 -0.517 2.585 479 HG21 ILE 61 HG21 ILE 61 8.321 -1.396 0.358 480 HG22 ILE 61 HG22 ILE 61 9.647 -1.806 1.467 481 HG23 ILE 61 HG23 ILE 61 7.987 -2.342 1.827 482 HD11 ILE 61 HD11 ILE 61 5.649 1.906 2.049 483 HD12 ILE 61 HD12 ILE 61 6.715 1.700 3.463 484 HD13 ILE 61 HD13 ILE 61 7.387 2.221 1.905 485 H GLN 62 H GLN 62 8.801 -2.975 4.212 486 HA GLN 62 HA GLN 62 11.747 -3.057 3.854 487 HB2 GLN 62 HB2 GLN 62 10.110 -3.976 6.233 488 HB3 GLN 62 HB3 GLN 62 11.699 -4.685 5.858 489 HG2 GLN 62 HG2 GLN 62 12.761 -2.493 5.971 490 HG3 GLN 62 HG3 GLN 62 11.189 -1.704 6.198 491 HE21 GLN 62 HE21 GLN 62 11.552 -1.835 9.673 492 HE22 GLN 62 HE22 GLN 62 11.125 -0.931 8.237 493 H LYS 63 H LYS 63 12.463 -5.438 3.744 494 HA LYS 63 HA LYS 63 11.046 -6.626 1.583 495 HB2 LYS 63 HB2 LYS 63 12.681 -8.468 1.856 496 HB3 LYS 63 HB3 LYS 63 13.448 -6.869 1.833 497 HG2 LYS 63 HG2 LYS 63 13.572 -6.896 4.314 498 HG3 LYS 63 HG3 LYS 63 12.831 -8.516 4.323 499 HD2 LYS 63 HD2 LYS 63 14.701 -9.383 2.958 500 HD3 LYS 63 HD3 LYS 63 15.452 -7.770 2.959 501 HE2 LYS 63 HE2 LYS 63 15.614 -7.838 5.419 502 HE3 LYS 63 HE3 LYS 63 14.832 -9.431 5.438 503 HZ1 LYS 63 HZ1 LYS 63 17.229 -9.553 5.575 504 HZ2 LYS 63 HZ2 LYS 63 16.663 -10.306 4.221 505 HZ3 LYS 63 HZ3 LYS 63 17.378 -8.823 4.106 506 H GLU 64 H GLU 64 9.316 -7.894 1.549 507 HA GLU 64 HA GLU 64 7.554 -9.126 2.295 508 HB2 GLU 64 HB2 GLU 64 9.902 -10.585 3.568 509 HB3 GLU 64 HB3 GLU 64 8.259 -11.243 3.421 510 HG2 GLU 64 HG2 GLU 64 9.370 -12.098 1.533 511 HG3 GLU 64 HG3 GLU 64 8.446 -10.723 0.901 512 H SER 65 H SER 65 7.853 -6.777 3.883 513 HA SER 65 HA SER 65 7.117 -7.817 6.579 514 HB2 SER 65 HB2 SER 65 7.847 -5.034 5.582 515 HB3 SER 65 HB3 SER 65 7.283 -5.396 7.231 516 HG SER 65 HG SER 65 9.554 -5.406 7.109 517 H THR 66 H THR 66 5.099 -7.089 7.518 518 HA THR 66 HA THR 66 3.009 -6.998 5.509 519 HB THR 66 HB THR 66 2.834 -6.853 8.548 520 HG1 THR 66 HG1 THR 66 2.533 -9.130 8.305 521 HG21 THR 66 HG21 THR 66 0.582 -7.818 8.159 522 HG22 THR 66 HG22 THR 66 0.753 -6.239 7.360 523 HG23 THR 66 HG23 THR 66 0.853 -7.735 6.402 524 H LEU 67 H LEU 67 1.830 -5.287 4.839 525 HA LEU 67 HA LEU 67 2.340 -2.650 6.125 526 HB2 LEU 67 HB2 LEU 67 1.549 -3.561 3.352 527 HB3 LEU 67 HB3 LEU 67 1.085 -1.946 3.920 528 HG LEU 67 HG LEU 67 3.526 -1.573 4.550 529 HD11 LEU 67 HD11 LEU 67 3.828 -4.054 2.799 530 HD12 LEU 67 HD12 LEU 67 5.160 -2.978 3.279 531 HD13 LEU 67 HD13 LEU 67 4.287 -3.912 4.512 532 HD21 LEU 67 HD21 LEU 67 2.801 -2.059 1.630 533 HD22 LEU 67 HD22 LEU 67 2.457 -0.582 2.562 534 HD23 LEU 67 HD23 LEU 67 4.139 -1.038 2.209 535 H HIS 68 H HIS 68 0.287 -1.162 5.815 536 HA HIS 68 HA HIS 68 -2.151 -2.699 6.558 537 HB2 HIS 68 HB2 HIS 68 -1.182 -1.793 8.598 538 HB3 HIS 68 HB3 HIS 68 -1.008 -0.199 7.851 539 HD1 HIS 68 HD1 HIS 68 -4.302 -1.998 7.259 540 HD2 HIS 68 HD2 HIS 68 -2.566 0.882 9.787 541 HE1 HIS 68 HE1 HIS 68 -6.231 -0.805 8.438 542 H LEU 69 H LEU 69 -3.915 -2.144 5.390 543 HA LEU 69 HA LEU 69 -3.787 0.399 3.840 544 HB2 LEU 69 HB2 LEU 69 -3.350 -1.649 2.465 545 HB3 LEU 69 HB3 LEU 69 -4.922 -2.289 2.979 546 HG LEU 69 HG LEU 69 -5.946 -0.131 2.016 547 HD11 LEU 69 HD11 LEU 69 -3.225 -0.047 0.640 548 HD12 LEU 69 HD12 LEU 69 -4.609 1.019 0.308 549 HD13 LEU 69 HD13 LEU 69 -3.771 1.110 1.873 550 HD21 LEU 69 HD21 LEU 69 -5.939 -1.053 -0.262 551 HD22 LEU 69 HD22 LEU 69 -4.516 -2.048 0.129 552 HD23 LEU 69 HD23 LEU 69 -6.071 -2.359 0.934 553 H ALA 70 H ALA 70 -5.731 1.520 3.603 554 HA ALA 70 HA ALA 70 -8.085 0.456 5.090 555 HB1 ALA 70 HB1 ALA 70 -7.298 2.112 6.563 556 HB2 ALA 70 HB2 ALA 70 -6.728 3.161 5.233 557 HB3 ALA 70 HB3 ALA 70 -8.467 2.991 5.564 558 H LEU 71 H LEU 71 -10.079 0.871 4.105 559 HA LEU 71 HA LEU 71 -9.892 2.064 1.373 560 HB2 LEU 71 HB2 LEU 71 -11.486 -0.329 2.385 561 HB3 LEU 71 HB3 LEU 71 -11.773 0.463 0.833 562 HG LEU 71 HG LEU 71 -10.436 -1.382 0.293 563 HD11 LEU 71 HD11 LEU 71 -9.654 0.783 -0.679 564 HD12 LEU 71 HD12 LEU 71 -8.454 0.900 0.630 565 HD13 LEU 71 HD13 LEU 71 -8.367 -0.435 -0.537 566 HD21 LEU 71 HD21 LEU 71 -8.879 -0.718 2.797 567 HD22 LEU 71 HD22 LEU 71 -9.639 -2.237 2.314 568 HD23 LEU 71 HD23 LEU 71 -8.156 -1.699 1.495 569 H ARG 72 H ARG 72 -12.242 2.538 0.567 570 HA ARG 72 HA ARG 72 -13.382 4.487 2.383 571 HB2 ARG 72 HB2 ARG 72 -14.965 4.854 0.514 572 HB3 ARG 72 HB3 ARG 72 -13.281 4.851 -0.058 573 HG2 ARG 72 HG2 ARG 72 -13.510 2.503 -0.775 574 HG3 ARG 72 HG3 ARG 72 -15.177 2.462 -0.169 575 HD2 ARG 72 HD2 ARG 72 -14.159 4.347 -2.329 576 HD3 ARG 72 HD3 ARG 72 -15.034 2.834 -2.637 577 HE ARG 72 HE ARG 72 -16.600 4.347 -0.853 578 HH11 ARG 72 HH11 ARG 72 -15.321 4.637 -4.127 579 HH12 ARG 72 HH12 ARG 72 -16.666 5.584 -4.722 580 HH21 ARG 72 HH21 ARG 72 -18.385 5.571 -1.627 581 HH22 ARG 72 HH22 ARG 72 -18.417 6.117 -3.292 582 H LEU 73 H LEU 73 -15.852 4.486 2.695 583 HA LEU 73 HA LEU 73 -16.668 1.826 3.695 584 HB2 LEU 73 HB2 LEU 73 -17.902 4.599 3.967 585 HB3 LEU 73 HB3 LEU 73 -18.522 3.124 4.737 586 HG LEU 73 HG LEU 73 -15.748 4.313 5.191 587 HD11 LEU 73 HD11 LEU 73 -16.646 4.871 7.432 588 HD12 LEU 73 HD12 LEU 73 -17.558 5.693 6.145 589 HD13 LEU 73 HD13 LEU 73 -18.243 4.258 6.942 590 HD21 LEU 73 HD21 LEU 73 -15.675 2.654 7.055 591 HD22 LEU 73 HD22 LEU 73 -17.226 1.984 6.494 592 HD23 LEU 73 HD23 LEU 73 -15.778 1.869 5.464 593 H ARG 74 H ARG 74 -19.073 1.301 3.320 594 HA ARG 74 HA ARG 74 -19.517 1.062 0.511 595 HB2 ARG 74 HB2 ARG 74 -20.339 -0.519 2.263 596 HB3 ARG 74 HB3 ARG 74 -21.490 0.723 2.805 597 HG2 ARG 74 HG2 ARG 74 -22.598 0.721 0.636 598 HG3 ARG 74 HG3 ARG 74 -21.347 -0.344 -0.046 599 HD2 ARG 74 HD2 ARG 74 -23.337 -1.656 0.491 600 HD3 ARG 74 HD3 ARG 74 -21.995 -2.121 1.556 601 HE ARG 74 HE ARG 74 -23.983 -0.124 2.500 602 HH11 ARG 74 HH11 ARG 74 -22.587 -3.371 2.673 603 HH12 ARG 74 HH12 ARG 74 -23.338 -3.759 4.200 604 HH21 ARG 74 HH21 ARG 74 -24.955 -0.625 4.514 605 HH22 ARG 74 HH22 ARG 74 -24.710 -2.198 5.246 606 H GLY 75 H GLY 75 -20.552 3.397 2.984 607 HA2 GLY 75 HA2 GLY 75 -21.180 5.610 2.504 608 HA3 GLY 75 HA3 GLY 75 -21.558 5.146 0.831 609 H GLY 76 H GLY 76 -22.842 2.739 2.689 610 HA2 GLY 76 HA2 GLY 76 -25.067 3.624 4.026 611 HA3 GLY 76 HA3 GLY 76 -25.554 3.676 2.315 Start of MODEL 17 1 H1 MET 1 H MET 1 11.607 -8.489 -0.736 2 HA MET 1 HA MET 1 12.177 -8.287 -3.633 3 HB2 MET 1 HB2 MET 1 12.811 -10.473 -2.622 4 HB3 MET 1 HB3 MET 1 11.125 -10.691 -2.100 5 HG2 MET 1 HG2 MET 1 10.378 -10.530 -4.437 6 HG3 MET 1 HG3 MET 1 12.041 -10.272 -4.975 7 HE1 MET 1 HE1 MET 1 13.713 -13.619 -4.971 8 HE2 MET 1 HE2 MET 1 13.561 -12.016 -5.726 9 HE3 MET 1 HE3 MET 1 13.973 -12.151 -4.000 10 H GLN 2 H GLN 2 9.580 -9.291 -1.319 11 HA GLN 2 HA GLN 2 7.668 -7.715 -2.974 12 HB2 GLN 2 HB2 GLN 2 7.404 -10.552 -1.911 13 HB3 GLN 2 HB3 GLN 2 6.001 -9.566 -2.378 14 HG2 GLN 2 HG2 GLN 2 6.919 -9.283 -4.642 15 HG3 GLN 2 HG3 GLN 2 8.349 -10.235 -4.195 16 HE21 GLN 2 HE21 GLN 2 5.224 -12.157 -5.712 17 HE22 GLN 2 HE22 GLN 2 5.622 -10.471 -5.949 18 H ILE 3 H ILE 3 5.519 -7.531 -1.616 19 HA ILE 3 HA ILE 3 6.106 -7.313 1.277 20 HB ILE 3 HB ILE 3 5.141 -5.047 1.335 21 HG12 ILE 3 HG12 ILE 3 5.213 -5.232 -1.705 22 HG13 ILE 3 HG13 ILE 3 3.735 -5.304 -0.724 23 HG21 ILE 3 HG21 ILE 3 7.074 -3.884 0.408 24 HG22 ILE 3 HG22 ILE 3 7.609 -5.436 1.081 25 HG23 ILE 3 HG23 ILE 3 7.421 -5.248 -0.678 26 HD11 ILE 3 HD11 ILE 3 4.365 -3.022 -1.753 27 HD12 ILE 3 HD12 ILE 3 3.974 -3.038 -0.011 28 HD13 ILE 3 HD13 ILE 3 5.664 -2.963 -0.557 29 H PHE 4 H PHE 4 3.881 -6.619 2.398 30 HA PHE 4 HA PHE 4 1.679 -8.061 1.008 31 HB2 PHE 4 HB2 PHE 4 2.674 -8.443 3.849 32 HB3 PHE 4 HB3 PHE 4 1.137 -9.070 3.240 33 HD1 PHE 4 HD1 PHE 4 1.031 -11.004 1.825 34 HD2 PHE 4 HD2 PHE 4 4.825 -9.335 2.961 35 HE1 PHE 4 HE1 PHE 4 2.179 -13.030 0.969 36 HE2 PHE 4 HE2 PHE 4 5.972 -11.357 2.093 37 HZ PHE 4 HZ PHE 4 4.649 -13.200 1.092 38 H VAL 5 H VAL 5 0.049 -6.691 0.749 39 HA VAL 5 HA VAL 5 -0.429 -4.626 2.843 40 HB VAL 5 HB VAL 5 -1.421 -4.828 -0.035 41 HG11 VAL 5 HG11 VAL 5 -2.206 -2.510 0.363 42 HG12 VAL 5 HG12 VAL 5 -2.997 -3.657 1.468 43 HG13 VAL 5 HG13 VAL 5 -1.672 -2.623 2.056 44 HG21 VAL 5 HG21 VAL 5 0.094 -2.894 -0.409 45 HG22 VAL 5 HG22 VAL 5 0.673 -3.033 1.266 46 HG23 VAL 5 HG23 VAL 5 0.994 -4.340 0.101 47 H LYS 6 H LYS 6 -2.114 -4.979 4.208 48 HA LYS 6 HA LYS 6 -4.026 -7.120 3.430 49 HB2 LYS 6 HB2 LYS 6 -2.586 -7.493 5.436 50 HB3 LYS 6 HB3 LYS 6 -3.338 -6.075 6.205 51 HG2 LYS 6 HG2 LYS 6 -5.516 -7.122 6.157 52 HG3 LYS 6 HG3 LYS 6 -4.917 -8.438 5.117 53 HD2 LYS 6 HD2 LYS 6 -3.383 -9.150 6.945 54 HD3 LYS 6 HD3 LYS 6 -4.085 -7.895 7.997 55 HE2 LYS 6 HE2 LYS 6 -6.306 -8.925 7.776 56 HE3 LYS 6 HE3 LYS 6 -5.658 -10.127 6.641 57 HZ1 LYS 6 HZ1 LYS 6 -4.253 -10.935 8.392 58 HZ2 LYS 6 HZ2 LYS 6 -4.861 -9.823 9.451 59 HZ3 LYS 6 HZ3 LYS 6 -5.836 -11.007 8.844 60 H THR 7 H THR 7 -5.962 -6.441 2.768 61 HA THR 7 HA THR 7 -6.746 -3.679 2.981 62 HB THR 7 HB THR 7 -8.767 -4.457 1.821 63 HG1 THR 7 HG1 THR 7 -9.057 -6.675 1.523 64 HG21 THR 7 HG21 THR 7 -7.703 -5.501 -0.145 65 HG22 THR 7 HG22 THR 7 -6.675 -4.203 0.502 66 HG23 THR 7 HG23 THR 7 -6.270 -5.904 0.828 67 H ALA 8 H ALA 8 -9.182 -3.284 3.644 68 HA ALA 8 HA ALA 8 -9.409 -4.025 6.476 69 HB1 ALA 8 HB1 ALA 8 -11.294 -2.431 6.443 70 HB2 ALA 8 HB2 ALA 8 -9.830 -1.701 5.741 71 HB3 ALA 8 HB3 ALA 8 -11.137 -2.275 4.677 72 H THR 9 H THR 9 -10.213 -5.476 3.555 73 HA THR 9 HA THR 9 -12.866 -6.419 4.443 74 HB THR 9 HB THR 9 -12.948 -7.415 2.163 75 HG1 THR 9 HG1 THR 9 -11.240 -6.790 0.745 76 HG21 THR 9 HG21 THR 9 -12.111 -4.483 2.236 77 HG22 THR 9 HG22 THR 9 -13.059 -5.270 0.952 78 HG23 THR 9 HG23 THR 9 -13.743 -5.101 2.586 79 H GLY 10 H GLY 10 -9.679 -7.276 4.971 80 HA2 GLY 10 HA2 GLY 10 -9.081 -9.163 6.245 81 HA3 GLY 10 HA3 GLY 10 -10.505 -10.031 5.637 82 H LYS 11 H LYS 11 -9.286 -8.596 2.925 83 HA LYS 11 HA LYS 11 -7.948 -11.078 2.106 84 HB2 LYS 11 HB2 LYS 11 -8.720 -8.535 0.625 85 HB3 LYS 11 HB3 LYS 11 -7.907 -9.927 -0.126 86 HG2 LYS 11 HG2 LYS 11 -9.795 -11.389 0.617 87 HG3 LYS 11 HG3 LYS 11 -10.636 -9.945 1.231 88 HD2 LYS 11 HD2 LYS 11 -10.613 -8.962 -1.035 89 HD3 LYS 11 HD3 LYS 11 -9.730 -10.378 -1.649 90 HE2 LYS 11 HE2 LYS 11 -11.614 -11.832 -0.966 91 HE3 LYS 11 HE3 LYS 11 -12.518 -10.409 -0.410 92 HZ1 LYS 11 HZ1 LYS 11 -12.692 -11.420 -2.837 93 HZ2 LYS 11 HZ2 LYS 11 -12.962 -9.818 -2.506 94 HZ3 LYS 11 HZ3 LYS 11 -11.509 -10.316 -3.101 95 H THR 12 H THR 12 -5.809 -11.365 1.881 96 HA THR 12 HA THR 12 -4.037 -9.040 2.376 97 HB THR 12 HB THR 12 -3.343 -11.999 2.256 98 HG1 THR 12 HG1 THR 12 -3.493 -11.876 4.522 99 HG21 THR 12 HG21 THR 12 -1.951 -9.574 3.477 100 HG22 THR 12 HG22 THR 12 -1.374 -11.255 3.568 101 HG23 THR 12 HG23 THR 12 -1.451 -10.426 1.997 102 H ILE 13 H ILE 13 -2.522 -8.388 0.823 103 HA ILE 13 HA ILE 13 -2.732 -9.773 -1.804 104 HB ILE 13 HB ILE 13 -2.561 -6.773 -1.350 105 HG12 ILE 13 HG12 ILE 13 -4.946 -8.490 -2.164 106 HG13 ILE 13 HG13 ILE 13 -4.736 -7.702 -0.585 107 HG21 ILE 13 HG21 ILE 13 -3.014 -6.668 -3.766 108 HG22 ILE 13 HG22 ILE 13 -1.567 -7.651 -3.463 109 HG23 ILE 13 HG23 ILE 13 -3.114 -8.443 -3.842 110 HD11 ILE 13 HD11 ILE 13 -4.948 -6.298 -3.281 111 HD12 ILE 13 HD12 ILE 13 -6.177 -6.324 -1.998 112 HD13 ILE 13 HD13 ILE 13 -4.631 -5.487 -1.727 113 H THR 14 H THR 14 -0.806 -10.692 -2.191 114 HA THR 14 HA THR 14 1.688 -9.651 -1.140 115 HB THR 14 HB THR 14 1.179 -11.625 -3.405 116 HG1 THR 14 HG1 THR 14 1.538 -12.052 -0.621 117 HG21 THR 14 HG21 THR 14 3.489 -10.744 -3.274 118 HG22 THR 14 HG22 THR 14 3.560 -11.180 -1.550 119 HG23 THR 14 HG23 THR 14 3.430 -12.453 -2.787 120 H LEU 15 H LEU 15 2.723 -7.887 -1.939 121 HA LEU 15 HA LEU 15 2.052 -7.103 -4.732 122 HB2 LEU 15 HB2 LEU 15 1.161 -5.758 -2.672 123 HB3 LEU 15 HB3 LEU 15 2.829 -5.170 -2.547 124 HG LEU 15 HG LEU 15 2.665 -4.450 -4.973 125 HD11 LEU 15 HD11 LEU 15 0.342 -4.226 -5.879 126 HD12 LEU 15 HD12 LEU 15 0.824 -5.923 -5.675 127 HD13 LEU 15 HD13 LEU 15 -0.263 -5.158 -4.492 128 HD21 LEU 15 HD21 LEU 15 0.624 -3.304 -3.022 129 HD22 LEU 15 HD22 LEU 15 2.350 -2.881 -3.091 130 HD23 LEU 15 HD23 LEU 15 1.278 -2.465 -4.448 131 H GLU 16 H GLU 16 3.671 -5.894 -5.889 132 HA GLU 16 HA GLU 16 6.420 -6.030 -4.806 133 HB2 GLU 16 HB2 GLU 16 6.104 -8.020 -6.247 134 HB3 GLU 16 HB3 GLU 16 5.572 -6.968 -7.578 135 HG2 GLU 16 HG2 GLU 16 7.760 -5.815 -7.544 136 HG3 GLU 16 HG3 GLU 16 8.285 -6.843 -6.195 137 H VAL 17 H VAL 17 7.166 -3.972 -4.836 138 HA VAL 17 HA VAL 17 6.126 -2.195 -6.999 139 HB VAL 17 HB VAL 17 6.179 -0.371 -5.321 140 HG11 VAL 17 HG11 VAL 17 4.574 -2.826 -4.487 141 HG12 VAL 17 HG12 VAL 17 4.241 -1.158 -3.977 142 HG13 VAL 17 HG13 VAL 17 4.086 -1.608 -5.689 143 HG21 VAL 17 HG21 VAL 17 7.929 -1.309 -3.844 144 HG22 VAL 17 HG22 VAL 17 6.452 -0.936 -2.929 145 HG23 VAL 17 HG23 VAL 17 6.825 -2.620 -3.363 146 H GLU 18 H GLU 18 7.541 -0.353 -7.517 147 HA GLU 18 HA GLU 18 10.353 -1.176 -7.542 148 HB2 GLU 18 HB2 GLU 18 8.796 1.133 -8.760 149 HB3 GLU 18 HB3 GLU 18 10.556 0.947 -8.917 150 HG2 GLU 18 HG2 GLU 18 9.491 -0.005 -10.882 151 HG3 GLU 18 HG3 GLU 18 10.206 -1.310 -9.920 152 HA PRO 19 HA PRO 19 11.112 0.804 -3.714 153 HB2 PRO 19 HB2 PRO 19 13.915 1.028 -4.754 154 HB3 PRO 19 HB3 PRO 19 13.333 0.337 -3.205 155 HG2 PRO 19 HG2 PRO 19 14.104 -1.243 -5.304 156 HG3 PRO 19 HG3 PRO 19 12.753 -1.701 -4.216 157 HD2 PRO 19 HD2 PRO 19 12.645 -0.601 -7.004 158 HD3 PRO 19 HD3 PRO 19 11.530 -1.729 -6.174 159 H SER 20 H SER 20 12.014 2.327 -6.787 160 HA SER 20 HA SER 20 12.414 4.896 -5.339 161 HB2 SER 20 HB2 SER 20 13.432 3.992 -8.059 162 HB3 SER 20 HB3 SER 20 13.799 5.539 -7.258 163 HG SER 20 HG SER 20 14.405 2.942 -6.276 164 H ASP 21 H ASP 21 9.848 3.515 -6.545 165 HA ASP 21 HA ASP 21 9.142 5.622 -8.519 166 HB2 ASP 21 HB2 ASP 21 8.041 2.905 -7.808 167 HB3 ASP 21 HB3 ASP 21 7.011 4.107 -8.609 168 H THR 22 H THR 22 9.189 5.314 -5.265 169 HA THR 22 HA THR 22 8.262 6.588 -3.631 170 HB THR 22 HB THR 22 6.399 7.715 -5.756 171 HG1 THR 22 HG1 THR 22 8.019 8.913 -6.360 172 HG21 THR 22 HG21 THR 22 6.409 9.692 -4.238 173 HG22 THR 22 HG22 THR 22 5.702 8.255 -3.470 174 HG23 THR 22 HG23 THR 22 7.362 8.757 -3.060 175 H ILE 23 H ILE 23 6.308 6.723 -2.286 176 HA ILE 23 HA ILE 23 5.014 4.281 -1.949 177 HB ILE 23 HB ILE 23 4.209 7.107 -1.170 178 HG12 ILE 23 HG12 ILE 23 6.383 6.199 -0.292 179 HG13 ILE 23 HG13 ILE 23 5.192 6.577 0.966 180 HG21 ILE 23 HG21 ILE 23 3.088 4.443 -0.208 181 HG22 ILE 23 HG22 ILE 23 2.766 6.021 0.547 182 HG23 ILE 23 HG23 ILE 23 2.213 5.701 -1.111 183 HD11 ILE 23 HD11 ILE 23 6.342 4.401 1.359 184 HD12 ILE 23 HD12 ILE 23 4.586 4.217 1.173 185 HD13 ILE 23 HD13 ILE 23 5.672 3.792 -0.170 186 H GLU 24 H GLU 24 4.171 6.951 -4.112 187 HA GLU 24 HA GLU 24 1.450 6.411 -4.494 188 HB2 GLU 24 HB2 GLU 24 2.759 8.372 -5.345 189 HB3 GLU 24 HB3 GLU 24 3.457 7.316 -6.595 190 HG2 GLU 24 HG2 GLU 24 1.219 6.849 -7.486 191 HG3 GLU 24 HG3 GLU 24 0.475 7.789 -6.175 192 H ASN 25 H ASN 25 4.318 4.704 -5.669 193 HA ASN 25 HA ASN 25 3.048 3.208 -7.738 194 HB2 ASN 25 HB2 ASN 25 5.506 3.538 -7.421 195 HB3 ASN 25 HB3 ASN 25 5.439 2.483 -5.999 196 HD21 ASN 25 HD21 ASN 25 5.884 0.884 -9.665 197 HD22 ASN 25 HD22 ASN 25 5.975 2.600 -9.344 198 H VAL 26 H VAL 26 3.346 2.745 -4.206 199 HA VAL 26 HA VAL 26 2.608 0.007 -4.176 200 HB VAL 26 HB VAL 26 2.123 2.160 -2.074 201 HG11 VAL 26 HG11 VAL 26 0.881 0.062 -1.665 202 HG12 VAL 26 HG12 VAL 26 2.383 -0.870 -1.864 203 HG13 VAL 26 HG13 VAL 26 2.208 0.254 -0.496 204 HG21 VAL 26 HG21 VAL 26 4.491 2.060 -2.792 205 HG22 VAL 26 HG22 VAL 26 4.291 1.424 -1.144 206 HG23 VAL 26 HG23 VAL 26 4.502 0.304 -2.508 207 H LYS 27 H LYS 27 0.724 3.011 -4.350 208 HA LYS 27 HA LYS 27 -1.811 1.626 -3.924 209 HB2 LYS 27 HB2 LYS 27 -1.118 4.444 -4.850 210 HB3 LYS 27 HB3 LYS 27 -2.763 3.861 -4.506 211 HG2 LYS 27 HG2 LYS 27 -2.030 3.273 -2.185 212 HG3 LYS 27 HG3 LYS 27 -0.442 3.993 -2.532 213 HD2 LYS 27 HD2 LYS 27 -3.109 5.463 -2.714 214 HD3 LYS 27 HD3 LYS 27 -1.980 5.566 -1.344 215 HE2 LYS 27 HE2 LYS 27 -0.217 6.429 -2.869 216 HE3 LYS 27 HE3 LYS 27 -1.361 6.329 -4.223 217 HZ1 LYS 27 HZ1 LYS 27 -2.791 7.805 -2.759 218 HZ2 LYS 27 HZ2 LYS 27 -1.409 8.127 -1.932 219 HZ3 LYS 27 HZ3 LYS 27 -1.497 8.489 -3.537 220 H ALA 28 H ALA 28 0.253 2.541 -6.649 221 HA ALA 28 HA ALA 28 -1.834 2.422 -8.619 222 HB1 ALA 28 HB1 ALA 28 -0.046 2.661 -10.205 223 HB2 ALA 28 HB2 ALA 28 0.366 3.657 -8.794 224 HB3 ALA 28 HB3 ALA 28 1.160 2.081 -9.025 225 H LYS 29 H LYS 29 0.524 0.049 -7.322 226 HA LYS 29 HA LYS 29 0.010 -1.907 -9.353 227 HB2 LYS 29 HB2 LYS 29 1.085 -2.176 -6.520 228 HB3 LYS 29 HB3 LYS 29 1.164 -3.443 -7.762 229 HG2 LYS 29 HG2 LYS 29 2.371 -0.669 -8.112 230 HG3 LYS 29 HG3 LYS 29 3.272 -2.066 -7.490 231 HD2 LYS 29 HD2 LYS 29 2.768 -3.315 -9.582 232 HD3 LYS 29 HD3 LYS 29 1.921 -1.878 -10.207 233 HE2 LYS 29 HE2 LYS 29 3.927 -1.236 -11.023 234 HE3 LYS 29 HE3 LYS 29 4.335 -0.823 -9.345 235 HZ1 LYS 29 HZ1 LYS 29 5.984 -2.226 -10.300 236 HZ2 LYS 29 HZ2 LYS 29 5.204 -3.060 -9.113 237 HZ3 LYS 29 HZ3 LYS 29 4.870 -3.379 -10.697 238 H ILE 30 H ILE 30 -1.708 -0.952 -6.436 239 HA ILE 30 HA ILE 30 -3.184 -3.503 -6.370 240 HB ILE 30 HB ILE 30 -3.277 -0.989 -4.657 241 HG12 ILE 30 HG12 ILE 30 -2.331 -3.826 -4.049 242 HG13 ILE 30 HG13 ILE 30 -1.250 -2.503 -4.534 243 HG21 ILE 30 HG21 ILE 30 -4.752 -3.646 -4.358 244 HG22 ILE 30 HG22 ILE 30 -4.740 -2.332 -3.158 245 HG23 ILE 30 HG23 ILE 30 -5.499 -2.077 -4.742 246 HD11 ILE 30 HD11 ILE 30 -1.989 -1.176 -2.578 247 HD12 ILE 30 HD12 ILE 30 -3.042 -2.519 -2.070 248 HD13 ILE 30 HD13 ILE 30 -1.279 -2.730 -2.089 249 H GLN 31 H GLN 31 -3.504 -0.198 -7.577 250 HA GLN 31 HA GLN 31 -6.347 -0.202 -7.865 251 HB2 GLN 31 HB2 GLN 31 -4.935 1.826 -8.024 252 HB3 GLN 31 HB3 GLN 31 -4.206 1.199 -9.522 253 HG2 GLN 31 HG2 GLN 31 -6.417 1.177 -10.607 254 HG3 GLN 31 HG3 GLN 31 -7.179 1.733 -9.104 255 HE21 GLN 31 HE21 GLN 31 -6.854 4.777 -11.131 256 HE22 GLN 31 HE22 GLN 31 -7.795 3.303 -11.104 257 H ASP 32 H ASP 32 -3.669 -1.576 -9.730 258 HA ASP 32 HA ASP 32 -5.281 -2.210 -12.052 259 HB2 ASP 32 HB2 ASP 32 -2.849 -1.832 -12.172 260 HB3 ASP 32 HB3 ASP 32 -2.572 -3.214 -11.093 261 H LYS 33 H LYS 33 -4.540 -3.724 -8.957 262 HA LYS 33 HA LYS 33 -5.333 -6.368 -9.946 263 HB2 LYS 33 HB2 LYS 33 -3.353 -5.966 -8.443 264 HB3 LYS 33 HB3 LYS 33 -4.486 -5.489 -7.160 265 HG2 LYS 33 HG2 LYS 33 -3.912 -7.822 -6.843 266 HG3 LYS 33 HG3 LYS 33 -5.597 -7.750 -7.408 267 HD2 LYS 33 HD2 LYS 33 -4.884 -8.280 -9.695 268 HD3 LYS 33 HD3 LYS 33 -3.175 -8.214 -9.203 269 HE2 LYS 33 HE2 LYS 33 -3.552 -10.094 -7.643 270 HE3 LYS 33 HE3 LYS 33 -5.257 -10.163 -8.135 271 HZ1 LYS 33 HZ1 LYS 33 -3.927 -11.766 -9.295 272 HZ2 LYS 33 HZ2 LYS 33 -4.533 -10.657 -10.354 273 HZ3 LYS 33 HZ3 LYS 33 -2.949 -10.584 -9.903 274 H GLU 34 H GLU 34 -6.274 -4.294 -7.121 275 HA GLU 34 HA GLU 34 -8.719 -5.871 -6.851 276 HB2 GLU 34 HB2 GLU 34 -7.232 -5.037 -4.948 277 HB3 GLU 34 HB3 GLU 34 -7.875 -3.413 -5.274 278 HG2 GLU 34 HG2 GLU 34 -9.135 -4.562 -3.471 279 HG3 GLU 34 HG3 GLU 34 -10.169 -4.237 -4.875 280 H GLY 35 H GLY 35 -7.720 -3.034 -8.525 281 HA2 GLY 35 HA2 GLY 35 -8.982 -1.801 -10.018 282 HA3 GLY 35 HA3 GLY 35 -10.442 -2.628 -9.450 283 H ILE 36 H ILE 36 -8.945 -1.579 -6.668 284 HA ILE 36 HA ILE 36 -10.918 0.454 -6.229 285 HB ILE 36 HB ILE 36 -8.388 -0.211 -4.675 286 HG12 ILE 36 HG12 ILE 36 -11.256 -1.186 -4.325 287 HG13 ILE 36 HG13 ILE 36 -9.938 -2.140 -5.033 288 HG21 ILE 36 HG21 ILE 36 -10.958 1.211 -3.845 289 HG22 ILE 36 HG22 ILE 36 -9.563 0.865 -2.795 290 HG23 ILE 36 HG23 ILE 36 -9.395 2.007 -4.143 291 HD11 ILE 36 HD11 ILE 36 -8.657 -1.931 -2.915 292 HD12 ILE 36 HD12 ILE 36 -10.011 -1.021 -2.200 293 HD13 ILE 36 HD13 ILE 36 -10.231 -2.721 -2.665 294 HA PRO 37 HA PRO 37 -8.663 3.654 -8.371 295 HB2 PRO 37 HB2 PRO 37 -10.716 5.400 -7.086 296 HB3 PRO 37 HB3 PRO 37 -10.287 5.248 -8.821 297 HG2 PRO 37 HG2 PRO 37 -12.595 4.181 -7.784 298 HG3 PRO 37 HG3 PRO 37 -11.683 3.388 -9.110 299 HD2 PRO 37 HD2 PRO 37 -11.743 2.701 -6.182 300 HD3 PRO 37 HD3 PRO 37 -11.637 1.621 -7.606 301 HA PRO 38 HA PRO 38 -6.211 5.636 -5.297 302 HB2 PRO 38 HB2 PRO 38 -6.622 8.281 -6.607 303 HB3 PRO 38 HB3 PRO 38 -5.095 7.386 -6.327 304 HG2 PRO 38 HG2 PRO 38 -6.258 7.594 -8.814 305 HG3 PRO 38 HG3 PRO 38 -5.346 6.140 -8.291 306 HD2 PRO 38 HD2 PRO 38 -8.319 6.552 -8.454 307 HD3 PRO 38 HD3 PRO 38 -7.353 5.078 -8.767 308 H ASP 39 H ASP 39 -6.182 7.428 -3.653 309 HA ASP 39 HA ASP 39 -7.068 8.809 -2.108 310 HB2 ASP 39 HB2 ASP 39 -7.990 9.982 -4.141 311 HB3 ASP 39 HB3 ASP 39 -9.508 9.096 -3.885 312 H GLN 40 H GLN 40 -9.387 6.413 -3.423 313 HA GLN 40 HA GLN 40 -10.994 6.319 -1.043 314 HB2 GLN 40 HB2 GLN 40 -10.585 4.406 -3.374 315 HB3 GLN 40 HB3 GLN 40 -11.768 4.136 -2.072 316 HG2 GLN 40 HG2 GLN 40 -12.846 6.293 -2.576 317 HG3 GLN 40 HG3 GLN 40 -11.656 6.603 -3.856 318 HE21 GLN 40 HE21 GLN 40 -13.673 5.067 -6.264 319 HE22 GLN 40 HE22 GLN 40 -12.573 6.352 -5.815 320 H GLN 41 H GLN 41 -7.840 5.200 -1.823 321 HA GLN 41 HA GLN 41 -7.919 3.267 0.437 322 HB2 GLN 41 HB2 GLN 41 -6.076 2.120 -0.678 323 HB3 GLN 41 HB3 GLN 41 -7.443 2.293 -1.799 324 HG2 GLN 41 HG2 GLN 41 -6.331 4.384 -2.697 325 HG3 GLN 41 HG3 GLN 41 -4.917 3.993 -1.698 326 HE21 GLN 41 HE21 GLN 41 -5.766 1.876 -5.145 327 HE22 GLN 41 HE22 GLN 41 -6.926 2.985 -4.453 328 H ARG 42 H ARG 42 -6.173 3.282 1.918 329 HA ARG 42 HA ARG 42 -4.259 5.541 1.796 330 HB2 ARG 42 HB2 ARG 42 -6.408 5.051 3.874 331 HB3 ARG 42 HB3 ARG 42 -4.902 5.895 4.297 332 HG2 ARG 42 HG2 ARG 42 -5.341 7.694 2.848 333 HG3 ARG 42 HG3 ARG 42 -6.527 6.773 1.897 334 HD2 ARG 42 HD2 ARG 42 -6.980 7.403 4.826 335 HD3 ARG 42 HD3 ARG 42 -7.451 8.522 3.533 336 HE ARG 42 HE ARG 42 -8.914 6.802 2.619 337 HH11 ARG 42 HH11 ARG 42 -7.748 6.357 5.931 338 HH12 ARG 42 HH12 ARG 42 -9.093 5.350 6.412 339 HH21 ARG 42 HH21 ARG 42 -10.664 5.444 3.240 340 HH22 ARG 42 HH22 ARG 42 -10.753 4.813 4.867 341 H LEU 43 H LEU 43 -2.313 5.067 2.830 342 HA LEU 43 HA LEU 43 -2.102 2.265 3.824 343 HB2 LEU 43 HB2 LEU 43 -0.311 4.085 2.205 344 HB3 LEU 43 HB3 LEU 43 0.377 2.726 3.118 345 HG LEU 43 HG LEU 43 -1.907 2.410 1.134 346 HD11 LEU 43 HD11 LEU 43 -0.188 1.535 -0.408 347 HD12 LEU 43 HD12 LEU 43 0.143 3.232 0.010 348 HD13 LEU 43 HD13 LEU 43 1.082 1.929 0.776 349 HD21 LEU 43 HD21 LEU 43 -1.193 0.018 1.242 350 HD22 LEU 43 HD22 LEU 43 0.005 0.449 2.483 351 HD23 LEU 43 HD23 LEU 43 -1.732 0.620 2.826 352 H ALA 44 H ALA 44 -0.541 1.802 5.467 353 HA ALA 44 HA ALA 44 0.742 3.939 6.952 354 HB1 ALA 44 HB1 ALA 44 -1.530 2.351 8.216 355 HB2 ALA 44 HB2 ALA 44 -0.427 3.451 9.077 356 HB3 ALA 44 HB3 ALA 44 -1.551 4.094 7.857 357 H PHE 45 H PHE 45 1.881 2.918 8.927 358 HA PHE 45 HA PHE 45 2.335 0.016 8.635 359 HB2 PHE 45 HB2 PHE 45 3.977 1.271 7.188 360 HB3 PHE 45 HB3 PHE 45 4.602 2.036 8.653 361 HD1 PHE 45 HD1 PHE 45 5.388 0.390 10.559 362 HD2 PHE 45 HD2 PHE 45 4.892 -0.742 6.443 363 HE1 PHE 45 HE1 PHE 45 6.909 -1.538 10.901 364 HE2 PHE 45 HE2 PHE 45 6.414 -2.665 6.787 365 HZ PHE 45 HZ PHE 45 7.429 -3.062 9.016 366 H ALA 46 H ALA 46 1.788 -0.672 10.636 367 HA ALA 46 HA ALA 46 1.643 -0.805 12.898 368 HB1 ALA 46 HB1 ALA 46 4.063 -1.196 12.637 369 HB2 ALA 46 HB2 ALA 46 4.361 0.553 12.786 370 HB3 ALA 46 HB3 ALA 46 3.695 -0.357 14.162 371 H GLY 47 H GLY 47 0.780 1.753 11.429 372 HA2 GLY 47 HA2 GLY 47 -0.683 3.320 12.465 373 HA3 GLY 47 HA3 GLY 47 0.352 3.328 13.906 374 H LYS 48 H LYS 48 2.634 3.360 11.620 375 HA LYS 48 HA LYS 48 2.969 6.252 11.723 376 HB2 LYS 48 HB2 LYS 48 4.537 4.098 10.238 377 HB3 LYS 48 HB3 LYS 48 5.056 5.776 10.512 378 HG2 LYS 48 HG2 LYS 48 4.996 5.399 12.957 379 HG3 LYS 48 HG3 LYS 48 4.472 3.721 12.691 380 HD2 LYS 48 HD2 LYS 48 6.564 3.249 11.471 381 HD3 LYS 48 HD3 LYS 48 7.085 4.937 11.697 382 HE2 LYS 48 HE2 LYS 48 7.008 4.635 14.150 383 HE3 LYS 48 HE3 LYS 48 6.482 2.954 13.932 384 HZ1 LYS 48 HZ1 LYS 48 8.832 3.124 14.324 385 HZ2 LYS 48 HZ2 LYS 48 8.541 2.511 12.821 386 HZ3 LYS 48 HZ3 LYS 48 9.028 4.077 12.991 387 H GLN 49 H GLN 49 2.097 7.641 10.280 388 HA GLN 49 HA GLN 49 0.589 6.668 8.035 389 HB2 GLN 49 HB2 GLN 49 0.282 9.074 7.546 390 HB3 GLN 49 HB3 GLN 49 -0.018 8.708 9.258 391 HG2 GLN 49 HG2 GLN 49 2.313 9.445 9.789 392 HG3 GLN 49 HG3 GLN 49 2.535 9.887 8.085 393 HE21 GLN 49 HE21 GLN 49 1.536 13.146 9.013 394 HE22 GLN 49 HE22 GLN 49 2.823 12.109 8.440 395 H LEU 50 H LEU 50 1.104 6.587 5.863 396 HA LEU 50 HA LEU 50 3.967 7.040 5.216 397 HB2 LEU 50 HB2 LEU 50 1.759 5.616 3.673 398 HB3 LEU 50 HB3 LEU 50 3.468 5.713 3.197 399 HG LEU 50 HG LEU 50 2.354 4.386 5.705 400 HD11 LEU 50 HD11 LEU 50 2.411 3.422 3.146 401 HD12 LEU 50 HD12 LEU 50 4.008 2.921 3.716 402 HD13 LEU 50 HD13 LEU 50 2.557 2.393 4.600 403 HD21 LEU 50 HD21 LEU 50 5.190 4.919 4.760 404 HD22 LEU 50 HD22 LEU 50 4.473 5.264 6.344 405 HD23 LEU 50 HD23 LEU 50 4.803 3.581 5.877 406 H GLU 51 H GLU 51 4.519 8.248 3.287 407 HA GLU 51 HA GLU 51 2.380 9.913 2.131 408 HB2 GLU 51 HB2 GLU 51 3.213 11.072 4.189 409 HB3 GLU 51 HB3 GLU 51 4.844 11.084 3.486 410 HG2 GLU 51 HG2 GLU 51 4.075 12.458 1.623 411 HG3 GLU 51 HG3 GLU 51 2.391 12.322 2.172 412 H ASP 52 H ASP 52 3.054 10.965 0.154 413 HA ASP 52 HA ASP 52 5.108 9.421 -1.259 414 HB2 ASP 52 HB2 ASP 52 4.220 10.571 -3.242 415 HB3 ASP 52 HB3 ASP 52 2.921 9.813 -2.302 416 H GLY 53 H GLY 53 6.583 10.649 -2.778 417 HA2 GLY 53 HA2 GLY 53 7.772 12.652 -3.294 418 HA3 GLY 53 HA3 GLY 53 7.439 13.261 -1.660 419 H ARG 54 H ARG 54 8.178 10.041 -1.251 420 HA ARG 54 HA ARG 54 11.106 10.499 -1.168 421 HB2 ARG 54 HB2 ARG 54 10.264 11.152 1.021 422 HB3 ARG 54 HB3 ARG 54 9.332 9.648 1.153 423 HG2 ARG 54 HG2 ARG 54 11.383 8.326 1.218 424 HG3 ARG 54 HG3 ARG 54 12.369 9.784 0.931 425 HD2 ARG 54 HD2 ARG 54 11.628 10.757 3.037 426 HD3 ARG 54 HD3 ARG 54 10.483 9.427 3.294 427 HE ARG 54 HE ARG 54 13.197 8.475 3.005 428 HH11 ARG 54 HH11 ARG 54 10.920 9.990 5.248 429 HH12 ARG 54 HH12 ARG 54 11.661 9.305 6.674 430 HH21 ARG 54 HH21 ARG 54 14.185 7.587 4.883 431 HH22 ARG 54 HH22 ARG 54 13.541 7.943 6.472 432 H THR 55 H THR 55 12.344 8.539 -1.064 433 HA THR 55 HA THR 55 11.368 6.396 -2.633 434 HB THR 55 HB THR 55 13.652 6.380 -0.609 435 HG1 THR 55 HG1 THR 55 14.865 7.141 -2.414 436 HG21 THR 55 HG21 THR 55 14.664 4.767 -2.136 437 HG22 THR 55 HG22 THR 55 13.041 4.198 -1.681 438 HG23 THR 55 HG23 THR 55 13.309 4.949 -3.273 439 H LEU 56 H LEU 56 9.919 4.855 -2.095 440 HA LEU 56 HA LEU 56 8.821 4.717 0.499 441 HB2 LEU 56 HB2 LEU 56 7.551 2.810 -0.365 442 HB3 LEU 56 HB3 LEU 56 7.631 4.116 -1.559 443 HG LEU 56 HG LEU 56 9.781 2.728 -2.382 444 HD11 LEU 56 HD11 LEU 56 7.903 0.629 -1.203 445 HD12 LEU 56 HD12 LEU 56 9.324 0.306 -2.220 446 HD13 LEU 56 HD13 LEU 56 9.533 0.990 -0.594 447 HD21 LEU 56 HD21 LEU 56 6.864 2.054 -2.953 448 HD22 LEU 56 HD22 LEU 56 7.838 3.308 -3.757 449 HD23 LEU 56 HD23 LEU 56 8.236 1.589 -3.983 450 H SER 57 H SER 57 11.481 2.863 -0.997 451 HA SER 57 HA SER 57 11.451 0.803 1.013 452 HB2 SER 57 HB2 SER 57 13.653 0.214 0.036 453 HB3 SER 57 HB3 SER 57 12.420 0.468 -1.221 454 HG SER 57 HG SER 57 14.395 1.548 -1.684 455 H ASP 58 H ASP 58 12.741 4.056 0.842 456 HA ASP 58 HA ASP 58 14.566 3.585 3.106 457 HB2 ASP 58 HB2 ASP 58 15.207 5.013 1.160 458 HB3 ASP 58 HB3 ASP 58 13.881 6.121 1.569 459 H TYR 59 H TYR 59 11.290 4.455 2.500 460 HA TYR 59 HA TYR 59 11.004 6.241 4.751 461 HB2 TYR 59 HB2 TYR 59 9.651 5.897 2.465 462 HB3 TYR 59 HB3 TYR 59 8.646 4.885 3.506 463 HD1 TYR 59 HD1 TYR 59 8.598 7.900 2.074 464 HD2 TYR 59 HD2 TYR 59 8.583 6.276 6.052 465 HE1 TYR 59 HE1 TYR 59 7.474 9.952 2.899 466 HE2 TYR 59 HE2 TYR 59 7.452 8.319 6.889 467 HH TYR 59 HH TYR 59 6.544 10.354 6.339 468 H ASN 60 H ASN 60 9.235 3.144 4.118 469 HA ASN 60 HA ASN 60 9.807 2.279 6.879 470 HB2 ASN 60 HB2 ASN 60 7.111 3.179 5.855 471 HB3 ASN 60 HB3 ASN 60 7.221 1.885 7.064 472 HD21 ASN 60 HD21 ASN 60 7.231 5.597 8.401 473 HD22 ASN 60 HD22 ASN 60 6.556 5.037 6.889 474 H ILE 61 H ILE 61 8.715 1.685 3.578 475 HA ILE 61 HA ILE 61 7.649 -0.906 3.876 476 HB ILE 61 HB ILE 61 9.063 0.550 1.627 477 HG12 ILE 61 HG12 ILE 61 6.771 0.067 0.588 478 HG13 ILE 61 HG13 ILE 61 6.252 -0.502 2.187 479 HG21 ILE 61 HG21 ILE 61 8.506 -1.397 0.174 480 HG22 ILE 61 HG22 ILE 61 9.733 -1.802 1.394 481 HG23 ILE 61 HG23 ILE 61 8.045 -2.323 1.622 482 HD11 ILE 61 HD11 ILE 61 5.715 1.933 1.648 483 HD12 ILE 61 HD12 ILE 61 6.634 1.688 3.154 484 HD13 ILE 61 HD13 ILE 61 7.460 2.249 1.684 485 H GLN 62 H GLN 62 8.513 -2.932 4.069 486 HA GLN 62 HA GLN 62 11.480 -3.150 4.136 487 HB2 GLN 62 HB2 GLN 62 9.441 -3.996 6.213 488 HB3 GLN 62 HB3 GLN 62 11.035 -4.774 6.096 489 HG2 GLN 62 HG2 GLN 62 12.164 -2.644 6.425 490 HG3 GLN 62 HG3 GLN 62 10.617 -1.776 6.389 491 HE21 GLN 62 HE21 GLN 62 11.149 -1.962 9.958 492 HE22 GLN 62 HE22 GLN 62 11.588 -1.019 8.549 493 H LYS 63 H LYS 63 12.148 -5.496 4.087 494 HA LYS 63 HA LYS 63 11.002 -6.718 1.790 495 HB2 LYS 63 HB2 LYS 63 12.609 -8.562 2.342 496 HB3 LYS 63 HB3 LYS 63 13.345 -6.948 2.265 497 HG2 LYS 63 HG2 LYS 63 13.240 -6.776 4.736 498 HG3 LYS 63 HG3 LYS 63 12.533 -8.407 4.814 499 HD2 LYS 63 HD2 LYS 63 14.543 -9.327 3.695 500 HD3 LYS 63 HD3 LYS 63 15.255 -7.696 3.644 501 HE2 LYS 63 HE2 LYS 63 15.118 -7.582 6.124 502 HE3 LYS 63 HE3 LYS 63 14.461 -9.231 6.155 503 HZ1 LYS 63 HZ1 LYS 63 16.824 -9.155 6.555 504 HZ2 LYS 63 HZ2 LYS 63 16.486 -10.005 5.180 505 HZ3 LYS 63 HZ3 LYS 63 17.089 -8.473 5.080 506 H GLU 64 H GLU 64 9.282 -7.953 1.581 507 HA GLU 64 HA GLU 64 7.435 -9.175 2.130 508 HB2 GLU 64 HB2 GLU 64 9.621 -10.750 3.547 509 HB3 GLU 64 HB3 GLU 64 8.000 -11.359 3.149 510 HG2 GLU 64 HG2 GLU 64 9.310 -12.123 1.356 511 HG3 GLU 64 HG3 GLU 64 8.530 -10.668 0.710 512 H SER 65 H SER 65 7.612 -6.922 3.833 513 HA SER 65 HA SER 65 6.834 -8.026 6.482 514 HB2 SER 65 HB2 SER 65 7.514 -5.210 5.545 515 HB3 SER 65 HB3 SER 65 6.957 -5.619 7.184 516 HG SER 65 HG SER 65 9.218 -5.590 7.087 517 H THR 66 H THR 66 4.946 -6.786 7.527 518 HA THR 66 HA THR 66 2.733 -6.801 5.570 519 HB THR 66 HB THR 66 2.706 -6.826 8.613 520 HG1 THR 66 HG1 THR 66 2.362 -9.037 8.329 521 HG21 THR 66 HG21 THR 66 0.380 -7.649 8.275 522 HG22 THR 66 HG22 THR 66 0.608 -6.015 7.614 523 HG23 THR 66 HG23 THR 66 0.567 -7.418 6.520 524 H LEU 67 H LEU 67 1.528 -5.041 5.090 525 HA LEU 67 HA LEU 67 2.106 -2.529 6.596 526 HB2 LEU 67 HB2 LEU 67 1.725 -3.151 3.695 527 HB3 LEU 67 HB3 LEU 67 0.963 -1.669 4.304 528 HG LEU 67 HG LEU 67 3.178 -1.039 5.351 529 HD11 LEU 67 HD11 LEU 67 4.172 -3.303 3.561 530 HD12 LEU 67 HD12 LEU 67 5.201 -2.116 4.390 531 HD13 LEU 67 HD13 LEU 67 4.241 -3.273 5.338 532 HD21 LEU 67 HD21 LEU 67 3.087 -1.414 2.328 533 HD22 LEU 67 HD22 LEU 67 2.359 -0.066 3.234 534 HD23 LEU 67 HD23 LEU 67 4.126 -0.264 3.201 535 H HIS 68 H HIS 68 0.138 -0.953 6.283 536 HA HIS 68 HA HIS 68 -2.342 -2.478 6.927 537 HB2 HIS 68 HB2 HIS 68 -1.393 -1.483 8.931 538 HB3 HIS 68 HB3 HIS 68 -1.196 0.072 8.113 539 HD1 HIS 68 HD1 HIS 68 -4.477 -1.928 7.879 540 HD2 HIS 68 HD2 HIS 68 -2.774 1.425 9.765 541 HE1 HIS 68 HE1 HIS 68 -6.401 -0.649 8.973 542 H LEU 69 H LEU 69 -4.093 -1.991 5.715 543 HA LEU 69 HA LEU 69 -3.954 0.482 4.055 544 HB2 LEU 69 HB2 LEU 69 -3.561 -1.661 2.791 545 HB3 LEU 69 HB3 LEU 69 -5.160 -2.214 3.324 546 HG LEU 69 HG LEU 69 -6.089 -0.057 2.260 547 HD11 LEU 69 HD11 LEU 69 -3.366 -0.156 0.890 548 HD12 LEU 69 HD12 LEU 69 -4.701 0.955 0.507 549 HD13 LEU 69 HD13 LEU 69 -3.861 1.079 2.068 550 HD21 LEU 69 HD21 LEU 69 -6.094 -1.076 0.013 551 HD22 LEU 69 HD22 LEU 69 -4.748 -2.139 0.486 552 HD23 LEU 69 HD23 LEU 69 -6.336 -2.306 1.272 553 H ALA 70 H ALA 70 -5.894 1.625 3.790 554 HA ALA 70 HA ALA 70 -8.253 0.587 5.282 555 HB1 ALA 70 HB1 ALA 70 -7.479 2.246 6.764 556 HB2 ALA 70 HB2 ALA 70 -6.902 3.298 5.438 557 HB3 ALA 70 HB3 ALA 70 -8.644 3.121 5.757 558 H LEU 71 H LEU 71 -10.224 0.947 4.266 559 HA LEU 71 HA LEU 71 -10.058 2.244 1.583 560 HB2 LEU 71 HB2 LEU 71 -11.650 -0.173 2.531 561 HB3 LEU 71 HB3 LEU 71 -11.957 0.671 1.008 562 HG LEU 71 HG LEU 71 -10.625 -1.200 0.455 563 HD11 LEU 71 HD11 LEU 71 -9.950 0.961 -0.600 564 HD12 LEU 71 HD12 LEU 71 -8.703 1.151 0.655 565 HD13 LEU 71 HD13 LEU 71 -8.614 -0.208 -0.485 566 HD21 LEU 71 HD21 LEU 71 -9.805 -1.650 2.780 567 HD22 LEU 71 HD22 LEU 71 -8.556 -1.821 1.525 568 HD23 LEU 71 HD23 LEU 71 -8.585 -0.374 2.550 569 H ARG 72 H ARG 72 -12.416 2.809 0.833 570 HA ARG 72 HA ARG 72 -13.460 4.703 2.749 571 HB2 ARG 72 HB2 ARG 72 -15.139 5.123 0.972 572 HB3 ARG 72 HB3 ARG 72 -13.482 5.154 0.331 573 HG2 ARG 72 HG2 ARG 72 -13.709 2.961 -0.621 574 HG3 ARG 72 HG3 ARG 72 -15.217 2.652 0.271 575 HD2 ARG 72 HD2 ARG 72 -14.883 4.837 -1.818 576 HD3 ARG 72 HD3 ARG 72 -15.584 3.237 -2.141 577 HE ARG 72 HE ARG 72 -16.995 4.245 0.043 578 HH11 ARG 72 HH11 ARG 72 -16.394 5.172 -3.315 579 HH12 ARG 72 HH12 ARG 72 -17.937 5.973 -3.511 580 HH21 ARG 72 HH21 ARG 72 -19.028 5.280 -0.217 581 HH22 ARG 72 HH22 ARG 72 -19.451 6.019 -1.745 582 H LEU 73 H LEU 73 -15.871 4.769 3.218 583 HA LEU 73 HA LEU 73 -16.774 2.088 4.100 584 HB2 LEU 73 HB2 LEU 73 -17.811 4.894 4.680 585 HB3 LEU 73 HB3 LEU 73 -18.460 3.395 5.379 586 HG LEU 73 HG LEU 73 -15.591 4.383 5.700 587 HD11 LEU 73 HD11 LEU 73 -16.261 4.837 8.031 588 HD12 LEU 73 HD12 LEU 73 -17.246 5.787 6.894 589 HD13 LEU 73 HD13 LEU 73 -17.926 4.332 7.658 590 HD21 LEU 73 HD21 LEU 73 -15.492 2.586 7.434 591 HD22 LEU 73 HD22 LEU 73 -17.117 2.053 6.944 592 HD23 LEU 73 HD23 LEU 73 -15.756 1.933 5.803 593 H ARG 74 H ARG 74 -19.202 1.688 3.820 594 HA ARG 74 HA ARG 74 -19.869 2.109 1.004 595 HB2 ARG 74 HB2 ARG 74 -20.239 -0.059 2.202 596 HB3 ARG 74 HB3 ARG 74 -21.459 0.745 3.216 597 HG2 ARG 74 HG2 ARG 74 -22.815 1.260 1.247 598 HG3 ARG 74 HG3 ARG 74 -21.541 0.643 0.170 599 HD2 ARG 74 HD2 ARG 74 -23.294 -1.043 0.430 600 HD3 ARG 74 HD3 ARG 74 -21.786 -1.607 1.178 601 HE ARG 74 HE ARG 74 -23.810 -0.277 2.891 602 HH11 ARG 74 HH11 ARG 74 -22.194 -3.245 1.832 603 HH12 ARG 74 HH12 ARG 74 -22.723 -4.176 3.216 604 HH21 ARG 74 HH21 ARG 74 -24.483 -1.499 4.711 605 HH22 ARG 74 HH22 ARG 74 -24.057 -3.191 4.844 606 H GLY 75 H GLY 75 -20.822 3.312 4.205 607 HA2 GLY 75 HA2 GLY 75 -21.707 5.497 4.498 608 HA3 GLY 75 HA3 GLY 75 -22.394 5.436 2.861 609 H GLY 76 H GLY 76 -22.976 2.430 4.086 610 HA2 GLY 76 HA2 GLY 76 -24.928 2.536 6.015 611 HA3 GLY 76 HA3 GLY 76 -25.783 2.972 4.516 Start of MODEL 18 1 H1 MET 1 H MET 1 11.444 -7.943 -1.434 2 HA MET 1 HA MET 1 11.658 -8.424 -4.350 3 HB2 MET 1 HB2 MET 1 12.490 -10.335 -3.094 4 HB3 MET 1 HB3 MET 1 11.037 -10.342 -2.076 5 HG2 MET 1 HG2 MET 1 9.650 -10.755 -4.091 6 HG3 MET 1 HG3 MET 1 11.119 -10.831 -5.074 7 HE1 MET 1 HE1 MET 1 9.602 -14.507 -4.816 8 HE2 MET 1 HE2 MET 1 8.680 -12.989 -4.715 9 HE3 MET 1 HE3 MET 1 9.982 -13.159 -5.916 10 H GLN 2 H GLN 2 9.314 -9.257 -1.730 11 HA GLN 2 HA GLN 2 7.246 -7.740 -3.240 12 HB2 GLN 2 HB2 GLN 2 7.129 -10.598 -2.217 13 HB3 GLN 2 HB3 GLN 2 5.666 -9.634 -2.512 14 HG2 GLN 2 HG2 GLN 2 6.334 -9.286 -4.853 15 HG3 GLN 2 HG3 GLN 2 7.818 -10.221 -4.583 16 HE21 GLN 2 HE21 GLN 2 4.686 -12.215 -5.880 17 HE22 GLN 2 HE22 GLN 2 5.129 -10.558 -6.218 18 H ILE 3 H ILE 3 5.230 -7.540 -1.764 19 HA ILE 3 HA ILE 3 5.878 -7.601 1.104 20 HB ILE 3 HB ILE 3 4.976 -5.296 1.413 21 HG12 ILE 3 HG12 ILE 3 5.326 -5.110 -1.601 22 HG13 ILE 3 HG13 ILE 3 3.750 -5.218 -0.789 23 HG21 ILE 3 HG21 ILE 3 7.049 -4.175 0.788 24 HG22 ILE 3 HG22 ILE 3 7.426 -5.829 1.308 25 HG23 ILE 3 HG23 ILE 3 7.403 -5.427 -0.425 26 HD11 ILE 3 HD11 ILE 3 4.587 -2.859 -1.426 27 HD12 ILE 3 HD12 ILE 3 4.029 -3.084 0.254 28 HD13 ILE 3 HD13 ILE 3 5.765 -3.041 -0.123 29 H PHE 4 H PHE 4 3.695 -6.894 2.311 30 HA PHE 4 HA PHE 4 1.453 -8.139 0.790 31 HB2 PHE 4 HB2 PHE 4 2.348 -8.654 3.645 32 HB3 PHE 4 HB3 PHE 4 0.831 -9.234 2.949 33 HD1 PHE 4 HD1 PHE 4 0.776 -11.086 1.391 34 HD2 PHE 4 HD2 PHE 4 4.511 -9.576 2.891 35 HE1 PHE 4 HE1 PHE 4 1.934 -13.114 0.555 36 HE2 PHE 4 HE2 PHE 4 5.668 -11.597 2.038 37 HZ PHE 4 HZ PHE 4 4.380 -13.366 0.872 38 H VAL 5 H VAL 5 -0.059 -6.612 0.520 39 HA VAL 5 HA VAL 5 -0.394 -4.547 2.623 40 HB VAL 5 HB VAL 5 -1.586 -4.796 -0.173 41 HG11 VAL 5 HG11 VAL 5 -2.215 -2.419 0.202 42 HG12 VAL 5 HG12 VAL 5 -2.997 -3.498 1.379 43 HG13 VAL 5 HG13 VAL 5 -1.587 -2.525 1.863 44 HG21 VAL 5 HG21 VAL 5 -0.009 -2.970 -0.736 45 HG22 VAL 5 HG22 VAL 5 0.674 -3.055 0.904 46 HG23 VAL 5 HG23 VAL 5 0.860 -4.429 -0.212 47 H LYS 6 H LYS 6 -1.974 -4.800 4.113 48 HA LYS 6 HA LYS 6 -4.057 -6.842 3.540 49 HB2 LYS 6 HB2 LYS 6 -2.546 -7.176 5.507 50 HB3 LYS 6 HB3 LYS 6 -3.158 -5.653 6.193 51 HG2 LYS 6 HG2 LYS 6 -5.466 -6.586 6.154 52 HG3 LYS 6 HG3 LYS 6 -4.825 -8.115 5.506 53 HD2 LYS 6 HD2 LYS 6 -3.428 -8.397 7.518 54 HD3 LYS 6 HD3 LYS 6 -4.014 -6.842 8.156 55 HE2 LYS 6 HE2 LYS 6 -6.327 -7.720 8.142 56 HE3 LYS 6 HE3 LYS 6 -5.736 -9.287 7.552 57 HZ1 LYS 6 HZ1 LYS 6 -4.717 -8.090 10.018 58 HZ2 LYS 6 HZ2 LYS 6 -6.096 -9.006 10.009 59 HZ3 LYS 6 HZ3 LYS 6 -4.657 -9.660 9.538 60 H THR 7 H THR 7 -5.931 -6.004 2.836 61 HA THR 7 HA THR 7 -6.605 -3.230 3.093 62 HB THR 7 HB THR 7 -8.787 -3.994 2.151 63 HG1 THR 7 HG1 THR 7 -9.010 -6.208 1.751 64 HG21 THR 7 HG21 THR 7 -6.335 -5.269 0.860 65 HG22 THR 7 HG22 THR 7 -7.868 -4.891 0.041 66 HG23 THR 7 HG23 THR 7 -6.845 -3.576 0.664 67 H ALA 8 H ALA 8 -8.897 -2.646 3.999 68 HA ALA 8 HA ALA 8 -8.834 -3.165 6.826 69 HB1 ALA 8 HB1 ALA 8 -10.882 -1.782 6.843 70 HB2 ALA 8 HB2 ALA 8 -9.605 -1.030 5.857 71 HB3 ALA 8 HB3 ALA 8 -10.958 -1.876 5.067 72 H THR 9 H THR 9 -10.214 -4.842 4.111 73 HA THR 9 HA THR 9 -12.365 -6.085 5.639 74 HB THR 9 HB THR 9 -12.577 -7.513 3.614 75 HG1 THR 9 HG1 THR 9 -11.205 -6.942 1.847 76 HG21 THR 9 HG21 THR 9 -12.252 -4.539 3.027 77 HG22 THR 9 HG22 THR 9 -13.208 -5.695 2.072 78 HG23 THR 9 HG23 THR 9 -13.695 -5.302 3.737 79 H GLY 10 H GLY 10 -9.001 -6.341 5.589 80 HA2 GLY 10 HA2 GLY 10 -7.792 -7.731 7.028 81 HA3 GLY 10 HA3 GLY 10 -9.154 -8.866 7.093 82 H LYS 11 H LYS 11 -8.943 -8.197 3.874 83 HA LYS 11 HA LYS 11 -7.661 -10.727 3.309 84 HB2 LYS 11 HB2 LYS 11 -8.644 -8.452 1.538 85 HB3 LYS 11 HB3 LYS 11 -7.995 -9.991 0.927 86 HG2 LYS 11 HG2 LYS 11 -9.722 -11.198 2.300 87 HG3 LYS 11 HG3 LYS 11 -10.446 -9.623 2.700 88 HD2 LYS 11 HD2 LYS 11 -10.873 -9.177 0.332 89 HD3 LYS 11 HD3 LYS 11 -10.003 -10.659 -0.133 90 HE2 LYS 11 HE2 LYS 11 -11.650 -11.996 1.176 91 HE3 LYS 11 HE3 LYS 11 -12.572 -10.516 1.505 92 HZ1 LYS 11 HZ1 LYS 11 -12.981 -12.105 -0.561 93 HZ2 LYS 11 HZ2 LYS 11 -13.347 -10.489 -0.573 94 HZ3 LYS 11 HZ3 LYS 11 -11.946 -11.034 -1.252 95 H THR 12 H THR 12 -5.581 -11.144 2.856 96 HA THR 12 HA THR 12 -3.680 -8.903 2.814 97 HB THR 12 HB THR 12 -3.161 -11.897 2.686 98 HG1 THR 12 HG1 THR 12 -2.961 -11.711 4.942 99 HG21 THR 12 HG21 THR 12 -1.474 -9.524 3.596 100 HG22 THR 12 HG22 THR 12 -0.975 -11.232 3.642 101 HG23 THR 12 HG23 THR 12 -1.259 -10.431 2.080 102 H ILE 13 H ILE 13 -2.422 -8.343 1.041 103 HA ILE 13 HA ILE 13 -3.002 -9.803 -1.487 104 HB ILE 13 HB ILE 13 -2.708 -6.796 -1.150 105 HG12 ILE 13 HG12 ILE 13 -5.211 -8.469 -1.635 106 HG13 ILE 13 HG13 ILE 13 -4.800 -7.647 -0.114 107 HG21 ILE 13 HG21 ILE 13 -1.982 -7.744 -3.335 108 HG22 ILE 13 HG22 ILE 13 -3.575 -8.516 -3.513 109 HG23 ILE 13 HG23 ILE 13 -3.439 -6.742 -3.500 110 HD11 ILE 13 HD11 ILE 13 -5.290 -6.309 -2.808 111 HD12 ILE 13 HD12 ILE 13 -6.360 -6.265 -1.392 112 HD13 ILE 13 HD13 ILE 13 -4.772 -5.466 -1.328 113 H THR 14 H THR 14 -1.151 -10.777 -2.095 114 HA THR 14 HA THR 14 1.465 -9.816 -1.335 115 HB THR 14 HB THR 14 0.666 -11.731 -3.565 116 HG1 THR 14 HG1 THR 14 1.249 -12.225 -0.831 117 HG21 THR 14 HG21 THR 14 3.014 -10.949 -3.630 118 HG22 THR 14 HG22 THR 14 3.220 -11.421 -1.926 119 HG23 THR 14 HG23 THR 14 2.925 -12.664 -3.165 120 H LEU 15 H LEU 15 2.430 -8.049 -2.194 121 HA LEU 15 HA LEU 15 1.620 -7.267 -4.948 122 HB2 LEU 15 HB2 LEU 15 0.724 -5.944 -2.893 123 HB3 LEU 15 HB3 LEU 15 2.377 -5.319 -2.764 124 HG LEU 15 HG LEU 15 2.188 -4.585 -5.189 125 HD11 LEU 15 HD11 LEU 15 -0.127 -4.413 -6.106 126 HD12 LEU 15 HD12 LEU 15 0.371 -6.104 -5.888 127 HD13 LEU 15 HD13 LEU 15 -0.731 -5.344 -4.716 128 HD21 LEU 15 HD21 LEU 15 0.128 -3.506 -3.219 129 HD22 LEU 15 HD22 LEU 15 1.844 -3.043 -3.291 130 HD23 LEU 15 HD23 LEU 15 0.758 -2.638 -4.639 131 H GLU 16 H GLU 16 3.191 -5.991 -6.139 132 HA GLU 16 HA GLU 16 5.966 -6.114 -5.123 133 HB2 GLU 16 HB2 GLU 16 5.626 -8.077 -6.592 134 HB3 GLU 16 HB3 GLU 16 5.079 -6.998 -7.898 135 HG2 GLU 16 HG2 GLU 16 7.265 -5.845 -7.864 136 HG3 GLU 16 HG3 GLU 16 7.805 -6.891 -6.537 137 H VAL 17 H VAL 17 6.742 -4.074 -5.151 138 HA VAL 17 HA VAL 17 5.711 -2.234 -7.268 139 HB VAL 17 HB VAL 17 5.917 -0.435 -5.522 140 HG11 VAL 17 HG11 VAL 17 4.015 -2.764 -5.181 141 HG12 VAL 17 HG12 VAL 17 3.927 -1.344 -4.114 142 HG13 VAL 17 HG13 VAL 17 3.709 -1.157 -5.868 143 HG21 VAL 17 HG21 VAL 17 7.526 -1.584 -4.052 144 HG22 VAL 17 HG22 VAL 17 6.061 -1.133 -3.154 145 HG23 VAL 17 HG23 VAL 17 6.309 -2.819 -3.662 146 H GLU 18 H GLU 18 7.151 -0.341 -7.635 147 HA GLU 18 HA GLU 18 9.977 -1.148 -7.675 148 HB2 GLU 18 HB2 GLU 18 8.424 1.243 -8.741 149 HB3 GLU 18 HB3 GLU 18 10.190 1.092 -8.855 150 HG2 GLU 18 HG2 GLU 18 9.226 0.313 -10.933 151 HG3 GLU 18 HG3 GLU 18 9.888 -1.081 -10.061 152 HA PRO 19 HA PRO 19 10.476 0.728 -3.735 153 HB2 PRO 19 HB2 PRO 19 13.245 0.702 -3.615 154 HB3 PRO 19 HB3 PRO 19 12.199 -0.731 -3.346 155 HG2 PRO 19 HG2 PRO 19 13.703 0.073 -5.838 156 HG3 PRO 19 HG3 PRO 19 13.483 -1.563 -5.134 157 HD2 PRO 19 HD2 PRO 19 11.995 -0.619 -7.249 158 HD3 PRO 19 HD3 PRO 19 11.340 -1.772 -6.045 159 H SER 20 H SER 20 11.799 2.099 -6.681 160 HA SER 20 HA SER 20 12.484 4.602 -5.231 161 HB2 SER 20 HB2 SER 20 13.314 3.616 -7.987 162 HB3 SER 20 HB3 SER 20 13.885 5.098 -7.184 163 HG SER 20 HG SER 20 14.223 2.426 -6.277 164 H ASP 21 H ASP 21 9.742 3.549 -6.297 165 HA ASP 21 HA ASP 21 9.208 5.764 -8.216 166 HB2 ASP 21 HB2 ASP 21 7.996 3.048 -7.742 167 HB3 ASP 21 HB3 ASP 21 7.035 4.337 -8.493 168 H THR 22 H THR 22 9.156 5.298 -4.989 169 HA THR 22 HA THR 22 8.222 6.559 -3.338 170 HB THR 22 HB THR 22 6.380 7.750 -5.449 171 HG1 THR 22 HG1 THR 22 8.541 8.026 -6.024 172 HG21 THR 22 HG21 THR 22 6.402 9.688 -3.886 173 HG22 THR 22 HG22 THR 22 5.680 8.239 -3.158 174 HG23 THR 22 HG23 THR 22 7.341 8.717 -2.727 175 H ILE 23 H ILE 23 6.191 6.705 -2.042 176 HA ILE 23 HA ILE 23 4.901 4.244 -1.785 177 HB ILE 23 HB ILE 23 4.087 7.057 -0.965 178 HG12 ILE 23 HG12 ILE 23 6.232 6.109 -0.050 179 HG13 ILE 23 HG13 ILE 23 5.013 6.474 1.185 180 HG21 ILE 23 HG21 ILE 23 2.923 4.376 -0.099 181 HG22 ILE 23 HG22 ILE 23 2.589 5.939 0.685 182 HG23 ILE 23 HG23 ILE 23 2.081 5.662 -0.995 183 HD11 ILE 23 HD11 ILE 23 6.128 4.279 1.564 184 HD12 ILE 23 HD12 ILE 23 4.377 4.114 1.322 185 HD13 ILE 23 HD13 ILE 23 5.499 3.708 0.003 186 H GLU 24 H GLU 24 4.152 6.957 -3.922 187 HA GLU 24 HA GLU 24 1.437 6.469 -4.406 188 HB2 GLU 24 HB2 GLU 24 3.554 8.057 -5.477 189 HB3 GLU 24 HB3 GLU 24 2.759 7.241 -6.844 190 HG2 GLU 24 HG2 GLU 24 0.571 8.039 -6.093 191 HG3 GLU 24 HG3 GLU 24 1.299 8.749 -4.637 192 H ASN 25 H ASN 25 4.313 4.748 -5.547 193 HA ASN 25 HA ASN 25 3.036 3.351 -7.691 194 HB2 ASN 25 HB2 ASN 25 5.496 3.695 -7.372 195 HB3 ASN 25 HB3 ASN 25 5.447 2.557 -6.013 196 HD21 ASN 25 HD21 ASN 25 5.798 1.197 -9.802 197 HD22 ASN 25 HD22 ASN 25 5.864 2.894 -9.384 198 H VAL 26 H VAL 26 3.270 2.805 -4.182 199 HA VAL 26 HA VAL 26 2.596 0.038 -4.251 200 HB VAL 26 HB VAL 26 2.101 2.109 -2.072 201 HG11 VAL 26 HG11 VAL 26 0.868 -0.008 -1.735 202 HG12 VAL 26 HG12 VAL 26 2.373 -0.926 -1.973 203 HG13 VAL 26 HG13 VAL 26 2.198 0.146 -0.565 204 HG21 VAL 26 HG21 VAL 26 4.465 2.049 -2.788 205 HG22 VAL 26 HG22 VAL 26 4.274 1.328 -1.174 206 HG23 VAL 26 HG23 VAL 26 4.483 0.280 -2.596 207 H LYS 27 H LYS 27 0.674 3.025 -4.297 208 HA LYS 27 HA LYS 27 -1.836 1.584 -3.929 209 HB2 LYS 27 HB2 LYS 27 -1.221 4.449 -4.768 210 HB3 LYS 27 HB3 LYS 27 -2.836 3.812 -4.376 211 HG2 LYS 27 HG2 LYS 27 -1.991 3.168 -2.109 212 HG3 LYS 27 HG3 LYS 27 -0.434 3.929 -2.499 213 HD2 LYS 27 HD2 LYS 27 -3.135 5.345 -2.463 214 HD3 LYS 27 HD3 LYS 27 -1.903 5.438 -1.185 215 HE2 LYS 27 HE2 LYS 27 -0.285 6.358 -2.864 216 HE3 LYS 27 HE3 LYS 27 -1.585 6.337 -4.073 217 HZ1 LYS 27 HZ1 LYS 27 -2.810 7.716 -2.332 218 HZ2 LYS 27 HZ2 LYS 27 -1.321 8.011 -1.707 219 HZ3 LYS 27 HZ3 LYS 27 -1.653 8.448 -3.260 220 H ALA 28 H ALA 28 0.247 2.587 -6.592 221 HA ALA 28 HA ALA 28 -1.806 2.483 -8.606 222 HB1 ALA 28 HB1 ALA 28 0.008 2.791 -10.149 223 HB2 ALA 28 HB2 ALA 28 0.370 3.768 -8.713 224 HB3 ALA 28 HB3 ALA 28 1.202 2.214 -8.956 225 H LYS 29 H LYS 29 0.583 0.134 -7.308 226 HA LYS 29 HA LYS 29 0.091 -1.823 -9.356 227 HB2 LYS 29 HB2 LYS 29 1.229 -2.008 -6.543 228 HB3 LYS 29 HB3 LYS 29 1.203 -3.365 -7.687 229 HG2 LYS 29 HG2 LYS 29 2.512 -0.680 -8.288 230 HG3 LYS 29 HG3 LYS 29 3.375 -2.079 -7.617 231 HD2 LYS 29 HD2 LYS 29 2.640 -3.436 -9.599 232 HD3 LYS 29 HD3 LYS 29 1.943 -1.951 -10.292 233 HE2 LYS 29 HE2 LYS 29 3.984 -1.577 -11.186 234 HE3 LYS 29 HE3 LYS 29 4.497 -1.146 -9.543 235 HZ1 LYS 29 HZ1 LYS 29 5.937 -2.778 -10.456 236 HZ2 LYS 29 HZ2 LYS 29 5.077 -3.475 -9.235 237 HZ3 LYS 29 HZ3 LYS 29 4.685 -3.796 -10.804 238 H ILE 30 H ILE 30 -1.671 -0.812 -6.519 239 HA ILE 30 HA ILE 30 -3.149 -3.357 -6.367 240 HB ILE 30 HB ILE 30 -3.355 -0.722 -4.848 241 HG12 ILE 30 HG12 ILE 30 -2.384 -3.480 -3.969 242 HG13 ILE 30 HG13 ILE 30 -1.318 -2.153 -4.480 243 HG21 ILE 30 HG21 ILE 30 -4.805 -3.377 -4.448 244 HG22 ILE 30 HG22 ILE 30 -4.836 -2.015 -3.303 245 HG23 ILE 30 HG23 ILE 30 -5.548 -1.829 -4.920 246 HD11 ILE 30 HD11 ILE 30 -1.335 -1.455 -2.337 247 HD12 ILE 30 HD12 ILE 30 -3.007 -0.941 -2.618 248 HD13 ILE 30 HD13 ILE 30 -2.686 -2.545 -1.918 249 H GLN 31 H GLN 31 -3.324 -0.243 -7.950 250 HA GLN 31 HA GLN 31 -6.145 -0.081 -8.281 251 HB2 GLN 31 HB2 GLN 31 -4.549 1.761 -8.768 252 HB3 GLN 31 HB3 GLN 31 -3.896 0.819 -10.128 253 HG2 GLN 31 HG2 GLN 31 -6.194 0.771 -11.131 254 HG3 GLN 31 HG3 GLN 31 -6.750 1.838 -9.827 255 HE21 GLN 31 HE21 GLN 31 -4.038 3.313 -12.630 256 HE22 GLN 31 HE22 GLN 31 -3.997 1.627 -12.162 257 H ASP 32 H ASP 32 -3.585 -1.916 -9.928 258 HA ASP 32 HA ASP 32 -5.322 -2.783 -12.091 259 HB2 ASP 32 HB2 ASP 32 -2.888 -2.475 -12.371 260 HB3 ASP 32 HB3 ASP 32 -2.586 -3.733 -11.156 261 H LYS 33 H LYS 33 -4.467 -3.925 -8.854 262 HA LYS 33 HA LYS 33 -5.412 -6.626 -9.533 263 HB2 LYS 33 HB2 LYS 33 -3.264 -6.202 -8.286 264 HB3 LYS 33 HB3 LYS 33 -4.237 -5.595 -6.929 265 HG2 LYS 33 HG2 LYS 33 -3.686 -7.947 -6.555 266 HG3 LYS 33 HG3 LYS 33 -5.431 -7.799 -6.857 267 HD2 LYS 33 HD2 LYS 33 -5.102 -8.483 -9.202 268 HD3 LYS 33 HD3 LYS 33 -3.343 -8.555 -8.950 269 HE2 LYS 33 HE2 LYS 33 -3.647 -10.320 -7.261 270 HE3 LYS 33 HE3 LYS 33 -5.408 -10.225 -7.459 271 HZ1 LYS 33 HZ1 LYS 33 -4.444 -12.018 -8.716 272 HZ2 LYS 33 HZ2 LYS 33 -5.147 -10.912 -9.717 273 HZ3 LYS 33 HZ3 LYS 33 -3.504 -10.966 -9.570 274 H GLU 34 H GLU 34 -6.128 -4.028 -7.120 275 HA GLU 34 HA GLU 34 -8.545 -5.513 -6.312 276 HB2 GLU 34 HB2 GLU 34 -6.908 -4.418 -4.688 277 HB3 GLU 34 HB3 GLU 34 -7.509 -2.851 -5.271 278 HG2 GLU 34 HG2 GLU 34 -8.681 -3.571 -3.212 279 HG3 GLU 34 HG3 GLU 34 -9.798 -3.471 -4.585 280 H GLY 35 H GLY 35 -7.551 -3.026 -8.485 281 HA2 GLY 35 HA2 GLY 35 -8.839 -2.016 -10.119 282 HA3 GLY 35 HA3 GLY 35 -10.302 -2.656 -9.356 283 H ILE 36 H ILE 36 -8.868 -1.353 -6.756 284 HA ILE 36 HA ILE 36 -10.555 0.996 -6.834 285 HB ILE 36 HB ILE 36 -8.484 0.090 -4.800 286 HG12 ILE 36 HG12 ILE 36 -11.502 -0.329 -4.869 287 HG13 ILE 36 HG13 ILE 36 -10.298 -1.574 -5.264 288 HG21 ILE 36 HG21 ILE 36 -10.839 2.017 -4.578 289 HG22 ILE 36 HG22 ILE 36 -9.739 1.553 -3.258 290 HG23 ILE 36 HG23 ILE 36 -9.124 2.489 -4.635 291 HD11 ILE 36 HD11 ILE 36 -9.310 -1.290 -2.978 292 HD12 ILE 36 HD12 ILE 36 -10.624 -0.152 -2.589 293 HD13 ILE 36 HD13 ILE 36 -10.997 -1.852 -2.944 294 HA PRO 37 HA PRO 37 -7.391 3.556 -8.705 295 HB2 PRO 37 HB2 PRO 37 -9.294 5.728 -7.955 296 HB3 PRO 37 HB3 PRO 37 -8.597 5.342 -9.561 297 HG2 PRO 37 HG2 PRO 37 -11.212 4.788 -8.922 298 HG3 PRO 37 HG3 PRO 37 -10.242 3.735 -10.005 299 HD2 PRO 37 HD2 PRO 37 -10.941 3.333 -7.106 300 HD3 PRO 37 HD3 PRO 37 -10.790 2.128 -8.420 301 HA PRO 38 HA PRO 38 -5.258 5.388 -5.298 302 HB2 PRO 38 HB2 PRO 38 -5.032 7.968 -6.776 303 HB3 PRO 38 HB3 PRO 38 -3.730 6.908 -6.147 304 HG2 PRO 38 HG2 PRO 38 -4.337 7.077 -8.826 305 HG3 PRO 38 HG3 PRO 38 -3.759 5.561 -8.059 306 HD2 PRO 38 HD2 PRO 38 -6.551 6.325 -8.864 307 HD3 PRO 38 HD3 PRO 38 -5.756 4.720 -8.877 308 H ASP 39 H ASP 39 -5.285 7.301 -3.771 309 HA ASP 39 HA ASP 39 -6.275 8.870 -2.488 310 HB2 ASP 39 HB2 ASP 39 -6.675 10.021 -4.674 311 HB3 ASP 39 HB3 ASP 39 -8.281 9.265 -4.729 312 H GLN 40 H GLN 40 -8.642 6.689 -4.115 313 HA GLN 40 HA GLN 40 -10.579 6.863 -2.007 314 HB2 GLN 40 HB2 GLN 40 -9.994 4.767 -4.135 315 HB3 GLN 40 HB3 GLN 40 -11.376 4.676 -3.020 316 HG2 GLN 40 HG2 GLN 40 -12.184 6.867 -3.817 317 HG3 GLN 40 HG3 GLN 40 -10.797 6.989 -4.917 318 HE21 GLN 40 HE21 GLN 40 -12.671 5.506 -7.481 319 HE22 GLN 40 HE22 GLN 40 -11.612 6.791 -6.949 320 H GLN 41 H GLN 41 -7.474 5.403 -2.274 321 HA GLN 41 HA GLN 41 -8.002 3.759 0.148 322 HB2 GLN 41 HB2 GLN 41 -6.235 2.268 -0.626 323 HB3 GLN 41 HB3 GLN 41 -7.446 2.458 -1.912 324 HG2 GLN 41 HG2 GLN 41 -6.003 4.259 -2.918 325 HG3 GLN 41 HG3 GLN 41 -4.765 3.891 -1.702 326 HE21 GLN 41 HE21 GLN 41 -5.126 1.642 -5.076 327 HE22 GLN 41 HE22 GLN 41 -6.097 3.064 -4.773 328 H ARG 42 H ARG 42 -6.194 3.639 1.673 329 HA ARG 42 HA ARG 42 -4.085 5.677 1.402 330 HB2 ARG 42 HB2 ARG 42 -6.468 6.023 3.017 331 HB3 ARG 42 HB3 ARG 42 -5.037 5.919 4.069 332 HG2 ARG 42 HG2 ARG 42 -3.926 7.694 2.835 333 HG3 ARG 42 HG3 ARG 42 -5.216 7.709 1.609 334 HD2 ARG 42 HD2 ARG 42 -5.733 8.288 4.545 335 HD3 ARG 42 HD3 ARG 42 -5.314 9.543 3.361 336 HE ARG 42 HE ARG 42 -7.483 7.947 2.391 337 HH11 ARG 42 HH11 ARG 42 -6.565 10.653 4.468 338 HH12 ARG 42 HH12 ARG 42 -8.091 11.486 4.280 339 HH21 ARG 42 HH21 ARG 42 -9.465 9.050 2.100 340 HH22 ARG 42 HH22 ARG 42 -9.748 10.593 2.862 341 H LEU 43 H LEU 43 -2.208 5.100 2.480 342 HA LEU 43 HA LEU 43 -2.238 2.317 3.515 343 HB2 LEU 43 HB2 LEU 43 -0.224 4.093 2.119 344 HB3 LEU 43 HB3 LEU 43 0.308 2.672 3.041 345 HG LEU 43 HG LEU 43 -1.814 2.511 0.876 346 HD11 LEU 43 HD11 LEU 43 -0.020 1.644 -0.578 347 HD12 LEU 43 HD12 LEU 43 0.332 3.313 -0.075 348 HD13 LEU 43 HD13 LEU 43 1.179 1.954 0.702 349 HD21 LEU 43 HD21 LEU 43 -1.240 0.108 0.954 350 HD22 LEU 43 HD22 LEU 43 -0.016 0.429 2.203 351 HD23 LEU 43 HD23 LEU 43 -1.739 0.667 2.566 352 H ALA 44 H ALA 44 -0.879 1.739 5.288 353 HA ALA 44 HA ALA 44 0.320 3.845 6.925 354 HB1 ALA 44 HB1 ALA 44 -1.951 2.098 7.959 355 HB2 ALA 44 HB2 ALA 44 -0.954 3.197 8.941 356 HB3 ALA 44 HB3 ALA 44 -2.032 3.855 7.688 357 H PHE 45 H PHE 45 1.424 2.771 8.872 358 HA PHE 45 HA PHE 45 1.973 -0.102 8.480 359 HB2 PHE 45 HB2 PHE 45 3.641 1.279 7.167 360 HB3 PHE 45 HB3 PHE 45 4.189 1.963 8.702 361 HD1 PHE 45 HD1 PHE 45 4.854 0.170 10.550 362 HD2 PHE 45 HD2 PHE 45 4.691 -0.618 6.328 363 HE1 PHE 45 HE1 PHE 45 6.357 -1.777 10.853 364 HE2 PHE 45 HE2 PHE 45 6.196 -2.563 6.633 365 HZ PHE 45 HZ PHE 45 7.029 -3.144 8.895 366 H ALA 46 H ALA 46 1.443 -0.926 10.433 367 HA ALA 46 HA ALA 46 1.188 -1.126 12.685 368 HB1 ALA 46 HB1 ALA 46 3.633 -1.392 12.523 369 HB2 ALA 46 HB2 ALA 46 3.839 0.364 12.733 370 HB3 ALA 46 HB3 ALA 46 3.158 -0.617 14.052 371 H GLY 47 H GLY 47 0.256 1.422 11.248 372 HA2 GLY 47 HA2 GLY 47 -1.339 2.867 12.268 373 HA3 GLY 47 HA3 GLY 47 -0.358 2.899 13.746 374 H LYS 48 H LYS 48 2.040 3.164 11.626 375 HA LYS 48 HA LYS 48 2.114 6.071 11.786 376 HB2 LYS 48 HB2 LYS 48 3.977 4.093 10.403 377 HB3 LYS 48 HB3 LYS 48 4.314 5.810 10.722 378 HG2 LYS 48 HG2 LYS 48 4.055 5.381 13.164 379 HG3 LYS 48 HG3 LYS 48 3.806 3.654 12.820 380 HD2 LYS 48 HD2 LYS 48 6.049 3.506 11.820 381 HD3 LYS 48 HD3 LYS 48 6.293 5.252 12.071 382 HE2 LYS 48 HE2 LYS 48 6.016 4.928 14.516 383 HE3 LYS 48 HE3 LYS 48 5.820 3.184 14.259 384 HZ1 LYS 48 HZ1 LYS 48 8.053 3.781 14.878 385 HZ2 LYS 48 HZ2 LYS 48 8.025 3.118 13.370 386 HZ3 LYS 48 HZ3 LYS 48 8.206 4.748 13.552 387 H GLN 49 H GLN 49 1.239 7.417 10.325 388 HA GLN 49 HA GLN 49 -0.038 6.445 7.960 389 HB2 GLN 49 HB2 GLN 49 -0.440 8.844 7.521 390 HB3 GLN 49 HB3 GLN 49 -0.800 8.420 9.208 391 HG2 GLN 49 HG2 GLN 49 1.503 9.226 9.838 392 HG3 GLN 49 HG3 GLN 49 1.719 9.781 8.165 393 HE21 GLN 49 HE21 GLN 49 0.494 12.913 9.240 394 HE22 GLN 49 HE22 GLN 49 1.843 11.995 8.612 395 H LEU 50 H LEU 50 0.575 6.521 5.803 396 HA LEU 50 HA LEU 50 3.471 6.960 5.347 397 HB2 LEU 50 HB2 LEU 50 1.357 5.726 3.534 398 HB3 LEU 50 HB3 LEU 50 3.112 5.742 3.264 399 HG LEU 50 HG LEU 50 1.581 4.294 5.456 400 HD11 LEU 50 HD11 LEU 50 2.186 3.528 2.897 401 HD12 LEU 50 HD12 LEU 50 3.632 2.978 3.752 402 HD13 LEU 50 HD13 LEU 50 2.036 2.388 4.269 403 HD21 LEU 50 HD21 LEU 50 4.543 4.861 5.151 404 HD22 LEU 50 HD22 LEU 50 3.519 5.111 6.576 405 HD23 LEU 50 HD23 LEU 50 3.936 3.458 6.077 406 H GLU 51 H GLU 51 4.161 8.200 3.469 407 HA GLU 51 HA GLU 51 2.147 10.031 2.324 408 HB2 GLU 51 HB2 GLU 51 3.074 11.055 4.434 409 HB3 GLU 51 HB3 GLU 51 4.689 10.999 3.696 410 HG2 GLU 51 HG2 GLU 51 3.909 12.436 1.853 411 HG3 GLU 51 HG3 GLU 51 2.268 12.437 2.531 412 H ASP 52 H ASP 52 2.871 11.009 0.343 413 HA ASP 52 HA ASP 52 4.919 9.411 -1.028 414 HB2 ASP 52 HB2 ASP 52 4.079 10.514 -3.037 415 HB3 ASP 52 HB3 ASP 52 2.727 9.861 -2.092 416 H GLY 53 H GLY 53 6.492 10.593 -2.473 417 HA2 GLY 53 HA2 GLY 53 7.708 12.604 -2.958 418 HA3 GLY 53 HA3 GLY 53 7.316 13.214 -1.338 419 H ARG 54 H ARG 54 8.004 9.973 -0.944 420 HA ARG 54 HA ARG 54 10.927 10.419 -0.717 421 HB2 ARG 54 HB2 ARG 54 9.894 10.982 1.453 422 HB3 ARG 54 HB3 ARG 54 9.097 9.396 1.492 423 HG2 ARG 54 HG2 ARG 54 11.282 8.271 1.543 424 HG3 ARG 54 HG3 ARG 54 12.111 9.841 1.403 425 HD2 ARG 54 HD2 ARG 54 11.135 10.571 3.536 426 HD3 ARG 54 HD3 ARG 54 10.236 9.046 3.668 427 HE ARG 54 HE ARG 54 12.847 8.223 3.423 428 HH11 ARG 54 HH11 ARG 54 11.172 10.509 5.545 429 HH12 ARG 54 HH12 ARG 54 12.255 10.251 6.894 430 HH21 ARG 54 HH21 ARG 54 14.246 7.862 5.208 431 HH22 ARG 54 HH22 ARG 54 13.993 8.715 6.714 432 H THR 55 H THR 55 12.156 8.444 -0.623 433 HA THR 55 HA THR 55 11.187 6.358 -2.312 434 HB THR 55 HB THR 55 13.492 6.377 -0.322 435 HG1 THR 55 HG1 THR 55 14.670 7.006 -2.212 436 HG21 THR 55 HG21 THR 55 13.808 4.912 -2.847 437 HG22 THR 55 HG22 THR 55 14.144 4.400 -1.186 438 HG23 THR 55 HG23 THR 55 12.492 4.263 -1.829 439 H LEU 56 H LEU 56 9.747 4.792 -1.796 440 HA LEU 56 HA LEU 56 8.677 4.598 0.808 441 HB2 LEU 56 HB2 LEU 56 7.412 2.700 -0.081 442 HB3 LEU 56 HB3 LEU 56 7.478 4.023 -1.259 443 HG LEU 56 HG LEU 56 9.642 2.668 -2.102 444 HD11 LEU 56 HD11 LEU 56 9.421 0.895 -0.352 445 HD12 LEU 56 HD12 LEU 56 7.784 0.538 -0.945 446 HD13 LEU 56 HD13 LEU 56 9.193 0.236 -1.986 447 HD21 LEU 56 HD21 LEU 56 6.733 1.974 -2.683 448 HD22 LEU 56 HD22 LEU 56 7.693 3.252 -3.466 449 HD23 LEU 56 HD23 LEU 56 8.111 1.543 -3.720 450 H SER 57 H SER 57 11.341 2.826 -0.766 451 HA SER 57 HA SER 57 11.395 0.740 1.219 452 HB2 SER 57 HB2 SER 57 13.587 0.203 0.184 453 HB3 SER 57 HB3 SER 57 12.308 0.424 -1.033 454 HG SER 57 HG SER 57 14.200 1.554 -1.596 455 H ASP 58 H ASP 58 12.491 4.039 1.129 456 HA ASP 58 HA ASP 58 14.417 3.595 3.326 457 HB2 ASP 58 HB2 ASP 58 15.032 5.094 1.465 458 HB3 ASP 58 HB3 ASP 58 13.601 6.093 1.792 459 H TYR 59 H TYR 59 11.092 4.317 2.804 460 HA TYR 59 HA TYR 59 10.794 6.068 5.088 461 HB2 TYR 59 HB2 TYR 59 9.360 5.489 2.791 462 HB3 TYR 59 HB3 TYR 59 8.381 4.737 4.053 463 HD1 TYR 59 HD1 TYR 59 8.047 7.329 2.167 464 HD2 TYR 59 HD2 TYR 59 8.983 6.678 6.313 465 HE1 TYR 59 HE1 TYR 59 7.101 9.553 2.725 466 HE2 TYR 59 HE2 TYR 59 8.050 8.903 6.879 467 HH TYR 59 HH TYR 59 7.092 10.834 6.072 468 H ASN 60 H ASN 60 9.191 2.892 4.410 469 HA ASN 60 HA ASN 60 9.947 1.917 7.068 470 HB2 ASN 60 HB2 ASN 60 7.214 2.941 6.396 471 HB3 ASN 60 HB3 ASN 60 7.326 1.438 7.334 472 HD21 ASN 60 HD21 ASN 60 7.947 4.991 9.159 473 HD22 ASN 60 HD22 ASN 60 7.366 4.843 7.515 474 H ILE 61 H ILE 61 8.651 1.480 3.828 475 HA ILE 61 HA ILE 61 7.665 -1.161 4.049 476 HB ILE 61 HB ILE 61 8.924 0.439 1.800 477 HG12 ILE 61 HG12 ILE 61 6.587 -0.039 0.856 478 HG13 ILE 61 HG13 ILE 61 6.157 -0.664 2.462 479 HG21 ILE 61 HG21 ILE 61 8.311 -1.451 0.292 480 HG22 ILE 61 HG22 ILE 61 9.610 -1.887 1.423 481 HG23 ILE 61 HG23 ILE 61 7.945 -2.445 1.721 482 HD11 ILE 61 HD11 ILE 61 5.579 1.785 2.035 483 HD12 ILE 61 HD12 ILE 61 6.586 1.495 3.477 484 HD13 ILE 61 HD13 ILE 61 7.322 2.110 1.982 485 H GLN 62 H GLN 62 8.622 -3.146 4.171 486 HA GLN 62 HA GLN 62 11.579 -3.265 3.904 487 HB2 GLN 62 HB2 GLN 62 9.845 -4.223 6.201 488 HB3 GLN 62 HB3 GLN 62 11.437 -4.937 5.861 489 HG2 GLN 62 HG2 GLN 62 12.477 -2.692 5.993 490 HG3 GLN 62 HG3 GLN 62 10.893 -1.986 6.374 491 HE21 GLN 62 HE21 GLN 62 11.210 -2.574 9.808 492 HE22 GLN 62 HE22 GLN 62 10.539 -1.637 8.490 493 H LYS 63 H LYS 63 12.285 -5.630 3.791 494 HA LYS 63 HA LYS 63 11.097 -6.808 1.542 495 HB2 LYS 63 HB2 LYS 63 12.530 -8.781 2.151 496 HB3 LYS 63 HB3 LYS 63 13.393 -7.232 2.102 497 HG2 LYS 63 HG2 LYS 63 13.233 -7.044 4.561 498 HG3 LYS 63 HG3 LYS 63 12.360 -8.592 4.627 499 HD2 LYS 63 HD2 LYS 63 14.295 -9.741 3.617 500 HD3 LYS 63 HD3 LYS 63 15.172 -8.195 3.528 501 HE2 LYS 63 HE2 LYS 63 15.080 -7.976 5.973 502 HE3 LYS 63 HE3 LYS 63 14.139 -9.477 6.092 503 HZ1 LYS 63 HZ1 LYS 63 16.484 -9.794 6.521 504 HZ2 LYS 63 HZ2 LYS 63 15.988 -10.663 5.210 505 HZ3 LYS 63 HZ3 LYS 63 16.860 -9.278 5.002 506 H GLU 64 H GLU 64 9.272 -7.890 1.267 507 HA GLU 64 HA GLU 64 7.324 -8.978 1.769 508 HB2 GLU 64 HB2 GLU 64 9.411 -10.725 3.126 509 HB3 GLU 64 HB3 GLU 64 7.757 -11.231 2.717 510 HG2 GLU 64 HG2 GLU 64 9.033 -11.971 0.881 511 HG3 GLU 64 HG3 GLU 64 8.297 -10.465 0.308 512 H SER 65 H SER 65 7.548 -6.799 3.487 513 HA SER 65 HA SER 65 6.763 -7.887 6.127 514 HB2 SER 65 HB2 SER 65 8.473 -5.939 5.695 515 HB3 SER 65 HB3 SER 65 7.006 -4.953 5.486 516 HG SER 65 HG SER 65 7.942 -6.357 7.742 517 H THR 66 H THR 66 4.889 -6.597 7.184 518 HA THR 66 HA THR 66 2.664 -6.708 5.238 519 HB THR 66 HB THR 66 2.637 -6.754 8.280 520 HG1 THR 66 HG1 THR 66 2.386 -8.985 7.972 521 HG21 THR 66 HG21 THR 66 0.357 -7.687 7.922 522 HG22 THR 66 HG22 THR 66 0.510 -6.044 7.260 523 HG23 THR 66 HG23 THR 66 0.547 -7.449 6.169 524 H LEU 67 H LEU 67 1.426 -4.984 4.753 525 HA LEU 67 HA LEU 67 1.826 -2.484 6.336 526 HB2 LEU 67 HB2 LEU 67 1.615 -2.999 3.380 527 HB3 LEU 67 HB3 LEU 67 0.862 -1.535 4.037 528 HG LEU 67 HG LEU 67 3.057 -1.021 5.199 529 HD11 LEU 67 HD11 LEU 67 4.063 -3.162 3.271 530 HD12 LEU 67 HD12 LEU 67 5.085 -2.062 4.221 531 HD13 LEU 67 HD13 LEU 67 4.082 -3.272 5.046 532 HD21 LEU 67 HD21 LEU 67 2.291 0.102 3.133 533 HD22 LEU 67 HD22 LEU 67 4.058 -0.101 3.140 534 HD23 LEU 67 HD23 LEU 67 3.042 -1.183 2.157 535 H HIS 68 H HIS 68 -0.197 -0.991 5.925 536 HA HIS 68 HA HIS 68 -2.657 -2.658 6.131 537 HB2 HIS 68 HB2 HIS 68 -2.010 -2.003 8.368 538 HB3 HIS 68 HB3 HIS 68 -1.737 -0.332 7.849 539 HD1 HIS 68 HD1 HIS 68 -4.877 -2.551 7.263 540 HD2 HIS 68 HD2 HIS 68 -3.594 1.096 8.920 541 HE1 HIS 68 HE1 HIS 68 -6.984 -1.286 7.961 542 H LEU 69 H LEU 69 -4.317 -1.989 4.877 543 HA LEU 69 HA LEU 69 -4.091 0.719 3.654 544 HB2 LEU 69 HB2 LEU 69 -3.585 -1.127 2.062 545 HB3 LEU 69 HB3 LEU 69 -5.165 -1.848 2.425 546 HG LEU 69 HG LEU 69 -6.225 0.339 1.663 547 HD11 LEU 69 HD11 LEU 69 -3.482 1.146 1.611 548 HD12 LEU 69 HD12 LEU 69 -4.049 1.116 -0.069 549 HD13 LEU 69 HD13 LEU 69 -4.910 2.095 1.138 550 HD21 LEU 69 HD21 LEU 69 -5.957 -0.202 -0.728 551 HD22 LEU 69 HD22 LEU 69 -4.527 -1.192 -0.351 552 HD23 LEU 69 HD23 LEU 69 -6.132 -1.680 0.243 553 H ALA 70 H ALA 70 -5.981 1.912 3.469 554 HA ALA 70 HA ALA 70 -8.433 0.728 4.685 555 HB1 ALA 70 HB1 ALA 70 -7.694 2.198 6.365 556 HB2 ALA 70 HB2 ALA 70 -7.048 3.377 5.185 557 HB3 ALA 70 HB3 ALA 70 -8.804 3.202 5.417 558 H LEU 71 H LEU 71 -10.347 1.229 3.631 559 HA LEU 71 HA LEU 71 -10.012 2.676 1.043 560 HB2 LEU 71 HB2 LEU 71 -11.793 0.330 1.828 561 HB3 LEU 71 HB3 LEU 71 -11.954 1.236 0.318 562 HG LEU 71 HG LEU 71 -10.699 -0.685 -0.230 563 HD11 LEU 71 HD11 LEU 71 -9.813 1.487 -1.116 564 HD12 LEU 71 HD12 LEU 71 -8.635 1.506 0.218 565 HD13 LEU 71 HD13 LEU 71 -8.579 0.211 -0.996 566 HD21 LEU 71 HD21 LEU 71 -10.076 -1.293 2.117 567 HD22 LEU 71 HD22 LEU 71 -8.746 -1.477 0.952 568 HD23 LEU 71 HD23 LEU 71 -8.775 -0.081 2.045 569 H ARG 72 H ARG 72 -12.372 3.321 0.235 570 HA ARG 72 HA ARG 72 -13.312 5.365 1.968 571 HB2 ARG 72 HB2 ARG 72 -15.191 5.504 0.350 572 HB3 ARG 72 HB3 ARG 72 -13.617 5.414 -0.472 573 HG2 ARG 72 HG2 ARG 72 -13.928 3.008 -0.864 574 HG3 ARG 72 HG3 ARG 72 -15.464 3.035 0.031 575 HD2 ARG 72 HD2 ARG 72 -14.893 4.665 -2.479 576 HD3 ARG 72 HD3 ARG 72 -15.757 3.114 -2.457 577 HE ARG 72 HE ARG 72 -16.963 4.941 -0.609 578 HH11 ARG 72 HH11 ARG 72 -16.612 4.274 -4.058 579 HH12 ARG 72 HH12 ARG 72 -18.162 4.957 -4.492 580 HH21 ARG 72 HH21 ARG 72 -19.004 5.851 -1.170 581 HH22 ARG 72 HH22 ARG 72 -19.524 5.879 -2.839 582 H LEU 73 H LEU 73 -15.683 5.474 2.730 583 HA LEU 73 HA LEU 73 -16.127 3.242 4.507 584 HB2 LEU 73 HB2 LEU 73 -17.881 5.626 3.779 585 HB3 LEU 73 HB3 LEU 73 -18.153 4.530 5.149 586 HG LEU 73 HG LEU 73 -15.666 6.250 4.740 587 HD11 LEU 73 HD11 LEU 73 -16.568 7.552 6.644 588 HD12 LEU 73 HD12 LEU 73 -17.681 7.580 5.256 589 HD13 LEU 73 HD13 LEU 73 -18.025 6.530 6.650 590 HD21 LEU 73 HD21 LEU 73 -15.181 5.581 7.093 591 HD22 LEU 73 HD22 LEU 73 -16.586 4.489 7.055 592 HD23 LEU 73 HD23 LEU 73 -15.191 4.186 5.992 593 H ARG 74 H ARG 74 -18.163 1.985 4.591 594 HA ARG 74 HA ARG 74 -18.906 1.081 1.903 595 HB2 ARG 74 HB2 ARG 74 -18.407 -0.501 3.781 596 HB3 ARG 74 HB3 ARG 74 -19.853 0.099 4.627 597 HG2 ARG 74 HG2 ARG 74 -21.291 -0.651 2.813 598 HG3 ARG 74 HG3 ARG 74 -19.884 -1.035 1.799 599 HD2 ARG 74 HD2 ARG 74 -20.750 -3.097 2.743 600 HD3 ARG 74 HD3 ARG 74 -19.172 -2.743 3.473 601 HE ARG 74 HE ARG 74 -21.440 -1.712 4.992 602 HH11 ARG 74 HH11 ARG 74 -19.463 -4.569 4.331 603 HH12 ARG 74 HH12 ARG 74 -19.783 -5.312 5.883 604 HH21 ARG 74 HH21 ARG 74 -21.864 -2.687 7.021 605 HH22 ARG 74 HH22 ARG 74 -21.168 -4.244 7.416 606 H GLY 75 H GLY 75 -20.221 2.941 4.611 607 HA2 GLY 75 HA2 GLY 75 -21.930 4.536 4.401 608 HA3 GLY 75 HA3 GLY 75 -22.479 3.756 2.901 609 H GLY 76 H GLY 76 -21.915 1.238 4.959 610 HA2 GLY 76 HA2 GLY 76 -23.815 1.150 6.931 611 HA3 GLY 76 HA3 GLY 76 -24.737 0.807 5.448 Start of MODEL 19 1 H1 MET 1 H MET 1 11.647 -8.212 -0.897 2 HA MET 1 HA MET 1 12.118 -8.506 -3.806 3 HB2 MET 1 HB2 MET 1 12.656 -10.559 -2.567 4 HB3 MET 1 HB3 MET 1 11.052 -10.533 -1.805 5 HG2 MET 1 HG2 MET 1 10.023 -10.632 -4.076 6 HG3 MET 1 HG3 MET 1 11.638 -10.800 -4.774 7 HE1 MET 1 HE1 MET 1 9.797 -14.290 -5.169 8 HE2 MET 1 HE2 MET 1 8.991 -12.707 -5.078 9 HE3 MET 1 HE3 MET 1 10.489 -12.890 -6.021 10 H GLN 2 H GLN 2 9.483 -9.249 -1.452 11 HA GLN 2 HA GLN 2 7.655 -7.568 -3.093 12 HB2 GLN 2 HB2 GLN 2 7.297 -10.446 -2.194 13 HB3 GLN 2 HB3 GLN 2 5.920 -9.398 -2.610 14 HG2 GLN 2 HG2 GLN 2 6.837 -9.003 -4.841 15 HG3 GLN 2 HG3 GLN 2 8.281 -9.951 -4.449 16 HE21 GLN 2 HE21 GLN 2 5.910 -12.108 -6.396 17 HE22 GLN 2 HE22 GLN 2 6.731 -10.587 -6.674 18 H ILE 3 H ILE 3 5.454 -7.459 -1.753 19 HA ILE 3 HA ILE 3 6.038 -7.316 1.145 20 HB ILE 3 HB ILE 3 4.985 -5.087 1.277 21 HG12 ILE 3 HG12 ILE 3 5.133 -5.113 -1.763 22 HG13 ILE 3 HG13 ILE 3 3.636 -5.359 -0.839 23 HG21 ILE 3 HG21 ILE 3 6.885 -3.820 0.389 24 HG22 ILE 3 HG22 ILE 3 7.462 -5.356 1.069 25 HG23 ILE 3 HG23 ILE 3 7.310 -5.165 -0.694 26 HD11 ILE 3 HD11 ILE 3 4.124 -2.971 -1.691 27 HD12 ILE 3 HD12 ILE 3 3.676 -3.143 0.029 28 HD13 ILE 3 HD13 ILE 3 5.373 -2.901 -0.443 29 H PHE 4 H PHE 4 3.806 -6.708 2.284 30 HA PHE 4 HA PHE 4 1.614 -8.111 0.841 31 HB2 PHE 4 HB2 PHE 4 2.611 -8.588 3.669 32 HB3 PHE 4 HB3 PHE 4 1.063 -9.178 3.053 33 HD1 PHE 4 HD1 PHE 4 0.916 -11.167 1.789 34 HD2 PHE 4 HD2 PHE 4 4.756 -9.389 2.542 35 HE1 PHE 4 HE1 PHE 4 2.030 -13.190 0.885 36 HE2 PHE 4 HE2 PHE 4 5.868 -11.405 1.620 37 HZ PHE 4 HZ PHE 4 4.505 -13.305 0.791 38 H VAL 5 H VAL 5 0.211 -6.474 0.502 39 HA VAL 5 HA VAL 5 -0.243 -4.509 2.670 40 HB VAL 5 HB VAL 5 -1.292 -4.641 -0.191 41 HG11 VAL 5 HG11 VAL 5 -1.888 -2.264 0.230 42 HG12 VAL 5 HG12 VAL 5 -2.748 -3.359 1.337 43 HG13 VAL 5 HG13 VAL 5 -1.341 -2.434 1.915 44 HG21 VAL 5 HG21 VAL 5 0.353 -2.832 -0.610 45 HG22 VAL 5 HG22 VAL 5 0.953 -2.997 1.057 46 HG23 VAL 5 HG23 VAL 5 1.159 -4.334 -0.101 47 H LYS 6 H LYS 6 -1.853 -4.873 4.094 48 HA LYS 6 HA LYS 6 -3.930 -6.848 3.322 49 HB2 LYS 6 HB2 LYS 6 -2.483 -7.298 5.311 50 HB3 LYS 6 HB3 LYS 6 -3.124 -5.827 6.075 51 HG2 LYS 6 HG2 LYS 6 -5.395 -6.749 6.020 52 HG3 LYS 6 HG3 LYS 6 -4.821 -8.174 5.119 53 HD2 LYS 6 HD2 LYS 6 -3.347 -8.779 7.017 54 HD3 LYS 6 HD3 LYS 6 -3.942 -7.370 7.925 55 HE2 LYS 6 HE2 LYS 6 -6.230 -8.267 7.840 56 HE3 LYS 6 HE3 LYS 6 -5.670 -9.667 6.900 57 HZ1 LYS 6 HZ1 LYS 6 -4.547 -9.031 9.523 58 HZ2 LYS 6 HZ2 LYS 6 -5.924 -9.937 9.369 59 HZ3 LYS 6 HZ3 LYS 6 -4.507 -10.456 8.704 60 H THR 7 H THR 7 -5.794 -6.005 2.638 61 HA THR 7 HA THR 7 -6.472 -3.242 2.936 62 HB THR 7 HB THR 7 -8.642 -3.989 1.960 63 HG1 THR 7 HG1 THR 7 -8.874 -6.200 1.547 64 HG21 THR 7 HG21 THR 7 -6.190 -5.278 0.683 65 HG22 THR 7 HG22 THR 7 -7.711 -4.872 -0.146 66 HG23 THR 7 HG23 THR 7 -6.676 -3.578 0.496 67 H ALA 8 H ALA 8 -8.795 -2.693 3.811 68 HA ALA 8 HA ALA 8 -8.769 -3.252 6.640 69 HB1 ALA 8 HB1 ALA 8 -10.800 -1.844 6.644 70 HB2 ALA 8 HB2 ALA 8 -9.492 -1.088 5.704 71 HB3 ALA 8 HB3 ALA 8 -10.839 -1.896 4.866 72 H THR 9 H THR 9 -9.938 -4.988 3.932 73 HA THR 9 HA THR 9 -12.192 -6.202 5.387 74 HB THR 9 HB THR 9 -12.433 -7.521 3.278 75 HG1 THR 9 HG1 THR 9 -11.092 -6.763 1.525 76 HG21 THR 9 HG21 THR 9 -12.143 -4.510 2.893 77 HG22 THR 9 HG22 THR 9 -13.089 -5.606 1.859 78 HG23 THR 9 HG23 THR 9 -13.574 -5.341 3.550 79 H GLY 10 H GLY 10 -8.880 -6.452 5.476 80 HA2 GLY 10 HA2 GLY 10 -7.641 -7.985 6.688 81 HA3 GLY 10 HA3 GLY 10 -9.035 -9.083 6.730 82 H LYS 11 H LYS 11 -8.773 -8.133 3.550 83 HA LYS 11 HA LYS 11 -7.646 -10.699 2.778 84 HB2 LYS 11 HB2 LYS 11 -8.542 -8.279 1.163 85 HB3 LYS 11 HB3 LYS 11 -8.088 -9.858 0.480 86 HG2 LYS 11 HG2 LYS 11 -9.878 -10.934 1.843 87 HG3 LYS 11 HG3 LYS 11 -10.362 -9.332 2.444 88 HD2 LYS 11 HD2 LYS 11 -10.815 -8.604 0.115 89 HD3 LYS 11 HD3 LYS 11 -10.349 -10.217 -0.475 90 HE2 LYS 11 HE2 LYS 11 -12.145 -11.233 0.873 91 HE3 LYS 11 HE3 LYS 11 -12.623 -9.633 1.476 92 HZ1 LYS 11 HZ1 LYS 11 -13.669 -10.789 -0.646 93 HZ2 LYS 11 HZ2 LYS 11 -13.595 -9.144 -0.457 94 HZ3 LYS 11 HZ3 LYS 11 -12.479 -9.933 -1.379 95 H THR 12 H THR 12 -5.493 -11.029 2.856 96 HA THR 12 HA THR 12 -3.607 -8.837 2.711 97 HB THR 12 HB THR 12 -3.080 -11.824 2.499 98 HG1 THR 12 HG1 THR 12 -2.931 -11.726 4.763 99 HG21 THR 12 HG21 THR 12 -1.439 -9.476 3.549 100 HG22 THR 12 HG22 THR 12 -0.929 -11.181 3.551 101 HG23 THR 12 HG23 THR 12 -1.171 -10.328 2.009 102 H ILE 13 H ILE 13 -2.304 -8.236 0.984 103 HA ILE 13 HA ILE 13 -2.763 -9.671 -1.582 104 HB ILE 13 HB ILE 13 -2.476 -6.665 -1.236 105 HG12 ILE 13 HG12 ILE 13 -4.986 -8.308 -1.780 106 HG13 ILE 13 HG13 ILE 13 -4.609 -7.474 -0.256 107 HG21 ILE 13 HG21 ILE 13 -1.701 -7.654 -3.391 108 HG22 ILE 13 HG22 ILE 13 -3.304 -8.394 -3.607 109 HG23 ILE 13 HG23 ILE 13 -3.130 -6.623 -3.606 110 HD11 ILE 13 HD11 ILE 13 -4.995 -6.163 -2.980 111 HD12 ILE 13 HD12 ILE 13 -6.098 -6.071 -1.592 112 HD13 ILE 13 HD13 ILE 13 -4.495 -5.309 -1.500 113 H THR 14 H THR 14 -0.864 -10.624 -2.096 114 HA THR 14 HA THR 14 1.694 -9.602 -1.202 115 HB THR 14 HB THR 14 1.043 -11.568 -3.437 116 HG1 THR 14 HG1 THR 14 1.549 -11.996 -0.676 117 HG21 THR 14 HG21 THR 14 3.367 -10.717 -3.435 118 HG22 THR 14 HG22 THR 14 3.526 -11.145 -1.715 119 HG23 THR 14 HG23 THR 14 3.316 -12.423 -2.935 120 H LEU 15 H LEU 15 2.699 -7.842 -2.049 121 HA LEU 15 HA LEU 15 1.910 -7.055 -4.811 122 HB2 LEU 15 HB2 LEU 15 1.082 -5.702 -2.721 123 HB3 LEU 15 HB3 LEU 15 2.750 -5.100 -2.670 124 HG LEU 15 HG LEU 15 2.478 -4.410 -5.098 125 HD11 LEU 15 HD11 LEU 15 0.133 -4.213 -5.922 126 HD12 LEU 15 HD12 LEU 15 0.601 -5.910 -5.678 127 HD13 LEU 15 HD13 LEU 15 -0.432 -5.090 -4.482 128 HD21 LEU 15 HD21 LEU 15 0.517 -3.246 -3.074 129 HD22 LEU 15 HD22 LEU 15 2.239 -2.821 -3.221 130 HD23 LEU 15 HD23 LEU 15 1.110 -2.424 -4.536 131 H GLU 16 H GLU 16 3.506 -5.893 -6.039 132 HA GLU 16 HA GLU 16 6.284 -6.062 -5.027 133 HB2 GLU 16 HB2 GLU 16 5.680 -8.071 -6.449 134 HB3 GLU 16 HB3 GLU 16 5.428 -6.954 -7.808 135 HG2 GLU 16 HG2 GLU 16 7.749 -6.194 -7.657 136 HG3 GLU 16 HG3 GLU 16 8.004 -7.167 -6.195 137 H VAL 17 H VAL 17 7.079 -4.019 -5.118 138 HA VAL 17 HA VAL 17 6.010 -2.248 -7.272 139 HB VAL 17 HB VAL 17 6.079 -0.414 -5.603 140 HG11 VAL 17 HG11 VAL 17 4.464 -2.853 -4.741 141 HG12 VAL 17 HG12 VAL 17 4.142 -1.174 -4.253 142 HG13 VAL 17 HG13 VAL 17 3.979 -1.648 -5.957 143 HG21 VAL 17 HG21 VAL 17 7.835 -1.366 -4.134 144 HG22 VAL 17 HG22 VAL 17 6.368 -0.965 -3.214 145 HG23 VAL 17 HG23 VAL 17 6.714 -2.657 -3.637 146 H GLU 18 H GLU 18 7.394 -0.342 -7.724 147 HA GLU 18 HA GLU 18 10.180 -1.100 -7.974 148 HB2 GLU 18 HB2 GLU 18 8.498 1.308 -8.703 149 HB3 GLU 18 HB3 GLU 18 10.267 1.326 -8.882 150 HG2 GLU 18 HG2 GLU 18 9.220 0.665 -10.993 151 HG3 GLU 18 HG3 GLU 18 10.143 -0.688 -10.314 152 HA PRO 19 HA PRO 19 11.444 0.240 -4.055 153 HB2 PRO 19 HB2 PRO 19 14.060 0.946 -5.318 154 HB3 PRO 19 HB3 PRO 19 13.718 -0.161 -3.951 155 HG2 PRO 19 HG2 PRO 19 14.318 -1.065 -6.476 156 HG3 PRO 19 HG3 PRO 19 13.179 -1.929 -5.392 157 HD2 PRO 19 HD2 PRO 19 12.579 -0.182 -7.755 158 HD3 PRO 19 HD3 PRO 19 11.700 -1.610 -7.130 159 H SER 20 H SER 20 11.856 2.506 -6.786 160 HA SER 20 HA SER 20 12.157 4.687 -4.770 161 HB2 SER 20 HB2 SER 20 13.389 4.537 -7.543 162 HB3 SER 20 HB3 SER 20 13.670 5.787 -6.310 163 HG SER 20 HG SER 20 14.333 3.031 -6.183 164 H ASP 21 H ASP 21 9.814 3.493 -6.581 165 HA ASP 21 HA ASP 21 9.149 5.897 -8.127 166 HB2 ASP 21 HB2 ASP 21 8.657 3.195 -8.436 167 HB3 ASP 21 HB3 ASP 21 7.089 3.816 -7.902 168 H THR 22 H THR 22 9.078 5.330 -4.958 169 HA THR 22 HA THR 22 8.103 6.537 -3.291 170 HB THR 22 HB THR 22 6.192 7.636 -5.389 171 HG1 THR 22 HG1 THR 22 8.353 8.006 -5.949 172 HG21 THR 22 HG21 THR 22 6.094 9.556 -3.832 173 HG22 THR 22 HG22 THR 22 5.482 8.068 -3.085 174 HG23 THR 22 HG23 THR 22 7.112 8.661 -2.676 175 H ILE 23 H ILE 23 6.150 6.555 -1.944 176 HA ILE 23 HA ILE 23 4.886 4.064 -1.738 177 HB ILE 23 HB ILE 23 4.113 6.839 -0.759 178 HG12 ILE 23 HG12 ILE 23 6.286 5.840 0.032 179 HG13 ILE 23 HG13 ILE 23 5.117 6.154 1.329 180 HG21 ILE 23 HG21 ILE 23 2.977 4.125 0.028 181 HG22 ILE 23 HG22 ILE 23 2.672 5.649 0.892 182 HG23 ILE 23 HG23 ILE 23 2.104 5.448 -0.779 183 HD11 ILE 23 HD11 ILE 23 6.245 3.931 1.539 184 HD12 ILE 23 HD12 ILE 23 4.478 3.803 1.405 185 HD13 ILE 23 HD13 ILE 23 5.506 3.440 -0.001 186 H GLU 24 H GLU 24 4.063 6.875 -3.718 187 HA GLU 24 HA GLU 24 1.328 6.396 -4.103 188 HB2 GLU 24 HB2 GLU 24 2.587 8.416 -4.804 189 HB3 GLU 24 HB3 GLU 24 3.359 7.472 -6.099 190 HG2 GLU 24 HG2 GLU 24 1.228 7.071 -7.169 191 HG3 GLU 24 HG3 GLU 24 0.348 7.727 -5.768 192 H ASN 25 H ASN 25 4.162 4.753 -5.448 193 HA ASN 25 HA ASN 25 2.794 3.433 -7.586 194 HB2 ASN 25 HB2 ASN 25 5.246 3.760 -7.398 195 HB3 ASN 25 HB3 ASN 25 5.287 2.617 -6.042 196 HD21 ASN 25 HD21 ASN 25 5.581 1.234 -9.794 197 HD22 ASN 25 HD22 ASN 25 5.689 2.929 -9.377 198 H VAL 26 H VAL 26 3.196 2.745 -4.113 199 HA VAL 26 HA VAL 26 2.452 0.002 -4.237 200 HB VAL 26 HB VAL 26 2.058 2.034 -2.001 201 HG11 VAL 26 HG11 VAL 26 0.773 -0.056 -1.679 202 HG12 VAL 26 HG12 VAL 26 2.249 -1.007 -1.965 203 HG13 VAL 26 HG13 VAL 26 2.130 0.044 -0.534 204 HG21 VAL 26 HG21 VAL 26 4.404 1.917 -2.782 205 HG22 VAL 26 HG22 VAL 26 4.227 1.191 -1.169 206 HG23 VAL 26 HG23 VAL 26 4.375 0.147 -2.601 207 H LYS 27 H LYS 27 0.617 3.028 -4.265 208 HA LYS 27 HA LYS 27 -1.944 1.695 -3.838 209 HB2 LYS 27 HB2 LYS 27 -1.250 4.496 -4.817 210 HB3 LYS 27 HB3 LYS 27 -2.863 3.936 -4.322 211 HG2 LYS 27 HG2 LYS 27 -1.952 3.417 -2.054 212 HG3 LYS 27 HG3 LYS 27 -0.381 4.082 -2.555 213 HD2 LYS 27 HD2 LYS 27 -3.022 5.611 -2.518 214 HD3 LYS 27 HD3 LYS 27 -1.727 5.753 -1.308 215 HE2 LYS 27 HE2 LYS 27 -0.156 6.466 -3.118 216 HE3 LYS 27 HE3 LYS 27 -1.499 6.387 -4.276 217 HZ1 LYS 27 HZ1 LYS 27 -2.604 7.968 -2.624 218 HZ2 LYS 27 HZ2 LYS 27 -1.076 8.262 -2.093 219 HZ3 LYS 27 HZ3 LYS 27 -1.464 8.561 -3.667 220 H ALA 28 H ALA 28 0.138 2.603 -6.548 221 HA ALA 28 HA ALA 28 -1.945 2.559 -8.526 222 HB1 ALA 28 HB1 ALA 28 -0.146 2.838 -10.094 223 HB2 ALA 28 HB2 ALA 28 0.263 3.788 -8.651 224 HB3 ALA 28 HB3 ALA 28 1.050 2.216 -8.927 225 H LYS 29 H LYS 29 0.390 0.123 -7.288 226 HA LYS 29 HA LYS 29 -0.195 -1.755 -9.400 227 HB2 LYS 29 HB2 LYS 29 1.007 -2.156 -6.634 228 HB3 LYS 29 HB3 LYS 29 1.036 -3.347 -7.950 229 HG2 LYS 29 HG2 LYS 29 2.242 -0.553 -8.137 230 HG3 LYS 29 HG3 LYS 29 3.158 -2.016 -7.725 231 HD2 LYS 29 HD2 LYS 29 2.536 -3.030 -9.897 232 HD3 LYS 29 HD3 LYS 29 1.629 -1.554 -10.312 233 HE2 LYS 29 HE2 LYS 29 3.559 -0.781 -11.191 234 HE3 LYS 29 HE3 LYS 29 4.092 -0.552 -9.514 235 HZ1 LYS 29 HZ1 LYS 29 5.673 -1.807 -10.751 236 HZ2 LYS 29 HZ2 LYS 29 5.004 -2.779 -9.601 237 HZ3 LYS 29 HZ3 LYS 29 4.544 -2.934 -11.178 238 H ILE 30 H ILE 30 -1.803 -0.816 -6.450 239 HA ILE 30 HA ILE 30 -3.323 -3.329 -6.307 240 HB ILE 30 HB ILE 30 -3.428 -0.725 -4.730 241 HG12 ILE 30 HG12 ILE 30 -2.485 -3.522 -3.949 242 HG13 ILE 30 HG13 ILE 30 -1.407 -2.209 -4.469 243 HG21 ILE 30 HG21 ILE 30 -4.915 -3.359 -4.324 244 HG22 ILE 30 HG22 ILE 30 -4.886 -2.011 -3.164 245 HG23 ILE 30 HG23 ILE 30 -5.648 -1.795 -4.754 246 HD11 ILE 30 HD11 ILE 30 -1.328 -1.563 -2.312 247 HD12 ILE 30 HD12 ILE 30 -2.997 -1.005 -2.515 248 HD13 ILE 30 HD13 ILE 30 -2.686 -2.633 -1.867 249 H GLN 31 H GLN 31 -3.510 -0.176 -7.810 250 HA GLN 31 HA GLN 31 -6.336 0.018 -8.097 251 HB2 GLN 31 HB2 GLN 31 -4.743 1.861 -8.571 252 HB3 GLN 31 HB3 GLN 31 -4.089 0.936 -9.940 253 HG2 GLN 31 HG2 GLN 31 -6.369 0.929 -10.973 254 HG3 GLN 31 HG3 GLN 31 -6.942 1.959 -9.646 255 HE21 GLN 31 HE21 GLN 31 -4.158 3.534 -12.323 256 HE22 GLN 31 HE22 GLN 31 -4.089 1.845 -11.876 257 H ASP 32 H ASP 32 -3.812 -1.818 -9.781 258 HA ASP 32 HA ASP 32 -5.527 -2.627 -11.975 259 HB2 ASP 32 HB2 ASP 32 -3.072 -2.374 -12.170 260 HB3 ASP 32 HB3 ASP 32 -2.845 -3.674 -10.985 261 H LYS 33 H LYS 33 -4.766 -3.814 -8.738 262 HA LYS 33 HA LYS 33 -5.757 -6.498 -9.428 263 HB2 LYS 33 HB2 LYS 33 -3.639 -6.095 -8.120 264 HB3 LYS 33 HB3 LYS 33 -4.640 -5.447 -6.804 265 HG2 LYS 33 HG2 LYS 33 -4.177 -7.775 -6.326 266 HG3 LYS 33 HG3 LYS 33 -5.890 -7.647 -6.776 267 HD2 LYS 33 HD2 LYS 33 -5.383 -8.417 -9.050 268 HD3 LYS 33 HD3 LYS 33 -3.641 -8.423 -8.683 269 HE2 LYS 33 HE2 LYS 33 -4.025 -10.120 -6.921 270 HE3 LYS 33 HE3 LYS 33 -5.759 -10.124 -7.304 271 HZ1 LYS 33 HZ1 LYS 33 -4.591 -11.911 -8.373 272 HZ2 LYS 33 HZ2 LYS 33 -5.214 -10.878 -9.498 273 HZ3 LYS 33 HZ3 LYS 33 -3.601 -10.852 -9.160 274 H GLU 34 H GLU 34 -6.405 -3.973 -6.907 275 HA GLU 34 HA GLU 34 -8.858 -5.390 -6.163 276 HB2 GLU 34 HB2 GLU 34 -7.213 -4.287 -4.549 277 HB3 GLU 34 HB3 GLU 34 -7.818 -2.723 -5.136 278 HG2 GLU 34 HG2 GLU 34 -8.983 -3.447 -3.070 279 HG3 GLU 34 HG3 GLU 34 -10.103 -3.339 -4.440 280 H GLY 35 H GLY 35 -7.876 -2.884 -8.331 281 HA2 GLY 35 HA2 GLY 35 -9.160 -1.870 -9.953 282 HA3 GLY 35 HA3 GLY 35 -10.610 -2.599 -9.243 283 H ILE 36 H ILE 36 -9.239 -1.224 -6.605 284 HA ILE 36 HA ILE 36 -11.054 1.051 -6.722 285 HB ILE 36 HB ILE 36 -9.052 0.186 -4.600 286 HG12 ILE 36 HG12 ILE 36 -12.056 -0.297 -4.817 287 HG13 ILE 36 HG13 ILE 36 -10.805 -1.513 -5.151 288 HG21 ILE 36 HG21 ILE 36 -11.451 2.068 -4.479 289 HG22 ILE 36 HG22 ILE 36 -10.403 1.621 -3.112 290 HG23 ILE 36 HG23 ILE 36 -9.745 2.571 -4.460 291 HD11 ILE 36 HD11 ILE 36 -9.946 -1.234 -2.822 292 HD12 ILE 36 HD12 ILE 36 -11.282 -0.105 -2.492 293 HD13 ILE 36 HD13 ILE 36 -11.630 -1.806 -2.870 294 HA PRO 37 HA PRO 37 -7.913 3.662 -8.527 295 HB2 PRO 37 HB2 PRO 37 -9.853 5.805 -7.773 296 HB3 PRO 37 HB3 PRO 37 -9.123 5.452 -9.372 297 HG2 PRO 37 HG2 PRO 37 -11.736 4.843 -8.784 298 HG3 PRO 37 HG3 PRO 37 -10.730 3.818 -9.860 299 HD2 PRO 37 HD2 PRO 37 -11.482 3.371 -6.983 300 HD3 PRO 37 HD3 PRO 37 -11.267 2.184 -8.305 301 HA PRO 38 HA PRO 38 -5.759 5.485 -5.147 302 HB2 PRO 38 HB2 PRO 38 -5.588 8.064 -6.653 303 HB3 PRO 38 HB3 PRO 38 -4.266 7.053 -5.986 304 HG2 PRO 38 HG2 PRO 38 -4.833 7.125 -8.669 305 HG3 PRO 38 HG3 PRO 38 -4.273 5.630 -7.850 306 HD2 PRO 38 HD2 PRO 38 -7.052 6.383 -8.714 307 HD3 PRO 38 HD3 PRO 38 -6.262 4.776 -8.678 308 H ASP 39 H ASP 39 -5.743 7.388 -3.617 309 HA ASP 39 HA ASP 39 -6.696 8.930 -2.281 310 HB2 ASP 39 HB2 ASP 39 -7.241 10.097 -4.442 311 HB3 ASP 39 HB3 ASP 39 -8.841 9.326 -4.387 312 H GLN 40 H GLN 40 -9.063 6.697 -3.826 313 HA GLN 40 HA GLN 40 -10.893 6.774 -1.610 314 HB2 GLN 40 HB2 GLN 40 -10.381 4.743 -3.818 315 HB3 GLN 40 HB3 GLN 40 -11.689 4.591 -2.622 316 HG2 GLN 40 HG2 GLN 40 -12.590 6.785 -3.311 317 HG3 GLN 40 HG3 GLN 40 -11.289 6.950 -4.507 318 HE21 GLN 40 HE21 GLN 40 -13.052 5.231 -6.993 319 HE22 GLN 40 HE22 GLN 40 -11.806 6.376 -6.546 320 H GLN 41 H GLN 41 -7.771 5.395 -2.128 321 HA GLN 41 HA GLN 41 -8.080 3.785 0.353 322 HB2 GLN 41 HB2 GLN 41 -6.348 2.307 -0.512 323 HB3 GLN 41 HB3 GLN 41 -7.662 2.433 -1.703 324 HG2 GLN 41 HG2 GLN 41 -6.345 4.197 -2.902 325 HG3 GLN 41 HG3 GLN 41 -5.013 3.942 -1.755 326 HE21 GLN 41 HE21 GLN 41 -5.457 1.526 -4.983 327 HE22 GLN 41 HE22 GLN 41 -6.434 2.950 -4.710 328 H ARG 42 H ARG 42 -6.134 3.724 1.728 329 HA ARG 42 HA ARG 42 -4.073 5.743 1.210 330 HB2 ARG 42 HB2 ARG 42 -6.348 6.288 2.901 331 HB3 ARG 42 HB3 ARG 42 -4.881 6.202 3.904 332 HG2 ARG 42 HG2 ARG 42 -3.766 7.859 2.579 333 HG3 ARG 42 HG3 ARG 42 -5.001 7.785 1.305 334 HD2 ARG 42 HD2 ARG 42 -5.674 8.613 4.145 335 HD3 ARG 42 HD3 ARG 42 -5.109 9.777 2.930 336 HE ARG 42 HE ARG 42 -7.130 8.538 1.607 337 HH11 ARG 42 HH11 ARG 42 -6.890 10.047 4.796 338 HH12 ARG 42 HH12 ARG 42 -8.543 10.615 4.799 339 HH21 ARG 42 HH21 ARG 42 -9.294 9.318 1.596 340 HH22 ARG 42 HH22 ARG 42 -9.916 10.199 2.971 341 H LEU 43 H LEU 43 -2.152 5.258 2.241 342 HA LEU 43 HA LEU 43 -2.080 2.520 3.351 343 HB2 LEU 43 HB2 LEU 43 -0.138 4.377 1.968 344 HB3 LEU 43 HB3 LEU 43 0.463 2.998 2.912 345 HG LEU 43 HG LEU 43 -1.630 2.716 0.724 346 HD11 LEU 43 HD11 LEU 43 0.218 1.901 -0.688 347 HD12 LEU 43 HD12 LEU 43 0.503 3.586 -0.197 348 HD13 LEU 43 HD13 LEU 43 1.383 2.264 0.608 349 HD21 LEU 43 HD21 LEU 43 -0.912 0.330 0.841 350 HD22 LEU 43 HD22 LEU 43 0.194 0.740 2.172 351 HD23 LEU 43 HD23 LEU 43 -1.564 0.891 2.397 352 H ALA 44 H ALA 44 -0.680 1.985 5.096 353 HA ALA 44 HA ALA 44 0.485 4.041 6.770 354 HB1 ALA 44 HB1 ALA 44 -1.887 2.408 7.762 355 HB2 ALA 44 HB2 ALA 44 -0.847 3.438 8.775 356 HB3 ALA 44 HB3 ALA 44 -1.863 4.169 7.511 357 H PHE 45 H PHE 45 1.504 2.916 8.756 358 HA PHE 45 HA PHE 45 1.891 0.021 8.366 359 HB2 PHE 45 HB2 PHE 45 3.660 1.271 7.054 360 HB3 PHE 45 HB3 PHE 45 4.248 1.919 8.592 361 HD1 PHE 45 HD1 PHE 45 4.790 0.122 10.448 362 HD2 PHE 45 HD2 PHE 45 4.487 -0.752 6.252 363 HE1 PHE 45 HE1 PHE 45 6.046 -1.987 10.797 364 HE2 PHE 45 HE2 PHE 45 5.737 -2.866 6.603 365 HZ PHE 45 HZ PHE 45 6.505 -3.489 8.879 366 H ALA 46 H ALA 46 1.328 -0.784 10.307 367 HA ALA 46 HA ALA 46 1.098 -1.013 12.558 368 HB1 ALA 46 HB1 ALA 46 3.541 -1.327 12.381 369 HB2 ALA 46 HB2 ALA 46 3.777 0.422 12.618 370 HB3 ALA 46 HB3 ALA 46 3.082 -0.566 13.923 371 H GLY 47 H GLY 47 0.278 1.604 11.130 372 HA2 GLY 47 HA2 GLY 47 -1.276 3.101 12.154 373 HA3 GLY 47 HA3 GLY 47 -0.315 3.067 13.645 374 H LYS 48 H LYS 48 2.093 3.218 11.499 375 HA LYS 48 HA LYS 48 2.383 6.103 11.727 376 HB2 LYS 48 HB2 LYS 48 4.048 4.046 10.214 377 HB3 LYS 48 HB3 LYS 48 4.516 5.720 10.574 378 HG2 LYS 48 HG2 LYS 48 4.341 5.217 13.014 379 HG3 LYS 48 HG3 LYS 48 3.973 3.521 12.617 380 HD2 LYS 48 HD2 LYS 48 6.137 3.318 11.441 381 HD3 LYS 48 HD3 LYS 48 6.496 5.024 11.794 382 HE2 LYS 48 HE2 LYS 48 6.366 4.530 14.227 383 HE3 LYS 48 HE3 LYS 48 6.070 2.819 13.852 384 HZ1 LYS 48 HZ1 LYS 48 8.366 3.234 14.332 385 HZ2 LYS 48 HZ2 LYS 48 8.201 2.763 12.760 386 HZ3 LYS 48 HZ3 LYS 48 8.472 4.349 13.123 387 H GLN 49 H GLN 49 1.662 7.579 10.288 388 HA GLN 49 HA GLN 49 0.221 6.760 7.941 389 HB2 GLN 49 HB2 GLN 49 0.006 9.163 7.540 390 HB3 GLN 49 HB3 GLN 49 -0.265 8.815 9.262 391 HG2 GLN 49 HG2 GLN 49 2.132 9.411 9.708 392 HG3 GLN 49 HG3 GLN 49 2.304 9.866 8.001 393 HE21 GLN 49 HE21 GLN 49 1.492 13.160 8.953 394 HE22 GLN 49 HE22 GLN 49 2.694 12.063 8.310 395 H LEU 50 H LEU 50 0.833 6.790 5.771 396 HA LEU 50 HA LEU 50 3.746 7.209 5.299 397 HB2 LEU 50 HB2 LEU 50 1.708 5.648 3.662 398 HB3 LEU 50 HB3 LEU 50 3.452 5.764 3.342 399 HG LEU 50 HG LEU 50 2.133 4.533 5.798 400 HD11 LEU 50 HD11 LEU 50 2.456 3.446 3.304 401 HD12 LEU 50 HD12 LEU 50 3.986 2.991 4.067 402 HD13 LEU 50 HD13 LEU 50 2.452 2.498 4.818 403 HD21 LEU 50 HD21 LEU 50 5.025 5.119 5.103 404 HD22 LEU 50 HD22 LEU 50 4.152 5.475 6.604 405 HD23 LEU 50 HD23 LEU 50 4.584 3.794 6.217 406 H GLU 51 H GLU 51 4.359 8.344 3.325 407 HA GLU 51 HA GLU 51 2.212 9.931 2.059 408 HB2 GLU 51 HB2 GLU 51 2.970 11.204 4.047 409 HB3 GLU 51 HB3 GLU 51 4.643 11.121 3.460 410 HG2 GLU 51 HG2 GLU 51 4.051 12.417 1.475 411 HG3 GLU 51 HG3 GLU 51 2.335 12.391 1.932 412 H ASP 52 H ASP 52 2.944 10.974 0.071 413 HA ASP 52 HA ASP 52 4.997 9.353 -1.267 414 HB2 ASP 52 HB2 ASP 52 4.162 10.505 -3.299 415 HB3 ASP 52 HB3 ASP 52 2.869 9.694 -2.397 416 H GLY 53 H GLY 53 6.601 10.452 -2.689 417 HA2 GLY 53 HA2 GLY 53 7.864 12.430 -3.218 418 HA3 GLY 53 HA3 GLY 53 7.463 13.088 -1.618 419 H ARG 54 H ARG 54 8.045 9.814 -1.185 420 HA ARG 54 HA ARG 54 10.968 10.182 -0.847 421 HB2 ARG 54 HB2 ARG 54 9.845 10.772 1.278 422 HB3 ARG 54 HB3 ARG 54 9.026 9.197 1.284 423 HG2 ARG 54 HG2 ARG 54 11.190 8.042 1.424 424 HG3 ARG 54 HG3 ARG 54 12.047 9.601 1.330 425 HD2 ARG 54 HD2 ARG 54 10.986 10.338 3.415 426 HD3 ARG 54 HD3 ARG 54 10.055 8.829 3.501 427 HE ARG 54 HE ARG 54 12.702 8.013 3.362 428 HH11 ARG 54 HH11 ARG 54 10.824 10.153 5.468 429 HH12 ARG 54 HH12 ARG 54 11.745 9.766 6.903 430 HH21 ARG 54 HH21 ARG 54 13.932 7.534 5.236 431 HH22 ARG 54 HH22 ARG 54 13.531 8.274 6.770 432 H THR 55 H THR 55 12.156 8.194 -0.784 433 HA THR 55 HA THR 55 11.161 6.079 -2.406 434 HB THR 55 HB THR 55 13.457 6.186 -0.405 435 HG1 THR 55 HG1 THR 55 14.647 6.673 -2.298 436 HG21 THR 55 HG21 THR 55 13.757 4.479 -2.774 437 HG22 THR 55 HG22 THR 55 14.084 4.129 -1.068 438 HG23 THR 55 HG23 THR 55 12.432 3.949 -1.699 439 H LEU 56 H LEU 56 9.750 4.476 -1.871 440 HA LEU 56 HA LEU 56 8.607 4.369 0.708 441 HB2 LEU 56 HB2 LEU 56 7.375 2.434 -0.154 442 HB3 LEU 56 HB3 LEU 56 7.449 3.741 -1.351 443 HG LEU 56 HG LEU 56 9.630 2.379 -2.149 444 HD11 LEU 56 HD11 LEU 56 9.388 0.641 -0.365 445 HD12 LEU 56 HD12 LEU 56 7.764 0.262 -0.979 446 HD13 LEU 56 HD13 LEU 56 9.194 -0.051 -1.989 447 HD21 LEU 56 HD21 LEU 56 6.732 1.652 -2.756 448 HD22 LEU 56 HD22 LEU 56 7.680 2.940 -3.536 449 HD23 LEU 56 HD23 LEU 56 8.127 1.236 -3.778 450 H SER 57 H SER 57 11.328 2.567 -0.720 451 HA SER 57 HA SER 57 11.279 0.490 1.277 452 HB2 SER 57 HB2 SER 57 13.510 -0.067 0.355 453 HB3 SER 57 HB3 SER 57 12.301 0.161 -0.931 454 HG SER 57 HG SER 57 14.241 1.270 -1.384 455 H ASP 58 H ASP 58 12.530 3.766 1.152 456 HA ASP 58 HA ASP 58 14.266 3.285 3.485 457 HB2 ASP 58 HB2 ASP 58 15.024 4.742 1.631 458 HB3 ASP 58 HB3 ASP 58 13.634 5.811 1.915 459 H TYR 59 H TYR 59 11.023 4.167 2.747 460 HA TYR 59 HA TYR 59 10.553 5.922 4.966 461 HB2 TYR 59 HB2 TYR 59 9.278 5.472 2.691 462 HB3 TYR 59 HB3 TYR 59 8.386 4.304 3.662 463 HD1 TYR 59 HD1 TYR 59 7.946 7.319 2.312 464 HD2 TYR 59 HD2 TYR 59 8.109 5.617 6.255 465 HE1 TYR 59 HE1 TYR 59 6.525 9.165 3.163 466 HE2 TYR 59 HE2 TYR 59 6.675 7.445 7.113 467 HH TYR 59 HH TYR 59 5.526 9.366 6.602 468 H ASN 60 H ASN 60 9.018 2.689 4.429 469 HA ASN 60 HA ASN 60 9.733 1.903 7.179 470 HB2 ASN 60 HB2 ASN 60 6.934 2.559 6.241 471 HB3 ASN 60 HB3 ASN 60 7.196 1.281 7.438 472 HD21 ASN 60 HD21 ASN 60 6.985 5.034 8.723 473 HD22 ASN 60 HD22 ASN 60 6.379 4.440 7.194 474 H ILE 61 H ILE 61 8.563 1.221 3.926 475 HA ILE 61 HA ILE 61 7.723 -1.438 4.224 476 HB ILE 61 HB ILE 61 8.926 0.165 1.961 477 HG12 ILE 61 HG12 ILE 61 6.687 -0.534 0.960 478 HG13 ILE 61 HG13 ILE 61 6.269 -1.220 2.544 479 HG21 ILE 61 HG21 ILE 61 8.556 -1.807 0.483 480 HG22 ILE 61 HG22 ILE 61 9.853 -2.090 1.663 481 HG23 ILE 61 HG23 ILE 61 8.243 -2.805 1.923 482 HD11 ILE 61 HD11 ILE 61 5.448 1.160 2.103 483 HD12 ILE 61 HD12 ILE 61 6.404 0.951 3.592 484 HD13 ILE 61 HD13 ILE 61 7.148 1.668 2.141 485 H GLN 62 H GLN 62 8.700 -3.384 4.376 486 HA GLN 62 HA GLN 62 11.665 -3.485 4.186 487 HB2 GLN 62 HB2 GLN 62 9.852 -4.579 6.367 488 HB3 GLN 62 HB3 GLN 62 11.463 -5.252 6.047 489 HG2 GLN 62 HG2 GLN 62 12.469 -3.016 6.366 490 HG3 GLN 62 HG3 GLN 62 10.866 -2.348 6.730 491 HE21 GLN 62 HE21 GLN 62 10.578 -4.147 9.901 492 HE22 GLN 62 HE22 GLN 62 9.631 -3.701 8.497 493 H LYS 63 H LYS 63 12.353 -5.857 3.960 494 HA LYS 63 HA LYS 63 11.121 -6.929 1.662 495 HB2 LYS 63 HB2 LYS 63 12.607 -8.880 2.086 496 HB3 LYS 63 HB3 LYS 63 13.450 -7.322 2.194 497 HG2 LYS 63 HG2 LYS 63 13.156 -7.401 4.696 498 HG3 LYS 63 HG3 LYS 63 12.502 -9.048 4.517 499 HD2 LYS 63 HD2 LYS 63 14.599 -9.773 3.437 500 HD3 LYS 63 HD3 LYS 63 15.243 -8.119 3.562 501 HE2 LYS 63 HE2 LYS 63 15.007 -8.238 6.037 502 HE3 LYS 63 HE3 LYS 63 14.441 -9.915 5.889 503 HZ1 LYS 63 HZ1 LYS 63 16.788 -9.744 6.383 504 HZ2 LYS 63 HZ2 LYS 63 16.534 -10.492 4.934 505 HZ3 LYS 63 HZ3 LYS 63 17.054 -8.929 4.978 506 H GLU 64 H GLU 64 9.326 -8.044 1.387 507 HA GLU 64 HA GLU 64 7.391 -9.156 1.866 508 HB2 GLU 64 HB2 GLU 64 9.448 -10.881 3.302 509 HB3 GLU 64 HB3 GLU 64 7.816 -11.397 2.822 510 HG2 GLU 64 HG2 GLU 64 9.184 -12.137 1.049 511 HG3 GLU 64 HG3 GLU 64 8.457 -10.640 0.436 512 H SER 65 H SER 65 7.593 -6.954 3.571 513 HA SER 65 HA SER 65 6.822 -8.010 6.225 514 HB2 SER 65 HB2 SER 65 8.510 -6.049 5.707 515 HB3 SER 65 HB3 SER 65 7.023 -5.083 5.556 516 HG SER 65 HG SER 65 8.080 -6.458 7.770 517 H THR 66 H THR 66 4.975 -6.717 7.297 518 HA THR 66 HA THR 66 2.676 -6.871 5.457 519 HB THR 66 HB THR 66 2.783 -6.601 8.488 520 HG1 THR 66 HG1 THR 66 2.401 -8.859 8.399 521 HG21 THR 66 HG21 THR 66 0.470 -7.479 8.342 522 HG22 THR 66 HG22 THR 66 0.632 -5.945 7.458 523 HG23 THR 66 HG23 THR 66 0.584 -7.484 6.566 524 H LEU 67 H LEU 67 1.441 -5.141 4.888 525 HA LEU 67 HA LEU 67 2.124 -2.505 6.118 526 HB2 LEU 67 HB2 LEU 67 1.393 -3.351 3.303 527 HB3 LEU 67 HB3 LEU 67 1.008 -1.718 3.877 528 HG LEU 67 HG LEU 67 3.453 -1.512 4.592 529 HD11 LEU 67 HD11 LEU 67 3.644 -3.961 2.781 530 HD12 LEU 67 HD12 LEU 67 5.028 -2.980 3.315 531 HD13 LEU 67 HD13 LEU 67 4.076 -3.891 4.505 532 HD21 LEU 67 HD21 LEU 67 2.483 -0.412 2.604 533 HD22 LEU 67 HD22 LEU 67 4.150 -0.943 2.287 534 HD23 LEU 67 HD23 LEU 67 2.783 -1.879 1.642 535 H HIS 68 H HIS 68 0.147 -0.933 5.801 536 HA HIS 68 HA HIS 68 -2.374 -2.414 6.372 537 HB2 HIS 68 HB2 HIS 68 -1.463 -1.591 8.473 538 HB3 HIS 68 HB3 HIS 68 -1.209 0.015 7.776 539 HD1 HIS 68 HD1 HIS 68 -4.504 -1.941 7.335 540 HD2 HIS 68 HD2 HIS 68 -2.842 1.350 9.361 541 HE1 HIS 68 HE1 HIS 68 -6.457 -0.648 8.354 542 H LEU 69 H LEU 69 -4.076 -1.771 5.166 543 HA LEU 69 HA LEU 69 -3.843 0.831 3.737 544 HB2 LEU 69 HB2 LEU 69 -3.375 -1.155 2.257 545 HB3 LEU 69 HB3 LEU 69 -4.993 -1.769 2.649 546 HG LEU 69 HG LEU 69 -5.893 0.485 1.789 547 HD11 LEU 69 HD11 LEU 69 -3.100 0.575 0.570 548 HD12 LEU 69 HD12 LEU 69 -4.428 1.708 0.242 549 HD13 LEU 69 HD13 LEU 69 -3.679 1.660 1.853 550 HD21 LEU 69 HD21 LEU 69 -5.758 -0.250 -0.563 551 HD22 LEU 69 HD22 LEU 69 -4.426 -1.355 -0.145 552 HD23 LEU 69 HD23 LEU 69 -6.053 -1.627 0.521 553 H ALA 70 H ALA 70 -5.796 1.973 3.486 554 HA ALA 70 HA ALA 70 -8.155 0.824 4.909 555 HB1 ALA 70 HB1 ALA 70 -7.404 2.488 6.394 556 HB2 ALA 70 HB2 ALA 70 -6.862 3.560 5.070 557 HB3 ALA 70 HB3 ALA 70 -8.597 3.343 5.402 558 H LEU 71 H LEU 71 -10.144 1.166 3.905 559 HA LEU 71 HA LEU 71 -9.967 2.366 1.178 560 HB2 LEU 71 HB2 LEU 71 -11.580 0.003 2.229 561 HB3 LEU 71 HB3 LEU 71 -11.869 0.776 0.665 562 HG LEU 71 HG LEU 71 -10.539 -1.128 0.216 563 HD11 LEU 71 HD11 LEU 71 -9.853 0.978 -0.941 564 HD12 LEU 71 HD12 LEU 71 -8.612 1.226 0.312 565 HD13 LEU 71 HD13 LEU 71 -8.521 -0.187 -0.759 566 HD21 LEU 71 HD21 LEU 71 -9.731 -1.466 2.563 567 HD22 LEU 71 HD22 LEU 71 -8.470 -1.689 1.327 568 HD23 LEU 71 HD23 LEU 71 -8.515 -0.196 2.284 569 H ARG 72 H ARG 72 -12.323 2.877 0.390 570 HA ARG 72 HA ARG 72 -13.339 4.965 2.037 571 HB2 ARG 72 HB2 ARG 72 -15.141 5.052 0.340 572 HB3 ARG 72 HB3 ARG 72 -13.535 4.944 -0.416 573 HG2 ARG 72 HG2 ARG 72 -13.833 2.507 -0.721 574 HG3 ARG 72 HG3 ARG 72 -15.432 2.599 0.051 575 HD2 ARG 72 HD2 ARG 72 -14.608 4.078 -2.480 576 HD3 ARG 72 HD3 ARG 72 -15.575 2.591 -2.434 577 HE ARG 72 HE ARG 72 -17.036 4.213 -0.837 578 HH11 ARG 72 HH11 ARG 72 -15.553 4.731 -4.008 579 HH12 ARG 72 HH12 ARG 72 -16.794 5.834 -4.556 580 HH21 ARG 72 HH21 ARG 72 -18.651 5.689 -1.550 581 HH22 ARG 72 HH22 ARG 72 -18.565 6.382 -3.154 582 H LEU 73 H LEU 73 -15.737 5.066 2.661 583 HA LEU 73 HA LEU 73 -16.284 2.908 4.501 584 HB2 LEU 73 HB2 LEU 73 -17.965 5.275 3.574 585 HB3 LEU 73 HB3 LEU 73 -18.347 4.228 4.956 586 HG LEU 73 HG LEU 73 -15.801 5.884 4.679 587 HD11 LEU 73 HD11 LEU 73 -16.821 7.314 6.418 588 HD12 LEU 73 HD12 LEU 73 -17.823 7.284 4.949 589 HD13 LEU 73 HD13 LEU 73 -18.300 6.323 6.368 590 HD21 LEU 73 HD21 LEU 73 -15.507 5.316 7.073 591 HD22 LEU 73 HD22 LEU 73 -16.973 4.308 7.013 592 HD23 LEU 73 HD23 LEU 73 -15.534 3.852 6.069 593 H ARG 74 H ARG 74 -18.518 1.841 4.517 594 HA ARG 74 HA ARG 74 -18.957 0.648 1.877 595 HB2 ARG 74 HB2 ARG 74 -18.890 -0.680 4.012 596 HB3 ARG 74 HB3 ARG 74 -20.390 0.135 4.516 597 HG2 ARG 74 HG2 ARG 74 -21.570 -0.753 2.561 598 HG3 ARG 74 HG3 ARG 74 -20.058 -1.444 1.928 599 HD2 ARG 74 HD2 ARG 74 -21.360 -3.200 3.015 600 HD3 ARG 74 HD3 ARG 74 -19.885 -2.879 3.950 601 HE ARG 74 HE ARG 74 -22.404 -1.518 4.733 602 HH11 ARG 74 HH11 ARG 74 -19.964 -4.000 5.360 603 HH12 ARG 74 HH12 ARG 74 -20.448 -4.247 7.021 604 HH21 ARG 74 HH21 ARG 74 -23.047 -1.845 6.906 605 HH22 ARG 74 HH22 ARG 74 -22.243 -3.044 7.895 606 H GLY 75 H GLY 75 -20.527 2.876 4.156 607 HA2 GLY 75 HA2 GLY 75 -21.916 4.642 3.324 608 HA3 GLY 75 HA3 GLY 75 -22.467 3.575 2.015 609 H GLY 76 H GLY 76 -22.382 1.538 4.579 610 HA2 GLY 76 HA2 GLY 76 -24.331 2.153 6.405 611 HA3 GLY 76 HA3 GLY 76 -25.253 1.647 4.971 Start of MODEL 20 1 H1 MET 1 H MET 1 11.887 -7.110 -1.612 2 HA MET 1 HA MET 1 12.054 -8.355 -3.708 3 HB2 MET 1 HB2 MET 1 12.678 -10.480 -2.545 4 HB3 MET 1 HB3 MET 1 10.984 -10.664 -2.043 5 HG2 MET 1 HG2 MET 1 10.293 -10.628 -4.417 6 HG3 MET 1 HG3 MET 1 11.982 -10.468 -4.914 7 HE1 MET 1 HE1 MET 1 13.544 -13.859 -4.543 8 HE2 MET 1 HE2 MET 1 13.468 -12.339 -5.464 9 HE3 MET 1 HE3 MET 1 13.812 -12.304 -3.719 10 H GLN 2 H GLN 2 9.461 -9.279 -1.364 11 HA GLN 2 HA GLN 2 7.521 -7.783 -3.069 12 HB2 GLN 2 HB2 GLN 2 7.320 -10.555 -1.838 13 HB3 GLN 2 HB3 GLN 2 5.894 -9.629 -2.356 14 HG2 GLN 2 HG2 GLN 2 6.728 -9.509 -4.640 15 HG3 GLN 2 HG3 GLN 2 8.251 -10.286 -4.164 16 HE21 GLN 2 HE21 GLN 2 5.313 -12.615 -5.451 17 HE22 GLN 2 HE22 GLN 2 5.556 -10.927 -5.844 18 H ILE 3 H ILE 3 5.374 -7.583 -1.678 19 HA ILE 3 HA ILE 3 5.999 -7.234 1.188 20 HB ILE 3 HB ILE 3 4.990 -4.981 1.186 21 HG12 ILE 3 HG12 ILE 3 5.076 -5.250 -1.846 22 HG13 ILE 3 HG13 ILE 3 3.596 -5.328 -0.869 23 HG21 ILE 3 HG21 ILE 3 6.904 -3.813 0.216 24 HG22 ILE 3 HG22 ILE 3 7.462 -5.325 0.959 25 HG23 ILE 3 HG23 ILE 3 7.282 -5.216 -0.808 26 HD11 ILE 3 HD11 ILE 3 4.183 -3.061 -1.957 27 HD12 ILE 3 HD12 ILE 3 3.779 -3.040 -0.218 28 HD13 ILE 3 HD13 ILE 3 5.472 -2.941 -0.754 29 H PHE 4 H PHE 4 3.793 -6.539 2.317 30 HA PHE 4 HA PHE 4 1.574 -8.021 0.998 31 HB2 PHE 4 HB2 PHE 4 2.618 -8.323 3.831 32 HB3 PHE 4 HB3 PHE 4 1.067 -8.960 3.273 33 HD1 PHE 4 HD1 PHE 4 0.923 -10.933 1.920 34 HD2 PHE 4 HD2 PHE 4 4.749 -9.249 2.916 35 HE1 PHE 4 HE1 PHE 4 2.040 -12.999 1.120 36 HE2 PHE 4 HE2 PHE 4 5.865 -11.311 2.103 37 HZ PHE 4 HZ PHE 4 4.511 -13.185 1.211 38 H VAL 5 H VAL 5 0.014 -6.576 0.673 39 HA VAL 5 HA VAL 5 -0.406 -4.426 2.686 40 HB VAL 5 HB VAL 5 -1.521 -4.800 -0.131 41 HG11 VAL 5 HG11 VAL 5 -2.268 -2.459 0.149 42 HG12 VAL 5 HG12 VAL 5 -3.004 -3.513 1.379 43 HG13 VAL 5 HG13 VAL 5 -1.640 -2.455 1.814 44 HG21 VAL 5 HG21 VAL 5 -0.003 -2.925 -0.704 45 HG22 VAL 5 HG22 VAL 5 0.643 -2.944 0.952 46 HG23 VAL 5 HG23 VAL 5 0.909 -4.337 -0.125 47 H LYS 6 H LYS 6 -1.878 -4.907 4.233 48 HA LYS 6 HA LYS 6 -3.892 -6.995 3.599 49 HB2 LYS 6 HB2 LYS 6 -2.337 -7.348 5.518 50 HB3 LYS 6 HB3 LYS 6 -2.979 -5.876 6.279 51 HG2 LYS 6 HG2 LYS 6 -5.228 -6.865 6.355 52 HG3 LYS 6 HG3 LYS 6 -4.642 -8.309 5.494 53 HD2 LYS 6 HD2 LYS 6 -3.072 -8.779 7.352 54 HD3 LYS 6 HD3 LYS 6 -3.670 -7.343 8.218 55 HE2 LYS 6 HE2 LYS 6 -5.948 -8.320 8.264 56 HE3 LYS 6 HE3 LYS 6 -5.349 -9.734 7.373 57 HZ1 LYS 6 HZ1 LYS 6 -5.064 -10.540 9.390 58 HZ2 LYS 6 HZ2 LYS 6 -3.682 -9.656 9.408 59 HZ3 LYS 6 HZ3 LYS 6 -5.036 -9.060 10.137 60 H THR 7 H THR 7 -5.863 -6.307 3.072 61 HA THR 7 HA THR 7 -6.676 -3.584 3.234 62 HB THR 7 HB THR 7 -8.837 -4.446 2.478 63 HG1 THR 7 HG1 THR 7 -9.211 -6.659 2.517 64 HG21 THR 7 HG21 THR 7 -6.531 -6.065 1.299 65 HG22 THR 7 HG22 THR 7 -8.106 -5.785 0.524 66 HG23 THR 7 HG23 THR 7 -7.004 -4.422 0.807 67 H ALA 8 H ALA 8 -8.823 -2.961 4.339 68 HA ALA 8 HA ALA 8 -8.597 -3.436 7.184 69 HB1 ALA 8 HB1 ALA 8 -10.598 -1.984 7.290 70 HB2 ALA 8 HB2 ALA 8 -9.345 -1.276 6.244 71 HB3 ALA 8 HB3 ALA 8 -10.761 -2.077 5.521 72 H THR 9 H THR 9 -9.898 -5.235 4.617 73 HA THR 9 HA THR 9 -12.046 -6.403 6.284 74 HB THR 9 HB THR 9 -12.682 -7.557 4.192 75 HG1 THR 9 HG1 THR 9 -11.612 -6.862 2.277 76 HG21 THR 9 HG21 THR 9 -13.071 -4.926 4.880 77 HG22 THR 9 HG22 THR 9 -12.394 -4.759 3.253 78 HG23 THR 9 HG23 THR 9 -13.862 -5.733 3.497 79 H GLY 10 H GLY 10 -8.747 -6.810 5.733 80 HA2 GLY 10 HA2 GLY 10 -7.524 -8.443 6.906 81 HA3 GLY 10 HA3 GLY 10 -8.931 -9.522 6.880 82 H LYS 11 H LYS 11 -8.730 -8.301 3.775 83 HA LYS 11 HA LYS 11 -7.757 -10.810 2.734 84 HB2 LYS 11 HB2 LYS 11 -8.318 -8.122 1.415 85 HB3 LYS 11 HB3 LYS 11 -7.882 -9.603 0.539 86 HG2 LYS 11 HG2 LYS 11 -9.855 -10.750 1.577 87 HG3 LYS 11 HG3 LYS 11 -10.339 -9.194 2.293 88 HD2 LYS 11 HD2 LYS 11 -10.483 -8.189 0.046 89 HD3 LYS 11 HD3 LYS 11 -9.928 -9.711 -0.686 90 HE2 LYS 11 HE2 LYS 11 -11.920 -10.868 0.242 91 HE3 LYS 11 HE3 LYS 11 -12.486 -9.329 0.923 92 HZ1 LYS 11 HZ1 LYS 11 -12.057 -9.887 -1.930 93 HZ2 LYS 11 HZ2 LYS 11 -13.518 -9.808 -1.172 94 HZ3 LYS 11 HZ3 LYS 11 -12.583 -8.456 -1.300 95 H THR 12 H THR 12 -5.683 -11.430 2.621 96 HA THR 12 HA THR 12 -3.503 -9.508 2.867 97 HB THR 12 HB THR 12 -3.417 -12.452 2.093 98 HG1 THR 12 HG1 THR 12 -3.156 -12.762 4.360 99 HG21 THR 12 HG21 THR 12 -1.421 -10.654 3.530 100 HG22 THR 12 HG22 THR 12 -1.175 -12.356 3.085 101 HG23 THR 12 HG23 THR 12 -1.325 -11.121 1.815 102 H ILE 13 H ILE 13 -2.257 -8.685 1.194 103 HA ILE 13 HA ILE 13 -2.833 -9.728 -1.528 104 HB ILE 13 HB ILE 13 -2.541 -6.788 -0.813 105 HG12 ILE 13 HG12 ILE 13 -5.035 -8.380 -1.553 106 HG13 ILE 13 HG13 ILE 13 -4.660 -7.748 0.065 107 HG21 ILE 13 HG21 ILE 13 -3.212 -6.443 -3.152 108 HG22 ILE 13 HG22 ILE 13 -1.773 -7.481 -3.084 109 HG23 ILE 13 HG23 ILE 13 -3.373 -8.200 -3.385 110 HD11 ILE 13 HD11 ILE 13 -5.073 -6.087 -2.457 111 HD12 ILE 13 HD12 ILE 13 -6.194 -6.225 -1.086 112 HD13 ILE 13 HD13 ILE 13 -4.614 -5.438 -0.863 113 H THR 14 H THR 14 -0.954 -10.707 -2.068 114 HA THR 14 HA THR 14 1.632 -9.732 -1.201 115 HB THR 14 HB THR 14 0.904 -11.623 -3.476 116 HG1 THR 14 HG1 THR 14 1.514 -12.153 -0.755 117 HG21 THR 14 HG21 THR 14 3.445 -11.266 -1.827 118 HG22 THR 14 HG22 THR 14 3.188 -12.496 -3.088 119 HG23 THR 14 HG23 THR 14 3.229 -10.771 -3.523 120 H LEU 15 H LEU 15 2.568 -7.910 -1.992 121 HA LEU 15 HA LEU 15 1.800 -7.104 -4.754 122 HB2 LEU 15 HB2 LEU 15 0.898 -5.797 -2.662 123 HB3 LEU 15 HB3 LEU 15 2.545 -5.145 -2.585 124 HG LEU 15 HG LEU 15 2.286 -4.442 -5.009 125 HD11 LEU 15 HD11 LEU 15 -0.062 -4.305 -5.858 126 HD12 LEU 15 HD12 LEU 15 0.471 -5.986 -5.648 127 HD13 LEU 15 HD13 LEU 15 -0.608 -5.238 -4.446 128 HD21 LEU 15 HD21 LEU 15 0.254 -3.362 -3.008 129 HD22 LEU 15 HD22 LEU 15 1.964 -2.881 -3.115 130 HD23 LEU 15 HD23 LEU 15 0.850 -2.504 -4.448 131 H GLU 16 H GLU 16 3.404 -5.840 -5.915 132 HA GLU 16 HA GLU 16 6.159 -6.014 -4.846 133 HB2 GLU 16 HB2 GLU 16 5.800 -7.998 -6.267 134 HB3 GLU 16 HB3 GLU 16 5.276 -6.952 -7.606 135 HG2 GLU 16 HG2 GLU 16 7.479 -5.866 -7.650 136 HG3 GLU 16 HG3 GLU 16 7.998 -6.816 -6.243 137 H VAL 17 H VAL 17 6.975 -3.997 -4.892 138 HA VAL 17 HA VAL 17 6.021 -2.185 -7.063 139 HB VAL 17 HB VAL 17 6.092 -0.352 -5.386 140 HG11 VAL 17 HG11 VAL 17 4.336 -2.725 -4.627 141 HG12 VAL 17 HG12 VAL 17 4.067 -1.041 -4.124 142 HG13 VAL 17 HG13 VAL 17 3.961 -1.479 -5.842 143 HG21 VAL 17 HG21 VAL 17 7.736 -1.383 -3.843 144 HG22 VAL 17 HG22 VAL 17 6.247 -0.918 -2.988 145 HG23 VAL 17 HG23 VAL 17 6.538 -2.624 -3.400 146 H GLU 18 H GLU 18 7.499 -0.374 -7.506 147 HA GLU 18 HA GLU 18 10.307 -1.241 -7.330 148 HB2 GLU 18 HB2 GLU 18 8.833 0.939 -8.851 149 HB3 GLU 18 HB3 GLU 18 10.600 0.761 -8.872 150 HG2 GLU 18 HG2 GLU 18 9.559 -0.354 -10.818 151 HG3 GLU 18 HG3 GLU 18 10.397 -1.511 -9.770 152 HA PRO 19 HA PRO 19 11.071 1.083 -3.754 153 HB2 PRO 19 HB2 PRO 19 13.746 1.695 -4.971 154 HB3 PRO 19 HB3 PRO 19 13.368 0.989 -3.368 155 HG2 PRO 19 HG2 PRO 19 14.255 -0.547 -5.451 156 HG3 PRO 19 HG3 PRO 19 13.040 -1.154 -4.279 157 HD2 PRO 19 HD2 PRO 19 12.632 -0.182 -7.087 158 HD3 PRO 19 HD3 PRO 19 11.749 -1.443 -6.172 159 H SER 20 H SER 20 12.344 2.683 -6.748 160 HA SER 20 HA SER 20 12.100 5.277 -5.414 161 HB2 SER 20 HB2 SER 20 13.088 4.525 -8.190 162 HB3 SER 20 HB3 SER 20 13.270 6.110 -7.403 163 HG SER 20 HG SER 20 15.127 4.843 -7.130 164 H ASP 21 H ASP 21 9.797 3.414 -6.839 165 HA ASP 21 HA ASP 21 8.707 5.475 -8.620 166 HB2 ASP 21 HB2 ASP 21 7.916 2.687 -7.785 167 HB3 ASP 21 HB3 ASP 21 6.733 3.762 -8.558 168 H THR 22 H THR 22 8.917 5.109 -5.335 169 HA THR 22 HA THR 22 8.046 6.380 -3.671 170 HB THR 22 HB THR 22 6.038 7.522 -5.630 171 HG1 THR 22 HG1 THR 22 8.097 7.669 -6.543 172 HG21 THR 22 HG21 THR 22 7.507 9.016 -3.462 173 HG22 THR 22 HG22 THR 22 5.932 9.355 -4.192 174 HG23 THR 22 HG23 THR 22 6.090 8.014 -3.039 175 H ILE 23 H ILE 23 6.119 6.525 -2.266 176 HA ILE 23 HA ILE 23 4.756 4.107 -1.944 177 HB ILE 23 HB ILE 23 4.074 6.944 -1.083 178 HG12 ILE 23 HG12 ILE 23 6.224 5.915 -0.261 179 HG13 ILE 23 HG13 ILE 23 5.068 6.315 1.023 180 HG21 ILE 23 HG21 ILE 23 2.666 5.773 0.675 181 HG22 ILE 23 HG22 ILE 23 2.014 5.697 -0.980 182 HG23 ILE 23 HG23 ILE 23 2.835 4.283 -0.281 183 HD11 ILE 23 HD11 ILE 23 6.109 4.080 1.355 184 HD12 ILE 23 HD12 ILE 23 4.346 3.976 1.161 185 HD13 ILE 23 HD13 ILE 23 5.417 3.542 -0.191 186 H GLU 24 H GLU 24 4.028 6.826 -4.068 187 HA GLU 24 HA GLU 24 1.278 6.436 -4.477 188 HB2 GLU 24 HB2 GLU 24 2.489 8.351 -5.360 189 HB3 GLU 24 HB3 GLU 24 3.492 7.294 -6.380 190 HG2 GLU 24 HG2 GLU 24 1.504 6.581 -7.639 191 HG3 GLU 24 HG3 GLU 24 0.469 7.575 -6.593 192 H ASN 25 H ASN 25 4.088 4.606 -5.641 193 HA ASN 25 HA ASN 25 2.709 3.181 -7.695 194 HB2 ASN 25 HB2 ASN 25 5.199 3.497 -7.403 195 HB3 ASN 25 HB3 ASN 25 5.140 2.309 -6.089 196 HD21 ASN 25 HD21 ASN 25 6.106 0.271 -8.962 197 HD22 ASN 25 HD22 ASN 25 6.779 1.377 -7.786 198 H VAL 26 H VAL 26 3.047 2.720 -4.180 199 HA VAL 26 HA VAL 26 2.305 -0.024 -4.115 200 HB VAL 26 HB VAL 26 1.813 2.169 -2.057 201 HG11 VAL 26 HG11 VAL 26 0.516 0.111 -1.631 202 HG12 VAL 26 HG12 VAL 26 1.996 -0.863 -1.798 203 HG13 VAL 26 HG13 VAL 26 1.832 0.284 -0.447 204 HG21 VAL 26 HG21 VAL 26 4.154 0.248 -2.416 205 HG22 VAL 26 HG22 VAL 26 4.191 1.999 -2.735 206 HG23 VAL 26 HG23 VAL 26 3.948 1.402 -1.078 207 H LYS 27 H LYS 27 0.451 2.989 -4.398 208 HA LYS 27 HA LYS 27 -2.110 1.634 -4.015 209 HB2 LYS 27 HB2 LYS 27 -1.428 4.403 -5.085 210 HB3 LYS 27 HB3 LYS 27 -3.046 3.832 -4.622 211 HG2 LYS 27 HG2 LYS 27 -2.195 3.430 -2.300 212 HG3 LYS 27 HG3 LYS 27 -0.631 4.130 -2.783 213 HD2 LYS 27 HD2 LYS 27 -3.328 5.552 -2.917 214 HD3 LYS 27 HD3 LYS 27 -2.086 5.809 -1.670 215 HE2 LYS 27 HE2 LYS 27 -0.481 6.514 -3.425 216 HE3 LYS 27 HE3 LYS 27 -1.734 6.283 -4.661 217 HZ1 LYS 27 HZ1 LYS 27 -1.881 8.164 -2.411 218 HZ2 LYS 27 HZ2 LYS 27 -1.548 8.561 -3.975 219 HZ3 LYS 27 HZ3 LYS 27 -3.033 7.964 -3.574 220 H ALA 28 H ALA 28 0.038 2.548 -6.692 221 HA ALA 28 HA ALA 28 -1.960 2.387 -8.730 222 HB1 ALA 28 HB1 ALA 28 -0.112 2.577 -10.253 223 HB2 ALA 28 HB2 ALA 28 0.264 3.590 -8.845 224 HB3 ALA 28 HB3 ALA 28 1.042 1.998 -9.021 225 H LYS 29 H LYS 29 0.338 0.007 -7.332 226 HA LYS 29 HA LYS 29 -0.237 -1.993 -9.317 227 HB2 LYS 29 HB2 LYS 29 0.865 -2.246 -6.493 228 HB3 LYS 29 HB3 LYS 29 0.925 -3.511 -7.738 229 HG2 LYS 29 HG2 LYS 29 2.171 -0.749 -8.056 230 HG3 LYS 29 HG3 LYS 29 3.053 -2.178 -7.483 231 HD2 LYS 29 HD2 LYS 29 2.535 -3.356 -9.602 232 HD3 LYS 29 HD3 LYS 29 1.669 -1.908 -10.175 233 HE2 LYS 29 HE2 LYS 29 3.656 -1.230 -11.007 234 HE3 LYS 29 HE3 LYS 29 4.086 -0.858 -9.326 235 HZ1 LYS 29 HZ1 LYS 29 5.733 -2.217 -10.349 236 HZ2 LYS 29 HZ2 LYS 29 4.986 -3.086 -9.164 237 HZ3 LYS 29 HZ3 LYS 29 4.626 -3.375 -10.747 238 H ILE 30 H ILE 30 -1.918 -0.840 -6.479 239 HA ILE 30 HA ILE 30 -3.489 -3.331 -6.261 240 HB ILE 30 HB ILE 30 -3.554 -0.693 -4.731 241 HG12 ILE 30 HG12 ILE 30 -2.650 -3.477 -3.870 242 HG13 ILE 30 HG13 ILE 30 -1.542 -2.216 -4.453 243 HG21 ILE 30 HG21 ILE 30 -4.824 -2.697 -3.234 244 HG22 ILE 30 HG22 ILE 30 -5.640 -1.381 -4.125 245 HG23 ILE 30 HG23 ILE 30 -5.412 -2.977 -4.876 246 HD11 ILE 30 HD11 ILE 30 -2.336 -0.695 -2.652 247 HD12 ILE 30 HD12 ILE 30 -3.384 -1.993 -2.034 248 HD13 ILE 30 HD13 ILE 30 -1.618 -2.187 -2.003 249 H GLN 31 H GLN 31 -3.670 -0.034 -7.574 250 HA GLN 31 HA GLN 31 -6.495 0.020 -7.968 251 HB2 GLN 31 HB2 GLN 31 -5.031 2.007 -8.122 252 HB3 GLN 31 HB3 GLN 31 -4.253 1.324 -9.569 253 HG2 GLN 31 HG2 GLN 31 -6.416 1.337 -10.754 254 HG3 GLN 31 HG3 GLN 31 -7.222 1.961 -9.300 255 HE21 GLN 31 HE21 GLN 31 -6.809 5.188 -10.666 256 HE22 GLN 31 HE22 GLN 31 -7.917 3.919 -10.193 257 H ASP 32 H ASP 32 -3.795 -1.472 -9.698 258 HA ASP 32 HA ASP 32 -5.365 -2.119 -12.052 259 HB2 ASP 32 HB2 ASP 32 -2.888 -1.746 -12.025 260 HB3 ASP 32 HB3 ASP 32 -2.708 -3.236 -11.077 261 H LYS 33 H LYS 33 -4.739 -3.561 -8.901 262 HA LYS 33 HA LYS 33 -5.544 -6.205 -9.903 263 HB2 LYS 33 HB2 LYS 33 -3.528 -5.651 -8.344 264 HB3 LYS 33 HB3 LYS 33 -4.752 -5.554 -7.061 265 HG2 LYS 33 HG2 LYS 33 -3.883 -7.812 -7.098 266 HG3 LYS 33 HG3 LYS 33 -5.530 -7.875 -7.768 267 HD2 LYS 33 HD2 LYS 33 -4.654 -7.926 -10.043 268 HD3 LYS 33 HD3 LYS 33 -3.003 -7.623 -9.459 269 HE2 LYS 33 HE2 LYS 33 -3.006 -9.774 -8.272 270 HE3 LYS 33 HE3 LYS 33 -4.675 -10.079 -8.796 271 HZ1 LYS 33 HZ1 LYS 33 -3.065 -11.185 -10.180 272 HZ2 LYS 33 HZ2 LYS 33 -3.919 -10.074 -11.049 273 HZ3 LYS 33 HZ3 LYS 33 -2.370 -9.747 -10.588 274 H GLU 34 H GLU 34 -6.528 -3.872 -7.316 275 HA GLU 34 HA GLU 34 -9.006 -5.460 -6.987 276 HB2 GLU 34 HB2 GLU 34 -7.464 -4.928 -5.035 277 HB3 GLU 34 HB3 GLU 34 -7.946 -3.228 -5.220 278 HG2 GLU 34 HG2 GLU 34 -9.313 -4.393 -3.510 279 HG3 GLU 34 HG3 GLU 34 -10.308 -3.852 -4.875 280 H GLY 35 H GLY 35 -7.813 -2.554 -8.419 281 HA2 GLY 35 HA2 GLY 35 -9.010 -1.131 -9.802 282 HA3 GLY 35 HA3 GLY 35 -10.512 -1.898 -9.270 283 H ILE 36 H ILE 36 -8.990 -1.155 -6.415 284 HA ILE 36 HA ILE 36 -10.807 1.006 -5.893 285 HB ILE 36 HB ILE 36 -8.409 0.020 -4.303 286 HG12 ILE 36 HG12 ILE 36 -11.364 -0.724 -4.135 287 HG13 ILE 36 HG13 ILE 36 -10.097 -1.740 -4.852 288 HG21 ILE 36 HG21 ILE 36 -10.883 1.606 -3.477 289 HG22 ILE 36 HG22 ILE 36 -9.578 1.063 -2.396 290 HG23 ILE 36 HG23 ILE 36 -9.243 2.273 -3.649 291 HD11 ILE 36 HD11 ILE 36 -8.896 -1.754 -2.668 292 HD12 ILE 36 HD12 ILE 36 -10.229 -0.814 -1.953 293 HD13 ILE 36 HD13 ILE 36 -10.526 -2.459 -2.554 294 HA PRO 37 HA PRO 37 -8.157 4.129 -7.671 295 HB2 PRO 37 HB2 PRO 37 -10.153 6.008 -6.524 296 HB3 PRO 37 HB3 PRO 37 -9.647 5.801 -8.231 297 HG2 PRO 37 HG2 PRO 37 -12.095 4.952 -7.276 298 HG3 PRO 37 HG3 PRO 37 -11.221 4.123 -8.605 299 HD2 PRO 37 HD2 PRO 37 -11.442 3.342 -5.712 300 HD3 PRO 37 HD3 PRO 37 -11.373 2.310 -7.172 301 HA PRO 38 HA PRO 38 -5.934 5.832 -4.236 302 HB2 PRO 38 HB2 PRO 38 -5.848 8.468 -5.611 303 HB3 PRO 38 HB3 PRO 38 -4.490 7.409 -5.118 304 HG2 PRO 38 HG2 PRO 38 -5.279 7.708 -7.741 305 HG3 PRO 38 HG3 PRO 38 -4.591 6.181 -7.098 306 HD2 PRO 38 HD2 PRO 38 -7.456 6.866 -7.685 307 HD3 PRO 38 HD3 PRO 38 -6.602 5.299 -7.833 308 H ASP 39 H ASP 39 -5.929 7.711 -2.665 309 HA ASP 39 HA ASP 39 -6.880 9.216 -1.285 310 HB2 ASP 39 HB2 ASP 39 -7.468 10.407 -3.418 311 HB3 ASP 39 HB3 ASP 39 -9.060 9.620 -3.354 312 H GLN 40 H GLN 40 -9.375 7.165 -2.882 313 HA GLN 40 HA GLN 40 -11.121 7.059 -0.620 314 HB2 GLN 40 HB2 GLN 40 -10.653 5.212 -2.995 315 HB3 GLN 40 HB3 GLN 40 -11.956 4.975 -1.807 316 HG2 GLN 40 HG2 GLN 40 -12.890 7.174 -2.323 317 HG3 GLN 40 HG3 GLN 40 -11.538 7.526 -3.417 318 HE21 GLN 40 HE21 GLN 40 -13.358 6.326 -6.152 319 HE22 GLN 40 HE22 GLN 40 -12.367 7.580 -5.442 320 H GLN 41 H GLN 41 -8.027 5.744 -1.298 321 HA GLN 41 HA GLN 41 -8.264 3.833 0.966 322 HB2 GLN 41 HB2 GLN 41 -6.512 2.538 -0.130 323 HB3 GLN 41 HB3 GLN 41 -7.833 2.818 -1.282 324 HG2 GLN 41 HG2 GLN 41 -6.556 4.774 -2.196 325 HG3 GLN 41 HG3 GLN 41 -5.214 4.367 -1.107 326 HE21 GLN 41 HE21 GLN 41 -5.939 2.185 -4.532 327 HE22 GLN 41 HE22 GLN 41 -7.055 3.407 -3.969 328 H ARG 42 H ARG 42 -6.308 3.651 2.299 329 HA ARG 42 HA ARG 42 -4.319 5.797 2.078 330 HB2 ARG 42 HB2 ARG 42 -6.579 5.925 3.874 331 HB3 ARG 42 HB3 ARG 42 -5.081 5.762 4.821 332 HG2 ARG 42 HG2 ARG 42 -4.129 7.708 3.878 333 HG3 ARG 42 HG3 ARG 42 -5.250 7.707 2.499 334 HD2 ARG 42 HD2 ARG 42 -6.178 8.110 5.363 335 HD3 ARG 42 HD3 ARG 42 -5.703 9.451 4.301 336 HE ARG 42 HE ARG 42 -7.708 7.609 3.203 337 HH11 ARG 42 HH11 ARG 42 -7.025 10.649 4.876 338 HH12 ARG 42 HH12 ARG 42 -8.539 11.396 4.425 339 HH21 ARG 42 HH21 ARG 42 -9.687 8.604 2.577 340 HH22 ARG 42 HH22 ARG 42 -10.062 10.225 3.113 341 H LEU 43 H LEU 43 -2.368 5.207 2.931 342 HA LEU 43 HA LEU 43 -2.153 2.389 3.833 343 HB2 LEU 43 HB2 LEU 43 -0.430 4.315 2.264 344 HB3 LEU 43 HB3 LEU 43 0.318 2.942 3.100 345 HG LEU 43 HG LEU 43 -2.018 2.614 1.194 346 HD11 LEU 43 HD11 LEU 43 -0.085 3.592 -0.010 347 HD12 LEU 43 HD12 LEU 43 0.971 2.321 0.652 348 HD13 LEU 43 HD13 LEU 43 -0.339 1.894 -0.476 349 HD21 LEU 43 HD21 LEU 43 0.003 0.479 1.659 350 HD22 LEU 43 HD22 LEU 43 -1.012 0.883 3.071 351 HD23 LEU 43 HD23 LEU 43 -1.756 0.366 1.541 352 H ALA 44 H ALA 44 -0.564 1.853 5.444 353 HA ALA 44 HA ALA 44 0.756 3.953 6.954 354 HB1 ALA 44 HB1 ALA 44 -0.340 3.372 9.103 355 HB2 ALA 44 HB2 ALA 44 -1.496 4.069 7.943 356 HB3 ALA 44 HB3 ALA 44 -1.473 2.314 8.229 357 H PHE 45 H PHE 45 1.971 2.883 8.855 358 HA PHE 45 HA PHE 45 2.486 0.006 8.419 359 HB2 PHE 45 HB2 PHE 45 4.029 1.389 6.981 360 HB3 PHE 45 HB3 PHE 45 4.689 2.096 8.458 361 HD1 PHE 45 HD1 PHE 45 5.556 0.341 10.254 362 HD2 PHE 45 HD2 PHE 45 5.036 -0.498 6.071 363 HE1 PHE 45 HE1 PHE 45 7.156 -1.543 10.430 364 HE2 PHE 45 HE2 PHE 45 6.638 -2.380 6.249 365 HZ PHE 45 HZ PHE 45 7.703 -2.899 8.426 366 H ALA 46 H ALA 46 1.999 -0.769 10.413 367 HA ALA 46 HA ALA 46 1.938 -0.991 12.676 368 HB1 ALA 46 HB1 ALA 46 4.350 -1.356 12.298 369 HB2 ALA 46 HB2 ALA 46 4.644 0.387 12.512 370 HB3 ALA 46 HB3 ALA 46 4.037 -0.586 13.871 371 H GLY 47 H GLY 47 1.016 1.627 11.342 372 HA2 GLY 47 HA2 GLY 47 -0.412 3.142 12.520 373 HA3 GLY 47 HA3 GLY 47 0.710 3.115 13.895 374 H LYS 48 H LYS 48 2.861 3.219 11.498 375 HA LYS 48 HA LYS 48 3.191 6.107 11.637 376 HB2 LYS 48 HB2 LYS 48 4.642 4.007 9.972 377 HB3 LYS 48 HB3 LYS 48 5.183 5.673 10.267 378 HG2 LYS 48 HG2 LYS 48 5.351 5.206 12.685 379 HG3 LYS 48 HG3 LYS 48 4.760 3.549 12.418 380 HD2 LYS 48 HD2 LYS 48 6.705 3.084 10.963 381 HD3 LYS 48 HD3 LYS 48 7.304 4.739 11.230 382 HE2 LYS 48 HE2 LYS 48 7.486 4.299 13.645 383 HE3 LYS 48 HE3 LYS 48 6.834 2.664 13.413 384 HZ1 LYS 48 HZ1 LYS 48 8.730 2.168 12.051 385 HZ2 LYS 48 HZ2 LYS 48 9.336 3.687 12.263 386 HZ3 LYS 48 HZ3 LYS 48 9.214 2.661 13.548 387 H GLN 49 H GLN 49 2.210 7.531 10.292 388 HA GLN 49 HA GLN 49 0.592 6.621 8.096 389 HB2 GLN 49 HB2 GLN 49 1.579 9.450 8.594 390 HB3 GLN 49 HB3 GLN 49 0.086 8.936 7.776 391 HG2 GLN 49 HG2 GLN 49 -0.707 7.948 9.929 392 HG3 GLN 49 HG3 GLN 49 0.764 8.542 10.725 393 HE21 GLN 49 HE21 GLN 49 -2.103 11.278 9.463 394 HE22 GLN 49 HE22 GLN 49 -1.880 9.782 8.584 395 H LEU 50 H LEU 50 1.015 6.651 5.879 396 HA LEU 50 HA LEU 50 3.864 7.167 5.171 397 HB2 LEU 50 HB2 LEU 50 1.767 5.447 3.787 398 HB3 LEU 50 HB3 LEU 50 3.462 5.627 3.288 399 HG LEU 50 HG LEU 50 2.515 4.513 5.967 400 HD11 LEU 50 HD11 LEU 50 3.758 3.124 3.556 401 HD12 LEU 50 HD12 LEU 50 3.287 2.355 5.093 402 HD13 LEU 50 HD13 LEU 50 2.046 3.035 4.025 403 HD21 LEU 50 HD21 LEU 50 4.713 5.640 6.109 404 HD22 LEU 50 HD22 LEU 50 4.893 3.879 6.252 405 HD23 LEU 50 HD23 LEU 50 5.293 4.692 4.719 406 H GLU 51 H GLU 51 4.319 8.316 3.217 407 HA GLU 51 HA GLU 51 2.062 9.633 1.870 408 HB2 GLU 51 HB2 GLU 51 2.631 11.038 3.856 409 HB3 GLU 51 HB3 GLU 51 4.286 11.207 3.232 410 HG2 GLU 51 HG2 GLU 51 3.474 12.342 1.242 411 HG3 GLU 51 HG3 GLU 51 1.789 11.989 1.675 412 H ASP 52 H ASP 52 2.800 10.806 -0.081 413 HA ASP 52 HA ASP 52 4.893 9.300 -1.449 414 HB2 ASP 52 HB2 ASP 52 4.166 10.658 -3.388 415 HB3 ASP 52 HB3 ASP 52 2.796 9.864 -2.587 416 H GLY 53 H GLY 53 6.576 10.481 -2.729 417 HA2 GLY 53 HA2 GLY 53 7.767 12.554 -3.098 418 HA3 GLY 53 HA3 GLY 53 7.439 13.011 -1.417 419 H ARG 54 H ARG 54 8.107 9.769 -1.211 420 HA ARG 54 HA ARG 54 11.045 10.150 -1.204 421 HB2 ARG 54 HB2 ARG 54 10.241 10.737 1.051 422 HB3 ARG 54 HB3 ARG 54 9.403 9.176 1.166 423 HG2 ARG 54 HG2 ARG 54 11.540 7.980 1.009 424 HG3 ARG 54 HG3 ARG 54 12.404 9.519 0.769 425 HD2 ARG 54 HD2 ARG 54 11.658 10.287 2.991 426 HD3 ARG 54 HD3 ARG 54 10.771 8.768 3.229 427 HE ARG 54 HE ARG 54 13.361 7.968 2.679 428 HH11 ARG 54 HH11 ARG 54 11.837 10.133 5.023 429 HH12 ARG 54 HH12 ARG 54 13.056 9.881 6.252 430 HH21 ARG 54 HH21 ARG 54 14.947 7.611 4.300 431 HH22 ARG 54 HH22 ARG 54 14.836 8.435 5.840 432 H THR 55 H THR 55 12.241 8.153 -1.183 433 HA THR 55 HA THR 55 11.154 6.056 -2.748 434 HB THR 55 HB THR 55 13.531 6.047 -0.834 435 HG1 THR 55 HG1 THR 55 14.660 6.668 -2.730 436 HG21 THR 55 HG21 THR 55 14.430 4.309 -2.301 437 HG22 THR 55 HG22 THR 55 12.837 3.802 -1.695 438 HG23 THR 55 HG23 THR 55 13.005 4.423 -3.355 439 H LEU 56 H LEU 56 9.674 4.556 -2.157 440 HA LEU 56 HA LEU 56 8.688 4.437 0.477 441 HB2 LEU 56 HB2 LEU 56 7.323 2.577 -0.335 442 HB3 LEU 56 HB3 LEU 56 7.408 3.871 -1.542 443 HG LEU 56 HG LEU 56 9.486 2.396 -2.416 444 HD11 LEU 56 HD11 LEU 56 9.204 0.678 -0.611 445 HD12 LEU 56 HD12 LEU 56 7.550 0.379 -1.187 446 HD13 LEU 56 HD13 LEU 56 8.939 -0.002 -2.230 447 HD21 LEU 56 HD21 LEU 56 6.531 1.836 -2.912 448 HD22 LEU 56 HD22 LEU 56 7.529 3.056 -3.739 449 HD23 LEU 56 HD23 LEU 56 7.860 1.325 -3.977 450 H SER 57 H SER 57 11.173 2.438 -1.157 451 HA SER 57 HA SER 57 11.192 0.447 0.913 452 HB2 SER 57 HB2 SER 57 13.285 1.190 -1.170 453 HB3 SER 57 HB3 SER 57 13.271 -0.300 -0.196 454 HG SER 57 HG SER 57 12.291 -0.676 -2.185 455 H ASP 58 H ASP 58 12.606 3.631 0.599 456 HA ASP 58 HA ASP 58 14.552 3.091 2.755 457 HB2 ASP 58 HB2 ASP 58 15.213 4.439 0.780 458 HB3 ASP 58 HB3 ASP 58 13.936 5.611 1.166 459 H TYR 59 H TYR 59 11.311 4.157 2.272 460 HA TYR 59 HA TYR 59 11.189 5.983 4.488 461 HB2 TYR 59 HB2 TYR 59 9.674 5.548 2.309 462 HB3 TYR 59 HB3 TYR 59 8.736 4.607 3.472 463 HD1 TYR 59 HD1 TYR 59 8.429 7.450 1.874 464 HD2 TYR 59 HD2 TYR 59 9.060 6.233 5.949 465 HE1 TYR 59 HE1 TYR 59 7.397 9.565 2.660 466 HE2 TYR 59 HE2 TYR 59 8.026 8.338 6.744 467 HH TYR 59 HH TYR 59 7.028 10.319 6.148 468 H ASN 60 H ASN 60 9.421 2.853 4.058 469 HA ASN 60 HA ASN 60 10.175 2.048 6.788 470 HB2 ASN 60 HB2 ASN 60 7.423 2.957 5.951 471 HB3 ASN 60 HB3 ASN 60 7.603 1.671 7.162 472 HD21 ASN 60 HD21 ASN 60 7.843 5.449 8.381 473 HD22 ASN 60 HD22 ASN 60 7.093 4.902 6.901 474 H ILE 61 H ILE 61 8.829 1.401 3.587 475 HA ILE 61 HA ILE 61 7.818 -1.194 4.007 476 HB ILE 61 HB ILE 61 9.071 0.217 1.635 477 HG12 ILE 61 HG12 ILE 61 6.726 -0.337 0.747 478 HG13 ILE 61 HG13 ILE 61 6.310 -0.831 2.401 479 HG21 ILE 61 HG21 ILE 61 8.455 -1.772 0.269 480 HG22 ILE 61 HG22 ILE 61 9.756 -2.131 1.422 481 HG23 ILE 61 HG23 ILE 61 8.092 -2.666 1.764 482 HD11 ILE 61 HD11 ILE 61 5.722 1.571 1.797 483 HD12 ILE 61 HD12 ILE 61 6.764 1.405 3.234 484 HD13 ILE 61 HD13 ILE 61 7.460 1.895 1.676 485 H GLN 62 H GLN 62 8.711 -3.197 4.216 486 HA GLN 62 HA GLN 62 11.667 -3.411 3.970 487 HB2 GLN 62 HB2 GLN 62 9.878 -4.325 6.245 488 HB3 GLN 62 HB3 GLN 62 11.454 -5.078 5.919 489 HG2 GLN 62 HG2 GLN 62 12.529 -2.830 6.056 490 HG3 GLN 62 HG3 GLN 62 10.959 -2.135 6.508 491 HE21 GLN 62 HE21 GLN 62 11.400 -2.859 9.909 492 HE22 GLN 62 HE22 GLN 62 10.635 -1.902 8.661 493 H LYS 63 H LYS 63 12.305 -5.785 3.861 494 HA LYS 63 HA LYS 63 11.049 -6.944 1.620 495 HB2 LYS 63 HB2 LYS 63 12.542 -8.881 2.126 496 HB3 LYS 63 HB3 LYS 63 13.380 -7.316 2.133 497 HG2 LYS 63 HG2 LYS 63 13.100 -7.255 4.644 498 HG3 LYS 63 HG3 LYS 63 12.483 -8.921 4.559 499 HD2 LYS 63 HD2 LYS 63 14.592 -9.654 3.502 500 HD3 LYS 63 HD3 LYS 63 15.199 -7.981 3.547 501 HE2 LYS 63 HE2 LYS 63 14.953 -7.987 6.026 502 HE3 LYS 63 HE3 LYS 63 14.435 -9.683 5.954 503 HZ1 LYS 63 HZ1 LYS 63 17.034 -8.641 5.063 504 HZ2 LYS 63 HZ2 LYS 63 16.752 -9.482 6.452 505 HZ3 LYS 63 HZ3 LYS 63 16.557 -10.219 4.989 506 H GLU 64 H GLU 64 9.245 -8.061 1.411 507 HA GLU 64 HA GLU 64 7.325 -9.164 1.956 508 HB2 GLU 64 HB2 GLU 64 9.412 -10.829 3.416 509 HB3 GLU 64 HB3 GLU 64 7.762 -11.362 3.028 510 HG2 GLU 64 HG2 GLU 64 9.044 -12.202 1.243 511 HG3 GLU 64 HG3 GLU 64 8.316 -10.727 0.582 512 H SER 65 H SER 65 7.585 -6.892 3.579 513 HA SER 65 HA SER 65 6.796 -7.859 6.266 514 HB2 SER 65 HB2 SER 65 8.531 -5.941 5.693 515 HB3 SER 65 HB3 SER 65 7.059 -4.953 5.534 516 HG SER 65 HG SER 65 8.105 -6.312 7.765 517 H THR 66 H THR 66 4.939 -6.565 7.290 518 HA THR 66 HA THR 66 2.715 -6.579 5.338 519 HB THR 66 HB THR 66 2.684 -6.701 8.375 520 HG1 THR 66 HG1 THR 66 2.108 -8.859 6.692 521 HG21 THR 66 HG21 THR 66 0.545 -7.300 6.283 522 HG22 THR 66 HG22 THR 66 0.370 -7.507 8.041 523 HG23 THR 66 HG23 THR 66 0.578 -5.880 7.357 524 H LEU 67 H LEU 67 1.469 -4.827 4.936 525 HA LEU 67 HA LEU 67 2.057 -2.339 6.478 526 HB2 LEU 67 HB2 LEU 67 1.651 -2.898 3.561 527 HB3 LEU 67 HB3 LEU 67 0.938 -1.412 4.218 528 HG LEU 67 HG LEU 67 3.188 -0.878 5.253 529 HD11 LEU 67 HD11 LEU 67 5.162 -1.982 4.218 530 HD12 LEU 67 HD12 LEU 67 4.185 -3.138 5.148 531 HD13 LEU 67 HD13 LEU 67 4.081 -3.111 3.373 532 HD21 LEU 67 HD21 LEU 67 3.035 -1.146 2.221 533 HD22 LEU 67 HD22 LEU 67 2.351 0.184 3.185 534 HD23 LEU 67 HD23 LEU 67 4.113 -0.049 3.116 535 H HIS 68 H HIS 68 0.081 -0.764 6.167 536 HA HIS 68 HA HIS 68 -2.384 -2.308 6.828 537 HB2 HIS 68 HB2 HIS 68 -1.465 -1.273 8.808 538 HB3 HIS 68 HB3 HIS 68 -1.242 0.264 7.963 539 HD1 HIS 68 HD1 HIS 68 -4.569 -1.570 7.560 540 HD2 HIS 68 HD2 HIS 68 -2.794 1.549 9.755 541 HE1 HIS 68 HE1 HIS 68 -6.479 -0.255 8.635 542 H LEU 69 H LEU 69 -4.133 -1.895 5.624 543 HA LEU 69 HA LEU 69 -4.103 0.499 3.838 544 HB2 LEU 69 HB2 LEU 69 -3.501 -1.683 2.717 545 HB3 LEU 69 HB3 LEU 69 -5.060 -2.337 3.248 546 HG LEU 69 HG LEU 69 -6.094 -0.288 2.014 547 HD11 LEU 69 HD11 LEU 69 -3.391 -0.509 0.610 548 HD12 LEU 69 HD12 LEU 69 -4.738 0.557 0.149 549 HD13 LEU 69 HD13 LEU 69 -3.860 0.840 1.671 550 HD21 LEU 69 HD21 LEU 69 -6.113 -1.557 -0.097 551 HD22 LEU 69 HD22 LEU 69 -4.733 -2.529 0.466 552 HD23 LEU 69 HD23 LEU 69 -6.301 -2.638 1.299 553 H ALA 70 H ALA 70 -5.786 1.801 4.402 554 HA ALA 70 HA ALA 70 -8.240 0.519 5.523 555 HB1 ALA 70 HB1 ALA 70 -7.445 2.038 7.132 556 HB2 ALA 70 HB2 ALA 70 -6.899 3.210 5.897 557 HB3 ALA 70 HB3 ALA 70 -8.633 2.996 6.233 558 H LEU 71 H LEU 71 -10.214 0.869 4.506 559 HA LEU 71 HA LEU 71 -10.040 2.397 1.945 560 HB2 LEU 71 HB2 LEU 71 -11.542 -0.152 2.671 561 HB3 LEU 71 HB3 LEU 71 -11.827 0.770 1.190 562 HG LEU 71 HG LEU 71 -10.373 -0.973 0.581 563 HD11 LEU 71 HD11 LEU 71 -8.643 0.189 -0.430 564 HD12 LEU 71 HD12 LEU 71 -9.755 1.503 -0.025 565 HD13 LEU 71 HD13 LEU 71 -8.335 1.205 1.007 566 HD21 LEU 71 HD21 LEU 71 -9.640 -1.575 2.895 567 HD22 LEU 71 HD22 LEU 71 -8.322 -1.576 1.701 568 HD23 LEU 71 HD23 LEU 71 -8.482 -0.225 2.839 569 H ARG 72 H ARG 72 -12.295 2.939 1.101 570 HA ARG 72 HA ARG 72 -13.632 4.631 3.007 571 HB2 ARG 72 HB2 ARG 72 -15.137 5.071 1.074 572 HB3 ARG 72 HB3 ARG 72 -13.422 5.200 0.619 573 HG2 ARG 72 HG2 ARG 72 -13.466 2.923 -0.305 574 HG3 ARG 72 HG3 ARG 72 -15.159 2.725 0.196 575 HD2 ARG 72 HD2 ARG 72 -14.205 4.905 -1.697 576 HD3 ARG 72 HD3 ARG 72 -14.819 3.331 -2.239 577 HE ARG 72 HE ARG 72 -16.691 4.523 -0.443 578 HH11 ARG 72 HH11 ARG 72 -15.399 4.809 -3.732 579 HH12 ARG 72 HH12 ARG 72 -16.896 5.439 -4.394 580 HH21 ARG 72 HH21 ARG 72 -18.631 5.409 -1.321 581 HH22 ARG 72 HH22 ARG 72 -18.715 5.811 -3.023 582 H LEU 73 H LEU 73 -16.093 4.547 3.178 583 HA LEU 73 HA LEU 73 -16.956 1.919 4.106 584 HB2 LEU 73 HB2 LEU 73 -18.449 4.548 3.703 585 HB3 LEU 73 HB3 LEU 73 -19.093 3.120 4.537 586 HG LEU 73 HG LEU 73 -16.620 4.693 5.391 587 HD11 LEU 73 HD11 LEU 73 -18.048 5.412 7.281 588 HD12 LEU 73 HD12 LEU 73 -18.725 5.949 5.725 589 HD13 LEU 73 HD13 LEU 73 -19.429 4.548 6.568 590 HD21 LEU 73 HD21 LEU 73 -18.144 2.416 6.730 591 HD22 LEU 73 HD22 LEU 73 -16.511 2.305 6.027 592 HD23 LEU 73 HD23 LEU 73 -16.800 3.327 7.453 593 H ARG 74 H ARG 74 -19.120 1.026 3.251 594 HA ARG 74 HA ARG 74 -18.922 0.695 0.399 595 HB2 ARG 74 HB2 ARG 74 -19.782 -1.023 2.028 596 HB3 ARG 74 HB3 ARG 74 -21.277 -0.062 2.175 597 HG2 ARG 74 HG2 ARG 74 -21.659 -0.235 -0.246 598 HG3 ARG 74 HG3 ARG 74 -20.087 -1.018 -0.461 599 HD2 ARG 74 HD2 ARG 74 -21.744 -2.755 -0.501 600 HD3 ARG 74 HD3 ARG 74 -20.885 -2.874 1.059 601 HE ARG 74 HE ARG 74 -23.010 -1.314 1.697 602 HH11 ARG 74 HH11 ARG 74 -22.802 -4.285 -0.181 603 HH12 ARG 74 HH12 ARG 74 -24.361 -4.890 0.329 604 HH21 ARG 74 HH21 ARG 74 -25.065 -2.049 2.349 605 HH22 ARG 74 HH22 ARG 74 -25.676 -3.579 1.771 606 H GLY 75 H GLY 75 -20.853 2.730 2.578 607 HA2 GLY 75 HA2 GLY 75 -21.692 4.845 1.941 608 HA3 GLY 75 HA3 GLY 75 -21.642 4.350 0.234 609 H GLY 76 H GLY 76 -22.891 1.715 1.780 610 HA2 GLY 76 HA2 GLY 76 -25.456 2.223 2.604 611 HA3 GLY 76 HA3 GLY 76 -25.565 2.251 0.826
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