NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614963 | 5izb | 30042 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 7.691 -3.811 7.783 2 H2 MET 1 2H MET 1 8.502 -4.472 6.459 3 H3 MET 1 3H MET 1 7.774 -5.492 7.590 4 HA MET 1 HA MET 1 5.600 -4.653 6.979 5 HB2 MET 1 1HB MET 1 6.943 -3.274 4.613 6 HB3 MET 1 2HB MET 1 5.278 -3.111 5.155 7 HG2 MET 1 1HG MET 1 6.420 -1.076 5.688 8 HG3 MET 1 2HG MET 1 6.172 -1.941 7.211 9 HE1 MET 1 1HE MET 1 8.083 -0.198 8.238 10 HE2 MET 1 2HE MET 1 8.343 0.495 6.640 11 HE3 MET 1 3HE MET 1 9.714 -0.094 7.581 12 H ILE 2 H ILE 2 4.650 -6.401 5.935 13 HA ILE 2 HA ILE 2 6.343 -8.121 4.260 14 HB ILE 2 HB ILE 2 3.483 -8.692 5.166 15 HG12 ILE 2 1HG1 ILE 2 6.070 -9.487 6.578 16 HG13 ILE 2 2HG1 ILE 2 4.908 -8.310 7.176 17 HG21 ILE 2 1HG2 ILE 2 4.268 -10.088 3.290 18 HG22 ILE 2 2HG2 ILE 2 4.080 -11.056 4.752 19 HG23 ILE 2 3HG2 ILE 2 5.689 -10.562 4.228 20 HD11 ILE 2 1HD1 ILE 2 4.677 -10.397 8.349 21 HD12 ILE 2 2HD1 ILE 2 4.443 -11.273 6.838 22 HD13 ILE 2 3HD1 ILE 2 3.232 -10.107 7.381 23 H LEU 3 H LEU 3 5.922 -8.527 2.054 24 HA LEU 3 HA LEU 3 3.924 -6.765 0.750 25 HB2 LEU 3 1HB LEU 3 6.259 -6.172 0.215 26 HB3 LEU 3 2HB LEU 3 6.585 -7.818 -0.294 27 HG LEU 3 HG LEU 3 4.909 -7.508 -2.173 28 HD11 LEU 3 1HD1 LEU 3 4.929 -4.604 -1.309 29 HD12 LEU 3 2HD1 LEU 3 3.543 -5.698 -1.337 30 HD13 LEU 3 3HD1 LEU 3 4.298 -5.200 -2.844 31 HD21 LEU 3 1HD2 LEU 3 7.313 -7.331 -2.592 32 HD22 LEU 3 2HD2 LEU 3 7.267 -5.609 -2.207 33 HD23 LEU 3 3HD2 LEU 3 6.405 -6.222 -3.619 34 H GLU 4 H GLU 4 2.180 -7.942 0.164 35 HA GLU 4 HA GLU 4 2.428 -10.683 -0.897 36 HB2 GLU 4 1HB GLU 4 -0.100 -9.003 -0.469 37 HB3 GLU 4 2HB GLU 4 -0.046 -10.705 -0.915 38 HG2 GLU 4 1HG GLU 4 -0.639 -10.610 1.372 39 HG3 GLU 4 2HG GLU 4 1.023 -11.172 1.309 40 H ALA 5 H ALA 5 1.707 -11.219 -3.012 41 HA ALA 5 HA ALA 5 0.962 -9.010 -4.860 42 HB1 ALA 5 1HB ALA 5 3.108 -10.048 -5.509 43 HB2 ALA 5 2HB ALA 5 1.856 -10.405 -6.700 44 HB3 ALA 5 3HB ALA 5 2.346 -11.638 -5.534 45 H HIS 6 H HIS 6 -0.862 -9.423 -6.233 46 HA HIS 6 HA HIS 6 -2.797 -11.276 -5.131 47 HB2 HIS 6 1HB HIS 6 -4.434 -10.198 -6.457 48 HB3 HIS 6 2HB HIS 6 -3.326 -8.912 -5.992 49 HD1 HIS 6 HD1 HIS 6 -5.248 -9.751 -8.741 50 HD2 HIS 6 HD2 HIS 6 -1.220 -8.782 -8.358 51 HE1 HIS 6 HE1 HIS 6 -4.525 -8.905 -10.999 52 HE2 HIS 6 HE2 HIS 6 -2.153 -8.162 -10.688 53 H TYR 7 H TYR 7 -3.549 -13.150 -6.030 54 HA TYR 7 HA TYR 7 -2.823 -13.907 -8.785 55 HB2 TYR 7 2HB TYR 7 -2.567 -15.809 -6.402 56 HB3 TYR 7 1HB TYR 7 -2.308 -16.231 -8.091 57 HD1 TYR 7 1HD TYR 7 -0.315 -15.203 -9.331 58 HD2 TYR 7 2HD TYR 7 -0.784 -14.829 -5.092 59 HE1 TYR 7 1HE TYR 7 2.062 -14.606 -9.110 60 HE2 TYR 7 2HE TYR 7 1.589 -14.235 -4.884 61 HH TYR 7 HH TYR 7 3.702 -14.604 -6.178 62 H THR 8 H THR 8 -4.706 -14.838 -5.891 63 HA THR 8 HA THR 8 -6.980 -15.712 -7.527 64 HB THR 8 HB THR 8 -7.936 -16.545 -5.364 65 HG1 THR 8 1HG THR 8 -5.575 -16.283 -3.959 66 HG21 THR 8 1HG2 THR 8 -6.352 -18.386 -4.979 67 HG22 THR 8 2HG2 THR 8 -5.089 -17.499 -5.833 68 HG23 THR 8 3HG2 THR 8 -6.511 -18.066 -6.709 69 H ASN 9 H ASN 9 -5.933 -12.881 -5.951 70 HA ASN 9 HA ASN 9 -8.514 -11.851 -5.155 71 HB2 ASN 9 1HB ASN 9 -6.477 -11.129 -3.979 72 HB3 ASN 9 2HB ASN 9 -5.831 -10.447 -5.465 73 HD21 ASN 9 1HD2 ASN 9 -7.050 -7.389 -4.248 74 HD22 ASN 9 2HD2 ASN 9 -5.675 -8.363 -4.618 75 H LEU 10 H LEU 10 -9.930 -11.654 -6.771 76 HA LEU 10 HA LEU 10 -9.258 -10.162 -9.254 77 HB2 LEU 10 1HB LEU 10 -9.800 -12.806 -9.160 78 HB3 LEU 10 2HB LEU 10 -11.454 -12.244 -9.175 79 HG LEU 10 HG LEU 10 -9.431 -11.585 -11.372 80 HD11 LEU 10 1HD1 LEU 10 -11.490 -13.814 -11.314 81 HD12 LEU 10 2HD1 LEU 10 -9.735 -14.001 -11.286 82 HD13 LEU 10 3HD1 LEU 10 -10.523 -13.341 -12.714 83 HD21 LEU 10 1HD2 LEU 10 -11.407 -11.064 -12.753 84 HD22 LEU 10 2HD2 LEU 10 -11.333 -10.030 -11.329 85 HD23 LEU 10 3HD2 LEU 10 -12.463 -11.383 -11.371 86 H LYS 11 H LYS 11 -10.435 -9.314 -6.528 87 HA LYS 11 HA LYS 11 -12.857 -7.952 -7.368 88 HB2 LYS 11 1HB LYS 11 -14.314 -9.087 -5.666 89 HB3 LYS 11 2HB LYS 11 -13.787 -10.174 -6.941 90 HG2 LYS 11 1HG LYS 11 -12.032 -11.087 -5.403 91 HG3 LYS 11 2HG LYS 11 -12.657 -10.053 -4.118 92 HD2 LYS 11 1HD LYS 11 -14.202 -12.266 -5.531 93 HD3 LYS 11 2HD LYS 11 -13.516 -12.365 -3.910 94 HE2 LYS 11 1HE LYS 11 -15.032 -10.574 -3.147 95 HE3 LYS 11 2HE LYS 11 -15.702 -10.435 -4.773 96 HZ1 LYS 11 1HZ LYS 11 -16.505 -12.713 -4.587 97 HZ2 LYS 11 2HZ LYS 11 -17.127 -11.751 -3.347 98 HZ3 LYS 11 3HZ LYS 11 -15.867 -12.831 -3.028 99 H CYS 12 H CYS 12 -10.514 -6.866 -6.564 100 HA CYS 12 HA CYS 12 -10.066 -6.327 -3.863 101 HB2 CYS 12 2HB CYS 12 -9.552 -4.456 -6.215 102 HB3 CYS 12 1HB CYS 12 -8.790 -4.362 -4.631 103 H ARG 13 H ARG 13 -11.731 -5.665 -2.543 104 HA ARG 13 HA ARG 13 -13.297 -3.260 -3.233 105 HB2 ARG 13 1HB ARG 13 -14.409 -5.366 -2.299 106 HB3 ARG 13 2HB ARG 13 -13.559 -5.069 -0.794 107 HG2 ARG 13 1HG ARG 13 -14.950 -2.634 -1.478 108 HG3 ARG 13 2HG ARG 13 -16.086 -3.963 -1.682 109 HD2 ARG 13 1HD ARG 13 -16.228 -3.021 0.577 110 HD3 ARG 13 2HD ARG 13 -15.641 -4.689 0.638 111 HE ARG 13 HE ARG 13 -13.560 -2.683 0.545 112 HH11 ARG 13 1HH1 ARG 13 -15.594 -4.522 2.756 113 HH12 ARG 13 2HH1 ARG 13 -14.499 -4.325 4.085 114 HH21 ARG 13 1HH2 ARG 13 -12.141 -2.502 2.249 115 HH22 ARG 13 2HH2 ARG 13 -12.534 -3.174 3.795 116 H CYS 14 H CYS 14 -11.756 -1.682 -3.039 117 HA CYS 14 HA CYS 14 -10.103 -1.490 -0.582 118 HB2 CYS 14 2HB CYS 14 -9.252 -1.729 -3.248 119 HB3 CYS 14 1HB CYS 14 -9.076 -0.009 -2.931 120 H SER 15 H SER 15 -9.605 0.671 0.166 121 HA SER 15 HA SER 15 -11.913 2.399 0.189 122 HB2 SER 15 1HB SER 15 -9.207 2.769 1.552 123 HB3 SER 15 2HB SER 15 -10.706 3.602 1.960 124 HG SER 15 HG SER 15 -9.857 1.429 3.036 125 H GLY 16 H GLY 16 -11.449 2.668 -2.321 126 HA2 GLY 16 1HA GLY 16 -10.816 3.904 -4.135 127 HA3 GLY 16 2HA GLY 16 -10.755 5.258 -3.016 128 H VAL 17 H VAL 17 -8.918 6.230 -3.904 129 HA VAL 17 HA VAL 17 -6.408 4.971 -2.979 130 HB VAL 17 HB VAL 17 -5.150 6.186 -4.823 131 HG11 VAL 17 1HG1 VAL 17 -7.060 4.007 -5.751 132 HG12 VAL 17 2HG1 VAL 17 -5.509 3.763 -4.947 133 HG13 VAL 17 3HG1 VAL 17 -5.559 4.475 -6.559 134 HG21 VAL 17 1HG2 VAL 17 -7.900 6.507 -6.101 135 HG22 VAL 17 2HG2 VAL 17 -6.356 6.865 -6.879 136 HG23 VAL 17 3HG2 VAL 17 -6.884 7.814 -5.491 137 H ILE 18 H ILE 18 -5.221 6.275 -1.694 138 HA ILE 18 HA ILE 18 -6.022 9.104 -1.342 139 HB ILE 18 HB ILE 18 -5.233 7.285 0.995 140 HG12 ILE 18 1HG1 ILE 18 -8.103 7.922 0.135 141 HG13 ILE 18 2HG1 ILE 18 -7.335 6.348 -0.008 142 HG21 ILE 18 1HG2 ILE 18 -6.736 9.932 0.942 143 HG22 ILE 18 2HG2 ILE 18 -5.022 9.755 1.300 144 HG23 ILE 18 3HG2 ILE 18 -6.219 9.054 2.381 145 HD11 ILE 18 1HD1 ILE 18 -8.019 7.784 2.558 146 HD12 ILE 18 2HD1 ILE 18 -7.162 6.244 2.458 147 HD13 ILE 18 3HD1 ILE 18 -8.821 6.370 1.876 148 H SER 19 H SER 19 -4.269 10.462 -1.345 149 HA SER 19 HA SER 19 -1.620 9.309 -1.832 150 HB2 SER 19 1HB SER 19 -2.703 12.137 -2.179 151 HB3 SER 19 2HB SER 19 -1.065 11.627 -2.611 152 HG SER 19 HG SER 19 -3.517 10.705 -3.704 153 H THR 20 H THR 20 -2.907 9.651 0.947 154 HA THR 20 HA THR 20 -1.268 11.576 2.337 155 HB THR 20 HB THR 20 -2.294 10.522 4.411 156 HG1 THR 20 1HG THR 20 -2.687 8.425 3.419 157 HG21 THR 20 1HG2 THR 20 -3.371 12.478 3.373 158 HG22 THR 20 2HG2 THR 20 -4.578 11.363 4.016 159 HG23 THR 20 3HG2 THR 20 -4.266 11.413 2.282 160 H VAL 21 H VAL 21 0.631 11.195 3.390 161 HA VAL 21 HA VAL 21 2.116 8.800 2.846 162 HB VAL 21 HB VAL 21 2.852 11.071 4.763 163 HG11 VAL 21 1HG1 VAL 21 4.178 9.044 5.165 164 HG12 VAL 21 2HG1 VAL 21 5.192 10.287 4.432 165 HG13 VAL 21 3HG1 VAL 21 4.591 8.948 3.452 166 HG21 VAL 21 1HG2 VAL 21 4.203 12.009 2.898 167 HG22 VAL 21 2HG2 VAL 21 2.488 11.981 2.500 168 HG23 VAL 21 3HG2 VAL 21 3.566 10.767 1.819 169 H VAL 22 H VAL 22 1.682 6.959 3.913 170 HA VAL 22 HA VAL 22 0.411 6.910 6.536 171 HB VAL 22 HB VAL 22 1.317 4.572 4.786 172 HG11 VAL 22 1HG1 VAL 22 0.971 3.908 7.138 173 HG12 VAL 22 2HG1 VAL 22 -0.279 3.214 6.104 174 HG13 VAL 22 3HG1 VAL 22 -0.647 4.617 7.108 175 HG21 VAL 22 1HG2 VAL 22 -1.430 5.850 4.942 176 HG22 VAL 22 2HG2 VAL 22 -1.009 4.415 4.004 177 HG23 VAL 22 3HG2 VAL 22 -0.309 5.982 3.585 178 H GLY 23 H GLY 23 1.381 6.179 8.442 179 HA2 GLY 23 1HA GLY 23 4.086 6.704 8.920 180 HA3 GLY 23 2HA GLY 23 3.012 5.824 9.995 181 H LEU 24 H LEU 24 5.800 5.595 8.263 182 HA LEU 24 HA LEU 24 5.794 3.173 6.910 183 HB2 LEU 24 1HB LEU 24 8.014 4.781 8.187 184 HB3 LEU 24 2HB LEU 24 8.378 3.208 7.498 185 HG LEU 24 HG LEU 24 7.701 3.963 5.271 186 HD11 LEU 24 1HD1 LEU 24 7.087 6.282 4.764 187 HD12 LEU 24 2HD1 LEU 24 7.035 6.649 6.488 188 HD13 LEU 24 3HD1 LEU 24 5.888 5.501 5.794 189 HD21 LEU 24 1HD2 LEU 24 9.478 5.628 4.860 190 HD22 LEU 24 2HD2 LEU 24 10.019 4.334 5.928 191 HD23 LEU 24 3HD2 LEU 24 9.602 5.912 6.599 192 H ASN 25 H ASN 25 6.451 3.777 10.318 193 HA ASN 25 HA ASN 25 7.296 1.175 11.067 194 HB2 ASN 25 1HB ASN 25 7.791 3.200 12.405 195 HB3 ASN 25 2HB ASN 25 6.076 3.415 12.751 196 HD21 ASN 25 1HD2 ASN 25 6.004 1.011 15.336 197 HD22 ASN 25 2HD2 ASN 25 5.079 2.004 14.266 198 H ILE 26 H ILE 26 4.083 2.711 10.844 199 HA ILE 26 HA ILE 26 2.820 0.539 12.360 200 HB ILE 26 HB ILE 26 0.766 1.780 12.338 201 HG12 ILE 26 1HG1 ILE 26 2.027 3.771 10.382 202 HG13 ILE 26 2HG1 ILE 26 0.813 2.576 9.953 203 HG21 ILE 26 1HG2 ILE 26 1.446 3.897 13.436 204 HG22 ILE 26 2HG2 ILE 26 3.076 3.710 12.790 205 HG23 ILE 26 3HG2 ILE 26 2.453 2.544 13.959 206 HD11 ILE 26 1HD1 ILE 26 0.450 4.936 11.786 207 HD12 ILE 26 2HD1 ILE 26 -0.773 3.704 11.473 208 HD13 ILE 26 3HD1 ILE 26 -0.202 4.733 10.160 209 H ILE 27 H ILE 27 3.472 1.320 9.066 210 HA ILE 27 HA ILE 27 1.480 -0.195 7.760 211 HB ILE 27 HB ILE 27 4.381 0.249 6.936 212 HG12 ILE 27 1HG1 ILE 27 1.825 1.689 6.107 213 HG13 ILE 27 2HG1 ILE 27 3.083 2.345 7.140 214 HG21 ILE 27 1HG2 ILE 27 3.658 -0.382 4.638 215 HG22 ILE 27 2HG2 ILE 27 2.064 -0.801 5.265 216 HG23 ILE 27 3HG2 ILE 27 3.478 -1.725 5.771 217 HD11 ILE 27 1HD1 ILE 27 3.288 1.719 4.203 218 HD12 ILE 27 2HD1 ILE 27 4.648 2.220 5.215 219 HD13 ILE 27 3HD1 ILE 27 3.279 3.300 4.984 220 H ASP 28 H ASP 28 0.993 -2.215 8.270 221 HA ASP 28 HA ASP 28 2.920 -4.134 9.323 222 HB2 ASP 28 1HB ASP 28 0.830 -4.109 10.474 223 HB3 ASP 28 2HB ASP 28 -0.099 -4.071 8.988 224 H ARG 29 H ARG 29 0.586 -3.994 6.594 225 HA ARG 29 HA ARG 29 2.348 -5.712 4.972 226 HB2 ARG 29 1HB ARG 29 -0.518 -6.366 5.744 227 HB3 ARG 29 2HB ARG 29 0.147 -6.958 4.226 228 HG2 ARG 29 1HG ARG 29 1.957 -8.101 5.478 229 HG3 ARG 29 2HG ARG 29 1.246 -7.555 6.993 230 HD2 ARG 29 1HD ARG 29 -0.241 -9.295 5.000 231 HD3 ARG 29 2HD ARG 29 0.736 -9.948 6.315 232 HE ARG 29 HE ARG 29 -1.076 -8.147 7.445 233 HH11 ARG 29 1HH1 ARG 29 -1.239 -11.229 5.733 234 HH12 ARG 29 2HH1 ARG 29 -2.686 -11.729 6.542 235 HH21 ARG 29 1HH2 ARG 29 -2.916 -8.895 8.567 236 HH22 ARG 29 2HH2 ARG 29 -3.632 -10.413 8.146 237 H ILE 30 H ILE 30 1.975 -5.640 2.740 238 HA ILE 30 HA ILE 30 0.252 -3.522 1.619 239 HB ILE 30 HB ILE 30 3.254 -3.814 1.000 240 HG12 ILE 30 1HG1 ILE 30 1.758 -1.451 2.222 241 HG13 ILE 30 2HG1 ILE 30 2.862 -2.517 3.079 242 HG21 ILE 30 1HG2 ILE 30 2.966 -1.970 -0.629 243 HG22 ILE 30 2HG2 ILE 30 1.233 -1.952 -0.313 244 HG23 ILE 30 3HG2 ILE 30 1.974 -3.363 -1.069 245 HD11 ILE 30 1HD1 ILE 30 3.588 -0.607 0.855 246 HD12 ILE 30 2HD1 ILE 30 4.707 -1.717 1.652 247 HD13 ILE 30 3HD1 ILE 30 3.939 -0.426 2.574 248 H GLN 31 H GLN 31 -0.969 -4.646 0.118 249 HA GLN 31 HA GLN 31 0.306 -6.828 -1.432 250 HB2 GLN 31 1HB GLN 31 -1.818 -7.409 -0.306 251 HB3 GLN 31 2HB GLN 31 -2.640 -6.095 -1.145 252 HG2 GLN 31 1HG GLN 31 -2.172 -7.216 -3.319 253 HG3 GLN 31 2HG GLN 31 -1.396 -8.543 -2.456 254 HE21 GLN 31 1HE2 GLN 31 -4.822 -9.259 -0.982 255 HE22 GLN 31 2HE2 GLN 31 -3.391 -8.592 -0.282 256 H VAL 32 H VAL 32 1.032 -6.268 -3.383 257 HA VAL 32 HA VAL 32 -0.055 -3.953 -4.823 258 HB VAL 32 HB VAL 32 1.674 -4.442 -6.557 259 HG11 VAL 32 1HG1 VAL 32 2.789 -4.196 -3.738 260 HG12 VAL 32 2HG1 VAL 32 2.177 -2.875 -4.733 261 HG13 VAL 32 3HG1 VAL 32 3.631 -3.744 -5.223 262 HG21 VAL 32 1HG2 VAL 32 1.879 -6.904 -6.254 263 HG22 VAL 32 2HG2 VAL 32 2.682 -6.644 -4.705 264 HG23 VAL 32 3HG2 VAL 32 3.447 -6.099 -6.195 265 H THR 33 H THR 33 -1.601 -4.099 -6.291 266 HA THR 33 HA THR 33 -2.185 -6.666 -7.655 267 HB THR 33 HB THR 33 -4.227 -4.665 -6.589 268 HG1 THR 33 1HG THR 33 -3.603 -5.867 -4.885 269 HG21 THR 33 1HG2 THR 33 -5.957 -6.283 -7.298 270 HG22 THR 33 2HG2 THR 33 -4.717 -7.293 -8.036 271 HG23 THR 33 3HG2 THR 33 -5.040 -5.686 -8.683 272 HA PRO 34 HA PRO 34 -1.530 -3.374 -10.961 273 HB2 PRO 34 2HB PRO 34 -0.100 -4.969 -12.690 274 HB3 PRO 34 1HB PRO 34 0.662 -4.082 -11.357 275 HG2 PRO 34 2HG PRO 34 -0.171 -6.964 -11.451 276 HG3 PRO 34 1HG PRO 34 1.351 -6.259 -10.858 277 HD2 PRO 34 2HD PRO 34 -0.621 -6.989 -9.166 278 HD3 PRO 34 1HD PRO 34 0.405 -5.576 -8.837 279 HA PRO 35 HA PRO 35 -5.001 -4.810 -13.431 280 HB2 PRO 35 2HB PRO 35 -3.990 -3.283 -15.791 281 HB3 PRO 35 1HB PRO 35 -5.445 -3.002 -14.812 282 HG2 PRO 35 2HG PRO 35 -3.346 -1.331 -14.695 283 HG3 PRO 35 1HG PRO 35 -4.334 -1.688 -13.258 284 HD2 PRO 35 2HD PRO 35 -1.655 -2.852 -14.034 285 HD3 PRO 35 1HD PRO 35 -2.204 -2.250 -12.453 286 H GLY 36 H GLY 36 -4.202 -6.985 -13.471 287 HA2 GLY 36 1HA GLY 36 -3.820 -8.143 -16.034 288 HA3 GLY 36 2HA GLY 36 -2.288 -8.084 -15.165 289 H ASN 37 H ASN 37 -5.280 -9.698 -15.509 290 HA ASN 37 HA ASN 37 -6.201 -11.578 -14.655 291 HB2 ASN 37 1HB ASN 37 -3.976 -12.517 -15.278 292 HB3 ASN 37 2HB ASN 37 -3.356 -12.130 -13.675 293 HD21 ASN 37 1HD2 ASN 37 -4.661 -15.016 -12.168 294 HD22 ASN 37 2HD2 ASN 37 -3.889 -13.486 -11.952 295 H GLY 38 H GLY 38 -7.143 -9.726 -13.293 296 HA2 GLY 38 1HA GLY 38 -7.866 -10.615 -10.791 297 HA3 GLY 38 2HA GLY 38 -6.479 -9.573 -10.506 298 H CYS 39 H CYS 39 -6.970 -7.523 -10.067 299 HA CYS 39 HA CYS 39 -9.708 -6.569 -10.388 300 HB2 CYS 39 2HB CYS 39 -7.353 -5.346 -8.887 301 HB3 CYS 39 1HB CYS 39 -9.048 -4.878 -8.731 302 HA PRO 40 HA PRO 40 -9.263 -4.175 -13.994 303 HB2 PRO 40 2HB PRO 40 -10.588 -1.779 -13.490 304 HB3 PRO 40 1HB PRO 40 -11.415 -3.334 -13.722 305 HG2 PRO 40 2HG PRO 40 -10.663 -1.983 -11.144 306 HG3 PRO 40 1HG PRO 40 -12.211 -2.734 -11.604 307 HD2 PRO 40 2HD PRO 40 -10.478 -4.061 -10.062 308 HD3 PRO 40 1HD PRO 40 -11.381 -4.920 -11.331 309 H LYS 41 H LYS 41 -8.352 -2.142 -11.185 310 HA LYS 41 HA LYS 41 -6.209 -0.883 -12.819 311 HB2 LYS 41 1HB LYS 41 -6.532 1.228 -11.686 312 HB3 LYS 41 2HB LYS 41 -8.095 0.713 -12.303 313 HG2 LYS 41 1HG LYS 41 -8.733 -0.063 -10.034 314 HG3 LYS 41 2HG LYS 41 -7.171 0.487 -9.420 315 HD2 LYS 41 1HD LYS 41 -7.787 2.822 -10.230 316 HD3 LYS 41 2HD LYS 41 -9.406 2.207 -10.567 317 HE2 LYS 41 1HE LYS 41 -8.032 2.365 -7.868 318 HE3 LYS 41 2HE LYS 41 -9.411 3.319 -8.411 319 HZ1 LYS 41 1HZ LYS 41 -9.368 0.394 -7.900 320 HZ2 LYS 41 2HZ LYS 41 -10.698 1.240 -8.521 321 HZ3 LYS 41 3HZ LYS 41 -10.133 1.574 -6.965 322 H THR 42 H THR 42 -4.453 0.110 -11.251 323 HA THR 42 HA THR 42 -3.416 -2.049 -9.727 324 HB THR 42 HB THR 42 -2.363 0.807 -9.693 325 HG1 THR 42 1HG THR 42 -1.145 0.197 -11.473 326 HG21 THR 42 1HG2 THR 42 -1.036 -1.885 -9.124 327 HG22 THR 42 2HG2 THR 42 -1.368 -0.619 -7.942 328 HG23 THR 42 3HG2 THR 42 -0.176 -0.347 -9.212 329 H GLU 43 H GLU 43 -4.109 -2.587 -7.762 330 HA GLU 43 HA GLU 43 -5.024 -0.528 -5.836 331 HB2 GLU 43 1HB GLU 43 -5.497 -3.542 -5.740 332 HB3 GLU 43 2HB GLU 43 -6.315 -2.317 -4.783 333 HG2 GLU 43 1HG GLU 43 -6.582 -2.509 -7.797 334 HG3 GLU 43 2HG GLU 43 -7.639 -3.373 -6.696 335 H VAL 44 H VAL 44 -3.239 0.044 -4.643 336 HA VAL 44 HA VAL 44 -1.470 -2.075 -3.587 337 HB VAL 44 HB VAL 44 -1.113 0.951 -3.342 338 HG11 VAL 44 1HG1 VAL 44 0.844 -1.323 -2.834 339 HG12 VAL 44 2HG1 VAL 44 0.026 -0.378 -1.589 340 HG13 VAL 44 3HG1 VAL 44 1.186 0.395 -2.659 341 HG21 VAL 44 1HG2 VAL 44 -1.001 0.300 -5.723 342 HG22 VAL 44 2HG2 VAL 44 0.208 -0.927 -5.342 343 HG23 VAL 44 3HG2 VAL 44 0.589 0.782 -5.127 344 H VAL 45 H VAL 45 -2.386 -2.944 -1.831 345 HA VAL 45 HA VAL 45 -4.268 -1.377 -0.199 346 HB VAL 45 HB VAL 45 -3.856 -4.409 -0.168 347 HG11 VAL 45 1HG1 VAL 45 -5.031 -3.509 1.787 348 HG12 VAL 45 2HG1 VAL 45 -6.125 -4.474 0.792 349 HG13 VAL 45 3HG1 VAL 45 -6.205 -2.712 0.732 350 HG21 VAL 45 1HG2 VAL 45 -5.822 -4.629 -1.674 351 HG22 VAL 45 2HG2 VAL 45 -4.473 -3.832 -2.474 352 HG23 VAL 45 3HG2 VAL 45 -5.838 -2.880 -1.900 353 H ILE 46 H ILE 46 -3.170 -0.423 1.449 354 HA ILE 46 HA ILE 46 -0.978 -1.819 2.846 355 HB ILE 46 HB ILE 46 -1.911 1.084 3.064 356 HG12 ILE 46 1HG1 ILE 46 0.527 -0.113 1.674 357 HG13 ILE 46 2HG1 ILE 46 -0.853 0.632 0.880 358 HG21 ILE 46 1HG2 ILE 46 -0.921 0.323 5.194 359 HG22 ILE 46 2HG2 ILE 46 0.147 1.476 4.396 360 HG23 ILE 46 3HG2 ILE 46 0.514 -0.247 4.336 361 HD11 ILE 46 1HD1 ILE 46 0.981 2.142 0.855 362 HD12 ILE 46 2HD1 ILE 46 1.211 2.002 2.593 363 HD13 ILE 46 3HD1 ILE 46 -0.236 2.787 1.950 364 H TRP 47 H TRP 47 -1.860 -3.190 4.352 365 HA TRP 47 HA TRP 47 -3.939 -2.316 6.206 366 HB2 TRP 47 2HB TRP 47 -2.133 -4.781 6.202 367 HB3 TRP 47 1HB TRP 47 -3.397 -4.478 7.393 368 HD1 TRP 47 1HD TRP 47 -5.945 -4.774 6.587 369 HE1 TRP 47 1HE TRP 47 -6.983 -6.021 4.593 370 HE3 TRP 47 3HE TRP 47 -1.752 -5.348 3.718 371 HZ2 TRP 47 2HZ TRP 47 -6.138 -7.128 2.138 372 HZ3 TRP 47 3HZ TRP 47 -1.948 -6.509 1.560 373 HH2 TRP 47 2HH TRP 47 -4.098 -7.380 0.783 374 H THR 48 H THR 48 -3.435 -0.936 7.807 375 HA THR 48 HA THR 48 -0.743 -0.732 8.934 376 HB THR 48 HB THR 48 -1.776 1.000 10.430 377 HG1 THR 48 1HG THR 48 -4.171 0.878 8.961 378 HG21 THR 48 1HG2 THR 48 -0.909 1.688 8.202 379 HG22 THR 48 2HG2 THR 48 -2.282 2.675 8.700 380 HG23 THR 48 3HG2 THR 48 -2.506 1.401 7.501 381 H LYS 49 H LYS 49 -0.446 -0.979 11.275 382 HA LYS 49 HA LYS 49 -1.265 -3.462 12.340 383 HB2 LYS 49 1HB LYS 49 -0.068 -2.781 14.378 384 HB3 LYS 49 2HB LYS 49 0.873 -2.354 12.956 385 HG2 LYS 49 1HG LYS 49 0.104 0.005 13.172 386 HG3 LYS 49 2HG LYS 49 -0.801 -0.435 14.618 387 HD2 LYS 49 1HD LYS 49 2.212 -0.683 14.299 388 HD3 LYS 49 2HD LYS 49 1.389 0.643 15.118 389 HE2 LYS 49 1HE LYS 49 0.573 -0.857 16.852 390 HE3 LYS 49 2HE LYS 49 1.187 -2.268 15.981 391 HZ1 LYS 49 1HZ LYS 49 2.848 -0.085 17.132 392 HZ2 LYS 49 2HZ LYS 49 3.438 -1.440 16.307 393 HZ3 LYS 49 3HZ LYS 49 2.650 -1.628 17.789 394 H MET 50 H MET 50 -2.770 -0.370 12.409 395 HA MET 50 HA MET 50 -4.387 -0.727 14.787 396 HB2 MET 50 1HB MET 50 -4.663 1.312 12.542 397 HB3 MET 50 2HB MET 50 -5.420 1.404 14.122 398 HG2 MET 50 1HG MET 50 -3.191 1.673 15.158 399 HG3 MET 50 2HG MET 50 -2.458 1.613 13.555 400 HE1 MET 50 1HE MET 50 -3.130 3.386 11.584 401 HE2 MET 50 2HE MET 50 -4.007 4.881 11.891 402 HE3 MET 50 3HE MET 50 -4.867 3.343 11.897 403 H LYS 51 H LYS 51 -4.499 -2.127 11.791 404 HA LYS 51 HA LYS 51 -5.926 -3.401 10.640 405 HB2 LYS 51 1HB LYS 51 -7.932 -2.809 12.838 406 HB3 LYS 51 2HB LYS 51 -8.262 -3.892 11.488 407 HG2 LYS 51 1HG LYS 51 -6.342 -5.319 12.194 408 HG3 LYS 51 2HG LYS 51 -6.109 -4.268 13.596 409 HD2 LYS 51 1HD LYS 51 -8.332 -4.845 14.448 410 HD3 LYS 51 2HD LYS 51 -8.674 -5.800 13.002 411 HE2 LYS 51 1HE LYS 51 -8.095 -7.280 14.838 412 HE3 LYS 51 2HE LYS 51 -6.820 -7.343 13.621 413 HZ1 LYS 51 1HZ LYS 51 -6.750 -5.828 16.170 414 HZ2 LYS 51 2HZ LYS 51 -5.536 -5.801 14.999 415 HZ3 LYS 51 3HZ LYS 51 -5.888 -7.237 15.815 416 H LYS 52 H LYS 52 -5.860 -0.295 10.499 417 HA LYS 52 HA LYS 52 -8.257 0.230 8.933 418 HB2 LYS 52 1HB LYS 52 -5.798 1.908 9.585 419 HB3 LYS 52 2HB LYS 52 -6.942 2.420 8.349 420 HG2 LYS 52 1HG LYS 52 -7.510 3.567 10.368 421 HG3 LYS 52 2HG LYS 52 -8.761 2.358 10.086 422 HD2 LYS 52 1HD LYS 52 -7.687 0.879 11.769 423 HD3 LYS 52 2HD LYS 52 -6.450 2.106 12.043 424 HE2 LYS 52 1HE LYS 52 -8.112 2.223 13.811 425 HE3 LYS 52 2HE LYS 52 -8.213 3.679 12.823 426 HZ1 LYS 52 1HZ LYS 52 -10.013 1.326 12.608 427 HZ2 LYS 52 2HZ LYS 52 -10.128 2.743 11.697 428 HZ3 LYS 52 3HZ LYS 52 -10.395 2.788 13.366 429 H VAL 53 H VAL 53 -8.473 -0.355 6.906 430 HA VAL 53 HA VAL 53 -6.256 -1.148 5.193 431 HB VAL 53 HB VAL 53 -9.250 -0.981 4.578 432 HG11 VAL 53 1HG1 VAL 53 -8.783 -2.474 2.681 433 HG12 VAL 53 2HG1 VAL 53 -7.068 -2.463 3.083 434 HG13 VAL 53 3HG1 VAL 53 -7.851 -0.979 2.540 435 HG21 VAL 53 1HG2 VAL 53 -8.781 -2.556 6.445 436 HG22 VAL 53 2HG2 VAL 53 -7.667 -3.439 5.401 437 HG23 VAL 53 3HG2 VAL 53 -9.384 -3.385 5.009 438 H ILE 54 H ILE 54 -5.118 0.622 4.555 439 HA ILE 54 HA ILE 54 -6.496 2.967 3.378 440 HB ILE 54 HB ILE 54 -3.570 2.692 4.251 441 HG12 ILE 54 1HG1 ILE 54 -5.862 4.175 5.629 442 HG13 ILE 54 2HG1 ILE 54 -5.160 2.663 6.188 443 HG21 ILE 54 1HG2 ILE 54 -5.101 5.159 3.310 444 HG22 ILE 54 2HG2 ILE 54 -3.845 4.315 2.401 445 HG23 ILE 54 3HG2 ILE 54 -3.437 5.150 3.897 446 HD11 ILE 54 1HD1 ILE 54 -3.795 5.345 6.068 447 HD12 ILE 54 2HD1 ILE 54 -3.013 3.833 6.537 448 HD13 ILE 54 3HD1 ILE 54 -4.339 4.479 7.503 449 H CYS 55 H CYS 55 -6.526 3.006 1.188 450 HA CYS 55 HA CYS 55 -4.710 1.223 -0.323 451 HB2 CYS 55 2HB CYS 55 -7.451 2.315 -1.082 452 HB3 CYS 55 1HB CYS 55 -6.467 1.214 -2.052 453 H VAL 56 H VAL 56 -3.390 2.117 -1.784 454 HA VAL 56 HA VAL 56 -3.497 5.022 -2.333 455 HB VAL 56 HB VAL 56 -1.057 5.191 -2.012 456 HG11 VAL 56 1HG1 VAL 56 -2.446 3.999 0.419 457 HG12 VAL 56 2HG1 VAL 56 -2.345 5.705 -0.018 458 HG13 VAL 56 3HG1 VAL 56 -0.894 4.832 0.474 459 HG21 VAL 56 1HG2 VAL 56 -0.428 2.867 -2.630 460 HG22 VAL 56 2HG2 VAL 56 -1.072 2.289 -1.094 461 HG23 VAL 56 3HG2 VAL 56 0.319 3.371 -1.111 462 H ASN 57 H ASN 57 -2.088 5.621 -4.172 463 HA ASN 57 HA ASN 57 -2.317 3.747 -6.410 464 HB2 ASN 57 1HB ASN 57 -1.795 5.693 -7.822 465 HB3 ASN 57 2HB ASN 57 -3.085 6.101 -6.698 466 HD21 ASN 57 1HD2 ASN 57 -0.382 8.767 -6.901 467 HD22 ASN 57 2HD2 ASN 57 -1.178 7.843 -8.125 468 HA PRO 58 HA PRO 58 1.993 2.527 -6.354 469 HB2 PRO 58 2HB PRO 58 2.631 2.203 -9.003 470 HB3 PRO 58 1HB PRO 58 1.514 1.114 -8.155 471 HG2 PRO 58 2HG PRO 58 0.845 3.482 -9.889 472 HG3 PRO 58 1HG PRO 58 0.181 1.835 -9.955 473 HD2 PRO 58 2HD PRO 58 -1.166 3.800 -8.708 474 HD3 PRO 58 1HD PRO 58 -1.143 2.150 -8.031 475 H ARG 59 H ARG 59 1.124 5.436 -8.052 476 HA ARG 59 HA ARG 59 3.733 6.196 -8.955 477 HB2 ARG 59 1HB ARG 59 1.631 6.838 -10.118 478 HB3 ARG 59 2HB ARG 59 1.173 7.838 -8.748 479 HG2 ARG 59 1HG ARG 59 3.035 9.353 -9.161 480 HG3 ARG 59 2HG ARG 59 3.649 8.315 -10.445 481 HD2 ARG 59 1HD ARG 59 1.775 8.846 -11.868 482 HD3 ARG 59 2HD ARG 59 0.929 9.651 -10.543 483 HE ARG 59 HE ARG 59 2.729 11.356 -10.594 484 HH11 ARG 59 1HH1 ARG 59 2.154 9.490 -13.519 485 HH12 ARG 59 2HH1 ARG 59 2.796 10.714 -14.562 486 HH21 ARG 59 1HH2 ARG 59 3.556 12.946 -11.960 487 HH22 ARG 59 2HH2 ARG 59 3.599 12.683 -13.675 488 H ALA 60 H ALA 60 2.164 6.530 -5.894 489 HA ALA 60 HA ALA 60 3.104 8.963 -4.883 490 HB1 ALA 60 1HB ALA 60 2.763 7.944 -2.640 491 HB2 ALA 60 2HB ALA 60 2.598 6.360 -3.402 492 HB3 ALA 60 3HB ALA 60 1.416 7.622 -3.735 493 H LYS 61 H LYS 61 5.087 9.706 -4.235 494 HA LYS 61 HA LYS 61 7.409 8.234 -5.003 495 HB2 LYS 61 1HB LYS 61 7.324 10.600 -5.479 496 HB3 LYS 61 2HB LYS 61 7.001 10.992 -3.799 497 HG2 LYS 61 1HG LYS 61 9.246 11.661 -4.304 498 HG3 LYS 61 2HG LYS 61 9.342 10.260 -3.239 499 HD2 LYS 61 1HD LYS 61 9.957 8.821 -5.118 500 HD3 LYS 61 2HD LYS 61 9.663 10.129 -6.269 501 HE2 LYS 61 1HE LYS 61 11.533 11.403 -5.198 502 HE3 LYS 61 2HE LYS 61 11.842 10.013 -4.154 503 HZ1 LYS 61 1HZ LYS 61 12.286 8.685 -6.134 504 HZ2 LYS 61 2HZ LYS 61 13.314 10.022 -6.050 505 HZ3 LYS 61 3HZ LYS 61 12.009 10.033 -7.118 506 H TRP 62 H TRP 62 6.069 9.238 -1.865 507 HA TRP 62 HA TRP 62 8.168 8.314 -0.211 508 HB2 TRP 62 2HB TRP 62 6.519 8.310 1.630 509 HB3 TRP 62 1HB TRP 62 6.349 9.761 0.651 510 HD1 TRP 62 1HD TRP 62 4.073 10.002 -0.811 511 HE1 TRP 62 1HE TRP 62 1.784 8.860 -0.627 512 HE3 TRP 62 3HE TRP 62 5.325 6.105 2.279 513 HZ2 TRP 62 2HZ TRP 62 0.656 6.640 0.629 514 HZ3 TRP 62 3HZ TRP 62 3.564 4.512 2.917 515 HH2 TRP 62 2HH TRP 62 1.270 4.770 2.111 516 H LEU 63 H LEU 63 5.368 6.717 -1.614 517 HA LEU 63 HA LEU 63 5.648 4.161 -0.455 518 HB2 LEU 63 1HB LEU 63 3.566 4.917 -1.473 519 HB3 LEU 63 2HB LEU 63 4.356 5.076 -3.032 520 HG LEU 63 HG LEU 63 4.757 2.532 -2.939 521 HD11 LEU 63 1HD1 LEU 63 2.732 2.668 -0.703 522 HD12 LEU 63 2HD1 LEU 63 4.403 2.118 -0.586 523 HD13 LEU 63 3HD1 LEU 63 3.240 1.200 -1.539 524 HD21 LEU 63 1HD2 LEU 63 2.548 2.015 -3.815 525 HD22 LEU 63 2HD2 LEU 63 3.124 3.562 -4.418 526 HD23 LEU 63 3HD2 LEU 63 1.909 3.514 -3.145 527 H GLN 64 H GLN 64 6.946 5.663 -3.392 528 HA GLN 64 HA GLN 64 7.888 3.392 -4.724 529 HB2 GLN 64 1HB GLN 64 7.569 5.642 -5.726 530 HB3 GLN 64 2HB GLN 64 8.930 6.262 -4.811 531 HG2 GLN 64 1HG GLN 64 9.314 3.965 -6.730 532 HG3 GLN 64 2HG GLN 64 9.225 5.613 -7.337 533 HE21 GLN 64 1HE2 GLN 64 12.768 4.417 -6.443 534 HE22 GLN 64 2HE2 GLN 64 11.454 3.544 -7.150 535 H ARG 65 H ARG 65 9.404 5.437 -2.255 536 HA ARG 65 HA ARG 65 11.956 4.212 -2.232 537 HB2 ARG 65 1HB ARG 65 10.484 5.762 -0.079 538 HB3 ARG 65 2HB ARG 65 12.157 5.238 0.078 539 HG2 ARG 65 1HG ARG 65 12.729 6.585 -1.953 540 HG3 ARG 65 2HG ARG 65 11.069 7.172 -1.998 541 HD2 ARG 65 1HD ARG 65 13.020 7.593 0.292 542 HD3 ARG 65 2HD ARG 65 12.619 8.793 -0.939 543 HE ARG 65 HE ARG 65 10.263 8.631 -0.064 544 HH11 ARG 65 1HH1 ARG 65 12.996 7.995 2.067 545 HH12 ARG 65 2HH1 ARG 65 12.132 8.445 3.504 546 HH21 ARG 65 1HH2 ARG 65 9.151 9.212 1.813 547 HH22 ARG 65 2HH2 ARG 65 9.944 9.137 3.356 548 H LEU 66 H LEU 66 8.898 3.381 -0.676 549 HA LEU 66 HA LEU 66 9.934 1.287 0.999 550 HB2 LEU 66 1HB LEU 66 7.076 1.794 0.082 551 HB3 LEU 66 2HB LEU 66 7.545 0.650 1.327 552 HG LEU 66 HG LEU 66 7.847 3.675 1.515 553 HD11 LEU 66 1HD1 LEU 66 6.077 3.570 3.201 554 HD12 LEU 66 2HD1 LEU 66 5.936 1.825 2.975 555 HD13 LEU 66 3HD1 LEU 66 5.501 2.922 1.666 556 HD21 LEU 66 1HD2 LEU 66 8.572 1.496 3.506 557 HD22 LEU 66 2HD2 LEU 66 8.411 3.197 3.929 558 HD23 LEU 66 3HD2 LEU 66 9.646 2.702 2.788 559 H LEU 67 H LEU 67 8.479 1.442 -2.220 560 HA LEU 67 HA LEU 67 8.352 -1.371 -2.708 561 HB2 LEU 67 1HB LEU 67 8.471 0.914 -4.714 562 HB3 LEU 67 2HB LEU 67 8.028 -0.742 -5.087 563 HG LEU 67 HG LEU 67 6.429 1.167 -3.334 564 HD11 LEU 67 1HD1 LEU 67 5.829 0.120 -6.118 565 HD12 LEU 67 2HD1 LEU 67 6.304 1.768 -5.700 566 HD13 LEU 67 3HD1 LEU 67 4.761 1.130 -5.139 567 HD21 LEU 67 1HD2 LEU 67 4.673 -0.579 -3.304 568 HD22 LEU 67 2HD2 LEU 67 6.147 -1.120 -2.509 569 HD23 LEU 67 3HD2 LEU 67 5.766 -1.691 -4.134 570 H ARG 68 H ARG 68 10.865 1.013 -2.907 571 HA ARG 68 HA ARG 68 12.749 -0.740 -4.246 572 HB2 ARG 68 1HB ARG 68 12.911 1.634 -4.700 573 HB3 ARG 68 2HB ARG 68 12.997 2.011 -2.987 574 HG2 ARG 68 1HG ARG 68 15.179 2.304 -4.026 575 HG3 ARG 68 2HG ARG 68 15.238 0.984 -2.862 576 HD2 ARG 68 1HD ARG 68 15.025 -0.634 -4.804 577 HD3 ARG 68 2HD ARG 68 15.151 0.748 -5.896 578 HE ARG 68 HE ARG 68 17.385 1.056 -5.233 579 HH11 ARG 68 1HH1 ARG 68 15.997 -1.813 -3.747 580 HH12 ARG 68 2HH1 ARG 68 17.543 -2.484 -3.334 581 HH21 ARG 68 1HH2 ARG 68 19.377 0.193 -4.656 582 HH22 ARG 68 2HH2 ARG 68 19.458 -1.344 -3.852 583 H HIS 69 H HIS 69 11.946 0.195 -0.918 584 HA HIS 69 HA HIS 69 14.313 -0.898 0.288 585 HB2 HIS 69 1HB HIS 69 12.916 0.883 1.370 586 HB3 HIS 69 2HB HIS 69 11.650 -0.307 1.645 587 HD1 HIS 69 HD1 HIS 69 11.989 -1.982 3.571 588 HD2 HIS 69 HD2 HIS 69 15.232 0.563 3.038 589 HE1 HIS 69 HE1 HIS 69 13.479 -2.363 5.551 590 HE2 HIS 69 HE2 HIS 69 15.492 -0.922 5.135 591 H VAL 70 H VAL 70 11.190 -2.284 -0.616 592 HA VAL 70 HA VAL 70 11.525 -4.736 0.867 593 HB VAL 70 HB VAL 70 9.728 -5.696 -0.510 594 HG11 VAL 70 1HG1 VAL 70 9.084 -4.274 1.390 595 HG12 VAL 70 2HG1 VAL 70 7.907 -4.141 0.085 596 HG13 VAL 70 3HG1 VAL 70 9.082 -2.851 0.346 597 HG21 VAL 70 1HG2 VAL 70 8.619 -4.381 -2.304 598 HG22 VAL 70 2HG2 VAL 70 10.285 -4.786 -2.713 599 HG23 VAL 70 3HG2 VAL 70 9.882 -3.157 -2.177 600 H GLN 71 H GLN 71 12.986 -3.479 -1.941 601 HA GLN 71 HA GLN 71 14.063 -6.048 -2.869 602 HB2 GLN 71 1HB GLN 71 14.765 -3.231 -3.814 603 HB3 GLN 71 2HB GLN 71 15.129 -4.742 -4.630 604 HG2 GLN 71 1HG GLN 71 12.325 -3.684 -4.203 605 HG3 GLN 71 2HG GLN 71 13.272 -3.427 -5.663 606 HE21 GLN 71 1HE2 GLN 71 11.526 -6.183 -6.925 607 HE22 GLN 71 2HE2 GLN 71 11.803 -4.479 -6.972 608 H SER 72 H SER 72 16.413 -6.365 -2.912 609 HA SER 72 HA SER 72 17.672 -5.720 -0.431 610 HB2 SER 72 1HB SER 72 18.055 -7.882 -1.623 611 HB3 SER 72 2HB SER 72 18.904 -7.011 -2.905 612 HG SER 72 HG SER 72 19.775 -7.777 -0.420 613 H LYS 73 H LYS 73 19.303 -4.287 0.014 614 HA LYS 73 HA LYS 73 20.461 -2.530 -2.013 615 HB2 LYS 73 1HB LYS 73 19.705 -0.474 -0.675 616 HB3 LYS 73 2HB LYS 73 18.448 -1.287 -1.599 617 HG2 LYS 73 1HG LYS 73 17.540 -2.324 0.383 618 HG3 LYS 73 2HG LYS 73 18.877 -1.749 1.377 619 HD2 LYS 73 1HD LYS 73 16.916 0.100 -0.036 620 HD3 LYS 73 2HD LYS 73 16.707 -0.456 1.625 621 HE2 LYS 73 1HE LYS 73 18.728 0.669 2.332 622 HE3 LYS 73 2HE LYS 73 19.158 1.054 0.663 623 HZ1 LYS 73 1HZ LYS 73 18.236 2.965 1.754 624 HZ2 LYS 73 2HZ LYS 73 16.831 2.125 2.163 625 HZ3 LYS 73 3HZ LYS 73 17.176 2.457 0.541 626 H SER 74 H SER 74 22.385 -1.653 -1.348 627 HA SER 74 HA SER 74 23.669 -2.825 0.937 628 HB2 SER 74 1HB SER 74 24.687 -0.723 -1.024 629 HB3 SER 74 2HB SER 74 25.670 -1.573 0.167 630 HG SER 74 HG SER 74 25.234 -3.507 -0.889 631 H LEU 75 H LEU 75 22.766 -2.071 2.815 632 HA LEU 75 HA LEU 75 22.127 0.557 3.552 633 HB2 LEU 75 1HB LEU 75 22.213 -0.160 5.881 634 HB3 LEU 75 2HB LEU 75 21.422 -1.374 4.905 635 HG LEU 75 HG LEU 75 24.296 -1.628 5.909 636 HD11 LEU 75 1HD1 LEU 75 21.781 -2.878 7.069 637 HD12 LEU 75 2HD1 LEU 75 22.733 -1.589 7.808 638 HD13 LEU 75 3HD1 LEU 75 23.437 -3.190 7.600 639 HD21 LEU 75 1HD2 LEU 75 24.093 -4.013 5.329 640 HD22 LEU 75 2HD2 LEU 75 23.858 -3.002 3.905 641 HD23 LEU 75 3HD2 LEU 75 22.464 -3.735 4.701 642 H SER 76 H SER 76 23.278 2.249 4.469 643 HA SER 76 HA SER 76 26.008 2.455 3.606 644 HB2 SER 76 1HB SER 76 25.723 4.849 4.556 645 HB3 SER 76 2HB SER 76 24.665 4.376 3.226 646 HG SER 76 HG SER 76 23.498 5.405 4.870 647 H SER 77 H SER 77 27.796 2.060 4.737 648 HA SER 77 HA SER 77 27.729 1.106 7.436 649 HB2 SER 77 1HB SER 77 30.210 0.837 7.122 650 HB3 SER 77 2HB SER 77 29.267 0.105 5.819 651 HG SER 77 HG SER 77 31.084 2.138 5.723 652 H THR 78 H THR 78 28.117 2.169 9.289 653 HA THR 78 HA THR 78 28.372 5.037 9.297 654 HB THR 78 HB THR 78 28.084 4.803 11.773 655 HG1 THR 78 1HG THR 78 27.523 2.522 12.407 656 HG21 THR 78 1HG2 THR 78 26.096 3.173 10.139 657 HG22 THR 78 2HG2 THR 78 26.058 4.923 10.372 658 HG23 THR 78 3HG2 THR 78 25.795 3.846 11.743 659 HA PRO 79 HA PRO 79 32.932 4.726 9.837 660 HB2 PRO 79 2HB PRO 79 33.469 7.426 9.937 661 HB3 PRO 79 1HB PRO 79 33.153 6.573 8.415 662 HG2 PRO 79 2HG PRO 79 31.258 8.213 10.069 663 HG3 PRO 79 1HG PRO 79 31.515 8.229 8.308 664 HD2 PRO 79 2HD PRO 79 29.438 6.892 9.418 665 HD3 PRO 79 1HD PRO 79 30.269 6.280 7.967 666 H GLN 80 H GLN 80 34.437 5.228 11.538 667 HA GLN 80 HA GLN 80 33.211 5.486 14.181 668 HB2 GLN 80 1HB GLN 80 36.103 4.882 13.393 669 HB3 GLN 80 2HB GLN 80 35.466 4.851 15.036 670 HG2 GLN 80 1HG GLN 80 33.888 3.034 14.348 671 HG3 GLN 80 2HG GLN 80 34.641 3.024 12.762 672 HE21 GLN 80 1HE2 GLN 80 36.439 1.188 15.912 673 HE22 GLN 80 2HE2 GLN 80 35.053 2.199 16.132 674 H ALA 81 H ALA 81 34.229 6.867 15.813 675 HA ALA 81 HA ALA 81 35.535 9.338 14.808 676 HB1 ALA 81 1HB ALA 81 34.345 10.568 16.599 677 HB2 ALA 81 2HB ALA 81 33.501 9.088 17.063 678 HB3 ALA 81 3HB ALA 81 33.210 9.810 15.480 679 HA PRO 82 HA PRO 82 38.170 6.923 17.814 680 HB2 PRO 82 2HB PRO 82 40.562 7.087 16.500 681 HB3 PRO 82 1HB PRO 82 39.300 5.937 16.016 682 HG2 PRO 82 2HG PRO 82 39.978 8.591 14.798 683 HG3 PRO 82 1HG PRO 82 39.607 7.049 13.995 684 HD2 PRO 82 2HD PRO 82 37.749 9.047 14.303 685 HD3 PRO 82 1HD PRO 82 37.317 7.326 14.216 686 H VAL 83 H VAL 83 39.637 7.597 19.397 687 HA VAL 83 HA VAL 83 40.122 10.492 19.632 688 HB VAL 83 HB VAL 83 40.445 8.275 21.714 689 HG11 VAL 83 1HG1 VAL 83 41.960 10.168 22.164 690 HG12 VAL 83 2HG1 VAL 83 40.676 10.096 23.368 691 HG13 VAL 83 3HG1 VAL 83 40.603 11.295 22.076 692 HG21 VAL 83 1HG2 VAL 83 38.079 8.607 21.130 693 HG22 VAL 83 2HG2 VAL 83 38.227 10.342 21.417 694 HG23 VAL 83 3HG2 VAL 83 38.397 9.208 22.759 695 H SER 84 H SER 84 42.089 11.276 19.138 696 HA SER 84 HA SER 84 44.312 9.451 18.545 697 HB2 SER 84 1HB SER 84 45.262 11.571 17.425 698 HB3 SER 84 2HB SER 84 43.806 10.885 16.707 699 HG SER 84 HG SER 84 42.658 12.550 17.356 700 H LYS 85 H LYS 85 44.121 12.777 19.936 701 HA LYS 85 HA LYS 85 45.780 12.346 22.193 702 HB2 LYS 85 1HB LYS 85 47.523 11.802 20.530 703 HB3 LYS 85 2HB LYS 85 47.199 13.287 19.650 704 HG2 LYS 85 1HG LYS 85 47.987 14.572 21.664 705 HG3 LYS 85 2HG LYS 85 48.460 13.036 22.396 706 HD2 LYS 85 1HD LYS 85 50.037 12.617 20.559 707 HD3 LYS 85 2HD LYS 85 49.512 14.089 19.740 708 HE2 LYS 85 1HE LYS 85 50.485 15.482 21.426 709 HE3 LYS 85 2HE LYS 85 50.753 14.111 22.505 710 HZ1 LYS 85 1HZ LYS 85 52.784 14.819 21.410 711 HZ2 LYS 85 2HZ LYS 85 52.101 14.533 19.895 712 HZ3 LYS 85 3HZ LYS 85 52.376 13.245 20.954 713 H ARG 86 H ARG 86 46.014 14.298 23.390 714 HA ARG 86 HA ARG 86 44.677 16.713 22.414 715 HB2 ARG 86 1HB ARG 86 45.084 17.606 24.694 716 HB3 ARG 86 2HB ARG 86 44.297 16.036 24.751 717 HG2 ARG 86 1HG ARG 86 46.402 14.947 25.350 718 HG3 ARG 86 2HG ARG 86 47.270 16.472 25.187 719 HD2 ARG 86 1HD ARG 86 45.968 17.405 27.079 720 HD3 ARG 86 2HD ARG 86 45.115 15.865 27.243 721 HE ARG 86 HE ARG 86 47.617 15.023 27.482 722 HH11 ARG 86 1HH1 ARG 86 46.131 17.805 29.062 723 HH12 ARG 86 2HH1 ARG 86 47.171 17.705 30.446 724 HH21 ARG 86 1HH2 ARG 86 48.926 14.901 29.289 725 HH22 ARG 86 2HH2 ARG 86 48.757 16.055 30.575 726 H ARG 87 H ARG 87 45.703 18.735 22.152 727 HA ARG 87 HA ARG 87 48.408 18.690 21.170 728 HB2 ARG 87 1HB ARG 87 46.647 20.075 20.116 729 HB3 ARG 87 2HB ARG 87 46.493 21.027 21.588 730 HG2 ARG 87 1HG ARG 87 48.877 21.764 21.291 731 HG3 ARG 87 2HG ARG 87 48.913 20.901 19.753 732 HD2 ARG 87 1HD ARG 87 47.067 23.211 20.447 733 HD3 ARG 87 2HD ARG 87 48.504 23.315 19.434 734 HE ARG 87 HE ARG 87 46.066 21.781 18.738 735 HH11 ARG 87 1HH1 ARG 87 48.817 23.708 17.692 736 HH12 ARG 87 2HH1 ARG 87 48.358 23.666 16.020 737 HH21 ARG 87 1HH2 ARG 87 45.488 21.723 16.555 738 HH22 ARG 87 2HH2 ARG 87 46.466 22.536 15.372 739 H ALA 88 H ALA 88 49.955 18.435 22.728 740 HA ALA 88 HA ALA 88 50.158 20.455 24.887 741 HB1 ALA 88 1HB ALA 88 51.008 18.711 26.418 742 HB2 ALA 88 2HB ALA 88 50.751 17.477 25.181 743 HB3 ALA 88 3HB ALA 88 49.373 18.329 25.876 744 H ALA 89 H ALA 89 51.675 21.664 23.814 745 HA ALA 89 HA ALA 89 54.278 20.389 23.154 746 HB1 ALA 89 1HB ALA 89 54.697 22.287 21.647 747 HB2 ALA 89 2HB ALA 89 53.121 22.974 22.047 748 HB3 ALA 89 3HB ALA 89 53.221 21.431 21.200 Start of MODEL 2 1 H1 MET 1 1H MET 1 6.435 -7.398 8.398 2 H2 MET 1 2H MET 1 6.869 -5.911 9.065 3 H3 MET 1 3H MET 1 7.925 -6.698 8.008 4 HA MET 1 HA MET 1 5.261 -5.632 7.313 5 HB2 MET 1 1HB MET 1 8.041 -4.628 6.546 6 HB3 MET 1 2HB MET 1 6.523 -3.954 5.966 7 HG2 MET 1 1HG MET 1 5.950 -3.247 8.246 8 HG3 MET 1 2HG MET 1 7.439 -3.970 8.850 9 HE1 MET 1 1HE MET 1 7.287 -0.242 6.131 10 HE2 MET 1 2HE MET 1 5.852 -1.086 6.718 11 HE3 MET 1 3HE MET 1 6.902 -1.851 5.523 12 H ILE 2 H ILE 2 4.460 -7.314 6.131 13 HA ILE 2 HA ILE 2 6.200 -8.810 4.297 14 HB ILE 2 HB ILE 2 3.292 -9.356 5.071 15 HG12 ILE 2 1HG1 ILE 2 4.410 -11.460 6.183 16 HG13 ILE 2 2HG1 ILE 2 5.903 -10.540 6.092 17 HG21 ILE 2 1HG2 ILE 2 5.181 -11.058 3.404 18 HG22 ILE 2 2HG2 ILE 2 3.756 -10.201 2.813 19 HG23 ILE 2 3HG2 ILE 2 3.571 -11.548 3.936 20 HD11 ILE 2 1HD1 ILE 2 4.939 -8.818 7.523 21 HD12 ILE 2 2HD1 ILE 2 4.857 -10.405 8.290 22 HD13 ILE 2 3HD1 ILE 2 3.411 -9.700 7.569 23 H LEU 3 H LEU 3 6.190 -8.437 2.135 24 HA LEU 3 HA LEU 3 4.271 -6.591 0.945 25 HB2 LEU 3 1HB LEU 3 6.645 -6.436 0.304 26 HB3 LEU 3 2HB LEU 3 6.653 -8.111 -0.221 27 HG LEU 3 HG LEU 3 5.045 -7.501 -2.066 28 HD11 LEU 3 1HD1 LEU 3 5.483 -4.652 -1.137 29 HD12 LEU 3 2HD1 LEU 3 3.960 -5.546 -1.157 30 HD13 LEU 3 3HD1 LEU 3 4.742 -5.121 -2.670 31 HD21 LEU 3 1HD2 LEU 3 6.703 -6.387 -3.497 32 HD22 LEU 3 2HD2 LEU 3 7.445 -7.646 -2.513 33 HD23 LEU 3 3HD2 LEU 3 7.651 -5.950 -2.072 34 H GLU 4 H GLU 4 2.332 -7.484 0.647 35 HA GLU 4 HA GLU 4 1.881 -10.228 -0.242 36 HB2 GLU 4 1HB GLU 4 0.044 -7.879 0.423 37 HB3 GLU 4 2HB GLU 4 -0.561 -9.401 -0.201 38 HG2 GLU 4 1HG GLU 4 1.027 -9.134 2.356 39 HG3 GLU 4 2HG GLU 4 -0.733 -9.135 2.282 40 H ALA 5 H ALA 5 2.127 -10.684 -2.352 41 HA ALA 5 HA ALA 5 1.412 -8.706 -4.442 42 HB1 ALA 5 1HB ALA 5 3.656 -9.694 -4.609 43 HB2 ALA 5 2HB ALA 5 2.657 -10.211 -5.964 44 HB3 ALA 5 3HB ALA 5 2.966 -11.320 -4.627 45 H HIS 6 H HIS 6 -0.700 -8.868 -5.028 46 HA HIS 6 HA HIS 6 -1.919 -11.569 -5.306 47 HB2 HIS 6 1HB HIS 6 -3.246 -9.003 -4.332 48 HB3 HIS 6 2HB HIS 6 -4.145 -10.437 -4.809 49 HD1 HIS 6 HD1 HIS 6 -5.054 -11.336 -2.670 50 HD2 HIS 6 HD2 HIS 6 -1.070 -10.221 -2.265 51 HE1 HIS 6 HE1 HIS 6 -4.391 -12.005 -0.346 52 HE2 HIS 6 HE2 HIS 6 -1.947 -11.501 -0.202 53 H TYR 7 H TYR 7 -1.453 -11.747 -7.464 54 HA TYR 7 HA TYR 7 -2.488 -9.816 -9.387 55 HB2 TYR 7 2HB TYR 7 -1.530 -11.224 -11.109 56 HB3 TYR 7 1HB TYR 7 -0.342 -11.039 -9.828 57 HD1 TYR 7 1HD TYR 7 -0.088 -12.997 -8.128 58 HD2 TYR 7 2HD TYR 7 -2.138 -13.406 -11.861 59 HE1 TYR 7 1HE TYR 7 0.183 -15.440 -8.017 60 HE2 TYR 7 2HE TYR 7 -1.872 -15.844 -11.740 61 HH TYR 7 HH TYR 7 -0.281 -17.462 -10.629 62 H THR 8 H THR 8 -3.323 -12.879 -7.964 63 HA THR 8 HA THR 8 -5.923 -12.926 -9.345 64 HB THR 8 HB THR 8 -4.648 -14.959 -7.430 65 HG1 THR 8 1HG THR 8 -4.583 -14.588 -10.185 66 HG21 THR 8 1HG2 THR 8 -6.451 -16.478 -8.161 67 HG22 THR 8 2HG2 THR 8 -7.179 -15.183 -9.113 68 HG23 THR 8 3HG2 THR 8 -7.120 -15.062 -7.351 69 H ASN 9 H ASN 9 -7.552 -11.947 -8.386 70 HA ASN 9 HA ASN 9 -7.882 -11.781 -5.501 71 HB2 ASN 9 1HB ASN 9 -6.487 -9.782 -6.026 72 HB3 ASN 9 2HB ASN 9 -7.605 -9.303 -7.293 73 HD21 ASN 9 1HD2 ASN 9 -8.862 -7.065 -4.888 74 HD22 ASN 9 2HD2 ASN 9 -8.002 -7.292 -6.371 75 H LEU 10 H LEU 10 -9.866 -9.474 -7.010 76 HA LEU 10 HA LEU 10 -11.534 -10.914 -8.707 77 HB2 LEU 10 1HB LEU 10 -13.625 -11.129 -7.452 78 HB3 LEU 10 2HB LEU 10 -12.385 -12.132 -6.741 79 HG LEU 10 HG LEU 10 -13.239 -9.460 -5.541 80 HD11 LEU 10 1HD1 LEU 10 -14.587 -10.750 -3.928 81 HD12 LEU 10 2HD1 LEU 10 -14.255 -12.235 -4.826 82 HD13 LEU 10 3HD1 LEU 10 -15.181 -10.933 -5.576 83 HD21 LEU 10 1HD2 LEU 10 -11.743 -11.786 -4.284 84 HD22 LEU 10 2HD2 LEU 10 -12.198 -10.277 -3.485 85 HD23 LEU 10 3HD2 LEU 10 -11.021 -10.261 -4.793 86 H LYS 11 H LYS 11 -11.761 -8.447 -6.154 87 HA LYS 11 HA LYS 11 -11.693 -6.269 -8.014 88 HB2 LYS 11 1HB LYS 11 -13.822 -5.220 -7.087 89 HB3 LYS 11 2HB LYS 11 -14.084 -6.610 -8.128 90 HG2 LYS 11 1HG LYS 11 -14.446 -8.042 -6.144 91 HG3 LYS 11 2HG LYS 11 -14.196 -6.642 -5.098 92 HD2 LYS 11 1HD LYS 11 -16.191 -5.554 -5.976 93 HD3 LYS 11 2HD LYS 11 -16.393 -6.816 -7.197 94 HE2 LYS 11 1HE LYS 11 -17.963 -7.127 -5.334 95 HE3 LYS 11 2HE LYS 11 -16.836 -8.476 -5.436 96 HZ1 LYS 11 1HZ LYS 11 -16.669 -6.205 -3.521 97 HZ2 LYS 11 2HZ LYS 11 -15.568 -7.482 -3.621 98 HZ3 LYS 11 3HZ LYS 11 -17.164 -7.782 -3.157 99 H CYS 12 H CYS 12 -10.774 -4.500 -6.984 100 HA CYS 12 HA CYS 12 -9.491 -5.002 -4.465 101 HB2 CYS 12 2HB CYS 12 -9.481 -2.600 -6.320 102 HB3 CYS 12 1HB CYS 12 -8.524 -2.694 -4.845 103 H ARG 13 H ARG 13 -10.698 -4.892 -2.647 104 HA ARG 13 HA ARG 13 -12.999 -3.125 -2.451 105 HB2 ARG 13 1HB ARG 13 -13.408 -4.259 -0.227 106 HB3 ARG 13 2HB ARG 13 -13.467 -5.310 -1.631 107 HG2 ARG 13 1HG ARG 13 -11.553 -6.491 -1.013 108 HG3 ARG 13 2HG ARG 13 -10.888 -5.153 -0.066 109 HD2 ARG 13 1HD ARG 13 -13.292 -6.853 0.732 110 HD3 ARG 13 2HD ARG 13 -11.649 -7.033 1.359 111 HE ARG 13 HE ARG 13 -12.600 -4.370 1.711 112 HH11 ARG 13 1HH1 ARG 13 -12.871 -7.591 3.157 113 HH12 ARG 13 2HH1 ARG 13 -13.269 -6.966 4.723 114 HH21 ARG 13 1HH2 ARG 13 -13.087 -3.590 3.761 115 HH22 ARG 13 2HH2 ARG 13 -13.389 -4.694 5.066 116 H CYS 14 H CYS 14 -12.020 -1.104 -2.397 117 HA CYS 14 HA CYS 14 -11.266 -0.282 0.340 118 HB2 CYS 14 2HB CYS 14 -9.178 -0.298 -1.025 119 HB3 CYS 14 1HB CYS 14 -9.930 0.798 -2.182 120 H SER 15 H SER 15 -11.834 1.964 0.810 121 HA SER 15 HA SER 15 -14.332 2.795 -0.395 122 HB2 SER 15 1HB SER 15 -13.953 2.926 2.059 123 HB3 SER 15 2HB SER 15 -12.673 4.113 1.803 124 HG SER 15 HG SER 15 -14.631 5.187 0.562 125 H GLY 16 H GLY 16 -10.982 3.615 -0.753 126 HA2 GLY 16 1HA GLY 16 -10.993 4.925 -3.109 127 HA3 GLY 16 2HA GLY 16 -11.365 6.226 -1.970 128 H VAL 17 H VAL 17 -9.003 6.323 -3.452 129 HA VAL 17 HA VAL 17 -6.869 5.171 -1.751 130 HB VAL 17 HB VAL 17 -5.335 5.503 -3.646 131 HG11 VAL 17 1HG1 VAL 17 -7.872 4.071 -4.506 132 HG12 VAL 17 2HG1 VAL 17 -6.560 3.389 -3.542 133 HG13 VAL 17 3HG1 VAL 17 -6.271 3.848 -5.219 134 HG21 VAL 17 1HG2 VAL 17 -6.103 6.259 -5.878 135 HG22 VAL 17 2HG2 VAL 17 -6.268 7.529 -4.666 136 HG23 VAL 17 3HG2 VAL 17 -7.692 6.639 -5.199 137 H ILE 18 H ILE 18 -5.364 6.440 -0.777 138 HA ILE 18 HA ILE 18 -5.958 9.343 -0.667 139 HB ILE 18 HB ILE 18 -4.584 7.796 1.582 140 HG12 ILE 18 1HG1 ILE 18 -7.618 8.113 1.279 141 HG13 ILE 18 2HG1 ILE 18 -6.737 6.606 1.094 142 HG21 ILE 18 1HG2 ILE 18 -6.286 10.322 1.568 143 HG22 ILE 18 2HG2 ILE 18 -4.523 10.266 1.657 144 HG23 ILE 18 3HG2 ILE 18 -5.492 9.618 2.976 145 HD11 ILE 18 1HD1 ILE 18 -7.029 8.198 3.639 146 HD12 ILE 18 2HD1 ILE 18 -6.055 6.736 3.461 147 HD13 ILE 18 3HD1 ILE 18 -7.801 6.665 3.237 148 H SER 19 H SER 19 -4.288 10.742 -1.058 149 HA SER 19 HA SER 19 -1.740 9.702 -2.007 150 HB2 SER 19 1HB SER 19 -1.422 12.145 -2.698 151 HB3 SER 19 2HB SER 19 -2.809 11.332 -3.424 152 HG SER 19 HG SER 19 -2.720 13.372 -1.529 153 H THR 20 H THR 20 -2.414 9.778 0.943 154 HA THR 20 HA THR 20 -0.482 11.648 2.089 155 HB THR 20 HB THR 20 -1.235 10.583 4.288 156 HG1 THR 20 1HG THR 20 -1.970 8.604 3.202 157 HG21 THR 20 1HG2 THR 20 -3.446 11.674 4.313 158 HG22 THR 20 2HG2 THR 20 -3.438 11.753 2.552 159 HG23 THR 20 3HG2 THR 20 -2.261 12.686 3.482 160 H VAL 21 H VAL 21 1.261 10.962 3.396 161 HA VAL 21 HA VAL 21 2.605 8.500 2.606 162 HB VAL 21 HB VAL 21 3.505 10.676 4.566 163 HG11 VAL 21 1HG1 VAL 21 5.087 8.397 3.320 164 HG12 VAL 21 2HG1 VAL 21 4.646 8.560 5.019 165 HG13 VAL 21 3HG1 VAL 21 5.779 9.699 4.290 166 HG21 VAL 21 1HG2 VAL 21 3.255 11.619 2.331 167 HG22 VAL 21 2HG2 VAL 21 4.192 10.304 1.632 168 HG23 VAL 21 3HG2 VAL 21 4.974 11.465 2.704 169 H VAL 22 H VAL 22 1.962 6.699 3.604 170 HA VAL 22 HA VAL 22 0.934 6.680 6.338 171 HB VAL 22 HB VAL 22 1.331 4.286 4.482 172 HG11 VAL 22 1HG1 VAL 22 -0.411 3.205 5.840 173 HG12 VAL 22 2HG1 VAL 22 -0.525 4.644 6.853 174 HG13 VAL 22 3HG1 VAL 22 0.960 3.693 6.842 175 HG21 VAL 22 1HG2 VAL 22 -1.147 6.027 4.697 176 HG22 VAL 22 2HG2 VAL 22 -1.010 4.538 3.760 177 HG23 VAL 22 3HG2 VAL 22 -0.055 5.952 3.311 178 H GLY 23 H GLY 23 2.154 6.053 8.088 179 HA2 GLY 23 1HA GLY 23 4.992 6.128 7.835 180 HA3 GLY 23 2HA GLY 23 4.085 5.892 9.322 181 H LEU 24 H LEU 24 6.512 4.538 7.954 182 HA LEU 24 HA LEU 24 5.838 1.890 7.240 183 HB2 LEU 24 1HB LEU 24 8.431 3.190 8.087 184 HB3 LEU 24 2HB LEU 24 8.358 1.450 7.866 185 HG LEU 24 HG LEU 24 7.673 1.797 5.485 186 HD11 LEU 24 1HD1 LEU 24 6.610 3.968 5.584 187 HD12 LEU 24 2HD1 LEU 24 7.926 3.996 4.413 188 HD13 LEU 24 3HD1 LEU 24 8.142 4.739 5.999 189 HD21 LEU 24 1HD2 LEU 24 9.889 2.505 4.659 190 HD22 LEU 24 2HD2 LEU 24 10.015 1.390 6.016 191 HD23 LEU 24 3HD2 LEU 24 10.291 3.115 6.267 192 H ASN 25 H ASN 25 6.458 3.340 10.358 193 HA ASN 25 HA ASN 25 6.720 0.977 11.911 194 HB2 ASN 25 1HB ASN 25 6.365 2.452 13.860 195 HB3 ASN 25 2HB ASN 25 7.502 3.161 12.725 196 HD21 ASN 25 1HD2 ASN 25 4.909 5.634 13.980 197 HD22 ASN 25 2HD2 ASN 25 5.804 4.406 14.805 198 H ILE 26 H ILE 26 3.895 2.714 10.691 199 HA ILE 26 HA ILE 26 2.087 1.151 12.415 200 HB ILE 26 HB ILE 26 0.261 2.578 11.766 201 HG12 ILE 26 1HG1 ILE 26 2.123 3.969 9.778 202 HG13 ILE 26 2HG1 ILE 26 0.819 2.871 9.354 203 HG21 ILE 26 1HG2 ILE 26 1.024 4.768 12.603 204 HG22 ILE 26 2HG2 ILE 26 2.702 4.317 12.295 205 HG23 ILE 26 3HG2 ILE 26 1.768 3.455 13.518 206 HD11 ILE 26 1HD1 ILE 26 -0.812 4.444 10.249 207 HD12 ILE 26 2HD1 ILE 26 0.183 5.176 8.993 208 HD13 ILE 26 3HD1 ILE 26 0.487 5.556 10.688 209 H ILE 27 H ILE 27 3.291 1.232 9.146 210 HA ILE 27 HA ILE 27 1.226 -0.284 7.875 211 HB ILE 27 HB ILE 27 4.177 0.035 7.134 212 HG12 ILE 27 1HG1 ILE 27 1.690 1.360 5.972 213 HG13 ILE 27 2HG1 ILE 27 2.840 2.126 7.053 214 HG21 ILE 27 1HG2 ILE 27 3.348 -2.058 6.138 215 HG22 ILE 27 2HG2 ILE 27 3.595 -0.846 4.883 216 HG23 ILE 27 3HG2 ILE 27 1.964 -1.208 5.449 217 HD11 ILE 27 1HD1 ILE 27 3.419 1.168 4.255 218 HD12 ILE 27 2HD1 ILE 27 4.591 1.892 5.362 219 HD13 ILE 27 3HD1 ILE 27 3.215 2.836 4.792 220 H ASP 28 H ASP 28 0.908 -2.455 7.707 221 HA ASP 28 HA ASP 28 2.731 -4.321 9.134 222 HB2 ASP 28 1HB ASP 28 0.433 -4.236 10.019 223 HB3 ASP 28 2HB ASP 28 -0.219 -4.622 8.434 224 H ARG 29 H ARG 29 0.578 -4.119 6.252 225 HA ARG 29 HA ARG 29 2.472 -5.728 4.686 226 HB2 ARG 29 1HB ARG 29 -0.432 -6.523 5.158 227 HB3 ARG 29 2HB ARG 29 0.536 -7.172 3.838 228 HG2 ARG 29 1HG ARG 29 2.083 -8.198 5.432 229 HG3 ARG 29 2HG ARG 29 1.204 -7.478 6.780 230 HD2 ARG 29 1HD ARG 29 0.060 -9.507 4.836 231 HD3 ARG 29 2HD ARG 29 0.657 -9.864 6.459 232 HE ARG 29 HE ARG 29 -1.257 -7.882 6.743 233 HH11 ARG 29 1HH1 ARG 29 -1.165 -11.243 5.683 234 HH12 ARG 29 2HH1 ARG 29 -2.800 -11.561 6.160 235 HH21 ARG 29 1HH2 ARG 29 -3.415 -8.299 7.349 236 HH22 ARG 29 2HH2 ARG 29 -4.083 -9.883 7.106 237 H ILE 30 H ILE 30 2.418 -5.398 2.508 238 HA ILE 30 HA ILE 30 0.725 -3.140 1.514 239 HB ILE 30 HB ILE 30 3.528 -3.964 0.569 240 HG12 ILE 30 1HG1 ILE 30 4.022 -1.472 1.404 241 HG13 ILE 30 2HG1 ILE 30 2.638 -1.762 2.445 242 HG21 ILE 30 1HG2 ILE 30 3.471 -1.932 -0.850 243 HG22 ILE 30 2HG2 ILE 30 1.802 -1.642 -0.369 244 HG23 ILE 30 3HG2 ILE 30 2.211 -3.084 -1.298 245 HD11 ILE 30 1HD1 ILE 30 5.135 -3.460 2.370 246 HD12 ILE 30 2HD1 ILE 30 3.778 -3.632 3.486 247 HD13 ILE 30 3HD1 ILE 30 4.790 -2.191 3.546 248 H GLN 31 H GLN 31 -0.847 -3.983 0.165 249 HA GLN 31 HA GLN 31 -0.283 -6.451 -1.357 250 HB2 GLN 31 1HB GLN 31 -2.433 -6.294 -0.023 251 HB3 GLN 31 2HB GLN 31 -2.958 -5.008 -1.102 252 HG2 GLN 31 1HG GLN 31 -2.648 -6.676 -3.017 253 HG3 GLN 31 2HG GLN 31 -2.448 -7.915 -1.782 254 HE21 GLN 31 1HE2 GLN 31 -6.035 -6.971 -0.798 255 HE22 GLN 31 2HE2 GLN 31 -4.551 -6.493 -0.065 256 H VAL 32 H VAL 32 0.781 -5.924 -3.170 257 HA VAL 32 HA VAL 32 -0.162 -3.754 -4.901 258 HB VAL 32 HB VAL 32 1.742 -4.394 -6.414 259 HG11 VAL 32 1HG1 VAL 32 3.550 -3.531 -4.958 260 HG12 VAL 32 2HG1 VAL 32 2.559 -3.844 -3.531 261 HG13 VAL 32 3HG1 VAL 32 2.044 -2.646 -4.717 262 HG21 VAL 32 1HG2 VAL 32 1.953 -6.803 -5.828 263 HG22 VAL 32 2HG2 VAL 32 2.585 -6.363 -4.243 264 HG23 VAL 32 3HG2 VAL 32 3.494 -5.954 -5.696 265 H THR 33 H THR 33 -1.968 -4.184 -6.014 266 HA THR 33 HA THR 33 -2.438 -6.878 -7.135 267 HB THR 33 HB THR 33 -4.480 -4.625 -6.879 268 HG1 THR 33 1HG THR 33 -3.830 -5.206 -4.809 269 HG21 THR 33 1HG2 THR 33 -4.837 -7.622 -7.310 270 HG22 THR 33 2HG2 THR 33 -5.089 -6.373 -8.529 271 HG23 THR 33 3HG2 THR 33 -6.147 -6.454 -7.119 272 HA PRO 34 HA PRO 34 -1.239 -4.543 -10.962 273 HB2 PRO 34 2HB PRO 34 -0.422 -6.696 -12.430 274 HB3 PRO 34 1HB PRO 34 0.589 -5.992 -11.155 275 HG2 PRO 34 2HG PRO 34 -1.174 -8.414 -11.017 276 HG3 PRO 34 1HG PRO 34 0.495 -8.212 -10.434 277 HD2 PRO 34 2HD PRO 34 -1.656 -8.028 -8.783 278 HD3 PRO 34 1HD PRO 34 -0.169 -7.093 -8.505 279 HA PRO 35 HA PRO 35 -5.042 -4.925 -13.155 280 HB2 PRO 35 2HB PRO 35 -4.443 -4.006 -15.663 281 HB3 PRO 35 1HB PRO 35 -4.366 -2.964 -14.231 282 HG2 PRO 35 2HG PRO 35 -2.132 -4.304 -15.695 283 HG3 PRO 35 1HG PRO 35 -2.208 -2.668 -15.003 284 HD2 PRO 35 2HD PRO 35 -0.974 -4.794 -13.748 285 HD3 PRO 35 1HD PRO 35 -1.638 -3.392 -12.892 286 H GLY 36 H GLY 36 -6.335 -6.197 -14.481 287 HA2 GLY 36 1HA GLY 36 -6.557 -7.636 -16.459 288 HA3 GLY 36 2HA GLY 36 -5.043 -8.408 -15.999 289 H ASN 37 H ASN 37 -5.026 -9.852 -14.208 290 HA ASN 37 HA ASN 37 -7.305 -11.571 -14.279 291 HB2 ASN 37 1HB ASN 37 -4.905 -12.335 -14.178 292 HB3 ASN 37 2HB ASN 37 -4.814 -11.773 -12.519 293 HD21 ASN 37 1HD2 ASN 37 -6.526 -15.343 -13.418 294 HD22 ASN 37 2HD2 ASN 37 -6.042 -14.232 -14.650 295 H GLY 38 H GLY 38 -5.783 -9.671 -11.633 296 HA2 GLY 38 1HA GLY 38 -7.763 -10.474 -9.669 297 HA3 GLY 38 2HA GLY 38 -6.434 -9.353 -9.433 298 H CYS 39 H CYS 39 -6.664 -7.195 -10.416 299 HA CYS 39 HA CYS 39 -9.472 -6.241 -10.423 300 HB2 CYS 39 2HB CYS 39 -6.924 -4.862 -9.471 301 HB3 CYS 39 1HB CYS 39 -8.455 -4.008 -9.700 302 HA PRO 40 HA PRO 40 -8.965 -4.896 -14.675 303 HB2 PRO 40 2HB PRO 40 -10.292 -2.455 -14.726 304 HB3 PRO 40 1HB PRO 40 -11.122 -4.021 -14.674 305 HG2 PRO 40 2HG PRO 40 -10.497 -2.159 -12.408 306 HG3 PRO 40 1HG PRO 40 -12.015 -3.021 -12.760 307 HD2 PRO 40 2HD PRO 40 -10.314 -3.932 -10.891 308 HD3 PRO 40 1HD PRO 40 -11.190 -5.065 -11.946 309 H LYS 41 H LYS 41 -7.824 -2.849 -12.111 310 HA LYS 41 HA LYS 41 -5.660 -1.795 -13.786 311 HB2 LYS 41 1HB LYS 41 -5.972 0.506 -12.941 312 HB3 LYS 41 2HB LYS 41 -7.376 -0.035 -13.854 313 HG2 LYS 41 1HG LYS 41 -8.588 -0.481 -11.748 314 HG3 LYS 41 2HG LYS 41 -7.182 0.063 -10.825 315 HD2 LYS 41 1HD LYS 41 -7.387 2.310 -11.971 316 HD3 LYS 41 2HD LYS 41 -8.887 1.742 -12.705 317 HE2 LYS 41 1HE LYS 41 -9.929 1.513 -10.513 318 HE3 LYS 41 2HE LYS 41 -8.407 1.924 -9.714 319 HZ1 LYS 41 1HZ LYS 41 -10.080 3.710 -11.400 320 HZ2 LYS 41 2HZ LYS 41 -8.529 4.118 -10.865 321 HZ3 LYS 41 3HZ LYS 41 -9.768 3.858 -9.743 322 H THR 42 H THR 42 -3.940 -0.738 -12.375 323 HA THR 42 HA THR 42 -3.211 -2.511 -10.257 324 HB THR 42 HB THR 42 -1.917 0.150 -10.976 325 HG1 THR 42 1HG THR 42 -1.653 -0.920 -12.804 326 HG21 THR 42 1HG2 THR 42 -1.126 -0.775 -8.813 327 HG22 THR 42 2HG2 THR 42 0.144 -0.839 -10.038 328 HG23 THR 42 3HG2 THR 42 -0.743 -2.302 -9.610 329 H GLU 43 H GLU 43 -3.706 -2.333 -8.131 330 HA GLU 43 HA GLU 43 -4.262 0.279 -6.888 331 HB2 GLU 43 1HB GLU 43 -6.402 -1.111 -7.775 332 HB3 GLU 43 2HB GLU 43 -6.188 -1.975 -6.268 333 HG2 GLU 43 1HG GLU 43 -6.577 1.025 -6.477 334 HG3 GLU 43 2HG GLU 43 -7.870 -0.125 -6.194 335 H VAL 44 H VAL 44 -3.502 0.353 -4.770 336 HA VAL 44 HA VAL 44 -2.050 -2.067 -3.851 337 HB VAL 44 HB VAL 44 -1.202 0.847 -3.523 338 HG11 VAL 44 1HG1 VAL 44 0.259 -1.706 -2.743 339 HG12 VAL 44 2HG1 VAL 44 -0.462 -0.538 -1.636 340 HG13 VAL 44 3HG1 VAL 44 0.913 -0.072 -2.629 341 HG21 VAL 44 1HG2 VAL 44 -0.013 -1.290 -5.335 342 HG22 VAL 44 2HG2 VAL 44 0.573 0.358 -5.151 343 HG23 VAL 44 3HG2 VAL 44 -1.005 0.066 -5.866 344 H VAL 45 H VAL 45 -3.271 -2.870 -2.230 345 HA VAL 45 HA VAL 45 -4.653 -1.105 -0.318 346 HB VAL 45 HB VAL 45 -4.778 -4.148 -0.673 347 HG11 VAL 45 1HG1 VAL 45 -6.755 -4.099 0.787 348 HG12 VAL 45 2HG1 VAL 45 -6.537 -2.367 1.042 349 HG13 VAL 45 3HG1 VAL 45 -5.326 -3.504 1.639 350 HG21 VAL 45 1HG2 VAL 45 -6.991 -3.759 -1.698 351 HG22 VAL 45 2HG2 VAL 45 -5.713 -2.961 -2.614 352 HG23 VAL 45 3HG2 VAL 45 -6.758 -2.014 -1.555 353 H ILE 46 H ILE 46 -3.338 -0.443 1.304 354 HA ILE 46 HA ILE 46 -1.318 -2.231 2.489 355 HB ILE 46 HB ILE 46 -1.848 0.743 2.994 356 HG12 ILE 46 1HG1 ILE 46 0.344 -0.623 1.377 357 HG13 ILE 46 2HG1 ILE 46 -0.981 0.324 0.720 358 HG21 ILE 46 1HG2 ILE 46 0.431 -1.002 4.004 359 HG22 ILE 46 2HG2 ILE 46 -0.869 -0.323 4.986 360 HG23 ILE 46 3HG2 ILE 46 0.304 0.745 4.219 361 HD11 ILE 46 1HD1 ILE 46 1.041 1.595 0.688 362 HD12 ILE 46 2HD1 ILE 46 1.283 1.362 2.416 363 HD13 ILE 46 3HD1 ILE 46 -0.082 2.322 1.831 364 H TRP 47 H TRP 47 -2.085 -3.523 4.098 365 HA TRP 47 HA TRP 47 -4.107 -2.606 6.012 366 HB2 TRP 47 2HB TRP 47 -2.313 -5.088 6.121 367 HB3 TRP 47 1HB TRP 47 -3.632 -4.734 7.228 368 HD1 TRP 47 1HD TRP 47 -6.149 -5.075 6.266 369 HE1 TRP 47 1HE TRP 47 -7.027 -6.579 4.380 370 HE3 TRP 47 3HE TRP 47 -1.753 -5.957 3.843 371 HZ2 TRP 47 2HZ TRP 47 -5.978 -8.006 2.181 372 HZ3 TRP 47 3HZ TRP 47 -1.756 -7.415 1.868 373 HH2 TRP 47 2HH TRP 47 -3.826 -8.419 1.046 374 H THR 48 H THR 48 -3.516 -1.340 7.754 375 HA THR 48 HA THR 48 -0.718 -1.222 8.630 376 HB THR 48 HB THR 48 -1.631 0.338 10.411 377 HG1 THR 48 1HG THR 48 -4.055 0.519 9.051 378 HG21 THR 48 1HG2 THR 48 -2.119 2.201 8.903 379 HG22 THR 48 2HG2 THR 48 -2.450 1.083 7.579 380 HG23 THR 48 3HG2 THR 48 -0.814 1.217 8.234 381 H LYS 49 H LYS 49 -0.166 -1.758 10.892 382 HA LYS 49 HA LYS 49 -1.255 -4.249 11.843 383 HB2 LYS 49 1HB LYS 49 0.431 -4.072 13.667 384 HB3 LYS 49 2HB LYS 49 1.140 -3.853 12.077 385 HG2 LYS 49 1HG LYS 49 1.318 -1.422 12.446 386 HG3 LYS 49 2HG LYS 49 0.488 -1.586 13.995 387 HD2 LYS 49 1HD LYS 49 2.937 -1.364 14.281 388 HD3 LYS 49 2HD LYS 49 2.348 -2.917 14.879 389 HE2 LYS 49 1HE LYS 49 4.418 -3.270 13.653 390 HE3 LYS 49 2HE LYS 49 3.088 -3.967 12.729 391 HZ1 LYS 49 1HZ LYS 49 4.591 -2.742 11.310 392 HZ2 LYS 49 2HZ LYS 49 4.379 -1.344 12.225 393 HZ3 LYS 49 3HZ LYS 49 3.089 -1.974 11.340 394 H MET 50 H MET 50 -2.259 -1.108 12.205 395 HA MET 50 HA MET 50 -3.711 -1.500 14.711 396 HB2 MET 50 1HB MET 50 -3.815 0.784 12.697 397 HB3 MET 50 2HB MET 50 -4.522 0.793 14.307 398 HG2 MET 50 1HG MET 50 -2.275 0.673 15.310 399 HG3 MET 50 2HG MET 50 -1.560 0.623 13.698 400 HE1 MET 50 1HE MET 50 -3.528 2.806 12.159 401 HE2 MET 50 2HE MET 50 -1.786 2.636 11.926 402 HE3 MET 50 3HE MET 50 -2.474 4.210 12.320 403 H LYS 51 H LYS 51 -3.990 -2.531 11.613 404 HA LYS 51 HA LYS 51 -5.483 -3.552 10.324 405 HB2 LYS 51 1HB LYS 51 -7.189 -3.527 12.833 406 HB3 LYS 51 2HB LYS 51 -7.661 -4.359 11.357 407 HG2 LYS 51 1HG LYS 51 -5.541 -5.719 11.517 408 HG3 LYS 51 2HG LYS 51 -5.247 -4.976 13.090 409 HD2 LYS 51 1HD LYS 51 -7.344 -5.951 13.966 410 HD3 LYS 51 2HD LYS 51 -7.704 -6.639 12.379 411 HE2 LYS 51 1HE LYS 51 -5.640 -8.031 12.542 412 HE3 LYS 51 2HE LYS 51 -5.348 -7.374 14.155 413 HZ1 LYS 51 1HZ LYS 51 -7.506 -8.308 14.838 414 HZ2 LYS 51 2HZ LYS 51 -6.412 -9.489 14.347 415 HZ3 LYS 51 3HZ LYS 51 -7.670 -9.031 13.317 416 H LYS 52 H LYS 52 -5.572 -0.503 10.741 417 HA LYS 52 HA LYS 52 -8.065 0.161 9.429 418 HB2 LYS 52 1HB LYS 52 -5.518 1.749 9.958 419 HB3 LYS 52 2HB LYS 52 -6.781 2.377 8.904 420 HG2 LYS 52 1HG LYS 52 -7.105 3.353 11.066 421 HG3 LYS 52 2HG LYS 52 -8.397 2.178 10.823 422 HD2 LYS 52 1HD LYS 52 -7.069 0.533 12.196 423 HD3 LYS 52 2HD LYS 52 -5.898 1.813 12.516 424 HE2 LYS 52 1HE LYS 52 -7.606 3.126 13.675 425 HE3 LYS 52 2HE LYS 52 -8.836 1.925 13.278 426 HZ1 LYS 52 1HZ LYS 52 -6.479 1.518 15.046 427 HZ2 LYS 52 2HZ LYS 52 -7.554 0.294 14.594 428 HZ3 LYS 52 3HZ LYS 52 -8.101 1.601 15.518 429 H VAL 53 H VAL 53 -8.464 -0.166 7.340 430 HA VAL 53 HA VAL 53 -6.371 -1.090 5.519 431 HB VAL 53 HB VAL 53 -9.384 -0.804 5.073 432 HG11 VAL 53 1HG1 VAL 53 -9.089 -2.287 3.137 433 HG12 VAL 53 2HG1 VAL 53 -7.347 -2.310 3.406 434 HG13 VAL 53 3HG1 VAL 53 -8.146 -0.805 2.947 435 HG21 VAL 53 1HG2 VAL 53 -7.809 -3.298 5.792 436 HG22 VAL 53 2HG2 VAL 53 -9.538 -3.226 5.457 437 HG23 VAL 53 3HG2 VAL 53 -8.881 -2.410 6.875 438 H ILE 54 H ILE 54 -5.151 0.614 4.868 439 HA ILE 54 HA ILE 54 -6.455 2.982 3.626 440 HB ILE 54 HB ILE 54 -3.535 2.674 4.517 441 HG12 ILE 54 1HG1 ILE 54 -5.752 4.310 5.840 442 HG13 ILE 54 2HG1 ILE 54 -5.109 2.796 6.461 443 HG21 ILE 54 1HG2 ILE 54 -3.813 4.210 2.586 444 HG22 ILE 54 2HG2 ILE 54 -3.329 5.091 4.030 445 HG23 ILE 54 3HG2 ILE 54 -5.008 5.144 3.493 446 HD11 ILE 54 1HD1 ILE 54 -3.605 5.400 6.195 447 HD12 ILE 54 2HD1 ILE 54 -2.904 3.870 6.729 448 HD13 ILE 54 3HD1 ILE 54 -4.175 4.635 7.677 449 H CYS 55 H CYS 55 -6.462 2.902 1.418 450 HA CYS 55 HA CYS 55 -4.462 1.239 0.006 451 HB2 CYS 55 2HB CYS 55 -6.051 1.058 -1.817 452 HB3 CYS 55 1HB CYS 55 -6.862 0.588 -0.323 453 H VAL 56 H VAL 56 -3.462 2.120 -1.799 454 HA VAL 56 HA VAL 56 -3.522 5.025 -2.182 455 HB VAL 56 HB VAL 56 -1.023 5.149 -2.110 456 HG11 VAL 56 1HG1 VAL 56 -2.318 5.842 -0.132 457 HG12 VAL 56 2HG1 VAL 56 -0.747 5.190 0.315 458 HG13 VAL 56 3HG1 VAL 56 -2.197 4.210 0.530 459 HG21 VAL 56 1HG2 VAL 56 -0.547 2.754 -2.541 460 HG22 VAL 56 2HG2 VAL 56 -1.112 2.349 -0.919 461 HG23 VAL 56 3HG2 VAL 56 0.321 3.357 -1.129 462 H ASN 57 H ASN 57 -2.374 5.682 -4.098 463 HA ASN 57 HA ASN 57 -2.733 3.878 -6.341 464 HB2 ASN 57 1HB ASN 57 -2.276 5.873 -7.706 465 HB3 ASN 57 2HB ASN 57 -3.429 6.276 -6.440 466 HD21 ASN 57 1HD2 ASN 57 0.162 8.127 -6.619 467 HD22 ASN 57 2HD2 ASN 57 -0.291 6.867 -7.709 468 HA PRO 58 HA PRO 58 1.500 2.376 -6.653 469 HB2 PRO 58 2HB PRO 58 1.869 2.306 -9.417 470 HB3 PRO 58 1HB PRO 58 0.939 1.107 -8.502 471 HG2 PRO 58 2HG PRO 58 -0.085 3.521 -9.974 472 HG3 PRO 58 1HG PRO 58 -0.681 1.850 -10.011 473 HD2 PRO 58 2HD PRO 58 -1.941 3.637 -8.508 474 HD3 PRO 58 1HD PRO 58 -1.650 2.002 -7.864 475 H ARG 59 H ARG 59 0.770 5.256 -8.622 476 HA ARG 59 HA ARG 59 3.523 5.997 -9.031 477 HB2 ARG 59 1HB ARG 59 1.557 6.503 -10.607 478 HB3 ARG 59 2HB ARG 59 1.068 7.755 -9.477 479 HG2 ARG 59 1HG ARG 59 3.305 8.857 -9.836 480 HG3 ARG 59 2HG ARG 59 3.640 7.655 -11.079 481 HD2 ARG 59 1HD ARG 59 1.710 8.449 -12.384 482 HD3 ARG 59 2HD ARG 59 1.338 9.631 -11.122 483 HE ARG 59 HE ARG 59 3.980 9.713 -12.396 484 HH11 ARG 59 1HH1 ARG 59 0.813 11.249 -12.044 485 HH12 ARG 59 2HH1 ARG 59 1.342 12.745 -12.751 486 HH21 ARG 59 1HH2 ARG 59 4.661 11.678 -13.259 487 HH22 ARG 59 2HH2 ARG 59 3.533 12.987 -13.444 488 H ALA 60 H ALA 60 1.786 6.145 -6.219 489 HA ALA 60 HA ALA 60 2.410 8.618 -5.069 490 HB1 ALA 60 1HB ALA 60 2.258 7.438 -2.896 491 HB2 ALA 60 2HB ALA 60 2.274 5.890 -3.745 492 HB3 ALA 60 3HB ALA 60 0.930 7.006 -3.978 493 H LYS 61 H LYS 61 4.338 9.539 -4.768 494 HA LYS 61 HA LYS 61 6.706 8.359 -5.762 495 HB2 LYS 61 1HB LYS 61 6.322 10.961 -4.234 496 HB3 LYS 61 2HB LYS 61 7.786 10.518 -5.111 497 HG2 LYS 61 1HG LYS 61 6.579 10.547 -7.231 498 HG3 LYS 61 2HG LYS 61 5.054 10.842 -6.394 499 HD2 LYS 61 1HD LYS 61 5.830 12.927 -7.361 500 HD3 LYS 61 2HD LYS 61 5.944 13.044 -5.609 501 HE2 LYS 61 1HE LYS 61 8.326 12.352 -7.360 502 HE3 LYS 61 2HE LYS 61 7.887 14.008 -6.952 503 HZ1 LYS 61 1HZ LYS 61 9.535 13.325 -5.429 504 HZ2 LYS 61 2HZ LYS 61 8.764 11.868 -5.090 505 HZ3 LYS 61 3HZ LYS 61 8.085 13.323 -4.560 506 H TRP 62 H TRP 62 5.592 8.974 -2.461 507 HA TRP 62 HA TRP 62 7.990 8.200 -1.123 508 HB2 TRP 62 2HB TRP 62 6.728 8.322 0.919 509 HB3 TRP 62 1HB TRP 62 6.028 9.557 -0.127 510 HD1 TRP 62 1HD TRP 62 3.488 9.115 -1.020 511 HE1 TRP 62 1HE TRP 62 1.647 7.487 -0.267 512 HE3 TRP 62 3HE TRP 62 6.279 6.024 1.962 513 HZ2 TRP 62 2HZ TRP 62 1.414 5.189 1.345 514 HZ3 TRP 62 3HZ TRP 62 5.174 4.134 3.070 515 HH2 TRP 62 2HH TRP 62 2.788 3.715 2.757 516 H LEU 63 H LEU 63 5.216 6.474 -2.417 517 HA LEU 63 HA LEU 63 5.431 4.067 -0.950 518 HB2 LEU 63 1HB LEU 63 3.369 4.669 -2.095 519 HB3 LEU 63 2HB LEU 63 4.186 4.644 -3.647 520 HG LEU 63 HG LEU 63 4.588 2.140 -3.278 521 HD11 LEU 63 1HD1 LEU 63 4.303 1.990 -0.899 522 HD12 LEU 63 2HD1 LEU 63 3.119 0.967 -1.703 523 HD13 LEU 63 3HD1 LEU 63 2.624 2.516 -1.018 524 HD21 LEU 63 1HD2 LEU 63 1.721 3.066 -3.520 525 HD22 LEU 63 2HD2 LEU 63 2.358 1.494 -3.999 526 HD23 LEU 63 3HD2 LEU 63 2.904 2.946 -4.823 527 H GLN 64 H GLN 64 6.731 5.135 -4.078 528 HA GLN 64 HA GLN 64 7.943 2.696 -4.846 529 HB2 GLN 64 1HB GLN 64 8.576 5.581 -5.603 530 HB3 GLN 64 2HB GLN 64 9.317 4.180 -6.376 531 HG2 GLN 64 1HG GLN 64 6.335 4.737 -6.313 532 HG3 GLN 64 2HG GLN 64 7.403 5.071 -7.677 533 HE21 GLN 64 1HE2 GLN 64 5.646 1.668 -7.837 534 HE22 GLN 64 2HE2 GLN 64 5.062 3.171 -7.237 535 H ARG 65 H ARG 65 9.051 5.361 -2.817 536 HA ARG 65 HA ARG 65 11.703 4.486 -2.364 537 HB2 ARG 65 1HB ARG 65 9.841 6.127 -0.590 538 HB3 ARG 65 2HB ARG 65 11.536 5.840 -0.220 539 HG2 ARG 65 1HG ARG 65 12.161 6.997 -2.337 540 HG3 ARG 65 2HG ARG 65 10.458 7.363 -2.614 541 HD2 ARG 65 1HD ARG 65 10.361 8.739 -0.626 542 HD3 ARG 65 2HD ARG 65 11.977 8.228 -0.129 543 HE ARG 65 HE ARG 65 12.257 9.435 -2.616 544 HH11 ARG 65 1HH1 ARG 65 11.199 10.434 0.603 545 HH12 ARG 65 2HH1 ARG 65 11.723 12.073 0.388 546 HH21 ARG 65 1HH2 ARG 65 12.970 11.599 -2.860 547 HH22 ARG 65 2HH2 ARG 65 12.718 12.728 -1.568 548 H LEU 66 H LEU 66 8.623 3.791 -0.718 549 HA LEU 66 HA LEU 66 9.561 2.112 1.335 550 HB2 LEU 66 1HB LEU 66 7.330 3.006 1.479 551 HB3 LEU 66 2HB LEU 66 6.885 2.335 -0.078 552 HG LEU 66 HG LEU 66 6.979 0.023 0.926 553 HD11 LEU 66 1HD1 LEU 66 8.526 0.422 2.762 554 HD12 LEU 66 2HD1 LEU 66 7.016 -0.265 3.344 555 HD13 LEU 66 3HD1 LEU 66 7.340 1.456 3.566 556 HD21 LEU 66 1HD2 LEU 66 4.846 1.211 0.705 557 HD22 LEU 66 2HD2 LEU 66 5.054 1.905 2.311 558 HD23 LEU 66 3HD2 LEU 66 4.863 0.164 2.121 559 H LEU 67 H LEU 67 8.456 1.370 -1.974 560 HA LEU 67 HA LEU 67 8.407 -1.464 -1.692 561 HB2 LEU 67 1HB LEU 67 8.474 0.275 -4.193 562 HB3 LEU 67 2HB LEU 67 8.221 -1.462 -4.216 563 HG LEU 67 HG LEU 67 6.353 0.554 -2.902 564 HD11 LEU 67 1HD1 LEU 67 6.355 0.783 -5.338 565 HD12 LEU 67 2HD1 LEU 67 4.826 0.123 -4.767 566 HD13 LEU 67 3HD1 LEU 67 6.018 -0.941 -5.524 567 HD21 LEU 67 1HD2 LEU 67 4.760 -1.322 -2.728 568 HD22 LEU 67 2HD2 LEU 67 6.208 -1.598 -1.771 569 HD23 LEU 67 3HD2 LEU 67 6.001 -2.435 -3.312 570 H ARG 68 H ARG 68 10.827 0.838 -2.936 571 HA ARG 68 HA ARG 68 12.764 -1.162 -3.632 572 HB2 ARG 68 1HB ARG 68 12.803 1.108 -4.627 573 HB3 ARG 68 2HB ARG 68 13.174 1.807 -3.054 574 HG2 ARG 68 1HG ARG 68 15.348 0.674 -3.020 575 HG3 ARG 68 2HG ARG 68 14.965 -0.155 -4.534 576 HD2 ARG 68 1HD ARG 68 16.482 1.759 -4.890 577 HD3 ARG 68 2HD ARG 68 14.949 1.989 -5.730 578 HE ARG 68 HE ARG 68 14.299 3.498 -3.889 579 HH11 ARG 68 1HH1 ARG 68 17.756 2.936 -4.347 580 HH12 ARG 68 2HH1 ARG 68 18.208 4.431 -3.594 581 HH21 ARG 68 1HH2 ARG 68 14.927 5.443 -2.915 582 HH22 ARG 68 2HH2 ARG 68 16.609 5.846 -2.784 583 H HIS 69 H HIS 69 12.000 0.645 -0.691 584 HA HIS 69 HA HIS 69 14.410 0.130 0.749 585 HB2 HIS 69 1HB HIS 69 12.894 1.999 1.312 586 HB3 HIS 69 2HB HIS 69 11.639 0.863 1.793 587 HD1 HIS 69 HD1 HIS 69 14.971 2.240 2.899 588 HD2 HIS 69 HD2 HIS 69 11.896 -0.123 4.395 589 HE1 HIS 69 HE1 HIS 69 15.450 1.967 5.343 590 HE2 HIS 69 HE2 HIS 69 13.580 0.560 6.229 591 H VAL 70 H VAL 70 11.297 -1.623 0.608 592 HA VAL 70 HA VAL 70 11.930 -3.452 2.739 593 HB VAL 70 HB VAL 70 9.990 -4.790 2.024 594 HG11 VAL 70 1HG1 VAL 70 9.388 -1.807 2.014 595 HG12 VAL 70 2HG1 VAL 70 9.571 -2.837 3.436 596 HG13 VAL 70 3HG1 VAL 70 8.220 -3.095 2.335 597 HG21 VAL 70 1HG2 VAL 70 10.216 -4.623 -0.420 598 HG22 VAL 70 2HG2 VAL 70 9.766 -2.920 -0.368 599 HG23 VAL 70 3HG2 VAL 70 8.595 -4.156 0.092 600 H GLN 71 H GLN 71 12.760 -3.304 -0.606 601 HA GLN 71 HA GLN 71 13.746 -6.061 -0.761 602 HB2 GLN 71 1HB GLN 71 13.794 -3.753 -2.754 603 HB3 GLN 71 2HB GLN 71 14.446 -5.356 -3.084 604 HG2 GLN 71 1HG GLN 71 12.192 -6.341 -2.788 605 HG3 GLN 71 2HG GLN 71 11.546 -4.731 -2.457 606 HE21 GLN 71 1HE2 GLN 71 11.356 -3.790 -5.837 607 HE22 GLN 71 2HE2 GLN 71 11.279 -3.277 -4.190 608 H SER 72 H SER 72 14.910 -2.835 -0.191 609 HA SER 72 HA SER 72 17.748 -3.453 -0.332 610 HB2 SER 72 1HB SER 72 16.890 -1.157 -0.857 611 HB3 SER 72 2HB SER 72 16.294 -1.000 0.800 612 HG SER 72 HG SER 72 18.999 -1.313 -0.033 613 H LYS 73 H LYS 73 19.166 -3.198 1.660 614 HA LYS 73 HA LYS 73 18.127 -4.723 3.861 615 HB2 LYS 73 1HB LYS 73 20.528 -4.888 3.158 616 HB3 LYS 73 2HB LYS 73 20.794 -3.233 3.703 617 HG2 LYS 73 1HG LYS 73 20.168 -3.925 6.031 618 HG3 LYS 73 2HG LYS 73 19.951 -5.576 5.455 619 HD2 LYS 73 1HD LYS 73 22.088 -5.642 6.423 620 HD3 LYS 73 2HD LYS 73 22.451 -5.426 4.713 621 HE2 LYS 73 1HE LYS 73 22.369 -3.164 6.742 622 HE3 LYS 73 2HE LYS 73 23.830 -4.020 6.261 623 HZ1 LYS 73 1HZ LYS 73 23.656 -1.985 5.052 624 HZ2 LYS 73 2HZ LYS 73 22.108 -2.362 4.503 625 HZ3 LYS 73 3HZ LYS 73 23.430 -3.264 3.970 626 H SER 74 H SER 74 17.029 -3.948 5.532 627 HA SER 74 HA SER 74 16.544 -1.162 6.011 628 HB2 SER 74 1HB SER 74 14.821 -2.901 6.432 629 HB3 SER 74 2HB SER 74 15.847 -3.646 7.659 630 HG SER 74 HG SER 74 14.308 -1.322 7.775 631 H LEU 75 H LEU 75 16.807 -0.276 8.347 632 HA LEU 75 HA LEU 75 19.597 -0.188 8.958 633 HB2 LEU 75 1HB LEU 75 17.951 1.716 9.207 634 HB3 LEU 75 2HB LEU 75 17.318 0.931 10.639 635 HG LEU 75 HG LEU 75 20.263 1.717 10.464 636 HD11 LEU 75 1HD1 LEU 75 19.749 3.850 11.562 637 HD12 LEU 75 2HD1 LEU 75 18.019 3.513 11.437 638 HD13 LEU 75 3HD1 LEU 75 18.983 3.743 9.977 639 HD21 LEU 75 1HD2 LEU 75 20.147 1.817 12.917 640 HD22 LEU 75 2HD2 LEU 75 19.680 0.226 12.326 641 HD23 LEU 75 3HD2 LEU 75 18.441 1.359 12.871 642 H SER 76 H SER 76 20.718 -1.369 10.309 643 HA SER 76 HA SER 76 19.482 -3.018 12.414 644 HB2 SER 76 1HB SER 76 19.718 -4.465 10.398 645 HB3 SER 76 2HB SER 76 21.419 -4.038 10.277 646 HG SER 76 HG SER 76 21.037 -6.078 11.284 647 H SER 77 H SER 77 21.071 -3.688 14.045 648 HA SER 77 HA SER 77 23.141 -1.817 14.617 649 HB2 SER 77 1HB SER 77 21.997 -3.085 16.419 650 HB3 SER 77 2HB SER 77 22.655 -4.597 15.789 651 HG SER 77 HG SER 77 23.787 -3.443 17.613 652 H THR 78 H THR 78 24.721 -1.686 13.102 653 HA THR 78 HA THR 78 25.839 -3.931 11.702 654 HB THR 78 HB THR 78 27.465 -2.254 10.787 655 HG1 THR 78 1HG THR 78 27.477 -0.946 12.785 656 HG21 THR 78 1HG2 THR 78 25.838 -0.840 9.586 657 HG22 THR 78 2HG2 THR 78 24.586 -1.256 10.756 658 HG23 THR 78 3HG2 THR 78 25.251 -2.501 9.697 659 HA PRO 79 HA PRO 79 29.050 -4.932 14.777 660 HB2 PRO 79 2HB PRO 79 30.861 -6.195 13.119 661 HB3 PRO 79 1HB PRO 79 29.381 -6.973 13.706 662 HG2 PRO 79 2HG PRO 79 29.882 -5.657 11.060 663 HG3 PRO 79 1HG PRO 79 29.063 -7.197 11.408 664 HD2 PRO 79 2HD PRO 79 27.667 -4.940 10.891 665 HD3 PRO 79 1HD PRO 79 27.075 -6.144 12.061 666 H GLN 80 H GLN 80 31.318 -4.407 15.184 667 HA GLN 80 HA GLN 80 31.945 -1.754 14.865 668 HB2 GLN 80 1HB GLN 80 34.215 -2.300 15.755 669 HB3 GLN 80 2HB GLN 80 32.909 -3.020 16.684 670 HG2 GLN 80 1HG GLN 80 33.355 -5.211 15.670 671 HG3 GLN 80 2HG GLN 80 34.629 -4.493 14.677 672 HE21 GLN 80 1HE2 GLN 80 37.030 -4.468 17.237 673 HE22 GLN 80 2HE2 GLN 80 36.588 -3.888 15.672 674 H ALA 81 H ALA 81 32.472 -0.614 13.167 675 HA ALA 81 HA ALA 81 33.222 -1.633 10.636 676 HB1 ALA 81 1HB ALA 81 33.325 1.229 11.658 677 HB2 ALA 81 2HB ALA 81 31.937 0.454 10.893 678 HB3 ALA 81 3HB ALA 81 33.410 0.741 9.967 679 HA PRO 82 HA PRO 82 37.622 -2.325 10.910 680 HB2 PRO 82 2HB PRO 82 38.454 -1.193 8.436 681 HB3 PRO 82 1HB PRO 82 37.889 -2.851 8.684 682 HG2 PRO 82 2HG PRO 82 36.352 -0.468 7.728 683 HG3 PRO 82 1HG PRO 82 36.274 -2.158 7.171 684 HD2 PRO 82 2HD PRO 82 34.359 -1.216 8.760 685 HD3 PRO 82 1HD PRO 82 35.008 -2.848 9.049 686 H VAL 83 H VAL 83 39.724 -1.303 11.044 687 HA VAL 83 HA VAL 83 39.565 1.077 12.620 688 HB VAL 83 HB VAL 83 42.022 -0.498 11.705 689 HG11 VAL 83 1HG1 VAL 83 42.687 1.827 12.195 690 HG12 VAL 83 2HG1 VAL 83 43.295 0.738 13.442 691 HG13 VAL 83 3HG1 VAL 83 41.882 1.745 13.765 692 HG21 VAL 83 1HG2 VAL 83 40.575 -1.792 13.210 693 HG22 VAL 83 2HG2 VAL 83 40.543 -0.463 14.366 694 HG23 VAL 83 3HG2 VAL 83 42.050 -1.328 14.058 695 H SER 84 H SER 84 39.419 3.059 11.811 696 HA SER 84 HA SER 84 41.112 3.903 9.537 697 HB2 SER 84 1HB SER 84 38.755 3.584 8.732 698 HB3 SER 84 2HB SER 84 38.178 4.681 9.985 699 HG SER 84 HG SER 84 40.120 5.471 8.083 700 H LYS 85 H LYS 85 42.592 5.049 10.743 701 HA LYS 85 HA LYS 85 41.602 7.328 12.380 702 HB2 LYS 85 1HB LYS 85 44.205 5.768 12.752 703 HB3 LYS 85 2HB LYS 85 43.718 7.176 13.676 704 HG2 LYS 85 1HG LYS 85 41.711 5.818 14.489 705 HG3 LYS 85 2HG LYS 85 42.457 4.426 13.705 706 HD2 LYS 85 1HD LYS 85 43.183 4.199 15.928 707 HD3 LYS 85 2HD LYS 85 44.555 4.995 15.163 708 HE2 LYS 85 1HE LYS 85 43.704 7.189 16.055 709 HE3 LYS 85 2HE LYS 85 42.417 6.315 16.873 710 HZ1 LYS 85 1HZ LYS 85 44.066 5.138 18.161 711 HZ2 LYS 85 2HZ LYS 85 44.278 6.807 18.330 712 HZ3 LYS 85 3HZ LYS 85 45.320 5.925 17.349 713 H ARG 86 H ARG 86 42.928 9.253 12.273 714 HA ARG 86 HA ARG 86 45.030 9.503 10.282 715 HB2 ARG 86 1HB ARG 86 42.716 9.726 9.088 716 HB3 ARG 86 2HB ARG 86 42.548 11.262 9.915 717 HG2 ARG 86 1HG ARG 86 44.893 10.621 8.101 718 HG3 ARG 86 2HG ARG 86 43.398 11.329 7.507 719 HD2 ARG 86 1HD ARG 86 43.747 13.297 8.939 720 HD3 ARG 86 2HD ARG 86 45.234 12.583 9.574 721 HE ARG 86 HE ARG 86 45.459 12.713 6.791 722 HH11 ARG 86 1HH1 ARG 86 45.254 14.950 9.528 723 HH12 ARG 86 2HH1 ARG 86 46.170 16.186 8.726 724 HH21 ARG 86 1HH2 ARG 86 46.664 14.342 5.778 725 HH22 ARG 86 2HH2 ARG 86 46.963 15.840 6.600 726 H ARG 87 H ARG 87 46.518 10.752 11.218 727 HA ARG 87 HA ARG 87 45.754 12.562 13.435 728 HB2 ARG 87 1HB ARG 87 47.315 10.686 13.967 729 HB3 ARG 87 2HB ARG 87 48.458 11.294 12.776 730 HG2 ARG 87 1HG ARG 87 48.710 13.381 14.126 731 HG3 ARG 87 2HG ARG 87 47.607 12.711 15.330 732 HD2 ARG 87 1HD ARG 87 49.216 10.800 15.651 733 HD3 ARG 87 2HD ARG 87 50.337 11.618 14.558 734 HE ARG 87 HE ARG 87 49.629 13.417 16.598 735 HH11 ARG 87 1HH1 ARG 87 51.421 10.393 16.256 736 HH12 ARG 87 2HH1 ARG 87 52.465 10.712 17.604 737 HH21 ARG 87 1HH2 ARG 87 51.011 13.836 18.370 738 HH22 ARG 87 2HH2 ARG 87 52.232 12.681 18.806 739 H ALA 88 H ALA 88 46.044 14.739 13.195 740 HA ALA 88 HA ALA 88 47.528 15.783 10.852 741 HB1 ALA 88 1HB ALA 88 45.570 17.170 12.722 742 HB2 ALA 88 2HB ALA 88 45.224 16.573 11.101 743 HB3 ALA 88 3HB ALA 88 46.353 17.906 11.321 744 H ALA 89 H ALA 89 49.641 15.650 11.539 745 HA ALA 89 HA ALA 89 50.591 17.732 13.287 746 HB1 ALA 89 1HB ALA 89 51.873 16.266 14.817 747 HB2 ALA 89 2HB ALA 89 51.137 14.842 14.081 748 HB3 ALA 89 3HB ALA 89 50.136 15.988 14.971 Start of MODEL 3 1 H1 MET 1 1H MET 1 7.036 -3.993 7.534 2 H2 MET 1 2H MET 1 8.079 -4.794 6.470 3 H3 MET 1 3H MET 1 7.054 -5.685 7.470 4 HA MET 1 HA MET 1 5.125 -4.766 6.342 5 HB2 MET 1 1HB MET 1 7.187 -3.620 4.395 6 HB3 MET 1 2HB MET 1 5.437 -3.543 4.210 7 HG2 MET 1 1HG MET 1 6.248 -1.404 4.933 8 HG3 MET 1 2HG MET 1 5.335 -2.135 6.257 9 HE1 MET 1 1HE MET 1 6.405 -0.345 7.928 10 HE2 MET 1 2HE MET 1 7.336 0.356 6.604 11 HE3 MET 1 3HE MET 1 8.140 -0.107 8.103 12 H ILE 2 H ILE 2 4.769 -6.990 6.086 13 HA ILE 2 HA ILE 2 6.281 -8.588 4.199 14 HB ILE 2 HB ILE 2 3.570 -9.244 5.460 15 HG12 ILE 2 1HG1 ILE 2 6.349 -10.022 6.468 16 HG13 ILE 2 2HG1 ILE 2 5.336 -8.778 7.190 17 HG21 ILE 2 1HG2 ILE 2 5.641 -11.086 4.205 18 HG22 ILE 2 2HG2 ILE 2 4.084 -10.650 3.500 19 HG23 ILE 2 3HG2 ILE 2 4.143 -11.605 4.981 20 HD11 ILE 2 1HD1 ILE 2 4.678 -11.719 7.040 21 HD12 ILE 2 2HD1 ILE 2 3.670 -10.466 7.769 22 HD13 ILE 2 3HD1 ILE 2 5.249 -10.837 8.456 23 H LEU 3 H LEU 3 5.725 -9.013 2.039 24 HA LEU 3 HA LEU 3 3.746 -7.157 0.896 25 HB2 LEU 3 1HB LEU 3 6.074 -6.827 0.178 26 HB3 LEU 3 2HB LEU 3 6.172 -8.494 -0.358 27 HG LEU 3 HG LEU 3 4.460 -8.012 -2.123 28 HD11 LEU 3 1HD1 LEU 3 3.926 -5.665 -2.713 29 HD12 LEU 3 2HD1 LEU 3 4.660 -5.133 -1.201 30 HD13 LEU 3 3HD1 LEU 3 3.228 -6.165 -1.178 31 HD21 LEU 3 1HD2 LEU 3 5.940 -6.761 -3.628 32 HD22 LEU 3 2HD2 LEU 3 6.844 -7.939 -2.679 33 HD23 LEU 3 3HD2 LEU 3 6.911 -6.227 -2.252 34 H GLU 4 H GLU 4 1.856 -8.106 0.530 35 HA GLU 4 HA GLU 4 1.571 -10.866 -0.387 36 HB2 GLU 4 1HB GLU 4 -0.476 -8.658 0.156 37 HB3 GLU 4 2HB GLU 4 -0.900 -10.285 -0.364 38 HG2 GLU 4 1HG GLU 4 -1.275 -10.110 1.999 39 HG3 GLU 4 2HG GLU 4 0.087 -11.187 1.726 40 H ALA 5 H ALA 5 0.854 -11.458 -2.438 41 HA ALA 5 HA ALA 5 0.589 -9.358 -4.525 42 HB1 ALA 5 1HB ALA 5 1.682 -12.184 -4.841 43 HB2 ALA 5 2HB ALA 5 2.636 -10.700 -4.839 44 HB3 ALA 5 3HB ALA 5 1.480 -10.998 -6.137 45 H HIS 6 H HIS 6 -1.297 -9.397 -5.686 46 HA HIS 6 HA HIS 6 -3.370 -11.299 -4.883 47 HB2 HIS 6 1HB HIS 6 -3.364 -8.569 -5.688 48 HB3 HIS 6 2HB HIS 6 -4.174 -9.406 -7.001 49 HD1 HIS 6 HD1 HIS 6 -5.695 -7.417 -5.313 50 HD2 HIS 6 HD2 HIS 6 -5.591 -11.479 -4.468 51 HE1 HIS 6 HE1 HIS 6 -7.754 -7.873 -3.960 52 HE2 HIS 6 HE2 HIS 6 -7.557 -10.291 -3.298 53 H TYR 7 H TYR 7 -2.970 -13.281 -5.837 54 HA TYR 7 HA TYR 7 -1.899 -13.546 -8.498 55 HB2 TYR 7 2HB TYR 7 -1.165 -15.158 -6.846 56 HB3 TYR 7 1HB TYR 7 -2.815 -15.621 -6.451 57 HD1 TYR 7 1HD TYR 7 -3.845 -17.450 -7.619 58 HD2 TYR 7 2HD TYR 7 -0.286 -15.714 -9.231 59 HE1 TYR 7 1HE TYR 7 -3.753 -19.221 -9.320 60 HE2 TYR 7 2HE TYR 7 -0.192 -17.494 -10.924 61 HH TYR 7 HH TYR 7 -2.797 -19.607 -11.531 62 H THR 8 H THR 8 -4.952 -14.707 -6.991 63 HA THR 8 HA THR 8 -6.146 -15.346 -9.520 64 HB THR 8 HB THR 8 -8.212 -15.774 -8.093 65 HG1 THR 8 1HG THR 8 -8.180 -15.298 -6.014 66 HG21 THR 8 1HG2 THR 8 -7.319 -17.795 -6.999 67 HG22 THR 8 2HG2 THR 8 -5.676 -17.186 -7.193 68 HG23 THR 8 3HG2 THR 8 -6.630 -17.608 -8.616 69 H ASN 9 H ASN 9 -7.452 -13.213 -6.964 70 HA ASN 9 HA ASN 9 -8.439 -11.198 -6.941 71 HB2 ASN 9 1HB ASN 9 -6.162 -10.488 -7.538 72 HB3 ASN 9 2HB ASN 9 -6.552 -10.610 -9.253 73 HD21 ASN 9 1HD2 ASN 9 -7.321 -7.195 -9.158 74 HD22 ASN 9 2HD2 ASN 9 -6.391 -8.481 -9.843 75 H LEU 10 H LEU 10 -10.575 -11.843 -7.517 76 HA LEU 10 HA LEU 10 -11.489 -11.598 -10.267 77 HB2 LEU 10 1HB LEU 10 -12.470 -13.083 -8.307 78 HB3 LEU 10 2HB LEU 10 -13.334 -11.631 -7.851 79 HG LEU 10 HG LEU 10 -13.593 -13.017 -10.560 80 HD11 LEU 10 1HD1 LEU 10 -14.450 -14.452 -8.772 81 HD12 LEU 10 2HD1 LEU 10 -15.764 -13.847 -9.776 82 HD13 LEU 10 3HD1 LEU 10 -15.477 -13.141 -8.183 83 HD21 LEU 10 1HD2 LEU 10 -15.594 -11.630 -10.896 84 HD22 LEU 10 2HD2 LEU 10 -14.152 -10.633 -10.717 85 HD23 LEU 10 3HD2 LEU 10 -15.286 -10.792 -9.372 86 H LYS 11 H LYS 11 -12.247 -9.866 -7.216 87 HA LYS 11 HA LYS 11 -12.194 -7.271 -8.635 88 HB2 LYS 11 1HB LYS 11 -14.319 -8.240 -6.662 89 HB3 LYS 11 2HB LYS 11 -14.116 -6.553 -7.112 90 HG2 LYS 11 1HG LYS 11 -14.586 -7.216 -9.508 91 HG3 LYS 11 2HG LYS 11 -14.985 -8.833 -8.909 92 HD2 LYS 11 1HD LYS 11 -16.780 -7.884 -7.499 93 HD3 LYS 11 2HD LYS 11 -16.347 -6.258 -8.032 94 HE2 LYS 11 1HE LYS 11 -18.312 -7.005 -9.243 95 HE3 LYS 11 2HE LYS 11 -16.952 -6.893 -10.363 96 HZ1 LYS 11 1HZ LYS 11 -18.306 -8.918 -10.634 97 HZ2 LYS 11 2HZ LYS 11 -17.864 -9.416 -9.080 98 HZ3 LYS 11 3HZ LYS 11 -16.689 -9.252 -10.288 99 H CYS 12 H CYS 12 -10.985 -5.766 -7.578 100 HA CYS 12 HA CYS 12 -9.732 -6.403 -5.033 101 HB2 CYS 12 2HB CYS 12 -9.437 -3.894 -6.738 102 HB3 CYS 12 1HB CYS 12 -8.351 -4.447 -5.465 103 H ARG 13 H ARG 13 -11.107 -6.120 -3.336 104 HA ARG 13 HA ARG 13 -12.845 -3.747 -3.254 105 HB2 ARG 13 1HB ARG 13 -13.013 -6.380 -1.749 106 HB3 ARG 13 2HB ARG 13 -14.016 -4.992 -1.357 107 HG2 ARG 13 1HG ARG 13 -13.978 -6.411 -4.040 108 HG3 ARG 13 2HG ARG 13 -15.191 -6.648 -2.783 109 HD2 ARG 13 1HD ARG 13 -16.126 -5.151 -4.425 110 HD3 ARG 13 2HD ARG 13 -15.776 -4.204 -2.981 111 HE ARG 13 HE ARG 13 -13.819 -4.240 -5.188 112 HH11 ARG 13 1HH1 ARG 13 -16.267 -2.380 -3.433 113 HH12 ARG 13 2HH1 ARG 13 -15.737 -0.863 -4.094 114 HH21 ARG 13 1HH2 ARG 13 -13.122 -2.244 -5.974 115 HH22 ARG 13 2HH2 ARG 13 -13.961 -0.793 -5.527 116 H CYS 14 H CYS 14 -11.282 -2.307 -2.765 117 HA CYS 14 HA CYS 14 -10.945 -2.031 0.151 118 HB2 CYS 14 2HB CYS 14 -8.697 -2.437 -0.850 119 HB3 CYS 14 1HB CYS 14 -8.920 -1.039 -1.905 120 H SER 15 H SER 15 -10.894 0.302 0.756 121 HA SER 15 HA SER 15 -13.145 1.670 0.054 122 HB2 SER 15 1HB SER 15 -10.570 2.903 1.096 123 HB3 SER 15 2HB SER 15 -12.188 3.556 1.306 124 HG SER 15 HG SER 15 -12.603 1.407 2.360 125 H GLY 16 H GLY 16 -9.981 1.968 -1.506 126 HA2 GLY 16 1HA GLY 16 -10.605 2.560 -4.019 127 HA3 GLY 16 2HA GLY 16 -10.807 4.148 -3.279 128 H VAL 17 H VAL 17 -9.072 5.372 -3.610 129 HA VAL 17 HA VAL 17 -6.418 4.366 -2.805 130 HB VAL 17 HB VAL 17 -5.325 5.823 -4.557 131 HG11 VAL 17 1HG1 VAL 17 -5.593 4.253 -6.453 132 HG12 VAL 17 2HG1 VAL 17 -7.018 3.556 -5.678 133 HG13 VAL 17 3HG1 VAL 17 -5.435 3.405 -4.914 134 HG21 VAL 17 1HG2 VAL 17 -7.201 7.331 -5.065 135 HG22 VAL 17 2HG2 VAL 17 -8.109 5.999 -5.783 136 HG23 VAL 17 3HG2 VAL 17 -6.614 6.557 -6.539 137 H ILE 18 H ILE 18 -5.333 5.807 -1.486 138 HA ILE 18 HA ILE 18 -6.633 8.423 -0.919 139 HB ILE 18 HB ILE 18 -5.098 6.808 1.189 140 HG12 ILE 18 1HG1 ILE 18 -8.115 6.720 0.702 141 HG13 ILE 18 2HG1 ILE 18 -7.001 5.389 0.448 142 HG21 ILE 18 1HG2 ILE 18 -5.430 9.236 1.610 143 HG22 ILE 18 2HG2 ILE 18 -6.295 8.254 2.780 144 HG23 ILE 18 3HG2 ILE 18 -7.178 9.024 1.462 145 HD11 ILE 18 1HD1 ILE 18 -8.261 5.062 2.467 146 HD12 ILE 18 2HD1 ILE 18 -7.738 6.616 3.108 147 HD13 ILE 18 3HD1 ILE 18 -6.566 5.316 2.876 148 H SER 19 H SER 19 -5.256 10.154 -1.020 149 HA SER 19 HA SER 19 -2.557 9.697 -2.052 150 HB2 SER 19 1HB SER 19 -4.207 12.261 -1.860 151 HB3 SER 19 2HB SER 19 -2.707 12.062 -2.769 152 HG SER 19 HG SER 19 -4.534 10.154 -3.414 153 H THR 20 H THR 20 -3.370 9.531 0.930 154 HA THR 20 HA THR 20 -1.681 11.588 2.151 155 HB THR 20 HB THR 20 -2.426 10.501 4.324 156 HG1 THR 20 1HG THR 20 -2.912 8.433 3.623 157 HG21 THR 20 1HG2 THR 20 -3.652 12.452 3.430 158 HG22 THR 20 2HG2 THR 20 -4.748 11.337 4.247 159 HG23 THR 20 3HG2 THR 20 -4.683 11.375 2.485 160 H VAL 21 H VAL 21 0.265 11.128 3.130 161 HA VAL 21 HA VAL 21 1.665 8.703 2.505 162 HB VAL 21 HB VAL 21 2.823 10.920 2.598 163 HG11 VAL 21 1HG1 VAL 21 1.735 11.973 4.524 164 HG12 VAL 21 2HG1 VAL 21 3.480 11.941 4.752 165 HG13 VAL 21 3HG1 VAL 21 2.460 10.789 5.614 166 HG21 VAL 21 1HG2 VAL 21 3.951 8.854 4.512 167 HG22 VAL 21 2HG2 VAL 21 4.877 10.140 3.734 168 HG23 VAL 21 3HG2 VAL 21 4.139 8.869 2.760 169 H VAL 22 H VAL 22 1.801 6.890 3.751 170 HA VAL 22 HA VAL 22 0.496 6.841 6.399 171 HB VAL 22 HB VAL 22 1.437 4.419 4.787 172 HG11 VAL 22 1HG1 VAL 22 1.032 4.008 7.183 173 HG12 VAL 22 2HG1 VAL 22 -0.168 3.177 6.193 174 HG13 VAL 22 3HG1 VAL 22 -0.599 4.668 7.030 175 HG21 VAL 22 1HG2 VAL 22 -1.350 5.621 4.746 176 HG22 VAL 22 2HG2 VAL 22 -0.830 4.154 3.914 177 HG23 VAL 22 3HG2 VAL 22 -0.184 5.722 3.428 178 H GLY 23 H GLY 23 1.666 6.466 8.228 179 HA2 GLY 23 1HA GLY 23 4.477 6.920 8.215 180 HA3 GLY 23 2HA GLY 23 3.483 6.565 9.621 181 H LEU 24 H LEU 24 6.151 5.557 8.369 182 HA LEU 24 HA LEU 24 5.888 2.857 7.600 183 HB2 LEU 24 1HB LEU 24 8.237 4.480 8.624 184 HB3 LEU 24 2HB LEU 24 8.407 2.760 8.315 185 HG LEU 24 HG LEU 24 7.838 3.125 5.926 186 HD11 LEU 24 1HD1 LEU 24 7.798 6.085 6.577 187 HD12 LEU 24 2HD1 LEU 24 6.421 5.108 6.059 188 HD13 LEU 24 3HD1 LEU 24 7.765 5.384 4.957 189 HD21 LEU 24 1HD2 LEU 24 10.126 4.832 6.946 190 HD22 LEU 24 2HD2 LEU 24 9.959 4.210 5.301 191 HD23 LEU 24 3HD2 LEU 24 10.171 3.092 6.645 192 H ASN 25 H ASN 25 6.330 4.355 10.739 193 HA ASN 25 HA ASN 25 6.879 2.133 12.342 194 HB2 ASN 25 1HB ASN 25 6.224 3.495 14.245 195 HB3 ASN 25 2HB ASN 25 7.068 4.519 13.096 196 HD21 ASN 25 1HD2 ASN 25 3.720 5.999 12.159 197 HD22 ASN 25 2HD2 ASN 25 4.834 5.006 11.301 198 H ILE 26 H ILE 26 3.803 3.186 10.960 199 HA ILE 26 HA ILE 26 2.364 1.149 12.553 200 HB ILE 26 HB ILE 26 0.258 2.214 11.993 201 HG12 ILE 26 1HG1 ILE 26 1.811 4.314 10.401 202 HG13 ILE 26 2HG1 ILE 26 0.884 3.007 9.680 203 HG21 ILE 26 1HG2 ILE 26 0.543 4.376 13.185 204 HG22 ILE 26 2HG2 ILE 26 2.289 4.261 12.968 205 HG23 ILE 26 3HG2 ILE 26 1.444 3.072 13.960 206 HD11 ILE 26 1HD1 ILE 26 -1.158 3.913 10.601 207 HD12 ILE 26 2HD1 ILE 26 -0.313 5.117 9.630 208 HD13 ILE 26 3HD1 ILE 26 -0.253 5.205 11.392 209 H ILE 27 H ILE 27 3.456 1.782 9.280 210 HA ILE 27 HA ILE 27 1.604 0.174 7.863 211 HB ILE 27 HB ILE 27 4.551 0.591 7.168 212 HG12 ILE 27 1HG1 ILE 27 2.090 2.076 6.143 213 HG13 ILE 27 2HG1 ILE 27 3.255 2.724 7.285 214 HG21 ILE 27 1HG2 ILE 27 3.887 -0.062 4.863 215 HG22 ILE 27 2HG2 ILE 27 2.251 -0.393 5.430 216 HG23 ILE 27 3HG2 ILE 27 3.598 -1.371 6.010 217 HD11 ILE 27 1HD1 ILE 27 3.798 2.005 4.405 218 HD12 ILE 27 2HD1 ILE 27 5.000 2.597 5.556 219 HD13 ILE 27 3HD1 ILE 27 3.646 3.622 5.093 220 H ASP 28 H ASP 28 1.126 -1.811 8.465 221 HA ASP 28 HA ASP 28 2.955 -3.599 9.847 222 HB2 ASP 28 1HB ASP 28 0.698 -3.426 10.700 223 HB3 ASP 28 2HB ASP 28 0.001 -3.695 9.108 224 H ARG 29 H ARG 29 0.948 -3.643 6.909 225 HA ARG 29 HA ARG 29 2.877 -5.325 5.498 226 HB2 ARG 29 1HB ARG 29 0.064 -6.202 6.226 227 HB3 ARG 29 2HB ARG 29 0.781 -6.766 4.719 228 HG2 ARG 29 1HG ARG 29 2.550 -7.900 5.871 229 HG3 ARG 29 2HG ARG 29 2.138 -7.133 7.402 230 HD2 ARG 29 1HD ARG 29 0.326 -9.082 5.938 231 HD3 ARG 29 2HD ARG 29 1.434 -9.519 7.249 232 HE ARG 29 HE ARG 29 -0.104 -7.412 8.172 233 HH11 ARG 29 1HH1 ARG 29 -0.694 -10.748 7.225 234 HH12 ARG 29 2HH1 ARG 29 -2.053 -10.923 8.288 235 HH21 ARG 29 1HH2 ARG 29 -1.817 -7.644 9.576 236 HH22 ARG 29 2HH2 ARG 29 -2.699 -9.146 9.635 237 H ILE 30 H ILE 30 2.395 -5.488 3.195 238 HA ILE 30 HA ILE 30 0.683 -3.358 2.059 239 HB ILE 30 HB ILE 30 3.647 -3.800 1.373 240 HG12 ILE 30 1HG1 ILE 30 2.233 -1.333 2.476 241 HG13 ILE 30 2HG1 ILE 30 3.321 -2.380 3.374 242 HG21 ILE 30 1HG2 ILE 30 1.676 -1.953 -0.025 243 HG22 ILE 30 2HG2 ILE 30 2.365 -3.430 -0.704 244 HG23 ILE 30 3HG2 ILE 30 3.407 -2.052 -0.354 245 HD11 ILE 30 1HD1 ILE 30 4.073 -0.611 1.043 246 HD12 ILE 30 2HD1 ILE 30 5.172 -1.689 1.910 247 HD13 ILE 30 3HD1 ILE 30 4.425 -0.332 2.749 248 H GLN 31 H GLN 31 -0.249 -4.014 0.120 249 HA GLN 31 HA GLN 31 0.635 -6.560 -1.121 250 HB2 GLN 31 1HB GLN 31 -1.505 -6.991 -0.082 251 HB3 GLN 31 2HB GLN 31 -2.179 -5.477 -0.669 252 HG2 GLN 31 1HG GLN 31 -2.157 -6.326 -2.969 253 HG3 GLN 31 2HG GLN 31 -1.412 -7.829 -2.430 254 HE21 GLN 31 1HE2 GLN 31 -4.576 -8.639 -0.626 255 HE22 GLN 31 2HE2 GLN 31 -2.961 -8.308 -0.112 256 H VAL 32 H VAL 32 0.796 -6.502 -3.328 257 HA VAL 32 HA VAL 32 0.139 -3.962 -4.729 258 HB VAL 32 HB VAL 32 1.841 -4.713 -6.475 259 HG11 VAL 32 1HG1 VAL 32 3.793 -3.898 -5.202 260 HG12 VAL 32 2HG1 VAL 32 2.929 -4.165 -3.685 261 HG13 VAL 32 3HG1 VAL 32 2.351 -2.954 -4.828 262 HG21 VAL 32 1HG2 VAL 32 3.570 -6.352 -5.857 263 HG22 VAL 32 2HG2 VAL 32 1.983 -7.120 -5.857 264 HG23 VAL 32 3HG2 VAL 32 2.751 -6.684 -4.329 265 H THR 33 H THR 33 -1.629 -4.138 -5.952 266 HA THR 33 HA THR 33 -2.222 -6.694 -7.330 267 HB THR 33 HB THR 33 -4.168 -4.434 -6.731 268 HG1 THR 33 1HG THR 33 -3.551 -5.554 -4.837 269 HG21 THR 33 1HG2 THR 33 -4.827 -5.710 -8.721 270 HG22 THR 33 2HG2 THR 33 -5.888 -6.116 -7.371 271 HG23 THR 33 3HG2 THR 33 -4.609 -7.225 -7.845 272 HA PRO 34 HA PRO 34 -1.244 -4.068 -11.016 273 HB2 PRO 34 2HB PRO 34 -0.679 -6.673 -12.327 274 HB3 PRO 34 1HB PRO 34 0.409 -5.297 -12.063 275 HG2 PRO 34 2HG PRO 34 0.719 -7.640 -10.754 276 HG3 PRO 34 1HG PRO 34 1.149 -6.077 -10.019 277 HD2 PRO 34 2HD PRO 34 -1.349 -7.730 -9.613 278 HD3 PRO 34 1HD PRO 34 -0.322 -6.907 -8.410 279 HA PRO 35 HA PRO 35 -5.159 -4.927 -13.148 280 HB2 PRO 35 2HB PRO 35 -4.677 -3.863 -15.632 281 HB3 PRO 35 1HB PRO 35 -4.888 -2.846 -14.194 282 HG2 PRO 35 2HG PRO 35 -2.328 -3.723 -15.507 283 HG3 PRO 35 1HG PRO 35 -2.805 -2.103 -14.938 284 HD2 PRO 35 2HD PRO 35 -1.217 -3.715 -13.441 285 HD3 PRO 35 1HD PRO 35 -2.401 -2.610 -12.702 286 H GLY 36 H GLY 36 -5.953 -5.910 -15.352 287 HA2 GLY 36 1HA GLY 36 -5.695 -7.452 -17.126 288 HA3 GLY 36 2HA GLY 36 -4.139 -7.948 -16.482 289 H ASN 37 H ASN 37 -5.256 -8.296 -13.740 290 HA ASN 37 HA ASN 37 -6.197 -11.018 -13.978 291 HB2 ASN 37 1HB ASN 37 -5.732 -9.241 -11.538 292 HB3 ASN 37 2HB ASN 37 -6.275 -10.917 -11.433 293 HD21 ASN 37 1HD2 ASN 37 -2.869 -11.684 -11.084 294 HD22 ASN 37 2HD2 ASN 37 -4.404 -11.546 -10.308 295 H GLY 38 H GLY 38 -7.746 -7.966 -13.824 296 HA2 GLY 38 1HA GLY 38 -10.278 -8.555 -14.400 297 HA3 GLY 38 2HA GLY 38 -10.267 -8.934 -12.677 298 H CYS 39 H CYS 39 -8.558 -6.974 -11.738 299 HA CYS 39 HA CYS 39 -10.255 -4.678 -11.607 300 HB2 CYS 39 2HB CYS 39 -7.477 -5.163 -10.452 301 HB3 CYS 39 1HB CYS 39 -8.531 -3.812 -10.025 302 HA PRO 40 HA PRO 40 -8.092 -2.599 -15.107 303 HB2 PRO 40 2HB PRO 40 -9.602 -0.305 -15.201 304 HB3 PRO 40 1HB PRO 40 -10.170 -1.852 -15.859 305 HG2 PRO 40 2HG PRO 40 -10.817 -0.589 -13.218 306 HG3 PRO 40 1HG PRO 40 -11.905 -1.385 -14.379 307 HD2 PRO 40 2HD PRO 40 -10.983 -2.644 -12.161 308 HD3 PRO 40 1HD PRO 40 -11.320 -3.523 -13.671 309 H LYS 41 H LYS 41 -8.366 -1.569 -11.824 310 HA LYS 41 HA LYS 41 -6.433 0.649 -12.163 311 HB2 LYS 41 1HB LYS 41 -8.006 -0.115 -9.671 312 HB3 LYS 41 2HB LYS 41 -7.076 1.359 -9.914 313 HG2 LYS 41 1HG LYS 41 -8.694 1.989 -11.743 314 HG3 LYS 41 2HG LYS 41 -9.668 0.593 -11.295 315 HD2 LYS 41 1HD LYS 41 -9.028 2.973 -9.503 316 HD3 LYS 41 2HD LYS 41 -10.564 2.670 -10.306 317 HE2 LYS 41 1HE LYS 41 -10.769 0.544 -8.949 318 HE3 LYS 41 2HE LYS 41 -9.330 1.037 -8.056 319 HZ1 LYS 41 1HZ LYS 41 -11.890 2.522 -8.190 320 HZ2 LYS 41 2HZ LYS 41 -10.502 3.059 -7.392 321 HZ3 LYS 41 3HZ LYS 41 -11.296 1.661 -6.861 322 H THR 42 H THR 42 -4.446 0.593 -11.128 323 HA THR 42 HA THR 42 -3.496 -1.876 -9.904 324 HB THR 42 HB THR 42 -2.055 0.791 -10.238 325 HG1 THR 42 1HG THR 42 -2.863 -0.768 -12.120 326 HG21 THR 42 1HG2 THR 42 -0.950 -2.004 -9.717 327 HG22 THR 42 2HG2 THR 42 -0.991 -0.689 -8.543 328 HG23 THR 42 3HG2 THR 42 0.025 -0.554 -9.979 329 H GLU 43 H GLU 43 -3.872 -2.225 -7.777 330 HA GLU 43 HA GLU 43 -4.313 0.083 -5.949 331 HB2 GLU 43 1HB GLU 43 -5.848 -2.537 -6.144 332 HB3 GLU 43 2HB GLU 43 -5.944 -1.501 -4.723 333 HG2 GLU 43 1HG GLU 43 -6.856 0.321 -6.059 334 HG3 GLU 43 2HG GLU 43 -6.655 -0.610 -7.534 335 H VAL 44 H VAL 44 -2.678 0.213 -4.617 336 HA VAL 44 HA VAL 44 -1.269 -2.180 -3.652 337 HB VAL 44 HB VAL 44 -0.533 0.780 -3.400 338 HG11 VAL 44 1HG1 VAL 44 1.700 -0.100 -2.703 339 HG12 VAL 44 2HG1 VAL 44 1.027 -1.723 -2.663 340 HG13 VAL 44 3HG1 VAL 44 0.421 -0.487 -1.558 341 HG21 VAL 44 1HG2 VAL 44 1.189 0.286 -5.127 342 HG22 VAL 44 2HG2 VAL 44 -0.440 0.028 -5.743 343 HG23 VAL 44 3HG2 VAL 44 0.560 -1.352 -5.285 344 H VAL 45 H VAL 45 -2.262 -3.028 -1.910 345 HA VAL 45 HA VAL 45 -3.936 -1.337 -0.176 346 HB VAL 45 HB VAL 45 -3.714 -4.384 -0.290 347 HG11 VAL 45 1HG1 VAL 45 -5.813 -4.405 0.987 348 HG12 VAL 45 2HG1 VAL 45 -5.792 -2.643 1.072 349 HG13 VAL 45 3HG1 VAL 45 -4.535 -3.580 1.885 350 HG21 VAL 45 1HG2 VAL 45 -5.857 -4.341 -1.527 351 HG22 VAL 45 2HG2 VAL 45 -4.580 -3.520 -2.423 352 HG23 VAL 45 3HG2 VAL 45 -5.803 -2.577 -1.570 353 H ILE 46 H ILE 46 -2.818 -0.453 1.459 354 HA ILE 46 HA ILE 46 -0.698 -1.905 2.902 355 HB ILE 46 HB ILE 46 -1.662 0.993 3.158 356 HG12 ILE 46 1HG1 ILE 46 0.833 -0.107 1.788 357 HG13 ILE 46 2HG1 ILE 46 -0.573 0.562 0.971 358 HG21 ILE 46 1HG2 ILE 46 0.757 -0.333 4.428 359 HG22 ILE 46 2HG2 ILE 46 -0.697 0.203 5.272 360 HG23 ILE 46 3HG2 ILE 46 0.367 1.385 4.511 361 HD11 ILE 46 1HD1 ILE 46 1.384 2.059 2.712 362 HD12 ILE 46 2HD1 ILE 46 -0.087 2.756 2.022 363 HD13 ILE 46 3HD1 ILE 46 1.186 2.162 0.966 364 H TRP 47 H TRP 47 -1.399 -3.115 4.618 365 HA TRP 47 HA TRP 47 -3.649 -2.251 6.310 366 HB2 TRP 47 2HB TRP 47 -1.763 -4.655 6.493 367 HB3 TRP 47 1HB TRP 47 -3.039 -4.315 7.663 368 HD1 TRP 47 1HD TRP 47 -5.560 -4.801 6.911 369 HE1 TRP 47 1HE TRP 47 -6.559 -6.148 4.960 370 HE3 TRP 47 3HE TRP 47 -1.376 -5.240 4.006 371 HZ2 TRP 47 2HZ TRP 47 -5.685 -7.261 2.517 372 HZ3 TRP 47 3HZ TRP 47 -1.542 -6.447 1.875 373 HH2 TRP 47 2HH TRP 47 -3.652 -7.431 1.152 374 H THR 48 H THR 48 -3.303 -0.995 8.052 375 HA THR 48 HA THR 48 -0.595 -0.525 9.094 376 HB THR 48 HB THR 48 -1.740 1.149 10.575 377 HG1 THR 48 1HG THR 48 -4.121 0.771 9.119 378 HG21 THR 48 1HG2 THR 48 -2.405 2.740 8.813 379 HG22 THR 48 2HG2 THR 48 -2.528 1.423 7.646 380 HG23 THR 48 3HG2 THR 48 -0.956 1.857 8.323 381 H LYS 49 H LYS 49 -0.452 -0.579 11.560 382 HA LYS 49 HA LYS 49 -0.996 -3.222 12.518 383 HB2 LYS 49 1HB LYS 49 0.258 -2.564 14.494 384 HB3 LYS 49 2HB LYS 49 1.080 -1.933 13.075 385 HG2 LYS 49 1HG LYS 49 0.123 0.314 13.527 386 HG3 LYS 49 2HG LYS 49 -0.678 -0.326 14.961 387 HD2 LYS 49 1HD LYS 49 2.319 -0.113 14.486 388 HD3 LYS 49 2HD LYS 49 1.359 0.828 15.627 389 HE2 LYS 49 1HE LYS 49 0.872 -1.235 16.914 390 HE3 LYS 49 2HE LYS 49 1.831 -2.173 15.767 391 HZ1 LYS 49 1HZ LYS 49 3.776 -0.901 16.402 392 HZ2 LYS 49 2HZ LYS 49 3.091 -1.647 17.753 393 HZ3 LYS 49 3HZ LYS 49 2.866 0.008 17.498 394 H MET 50 H MET 50 -2.825 -0.392 12.506 395 HA MET 50 HA MET 50 -4.535 -1.012 14.792 396 HB2 MET 50 1HB MET 50 -4.817 1.093 12.590 397 HB3 MET 50 2HB MET 50 -5.771 1.015 14.065 398 HG2 MET 50 1HG MET 50 -3.798 1.513 15.411 399 HG3 MET 50 2HG MET 50 -2.789 1.478 13.964 400 HE1 MET 50 1HE MET 50 -4.737 3.046 11.813 401 HE2 MET 50 2HE MET 50 -2.988 3.212 11.976 402 HE3 MET 50 3HE MET 50 -4.014 4.643 12.001 403 H LYS 51 H LYS 51 -4.124 -2.473 11.946 404 HA LYS 51 HA LYS 51 -5.224 -3.767 10.482 405 HB2 LYS 51 1HB LYS 51 -7.514 -3.573 12.478 406 HB3 LYS 51 2HB LYS 51 -7.527 -4.638 11.078 407 HG2 LYS 51 1HG LYS 51 -5.541 -5.829 11.978 408 HG3 LYS 51 2HG LYS 51 -5.563 -4.765 13.383 409 HD2 LYS 51 1HD LYS 51 -6.587 -6.806 14.074 410 HD3 LYS 51 2HD LYS 51 -7.902 -5.648 13.894 411 HE2 LYS 51 1HE LYS 51 -7.151 -7.675 11.761 412 HE3 LYS 51 2HE LYS 51 -8.342 -7.987 13.013 413 HZ1 LYS 51 1HZ LYS 51 -8.512 -5.936 10.877 414 HZ2 LYS 51 2HZ LYS 51 -9.599 -6.045 12.164 415 HZ3 LYS 51 3HZ LYS 51 -9.474 -7.315 11.060 416 H LYS 52 H LYS 52 -5.639 -0.662 10.615 417 HA LYS 52 HA LYS 52 -8.044 -0.242 9.094 418 HB2 LYS 52 1HB LYS 52 -6.103 1.470 10.438 419 HB3 LYS 52 2HB LYS 52 -6.260 2.025 8.778 420 HG2 LYS 52 1HG LYS 52 -7.807 3.257 10.117 421 HG3 LYS 52 2HG LYS 52 -8.745 2.150 9.116 422 HD2 LYS 52 1HD LYS 52 -8.845 0.589 11.113 423 HD3 LYS 52 2HD LYS 52 -8.087 1.860 12.072 424 HE2 LYS 52 1HE LYS 52 -10.776 2.007 10.673 425 HE3 LYS 52 2HE LYS 52 -10.500 1.900 12.410 426 HZ1 LYS 52 1HZ LYS 52 -10.991 4.149 11.786 427 HZ2 LYS 52 2HZ LYS 52 -9.745 4.168 10.650 428 HZ3 LYS 52 3HZ LYS 52 -9.382 4.066 12.296 429 H VAL 53 H VAL 53 -8.277 -0.564 7.029 430 HA VAL 53 HA VAL 53 -6.061 -1.328 5.308 431 HB VAL 53 HB VAL 53 -9.076 -1.250 4.766 432 HG11 VAL 53 1HG1 VAL 53 -8.617 -2.759 2.888 433 HG12 VAL 53 2HG1 VAL 53 -6.891 -2.695 3.241 434 HG13 VAL 53 3HG1 VAL 53 -7.731 -1.243 2.695 435 HG21 VAL 53 1HG2 VAL 53 -8.511 -2.766 6.644 436 HG22 VAL 53 2HG2 VAL 53 -7.372 -3.625 5.608 437 HG23 VAL 53 3HG2 VAL 53 -9.096 -3.661 5.239 438 H ILE 54 H ILE 54 -4.962 0.476 4.705 439 HA ILE 54 HA ILE 54 -6.370 2.722 3.362 440 HB ILE 54 HB ILE 54 -3.501 2.574 4.451 441 HG12 ILE 54 1HG1 ILE 54 -5.900 4.114 5.551 442 HG13 ILE 54 2HG1 ILE 54 -5.203 2.671 6.272 443 HG21 ILE 54 1HG2 ILE 54 -3.651 4.045 2.475 444 HG22 ILE 54 2HG2 ILE 54 -3.345 4.982 3.933 445 HG23 ILE 54 3HG2 ILE 54 -4.963 4.952 3.235 446 HD11 ILE 54 1HD1 ILE 54 -3.878 5.373 6.027 447 HD12 ILE 54 2HD1 ILE 54 -3.111 3.921 6.679 448 HD13 ILE 54 3HD1 ILE 54 -4.514 4.617 7.487 449 H CYS 55 H CYS 55 -6.428 2.350 1.189 450 HA CYS 55 HA CYS 55 -4.155 0.978 -0.127 451 HB2 CYS 55 2HB CYS 55 -5.996 0.899 -2.065 452 HB3 CYS 55 1HB CYS 55 -6.013 -0.266 -0.749 453 H VAL 56 H VAL 56 -3.157 1.909 -1.818 454 HA VAL 56 HA VAL 56 -3.567 4.786 -2.313 455 HB VAL 56 HB VAL 56 -1.093 5.135 -2.129 456 HG11 VAL 56 1HG1 VAL 56 -2.357 4.062 0.422 457 HG12 VAL 56 2HG1 VAL 56 -2.407 5.725 -0.165 458 HG13 VAL 56 3HG1 VAL 56 -0.877 5.021 0.356 459 HG21 VAL 56 1HG2 VAL 56 0.388 3.466 -1.131 460 HG22 VAL 56 2HG2 VAL 56 -0.377 2.785 -2.568 461 HG23 VAL 56 3HG2 VAL 56 -0.946 2.323 -0.964 462 H ASN 57 H ASN 57 -2.340 5.536 -4.199 463 HA ASN 57 HA ASN 57 -2.454 3.666 -6.427 464 HB2 ASN 57 1HB ASN 57 -2.107 5.643 -7.836 465 HB3 ASN 57 2HB ASN 57 -3.363 5.974 -6.651 466 HD21 ASN 57 1HD2 ASN 57 -0.895 8.830 -6.946 467 HD22 ASN 57 2HD2 ASN 57 -1.736 7.882 -8.125 468 HA PRO 58 HA PRO 58 1.947 2.734 -6.575 469 HB2 PRO 58 2HB PRO 58 2.474 2.528 -9.266 470 HB3 PRO 58 1HB PRO 58 1.506 1.327 -8.388 471 HG2 PRO 58 2HG PRO 58 0.534 3.655 -10.031 472 HG3 PRO 58 1HG PRO 58 0.024 1.950 -10.089 473 HD2 PRO 58 2HD PRO 58 -1.434 3.751 -8.729 474 HD3 PRO 58 1HD PRO 58 -1.205 2.105 -8.088 475 H ARG 59 H ARG 59 0.758 5.596 -8.188 476 HA ARG 59 HA ARG 59 3.299 6.648 -9.014 477 HB2 ARG 59 1HB ARG 59 0.571 7.974 -8.832 478 HB3 ARG 59 2HB ARG 59 1.991 8.709 -9.564 479 HG2 ARG 59 1HG ARG 59 2.068 6.812 -11.210 480 HG3 ARG 59 2HG ARG 59 0.547 6.220 -10.532 481 HD2 ARG 59 1HD ARG 59 0.182 7.539 -12.580 482 HD3 ARG 59 2HD ARG 59 -0.578 8.305 -11.182 483 HE ARG 59 HE ARG 59 1.801 9.555 -11.269 484 HH11 ARG 59 1HH1 ARG 59 -0.566 8.985 -13.807 485 HH12 ARG 59 2HH1 ARG 59 -0.142 10.424 -14.683 486 HH21 ARG 59 1HH2 ARG 59 2.326 11.449 -12.394 487 HH22 ARG 59 2HH2 ARG 59 1.505 11.825 -13.877 488 H ALA 60 H ALA 60 1.937 6.486 -5.942 489 HA ALA 60 HA ALA 60 2.906 8.892 -4.770 490 HB1 ALA 60 1HB ALA 60 1.279 7.451 -3.631 491 HB2 ALA 60 2HB ALA 60 2.723 7.634 -2.632 492 HB3 ALA 60 3HB ALA 60 2.459 6.143 -3.541 493 H LYS 61 H LYS 61 5.012 9.513 -4.642 494 HA LYS 61 HA LYS 61 7.147 7.780 -5.491 495 HB2 LYS 61 1HB LYS 61 7.303 10.621 -4.401 496 HB3 LYS 61 2HB LYS 61 8.622 9.754 -5.179 497 HG2 LYS 61 1HG LYS 61 7.235 9.636 -7.280 498 HG3 LYS 61 2HG LYS 61 6.025 10.638 -6.471 499 HD2 LYS 61 1HD LYS 61 7.415 12.057 -7.888 500 HD3 LYS 61 2HD LYS 61 7.742 12.443 -6.197 501 HE2 LYS 61 1HE LYS 61 9.795 11.063 -6.286 502 HE3 LYS 61 2HE LYS 61 9.464 10.676 -7.975 503 HZ1 LYS 61 1HZ LYS 61 11.096 12.464 -7.687 504 HZ2 LYS 61 2HZ LYS 61 9.921 13.429 -6.945 505 HZ3 LYS 61 3HZ LYS 61 9.741 12.963 -8.561 506 H TRP 62 H TRP 62 6.113 9.130 -2.376 507 HA TRP 62 HA TRP 62 8.246 8.287 -0.742 508 HB2 TRP 62 2HB TRP 62 6.640 8.412 1.151 509 HB3 TRP 62 1HB TRP 62 6.465 9.797 0.085 510 HD1 TRP 62 1HD TRP 62 4.126 10.086 -1.173 511 HE1 TRP 62 1HE TRP 62 1.832 8.988 -0.874 512 HE3 TRP 62 3HE TRP 62 5.455 6.127 1.815 513 HZ2 TRP 62 2HZ TRP 62 0.722 6.789 0.420 514 HZ3 TRP 62 3HZ TRP 62 3.684 4.572 2.540 515 HH2 TRP 62 2HH TRP 62 1.369 4.892 1.848 516 H LEU 63 H LEU 63 5.446 6.608 -1.979 517 HA LEU 63 HA LEU 63 5.697 4.139 -0.626 518 HB2 LEU 63 1HB LEU 63 3.613 4.858 -1.669 519 HB3 LEU 63 2HB LEU 63 4.391 4.924 -3.240 520 HG LEU 63 HG LEU 63 4.731 2.388 -3.044 521 HD11 LEU 63 1HD1 LEU 63 3.285 1.141 -1.542 522 HD12 LEU 63 2HD1 LEU 63 2.724 2.637 -0.801 523 HD13 LEU 63 3HD1 LEU 63 4.410 2.145 -0.633 524 HD21 LEU 63 1HD2 LEU 63 1.909 3.460 -3.218 525 HD22 LEU 63 2HD2 LEU 63 2.464 1.901 -3.813 526 HD23 LEU 63 3HD2 LEU 63 3.083 3.376 -4.529 527 H GLN 64 H GLN 64 6.938 5.374 -3.743 528 HA GLN 64 HA GLN 64 7.952 2.987 -4.789 529 HB2 GLN 64 1HB GLN 64 8.777 5.872 -5.230 530 HB3 GLN 64 2HB GLN 64 9.583 4.552 -6.067 531 HG2 GLN 64 1HG GLN 64 6.639 5.248 -6.254 532 HG3 GLN 64 2HG GLN 64 7.869 5.525 -7.488 533 HE21 GLN 64 1HE2 GLN 64 5.881 2.361 -8.108 534 HE22 GLN 64 2HE2 GLN 64 5.414 3.959 -7.684 535 H ARG 65 H ARG 65 9.373 5.207 -2.465 536 HA ARG 65 HA ARG 65 11.983 4.147 -2.293 537 HB2 ARG 65 1HB ARG 65 10.270 5.430 -0.125 538 HB3 ARG 65 2HB ARG 65 11.998 5.121 0.026 539 HG2 ARG 65 1HG ARG 65 12.445 6.662 -1.848 540 HG3 ARG 65 2HG ARG 65 10.712 6.970 -2.007 541 HD2 ARG 65 1HD ARG 65 11.812 8.773 -0.754 542 HD3 ARG 65 2HD ARG 65 10.648 7.913 0.260 543 HE ARG 65 HE ARG 65 13.522 7.255 0.376 544 HH11 ARG 65 1HH1 ARG 65 10.639 8.445 2.052 545 HH12 ARG 65 2HH1 ARG 65 11.387 8.362 3.618 546 HH21 ARG 65 1HH2 ARG 65 14.446 7.106 2.420 547 HH22 ARG 65 2HH2 ARG 65 13.547 7.602 3.824 548 H LEU 66 H LEU 66 8.969 3.300 -0.630 549 HA LEU 66 HA LEU 66 9.993 1.245 1.050 550 HB2 LEU 66 1HB LEU 66 7.144 1.594 0.016 551 HB3 LEU 66 2HB LEU 66 7.622 0.587 1.370 552 HG LEU 66 HG LEU 66 7.733 3.629 1.292 553 HD11 LEU 66 1HD1 LEU 66 5.459 2.763 1.461 554 HD12 LEU 66 2HD1 LEU 66 5.951 3.518 2.974 555 HD13 LEU 66 3HD1 LEU 66 5.918 1.757 2.837 556 HD21 LEU 66 1HD2 LEU 66 9.574 2.873 2.659 557 HD22 LEU 66 2HD2 LEU 66 8.543 1.720 3.507 558 HD23 LEU 66 3HD2 LEU 66 8.294 3.452 3.721 559 H LEU 67 H LEU 67 8.508 1.248 -2.160 560 HA LEU 67 HA LEU 67 8.247 -1.548 -2.483 561 HB2 LEU 67 1HB LEU 67 8.430 0.605 -4.641 562 HB3 LEU 67 2HB LEU 67 7.943 -1.058 -4.916 563 HG LEU 67 HG LEU 67 6.414 0.975 -3.241 564 HD11 LEU 67 1HD1 LEU 67 6.262 1.456 -5.624 565 HD12 LEU 67 2HD1 LEU 67 4.717 0.877 -5.011 566 HD13 LEU 67 3HD1 LEU 67 5.749 -0.200 -5.957 567 HD21 LEU 67 1HD2 LEU 67 4.614 -0.733 -3.134 568 HD22 LEU 67 2HD2 LEU 67 6.070 -1.235 -2.287 569 HD23 LEU 67 3HD2 LEU 67 5.700 -1.912 -3.875 570 H ARG 68 H ARG 68 10.908 0.695 -3.180 571 HA ARG 68 HA ARG 68 12.530 -1.355 -4.463 572 HB2 ARG 68 1HB ARG 68 13.256 1.476 -3.584 573 HB3 ARG 68 2HB ARG 68 14.311 0.402 -4.498 574 HG2 ARG 68 1HG ARG 68 12.611 0.359 -6.344 575 HG3 ARG 68 2HG ARG 68 11.657 1.535 -5.437 576 HD2 ARG 68 1HD ARG 68 12.939 2.701 -7.130 577 HD3 ARG 68 2HD ARG 68 13.591 3.124 -5.545 578 HE ARG 68 HE ARG 68 15.036 0.936 -6.546 579 HH11 ARG 68 1HH1 ARG 68 14.631 4.360 -7.315 580 HH12 ARG 68 2HH1 ARG 68 16.209 4.499 -8.028 581 HH21 ARG 68 1HH2 ARG 68 17.064 1.137 -7.512 582 HH22 ARG 68 2HH2 ARG 68 17.588 2.673 -8.141 583 H HIS 69 H HIS 69 12.228 -0.006 -1.200 584 HA HIS 69 HA HIS 69 14.657 -1.076 -0.140 585 HB2 HIS 69 1HB HIS 69 12.173 0.079 1.133 586 HB3 HIS 69 2HB HIS 69 13.283 -0.830 2.152 587 HD1 HIS 69 HD1 HIS 69 12.691 2.517 0.969 588 HD2 HIS 69 HD2 HIS 69 16.051 0.298 1.989 589 HE1 HIS 69 HE1 HIS 69 14.502 4.201 1.404 590 HE2 HIS 69 HE2 HIS 69 16.493 2.838 2.103 591 H VAL 70 H VAL 70 11.344 -2.365 -0.334 592 HA VAL 70 HA VAL 70 11.911 -4.747 1.168 593 HB VAL 70 HB VAL 70 9.742 -5.607 0.449 594 HG11 VAL 70 1HG1 VAL 70 9.583 -2.652 1.146 595 HG12 VAL 70 2HG1 VAL 70 9.748 -3.989 2.284 596 HG13 VAL 70 3HG1 VAL 70 8.274 -3.824 1.331 597 HG21 VAL 70 1HG2 VAL 70 9.734 -4.945 -1.907 598 HG22 VAL 70 2HG2 VAL 70 9.603 -3.245 -1.465 599 HG23 VAL 70 3HG2 VAL 70 8.274 -4.352 -1.114 600 H GLN 71 H GLN 71 12.735 -3.807 -1.996 601 HA GLN 71 HA GLN 71 13.115 -6.540 -3.006 602 HB2 GLN 71 1HB GLN 71 13.784 -3.832 -4.252 603 HB3 GLN 71 2HB GLN 71 13.961 -5.384 -5.067 604 HG2 GLN 71 1HG GLN 71 11.540 -5.728 -4.988 605 HG3 GLN 71 2HG GLN 71 11.340 -4.230 -4.078 606 HE21 GLN 71 1HE2 GLN 71 10.591 -2.756 -7.191 607 HE22 GLN 71 2HE2 GLN 71 10.029 -3.231 -5.627 608 H SER 72 H SER 72 14.457 -6.495 -0.810 609 HA SER 72 HA SER 72 16.408 -6.748 0.293 610 HB2 SER 72 1HB SER 72 18.095 -8.115 -0.979 611 HB3 SER 72 2HB SER 72 16.442 -8.712 -1.107 612 HG SER 72 HG SER 72 17.292 -6.946 -3.079 613 H LYS 73 H LYS 73 16.678 -4.408 0.600 614 HA LYS 73 HA LYS 73 19.064 -3.316 -0.772 615 HB2 LYS 73 1HB LYS 73 16.905 -1.991 0.891 616 HB3 LYS 73 2HB LYS 73 18.403 -1.168 0.498 617 HG2 LYS 73 1HG LYS 73 16.337 -2.153 -1.478 618 HG3 LYS 73 2HG LYS 73 16.591 -0.485 -0.977 619 HD2 LYS 73 1HD LYS 73 17.898 -0.317 -2.849 620 HD3 LYS 73 2HD LYS 73 19.117 -1.172 -1.904 621 HE2 LYS 73 1HE LYS 73 18.795 -2.180 -4.146 622 HE3 LYS 73 2HE LYS 73 18.383 -3.312 -2.857 623 HZ1 LYS 73 1HZ LYS 73 16.770 -3.270 -4.722 624 HZ2 LYS 73 2HZ LYS 73 16.381 -1.674 -4.328 625 HZ3 LYS 73 3HZ LYS 73 16.072 -2.918 -3.228 626 H SER 74 H SER 74 20.828 -2.559 0.427 627 HA SER 74 HA SER 74 21.509 -4.100 2.749 628 HB2 SER 74 1HB SER 74 23.089 -1.880 1.357 629 HB3 SER 74 2HB SER 74 23.733 -3.084 2.467 630 HG SER 74 HG SER 74 22.760 -4.627 0.815 631 H LEU 75 H LEU 75 21.926 -3.367 4.840 632 HA LEU 75 HA LEU 75 20.401 -1.097 5.770 633 HB2 LEU 75 1HB LEU 75 20.505 -3.219 7.040 634 HB3 LEU 75 2HB LEU 75 22.237 -3.024 7.257 635 HG LEU 75 HG LEU 75 21.808 -0.967 8.631 636 HD11 LEU 75 1HD1 LEU 75 19.659 -0.265 7.710 637 HD12 LEU 75 2HD1 LEU 75 19.544 -0.477 9.453 638 HD13 LEU 75 3HD1 LEU 75 18.878 -1.704 8.374 639 HD21 LEU 75 1HD2 LEU 75 21.002 -2.135 10.640 640 HD22 LEU 75 2HD2 LEU 75 22.155 -3.118 9.741 641 HD23 LEU 75 3HD2 LEU 75 20.429 -3.474 9.640 642 H SER 76 H SER 76 21.156 0.934 5.986 643 HA SER 76 HA SER 76 23.862 1.679 5.422 644 HB2 SER 76 1HB SER 76 22.989 4.011 5.970 645 HB3 SER 76 2HB SER 76 22.079 3.157 4.724 646 HG SER 76 HG SER 76 21.383 3.575 7.438 647 H SER 77 H SER 77 25.457 1.321 6.848 648 HA SER 77 HA SER 77 25.149 0.818 9.615 649 HB2 SER 77 1HB SER 77 27.713 1.532 8.129 650 HB3 SER 77 2HB SER 77 27.583 0.628 9.639 651 HG SER 77 HG SER 77 27.520 -0.299 7.145 652 H THR 78 H THR 78 25.160 2.172 11.351 653 HA THR 78 HA THR 78 25.545 5.068 10.897 654 HB THR 78 HB THR 78 24.092 5.293 12.973 655 HG1 THR 78 1HG THR 78 22.792 3.082 13.054 656 HG21 THR 78 1HG2 THR 78 22.828 3.817 10.627 657 HG22 THR 78 2HG2 THR 78 23.097 5.560 10.729 658 HG23 THR 78 3HG2 THR 78 21.965 4.778 11.831 659 HA PRO 79 HA PRO 79 29.196 4.463 13.732 660 HB2 PRO 79 2HB PRO 79 29.726 7.256 12.711 661 HB3 PRO 79 1HB PRO 79 30.821 5.856 12.799 662 HG2 PRO 79 2HG PRO 79 29.868 6.629 10.446 663 HG3 PRO 79 1HG PRO 79 29.986 4.893 10.834 664 HD2 PRO 79 2HD PRO 79 27.540 6.679 10.927 665 HD3 PRO 79 1HD PRO 79 27.725 5.048 10.234 666 H GLN 80 H GLN 80 28.939 4.892 15.851 667 HA GLN 80 HA GLN 80 26.806 6.668 16.729 668 HB2 GLN 80 1HB GLN 80 28.564 4.793 18.380 669 HB3 GLN 80 2HB GLN 80 27.070 5.558 18.906 670 HG2 GLN 80 1HG GLN 80 27.320 3.456 16.735 671 HG3 GLN 80 2HG GLN 80 26.712 3.197 18.364 672 HE21 GLN 80 1HE2 GLN 80 23.966 3.688 15.765 673 HE22 GLN 80 2HE2 GLN 80 25.436 2.782 15.719 674 H ALA 81 H ALA 81 27.152 7.910 18.819 675 HA ALA 81 HA ALA 81 29.599 9.568 18.650 676 HB1 ALA 81 1HB ALA 81 28.263 11.290 19.816 677 HB2 ALA 81 2HB ALA 81 26.893 10.180 19.908 678 HB3 ALA 81 3HB ALA 81 27.459 10.756 18.338 679 HA PRO 82 HA PRO 82 30.454 7.631 22.735 680 HB2 PRO 82 2HB PRO 82 33.150 7.871 22.712 681 HB3 PRO 82 1HB PRO 82 32.327 6.671 21.697 682 HG2 PRO 82 2HG PRO 82 33.490 9.312 20.914 683 HG3 PRO 82 1HG PRO 82 33.511 7.764 20.041 684 HD2 PRO 82 2HD PRO 82 31.715 9.854 19.539 685 HD3 PRO 82 1HD PRO 82 31.478 8.165 19.049 686 H VAL 83 H VAL 83 30.947 8.516 24.779 687 HA VAL 83 HA VAL 83 30.793 11.359 25.047 688 HB VAL 83 HB VAL 83 29.789 9.861 26.761 689 HG11 VAL 83 1HG1 VAL 83 31.183 8.878 28.568 690 HG12 VAL 83 2HG1 VAL 83 32.629 9.250 27.628 691 HG13 VAL 83 3HG1 VAL 83 31.446 8.102 27.011 692 HG21 VAL 83 1HG2 VAL 83 30.423 11.215 28.738 693 HG22 VAL 83 2HG2 VAL 83 30.200 12.212 27.300 694 HG23 VAL 83 3HG2 VAL 83 31.829 11.828 27.859 695 H SER 84 H SER 84 32.380 12.808 25.071 696 HA SER 84 HA SER 84 35.103 12.026 24.566 697 HB2 SER 84 1HB SER 84 35.477 14.538 24.448 698 HB3 SER 84 2HB SER 84 34.243 13.923 23.347 699 HG SER 84 HG SER 84 33.857 15.888 24.835 700 H LYS 85 H LYS 85 33.821 14.349 27.006 701 HA LYS 85 HA LYS 85 35.373 13.153 29.151 702 HB2 LYS 85 1HB LYS 85 36.745 15.144 29.622 703 HB3 LYS 85 2HB LYS 85 37.075 14.549 27.998 704 HG2 LYS 85 1HG LYS 85 35.732 16.331 27.008 705 HG3 LYS 85 2HG LYS 85 35.204 16.861 28.605 706 HD2 LYS 85 1HD LYS 85 36.884 18.403 27.821 707 HD3 LYS 85 2HD LYS 85 37.576 17.468 29.143 708 HE2 LYS 85 1HE LYS 85 38.916 16.167 27.621 709 HE3 LYS 85 2HE LYS 85 38.053 16.807 26.216 710 HZ1 LYS 85 1HZ LYS 85 40.238 17.835 26.574 711 HZ2 LYS 85 2HZ LYS 85 39.717 18.434 28.066 712 HZ3 LYS 85 3HZ LYS 85 38.980 18.961 26.642 713 H ARG 86 H ARG 86 35.236 14.772 31.114 714 HA ARG 86 HA ARG 86 32.386 15.467 31.471 715 HB2 ARG 86 1HB ARG 86 34.524 14.731 33.527 716 HB3 ARG 86 2HB ARG 86 32.819 14.991 33.873 717 HG2 ARG 86 1HG ARG 86 32.232 13.039 32.472 718 HG3 ARG 86 2HG ARG 86 33.941 12.787 32.126 719 HD2 ARG 86 1HD ARG 86 34.357 12.369 34.530 720 HD3 ARG 86 2HD ARG 86 32.636 12.595 34.861 721 HE ARG 86 HE ARG 86 33.605 10.464 33.047 722 HH11 ARG 86 1HH1 ARG 86 31.740 11.383 35.889 723 HH12 ARG 86 2HH1 ARG 86 31.075 9.798 36.112 724 HH21 ARG 86 1HH2 ARG 86 32.715 8.382 33.348 725 HH22 ARG 86 2HH2 ARG 86 31.629 8.097 34.671 726 H ARG 87 H ARG 87 32.265 17.162 33.477 727 HA ARG 87 HA ARG 87 33.288 19.641 32.464 728 HB2 ARG 87 1HB ARG 87 31.619 18.962 34.918 729 HB3 ARG 87 2HB ARG 87 32.176 20.602 34.606 730 HG2 ARG 87 1HG ARG 87 29.892 20.398 33.862 731 HG3 ARG 87 2HG ARG 87 30.932 20.600 32.453 732 HD2 ARG 87 1HD ARG 87 30.766 18.198 31.954 733 HD3 ARG 87 2HD ARG 87 29.817 17.940 33.419 734 HE ARG 87 HE ARG 87 27.961 18.810 32.384 735 HH11 ARG 87 1HH1 ARG 87 30.721 19.314 30.253 736 HH12 ARG 87 2HH1 ARG 87 29.727 19.759 28.903 737 HH21 ARG 87 1HH2 ARG 87 26.695 19.378 30.628 738 HH22 ARG 87 2HH2 ARG 87 27.444 19.794 29.115 739 H ALA 88 H ALA 88 34.615 21.168 33.558 740 HA ALA 88 HA ALA 88 36.103 20.487 35.958 741 HB1 ALA 88 1HB ALA 88 37.572 20.759 33.305 742 HB2 ALA 88 2HB ALA 88 37.393 19.272 34.234 743 HB3 ALA 88 3HB ALA 88 38.333 20.610 34.893 744 H ALA 89 H ALA 89 37.748 22.341 36.438 745 HA ALA 89 HA ALA 89 36.412 24.917 35.965 746 HB1 ALA 89 1HB ALA 89 37.886 25.736 37.787 747 HB2 ALA 89 2HB ALA 89 38.682 24.161 37.847 748 HB3 ALA 89 3HB ALA 89 36.979 24.305 38.279 Start of MODEL 4 1 H1 MET 1 1H MET 1 8.307 -4.802 6.438 2 H2 MET 1 2H MET 1 7.107 -5.505 7.393 3 H3 MET 1 3H MET 1 7.385 -3.841 7.479 4 HA MET 1 HA MET 1 5.400 -4.319 6.225 5 HB2 MET 1 1HB MET 1 7.670 -3.302 4.455 6 HB3 MET 1 2HB MET 1 5.955 -3.043 4.159 7 HG2 MET 1 1HG MET 1 6.928 -1.029 5.061 8 HG3 MET 1 2HG MET 1 5.830 -1.716 6.261 9 HE1 MET 1 1HE MET 1 8.150 0.524 6.851 10 HE2 MET 1 2HE MET 1 8.742 -0.074 8.403 11 HE3 MET 1 3HE MET 1 7.011 -0.058 8.068 12 H ILE 2 H ILE 2 4.446 -6.068 5.360 13 HA ILE 2 HA ILE 2 5.919 -8.127 3.916 14 HB ILE 2 HB ILE 2 2.902 -7.933 4.376 15 HG12 ILE 2 1HG1 ILE 2 4.037 -7.824 6.561 16 HG13 ILE 2 2HG1 ILE 2 3.203 -9.358 6.384 17 HG21 ILE 2 1HG2 ILE 2 3.474 -9.569 2.652 18 HG22 ILE 2 2HG2 ILE 2 2.892 -10.393 4.101 19 HG23 ILE 2 3HG2 ILE 2 4.621 -10.355 3.742 20 HD11 ILE 2 1HD1 ILE 2 5.323 -9.625 7.474 21 HD12 ILE 2 2HD1 ILE 2 6.165 -8.901 6.105 22 HD13 ILE 2 3HD1 ILE 2 5.340 -10.454 5.919 23 H LEU 3 H LEU 3 5.892 -8.421 1.668 24 HA LEU 3 HA LEU 3 4.294 -6.531 0.030 25 HB2 LEU 3 1HB LEU 3 6.734 -6.297 -0.298 26 HB3 LEU 3 2HB LEU 3 6.864 -8.006 -0.675 27 HG LEU 3 HG LEU 3 5.414 -7.591 -2.729 28 HD11 LEU 3 1HD1 LEU 3 5.813 -4.666 -2.039 29 HD12 LEU 3 2HD1 LEU 3 4.282 -5.546 -2.112 30 HD13 LEU 3 3HD1 LEU 3 5.207 -5.280 -3.582 31 HD21 LEU 3 1HD2 LEU 3 7.207 -6.646 -4.096 32 HD22 LEU 3 2HD2 LEU 3 7.846 -7.790 -2.918 33 HD23 LEU 3 3HD2 LEU 3 8.026 -6.055 -2.646 34 H GLU 4 H GLU 4 2.578 -7.425 -0.910 35 HA GLU 4 HA GLU 4 2.678 -10.230 -1.873 36 HB2 GLU 4 1HB GLU 4 0.139 -8.649 -1.256 37 HB3 GLU 4 2HB GLU 4 0.272 -10.372 -1.623 38 HG2 GLU 4 1HG GLU 4 1.535 -10.640 0.544 39 HG3 GLU 4 2HG GLU 4 1.184 -8.951 0.906 40 H ALA 5 H ALA 5 2.286 -10.544 -4.020 41 HA ALA 5 HA ALA 5 1.511 -8.251 -5.735 42 HB1 ALA 5 1HB ALA 5 2.494 -9.543 -7.606 43 HB2 ALA 5 2HB ALA 5 2.913 -10.845 -6.489 44 HB3 ALA 5 3HB ALA 5 3.684 -9.268 -6.325 45 H HIS 6 H HIS 6 -0.592 -8.268 -6.289 46 HA HIS 6 HA HIS 6 -2.264 -10.593 -5.866 47 HB2 HIS 6 1HB HIS 6 -3.002 -8.275 -5.261 48 HB3 HIS 6 2HB HIS 6 -3.014 -7.852 -6.964 49 HD1 HIS 6 HD1 HIS 6 -4.942 -9.680 -4.360 50 HD2 HIS 6 HD2 HIS 6 -5.235 -8.916 -8.434 51 HE1 HIS 6 HE1 HIS 6 -7.272 -10.330 -4.999 52 HE2 HIS 6 HE2 HIS 6 -7.375 -10.016 -7.493 53 H TYR 7 H TYR 7 -3.004 -11.962 -7.411 54 HA TYR 7 HA TYR 7 -2.850 -11.250 -10.267 55 HB2 TYR 7 2HB TYR 7 -0.888 -12.581 -10.077 56 HB3 TYR 7 1HB TYR 7 -1.620 -13.671 -8.908 57 HD1 TYR 7 1HD TYR 7 -2.354 -15.783 -9.649 58 HD2 TYR 7 2HD TYR 7 -1.998 -12.639 -12.531 59 HE1 TYR 7 1HE TYR 7 -2.949 -17.357 -11.436 60 HE2 TYR 7 2HE TYR 7 -2.591 -14.222 -14.318 61 HH TYR 7 HH TYR 7 -2.465 -16.725 -14.680 62 H THR 8 H THR 8 -4.115 -13.556 -7.840 63 HA THR 8 HA THR 8 -5.860 -14.857 -9.653 64 HB THR 8 HB THR 8 -5.015 -16.007 -7.637 65 HG1 THR 8 1HG THR 8 -6.753 -17.013 -8.447 66 HG21 THR 8 1HG2 THR 8 -6.129 -15.657 -5.439 67 HG22 THR 8 2HG2 THR 8 -6.952 -14.241 -6.093 68 HG23 THR 8 3HG2 THR 8 -5.198 -14.245 -5.930 69 H ASN 9 H ASN 9 -8.209 -15.081 -9.336 70 HA ASN 9 HA ASN 9 -9.316 -12.600 -10.155 71 HB2 ASN 9 1HB ASN 9 -11.311 -13.930 -10.715 72 HB3 ASN 9 2HB ASN 9 -9.845 -14.738 -11.250 73 HD21 ASN 9 1HD2 ASN 9 -10.208 -17.527 -9.113 74 HD22 ASN 9 2HD2 ASN 9 -9.119 -16.602 -10.082 75 H LEU 10 H LEU 10 -8.997 -13.590 -6.997 76 HA LEU 10 HA LEU 10 -11.330 -12.738 -5.704 77 HB2 LEU 10 1HB LEU 10 -8.435 -12.236 -4.867 78 HB3 LEU 10 2HB LEU 10 -9.828 -12.088 -3.804 79 HG LEU 10 HG LEU 10 -8.926 -14.704 -5.091 80 HD11 LEU 10 1HD1 LEU 10 -8.037 -15.333 -2.902 81 HD12 LEU 10 2HD1 LEU 10 -8.431 -13.733 -2.262 82 HD13 LEU 10 3HD1 LEU 10 -7.221 -13.906 -3.538 83 HD21 LEU 10 1HD2 LEU 10 -11.286 -14.811 -4.554 84 HD22 LEU 10 2HD2 LEU 10 -11.008 -14.154 -2.941 85 HD23 LEU 10 3HD2 LEU 10 -10.405 -15.760 -3.364 86 H LYS 11 H LYS 11 -12.376 -10.810 -5.761 87 HA LYS 11 HA LYS 11 -11.289 -8.708 -7.425 88 HB2 LYS 11 1HB LYS 11 -14.015 -9.017 -6.103 89 HB3 LYS 11 2HB LYS 11 -13.582 -7.716 -7.218 90 HG2 LYS 11 1HG LYS 11 -13.138 -9.402 -8.992 91 HG3 LYS 11 2HG LYS 11 -13.607 -10.689 -7.880 92 HD2 LYS 11 1HD LYS 11 -15.464 -10.205 -9.367 93 HD3 LYS 11 2HD LYS 11 -15.891 -9.695 -7.732 94 HE2 LYS 11 1HE LYS 11 -15.330 -7.343 -8.356 95 HE3 LYS 11 2HE LYS 11 -14.974 -7.891 -9.999 96 HZ1 LYS 11 1HZ LYS 11 -17.254 -8.589 -10.244 97 HZ2 LYS 11 2HZ LYS 11 -17.211 -6.964 -9.777 98 HZ3 LYS 11 3HZ LYS 11 -17.605 -8.159 -8.646 99 H CYS 12 H CYS 12 -10.391 -6.884 -6.793 100 HA CYS 12 HA CYS 12 -9.454 -6.457 -4.195 101 HB2 CYS 12 2HB CYS 12 -9.649 -4.397 -6.432 102 HB3 CYS 12 1HB CYS 12 -8.498 -4.397 -5.091 103 H ARG 13 H ARG 13 -10.627 -5.843 -2.463 104 HA ARG 13 HA ARG 13 -12.706 -3.741 -2.738 105 HB2 ARG 13 1HB ARG 13 -12.436 -5.984 -0.693 106 HB3 ARG 13 2HB ARG 13 -13.570 -4.641 -0.527 107 HG2 ARG 13 1HG ARG 13 -14.608 -5.350 -2.720 108 HG3 ARG 13 2HG ARG 13 -13.574 -6.785 -2.693 109 HD2 ARG 13 1HD ARG 13 -15.920 -7.148 -1.819 110 HD3 ARG 13 2HD ARG 13 -14.640 -7.594 -0.685 111 HE ARG 13 HE ARG 13 -15.795 -4.909 -0.458 112 HH11 ARG 13 1HH1 ARG 13 -15.655 -8.163 0.890 113 HH12 ARG 13 2HH1 ARG 13 -16.321 -7.678 2.417 114 HH21 ARG 13 1HH2 ARG 13 -16.568 -4.286 1.576 115 HH22 ARG 13 2HH2 ARG 13 -16.837 -5.483 2.804 116 H CYS 14 H CYS 14 -11.265 -2.046 -2.606 117 HA CYS 14 HA CYS 14 -10.247 -1.385 0.079 118 HB2 CYS 14 2HB CYS 14 -8.472 -2.187 -1.841 119 HB3 CYS 14 1HB CYS 14 -8.554 -0.477 -2.237 120 H SER 15 H SER 15 -10.045 0.976 0.370 121 HA SER 15 HA SER 15 -12.180 2.459 -0.872 122 HB2 SER 15 1HB SER 15 -10.105 3.356 1.174 123 HB3 SER 15 2HB SER 15 -11.607 4.203 0.782 124 HG SER 15 HG SER 15 -12.257 1.705 1.367 125 H GLY 16 H GLY 16 -11.008 2.074 -3.037 126 HA2 GLY 16 1HA GLY 16 -10.021 2.881 -4.916 127 HA3 GLY 16 2HA GLY 16 -10.261 4.472 -4.203 128 H VAL 17 H VAL 17 -8.346 5.430 -4.763 129 HA VAL 17 HA VAL 17 -5.962 4.460 -3.300 130 HB VAL 17 HB VAL 17 -4.503 5.552 -5.015 131 HG11 VAL 17 1HG1 VAL 17 -6.335 3.423 -6.197 132 HG12 VAL 17 2HG1 VAL 17 -4.914 3.134 -5.188 133 HG13 VAL 17 3HG1 VAL 17 -4.724 3.844 -6.790 134 HG21 VAL 17 1HG2 VAL 17 -5.397 6.222 -7.228 135 HG22 VAL 17 2HG2 VAL 17 -6.073 7.218 -5.941 136 HG23 VAL 17 3HG2 VAL 17 -7.046 5.932 -6.659 137 H ILE 18 H ILE 18 -5.108 5.945 -1.906 138 HA ILE 18 HA ILE 18 -6.354 8.638 -1.745 139 HB ILE 18 HB ILE 18 -5.402 7.039 0.690 140 HG12 ILE 18 1HG1 ILE 18 -8.310 7.165 -0.270 141 HG13 ILE 18 2HG1 ILE 18 -7.258 5.772 -0.497 142 HG21 ILE 18 1HG2 ILE 18 -7.308 9.401 0.458 143 HG22 ILE 18 2HG2 ILE 18 -5.634 9.471 1.004 144 HG23 ILE 18 3HG2 ILE 18 -6.828 8.607 1.962 145 HD11 ILE 18 1HD1 ILE 18 -8.160 6.889 2.162 146 HD12 ILE 18 2HD1 ILE 18 -7.088 5.503 1.936 147 HD13 ILE 18 3HD1 ILE 18 -8.756 5.431 1.368 148 H SER 19 H SER 19 -4.892 10.314 -1.536 149 HA SER 19 HA SER 19 -2.068 9.743 -1.944 150 HB2 SER 19 1HB SER 19 -1.972 12.267 -2.309 151 HB3 SER 19 2HB SER 19 -3.054 11.394 -3.396 152 HG SER 19 HG SER 19 -4.771 12.254 -2.412 153 H THR 20 H THR 20 -3.456 9.446 0.800 154 HA THR 20 HA THR 20 -2.061 11.286 2.525 155 HB THR 20 HB THR 20 -2.877 9.718 4.377 156 HG1 THR 20 1HG THR 20 -3.046 7.885 2.802 157 HG21 THR 20 1HG2 THR 20 -4.203 11.701 3.746 158 HG22 THR 20 2HG2 THR 20 -5.258 10.354 4.178 159 HG23 THR 20 3HG2 THR 20 -5.010 10.771 2.479 160 H VAL 21 H VAL 21 0.021 11.103 3.056 161 HA VAL 21 HA VAL 21 1.596 8.740 2.565 162 HB VAL 21 HB VAL 21 2.295 11.262 4.162 163 HG11 VAL 21 1HG1 VAL 21 3.748 9.384 4.839 164 HG12 VAL 21 2HG1 VAL 21 4.666 10.577 3.921 165 HG13 VAL 21 3HG1 VAL 21 4.162 9.069 3.149 166 HG21 VAL 21 1HG2 VAL 21 1.825 11.751 1.788 167 HG22 VAL 21 2HG2 VAL 21 2.989 10.520 1.286 168 HG23 VAL 21 3HG2 VAL 21 3.541 11.963 2.144 169 H VAL 22 H VAL 22 1.302 7.011 3.759 170 HA VAL 22 HA VAL 22 0.175 7.055 6.428 171 HB VAL 22 HB VAL 22 1.164 4.630 4.860 172 HG11 VAL 22 1HG1 VAL 22 0.778 4.129 7.217 173 HG12 VAL 22 2HG1 VAL 22 -0.473 3.361 6.241 174 HG13 VAL 22 3HG1 VAL 22 -0.838 4.838 7.141 175 HG21 VAL 22 1HG2 VAL 22 -1.629 5.840 4.776 176 HG22 VAL 22 2HG2 VAL 22 -1.137 4.323 4.017 177 HG23 VAL 22 3HG2 VAL 22 -0.451 5.848 3.458 178 H GLY 23 H GLY 23 1.279 6.770 8.315 179 HA2 GLY 23 1HA GLY 23 4.028 7.222 8.545 180 HA3 GLY 23 2HA GLY 23 2.988 6.612 9.819 181 H LEU 24 H LEU 24 5.758 5.897 8.305 182 HA LEU 24 HA LEU 24 5.505 3.261 7.339 183 HB2 LEU 24 1HB LEU 24 8.061 4.404 8.544 184 HB3 LEU 24 2HB LEU 24 7.927 3.105 7.379 185 HG LEU 24 HG LEU 24 8.698 4.836 6.036 186 HD11 LEU 24 1HD1 LEU 24 5.718 5.243 5.770 187 HD12 LEU 24 2HD1 LEU 24 6.664 3.952 5.023 188 HD13 LEU 24 3HD1 LEU 24 6.958 5.627 4.571 189 HD21 LEU 24 1HD2 LEU 24 8.053 7.201 6.169 190 HD22 LEU 24 2HD2 LEU 24 8.709 6.609 7.692 191 HD23 LEU 24 3HD2 LEU 24 6.966 6.831 7.514 192 H ASN 25 H ASN 25 5.938 4.530 10.556 193 HA ASN 25 HA ASN 25 6.720 2.194 11.946 194 HB2 ASN 25 1HB ASN 25 6.952 4.492 12.847 195 HB3 ASN 25 2HB ASN 25 5.201 4.643 12.934 196 HD21 ASN 25 1HD2 ASN 25 4.899 2.877 15.967 197 HD22 ASN 25 2HD2 ASN 25 4.081 3.581 14.616 198 H ILE 26 H ILE 26 3.506 3.452 11.009 199 HA ILE 26 HA ILE 26 2.133 1.343 12.536 200 HB ILE 26 HB ILE 26 0.008 2.383 11.965 201 HG12 ILE 26 1HG1 ILE 26 1.559 4.419 10.288 202 HG13 ILE 26 2HG1 ILE 26 0.559 3.129 9.637 203 HG21 ILE 26 1HG2 ILE 26 0.267 4.551 13.123 204 HG22 ILE 26 2HG2 ILE 26 2.015 4.489 12.867 205 HG23 ILE 26 3HG2 ILE 26 1.230 3.288 13.897 206 HD11 ILE 26 1HD1 ILE 26 -0.574 5.266 9.550 207 HD12 ILE 26 2HD1 ILE 26 -0.429 5.452 11.298 208 HD13 ILE 26 3HD1 ILE 26 -1.425 4.157 10.624 209 H ILE 27 H ILE 27 3.178 1.939 9.230 210 HA ILE 27 HA ILE 27 1.425 0.194 7.844 211 HB ILE 27 HB ILE 27 4.345 0.847 7.208 212 HG12 ILE 27 1HG1 ILE 27 1.749 2.030 6.105 213 HG13 ILE 27 2HG1 ILE 27 2.854 2.825 7.219 214 HG21 ILE 27 1HG2 ILE 27 3.900 0.059 4.901 215 HG22 ILE 27 2HG2 ILE 27 2.282 -0.460 5.384 216 HG23 ILE 27 3HG2 ILE 27 3.705 -1.245 6.073 217 HD11 ILE 27 1HD1 ILE 27 3.256 3.745 5.096 218 HD12 ILE 27 2HD1 ILE 27 3.308 2.165 4.323 219 HD13 ILE 27 3HD1 ILE 27 4.607 2.664 5.410 220 H ASP 28 H ASP 28 1.232 -1.972 7.830 221 HA ASP 28 HA ASP 28 3.282 -3.640 9.189 222 HB2 ASP 28 1HB ASP 28 1.017 -3.459 10.323 223 HB3 ASP 28 2HB ASP 28 0.299 -4.226 8.908 224 H ARG 29 H ARG 29 0.763 -3.761 6.644 225 HA ARG 29 HA ARG 29 2.426 -5.597 5.039 226 HB2 ARG 29 1HB ARG 29 -0.576 -5.917 5.491 227 HB3 ARG 29 2HB ARG 29 0.425 -6.937 4.453 228 HG2 ARG 29 1HG ARG 29 1.607 -7.817 6.383 229 HG3 ARG 29 2HG ARG 29 0.784 -6.693 7.462 230 HD2 ARG 29 1HD ARG 29 -0.262 -8.835 7.716 231 HD3 ARG 29 2HD ARG 29 -1.391 -7.803 6.835 232 HE ARG 29 HE ARG 29 0.320 -9.871 5.571 233 HH11 ARG 29 1HH1 ARG 29 -2.785 -8.192 5.745 234 HH12 ARG 29 2HH1 ARG 29 -3.478 -9.124 4.458 235 HH21 ARG 29 1HH2 ARG 29 -0.640 -11.110 3.960 236 HH22 ARG 29 2HH2 ARG 29 -2.257 -10.777 3.449 237 H ILE 30 H ILE 30 1.997 -5.546 2.784 238 HA ILE 30 HA ILE 30 0.481 -3.301 1.635 239 HB ILE 30 HB ILE 30 3.474 -3.813 1.179 240 HG12 ILE 30 1HG1 ILE 30 2.015 -1.325 2.203 241 HG13 ILE 30 2HG1 ILE 30 3.004 -2.418 3.163 242 HG21 ILE 30 1HG2 ILE 30 1.709 -1.891 -0.378 243 HG22 ILE 30 2HG2 ILE 30 2.419 -3.381 -0.998 244 HG23 ILE 30 3HG2 ILE 30 3.463 -2.040 -0.535 245 HD11 ILE 30 1HD1 ILE 30 4.219 -0.404 2.720 246 HD12 ILE 30 2HD1 ILE 30 3.962 -0.559 0.984 247 HD13 ILE 30 3HD1 ILE 30 4.984 -1.723 1.835 248 H GLN 31 H GLN 31 -0.486 -3.916 -0.274 249 HA GLN 31 HA GLN 31 0.479 -6.290 -1.759 250 HB2 GLN 31 1HB GLN 31 -1.452 -7.067 -0.474 251 HB3 GLN 31 2HB GLN 31 -2.405 -5.677 -0.985 252 HG2 GLN 31 1HG GLN 31 -2.392 -6.516 -3.311 253 HG3 GLN 31 2HG GLN 31 -1.419 -7.897 -2.812 254 HE21 GLN 31 1HE2 GLN 31 -4.399 -9.044 -0.799 255 HE22 GLN 31 2HE2 GLN 31 -2.848 -8.430 -0.350 256 H VAL 32 H VAL 32 0.997 -5.631 -3.758 257 HA VAL 32 HA VAL 32 -0.238 -3.307 -5.000 258 HB VAL 32 HB VAL 32 1.818 -5.241 -6.159 259 HG11 VAL 32 1HG1 VAL 32 0.627 -3.995 -7.919 260 HG12 VAL 32 2HG1 VAL 32 2.300 -3.445 -7.805 261 HG13 VAL 32 3HG1 VAL 32 0.999 -2.465 -7.120 262 HG21 VAL 32 1HG2 VAL 32 3.531 -3.537 -5.596 263 HG22 VAL 32 2HG2 VAL 32 2.725 -4.134 -4.147 264 HG23 VAL 32 3HG2 VAL 32 2.299 -2.551 -4.800 265 H THR 33 H THR 33 -2.256 -3.622 -5.751 266 HA THR 33 HA THR 33 -3.003 -6.080 -7.170 267 HB THR 33 HB THR 33 -5.321 -5.091 -7.113 268 HG1 THR 33 1HG THR 33 -4.632 -2.877 -6.955 269 HG21 THR 33 1HG2 THR 33 -5.731 -5.333 -4.683 270 HG22 THR 33 2HG2 THR 33 -3.995 -5.244 -4.374 271 HG23 THR 33 3HG2 THR 33 -4.664 -6.605 -5.276 272 HA PRO 34 HA PRO 34 -2.119 -3.424 -10.886 273 HB2 PRO 34 2HB PRO 34 -0.993 -5.281 -12.472 274 HB3 PRO 34 1HB PRO 34 -0.125 -4.721 -11.021 275 HG2 PRO 34 2HG PRO 34 -1.724 -7.248 -11.406 276 HG3 PRO 34 1HG PRO 34 -0.133 -7.029 -10.638 277 HD2 PRO 34 2HD PRO 34 -2.540 -7.158 -9.237 278 HD3 PRO 34 1HD PRO 34 -1.055 -6.403 -8.619 279 HA PRO 35 HA PRO 35 -5.757 -4.539 -13.398 280 HB2 PRO 35 2HB PRO 35 -5.272 -3.300 -15.758 281 HB3 PRO 35 1HB PRO 35 -5.490 -2.362 -14.258 282 HG2 PRO 35 2HG PRO 35 -2.924 -3.151 -15.630 283 HG3 PRO 35 1HG PRO 35 -3.399 -1.570 -14.968 284 HD2 PRO 35 2HD PRO 35 -1.809 -3.345 -13.600 285 HD3 PRO 35 1HD PRO 35 -2.873 -2.173 -12.792 286 H GLY 36 H GLY 36 -4.200 -6.728 -13.148 287 HA2 GLY 36 1HA GLY 36 -4.152 -8.006 -15.809 288 HA3 GLY 36 2HA GLY 36 -2.847 -8.229 -14.654 289 H ASN 37 H ASN 37 -6.155 -8.945 -15.409 290 HA ASN 37 HA ASN 37 -7.469 -10.723 -15.065 291 HB2 ASN 37 1HB ASN 37 -5.559 -12.211 -15.198 292 HB3 ASN 37 2HB ASN 37 -5.117 -11.902 -13.532 293 HD21 ASN 37 1HD2 ASN 37 -8.588 -14.058 -13.907 294 HD22 ASN 37 2HD2 ASN 37 -8.411 -12.561 -14.742 295 H GLY 38 H GLY 38 -5.817 -10.320 -11.876 296 HA2 GLY 38 1HA GLY 38 -8.212 -10.994 -10.454 297 HA3 GLY 38 2HA GLY 38 -6.671 -10.515 -9.766 298 H CYS 39 H CYS 39 -6.742 -7.954 -11.369 299 HA CYS 39 HA CYS 39 -8.764 -6.477 -9.794 300 HB2 CYS 39 2HB CYS 39 -6.132 -6.504 -9.075 301 HB3 CYS 39 1HB CYS 39 -6.115 -5.157 -10.205 302 HA PRO 40 HA PRO 40 -9.521 -4.517 -13.793 303 HB2 PRO 40 2HB PRO 40 -11.082 -2.424 -13.096 304 HB3 PRO 40 1HB PRO 40 -11.635 -4.097 -12.831 305 HG2 PRO 40 2HG PRO 40 -10.417 -2.177 -10.846 306 HG3 PRO 40 1HG PRO 40 -11.850 -3.219 -10.667 307 HD2 PRO 40 2HD PRO 40 -9.357 -3.913 -9.713 308 HD3 PRO 40 1HD PRO 40 -10.589 -5.099 -10.197 309 H LYS 41 H LYS 41 -7.873 -2.721 -11.255 310 HA LYS 41 HA LYS 41 -6.584 -0.937 -13.206 311 HB2 LYS 41 1HB LYS 41 -7.092 1.093 -12.006 312 HB3 LYS 41 2HB LYS 41 -8.627 0.266 -12.267 313 HG2 LYS 41 1HG LYS 41 -8.674 -0.489 -9.945 314 HG3 LYS 41 2HG LYS 41 -7.053 0.158 -9.664 315 HD2 LYS 41 1HD LYS 41 -7.991 2.466 -10.189 316 HD3 LYS 41 2HD LYS 41 -9.599 1.734 -10.205 317 HE2 LYS 41 1HE LYS 41 -7.693 1.782 -7.827 318 HE3 LYS 41 2HE LYS 41 -9.107 2.817 -8.039 319 HZ1 LYS 41 1HZ LYS 41 -9.601 0.976 -6.578 320 HZ2 LYS 41 2HZ LYS 41 -9.141 -0.142 -7.756 321 HZ3 LYS 41 3HZ LYS 41 -10.505 0.826 -8.005 322 H THR 42 H THR 42 -4.758 0.288 -12.188 323 HA THR 42 HA THR 42 -3.124 -1.140 -10.337 324 HB THR 42 HB THR 42 -1.873 1.175 -10.270 325 HG1 THR 42 1HG THR 42 -3.914 2.184 -11.163 326 HG21 THR 42 1HG2 THR 42 -0.853 0.834 -12.474 327 HG22 THR 42 2HG2 THR 42 -2.179 -0.231 -12.940 328 HG23 THR 42 3HG2 THR 42 -1.075 -0.713 -11.648 329 H GLU 43 H GLU 43 -3.180 -1.121 -8.184 330 HA GLU 43 HA GLU 43 -3.969 1.146 -6.561 331 HB2 GLU 43 1HB GLU 43 -6.189 0.215 -7.142 332 HB3 GLU 43 2HB GLU 43 -5.684 -1.388 -6.629 333 HG2 GLU 43 1HG GLU 43 -5.538 -0.579 -4.286 334 HG3 GLU 43 2HG GLU 43 -6.081 1.018 -4.813 335 H VAL 44 H VAL 44 -3.442 0.723 -4.272 336 HA VAL 44 HA VAL 44 -1.995 -1.796 -3.687 337 HB VAL 44 HB VAL 44 -1.056 1.010 -2.914 338 HG11 VAL 44 1HG1 VAL 44 -0.682 -0.509 -1.018 339 HG12 VAL 44 2HG1 VAL 44 0.858 -0.091 -1.766 340 HG13 VAL 44 3HG1 VAL 44 0.127 -1.670 -2.074 341 HG21 VAL 44 1HG2 VAL 44 -0.473 0.343 -5.229 342 HG22 VAL 44 2HG2 VAL 44 0.334 -1.094 -4.613 343 HG23 VAL 44 3HG2 VAL 44 0.958 0.497 -4.225 344 H VAL 45 H VAL 45 -2.639 -2.729 -1.851 345 HA VAL 45 HA VAL 45 -4.530 -1.368 -0.041 346 HB VAL 45 HB VAL 45 -3.947 -4.372 -0.197 347 HG11 VAL 45 1HG1 VAL 45 -6.318 -2.873 0.983 348 HG12 VAL 45 2HG1 VAL 45 -5.015 -3.643 1.892 349 HG13 VAL 45 3HG1 VAL 45 -6.124 -4.632 0.942 350 HG21 VAL 45 1HG2 VAL 45 -6.092 -2.845 -1.725 351 HG22 VAL 45 2HG2 VAL 45 -6.072 -4.598 -1.531 352 HG23 VAL 45 3HG2 VAL 45 -4.772 -3.793 -2.408 353 H ILE 46 H ILE 46 -3.407 -0.468 1.669 354 HA ILE 46 HA ILE 46 -1.165 -1.960 2.902 355 HB ILE 46 HB ILE 46 -2.003 0.952 3.334 356 HG12 ILE 46 1HG1 ILE 46 0.416 -0.233 1.879 357 HG13 ILE 46 2HG1 ILE 46 -0.930 0.636 1.143 358 HG21 ILE 46 1HG2 ILE 46 0.366 -0.544 4.546 359 HG22 ILE 46 2HG2 ILE 46 -1.069 0.009 5.412 360 HG23 ILE 46 3HG2 ILE 46 0.043 1.187 4.723 361 HD11 ILE 46 1HD1 ILE 46 0.972 2.071 1.252 362 HD12 ILE 46 2HD1 ILE 46 1.185 1.777 2.975 363 HD13 ILE 46 3HD1 ILE 46 -0.225 2.671 2.394 364 H TRP 47 H TRP 47 -1.738 -3.222 4.569 365 HA TRP 47 HA TRP 47 -3.911 -2.516 6.417 366 HB2 TRP 47 2HB TRP 47 -2.020 -4.925 6.381 367 HB3 TRP 47 1HB TRP 47 -3.336 -4.696 7.527 368 HD1 TRP 47 1HD TRP 47 -5.799 -5.269 6.696 369 HE1 TRP 47 1HE TRP 47 -6.693 -6.509 4.628 370 HE3 TRP 47 3HE TRP 47 -1.566 -5.277 3.819 371 HZ2 TRP 47 2HZ TRP 47 -5.756 -7.364 2.128 372 HZ3 TRP 47 3HZ TRP 47 -1.653 -6.321 1.603 373 HH2 TRP 47 2HH TRP 47 -3.709 -7.346 0.776 374 H THR 48 H THR 48 -3.446 -1.379 8.260 375 HA THR 48 HA THR 48 -0.646 -0.988 9.059 376 HB THR 48 HB THR 48 -1.565 0.658 10.698 377 HG1 THR 48 1HG THR 48 -4.082 0.578 9.506 378 HG21 THR 48 1HG2 THR 48 -2.315 2.348 9.063 379 HG22 THR 48 2HG2 THR 48 -2.594 1.084 7.864 380 HG23 THR 48 3HG2 THR 48 -0.951 1.427 8.417 381 H LYS 49 H LYS 49 -0.286 -1.007 11.530 382 HA LYS 49 HA LYS 49 -0.609 -3.626 12.571 383 HB2 LYS 49 1HB LYS 49 0.278 -1.051 13.941 384 HB3 LYS 49 2HB LYS 49 0.446 -2.663 14.631 385 HG2 LYS 49 1HG LYS 49 1.997 -3.277 12.789 386 HG3 LYS 49 2HG LYS 49 1.830 -1.657 12.106 387 HD2 LYS 49 1HD LYS 49 3.915 -1.848 13.394 388 HD3 LYS 49 2HD LYS 49 2.826 -0.678 14.142 389 HE2 LYS 49 1HE LYS 49 2.143 -2.418 15.796 390 HE3 LYS 49 2HE LYS 49 3.287 -3.541 15.057 391 HZ1 LYS 49 1HZ LYS 49 5.081 -2.033 15.650 392 HZ2 LYS 49 2HZ LYS 49 4.208 -2.492 17.024 393 HZ3 LYS 49 3HZ LYS 49 3.981 -0.959 16.351 394 H MET 50 H MET 50 -2.432 -0.704 12.815 395 HA MET 50 HA MET 50 -4.083 -1.471 15.080 396 HB2 MET 50 1HB MET 50 -4.340 0.858 13.123 397 HB3 MET 50 2HB MET 50 -5.242 0.678 14.625 398 HG2 MET 50 1HG MET 50 -3.175 0.893 15.914 399 HG3 MET 50 2HG MET 50 -2.234 1.012 14.422 400 HE1 MET 50 1HE MET 50 -4.095 2.877 12.584 401 HE2 MET 50 2HE MET 50 -2.355 3.115 12.756 402 HE3 MET 50 3HE MET 50 -3.456 4.473 12.988 403 H LYS 51 H LYS 51 -3.972 -2.537 11.975 404 HA LYS 51 HA LYS 51 -5.271 -3.839 10.684 405 HB2 LYS 51 1HB LYS 51 -7.450 -3.464 12.777 406 HB3 LYS 51 2HB LYS 51 -7.527 -4.601 11.433 407 HG2 LYS 51 1HG LYS 51 -5.673 -5.884 12.360 408 HG3 LYS 51 2HG LYS 51 -5.437 -4.696 13.638 409 HD2 LYS 51 1HD LYS 51 -6.582 -6.592 14.588 410 HD3 LYS 51 2HD LYS 51 -7.720 -5.251 14.522 411 HE2 LYS 51 1HE LYS 51 -7.627 -7.458 12.433 412 HE3 LYS 51 2HE LYS 51 -8.639 -7.533 13.873 413 HZ1 LYS 51 1HZ LYS 51 -9.951 -6.755 12.073 414 HZ2 LYS 51 2HZ LYS 51 -8.828 -5.567 11.658 415 HZ3 LYS 51 3HZ LYS 51 -9.693 -5.435 13.101 416 H LYS 52 H LYS 52 -5.657 -0.646 11.053 417 HA LYS 52 HA LYS 52 -8.003 -0.102 9.496 418 HB2 LYS 52 1HB LYS 52 -5.635 1.572 10.393 419 HB3 LYS 52 2HB LYS 52 -6.700 2.206 9.151 420 HG2 LYS 52 1HG LYS 52 -7.326 3.074 11.345 421 HG3 LYS 52 2HG LYS 52 -8.619 2.082 10.668 422 HD2 LYS 52 1HD LYS 52 -7.921 0.193 12.121 423 HD3 LYS 52 2HD LYS 52 -6.637 1.194 12.800 424 HE2 LYS 52 1HE LYS 52 -8.563 1.091 14.315 425 HE3 LYS 52 2HE LYS 52 -8.337 2.739 13.725 426 HZ1 LYS 52 1HZ LYS 52 -10.320 0.798 12.636 427 HZ2 LYS 52 2HZ LYS 52 -10.140 2.414 12.172 428 HZ3 LYS 52 3HZ LYS 52 -10.677 2.040 13.731 429 H VAL 53 H VAL 53 -8.243 -0.380 7.421 430 HA VAL 53 HA VAL 53 -6.019 -1.012 5.638 431 HB VAL 53 HB VAL 53 -9.045 -1.018 5.122 432 HG11 VAL 53 1HG1 VAL 53 -7.769 -0.812 3.019 433 HG12 VAL 53 2HG1 VAL 53 -8.526 -2.403 3.130 434 HG13 VAL 53 3HG1 VAL 53 -6.799 -2.222 3.450 435 HG21 VAL 53 1HG2 VAL 53 -8.411 -2.644 6.874 436 HG22 VAL 53 2HG2 VAL 53 -7.208 -3.359 5.797 437 HG23 VAL 53 3HG2 VAL 53 -8.925 -3.473 5.404 438 H ILE 54 H ILE 54 -4.992 0.804 5.004 439 HA ILE 54 HA ILE 54 -6.524 3.085 3.881 440 HB ILE 54 HB ILE 54 -3.557 3.004 4.657 441 HG12 ILE 54 1HG1 ILE 54 -5.861 4.332 6.178 442 HG13 ILE 54 2HG1 ILE 54 -5.112 2.810 6.642 443 HG21 ILE 54 1HG2 ILE 54 -5.334 5.357 3.865 444 HG22 ILE 54 2HG2 ILE 54 -4.077 4.627 2.865 445 HG23 ILE 54 3HG2 ILE 54 -3.637 5.463 4.350 446 HD11 ILE 54 1HD1 ILE 54 -3.712 5.485 6.545 447 HD12 ILE 54 2HD1 ILE 54 -3.009 3.947 7.056 448 HD13 ILE 54 3HD1 ILE 54 -4.316 4.668 7.985 449 H CYS 55 H CYS 55 -6.385 3.405 1.719 450 HA CYS 55 HA CYS 55 -4.817 1.470 0.110 451 HB2 CYS 55 2HB CYS 55 -7.299 3.013 -0.744 452 HB3 CYS 55 1HB CYS 55 -6.607 1.563 -1.483 453 H VAL 56 H VAL 56 -3.512 2.268 -1.553 454 HA VAL 56 HA VAL 56 -3.310 5.178 -1.996 455 HB VAL 56 HB VAL 56 -0.810 5.108 -1.754 456 HG11 VAL 56 1HG1 VAL 56 -0.697 5.055 0.736 457 HG12 VAL 56 2HG1 VAL 56 -2.326 4.387 0.781 458 HG13 VAL 56 3HG1 VAL 56 -2.052 6.006 0.129 459 HG21 VAL 56 1HG2 VAL 56 -0.461 2.697 -2.097 460 HG22 VAL 56 2HG2 VAL 56 -1.244 2.345 -0.556 461 HG23 VAL 56 3HG2 VAL 56 0.283 3.228 -0.588 462 H ASN 57 H ASN 57 -1.796 5.632 -3.888 463 HA ASN 57 HA ASN 57 -2.196 3.658 -6.011 464 HB2 ASN 57 1HB ASN 57 -1.524 5.408 -7.576 465 HB3 ASN 57 2HB ASN 57 -2.732 6.047 -6.474 466 HD21 ASN 57 1HD2 ASN 57 0.137 8.449 -7.055 467 HD22 ASN 57 2HD2 ASN 57 -0.810 7.479 -8.125 468 HA PRO 58 HA PRO 58 2.054 2.141 -5.774 469 HB2 PRO 58 2HB PRO 58 2.355 1.064 -8.288 470 HB3 PRO 58 1HB PRO 58 1.368 0.303 -7.020 471 HG2 PRO 58 2HG PRO 58 0.483 1.992 -9.340 472 HG3 PRO 58 1HG PRO 58 -0.234 0.502 -8.683 473 HD2 PRO 58 2HD PRO 58 -1.228 2.992 -8.115 474 HD3 PRO 58 1HD PRO 58 -1.364 1.627 -6.990 475 H ARG 59 H ARG 59 1.051 4.635 -7.873 476 HA ARG 59 HA ARG 59 3.733 5.318 -8.841 477 HB2 ARG 59 1HB ARG 59 0.994 6.524 -9.403 478 HB3 ARG 59 2HB ARG 59 2.496 7.096 -10.127 479 HG2 ARG 59 1HG ARG 59 2.812 4.970 -11.273 480 HG3 ARG 59 2HG ARG 59 1.407 4.275 -10.456 481 HD2 ARG 59 1HD ARG 59 1.336 6.603 -12.408 482 HD3 ARG 59 2HD ARG 59 0.929 4.932 -12.803 483 HE ARG 59 HE ARG 59 -0.615 6.766 -11.096 484 HH11 ARG 59 1HH1 ARG 59 -0.465 3.689 -12.802 485 HH12 ARG 59 2HH1 ARG 59 -2.148 3.359 -12.603 486 HH21 ARG 59 1HH2 ARG 59 -2.822 6.296 -10.829 487 HH22 ARG 59 2HH2 ARG 59 -3.484 4.845 -11.483 488 H ALA 60 H ALA 60 2.566 5.622 -5.937 489 HA ALA 60 HA ALA 60 3.123 8.412 -5.354 490 HB1 ALA 60 1HB ALA 60 2.934 7.699 -2.981 491 HB2 ALA 60 2HB ALA 60 2.805 6.018 -3.502 492 HB3 ALA 60 3HB ALA 60 1.549 7.174 -3.940 493 H LYS 61 H LYS 61 5.130 9.264 -5.051 494 HA LYS 61 HA LYS 61 7.450 7.741 -5.710 495 HB2 LYS 61 1HB LYS 61 7.361 10.557 -4.532 496 HB3 LYS 61 2HB LYS 61 8.722 9.820 -5.376 497 HG2 LYS 61 1HG LYS 61 7.354 9.760 -7.463 498 HG3 LYS 61 2HG LYS 61 6.034 10.565 -6.598 499 HD2 LYS 61 1HD LYS 61 7.534 12.509 -6.165 500 HD3 LYS 61 2HD LYS 61 8.830 11.706 -7.054 501 HE2 LYS 61 1HE LYS 61 7.805 13.358 -8.501 502 HE3 LYS 61 2HE LYS 61 7.375 11.758 -9.102 503 HZ1 LYS 61 1HZ LYS 61 5.493 13.281 -9.105 504 HZ2 LYS 61 2HZ LYS 61 5.631 13.489 -7.433 505 HZ3 LYS 61 3HZ LYS 61 5.218 11.978 -8.066 506 H TRP 62 H TRP 62 6.237 9.055 -2.632 507 HA TRP 62 HA TRP 62 8.407 8.407 -0.953 508 HB2 TRP 62 2HB TRP 62 6.877 8.762 0.917 509 HB3 TRP 62 1HB TRP 62 6.513 9.954 -0.320 510 HD1 TRP 62 1HD TRP 62 4.124 9.684 -1.625 511 HE1 TRP 62 1HE TRP 62 1.964 8.444 -0.989 512 HE3 TRP 62 3HE TRP 62 5.932 6.717 2.151 513 HZ2 TRP 62 2HZ TRP 62 1.135 6.489 0.833 514 HZ3 TRP 62 3HZ TRP 62 4.368 5.189 3.290 515 HH2 TRP 62 2HH TRP 62 2.016 5.073 2.640 516 H LEU 63 H LEU 63 5.682 6.564 -2.125 517 HA LEU 63 HA LEU 63 5.888 4.326 -0.362 518 HB2 LEU 63 1HB LEU 63 3.793 5.023 -1.499 519 HB3 LEU 63 2HB LEU 63 4.514 4.640 -3.056 520 HG LEU 63 HG LEU 63 4.682 2.217 -2.271 521 HD11 LEU 63 1HD1 LEU 63 3.206 1.493 -0.434 522 HD12 LEU 63 2HD1 LEU 63 2.907 3.186 -0.018 523 HD13 LEU 63 3HD1 LEU 63 4.530 2.511 0.125 524 HD21 LEU 63 1HD2 LEU 63 2.315 1.737 -2.700 525 HD22 LEU 63 2HD2 LEU 63 2.991 2.898 -3.834 526 HD23 LEU 63 3HD2 LEU 63 1.939 3.453 -2.535 527 H GLN 64 H GLN 64 7.201 5.167 -3.551 528 HA GLN 64 HA GLN 64 8.173 2.724 -4.451 529 HB2 GLN 64 1HB GLN 64 9.268 5.534 -4.817 530 HB3 GLN 64 2HB GLN 64 9.991 4.140 -5.618 531 HG2 GLN 64 1HG GLN 64 7.109 5.033 -5.944 532 HG3 GLN 64 2HG GLN 64 8.421 5.389 -7.069 533 HE21 GLN 64 1HE2 GLN 64 6.394 2.306 -8.035 534 HE22 GLN 64 2HE2 GLN 64 5.909 3.852 -7.435 535 H ARG 65 H ARG 65 9.347 4.725 -1.883 536 HA ARG 65 HA ARG 65 12.008 3.734 -1.609 537 HB2 ARG 65 1HB ARG 65 10.103 5.222 0.239 538 HB3 ARG 65 2HB ARG 65 11.574 4.540 0.902 539 HG2 ARG 65 1HG ARG 65 11.845 6.922 0.412 540 HG3 ARG 65 2HG ARG 65 12.949 5.946 -0.550 541 HD2 ARG 65 1HD ARG 65 11.430 6.209 -2.507 542 HD3 ARG 65 2HD ARG 65 10.382 7.251 -1.532 543 HE ARG 65 HE ARG 65 12.896 8.376 -1.390 544 HH11 ARG 65 1HH1 ARG 65 10.649 7.630 -4.001 545 HH12 ARG 65 2HH1 ARG 65 11.224 8.904 -5.024 546 HH21 ARG 65 1HH2 ARG 65 13.670 10.018 -2.772 547 HH22 ARG 65 2HH2 ARG 65 12.938 10.260 -4.326 548 H LEU 66 H LEU 66 8.909 2.935 -0.076 549 HA LEU 66 HA LEU 66 9.777 0.755 1.532 550 HB2 LEU 66 1HB LEU 66 7.026 1.443 0.445 551 HB3 LEU 66 2HB LEU 66 7.322 0.230 1.685 552 HG LEU 66 HG LEU 66 7.944 3.195 2.030 553 HD11 LEU 66 1HD1 LEU 66 5.517 1.661 2.972 554 HD12 LEU 66 2HD1 LEU 66 5.554 2.902 1.714 555 HD13 LEU 66 3HD1 LEU 66 5.928 3.327 3.381 556 HD21 LEU 66 1HD2 LEU 66 7.877 0.907 4.034 557 HD22 LEU 66 2HD2 LEU 66 8.027 2.615 4.454 558 HD23 LEU 66 3HD2 LEU 66 9.293 1.833 3.523 559 H LEU 67 H LEU 67 8.299 0.948 -1.707 560 HA LEU 67 HA LEU 67 7.750 -1.779 -2.061 561 HB2 LEU 67 1HB LEU 67 8.271 0.312 -4.209 562 HB3 LEU 67 2HB LEU 67 7.579 -1.275 -4.502 563 HG LEU 67 HG LEU 67 6.284 0.977 -2.908 564 HD11 LEU 67 1HD1 LEU 67 4.644 1.061 -4.737 565 HD12 LEU 67 2HD1 LEU 67 5.574 -0.144 -5.631 566 HD13 LEU 67 3HD1 LEU 67 6.274 1.442 -5.291 567 HD21 LEU 67 1HD2 LEU 67 5.617 -1.148 -1.932 568 HD22 LEU 67 2HD2 LEU 67 5.203 -1.796 -3.522 569 HD23 LEU 67 3HD2 LEU 67 4.266 -0.467 -2.832 570 H ARG 68 H ARG 68 10.642 0.147 -2.914 571 HA ARG 68 HA ARG 68 11.936 -2.212 -4.048 572 HB2 ARG 68 1HB ARG 68 13.694 -0.797 -4.785 573 HB3 ARG 68 2HB ARG 68 12.183 0.053 -5.084 574 HG2 ARG 68 1HG ARG 68 12.618 1.452 -3.049 575 HG3 ARG 68 2HG ARG 68 14.171 0.628 -2.854 576 HD2 ARG 68 1HD ARG 68 14.732 1.405 -5.227 577 HD3 ARG 68 2HD ARG 68 13.293 2.426 -5.139 578 HE ARG 68 HE ARG 68 14.992 2.870 -2.907 579 HH11 ARG 68 1HH1 ARG 68 14.760 3.637 -6.346 580 HH12 ARG 68 2HH1 ARG 68 15.713 5.079 -6.200 581 HH21 ARG 68 1HH2 ARG 68 16.278 4.733 -2.762 582 HH22 ARG 68 2HH2 ARG 68 16.572 5.698 -4.174 583 H HIS 69 H HIS 69 11.917 -0.542 -0.957 584 HA HIS 69 HA HIS 69 14.326 -1.715 0.081 585 HB2 HIS 69 1HB HIS 69 12.095 -0.120 1.258 586 HB3 HIS 69 2HB HIS 69 12.860 -1.217 2.383 587 HD1 HIS 69 HD1 HIS 69 13.263 2.064 0.877 588 HD2 HIS 69 HD2 HIS 69 15.735 -0.761 2.653 589 HE1 HIS 69 HE1 HIS 69 15.360 3.291 1.503 590 HE2 HIS 69 HE2 HIS 69 16.899 1.525 2.394 591 H VAL 70 H VAL 70 10.939 -2.764 0.121 592 HA VAL 70 HA VAL 70 11.391 -5.089 1.745 593 HB VAL 70 HB VAL 70 9.129 -5.847 1.101 594 HG11 VAL 70 1HG1 VAL 70 9.213 -2.890 1.814 595 HG12 VAL 70 2HG1 VAL 70 9.326 -4.243 2.943 596 HG13 VAL 70 3HG1 VAL 70 7.829 -3.965 2.052 597 HG21 VAL 70 1HG2 VAL 70 9.030 -3.438 -0.762 598 HG22 VAL 70 2HG2 VAL 70 7.688 -4.526 -0.400 599 HG23 VAL 70 3HG2 VAL 70 9.103 -5.130 -1.262 600 H GLN 71 H GLN 71 11.936 -4.343 -1.537 601 HA GLN 71 HA GLN 71 12.462 -7.092 -2.397 602 HB2 GLN 71 1HB GLN 71 12.937 -4.390 -3.745 603 HB3 GLN 71 2HB GLN 71 13.201 -5.953 -4.515 604 HG2 GLN 71 1HG GLN 71 10.832 -6.461 -4.433 605 HG3 GLN 71 2HG GLN 71 10.507 -5.015 -3.477 606 HE21 GLN 71 1HE2 GLN 71 9.542 -3.537 -6.511 607 HE22 GLN 71 2HE2 GLN 71 9.061 -4.135 -4.959 608 H SER 72 H SER 72 14.942 -6.315 -3.882 609 HA SER 72 HA SER 72 16.922 -6.935 -1.952 610 HB2 SER 72 1HB SER 72 17.264 -5.813 -4.774 611 HB3 SER 72 2HB SER 72 18.524 -6.601 -3.817 612 HG SER 72 HG SER 72 17.637 -8.511 -4.208 613 H LYS 73 H LYS 73 17.551 -5.582 -0.391 614 HA LYS 73 HA LYS 73 18.061 -2.701 -0.930 615 HB2 LYS 73 1HB LYS 73 17.508 -2.257 1.437 616 HB3 LYS 73 2HB LYS 73 16.149 -3.023 0.616 617 HG2 LYS 73 1HG LYS 73 16.760 -5.196 1.637 618 HG3 LYS 73 2HG LYS 73 18.118 -4.425 2.464 619 HD2 LYS 73 1HD LYS 73 16.599 -3.034 3.776 620 HD3 LYS 73 2HD LYS 73 15.207 -3.623 2.867 621 HE2 LYS 73 1HE LYS 73 15.667 -5.924 3.758 622 HE3 LYS 73 2HE LYS 73 16.954 -5.237 4.753 623 HZ1 LYS 73 1HZ LYS 73 15.347 -3.905 5.907 624 HZ2 LYS 73 2HZ LYS 73 14.834 -5.515 5.943 625 HZ3 LYS 73 3HZ LYS 73 14.100 -4.421 4.888 626 H SER 74 H SER 74 19.636 -1.826 0.818 627 HA SER 74 HA SER 74 22.075 -3.424 0.833 628 HB2 SER 74 1HB SER 74 23.052 -1.226 1.737 629 HB3 SER 74 2HB SER 74 22.352 -1.140 0.118 630 HG SER 74 HG SER 74 21.263 -0.210 2.560 631 H LEU 75 H LEU 75 22.274 -4.842 2.478 632 HA LEU 75 HA LEU 75 21.050 -4.395 5.090 633 HB2 LEU 75 1HB LEU 75 21.245 -6.681 3.740 634 HB3 LEU 75 2HB LEU 75 22.835 -6.770 4.458 635 HG LEU 75 HG LEU 75 21.178 -8.139 5.686 636 HD11 LEU 75 1HD1 LEU 75 23.056 -7.273 6.985 637 HD12 LEU 75 2HD1 LEU 75 21.609 -7.457 7.969 638 HD13 LEU 75 3HD1 LEU 75 22.108 -5.850 7.432 639 HD21 LEU 75 1HD2 LEU 75 19.177 -6.772 5.199 640 HD22 LEU 75 2HD2 LEU 75 19.715 -5.576 6.383 641 HD23 LEU 75 3HD2 LEU 75 19.314 -7.214 6.895 642 H SER 76 H SER 76 22.342 -2.450 5.295 643 HA SER 76 HA SER 76 24.457 -2.664 7.161 644 HB2 SER 76 1HB SER 76 25.770 -3.158 5.063 645 HB3 SER 76 2HB SER 76 25.282 -1.590 4.415 646 HG SER 76 HG SER 76 26.297 -1.108 6.790 647 H SER 77 H SER 77 21.835 -1.449 6.705 648 HA SER 77 HA SER 77 21.999 1.327 6.143 649 HB2 SER 77 1HB SER 77 19.662 1.343 7.254 650 HB3 SER 77 2HB SER 77 19.864 0.301 5.843 651 HG SER 77 HG SER 77 20.185 -0.646 8.498 652 H THR 78 H THR 78 21.851 3.119 7.575 653 HA THR 78 HA THR 78 23.810 3.113 9.565 654 HB THR 78 HB THR 78 23.003 5.476 10.038 655 HG1 THR 78 1HG THR 78 20.724 4.806 9.411 656 HG21 THR 78 1HG2 THR 78 23.542 6.391 7.810 657 HG22 THR 78 2HG2 THR 78 23.307 4.801 7.084 658 HG23 THR 78 3HG2 THR 78 24.638 5.066 8.214 659 HA PRO 79 HA PRO 79 21.897 1.648 13.353 660 HB2 PRO 79 2HB PRO 79 23.217 4.042 14.664 661 HB3 PRO 79 1HB PRO 79 23.237 2.330 15.153 662 HG2 PRO 79 2HG PRO 79 25.360 3.356 13.966 663 HG3 PRO 79 1HG PRO 79 24.787 1.737 13.500 664 HD2 PRO 79 2HD PRO 79 24.445 4.348 12.036 665 HD3 PRO 79 1HD PRO 79 24.790 2.726 11.391 666 H GLN 80 H GLN 80 20.064 1.919 14.491 667 HA GLN 80 HA GLN 80 18.548 4.451 14.333 668 HB2 GLN 80 1HB GLN 80 16.555 3.162 14.781 669 HB3 GLN 80 2HB GLN 80 17.453 2.332 13.516 670 HG2 GLN 80 1HG GLN 80 18.305 0.720 15.225 671 HG3 GLN 80 2HG GLN 80 17.335 1.538 16.447 672 HE21 GLN 80 1HE2 GLN 80 15.623 -1.502 14.979 673 HE22 GLN 80 2HE2 GLN 80 17.239 -1.232 15.519 674 H ALA 81 H ALA 81 17.191 4.912 16.365 675 HA ALA 81 HA ALA 81 18.938 5.344 18.563 676 HB1 ALA 81 1HB ALA 81 16.973 6.380 19.657 677 HB2 ALA 81 2HB ALA 81 15.929 5.729 18.389 678 HB3 ALA 81 3HB ALA 81 17.153 6.934 17.988 679 HA PRO 82 HA PRO 82 18.184 1.187 20.434 680 HB2 PRO 82 2HB PRO 82 19.726 1.595 22.727 681 HB3 PRO 82 1HB PRO 82 20.395 1.101 21.156 682 HG2 PRO 82 2HG PRO 82 20.272 3.848 22.375 683 HG3 PRO 82 1HG PRO 82 21.613 3.058 21.508 684 HD2 PRO 82 2HD PRO 82 20.041 4.871 20.281 685 HD3 PRO 82 1HD PRO 82 20.665 3.460 19.400 686 H VAL 83 H VAL 83 17.926 4.239 22.176 687 HA VAL 83 HA VAL 83 15.800 3.240 23.963 688 HB VAL 83 HB VAL 83 17.207 5.965 23.916 689 HG11 VAL 83 1HG1 VAL 83 14.984 6.105 24.967 690 HG12 VAL 83 2HG1 VAL 83 16.256 6.318 26.172 691 HG13 VAL 83 3HG1 VAL 83 15.398 4.777 26.056 692 HG21 VAL 83 1HG2 VAL 83 18.471 5.183 25.909 693 HG22 VAL 83 2HG2 VAL 83 18.826 4.206 24.485 694 HG23 VAL 83 3HG2 VAL 83 17.746 3.581 25.734 695 H SER 84 H SER 84 13.671 3.910 23.660 696 HA SER 84 HA SER 84 13.000 6.238 22.030 697 HB2 SER 84 1HB SER 84 13.058 4.438 20.326 698 HB3 SER 84 2HB SER 84 11.974 3.449 21.305 699 HG SER 84 HG SER 84 10.310 4.740 20.803 700 H LYS 85 H LYS 85 11.216 7.231 22.822 701 HA LYS 85 HA LYS 85 9.777 6.222 25.109 702 HB2 LYS 85 1HB LYS 85 8.483 8.355 24.938 703 HB3 LYS 85 2HB LYS 85 10.227 8.612 24.957 704 HG2 LYS 85 1HG LYS 85 10.238 9.012 22.545 705 HG3 LYS 85 2HG LYS 85 8.510 8.641 22.446 706 HD2 LYS 85 1HD LYS 85 8.013 10.603 23.875 707 HD3 LYS 85 2HD LYS 85 9.739 10.969 23.988 708 HE2 LYS 85 1HE LYS 85 8.582 12.395 22.316 709 HE3 LYS 85 2HE LYS 85 9.836 11.399 21.580 710 HZ1 LYS 85 1HZ LYS 85 6.936 10.764 21.558 711 HZ2 LYS 85 2HZ LYS 85 8.151 9.883 20.784 712 HZ3 LYS 85 3HZ LYS 85 7.786 11.449 20.273 713 H ARG 86 H ARG 86 7.177 6.738 24.875 714 HA ARG 86 HA ARG 86 5.242 5.659 24.451 715 HB2 ARG 86 1HB ARG 86 5.360 6.842 22.257 716 HB3 ARG 86 2HB ARG 86 6.270 5.498 21.586 717 HG2 ARG 86 1HG ARG 86 4.198 4.044 22.156 718 HG3 ARG 86 2HG ARG 86 3.346 5.573 22.380 719 HD2 ARG 86 1HD ARG 86 2.977 4.694 20.118 720 HD3 ARG 86 2HD ARG 86 3.891 6.206 20.048 721 HE ARG 86 HE ARG 86 5.539 3.832 20.093 722 HH11 ARG 86 1HH1 ARG 86 3.820 6.047 17.949 723 HH12 ARG 86 2HH1 ARG 86 4.791 5.642 16.571 724 HH21 ARG 86 1HH2 ARG 86 6.784 3.321 18.284 725 HH22 ARG 86 2HH2 ARG 86 6.469 4.100 16.765 726 H ARG 87 H ARG 87 6.059 4.011 25.838 727 HA ARG 87 HA ARG 87 7.626 1.801 24.964 728 HB2 ARG 87 1HB ARG 87 7.304 2.794 27.379 729 HB3 ARG 87 2HB ARG 87 5.892 1.755 27.465 730 HG2 ARG 87 1HG ARG 87 8.729 0.777 26.974 731 HG3 ARG 87 2HG ARG 87 7.965 0.852 28.561 732 HD2 ARG 87 1HD ARG 87 6.275 -0.802 27.814 733 HD3 ARG 87 2HD ARG 87 7.041 -0.869 26.220 734 HE ARG 87 HE ARG 87 8.534 -1.590 28.673 735 HH11 ARG 87 1HH1 ARG 87 7.359 -2.528 25.482 736 HH12 ARG 87 2HH1 ARG 87 8.276 -3.999 25.458 737 HH21 ARG 87 1HH2 ARG 87 9.738 -3.504 28.593 738 HH22 ARG 87 2HH2 ARG 87 9.619 -4.544 27.221 739 H ALA 88 H ALA 88 6.776 0.572 23.368 740 HA ALA 88 HA ALA 88 4.095 -0.146 22.954 741 HB1 ALA 88 1HB ALA 88 4.995 -1.831 21.367 742 HB2 ALA 88 2HB ALA 88 6.618 -1.557 22.010 743 HB3 ALA 88 3HB ALA 88 5.775 -0.256 21.168 744 H ALA 89 H ALA 89 3.004 -1.068 24.599 745 HA ALA 89 HA ALA 89 3.541 -3.805 25.367 746 HB1 ALA 89 1HB ALA 89 3.576 -3.385 27.812 747 HB2 ALA 89 2HB ALA 89 3.566 -1.641 27.525 748 HB3 ALA 89 3HB ALA 89 4.950 -2.611 27.018 Start of MODEL 5 1 H1 MET 1 1H MET 1 5.503 -2.688 7.203 2 H2 MET 1 2H MET 1 5.447 -4.363 7.370 3 H3 MET 1 3H MET 1 4.501 -3.610 6.196 4 HA MET 1 HA MET 1 6.472 -2.877 5.036 5 HB2 MET 1 1HB MET 1 7.923 -4.499 7.173 6 HB3 MET 1 2HB MET 1 8.695 -3.866 5.725 7 HG2 MET 1 1HG MET 1 7.433 -2.194 7.916 8 HG3 MET 1 2HG MET 1 9.167 -2.472 7.697 9 HE1 MET 1 1HE MET 1 9.932 0.023 7.480 10 HE2 MET 1 2HE MET 1 8.293 0.469 7.964 11 HE3 MET 1 3HE MET 1 9.038 1.235 6.562 12 H ILE 2 H ILE 2 5.155 -5.844 6.213 13 HA ILE 2 HA ILE 2 6.334 -7.758 4.542 14 HB ILE 2 HB ILE 2 3.496 -7.732 5.685 15 HG12 ILE 2 1HG1 ILE 2 6.072 -8.935 6.789 16 HG13 ILE 2 2HG1 ILE 2 5.220 -7.541 7.437 17 HG21 ILE 2 1HG2 ILE 2 3.514 -10.184 5.409 18 HG22 ILE 2 2HG2 ILE 2 5.096 -10.092 4.634 19 HG23 ILE 2 3HG2 ILE 2 3.688 -9.370 3.851 20 HD11 ILE 2 1HD1 ILE 2 4.828 -9.482 8.806 21 HD12 ILE 2 2HD1 ILE 2 4.222 -10.394 7.425 22 HD13 ILE 2 3HD1 ILE 2 3.320 -9.000 8.029 23 H LEU 3 H LEU 3 6.465 -7.468 2.386 24 HA LEU 3 HA LEU 3 4.478 -6.123 0.799 25 HB2 LEU 3 1HB LEU 3 6.847 -5.835 0.290 26 HB3 LEU 3 2HB LEU 3 7.062 -7.566 0.089 27 HG LEU 3 HG LEU 3 5.505 -7.434 -1.937 28 HD11 LEU 3 1HD1 LEU 3 5.172 -5.264 -3.026 29 HD12 LEU 3 2HD1 LEU 3 5.859 -4.447 -1.618 30 HD13 LEU 3 3HD1 LEU 3 4.350 -5.349 -1.469 31 HD21 LEU 3 1HD2 LEU 3 7.220 -6.600 -3.455 32 HD22 LEU 3 2HD2 LEU 3 7.924 -7.597 -2.184 33 HD23 LEU 3 3HD2 LEU 3 8.069 -5.840 -2.103 34 H GLU 4 H GLU 4 2.701 -7.118 0.144 35 HA GLU 4 HA GLU 4 2.579 -10.015 -0.334 36 HB2 GLU 4 1HB GLU 4 0.403 -7.895 -0.089 37 HB3 GLU 4 2HB GLU 4 0.090 -9.595 -0.395 38 HG2 GLU 4 1HG GLU 4 1.429 -8.468 2.080 39 HG3 GLU 4 2HG GLU 4 -0.274 -8.914 1.967 40 H ALA 5 H ALA 5 2.659 -10.751 -2.398 41 HA ALA 5 HA ALA 5 1.798 -9.101 -4.673 42 HB1 ALA 5 1HB ALA 5 2.413 -11.092 -6.039 43 HB2 ALA 5 2HB ALA 5 2.796 -11.981 -4.562 44 HB3 ALA 5 3HB ALA 5 3.752 -10.570 -5.017 45 H HIS 6 H HIS 6 -0.186 -9.449 -5.701 46 HA HIS 6 HA HIS 6 -2.230 -10.799 -4.145 47 HB2 HIS 6 1HB HIS 6 -3.831 -9.737 -5.518 48 HB3 HIS 6 2HB HIS 6 -2.520 -8.576 -5.449 49 HD1 HIS 6 HD1 HIS 6 -4.686 -10.282 -7.763 50 HD2 HIS 6 HD2 HIS 6 -0.876 -8.646 -7.945 51 HE1 HIS 6 HE1 HIS 6 -4.222 -9.925 -10.190 52 HE2 HIS 6 HE2 HIS 6 -1.843 -9.141 -10.280 53 H TYR 7 H TYR 7 -3.242 -12.749 -4.634 54 HA TYR 7 HA TYR 7 -2.404 -14.485 -6.738 55 HB2 TYR 7 2HB TYR 7 -5.104 -14.467 -5.299 56 HB3 TYR 7 1HB TYR 7 -4.411 -15.817 -6.194 57 HD1 TYR 7 1HD TYR 7 -2.130 -16.767 -5.318 58 HD2 TYR 7 2HD TYR 7 -4.707 -14.297 -2.962 59 HE1 TYR 7 1HE TYR 7 -1.047 -17.583 -3.266 60 HE2 TYR 7 2HE TYR 7 -3.623 -15.112 -0.913 61 HH TYR 7 HH TYR 7 -2.341 -17.093 -0.165 62 H THR 8 H THR 8 -3.352 -14.848 -8.791 63 HA THR 8 HA THR 8 -3.905 -12.624 -10.310 64 HB THR 8 HB THR 8 -3.115 -14.727 -11.305 65 HG1 THR 8 1HG THR 8 -4.002 -13.359 -12.811 66 HG21 THR 8 1HG2 THR 8 -4.522 -16.363 -10.078 67 HG22 THR 8 2HG2 THR 8 -4.618 -16.602 -11.821 68 HG23 THR 8 3HG2 THR 8 -5.940 -15.805 -10.967 69 H ASN 9 H ASN 9 -6.217 -14.669 -8.654 70 HA ASN 9 HA ASN 9 -8.513 -13.118 -9.677 71 HB2 ASN 9 1HB ASN 9 -8.546 -15.552 -10.266 72 HB3 ASN 9 2HB ASN 9 -8.456 -15.956 -8.558 73 HD21 ASN 9 1HD2 ASN 9 -11.939 -14.081 -9.584 74 HD22 ASN 9 2HD2 ASN 9 -10.432 -13.371 -10.030 75 H LEU 10 H LEU 10 -9.589 -11.933 -8.196 76 HA LEU 10 HA LEU 10 -10.028 -12.583 -5.500 77 HB2 LEU 10 1HB LEU 10 -8.654 -11.084 -4.247 78 HB3 LEU 10 2HB LEU 10 -7.562 -11.947 -5.306 79 HG LEU 10 HG LEU 10 -8.493 -9.063 -5.720 80 HD11 LEU 10 1HD1 LEU 10 -7.029 -9.264 -3.770 81 HD12 LEU 10 2HD1 LEU 10 -6.227 -8.397 -5.078 82 HD13 LEU 10 3HD1 LEU 10 -5.806 -10.081 -4.749 83 HD21 LEU 10 1HD2 LEU 10 -6.690 -8.919 -7.433 84 HD22 LEU 10 2HD2 LEU 10 -7.966 -10.041 -7.881 85 HD23 LEU 10 3HD2 LEU 10 -6.430 -10.660 -7.277 86 H LYS 11 H LYS 11 -11.744 -11.328 -4.753 87 HA LYS 11 HA LYS 11 -12.751 -9.150 -6.403 88 HB2 LYS 11 1HB LYS 11 -13.754 -10.331 -3.774 89 HB3 LYS 11 2HB LYS 11 -14.585 -9.057 -4.668 90 HG2 LYS 11 1HG LYS 11 -14.978 -10.539 -6.546 91 HG3 LYS 11 2HG LYS 11 -13.982 -11.804 -5.820 92 HD2 LYS 11 1HD LYS 11 -15.644 -12.055 -3.986 93 HD3 LYS 11 2HD LYS 11 -16.634 -10.778 -4.702 94 HE2 LYS 11 1HE LYS 11 -17.038 -12.148 -6.679 95 HE3 LYS 11 2HE LYS 11 -15.936 -13.391 -6.083 96 HZ1 LYS 11 1HZ LYS 11 -18.434 -12.565 -4.722 97 HZ2 LYS 11 2HZ LYS 11 -17.409 -13.820 -4.266 98 HZ3 LYS 11 3HZ LYS 11 -18.285 -13.926 -5.709 99 H CYS 12 H CYS 12 -11.279 -7.498 -6.303 100 HA CYS 12 HA CYS 12 -9.787 -6.646 -4.105 101 HB2 CYS 12 2HB CYS 12 -10.679 -5.033 -6.517 102 HB3 CYS 12 1HB CYS 12 -9.401 -4.558 -5.397 103 H ARG 13 H ARG 13 -10.736 -6.108 -2.218 104 HA ARG 13 HA ARG 13 -12.993 -4.218 -2.181 105 HB2 ARG 13 1HB ARG 13 -12.013 -6.190 -0.082 106 HB3 ARG 13 2HB ARG 13 -13.248 -4.977 0.237 107 HG2 ARG 13 1HG ARG 13 -13.462 -7.209 -1.817 108 HG3 ARG 13 2HG ARG 13 -14.214 -7.201 -0.222 109 HD2 ARG 13 1HD ARG 13 -15.943 -6.575 -1.727 110 HD3 ARG 13 2HD ARG 13 -15.433 -5.070 -0.959 111 HE ARG 13 HE ARG 13 -14.248 -5.775 -3.554 112 HH11 ARG 13 1HH1 ARG 13 -16.539 -3.723 -1.811 113 HH12 ARG 13 2HH1 ARG 13 -16.682 -2.588 -3.109 114 HH21 ARG 13 1HH2 ARG 13 -14.444 -4.269 -5.230 115 HH22 ARG 13 2HH2 ARG 13 -15.494 -2.894 -5.051 116 H CYS 14 H CYS 14 -12.013 -2.349 -2.428 117 HA CYS 14 HA CYS 14 -10.265 -1.356 -0.253 118 HB2 CYS 14 2HB CYS 14 -8.852 -1.603 -2.224 119 HB3 CYS 14 1HB CYS 14 -10.053 -0.828 -3.255 120 H SER 15 H SER 15 -10.596 0.866 0.261 121 HA SER 15 HA SER 15 -13.299 1.870 -0.109 122 HB2 SER 15 1HB SER 15 -10.933 3.086 1.385 123 HB3 SER 15 2HB SER 15 -12.635 3.536 1.567 124 HG SER 15 HG SER 15 -12.613 0.978 1.968 125 H GLY 16 H GLY 16 -10.165 2.394 -1.440 126 HA2 GLY 16 1HA GLY 16 -10.289 3.626 -3.688 127 HA3 GLY 16 2HA GLY 16 -10.823 4.987 -2.696 128 H VAL 17 H VAL 17 -8.607 5.524 -4.051 129 HA VAL 17 HA VAL 17 -6.287 4.881 -2.335 130 HB VAL 17 HB VAL 17 -4.860 5.758 -4.192 131 HG11 VAL 17 1HG1 VAL 17 -5.318 3.349 -4.076 132 HG12 VAL 17 2HG1 VAL 17 -5.172 3.869 -5.756 133 HG13 VAL 17 3HG1 VAL 17 -6.768 3.553 -5.066 134 HG21 VAL 17 1HG2 VAL 17 -6.441 7.346 -5.234 135 HG22 VAL 17 2HG2 VAL 17 -7.437 6.001 -5.797 136 HG23 VAL 17 3HG2 VAL 17 -5.801 6.212 -6.429 137 H ILE 18 H ILE 18 -5.326 6.424 -1.158 138 HA ILE 18 HA ILE 18 -6.228 9.239 -1.332 139 HB ILE 18 HB ILE 18 -5.686 7.862 1.344 140 HG12 ILE 18 1HG1 ILE 18 -8.454 8.130 0.081 141 HG13 ILE 18 2HG1 ILE 18 -7.577 6.618 0.266 142 HG21 ILE 18 1HG2 ILE 18 -6.955 9.746 2.282 143 HG22 ILE 18 2HG2 ILE 18 -7.288 10.353 0.662 144 HG23 ILE 18 3HG2 ILE 18 -5.638 10.341 1.276 145 HD11 ILE 18 1HD1 ILE 18 -8.648 8.355 2.499 146 HD12 ILE 18 2HD1 ILE 18 -7.666 6.905 2.721 147 HD13 ILE 18 3HD1 ILE 18 -9.253 6.783 1.969 148 H SER 19 H SER 19 -4.534 10.676 -1.212 149 HA SER 19 HA SER 19 -1.846 9.691 -1.430 150 HB2 SER 19 1HB SER 19 -1.340 12.173 -1.751 151 HB3 SER 19 2HB SER 19 -2.516 11.491 -2.870 152 HG SER 19 HG SER 19 -3.363 12.727 -0.477 153 H THR 20 H THR 20 -3.513 9.959 1.309 154 HA THR 20 HA THR 20 -1.977 11.440 3.132 155 HB THR 20 HB THR 20 -2.932 9.776 4.871 156 HG1 THR 20 1HG THR 20 -3.201 8.144 3.026 157 HG21 THR 20 1HG2 THR 20 -5.250 10.568 4.674 158 HG22 THR 20 2HG2 THR 20 -4.932 11.112 3.027 159 HG23 THR 20 3HG2 THR 20 -4.107 11.880 4.382 160 H VAL 21 H VAL 21 0.088 11.150 3.727 161 HA VAL 21 HA VAL 21 1.603 8.799 3.101 162 HB VAL 21 HB VAL 21 2.351 11.167 4.886 163 HG11 VAL 21 1HG1 VAL 21 4.692 10.429 4.605 164 HG12 VAL 21 2HG1 VAL 21 4.151 9.009 3.709 165 HG13 VAL 21 3HG1 VAL 21 3.730 9.188 5.415 166 HG21 VAL 21 1HG2 VAL 21 1.908 11.877 2.572 167 HG22 VAL 21 2HG2 VAL 21 3.019 10.649 1.960 168 HG23 VAL 21 3HG2 VAL 21 3.633 11.989 2.932 169 H VAL 22 H VAL 22 1.202 7.003 4.165 170 HA VAL 22 HA VAL 22 0.187 6.919 6.877 171 HB VAL 22 HB VAL 22 0.980 4.589 5.079 172 HG11 VAL 22 1HG1 VAL 22 -0.900 4.663 7.461 173 HG12 VAL 22 2HG1 VAL 22 0.710 3.937 7.439 174 HG13 VAL 22 3HG1 VAL 22 -0.578 3.256 6.442 175 HG21 VAL 22 1HG2 VAL 22 -1.374 4.436 4.386 176 HG22 VAL 22 2HG2 VAL 22 -0.669 5.984 3.907 177 HG23 VAL 22 3HG2 VAL 22 -1.745 5.898 5.305 178 H GLY 23 H GLY 23 1.346 6.339 8.685 179 HA2 GLY 23 1HA GLY 23 4.091 6.794 8.840 180 HA3 GLY 23 2HA GLY 23 3.133 5.999 10.076 181 H LEU 24 H LEU 24 5.823 5.588 8.401 182 HA LEU 24 HA LEU 24 5.675 3.149 7.024 183 HB2 LEU 24 1HB LEU 24 7.963 4.684 8.266 184 HB3 LEU 24 2HB LEU 24 8.253 3.111 7.542 185 HG LEU 24 HG LEU 24 7.528 3.940 5.343 186 HD11 LEU 24 1HD1 LEU 24 5.842 5.577 5.969 187 HD12 LEU 24 2HD1 LEU 24 7.043 6.296 4.898 188 HD13 LEU 24 3HD1 LEU 24 7.087 6.640 6.630 189 HD21 LEU 24 1HD2 LEU 24 9.877 4.121 5.913 190 HD22 LEU 24 2HD2 LEU 24 9.614 5.700 6.657 191 HD23 LEU 24 3HD2 LEU 24 9.404 5.499 4.916 192 H ASN 25 H ASN 25 6.206 3.827 10.431 193 HA ASN 25 HA ASN 25 6.996 1.179 11.187 194 HB2 ASN 25 1HB ASN 25 6.888 1.998 13.491 195 HB3 ASN 25 2HB ASN 25 7.693 3.180 12.470 196 HD21 ASN 25 1HD2 ASN 25 4.301 4.173 14.453 197 HD22 ASN 25 2HD2 ASN 25 4.939 2.567 14.482 198 H ILE 26 H ILE 26 3.881 2.811 10.841 199 HA ILE 26 HA ILE 26 2.485 0.586 12.197 200 HB ILE 26 HB ILE 26 0.411 1.813 12.050 201 HG12 ILE 26 1HG1 ILE 26 1.842 4.003 10.461 202 HG13 ILE 26 2HG1 ILE 26 0.756 2.811 9.765 203 HG21 ILE 26 1HG2 ILE 26 0.925 3.808 13.410 204 HG22 ILE 26 2HG2 ILE 26 2.622 3.708 12.929 205 HG23 ILE 26 3HG2 ILE 26 1.906 2.421 13.901 206 HD11 ILE 26 1HD1 ILE 26 0.003 4.940 11.764 207 HD12 ILE 26 2HD1 ILE 26 -1.083 3.702 11.126 208 HD13 ILE 26 3HD1 ILE 26 -0.380 4.899 10.042 209 H ILE 27 H ILE 27 3.481 1.436 9.019 210 HA ILE 27 HA ILE 27 1.462 0.045 7.539 211 HB ILE 27 HB ILE 27 4.356 0.718 6.863 212 HG12 ILE 27 1HG1 ILE 27 1.703 1.864 5.887 213 HG13 ILE 27 2HG1 ILE 27 2.804 2.638 7.017 214 HG21 ILE 27 1HG2 ILE 27 2.311 -0.572 5.023 215 HG22 ILE 27 2HG2 ILE 27 3.796 -1.320 5.614 216 HG23 ILE 27 3HG2 ILE 27 3.882 0.058 4.518 217 HD11 ILE 27 1HD1 ILE 27 4.498 2.746 5.211 218 HD12 ILE 27 2HD1 ILE 27 3.041 3.670 4.893 219 HD13 ILE 27 3HD1 ILE 27 3.289 2.122 4.085 220 H ASP 28 H ASP 28 0.998 -2.040 7.710 221 HA ASP 28 HA ASP 28 2.961 -3.958 8.795 222 HB2 ASP 28 1HB ASP 28 0.727 -3.768 9.889 223 HB3 ASP 28 2HB ASP 28 -0.045 -4.230 8.387 224 H ARG 29 H ARG 29 0.533 -3.759 6.181 225 HA ARG 29 HA ARG 29 2.163 -5.610 4.524 226 HB2 ARG 29 1HB ARG 29 -0.747 -5.794 5.246 227 HB3 ARG 29 2HB ARG 29 -0.383 -6.072 3.555 228 HG2 ARG 29 1HG ARG 29 -0.491 -8.189 4.628 229 HG3 ARG 29 2HG ARG 29 1.196 -7.882 4.222 230 HD2 ARG 29 1HD ARG 29 1.680 -7.326 6.567 231 HD3 ARG 29 2HD ARG 29 -0.034 -7.496 6.971 232 HE ARG 29 HE ARG 29 1.422 -9.804 5.866 233 HH11 ARG 29 1HH1 ARG 29 -0.178 -8.319 8.627 234 HH12 ARG 29 2HH1 ARG 29 -0.264 -9.796 9.527 235 HH21 ARG 29 1HH2 ARG 29 1.289 -11.738 7.040 236 HH22 ARG 29 2HH2 ARG 29 0.573 -11.749 8.621 237 H ILE 30 H ILE 30 2.382 -5.083 2.388 238 HA ILE 30 HA ILE 30 0.813 -2.840 1.216 239 HB ILE 30 HB ILE 30 3.795 -3.398 0.761 240 HG12 ILE 30 1HG1 ILE 30 2.436 -0.979 2.005 241 HG13 ILE 30 2HG1 ILE 30 3.367 -2.189 2.874 242 HG21 ILE 30 1HG2 ILE 30 2.048 -1.298 -0.558 243 HG22 ILE 30 2HG2 ILE 30 2.716 -2.727 -1.349 244 HG23 ILE 30 3HG2 ILE 30 3.791 -1.454 -0.766 245 HD11 ILE 30 1HD1 ILE 30 4.452 -0.248 0.824 246 HD12 ILE 30 2HD1 ILE 30 5.388 -1.481 1.676 247 HD13 ILE 30 3HD1 ILE 30 4.642 -0.164 2.575 248 H GLN 31 H GLN 31 -0.513 -3.957 -0.199 249 HA GLN 31 HA GLN 31 0.610 -6.258 -1.677 250 HB2 GLN 31 1HB GLN 31 -1.360 -6.803 -0.314 251 HB3 GLN 31 2HB GLN 31 -2.302 -5.563 -1.133 252 HG2 GLN 31 1HG GLN 31 -2.290 -6.800 -3.200 253 HG3 GLN 31 2HG GLN 31 -1.076 -7.925 -2.596 254 HE21 GLN 31 1HE2 GLN 31 -3.741 -9.296 -0.296 255 HE22 GLN 31 2HE2 GLN 31 -2.334 -8.343 0.004 256 H VAL 32 H VAL 32 1.086 -5.994 -3.696 257 HA VAL 32 HA VAL 32 0.026 -3.684 -5.205 258 HB VAL 32 HB VAL 32 1.716 -4.260 -6.942 259 HG11 VAL 32 1HG1 VAL 32 3.713 -3.576 -5.647 260 HG12 VAL 32 2HG1 VAL 32 2.874 -3.969 -4.145 261 HG13 VAL 32 3HG1 VAL 32 2.280 -2.660 -5.168 262 HG21 VAL 32 1HG2 VAL 32 1.884 -6.719 -6.568 263 HG22 VAL 32 2HG2 VAL 32 2.720 -6.426 -5.043 264 HG23 VAL 32 3HG2 VAL 32 3.468 -5.941 -6.564 265 H THR 33 H THR 33 -1.706 -3.930 -6.507 266 HA THR 33 HA THR 33 -2.269 -6.571 -7.714 267 HB THR 33 HB THR 33 -4.448 -4.775 -6.551 268 HG1 THR 33 1HG THR 33 -3.923 -5.649 -4.703 269 HG21 THR 33 1HG2 THR 33 -5.211 -6.240 -8.394 270 HG22 THR 33 2HG2 THR 33 -5.887 -6.764 -6.848 271 HG23 THR 33 3HG2 THR 33 -4.534 -7.641 -7.563 272 HA PRO 34 HA PRO 34 -2.360 -3.649 -11.374 273 HB2 PRO 34 2HB PRO 34 -1.586 -6.331 -12.531 274 HB3 PRO 34 1HB PRO 34 -0.941 -4.718 -12.911 275 HG2 PRO 34 2HG PRO 34 0.515 -6.379 -11.456 276 HG3 PRO 34 1HG PRO 34 0.412 -4.662 -10.986 277 HD2 PRO 34 2HD PRO 34 -1.062 -7.027 -9.820 278 HD3 PRO 34 1HD PRO 34 -0.247 -5.684 -8.980 279 HA PRO 35 HA PRO 35 -6.479 -5.000 -12.526 280 HB2 PRO 35 2HB PRO 35 -6.781 -4.029 -15.066 281 HB3 PRO 35 1HB PRO 35 -6.662 -2.956 -13.655 282 HG2 PRO 35 2HG PRO 35 -4.503 -3.723 -15.608 283 HG3 PRO 35 1HG PRO 35 -4.921 -2.113 -14.974 284 HD2 PRO 35 2HD PRO 35 -2.864 -3.574 -13.943 285 HD3 PRO 35 1HD PRO 35 -3.841 -2.476 -12.942 286 H GLY 36 H GLY 36 -7.661 -6.590 -13.672 287 HA2 GLY 36 1HA GLY 36 -7.180 -7.891 -16.014 288 HA3 GLY 36 2HA GLY 36 -6.137 -8.749 -14.885 289 H ASN 37 H ASN 37 -7.140 -9.751 -13.004 290 HA ASN 37 HA ASN 37 -9.859 -10.776 -13.635 291 HB2 ASN 37 1HB ASN 37 -7.966 -12.344 -14.216 292 HB3 ASN 37 2HB ASN 37 -7.484 -12.355 -12.522 293 HD21 ASN 37 1HD2 ASN 37 -9.336 -15.333 -12.365 294 HD22 ASN 37 2HD2 ASN 37 -7.772 -14.599 -12.411 295 H GLY 38 H GLY 38 -9.355 -8.585 -11.954 296 HA2 GLY 38 1HA GLY 38 -10.925 -9.265 -9.694 297 HA3 GLY 38 2HA GLY 38 -9.243 -9.076 -9.206 298 H CYS 39 H CYS 39 -8.194 -7.049 -9.753 299 HA CYS 39 HA CYS 39 -9.823 -4.769 -9.161 300 HB2 CYS 39 2HB CYS 39 -6.864 -5.121 -9.741 301 HB3 CYS 39 1HB CYS 39 -7.583 -3.536 -9.467 302 HA PRO 40 HA PRO 40 -10.386 -3.573 -13.576 303 HB2 PRO 40 2HB PRO 40 -11.725 -1.241 -13.232 304 HB3 PRO 40 1HB PRO 40 -12.485 -2.795 -12.816 305 HG2 PRO 40 2HG PRO 40 -11.139 -0.824 -10.972 306 HG3 PRO 40 1HG PRO 40 -12.715 -1.630 -10.786 307 HD2 PRO 40 2HD PRO 40 -10.449 -2.552 -9.559 308 HD3 PRO 40 1HD PRO 40 -11.766 -3.633 -10.066 309 H LYS 41 H LYS 41 -8.463 -2.107 -11.236 310 HA LYS 41 HA LYS 41 -6.905 -0.483 -13.117 311 HB2 LYS 41 1HB LYS 41 -6.953 1.463 -11.536 312 HB3 LYS 41 2HB LYS 41 -8.550 1.103 -12.189 313 HG2 LYS 41 1HG LYS 41 -9.109 -0.122 -10.087 314 HG3 LYS 41 2HG LYS 41 -7.533 0.318 -9.442 315 HD2 LYS 41 1HD LYS 41 -9.106 1.812 -8.471 316 HD3 LYS 41 2HD LYS 41 -8.213 2.744 -9.668 317 HE2 LYS 41 1HE LYS 41 -10.959 1.537 -10.141 318 HE3 LYS 41 2HE LYS 41 -10.682 3.194 -9.617 319 HZ1 LYS 41 1HZ LYS 41 -11.037 3.188 -11.948 320 HZ2 LYS 41 2HZ LYS 41 -9.885 1.984 -12.204 321 HZ3 LYS 41 3HZ LYS 41 -9.398 3.521 -11.701 322 H THR 42 H THR 42 -4.814 0.290 -11.871 323 HA THR 42 HA THR 42 -3.772 -1.913 -10.309 324 HB THR 42 HB THR 42 -2.415 0.759 -10.868 325 HG1 THR 42 1HG THR 42 -1.901 -1.600 -12.317 326 HG21 THR 42 1HG2 THR 42 -0.315 -0.563 -10.554 327 HG22 THR 42 2HG2 THR 42 -1.278 -1.968 -10.109 328 HG23 THR 42 3HG2 THR 42 -1.293 -0.534 -9.082 329 H GLU 43 H GLU 43 -4.274 -2.073 -8.236 330 HA GLU 43 HA GLU 43 -4.570 0.302 -6.477 331 HB2 GLU 43 1HB GLU 43 -5.938 -2.432 -6.385 332 HB3 GLU 43 2HB GLU 43 -6.086 -1.214 -5.116 333 HG2 GLU 43 1HG GLU 43 -7.243 0.302 -6.603 334 HG3 GLU 43 2HG GLU 43 -6.892 -0.715 -7.996 335 H VAL 44 H VAL 44 -2.932 0.466 -5.075 336 HA VAL 44 HA VAL 44 -1.560 -1.948 -4.076 337 HB VAL 44 HB VAL 44 -0.819 0.991 -3.667 338 HG11 VAL 44 1HG1 VAL 44 1.326 0.109 -2.800 339 HG12 VAL 44 2HG1 VAL 44 0.735 -1.537 -3.002 340 HG13 VAL 44 3HG1 VAL 44 -0.033 -0.459 -1.834 341 HG21 VAL 44 1HG2 VAL 44 0.414 -1.046 -5.567 342 HG22 VAL 44 2HG2 VAL 44 0.995 0.597 -5.304 343 HG23 VAL 44 3HG2 VAL 44 -0.583 0.333 -6.041 344 H VAL 45 H VAL 45 -2.776 -2.800 -2.480 345 HA VAL 45 HA VAL 45 -4.336 -1.097 -0.662 346 HB VAL 45 HB VAL 45 -4.300 -4.143 -0.907 347 HG11 VAL 45 1HG1 VAL 45 -6.425 -4.092 0.342 348 HG12 VAL 45 2HG1 VAL 45 -6.290 -2.339 0.495 349 HG13 VAL 45 3HG1 VAL 45 -5.109 -3.385 1.290 350 HG21 VAL 45 1HG2 VAL 45 -6.442 -3.931 -2.143 351 HG22 VAL 45 2HG2 VAL 45 -5.107 -3.175 -3.017 352 HG23 VAL 45 3HG2 VAL 45 -6.264 -2.175 -2.136 353 H ILE 46 H ILE 46 -3.180 -0.376 1.035 354 HA ILE 46 HA ILE 46 -1.120 -2.009 2.353 355 HB ILE 46 HB ILE 46 -1.856 0.936 2.712 356 HG12 ILE 46 1HG1 ILE 46 0.516 -0.356 1.301 357 HG13 ILE 46 2HG1 ILE 46 -0.804 0.514 0.531 358 HG21 ILE 46 1HG2 ILE 46 0.464 -0.585 3.951 359 HG22 ILE 46 2HG2 ILE 46 -0.959 0.004 4.814 360 HG23 ILE 46 3HG2 ILE 46 0.175 1.150 4.097 361 HD11 ILE 46 1HD1 ILE 46 1.301 1.704 2.346 362 HD12 ILE 46 2HD1 ILE 46 -0.061 2.581 1.636 363 HD13 ILE 46 3HD1 ILE 46 1.166 1.872 0.597 364 H TRP 47 H TRP 47 -1.672 -3.114 4.166 365 HA TRP 47 HA TRP 47 -3.940 -2.233 5.841 366 HB2 TRP 47 2HB TRP 47 -2.321 -4.819 5.785 367 HB3 TRP 47 1HB TRP 47 -3.479 -4.448 7.061 368 HD1 TRP 47 1HD TRP 47 -6.081 -4.494 6.420 369 HE1 TRP 47 1HE TRP 47 -7.356 -5.608 4.483 370 HE3 TRP 47 3HE TRP 47 -2.164 -5.452 3.265 371 HZ2 TRP 47 2HZ TRP 47 -6.796 -6.767 1.993 372 HZ3 TRP 47 3HZ TRP 47 -2.621 -6.583 1.132 373 HH2 TRP 47 2HH TRP 47 -4.896 -7.226 0.502 374 H THR 48 H THR 48 -3.551 -1.156 7.699 375 HA THR 48 HA THR 48 -0.816 -0.691 8.625 376 HB THR 48 HB THR 48 -1.956 0.783 10.335 377 HG1 THR 48 1HG THR 48 -4.365 0.643 8.955 378 HG21 THR 48 1HG2 THR 48 -1.253 1.746 8.165 379 HG22 THR 48 2HG2 THR 48 -2.726 2.511 8.762 380 HG23 THR 48 3HG2 THR 48 -2.817 1.316 7.465 381 H LYS 49 H LYS 49 -0.454 -0.879 11.098 382 HA LYS 49 HA LYS 49 -0.952 -3.530 12.054 383 HB2 LYS 49 1HB LYS 49 0.239 -1.108 13.470 384 HB3 LYS 49 2HB LYS 49 0.252 -2.751 14.105 385 HG2 LYS 49 1HG LYS 49 1.649 -3.475 12.183 386 HG3 LYS 49 2HG LYS 49 1.634 -1.826 11.562 387 HD2 LYS 49 1HD LYS 49 3.737 -2.081 12.636 388 HD3 LYS 49 2HD LYS 49 2.758 -1.125 13.741 389 HE2 LYS 49 1HE LYS 49 3.186 -4.115 14.021 390 HE3 LYS 49 2HE LYS 49 4.167 -2.898 14.830 391 HZ1 LYS 49 1HZ LYS 49 2.153 -2.103 15.936 392 HZ2 LYS 49 2HZ LYS 49 2.490 -3.709 16.309 393 HZ3 LYS 49 3HZ LYS 49 1.257 -3.335 15.211 394 H MET 50 H MET 50 -2.702 -0.628 12.154 395 HA MET 50 HA MET 50 -4.361 -1.196 14.465 396 HB2 MET 50 1HB MET 50 -4.783 0.811 12.194 397 HB3 MET 50 2HB MET 50 -5.646 0.787 13.726 398 HG2 MET 50 1HG MET 50 -3.565 1.355 14.913 399 HG3 MET 50 2HG MET 50 -2.687 1.367 13.384 400 HE1 MET 50 1HE MET 50 -3.361 3.034 11.358 401 HE2 MET 50 2HE MET 50 -4.379 4.457 11.564 402 HE3 MET 50 3HE MET 50 -5.110 2.854 11.516 403 H LYS 51 H LYS 51 -4.092 -2.489 11.407 404 HA LYS 51 HA LYS 51 -5.242 -3.897 10.111 405 HB2 LYS 51 1HB LYS 51 -7.378 -3.813 12.268 406 HB3 LYS 51 2HB LYS 51 -7.440 -4.883 10.870 407 HG2 LYS 51 1HG LYS 51 -5.371 -6.010 11.627 408 HG3 LYS 51 2HG LYS 51 -5.280 -4.924 13.020 409 HD2 LYS 51 1HD LYS 51 -6.225 -7.140 13.621 410 HD3 LYS 51 2HD LYS 51 -7.380 -5.834 13.899 411 HE2 LYS 51 1HE LYS 51 -8.464 -7.800 12.880 412 HE3 LYS 51 2HE LYS 51 -8.541 -6.409 11.798 413 HZ1 LYS 51 1HZ LYS 51 -6.773 -7.317 10.489 414 HZ2 LYS 51 2HZ LYS 51 -7.942 -8.516 10.689 415 HZ3 LYS 51 3HZ LYS 51 -6.522 -8.579 11.593 416 H LYS 52 H LYS 52 -5.839 -0.817 10.338 417 HA LYS 52 HA LYS 52 -8.285 -0.519 8.856 418 HB2 LYS 52 1HB LYS 52 -6.139 1.383 9.805 419 HB3 LYS 52 2HB LYS 52 -7.200 1.919 8.509 420 HG2 LYS 52 1HG LYS 52 -8.069 2.720 10.621 421 HG3 LYS 52 2HG LYS 52 -9.170 1.514 9.953 422 HD2 LYS 52 1HD LYS 52 -8.158 -0.186 11.501 423 HD3 LYS 52 2HD LYS 52 -7.180 1.097 12.216 424 HE2 LYS 52 1HE LYS 52 -9.111 0.691 13.629 425 HE3 LYS 52 2HE LYS 52 -9.297 2.274 12.877 426 HZ1 LYS 52 1HZ LYS 52 -10.664 -0.249 12.090 427 HZ2 LYS 52 2HZ LYS 52 -10.752 1.180 11.200 428 HZ3 LYS 52 3HZ LYS 52 -11.371 1.126 12.769 429 H VAL 53 H VAL 53 -8.575 -0.548 6.764 430 HA VAL 53 HA VAL 53 -6.453 -1.225 4.899 431 HB VAL 53 HB VAL 53 -9.459 -0.933 4.435 432 HG11 VAL 53 1HG1 VAL 53 -8.175 -0.816 2.335 433 HG12 VAL 53 2HG1 VAL 53 -9.118 -2.309 2.421 434 HG13 VAL 53 3HG1 VAL 53 -7.381 -2.342 2.734 435 HG21 VAL 53 1HG2 VAL 53 -8.951 -2.633 6.162 436 HG22 VAL 53 2HG2 VAL 53 -7.908 -3.473 5.010 437 HG23 VAL 53 3HG2 VAL 53 -9.639 -3.344 4.699 438 H ILE 54 H ILE 54 -5.310 0.501 4.189 439 HA ILE 54 HA ILE 54 -6.718 2.849 3.012 440 HB ILE 54 HB ILE 54 -3.879 2.789 4.180 441 HG12 ILE 54 1HG1 ILE 54 -6.338 4.177 5.337 442 HG13 ILE 54 2HG1 ILE 54 -5.678 2.664 5.940 443 HG21 ILE 54 1HG2 ILE 54 -3.872 5.233 3.805 444 HG22 ILE 54 2HG2 ILE 54 -5.479 5.134 3.086 445 HG23 ILE 54 3HG2 ILE 54 -4.107 4.360 2.287 446 HD11 ILE 54 1HD1 ILE 54 -4.291 5.345 5.981 447 HD12 ILE 54 2HD1 ILE 54 -3.602 3.817 6.539 448 HD13 ILE 54 3HD1 ILE 54 -5.014 4.493 7.346 449 H CYS 55 H CYS 55 -6.418 2.952 0.795 450 HA CYS 55 HA CYS 55 -4.232 1.357 -0.400 451 HB2 CYS 55 2HB CYS 55 -6.659 2.485 -1.837 452 HB3 CYS 55 1HB CYS 55 -5.501 1.311 -2.452 453 H VAL 56 H VAL 56 -2.991 2.302 -2.027 454 HA VAL 56 HA VAL 56 -3.111 5.217 -2.400 455 HB VAL 56 HB VAL 56 -0.604 5.341 -2.296 456 HG11 VAL 56 1HG1 VAL 56 -1.913 4.464 0.300 457 HG12 VAL 56 2HG1 VAL 56 -1.894 6.100 -0.365 458 HG13 VAL 56 3HG1 VAL 56 -0.390 5.344 0.160 459 HG21 VAL 56 1HG2 VAL 56 -0.126 2.939 -2.675 460 HG22 VAL 56 2HG2 VAL 56 -0.739 2.569 -1.060 461 HG23 VAL 56 3HG2 VAL 56 0.702 3.570 -1.250 462 H ASN 57 H ASN 57 -1.890 5.885 -4.300 463 HA ASN 57 HA ASN 57 -2.281 4.175 -6.574 464 HB2 ASN 57 1HB ASN 57 -1.402 6.124 -7.873 465 HB3 ASN 57 2HB ASN 57 -2.705 6.572 -6.778 466 HD21 ASN 57 1HD2 ASN 57 0.243 8.966 -6.616 467 HD22 ASN 57 2HD2 ASN 57 -0.552 8.219 -7.951 468 HA PRO 58 HA PRO 58 1.864 2.339 -6.771 469 HB2 PRO 58 2HB PRO 58 2.114 1.894 -9.473 470 HB3 PRO 58 1HB PRO 58 0.997 0.951 -8.456 471 HG2 PRO 58 2HG PRO 58 0.365 3.393 -10.126 472 HG3 PRO 58 1HG PRO 58 -0.449 1.818 -10.114 473 HD2 PRO 58 2HD PRO 58 -1.479 3.826 -8.705 474 HD3 PRO 58 1HD PRO 58 -1.453 2.189 -8.006 475 H ARG 59 H ARG 59 1.013 5.245 -8.461 476 HA ARG 59 HA ARG 59 3.711 5.928 -9.279 477 HB2 ARG 59 1HB ARG 59 1.123 7.522 -9.459 478 HB3 ARG 59 2HB ARG 59 2.656 7.977 -10.188 479 HG2 ARG 59 1HG ARG 59 2.558 5.924 -11.607 480 HG3 ARG 59 2HG ARG 59 0.970 5.551 -10.929 481 HD2 ARG 59 1HD ARG 59 0.759 6.654 -13.124 482 HD3 ARG 59 2HD ARG 59 0.089 7.668 -11.840 483 HE ARG 59 HE ARG 59 2.858 8.215 -12.512 484 HH11 ARG 59 1HH1 ARG 59 -0.498 9.080 -13.202 485 HH12 ARG 59 2HH1 ARG 59 -0.080 10.630 -13.847 486 HH21 ARG 59 1HH2 ARG 59 3.375 10.239 -13.341 487 HH22 ARG 59 2HH2 ARG 59 2.127 11.293 -13.926 488 H ALA 60 H ALA 60 2.251 5.970 -6.319 489 HA ALA 60 HA ALA 60 2.926 8.496 -5.245 490 HB1 ALA 60 1HB ALA 60 2.824 7.373 -3.025 491 HB2 ALA 60 2HB ALA 60 2.757 5.804 -3.833 492 HB3 ALA 60 3HB ALA 60 1.445 6.959 -4.047 493 H LYS 61 H LYS 61 4.828 9.376 -4.888 494 HA LYS 61 HA LYS 61 7.245 8.262 -5.805 495 HB2 LYS 61 1HB LYS 61 6.339 10.775 -5.620 496 HB3 LYS 61 2HB LYS 61 7.159 10.760 -4.070 497 HG2 LYS 61 1HG LYS 61 8.522 10.190 -6.728 498 HG3 LYS 61 2HG LYS 61 8.453 11.786 -5.979 499 HD2 LYS 61 1HD LYS 61 9.754 10.994 -4.066 500 HD3 LYS 61 2HD LYS 61 9.722 9.341 -4.685 501 HE2 LYS 61 1HE LYS 61 11.048 10.065 -6.648 502 HE3 LYS 61 2HE LYS 61 11.095 11.709 -6.009 503 HZ1 LYS 61 1HZ LYS 61 13.110 10.464 -5.506 504 HZ2 LYS 61 2HZ LYS 61 12.215 9.316 -4.652 505 HZ3 LYS 61 3HZ LYS 61 12.304 10.909 -4.096 506 H TRP 62 H TRP 62 6.076 9.020 -2.519 507 HA TRP 62 HA TRP 62 8.414 8.243 -1.111 508 HB2 TRP 62 2HB TRP 62 7.078 8.503 0.923 509 HB3 TRP 62 1HB TRP 62 6.729 9.820 -0.188 510 HD1 TRP 62 1HD TRP 62 4.237 9.849 -1.306 511 HE1 TRP 62 1HE TRP 62 2.021 8.811 -0.527 512 HE3 TRP 62 3HE TRP 62 6.053 6.483 2.103 513 HZ2 TRP 62 2HZ TRP 62 1.149 6.843 1.284 514 HZ3 TRP 62 3HZ TRP 62 4.458 5.061 3.318 515 HH2 TRP 62 2HH TRP 62 2.049 5.234 2.916 516 H LEU 63 H LEU 63 5.578 6.489 -2.163 517 HA LEU 63 HA LEU 63 5.668 4.165 -0.593 518 HB2 LEU 63 1HB LEU 63 3.740 4.738 -1.944 519 HB3 LEU 63 2HB LEU 63 4.699 4.709 -3.413 520 HG LEU 63 HG LEU 63 4.997 2.199 -3.056 521 HD11 LEU 63 1HD1 LEU 63 3.337 1.042 -1.641 522 HD12 LEU 63 2HD1 LEU 63 2.887 2.598 -0.944 523 HD13 LEU 63 3HD1 LEU 63 4.520 1.974 -0.727 524 HD21 LEU 63 1HD2 LEU 63 2.833 1.625 -4.003 525 HD22 LEU 63 2HD2 LEU 63 3.461 3.099 -4.720 526 HD23 LEU 63 3HD2 LEU 63 2.176 3.184 -3.516 527 H GLN 64 H GLN 64 7.199 4.978 -3.682 528 HA GLN 64 HA GLN 64 8.160 2.473 -4.432 529 HB2 GLN 64 1HB GLN 64 9.127 5.273 -5.105 530 HB3 GLN 64 2HB GLN 64 9.752 3.826 -5.897 531 HG2 GLN 64 1HG GLN 64 6.834 4.672 -5.892 532 HG3 GLN 64 2HG GLN 64 7.973 4.959 -7.207 533 HE21 GLN 64 1HE2 GLN 64 5.901 1.743 -7.573 534 HE22 GLN 64 2HE2 GLN 64 5.452 3.268 -6.907 535 H ARG 65 H ARG 65 9.541 4.823 -2.236 536 HA ARG 65 HA ARG 65 12.174 3.809 -2.030 537 HB2 ARG 65 1HB ARG 65 10.522 5.304 0.049 538 HB3 ARG 65 2HB ARG 65 12.266 5.063 0.118 539 HG2 ARG 65 1HG ARG 65 12.462 6.369 -2.038 540 HG3 ARG 65 2HG ARG 65 10.735 6.716 -1.927 541 HD2 ARG 65 1HD ARG 65 12.014 8.603 -1.063 542 HD3 ARG 65 2HD ARG 65 11.123 7.836 0.256 543 HE ARG 65 HE ARG 65 13.820 6.852 -0.033 544 HH11 ARG 65 1HH1 ARG 65 11.891 9.396 1.479 545 HH12 ARG 65 2HH1 ARG 65 13.070 9.706 2.713 546 HH21 ARG 65 1HH2 ARG 65 15.337 7.288 1.583 547 HH22 ARG 65 2HH2 ARG 65 15.017 8.518 2.769 548 H LEU 66 H LEU 66 9.139 3.042 -0.403 549 HA LEU 66 HA LEU 66 10.214 1.203 1.522 550 HB2 LEU 66 1HB LEU 66 7.394 1.852 0.617 551 HB3 LEU 66 2HB LEU 66 7.697 0.499 1.691 552 HG LEU 66 HG LEU 66 8.663 2.056 3.385 553 HD11 LEU 66 1HD1 LEU 66 7.824 4.265 1.506 554 HD12 LEU 66 2HD1 LEU 66 9.476 3.844 1.976 555 HD13 LEU 66 3HD1 LEU 66 8.353 4.478 3.174 556 HD21 LEU 66 1HD2 LEU 66 6.542 3.093 4.075 557 HD22 LEU 66 2HD2 LEU 66 6.328 1.424 3.551 558 HD23 LEU 66 3HD2 LEU 66 5.860 2.751 2.482 559 H LEU 67 H LEU 67 8.651 0.913 -1.660 560 HA LEU 67 HA LEU 67 8.420 -1.905 -1.755 561 HB2 LEU 67 1HB LEU 67 8.679 0.079 -4.055 562 HB3 LEU 67 2HB LEU 67 8.194 -1.599 -4.237 563 HG LEU 67 HG LEU 67 6.625 0.574 -2.781 564 HD11 LEU 67 1HD1 LEU 67 4.979 0.297 -4.577 565 HD12 LEU 67 2HD1 LEU 67 6.046 -0.847 -5.392 566 HD13 LEU 67 3HD1 LEU 67 6.540 0.837 -5.189 567 HD21 LEU 67 1HD2 LEU 67 6.248 -1.528 -1.642 568 HD22 LEU 67 2HD2 LEU 67 5.935 -2.355 -3.170 569 HD23 LEU 67 3HD2 LEU 67 4.819 -1.116 -2.586 570 H ARG 68 H ARG 68 11.098 0.270 -2.590 571 HA ARG 68 HA ARG 68 12.786 -1.858 -3.623 572 HB2 ARG 68 1HB ARG 68 13.428 1.031 -2.924 573 HB3 ARG 68 2HB ARG 68 14.552 -0.090 -3.692 574 HG2 ARG 68 1HG ARG 68 12.874 -0.307 -5.591 575 HG3 ARG 68 2HG ARG 68 11.974 1.016 -4.843 576 HD2 ARG 68 1HD ARG 68 13.398 1.879 -6.627 577 HD3 ARG 68 2HD ARG 68 13.969 2.471 -5.066 578 HE ARG 68 HE ARG 68 15.787 0.910 -5.173 579 HH11 ARG 68 1HH1 ARG 68 14.031 1.270 -8.232 580 HH12 ARG 68 2HH1 ARG 68 15.347 0.666 -9.184 581 HH21 ARG 68 1HH2 ARG 68 17.464 0.073 -6.447 582 HH22 ARG 68 2HH2 ARG 68 17.287 -0.009 -8.170 583 H HIS 69 H HIS 69 12.336 -0.189 -0.542 584 HA HIS 69 HA HIS 69 14.726 -1.000 0.746 585 HB2 HIS 69 1HB HIS 69 13.214 0.868 1.520 586 HB3 HIS 69 2HB HIS 69 12.054 -0.342 2.054 587 HD1 HIS 69 HD1 HIS 69 15.345 1.212 2.940 588 HD2 HIS 69 HD2 HIS 69 12.747 -1.643 4.468 589 HE1 HIS 69 HE1 HIS 69 16.157 0.712 5.263 590 HE2 HIS 69 HE2 HIS 69 14.495 -0.917 6.195 591 H VAL 70 H VAL 70 11.455 -2.420 0.708 592 HA VAL 70 HA VAL 70 11.959 -4.510 2.550 593 HB VAL 70 HB VAL 70 9.858 -5.542 1.790 594 HG11 VAL 70 1HG1 VAL 70 9.715 -3.713 3.402 595 HG12 VAL 70 2HG1 VAL 70 8.318 -3.684 2.325 596 HG13 VAL 70 3HG1 VAL 70 9.635 -2.528 2.096 597 HG21 VAL 70 1HG2 VAL 70 10.044 -5.154 -0.636 598 HG22 VAL 70 2HG2 VAL 70 9.793 -3.423 -0.393 599 HG23 VAL 70 3HG2 VAL 70 8.499 -4.563 -0.016 600 H GLN 71 H GLN 71 12.824 -4.205 -0.776 601 HA GLN 71 HA GLN 71 13.026 -6.966 -1.482 602 HB2 GLN 71 1HB GLN 71 14.427 -4.488 -2.583 603 HB3 GLN 71 2HB GLN 71 14.556 -6.085 -3.317 604 HG2 GLN 71 1HG GLN 71 12.153 -6.093 -3.782 605 HG3 GLN 71 2HG GLN 71 11.971 -4.542 -2.966 606 HE21 GLN 71 1HE2 GLN 71 12.101 -3.179 -6.195 607 HE22 GLN 71 2HE2 GLN 71 11.133 -3.546 -4.809 608 H SER 72 H SER 72 15.551 -4.576 -0.517 609 HA SER 72 HA SER 72 16.950 -6.481 1.124 610 HB2 SER 72 1HB SER 72 17.766 -7.196 -1.123 611 HB3 SER 72 2HB SER 72 18.379 -5.568 -1.421 612 HG SER 72 HG SER 72 19.842 -7.322 -0.516 613 H LYS 73 H LYS 73 18.354 -5.535 2.550 614 HA LYS 73 HA LYS 73 18.649 -2.585 2.528 615 HB2 LYS 73 1HB LYS 73 18.682 -4.629 4.798 616 HB3 LYS 73 2HB LYS 73 19.388 -3.034 5.009 617 HG2 LYS 73 1HG LYS 73 17.160 -3.085 5.966 618 HG3 LYS 73 2HG LYS 73 17.194 -1.987 4.587 619 HD2 LYS 73 1HD LYS 73 15.122 -3.281 4.589 620 HD3 LYS 73 2HD LYS 73 16.098 -3.726 3.191 621 HE2 LYS 73 1HE LYS 73 16.840 -5.774 4.400 622 HE3 LYS 73 2HE LYS 73 15.822 -5.310 5.767 623 HZ1 LYS 73 1HZ LYS 73 14.693 -6.903 4.376 624 HZ2 LYS 73 2HZ LYS 73 14.859 -5.902 3.019 625 HZ3 LYS 73 3HZ LYS 73 13.892 -5.416 4.309 626 H SER 74 H SER 74 20.684 -1.742 2.274 627 HA SER 74 HA SER 74 23.060 -3.519 2.467 628 HB2 SER 74 1HB SER 74 22.713 -2.335 0.276 629 HB3 SER 74 2HB SER 74 22.781 -0.790 1.119 630 HG SER 74 HG SER 74 24.803 -2.330 0.236 631 H LEU 75 H LEU 75 23.665 -3.444 4.595 632 HA LEU 75 HA LEU 75 23.379 -1.086 6.240 633 HB2 LEU 75 1HB LEU 75 23.036 -3.312 7.239 634 HB3 LEU 75 2HB LEU 75 24.681 -3.773 6.841 635 HG LEU 75 HG LEU 75 25.519 -1.973 8.413 636 HD11 LEU 75 1HD1 LEU 75 22.615 -1.689 9.199 637 HD12 LEU 75 2HD1 LEU 75 23.625 -0.474 8.411 638 HD13 LEU 75 3HD1 LEU 75 23.990 -0.985 10.056 639 HD21 LEU 75 1HD2 LEU 75 23.759 -4.075 9.693 640 HD22 LEU 75 2HD2 LEU 75 25.059 -3.185 10.493 641 HD23 LEU 75 3HD2 LEU 75 25.430 -4.282 9.164 642 H SER 76 H SER 76 24.817 0.500 6.343 643 HA SER 76 HA SER 76 27.723 -0.049 6.024 644 HB2 SER 76 1HB SER 76 27.924 2.410 5.593 645 HB3 SER 76 2HB SER 76 26.856 1.631 4.427 646 HG SER 76 HG SER 76 25.306 2.393 6.395 647 H SER 77 H SER 77 28.867 0.000 7.888 648 HA SER 77 HA SER 77 27.603 0.817 10.382 649 HB2 SER 77 1HB SER 77 29.768 -0.106 11.380 650 HB3 SER 77 2HB SER 77 28.798 -1.264 10.470 651 HG SER 77 HG SER 77 30.819 0.164 9.142 652 H THR 78 H THR 78 28.184 2.549 11.618 653 HA THR 78 HA THR 78 29.427 4.792 10.348 654 HB THR 78 HB THR 78 28.903 5.962 12.522 655 HG1 THR 78 1HG THR 78 29.137 3.848 13.730 656 HG21 THR 78 1HG2 THR 78 27.174 5.871 10.749 657 HG22 THR 78 2HG2 THR 78 26.443 5.812 12.353 658 HG23 THR 78 3HG2 THR 78 26.589 4.331 11.405 659 HA PRO 79 HA PRO 79 33.699 4.198 11.942 660 HB2 PRO 79 2HB PRO 79 33.808 7.202 11.760 661 HB3 PRO 79 1HB PRO 79 34.918 5.991 11.081 662 HG2 PRO 79 2HG PRO 79 33.224 7.275 9.482 663 HG3 PRO 79 1HG PRO 79 33.537 5.537 9.253 664 HD2 PRO 79 2HD PRO 79 31.154 6.866 10.544 665 HD3 PRO 79 1HD PRO 79 31.212 5.476 9.431 666 H GLN 80 H GLN 80 34.768 4.411 13.923 667 HA GLN 80 HA GLN 80 33.201 5.222 16.221 668 HB2 GLN 80 1HB GLN 80 34.986 4.338 17.581 669 HB3 GLN 80 2HB GLN 80 34.769 3.240 16.223 670 HG2 GLN 80 1HG GLN 80 36.765 4.145 15.127 671 HG3 GLN 80 2HG GLN 80 36.946 5.343 16.404 672 HE21 GLN 80 1HE2 GLN 80 38.309 1.565 16.928 673 HE22 GLN 80 2HE2 GLN 80 37.388 2.000 15.536 674 H ALA 81 H ALA 81 33.786 6.813 17.761 675 HA ALA 81 HA ALA 81 34.980 9.226 16.645 676 HB1 ALA 81 1HB ALA 81 33.660 8.708 19.335 677 HB2 ALA 81 2HB ALA 81 32.886 9.397 17.907 678 HB3 ALA 81 3HB ALA 81 34.165 10.293 18.726 679 HA PRO 82 HA PRO 82 38.970 8.538 18.767 680 HB2 PRO 82 2HB PRO 82 40.020 11.069 18.595 681 HB3 PRO 82 1HB PRO 82 39.902 9.997 17.183 682 HG2 PRO 82 2HG PRO 82 38.057 12.226 18.004 683 HG3 PRO 82 1HG PRO 82 38.722 11.863 16.395 684 HD2 PRO 82 2HD PRO 82 36.201 11.121 17.099 685 HD3 PRO 82 1HD PRO 82 37.194 10.142 15.998 686 H VAL 83 H VAL 83 40.172 9.503 20.702 687 HA VAL 83 HA VAL 83 38.226 10.466 22.748 688 HB VAL 83 HB VAL 83 40.655 8.664 23.220 689 HG11 VAL 83 1HG1 VAL 83 38.415 9.432 25.123 690 HG12 VAL 83 2HG1 VAL 83 40.075 10.026 25.196 691 HG13 VAL 83 3HG1 VAL 83 39.736 8.316 25.479 692 HG21 VAL 83 1HG2 VAL 83 37.721 7.875 23.131 693 HG22 VAL 83 2HG2 VAL 83 39.055 6.813 23.589 694 HG23 VAL 83 3HG2 VAL 83 38.948 7.435 21.939 695 H SER 84 H SER 84 38.767 12.280 23.895 696 HA SER 84 HA SER 84 41.180 13.758 23.258 697 HB2 SER 84 1HB SER 84 40.147 15.465 24.845 698 HB3 SER 84 2HB SER 84 39.132 15.025 23.472 699 HG SER 84 HG SER 84 37.736 14.763 25.048 700 H LYS 85 H LYS 85 42.655 14.577 24.882 701 HA LYS 85 HA LYS 85 43.643 12.470 26.607 702 HB2 LYS 85 1HB LYS 85 45.557 14.002 26.951 703 HB3 LYS 85 2HB LYS 85 45.177 13.811 25.242 704 HG2 LYS 85 1HG LYS 85 44.025 15.970 25.209 705 HG3 LYS 85 2HG LYS 85 44.302 16.184 26.936 706 HD2 LYS 85 1HD LYS 85 46.582 15.904 24.944 707 HD3 LYS 85 2HD LYS 85 45.842 17.461 25.318 708 HE2 LYS 85 1HE LYS 85 46.442 17.104 27.729 709 HE3 LYS 85 2HE LYS 85 47.303 15.636 27.264 710 HZ1 LYS 85 1HZ LYS 85 48.747 17.580 27.474 711 HZ2 LYS 85 2HZ LYS 85 47.914 18.342 26.223 712 HZ3 LYS 85 3HZ LYS 85 48.778 16.923 25.915 713 H ARG 86 H ARG 86 44.820 13.686 28.719 714 HA ARG 86 HA ARG 86 42.901 15.283 30.253 715 HB2 ARG 86 1HB ARG 86 42.391 12.841 30.683 716 HB3 ARG 86 2HB ARG 86 44.028 12.631 31.287 717 HG2 ARG 86 1HG ARG 86 43.544 14.173 33.152 718 HG3 ARG 86 2HG ARG 86 41.912 14.429 32.527 719 HD2 ARG 86 1HD ARG 86 41.882 12.826 34.379 720 HD3 ARG 86 2HD ARG 86 41.407 12.034 32.874 721 HE ARG 86 HE ARG 86 43.955 11.410 32.866 722 HH11 ARG 86 1HH1 ARG 86 41.809 11.351 35.692 723 HH12 ARG 86 2HH1 ARG 86 42.712 10.093 36.477 724 HH21 ARG 86 1HH2 ARG 86 45.107 9.801 33.917 725 HH22 ARG 86 2HH2 ARG 86 44.586 9.211 35.462 726 H ARG 87 H ARG 87 43.958 16.151 32.269 727 HA ARG 87 HA ARG 87 46.454 17.335 31.834 728 HB2 ARG 87 1HB ARG 87 44.971 16.886 34.460 729 HB3 ARG 87 2HB ARG 87 46.352 17.967 34.273 730 HG2 ARG 87 1HG ARG 87 45.058 19.381 32.740 731 HG3 ARG 87 2HG ARG 87 43.683 18.279 32.860 732 HD2 ARG 87 1HD ARG 87 44.870 19.974 35.082 733 HD3 ARG 87 2HD ARG 87 43.295 20.184 34.312 734 HE ARG 87 HE ARG 87 44.035 17.883 36.030 735 HH11 ARG 87 1HH1 ARG 87 41.572 20.173 34.936 736 HH12 ARG 87 2HH1 ARG 87 40.348 19.518 35.975 737 HH21 ARG 87 1HH2 ARG 87 42.401 17.026 37.337 738 HH22 ARG 87 2HH2 ARG 87 40.817 17.739 37.331 739 H ALA 88 H ALA 88 48.522 16.955 32.647 740 HA ALA 88 HA ALA 88 49.146 14.234 33.639 741 HB1 ALA 88 1HB ALA 88 51.458 14.724 32.947 742 HB2 ALA 88 2HB ALA 88 50.982 16.359 32.475 743 HB3 ALA 88 3HB ALA 88 50.330 14.966 31.610 744 H ALA 89 H ALA 89 50.030 17.640 34.236 745 HA ALA 89 HA ALA 89 49.814 17.392 37.103 746 HB1 ALA 89 1HB ALA 89 52.160 17.953 37.643 747 HB2 ALA 89 2HB ALA 89 52.588 17.886 35.931 748 HB3 ALA 89 3HB ALA 89 52.079 16.418 36.770 Start of MODEL 6 1 H1 MET 1 1H MET 1 6.936 -4.483 7.495 2 H2 MET 1 2H MET 1 7.635 -5.475 6.320 3 H3 MET 1 3H MET 1 6.538 -6.120 7.422 4 HA MET 1 HA MET 1 4.760 -4.806 6.519 5 HB2 MET 1 1HB MET 1 6.776 -3.923 4.389 6 HB3 MET 1 2HB MET 1 5.084 -3.447 4.491 7 HG2 MET 1 1HG MET 1 6.459 -1.615 5.233 8 HG3 MET 1 2HG MET 1 5.608 -2.270 6.638 9 HE1 MET 1 1HE MET 1 7.166 -1.255 8.454 10 HE2 MET 1 2HE MET 1 8.037 -0.372 7.198 11 HE3 MET 1 3HE MET 1 8.926 -1.310 8.398 12 H ILE 2 H ILE 2 3.857 -6.809 6.118 13 HA ILE 2 HA ILE 2 4.942 -8.866 4.523 14 HB ILE 2 HB ILE 2 1.971 -8.471 5.149 15 HG12 ILE 2 1HG1 ILE 2 4.071 -9.907 6.845 16 HG13 ILE 2 2HG1 ILE 2 3.285 -8.385 7.252 17 HG21 ILE 2 1HG2 ILE 2 2.448 -10.202 3.429 18 HG22 ILE 2 2HG2 ILE 2 1.776 -10.907 4.894 19 HG23 ILE 2 3HG2 ILE 2 3.504 -11.041 4.564 20 HD11 ILE 2 1HD1 ILE 2 1.123 -9.547 7.384 21 HD12 ILE 2 2HD1 ILE 2 2.318 -10.204 8.502 22 HD13 ILE 2 3HD1 ILE 2 1.936 -11.074 7.017 23 H LEU 3 H LEU 3 5.495 -8.258 2.481 24 HA LEU 3 HA LEU 3 3.789 -6.669 0.764 25 HB2 LEU 3 1HB LEU 3 6.241 -6.377 0.678 26 HB3 LEU 3 2HB LEU 3 6.451 -8.069 0.273 27 HG LEU 3 HG LEU 3 5.320 -7.664 -1.928 28 HD11 LEU 3 1HD1 LEU 3 3.921 -5.759 -1.454 29 HD12 LEU 3 2HD1 LEU 3 5.025 -5.346 -2.759 30 HD13 LEU 3 3HD1 LEU 3 5.326 -4.740 -1.129 31 HD21 LEU 3 1HD2 LEU 3 7.208 -6.507 -3.010 32 HD22 LEU 3 2HD2 LEU 3 7.767 -7.656 -1.798 33 HD23 LEU 3 3HD2 LEU 3 7.769 -5.927 -1.437 34 H GLU 4 H GLU 4 2.074 -7.632 -0.100 35 HA GLU 4 HA GLU 4 2.108 -10.462 -0.926 36 HB2 GLU 4 1HB GLU 4 -0.158 -8.520 -0.302 37 HB3 GLU 4 2HB GLU 4 -0.435 -10.117 -0.993 38 HG2 GLU 4 1HG GLU 4 0.831 -9.523 1.693 39 HG3 GLU 4 2HG GLU 4 -0.801 -10.122 1.431 40 H ALA 5 H ALA 5 2.640 -10.691 -2.998 41 HA ALA 5 HA ALA 5 1.805 -8.855 -5.102 42 HB1 ALA 5 1HB ALA 5 2.960 -10.462 -6.602 43 HB2 ALA 5 2HB ALA 5 3.235 -11.546 -5.235 44 HB3 ALA 5 3HB ALA 5 4.008 -9.960 -5.272 45 H HIS 6 H HIS 6 -0.201 -9.015 -5.960 46 HA HIS 6 HA HIS 6 -2.002 -11.053 -4.976 47 HB2 HIS 6 1HB HIS 6 -2.669 -8.655 -5.117 48 HB3 HIS 6 2HB HIS 6 -2.529 -8.719 -6.868 49 HD1 HIS 6 HD1 HIS 6 -4.792 -9.451 -4.082 50 HD2 HIS 6 HD2 HIS 6 -4.614 -10.320 -8.143 51 HE1 HIS 6 HE1 HIS 6 -7.092 -10.196 -4.709 52 HE2 HIS 6 HE2 HIS 6 -6.980 -10.656 -7.175 53 H TYR 7 H TYR 7 -1.501 -12.961 -5.902 54 HA TYR 7 HA TYR 7 -1.784 -13.285 -8.841 55 HB2 TYR 7 2HB TYR 7 0.490 -13.820 -7.924 56 HB3 TYR 7 1HB TYR 7 -0.229 -15.026 -6.866 57 HD1 TYR 7 1HD TYR 7 0.010 -17.258 -7.605 58 HD2 TYR 7 2HD TYR 7 -0.241 -14.172 -10.555 59 HE1 TYR 7 1HE TYR 7 0.295 -18.932 -9.389 60 HE2 TYR 7 2HE TYR 7 0.036 -15.845 -12.329 61 HH TYR 7 HH TYR 7 1.029 -18.120 -12.580 62 H THR 8 H THR 8 -2.836 -14.213 -5.686 63 HA THR 8 HA THR 8 -4.294 -16.581 -6.293 64 HB THR 8 HB THR 8 -5.407 -16.109 -4.043 65 HG1 THR 8 1HG THR 8 -4.655 -14.323 -2.862 66 HG21 THR 8 1HG2 THR 8 -3.371 -16.443 -2.685 67 HG22 THR 8 2HG2 THR 8 -2.363 -15.956 -4.048 68 HG23 THR 8 3HG2 THR 8 -3.317 -17.439 -4.142 69 H ASN 9 H ASN 9 -6.488 -16.871 -6.632 70 HA ASN 9 HA ASN 9 -7.977 -14.860 -8.032 71 HB2 ASN 9 1HB ASN 9 -8.898 -17.587 -6.994 72 HB3 ASN 9 2HB ASN 9 -9.823 -16.557 -8.081 73 HD21 ASN 9 1HD2 ASN 9 -6.785 -18.845 -9.487 74 HD22 ASN 9 2HD2 ASN 9 -7.090 -18.686 -7.797 75 H LEU 10 H LEU 10 -8.203 -13.170 -6.708 76 HA LEU 10 HA LEU 10 -10.196 -13.283 -4.562 77 HB2 LEU 10 1HB LEU 10 -7.835 -13.559 -3.621 78 HB3 LEU 10 2HB LEU 10 -7.454 -11.967 -4.227 79 HG LEU 10 HG LEU 10 -9.566 -12.515 -2.090 80 HD11 LEU 10 1HD1 LEU 10 -6.696 -11.577 -1.714 81 HD12 LEU 10 2HD1 LEU 10 -7.333 -13.171 -1.299 82 HD13 LEU 10 3HD1 LEU 10 -7.921 -11.747 -0.450 83 HD21 LEU 10 1HD2 LEU 10 -8.282 -9.877 -2.907 84 HD22 LEU 10 2HD2 LEU 10 -9.420 -10.117 -1.578 85 HD23 LEU 10 3HD2 LEU 10 -9.948 -10.367 -3.238 86 H LYS 11 H LYS 11 -11.520 -11.528 -4.741 87 HA LYS 11 HA LYS 11 -11.083 -9.633 -6.926 88 HB2 LYS 11 1HB LYS 11 -13.471 -10.144 -5.092 89 HB3 LYS 11 2HB LYS 11 -13.455 -8.941 -6.378 90 HG2 LYS 11 1HG LYS 11 -13.162 -10.676 -8.070 91 HG3 LYS 11 2HG LYS 11 -13.047 -11.916 -6.816 92 HD2 LYS 11 1HD LYS 11 -15.282 -11.914 -7.838 93 HD3 LYS 11 2HD LYS 11 -15.374 -11.464 -6.136 94 HE2 LYS 11 1HE LYS 11 -15.581 -9.092 -6.760 95 HE3 LYS 11 2HE LYS 11 -15.430 -9.517 -8.467 96 HZ1 LYS 11 1HZ LYS 11 -17.726 -9.197 -7.861 97 HZ2 LYS 11 2HZ LYS 11 -17.618 -10.371 -6.653 98 HZ3 LYS 11 3HZ LYS 11 -17.461 -10.813 -8.274 99 H CYS 12 H CYS 12 -9.818 -7.891 -6.435 100 HA CYS 12 HA CYS 12 -9.363 -6.896 -3.802 101 HB2 CYS 12 2HB CYS 12 -8.767 -5.546 -6.460 102 HB3 CYS 12 1HB CYS 12 -8.084 -5.098 -4.903 103 H ARG 13 H ARG 13 -10.874 -5.867 -2.685 104 HA ARG 13 HA ARG 13 -12.817 -4.082 -4.006 105 HB2 ARG 13 1HB ARG 13 -12.917 -5.452 -1.288 106 HB3 ARG 13 2HB ARG 13 -14.132 -4.332 -1.898 107 HG2 ARG 13 1HG ARG 13 -14.596 -5.893 -3.779 108 HG3 ARG 13 2HG ARG 13 -13.435 -7.034 -3.092 109 HD2 ARG 13 1HD ARG 13 -15.831 -7.540 -2.526 110 HD3 ARG 13 2HD ARG 13 -14.794 -7.324 -1.110 111 HE ARG 13 HE ARG 13 -16.496 -5.125 -2.146 112 HH11 ARG 13 1HH1 ARG 13 -15.509 -7.158 0.551 113 HH12 ARG 13 2HH1 ARG 13 -16.414 -6.243 1.714 114 HH21 ARG 13 1HH2 ARG 13 -17.590 -3.881 -0.575 115 HH22 ARG 13 2HH2 ARG 13 -17.585 -4.398 1.082 116 H CYS 14 H CYS 14 -11.375 -2.338 -4.170 117 HA CYS 14 HA CYS 14 -11.397 -0.691 -1.728 118 HB2 CYS 14 2HB CYS 14 -9.049 -1.302 -2.085 119 HB3 CYS 14 1HB CYS 14 -9.141 -0.791 -3.772 120 H SER 15 H SER 15 -11.830 1.514 -2.104 121 HA SER 15 HA SER 15 -13.506 1.979 -4.462 122 HB2 SER 15 1HB SER 15 -13.247 3.479 -1.813 123 HB3 SER 15 2HB SER 15 -14.407 3.874 -3.088 124 HG SER 15 HG SER 15 -15.214 1.717 -2.861 125 H GLY 16 H GLY 16 -10.487 2.164 -4.556 126 HA2 GLY 16 1HA GLY 16 -9.486 3.534 -6.325 127 HA3 GLY 16 2HA GLY 16 -10.254 4.942 -5.594 128 H VAL 17 H VAL 17 -7.757 5.375 -5.943 129 HA VAL 17 HA VAL 17 -6.160 4.414 -3.640 130 HB VAL 17 HB VAL 17 -4.158 5.030 -5.085 131 HG11 VAL 17 1HG1 VAL 17 -4.245 2.939 -6.417 132 HG12 VAL 17 2HG1 VAL 17 -5.985 2.825 -6.133 133 HG13 VAL 17 3HG1 VAL 17 -4.858 2.696 -4.780 134 HG21 VAL 17 1HG2 VAL 17 -4.451 5.224 -7.532 135 HG22 VAL 17 2HG2 VAL 17 -5.301 6.529 -6.704 136 HG23 VAL 17 3HG2 VAL 17 -6.207 5.160 -7.345 137 H ILE 18 H ILE 18 -5.103 5.846 -2.332 138 HA ILE 18 HA ILE 18 -5.746 8.743 -2.618 139 HB ILE 18 HB ILE 18 -5.363 7.348 0.079 140 HG12 ILE 18 1HG1 ILE 18 -8.101 7.623 -1.260 141 HG13 ILE 18 2HG1 ILE 18 -7.192 6.121 -1.181 142 HG21 ILE 18 1HG2 ILE 18 -6.721 9.220 0.938 143 HG22 ILE 18 2HG2 ILE 18 -6.913 9.857 -0.695 144 HG23 ILE 18 3HG2 ILE 18 -5.314 9.812 0.056 145 HD11 ILE 18 1HD1 ILE 18 -8.241 7.662 1.195 146 HD12 ILE 18 2HD1 ILE 18 -7.336 6.145 1.259 147 HD13 ILE 18 3HD1 ILE 18 -8.928 6.193 0.505 148 H SER 19 H SER 19 -3.963 10.135 -2.308 149 HA SER 19 HA SER 19 -1.315 8.966 -2.339 150 HB2 SER 19 1HB SER 19 -2.204 11.877 -2.444 151 HB3 SER 19 2HB SER 19 -0.544 11.319 -2.688 152 HG SER 19 HG SER 19 -1.265 10.132 -4.483 153 H THR 20 H THR 20 -3.103 9.228 0.269 154 HA THR 20 HA THR 20 -1.856 10.860 2.178 155 HB THR 20 HB THR 20 -2.811 9.091 3.863 156 HG1 THR 20 1HG THR 20 -2.839 7.434 2.108 157 HG21 THR 20 1HG2 THR 20 -5.141 9.811 3.501 158 HG22 THR 20 2HG2 THR 20 -4.717 10.407 1.896 159 HG23 THR 20 3HG2 THR 20 -4.023 11.167 3.329 160 H VAL 21 H VAL 21 0.083 10.753 3.141 161 HA VAL 21 HA VAL 21 1.826 8.470 2.827 162 HB VAL 21 HB VAL 21 2.850 10.684 2.681 163 HG11 VAL 21 1HG1 VAL 21 2.006 11.168 5.562 164 HG12 VAL 21 2HG1 VAL 21 1.498 12.072 4.135 165 HG13 VAL 21 3HG1 VAL 21 3.169 12.159 4.677 166 HG21 VAL 21 1HG2 VAL 21 3.830 9.174 5.131 167 HG22 VAL 21 2HG2 VAL 21 4.782 10.312 4.176 168 HG23 VAL 21 3HG2 VAL 21 4.228 8.803 3.453 169 H VAL 22 H VAL 22 1.602 6.747 4.046 170 HA VAL 22 HA VAL 22 0.297 6.797 6.673 171 HB VAL 22 HB VAL 22 1.229 4.358 5.069 172 HG11 VAL 22 1HG1 VAL 22 -0.795 4.579 7.330 173 HG12 VAL 22 2HG1 VAL 22 0.827 3.888 7.447 174 HG13 VAL 22 3HG1 VAL 22 -0.394 3.103 6.443 175 HG21 VAL 22 1HG2 VAL 22 -0.351 5.651 3.690 176 HG22 VAL 22 2HG2 VAL 22 -1.527 5.655 5.007 177 HG23 VAL 22 3HG2 VAL 22 -1.084 4.135 4.225 178 H GLY 23 H GLY 23 1.357 6.159 8.565 179 HA2 GLY 23 1HA GLY 23 4.108 6.767 8.830 180 HA3 GLY 23 2HA GLY 23 3.069 6.082 10.074 181 H LEU 24 H LEU 24 5.856 5.506 8.627 182 HA LEU 24 HA LEU 24 5.716 2.997 7.373 183 HB2 LEU 24 1HB LEU 24 7.999 4.603 8.544 184 HB3 LEU 24 2HB LEU 24 8.292 2.978 7.952 185 HG LEU 24 HG LEU 24 7.641 3.614 5.681 186 HD11 LEU 24 1HD1 LEU 24 7.104 5.913 5.023 187 HD12 LEU 24 2HD1 LEU 24 7.077 6.402 6.719 188 HD13 LEU 24 3HD1 LEU 24 5.890 5.246 6.112 189 HD21 LEU 24 1HD2 LEU 24 9.481 5.165 5.150 190 HD22 LEU 24 2HD2 LEU 24 9.978 3.939 6.312 191 HD23 LEU 24 3HD2 LEU 24 9.631 5.580 6.860 192 H ASN 25 H ASN 25 5.932 3.791 10.763 193 HA ASN 25 HA ASN 25 6.826 1.181 11.624 194 HB2 ASN 25 1HB ASN 25 6.748 2.006 13.869 195 HB3 ASN 25 2HB ASN 25 7.332 3.341 12.884 196 HD21 ASN 25 1HD2 ASN 25 4.558 5.435 13.568 197 HD22 ASN 25 2HD2 ASN 25 5.899 5.140 12.521 198 H ILE 26 H ILE 26 3.718 2.704 11.029 199 HA ILE 26 HA ILE 26 2.288 0.504 12.376 200 HB ILE 26 HB ILE 26 0.219 1.737 12.121 201 HG12 ILE 26 1HG1 ILE 26 1.764 3.922 10.633 202 HG13 ILE 26 2HG1 ILE 26 0.671 2.774 9.872 203 HG21 ILE 26 1HG2 ILE 26 1.614 2.307 14.063 204 HG22 ILE 26 2HG2 ILE 26 0.695 3.714 13.530 205 HG23 ILE 26 3HG2 ILE 26 2.412 3.586 13.141 206 HD11 ILE 26 1HD1 ILE 26 -0.409 4.908 10.157 207 HD12 ILE 26 2HD1 ILE 26 -0.088 4.882 11.891 208 HD13 ILE 26 3HD1 ILE 26 -1.192 3.702 11.180 209 H ILE 27 H ILE 27 3.350 1.417 9.220 210 HA ILE 27 HA ILE 27 1.457 0.023 7.624 211 HB ILE 27 HB ILE 27 4.430 0.504 7.103 212 HG12 ILE 27 1HG1 ILE 27 1.946 1.994 6.143 213 HG13 ILE 27 2HG1 ILE 27 3.155 2.590 7.264 214 HG21 ILE 27 1HG2 ILE 27 2.308 -0.453 5.137 215 HG22 ILE 27 2HG2 ILE 27 3.656 -1.406 5.756 216 HG23 ILE 27 3HG2 ILE 27 3.968 -0.011 4.726 217 HD11 ILE 27 1HD1 ILE 27 3.511 2.075 4.322 218 HD12 ILE 27 2HD1 ILE 27 4.823 2.508 5.423 219 HD13 ILE 27 3HD1 ILE 27 3.485 3.624 5.165 220 H ASP 28 H ASP 28 0.901 -2.030 7.969 221 HA ASP 28 HA ASP 28 2.793 -3.951 9.157 222 HB2 ASP 28 1HB ASP 28 0.474 -3.505 10.139 223 HB3 ASP 28 2HB ASP 28 -0.205 -4.287 8.727 224 H ARG 29 H ARG 29 0.616 -3.575 6.358 225 HA ARG 29 HA ARG 29 1.960 -5.766 4.900 226 HB2 ARG 29 1HB ARG 29 -1.093 -5.507 5.066 227 HB3 ARG 29 2HB ARG 29 -0.188 -6.748 4.201 228 HG2 ARG 29 1HG ARG 29 0.562 -7.733 6.278 229 HG3 ARG 29 2HG ARG 29 -0.098 -6.387 7.198 230 HD2 ARG 29 1HD ARG 29 -2.407 -7.118 6.325 231 HD3 ARG 29 2HD ARG 29 -1.601 -8.611 5.807 232 HE ARG 29 HE ARG 29 -1.083 -7.878 8.548 233 HH11 ARG 29 1HH1 ARG 29 -3.320 -9.657 6.481 234 HH12 ARG 29 2HH1 ARG 29 -3.889 -10.657 7.778 235 HH21 ARG 29 1HH2 ARG 29 -1.845 -9.167 10.217 236 HH22 ARG 29 2HH2 ARG 29 -3.048 -10.375 9.900 237 H ILE 30 H ILE 30 2.096 -5.392 2.712 238 HA ILE 30 HA ILE 30 0.705 -3.073 1.485 239 HB ILE 30 HB ILE 30 3.663 -3.831 1.173 240 HG12 ILE 30 1HG1 ILE 30 2.361 -1.295 2.268 241 HG13 ILE 30 2HG1 ILE 30 3.243 -2.501 3.195 242 HG21 ILE 30 1HG2 ILE 30 2.153 -1.688 -0.371 243 HG22 ILE 30 2HG2 ILE 30 2.744 -3.212 -1.034 244 HG23 ILE 30 3HG2 ILE 30 3.887 -2.001 -0.461 245 HD11 ILE 30 1HD1 ILE 30 4.589 -0.538 2.862 246 HD12 ILE 30 2HD1 ILE 30 4.406 -0.653 1.113 247 HD13 ILE 30 3HD1 ILE 30 5.303 -1.896 1.993 248 H GLN 31 H GLN 31 -0.682 -4.081 0.045 249 HA GLN 31 HA GLN 31 0.294 -6.436 -1.475 250 HB2 GLN 31 1HB GLN 31 -1.664 -6.953 -0.097 251 HB3 GLN 31 2HB GLN 31 -2.557 -5.604 -0.791 252 HG2 GLN 31 1HG GLN 31 -2.693 -6.698 -2.937 253 HG3 GLN 31 2HG GLN 31 -1.585 -7.970 -2.428 254 HE21 GLN 31 1HE2 GLN 31 -4.296 -9.190 -0.103 255 HE22 GLN 31 2HE2 GLN 31 -2.776 -8.420 0.181 256 H VAL 32 H VAL 32 0.796 -6.055 -3.506 257 HA VAL 32 HA VAL 32 -0.241 -3.729 -4.959 258 HB VAL 32 HB VAL 32 1.415 -4.277 -6.723 259 HG11 VAL 32 1HG1 VAL 32 2.095 -2.794 -4.884 260 HG12 VAL 32 2HG1 VAL 32 3.470 -3.731 -5.454 261 HG13 VAL 32 3HG1 VAL 32 2.670 -4.172 -3.943 262 HG21 VAL 32 1HG2 VAL 32 1.506 -6.745 -6.515 263 HG22 VAL 32 2HG2 VAL 32 2.346 -6.598 -4.971 264 HG23 VAL 32 3HG2 VAL 32 3.120 -6.037 -6.453 265 H THR 33 H THR 33 -2.038 -3.920 -6.073 266 HA THR 33 HA THR 33 -3.060 -6.546 -6.915 267 HB THR 33 HB THR 33 -5.300 -5.611 -6.755 268 HG1 THR 33 1HG THR 33 -5.698 -3.497 -6.600 269 HG21 THR 33 1HG2 THR 33 -5.447 -4.952 -4.366 270 HG22 THR 33 2HG2 THR 33 -3.699 -4.712 -4.318 271 HG23 THR 33 3HG2 THR 33 -4.361 -6.329 -4.576 272 HA PRO 34 HA PRO 34 -2.422 -4.825 -11.114 273 HB2 PRO 34 2HB PRO 34 -2.780 -7.094 -12.547 274 HB3 PRO 34 1HB PRO 34 -1.355 -6.883 -11.510 275 HG2 PRO 34 2HG PRO 34 -3.863 -8.434 -10.959 276 HG3 PRO 34 1HG PRO 34 -2.171 -8.891 -10.653 277 HD2 PRO 34 2HD PRO 34 -3.862 -7.847 -8.723 278 HD3 PRO 34 1HD PRO 34 -2.088 -7.740 -8.656 279 HA PRO 35 HA PRO 35 -6.700 -3.845 -12.267 280 HB2 PRO 35 2HB PRO 35 -6.283 -2.904 -14.834 281 HB3 PRO 35 1HB PRO 35 -5.838 -1.978 -13.387 282 HG2 PRO 35 2HG PRO 35 -4.093 -3.673 -15.142 283 HG3 PRO 35 1HG PRO 35 -3.781 -2.054 -14.472 284 HD2 PRO 35 2HD PRO 35 -2.732 -4.279 -13.342 285 HD3 PRO 35 1HD PRO 35 -3.230 -2.882 -12.362 286 H GLY 36 H GLY 36 -8.429 -4.852 -13.325 287 HA2 GLY 36 1HA GLY 36 -8.757 -6.057 -15.672 288 HA3 GLY 36 2HA GLY 36 -7.893 -7.325 -14.808 289 H ASN 37 H ASN 37 -9.358 -8.848 -14.407 290 HA ASN 37 HA ASN 37 -12.148 -8.342 -14.086 291 HB2 ASN 37 1HB ASN 37 -12.354 -10.813 -13.809 292 HB3 ASN 37 2HB ASN 37 -11.425 -10.370 -15.231 293 HD21 ASN 37 1HD2 ASN 37 -9.847 -13.170 -13.131 294 HD22 ASN 37 2HD2 ASN 37 -11.510 -12.851 -13.489 295 H GLY 38 H GLY 38 -9.662 -9.595 -11.822 296 HA2 GLY 38 1HA GLY 38 -11.478 -9.868 -9.597 297 HA3 GLY 38 2HA GLY 38 -9.728 -10.046 -9.558 298 H CYS 39 H CYS 39 -8.782 -7.648 -10.355 299 HA CYS 39 HA CYS 39 -9.657 -5.838 -8.184 300 HB2 CYS 39 2HB CYS 39 -6.921 -5.904 -9.510 301 HB3 CYS 39 1HB CYS 39 -7.359 -5.153 -7.976 302 HA PRO 40 HA PRO 40 -11.212 -3.272 -11.473 303 HB2 PRO 40 2HB PRO 40 -11.379 -0.813 -10.219 304 HB3 PRO 40 1HB PRO 40 -12.471 -2.165 -9.854 305 HG2 PRO 40 2HG PRO 40 -10.020 -1.276 -8.365 306 HG3 PRO 40 1HG PRO 40 -11.615 -1.740 -7.728 307 HD2 PRO 40 2HD PRO 40 -9.530 -3.458 -7.705 308 HD3 PRO 40 1HD PRO 40 -11.197 -4.024 -7.961 309 H LYS 41 H LYS 41 -8.377 -1.980 -9.782 310 HA LYS 41 HA LYS 41 -7.098 -1.161 -12.263 311 HB2 LYS 41 1HB LYS 41 -6.666 1.165 -11.446 312 HB3 LYS 41 2HB LYS 41 -8.362 0.837 -11.787 313 HG2 LYS 41 1HG LYS 41 -8.910 0.722 -9.443 314 HG3 LYS 41 2HG LYS 41 -7.206 0.722 -8.991 315 HD2 LYS 41 1HD LYS 41 -8.142 2.915 -8.527 316 HD3 LYS 41 2HD LYS 41 -6.990 3.054 -9.852 317 HE2 LYS 41 1HE LYS 41 -8.894 3.094 -11.463 318 HE3 LYS 41 2HE LYS 41 -10.022 2.996 -10.112 319 HZ1 LYS 41 1HZ LYS 41 -9.126 5.104 -9.314 320 HZ2 LYS 41 2HZ LYS 41 -9.767 5.251 -10.867 321 HZ3 LYS 41 3HZ LYS 41 -8.095 5.189 -10.648 322 H THR 42 H THR 42 -4.837 -0.221 -11.706 323 HA THR 42 HA THR 42 -3.443 -1.967 -9.961 324 HB THR 42 HB THR 42 -2.376 0.750 -10.865 325 HG1 THR 42 1HG THR 42 -1.760 -1.282 -12.565 326 HG21 THR 42 1HG2 THR 42 -0.933 -0.594 -9.330 327 HG22 THR 42 2HG2 THR 42 -0.199 -0.411 -10.925 328 HG23 THR 42 3HG2 THR 42 -0.979 -1.930 -10.482 329 H GLU 43 H GLU 43 -3.720 -1.911 -7.804 330 HA GLU 43 HA GLU 43 -3.862 0.705 -6.373 331 HB2 GLU 43 1HB GLU 43 -5.450 -1.807 -5.633 332 HB3 GLU 43 2HB GLU 43 -5.512 -0.257 -4.802 333 HG2 GLU 43 1HG GLU 43 -6.609 0.779 -6.692 334 HG3 GLU 43 2HG GLU 43 -6.382 -0.661 -7.677 335 H VAL 44 H VAL 44 -2.851 0.690 -4.308 336 HA VAL 44 HA VAL 44 -1.401 -1.790 -3.555 337 HB VAL 44 HB VAL 44 -0.396 1.082 -3.147 338 HG11 VAL 44 1HG1 VAL 44 0.895 -1.582 -2.421 339 HG12 VAL 44 2HG1 VAL 44 0.266 -0.375 -1.296 340 HG13 VAL 44 3HG1 VAL 44 1.669 -0.002 -2.289 341 HG21 VAL 44 1HG2 VAL 44 -0.169 0.472 -5.496 342 HG22 VAL 44 2HG2 VAL 44 0.570 -1.073 -5.076 343 HG23 VAL 44 3HG2 VAL 44 1.426 0.429 -4.749 344 H VAL 45 H VAL 45 -2.650 -2.569 -1.964 345 HA VAL 45 HA VAL 45 -4.104 -0.768 -0.168 346 HB VAL 45 HB VAL 45 -4.272 -3.818 -0.374 347 HG11 VAL 45 1HG1 VAL 45 -6.370 -3.581 0.918 348 HG12 VAL 45 2HG1 VAL 45 -6.077 -1.845 1.076 349 HG13 VAL 45 3HG1 VAL 45 -4.970 -3.000 1.825 350 HG21 VAL 45 1HG2 VAL 45 -6.124 -1.723 -1.596 351 HG22 VAL 45 2HG2 VAL 45 -6.410 -3.465 -1.585 352 HG23 VAL 45 3HG2 VAL 45 -5.042 -2.805 -2.478 353 H ILE 46 H ILE 46 -2.922 -0.085 1.470 354 HA ILE 46 HA ILE 46 -0.992 -1.800 2.849 355 HB ILE 46 HB ILE 46 -1.596 1.180 3.176 356 HG12 ILE 46 1HG1 ILE 46 0.782 -0.283 1.926 357 HG13 ILE 46 2HG1 ILE 46 -0.396 0.717 1.083 358 HG21 ILE 46 1HG2 ILE 46 0.575 -0.445 4.566 359 HG22 ILE 46 2HG2 ILE 46 -0.895 0.163 5.338 360 HG23 ILE 46 3HG2 ILE 46 0.305 1.295 4.721 361 HD11 ILE 46 1HD1 ILE 46 1.651 1.677 3.085 362 HD12 ILE 46 2HD1 ILE 46 0.454 2.694 2.274 363 HD13 ILE 46 3HD1 ILE 46 1.698 1.874 1.336 364 H TRP 47 H TRP 47 -1.895 -3.089 4.377 365 HA TRP 47 HA TRP 47 -4.043 -2.151 6.144 366 HB2 TRP 47 2HB TRP 47 -2.417 -4.742 6.065 367 HB3 TRP 47 1HB TRP 47 -3.556 -4.378 7.360 368 HD1 TRP 47 1HD TRP 47 -6.141 -4.563 6.816 369 HE1 TRP 47 1HE TRP 47 -7.462 -5.572 4.847 370 HE3 TRP 47 3HE TRP 47 -2.321 -5.138 3.493 371 HZ2 TRP 47 2HZ TRP 47 -6.947 -6.540 2.263 372 HZ3 TRP 47 3HZ TRP 47 -2.814 -6.130 1.302 373 HH2 TRP 47 2HH TRP 47 -5.078 -6.817 0.690 374 H THR 48 H THR 48 -3.627 -1.119 8.030 375 HA THR 48 HA THR 48 -0.877 -0.841 9.002 376 HB THR 48 HB THR 48 -1.915 0.691 10.719 377 HG1 THR 48 1HG THR 48 -4.312 0.739 9.291 378 HG21 THR 48 1HG2 THR 48 -2.670 1.333 7.841 379 HG22 THR 48 2HG2 THR 48 -1.085 1.607 8.569 380 HG23 THR 48 3HG2 THR 48 -2.488 2.506 9.149 381 H LYS 49 H LYS 49 -0.612 -1.074 11.443 382 HA LYS 49 HA LYS 49 -0.952 -3.788 12.170 383 HB2 LYS 49 1HB LYS 49 -0.038 -1.397 13.841 384 HB3 LYS 49 2HB LYS 49 0.069 -3.073 14.375 385 HG2 LYS 49 1HG LYS 49 1.615 -3.585 12.527 386 HG3 LYS 49 2HG LYS 49 1.486 -1.922 11.948 387 HD2 LYS 49 1HD LYS 49 3.568 -2.247 13.207 388 HD3 LYS 49 2HD LYS 49 2.514 -1.097 14.029 389 HE2 LYS 49 1HE LYS 49 1.823 -2.856 15.609 390 HE3 LYS 49 2HE LYS 49 2.856 -4.023 14.777 391 HZ1 LYS 49 1HZ LYS 49 3.967 -3.176 16.712 392 HZ2 LYS 49 2HZ LYS 49 3.749 -1.576 16.205 393 HZ3 LYS 49 3HZ LYS 49 4.768 -2.606 15.335 394 H MET 50 H MET 50 -2.882 -0.986 12.745 395 HA MET 50 HA MET 50 -4.529 -2.206 14.839 396 HB2 MET 50 1HB MET 50 -4.729 0.518 13.478 397 HB3 MET 50 2HB MET 50 -5.672 -0.001 14.869 398 HG2 MET 50 1HG MET 50 -3.661 -0.094 16.244 399 HG3 MET 50 2HG MET 50 -2.659 0.300 14.847 400 HE1 MET 50 1HE MET 50 -4.491 2.517 13.389 401 HE2 MET 50 2HE MET 50 -2.747 2.700 13.591 402 HE3 MET 50 3HE MET 50 -3.836 3.997 14.086 403 H LYS 51 H LYS 51 -4.333 -2.753 11.695 404 HA LYS 51 HA LYS 51 -5.590 -3.780 10.148 405 HB2 LYS 51 1HB LYS 51 -7.608 -3.915 12.410 406 HB3 LYS 51 2HB LYS 51 -7.972 -4.566 10.817 407 HG2 LYS 51 1HG LYS 51 -5.680 -5.458 12.599 408 HG3 LYS 51 2HG LYS 51 -7.206 -6.316 12.355 409 HD2 LYS 51 1HD LYS 51 -6.621 -6.450 9.874 410 HD3 LYS 51 2HD LYS 51 -5.032 -5.799 10.288 411 HE2 LYS 51 1HE LYS 51 -4.904 -8.220 10.082 412 HE3 LYS 51 2HE LYS 51 -4.644 -7.771 11.769 413 HZ1 LYS 51 1HZ LYS 51 -6.126 -9.651 11.618 414 HZ2 LYS 51 2HZ LYS 51 -7.175 -8.805 10.596 415 HZ3 LYS 51 3HZ LYS 51 -6.982 -8.315 12.197 416 H LYS 52 H LYS 52 -5.845 -0.702 10.635 417 HA LYS 52 HA LYS 52 -8.248 -0.052 9.166 418 HB2 LYS 52 1HB LYS 52 -5.794 1.609 9.881 419 HB3 LYS 52 2HB LYS 52 -7.050 2.233 8.816 420 HG2 LYS 52 1HG LYS 52 -7.512 3.072 11.012 421 HG3 LYS 52 2HG LYS 52 -8.725 1.845 10.649 422 HD2 LYS 52 1HD LYS 52 -7.261 0.200 11.964 423 HD3 LYS 52 2HD LYS 52 -6.329 1.599 12.502 424 HE2 LYS 52 1HE LYS 52 -7.994 0.958 14.184 425 HE3 LYS 52 2HE LYS 52 -8.382 2.550 13.527 426 HZ1 LYS 52 1HZ LYS 52 -10.326 1.097 13.732 427 HZ2 LYS 52 2HZ LYS 52 -9.627 0.000 12.655 428 HZ3 LYS 52 3HZ LYS 52 -10.048 1.548 12.130 429 H VAL 53 H VAL 53 -8.566 -0.262 7.118 430 HA VAL 53 HA VAL 53 -6.481 -1.187 5.296 431 HB VAL 53 HB VAL 53 -9.502 -0.919 4.848 432 HG11 VAL 53 1HG1 VAL 53 -7.446 -2.551 3.310 433 HG12 VAL 53 2HG1 VAL 53 -8.226 -1.070 2.749 434 HG13 VAL 53 3HG1 VAL 53 -9.185 -2.526 3.004 435 HG21 VAL 53 1HG2 VAL 53 -8.999 -2.396 6.778 436 HG22 VAL 53 2HG2 VAL 53 -7.978 -3.392 5.742 437 HG23 VAL 53 3HG2 VAL 53 -9.707 -3.291 5.432 438 H ILE 54 H ILE 54 -5.332 0.503 4.499 439 HA ILE 54 HA ILE 54 -6.723 2.874 3.366 440 HB ILE 54 HB ILE 54 -3.781 2.600 4.198 441 HG12 ILE 54 1HG1 ILE 54 -6.035 4.105 5.625 442 HG13 ILE 54 2HG1 ILE 54 -5.344 2.580 6.160 443 HG21 ILE 54 1HG2 ILE 54 -5.313 5.080 3.287 444 HG22 ILE 54 2HG2 ILE 54 -4.094 4.214 2.349 445 HG23 ILE 54 3HG2 ILE 54 -3.633 5.044 3.832 446 HD11 ILE 54 1HD1 ILE 54 -3.934 5.239 6.031 447 HD12 ILE 54 2HD1 ILE 54 -3.178 3.710 6.491 448 HD13 ILE 54 3HD1 ILE 54 -4.480 4.381 7.470 449 H CYS 55 H CYS 55 -6.391 3.307 1.175 450 HA CYS 55 HA CYS 55 -4.668 1.478 -0.394 451 HB2 CYS 55 2HB CYS 55 -7.067 3.117 -1.315 452 HB3 CYS 55 1HB CYS 55 -6.090 2.055 -2.329 453 H VAL 56 H VAL 56 -3.045 2.356 -1.485 454 HA VAL 56 HA VAL 56 -2.792 5.275 -1.784 455 HB VAL 56 HB VAL 56 -0.350 5.105 -1.379 456 HG11 VAL 56 1HG1 VAL 56 -0.430 4.699 1.108 457 HG12 VAL 56 2HG1 VAL 56 -2.076 4.102 0.918 458 HG13 VAL 56 3HG1 VAL 56 -1.696 5.778 0.517 459 HG21 VAL 56 1HG2 VAL 56 -0.049 2.712 -2.024 460 HG22 VAL 56 2HG2 VAL 56 -0.830 2.219 -0.521 461 HG23 VAL 56 3HG2 VAL 56 0.699 3.093 -0.473 462 H ASN 57 H ASN 57 -1.499 5.925 -3.596 463 HA ASN 57 HA ASN 57 -2.001 4.229 -5.910 464 HB2 ASN 57 1HB ASN 57 -1.500 6.218 -7.248 465 HB3 ASN 57 2HB ASN 57 -2.584 6.659 -5.940 466 HD21 ASN 57 1HD2 ASN 57 1.018 8.424 -6.275 467 HD22 ASN 57 2HD2 ASN 57 0.484 7.207 -7.375 468 HA PRO 58 HA PRO 58 1.981 2.317 -6.098 469 HB2 PRO 58 2HB PRO 58 2.278 1.981 -8.856 470 HB3 PRO 58 1HB PRO 58 1.220 0.978 -7.839 471 HG2 PRO 58 2HG PRO 58 0.494 3.383 -9.495 472 HG3 PRO 58 1HG PRO 58 -0.321 1.806 -9.394 473 HD2 PRO 58 2HD PRO 58 -1.296 3.871 -8.037 474 HD3 PRO 58 1HD PRO 58 -1.239 2.266 -7.269 475 H ARG 59 H ARG 59 1.492 5.188 -8.098 476 HA ARG 59 HA ARG 59 4.353 5.570 -8.579 477 HB2 ARG 59 1HB ARG 59 1.939 7.175 -9.527 478 HB3 ARG 59 2HB ARG 59 3.599 7.415 -10.065 479 HG2 ARG 59 1HG ARG 59 3.611 5.152 -11.056 480 HG3 ARG 59 2HG ARG 59 1.959 4.895 -10.500 481 HD2 ARG 59 1HD ARG 59 1.180 6.721 -11.973 482 HD3 ARG 59 2HD ARG 59 2.843 6.986 -12.521 483 HE ARG 59 HE ARG 59 2.031 4.269 -12.879 484 HH11 ARG 59 1HH1 ARG 59 1.665 7.457 -14.354 485 HH12 ARG 59 2HH1 ARG 59 1.373 6.804 -15.938 486 HH21 ARG 59 1HH2 ARG 59 1.695 3.456 -14.945 487 HH22 ARG 59 2HH2 ARG 59 1.391 4.533 -16.269 488 H ALA 60 H ALA 60 2.791 6.082 -5.869 489 HA ALA 60 HA ALA 60 3.225 8.837 -5.237 490 HB1 ALA 60 1HB ALA 60 1.638 7.514 -3.939 491 HB2 ALA 60 2HB ALA 60 2.907 8.117 -2.871 492 HB3 ALA 60 3HB ALA 60 2.922 6.431 -3.400 493 H LYS 61 H LYS 61 5.034 9.839 -4.666 494 HA LYS 61 HA LYS 61 7.576 8.918 -5.267 495 HB2 LYS 61 1HB LYS 61 8.371 11.054 -4.114 496 HB3 LYS 61 2HB LYS 61 7.124 11.279 -5.338 497 HG2 LYS 61 1HG LYS 61 5.405 11.536 -3.623 498 HG3 LYS 61 2HG LYS 61 6.578 11.170 -2.355 499 HD2 LYS 61 1HD LYS 61 6.140 13.586 -2.485 500 HD3 LYS 61 2HD LYS 61 7.822 13.226 -2.877 501 HE2 LYS 61 1HE LYS 61 7.317 13.459 -5.276 502 HE3 LYS 61 2HE LYS 61 5.625 13.792 -4.901 503 HZ1 LYS 61 1HZ LYS 61 6.281 15.788 -3.763 504 HZ2 LYS 61 2HZ LYS 61 6.927 15.806 -5.321 505 HZ3 LYS 61 3HZ LYS 61 7.921 15.450 -4.000 506 H TRP 62 H TRP 62 6.151 9.358 -2.018 507 HA TRP 62 HA TRP 62 8.448 8.590 -0.521 508 HB2 TRP 62 2HB TRP 62 6.949 8.648 1.429 509 HB3 TRP 62 1HB TRP 62 6.567 10.010 0.377 510 HD1 TRP 62 1HD TRP 62 4.190 9.835 -1.040 511 HE1 TRP 62 1HE TRP 62 2.055 8.473 -0.572 512 HE3 TRP 62 3HE TRP 62 6.029 6.544 2.435 513 HZ2 TRP 62 2HZ TRP 62 1.257 6.331 1.041 514 HZ3 TRP 62 3HZ TRP 62 4.498 4.885 3.394 515 HH2 TRP 62 2HH TRP 62 2.158 4.763 2.712 516 H LEU 63 H LEU 63 5.777 6.870 -1.947 517 HA LEU 63 HA LEU 63 6.015 4.406 -0.499 518 HB2 LEU 63 1HB LEU 63 3.894 5.157 -1.543 519 HB3 LEU 63 2HB LEU 63 4.641 5.058 -3.128 520 HG LEU 63 HG LEU 63 4.931 2.561 -2.744 521 HD11 LEU 63 1HD1 LEU 63 4.798 2.403 -0.352 522 HD12 LEU 63 2HD1 LEU 63 3.484 1.469 -1.055 523 HD13 LEU 63 3HD1 LEU 63 3.158 3.051 -0.340 524 HD21 LEU 63 1HD2 LEU 63 3.210 3.404 -4.208 525 HD22 LEU 63 2HD2 LEU 63 2.116 3.669 -2.850 526 HD23 LEU 63 3HD2 LEU 63 2.592 2.033 -3.298 527 H GLN 64 H GLN 64 7.150 5.644 -3.639 528 HA GLN 64 HA GLN 64 8.233 3.320 -4.759 529 HB2 GLN 64 1HB GLN 64 8.946 6.258 -5.090 530 HB3 GLN 64 2HB GLN 64 9.813 5.007 -5.974 531 HG2 GLN 64 1HG GLN 64 6.811 5.428 -6.118 532 HG3 GLN 64 2HG GLN 64 7.975 6.062 -7.283 533 HE21 GLN 64 1HE2 GLN 64 6.489 2.719 -8.340 534 HE22 GLN 64 2HE2 GLN 64 5.762 4.132 -7.674 535 H ARG 65 H ARG 65 9.496 5.460 -2.316 536 HA ARG 65 HA ARG 65 12.147 4.524 -2.094 537 HB2 ARG 65 1HB ARG 65 10.273 5.592 0.066 538 HB3 ARG 65 2HB ARG 65 12.007 5.372 0.270 539 HG2 ARG 65 1HG ARG 65 12.483 7.086 -1.379 540 HG3 ARG 65 2HG ARG 65 10.772 7.229 -1.790 541 HD2 ARG 65 1HD ARG 65 11.542 9.062 -0.311 542 HD3 ARG 65 2HD ARG 65 10.259 8.095 0.423 543 HE ARG 65 HE ARG 65 13.082 7.540 1.091 544 HH11 ARG 65 1HH1 ARG 65 9.903 8.618 2.177 545 HH12 ARG 65 2HH1 ARG 65 10.327 8.552 3.857 546 HH21 ARG 65 1HH2 ARG 65 13.608 7.469 3.297 547 HH22 ARG 65 2HH2 ARG 65 12.428 7.900 4.494 548 H LEU 66 H LEU 66 9.144 3.544 -0.394 549 HA LEU 66 HA LEU 66 10.247 1.412 1.092 550 HB2 LEU 66 1HB LEU 66 7.370 1.879 0.206 551 HB3 LEU 66 2HB LEU 66 7.847 0.630 1.343 552 HG LEU 66 HG LEU 66 8.132 3.625 1.809 553 HD11 LEU 66 1HD1 LEU 66 5.803 2.958 1.835 554 HD12 LEU 66 2HD1 LEU 66 6.336 3.295 3.480 555 HD13 LEU 66 3HD1 LEU 66 6.149 1.626 2.943 556 HD21 LEU 66 1HD2 LEU 66 8.836 1.260 3.592 557 HD22 LEU 66 2HD2 LEU 66 8.626 2.903 4.193 558 HD23 LEU 66 3HD2 LEU 66 9.899 2.560 3.040 559 H LEU 67 H LEU 67 8.544 1.394 -2.031 560 HA LEU 67 HA LEU 67 8.366 -1.363 -2.445 561 HB2 LEU 67 1HB LEU 67 8.616 0.830 -4.559 562 HB3 LEU 67 2HB LEU 67 8.072 -0.813 -4.870 563 HG LEU 67 HG LEU 67 6.613 1.250 -3.165 564 HD11 LEU 67 1HD1 LEU 67 4.929 1.305 -4.945 565 HD12 LEU 67 2HD1 LEU 67 5.899 0.196 -5.919 566 HD13 LEU 67 3HD1 LEU 67 6.512 1.807 -5.538 567 HD21 LEU 67 1HD2 LEU 67 6.165 -0.975 -2.266 568 HD22 LEU 67 2HD2 LEU 67 5.739 -1.581 -3.868 569 HD23 LEU 67 3HD2 LEU 67 4.728 -0.364 -3.084 570 H ARG 68 H ARG 68 10.855 0.957 -3.480 571 HA ARG 68 HA ARG 68 12.560 -0.903 -4.783 572 HB2 ARG 68 1HB ARG 68 12.502 1.572 -5.217 573 HB3 ARG 68 2HB ARG 68 13.241 1.858 -3.651 574 HG2 ARG 68 1HG ARG 68 14.655 0.110 -5.662 575 HG3 ARG 68 2HG ARG 68 14.701 1.858 -5.861 576 HD2 ARG 68 1HD ARG 68 15.876 2.157 -3.799 577 HD3 ARG 68 2HD ARG 68 15.541 0.509 -3.273 578 HE ARG 68 HE ARG 68 17.549 1.376 -5.225 579 HH11 ARG 68 1HH1 ARG 68 16.058 -1.298 -3.467 580 HH12 ARG 68 2HH1 ARG 68 17.347 -2.394 -3.832 581 HH21 ARG 68 1HH2 ARG 68 19.215 -0.075 -5.668 582 HH22 ARG 68 2HH2 ARG 68 19.133 -1.703 -5.079 583 H HIS 69 H HIS 69 12.442 0.290 -1.430 584 HA HIS 69 HA HIS 69 15.048 -0.729 -0.728 585 HB2 HIS 69 1HB HIS 69 12.832 0.561 0.903 586 HB3 HIS 69 2HB HIS 69 14.256 -0.130 1.677 587 HD1 HIS 69 HD1 HIS 69 15.066 2.135 2.516 588 HD2 HIS 69 HD2 HIS 69 14.728 1.969 -1.626 589 HE1 HIS 69 HE1 HIS 69 16.209 4.199 1.661 590 HE2 HIS 69 HE2 HIS 69 15.902 4.123 -0.826 591 H VAL 70 H VAL 70 11.695 -1.807 0.015 592 HA VAL 70 HA VAL 70 12.395 -3.877 1.811 593 HB VAL 70 HB VAL 70 10.117 -4.763 1.566 594 HG11 VAL 70 1HG1 VAL 70 10.419 -2.839 3.037 595 HG12 VAL 70 2HG1 VAL 70 8.831 -2.781 2.273 596 HG13 VAL 70 3HG1 VAL 70 10.126 -1.727 1.696 597 HG21 VAL 70 1HG2 VAL 70 9.797 -4.568 -0.861 598 HG22 VAL 70 2HG2 VAL 70 9.736 -2.810 -0.744 599 HG23 VAL 70 3HG2 VAL 70 8.464 -3.790 -0.006 600 H GLN 71 H GLN 71 12.281 -3.787 -1.662 601 HA GLN 71 HA GLN 71 12.637 -6.686 -1.981 602 HB2 GLN 71 1HB GLN 71 12.504 -4.442 -4.046 603 HB3 GLN 71 2HB GLN 71 12.566 -6.166 -4.415 604 HG2 GLN 71 1HG GLN 71 10.399 -6.475 -3.255 605 HG3 GLN 71 2HG GLN 71 10.330 -4.739 -2.941 606 HE21 GLN 71 1HE2 GLN 71 9.270 -3.883 -6.178 607 HE22 GLN 71 2HE2 GLN 71 9.913 -3.335 -4.681 608 H SER 72 H SER 72 14.606 -7.586 -2.116 609 HA SER 72 HA SER 72 16.841 -7.924 -2.072 610 HB2 SER 72 1HB SER 72 17.066 -5.402 -3.778 611 HB3 SER 72 2HB SER 72 18.260 -6.698 -3.647 612 HG SER 72 HG SER 72 15.607 -7.150 -4.539 613 H LYS 73 H LYS 73 15.633 -6.566 0.053 614 HA LYS 73 HA LYS 73 16.678 -4.139 0.913 615 HB2 LYS 73 1HB LYS 73 14.664 -5.657 1.785 616 HB3 LYS 73 2HB LYS 73 15.854 -6.289 2.907 617 HG2 LYS 73 1HG LYS 73 15.034 -3.365 2.680 618 HG3 LYS 73 2HG LYS 73 14.408 -4.499 3.870 619 HD2 LYS 73 1HD LYS 73 17.296 -3.568 3.649 620 HD3 LYS 73 2HD LYS 73 16.116 -3.006 4.832 621 HE2 LYS 73 1HE LYS 73 16.007 -5.219 5.847 622 HE3 LYS 73 2HE LYS 73 17.062 -5.883 4.595 623 HZ1 LYS 73 1HZ LYS 73 18.816 -4.362 5.381 624 HZ2 LYS 73 2HZ LYS 73 18.333 -5.466 6.563 625 HZ3 LYS 73 3HZ LYS 73 17.811 -3.865 6.646 626 H SER 74 H SER 74 18.841 -3.819 0.948 627 HA SER 74 HA SER 74 20.687 -5.786 2.086 628 HB2 SER 74 1HB SER 74 21.168 -4.621 -0.096 629 HB3 SER 74 2HB SER 74 21.276 -3.091 0.775 630 HG SER 74 HG SER 74 23.326 -3.932 0.522 631 H LEU 75 H LEU 75 22.577 -4.624 3.369 632 HA LEU 75 HA LEU 75 21.461 -3.725 5.854 633 HB2 LEU 75 1HB LEU 75 23.448 -5.252 5.580 634 HB3 LEU 75 2HB LEU 75 24.370 -3.905 4.954 635 HG LEU 75 HG LEU 75 24.787 -4.636 7.400 636 HD11 LEU 75 1HD1 LEU 75 25.725 -2.556 6.516 637 HD12 LEU 75 2HD1 LEU 75 25.252 -2.378 8.201 638 HD13 LEU 75 3HD1 LEU 75 24.241 -1.692 6.927 639 HD21 LEU 75 1HD2 LEU 75 22.411 -4.841 8.077 640 HD22 LEU 75 2HD2 LEU 75 22.227 -3.088 7.941 641 HD23 LEU 75 3HD2 LEU 75 23.324 -3.773 9.142 642 H SER 76 H SER 76 20.677 -1.696 5.980 643 HA SER 76 HA SER 76 21.712 0.504 4.372 644 HB2 SER 76 1HB SER 76 19.659 1.705 5.234 645 HB3 SER 76 2HB SER 76 19.277 0.185 4.430 646 HG SER 76 HG SER 76 19.216 0.809 7.173 647 H SER 77 H SER 77 23.728 0.093 5.801 648 HA SER 77 HA SER 77 25.274 0.785 7.271 649 HB2 SER 77 1HB SER 77 24.515 3.069 6.491 650 HB3 SER 77 2HB SER 77 23.465 3.156 7.904 651 HG SER 77 HG SER 77 26.246 3.327 7.708 652 H THR 78 H THR 78 25.516 1.586 9.716 653 HA THR 78 HA THR 78 23.614 0.103 11.444 654 HB THR 78 HB THR 78 25.629 -0.502 12.872 655 HG1 THR 78 1HG THR 78 27.420 0.500 12.360 656 HG21 THR 78 1HG2 THR 78 25.728 -1.563 10.027 657 HG22 THR 78 2HG2 THR 78 24.710 -2.196 11.324 658 HG23 THR 78 3HG2 THR 78 26.467 -2.326 11.435 659 HA PRO 79 HA PRO 79 23.478 3.908 13.916 660 HB2 PRO 79 2HB PRO 79 23.265 2.798 16.481 661 HB3 PRO 79 1HB PRO 79 21.907 2.987 15.358 662 HG2 PRO 79 2HG PRO 79 23.571 0.547 15.899 663 HG3 PRO 79 1HG PRO 79 21.808 0.689 15.695 664 HD2 PRO 79 2HD PRO 79 23.344 -0.196 13.678 665 HD3 PRO 79 1HD PRO 79 21.952 0.867 13.362 666 H GLN 80 H GLN 80 25.022 5.223 14.756 667 HA GLN 80 HA GLN 80 27.751 4.347 14.867 668 HB2 GLN 80 1HB GLN 80 26.540 7.074 15.511 669 HB3 GLN 80 2HB GLN 80 28.253 6.754 15.271 670 HG2 GLN 80 1HG GLN 80 26.058 6.603 13.176 671 HG3 GLN 80 2HG GLN 80 27.337 7.804 13.290 672 HE21 GLN 80 1HE2 GLN 80 28.015 4.235 11.491 673 HE22 GLN 80 2HE2 GLN 80 26.534 4.565 12.308 674 H ALA 81 H ALA 81 29.211 5.125 16.676 675 HA ALA 81 HA ALA 81 28.611 3.779 19.070 676 HB1 ALA 81 1HB ALA 81 30.728 4.728 19.916 677 HB2 ALA 81 2HB ALA 81 30.773 5.858 18.559 678 HB3 ALA 81 3HB ALA 81 30.918 4.122 18.268 679 HA PRO 82 HA PRO 82 26.046 6.827 21.382 680 HB2 PRO 82 2HB PRO 82 27.430 5.440 23.702 681 HB3 PRO 82 1HB PRO 82 25.704 5.808 23.476 682 HG2 PRO 82 2HG PRO 82 26.591 3.334 23.119 683 HG3 PRO 82 1HG PRO 82 25.369 4.016 22.017 684 HD2 PRO 82 2HD PRO 82 28.306 3.582 21.552 685 HD3 PRO 82 1HD PRO 82 26.949 3.426 20.413 686 H VAL 83 H VAL 83 26.394 8.551 23.030 687 HA VAL 83 HA VAL 83 28.422 10.278 22.240 688 HB VAL 83 HB VAL 83 26.203 10.909 23.314 689 HG11 VAL 83 1HG1 VAL 83 27.624 10.438 25.953 690 HG12 VAL 83 2HG1 VAL 83 26.274 9.501 25.316 691 HG13 VAL 83 3HG1 VAL 83 26.039 11.195 25.747 692 HG21 VAL 83 1HG2 VAL 83 27.007 13.024 24.290 693 HG22 VAL 83 2HG2 VAL 83 27.890 12.619 22.820 694 HG23 VAL 83 3HG2 VAL 83 28.644 12.367 24.394 695 H SER 84 H SER 84 30.472 10.759 22.927 696 HA SER 84 HA SER 84 31.841 8.672 24.420 697 HB2 SER 84 1HB SER 84 32.927 11.121 22.957 698 HB3 SER 84 2HB SER 84 33.901 9.783 23.573 699 HG SER 84 HG SER 84 32.296 9.933 21.317 700 H LYS 85 H LYS 85 30.179 10.850 25.907 701 HA LYS 85 HA LYS 85 32.085 12.343 27.466 702 HB2 LYS 85 1HB LYS 85 29.133 11.806 28.035 703 HB3 LYS 85 2HB LYS 85 30.124 13.011 28.837 704 HG2 LYS 85 1HG LYS 85 29.249 12.991 25.935 705 HG3 LYS 85 2HG LYS 85 28.693 14.088 27.195 706 HD2 LYS 85 1HD LYS 85 31.563 13.985 26.171 707 HD3 LYS 85 2HD LYS 85 30.335 15.081 25.546 708 HE2 LYS 85 1HE LYS 85 30.129 16.122 27.790 709 HE3 LYS 85 2HE LYS 85 31.380 15.037 28.401 710 HZ1 LYS 85 1HZ LYS 85 31.784 16.990 26.201 711 HZ2 LYS 85 2HZ LYS 85 32.966 16.007 26.896 712 HZ3 LYS 85 3HZ LYS 85 32.243 17.232 27.806 713 H ARG 86 H ARG 86 32.839 11.924 29.507 714 HA ARG 86 HA ARG 86 31.933 9.579 31.050 715 HB2 ARG 86 1HB ARG 86 33.991 8.824 29.867 716 HB3 ARG 86 2HB ARG 86 34.864 10.249 30.420 717 HG2 ARG 86 1HG ARG 86 34.552 9.417 32.798 718 HG3 ARG 86 2HG ARG 86 33.873 7.931 32.128 719 HD2 ARG 86 1HD ARG 86 35.984 7.451 30.982 720 HD3 ARG 86 2HD ARG 86 36.666 8.985 31.532 721 HE ARG 86 HE ARG 86 36.282 6.546 33.088 722 HH11 ARG 86 1HH1 ARG 86 37.100 9.980 33.230 723 HH12 ARG 86 2HH1 ARG 86 37.869 9.831 34.778 724 HH21 ARG 86 1HH2 ARG 86 37.305 6.408 35.101 725 HH22 ARG 86 2HH2 ARG 86 37.984 7.831 35.824 726 H ARG 87 H ARG 87 31.202 10.518 32.877 727 HA ARG 87 HA ARG 87 32.027 13.189 33.621 728 HB2 ARG 87 1HB ARG 87 29.961 11.304 34.829 729 HB3 ARG 87 2HB ARG 87 30.277 12.922 35.448 730 HG2 ARG 87 1HG ARG 87 29.208 12.228 32.691 731 HG3 ARG 87 2HG ARG 87 28.305 12.947 34.030 732 HD2 ARG 87 1HD ARG 87 30.560 14.204 32.438 733 HD3 ARG 87 2HD ARG 87 28.870 14.718 32.499 734 HE ARG 87 HE ARG 87 29.369 15.164 34.978 735 HH11 ARG 87 1HH1 ARG 87 31.751 15.615 32.429 736 HH12 ARG 87 2HH1 ARG 87 32.633 16.821 33.315 737 HH21 ARG 87 1HH2 ARG 87 30.581 16.729 36.135 738 HH22 ARG 87 2HH2 ARG 87 31.979 17.444 35.392 739 H ALA 88 H ALA 88 34.207 12.898 34.232 740 HA ALA 88 HA ALA 88 34.856 11.501 36.691 741 HB1 ALA 88 1HB ALA 88 36.618 11.834 35.005 742 HB2 ALA 88 2HB ALA 88 37.049 12.665 36.501 743 HB3 ALA 88 3HB ALA 88 36.436 13.586 35.125 744 H ALA 89 H ALA 89 33.252 12.305 38.073 745 HA ALA 89 HA ALA 89 33.335 15.163 38.827 746 HB1 ALA 89 1HB ALA 89 31.120 14.295 38.191 747 HB2 ALA 89 2HB ALA 89 31.144 14.730 39.901 748 HB3 ALA 89 3HB ALA 89 31.239 13.034 39.421 Start of MODEL 7 1 H1 MET 1 1H MET 1 7.959 -3.892 7.158 2 H2 MET 1 2H MET 1 8.667 -4.783 5.907 3 H3 MET 1 3H MET 1 7.914 -5.581 7.191 4 HA MET 1 HA MET 1 5.798 -4.742 6.567 5 HB2 MET 1 1HB MET 1 7.240 -3.461 4.207 6 HB3 MET 1 2HB MET 1 5.494 -3.480 4.455 7 HG2 MET 1 1HG MET 1 6.312 -1.318 5.071 8 HG3 MET 1 2HG MET 1 5.845 -2.157 6.553 9 HE1 MET 1 1HE MET 1 7.256 -0.576 8.177 10 HE2 MET 1 2HE MET 1 7.557 0.416 6.751 11 HE3 MET 1 3HE MET 1 8.895 -0.047 7.798 12 H ILE 2 H ILE 2 4.851 -6.553 5.936 13 HA ILE 2 HA ILE 2 6.119 -8.566 4.349 14 HB ILE 2 HB ILE 2 3.221 -8.434 5.343 15 HG12 ILE 2 1HG1 ILE 2 4.133 -10.302 6.982 16 HG13 ILE 2 2HG1 ILE 2 5.720 -9.658 6.589 17 HG21 ILE 2 1HG2 ILE 2 3.075 -10.853 4.876 18 HG22 ILE 2 2HG2 ILE 2 4.717 -10.835 4.230 19 HG23 ILE 2 3HG2 ILE 2 3.440 -9.950 3.409 20 HD11 ILE 2 1HD1 ILE 2 4.868 -8.788 8.684 21 HD12 ILE 2 2HD1 ILE 2 3.452 -8.132 7.863 22 HD13 ILE 2 3HD1 ILE 2 5.059 -7.493 7.502 23 H LEU 3 H LEU 3 6.434 -8.025 2.228 24 HA LEU 3 HA LEU 3 4.470 -6.598 0.634 25 HB2 LEU 3 1HB LEU 3 6.857 -6.162 0.230 26 HB3 LEU 3 2HB LEU 3 7.133 -7.857 -0.132 27 HG LEU 3 HG LEU 3 5.524 -7.558 -2.137 28 HD11 LEU 3 1HD1 LEU 3 4.416 -5.498 -1.499 29 HD12 LEU 3 2HD1 LEU 3 5.244 -5.273 -3.034 30 HD13 LEU 3 3HD1 LEU 3 5.943 -4.613 -1.552 31 HD21 LEU 3 1HD2 LEU 3 7.944 -7.763 -2.426 32 HD22 LEU 3 2HD2 LEU 3 8.133 -6.022 -2.215 33 HD23 LEU 3 3HD2 LEU 3 7.251 -6.656 -3.607 34 H GLU 4 H GLU 4 2.862 -7.558 -0.485 35 HA GLU 4 HA GLU 4 2.932 -10.477 -1.020 36 HB2 GLU 4 1HB GLU 4 0.463 -8.807 -0.396 37 HB3 GLU 4 2HB GLU 4 0.544 -10.562 -0.532 38 HG2 GLU 4 1HG GLU 4 1.854 -10.710 1.502 39 HG3 GLU 4 2HG GLU 4 1.996 -8.950 1.587 40 H ALA 5 H ALA 5 2.344 -11.134 -3.037 41 HA ALA 5 HA ALA 5 1.141 -9.246 -4.985 42 HB1 ALA 5 1HB ALA 5 2.329 -12.027 -5.407 43 HB2 ALA 5 2HB ALA 5 3.117 -10.502 -5.806 44 HB3 ALA 5 3HB ALA 5 1.664 -10.996 -6.678 45 H HIS 6 H HIS 6 -1.040 -9.548 -5.544 46 HA HIS 6 HA HIS 6 -2.515 -11.194 -3.667 47 HB2 HIS 6 1HB HIS 6 -4.465 -9.999 -4.229 48 HB3 HIS 6 2HB HIS 6 -3.189 -8.803 -4.364 49 HD1 HIS 6 HD1 HIS 6 -6.079 -9.989 -6.067 50 HD2 HIS 6 HD2 HIS 6 -2.416 -8.456 -7.254 51 HE1 HIS 6 HE1 HIS 6 -6.400 -9.244 -8.433 52 HE2 HIS 6 HE2 HIS 6 -4.196 -8.236 -9.101 53 H TYR 7 H TYR 7 -2.851 -13.264 -4.036 54 HA TYR 7 HA TYR 7 -3.103 -14.410 -6.705 55 HB2 TYR 7 2HB TYR 7 -3.319 -15.749 -3.970 56 HB3 TYR 7 1HB TYR 7 -3.191 -16.577 -5.523 57 HD1 TYR 7 1HD TYR 7 -1.037 -16.064 -6.956 58 HD2 TYR 7 2HD TYR 7 -1.324 -15.260 -2.759 59 HE1 TYR 7 1HE TYR 7 1.419 -16.015 -6.786 60 HE2 TYR 7 2HE TYR 7 1.121 -15.214 -2.597 61 HH TYR 7 HH TYR 7 3.065 -16.083 -3.805 62 H THR 8 H THR 8 -5.077 -13.519 -3.957 63 HA THR 8 HA THR 8 -7.555 -14.616 -4.860 64 HB THR 8 HB THR 8 -7.105 -12.238 -2.996 65 HG1 THR 8 1HG THR 8 -6.714 -14.968 -2.673 66 HG21 THR 8 1HG2 THR 8 -9.468 -12.505 -3.725 67 HG22 THR 8 2HG2 THR 8 -9.277 -12.883 -2.013 68 HG23 THR 8 3HG2 THR 8 -9.437 -14.189 -3.186 69 H ASN 9 H ASN 9 -7.858 -14.066 -7.006 70 HA ASN 9 HA ASN 9 -8.072 -11.195 -7.731 71 HB2 ASN 9 1HB ASN 9 -7.643 -11.881 -10.060 72 HB3 ASN 9 2HB ASN 9 -6.334 -12.413 -9.014 73 HD21 ASN 9 1HD2 ASN 9 -6.824 -15.839 -9.662 74 HD22 ASN 9 2HD2 ASN 9 -6.039 -14.657 -8.678 75 H LEU 10 H LEU 10 -10.159 -12.720 -6.356 76 HA LEU 10 HA LEU 10 -12.293 -13.094 -8.283 77 HB2 LEU 10 1HB LEU 10 -12.452 -12.807 -5.259 78 HB3 LEU 10 2HB LEU 10 -13.752 -13.354 -6.301 79 HG LEU 10 HG LEU 10 -11.137 -14.860 -5.844 80 HD11 LEU 10 1HD1 LEU 10 -13.890 -15.421 -4.709 81 HD12 LEU 10 2HD1 LEU 10 -12.493 -14.821 -3.812 82 HD13 LEU 10 3HD1 LEU 10 -12.456 -16.437 -4.514 83 HD21 LEU 10 1HD2 LEU 10 -13.629 -15.661 -7.393 84 HD22 LEU 10 2HD2 LEU 10 -12.343 -16.776 -6.936 85 HD23 LEU 10 3HD2 LEU 10 -11.995 -15.447 -8.030 86 H LYS 11 H LYS 11 -11.819 -10.750 -5.602 87 HA LYS 11 HA LYS 11 -12.447 -8.482 -7.347 88 HB2 LYS 11 1HB LYS 11 -14.042 -9.079 -4.806 89 HB3 LYS 11 2HB LYS 11 -14.011 -7.496 -5.578 90 HG2 LYS 11 1HG LYS 11 -15.033 -8.476 -7.611 91 HG3 LYS 11 2HG LYS 11 -15.083 -10.054 -6.816 92 HD2 LYS 11 1HD LYS 11 -16.560 -9.080 -5.052 93 HD3 LYS 11 2HD LYS 11 -16.552 -7.541 -5.916 94 HE2 LYS 11 1HE LYS 11 -17.658 -8.604 -7.838 95 HE3 LYS 11 2HE LYS 11 -17.620 -10.167 -7.014 96 HZ1 LYS 11 1HZ LYS 11 -19.068 -7.748 -6.090 97 HZ2 LYS 11 2HZ LYS 11 -19.018 -9.234 -5.283 98 HZ3 LYS 11 3HZ LYS 11 -19.767 -9.122 -6.791 99 H CYS 12 H CYS 12 -11.029 -6.867 -6.912 100 HA CYS 12 HA CYS 12 -9.683 -6.713 -4.283 101 HB2 CYS 12 2HB CYS 12 -9.080 -5.010 -6.736 102 HB3 CYS 12 1HB CYS 12 -8.042 -5.319 -5.341 103 H ARG 13 H ARG 13 -10.934 -5.583 -2.866 104 HA ARG 13 HA ARG 13 -12.810 -3.548 -3.808 105 HB2 ARG 13 1HB ARG 13 -12.450 -4.834 -1.075 106 HB3 ARG 13 2HB ARG 13 -13.648 -3.594 -1.437 107 HG2 ARG 13 1HG ARG 13 -14.655 -5.140 -3.148 108 HG3 ARG 13 2HG ARG 13 -13.527 -6.394 -2.617 109 HD2 ARG 13 1HD ARG 13 -15.760 -6.639 -1.556 110 HD3 ARG 13 2HD ARG 13 -14.494 -6.334 -0.359 111 HE ARG 13 HE ARG 13 -15.794 -3.923 -1.255 112 HH11 ARG 13 1HH1 ARG 13 -16.126 -6.564 1.052 113 HH12 ARG 13 2HH1 ARG 13 -17.125 -5.642 2.128 114 HH21 ARG 13 1HH2 ARG 13 -17.079 -2.745 0.171 115 HH22 ARG 13 2HH2 ARG 13 -17.662 -3.482 1.629 116 H CYS 14 H CYS 14 -11.298 -1.935 -4.360 117 HA CYS 14 HA CYS 14 -10.761 -0.171 -2.054 118 HB2 CYS 14 2HB CYS 14 -8.954 -0.562 -4.469 119 HB3 CYS 14 1HB CYS 14 -8.797 0.777 -3.332 120 H SER 15 H SER 15 -12.390 1.209 -2.219 121 HA SER 15 HA SER 15 -13.813 1.807 -4.605 122 HB2 SER 15 1HB SER 15 -14.856 1.790 -2.358 123 HB3 SER 15 2HB SER 15 -13.898 3.189 -1.893 124 HG SER 15 HG SER 15 -15.265 3.652 -4.191 125 H GLY 16 H GLY 16 -10.968 3.177 -3.263 126 HA2 GLY 16 1HA GLY 16 -10.547 4.876 -5.516 127 HA3 GLY 16 2HA GLY 16 -10.924 5.817 -4.070 128 H VAL 17 H VAL 17 -8.484 6.158 -5.242 129 HA VAL 17 HA VAL 17 -6.591 4.816 -3.403 130 HB VAL 17 HB VAL 17 -4.753 5.799 -4.870 131 HG11 VAL 17 1HG1 VAL 17 -4.938 4.090 -6.642 132 HG12 VAL 17 2HG1 VAL 17 -6.638 3.846 -6.238 133 HG13 VAL 17 3HG1 VAL 17 -5.388 3.436 -5.064 134 HG21 VAL 17 1HG2 VAL 17 -5.315 6.519 -7.176 135 HG22 VAL 17 2HG2 VAL 17 -6.030 7.599 -5.979 136 HG23 VAL 17 3HG2 VAL 17 -7.038 6.403 -6.797 137 H ILE 18 H ILE 18 -5.596 5.967 -1.881 138 HA ILE 18 HA ILE 18 -6.222 8.829 -1.555 139 HB ILE 18 HB ILE 18 -5.428 6.878 0.667 140 HG12 ILE 18 1HG1 ILE 18 -8.279 7.667 -0.124 141 HG13 ILE 18 2HG1 ILE 18 -7.561 6.082 -0.385 142 HG21 ILE 18 1HG2 ILE 18 -5.120 9.311 1.119 143 HG22 ILE 18 2HG2 ILE 18 -6.316 8.589 2.183 144 HG23 ILE 18 3HG2 ILE 18 -6.833 9.577 0.815 145 HD11 ILE 18 1HD1 ILE 18 -9.031 6.027 1.514 146 HD12 ILE 18 2HD1 ILE 18 -8.170 7.355 2.287 147 HD13 ILE 18 3HD1 ILE 18 -7.373 5.794 2.062 148 H SER 19 H SER 19 -4.505 10.087 -1.865 149 HA SER 19 HA SER 19 -1.871 8.939 -2.324 150 HB2 SER 19 1HB SER 19 -3.129 10.607 -3.852 151 HB3 SER 19 2HB SER 19 -2.673 11.850 -2.688 152 HG SER 19 HG SER 19 -1.032 10.243 -4.324 153 H THR 20 H THR 20 -3.137 9.544 0.436 154 HA THR 20 HA THR 20 -1.473 11.481 1.732 155 HB THR 20 HB THR 20 -3.284 9.315 2.912 156 HG1 THR 20 1HG THR 20 -3.914 11.503 1.556 157 HG21 THR 20 1HG2 THR 20 -1.700 10.155 4.614 158 HG22 THR 20 2HG2 THR 20 -3.331 10.736 4.955 159 HG23 THR 20 3HG2 THR 20 -2.147 11.818 4.222 160 H VAL 21 H VAL 21 0.280 11.080 3.048 161 HA VAL 21 HA VAL 21 1.884 8.747 2.471 162 HB VAL 21 HB VAL 21 2.503 11.059 4.382 163 HG11 VAL 21 1HG1 VAL 21 3.915 9.114 4.834 164 HG12 VAL 21 2HG1 VAL 21 4.883 10.369 4.060 165 HG13 VAL 21 3HG1 VAL 21 4.330 8.976 3.127 166 HG21 VAL 21 1HG2 VAL 21 3.248 10.770 1.445 167 HG22 VAL 21 2HG2 VAL 21 3.850 12.025 2.527 168 HG23 VAL 21 3HG2 VAL 21 2.137 11.957 2.126 169 H VAL 22 H VAL 22 1.725 6.921 3.618 170 HA VAL 22 HA VAL 22 0.415 6.859 6.244 171 HB VAL 22 HB VAL 22 1.342 4.481 4.562 172 HG11 VAL 22 1HG1 VAL 22 -0.319 3.190 5.875 173 HG12 VAL 22 2HG1 VAL 22 -0.710 4.636 6.808 174 HG13 VAL 22 3HG1 VAL 22 0.898 3.919 6.926 175 HG21 VAL 22 1HG2 VAL 22 -0.225 5.810 3.209 176 HG22 VAL 22 2HG2 VAL 22 -1.397 5.815 4.529 177 HG23 VAL 22 3HG2 VAL 22 -0.991 4.302 3.717 178 H GLY 23 H GLY 23 1.499 6.441 8.131 179 HA2 GLY 23 1HA GLY 23 4.264 6.954 8.329 180 HA3 GLY 23 2HA GLY 23 3.223 6.409 9.627 181 H LEU 24 H LEU 24 6.030 5.648 8.330 182 HA LEU 24 HA LEU 24 5.880 2.987 7.398 183 HB2 LEU 24 1HB LEU 24 8.167 4.633 8.506 184 HB3 LEU 24 2HB LEU 24 8.403 2.941 8.108 185 HG LEU 24 HG LEU 24 7.726 3.427 5.737 186 HD11 LEU 24 1HD1 LEU 24 6.378 5.423 6.020 187 HD12 LEU 24 2HD1 LEU 24 7.701 5.739 4.903 188 HD13 LEU 24 3HD1 LEU 24 7.787 6.340 6.562 189 HD21 LEU 24 1HD2 LEU 24 9.842 4.486 5.078 190 HD22 LEU 24 2HD2 LEU 24 10.083 3.284 6.342 191 HD23 LEU 24 3HD2 LEU 24 10.113 5.002 6.747 192 H ASN 25 H ASN 25 6.022 4.265 10.655 193 HA ASN 25 HA ASN 25 6.721 1.875 12.036 194 HB2 ASN 25 1HB ASN 25 6.954 4.050 13.129 195 HB3 ASN 25 2HB ASN 25 5.233 4.373 12.951 196 HD21 ASN 25 1HD2 ASN 25 5.043 3.387 16.326 197 HD22 ASN 25 2HD2 ASN 25 5.006 4.692 15.196 198 H ILE 26 H ILE 26 3.620 3.257 10.926 199 HA ILE 26 HA ILE 26 2.088 1.224 12.389 200 HB ILE 26 HB ILE 26 0.047 2.365 11.732 201 HG12 ILE 26 1HG1 ILE 26 1.741 4.273 10.042 202 HG13 ILE 26 2HG1 ILE 26 0.668 3.037 9.398 203 HG21 ILE 26 1HG2 ILE 26 0.396 4.546 12.844 204 HG22 ILE 26 2HG2 ILE 26 2.140 4.394 12.621 205 HG23 ILE 26 3HG2 ILE 26 1.282 3.262 13.668 206 HD11 ILE 26 1HD1 ILE 26 -0.172 5.460 10.996 207 HD12 ILE 26 2HD1 ILE 26 -1.255 4.206 10.379 208 HD13 ILE 26 3HD1 ILE 26 -0.347 5.218 9.258 209 H ILE 27 H ILE 27 3.337 1.727 9.153 210 HA ILE 27 HA ILE 27 1.567 -0.014 7.738 211 HB ILE 27 HB ILE 27 4.498 0.593 7.088 212 HG12 ILE 27 1HG1 ILE 27 1.974 1.938 6.011 213 HG13 ILE 27 2HG1 ILE 27 3.092 2.656 7.159 214 HG21 ILE 27 1HG2 ILE 27 2.309 -0.527 5.292 215 HG22 ILE 27 2HG2 ILE 27 3.680 -1.434 5.930 216 HG23 ILE 27 3HG2 ILE 27 3.950 -0.123 4.782 217 HD11 ILE 27 1HD1 ILE 27 3.666 1.963 4.281 218 HD12 ILE 27 2HD1 ILE 27 4.873 2.544 5.432 219 HD13 ILE 27 3HD1 ILE 27 3.508 3.568 4.995 220 H ASP 28 H ASP 28 1.468 -2.199 7.723 221 HA ASP 28 HA ASP 28 3.652 -3.804 8.933 222 HB2 ASP 28 1HB ASP 28 1.621 -3.779 10.342 223 HB3 ASP 28 2HB ASP 28 0.646 -4.350 8.988 224 H ARG 29 H ARG 29 0.979 -3.908 6.561 225 HA ARG 29 HA ARG 29 2.501 -5.848 4.913 226 HB2 ARG 29 1HB ARG 29 -0.501 -5.754 5.451 227 HB3 ARG 29 2HB ARG 29 0.239 -6.769 4.214 228 HG2 ARG 29 1HG ARG 29 1.393 -8.082 5.875 229 HG3 ARG 29 2HG ARG 29 0.905 -6.987 7.172 230 HD2 ARG 29 1HD ARG 29 -0.420 -9.115 7.090 231 HD3 ARG 29 2HD ARG 29 -1.406 -7.655 6.949 232 HE ARG 29 HE ARG 29 -0.602 -8.861 4.433 233 HH11 ARG 29 1HH1 ARG 29 -3.134 -8.733 6.866 234 HH12 ARG 29 2HH1 ARG 29 -4.347 -9.338 5.792 235 HH21 ARG 29 1HH2 ARG 29 -2.185 -9.608 3.053 236 HH22 ARG 29 2HH2 ARG 29 -3.811 -9.836 3.616 237 H ILE 30 H ILE 30 2.663 -5.360 2.795 238 HA ILE 30 HA ILE 30 0.991 -3.233 1.577 239 HB ILE 30 HB ILE 30 3.988 -3.686 1.126 240 HG12 ILE 30 1HG1 ILE 30 2.525 -1.281 2.307 241 HG13 ILE 30 2HG1 ILE 30 3.466 -2.450 3.227 242 HG21 ILE 30 1HG2 ILE 30 2.885 -3.107 -1.002 243 HG22 ILE 30 2HG2 ILE 30 3.899 -1.775 -0.453 244 HG23 ILE 30 3HG2 ILE 30 2.149 -1.687 -0.251 245 HD11 ILE 30 1HD1 ILE 30 4.700 -0.413 2.903 246 HD12 ILE 30 2HD1 ILE 30 4.529 -0.544 1.153 247 HD13 ILE 30 3HD1 ILE 30 5.484 -1.737 2.042 248 H GLN 31 H GLN 31 -0.294 -4.403 0.289 249 HA GLN 31 HA GLN 31 0.773 -6.634 -1.326 250 HB2 GLN 31 1HB GLN 31 -1.026 -7.265 0.202 251 HB3 GLN 31 2HB GLN 31 -2.057 -5.985 -0.417 252 HG2 GLN 31 1HG GLN 31 -2.345 -7.125 -2.515 253 HG3 GLN 31 2HG GLN 31 -1.086 -8.295 -2.120 254 HE21 GLN 31 1HE2 GLN 31 -3.397 -9.695 0.506 255 HE22 GLN 31 2HE2 GLN 31 -1.923 -8.799 0.594 256 H VAL 32 H VAL 32 0.931 -6.324 -3.441 257 HA VAL 32 HA VAL 32 -0.111 -3.908 -4.698 258 HB VAL 32 HB VAL 32 1.197 -4.580 -6.696 259 HG11 VAL 32 1HG1 VAL 32 2.837 -4.668 -4.132 260 HG12 VAL 32 2HG1 VAL 32 2.292 -3.211 -4.964 261 HG13 VAL 32 3HG1 VAL 32 3.461 -4.280 -5.739 262 HG21 VAL 32 1HG2 VAL 32 2.711 -6.525 -6.698 263 HG22 VAL 32 2HG2 VAL 32 1.045 -7.061 -6.481 264 HG23 VAL 32 3HG2 VAL 32 2.137 -7.007 -5.100 265 H THR 33 H THR 33 -1.853 -3.841 -5.970 266 HA THR 33 HA THR 33 -3.159 -6.340 -6.840 267 HB THR 33 HB THR 33 -5.378 -5.117 -6.464 268 HG1 THR 33 1HG THR 33 -4.520 -3.010 -6.203 269 HG21 THR 33 1HG2 THR 33 -3.723 -5.727 -3.982 270 HG22 THR 33 2HG2 THR 33 -4.651 -6.900 -4.922 271 HG23 THR 33 3HG2 THR 33 -5.484 -5.618 -4.045 272 HA PRO 34 HA PRO 34 -2.716 -3.825 -10.747 273 HB2 PRO 34 2HB PRO 34 -1.756 -5.871 -12.307 274 HB3 PRO 34 1HB PRO 34 -0.681 -4.886 -11.290 275 HG2 PRO 34 2HG PRO 34 -1.858 -7.596 -10.699 276 HG3 PRO 34 1HG PRO 34 -0.175 -7.042 -10.518 277 HD2 PRO 34 2HD PRO 34 -1.860 -7.135 -8.410 278 HD3 PRO 34 1HD PRO 34 -0.627 -5.863 -8.550 279 HA PRO 35 HA PRO 35 -6.722 -5.107 -12.090 280 HB2 PRO 35 2HB PRO 35 -6.835 -4.377 -14.725 281 HB3 PRO 35 1HB PRO 35 -6.689 -3.177 -13.421 282 HG2 PRO 35 2HG PRO 35 -4.512 -4.332 -15.155 283 HG3 PRO 35 1HG PRO 35 -4.823 -2.630 -14.734 284 HD2 PRO 35 2HD PRO 35 -2.949 -4.097 -13.429 285 HD3 PRO 35 1HD PRO 35 -3.895 -2.841 -12.602 286 H GLY 36 H GLY 36 -8.029 -6.544 -13.384 287 HA2 GLY 36 1HA GLY 36 -7.360 -8.307 -15.366 288 HA3 GLY 36 2HA GLY 36 -6.787 -9.102 -13.898 289 H ASN 37 H ASN 37 -8.242 -10.541 -13.134 290 HA ASN 37 HA ASN 37 -11.057 -10.411 -13.826 291 HB2 ASN 37 1HB ASN 37 -9.726 -12.572 -13.730 292 HB3 ASN 37 2HB ASN 37 -9.637 -12.394 -11.985 293 HD21 ASN 37 1HD2 ASN 37 -12.847 -13.672 -11.419 294 HD22 ASN 37 2HD2 ASN 37 -11.431 -12.964 -10.762 295 H GLY 38 H GLY 38 -9.011 -9.731 -11.047 296 HA2 GLY 38 1HA GLY 38 -11.288 -9.487 -9.195 297 HA3 GLY 38 2HA GLY 38 -9.585 -9.513 -8.773 298 H CYS 39 H CYS 39 -8.373 -7.595 -9.925 299 HA CYS 39 HA CYS 39 -9.462 -5.232 -8.703 300 HB2 CYS 39 2HB CYS 39 -6.886 -5.499 -10.279 301 HB3 CYS 39 1HB CYS 39 -7.305 -4.232 -9.136 302 HA PRO 40 HA PRO 40 -11.082 -3.638 -12.733 303 HB2 PRO 40 2HB PRO 40 -11.538 -1.209 -11.016 304 HB3 PRO 40 1HB PRO 40 -12.674 -2.050 -12.092 305 HG2 PRO 40 2HG PRO 40 -12.908 -2.268 -9.443 306 HG3 PRO 40 1HG PRO 40 -13.206 -3.667 -10.503 307 HD2 PRO 40 2HD PRO 40 -10.766 -3.056 -8.835 308 HD3 PRO 40 1HD PRO 40 -11.603 -4.606 -9.097 309 H LYS 41 H LYS 41 -8.930 -2.042 -10.415 310 HA LYS 41 HA LYS 41 -7.610 -0.450 -12.560 311 HB2 LYS 41 1HB LYS 41 -8.116 0.352 -9.663 312 HB3 LYS 41 2HB LYS 41 -7.316 1.341 -10.875 313 HG2 LYS 41 1HG LYS 41 -9.309 1.827 -12.020 314 HG3 LYS 41 2HG LYS 41 -10.162 0.431 -11.360 315 HD2 LYS 41 1HD LYS 41 -9.264 2.703 -9.559 316 HD3 LYS 41 2HD LYS 41 -10.768 2.820 -10.469 317 HE2 LYS 41 1HE LYS 41 -11.799 1.109 -9.239 318 HE3 LYS 41 2HE LYS 41 -10.281 0.393 -8.725 319 HZ1 LYS 41 1HZ LYS 41 -11.346 2.986 -7.773 320 HZ2 LYS 41 2HZ LYS 41 -9.922 2.228 -7.254 321 HZ3 LYS 41 3HZ LYS 41 -11.418 1.520 -6.930 322 H THR 42 H THR 42 -5.385 0.304 -11.873 323 HA THR 42 HA THR 42 -3.835 -1.724 -10.441 324 HB THR 42 HB THR 42 -2.822 0.903 -11.635 325 HG1 THR 42 1HG THR 42 -3.968 -0.712 -13.083 326 HG21 THR 42 1HG2 THR 42 -1.371 -1.711 -11.006 327 HG22 THR 42 2HG2 THR 42 -1.247 -0.222 -10.067 328 HG23 THR 42 3HG2 THR 42 -0.639 -0.271 -11.722 329 H GLU 43 H GLU 43 -3.804 -1.562 -8.271 330 HA GLU 43 HA GLU 43 -3.555 1.007 -6.864 331 HB2 GLU 43 1HB GLU 43 -5.758 -1.029 -6.200 332 HB3 GLU 43 2HB GLU 43 -5.399 0.435 -5.280 333 HG2 GLU 43 1HG GLU 43 -6.040 1.831 -7.205 334 HG3 GLU 43 2HG GLU 43 -6.354 0.390 -8.166 335 H VAL 44 H VAL 44 -3.049 0.581 -4.485 336 HA VAL 44 HA VAL 44 -1.718 -2.035 -4.007 337 HB VAL 44 HB VAL 44 -0.561 0.704 -3.272 338 HG11 VAL 44 1HG1 VAL 44 1.421 -0.550 -2.433 339 HG12 VAL 44 2HG1 VAL 44 0.580 -2.070 -2.752 340 HG13 VAL 44 3HG1 VAL 44 -0.042 -0.957 -1.533 341 HG21 VAL 44 1HG2 VAL 44 0.403 -1.337 -5.317 342 HG22 VAL 44 2HG2 VAL 44 1.296 0.104 -4.847 343 HG23 VAL 44 3HG2 VAL 44 -0.258 0.262 -5.663 344 H VAL 45 H VAL 45 -2.693 -2.969 -2.299 345 HA VAL 45 HA VAL 45 -4.244 -1.378 -0.379 346 HB VAL 45 HB VAL 45 -4.048 -4.423 -0.621 347 HG11 VAL 45 1HG1 VAL 45 -4.764 -3.688 1.625 348 HG12 VAL 45 2HG1 VAL 45 -6.106 -4.456 0.773 349 HG13 VAL 45 3HG1 VAL 45 -6.037 -2.696 0.907 350 HG21 VAL 45 1HG2 VAL 45 -5.046 -3.510 -2.677 351 HG22 VAL 45 2HG2 VAL 45 -6.189 -2.565 -1.724 352 HG23 VAL 45 3HG2 VAL 45 -6.281 -4.326 -1.714 353 H ILE 46 H ILE 46 -3.035 -0.604 1.232 354 HA ILE 46 HA ILE 46 -0.940 -2.182 2.555 355 HB ILE 46 HB ILE 46 -1.764 0.738 2.936 356 HG12 ILE 46 1HG1 ILE 46 0.664 -0.468 1.526 357 HG13 ILE 46 2HG1 ILE 46 -0.679 0.370 0.752 358 HG21 ILE 46 1HG2 ILE 46 -0.857 -0.187 5.039 359 HG22 ILE 46 2HG2 ILE 46 0.266 0.982 4.346 360 HG23 ILE 46 3HG2 ILE 46 0.585 -0.748 4.188 361 HD11 ILE 46 1HD1 ILE 46 1.383 1.580 2.595 362 HD12 ILE 46 2HD1 ILE 46 -0.017 2.437 1.943 363 HD13 ILE 46 3HD1 ILE 46 1.216 1.814 0.859 364 H TRP 47 H TRP 47 -1.540 -3.374 4.305 365 HA TRP 47 HA TRP 47 -3.706 -2.472 6.091 366 HB2 TRP 47 2HB TRP 47 -2.053 -5.042 6.028 367 HB3 TRP 47 1HB TRP 47 -3.146 -4.641 7.352 368 HD1 TRP 47 1HD TRP 47 -5.766 -4.786 6.875 369 HE1 TRP 47 1HE TRP 47 -7.121 -5.961 5.027 370 HE3 TRP 47 3HE TRP 47 -2.005 -5.673 3.544 371 HZ2 TRP 47 2HZ TRP 47 -6.664 -7.139 2.529 372 HZ3 TRP 47 3HZ TRP 47 -2.548 -6.843 1.460 373 HH2 TRP 47 2HH TRP 47 -4.826 -7.560 0.952 374 H THR 48 H THR 48 -3.152 -1.162 7.725 375 HA THR 48 HA THR 48 -0.438 -1.019 8.782 376 HB THR 48 HB THR 48 -1.441 0.610 10.415 377 HG1 THR 48 1HG THR 48 -3.840 0.590 8.989 378 HG21 THR 48 1HG2 THR 48 -2.021 2.380 8.791 379 HG22 THR 48 2HG2 THR 48 -2.229 1.171 7.524 380 HG23 THR 48 3HG2 THR 48 -0.629 1.454 8.218 381 H LYS 49 H LYS 49 -0.043 -1.485 11.139 382 HA LYS 49 HA LYS 49 -0.977 -4.114 11.783 383 HB2 LYS 49 1HB LYS 49 0.626 -4.103 13.595 384 HB3 LYS 49 2HB LYS 49 1.373 -3.453 12.145 385 HG2 LYS 49 1HG LYS 49 1.246 -1.178 13.047 386 HG3 LYS 49 2HG LYS 49 0.372 -1.766 14.469 387 HD2 LYS 49 1HD LYS 49 2.393 -3.238 14.979 388 HD3 LYS 49 2HD LYS 49 3.257 -2.396 13.693 389 HE2 LYS 49 1HE LYS 49 2.064 -1.039 16.135 390 HE3 LYS 49 2HE LYS 49 3.750 -1.537 16.002 391 HZ1 LYS 49 1HZ LYS 49 3.422 0.803 15.506 392 HZ2 LYS 49 2HZ LYS 49 2.402 0.418 14.213 393 HZ3 LYS 49 3HZ LYS 49 4.035 -0.024 14.166 394 H MET 50 H MET 50 -2.425 -1.208 12.321 395 HA MET 50 HA MET 50 -3.898 -2.086 14.732 396 HB2 MET 50 1HB MET 50 -3.966 0.566 13.220 397 HB3 MET 50 2HB MET 50 -4.848 0.219 14.703 398 HG2 MET 50 1HG MET 50 -2.760 -0.011 15.933 399 HG3 MET 50 2HG MET 50 -1.828 0.224 14.454 400 HE1 MET 50 1HE MET 50 -3.556 2.599 13.036 401 HE2 MET 50 2HE MET 50 -1.793 2.555 13.088 402 HE3 MET 50 3HE MET 50 -2.656 3.999 13.620 403 H LYS 51 H LYS 51 -3.985 -2.824 11.641 404 HA LYS 51 HA LYS 51 -5.382 -3.730 10.186 405 HB2 LYS 51 1HB LYS 51 -7.362 -3.766 12.492 406 HB3 LYS 51 2HB LYS 51 -7.614 -4.608 10.967 407 HG2 LYS 51 1HG LYS 51 -5.467 -5.170 13.039 408 HG3 LYS 51 2HG LYS 51 -6.849 -6.191 12.634 409 HD2 LYS 51 1HD LYS 51 -4.477 -5.565 10.820 410 HD3 LYS 51 2HD LYS 51 -4.771 -7.081 11.668 411 HE2 LYS 51 1HE LYS 51 -6.471 -5.924 9.430 412 HE3 LYS 51 2HE LYS 51 -5.370 -7.295 9.308 413 HZ1 LYS 51 1HZ LYS 51 -6.763 -8.491 10.887 414 HZ2 LYS 51 2HZ LYS 51 -7.645 -8.022 9.520 415 HZ3 LYS 51 3HZ LYS 51 -7.822 -7.175 10.972 416 H LYS 52 H LYS 52 -5.344 -0.751 10.489 417 HA LYS 52 HA LYS 52 -7.835 0.033 9.184 418 HB2 LYS 52 1HB LYS 52 -5.234 1.541 9.702 419 HB3 LYS 52 2HB LYS 52 -6.501 2.213 8.688 420 HG2 LYS 52 1HG LYS 52 -6.670 3.168 10.895 421 HG3 LYS 52 2HG LYS 52 -8.071 2.136 10.604 422 HD2 LYS 52 1HD LYS 52 -7.072 0.359 11.992 423 HD3 LYS 52 2HD LYS 52 -5.627 1.342 12.239 424 HE2 LYS 52 1HE LYS 52 -7.127 1.416 14.197 425 HE3 LYS 52 2HE LYS 52 -6.951 3.010 13.465 426 HZ1 LYS 52 1HZ LYS 52 -9.086 2.752 12.412 427 HZ2 LYS 52 2HZ LYS 52 -9.251 2.492 14.073 428 HZ3 LYS 52 3HZ LYS 52 -9.250 1.179 13.011 429 H VAL 53 H VAL 53 -8.213 -0.265 7.086 430 HA VAL 53 HA VAL 53 -6.112 -1.220 5.267 431 HB VAL 53 HB VAL 53 -9.138 -1.088 4.820 432 HG11 VAL 53 1HG1 VAL 53 -7.863 -1.175 2.706 433 HG12 VAL 53 2HG1 VAL 53 -8.735 -2.686 2.967 434 HG13 VAL 53 3HG1 VAL 53 -6.999 -2.606 3.275 435 HG21 VAL 53 1HG2 VAL 53 -8.577 -2.584 6.725 436 HG22 VAL 53 2HG2 VAL 53 -7.486 -3.492 5.676 437 HG23 VAL 53 3HG2 VAL 53 -9.216 -3.485 5.347 438 H ILE 54 H ILE 54 -5.088 0.354 4.161 439 HA ILE 54 HA ILE 54 -6.605 2.656 3.044 440 HB ILE 54 HB ILE 54 -3.623 2.572 3.747 441 HG12 ILE 54 1HG1 ILE 54 -5.875 4.032 5.221 442 HG13 ILE 54 2HG1 ILE 54 -5.097 2.560 5.790 443 HG21 ILE 54 1HG2 ILE 54 -4.148 4.074 1.846 444 HG22 ILE 54 2HG2 ILE 54 -3.634 4.997 3.258 445 HG23 ILE 54 3HG2 ILE 54 -5.347 4.915 2.833 446 HD11 ILE 54 1HD1 ILE 54 -4.245 4.468 6.970 447 HD12 ILE 54 2HD1 ILE 54 -3.795 5.261 5.463 448 HD13 ILE 54 3HD1 ILE 54 -2.969 3.784 5.966 449 H CYS 55 H CYS 55 -6.647 2.708 0.843 450 HA CYS 55 HA CYS 55 -4.836 0.956 -0.716 451 HB2 CYS 55 2HB CYS 55 -7.530 2.166 -1.492 452 HB3 CYS 55 1HB CYS 55 -6.555 1.104 -2.508 453 H VAL 56 H VAL 56 -3.281 2.002 -1.821 454 HA VAL 56 HA VAL 56 -3.381 4.946 -2.115 455 HB VAL 56 HB VAL 56 -0.942 5.009 -1.731 456 HG11 VAL 56 1HG1 VAL 56 -2.452 3.597 0.498 457 HG12 VAL 56 2HG1 VAL 56 -2.332 5.339 0.235 458 HG13 VAL 56 3HG1 VAL 56 -0.901 4.414 0.696 459 HG21 VAL 56 1HG2 VAL 56 0.361 3.073 -1.027 460 HG22 VAL 56 2HG2 VAL 56 -0.390 2.712 -2.582 461 HG23 VAL 56 3HG2 VAL 56 -1.055 2.029 -1.099 462 H ASN 57 H ASN 57 -1.820 5.758 -3.768 463 HA ASN 57 HA ASN 57 -2.263 4.344 -6.277 464 HB2 ASN 57 1HB ASN 57 -1.759 6.473 -7.347 465 HB3 ASN 57 2HB ASN 57 -2.879 6.756 -6.023 466 HD21 ASN 57 1HD2 ASN 57 0.767 8.517 -6.061 467 HD22 ASN 57 2HD2 ASN 57 0.245 7.414 -7.281 468 HA PRO 58 HA PRO 58 1.903 2.684 -6.563 469 HB2 PRO 58 2HB PRO 58 2.210 2.615 -9.348 470 HB3 PRO 58 1HB PRO 58 1.289 1.424 -8.408 471 HG2 PRO 58 2HG PRO 58 0.274 3.825 -9.906 472 HG3 PRO 58 1HG PRO 58 -0.383 2.171 -9.851 473 HD2 PRO 58 2HD PRO 58 -1.492 4.122 -8.379 474 HD3 PRO 58 1HD PRO 58 -1.345 2.474 -7.727 475 H ARG 59 H ARG 59 1.212 5.713 -8.289 476 HA ARG 59 HA ARG 59 4.012 6.356 -8.755 477 HB2 ARG 59 1HB ARG 59 1.491 7.985 -9.256 478 HB3 ARG 59 2HB ARG 59 3.113 8.550 -9.647 479 HG2 ARG 59 1HG ARG 59 3.376 6.619 -11.210 480 HG3 ARG 59 2HG ARG 59 1.707 6.144 -10.870 481 HD2 ARG 59 1HD ARG 59 0.917 8.325 -11.741 482 HD3 ARG 59 2HD ARG 59 2.587 8.798 -12.072 483 HE ARG 59 HE ARG 59 2.013 6.376 -13.393 484 HH11 ARG 59 1HH1 ARG 59 1.195 9.782 -13.611 485 HH12 ARG 59 2HH1 ARG 59 0.908 9.732 -15.318 486 HH21 ARG 59 1HH2 ARG 59 1.647 6.327 -15.623 487 HH22 ARG 59 2HH2 ARG 59 1.166 7.764 -16.459 488 H ALA 60 H ALA 60 2.453 6.360 -5.915 489 HA ALA 60 HA ALA 60 3.080 8.912 -4.801 490 HB1 ALA 60 1HB ALA 60 2.762 6.213 -3.443 491 HB2 ALA 60 2HB ALA 60 1.482 7.390 -3.734 492 HB3 ALA 60 3HB ALA 60 2.795 7.773 -2.619 493 H LYS 61 H LYS 61 5.055 9.747 -4.418 494 HA LYS 61 HA LYS 61 7.464 8.409 -5.094 495 HB2 LYS 61 1HB LYS 61 7.174 11.004 -3.517 496 HB3 LYS 61 2HB LYS 61 8.626 10.457 -4.357 497 HG2 LYS 61 1HG LYS 61 7.502 10.710 -6.528 498 HG3 LYS 61 2HG LYS 61 5.998 11.157 -5.716 499 HD2 LYS 61 1HD LYS 61 7.318 13.125 -4.684 500 HD3 LYS 61 2HD LYS 61 8.594 12.736 -5.840 501 HE2 LYS 61 1HE LYS 61 5.742 13.524 -6.540 502 HE3 LYS 61 2HE LYS 61 7.156 14.569 -6.658 503 HZ1 LYS 61 1HZ LYS 61 8.066 13.092 -8.329 504 HZ2 LYS 61 2HZ LYS 61 6.542 13.652 -8.792 505 HZ3 LYS 61 3HZ LYS 61 6.719 12.077 -8.210 506 H TRP 62 H TRP 62 5.970 9.225 -1.979 507 HA TRP 62 HA TRP 62 8.023 8.378 -0.239 508 HB2 TRP 62 2HB TRP 62 6.318 8.370 1.522 509 HB3 TRP 62 1HB TRP 62 6.099 9.783 0.500 510 HD1 TRP 62 1HD TRP 62 3.810 9.923 -0.929 511 HE1 TRP 62 1HE TRP 62 1.591 8.643 -0.798 512 HE3 TRP 62 3HE TRP 62 5.275 6.033 2.059 513 HZ2 TRP 62 2HZ TRP 62 0.598 6.304 0.372 514 HZ3 TRP 62 3HZ TRP 62 3.623 4.301 2.621 515 HH2 TRP 62 2HH TRP 62 1.326 4.434 1.798 516 H LEU 63 H LEU 63 5.437 6.660 -1.874 517 HA LEU 63 HA LEU 63 5.532 4.207 -0.453 518 HB2 LEU 63 1HB LEU 63 3.588 4.932 -1.775 519 HB3 LEU 63 2HB LEU 63 4.542 4.873 -3.246 520 HG LEU 63 HG LEU 63 4.776 2.372 -2.915 521 HD11 LEU 63 1HD1 LEU 63 4.392 2.155 -0.557 522 HD12 LEU 63 2HD1 LEU 63 3.156 1.237 -1.411 523 HD13 LEU 63 3HD1 LEU 63 2.763 2.810 -0.709 524 HD21 LEU 63 1HD2 LEU 63 2.488 1.840 -3.683 525 HD22 LEU 63 2HD2 LEU 63 3.185 3.222 -4.516 526 HD23 LEU 63 3HD2 LEU 63 1.977 3.474 -3.255 527 H GLN 64 H GLN 64 7.225 5.485 -3.287 528 HA GLN 64 HA GLN 64 8.393 3.122 -4.253 529 HB2 GLN 64 1HB GLN 64 9.349 5.999 -4.440 530 HB3 GLN 64 2HB GLN 64 10.121 4.667 -5.301 531 HG2 GLN 64 1HG GLN 64 7.231 5.537 -5.633 532 HG3 GLN 64 2HG GLN 64 8.553 5.911 -6.740 533 HE21 GLN 64 1HE2 GLN 64 6.519 2.849 -7.779 534 HE22 GLN 64 2HE2 GLN 64 6.017 4.355 -7.110 535 H ARG 65 H ARG 65 9.333 5.204 -1.585 536 HA ARG 65 HA ARG 65 11.893 4.205 -0.979 537 HB2 ARG 65 1HB ARG 65 9.686 5.081 0.945 538 HB3 ARG 65 2HB ARG 65 11.374 4.843 1.395 539 HG2 ARG 65 1HG ARG 65 12.052 6.704 -0.048 540 HG3 ARG 65 2HG ARG 65 10.387 6.922 -0.592 541 HD2 ARG 65 1HD ARG 65 11.011 8.571 1.138 542 HD3 ARG 65 2HD ARG 65 9.690 7.527 1.673 543 HE ARG 65 HE ARG 65 12.374 6.697 2.468 544 HH11 ARG 65 1HH1 ARG 65 9.482 8.449 3.430 545 HH12 ARG 65 2HH1 ARG 65 9.854 8.370 5.117 546 HH21 ARG 65 1HH2 ARG 65 12.848 6.613 4.694 547 HH22 ARG 65 2HH2 ARG 65 11.754 7.331 5.836 548 H LEU 66 H LEU 66 8.672 3.148 0.055 549 HA LEU 66 HA LEU 66 9.469 0.997 1.724 550 HB2 LEU 66 1HB LEU 66 6.839 1.769 0.435 551 HB3 LEU 66 2HB LEU 66 6.980 0.280 1.333 552 HG LEU 66 HG LEU 66 5.902 1.994 2.689 553 HD11 LEU 66 1HD1 LEU 66 8.644 1.451 3.850 554 HD12 LEU 66 2HD1 LEU 66 7.300 0.306 3.827 555 HD13 LEU 66 3HD1 LEU 66 7.152 1.819 4.715 556 HD21 LEU 66 1HD2 LEU 66 8.421 3.675 2.483 557 HD22 LEU 66 2HD2 LEU 66 6.985 4.035 3.442 558 HD23 LEU 66 3HD2 LEU 66 6.882 4.019 1.685 559 H LEU 67 H LEU 67 8.363 1.176 -1.643 560 HA LEU 67 HA LEU 67 8.165 -1.585 -2.170 561 HB2 LEU 67 1HB LEU 67 8.653 0.693 -4.131 562 HB3 LEU 67 2HB LEU 67 8.178 -0.937 -4.580 563 HG LEU 67 HG LEU 67 6.480 1.006 -2.963 564 HD11 LEU 67 1HD1 LEU 67 5.046 1.136 -4.951 565 HD12 LEU 67 2HD1 LEU 67 6.192 0.140 -5.851 566 HD13 LEU 67 3HD1 LEU 67 6.671 1.739 -5.271 567 HD21 LEU 67 1HD2 LEU 67 5.781 -1.769 -3.988 568 HD22 LEU 67 2HD2 LEU 67 4.643 -0.630 -3.262 569 HD23 LEU 67 3HD2 LEU 67 5.964 -1.282 -2.300 570 H ARG 68 H ARG 68 10.862 0.708 -2.552 571 HA ARG 68 HA ARG 68 12.575 -1.259 -3.845 572 HB2 ARG 68 1HB ARG 68 13.125 1.570 -2.894 573 HB3 ARG 68 2HB ARG 68 14.293 0.568 -3.760 574 HG2 ARG 68 1HG ARG 68 12.744 0.462 -5.701 575 HG3 ARG 68 2HG ARG 68 11.603 1.499 -4.837 576 HD2 ARG 68 1HD ARG 68 12.944 2.790 -6.458 577 HD3 ARG 68 2HD ARG 68 13.261 3.309 -4.800 578 HE ARG 68 HE ARG 68 15.352 2.156 -4.855 579 HH11 ARG 68 1HH1 ARG 68 13.813 2.383 -8.016 580 HH12 ARG 68 2HH1 ARG 68 15.289 2.092 -8.878 581 HH21 ARG 68 1HH2 ARG 68 17.260 1.731 -5.995 582 HH22 ARG 68 2HH2 ARG 68 17.247 1.719 -7.727 583 H HIS 69 H HIS 69 12.019 -0.158 -0.561 584 HA HIS 69 HA HIS 69 14.536 -1.170 0.472 585 HB2 HIS 69 1HB HIS 69 12.137 0.145 1.762 586 HB3 HIS 69 2HB HIS 69 13.217 -0.796 2.784 587 HD1 HIS 69 HD1 HIS 69 15.687 0.053 3.011 588 HD2 HIS 69 HD2 HIS 69 13.168 2.651 0.971 589 HE1 HIS 69 HE1 HIS 69 16.902 2.241 2.907 590 HE2 HIS 69 HE2 HIS 69 15.326 3.806 1.751 591 H VAL 70 H VAL 70 11.242 -2.405 0.159 592 HA VAL 70 HA VAL 70 11.767 -4.814 1.678 593 HB VAL 70 HB VAL 70 9.598 -5.666 0.870 594 HG11 VAL 70 1HG1 VAL 70 9.434 -2.771 1.796 595 HG12 VAL 70 2HG1 VAL 70 9.597 -4.190 2.830 596 HG13 VAL 70 3HG1 VAL 70 8.123 -3.953 1.891 597 HG21 VAL 70 1HG2 VAL 70 9.613 -4.799 -1.438 598 HG22 VAL 70 2HG2 VAL 70 9.420 -3.152 -0.840 599 HG23 VAL 70 3HG2 VAL 70 8.132 -4.333 -0.606 600 H GLN 71 H GLN 71 12.929 -3.827 -1.248 601 HA GLN 71 HA GLN 71 13.104 -6.459 -2.535 602 HB2 GLN 71 1HB GLN 71 14.101 -3.696 -3.343 603 HB3 GLN 71 2HB GLN 71 14.361 -5.149 -4.309 604 HG2 GLN 71 1HG GLN 71 11.972 -5.416 -4.640 605 HG3 GLN 71 2HG GLN 71 11.633 -4.068 -3.557 606 HE21 GLN 71 1HE2 GLN 71 11.315 -2.163 -6.456 607 HE22 GLN 71 2HE2 GLN 71 10.533 -2.909 -5.112 608 H SER 72 H SER 72 15.517 -6.572 -3.629 609 HA SER 72 HA SER 72 17.130 -7.538 -1.483 610 HB2 SER 72 1HB SER 72 16.935 -8.749 -3.636 611 HB3 SER 72 2HB SER 72 17.712 -7.407 -4.472 612 HG SER 72 HG SER 72 18.846 -9.141 -2.536 613 H LYS 73 H LYS 73 17.547 -5.566 -0.335 614 HA LYS 73 HA LYS 73 20.182 -4.600 -0.834 615 HB2 LYS 73 1HB LYS 73 18.862 -2.977 -2.265 616 HB3 LYS 73 2HB LYS 73 17.966 -2.480 -0.836 617 HG2 LYS 73 1HG LYS 73 19.701 -0.843 -1.324 618 HG3 LYS 73 2HG LYS 73 20.082 -1.666 0.192 619 HD2 LYS 73 1HD LYS 73 21.712 -3.113 -1.001 620 HD3 LYS 73 2HD LYS 73 21.317 -2.310 -2.523 621 HE2 LYS 73 1HE LYS 73 22.526 -0.939 -0.099 622 HE3 LYS 73 2HE LYS 73 23.439 -1.484 -1.504 623 HZ1 LYS 73 1HZ LYS 73 21.309 0.583 -1.498 624 HZ2 LYS 73 2HZ LYS 73 22.137 0.052 -2.869 625 HZ3 LYS 73 3HZ LYS 73 22.970 0.865 -1.640 626 H SER 74 H SER 74 20.641 -5.485 1.153 627 HA SER 74 HA SER 74 19.106 -4.830 3.553 628 HB2 SER 74 1HB SER 74 21.523 -6.636 3.118 629 HB3 SER 74 2HB SER 74 20.666 -6.453 4.651 630 HG SER 74 HG SER 74 18.803 -7.232 3.619 631 H LEU 75 H LEU 75 20.398 -2.620 2.305 632 HA LEU 75 HA LEU 75 22.075 -1.676 4.531 633 HB2 LEU 75 1HB LEU 75 22.595 -1.225 1.564 634 HB3 LEU 75 2HB LEU 75 23.363 -0.285 2.834 635 HG LEU 75 HG LEU 75 23.707 -3.293 2.471 636 HD11 LEU 75 1HD1 LEU 75 25.961 -2.789 1.655 637 HD12 LEU 75 2HD1 LEU 75 25.610 -1.059 1.724 638 HD13 LEU 75 3HD1 LEU 75 24.722 -2.100 0.607 639 HD21 LEU 75 1HD2 LEU 75 25.130 -1.361 4.340 640 HD22 LEU 75 2HD2 LEU 75 25.569 -3.052 4.090 641 HD23 LEU 75 3HD2 LEU 75 24.013 -2.650 4.805 642 H SER 76 H SER 76 20.543 -0.521 5.476 643 HA SER 76 HA SER 76 19.373 1.810 4.068 644 HB2 SER 76 1HB SER 76 18.033 0.081 6.210 645 HB3 SER 76 2HB SER 76 17.333 1.521 5.466 646 HG SER 76 HG SER 76 18.101 -0.827 4.073 647 H SER 77 H SER 77 18.308 3.025 6.392 648 HA SER 77 HA SER 77 20.572 4.040 7.806 649 HB2 SER 77 1HB SER 77 18.429 5.315 7.382 650 HB3 SER 77 2HB SER 77 17.625 4.278 8.558 651 HG SER 77 HG SER 77 19.542 6.282 8.943 652 H THR 78 H THR 78 20.315 4.074 10.392 653 HA THR 78 HA THR 78 21.101 1.566 11.339 654 HB THR 78 HB THR 78 20.817 2.635 13.661 655 HG1 THR 78 1HG THR 78 19.075 4.071 12.935 656 HG21 THR 78 1HG2 THR 78 22.358 4.250 11.591 657 HG22 THR 78 2HG2 THR 78 22.958 2.817 12.433 658 HG23 THR 78 3HG2 THR 78 22.617 4.296 13.334 659 HA PRO 79 HA PRO 79 17.215 -0.628 11.712 660 HB2 PRO 79 2HB PRO 79 17.927 -2.577 13.573 661 HB3 PRO 79 1HB PRO 79 18.427 -2.613 11.867 662 HG2 PRO 79 2HG PRO 79 19.970 -1.607 14.252 663 HG3 PRO 79 1HG PRO 79 20.518 -2.663 12.927 664 HD2 PRO 79 2HD PRO 79 21.115 -0.047 12.918 665 HD3 PRO 79 1HD PRO 79 20.696 -0.876 11.398 666 H GLN 80 H GLN 80 15.382 -0.718 12.995 667 HA GLN 80 HA GLN 80 15.462 0.449 15.696 668 HB2 GLN 80 1HB GLN 80 13.449 1.884 15.074 669 HB3 GLN 80 2HB GLN 80 14.974 2.370 14.358 670 HG2 GLN 80 1HG GLN 80 13.343 2.639 12.655 671 HG3 GLN 80 2HG GLN 80 14.250 1.197 12.227 672 HE21 GLN 80 1HE2 GLN 80 11.132 -0.262 11.561 673 HE22 GLN 80 2HE2 GLN 80 12.650 0.291 10.954 674 H ALA 81 H ALA 81 13.391 0.248 16.814 675 HA ALA 81 HA ALA 81 11.470 -1.735 15.970 676 HB1 ALA 81 1HB ALA 81 11.714 -3.130 18.019 677 HB2 ALA 81 2HB ALA 81 13.127 -2.180 18.495 678 HB3 ALA 81 3HB ALA 81 13.180 -3.170 17.038 679 HA PRO 82 HA PRO 82 9.216 1.633 18.138 680 HB2 PRO 82 2HB PRO 82 6.682 0.449 18.034 681 HB3 PRO 82 1HB PRO 82 7.408 1.369 16.699 682 HG2 PRO 82 2HG PRO 82 7.326 -1.608 17.100 683 HG3 PRO 82 1HG PRO 82 7.037 -0.664 15.619 684 HD2 PRO 82 2HD PRO 82 9.388 -1.901 16.016 685 HD3 PRO 82 1HD PRO 82 9.331 -0.307 15.235 686 H VAL 83 H VAL 83 8.896 -1.791 18.918 687 HA VAL 83 HA VAL 83 8.687 -1.177 21.807 688 HB VAL 83 HB VAL 83 8.135 -3.890 20.503 689 HG11 VAL 83 1HG1 VAL 83 6.969 -4.401 22.622 690 HG12 VAL 83 2HG1 VAL 83 7.356 -2.793 23.234 691 HG13 VAL 83 3HG1 VAL 83 8.650 -3.950 22.920 692 HG21 VAL 83 1HG2 VAL 83 6.511 -2.293 19.558 693 HG22 VAL 83 2HG2 VAL 83 6.067 -1.755 21.179 694 HG23 VAL 83 3HG2 VAL 83 5.705 -3.405 20.666 695 H SER 84 H SER 84 11.014 -0.606 21.471 696 HA SER 84 HA SER 84 12.939 -2.700 20.984 697 HB2 SER 84 1HB SER 84 14.606 -0.953 21.700 698 HB3 SER 84 2HB SER 84 13.525 -0.397 20.421 699 HG SER 84 HG SER 84 13.975 0.860 22.587 700 H LYS 85 H LYS 85 11.949 -0.814 23.850 701 HA LYS 85 HA LYS 85 13.279 -2.575 25.739 702 HB2 LYS 85 1HB LYS 85 11.289 -0.318 26.289 703 HB3 LYS 85 2HB LYS 85 12.378 -1.075 27.448 704 HG2 LYS 85 1HG LYS 85 14.326 -0.149 26.218 705 HG3 LYS 85 2HG LYS 85 13.228 0.604 25.061 706 HD2 LYS 85 1HD LYS 85 13.762 2.380 26.512 707 HD3 LYS 85 2HD LYS 85 12.209 1.832 27.133 708 HE2 LYS 85 1HE LYS 85 13.780 2.305 28.959 709 HE3 LYS 85 2HE LYS 85 13.391 0.589 28.938 710 HZ1 LYS 85 1HZ LYS 85 15.734 0.929 29.269 711 HZ2 LYS 85 2HZ LYS 85 15.857 1.839 27.851 712 HZ3 LYS 85 3HZ LYS 85 15.489 0.191 27.769 713 H ARG 86 H ARG 86 12.359 -4.338 26.663 714 HA ARG 86 HA ARG 86 11.001 -6.115 26.951 715 HB2 ARG 86 1HB ARG 86 9.878 -4.497 28.503 716 HB3 ARG 86 2HB ARG 86 8.829 -3.983 27.189 717 HG2 ARG 86 1HG ARG 86 7.858 -6.279 27.095 718 HG3 ARG 86 2HG ARG 86 8.880 -6.746 28.457 719 HD2 ARG 86 1HD ARG 86 6.564 -6.199 29.163 720 HD3 ARG 86 2HD ARG 86 7.754 -5.123 29.903 721 HE ARG 86 HE ARG 86 6.302 -4.293 27.469 722 HH11 ARG 86 1HH1 ARG 86 6.986 -3.724 30.877 723 HH12 ARG 86 2HH1 ARG 86 6.217 -2.172 30.890 724 HH21 ARG 86 1HH2 ARG 86 5.279 -2.280 27.524 725 HH22 ARG 86 2HH2 ARG 86 5.248 -1.358 28.994 726 H ARG 87 H ARG 87 11.687 -6.201 24.569 727 HA ARG 87 HA ARG 87 9.839 -5.612 22.489 728 HB2 ARG 87 1HB ARG 87 11.546 -7.174 21.127 729 HB3 ARG 87 2HB ARG 87 11.951 -5.541 21.604 730 HG2 ARG 87 1HG ARG 87 13.854 -7.020 21.944 731 HG3 ARG 87 2HG ARG 87 13.293 -6.396 23.494 732 HD2 ARG 87 1HD ARG 87 12.153 -8.544 23.939 733 HD3 ARG 87 2HD ARG 87 12.687 -9.151 22.370 734 HE ARG 87 HE ARG 87 14.916 -8.327 23.894 735 HH11 ARG 87 1HH1 ARG 87 12.529 -10.910 23.829 736 HH12 ARG 87 2HH1 ARG 87 13.589 -12.063 24.570 737 HH21 ARG 87 1HH2 ARG 87 16.313 -9.890 24.767 738 HH22 ARG 87 2HH2 ARG 87 15.725 -11.486 25.098 739 H ALA 88 H ALA 88 7.926 -6.609 23.235 740 HA ALA 88 HA ALA 88 7.627 -9.386 23.751 741 HB1 ALA 88 1HB ALA 88 6.134 -7.677 24.710 742 HB2 ALA 88 2HB ALA 88 5.217 -8.902 23.832 743 HB3 ALA 88 3HB ALA 88 5.496 -7.317 23.103 744 H ALA 89 H ALA 89 7.026 -11.050 22.472 745 HA ALA 89 HA ALA 89 7.017 -10.711 19.560 746 HB1 ALA 89 1HB ALA 89 7.291 -13.169 19.497 747 HB2 ALA 89 2HB ALA 89 7.147 -13.240 21.255 748 HB3 ALA 89 3HB ALA 89 8.519 -12.411 20.518 Start of MODEL 8 1 H1 MET 1 1H MET 1 7.097 -5.458 8.313 2 H2 MET 1 2H MET 1 5.463 -5.810 8.547 3 H3 MET 1 3H MET 1 6.025 -4.232 8.763 4 HA MET 1 HA MET 1 4.837 -4.456 6.698 5 HB2 MET 1 1HB MET 1 7.837 -4.043 6.306 6 HB3 MET 1 2HB MET 1 6.587 -3.509 5.187 7 HG2 MET 1 1HG MET 1 5.693 -1.988 6.912 8 HG3 MET 1 2HG MET 1 6.943 -2.531 8.032 9 HE1 MET 1 1HE MET 1 6.195 -0.539 4.717 10 HE2 MET 1 2HE MET 1 7.288 -1.801 4.140 11 HE3 MET 1 3HE MET 1 7.823 -0.122 4.181 12 H ILE 2 H ILE 2 4.020 -6.419 6.021 13 HA ILE 2 HA ILE 2 5.771 -8.452 4.798 14 HB ILE 2 HB ILE 2 2.741 -8.566 5.268 15 HG12 ILE 2 1HG1 ILE 2 3.463 -10.410 7.011 16 HG13 ILE 2 2HG1 ILE 2 5.044 -9.646 6.944 17 HG21 ILE 2 1HG2 ILE 2 2.931 -10.983 4.739 18 HG22 ILE 2 2HG2 ILE 2 4.646 -10.764 4.382 19 HG23 ILE 2 3HG2 ILE 2 3.428 -9.975 3.377 20 HD11 ILE 2 1HD1 ILE 2 3.737 -8.912 8.849 21 HD12 ILE 2 2HD1 ILE 2 2.474 -8.308 7.775 22 HD13 ILE 2 3HD1 ILE 2 4.078 -7.569 7.759 23 H LEU 3 H LEU 3 5.809 -8.720 2.540 24 HA LEU 3 HA LEU 3 4.218 -6.841 0.915 25 HB2 LEU 3 1HB LEU 3 6.651 -6.653 0.639 26 HB3 LEU 3 2HB LEU 3 6.766 -8.361 0.257 27 HG LEU 3 HG LEU 3 5.377 -7.915 -1.838 28 HD11 LEU 3 1HD1 LEU 3 5.806 -5.007 -1.102 29 HD12 LEU 3 2HD1 LEU 3 4.265 -5.858 -1.246 30 HD13 LEU 3 3HD1 LEU 3 5.248 -5.586 -2.676 31 HD21 LEU 3 1HD2 LEU 3 7.798 -8.175 -1.965 32 HD22 LEU 3 2HD2 LEU 3 8.023 -6.454 -1.651 33 HD23 LEU 3 3HD2 LEU 3 7.235 -6.988 -3.138 34 H GLU 4 H GLU 4 2.370 -7.773 0.254 35 HA GLU 4 HA GLU 4 2.267 -10.554 -0.679 36 HB2 GLU 4 1HB GLU 4 0.070 -8.516 -0.135 37 HB3 GLU 4 2HB GLU 4 -0.226 -10.141 -0.740 38 HG2 GLU 4 1HG GLU 4 1.027 -9.437 1.938 39 HG3 GLU 4 2HG GLU 4 -0.646 -9.937 1.685 40 H ALA 5 H ALA 5 1.692 -11.083 -2.748 41 HA ALA 5 HA ALA 5 1.523 -8.952 -4.809 42 HB1 ALA 5 1HB ALA 5 3.635 -10.227 -4.956 43 HB2 ALA 5 2HB ALA 5 2.610 -10.545 -6.357 44 HB3 ALA 5 3HB ALA 5 2.731 -11.739 -5.059 45 H HIS 6 H HIS 6 -0.517 -8.859 -5.588 46 HA HIS 6 HA HIS 6 -2.433 -10.971 -5.078 47 HB2 HIS 6 1HB HIS 6 -3.067 -8.598 -4.768 48 HB3 HIS 6 2HB HIS 6 -2.785 -8.289 -6.475 49 HD1 HIS 6 HD1 HIS 6 -5.266 -9.772 -4.107 50 HD2 HIS 6 HD2 HIS 6 -4.859 -9.216 -8.205 51 HE1 HIS 6 HE1 HIS 6 -7.530 -10.236 -5.082 52 HE2 HIS 6 HE2 HIS 6 -7.192 -10.098 -7.569 53 H TYR 7 H TYR 7 -3.240 -12.361 -6.506 54 HA TYR 7 HA TYR 7 -3.109 -11.959 -9.377 55 HB2 TYR 7 2HB TYR 7 -0.943 -13.104 -8.843 56 HB3 TYR 7 1HB TYR 7 -1.828 -14.422 -8.086 57 HD1 TYR 7 1HD TYR 7 -2.647 -16.255 -9.426 58 HD2 TYR 7 2HD TYR 7 -1.268 -12.695 -11.368 59 HE1 TYR 7 1HE TYR 7 -2.794 -17.382 -11.600 60 HE2 TYR 7 2HE TYR 7 -1.417 -13.831 -13.544 61 HH TYR 7 HH TYR 7 -3.038 -16.790 -13.975 62 H THR 8 H THR 8 -4.349 -13.555 -6.524 63 HA THR 8 HA THR 8 -6.069 -15.457 -7.743 64 HB THR 8 HB THR 8 -7.279 -15.444 -5.507 65 HG1 THR 8 1HG THR 8 -7.091 -13.440 -4.690 66 HG21 THR 8 1HG2 THR 8 -4.245 -15.595 -5.307 67 HG22 THR 8 2HG2 THR 8 -5.306 -16.910 -5.819 68 HG23 THR 8 3HG2 THR 8 -5.393 -16.294 -4.168 69 H ASN 9 H ASN 9 -7.793 -15.082 -8.958 70 HA ASN 9 HA ASN 9 -8.990 -12.569 -9.409 71 HB2 ASN 9 1HB ASN 9 -10.737 -13.936 -10.708 72 HB3 ASN 9 2HB ASN 9 -9.067 -14.071 -11.232 73 HD21 ASN 9 1HD2 ASN 9 -11.063 -17.332 -9.825 74 HD22 ASN 9 2HD2 ASN 9 -11.733 -15.749 -9.716 75 H LEU 10 H LEU 10 -9.789 -11.626 -7.663 76 HA LEU 10 HA LEU 10 -12.255 -12.542 -6.429 77 HB2 LEU 10 1HB LEU 10 -10.230 -13.562 -5.178 78 HB3 LEU 10 2HB LEU 10 -9.810 -11.934 -4.693 79 HG LEU 10 HG LEU 10 -12.445 -13.280 -3.926 80 HD11 LEU 10 1HD1 LEU 10 -9.902 -13.127 -2.271 81 HD12 LEU 10 2HD1 LEU 10 -10.576 -14.580 -3.013 82 HD13 LEU 10 3HD1 LEU 10 -11.464 -13.759 -1.734 83 HD21 LEU 10 1HD2 LEU 10 -12.568 -11.563 -2.151 84 HD22 LEU 10 2HD2 LEU 10 -12.529 -10.830 -3.750 85 HD23 LEU 10 3HD2 LEU 10 -11.076 -10.829 -2.753 86 H LYS 11 H LYS 11 -13.499 -10.796 -5.910 87 HA LYS 11 HA LYS 11 -13.112 -8.260 -6.931 88 HB2 LYS 11 1HB LYS 11 -14.912 -9.102 -4.610 89 HB3 LYS 11 2HB LYS 11 -14.948 -7.491 -5.304 90 HG2 LYS 11 1HG LYS 11 -16.790 -8.663 -6.230 91 HG3 LYS 11 2HG LYS 11 -15.585 -8.538 -7.514 92 HD2 LYS 11 1HD LYS 11 -14.889 -10.896 -7.055 93 HD3 LYS 11 2HD LYS 11 -16.134 -11.006 -5.806 94 HE2 LYS 11 1HE LYS 11 -17.886 -10.719 -7.472 95 HE3 LYS 11 2HE LYS 11 -16.688 -10.436 -8.738 96 HZ1 LYS 11 1HZ LYS 11 -17.048 -12.956 -7.217 97 HZ2 LYS 11 2HZ LYS 11 -15.885 -12.690 -8.412 98 HZ3 LYS 11 3HZ LYS 11 -17.525 -12.681 -8.818 99 H CYS 12 H CYS 12 -11.305 -7.109 -6.442 100 HA CYS 12 HA CYS 12 -10.098 -6.978 -3.870 101 HB2 CYS 12 2HB CYS 12 -9.736 -5.096 -6.239 102 HB3 CYS 12 1HB CYS 12 -8.637 -5.280 -4.869 103 H ARG 13 H ARG 13 -11.249 -6.134 -2.232 104 HA ARG 13 HA ARG 13 -13.077 -3.896 -2.574 105 HB2 ARG 13 1HB ARG 13 -12.325 -5.509 -0.093 106 HB3 ARG 13 2HB ARG 13 -13.594 -4.283 -0.169 107 HG2 ARG 13 1HG ARG 13 -14.796 -5.671 -1.858 108 HG3 ARG 13 2HG ARG 13 -13.545 -6.906 -1.707 109 HD2 ARG 13 1HD ARG 13 -15.457 -7.559 -0.388 110 HD3 ARG 13 2HD ARG 13 -14.132 -7.156 0.702 111 HE ARG 13 HE ARG 13 -15.289 -4.926 0.958 112 HH11 ARG 13 1HH1 ARG 13 -17.143 -7.820 0.187 113 HH12 ARG 13 2HH1 ARG 13 -18.596 -7.226 0.903 114 HH21 ARG 13 1HH2 ARG 13 -17.221 -4.176 1.922 115 HH22 ARG 13 2HH2 ARG 13 -18.647 -5.159 1.886 116 H CYS 14 H CYS 14 -11.724 -2.261 -3.129 117 HA CYS 14 HA CYS 14 -9.960 -1.096 -1.066 118 HB2 CYS 14 2HB CYS 14 -8.542 -2.296 -2.696 119 HB3 CYS 14 1HB CYS 14 -9.319 -1.457 -4.031 120 H SER 15 H SER 15 -10.525 0.969 -0.709 121 HA SER 15 HA SER 15 -12.600 2.245 -2.270 122 HB2 SER 15 1HB SER 15 -11.083 3.291 0.164 123 HB3 SER 15 2HB SER 15 -12.596 3.933 -0.487 124 HG SER 15 HG SER 15 -13.341 1.627 -0.105 125 H GLY 16 H GLY 16 -11.288 2.330 -4.231 126 HA2 GLY 16 1HA GLY 16 -10.171 3.461 -5.859 127 HA3 GLY 16 2HA GLY 16 -10.396 4.902 -4.880 128 H VAL 17 H VAL 17 -8.486 5.898 -4.742 129 HA VAL 17 HA VAL 17 -6.228 4.524 -3.464 130 HB VAL 17 HB VAL 17 -4.586 5.800 -4.943 131 HG11 VAL 17 1HG1 VAL 17 -4.873 3.389 -5.282 132 HG12 VAL 17 2HG1 VAL 17 -4.617 4.186 -6.835 133 HG13 VAL 17 3HG1 VAL 17 -6.238 3.674 -6.364 134 HG21 VAL 17 1HG2 VAL 17 -6.125 7.469 -5.901 135 HG22 VAL 17 2HG2 VAL 17 -6.989 6.200 -6.770 136 HG23 VAL 17 3HG2 VAL 17 -5.311 6.569 -7.184 137 H ILE 18 H ILE 18 -5.294 5.792 -1.909 138 HA ILE 18 HA ILE 18 -6.121 8.631 -1.661 139 HB ILE 18 HB ILE 18 -5.376 6.845 0.710 140 HG12 ILE 18 1HG1 ILE 18 -8.204 7.555 -0.223 141 HG13 ILE 18 2HG1 ILE 18 -7.458 5.969 -0.383 142 HG21 ILE 18 1HG2 ILE 18 -6.768 9.558 0.574 143 HG22 ILE 18 2HG2 ILE 18 -5.085 9.286 1.030 144 HG23 ILE 18 3HG2 ILE 18 -6.378 8.668 2.052 145 HD11 ILE 18 1HD1 ILE 18 -8.978 5.992 1.471 146 HD12 ILE 18 2HD1 ILE 18 -8.147 7.362 2.203 147 HD13 ILE 18 3HD1 ILE 18 -7.331 5.801 2.070 148 H SER 19 H SER 19 -4.455 9.997 -1.824 149 HA SER 19 HA SER 19 -1.739 8.926 -2.098 150 HB2 SER 19 1HB SER 19 -1.352 11.226 -3.155 151 HB3 SER 19 2HB SER 19 -2.535 10.210 -3.975 152 HG SER 19 HG SER 19 -3.280 12.126 -2.025 153 H THR 20 H THR 20 -2.856 9.314 0.623 154 HA THR 20 HA THR 20 -1.297 11.523 1.778 155 HB THR 20 HB THR 20 -2.328 10.708 3.972 156 HG1 THR 20 1HG THR 20 -2.691 8.506 2.974 157 HG21 THR 20 1HG2 THR 20 -4.604 11.537 3.486 158 HG22 THR 20 2HG2 THR 20 -4.318 11.328 1.758 159 HG23 THR 20 3HG2 THR 20 -3.394 12.529 2.661 160 H VAL 21 H VAL 21 0.500 11.213 3.059 161 HA VAL 21 HA VAL 21 2.065 8.851 2.729 162 HB VAL 21 HB VAL 21 3.160 11.075 2.929 163 HG11 VAL 21 1HG1 VAL 21 3.445 12.208 5.121 164 HG12 VAL 21 2HG1 VAL 21 2.323 11.063 5.857 165 HG13 VAL 21 3HG1 VAL 21 1.756 12.180 4.618 166 HG21 VAL 21 1HG2 VAL 21 4.493 9.058 3.404 167 HG22 VAL 21 2HG2 VAL 21 4.038 9.132 5.108 168 HG23 VAL 21 3HG2 VAL 21 5.042 10.404 4.409 169 H VAL 22 H VAL 22 2.343 7.149 4.059 170 HA VAL 22 HA VAL 22 0.911 7.036 6.657 171 HB VAL 22 HB VAL 22 1.388 4.653 4.799 172 HG11 VAL 22 1HG1 VAL 22 1.142 4.045 7.168 173 HG12 VAL 22 2HG1 VAL 22 -0.253 3.487 6.243 174 HG13 VAL 22 3HG1 VAL 22 -0.383 4.930 7.254 175 HG21 VAL 22 1HG2 VAL 22 -1.023 4.757 4.192 176 HG22 VAL 22 2HG2 VAL 22 -0.168 6.214 3.678 177 HG23 VAL 22 3HG2 VAL 22 -1.188 6.251 5.118 178 H GLY 23 H GLY 23 2.123 6.385 8.394 179 HA2 GLY 23 1HA GLY 23 4.959 6.527 8.233 180 HA3 GLY 23 2HA GLY 23 4.012 6.158 9.663 181 H LEU 24 H LEU 24 6.494 4.964 8.257 182 HA LEU 24 HA LEU 24 5.838 2.408 7.225 183 HB2 LEU 24 1HB LEU 24 8.442 3.648 8.159 184 HB3 LEU 24 2HB LEU 24 8.375 1.973 7.643 185 HG LEU 24 HG LEU 24 7.586 2.702 5.381 186 HD11 LEU 24 1HD1 LEU 24 6.516 4.824 5.906 187 HD12 LEU 24 2HD1 LEU 24 7.760 5.057 4.683 188 HD13 LEU 24 3HD1 LEU 24 8.070 5.533 6.356 189 HD21 LEU 24 1HD2 LEU 24 9.961 2.260 5.770 190 HD22 LEU 24 2HD2 LEU 24 10.219 3.942 6.246 191 HD23 LEU 24 3HD2 LEU 24 9.749 3.550 4.588 192 H ASN 25 H ASN 25 6.361 3.561 10.474 193 HA ASN 25 HA ASN 25 6.784 1.042 11.764 194 HB2 ASN 25 1HB ASN 25 7.467 3.134 12.869 195 HB3 ASN 25 2HB ASN 25 5.802 3.710 12.869 196 HD21 ASN 25 1HD2 ASN 25 5.596 2.548 16.168 197 HD22 ASN 25 2HD2 ASN 25 5.561 3.885 15.082 198 H ILE 26 H ILE 26 3.899 2.952 10.868 199 HA ILE 26 HA ILE 26 2.141 1.187 12.428 200 HB ILE 26 HB ILE 26 0.311 2.658 11.971 201 HG12 ILE 26 1HG1 ILE 26 2.038 4.205 9.975 202 HG13 ILE 26 2HG1 ILE 26 0.757 3.082 9.535 203 HG21 ILE 26 1HG2 ILE 26 1.120 4.811 12.874 204 HG22 ILE 26 2HG2 ILE 26 2.782 4.372 12.467 205 HG23 ILE 26 3HG2 ILE 26 1.895 3.448 13.683 206 HD11 ILE 26 1HD1 ILE 26 -0.894 4.528 10.585 207 HD12 ILE 26 2HD1 ILE 26 0.036 5.387 9.361 208 HD13 ILE 26 3HD1 ILE 26 0.380 5.654 11.069 209 H ILE 27 H ILE 27 3.324 1.474 9.196 210 HA ILE 27 HA ILE 27 1.307 -0.005 7.825 211 HB ILE 27 HB ILE 27 4.274 0.366 7.201 212 HG12 ILE 27 1HG1 ILE 27 1.784 1.742 6.086 213 HG13 ILE 27 2HG1 ILE 27 2.976 2.462 7.148 214 HG21 ILE 27 1HG2 ILE 27 3.776 -0.435 4.910 215 HG22 ILE 27 2HG2 ILE 27 2.130 -0.830 5.409 216 HG23 ILE 27 3HG2 ILE 27 3.499 -1.693 6.114 217 HD11 ILE 27 1HD1 ILE 27 3.421 1.604 4.292 218 HD12 ILE 27 2HD1 ILE 27 4.662 2.252 5.368 219 HD13 ILE 27 3HD1 ILE 27 3.286 3.250 4.911 220 H ASP 28 H ASP 28 0.809 -2.079 8.098 221 HA ASP 28 HA ASP 28 2.672 -3.948 9.400 222 HB2 ASP 28 1HB ASP 28 0.336 -3.640 10.339 223 HB3 ASP 28 2HB ASP 28 -0.312 -4.310 8.845 224 H ARG 29 H ARG 29 0.522 -3.679 6.542 225 HA ARG 29 HA ARG 29 2.106 -5.722 5.106 226 HB2 ARG 29 1HB ARG 29 -0.949 -5.736 5.204 227 HB3 ARG 29 2HB ARG 29 0.074 -6.885 4.343 228 HG2 ARG 29 1HG ARG 29 0.892 -7.805 6.440 229 HG3 ARG 29 2HG ARG 29 0.054 -6.558 7.363 230 HD2 ARG 29 1HD ARG 29 -2.120 -7.504 6.387 231 HD3 ARG 29 2HD ARG 29 -1.154 -8.880 5.839 232 HE ARG 29 HE ARG 29 -0.746 -8.334 8.616 233 HH11 ARG 29 1HH1 ARG 29 -2.992 -9.909 6.412 234 HH12 ARG 29 2HH1 ARG 29 -3.607 -10.980 7.628 235 HH21 ARG 29 1HH2 ARG 29 -1.605 -9.710 10.198 236 HH22 ARG 29 2HH2 ARG 29 -2.823 -10.867 9.766 237 H ILE 30 H ILE 30 2.023 -5.522 2.847 238 HA ILE 30 HA ILE 30 0.646 -3.250 1.578 239 HB ILE 30 HB ILE 30 3.635 -3.879 1.289 240 HG12 ILE 30 1HG1 ILE 30 2.217 -1.371 2.292 241 HG13 ILE 30 2HG1 ILE 30 3.143 -2.502 3.272 242 HG21 ILE 30 1HG2 ILE 30 1.992 -1.874 -0.299 243 HG22 ILE 30 2HG2 ILE 30 2.687 -3.370 -0.924 244 HG23 ILE 30 3HG2 ILE 30 3.746 -2.065 -0.393 245 HD11 ILE 30 1HD1 ILE 30 4.225 -0.658 1.141 246 HD12 ILE 30 2HD1 ILE 30 5.180 -1.848 2.032 247 HD13 ILE 30 3HD1 ILE 30 4.415 -0.511 2.887 248 H GLN 31 H GLN 31 -0.610 -4.294 0.086 249 HA GLN 31 HA GLN 31 0.485 -6.594 -1.415 250 HB2 GLN 31 1HB GLN 31 -1.586 -7.102 -0.190 251 HB3 GLN 31 2HB GLN 31 -2.408 -5.755 -0.965 252 HG2 GLN 31 1HG GLN 31 -2.342 -6.870 -3.114 253 HG3 GLN 31 2HG GLN 31 -1.316 -8.150 -2.472 254 HE21 GLN 31 1HE2 GLN 31 -4.282 -9.272 -0.419 255 HE22 GLN 31 2HE2 GLN 31 -2.776 -8.538 -0.001 256 H VAL 32 H VAL 32 1.305 -6.015 -3.279 257 HA VAL 32 HA VAL 32 0.275 -3.740 -4.819 258 HB VAL 32 HB VAL 32 2.123 -4.156 -6.399 259 HG11 VAL 32 1HG1 VAL 32 3.096 -4.184 -3.516 260 HG12 VAL 32 2HG1 VAL 32 2.590 -2.761 -4.427 261 HG13 VAL 32 3HG1 VAL 32 4.032 -3.650 -4.915 262 HG21 VAL 32 1HG2 VAL 32 2.234 -6.640 -6.289 263 HG22 VAL 32 2HG2 VAL 32 2.930 -6.543 -4.671 264 HG23 VAL 32 3HG2 VAL 32 3.823 -5.914 -6.057 265 H THR 33 H THR 33 -1.067 -3.955 -6.586 266 HA THR 33 HA THR 33 -1.565 -6.642 -7.652 267 HB THR 33 HB THR 33 -3.352 -6.253 -6.040 268 HG1 THR 33 1HG THR 33 -4.458 -5.936 -8.639 269 HG21 THR 33 1HG2 THR 33 -4.105 -3.814 -7.683 270 HG22 THR 33 2HG2 THR 33 -3.473 -3.794 -6.034 271 HG23 THR 33 3HG2 THR 33 -5.055 -4.503 -6.366 272 HA PRO 34 HA PRO 34 -1.325 -4.620 -11.676 273 HB2 PRO 34 2HB PRO 34 -2.258 -6.668 -13.225 274 HB3 PRO 34 1HB PRO 34 -0.699 -6.800 -12.378 275 HG2 PRO 34 2HG PRO 34 -3.397 -7.848 -11.513 276 HG3 PRO 34 1HG PRO 34 -1.845 -8.721 -11.621 277 HD2 PRO 34 2HD PRO 34 -2.705 -7.726 -9.281 278 HD3 PRO 34 1HD PRO 34 -0.976 -7.700 -9.706 279 HA PRO 35 HA PRO 35 -5.584 -3.299 -12.773 280 HB2 PRO 35 2HB PRO 35 -5.440 -2.763 -15.437 281 HB3 PRO 35 1HB PRO 35 -4.526 -1.800 -14.255 282 HG2 PRO 35 2HG PRO 35 -3.558 -4.053 -16.001 283 HG3 PRO 35 1HG PRO 35 -2.788 -2.485 -15.664 284 HD2 PRO 35 2HD PRO 35 -2.095 -4.814 -14.370 285 HD3 PRO 35 1HD PRO 35 -1.903 -3.203 -13.647 286 H GLY 36 H GLY 36 -5.711 -5.890 -12.296 287 HA2 GLY 36 1HA GLY 36 -7.759 -7.053 -13.678 288 HA3 GLY 36 2HA GLY 36 -6.298 -7.630 -14.484 289 H ASN 37 H ASN 37 -7.277 -9.697 -13.665 290 HA ASN 37 HA ASN 37 -7.225 -11.547 -12.380 291 HB2 ASN 37 1HB ASN 37 -4.749 -10.174 -11.259 292 HB3 ASN 37 2HB ASN 37 -5.188 -11.826 -10.845 293 HD21 ASN 37 1HD2 ASN 37 -4.188 -13.195 -13.938 294 HD22 ASN 37 2HD2 ASN 37 -5.157 -13.422 -12.528 295 H GLY 38 H GLY 38 -8.847 -9.326 -11.481 296 HA2 GLY 38 1HA GLY 38 -10.476 -9.928 -9.680 297 HA3 GLY 38 2HA GLY 38 -9.111 -9.940 -8.575 298 H CYS 39 H CYS 39 -7.864 -7.585 -9.849 299 HA CYS 39 HA CYS 39 -9.463 -5.525 -8.475 300 HB2 CYS 39 2HB CYS 39 -6.552 -5.464 -9.359 301 HB3 CYS 39 1HB CYS 39 -7.362 -4.243 -8.377 302 HA PRO 40 HA PRO 40 -10.581 -3.694 -12.440 303 HB2 PRO 40 2HB PRO 40 -11.182 -1.116 -11.670 304 HB3 PRO 40 1HB PRO 40 -12.224 -2.500 -11.275 305 HG2 PRO 40 2HG PRO 40 -10.164 -1.144 -9.542 306 HG3 PRO 40 1HG PRO 40 -11.827 -1.636 -9.133 307 HD2 PRO 40 2HD PRO 40 -9.693 -3.156 -8.427 308 HD3 PRO 40 1HD PRO 40 -11.247 -3.893 -8.879 309 H LYS 41 H LYS 41 -8.103 -2.164 -10.450 310 HA LYS 41 HA LYS 41 -6.665 -1.169 -12.806 311 HB2 LYS 41 1HB LYS 41 -6.412 1.093 -11.833 312 HB3 LYS 41 2HB LYS 41 -8.107 0.726 -12.138 313 HG2 LYS 41 1HG LYS 41 -8.438 0.215 -9.746 314 HG3 LYS 41 2HG LYS 41 -6.733 0.560 -9.439 315 HD2 LYS 41 1HD LYS 41 -7.129 2.908 -10.238 316 HD3 LYS 41 2HD LYS 41 -8.852 2.529 -10.367 317 HE2 LYS 41 1HE LYS 41 -7.186 2.466 -7.817 318 HE3 LYS 41 2HE LYS 41 -8.367 3.699 -8.258 319 HZ1 LYS 41 1HZ LYS 41 -8.981 0.828 -7.766 320 HZ2 LYS 41 2HZ LYS 41 -10.106 2.032 -8.142 321 HZ3 LYS 41 3HZ LYS 41 -9.259 2.096 -6.681 322 H THR 42 H THR 42 -4.486 -0.253 -12.083 323 HA THR 42 HA THR 42 -3.081 -2.044 -10.386 324 HB THR 42 HB THR 42 -2.174 0.702 -11.381 325 HG1 THR 42 1HG THR 42 -1.564 -1.779 -12.607 326 HG21 THR 42 1HG2 THR 42 0.111 -0.237 -11.162 327 HG22 THR 42 2HG2 THR 42 -0.556 -1.731 -10.503 328 HG23 THR 42 3HG2 THR 42 -0.712 -0.219 -9.602 329 H GLU 43 H GLU 43 -3.141 -2.034 -8.206 330 HA GLU 43 HA GLU 43 -3.527 0.526 -6.714 331 HB2 GLU 43 1HB GLU 43 -5.090 -2.058 -6.171 332 HB3 GLU 43 2HB GLU 43 -5.158 -0.605 -5.177 333 HG2 GLU 43 1HG GLU 43 -6.224 0.639 -6.925 334 HG3 GLU 43 2HG GLU 43 -5.950 -0.645 -8.099 335 H VAL 44 H VAL 44 -2.735 0.478 -4.576 336 HA VAL 44 HA VAL 44 -1.183 -1.903 -3.736 337 HB VAL 44 HB VAL 44 -0.287 1.006 -3.377 338 HG11 VAL 44 1HG1 VAL 44 1.026 -1.587 -2.465 339 HG12 VAL 44 2HG1 VAL 44 0.346 -0.330 -1.429 340 HG13 VAL 44 3HG1 VAL 44 1.786 0.003 -2.387 341 HG21 VAL 44 1HG2 VAL 44 1.654 0.343 -4.839 342 HG22 VAL 44 2HG2 VAL 44 0.109 0.295 -5.681 343 HG23 VAL 44 3HG2 VAL 44 0.860 -1.204 -5.135 344 H VAL 45 H VAL 45 -2.385 -2.673 -2.149 345 HA VAL 45 HA VAL 45 -4.013 -0.920 -0.441 346 HB VAL 45 HB VAL 45 -4.028 -3.972 -0.655 347 HG11 VAL 45 1HG1 VAL 45 -6.019 -2.081 0.658 348 HG12 VAL 45 2HG1 VAL 45 -4.916 -3.176 1.499 349 HG13 VAL 45 3HG1 VAL 45 -6.216 -3.832 0.503 350 HG21 VAL 45 1HG2 VAL 45 -4.714 -2.985 -2.812 351 HG22 VAL 45 2HG2 VAL 45 -5.896 -1.964 -1.989 352 HG23 VAL 45 3HG2 VAL 45 -6.101 -3.718 -2.005 353 H ILE 46 H ILE 46 -2.956 -0.217 1.297 354 HA ILE 46 HA ILE 46 -0.965 -1.859 2.707 355 HB ILE 46 HB ILE 46 -1.665 1.104 2.945 356 HG12 ILE 46 1HG1 ILE 46 0.775 -0.326 1.783 357 HG13 ILE 46 2HG1 ILE 46 -0.414 0.626 0.900 358 HG21 ILE 46 1HG2 ILE 46 0.226 1.319 4.520 359 HG22 ILE 46 2HG2 ILE 46 0.477 -0.428 4.478 360 HG23 ILE 46 3HG2 ILE 46 -1.009 0.240 5.161 361 HD11 ILE 46 1HD1 ILE 46 1.558 1.691 2.927 362 HD12 ILE 46 2HD1 ILE 46 0.354 2.646 2.053 363 HD13 ILE 46 3HD1 ILE 46 1.649 1.844 1.175 364 H TRP 47 H TRP 47 -1.805 -3.115 4.309 365 HA TRP 47 HA TRP 47 -3.996 -2.160 6.023 366 HB2 TRP 47 2HB TRP 47 -2.400 -4.765 6.059 367 HB3 TRP 47 1HB TRP 47 -3.665 -4.368 7.221 368 HD1 TRP 47 1HD TRP 47 -6.201 -4.494 6.378 369 HE1 TRP 47 1HE TRP 47 -7.278 -5.612 4.320 370 HE3 TRP 47 3HE TRP 47 -2.002 -5.259 3.585 371 HZ2 TRP 47 2HZ TRP 47 -6.458 -6.661 1.845 372 HZ3 TRP 47 3HZ TRP 47 -2.227 -6.323 1.391 373 HH2 TRP 47 2HH TRP 47 -4.412 -7.012 0.532 374 H THR 48 H THR 48 -3.671 -1.362 8.043 375 HA THR 48 HA THR 48 -0.887 -0.919 8.932 376 HB THR 48 HB THR 48 -1.952 0.725 10.515 377 HG1 THR 48 1HG THR 48 -4.292 1.109 9.399 378 HG21 THR 48 1HG2 THR 48 -2.476 2.415 8.801 379 HG22 THR 48 2HG2 THR 48 -2.629 1.155 7.576 380 HG23 THR 48 3HG2 THR 48 -1.060 1.476 8.325 381 H LYS 49 H LYS 49 -0.640 -0.898 11.415 382 HA LYS 49 HA LYS 49 -1.177 -3.493 12.479 383 HB2 LYS 49 1HB LYS 49 -0.002 -0.991 13.757 384 HB3 LYS 49 2HB LYS 49 -0.108 -2.546 14.582 385 HG2 LYS 49 1HG LYS 49 1.352 -3.566 12.894 386 HG3 LYS 49 2HG LYS 49 1.439 -2.033 12.017 387 HD2 LYS 49 1HD LYS 49 2.593 -0.982 13.902 388 HD3 LYS 49 2HD LYS 49 2.413 -2.446 14.874 389 HE2 LYS 49 1HE LYS 49 3.917 -3.664 13.404 390 HE3 LYS 49 2HE LYS 49 3.981 -2.311 12.275 391 HZ1 LYS 49 1HZ LYS 49 5.945 -2.414 13.675 392 HZ2 LYS 49 2HZ LYS 49 4.994 -2.261 15.069 393 HZ3 LYS 49 3HZ LYS 49 5.079 -0.987 13.954 394 H MET 50 H MET 50 -2.793 -0.405 12.694 395 HA MET 50 HA MET 50 -4.640 -1.122 14.786 396 HB2 MET 50 1HB MET 50 -4.740 1.071 12.673 397 HB3 MET 50 2HB MET 50 -5.933 0.891 13.956 398 HG2 MET 50 1HG MET 50 -4.411 2.602 14.621 399 HG3 MET 50 2HG MET 50 -4.081 1.189 15.619 400 HE1 MET 50 1HE MET 50 -1.399 2.622 12.143 401 HE2 MET 50 2HE MET 50 -2.738 3.568 12.787 402 HE3 MET 50 3HE MET 50 -3.056 2.073 11.906 403 H LYS 51 H LYS 51 -4.239 -2.248 11.692 404 HA LYS 51 HA LYS 51 -5.260 -3.811 10.492 405 HB2 LYS 51 1HB LYS 51 -7.515 -3.710 12.536 406 HB3 LYS 51 2HB LYS 51 -7.387 -4.902 11.246 407 HG2 LYS 51 1HG LYS 51 -5.414 -4.551 13.540 408 HG3 LYS 51 2HG LYS 51 -6.648 -5.811 13.418 409 HD2 LYS 51 1HD LYS 51 -4.313 -5.445 11.486 410 HD3 LYS 51 2HD LYS 51 -4.374 -6.622 12.797 411 HE2 LYS 51 1HE LYS 51 -6.322 -7.723 11.701 412 HE3 LYS 51 2HE LYS 51 -6.234 -6.547 10.388 413 HZ1 LYS 51 1HZ LYS 51 -4.063 -7.367 9.806 414 HZ2 LYS 51 2HZ LYS 51 -5.161 -8.651 9.827 415 HZ3 LYS 51 3HZ LYS 51 -4.067 -8.455 11.103 416 H LYS 52 H LYS 52 -5.915 -0.771 10.374 417 HA LYS 52 HA LYS 52 -8.403 -0.677 8.903 418 HB2 LYS 52 1HB LYS 52 -6.249 1.368 9.508 419 HB3 LYS 52 2HB LYS 52 -7.426 1.708 8.250 420 HG2 LYS 52 1HG LYS 52 -8.199 2.748 10.255 421 HG3 LYS 52 2HG LYS 52 -9.253 1.375 9.907 422 HD2 LYS 52 1HD LYS 52 -7.933 0.029 11.592 423 HD3 LYS 52 2HD LYS 52 -7.052 1.506 12.001 424 HE2 LYS 52 1HE LYS 52 -10.041 1.047 12.317 425 HE3 LYS 52 2HE LYS 52 -8.849 1.111 13.615 426 HZ1 LYS 52 1HZ LYS 52 -8.405 3.429 13.002 427 HZ2 LYS 52 2HZ LYS 52 -10.018 3.192 13.449 428 HZ3 LYS 52 3HZ LYS 52 -9.606 3.351 11.818 429 H VAL 53 H VAL 53 -8.717 -0.777 6.791 430 HA VAL 53 HA VAL 53 -6.587 -1.575 4.971 431 HB VAL 53 HB VAL 53 -9.570 -1.123 4.408 432 HG11 VAL 53 1HG1 VAL 53 -7.484 -2.597 2.753 433 HG12 VAL 53 2HG1 VAL 53 -8.209 -1.040 2.353 434 HG13 VAL 53 3HG1 VAL 53 -9.206 -2.494 2.374 435 HG21 VAL 53 1HG2 VAL 53 -8.162 -3.746 5.019 436 HG22 VAL 53 2HG2 VAL 53 -9.862 -3.557 4.595 437 HG23 VAL 53 3HG2 VAL 53 -9.252 -2.890 6.110 438 H ILE 54 H ILE 54 -5.339 0.210 4.508 439 HA ILE 54 HA ILE 54 -6.594 2.653 3.437 440 HB ILE 54 HB ILE 54 -3.627 2.099 3.979 441 HG12 ILE 54 1HG1 ILE 54 -5.695 3.644 5.618 442 HG13 ILE 54 2HG1 ILE 54 -4.863 2.170 6.099 443 HG21 ILE 54 1HG2 ILE 54 -3.275 4.509 3.589 444 HG22 ILE 54 2HG2 ILE 54 -4.999 4.734 3.283 445 HG23 ILE 54 3HG2 ILE 54 -4.022 3.775 2.171 446 HD11 ILE 54 1HD1 ILE 54 -3.651 4.914 5.771 447 HD12 ILE 54 2HD1 ILE 54 -2.734 3.444 6.118 448 HD13 ILE 54 3HD1 ILE 54 -3.935 4.027 7.267 449 H CYS 55 H CYS 55 -6.543 3.083 1.286 450 HA CYS 55 HA CYS 55 -5.041 1.325 -0.571 451 HB2 CYS 55 2HB CYS 55 -7.478 3.115 -0.972 452 HB3 CYS 55 1HB CYS 55 -6.601 2.370 -2.305 453 H VAL 56 H VAL 56 -3.385 2.280 -1.734 454 HA VAL 56 HA VAL 56 -3.117 5.231 -1.668 455 HB VAL 56 HB VAL 56 -0.647 5.037 -1.429 456 HG11 VAL 56 1HG1 VAL 56 -1.915 5.526 0.584 457 HG12 VAL 56 2HG1 VAL 56 -0.573 4.454 0.992 458 HG13 VAL 56 3HG1 VAL 56 -2.210 3.806 0.868 459 HG21 VAL 56 1HG2 VAL 56 -0.360 2.726 -2.286 460 HG22 VAL 56 2HG2 VAL 56 -1.108 2.092 -0.818 461 HG23 VAL 56 3HG2 VAL 56 0.427 2.955 -0.724 462 H ASN 57 H ASN 57 -1.977 6.127 -3.387 463 HA ASN 57 HA ASN 57 -2.448 4.873 -5.919 464 HB2 ASN 57 1HB ASN 57 -1.565 7.013 -6.878 465 HB3 ASN 57 2HB ASN 57 -2.848 7.274 -5.704 466 HD21 ASN 57 1HD2 ASN 57 0.152 9.567 -5.209 467 HD22 ASN 57 2HD2 ASN 57 -0.660 9.057 -6.636 468 HA PRO 58 HA PRO 58 1.693 3.061 -6.371 469 HB2 PRO 58 2HB PRO 58 1.629 2.537 -9.084 470 HB3 PRO 58 1HB PRO 58 0.747 1.553 -7.894 471 HG2 PRO 58 2HG PRO 58 -0.294 3.794 -9.619 472 HG3 PRO 58 1HG PRO 58 -1.011 2.195 -9.300 473 HD2 PRO 58 2HD PRO 58 -1.868 4.394 -7.987 474 HD3 PRO 58 1HD PRO 58 -1.802 2.812 -7.184 475 H ARG 59 H ARG 59 0.692 6.068 -7.612 476 HA ARG 59 HA ARG 59 3.187 6.738 -8.975 477 HB2 ARG 59 1HB ARG 59 0.600 8.235 -8.494 478 HB3 ARG 59 2HB ARG 59 2.026 9.102 -9.030 479 HG2 ARG 59 1HG ARG 59 0.643 8.611 -10.939 480 HG3 ARG 59 2HG ARG 59 2.128 7.669 -11.052 481 HD2 ARG 59 1HD ARG 59 0.895 5.672 -10.226 482 HD3 ARG 59 2HD ARG 59 -0.582 6.641 -10.157 483 HE ARG 59 HE ARG 59 0.680 6.625 -12.750 484 HH11 ARG 59 1HH1 ARG 59 -1.598 4.911 -10.684 485 HH12 ARG 59 2HH1 ARG 59 -2.407 4.150 -12.013 486 HH21 ARG 59 1HH2 ARG 59 -0.387 5.625 -14.467 487 HH22 ARG 59 2HH2 ARG 59 -1.719 4.557 -14.161 488 H ALA 60 H ALA 60 1.985 6.837 -5.759 489 HA ALA 60 HA ALA 60 2.924 9.224 -4.703 490 HB1 ALA 60 1HB ALA 60 2.735 6.522 -3.336 491 HB2 ALA 60 2HB ALA 60 1.457 7.728 -3.463 492 HB3 ALA 60 3HB ALA 60 2.895 8.069 -2.503 493 H LYS 61 H LYS 61 4.874 10.067 -4.426 494 HA LYS 61 HA LYS 61 7.282 8.926 -5.299 495 HB2 LYS 61 1HB LYS 61 6.825 11.341 -3.488 496 HB3 LYS 61 2HB LYS 61 8.364 10.956 -4.246 497 HG2 LYS 61 1HG LYS 61 5.981 11.270 -6.056 498 HG3 LYS 61 2HG LYS 61 6.614 12.727 -5.298 499 HD2 LYS 61 1HD LYS 61 8.288 10.810 -6.989 500 HD3 LYS 61 2HD LYS 61 7.540 12.291 -7.594 501 HE2 LYS 61 1HE LYS 61 8.872 13.615 -5.975 502 HE3 LYS 61 2HE LYS 61 9.631 12.137 -5.385 503 HZ1 LYS 61 1HZ LYS 61 11.023 13.305 -6.957 504 HZ2 LYS 61 2HZ LYS 61 9.832 13.187 -8.149 505 HZ3 LYS 61 3HZ LYS 61 10.577 11.789 -7.563 506 H TRP 62 H TRP 62 6.076 9.510 -1.982 507 HA TRP 62 HA TRP 62 8.294 8.584 -0.531 508 HB2 TRP 62 2HB TRP 62 6.822 8.456 1.419 509 HB3 TRP 62 1HB TRP 62 6.418 9.895 0.496 510 HD1 TRP 62 1HD TRP 62 4.029 9.831 -0.854 511 HE1 TRP 62 1HE TRP 62 1.878 8.513 -0.432 512 HE3 TRP 62 3HE TRP 62 5.875 6.259 2.299 513 HZ2 TRP 62 2HZ TRP 62 1.055 6.278 1.021 514 HZ3 TRP 62 3HZ TRP 62 4.316 4.565 3.165 515 HH2 TRP 62 2HH TRP 62 1.960 4.563 2.530 516 H LEU 63 H LEU 63 5.587 6.889 -1.960 517 HA LEU 63 HA LEU 63 5.807 4.411 -0.608 518 HB2 LEU 63 1HB LEU 63 3.742 5.237 -1.669 519 HB3 LEU 63 2HB LEU 63 4.508 5.153 -3.246 520 HG LEU 63 HG LEU 63 4.676 2.634 -2.945 521 HD11 LEU 63 1HD1 LEU 63 3.212 1.564 -1.270 522 HD12 LEU 63 2HD1 LEU 63 2.917 3.146 -0.540 523 HD13 LEU 63 3HD1 LEU 63 4.540 2.458 -0.539 524 HD21 LEU 63 1HD2 LEU 63 1.917 3.875 -2.966 525 HD22 LEU 63 2HD2 LEU 63 2.290 2.222 -3.442 526 HD23 LEU 63 3HD2 LEU 63 2.960 3.564 -4.356 527 H GLN 64 H GLN 64 7.322 5.732 -3.501 528 HA GLN 64 HA GLN 64 7.980 3.352 -4.855 529 HB2 GLN 64 1HB GLN 64 9.312 6.085 -4.919 530 HB3 GLN 64 2HB GLN 64 9.718 4.781 -6.039 531 HG2 GLN 64 1HG GLN 64 6.972 6.038 -5.729 532 HG3 GLN 64 2HG GLN 64 8.126 6.407 -7.013 533 HE21 GLN 64 1HE2 GLN 64 5.548 3.642 -7.831 534 HE22 GLN 64 2HE2 GLN 64 5.368 5.031 -6.829 535 H ARG 65 H ARG 65 9.863 5.205 -2.453 536 HA ARG 65 HA ARG 65 12.171 3.553 -2.506 537 HB2 ARG 65 1HB ARG 65 11.105 5.454 -0.388 538 HB3 ARG 65 2HB ARG 65 12.580 4.520 -0.140 539 HG2 ARG 65 1HG ARG 65 13.509 5.571 -2.239 540 HG3 ARG 65 2HG ARG 65 12.087 6.619 -2.275 541 HD2 ARG 65 1HD ARG 65 14.152 6.471 -0.046 542 HD3 ARG 65 2HD ARG 65 14.001 7.764 -1.243 543 HE ARG 65 HE ARG 65 11.550 7.468 0.121 544 HH11 ARG 65 1HH1 ARG 65 14.796 8.671 0.741 545 HH12 ARG 65 2HH1 ARG 65 14.266 9.782 1.954 546 HH21 ARG 65 1HH2 ARG 65 10.887 8.917 1.711 547 HH22 ARG 65 2HH2 ARG 65 12.051 9.922 2.505 548 H LEU 66 H LEU 66 9.066 3.184 -0.909 549 HA LEU 66 HA LEU 66 9.872 1.031 0.834 550 HB2 LEU 66 1HB LEU 66 7.181 2.096 -0.054 551 HB3 LEU 66 2HB LEU 66 7.288 0.587 0.832 552 HG LEU 66 HG LEU 66 8.346 1.785 2.745 553 HD11 LEU 66 1HD1 LEU 66 9.380 3.674 1.594 554 HD12 LEU 66 2HD1 LEU 66 8.315 4.231 2.881 555 HD13 LEU 66 3HD1 LEU 66 7.789 4.330 1.199 556 HD21 LEU 66 1HD2 LEU 66 5.666 2.888 1.874 557 HD22 LEU 66 2HD2 LEU 66 6.308 2.909 3.521 558 HD23 LEU 66 3HD2 LEU 66 5.953 1.378 2.736 559 H LEU 67 H LEU 67 8.288 1.290 -2.356 560 HA LEU 67 HA LEU 67 7.774 -1.437 -2.813 561 HB2 LEU 67 1HB LEU 67 8.235 0.826 -4.812 562 HB3 LEU 67 2HB LEU 67 7.624 -0.769 -5.249 563 HG LEU 67 HG LEU 67 6.222 1.241 -3.441 564 HD11 LEU 67 1HD1 LEU 67 6.205 1.972 -5.762 565 HD12 LEU 67 2HD1 LEU 67 4.594 1.484 -5.247 566 HD13 LEU 67 3HD1 LEU 67 5.550 0.412 -6.275 567 HD21 LEU 67 1HD2 LEU 67 5.272 -1.487 -4.377 568 HD22 LEU 67 2HD2 LEU 67 4.268 -0.283 -3.563 569 HD23 LEU 67 3HD2 LEU 67 5.633 -0.998 -2.718 570 H ARG 68 H ARG 68 10.676 0.481 -3.233 571 HA ARG 68 HA ARG 68 12.202 -1.623 -4.521 572 HB2 ARG 68 1HB ARG 68 13.134 0.950 -3.177 573 HB3 ARG 68 2HB ARG 68 14.152 -0.114 -4.145 574 HG2 ARG 68 1HG ARG 68 11.777 1.494 -5.145 575 HG3 ARG 68 2HG ARG 68 13.475 1.886 -5.397 576 HD2 ARG 68 1HD ARG 68 12.834 0.914 -7.436 577 HD3 ARG 68 2HD ARG 68 13.615 -0.427 -6.599 578 HE ARG 68 HE ARG 68 10.668 -0.081 -6.626 579 HH11 ARG 68 1HH1 ARG 68 13.466 -2.134 -7.199 580 HH12 ARG 68 2HH1 ARG 68 12.510 -3.540 -7.529 581 HH21 ARG 68 1HH2 ARG 68 9.447 -1.945 -7.037 582 HH22 ARG 68 2HH2 ARG 68 10.243 -3.428 -7.444 583 H HIS 69 H HIS 69 12.108 -0.174 -1.234 584 HA HIS 69 HA HIS 69 14.421 -1.680 -0.401 585 HB2 HIS 69 1HB HIS 69 13.980 0.735 0.234 586 HB3 HIS 69 2HB HIS 69 12.727 0.166 1.325 587 HD1 HIS 69 HD1 HIS 69 13.474 -0.496 3.623 588 HD2 HIS 69 HD2 HIS 69 16.659 -0.177 0.973 589 HE1 HIS 69 HE1 HIS 69 15.539 -0.750 5.016 590 HE2 HIS 69 HE2 HIS 69 17.458 -0.490 3.401 591 H VAL 70 H VAL 70 11.018 -2.300 -0.154 592 HA VAL 70 HA VAL 70 11.076 -3.968 2.169 593 HB VAL 70 HB VAL 70 8.976 -5.051 1.300 594 HG11 VAL 70 1HG1 VAL 70 8.938 -2.015 1.293 595 HG12 VAL 70 2HG1 VAL 70 8.812 -3.060 2.708 596 HG13 VAL 70 3HG1 VAL 70 7.529 -3.060 1.498 597 HG21 VAL 70 1HG2 VAL 70 7.864 -4.211 -0.733 598 HG22 VAL 70 2HG2 VAL 70 9.435 -4.899 -1.146 599 HG23 VAL 70 3HG2 VAL 70 9.229 -3.149 -1.079 600 H GLN 71 H GLN 71 11.871 -4.469 -1.193 601 HA GLN 71 HA GLN 71 12.253 -7.355 -0.940 602 HB2 GLN 71 1HB GLN 71 12.819 -5.457 -3.275 603 HB3 GLN 71 2HB GLN 71 12.891 -7.222 -3.343 604 HG2 GLN 71 1HG GLN 71 10.493 -7.366 -2.883 605 HG3 GLN 71 2HG GLN 71 10.389 -5.615 -2.717 606 HE21 GLN 71 1HE2 GLN 71 10.266 -5.001 -6.166 607 HE22 GLN 71 2HE2 GLN 71 10.507 -4.330 -4.595 608 H SER 72 H SER 72 14.049 -8.064 0.017 609 HA SER 72 HA SER 72 16.134 -8.316 0.853 610 HB2 SER 72 1HB SER 72 16.926 -6.726 -1.626 611 HB3 SER 72 2HB SER 72 18.078 -7.569 -0.582 612 HG SER 72 HG SER 72 15.865 -8.884 -1.753 613 H LYS 73 H LYS 73 14.592 -6.396 1.997 614 HA LYS 73 HA LYS 73 15.422 -3.872 2.475 615 HB2 LYS 73 1HB LYS 73 14.390 -3.994 4.712 616 HB3 LYS 73 2HB LYS 73 13.398 -4.789 3.501 617 HG2 LYS 73 1HG LYS 73 15.207 -6.267 5.450 618 HG3 LYS 73 2HG LYS 73 13.498 -5.944 5.745 619 HD2 LYS 73 1HD LYS 73 12.860 -7.319 3.825 620 HD3 LYS 73 2HD LYS 73 14.552 -7.550 3.377 621 HE2 LYS 73 1HE LYS 73 13.697 -9.538 4.499 622 HE3 LYS 73 2HE LYS 73 14.933 -8.771 5.497 623 HZ1 LYS 73 1HZ LYS 73 13.153 -7.768 6.822 624 HZ2 LYS 73 2HZ LYS 73 13.065 -9.455 6.832 625 HZ3 LYS 73 3HZ LYS 73 11.990 -8.560 5.884 626 H SER 74 H SER 74 17.270 -2.987 2.967 627 HA SER 74 HA SER 74 19.343 -4.355 4.554 628 HB2 SER 74 1HB SER 74 20.787 -2.459 3.674 629 HB3 SER 74 2HB SER 74 20.072 -3.452 2.400 630 HG SER 74 HG SER 74 19.646 -1.436 1.761 631 H LEU 75 H LEU 75 20.396 -3.206 6.286 632 HA LEU 75 HA LEU 75 18.689 -1.604 7.951 633 HB2 LEU 75 1HB LEU 75 21.658 -2.236 8.258 634 HB3 LEU 75 2HB LEU 75 20.619 -1.554 9.503 635 HG LEU 75 HG LEU 75 20.401 -4.368 8.339 636 HD11 LEU 75 1HD1 LEU 75 21.307 -3.472 11.093 637 HD12 LEU 75 2HD1 LEU 75 22.332 -4.129 9.814 638 HD13 LEU 75 3HD1 LEU 75 21.099 -5.145 10.556 639 HD21 LEU 75 1HD2 LEU 75 18.690 -4.771 10.084 640 HD22 LEU 75 2HD2 LEU 75 18.174 -3.563 8.915 641 HD23 LEU 75 3HD2 LEU 75 18.729 -3.057 10.513 642 H SER 76 H SER 76 18.593 0.559 8.043 643 HA SER 76 HA SER 76 20.664 2.278 6.833 644 HB2 SER 76 1HB SER 76 18.846 1.803 5.125 645 HB3 SER 76 2HB SER 76 17.677 2.541 6.219 646 HG SER 76 HG SER 76 19.311 4.410 6.078 647 H SER 77 H SER 77 19.813 1.559 9.556 648 HA SER 77 HA SER 77 19.327 4.219 10.694 649 HB2 SER 77 1HB SER 77 17.054 3.218 10.413 650 HB3 SER 77 2HB SER 77 17.554 1.797 11.325 651 HG SER 77 HG SER 77 16.726 2.960 12.900 652 H THR 78 H THR 78 19.452 4.014 13.172 653 HA THR 78 HA THR 78 21.876 2.853 14.015 654 HB THR 78 HB THR 78 21.031 3.448 16.354 655 HG1 THR 78 1HG THR 78 18.778 3.161 15.904 656 HG21 THR 78 1HG2 THR 78 20.778 5.650 14.269 657 HG22 THR 78 2HG2 THR 78 22.285 5.117 15.021 658 HG23 THR 78 3HG2 THR 78 21.033 5.895 15.996 659 HA PRO 79 HA PRO 79 20.297 -1.330 14.476 660 HB2 PRO 79 2HB PRO 79 22.513 -2.570 15.497 661 HB3 PRO 79 1HB PRO 79 22.428 -2.008 13.812 662 HG2 PRO 79 2HG PRO 79 23.769 -0.712 16.167 663 HG3 PRO 79 1HG PRO 79 24.340 -0.851 14.488 664 HD2 PRO 79 2HD PRO 79 23.160 1.429 15.521 665 HD3 PRO 79 1HD PRO 79 23.142 1.013 13.796 666 H GLN 80 H GLN 80 18.735 -0.670 16.025 667 HA GLN 80 HA GLN 80 19.166 -0.848 18.870 668 HB2 GLN 80 1HB GLN 80 16.773 -0.555 19.086 669 HB3 GLN 80 2HB GLN 80 17.340 0.534 17.829 670 HG2 GLN 80 1HG GLN 80 16.487 -0.998 16.098 671 HG3 GLN 80 2HG GLN 80 15.954 -2.126 17.336 672 HE21 GLN 80 1HE2 GLN 80 13.045 -0.327 18.158 673 HE22 GLN 80 2HE2 GLN 80 14.163 -1.546 18.653 674 H ALA 81 H ALA 81 17.787 -2.433 20.180 675 HA ALA 81 HA ALA 81 18.334 -5.162 19.447 676 HB1 ALA 81 1HB ALA 81 17.251 -5.716 21.614 677 HB2 ALA 81 2HB ALA 81 16.745 -4.033 21.789 678 HB3 ALA 81 3HB ALA 81 18.460 -4.442 21.801 679 HA PRO 82 HA PRO 82 14.163 -5.504 17.481 680 HB2 PRO 82 2HB PRO 82 14.682 -7.568 15.823 681 HB3 PRO 82 1HB PRO 82 15.393 -5.971 15.497 682 HG2 PRO 82 2HG PRO 82 16.674 -8.376 16.779 683 HG3 PRO 82 1HG PRO 82 17.331 -7.289 15.532 684 HD2 PRO 82 2HD PRO 82 17.900 -7.045 18.235 685 HD3 PRO 82 1HD PRO 82 17.989 -5.701 17.081 686 H VAL 83 H VAL 83 12.773 -7.682 17.167 687 HA VAL 83 HA VAL 83 12.663 -9.037 19.750 688 HB VAL 83 HB VAL 83 10.875 -9.452 17.294 689 HG11 VAL 83 1HG1 VAL 83 9.321 -10.591 18.875 690 HG12 VAL 83 2HG1 VAL 83 10.498 -10.391 20.175 691 HG13 VAL 83 3HG1 VAL 83 10.877 -11.424 18.794 692 HG21 VAL 83 1HG2 VAL 83 10.624 -7.156 18.167 693 HG22 VAL 83 2HG2 VAL 83 10.380 -7.782 19.798 694 HG23 VAL 83 3HG2 VAL 83 9.184 -8.106 18.541 695 H SER 84 H SER 84 14.489 -10.228 19.831 696 HA SER 84 HA SER 84 15.652 -11.637 17.659 697 HB2 SER 84 1HB SER 84 16.987 -10.668 19.505 698 HB3 SER 84 2HB SER 84 16.280 -11.817 20.639 699 HG SER 84 HG SER 84 17.692 -13.222 19.991 700 H LYS 85 H LYS 85 14.086 -13.035 16.901 701 HA LYS 85 HA LYS 85 13.395 -15.440 18.488 702 HB2 LYS 85 1HB LYS 85 12.295 -14.299 15.881 703 HB3 LYS 85 2HB LYS 85 11.795 -15.847 16.560 704 HG2 LYS 85 1HG LYS 85 10.910 -14.706 18.556 705 HG3 LYS 85 2HG LYS 85 11.445 -13.147 17.922 706 HD2 LYS 85 1HD LYS 85 9.493 -14.906 16.387 707 HD3 LYS 85 2HD LYS 85 8.940 -13.800 17.644 708 HE2 LYS 85 1HE LYS 85 8.693 -12.732 15.476 709 HE3 LYS 85 2HE LYS 85 9.956 -11.901 16.378 710 HZ1 LYS 85 1HZ LYS 85 10.483 -12.286 14.017 711 HZ2 LYS 85 2HZ LYS 85 10.470 -13.952 14.299 712 HZ3 LYS 85 3HZ LYS 85 11.615 -12.977 15.070 713 H ARG 86 H ARG 86 13.070 -17.222 16.322 714 HA ARG 86 HA ARG 86 15.745 -18.019 15.769 715 HB2 ARG 86 1HB ARG 86 13.721 -19.567 15.974 716 HB3 ARG 86 2HB ARG 86 13.246 -19.046 14.359 717 HG2 ARG 86 1HG ARG 86 15.411 -19.900 13.472 718 HG3 ARG 86 2HG ARG 86 15.844 -20.446 15.093 719 HD2 ARG 86 1HD ARG 86 15.046 -22.348 13.888 720 HD3 ARG 86 2HD ARG 86 13.791 -21.915 15.049 721 HE ARG 86 HE ARG 86 13.176 -20.610 12.667 722 HH11 ARG 86 1HH1 ARG 86 13.428 -23.951 13.766 723 HH12 ARG 86 2HH1 ARG 86 12.270 -24.535 12.618 724 HH21 ARG 86 1HH2 ARG 86 11.703 -21.414 11.137 725 HH22 ARG 86 2HH2 ARG 86 11.296 -23.101 11.130 726 H ARG 87 H ARG 87 16.989 -17.017 14.397 727 HA ARG 87 HA ARG 87 16.233 -15.173 12.373 728 HB2 ARG 87 1HB ARG 87 18.911 -16.522 12.941 729 HB3 ARG 87 2HB ARG 87 18.681 -15.126 11.890 730 HG2 ARG 87 1HG ARG 87 17.974 -13.756 13.784 731 HG3 ARG 87 2HG ARG 87 18.064 -15.149 14.865 732 HD2 ARG 87 1HD ARG 87 20.039 -13.648 15.069 733 HD3 ARG 87 2HD ARG 87 20.478 -15.283 14.566 734 HE ARG 87 HE ARG 87 20.171 -13.867 12.222 735 HH11 ARG 87 1HH1 ARG 87 22.242 -13.536 15.042 736 HH12 ARG 87 2HH1 ARG 87 23.526 -12.796 14.149 737 HH21 ARG 87 1HH2 ARG 87 21.891 -12.934 11.068 738 HH22 ARG 87 2HH2 ARG 87 23.331 -12.457 11.907 739 H ALA 88 H ALA 88 16.362 -15.341 10.136 740 HA ALA 88 HA ALA 88 15.889 -17.953 8.960 741 HB1 ALA 88 1HB ALA 88 15.921 -15.192 7.675 742 HB2 ALA 88 2HB ALA 88 14.499 -16.016 8.315 743 HB3 ALA 88 3HB ALA 88 15.343 -16.681 6.916 744 H ALA 89 H ALA 89 17.085 -18.876 7.258 745 HA ALA 89 HA ALA 89 19.722 -17.785 6.536 746 HB1 ALA 89 1HB ALA 89 19.334 -20.607 7.624 747 HB2 ALA 89 2HB ALA 89 20.146 -19.283 8.464 748 HB3 ALA 89 3HB ALA 89 20.840 -19.942 6.980 Start of MODEL 9 1 H1 MET 1 1H MET 1 7.629 -3.861 7.468 2 H2 MET 1 2H MET 1 8.440 -4.634 6.205 3 H3 MET 1 3H MET 1 7.478 -5.528 7.267 4 HA MET 1 HA MET 1 5.511 -4.408 6.508 5 HB2 MET 1 1HB MET 1 7.322 -3.102 4.424 6 HB3 MET 1 2HB MET 1 5.580 -2.891 4.577 7 HG2 MET 1 1HG MET 1 6.641 -0.928 5.436 8 HG3 MET 1 2HG MET 1 5.986 -1.809 6.817 9 HE1 MET 1 1HE MET 1 7.599 -0.193 8.360 10 HE2 MET 1 2HE MET 1 8.283 0.554 6.914 11 HE3 MET 1 3HE MET 1 9.348 -0.116 8.148 12 H ILE 2 H ILE 2 4.755 -6.357 5.885 13 HA ILE 2 HA ILE 2 6.177 -8.201 4.232 14 HB ILE 2 HB ILE 2 3.242 -8.280 5.118 15 HG12 ILE 2 1HG1 ILE 2 4.154 -10.225 6.624 16 HG13 ILE 2 2HG1 ILE 2 5.745 -9.548 6.309 17 HG21 ILE 2 1HG2 ILE 2 4.846 -10.511 3.814 18 HG22 ILE 2 2HG2 ILE 2 3.516 -9.619 3.077 19 HG23 ILE 2 3HG2 ILE 2 3.207 -10.665 4.461 20 HD11 ILE 2 1HD1 ILE 2 5.050 -7.454 7.364 21 HD12 ILE 2 2HD1 ILE 2 4.853 -8.831 8.448 22 HD13 ILE 2 3HD1 ILE 2 3.444 -8.130 7.650 23 H LEU 3 H LEU 3 6.544 -7.621 2.107 24 HA LEU 3 HA LEU 3 4.525 -6.308 0.498 25 HB2 LEU 3 1HB LEU 3 6.922 -5.793 0.069 26 HB3 LEU 3 2HB LEU 3 7.212 -7.471 -0.356 27 HG LEU 3 HG LEU 3 5.515 -7.149 -2.280 28 HD11 LEU 3 1HD1 LEU 3 5.890 -4.218 -1.620 29 HD12 LEU 3 2HD1 LEU 3 4.387 -5.140 -1.543 30 HD13 LEU 3 3HD1 LEU 3 5.158 -4.853 -3.096 31 HD21 LEU 3 1HD2 LEU 3 8.068 -5.529 -2.439 32 HD22 LEU 3 2HD2 LEU 3 7.141 -6.168 -3.801 33 HD23 LEU 3 3HD2 LEU 3 7.929 -7.273 -2.677 34 H GLU 4 H GLU 4 2.892 -7.406 -0.373 35 HA GLU 4 HA GLU 4 3.127 -10.273 -1.008 36 HB2 GLU 4 1HB GLU 4 0.598 -8.590 -0.702 37 HB3 GLU 4 2HB GLU 4 0.672 -10.332 -0.958 38 HG2 GLU 4 1HG GLU 4 1.896 -10.493 1.259 39 HG3 GLU 4 2HG GLU 4 1.505 -8.786 1.514 40 H ALA 5 H ALA 5 2.582 -11.009 -2.993 41 HA ALA 5 HA ALA 5 2.181 -9.179 -5.249 42 HB1 ALA 5 1HB ALA 5 2.587 -12.198 -5.132 43 HB2 ALA 5 2HB ALA 5 3.833 -11.005 -5.501 44 HB3 ALA 5 3HB ALA 5 2.483 -11.243 -6.612 45 H HIS 6 H HIS 6 0.210 -9.163 -6.412 46 HA HIS 6 HA HIS 6 -2.125 -10.164 -5.021 47 HB2 HIS 6 1HB HIS 6 -2.105 -7.908 -6.146 48 HB3 HIS 6 2HB HIS 6 -2.012 -8.720 -7.710 49 HD1 HIS 6 HD1 HIS 6 -4.298 -8.179 -4.801 50 HD2 HIS 6 HD2 HIS 6 -4.452 -9.788 -8.622 51 HE1 HIS 6 HE1 HIS 6 -6.694 -8.758 -5.191 52 HE2 HIS 6 HE2 HIS 6 -6.765 -9.790 -7.479 53 H TYR 7 H TYR 7 -3.408 -11.859 -5.623 54 HA TYR 7 HA TYR 7 -2.595 -13.553 -7.922 55 HB2 TYR 7 2HB TYR 7 -3.896 -14.412 -5.295 56 HB3 TYR 7 1HB TYR 7 -3.398 -15.485 -6.603 57 HD1 TYR 7 1HD TYR 7 -0.855 -15.408 -7.264 58 HD2 TYR 7 2HD TYR 7 -2.360 -13.990 -3.519 59 HE1 TYR 7 1HE TYR 7 1.391 -15.581 -6.294 60 HE2 TYR 7 2HE TYR 7 -0.106 -14.170 -2.546 61 HH TYR 7 HH TYR 7 2.679 -14.587 -4.443 62 H THR 8 H THR 8 -4.332 -14.759 -8.936 63 HA THR 8 HA THR 8 -6.402 -13.095 -9.832 64 HB THR 8 HB THR 8 -6.193 -16.125 -10.160 65 HG1 THR 8 1HG THR 8 -4.393 -15.559 -11.148 66 HG21 THR 8 1HG2 THR 8 -8.382 -15.206 -10.895 67 HG22 THR 8 2HG2 THR 8 -7.428 -15.778 -12.263 68 HG23 THR 8 3HG2 THR 8 -7.543 -14.049 -11.935 69 H ASN 9 H ASN 9 -6.438 -15.823 -7.521 70 HA ASN 9 HA ASN 9 -9.299 -15.566 -6.987 71 HB2 ASN 9 1HB ASN 9 -8.124 -17.813 -7.018 72 HB3 ASN 9 2HB ASN 9 -7.254 -17.344 -5.564 73 HD21 ASN 9 1HD2 ASN 9 -9.957 -17.977 -3.390 74 HD22 ASN 9 2HD2 ASN 9 -8.407 -17.239 -3.582 75 H LEU 10 H LEU 10 -8.831 -13.257 -6.498 76 HA LEU 10 HA LEU 10 -9.067 -12.689 -3.731 77 HB2 LEU 10 1HB LEU 10 -6.463 -13.000 -4.170 78 HB3 LEU 10 2HB LEU 10 -6.566 -11.423 -4.921 79 HG LEU 10 HG LEU 10 -7.289 -11.983 -2.007 80 HD11 LEU 10 1HD1 LEU 10 -5.142 -10.950 -1.408 81 HD12 LEU 10 2HD1 LEU 10 -4.716 -10.815 -3.118 82 HD13 LEU 10 3HD1 LEU 10 -4.908 -12.405 -2.375 83 HD21 LEU 10 1HD2 LEU 10 -8.404 -9.967 -2.894 84 HD22 LEU 10 2HD2 LEU 10 -6.843 -9.318 -3.397 85 HD23 LEU 10 3HD2 LEU 10 -7.196 -9.553 -1.682 86 H LYS 11 H LYS 11 -10.900 -11.668 -4.395 87 HA LYS 11 HA LYS 11 -11.117 -9.709 -6.447 88 HB2 LYS 11 1HB LYS 11 -13.346 -9.252 -5.548 89 HB3 LYS 11 2HB LYS 11 -13.062 -10.984 -5.557 90 HG2 LYS 11 1HG LYS 11 -12.516 -10.798 -3.067 91 HG3 LYS 11 2HG LYS 11 -13.074 -9.131 -3.154 92 HD2 LYS 11 1HD LYS 11 -15.322 -9.924 -3.852 93 HD3 LYS 11 2HD LYS 11 -14.753 -11.597 -3.789 94 HE2 LYS 11 1HE LYS 11 -14.296 -11.316 -1.357 95 HE3 LYS 11 2HE LYS 11 -14.946 -9.676 -1.441 96 HZ1 LYS 11 1HZ LYS 11 -16.576 -11.286 -0.634 97 HZ2 LYS 11 2HZ LYS 11 -16.463 -12.150 -2.087 98 HZ3 LYS 11 3HZ LYS 11 -17.075 -10.576 -2.084 99 H CYS 12 H CYS 12 -10.822 -7.475 -6.404 100 HA CYS 12 HA CYS 12 -9.770 -6.278 -3.908 101 HB2 CYS 12 2HB CYS 12 -9.636 -5.299 -6.778 102 HB3 CYS 12 1HB CYS 12 -8.944 -4.460 -5.388 103 H ARG 13 H ARG 13 -11.491 -5.635 -2.733 104 HA ARG 13 HA ARG 13 -13.397 -3.726 -3.965 105 HB2 ARG 13 1HB ARG 13 -13.881 -5.382 -1.452 106 HB3 ARG 13 2HB ARG 13 -15.030 -4.317 -2.260 107 HG2 ARG 13 1HG ARG 13 -14.815 -5.887 -4.296 108 HG3 ARG 13 2HG ARG 13 -13.976 -6.996 -3.207 109 HD2 ARG 13 1HD ARG 13 -16.829 -5.989 -2.948 110 HD3 ARG 13 2HD ARG 13 -16.309 -7.628 -3.349 111 HE ARG 13 HE ARG 13 -15.173 -7.251 -0.938 112 HH11 ARG 13 1HH1 ARG 13 -18.490 -6.749 -2.015 113 HH12 ARG 13 2HH1 ARG 13 -19.172 -7.081 -0.459 114 HH21 ARG 13 1HH2 ARG 13 -16.101 -7.672 1.108 115 HH22 ARG 13 2HH2 ARG 13 -17.821 -7.606 1.300 116 H CYS 14 H CYS 14 -12.020 -1.978 -3.676 117 HA CYS 14 HA CYS 14 -11.968 -0.892 -0.923 118 HB2 CYS 14 2HB CYS 14 -9.673 -1.772 -1.554 119 HB3 CYS 14 1HB CYS 14 -9.639 -0.608 -2.874 120 H SER 15 H SER 15 -11.850 1.517 -0.923 121 HA SER 15 HA SER 15 -13.839 2.586 -2.656 122 HB2 SER 15 1HB SER 15 -12.026 3.989 -0.649 123 HB3 SER 15 2HB SER 15 -13.464 4.703 -1.387 124 HG SER 15 HG SER 15 -13.262 2.926 0.682 125 H GLY 16 H GLY 16 -10.368 2.616 -2.783 126 HA2 GLY 16 1HA GLY 16 -9.736 3.144 -5.270 127 HA3 GLY 16 2HA GLY 16 -10.253 4.766 -4.801 128 H VAL 17 H VAL 17 -8.110 5.546 -5.159 129 HA VAL 17 HA VAL 17 -5.995 4.531 -3.342 130 HB VAL 17 HB VAL 17 -4.360 5.654 -4.884 131 HG11 VAL 17 1HG1 VAL 17 -4.544 4.004 -6.734 132 HG12 VAL 17 2HG1 VAL 17 -6.199 3.639 -6.240 133 HG13 VAL 17 3HG1 VAL 17 -4.855 3.263 -5.161 134 HG21 VAL 17 1HG2 VAL 17 -5.837 7.402 -5.828 135 HG22 VAL 17 2HG2 VAL 17 -6.760 6.170 -6.686 136 HG23 VAL 17 3HG2 VAL 17 -5.071 6.459 -7.108 137 H ILE 18 H ILE 18 -4.990 5.903 -1.922 138 HA ILE 18 HA ILE 18 -6.408 8.422 -1.316 139 HB ILE 18 HB ILE 18 -4.751 6.663 0.566 140 HG12 ILE 18 1HG1 ILE 18 -7.784 6.809 0.249 141 HG13 ILE 18 2HG1 ILE 18 -6.770 5.459 -0.235 142 HG21 ILE 18 1HG2 ILE 18 -6.652 8.948 1.220 143 HG22 ILE 18 2HG2 ILE 18 -4.891 9.030 1.285 144 HG23 ILE 18 3HG2 ILE 18 -5.757 7.969 2.386 145 HD11 ILE 18 1HD1 ILE 18 -7.272 6.391 2.589 146 HD12 ILE 18 2HD1 ILE 18 -6.195 5.074 2.119 147 HD13 ILE 18 3HD1 ILE 18 -7.920 4.957 1.800 148 H SER 19 H SER 19 -5.295 10.306 -1.167 149 HA SER 19 HA SER 19 -2.628 10.472 -2.295 150 HB2 SER 19 1HB SER 19 -4.575 12.661 -1.449 151 HB3 SER 19 2HB SER 19 -3.154 12.871 -2.475 152 HG SER 19 HG SER 19 -4.637 12.587 -3.964 153 H THR 20 H THR 20 -2.836 9.463 0.526 154 HA THR 20 HA THR 20 -1.475 11.624 2.043 155 HB THR 20 HB THR 20 -2.108 10.364 4.108 156 HG1 THR 20 1HG THR 20 -2.385 8.302 2.782 157 HG21 THR 20 1HG2 THR 20 -3.598 12.172 3.317 158 HG22 THR 20 2HG2 THR 20 -4.522 10.888 4.098 159 HG23 THR 20 3HG2 THR 20 -4.497 11.012 2.337 160 H VAL 21 H VAL 21 0.511 11.244 2.965 161 HA VAL 21 HA VAL 21 2.051 8.877 2.306 162 HB VAL 21 HB VAL 21 2.746 11.162 4.238 163 HG11 VAL 21 1HG1 VAL 21 4.056 9.128 4.729 164 HG12 VAL 21 2HG1 VAL 21 5.094 10.380 4.043 165 HG13 VAL 21 3HG1 VAL 21 4.562 9.027 3.040 166 HG21 VAL 21 1HG2 VAL 21 4.145 12.074 2.410 167 HG22 VAL 21 2HG2 VAL 21 2.447 11.999 1.937 168 HG23 VAL 21 3HG2 VAL 21 3.580 10.789 1.333 169 H VAL 22 H VAL 22 1.583 7.019 3.375 170 HA VAL 22 HA VAL 22 0.344 6.998 6.009 171 HB VAL 22 HB VAL 22 1.321 4.587 4.426 172 HG11 VAL 22 1HG1 VAL 22 -0.400 3.332 5.669 173 HG12 VAL 22 2HG1 VAL 22 -0.824 4.799 6.556 174 HG13 VAL 22 3HG1 VAL 22 0.774 4.078 6.757 175 HG21 VAL 22 1HG2 VAL 22 -0.157 5.901 2.964 176 HG22 VAL 22 2HG2 VAL 22 -1.406 5.903 4.213 177 HG23 VAL 22 3HG2 VAL 22 -0.931 4.386 3.445 178 H GLY 23 H GLY 23 1.436 6.770 7.900 179 HA2 GLY 23 1HA GLY 23 4.194 7.122 8.131 180 HA3 GLY 23 2HA GLY 23 3.130 6.597 9.427 181 H LEU 24 H LEU 24 5.900 5.758 8.118 182 HA LEU 24 HA LEU 24 5.638 3.148 7.094 183 HB2 LEU 24 1HB LEU 24 7.983 4.701 8.205 184 HB3 LEU 24 2HB LEU 24 8.176 3.009 7.779 185 HG LEU 24 HG LEU 24 7.575 3.483 5.440 186 HD11 LEU 24 1HD1 LEU 24 7.353 6.396 6.228 187 HD12 LEU 24 2HD1 LEU 24 6.036 5.342 5.706 188 HD13 LEU 24 3HD1 LEU 24 7.322 5.761 4.578 189 HD21 LEU 24 1HD2 LEU 24 9.784 5.300 6.450 190 HD22 LEU 24 2HD2 LEU 24 9.588 4.731 4.789 191 HD23 LEU 24 3HD2 LEU 24 9.932 3.579 6.077 192 H ASN 25 H ASN 25 5.963 4.307 10.387 193 HA ASN 25 HA ASN 25 6.504 1.841 11.681 194 HB2 ASN 25 1HB ASN 25 6.927 3.961 12.827 195 HB3 ASN 25 2HB ASN 25 5.224 4.402 12.727 196 HD21 ASN 25 1HD2 ASN 25 4.270 2.546 15.563 197 HD22 ASN 25 2HD2 ASN 25 3.754 3.441 14.179 198 H ILE 26 H ILE 26 3.451 3.447 10.699 199 HA ILE 26 HA ILE 26 1.843 1.507 12.162 200 HB ILE 26 HB ILE 26 -0.155 2.672 11.500 201 HG12 ILE 26 1HG1 ILE 26 1.551 4.424 9.674 202 HG13 ILE 26 2HG1 ILE 26 0.423 3.190 9.137 203 HG21 ILE 26 1HG2 ILE 26 1.122 3.636 13.371 204 HG22 ILE 26 2HG2 ILE 26 0.249 4.891 12.493 205 HG23 ILE 26 3HG2 ILE 26 1.988 4.698 12.255 206 HD11 ILE 26 1HD1 ILE 26 -0.506 5.412 8.878 207 HD12 ILE 26 2HD1 ILE 26 -0.312 5.731 10.600 208 HD13 ILE 26 3HD1 ILE 26 -1.438 4.488 10.051 209 H ILE 27 H ILE 27 3.080 1.914 8.930 210 HA ILE 27 HA ILE 27 1.386 0.151 7.493 211 HB ILE 27 HB ILE 27 4.344 0.757 7.027 212 HG12 ILE 27 1HG1 ILE 27 1.860 1.958 5.739 213 HG13 ILE 27 2HG1 ILE 27 2.946 2.777 6.849 214 HG21 ILE 27 1HG2 ILE 27 4.013 -0.103 4.734 215 HG22 ILE 27 2HG2 ILE 27 2.364 -0.571 5.148 216 HG23 ILE 27 3HG2 ILE 27 3.731 -1.358 5.940 217 HD11 ILE 27 1HD1 ILE 27 3.580 1.870 4.041 218 HD12 ILE 27 2HD1 ILE 27 4.755 2.566 5.163 219 HD13 ILE 27 3HD1 ILE 27 3.374 3.518 4.630 220 H ASP 28 H ASP 28 1.080 -1.971 7.842 221 HA ASP 28 HA ASP 28 3.169 -3.642 9.092 222 HB2 ASP 28 1HB ASP 28 0.990 -3.730 10.194 223 HB3 ASP 28 2HB ASP 28 0.184 -4.112 8.677 224 H ARG 29 H ARG 29 1.209 -3.301 6.152 225 HA ARG 29 HA ARG 29 2.603 -5.505 4.805 226 HB2 ARG 29 1HB ARG 29 0.662 -6.336 6.383 227 HB3 ARG 29 2HB ARG 29 -0.417 -5.684 5.160 228 HG2 ARG 29 1HG ARG 29 0.336 -7.280 3.525 229 HG3 ARG 29 2HG ARG 29 1.703 -7.758 4.537 230 HD2 ARG 29 1HD ARG 29 -1.239 -8.307 5.024 231 HD3 ARG 29 2HD ARG 29 0.042 -9.491 4.737 232 HE ARG 29 HE ARG 29 0.684 -7.983 7.039 233 HH11 ARG 29 1HH1 ARG 29 -1.621 -10.479 6.078 234 HH12 ARG 29 2HH1 ARG 29 -1.797 -11.079 7.695 235 HH21 ARG 29 1HH2 ARG 29 0.369 -8.712 9.121 236 HH22 ARG 29 2HH2 ARG 29 -0.663 -10.073 9.424 237 H ILE 30 H ILE 30 2.547 -5.246 2.616 238 HA ILE 30 HA ILE 30 0.871 -3.142 1.363 239 HB ILE 30 HB ILE 30 3.911 -3.467 1.139 240 HG12 ILE 30 1HG1 ILE 30 2.223 -1.119 2.087 241 HG13 ILE 30 2HG1 ILE 30 3.177 -2.181 3.112 242 HG21 ILE 30 1HG2 ILE 30 2.162 -1.603 -0.494 243 HG22 ILE 30 2HG2 ILE 30 2.996 -3.030 -1.108 244 HG23 ILE 30 3HG2 ILE 30 3.927 -1.651 -0.522 245 HD11 ILE 30 1HD1 ILE 30 4.249 -0.260 1.047 246 HD12 ILE 30 2HD1 ILE 30 5.217 -1.355 2.043 247 HD13 ILE 30 3HD1 ILE 30 4.282 -0.068 2.802 248 H GLN 31 H GLN 31 -0.273 -4.256 -0.175 249 HA GLN 31 HA GLN 31 1.053 -6.420 -1.719 250 HB2 GLN 31 1HB GLN 31 -0.952 -7.152 -0.486 251 HB3 GLN 31 2HB GLN 31 -1.910 -5.891 -1.251 252 HG2 GLN 31 1HG GLN 31 -1.715 -6.967 -3.416 253 HG3 GLN 31 2HG GLN 31 -0.562 -8.137 -2.781 254 HE21 GLN 31 1HE2 GLN 31 -3.415 -9.593 -0.781 255 HE22 GLN 31 2HE2 GLN 31 -2.016 -8.693 -0.313 256 H VAL 32 H VAL 32 1.532 -6.005 -3.781 257 HA VAL 32 HA VAL 32 0.574 -3.558 -5.080 258 HB VAL 32 HB VAL 32 2.553 -5.660 -6.082 259 HG11 VAL 32 1HG1 VAL 32 1.919 -2.913 -7.236 260 HG12 VAL 32 2HG1 VAL 32 1.508 -4.464 -7.971 261 HG13 VAL 32 3HG1 VAL 32 3.200 -3.996 -7.797 262 HG21 VAL 32 1HG2 VAL 32 3.391 -4.480 -4.089 263 HG22 VAL 32 2HG2 VAL 32 3.072 -2.922 -4.855 264 HG23 VAL 32 3HG2 VAL 32 4.304 -3.996 -5.522 265 H THR 33 H THR 33 -1.319 -3.607 -6.075 266 HA THR 33 HA THR 33 -2.350 -6.096 -7.288 267 HB THR 33 HB THR 33 -3.818 -3.730 -6.085 268 HG1 THR 33 1HG THR 33 -3.217 -5.069 -4.472 269 HG21 THR 33 1HG2 THR 33 -5.075 -4.539 -8.066 270 HG22 THR 33 2HG2 THR 33 -5.918 -4.921 -6.566 271 HG23 THR 33 3HG2 THR 33 -5.029 -6.183 -7.418 272 HA PRO 34 HA PRO 34 -2.089 -3.697 -11.262 273 HB2 PRO 34 2HB PRO 34 -2.472 -6.490 -12.305 274 HB3 PRO 34 1HB PRO 34 -1.252 -5.280 -12.758 275 HG2 PRO 34 2HG PRO 34 -0.552 -7.407 -11.324 276 HG3 PRO 34 1HG PRO 34 0.144 -5.806 -10.966 277 HD2 PRO 34 2HD PRO 34 -2.113 -7.233 -9.543 278 HD3 PRO 34 1HD PRO 34 -0.696 -6.396 -8.857 279 HA PRO 35 HA PRO 35 -6.573 -4.002 -12.038 280 HB2 PRO 35 2HB PRO 35 -6.824 -2.691 -14.381 281 HB3 PRO 35 1HB PRO 35 -6.229 -1.839 -12.939 282 HG2 PRO 35 2HG PRO 35 -4.669 -2.914 -15.267 283 HG3 PRO 35 1HG PRO 35 -4.474 -1.377 -14.393 284 HD2 PRO 35 2HD PRO 35 -2.949 -3.675 -13.919 285 HD3 PRO 35 1HD PRO 35 -3.136 -2.329 -12.774 286 H GLY 36 H GLY 36 -8.121 -5.196 -13.266 287 HA2 GLY 36 1HA GLY 36 -7.828 -6.571 -15.648 288 HA3 GLY 36 2HA GLY 36 -7.171 -7.641 -14.408 289 H ASN 37 H ASN 37 -8.771 -9.195 -14.512 290 HA ASN 37 HA ASN 37 -11.566 -8.607 -14.657 291 HB2 ASN 37 1HB ASN 37 -10.697 -10.634 -15.673 292 HB3 ASN 37 2HB ASN 37 -10.054 -11.200 -14.137 293 HD21 ASN 37 1HD2 ASN 37 -13.060 -12.645 -13.072 294 HD22 ASN 37 2HD2 ASN 37 -11.423 -12.236 -12.703 295 H GLY 38 H GLY 38 -9.522 -9.991 -12.045 296 HA2 GLY 38 1HA GLY 38 -11.614 -10.165 -10.111 297 HA3 GLY 38 2HA GLY 38 -9.897 -10.345 -9.817 298 H CYS 39 H CYS 39 -9.384 -7.624 -10.951 299 HA CYS 39 HA CYS 39 -10.334 -5.967 -8.703 300 HB2 CYS 39 2HB CYS 39 -7.509 -6.062 -9.809 301 HB3 CYS 39 1HB CYS 39 -8.067 -5.023 -8.496 302 HA PRO 40 HA PRO 40 -11.648 -3.696 -12.386 303 HB2 PRO 40 2HB PRO 40 -12.886 -1.553 -11.178 304 HB3 PRO 40 1HB PRO 40 -13.599 -3.179 -11.216 305 HG2 PRO 40 2HG PRO 40 -12.052 -1.858 -9.001 306 HG3 PRO 40 1HG PRO 40 -13.572 -2.779 -8.914 307 HD2 PRO 40 2HD PRO 40 -11.193 -3.904 -8.283 308 HD3 PRO 40 1HD PRO 40 -12.488 -4.850 -9.058 309 H LYS 41 H LYS 41 -9.449 -2.359 -10.007 310 HA LYS 41 HA LYS 41 -8.329 -0.476 -11.966 311 HB2 LYS 41 1HB LYS 41 -8.257 1.328 -10.101 312 HB3 LYS 41 2HB LYS 41 -9.781 1.063 -10.940 313 HG2 LYS 41 1HG LYS 41 -10.605 -0.292 -9.034 314 HG3 LYS 41 2HG LYS 41 -9.083 -0.015 -8.178 315 HD2 LYS 41 1HD LYS 41 -9.530 2.304 -7.898 316 HD3 LYS 41 2HD LYS 41 -10.804 2.303 -9.119 317 HE2 LYS 41 1HE LYS 41 -11.774 2.488 -6.883 318 HE3 LYS 41 2HE LYS 41 -12.230 0.946 -7.608 319 HZ1 LYS 41 1HZ LYS 41 -10.467 -0.119 -6.287 320 HZ2 LYS 41 2HZ LYS 41 -11.607 0.648 -5.315 321 HZ3 LYS 41 3HZ LYS 41 -10.103 1.369 -5.564 322 H THR 42 H THR 42 -6.307 0.597 -11.058 323 HA THR 42 HA THR 42 -4.535 -1.456 -9.994 324 HB THR 42 HB THR 42 -3.777 1.382 -10.823 325 HG1 THR 42 1HG THR 42 -3.178 -0.430 -12.714 326 HG21 THR 42 1HG2 THR 42 -1.552 0.406 -11.245 327 HG22 THR 42 2HG2 THR 42 -2.131 -1.180 -10.735 328 HG23 THR 42 3HG2 THR 42 -2.037 0.140 -9.566 329 H GLU 43 H GLU 43 -4.188 -1.576 -7.850 330 HA GLU 43 HA GLU 43 -4.119 0.864 -6.182 331 HB2 GLU 43 1HB GLU 43 -5.725 -1.639 -5.451 332 HB3 GLU 43 2HB GLU 43 -5.453 -0.253 -4.393 333 HG2 GLU 43 1HG GLU 43 -6.655 1.188 -6.048 334 HG3 GLU 43 2HG GLU 43 -7.015 -0.254 -6.996 335 H VAL 44 H VAL 44 -2.939 0.584 -4.226 336 HA VAL 44 HA VAL 44 -1.400 -1.936 -3.923 337 HB VAL 44 HB VAL 44 -0.382 0.874 -3.238 338 HG11 VAL 44 1HG1 VAL 44 0.979 -1.835 -3.012 339 HG12 VAL 44 2HG1 VAL 44 0.464 -0.809 -1.676 340 HG13 VAL 44 3HG1 VAL 44 1.768 -0.285 -2.732 341 HG21 VAL 44 1HG2 VAL 44 -0.386 0.520 -5.679 342 HG22 VAL 44 2HG2 VAL 44 0.513 -0.984 -5.476 343 HG23 VAL 44 3HG2 VAL 44 1.265 0.554 -5.061 344 H VAL 45 H VAL 45 -2.356 -2.918 -2.247 345 HA VAL 45 HA VAL 45 -4.044 -1.350 -0.442 346 HB VAL 45 HB VAL 45 -3.871 -4.383 -0.776 347 HG11 VAL 45 1HG1 VAL 45 -4.780 -3.741 1.420 348 HG12 VAL 45 2HG1 VAL 45 -6.039 -4.453 0.409 349 HG13 VAL 45 3HG1 VAL 45 -5.974 -2.703 0.634 350 HG21 VAL 45 1HG2 VAL 45 -5.970 -4.214 -2.091 351 HG22 VAL 45 2HG2 VAL 45 -4.651 -3.351 -2.878 352 HG23 VAL 45 3HG2 VAL 45 -5.885 -2.450 -1.999 353 H ILE 46 H ILE 46 -2.974 -0.594 1.223 354 HA ILE 46 HA ILE 46 -0.881 -2.089 2.620 355 HB ILE 46 HB ILE 46 -1.800 0.805 2.983 356 HG12 ILE 46 1HG1 ILE 46 0.650 -0.320 1.554 357 HG13 ILE 46 2HG1 ILE 46 -0.706 0.516 0.806 358 HG21 ILE 46 1HG2 ILE 46 0.593 -0.604 4.229 359 HG22 ILE 46 2HG2 ILE 46 -0.873 -0.105 5.077 360 HG23 ILE 46 3HG2 ILE 46 0.202 1.113 4.394 361 HD11 ILE 46 1HD1 ILE 46 1.167 1.982 0.923 362 HD12 ILE 46 2HD1 ILE 46 1.362 1.714 2.649 363 HD13 ILE 46 3HD1 ILE 46 -0.059 2.570 2.040 364 H TRP 47 H TRP 47 -1.696 -3.441 4.156 365 HA TRP 47 HA TRP 47 -3.857 -2.648 5.958 366 HB2 TRP 47 2HB TRP 47 -2.013 -5.090 5.942 367 HB3 TRP 47 1HB TRP 47 -3.299 -4.829 7.119 368 HD1 TRP 47 1HD TRP 47 -5.803 -5.246 6.314 369 HE1 TRP 47 1HE TRP 47 -6.788 -6.440 4.272 370 HE3 TRP 47 3HE TRP 47 -1.609 -5.501 3.383 371 HZ2 TRP 47 2HZ TRP 47 -5.942 -7.364 1.761 372 HZ3 TRP 47 3HZ TRP 47 -1.794 -6.544 1.167 373 HH2 TRP 47 2HH TRP 47 -3.918 -7.459 0.369 374 H THR 48 H THR 48 -3.414 -1.369 7.693 375 HA THR 48 HA THR 48 -0.695 -1.026 8.692 376 HB THR 48 HB THR 48 -1.816 0.504 10.373 377 HG1 THR 48 1HG THR 48 -4.168 0.484 8.888 378 HG21 THR 48 1HG2 THR 48 -0.958 1.425 8.234 379 HG22 THR 48 2HG2 THR 48 -2.414 2.273 8.759 380 HG23 THR 48 3HG2 THR 48 -2.512 1.079 7.464 381 H LYS 49 H LYS 49 -0.195 -1.406 11.034 382 HA LYS 49 HA LYS 49 -0.814 -3.983 12.012 383 HB2 LYS 49 1HB LYS 49 0.343 -3.293 14.093 384 HB3 LYS 49 2HB LYS 49 1.245 -2.784 12.672 385 HG2 LYS 49 1HG LYS 49 0.592 -0.493 12.959 386 HG3 LYS 49 2HG LYS 49 -0.612 -0.910 14.168 387 HD2 LYS 49 1HD LYS 49 1.261 0.110 15.289 388 HD3 LYS 49 2HD LYS 49 1.235 -1.596 15.715 389 HE2 LYS 49 1HE LYS 49 3.040 -0.505 13.537 390 HE3 LYS 49 2HE LYS 49 3.520 -0.523 15.225 391 HZ1 LYS 49 1HZ LYS 49 3.275 -2.929 15.215 392 HZ2 LYS 49 2HZ LYS 49 4.383 -2.424 14.050 393 HZ3 LYS 49 3HZ LYS 49 2.832 -2.901 13.586 394 H MET 50 H MET 50 -2.482 -1.019 12.278 395 HA MET 50 HA MET 50 -4.124 -1.631 14.582 396 HB2 MET 50 1HB MET 50 -4.273 0.662 12.579 397 HB3 MET 50 2HB MET 50 -5.132 0.590 14.112 398 HG2 MET 50 1HG MET 50 -3.075 0.786 15.354 399 HG3 MET 50 2HG MET 50 -2.107 0.603 13.889 400 HE1 MET 50 1HE MET 50 -2.968 3.980 11.996 401 HE2 MET 50 2HE MET 50 -3.861 2.470 11.837 402 HE3 MET 50 3HE MET 50 -2.095 2.452 11.893 403 H LYS 51 H LYS 51 -4.127 -2.665 11.444 404 HA LYS 51 HA LYS 51 -5.477 -3.846 10.136 405 HB2 LYS 51 1HB LYS 51 -7.334 -3.821 12.535 406 HB3 LYS 51 2HB LYS 51 -7.722 -4.697 11.059 407 HG2 LYS 51 1HG LYS 51 -5.256 -5.188 12.776 408 HG3 LYS 51 2HG LYS 51 -6.739 -6.151 12.815 409 HD2 LYS 51 1HD LYS 51 -6.405 -6.805 10.457 410 HD3 LYS 51 2HD LYS 51 -4.955 -5.797 10.366 411 HE2 LYS 51 1HE LYS 51 -5.290 -8.202 12.196 412 HE3 LYS 51 2HE LYS 51 -4.428 -8.205 10.656 413 HZ1 LYS 51 1HZ LYS 51 -3.712 -6.539 13.010 414 HZ2 LYS 51 2HZ LYS 51 -2.866 -6.608 11.547 415 HZ3 LYS 51 3HZ LYS 51 -2.933 -7.964 12.549 416 H LYS 52 H LYS 52 -5.705 -0.802 10.373 417 HA LYS 52 HA LYS 52 -8.168 -0.305 8.909 418 HB2 LYS 52 1HB LYS 52 -5.794 1.485 9.581 419 HB3 LYS 52 2HB LYS 52 -7.043 2.003 8.455 420 HG2 LYS 52 1HG LYS 52 -7.614 2.951 10.562 421 HG3 LYS 52 2HG LYS 52 -8.745 1.627 10.280 422 HD2 LYS 52 1HD LYS 52 -7.319 0.180 11.770 423 HD3 LYS 52 2HD LYS 52 -6.325 1.597 12.119 424 HE2 LYS 52 1HE LYS 52 -9.278 1.279 12.761 425 HE3 LYS 52 2HE LYS 52 -7.947 1.213 13.915 426 HZ1 LYS 52 1HZ LYS 52 -7.445 3.520 13.416 427 HZ2 LYS 52 2HZ LYS 52 -9.044 3.359 13.938 428 HZ3 LYS 52 3HZ LYS 52 -8.710 3.586 12.299 429 H VAL 53 H VAL 53 -8.437 -0.526 6.800 430 HA VAL 53 HA VAL 53 -6.262 -1.410 5.058 431 HB VAL 53 HB VAL 53 -9.249 -1.148 4.439 432 HG11 VAL 53 1HG1 VAL 53 -7.103 -2.714 2.971 433 HG12 VAL 53 2HG1 VAL 53 -7.855 -1.221 2.409 434 HG13 VAL 53 3HG1 VAL 53 -8.823 -2.690 2.565 435 HG21 VAL 53 1HG2 VAL 53 -8.919 -2.702 6.320 436 HG22 VAL 53 2HG2 VAL 53 -7.745 -3.621 5.373 437 HG23 VAL 53 3HG2 VAL 53 -9.437 -3.569 4.871 438 H ILE 54 H ILE 54 -5.086 0.270 4.312 439 HA ILE 54 HA ILE 54 -6.391 2.680 3.159 440 HB ILE 54 HB ILE 54 -3.520 2.294 4.170 441 HG12 ILE 54 1HG1 ILE 54 -5.785 3.948 5.385 442 HG13 ILE 54 2HG1 ILE 54 -5.205 2.411 6.014 443 HG21 ILE 54 1HG2 ILE 54 -3.602 3.860 2.270 444 HG22 ILE 54 2HG2 ILE 54 -3.201 4.702 3.764 445 HG23 ILE 54 3HG2 ILE 54 -4.830 4.817 3.101 446 HD11 ILE 54 1HD1 ILE 54 -4.341 4.214 7.331 447 HD12 ILE 54 2HD1 ILE 54 -3.662 5.006 5.911 448 HD13 ILE 54 3HD1 ILE 54 -3.012 3.456 6.457 449 H CYS 55 H CYS 55 -6.443 2.583 0.927 450 HA CYS 55 HA CYS 55 -4.460 0.916 -0.517 451 HB2 CYS 55 2HB CYS 55 -7.116 1.974 -1.567 452 HB3 CYS 55 1HB CYS 55 -6.098 0.737 -2.300 453 H VAL 56 H VAL 56 -2.990 1.946 -1.765 454 HA VAL 56 HA VAL 56 -3.261 4.871 -2.239 455 HB VAL 56 HB VAL 56 -0.820 5.123 -1.906 456 HG11 VAL 56 1HG1 VAL 56 -2.226 3.906 0.493 457 HG12 VAL 56 2HG1 VAL 56 -2.226 5.607 0.012 458 HG13 VAL 56 3HG1 VAL 56 -0.733 4.842 0.557 459 HG21 VAL 56 1HG2 VAL 56 0.578 3.360 -0.967 460 HG22 VAL 56 2HG2 VAL 56 -0.129 2.801 -2.484 461 HG23 VAL 56 3HG2 VAL 56 -0.782 2.237 -0.945 462 H ASN 57 H ASN 57 -1.804 5.659 -3.970 463 HA ASN 57 HA ASN 57 -1.975 4.043 -6.362 464 HB2 ASN 57 1HB ASN 57 -1.122 6.076 -7.521 465 HB3 ASN 57 2HB ASN 57 -2.500 6.440 -6.492 466 HD21 ASN 57 1HD2 ASN 57 0.345 8.948 -6.126 467 HD22 ASN 57 2HD2 ASN 57 -0.361 8.210 -7.516 468 HA PRO 58 HA PRO 58 2.306 2.516 -6.200 469 HB2 PRO 58 2HB PRO 58 2.676 1.850 -8.846 470 HB3 PRO 58 1HB PRO 58 1.676 0.888 -7.737 471 HG2 PRO 58 2HG PRO 58 0.790 2.966 -9.726 472 HG3 PRO 58 1HG PRO 58 0.134 1.341 -9.428 473 HD2 PRO 58 2HD PRO 58 -1.052 3.527 -8.377 474 HD3 PRO 58 1HD PRO 58 -0.994 1.993 -7.483 475 H ARG 59 H ARG 59 1.312 5.321 -7.902 476 HA ARG 59 HA ARG 59 3.971 6.111 -8.817 477 HB2 ARG 59 1HB ARG 59 1.239 7.399 -9.060 478 HB3 ARG 59 2HB ARG 59 2.688 8.325 -9.408 479 HG2 ARG 59 1HG ARG 59 1.795 7.529 -11.477 480 HG3 ARG 59 2HG ARG 59 3.291 6.649 -11.157 481 HD2 ARG 59 1HD ARG 59 1.956 4.707 -10.374 482 HD3 ARG 59 2HD ARG 59 0.471 5.609 -10.714 483 HE ARG 59 HE ARG 59 2.287 5.335 -12.950 484 HH11 ARG 59 1HH1 ARG 59 -0.496 3.892 -11.322 485 HH12 ARG 59 2HH1 ARG 59 -0.995 3.014 -12.728 486 HH21 ARG 59 1HH2 ARG 59 1.613 4.206 -14.749 487 HH22 ARG 59 2HH2 ARG 59 0.208 3.193 -14.682 488 H ALA 60 H ALA 60 2.303 6.239 -5.891 489 HA ALA 60 HA ALA 60 3.092 8.668 -4.740 490 HB1 ALA 60 1HB ALA 60 2.931 7.465 -2.562 491 HB2 ALA 60 2HB ALA 60 2.834 5.930 -3.430 492 HB3 ALA 60 3HB ALA 60 1.557 7.130 -3.614 493 H LYS 61 H LYS 61 5.087 9.476 -4.537 494 HA LYS 61 HA LYS 61 7.392 8.034 -5.412 495 HB2 LYS 61 1HB LYS 61 6.808 10.489 -5.844 496 HB3 LYS 61 2HB LYS 61 7.296 10.837 -4.197 497 HG2 LYS 61 1HG LYS 61 9.190 9.594 -6.226 498 HG3 LYS 61 2HG LYS 61 8.969 11.337 -6.098 499 HD2 LYS 61 1HD LYS 61 10.014 9.491 -3.916 500 HD3 LYS 61 2HD LYS 61 10.970 10.619 -4.877 501 HE2 LYS 61 1HE LYS 61 9.837 12.522 -3.864 502 HE3 LYS 61 2HE LYS 61 8.721 11.452 -3.011 503 HZ1 LYS 61 1HZ LYS 61 10.532 12.285 -1.607 504 HZ2 LYS 61 2HZ LYS 61 11.658 11.498 -2.591 505 HZ3 LYS 61 3HZ LYS 61 10.523 10.600 -1.713 506 H TRP 62 H TRP 62 6.233 9.181 -2.257 507 HA TRP 62 HA TRP 62 8.433 8.471 -0.641 508 HB2 TRP 62 2HB TRP 62 6.894 8.596 1.259 509 HB3 TRP 62 1HB TRP 62 6.479 9.881 0.129 510 HD1 TRP 62 1HD TRP 62 4.071 9.681 -1.114 511 HE1 TRP 62 1HE TRP 62 2.002 8.220 -0.671 512 HE3 TRP 62 3HE TRP 62 6.119 6.332 2.149 513 HZ2 TRP 62 2HZ TRP 62 1.337 5.938 0.832 514 HZ3 TRP 62 3HZ TRP 62 4.717 4.534 3.028 515 HH2 TRP 62 2HH TRP 62 2.364 4.331 2.383 516 H LEU 63 H LEU 63 5.787 6.586 -1.981 517 HA LEU 63 HA LEU 63 5.902 4.268 -0.358 518 HB2 LEU 63 1HB LEU 63 3.933 4.889 -1.671 519 HB3 LEU 63 2HB LEU 63 4.843 4.715 -3.159 520 HG LEU 63 HG LEU 63 5.071 2.223 -2.604 521 HD11 LEU 63 1HD1 LEU 63 3.425 1.239 -1.071 522 HD12 LEU 63 2HD1 LEU 63 2.955 2.859 -0.540 523 HD13 LEU 63 3HD1 LEU 63 4.585 2.265 -0.233 524 HD21 LEU 63 1HD2 LEU 63 2.885 1.668 -3.474 525 HD22 LEU 63 2HD2 LEU 63 3.526 3.078 -4.297 526 HD23 LEU 63 3HD2 LEU 63 2.272 3.269 -3.073 527 H GLN 64 H GLN 64 7.653 5.290 -3.205 528 HA GLN 64 HA GLN 64 8.679 2.849 -4.131 529 HB2 GLN 64 1HB GLN 64 9.803 5.667 -4.344 530 HB3 GLN 64 2HB GLN 64 10.443 4.290 -5.236 531 HG2 GLN 64 1HG GLN 64 7.596 5.330 -5.470 532 HG3 GLN 64 2HG GLN 64 8.906 5.702 -6.591 533 HE21 GLN 64 1HE2 GLN 64 6.739 2.733 -7.681 534 HE22 GLN 64 2HE2 GLN 64 6.290 4.218 -6.928 535 H ARG 65 H ARG 65 9.716 4.907 -1.460 536 HA ARG 65 HA ARG 65 12.197 3.801 -0.777 537 HB2 ARG 65 1HB ARG 65 9.942 4.785 1.026 538 HB3 ARG 65 2HB ARG 65 11.519 4.316 1.650 539 HG2 ARG 65 1HG ARG 65 12.589 6.127 0.441 540 HG3 ARG 65 2HG ARG 65 11.066 6.553 -0.345 541 HD2 ARG 65 1HD ARG 65 10.096 7.189 1.814 542 HD3 ARG 65 2HD ARG 65 11.560 6.666 2.656 543 HE ARG 65 HE ARG 65 12.179 8.624 0.702 544 HH11 ARG 65 1HH1 ARG 65 10.653 8.372 3.875 545 HH12 ARG 65 2HH1 ARG 65 11.067 9.986 4.336 546 HH21 ARG 65 1HH2 ARG 65 12.801 10.710 1.372 547 HH22 ARG 65 2HH2 ARG 65 12.292 11.309 2.914 548 H LEU 66 H LEU 66 8.903 2.757 0.013 549 HA LEU 66 HA LEU 66 9.650 0.610 1.755 550 HB2 LEU 66 1HB LEU 66 7.028 1.399 0.440 551 HB3 LEU 66 2HB LEU 66 7.160 -0.052 1.401 552 HG LEU 66 HG LEU 66 6.095 1.736 2.680 553 HD11 LEU 66 1HD1 LEU 66 7.459 0.073 3.894 554 HD12 LEU 66 2HD1 LEU 66 7.333 1.621 4.719 555 HD13 LEU 66 3HD1 LEU 66 8.824 1.200 3.879 556 HD21 LEU 66 1HD2 LEU 66 8.638 3.369 2.418 557 HD22 LEU 66 2HD2 LEU 66 7.203 3.788 3.354 558 HD23 LEU 66 3HD2 LEU 66 7.110 3.701 1.606 559 H LEU 67 H LEU 67 8.530 0.828 -1.599 560 HA LEU 67 HA LEU 67 8.361 -1.926 -2.179 561 HB2 LEU 67 1HB LEU 67 8.887 0.381 -4.113 562 HB3 LEU 67 2HB LEU 67 8.352 -1.230 -4.568 563 HG LEU 67 HG LEU 67 6.739 0.785 -2.944 564 HD11 LEU 67 1HD1 LEU 67 6.921 1.455 -5.279 565 HD12 LEU 67 2HD1 LEU 67 5.279 0.943 -4.904 566 HD13 LEU 67 3HD1 LEU 67 6.350 -0.131 -5.808 567 HD21 LEU 67 1HD2 LEU 67 5.915 -1.976 -3.910 568 HD22 LEU 67 2HD2 LEU 67 4.846 -0.783 -3.166 569 HD23 LEU 67 3HD2 LEU 67 6.166 -1.477 -2.234 570 H ARG 68 H ARG 68 11.098 0.349 -2.341 571 HA ARG 68 HA ARG 68 12.881 -1.690 -3.437 572 HB2 ARG 68 1HB ARG 68 12.965 0.756 -4.131 573 HB3 ARG 68 2HB ARG 68 13.627 1.120 -2.540 574 HG2 ARG 68 1HG ARG 68 15.596 -0.253 -3.003 575 HG3 ARG 68 2HG ARG 68 14.909 -0.778 -4.539 576 HD2 ARG 68 1HD ARG 68 15.006 1.603 -5.336 577 HD3 ARG 68 2HD ARG 68 15.819 2.034 -3.824 578 HE ARG 68 HE ARG 68 17.236 -0.084 -4.962 579 HH11 ARG 68 1HH1 ARG 68 16.598 3.288 -5.762 580 HH12 ARG 68 2HH1 ARG 68 18.079 3.478 -6.642 581 HH21 ARG 68 1HH2 ARG 68 19.160 0.183 -6.103 582 HH22 ARG 68 2HH2 ARG 68 19.529 1.709 -6.834 583 H HIS 69 H HIS 69 12.001 -0.542 -0.274 584 HA HIS 69 HA HIS 69 14.495 -1.191 1.053 585 HB2 HIS 69 1HB HIS 69 12.974 0.603 1.908 586 HB3 HIS 69 2HB HIS 69 11.772 -0.617 2.306 587 HD1 HIS 69 HD1 HIS 69 12.150 -1.988 4.442 588 HD2 HIS 69 HD2 HIS 69 15.252 0.653 3.621 589 HE1 HIS 69 HE1 HIS 69 13.562 -1.942 6.512 590 HE2 HIS 69 HE2 HIS 69 15.457 -0.379 5.974 591 H VAL 70 H VAL 70 11.296 -2.713 0.731 592 HA VAL 70 HA VAL 70 11.771 -5.019 2.306 593 HB VAL 70 HB VAL 70 9.904 -6.087 1.059 594 HG11 VAL 70 1HG1 VAL 70 9.331 -3.190 1.794 595 HG12 VAL 70 2HG1 VAL 70 9.337 -4.568 2.900 596 HG13 VAL 70 3HG1 VAL 70 8.121 -4.470 1.626 597 HG21 VAL 70 1HG2 VAL 70 10.404 -5.260 -1.208 598 HG22 VAL 70 2HG2 VAL 70 9.951 -3.622 -0.729 599 HG23 VAL 70 3HG2 VAL 70 8.737 -4.902 -0.760 600 H GLN 71 H GLN 71 12.552 -4.236 -1.015 601 HA GLN 71 HA GLN 71 13.689 -6.717 -1.832 602 HB2 GLN 71 1HB GLN 71 12.932 -4.878 -3.358 603 HB3 GLN 71 2HB GLN 71 14.240 -3.870 -2.757 604 HG2 GLN 71 1HG GLN 71 15.887 -5.416 -3.720 605 HG3 GLN 71 2HG GLN 71 14.595 -6.468 -4.285 606 HE21 GLN 71 1HE2 GLN 71 14.709 -2.842 -6.202 607 HE22 GLN 71 2HE2 GLN 71 14.712 -2.893 -4.487 608 H SER 72 H SER 72 16.012 -7.165 -2.047 609 HA SER 72 HA SER 72 17.356 -6.878 0.430 610 HB2 SER 72 1HB SER 72 18.442 -7.952 -2.213 611 HB3 SER 72 2HB SER 72 19.109 -8.260 -0.606 612 HG SER 72 HG SER 72 16.946 -9.159 -0.133 613 H LYS 73 H LYS 73 17.548 -4.597 0.679 614 HA LYS 73 HA LYS 73 19.269 -3.027 -1.053 615 HB2 LYS 73 1HB LYS 73 17.267 -1.944 -0.140 616 HB3 LYS 73 2HB LYS 73 17.752 -2.340 1.506 617 HG2 LYS 73 1HG LYS 73 19.731 -0.839 1.256 618 HG3 LYS 73 2HG LYS 73 19.168 -0.408 -0.362 619 HD2 LYS 73 1HD LYS 73 17.169 0.640 0.552 620 HD3 LYS 73 2HD LYS 73 17.558 0.068 2.178 621 HE2 LYS 73 1HE LYS 73 18.122 2.457 1.895 622 HE3 LYS 73 2HE LYS 73 19.554 1.483 2.225 623 HZ1 LYS 73 1HZ LYS 73 20.080 1.523 -0.135 624 HZ2 LYS 73 2HZ LYS 73 19.963 3.092 0.478 625 HZ3 LYS 73 3HZ LYS 73 18.704 2.449 -0.451 626 H SER 74 H SER 74 19.287 -3.216 2.501 627 HA SER 74 HA SER 74 21.757 -4.320 3.035 628 HB2 SER 74 1HB SER 74 23.158 -2.265 3.529 629 HB3 SER 74 2HB SER 74 22.860 -2.524 1.811 630 HG SER 74 HG SER 74 21.909 -0.530 3.510 631 H LEU 75 H LEU 75 22.492 -3.865 5.267 632 HA LEU 75 HA LEU 75 20.274 -3.236 7.074 633 HB2 LEU 75 1HB LEU 75 23.032 -4.435 7.604 634 HB3 LEU 75 2HB LEU 75 21.868 -4.082 8.865 635 HG LEU 75 HG LEU 75 21.783 -6.442 8.461 636 HD11 LEU 75 1HD1 LEU 75 19.611 -5.374 8.864 637 HD12 LEU 75 2HD1 LEU 75 19.469 -6.833 7.892 638 HD13 LEU 75 3HD1 LEU 75 19.342 -5.252 7.121 639 HD21 LEU 75 1HD2 LEU 75 21.349 -5.901 5.505 640 HD22 LEU 75 2HD2 LEU 75 21.341 -7.488 6.281 641 HD23 LEU 75 3HD2 LEU 75 22.823 -6.534 6.244 642 H SER 76 H SER 76 20.044 -1.150 7.485 643 HA SER 76 HA SER 76 21.884 0.932 7.226 644 HB2 SER 76 1HB SER 76 19.412 1.271 7.311 645 HB3 SER 76 2HB SER 76 19.405 0.827 9.018 646 HG SER 76 HG SER 76 20.655 2.665 9.447 647 H SER 77 H SER 77 23.508 1.653 8.509 648 HA SER 77 HA SER 77 24.592 -0.006 10.498 649 HB2 SER 77 1HB SER 77 25.358 2.867 9.797 650 HB3 SER 77 2HB SER 77 26.379 1.691 10.636 651 HG SER 77 HG SER 77 26.093 0.355 8.698 652 H THR 78 H THR 78 23.450 -0.285 12.334 653 HA THR 78 HA THR 78 22.081 1.772 13.778 654 HB THR 78 HB THR 78 21.722 -0.038 15.498 655 HG1 THR 78 1HG THR 78 22.830 -1.961 13.790 656 HG21 THR 78 1HG2 THR 78 20.364 -1.532 14.078 657 HG22 THR 78 2HG2 THR 78 21.166 -0.907 12.637 658 HG23 THR 78 3HG2 THR 78 20.142 0.155 13.606 659 HA PRO 79 HA PRO 79 25.948 3.080 15.965 660 HB2 PRO 79 2HB PRO 79 24.063 4.972 17.338 661 HB3 PRO 79 1HB PRO 79 25.556 5.324 16.443 662 HG2 PRO 79 2HG PRO 79 23.199 5.932 15.379 663 HG3 PRO 79 1HG PRO 79 24.495 5.256 14.361 664 HD2 PRO 79 2HD PRO 79 22.116 3.829 15.568 665 HD3 PRO 79 1HD PRO 79 22.741 3.761 13.901 666 H GLN 80 H GLN 80 26.643 3.171 18.232 667 HA GLN 80 HA GLN 80 25.699 0.999 19.815 668 HB2 GLN 80 1HB GLN 80 27.659 3.244 20.480 669 HB3 GLN 80 2HB GLN 80 27.388 1.837 21.507 670 HG2 GLN 80 1HG GLN 80 28.210 0.369 19.696 671 HG3 GLN 80 2HG GLN 80 28.504 1.784 18.684 672 HE21 GLN 80 1HE2 GLN 80 31.492 2.704 20.301 673 HE22 GLN 80 2HE2 GLN 80 30.233 3.184 19.220 674 H ALA 81 H ALA 81 24.348 0.948 21.504 675 HA ALA 81 HA ALA 81 22.401 2.840 22.033 676 HB1 ALA 81 1HB ALA 81 23.384 0.624 23.876 677 HB2 ALA 81 2HB ALA 81 22.192 0.450 22.588 678 HB3 ALA 81 3HB ALA 81 21.822 1.448 23.993 679 HA PRO 82 HA PRO 82 24.439 5.809 24.822 680 HB2 PRO 82 2HB PRO 82 22.221 6.995 25.929 681 HB3 PRO 82 1HB PRO 82 22.722 7.299 24.252 682 HG2 PRO 82 2HG PRO 82 20.623 5.393 25.261 683 HG3 PRO 82 1HG PRO 82 20.525 6.560 23.921 684 HD2 PRO 82 2HD PRO 82 21.009 3.938 23.461 685 HD3 PRO 82 1HD PRO 82 21.759 5.205 22.464 686 H VAL 83 H VAL 83 22.349 3.291 25.790 687 HA VAL 83 HA VAL 83 23.356 3.301 28.573 688 HB VAL 83 HB VAL 83 20.943 3.567 28.672 689 HG11 VAL 83 1HG1 VAL 83 20.682 1.178 26.827 690 HG12 VAL 83 2HG1 VAL 83 20.136 2.833 26.533 691 HG13 VAL 83 3HG1 VAL 83 19.345 1.851 27.760 692 HG21 VAL 83 1HG2 VAL 83 21.668 0.698 29.358 693 HG22 VAL 83 2HG2 VAL 83 20.290 1.594 30.006 694 HG23 VAL 83 3HG2 VAL 83 21.934 2.115 30.378 695 H SER 84 H SER 84 25.239 2.335 27.844 696 HA SER 84 HA SER 84 25.334 -0.076 26.292 697 HB2 SER 84 1HB SER 84 27.165 1.638 26.289 698 HB3 SER 84 2HB SER 84 27.533 1.236 27.965 699 HG SER 84 HG SER 84 28.892 0.158 26.477 700 H LYS 85 H LYS 85 25.990 0.677 29.737 701 HA LYS 85 HA LYS 85 25.800 -2.180 30.462 702 HB2 LYS 85 1HB LYS 85 27.810 -0.983 31.244 703 HB3 LYS 85 2HB LYS 85 26.818 0.210 32.071 704 HG2 LYS 85 1HG LYS 85 25.970 -1.539 33.600 705 HG3 LYS 85 2HG LYS 85 26.931 -2.754 32.764 706 HD2 LYS 85 1HD LYS 85 28.178 -0.347 34.140 707 HD3 LYS 85 2HD LYS 85 27.849 -1.852 34.993 708 HE2 LYS 85 1HE LYS 85 29.310 -3.021 33.262 709 HE3 LYS 85 2HE LYS 85 29.782 -1.421 32.687 710 HZ1 LYS 85 1HZ LYS 85 30.172 -2.434 35.456 711 HZ2 LYS 85 2HZ LYS 85 30.651 -0.922 34.878 712 HZ3 LYS 85 3HZ LYS 85 31.370 -2.322 34.270 713 H ARG 86 H ARG 86 24.374 -2.897 32.030 714 HA ARG 86 HA ARG 86 22.498 -1.157 33.402 715 HB2 ARG 86 1HB ARG 86 20.477 -2.275 32.514 716 HB3 ARG 86 2HB ARG 86 21.373 -1.499 31.217 717 HG2 ARG 86 1HG ARG 86 22.296 -3.670 30.529 718 HG3 ARG 86 2HG ARG 86 21.439 -4.464 31.854 719 HD2 ARG 86 1HD ARG 86 20.245 -4.760 29.736 720 HD3 ARG 86 2HD ARG 86 19.288 -3.812 30.872 721 HE ARG 86 HE ARG 86 19.952 -1.813 29.602 722 HH11 ARG 86 1HH1 ARG 86 20.164 -4.926 27.936 723 HH12 ARG 86 2HH1 ARG 86 20.038 -4.209 26.360 724 HH21 ARG 86 1HH2 ARG 86 19.803 -0.913 27.542 725 HH22 ARG 86 2HH2 ARG 86 19.836 -1.933 26.141 726 H ARG 87 H ARG 87 20.940 -2.696 34.759 727 HA ARG 87 HA ARG 87 22.515 -4.619 36.201 728 HB2 ARG 87 1HB ARG 87 20.846 -3.244 37.378 729 HB3 ARG 87 2HB ARG 87 19.552 -3.912 36.396 730 HG2 ARG 87 1HG ARG 87 19.507 -4.890 38.628 731 HG3 ARG 87 2HG ARG 87 19.894 -6.128 37.436 732 HD2 ARG 87 1HD ARG 87 22.330 -5.869 38.080 733 HD3 ARG 87 2HD ARG 87 21.810 -4.778 39.374 734 HE ARG 87 HE ARG 87 20.386 -7.229 39.504 735 HH11 ARG 87 1HH1 ARG 87 23.582 -5.929 40.282 736 HH12 ARG 87 2HH1 ARG 87 23.887 -7.128 41.495 737 HH21 ARG 87 1HH2 ARG 87 20.852 -8.808 41.046 738 HH22 ARG 87 2HH2 ARG 87 22.341 -8.756 41.926 739 H ALA 88 H ALA 88 23.099 -5.975 34.461 740 HA ALA 88 HA ALA 88 21.500 -8.323 34.088 741 HB1 ALA 88 1HB ALA 88 20.429 -6.916 32.359 742 HB2 ALA 88 2HB ALA 88 21.354 -8.215 31.605 743 HB3 ALA 88 3HB ALA 88 22.005 -6.573 31.638 744 H ALA 89 H ALA 89 22.702 -9.926 32.774 745 HA ALA 89 HA ALA 89 25.544 -9.508 32.343 746 HB1 ALA 89 1HB ALA 89 26.253 -11.285 33.915 747 HB2 ALA 89 2HB ALA 89 24.594 -11.442 34.493 748 HB3 ALA 89 3HB ALA 89 25.480 -9.943 34.772 Start of MODEL 10 1 H1 MET 1 1H MET 1 6.277 -4.298 8.204 2 H2 MET 1 2H MET 1 6.927 -5.852 8.251 3 H3 MET 1 3H MET 1 5.359 -5.607 7.655 4 HA MET 1 HA MET 1 6.224 -4.322 5.815 5 HB2 MET 1 1HB MET 1 8.919 -5.034 7.054 6 HB3 MET 1 2HB MET 1 8.752 -4.458 5.398 7 HG2 MET 1 1HG MET 1 7.960 -2.928 7.888 8 HG3 MET 1 2HG MET 1 9.395 -2.637 6.899 9 HE1 MET 1 1HE MET 1 7.114 0.476 6.071 10 HE2 MET 1 2HE MET 1 8.696 -0.052 6.639 11 HE3 MET 1 3HE MET 1 7.264 -0.333 7.631 12 H ILE 2 H ILE 2 4.974 -5.976 4.933 13 HA ILE 2 HA ILE 2 6.476 -8.235 3.778 14 HB ILE 2 HB ILE 2 3.666 -8.500 4.991 15 HG12 ILE 2 1HG1 ILE 2 6.292 -9.794 5.875 16 HG13 ILE 2 2HG1 ILE 2 5.421 -8.535 6.740 17 HG21 ILE 2 1HG2 ILE 2 3.889 -9.819 2.911 18 HG22 ILE 2 2HG2 ILE 2 3.760 -10.878 4.312 19 HG23 ILE 2 3HG2 ILE 2 5.330 -10.612 3.553 20 HD11 ILE 2 1HD1 ILE 2 3.562 -10.092 7.102 21 HD12 ILE 2 2HD1 ILE 2 5.081 -10.668 7.783 22 HD13 ILE 2 3HD1 ILE 2 4.478 -11.356 6.276 23 H LEU 3 H LEU 3 6.330 -8.001 1.596 24 HA LEU 3 HA LEU 3 4.171 -6.409 0.420 25 HB2 LEU 3 1HB LEU 3 6.512 -5.961 -0.274 26 HB3 LEU 3 2HB LEU 3 6.689 -7.624 -0.803 27 HG LEU 3 HG LEU 3 4.945 -7.195 -2.577 28 HD11 LEU 3 1HD1 LEU 3 3.725 -5.337 -1.647 29 HD12 LEU 3 2HD1 LEU 3 4.409 -4.868 -3.196 30 HD13 LEU 3 3HD1 LEU 3 5.159 -4.308 -1.701 31 HD21 LEU 3 1HD2 LEU 3 6.423 -5.955 -4.098 32 HD22 LEU 3 2HD2 LEU 3 7.338 -7.112 -3.137 33 HD23 LEU 3 3HD2 LEU 3 7.389 -5.396 -2.728 34 H GLU 4 H GLU 4 2.337 -7.594 0.186 35 HA GLU 4 HA GLU 4 2.300 -10.336 -0.788 36 HB2 GLU 4 1HB GLU 4 0.040 -8.352 -0.293 37 HB3 GLU 4 2HB GLU 4 -0.203 -10.018 -0.767 38 HG2 GLU 4 1HG GLU 4 1.105 -9.101 1.800 39 HG3 GLU 4 2HG GLU 4 -0.570 -9.621 1.641 40 H ALA 5 H ALA 5 1.756 -10.975 -2.857 41 HA ALA 5 HA ALA 5 1.433 -8.889 -4.949 42 HB1 ALA 5 1HB ALA 5 3.577 -10.084 -5.160 43 HB2 ALA 5 2HB ALA 5 2.510 -10.472 -6.507 44 HB3 ALA 5 3HB ALA 5 2.732 -11.633 -5.196 45 H HIS 6 H HIS 6 -0.587 -8.865 -5.709 46 HA HIS 6 HA HIS 6 -2.436 -11.050 -5.170 47 HB2 HIS 6 1HB HIS 6 -3.072 -8.655 -4.800 48 HB3 HIS 6 2HB HIS 6 -2.920 -8.356 -6.531 49 HD1 HIS 6 HD1 HIS 6 -5.279 -9.501 -3.970 50 HD2 HIS 6 HD2 HIS 6 -4.958 -9.743 -8.102 51 HE1 HIS 6 HE1 HIS 6 -7.572 -10.087 -4.797 52 HE2 HIS 6 HE2 HIS 6 -7.387 -10.046 -7.288 53 H TYR 7 H TYR 7 -2.029 -12.743 -6.543 54 HA TYR 7 HA TYR 7 -2.269 -12.261 -9.456 55 HB2 TYR 7 2HB TYR 7 -0.333 -13.656 -8.825 56 HB3 TYR 7 1HB TYR 7 -1.379 -14.760 -7.934 57 HD1 TYR 7 1HD TYR 7 -2.185 -16.703 -9.057 58 HD2 TYR 7 2HD TYR 7 -0.872 -13.376 -11.391 59 HE1 TYR 7 1HE TYR 7 -2.512 -18.011 -11.113 60 HE2 TYR 7 2HE TYR 7 -1.193 -14.688 -13.439 61 HH TYR 7 HH TYR 7 -1.311 -17.040 -14.142 62 H THR 8 H THR 8 -3.498 -14.335 -6.821 63 HA THR 8 HA THR 8 -5.454 -15.675 -8.363 64 HB THR 8 HB THR 8 -6.311 -16.485 -6.117 65 HG1 THR 8 1HG THR 8 -5.765 -14.668 -4.859 66 HG21 THR 8 1HG2 THR 8 -4.280 -17.774 -5.542 67 HG22 THR 8 2HG2 THR 8 -3.305 -16.693 -6.539 68 HG23 THR 8 3HG2 THR 8 -4.527 -17.723 -7.288 69 H ASN 9 H ASN 9 -7.664 -15.389 -8.526 70 HA ASN 9 HA ASN 9 -8.636 -12.742 -8.535 71 HB2 ASN 9 1HB ASN 9 -10.802 -13.725 -9.270 72 HB3 ASN 9 2HB ASN 9 -9.438 -14.401 -10.149 73 HD21 ASN 9 1HD2 ASN 9 -9.948 -17.704 -9.015 74 HD22 ASN 9 2HD2 ASN 9 -8.862 -16.592 -9.766 75 H LEU 10 H LEU 10 -9.430 -11.561 -6.967 76 HA LEU 10 HA LEU 10 -11.054 -12.513 -4.772 77 HB2 LEU 10 1HB LEU 10 -8.617 -12.988 -4.112 78 HB3 LEU 10 2HB LEU 10 -8.339 -11.273 -4.120 79 HG LEU 10 HG LEU 10 -10.306 -12.645 -2.230 80 HD11 LEU 10 1HD1 LEU 10 -8.026 -13.464 -1.826 81 HD12 LEU 10 2HD1 LEU 10 -8.579 -12.450 -0.500 82 HD13 LEU 10 3HD1 LEU 10 -7.436 -11.805 -1.683 83 HD21 LEU 10 1HD2 LEU 10 -10.134 -10.586 -0.886 84 HD22 LEU 10 2HD2 LEU 10 -10.796 -10.249 -2.480 85 HD23 LEU 10 3HD2 LEU 10 -9.115 -9.846 -2.123 86 H LYS 11 H LYS 11 -12.343 -10.877 -4.171 87 HA LYS 11 HA LYS 11 -12.608 -8.578 -5.772 88 HB2 LYS 11 1HB LYS 11 -13.876 -9.244 -3.083 89 HB3 LYS 11 2HB LYS 11 -14.381 -7.911 -4.109 90 HG2 LYS 11 1HG LYS 11 -15.029 -9.492 -5.887 91 HG3 LYS 11 2HG LYS 11 -14.526 -10.849 -4.884 92 HD2 LYS 11 1HD LYS 11 -16.255 -10.261 -3.206 93 HD3 LYS 11 2HD LYS 11 -16.753 -8.892 -4.201 94 HE2 LYS 11 1HE LYS 11 -17.382 -10.487 -6.025 95 HE3 LYS 11 2HE LYS 11 -16.952 -11.829 -4.963 96 HZ1 LYS 11 1HZ LYS 11 -18.702 -11.209 -3.451 97 HZ2 LYS 11 2HZ LYS 11 -19.363 -11.326 -5.004 98 HZ3 LYS 11 3HZ LYS 11 -19.044 -9.806 -4.334 99 H CYS 12 H CYS 12 -10.833 -7.273 -5.799 100 HA CYS 12 HA CYS 12 -9.368 -6.429 -3.471 101 HB2 CYS 12 2HB CYS 12 -9.280 -5.179 -6.250 102 HB3 CYS 12 1HB CYS 12 -7.983 -5.240 -5.054 103 H ARG 13 H ARG 13 -10.477 -5.162 -2.006 104 HA ARG 13 HA ARG 13 -12.400 -3.165 -2.945 105 HB2 ARG 13 1HB ARG 13 -13.185 -4.509 -1.105 106 HB3 ARG 13 2HB ARG 13 -11.746 -4.166 -0.149 107 HG2 ARG 13 1HG ARG 13 -12.452 -1.975 0.378 108 HG3 ARG 13 2HG ARG 13 -13.564 -1.898 -0.986 109 HD2 ARG 13 1HD ARG 13 -13.999 -3.733 1.390 110 HD3 ARG 13 2HD ARG 13 -14.641 -2.089 1.302 111 HE ARG 13 HE ARG 13 -15.303 -3.818 -0.936 112 HH11 ARG 13 1HH1 ARG 13 -16.424 -2.555 2.180 113 HH12 ARG 13 2HH1 ARG 13 -18.095 -2.920 1.845 114 HH21 ARG 13 1HH2 ARG 13 -17.449 -4.290 -1.337 115 HH22 ARG 13 2HH2 ARG 13 -18.677 -3.908 -0.161 116 H CYS 14 H CYS 14 -10.994 -1.749 -3.924 117 HA CYS 14 HA CYS 14 -10.129 0.335 -2.034 118 HB2 CYS 14 2HB CYS 14 -8.692 -0.470 -4.597 119 HB3 CYS 14 1HB CYS 14 -8.328 0.977 -3.657 120 H SER 15 H SER 15 -12.016 1.458 -2.221 121 HA SER 15 HA SER 15 -13.332 1.983 -4.760 122 HB2 SER 15 1HB SER 15 -13.965 3.009 -1.956 123 HB3 SER 15 2HB SER 15 -15.034 3.090 -3.353 124 HG SER 15 HG SER 15 -14.739 0.687 -3.387 125 H GLY 16 H GLY 16 -10.722 3.348 -3.215 126 HA2 GLY 16 1HA GLY 16 -10.484 5.530 -4.994 127 HA3 GLY 16 2HA GLY 16 -10.988 6.108 -3.404 128 H VAL 17 H VAL 17 -8.479 6.762 -4.595 129 HA VAL 17 HA VAL 17 -6.547 5.307 -2.884 130 HB VAL 17 HB VAL 17 -4.743 6.246 -4.273 131 HG11 VAL 17 1HG1 VAL 17 -6.860 4.862 -5.958 132 HG12 VAL 17 2HG1 VAL 17 -5.668 4.079 -4.919 133 HG13 VAL 17 3HG1 VAL 17 -5.139 4.968 -6.346 134 HG21 VAL 17 1HG2 VAL 17 -5.737 8.380 -4.972 135 HG22 VAL 17 2HG2 VAL 17 -6.900 7.535 -5.992 136 HG23 VAL 17 3HG2 VAL 17 -5.180 7.473 -6.377 137 H ILE 18 H ILE 18 -5.463 6.374 -1.312 138 HA ILE 18 HA ILE 18 -6.361 9.107 -0.613 139 HB ILE 18 HB ILE 18 -5.316 6.963 1.322 140 HG12 ILE 18 1HG1 ILE 18 -8.235 7.620 0.682 141 HG13 ILE 18 2HG1 ILE 18 -7.400 6.142 0.230 142 HG21 ILE 18 1HG2 ILE 18 -6.905 9.505 1.866 143 HG22 ILE 18 2HG2 ILE 18 -5.178 9.309 2.133 144 HG23 ILE 18 3HG2 ILE 18 -6.318 8.364 3.078 145 HD11 ILE 18 1HD1 ILE 18 -8.826 5.724 2.101 146 HD12 ILE 18 2HD1 ILE 18 -8.096 7.035 3.022 147 HD13 ILE 18 3HD1 ILE 18 -7.149 5.596 2.633 148 H SER 19 H SER 19 -4.770 10.612 -0.636 149 HA SER 19 HA SER 19 -2.142 9.817 -1.588 150 HB2 SER 19 1HB SER 19 -3.323 12.597 -1.209 151 HB3 SER 19 2HB SER 19 -1.876 12.192 -2.141 152 HG SER 19 HG SER 19 -4.495 11.205 -2.678 153 H THR 20 H THR 20 -3.283 10.012 1.433 154 HA THR 20 HA THR 20 -1.414 11.682 2.804 155 HB THR 20 HB THR 20 -2.259 10.506 4.873 156 HG1 THR 20 1HG THR 20 -2.701 8.469 3.661 157 HG21 THR 20 1HG2 THR 20 -3.482 12.475 4.019 158 HG22 THR 20 2HG2 THR 20 -4.584 11.302 4.738 159 HG23 THR 20 3HG2 THR 20 -4.457 11.425 2.985 160 H VAL 21 H VAL 21 0.639 11.234 3.372 161 HA VAL 21 HA VAL 21 1.925 8.734 2.781 162 HB VAL 21 HB VAL 21 2.995 11.102 4.408 163 HG11 VAL 21 1HG1 VAL 21 4.512 8.822 3.091 164 HG12 VAL 21 2HG1 VAL 21 4.270 9.041 4.822 165 HG13 VAL 21 3HG1 VAL 21 5.243 10.202 3.917 166 HG21 VAL 21 1HG2 VAL 21 4.143 11.795 2.310 167 HG22 VAL 21 2HG2 VAL 21 2.389 11.838 2.151 168 HG23 VAL 21 3HG2 VAL 21 3.301 10.508 1.441 169 H VAL 22 H VAL 22 1.469 7.005 3.992 170 HA VAL 22 HA VAL 22 0.603 7.228 6.760 171 HB VAL 22 HB VAL 22 0.926 4.716 5.040 172 HG11 VAL 22 1HG1 VAL 22 -0.647 5.123 7.604 173 HG12 VAL 22 2HG1 VAL 22 0.850 4.204 7.443 174 HG13 VAL 22 3HG1 VAL 22 -0.616 3.646 6.636 175 HG21 VAL 22 1HG2 VAL 22 -1.565 6.387 5.491 176 HG22 VAL 22 2HG2 VAL 22 -1.493 4.856 4.614 177 HG23 VAL 22 3HG2 VAL 22 -0.647 6.272 3.987 178 H GLY 23 H GLY 23 1.731 6.366 8.537 179 HA2 GLY 23 1HA GLY 23 4.552 6.764 8.461 180 HA3 GLY 23 2HA GLY 23 3.603 6.262 9.846 181 H LEU 24 H LEU 24 6.198 5.378 8.298 182 HA LEU 24 HA LEU 24 5.848 2.737 7.376 183 HB2 LEU 24 1HB LEU 24 8.282 4.310 8.238 184 HB3 LEU 24 2HB LEU 24 8.430 2.617 7.807 185 HG LEU 24 HG LEU 24 7.586 3.121 5.524 186 HD11 LEU 24 1HD1 LEU 24 6.209 5.085 5.923 187 HD12 LEU 24 2HD1 LEU 24 7.424 5.421 4.695 188 HD13 LEU 24 3HD1 LEU 24 7.638 6.040 6.334 189 HD21 LEU 24 1HD2 LEU 24 9.612 4.240 4.701 190 HD22 LEU 24 2HD2 LEU 24 9.994 3.057 5.948 191 HD23 LEU 24 3HD2 LEU 24 9.993 4.777 6.340 192 H ASN 25 H ASN 25 6.192 3.970 10.581 193 HA ASN 25 HA ASN 25 7.019 1.579 11.916 194 HB2 ASN 25 1HB ASN 25 7.322 3.861 12.884 195 HB3 ASN 25 2HB ASN 25 5.581 4.041 13.020 196 HD21 ASN 25 1HD2 ASN 25 5.310 2.168 15.990 197 HD22 ASN 25 2HD2 ASN 25 4.483 2.889 14.656 198 H ILE 26 H ILE 26 3.853 2.929 11.008 199 HA ILE 26 HA ILE 26 2.436 0.774 12.449 200 HB ILE 26 HB ILE 26 0.325 1.956 11.972 201 HG12 ILE 26 1HG1 ILE 26 2.036 4.096 10.613 202 HG13 ILE 26 2HG1 ILE 26 0.951 2.988 9.790 203 HG21 ILE 26 1HG2 ILE 26 0.670 3.908 13.437 204 HG22 ILE 26 2HG2 ILE 26 2.414 3.782 13.204 205 HG23 ILE 26 3HG2 ILE 26 1.542 2.493 14.035 206 HD11 ILE 26 1HD1 ILE 26 -0.956 4.031 10.852 207 HD12 ILE 26 2HD1 ILE 26 0.020 5.228 10.009 208 HD13 ILE 26 3HD1 ILE 26 0.105 5.103 11.765 209 H ILE 27 H ILE 27 3.468 1.559 9.234 210 HA ILE 27 HA ILE 27 1.586 -0.092 7.815 211 HB ILE 27 HB ILE 27 4.381 0.822 7.008 212 HG12 ILE 27 1HG1 ILE 27 1.652 1.863 6.139 213 HG13 ILE 27 2HG1 ILE 27 2.688 2.637 7.329 214 HG21 ILE 27 1HG2 ILE 27 2.261 -0.495 5.265 215 HG22 ILE 27 2HG2 ILE 27 3.797 -1.214 5.751 216 HG23 ILE 27 3HG2 ILE 27 3.781 0.191 4.689 217 HD11 ILE 27 1HD1 ILE 27 3.202 2.313 4.387 218 HD12 ILE 27 2HD1 ILE 27 4.410 2.887 5.542 219 HD13 ILE 27 3HD1 ILE 27 2.928 3.793 5.301 220 H ASP 28 H ASP 28 1.494 -2.260 7.806 221 HA ASP 28 HA ASP 28 3.951 -3.822 8.409 222 HB2 ASP 28 1HB ASP 28 2.236 -4.095 10.154 223 HB3 ASP 28 2HB ASP 28 1.072 -4.633 8.957 224 H ARG 29 H ARG 29 0.973 -3.731 6.398 225 HA ARG 29 HA ARG 29 2.148 -5.855 4.670 226 HB2 ARG 29 1HB ARG 29 -0.809 -5.522 5.376 227 HB3 ARG 29 2HB ARG 29 -0.093 -6.808 4.408 228 HG2 ARG 29 1HG ARG 29 0.956 -7.806 6.294 229 HG3 ARG 29 2HG ARG 29 0.707 -6.373 7.286 230 HD2 ARG 29 1HD ARG 29 -1.797 -6.837 7.102 231 HD3 ARG 29 2HD ARG 29 -1.352 -8.404 6.412 232 HE ARG 29 HE ARG 29 0.106 -8.311 8.699 233 HH11 ARG 29 1HH1 ARG 29 -3.333 -7.869 8.061 234 HH12 ARG 29 2HH1 ARG 29 -3.815 -8.457 9.630 235 HH21 ARG 29 1HH2 ARG 29 -0.546 -9.092 10.738 236 HH22 ARG 29 2HH2 ARG 29 -2.231 -9.151 11.144 237 H ILE 30 H ILE 30 2.364 -5.247 2.633 238 HA ILE 30 HA ILE 30 0.665 -3.125 1.446 239 HB ILE 30 HB ILE 30 3.674 -3.592 1.051 240 HG12 ILE 30 1HG1 ILE 30 2.149 -1.195 2.174 241 HG13 ILE 30 2HG1 ILE 30 3.137 -2.320 3.095 242 HG21 ILE 30 1HG2 ILE 30 3.663 -1.744 -0.576 243 HG22 ILE 30 2HG2 ILE 30 1.912 -1.599 -0.429 244 HG23 ILE 30 3HG2 ILE 30 2.620 -3.056 -1.123 245 HD11 ILE 30 1HD1 ILE 30 4.112 -0.359 1.030 246 HD12 ILE 30 2HD1 ILE 30 5.125 -1.541 1.867 247 HD13 ILE 30 3HD1 ILE 30 4.309 -0.273 2.778 248 H GLN 31 H GLN 31 -0.642 -4.218 0.048 249 HA GLN 31 HA GLN 31 0.449 -6.459 -1.525 250 HB2 GLN 31 1HB GLN 31 -1.562 -6.974 -0.220 251 HB3 GLN 31 2HB GLN 31 -2.424 -5.624 -0.948 252 HG2 GLN 31 1HG GLN 31 -2.571 -6.721 -3.060 253 HG3 GLN 31 2HG GLN 31 -1.386 -7.946 -2.608 254 HE21 GLN 31 1HE2 GLN 31 -3.964 -9.365 -0.255 255 HE22 GLN 31 2HE2 GLN 31 -2.475 -8.532 -0.000 256 H VAL 32 H VAL 32 1.002 -6.046 -3.551 257 HA VAL 32 HA VAL 32 -0.019 -3.726 -4.983 258 HB VAL 32 HB VAL 32 1.443 -4.468 -6.878 259 HG11 VAL 32 1HG1 VAL 32 2.897 -4.248 -4.215 260 HG12 VAL 32 2HG1 VAL 32 2.329 -2.909 -5.208 261 HG13 VAL 32 3HG1 VAL 32 3.608 -3.961 -5.807 262 HG21 VAL 32 1HG2 VAL 32 3.062 -6.289 -6.613 263 HG22 VAL 32 2HG2 VAL 32 1.421 -6.917 -6.484 264 HG23 VAL 32 3HG2 VAL 32 2.397 -6.698 -5.032 265 H THR 33 H THR 33 -1.840 -3.776 -6.055 266 HA THR 33 HA THR 33 -3.063 -6.340 -6.861 267 HB THR 33 HB THR 33 -5.241 -5.022 -6.819 268 HG1 THR 33 1HG THR 33 -4.236 -2.910 -6.900 269 HG21 THR 33 1HG2 THR 33 -3.757 -5.161 -4.173 270 HG22 THR 33 2HG2 THR 33 -4.641 -6.489 -4.928 271 HG23 THR 33 3HG2 THR 33 -5.507 -5.054 -4.375 272 HA PRO 34 HA PRO 34 -1.999 -4.437 -10.976 273 HB2 PRO 34 2HB PRO 34 -1.851 -7.274 -11.890 274 HB3 PRO 34 1HB PRO 34 -0.594 -6.020 -11.917 275 HG2 PRO 34 2HG PRO 34 -0.436 -8.123 -10.256 276 HG3 PRO 34 1HG PRO 34 0.155 -6.513 -9.779 277 HD2 PRO 34 2HD PRO 34 -2.475 -7.833 -9.094 278 HD3 PRO 34 1HD PRO 34 -1.324 -6.991 -8.032 279 HA PRO 35 HA PRO 35 -6.073 -5.022 -12.809 280 HB2 PRO 35 2HB PRO 35 -5.683 -4.266 -15.379 281 HB3 PRO 35 1HB PRO 35 -5.479 -3.106 -14.056 282 HG2 PRO 35 2HG PRO 35 -3.387 -4.652 -15.548 283 HG3 PRO 35 1HG PRO 35 -3.421 -2.923 -15.127 284 HD2 PRO 35 2HD PRO 35 -2.040 -4.777 -13.657 285 HD3 PRO 35 1HD PRO 35 -2.722 -3.297 -12.954 286 H GLY 36 H GLY 36 -6.919 -5.996 -15.225 287 HA2 GLY 36 1HA GLY 36 -7.016 -7.811 -16.673 288 HA3 GLY 36 2HA GLY 36 -5.580 -8.490 -15.924 289 H ASN 37 H ASN 37 -6.040 -10.417 -15.048 290 HA ASN 37 HA ASN 37 -8.700 -11.140 -14.103 291 HB2 ASN 37 1HB ASN 37 -6.074 -12.691 -14.198 292 HB3 ASN 37 2HB ASN 37 -7.580 -13.369 -13.588 293 HD21 ASN 37 1HD2 ASN 37 -6.920 -14.106 -17.262 294 HD22 ASN 37 2HD2 ASN 37 -5.838 -14.045 -15.918 295 H GLY 38 H GLY 38 -5.992 -9.656 -12.736 296 HA2 GLY 38 1HA GLY 38 -6.055 -10.707 -10.064 297 HA3 GLY 38 2HA GLY 38 -5.216 -9.264 -10.616 298 H CYS 39 H CYS 39 -6.447 -7.285 -10.863 299 HA CYS 39 HA CYS 39 -8.888 -7.105 -9.205 300 HB2 CYS 39 2HB CYS 39 -6.499 -5.216 -9.162 301 HB3 CYS 39 1HB CYS 39 -7.981 -5.010 -8.224 302 HA PRO 40 HA PRO 40 -10.754 -4.623 -12.527 303 HB2 PRO 40 2HB PRO 40 -11.370 -2.433 -10.547 304 HB3 PRO 40 1HB PRO 40 -12.463 -3.310 -11.637 305 HG2 PRO 40 2HG PRO 40 -12.480 -3.836 -9.043 306 HG3 PRO 40 1HG PRO 40 -12.610 -5.167 -10.222 307 HD2 PRO 40 2HD PRO 40 -10.205 -4.268 -8.639 308 HD3 PRO 40 1HD PRO 40 -10.782 -5.913 -8.977 309 H LYS 41 H LYS 41 -8.662 -2.793 -10.323 310 HA LYS 41 HA LYS 41 -7.658 -1.110 -12.555 311 HB2 LYS 41 1HB LYS 41 -8.217 -0.242 -9.689 312 HB3 LYS 41 2HB LYS 41 -7.438 0.756 -10.904 313 HG2 LYS 41 1HG LYS 41 -9.423 1.057 -12.143 314 HG3 LYS 41 2HG LYS 41 -10.230 -0.307 -11.379 315 HD2 LYS 41 1HD LYS 41 -9.425 2.126 -9.760 316 HD3 LYS 41 2HD LYS 41 -10.919 2.111 -10.689 317 HE2 LYS 41 1HE LYS 41 -11.945 0.580 -9.302 318 HE3 LYS 41 2HE LYS 41 -10.438 -0.205 -8.839 319 HZ1 LYS 41 1HZ LYS 41 -11.179 2.531 -7.940 320 HZ2 LYS 41 2HZ LYS 41 -9.944 1.542 -7.321 321 HZ3 LYS 41 3HZ LYS 41 -11.561 1.140 -7.067 322 H THR 42 H THR 42 -5.483 -0.197 -12.108 323 HA THR 42 HA THR 42 -3.709 -1.997 -10.614 324 HB THR 42 HB THR 42 -2.838 0.567 -12.030 325 HG1 THR 42 1HG THR 42 -4.104 -1.472 -13.183 326 HG21 THR 42 1HG2 THR 42 -1.128 -0.676 -10.668 327 HG22 THR 42 2HG2 THR 42 -0.721 -0.657 -12.385 328 HG23 THR 42 3HG2 THR 42 -1.412 -2.105 -11.654 329 H GLU 43 H GLU 43 -3.548 -1.620 -8.464 330 HA GLU 43 HA GLU 43 -3.261 1.053 -7.316 331 HB2 GLU 43 1HB GLU 43 -5.563 -0.831 -6.547 332 HB3 GLU 43 2HB GLU 43 -5.050 0.525 -5.548 333 HG2 GLU 43 1HG GLU 43 -5.661 2.099 -7.353 334 HG3 GLU 43 2HG GLU 43 -6.134 0.742 -8.370 335 H VAL 44 H VAL 44 -2.816 0.761 -4.853 336 HA VAL 44 HA VAL 44 -1.614 -1.854 -4.182 337 HB VAL 44 HB VAL 44 -0.356 0.888 -3.613 338 HG11 VAL 44 1HG1 VAL 44 0.553 -1.875 -2.732 339 HG12 VAL 44 2HG1 VAL 44 -0.035 -0.578 -1.691 340 HG13 VAL 44 3HG1 VAL 44 1.488 -0.392 -2.553 341 HG21 VAL 44 1HG2 VAL 44 1.555 -0.012 -4.982 342 HG22 VAL 44 2HG2 VAL 44 0.072 0.210 -5.903 343 HG23 VAL 44 3HG2 VAL 44 0.557 -1.401 -5.391 344 H VAL 45 H VAL 45 -2.488 -2.628 -2.361 345 HA VAL 45 HA VAL 45 -4.107 -0.947 -0.577 346 HB VAL 45 HB VAL 45 -3.730 -3.993 -0.474 347 HG11 VAL 45 1HG1 VAL 45 -4.588 -3.032 1.615 348 HG12 VAL 45 2HG1 VAL 45 -5.822 -4.002 0.814 349 HG13 VAL 45 3HG1 VAL 45 -5.897 -2.239 0.731 350 HG21 VAL 45 1HG2 VAL 45 -4.677 -3.436 -2.661 351 HG22 VAL 45 2HG2 VAL 45 -5.930 -2.460 -1.901 352 HG23 VAL 45 3HG2 VAL 45 -5.897 -4.203 -1.648 353 H ILE 46 H ILE 46 -3.588 -0.662 1.619 354 HA ILE 46 HA ILE 46 -1.065 -1.806 2.680 355 HB ILE 46 HB ILE 46 -2.010 1.091 3.081 356 HG12 ILE 46 1HG1 ILE 46 0.442 0.049 1.585 357 HG13 ILE 46 2HG1 ILE 46 -0.988 0.755 0.846 358 HG21 ILE 46 1HG2 ILE 46 0.086 1.413 4.381 359 HG22 ILE 46 2HG2 ILE 46 0.448 -0.306 4.222 360 HG23 ILE 46 3HG2 ILE 46 -0.970 0.215 5.131 361 HD11 ILE 46 1HD1 ILE 46 0.722 2.375 0.845 362 HD12 ILE 46 2HD1 ILE 46 1.056 2.145 2.556 363 HD13 ILE 46 3HD1 ILE 46 -0.463 2.885 2.040 364 H TRP 47 H TRP 47 -1.777 -3.135 4.317 365 HA TRP 47 HA TRP 47 -3.873 -2.214 6.161 366 HB2 TRP 47 2HB TRP 47 -2.253 -4.802 6.072 367 HB3 TRP 47 1HB TRP 47 -3.452 -4.431 7.311 368 HD1 TRP 47 1HD TRP 47 -6.036 -4.493 6.579 369 HE1 TRP 47 1HE TRP 47 -7.233 -5.588 4.585 370 HE3 TRP 47 3HE TRP 47 -1.998 -5.372 3.574 371 HZ2 TRP 47 2HZ TRP 47 -6.570 -6.712 2.091 372 HZ3 TRP 47 3HZ TRP 47 -2.359 -6.474 1.410 373 HH2 TRP 47 2HH TRP 47 -4.596 -7.129 0.676 374 H THR 48 H THR 48 -3.363 -1.021 7.843 375 HA THR 48 HA THR 48 -0.654 -0.734 8.875 376 HB THR 48 HB THR 48 -1.822 0.773 10.589 377 HG1 THR 48 1HG THR 48 -4.139 0.791 9.037 378 HG21 THR 48 1HG2 THR 48 -2.377 2.571 8.989 379 HG22 THR 48 2HG2 THR 48 -2.433 1.399 7.671 380 HG23 THR 48 3HG2 THR 48 -0.904 1.734 8.487 381 H LYS 49 H LYS 49 -0.456 -0.893 11.388 382 HA LYS 49 HA LYS 49 -0.920 -3.598 12.228 383 HB2 LYS 49 1HB LYS 49 0.188 -1.200 13.765 384 HB3 LYS 49 2HB LYS 49 0.192 -2.854 14.371 385 HG2 LYS 49 1HG LYS 49 1.627 -3.519 12.448 386 HG3 LYS 49 2HG LYS 49 1.674 -1.828 11.936 387 HD2 LYS 49 1HD LYS 49 3.711 -2.340 13.168 388 HD3 LYS 49 2HD LYS 49 2.724 -1.230 14.118 389 HE2 LYS 49 1HE LYS 49 1.899 -3.154 15.461 390 HE3 LYS 49 2HE LYS 49 2.941 -4.229 14.532 391 HZ1 LYS 49 1HZ LYS 49 3.882 -1.980 16.244 392 HZ2 LYS 49 2HZ LYS 49 4.868 -3.020 15.344 393 HZ3 LYS 49 3HZ LYS 49 3.956 -3.626 16.632 394 H MET 50 H MET 50 -2.645 -0.652 12.533 395 HA MET 50 HA MET 50 -4.443 -1.478 14.675 396 HB2 MET 50 1HB MET 50 -4.516 0.883 12.742 397 HB3 MET 50 2HB MET 50 -5.634 0.660 14.079 398 HG2 MET 50 1HG MET 50 -3.871 0.939 15.699 399 HG3 MET 50 2HG MET 50 -2.642 0.903 14.439 400 HE1 MET 50 1HE MET 50 -3.843 2.782 12.151 401 HE2 MET 50 2HE MET 50 -2.181 2.854 12.734 402 HE3 MET 50 3HE MET 50 -3.144 4.327 12.634 403 H LYS 51 H LYS 51 -4.046 -2.382 11.523 404 HA LYS 51 HA LYS 51 -5.097 -3.918 10.256 405 HB2 LYS 51 1HB LYS 51 -7.357 -3.781 12.296 406 HB3 LYS 51 2HB LYS 51 -7.284 -4.928 10.962 407 HG2 LYS 51 1HG LYS 51 -5.276 -5.959 11.912 408 HG3 LYS 51 2HG LYS 51 -5.241 -4.746 13.194 409 HD2 LYS 51 1HD LYS 51 -6.167 -6.850 14.046 410 HD3 LYS 51 2HD LYS 51 -7.401 -5.591 14.063 411 HE2 LYS 51 1HE LYS 51 -8.368 -6.502 11.986 412 HE3 LYS 51 2HE LYS 51 -7.128 -7.758 11.950 413 HZ1 LYS 51 1HZ LYS 51 -9.230 -8.556 12.890 414 HZ2 LYS 51 2HZ LYS 51 -9.131 -7.404 14.122 415 HZ3 LYS 51 3HZ LYS 51 -7.980 -8.634 14.025 416 H LYS 52 H LYS 52 -5.701 -0.835 10.273 417 HA LYS 52 HA LYS 52 -8.173 -0.660 8.793 418 HB2 LYS 52 1HB LYS 52 -6.102 1.363 9.661 419 HB3 LYS 52 2HB LYS 52 -7.206 1.797 8.359 420 HG2 LYS 52 1HG LYS 52 -8.038 2.595 10.534 421 HG3 LYS 52 2HG LYS 52 -9.143 1.421 9.819 422 HD2 LYS 52 1HD LYS 52 -8.134 -0.341 11.296 423 HD3 LYS 52 2HD LYS 52 -7.160 0.911 12.064 424 HE2 LYS 52 1HE LYS 52 -9.197 2.026 12.874 425 HE3 LYS 52 2HE LYS 52 -10.201 0.834 12.043 426 HZ1 LYS 52 1HZ LYS 52 -9.203 -0.895 13.426 427 HZ2 LYS 52 2HZ LYS 52 -9.987 0.270 14.369 428 HZ3 LYS 52 3HZ LYS 52 -8.299 0.270 14.253 429 H VAL 53 H VAL 53 -8.521 -0.548 6.709 430 HA VAL 53 HA VAL 53 -6.424 -1.355 4.837 431 HB VAL 53 HB VAL 53 -9.444 -1.104 4.359 432 HG11 VAL 53 1HG1 VAL 53 -8.113 -1.153 2.293 433 HG12 VAL 53 2HG1 VAL 53 -9.093 -2.610 2.456 434 HG13 VAL 53 3HG1 VAL 53 -7.365 -2.668 2.803 435 HG21 VAL 53 1HG2 VAL 53 -9.041 -2.696 6.196 436 HG22 VAL 53 2HG2 VAL 53 -7.926 -3.602 5.177 437 HG23 VAL 53 3HG2 VAL 53 -9.636 -3.526 4.756 438 H ILE 54 H ILE 54 -5.305 0.416 4.184 439 HA ILE 54 HA ILE 54 -6.718 2.820 3.169 440 HB ILE 54 HB ILE 54 -3.805 2.547 4.088 441 HG12 ILE 54 1HG1 ILE 54 -6.097 4.022 5.474 442 HG13 ILE 54 2HG1 ILE 54 -5.475 2.455 5.973 443 HG21 ILE 54 1HG2 ILE 54 -4.046 4.220 2.293 444 HG22 ILE 54 2HG2 ILE 54 -3.670 5.010 3.822 445 HG23 ILE 54 3HG2 ILE 54 -5.321 5.040 3.200 446 HD11 ILE 54 1HD1 ILE 54 -3.973 5.066 6.010 447 HD12 ILE 54 2HD1 ILE 54 -3.301 3.496 6.458 448 HD13 ILE 54 3HD1 ILE 54 -4.626 4.191 7.394 449 H CYS 55 H CYS 55 -6.728 2.923 0.959 450 HA CYS 55 HA CYS 55 -4.787 1.298 -0.582 451 HB2 CYS 55 2HB CYS 55 -7.529 2.403 -1.351 452 HB3 CYS 55 1HB CYS 55 -6.447 1.549 -2.454 453 H VAL 56 H VAL 56 -3.563 2.248 -2.095 454 HA VAL 56 HA VAL 56 -3.526 5.169 -2.456 455 HB VAL 56 HB VAL 56 -1.051 5.198 -2.158 456 HG11 VAL 56 1HG1 VAL 56 -0.946 4.908 0.328 457 HG12 VAL 56 2HG1 VAL 56 -2.547 4.173 0.282 458 HG13 VAL 56 3HG1 VAL 56 -2.333 5.851 -0.216 459 HG21 VAL 56 1HG2 VAL 56 0.172 3.304 -1.188 460 HG22 VAL 56 2HG2 VAL 56 -0.575 2.828 -2.712 461 HG23 VAL 56 3HG2 VAL 56 -1.291 2.320 -1.183 462 H ASN 57 H ASN 57 -2.077 5.762 -4.328 463 HA ASN 57 HA ASN 57 -2.368 3.895 -6.548 464 HB2 ASN 57 1HB ASN 57 -1.540 5.743 -7.957 465 HB3 ASN 57 2HB ASN 57 -2.827 6.308 -6.900 466 HD21 ASN 57 1HD2 ASN 57 0.111 8.699 -7.029 467 HD22 ASN 57 2HD2 ASN 57 -0.760 7.861 -8.264 468 HA PRO 58 HA PRO 58 1.819 2.159 -6.311 469 HB2 PRO 58 2HB PRO 58 2.309 1.623 -8.976 470 HB3 PRO 58 1HB PRO 58 1.225 0.640 -7.972 471 HG2 PRO 58 2HG PRO 58 0.519 2.849 -9.878 472 HG3 PRO 58 1HG PRO 58 -0.214 1.239 -9.698 473 HD2 PRO 58 2HD PRO 58 -1.382 3.387 -8.608 474 HD3 PRO 58 1HD PRO 58 -1.377 1.826 -7.758 475 H ARG 59 H ARG 59 1.046 4.975 -8.159 476 HA ARG 59 HA ARG 59 3.815 5.692 -8.763 477 HB2 ARG 59 1HB ARG 59 1.248 7.207 -9.385 478 HB3 ARG 59 2HB ARG 59 2.843 7.548 -10.034 479 HG2 ARG 59 1HG ARG 59 2.734 5.171 -11.062 480 HG3 ARG 59 2HG ARG 59 1.015 5.226 -10.675 481 HD2 ARG 59 1HD ARG 59 1.372 5.904 -12.995 482 HD3 ARG 59 2HD ARG 59 0.795 7.292 -12.059 483 HE ARG 59 HE ARG 59 3.682 6.978 -12.337 484 HH11 ARG 59 1HH1 ARG 59 0.823 8.663 -13.555 485 HH12 ARG 59 2HH1 ARG 59 1.756 9.933 -14.292 486 HH21 ARG 59 1HH2 ARG 59 4.877 8.640 -13.267 487 HH22 ARG 59 2HH2 ARG 59 4.076 9.926 -14.129 488 H ALA 60 H ALA 60 2.261 5.802 -5.945 489 HA ALA 60 HA ALA 60 2.732 8.487 -5.070 490 HB1 ALA 60 1HB ALA 60 1.185 7.063 -3.831 491 HB2 ALA 60 2HB ALA 60 2.510 7.549 -2.771 492 HB3 ALA 60 3HB ALA 60 2.475 5.925 -3.455 493 H LYS 61 H LYS 61 4.631 9.428 -4.735 494 HA LYS 61 HA LYS 61 7.072 8.272 -5.469 495 HB2 LYS 61 1HB LYS 61 8.091 10.425 -4.624 496 HB3 LYS 61 2HB LYS 61 6.754 10.635 -5.748 497 HG2 LYS 61 1HG LYS 61 5.235 11.187 -3.934 498 HG3 LYS 61 2HG LYS 61 6.482 10.844 -2.735 499 HD2 LYS 61 1HD LYS 61 7.824 12.740 -3.571 500 HD3 LYS 61 2HD LYS 61 6.608 13.070 -4.807 501 HE2 LYS 61 1HE LYS 61 4.965 13.637 -3.098 502 HE3 LYS 61 2HE LYS 61 6.091 13.182 -1.815 503 HZ1 LYS 61 1HZ LYS 61 7.581 14.974 -2.614 504 HZ2 LYS 61 2HZ LYS 61 6.097 15.549 -2.056 505 HZ3 LYS 61 3HZ LYS 61 6.388 15.447 -3.715 506 H TRP 62 H TRP 62 5.847 9.024 -2.220 507 HA TRP 62 HA TRP 62 8.133 8.264 -0.733 508 HB2 TRP 62 2HB TRP 62 6.594 8.243 1.231 509 HB3 TRP 62 1HB TRP 62 6.376 9.678 0.239 510 HD1 TRP 62 1HD TRP 62 4.050 9.790 -1.263 511 HE1 TRP 62 1HE TRP 62 1.758 8.701 -0.865 512 HE3 TRP 62 3HE TRP 62 5.391 6.215 2.162 513 HZ2 TRP 62 2HZ TRP 62 0.658 6.652 0.682 514 HZ3 TRP 62 3HZ TRP 62 3.642 4.732 3.048 515 HH2 TRP 62 2HH TRP 62 1.318 4.940 2.323 516 H LEU 63 H LEU 63 5.254 6.523 -1.755 517 HA LEU 63 HA LEU 63 5.553 4.082 -0.447 518 HB2 LEU 63 1HB LEU 63 3.506 4.800 -1.581 519 HB3 LEU 63 2HB LEU 63 4.325 4.742 -3.130 520 HG LEU 63 HG LEU 63 4.609 2.227 -2.759 521 HD11 LEU 63 1HD1 LEU 63 3.035 1.125 -1.231 522 HD12 LEU 63 2HD1 LEU 63 2.603 2.695 -0.555 523 HD13 LEU 63 3HD1 LEU 63 4.246 2.080 -0.378 524 HD21 LEU 63 1HD2 LEU 63 3.033 3.045 -4.367 525 HD22 LEU 63 2HD2 LEU 63 1.844 3.400 -3.118 526 HD23 LEU 63 3HD2 LEU 63 2.279 1.737 -3.473 527 H GLN 64 H GLN 64 6.947 5.277 -3.462 528 HA GLN 64 HA GLN 64 7.982 2.935 -4.535 529 HB2 GLN 64 1HB GLN 64 8.886 5.819 -4.695 530 HB3 GLN 64 2HB GLN 64 9.782 4.544 -5.523 531 HG2 GLN 64 1HG GLN 64 6.829 5.116 -5.947 532 HG3 GLN 64 2HG GLN 64 8.133 5.704 -6.980 533 HE21 GLN 64 1HE2 GLN 64 6.573 2.412 -8.164 534 HE22 GLN 64 2HE2 GLN 64 5.841 3.825 -7.494 535 H ARG 65 H ARG 65 9.497 5.133 -2.149 536 HA ARG 65 HA ARG 65 11.962 3.785 -1.844 537 HB2 ARG 65 1HB ARG 65 10.383 5.511 0.108 538 HB3 ARG 65 2HB ARG 65 12.002 4.908 0.457 539 HG2 ARG 65 1HG ARG 65 12.862 6.121 -1.536 540 HG3 ARG 65 2HG ARG 65 11.244 6.776 -1.807 541 HD2 ARG 65 1HD ARG 65 12.753 8.374 -0.632 542 HD3 ARG 65 2HD ARG 65 11.316 7.972 0.312 543 HE ARG 65 HE ARG 65 13.879 6.593 0.798 544 HH11 ARG 65 1HH1 ARG 65 11.311 8.681 2.063 545 HH12 ARG 65 2HH1 ARG 65 11.885 8.553 3.703 546 HH21 ARG 65 1HH2 ARG 65 14.542 6.399 2.949 547 HH22 ARG 65 2HH2 ARG 65 13.704 7.270 4.200 548 H LEU 66 H LEU 66 8.781 3.113 -0.548 549 HA LEU 66 HA LEU 66 9.620 1.179 1.432 550 HB2 LEU 66 1HB LEU 66 6.915 2.050 0.390 551 HB3 LEU 66 2HB LEU 66 7.065 0.656 1.446 552 HG LEU 66 HG LEU 66 8.038 2.108 3.222 553 HD11 LEU 66 1HD1 LEU 66 9.029 3.894 1.887 554 HD12 LEU 66 2HD1 LEU 66 7.917 4.540 3.086 555 HD13 LEU 66 3HD1 LEU 66 7.426 4.445 1.397 556 HD21 LEU 66 1HD2 LEU 66 5.691 1.629 3.298 557 HD22 LEU 66 2HD2 LEU 66 5.327 2.926 2.161 558 HD23 LEU 66 3HD2 LEU 66 5.931 3.307 3.775 559 H LEU 67 H LEU 67 8.301 1.092 -1.843 560 HA LEU 67 HA LEU 67 7.993 -1.728 -2.117 561 HB2 LEU 67 1HB LEU 67 8.389 0.393 -4.278 562 HB3 LEU 67 2HB LEU 67 7.869 -1.257 -4.575 563 HG LEU 67 HG LEU 67 6.286 0.849 -3.053 564 HD11 LEU 67 1HD1 LEU 67 5.787 -0.310 -5.814 565 HD12 LEU 67 2HD1 LEU 67 6.366 1.320 -5.458 566 HD13 LEU 67 3HD1 LEU 67 4.745 0.837 -4.963 567 HD21 LEU 67 1HD2 LEU 67 5.786 -1.349 -2.129 568 HD22 LEU 67 2HD2 LEU 67 5.495 -2.001 -3.741 569 HD23 LEU 67 3HD2 LEU 67 4.416 -0.774 -3.076 570 H ARG 68 H ARG 68 10.705 0.459 -2.454 571 HA ARG 68 HA ARG 68 12.481 -1.650 -3.459 572 HB2 ARG 68 1HB ARG 68 13.313 1.147 -2.620 573 HB3 ARG 68 2HB ARG 68 14.179 0.033 -3.667 574 HG2 ARG 68 1HG ARG 68 11.664 1.580 -4.316 575 HG3 ARG 68 2HG ARG 68 13.254 1.823 -5.007 576 HD2 ARG 68 1HD ARG 68 13.083 -0.276 -6.245 577 HD3 ARG 68 2HD ARG 68 11.568 -0.678 -5.430 578 HE ARG 68 HE ARG 68 10.630 1.385 -6.532 579 HH11 ARG 68 1HH1 ARG 68 13.237 -0.416 -8.065 580 HH12 ARG 68 2HH1 ARG 68 12.801 0.085 -9.667 581 HH21 ARG 68 1HH2 ARG 68 10.026 1.983 -8.621 582 HH22 ARG 68 2HH2 ARG 68 10.967 1.455 -9.984 583 H HIS 69 H HIS 69 11.660 -0.102 -0.400 584 HA HIS 69 HA HIS 69 13.907 -0.839 1.161 585 HB2 HIS 69 1HB HIS 69 12.079 0.790 1.877 586 HB3 HIS 69 2HB HIS 69 11.044 -0.599 2.189 587 HD1 HIS 69 HD1 HIS 69 11.792 -2.181 4.194 588 HD2 HIS 69 HD2 HIS 69 13.838 1.426 3.923 589 HE1 HIS 69 HE1 HIS 69 12.964 -1.907 6.395 590 HE2 HIS 69 HE2 HIS 69 14.346 0.179 6.134 591 H VAL 70 H VAL 70 11.002 -2.618 0.239 592 HA VAL 70 HA VAL 70 11.360 -4.845 1.989 593 HB VAL 70 HB VAL 70 9.670 -6.033 0.654 594 HG11 VAL 70 1HG1 VAL 70 8.895 -3.129 1.108 595 HG12 VAL 70 2HG1 VAL 70 8.877 -4.411 2.317 596 HG13 VAL 70 3HG1 VAL 70 7.774 -4.484 0.945 597 HG21 VAL 70 1HG2 VAL 70 9.817 -3.710 -1.300 598 HG22 VAL 70 2HG2 VAL 70 8.644 -5.027 -1.349 599 HG23 VAL 70 3HG2 VAL 70 10.357 -5.361 -1.602 600 H GLN 71 H GLN 71 12.970 -3.977 -0.950 601 HA GLN 71 HA GLN 71 14.053 -6.624 -1.508 602 HB2 GLN 71 1HB GLN 71 14.396 -3.867 -2.684 603 HB3 GLN 71 2HB GLN 71 15.729 -4.990 -2.914 604 HG2 GLN 71 1HG GLN 71 14.322 -5.072 -4.851 605 HG3 GLN 71 2HG GLN 71 14.131 -6.592 -3.989 606 HE21 GLN 71 1HE2 GLN 71 10.972 -4.089 -4.548 607 HE22 GLN 71 2HE2 GLN 71 12.587 -3.649 -4.986 608 H SER 72 H SER 72 14.414 -5.999 1.177 609 HA SER 72 HA SER 72 15.847 -5.932 2.906 610 HB2 SER 72 1HB SER 72 16.505 -8.066 1.808 611 HB3 SER 72 2HB SER 72 17.758 -7.222 0.902 612 HG SER 72 HG SER 72 18.355 -8.344 2.953 613 H LYS 73 H LYS 73 15.679 -3.528 2.464 614 HA LYS 73 HA LYS 73 17.896 -2.055 1.455 615 HB2 LYS 73 1HB LYS 73 15.628 -1.095 1.655 616 HB3 LYS 73 2HB LYS 73 15.710 -1.218 3.407 617 HG2 LYS 73 1HG LYS 73 16.073 1.084 2.686 618 HG3 LYS 73 2HG LYS 73 17.533 0.445 3.445 619 HD2 LYS 73 1HD LYS 73 18.477 0.018 1.160 620 HD3 LYS 73 2HD LYS 73 17.039 0.760 0.459 621 HE2 LYS 73 1HE LYS 73 17.589 2.903 1.484 622 HE3 LYS 73 2HE LYS 73 18.953 2.180 2.341 623 HZ1 LYS 73 1HZ LYS 73 18.686 2.574 -0.591 624 HZ2 LYS 73 2HZ LYS 73 19.916 1.658 0.118 625 HZ3 LYS 73 3HZ LYS 73 19.800 3.310 0.446 626 H SER 74 H SER 74 19.688 -1.273 2.464 627 HA SER 74 HA SER 74 20.652 -2.786 4.698 628 HB2 SER 74 1HB SER 74 22.790 -1.587 4.203 629 HB3 SER 74 2HB SER 74 22.076 -2.350 2.781 630 HG SER 74 HG SER 74 22.491 0.317 3.338 631 H LEU 75 H LEU 75 22.023 -1.675 6.419 632 HA LEU 75 HA LEU 75 20.614 0.630 7.628 633 HB2 LEU 75 1HB LEU 75 21.087 -0.508 9.863 634 HB3 LEU 75 2HB LEU 75 19.862 -1.241 8.853 635 HG LEU 75 HG LEU 75 21.642 -2.947 8.117 636 HD11 LEU 75 1HD1 LEU 75 23.527 -3.372 9.637 637 HD12 LEU 75 2HD1 LEU 75 23.173 -1.871 10.497 638 HD13 LEU 75 3HD1 LEU 75 23.681 -1.825 8.807 639 HD21 LEU 75 1HD2 LEU 75 19.844 -3.551 9.660 640 HD22 LEU 75 2HD2 LEU 75 20.790 -2.969 11.031 641 HD23 LEU 75 3HD2 LEU 75 21.340 -4.370 10.107 642 H SER 76 H SER 76 21.957 1.601 9.485 643 HA SER 76 HA SER 76 24.788 1.888 8.642 644 HB2 SER 76 1HB SER 76 23.336 3.925 8.315 645 HB3 SER 76 2HB SER 76 23.018 3.943 10.051 646 HG SER 76 HG SER 76 25.080 4.992 8.731 647 H SER 77 H SER 77 25.993 2.998 10.695 648 HA SER 77 HA SER 77 25.299 1.610 13.218 649 HB2 SER 77 1HB SER 77 28.131 1.956 12.110 650 HB3 SER 77 2HB SER 77 27.688 1.163 13.623 651 HG SER 77 HG SER 77 26.315 -0.168 11.983 652 H THR 78 H THR 78 25.573 2.893 15.047 653 HA THR 78 HA THR 78 26.491 5.680 14.672 654 HB THR 78 HB THR 78 25.141 6.162 16.746 655 HG1 THR 78 1HG THR 78 23.500 4.357 17.128 656 HG21 THR 78 1HG2 THR 78 22.901 6.040 15.696 657 HG22 THR 78 2HG2 THR 78 23.526 4.921 14.483 658 HG23 THR 78 3HG2 THR 78 24.113 6.585 14.538 659 HA PRO 79 HA PRO 79 29.859 4.587 17.647 660 HB2 PRO 79 2HB PRO 79 30.003 7.579 17.961 661 HB3 PRO 79 1HB PRO 79 31.290 6.418 17.568 662 HG2 PRO 79 2HG PRO 79 30.329 8.027 15.694 663 HG3 PRO 79 1HG PRO 79 30.725 6.332 15.312 664 HD2 PRO 79 2HD PRO 79 28.023 7.568 15.847 665 HD3 PRO 79 1HD PRO 79 28.503 6.409 14.585 666 H GLN 80 H GLN 80 30.415 5.329 19.930 667 HA GLN 80 HA GLN 80 28.057 5.239 21.608 668 HB2 GLN 80 1HB GLN 80 31.033 5.291 22.250 669 HB3 GLN 80 2HB GLN 80 29.773 5.153 23.474 670 HG2 GLN 80 1HG GLN 80 29.031 3.030 22.498 671 HG3 GLN 80 2HG GLN 80 30.245 3.175 21.232 672 HE21 GLN 80 1HE2 GLN 80 31.293 1.890 24.960 673 HE22 GLN 80 2HE2 GLN 80 29.737 2.577 24.651 674 H ALA 81 H ALA 81 27.632 6.713 23.327 675 HA ALA 81 HA ALA 81 27.695 9.499 22.646 676 HB1 ALA 81 1HB ALA 81 26.784 8.071 25.185 677 HB2 ALA 81 2HB ALA 81 25.778 8.439 23.784 678 HB3 ALA 81 3HB ALA 81 26.420 9.748 24.773 679 HA PRO 82 HA PRO 82 31.485 10.646 24.843 680 HB2 PRO 82 2HB PRO 82 31.061 13.270 25.453 681 HB3 PRO 82 1HB PRO 82 31.311 12.729 23.780 682 HG2 PRO 82 2HG PRO 82 28.729 13.314 25.193 683 HG3 PRO 82 1HG PRO 82 29.271 13.834 23.579 684 HD2 PRO 82 2HD PRO 82 27.609 11.717 23.900 685 HD3 PRO 82 1HD PRO 82 28.822 11.763 22.605 686 H VAL 83 H VAL 83 32.297 10.963 26.949 687 HA VAL 83 HA VAL 83 30.869 9.897 29.083 688 HB VAL 83 HB VAL 83 33.337 9.894 29.035 689 HG11 VAL 83 1HG1 VAL 83 33.862 12.116 28.205 690 HG12 VAL 83 2HG1 VAL 83 34.663 11.857 29.747 691 HG13 VAL 83 3HG1 VAL 83 33.211 12.857 29.667 692 HG21 VAL 83 1HG2 VAL 83 33.764 10.299 31.435 693 HG22 VAL 83 2HG2 VAL 83 32.232 9.464 31.183 694 HG23 VAL 83 3HG2 VAL 83 32.242 11.188 31.563 695 H SER 84 H SER 84 29.398 10.673 30.481 696 HA SER 84 HA SER 84 28.787 13.519 30.686 697 HB2 SER 84 1HB SER 84 26.945 11.844 30.632 698 HB3 SER 84 2HB SER 84 27.556 11.113 32.122 699 HG SER 84 HG SER 84 26.128 13.457 31.730 700 H LYS 85 H LYS 85 28.811 14.639 32.784 701 HA LYS 85 HA LYS 85 31.061 13.747 34.493 702 HB2 LYS 85 1HB LYS 85 31.329 15.974 33.425 703 HB3 LYS 85 2HB LYS 85 29.850 16.528 34.186 704 HG2 LYS 85 1HG LYS 85 31.853 17.379 35.347 705 HG3 LYS 85 2HG LYS 85 30.853 16.382 36.398 706 HD2 LYS 85 1HD LYS 85 33.160 15.840 36.844 707 HD3 LYS 85 2HD LYS 85 32.446 14.469 36.002 708 HE2 LYS 85 1HE LYS 85 34.732 14.974 35.206 709 HE3 LYS 85 2HE LYS 85 33.553 15.154 33.914 710 HZ1 LYS 85 1HZ LYS 85 34.704 17.369 35.517 711 HZ2 LYS 85 2HZ LYS 85 33.605 17.539 34.235 712 HZ3 LYS 85 3HZ LYS 85 35.159 16.952 33.941 713 H ARG 86 H ARG 86 30.826 13.436 36.632 714 HA ARG 86 HA ARG 86 28.188 13.820 37.923 715 HB2 ARG 86 1HB ARG 86 28.890 11.457 37.788 716 HB3 ARG 86 2HB ARG 86 30.437 11.836 38.531 717 HG2 ARG 86 1HG ARG 86 29.260 12.438 40.638 718 HG3 ARG 86 2HG ARG 86 27.719 12.023 39.880 719 HD2 ARG 86 1HD ARG 86 30.034 10.120 40.401 720 HD3 ARG 86 2HD ARG 86 28.503 10.173 41.279 721 HE ARG 86 HE ARG 86 27.627 9.750 38.800 722 HH11 ARG 86 1HH1 ARG 86 30.222 8.103 40.554 723 HH12 ARG 86 2HH1 ARG 86 30.012 6.607 39.695 724 HH21 ARG 86 1HH2 ARG 86 27.365 7.817 37.669 725 HH22 ARG 86 2HH2 ARG 86 28.373 6.440 38.038 726 H ARG 87 H ARG 87 28.121 15.093 39.723 727 HA ARG 87 HA ARG 87 30.388 16.656 40.584 728 HB2 ARG 87 1HB ARG 87 28.111 17.601 40.591 729 HB3 ARG 87 2HB ARG 87 27.564 16.365 41.716 730 HG2 ARG 87 1HG ARG 87 29.113 17.322 43.440 731 HG3 ARG 87 2HG ARG 87 29.536 18.596 42.297 732 HD2 ARG 87 1HD ARG 87 27.218 19.385 42.271 733 HD3 ARG 87 2HD ARG 87 26.735 18.074 43.352 734 HE ARG 87 HE ARG 87 28.578 20.278 44.101 735 HH11 ARG 87 1HH1 ARG 87 26.074 17.968 45.011 736 HH12 ARG 87 2HH1 ARG 87 25.962 18.556 46.639 737 HH21 ARG 87 1HH2 ARG 87 28.422 21.022 46.257 738 HH22 ARG 87 2HH2 ARG 87 27.286 20.281 47.342 739 H ALA 88 H ALA 88 31.982 15.462 41.571 740 HA ALA 88 HA ALA 88 31.377 13.535 43.679 741 HB1 ALA 88 1HB ALA 88 33.806 13.200 43.815 742 HB2 ALA 88 2HB ALA 88 34.066 14.536 42.690 743 HB3 ALA 88 3HB ALA 88 33.241 13.076 42.147 744 H ALA 89 H ALA 89 30.282 14.923 45.127 745 HA ALA 89 HA ALA 89 32.000 16.825 46.619 746 HB1 ALA 89 1HB ALA 89 29.910 17.895 47.385 747 HB2 ALA 89 2HB ALA 89 28.963 16.745 46.438 748 HB3 ALA 89 3HB ALA 89 30.022 17.895 45.624 Start of MODEL 11 1 H1 MET 1 1H MET 1 7.623 -5.245 7.486 2 H2 MET 1 2H MET 1 7.730 -3.560 7.468 3 H3 MET 1 3H MET 1 8.563 -4.474 6.312 4 HA MET 1 HA MET 1 5.625 -4.323 6.594 5 HB2 MET 1 1HB MET 1 7.393 -3.163 4.399 6 HB3 MET 1 2HB MET 1 5.642 -3.027 4.504 7 HG2 MET 1 1HG MET 1 6.625 -0.932 5.131 8 HG3 MET 1 2HG MET 1 5.928 -1.668 6.576 9 HE1 MET 1 1HE MET 1 7.313 0.084 8.057 10 HE2 MET 1 2HE MET 1 8.053 0.780 6.614 11 HE3 MET 1 3HE MET 1 9.065 0.270 7.964 12 H ILE 2 H ILE 2 4.881 -6.316 6.054 13 HA ILE 2 HA ILE 2 6.403 -8.174 4.450 14 HB ILE 2 HB ILE 2 3.504 -8.459 5.379 15 HG12 ILE 2 1HG1 ILE 2 6.065 -9.438 6.730 16 HG13 ILE 2 2HG1 ILE 2 5.055 -8.111 7.298 17 HG21 ILE 2 1HG2 ILE 2 3.875 -10.889 5.053 18 HG22 ILE 2 2HG2 ILE 2 5.503 -10.568 4.453 19 HG23 ILE 2 3HG2 ILE 2 4.100 -10.005 3.542 20 HD11 ILE 2 1HD1 ILE 2 4.233 -11.014 7.130 21 HD12 ILE 2 2HD1 ILE 2 3.216 -9.681 7.690 22 HD13 ILE 2 3HD1 ILE 2 4.671 -10.117 8.582 23 H LEU 3 H LEU 3 6.531 -7.882 2.296 24 HA LEU 3 HA LEU 3 4.465 -6.542 0.774 25 HB2 LEU 3 1HB LEU 3 6.839 -6.104 0.296 26 HB3 LEU 3 2HB LEU 3 7.100 -7.799 -0.075 27 HG LEU 3 HG LEU 3 5.519 -7.537 -2.057 28 HD11 LEU 3 1HD1 LEU 3 5.679 -4.592 -1.356 29 HD12 LEU 3 2HD1 LEU 3 4.231 -5.603 -1.393 30 HD13 LEU 3 3HD1 LEU 3 5.080 -5.237 -2.888 31 HD21 LEU 3 1HD2 LEU 3 7.157 -6.424 -3.492 32 HD22 LEU 3 2HD2 LEU 3 7.946 -7.507 -2.349 33 HD23 LEU 3 3HD2 LEU 3 7.973 -5.764 -2.071 34 H GLU 4 H GLU 4 2.660 -7.748 0.356 35 HA GLU 4 HA GLU 4 2.852 -10.567 -0.433 36 HB2 GLU 4 1HB GLU 4 0.455 -8.741 0.033 37 HB3 GLU 4 2HB GLU 4 0.310 -10.403 -0.518 38 HG2 GLU 4 1HG GLU 4 1.491 -9.479 2.117 39 HG3 GLU 4 2HG GLU 4 -0.102 -10.203 1.892 40 H ALA 5 H ALA 5 3.210 -11.053 -2.494 41 HA ALA 5 HA ALA 5 2.682 -9.210 -4.692 42 HB1 ALA 5 1HB ALA 5 3.722 -10.976 -6.093 43 HB2 ALA 5 2HB ALA 5 3.777 -12.058 -4.698 44 HB3 ALA 5 3HB ALA 5 4.747 -10.587 -4.708 45 H HIS 6 H HIS 6 0.601 -9.072 -5.307 46 HA HIS 6 HA HIS 6 -1.152 -11.460 -5.323 47 HB2 HIS 6 1HB HIS 6 -1.690 -10.042 -3.398 48 HB3 HIS 6 2HB HIS 6 -1.765 -8.615 -4.412 49 HD1 HIS 6 HD1 HIS 6 -4.009 -7.944 -5.109 50 HD2 HIS 6 HD2 HIS 6 -3.865 -11.959 -4.054 51 HE1 HIS 6 HE1 HIS 6 -6.395 -8.724 -5.113 52 HE2 HIS 6 HE2 HIS 6 -6.279 -11.073 -4.201 53 H TYR 7 H TYR 7 -2.252 -11.749 -7.165 54 HA TYR 7 HA TYR 7 -2.244 -9.729 -9.309 55 HB2 TYR 7 2HB TYR 7 -2.836 -12.738 -9.309 56 HB3 TYR 7 1HB TYR 7 -3.021 -11.709 -10.727 57 HD1 TYR 7 1HD TYR 7 -1.158 -11.239 -12.122 58 HD2 TYR 7 2HD TYR 7 -0.456 -12.932 -8.256 59 HE1 TYR 7 1HE TYR 7 1.206 -11.555 -12.684 60 HE2 TYR 7 2HE TYR 7 1.916 -13.244 -8.825 61 HH TYR 7 HH TYR 7 3.307 -13.465 -10.831 62 H THR 8 H THR 8 -4.390 -9.767 -10.590 63 HA THR 8 HA THR 8 -6.337 -8.531 -9.124 64 HB THR 8 HB THR 8 -7.898 -9.031 -11.121 65 HG1 THR 8 1HG THR 8 -6.958 -10.003 -12.911 66 HG21 THR 8 1HG2 THR 8 -6.580 -6.967 -11.010 67 HG22 THR 8 2HG2 THR 8 -6.642 -7.587 -12.661 68 HG23 THR 8 3HG2 THR 8 -5.183 -7.807 -11.695 69 H ASN 9 H ASN 9 -7.399 -9.349 -7.445 70 HA ASN 9 HA ASN 9 -8.607 -11.944 -7.228 71 HB2 ASN 9 1HB ASN 9 -8.101 -10.558 -5.247 72 HB3 ASN 9 2HB ASN 9 -9.156 -9.278 -5.825 73 HD21 ASN 9 1HD2 ASN 9 -10.672 -12.473 -3.795 74 HD22 ASN 9 2HD2 ASN 9 -9.049 -12.467 -4.381 75 H LEU 10 H LEU 10 -11.094 -12.154 -7.100 76 HA LEU 10 HA LEU 10 -12.509 -11.655 -9.387 77 HB2 LEU 10 1HB LEU 10 -13.101 -13.070 -7.284 78 HB3 LEU 10 2HB LEU 10 -13.843 -11.620 -6.650 79 HG LEU 10 HG LEU 10 -14.741 -13.034 -9.211 80 HD11 LEU 10 1HD1 LEU 10 -15.106 -14.481 -7.269 81 HD12 LEU 10 2HD1 LEU 10 -16.640 -13.886 -7.896 82 HD13 LEU 10 3HD1 LEU 10 -15.955 -13.180 -6.429 83 HD21 LEU 10 1HD2 LEU 10 -16.126 -10.847 -7.618 84 HD22 LEU 10 2HD2 LEU 10 -16.802 -11.689 -9.017 85 HD23 LEU 10 3HD2 LEU 10 -15.384 -10.662 -9.208 86 H LYS 11 H LYS 11 -12.350 -9.575 -6.501 87 HA LYS 11 HA LYS 11 -12.375 -7.177 -8.010 88 HB2 LYS 11 1HB LYS 11 -14.515 -6.238 -6.945 89 HB3 LYS 11 2HB LYS 11 -14.731 -7.429 -8.222 90 HG2 LYS 11 1HG LYS 11 -15.094 -9.188 -6.466 91 HG3 LYS 11 2HG LYS 11 -15.029 -7.915 -5.237 92 HD2 LYS 11 1HD LYS 11 -16.968 -6.794 -6.319 93 HD3 LYS 11 2HD LYS 11 -17.035 -8.081 -7.526 94 HE2 LYS 11 1HE LYS 11 -17.595 -9.715 -5.813 95 HE3 LYS 11 2HE LYS 11 -17.397 -8.508 -4.540 96 HZ1 LYS 11 1HZ LYS 11 -19.242 -7.265 -5.493 97 HZ2 LYS 11 2HZ LYS 11 -19.720 -8.833 -5.080 98 HZ3 LYS 11 3HZ LYS 11 -19.441 -8.436 -6.699 99 H CYS 12 H CYS 12 -10.710 -6.299 -6.932 100 HA CYS 12 HA CYS 12 -10.205 -6.618 -4.128 101 HB2 CYS 12 2HB CYS 12 -8.951 -4.730 -6.163 102 HB3 CYS 12 1HB CYS 12 -8.343 -4.999 -4.531 103 H ARG 13 H ARG 13 -11.316 -5.570 -2.576 104 HA ARG 13 HA ARG 13 -12.988 -3.300 -3.079 105 HB2 ARG 13 1HB ARG 13 -12.339 -4.931 -0.628 106 HB3 ARG 13 2HB ARG 13 -13.141 -3.378 -0.423 107 HG2 ARG 13 1HG ARG 13 -14.960 -4.164 -1.939 108 HG3 ARG 13 2HG ARG 13 -14.184 -5.751 -2.000 109 HD2 ARG 13 1HD ARG 13 -16.085 -5.570 -0.345 110 HD3 ARG 13 2HD ARG 13 -14.558 -6.103 0.356 111 HE ARG 13 HE ARG 13 -14.408 -4.135 1.560 112 HH11 ARG 13 1HH1 ARG 13 -17.169 -3.843 -0.621 113 HH12 ARG 13 2HH1 ARG 13 -17.786 -2.439 0.182 114 HH21 ARG 13 1HH2 ARG 13 -15.259 -2.299 2.579 115 HH22 ARG 13 2HH2 ARG 13 -16.709 -1.566 1.987 116 H CYS 14 H CYS 14 -11.524 -1.723 -3.842 117 HA CYS 14 HA CYS 14 -10.673 -0.023 -1.583 118 HB2 CYS 14 2HB CYS 14 -9.226 -0.273 -4.253 119 HB3 CYS 14 1HB CYS 14 -8.916 1.004 -3.075 120 H SER 15 H SER 15 -12.177 1.494 -1.474 121 HA SER 15 HA SER 15 -14.040 2.208 -3.450 122 HB2 SER 15 1HB SER 15 -14.590 4.108 -1.891 123 HB3 SER 15 2HB SER 15 -14.486 2.553 -1.062 124 HG SER 15 HG SER 15 -13.270 3.788 0.191 125 H GLY 16 H GLY 16 -10.931 3.555 -2.531 126 HA2 GLY 16 1HA GLY 16 -10.507 4.707 -5.124 127 HA3 GLY 16 2HA GLY 16 -10.746 5.929 -3.871 128 H VAL 17 H VAL 17 -8.466 6.248 -4.881 129 HA VAL 17 HA VAL 17 -6.434 4.850 -3.231 130 HB VAL 17 HB VAL 17 -4.757 5.734 -4.926 131 HG11 VAL 17 1HG1 VAL 17 -5.236 4.024 -6.657 132 HG12 VAL 17 2HG1 VAL 17 -6.875 3.842 -6.027 133 HG13 VAL 17 3HG1 VAL 17 -5.491 3.394 -5.026 134 HG21 VAL 17 1HG2 VAL 17 -6.105 7.578 -5.881 135 HG22 VAL 17 2HG2 VAL 17 -7.226 6.409 -6.585 136 HG23 VAL 17 3HG2 VAL 17 -5.555 6.475 -7.146 137 H ILE 18 H ILE 18 -5.155 6.056 -1.878 138 HA ILE 18 HA ILE 18 -5.866 8.915 -1.518 139 HB ILE 18 HB ILE 18 -4.991 7.010 0.710 140 HG12 ILE 18 1HG1 ILE 18 -7.868 7.781 0.001 141 HG13 ILE 18 2HG1 ILE 18 -7.151 6.199 -0.282 142 HG21 ILE 18 1HG2 ILE 18 -6.372 9.722 0.807 143 HG22 ILE 18 2HG2 ILE 18 -4.665 9.422 1.148 144 HG23 ILE 18 3HG2 ILE 18 -5.902 8.747 2.203 145 HD11 ILE 18 1HD1 ILE 18 -7.651 7.473 2.412 146 HD12 ILE 18 2HD1 ILE 18 -6.866 5.912 2.149 147 HD13 ILE 18 3HD1 ILE 18 -8.545 6.148 1.670 148 H SER 19 H SER 19 -4.199 10.331 -1.469 149 HA SER 19 HA SER 19 -1.431 9.369 -1.754 150 HB2 SER 19 1HB SER 19 -2.624 12.133 -2.239 151 HB3 SER 19 2HB SER 19 -0.989 11.614 -2.660 152 HG SER 19 HG SER 19 -2.051 9.984 -3.991 153 H THR 20 H THR 20 -2.310 9.069 0.819 154 HA THR 20 HA THR 20 -0.944 11.217 2.353 155 HB THR 20 HB THR 20 -2.060 10.175 4.387 156 HG1 THR 20 1HG THR 20 -2.488 8.115 3.226 157 HG21 THR 20 1HG2 THR 20 -3.977 11.148 2.239 158 HG22 THR 20 2HG2 THR 20 -3.045 12.176 3.330 159 HG23 THR 20 3HG2 THR 20 -4.301 11.119 3.976 160 H VAL 21 H VAL 21 0.974 10.743 3.242 161 HA VAL 21 HA VAL 21 2.227 8.182 2.905 162 HB VAL 21 HB VAL 21 3.209 10.590 4.528 163 HG11 VAL 21 1HG1 VAL 21 4.753 8.139 3.566 164 HG12 VAL 21 2HG1 VAL 21 4.327 8.500 5.241 165 HG13 VAL 21 3HG1 VAL 21 5.457 9.543 4.377 166 HG21 VAL 21 1HG2 VAL 21 4.626 11.100 2.563 167 HG22 VAL 21 2HG2 VAL 21 2.916 11.145 2.136 168 HG23 VAL 21 3HG2 VAL 21 3.900 9.753 1.682 169 H VAL 22 H VAL 22 1.711 6.522 4.122 170 HA VAL 22 HA VAL 22 0.309 6.721 6.637 171 HB VAL 22 HB VAL 22 1.424 4.208 5.299 172 HG11 VAL 22 1HG1 VAL 22 -0.352 3.004 6.542 173 HG12 VAL 22 2HG1 VAL 22 -0.822 4.513 7.327 174 HG13 VAL 22 3HG1 VAL 22 0.769 3.816 7.637 175 HG21 VAL 22 1HG2 VAL 22 -0.009 5.393 3.698 176 HG22 VAL 22 2HG2 VAL 22 -1.303 5.485 4.896 177 HG23 VAL 22 3HG2 VAL 22 -0.804 3.918 4.257 178 H GLY 23 H GLY 23 1.092 6.086 8.709 179 HA2 GLY 23 1HA GLY 23 3.747 6.760 9.380 180 HA3 GLY 23 2HA GLY 23 2.596 5.956 10.434 181 H LEU 24 H LEU 24 5.586 5.577 9.162 182 HA LEU 24 HA LEU 24 5.644 3.010 7.993 183 HB2 LEU 24 1HB LEU 24 7.773 4.768 9.223 184 HB3 LEU 24 2HB LEU 24 8.178 3.145 8.693 185 HG LEU 24 HG LEU 24 7.463 3.736 6.365 186 HD11 LEU 24 1HD1 LEU 24 7.129 6.093 5.717 187 HD12 LEU 24 2HD1 LEU 24 7.129 6.558 7.420 188 HD13 LEU 24 3HD1 LEU 24 5.854 5.513 6.788 189 HD21 LEU 24 1HD2 LEU 24 9.419 5.117 5.822 190 HD22 LEU 24 2HD2 LEU 24 9.820 3.878 7.010 191 HD23 LEU 24 3HD2 LEU 24 9.596 5.551 7.526 192 H ASN 25 H ASN 25 5.541 3.959 11.307 193 HA ASN 25 HA ASN 25 6.519 1.555 12.500 194 HB2 ASN 25 1HB ASN 25 5.588 2.469 14.599 195 HB3 ASN 25 2HB ASN 25 6.522 3.682 13.737 196 HD21 ASN 25 1HD2 ASN 25 3.055 4.834 14.987 197 HD22 ASN 25 2HD2 ASN 25 4.166 3.725 15.709 198 H ILE 26 H ILE 26 3.345 2.695 11.422 199 HA ILE 26 HA ILE 26 1.988 0.355 12.587 200 HB ILE 26 HB ILE 26 -0.136 1.439 12.080 201 HG12 ILE 26 1HG1 ILE 26 1.428 3.750 10.827 202 HG13 ILE 26 2HG1 ILE 26 0.535 2.543 9.913 203 HG21 ILE 26 1HG2 ILE 26 0.958 2.055 14.184 204 HG22 ILE 26 2HG2 ILE 26 0.015 3.406 13.556 205 HG23 ILE 26 3HG2 ILE 26 1.773 3.404 13.387 206 HD11 ILE 26 1HD1 ILE 26 -0.676 4.507 11.857 207 HD12 ILE 26 2HD1 ILE 26 -1.548 3.316 10.884 208 HD13 ILE 26 3HD1 ILE 26 -0.680 4.631 10.098 209 H ILE 27 H ILE 27 3.230 1.429 9.502 210 HA ILE 27 HA ILE 27 1.554 -0.026 7.738 211 HB ILE 27 HB ILE 27 4.536 0.561 7.376 212 HG12 ILE 27 1HG1 ILE 27 2.102 2.077 6.311 213 HG13 ILE 27 2HG1 ILE 27 3.196 2.635 7.566 214 HG21 ILE 27 1HG2 ILE 27 4.144 0.137 4.962 215 HG22 ILE 27 2HG2 ILE 27 2.480 -0.331 5.312 216 HG23 ILE 27 3HG2 ILE 27 3.819 -1.298 5.933 217 HD11 ILE 27 1HD1 ILE 27 3.718 3.754 5.515 218 HD12 ILE 27 2HD1 ILE 27 3.868 2.224 4.656 219 HD13 ILE 27 3HD1 ILE 27 5.040 2.655 5.902 220 H ASP 28 H ASP 28 1.128 -2.125 7.943 221 HA ASP 28 HA ASP 28 3.023 -3.901 9.326 222 HB2 ASP 28 1HB ASP 28 0.641 -3.552 10.152 223 HB3 ASP 28 2HB ASP 28 0.067 -4.356 8.699 224 H ARG 29 H ARG 29 0.775 -3.961 6.539 225 HA ARG 29 HA ARG 29 2.531 -5.858 5.107 226 HB2 ARG 29 1HB ARG 29 -0.445 -6.233 5.678 227 HB3 ARG 29 2HB ARG 29 0.395 -7.112 4.400 228 HG2 ARG 29 1HG ARG 29 1.769 -8.291 5.966 229 HG3 ARG 29 2HG ARG 29 1.298 -7.230 7.297 230 HD2 ARG 29 1HD ARG 29 -0.595 -9.119 5.850 231 HD3 ARG 29 2HD ARG 29 0.208 -9.475 7.384 232 HE ARG 29 HE ARG 29 -0.963 -7.383 8.223 233 HH11 ARG 29 1HH1 ARG 29 -2.411 -9.461 5.772 234 HH12 ARG 29 2HH1 ARG 29 -4.034 -9.027 6.201 235 HH21 ARG 29 1HH2 ARG 29 -3.086 -6.845 8.775 236 HH22 ARG 29 2HH2 ARG 29 -4.413 -7.546 7.902 237 H ILE 30 H ILE 30 2.872 -5.172 3.125 238 HA ILE 30 HA ILE 30 1.056 -3.225 1.821 239 HB ILE 30 HB ILE 30 4.026 -3.807 1.345 240 HG12 ILE 30 1HG1 ILE 30 2.637 -1.345 2.484 241 HG13 ILE 30 2HG1 ILE 30 3.592 -2.504 3.403 242 HG21 ILE 30 1HG2 ILE 30 4.002 -1.945 -0.286 243 HG22 ILE 30 2HG2 ILE 30 2.255 -1.799 -0.097 244 HG23 ILE 30 3HG2 ILE 30 2.945 -3.264 -0.796 245 HD11 ILE 30 1HD1 ILE 30 5.582 -1.834 2.100 246 HD12 ILE 30 2HD1 ILE 30 4.862 -0.522 3.022 247 HD13 ILE 30 3HD1 ILE 30 4.602 -0.613 1.281 248 H GLN 31 H GLN 31 -0.319 -4.405 0.578 249 HA GLN 31 HA GLN 31 0.686 -6.693 -1.002 250 HB2 GLN 31 1HB GLN 31 -1.173 -7.294 0.433 251 HB3 GLN 31 2HB GLN 31 -2.120 -5.918 -0.110 252 HG2 GLN 31 1HG GLN 31 -2.489 -6.906 -2.255 253 HG3 GLN 31 2HG GLN 31 -1.292 -8.161 -1.962 254 HE21 GLN 31 1HE2 GLN 31 -3.682 -9.643 0.551 255 HE22 GLN 31 2HE2 GLN 31 -2.144 -8.873 0.698 256 H VAL 32 H VAL 32 1.133 -6.287 -3.028 257 HA VAL 32 HA VAL 32 0.052 -3.899 -4.374 258 HB VAL 32 HB VAL 32 1.755 -4.295 -6.123 259 HG11 VAL 32 1HG1 VAL 32 3.786 -3.852 -4.770 260 HG12 VAL 32 2HG1 VAL 32 2.935 -4.381 -3.319 261 HG13 VAL 32 3HG1 VAL 32 2.396 -2.940 -4.179 262 HG21 VAL 32 1HG2 VAL 32 3.454 -6.072 -5.951 263 HG22 VAL 32 2HG2 VAL 32 1.843 -6.779 -6.061 264 HG23 VAL 32 3HG2 VAL 32 2.669 -6.716 -4.505 265 H THR 33 H THR 33 -1.388 -3.985 -6.027 266 HA THR 33 HA THR 33 -2.077 -6.600 -7.217 267 HB THR 33 HB THR 33 -4.112 -4.430 -6.537 268 HG1 THR 33 1HG THR 33 -3.670 -5.219 -4.589 269 HG21 THR 33 1HG2 THR 33 -4.752 -5.917 -8.446 270 HG22 THR 33 2HG2 THR 33 -5.801 -6.154 -7.050 271 HG23 THR 33 3HG2 THR 33 -4.532 -7.328 -7.403 272 HA PRO 34 HA PRO 34 -1.563 -4.023 -10.995 273 HB2 PRO 34 2HB PRO 34 -1.705 -6.010 -12.832 274 HB3 PRO 34 1HB PRO 34 -0.286 -5.868 -11.770 275 HG2 PRO 34 2HG PRO 34 -2.678 -7.680 -11.475 276 HG3 PRO 34 1HG PRO 34 -0.948 -8.086 -11.360 277 HD2 PRO 34 2HD PRO 34 -2.484 -7.614 -9.158 278 HD3 PRO 34 1HD PRO 34 -0.746 -7.231 -9.209 279 HA PRO 35 HA PRO 35 -5.915 -3.807 -12.407 280 HB2 PRO 35 2HB PRO 35 -5.736 -2.646 -14.829 281 HB3 PRO 35 1HB PRO 35 -5.157 -1.781 -13.386 282 HG2 PRO 35 2HG PRO 35 -3.555 -3.312 -15.428 283 HG3 PRO 35 1HG PRO 35 -3.237 -1.708 -14.728 284 HD2 PRO 35 2HD PRO 35 -2.049 -4.034 -13.807 285 HD3 PRO 35 1HD PRO 35 -2.287 -2.584 -12.806 286 H GLY 36 H GLY 36 -7.281 -4.311 -14.532 287 HA2 GLY 36 1HA GLY 36 -7.069 -5.567 -16.703 288 HA3 GLY 36 2HA GLY 36 -6.344 -6.858 -15.750 289 H ASN 37 H ASN 37 -7.784 -8.473 -15.731 290 HA ASN 37 HA ASN 37 -10.665 -7.927 -15.582 291 HB2 ASN 37 1HB ASN 37 -9.178 -10.562 -15.978 292 HB3 ASN 37 2HB ASN 37 -10.923 -10.359 -16.075 293 HD21 ASN 37 1HD2 ASN 37 -10.345 -8.232 -19.146 294 HD22 ASN 37 2HD2 ASN 37 -10.919 -7.870 -17.558 295 H GLY 38 H GLY 38 -11.670 -7.911 -13.680 296 HA2 GLY 38 1HA GLY 38 -12.290 -9.086 -11.636 297 HA3 GLY 38 2HA GLY 38 -10.586 -9.431 -11.360 298 H CYS 39 H CYS 39 -9.229 -7.792 -10.569 299 HA CYS 39 HA CYS 39 -10.472 -5.492 -9.320 300 HB2 CYS 39 2HB CYS 39 -7.521 -6.250 -9.414 301 HB3 CYS 39 1HB CYS 39 -8.287 -5.119 -8.292 302 HA PRO 40 HA PRO 40 -9.870 -3.454 -13.305 303 HB2 PRO 40 2HB PRO 40 -11.241 -1.140 -12.872 304 HB3 PRO 40 1HB PRO 40 -12.076 -2.708 -12.962 305 HG2 PRO 40 2HG PRO 40 -11.254 -1.158 -10.515 306 HG3 PRO 40 1HG PRO 40 -12.805 -1.958 -10.865 307 HD2 PRO 40 2HD PRO 40 -10.861 -3.116 -9.314 308 HD3 PRO 40 1HD PRO 40 -12.007 -4.063 -10.290 309 H LYS 41 H LYS 41 -8.624 -2.151 -10.317 310 HA LYS 41 HA LYS 41 -7.275 0.117 -11.680 311 HB2 LYS 41 1HB LYS 41 -7.537 -0.333 -8.678 312 HB3 LYS 41 2HB LYS 41 -7.082 1.158 -9.505 313 HG2 LYS 41 1HG LYS 41 -9.416 1.246 -10.452 314 HG3 LYS 41 2HG LYS 41 -9.829 -0.140 -9.440 315 HD2 LYS 41 1HD LYS 41 -8.913 2.596 -8.459 316 HD3 LYS 41 2HD LYS 41 -10.561 1.975 -8.421 317 HE2 LYS 41 1HE LYS 41 -8.196 1.023 -6.761 318 HE3 LYS 41 2HE LYS 41 -9.680 1.784 -6.206 319 HZ1 LYS 41 1HZ LYS 41 -9.596 -0.643 -5.843 320 HZ2 LYS 41 2HZ LYS 41 -9.595 -0.880 -7.519 321 HZ3 LYS 41 3HZ LYS 41 -10.925 -0.150 -6.771 322 H THR 42 H THR 42 -5.020 0.419 -11.389 323 HA THR 42 HA THR 42 -3.397 -1.717 -10.251 324 HB THR 42 HB THR 42 -2.541 1.109 -11.038 325 HG1 THR 42 1HG THR 42 -3.553 -0.676 -12.645 326 HG21 THR 42 1HG2 THR 42 -0.320 0.077 -11.392 327 HG22 THR 42 2HG2 THR 42 -0.960 -1.489 -10.891 328 HG23 THR 42 3HG2 THR 42 -0.859 -0.165 -9.728 329 H GLU 43 H GLU 43 -3.266 -1.819 -8.033 330 HA GLU 43 HA GLU 43 -3.709 0.550 -6.367 331 HB2 GLU 43 1HB GLU 43 -5.686 -0.560 -5.231 332 HB3 GLU 43 2HB GLU 43 -5.987 -0.047 -6.886 333 HG2 GLU 43 1HG GLU 43 -5.571 -2.453 -7.600 334 HG3 GLU 43 2HG GLU 43 -5.551 -2.877 -5.890 335 H VAL 44 H VAL 44 -2.647 0.419 -4.508 336 HA VAL 44 HA VAL 44 -1.473 -2.173 -3.674 337 HB VAL 44 HB VAL 44 -0.457 0.667 -3.166 338 HG11 VAL 44 1HG1 VAL 44 0.762 -2.001 -2.362 339 HG12 VAL 44 2HG1 VAL 44 0.113 -0.772 -1.276 340 HG13 VAL 44 3HG1 VAL 44 1.565 -0.434 -2.219 341 HG21 VAL 44 1HG2 VAL 44 -0.076 0.083 -5.485 342 HG22 VAL 44 2HG2 VAL 44 0.552 -1.502 -5.042 343 HG23 VAL 44 3HG2 VAL 44 1.467 -0.055 -4.640 344 H VAL 45 H VAL 45 -2.628 -2.987 -2.085 345 HA VAL 45 HA VAL 45 -4.183 -1.323 -0.244 346 HB VAL 45 HB VAL 45 -4.142 -4.373 -0.518 347 HG11 VAL 45 1HG1 VAL 45 -6.290 -4.301 0.707 348 HG12 VAL 45 2HG1 VAL 45 -6.138 -2.550 0.869 349 HG13 VAL 45 3HG1 VAL 45 -4.979 -3.614 1.672 350 HG21 VAL 45 1HG2 VAL 45 -6.280 -4.133 -1.776 351 HG22 VAL 45 2HG2 VAL 45 -4.924 -3.409 -2.636 352 HG23 VAL 45 3HG2 VAL 45 -6.070 -2.381 -1.775 353 H ILE 46 H ILE 46 -3.024 -0.642 1.435 354 HA ILE 46 HA ILE 46 -1.016 -2.328 2.773 355 HB ILE 46 HB ILE 46 -1.578 0.667 3.043 356 HG12 ILE 46 1HG1 ILE 46 0.712 -0.786 1.638 357 HG13 ILE 46 2HG1 ILE 46 -0.589 0.098 0.849 358 HG21 ILE 46 1HG2 ILE 46 0.658 -0.979 4.299 359 HG22 ILE 46 2HG2 ILE 46 -0.708 -0.262 5.156 360 HG23 ILE 46 3HG2 ILE 46 0.497 0.776 4.396 361 HD11 ILE 46 1HD1 ILE 46 1.551 1.293 2.610 362 HD12 ILE 46 2HD1 ILE 46 0.231 2.179 1.839 363 HD13 ILE 46 3HD1 ILE 46 1.449 1.378 0.853 364 H TRP 47 H TRP 47 -1.890 -3.508 4.433 365 HA TRP 47 HA TRP 47 -3.947 -2.378 6.189 366 HB2 TRP 47 2HB TRP 47 -2.469 -5.044 6.274 367 HB3 TRP 47 1HB TRP 47 -3.649 -4.540 7.487 368 HD1 TRP 47 1HD TRP 47 -6.218 -4.421 6.724 369 HE1 TRP 47 1HE TRP 47 -7.477 -5.572 4.799 370 HE3 TRP 47 3HE TRP 47 -2.221 -5.849 3.900 371 HZ2 TRP 47 2HZ TRP 47 -6.858 -6.930 2.409 372 HZ3 TRP 47 3HZ TRP 47 -2.635 -7.077 1.816 373 HH2 TRP 47 2HH TRP 47 -4.905 -7.607 1.081 374 H THR 48 H THR 48 -3.539 -1.449 8.082 375 HA THR 48 HA THR 48 -0.764 -1.255 9.054 376 HB THR 48 HB THR 48 -1.637 0.502 10.552 377 HG1 THR 48 1HG THR 48 -3.927 1.160 10.013 378 HG21 THR 48 1HG2 THR 48 -2.554 0.891 7.676 379 HG22 THR 48 2HG2 THR 48 -0.911 1.143 8.274 380 HG23 THR 48 3HG2 THR 48 -2.220 2.177 8.841 381 H LYS 49 H LYS 49 -0.628 -1.277 11.551 382 HA LYS 49 HA LYS 49 -1.249 -3.890 12.497 383 HB2 LYS 49 1HB LYS 49 -0.162 -1.462 13.995 384 HB3 LYS 49 2HB LYS 49 -0.218 -3.101 14.650 385 HG2 LYS 49 1HG LYS 49 1.251 -3.859 12.787 386 HG3 LYS 49 2HG LYS 49 1.364 -2.184 12.227 387 HD2 LYS 49 1HD LYS 49 2.446 -1.527 14.324 388 HD3 LYS 49 2HD LYS 49 2.252 -3.166 14.963 389 HE2 LYS 49 1HE LYS 49 3.947 -2.345 12.583 390 HE3 LYS 49 2HE LYS 49 4.536 -2.853 14.167 391 HZ1 LYS 49 1HZ LYS 49 4.686 -4.670 12.636 392 HZ2 LYS 49 2HZ LYS 49 3.055 -4.532 12.209 393 HZ3 LYS 49 3HZ LYS 49 3.479 -5.032 13.765 394 H MET 50 H MET 50 -2.849 -0.842 12.730 395 HA MET 50 HA MET 50 -4.742 -1.640 14.794 396 HB2 MET 50 1HB MET 50 -4.708 0.829 12.997 397 HB3 MET 50 2HB MET 50 -5.745 0.591 14.400 398 HG2 MET 50 1HG MET 50 -3.735 0.539 15.847 399 HG3 MET 50 2HG MET 50 -2.728 0.848 14.430 400 HE1 MET 50 1HE MET 50 -3.940 4.467 13.412 401 HE2 MET 50 2HE MET 50 -4.653 2.966 12.827 402 HE3 MET 50 3HE MET 50 -2.901 3.109 12.982 403 H LYS 51 H LYS 51 -4.359 -2.625 11.744 404 HA LYS 51 HA LYS 51 -5.555 -3.737 10.236 405 HB2 LYS 51 1HB LYS 51 -7.752 -3.629 12.342 406 HB3 LYS 51 2HB LYS 51 -7.885 -4.559 10.853 407 HG2 LYS 51 1HG LYS 51 -5.800 -5.001 13.027 408 HG3 LYS 51 2HG LYS 51 -7.256 -5.970 12.778 409 HD2 LYS 51 1HD LYS 51 -4.927 -5.701 10.832 410 HD3 LYS 51 2HD LYS 51 -5.270 -7.093 11.859 411 HE2 LYS 51 1HE LYS 51 -6.971 -6.081 9.557 412 HE3 LYS 51 2HE LYS 51 -5.998 -7.550 9.583 413 HZ1 LYS 51 1HZ LYS 51 -8.315 -8.051 9.950 414 HZ2 LYS 51 2HZ LYS 51 -8.378 -6.999 11.272 415 HZ3 LYS 51 3HZ LYS 51 -7.430 -8.396 11.351 416 H LYS 52 H LYS 52 -5.645 -0.715 10.325 417 HA LYS 52 HA LYS 52 -8.071 -0.040 8.898 418 HB2 LYS 52 1HB LYS 52 -5.509 1.478 9.466 419 HB3 LYS 52 2HB LYS 52 -6.601 2.068 8.221 420 HG2 LYS 52 1HG LYS 52 -7.017 3.230 10.312 421 HG3 LYS 52 2HG LYS 52 -8.416 2.251 9.864 422 HD2 LYS 52 1HD LYS 52 -7.729 0.522 11.498 423 HD3 LYS 52 2HD LYS 52 -6.317 1.488 11.930 424 HE2 LYS 52 1HE LYS 52 -8.130 1.721 13.586 425 HE3 LYS 52 2HE LYS 52 -7.774 3.260 12.804 426 HZ1 LYS 52 1HZ LYS 52 -9.703 3.012 11.426 427 HZ2 LYS 52 2HZ LYS 52 -10.161 2.810 13.042 428 HZ3 LYS 52 3HZ LYS 52 -10.010 1.463 12.032 429 H VAL 53 H VAL 53 -8.460 -0.475 6.889 430 HA VAL 53 HA VAL 53 -6.458 -1.426 5.012 431 HB VAL 53 HB VAL 53 -9.437 -0.895 4.510 432 HG11 VAL 53 1HG1 VAL 53 -7.462 -2.636 2.986 433 HG12 VAL 53 2HG1 VAL 53 -8.065 -1.067 2.449 434 HG13 VAL 53 3HG1 VAL 53 -9.172 -2.433 2.600 435 HG21 VAL 53 1HG2 VAL 53 -9.177 -2.522 6.354 436 HG22 VAL 53 2HG2 VAL 53 -8.129 -3.514 5.337 437 HG23 VAL 53 3HG2 VAL 53 -9.824 -3.294 4.904 438 H ILE 54 H ILE 54 -5.193 0.184 4.228 439 HA ILE 54 HA ILE 54 -6.428 2.695 3.228 440 HB ILE 54 HB ILE 54 -3.511 2.238 4.054 441 HG12 ILE 54 1HG1 ILE 54 -5.728 3.751 5.518 442 HG13 ILE 54 2HG1 ILE 54 -5.056 2.205 6.016 443 HG21 ILE 54 1HG2 ILE 54 -4.950 4.801 3.252 444 HG22 ILE 54 2HG2 ILE 54 -3.774 3.929 2.267 445 HG23 ILE 54 3HG2 ILE 54 -3.266 4.685 3.774 446 HD11 ILE 54 1HD1 ILE 54 -3.598 4.842 5.947 447 HD12 ILE 54 2HD1 ILE 54 -2.895 3.287 6.402 448 HD13 ILE 54 3HD1 ILE 54 -4.193 3.985 7.367 449 H CYS 55 H CYS 55 -6.585 2.681 1.043 450 HA CYS 55 HA CYS 55 -4.729 1.029 -0.574 451 HB2 CYS 55 2HB CYS 55 -7.444 2.236 -1.289 452 HB3 CYS 55 1HB CYS 55 -6.457 1.243 -2.363 453 H VAL 56 H VAL 56 -3.163 2.123 -1.559 454 HA VAL 56 HA VAL 56 -3.302 5.081 -1.786 455 HB VAL 56 HB VAL 56 -0.788 5.060 -1.641 456 HG11 VAL 56 1HG1 VAL 56 -0.629 4.706 0.786 457 HG12 VAL 56 2HG1 VAL 56 -2.170 3.842 0.773 458 HG13 VAL 56 3HG1 VAL 56 -2.118 5.561 0.368 459 HG21 VAL 56 1HG2 VAL 56 0.442 3.115 -0.921 460 HG22 VAL 56 2HG2 VAL 56 -0.477 2.650 -2.351 461 HG23 VAL 56 3HG2 VAL 56 -1.023 2.161 -0.747 462 H ASN 57 H ASN 57 -1.909 5.996 -3.512 463 HA ASN 57 HA ASN 57 -2.627 4.705 -6.011 464 HB2 ASN 57 1HB ASN 57 -2.292 6.840 -7.048 465 HB3 ASN 57 2HB ASN 57 -3.081 7.156 -5.512 466 HD21 ASN 57 1HD2 ASN 57 0.601 8.638 -6.321 467 HD22 ASN 57 2HD2 ASN 57 -0.233 7.566 -7.383 468 HA PRO 58 HA PRO 58 1.461 2.991 -6.743 469 HB2 PRO 58 2HB PRO 58 1.338 2.539 -9.453 470 HB3 PRO 58 1HB PRO 58 0.373 1.605 -8.285 471 HG2 PRO 58 2HG PRO 58 -0.477 4.005 -9.908 472 HG3 PRO 58 1HG PRO 58 -1.294 2.442 -9.708 473 HD2 PRO 58 2HD PRO 58 -2.056 4.562 -8.252 474 HD3 PRO 58 1HD PRO 58 -2.036 2.931 -7.542 475 H ARG 59 H ARG 59 0.522 5.968 -8.327 476 HA ARG 59 HA ARG 59 3.026 6.489 -9.662 477 HB2 ARG 59 1HB ARG 59 0.541 7.515 -10.026 478 HB3 ARG 59 2HB ARG 59 1.163 8.774 -8.979 479 HG2 ARG 59 1HG ARG 59 2.509 7.932 -11.567 480 HG3 ARG 59 2HG ARG 59 1.299 9.206 -11.477 481 HD2 ARG 59 1HD ARG 59 2.736 10.589 -10.143 482 HD3 ARG 59 2HD ARG 59 3.881 9.274 -9.882 483 HE ARG 59 HE ARG 59 3.428 10.653 -12.466 484 HH11 ARG 59 1HH1 ARG 59 5.580 8.924 -10.279 485 HH12 ARG 59 2HH1 ARG 59 6.958 9.091 -11.315 486 HH21 ARG 59 1HH2 ARG 59 5.223 10.845 -13.809 487 HH22 ARG 59 2HH2 ARG 59 6.753 10.186 -13.326 488 H ALA 60 H ALA 60 1.960 6.727 -6.430 489 HA ALA 60 HA ALA 60 3.249 8.948 -5.384 490 HB1 ALA 60 1HB ALA 60 1.600 7.725 -4.130 491 HB2 ALA 60 2HB ALA 60 3.101 7.740 -3.204 492 HB3 ALA 60 3HB ALA 60 2.617 6.287 -4.083 493 H LYS 61 H LYS 61 5.295 9.477 -5.298 494 HA LYS 61 HA LYS 61 7.405 7.822 -6.232 495 HB2 LYS 61 1HB LYS 61 7.567 10.557 -4.888 496 HB3 LYS 61 2HB LYS 61 8.831 9.800 -5.857 497 HG2 LYS 61 1HG LYS 61 7.443 9.932 -7.858 498 HG3 LYS 61 2HG LYS 61 6.089 10.565 -6.923 499 HD2 LYS 61 1HD LYS 61 8.761 11.990 -7.281 500 HD3 LYS 61 2HD LYS 61 7.319 12.304 -8.247 501 HE2 LYS 61 1HE LYS 61 7.307 14.020 -6.631 502 HE3 LYS 61 2HE LYS 61 6.150 12.855 -5.999 503 HZ1 LYS 61 1HZ LYS 61 8.976 13.143 -5.112 504 HZ2 LYS 61 2HZ LYS 61 7.853 12.053 -4.472 505 HZ3 LYS 61 3HZ LYS 61 7.621 13.715 -4.282 506 H TRP 62 H TRP 62 6.521 9.062 -3.000 507 HA TRP 62 HA TRP 62 8.667 8.033 -1.497 508 HB2 TRP 62 2HB TRP 62 7.264 8.376 0.481 509 HB3 TRP 62 1HB TRP 62 6.967 9.700 -0.631 510 HD1 TRP 62 1HD TRP 62 4.526 9.690 -1.918 511 HE1 TRP 62 1HE TRP 62 2.276 8.615 -1.278 512 HE3 TRP 62 3HE TRP 62 6.146 6.408 1.667 513 HZ2 TRP 62 2HZ TRP 62 1.301 6.666 0.499 514 HZ3 TRP 62 3HZ TRP 62 4.481 4.975 2.797 515 HH2 TRP 62 2HH TRP 62 2.109 5.103 2.220 516 H LEU 63 H LEU 63 5.623 6.632 -2.576 517 HA LEU 63 HA LEU 63 5.669 4.240 -1.075 518 HB2 LEU 63 1HB LEU 63 3.614 5.105 -2.078 519 HB3 LEU 63 2HB LEU 63 4.301 4.925 -3.684 520 HG LEU 63 HG LEU 63 4.376 2.423 -3.322 521 HD11 LEU 63 1HD1 LEU 63 2.844 3.054 -0.793 522 HD12 LEU 63 2HD1 LEU 63 4.403 2.245 -0.940 523 HD13 LEU 63 3HD1 LEU 63 2.949 1.452 -1.534 524 HD21 LEU 63 1HD2 LEU 63 1.680 3.778 -3.240 525 HD22 LEU 63 2HD2 LEU 63 1.936 2.078 -3.621 526 HD23 LEU 63 3HD2 LEU 63 2.621 3.318 -4.661 527 H GLN 64 H GLN 64 6.719 5.063 -4.381 528 HA GLN 64 HA GLN 64 7.388 2.467 -5.240 529 HB2 GLN 64 1HB GLN 64 7.055 4.655 -6.615 530 HB3 GLN 64 2HB GLN 64 8.736 5.007 -6.246 531 HG2 GLN 64 1HG GLN 64 7.824 2.477 -7.641 532 HG3 GLN 64 2HG GLN 64 8.276 3.940 -8.507 533 HE21 GLN 64 1HE2 GLN 64 11.131 1.431 -8.152 534 HE22 GLN 64 2HE2 GLN 64 9.453 1.195 -8.488 535 H ARG 65 H ARG 65 9.317 5.029 -3.709 536 HA ARG 65 HA ARG 65 11.815 3.743 -3.572 537 HB2 ARG 65 1HB ARG 65 10.537 5.783 -1.705 538 HB3 ARG 65 2HB ARG 65 12.227 5.297 -1.598 539 HG2 ARG 65 1HG ARG 65 10.942 6.641 -4.001 540 HG3 ARG 65 2HG ARG 65 11.917 7.454 -2.775 541 HD2 ARG 65 1HD ARG 65 12.857 5.292 -4.697 542 HD3 ARG 65 2HD ARG 65 13.266 7.010 -4.755 543 HE ARG 65 HE ARG 65 14.206 6.478 -2.374 544 HH11 ARG 65 1HH1 ARG 65 14.520 4.446 -5.236 545 HH12 ARG 65 2HH1 ARG 65 16.012 3.743 -4.704 546 HH21 ARG 65 1HH2 ARG 65 16.138 5.522 -1.703 547 HH22 ARG 65 2HH2 ARG 65 16.922 4.352 -2.707 548 H LEU 66 H LEU 66 8.990 3.629 -1.457 549 HA LEU 66 HA LEU 66 10.157 2.065 0.624 550 HB2 LEU 66 1HB LEU 66 8.276 3.588 1.015 551 HB3 LEU 66 2HB LEU 66 7.266 2.654 -0.069 552 HG LEU 66 HG LEU 66 7.288 0.745 1.542 553 HD11 LEU 66 1HD1 LEU 66 8.152 1.064 3.836 554 HD12 LEU 66 2HD1 LEU 66 8.896 2.586 3.340 555 HD13 LEU 66 3HD1 LEU 66 9.438 1.062 2.634 556 HD21 LEU 66 1HD2 LEU 66 5.476 2.385 1.650 557 HD22 LEU 66 2HD2 LEU 66 6.420 3.379 2.763 558 HD23 LEU 66 3HD2 LEU 66 5.867 1.782 3.262 559 H LEU 67 H LEU 67 8.367 1.312 -2.336 560 HA LEU 67 HA LEU 67 7.827 -1.429 -1.804 561 HB2 LEU 67 1HB LEU 67 7.993 0.054 -4.455 562 HB3 LEU 67 2HB LEU 67 7.459 -1.611 -4.299 563 HG LEU 67 HG LEU 67 6.027 0.827 -3.166 564 HD11 LEU 67 1HD1 LEU 67 5.246 -0.987 -5.466 565 HD12 LEU 67 2HD1 LEU 67 5.839 0.671 -5.604 566 HD13 LEU 67 3HD1 LEU 67 4.294 0.356 -4.819 567 HD21 LEU 67 1HD2 LEU 67 5.658 -1.065 -1.690 568 HD22 LEU 67 2HD2 LEU 67 5.237 -2.100 -3.057 569 HD23 LEU 67 3HD2 LEU 67 4.194 -0.746 -2.613 570 H ARG 68 H ARG 68 10.464 0.332 -3.358 571 HA ARG 68 HA ARG 68 12.059 -1.904 -4.110 572 HB2 ARG 68 1HB ARG 68 12.820 0.981 -3.472 573 HB3 ARG 68 2HB ARG 68 13.950 -0.211 -4.113 574 HG2 ARG 68 1HG ARG 68 12.540 -0.434 -6.142 575 HG3 ARG 68 2HG ARG 68 11.456 0.812 -5.516 576 HD2 ARG 68 1HD ARG 68 13.057 1.718 -7.171 577 HD3 ARG 68 2HD ARG 68 13.267 2.458 -5.582 578 HE ARG 68 HE ARG 68 15.058 0.397 -5.578 579 HH11 ARG 68 1HH1 ARG 68 14.561 3.111 -7.772 580 HH12 ARG 68 2HH1 ARG 68 16.233 3.198 -8.222 581 HH21 ARG 68 1HH2 ARG 68 17.230 0.535 -6.161 582 HH22 ARG 68 2HH2 ARG 68 17.747 1.734 -7.303 583 H HIS 69 H HIS 69 11.795 0.071 -1.172 584 HA HIS 69 HA HIS 69 14.139 -0.908 0.110 585 HB2 HIS 69 1HB HIS 69 13.007 1.317 0.594 586 HB3 HIS 69 2HB HIS 69 11.761 0.430 1.471 587 HD1 HIS 69 HD1 HIS 69 15.432 1.259 1.600 588 HD2 HIS 69 HD2 HIS 69 12.472 -0.291 4.068 589 HE1 HIS 69 HE1 HIS 69 16.466 1.109 3.879 590 HE2 HIS 69 HE2 HIS 69 14.614 0.289 5.370 591 H VAL 70 H VAL 70 10.761 -1.999 0.168 592 HA VAL 70 HA VAL 70 11.114 -3.738 2.447 593 HB VAL 70 HB VAL 70 8.909 -4.677 1.952 594 HG11 VAL 70 1HG1 VAL 70 8.951 -1.655 1.664 595 HG12 VAL 70 2HG1 VAL 70 9.011 -2.563 3.176 596 HG13 VAL 70 3HG1 VAL 70 7.565 -2.622 2.171 597 HG21 VAL 70 1HG2 VAL 70 7.546 -3.865 0.028 598 HG22 VAL 70 2HG2 VAL 70 8.945 -4.810 -0.482 599 HG23 VAL 70 3HG2 VAL 70 8.976 -3.055 -0.617 600 H GLN 71 H GLN 71 11.806 -4.010 -0.918 601 HA GLN 71 HA GLN 71 12.100 -6.906 -0.961 602 HB2 GLN 71 1HB GLN 71 13.028 -4.793 -2.971 603 HB3 GLN 71 2HB GLN 71 13.012 -6.535 -3.250 604 HG2 GLN 71 1HG GLN 71 10.571 -6.565 -3.113 605 HG3 GLN 71 2HG GLN 71 10.548 -4.843 -2.731 606 HE21 GLN 71 1HE2 GLN 71 9.903 -4.369 -6.140 607 HE22 GLN 71 2HE2 GLN 71 9.310 -4.288 -4.519 608 H SER 72 H SER 72 14.304 -4.135 -1.274 609 HA SER 72 HA SER 72 16.558 -5.707 -0.182 610 HB2 SER 72 1HB SER 72 16.876 -4.890 -2.529 611 HB3 SER 72 2HB SER 72 16.623 -3.230 -1.977 612 HG SER 72 HG SER 72 18.669 -5.008 -1.140 613 H LYS 73 H LYS 73 16.595 -5.257 1.953 614 HA LYS 73 HA LYS 73 16.526 -2.445 2.865 615 HB2 LYS 73 1HB LYS 73 15.425 -3.228 5.010 616 HB3 LYS 73 2HB LYS 73 14.392 -3.269 3.596 617 HG2 LYS 73 1HG LYS 73 15.791 -5.754 4.635 618 HG3 LYS 73 2HG LYS 73 14.217 -5.236 5.244 619 HD2 LYS 73 1HD LYS 73 13.267 -5.415 2.960 620 HD3 LYS 73 2HD LYS 73 14.844 -5.894 2.330 621 HE2 LYS 73 1HE LYS 73 14.752 -7.920 3.798 622 HE3 LYS 73 2HE LYS 73 13.120 -7.450 4.281 623 HZ1 LYS 73 1HZ LYS 73 14.024 -8.153 1.538 624 HZ2 LYS 73 2HZ LYS 73 12.477 -7.584 1.918 625 HZ3 LYS 73 3HZ LYS 73 13.007 -9.065 2.537 626 H SER 74 H SER 74 18.465 -1.976 3.516 627 HA SER 74 HA SER 74 19.794 -3.629 5.562 628 HB2 SER 74 1HB SER 74 22.003 -2.809 4.649 629 HB3 SER 74 2HB SER 74 21.144 -3.861 3.527 630 HG SER 74 HG SER 74 21.576 -1.087 3.399 631 H LEU 75 H LEU 75 21.208 -2.238 6.970 632 HA LEU 75 HA LEU 75 21.340 -0.643 8.550 633 HB2 LEU 75 1HB LEU 75 22.137 0.724 6.633 634 HB3 LEU 75 2HB LEU 75 20.488 1.210 6.285 635 HG LEU 75 HG LEU 75 20.413 2.431 8.482 636 HD11 LEU 75 1HD1 LEU 75 23.342 1.692 8.687 637 HD12 LEU 75 2HD1 LEU 75 22.039 1.142 9.746 638 HD13 LEU 75 3HD1 LEU 75 22.491 2.845 9.719 639 HD21 LEU 75 1HD2 LEU 75 22.687 3.277 6.657 640 HD22 LEU 75 2HD2 LEU 75 21.834 4.310 7.806 641 HD23 LEU 75 3HD2 LEU 75 20.974 3.644 6.422 642 H SER 76 H SER 76 19.293 -2.113 8.963 643 HA SER 76 HA SER 76 16.744 -0.774 9.023 644 HB2 SER 76 1HB SER 76 16.049 -2.864 10.331 645 HB3 SER 76 2HB SER 76 16.701 -3.164 8.721 646 HG SER 76 HG SER 76 17.546 -4.565 10.340 647 H SER 77 H SER 77 17.411 1.130 10.129 648 HA SER 77 HA SER 77 18.602 1.105 12.726 649 HB2 SER 77 1HB SER 77 18.185 3.605 12.575 650 HB3 SER 77 2HB SER 77 19.105 2.925 11.233 651 HG SER 77 HG SER 77 16.323 3.521 11.238 652 H THR 78 H THR 78 17.349 0.080 14.208 653 HA THR 78 HA THR 78 14.934 1.464 15.142 654 HB THR 78 HB THR 78 15.108 -1.578 14.852 655 HG1 THR 78 1HG THR 78 14.217 0.389 13.161 656 HG21 THR 78 1HG2 THR 78 12.734 -1.570 15.545 657 HG22 THR 78 2HG2 THR 78 12.795 0.173 15.793 658 HG23 THR 78 3HG2 THR 78 13.753 -0.899 16.819 659 HA PRO 79 HA PRO 79 17.904 0.949 18.591 660 HB2 PRO 79 2HB PRO 79 17.118 3.060 20.109 661 HB3 PRO 79 1HB PRO 79 17.979 3.300 18.572 662 HG2 PRO 79 2HG PRO 79 15.033 3.510 19.125 663 HG3 PRO 79 1HG PRO 79 16.075 4.593 18.174 664 HD2 PRO 79 2HD PRO 79 14.482 2.642 17.045 665 HD3 PRO 79 1HD PRO 79 15.968 3.253 16.285 666 H GLN 80 H GLN 80 17.805 0.211 20.763 667 HA GLN 80 HA GLN 80 15.526 -1.354 21.487 668 HB2 GLN 80 1HB GLN 80 17.992 -0.665 23.155 669 HB3 GLN 80 2HB GLN 80 16.800 -1.897 23.559 670 HG2 GLN 80 1HG GLN 80 18.630 -1.946 21.134 671 HG3 GLN 80 2HG GLN 80 18.860 -2.865 22.615 672 HE21 GLN 80 1HE2 GLN 80 16.561 -5.378 21.801 673 HE22 GLN 80 2HE2 GLN 80 17.511 -4.631 23.035 674 H ALA 81 H ALA 81 13.769 -0.157 21.849 675 HA ALA 81 HA ALA 81 13.603 2.353 23.096 676 HB1 ALA 81 1HB ALA 81 11.836 1.539 21.588 677 HB2 ALA 81 2HB ALA 81 11.143 1.960 23.156 678 HB3 ALA 81 3HB ALA 81 11.410 0.265 22.732 679 HA PRO 82 HA PRO 82 13.703 1.078 27.479 680 HB2 PRO 82 2HB PRO 82 12.886 3.437 28.630 681 HB3 PRO 82 1HB PRO 82 14.518 3.218 27.958 682 HG2 PRO 82 2HG PRO 82 12.126 4.532 26.687 683 HG3 PRO 82 1HG PRO 82 13.815 5.093 26.751 684 HD2 PRO 82 2HD PRO 82 12.802 3.853 24.549 685 HD3 PRO 82 1HD PRO 82 14.503 3.666 25.032 686 H VAL 83 H VAL 83 10.973 2.146 25.677 687 HA VAL 83 HA VAL 83 8.953 1.665 27.720 688 HB VAL 83 HB VAL 83 8.686 2.309 24.739 689 HG11 VAL 83 1HG1 VAL 83 6.301 2.792 25.213 690 HG12 VAL 83 2HG1 VAL 83 6.514 2.233 26.873 691 HG13 VAL 83 3HG1 VAL 83 6.684 1.097 25.531 692 HG21 VAL 83 1HG2 VAL 83 8.033 4.575 25.507 693 HG22 VAL 83 2HG2 VAL 83 9.666 4.170 26.037 694 HG23 VAL 83 3HG2 VAL 83 8.323 4.090 27.179 695 H SER 84 H SER 84 8.762 -0.447 28.265 696 HA SER 84 HA SER 84 9.148 -2.647 26.469 697 HB2 SER 84 1HB SER 84 7.959 -2.565 29.275 698 HB3 SER 84 2HB SER 84 8.415 -4.033 28.403 699 HG SER 84 HG SER 84 10.573 -2.882 28.258 700 H LYS 85 H LYS 85 7.711 -3.502 25.136 701 HA LYS 85 HA LYS 85 5.101 -2.443 24.747 702 HB2 LYS 85 1HB LYS 85 6.542 -3.308 22.919 703 HB3 LYS 85 2HB LYS 85 6.356 -4.940 23.549 704 HG2 LYS 85 1HG LYS 85 3.989 -4.952 22.994 705 HG3 LYS 85 2HG LYS 85 4.026 -3.237 22.600 706 HD2 LYS 85 1HD LYS 85 3.965 -4.443 20.530 707 HD3 LYS 85 2HD LYS 85 5.583 -3.768 20.693 708 HE2 LYS 85 1HE LYS 85 6.429 -5.987 21.386 709 HE3 LYS 85 2HE LYS 85 4.797 -6.648 21.259 710 HZ1 LYS 85 1HZ LYS 85 6.084 -7.147 19.311 711 HZ2 LYS 85 2HZ LYS 85 6.410 -5.510 19.047 712 HZ3 LYS 85 3HZ LYS 85 4.829 -6.090 18.899 713 H ARG 86 H ARG 86 3.066 -3.492 24.931 714 HA ARG 86 HA ARG 86 1.418 -4.240 26.233 715 HB2 ARG 86 1HB ARG 86 2.167 -6.539 25.629 716 HB3 ARG 86 2HB ARG 86 3.267 -6.539 27.007 717 HG2 ARG 86 1HG ARG 86 1.277 -6.257 28.526 718 HG3 ARG 86 2HG ARG 86 0.231 -6.408 27.114 719 HD2 ARG 86 1HD ARG 86 2.158 -8.523 28.120 720 HD3 ARG 86 2HD ARG 86 0.410 -8.514 28.386 721 HE ARG 86 HE ARG 86 0.586 -8.391 25.697 722 HH11 ARG 86 1HH1 ARG 86 2.037 -10.584 28.037 723 HH12 ARG 86 2HH1 ARG 86 2.075 -11.918 26.929 724 HH21 ARG 86 1HH2 ARG 86 0.650 -10.142 24.270 725 HH22 ARG 86 2HH2 ARG 86 1.292 -11.666 24.799 726 H ARG 87 H ARG 87 1.589 -2.390 27.476 727 HA ARG 87 HA ARG 87 3.058 -2.417 30.001 728 HB2 ARG 87 1HB ARG 87 2.938 -0.341 28.636 729 HB3 ARG 87 2HB ARG 87 1.186 -0.321 28.814 730 HG2 ARG 87 1HG ARG 87 1.415 0.006 31.241 731 HG3 ARG 87 2HG ARG 87 3.172 -0.100 31.107 732 HD2 ARG 87 1HD ARG 87 1.416 2.050 29.880 733 HD3 ARG 87 2HD ARG 87 2.434 2.228 31.313 734 HE ARG 87 HE ARG 87 3.933 1.362 29.027 735 HH11 ARG 87 1HH1 ARG 87 2.560 4.252 30.503 736 HH12 ARG 87 2HH1 ARG 87 3.688 5.319 29.728 737 HH21 ARG 87 1HH2 ARG 87 5.373 2.768 28.017 738 HH22 ARG 87 2HH2 ARG 87 5.277 4.472 28.319 739 H ALA 88 H ALA 88 2.143 -3.163 31.840 740 HA ALA 88 HA ALA 88 -0.654 -3.963 31.968 741 HB1 ALA 88 1HB ALA 88 1.104 -5.424 32.940 742 HB2 ALA 88 2HB ALA 88 -0.027 -4.894 34.186 743 HB3 ALA 88 3HB ALA 88 1.564 -4.138 34.058 744 H ALA 89 H ALA 89 -1.384 -1.726 31.658 745 HA ALA 89 HA ALA 89 -1.452 -0.071 34.125 746 HB1 ALA 89 1HB ALA 89 -0.078 1.003 32.370 747 HB2 ALA 89 2HB ALA 89 -1.560 1.921 32.649 748 HB3 ALA 89 3HB ALA 89 -1.419 0.880 31.229 Start of MODEL 12 1 H1 MET 1 1H MET 1 6.072 -4.164 8.687 2 H2 MET 1 2H MET 1 6.622 -5.762 8.665 3 H3 MET 1 3H MET 1 5.019 -5.417 8.266 4 HA MET 1 HA MET 1 5.671 -4.260 6.302 5 HB2 MET 1 1HB MET 1 8.511 -4.923 7.204 6 HB3 MET 1 2HB MET 1 8.109 -4.319 5.600 7 HG2 MET 1 1HG MET 1 7.634 -2.834 8.197 8 HG3 MET 1 2HG MET 1 8.955 -2.535 7.063 9 HE1 MET 1 1HE MET 1 7.118 -0.143 7.991 10 HE2 MET 1 2HE MET 1 6.735 0.640 6.458 11 HE3 MET 1 3HE MET 1 8.369 0.049 6.760 12 H ILE 2 H ILE 2 4.366 -6.010 5.631 13 HA ILE 2 HA ILE 2 5.864 -8.324 4.509 14 HB ILE 2 HB ILE 2 2.940 -8.271 5.427 15 HG12 ILE 2 1HG1 ILE 2 5.303 -9.818 6.612 16 HG13 ILE 2 2HG1 ILE 2 4.525 -8.417 7.341 17 HG21 ILE 2 1HG2 ILE 2 4.476 -10.643 4.286 18 HG22 ILE 2 2HG2 ILE 2 3.299 -9.683 3.400 19 HG23 ILE 2 3HG2 ILE 2 2.785 -10.622 4.798 20 HD11 ILE 2 1HD1 ILE 2 3.804 -10.453 8.412 21 HD12 ILE 2 2HD1 ILE 2 3.253 -11.110 6.872 22 HD13 ILE 2 3HD1 ILE 2 2.447 -9.702 7.572 23 H LEU 3 H LEU 3 6.143 -7.825 2.382 24 HA LEU 3 HA LEU 3 4.172 -6.354 0.836 25 HB2 LEU 3 1HB LEU 3 6.586 -6.015 0.397 26 HB3 LEU 3 2HB LEU 3 6.775 -7.717 0.015 27 HG LEU 3 HG LEU 3 5.244 -7.375 -1.979 28 HD11 LEU 3 1HD1 LEU 3 4.902 -5.078 -2.834 29 HD12 LEU 3 2HD1 LEU 3 5.514 -4.429 -1.311 30 HD13 LEU 3 3HD1 LEU 3 4.030 -5.383 -1.336 31 HD21 LEU 3 1HD2 LEU 3 7.794 -5.718 -1.980 32 HD22 LEU 3 2HD2 LEU 3 6.956 -6.336 -3.407 33 HD23 LEU 3 3HD2 LEU 3 7.682 -7.459 -2.261 34 H GLU 4 H GLU 4 2.406 -7.370 0.092 35 HA GLU 4 HA GLU 4 2.422 -10.283 -0.404 36 HB2 GLU 4 1HB GLU 4 0.023 -8.433 -0.033 37 HB3 GLU 4 2HB GLU 4 -0.010 -10.192 -0.114 38 HG2 GLU 4 1HG GLU 4 1.276 -10.303 1.988 39 HG3 GLU 4 2HG GLU 4 1.294 -8.543 2.079 40 H ALA 5 H ALA 5 1.708 -11.111 -2.351 41 HA ALA 5 HA ALA 5 1.516 -9.251 -4.646 42 HB1 ALA 5 1HB ALA 5 2.121 -11.215 -6.014 43 HB2 ALA 5 2HB ALA 5 2.144 -12.229 -4.568 44 HB3 ALA 5 3HB ALA 5 3.318 -10.925 -4.750 45 H HIS 6 H HIS 6 -0.541 -8.830 -5.259 46 HA HIS 6 HA HIS 6 -2.761 -10.587 -4.608 47 HB2 HIS 6 1HB HIS 6 -2.940 -8.097 -4.513 48 HB3 HIS 6 2HB HIS 6 -2.702 -8.013 -6.248 49 HD1 HIS 6 HD1 HIS 6 -5.281 -8.106 -3.744 50 HD2 HIS 6 HD2 HIS 6 -4.970 -9.332 -7.701 51 HE1 HIS 6 HE1 HIS 6 -7.638 -8.245 -4.591 52 HE2 HIS 6 HE2 HIS 6 -7.425 -9.156 -6.921 53 H TYR 7 H TYR 7 -2.442 -12.462 -5.750 54 HA TYR 7 HA TYR 7 -2.693 -12.379 -8.709 55 HB2 TYR 7 2HB TYR 7 -0.808 -13.728 -7.704 56 HB3 TYR 7 1HB TYR 7 -1.993 -14.737 -6.886 57 HD1 TYR 7 1HD TYR 7 -0.600 -13.819 -10.226 58 HD2 TYR 7 2HD TYR 7 -3.132 -16.532 -8.105 59 HE1 TYR 7 1HE TYR 7 -0.696 -15.282 -12.197 60 HE2 TYR 7 2HE TYR 7 -3.221 -17.992 -10.080 61 HH TYR 7 HH TYR 7 -2.949 -17.779 -12.536 62 H THR 8 H THR 8 -4.461 -12.765 -5.846 63 HA THR 8 HA THR 8 -6.507 -14.548 -6.708 64 HB THR 8 HB THR 8 -7.808 -13.490 -4.766 65 HG1 THR 8 1HG THR 8 -6.866 -11.487 -4.598 66 HG21 THR 8 1HG2 THR 8 -6.471 -15.551 -4.461 67 HG22 THR 8 2HG2 THR 8 -6.406 -14.533 -3.023 68 HG23 THR 8 3HG2 THR 8 -5.034 -14.577 -4.132 69 H ASN 9 H ASN 9 -7.606 -14.083 -8.478 70 HA ASN 9 HA ASN 9 -8.234 -11.397 -9.394 71 HB2 ASN 9 1HB ASN 9 -9.145 -12.599 -11.391 72 HB3 ASN 9 2HB ASN 9 -7.495 -13.074 -11.014 73 HD21 ASN 9 1HD2 ASN 9 -10.497 -15.806 -10.879 74 HD22 ASN 9 2HD2 ASN 9 -10.814 -14.125 -11.126 75 H LEU 10 H LEU 10 -9.546 -12.432 -6.922 76 HA LEU 10 HA LEU 10 -12.354 -12.826 -7.371 77 HB2 LEU 10 1HB LEU 10 -10.871 -11.991 -4.835 78 HB3 LEU 10 2HB LEU 10 -12.475 -12.699 -4.907 79 HG LEU 10 HG LEU 10 -9.944 -14.184 -5.723 80 HD11 LEU 10 1HD1 LEU 10 -9.846 -13.606 -3.336 81 HD12 LEU 10 2HD1 LEU 10 -10.059 -15.339 -3.568 82 HD13 LEU 10 3HD1 LEU 10 -11.432 -14.342 -3.081 83 HD21 LEU 10 1HD2 LEU 10 -12.786 -15.159 -5.246 84 HD22 LEU 10 2HD2 LEU 10 -11.390 -16.211 -5.490 85 HD23 LEU 10 3HD2 LEU 10 -11.914 -15.139 -6.781 86 H LYS 11 H LYS 11 -13.690 -11.155 -5.709 87 HA LYS 11 HA LYS 11 -13.857 -8.598 -6.798 88 HB2 LYS 11 1HB LYS 11 -15.164 -7.952 -4.775 89 HB3 LYS 11 2HB LYS 11 -15.702 -9.475 -5.465 90 HG2 LYS 11 1HG LYS 11 -14.574 -10.717 -3.651 91 HG3 LYS 11 2HG LYS 11 -13.934 -9.210 -3.005 92 HD2 LYS 11 1HD LYS 11 -15.863 -9.936 -1.688 93 HD3 LYS 11 2HD LYS 11 -16.241 -8.433 -2.529 94 HE2 LYS 11 1HE LYS 11 -17.498 -9.703 -4.235 95 HE3 LYS 11 2HE LYS 11 -17.104 -11.213 -3.411 96 HZ1 LYS 11 1HZ LYS 11 -19.322 -10.442 -2.851 97 HZ2 LYS 11 2HZ LYS 11 -18.707 -8.980 -2.271 98 HZ3 LYS 11 3HZ LYS 11 -18.333 -10.428 -1.479 99 H CYS 12 H CYS 12 -11.889 -7.615 -7.064 100 HA CYS 12 HA CYS 12 -9.936 -7.289 -4.991 101 HB2 CYS 12 2HB CYS 12 -10.169 -5.759 -7.619 102 HB3 CYS 12 1HB CYS 12 -8.721 -5.952 -6.623 103 H ARG 13 H ARG 13 -10.469 -6.143 -3.250 104 HA ARG 13 HA ARG 13 -12.381 -3.910 -3.483 105 HB2 ARG 13 1HB ARG 13 -13.103 -5.801 -2.072 106 HB3 ARG 13 2HB ARG 13 -11.664 -5.634 -1.069 107 HG2 ARG 13 1HG ARG 13 -12.435 -3.360 -0.395 108 HG3 ARG 13 2HG ARG 13 -13.892 -3.585 -1.361 109 HD2 ARG 13 1HD ARG 13 -14.600 -5.434 0.082 110 HD3 ARG 13 2HD ARG 13 -13.092 -5.319 1.006 111 HE ARG 13 HE ARG 13 -14.523 -2.835 0.959 112 HH11 ARG 13 1HH1 ARG 13 -14.424 -5.945 2.609 113 HH12 ARG 13 2HH1 ARG 13 -15.184 -5.333 4.044 114 HH21 ARG 13 1HH2 ARG 13 -15.528 -2.061 2.825 115 HH22 ARG 13 2HH2 ARG 13 -15.811 -3.121 4.171 116 H CYS 14 H CYS 14 -11.165 -2.172 -3.834 117 HA CYS 14 HA CYS 14 -9.139 -1.358 -1.848 118 HB2 CYS 14 2HB CYS 14 -8.447 -1.138 -4.174 119 HB3 CYS 14 1HB CYS 14 -9.913 -0.250 -4.577 120 H SER 15 H SER 15 -9.359 0.750 -0.884 121 HA SER 15 HA SER 15 -12.147 1.601 -0.408 122 HB2 SER 15 1HB SER 15 -10.705 0.968 1.536 123 HB3 SER 15 2HB SER 15 -9.588 2.267 1.125 124 HG SER 15 HG SER 15 -12.028 2.355 2.391 125 H GLY 16 H GLY 16 -9.996 2.388 -2.653 126 HA2 GLY 16 1HA GLY 16 -9.785 4.284 -4.004 127 HA3 GLY 16 2HA GLY 16 -10.560 5.259 -2.758 128 H VAL 17 H VAL 17 -8.165 6.144 -4.059 129 HA VAL 17 HA VAL 17 -5.940 5.320 -2.287 130 HB VAL 17 HB VAL 17 -4.390 6.130 -4.003 131 HG11 VAL 17 1HG1 VAL 17 -4.904 4.521 -5.822 132 HG12 VAL 17 2HG1 VAL 17 -6.547 4.346 -5.197 133 HG13 VAL 17 3HG1 VAL 17 -5.170 3.829 -4.222 134 HG21 VAL 17 1HG2 VAL 17 -5.164 6.963 -6.217 135 HG22 VAL 17 2HG2 VAL 17 -5.628 8.047 -4.906 136 HG23 VAL 17 3HG2 VAL 17 -6.831 6.975 -5.623 137 H ILE 18 H ILE 18 -4.915 6.724 -0.969 138 HA ILE 18 HA ILE 18 -5.977 9.497 -0.778 139 HB ILE 18 HB ILE 18 -5.176 7.795 1.644 140 HG12 ILE 18 1HG1 ILE 18 -8.034 8.116 0.576 141 HG13 ILE 18 2HG1 ILE 18 -7.073 6.650 0.440 142 HG21 ILE 18 1HG2 ILE 18 -6.526 9.444 2.916 143 HG22 ILE 18 2HG2 ILE 18 -6.899 10.307 1.424 144 HG23 ILE 18 3HG2 ILE 18 -5.239 10.233 2.013 145 HD11 ILE 18 1HD1 ILE 18 -8.672 6.449 2.225 146 HD12 ILE 18 2HD1 ILE 18 -8.057 7.903 3.002 147 HD13 ILE 18 3HD1 ILE 18 -7.041 6.461 2.896 148 H SER 19 H SER 19 -4.443 11.086 -0.465 149 HA SER 19 HA SER 19 -1.682 10.476 -0.958 150 HB2 SER 19 1HB SER 19 -1.439 12.980 -0.923 151 HB3 SER 19 2HB SER 19 -2.720 12.412 -1.993 152 HG SER 19 HG SER 19 -2.895 13.820 0.412 153 H THR 20 H THR 20 -3.043 9.881 1.808 154 HA THR 20 HA THR 20 -1.432 11.290 3.712 155 HB THR 20 HB THR 20 -2.354 9.508 5.308 156 HG1 THR 20 1HG THR 20 -2.739 7.939 3.561 157 HG21 THR 20 1HG2 THR 20 -4.655 10.395 5.281 158 HG22 THR 20 2HG2 THR 20 -4.386 11.074 3.676 159 HG23 THR 20 3HG2 THR 20 -3.477 11.690 5.060 160 H VAL 21 H VAL 21 0.734 10.935 3.733 161 HA VAL 21 HA VAL 21 2.031 8.448 3.200 162 HB VAL 21 HB VAL 21 3.017 10.866 4.807 163 HG11 VAL 21 1HG1 VAL 21 5.303 9.951 4.515 164 HG12 VAL 21 2HG1 VAL 21 4.634 8.509 3.745 165 HG13 VAL 21 3HG1 VAL 21 4.281 8.848 5.441 166 HG21 VAL 21 1HG2 VAL 21 2.541 11.417 2.448 167 HG22 VAL 21 2HG2 VAL 21 3.564 10.084 1.909 168 HG23 VAL 21 3HG2 VAL 21 4.277 11.461 2.754 169 H VAL 22 H VAL 22 1.639 6.700 4.386 170 HA VAL 22 HA VAL 22 0.518 6.811 7.048 171 HB VAL 22 HB VAL 22 1.371 4.346 5.436 172 HG11 VAL 22 1HG1 VAL 22 -0.239 3.117 6.854 173 HG12 VAL 22 2HG1 VAL 22 -0.578 4.593 7.764 174 HG13 VAL 22 3HG1 VAL 22 1.029 3.870 7.823 175 HG21 VAL 22 1HG2 VAL 22 -0.973 4.178 4.679 176 HG22 VAL 22 2HG2 VAL 22 -0.241 5.688 4.138 177 HG23 VAL 22 3HG2 VAL 22 -1.362 5.693 5.501 178 H GLY 23 H GLY 23 1.557 6.296 8.944 179 HA2 GLY 23 1HA GLY 23 4.305 6.759 9.244 180 HA3 GLY 23 2HA GLY 23 3.240 6.082 10.466 181 H LEU 24 H LEU 24 6.065 5.478 9.194 182 HA LEU 24 HA LEU 24 5.929 2.925 7.960 183 HB2 LEU 24 1HB LEU 24 8.349 4.109 9.376 184 HB3 LEU 24 2HB LEU 24 8.355 2.881 8.118 185 HG LEU 24 HG LEU 24 7.642 5.817 7.777 186 HD11 LEU 24 1HD1 LEU 24 10.011 4.238 6.733 187 HD12 LEU 24 2HD1 LEU 24 10.037 5.443 8.023 188 HD13 LEU 24 3HD1 LEU 24 9.656 5.931 6.375 189 HD21 LEU 24 1HD2 LEU 24 6.210 4.586 6.265 190 HD22 LEU 24 2HD2 LEU 24 7.566 3.614 5.690 191 HD23 LEU 24 3HD2 LEU 24 7.500 5.341 5.334 192 H ASN 25 H ASN 25 6.021 3.897 11.273 193 HA ASN 25 HA ASN 25 6.847 1.369 12.388 194 HB2 ASN 25 1HB ASN 25 7.237 3.589 13.505 195 HB3 ASN 25 2HB ASN 25 5.506 3.732 13.772 196 HD21 ASN 25 1HD2 ASN 25 6.200 2.464 16.958 197 HD22 ASN 25 2HD2 ASN 25 5.756 3.832 16.003 198 H ILE 26 H ILE 26 3.808 2.691 11.293 199 HA ILE 26 HA ILE 26 2.315 0.519 12.638 200 HB ILE 26 HB ILE 26 0.257 1.765 12.375 201 HG12 ILE 26 1HG1 ILE 26 1.881 3.973 11.010 202 HG13 ILE 26 2HG1 ILE 26 0.761 2.891 10.192 203 HG21 ILE 26 1HG2 ILE 26 2.428 3.556 13.527 204 HG22 ILE 26 2HG2 ILE 26 1.615 2.239 14.374 205 HG23 ILE 26 3HG2 ILE 26 0.701 3.666 13.883 206 HD11 ILE 26 1HD1 ILE 26 -1.087 3.842 11.520 207 HD12 ILE 26 2HD1 ILE 26 -0.258 5.044 10.531 208 HD13 ILE 26 3HD1 ILE 26 0.056 4.965 12.264 209 H ILE 27 H ILE 27 3.471 1.467 9.522 210 HA ILE 27 HA ILE 27 1.564 0.161 7.873 211 HB ILE 27 HB ILE 27 4.563 0.558 7.380 212 HG12 ILE 27 1HG1 ILE 27 2.135 2.044 6.265 213 HG13 ILE 27 2HG1 ILE 27 3.252 2.663 7.471 214 HG21 ILE 27 1HG2 ILE 27 3.789 -1.372 6.045 215 HG22 ILE 27 2HG2 ILE 27 4.124 -0.002 4.993 216 HG23 ILE 27 3HG2 ILE 27 2.455 -0.417 5.391 217 HD11 ILE 27 1HD1 ILE 27 3.692 3.642 5.315 218 HD12 ILE 27 2HD1 ILE 27 3.904 2.049 4.590 219 HD13 ILE 27 3HD1 ILE 27 5.056 2.631 5.796 220 H ASP 28 H ASP 28 0.929 -1.872 8.195 221 HA ASP 28 HA ASP 28 2.678 -3.890 9.386 222 HB2 ASP 28 1HB ASP 28 0.249 -3.510 10.098 223 HB3 ASP 28 2HB ASP 28 -0.242 -4.177 8.553 224 H ARG 29 H ARG 29 0.614 -3.524 6.476 225 HA ARG 29 HA ARG 29 2.343 -5.371 4.948 226 HB2 ARG 29 1HB ARG 29 -0.695 -5.679 5.165 227 HB3 ARG 29 2HB ARG 29 0.338 -6.590 4.062 228 HG2 ARG 29 1HG ARG 29 1.466 -7.659 5.952 229 HG3 ARG 29 2HG ARG 29 0.545 -6.677 7.086 230 HD2 ARG 29 1HD ARG 29 -1.548 -7.772 6.214 231 HD3 ARG 29 2HD ARG 29 -0.518 -8.855 5.266 232 HE ARG 29 HE ARG 29 -0.404 -8.660 8.228 233 HH11 ARG 29 1HH1 ARG 29 -0.453 -10.665 5.328 234 HH12 ARG 29 2HH1 ARG 29 -0.298 -12.153 6.212 235 HH21 ARG 29 1HH2 ARG 29 -0.234 -10.606 9.372 236 HH22 ARG 29 2HH2 ARG 29 -0.173 -12.120 8.516 237 H ILE 30 H ILE 30 2.362 -5.018 2.747 238 HA ILE 30 HA ILE 30 0.626 -2.929 1.558 239 HB ILE 30 HB ILE 30 3.635 -3.301 1.055 240 HG12 ILE 30 1HG1 ILE 30 2.117 -0.918 2.237 241 HG13 ILE 30 2HG1 ILE 30 3.165 -2.016 3.123 242 HG21 ILE 30 1HG2 ILE 30 1.717 -1.401 -0.365 243 HG22 ILE 30 2HG2 ILE 30 2.499 -2.816 -1.072 244 HG23 ILE 30 3HG2 ILE 30 3.470 -1.434 -0.574 245 HD11 ILE 30 1HD1 ILE 30 4.270 0.085 2.706 246 HD12 ILE 30 2HD1 ILE 30 4.023 -0.087 0.970 247 HD13 ILE 30 3HD1 ILE 30 5.089 -1.206 1.825 248 H GLN 31 H GLN 31 -0.689 -4.177 0.261 249 HA GLN 31 HA GLN 31 0.469 -6.423 -1.263 250 HB2 GLN 31 1HB GLN 31 -1.534 -6.924 0.099 251 HB3 GLN 31 2HB GLN 31 -2.450 -5.699 -0.773 252 HG2 GLN 31 1HG GLN 31 -2.390 -6.987 -2.808 253 HG3 GLN 31 2HG GLN 31 -1.227 -8.126 -2.133 254 HE21 GLN 31 1HE2 GLN 31 -3.997 -9.328 0.146 255 HE22 GLN 31 2HE2 GLN 31 -2.564 -8.410 0.443 256 H VAL 32 H VAL 32 0.927 -6.148 -3.308 257 HA VAL 32 HA VAL 32 -0.035 -3.772 -4.754 258 HB VAL 32 HB VAL 32 1.819 -4.231 -6.382 259 HG11 VAL 32 1HG1 VAL 32 2.719 -3.927 -3.484 260 HG12 VAL 32 2HG1 VAL 32 2.164 -2.635 -4.548 261 HG13 VAL 32 3HG1 VAL 32 3.666 -3.481 -4.909 262 HG21 VAL 32 1HG2 VAL 32 2.079 -6.685 -6.028 263 HG22 VAL 32 2HG2 VAL 32 2.750 -6.386 -4.425 264 HG23 VAL 32 3HG2 VAL 32 3.613 -5.831 -5.858 265 H THR 33 H THR 33 -1.649 -3.992 -6.103 266 HA THR 33 HA THR 33 -2.280 -6.551 -7.435 267 HB THR 33 HB THR 33 -3.984 -4.038 -7.144 268 HG1 THR 33 1HG THR 33 -4.820 -4.908 -5.403 269 HG21 THR 33 1HG2 THR 33 -4.598 -5.291 -9.170 270 HG22 THR 33 2HG2 THR 33 -5.866 -5.421 -7.951 271 HG23 THR 33 3HG2 THR 33 -4.764 -6.772 -8.222 272 HA PRO 34 HA PRO 34 -0.485 -4.176 -11.005 273 HB2 PRO 34 2HB PRO 34 0.313 -6.310 -12.490 274 HB3 PRO 34 1HB PRO 34 1.205 -5.808 -11.039 275 HG2 PRO 34 2HG PRO 34 -0.778 -8.036 -11.351 276 HG3 PRO 34 1HG PRO 34 0.789 -8.035 -10.509 277 HD2 PRO 34 2HD PRO 34 -1.624 -7.720 -9.224 278 HD3 PRO 34 1HD PRO 34 -0.090 -7.074 -8.601 279 HA PRO 35 HA PRO 35 -3.985 -4.208 -13.862 280 HB2 PRO 35 2HB PRO 35 -2.767 -3.753 -16.317 281 HB3 PRO 35 1HB PRO 35 -3.005 -2.489 -15.092 282 HG2 PRO 35 2HG PRO 35 -0.542 -4.100 -15.688 283 HG3 PRO 35 1HG PRO 35 -0.701 -2.361 -15.347 284 HD2 PRO 35 2HD PRO 35 0.117 -4.097 -13.448 285 HD3 PRO 35 1HD PRO 35 -0.884 -2.683 -13.050 286 H GLY 36 H GLY 36 -4.605 -6.396 -13.560 287 HA2 GLY 36 1HA GLY 36 -3.603 -8.434 -15.472 288 HA3 GLY 36 2HA GLY 36 -4.444 -8.751 -13.964 289 H ASN 37 H ASN 37 -6.573 -9.206 -14.085 290 HA ASN 37 HA ASN 37 -8.229 -8.336 -16.342 291 HB2 ASN 37 1HB ASN 37 -7.259 -10.440 -17.180 292 HB3 ASN 37 2HB ASN 37 -7.695 -11.277 -15.698 293 HD21 ASN 37 1HD2 ASN 37 -10.437 -12.506 -17.509 294 HD22 ASN 37 2HD2 ASN 37 -8.919 -12.842 -16.751 295 H GLY 38 H GLY 38 -8.080 -10.391 -13.408 296 HA2 GLY 38 1HA GLY 38 -10.843 -10.485 -12.870 297 HA3 GLY 38 2HA GLY 38 -9.564 -10.814 -11.716 298 H CYS 39 H CYS 39 -8.362 -8.215 -11.766 299 HA CYS 39 HA CYS 39 -10.209 -6.722 -10.075 300 HB2 CYS 39 2HB CYS 39 -7.325 -6.103 -10.846 301 HB3 CYS 39 1HB CYS 39 -8.261 -5.295 -9.584 302 HA PRO 40 HA PRO 40 -11.528 -4.057 -13.483 303 HB2 PRO 40 2HB PRO 40 -12.614 -1.962 -12.087 304 HB3 PRO 40 1HB PRO 40 -13.390 -3.559 -12.149 305 HG2 PRO 40 2HG PRO 40 -11.627 -2.411 -9.998 306 HG3 PRO 40 1HG PRO 40 -13.195 -3.240 -9.839 307 HD2 PRO 40 2HD PRO 40 -10.869 -4.548 -9.426 308 HD3 PRO 40 1HD PRO 40 -12.265 -5.359 -10.173 309 H LYS 41 H LYS 41 -9.188 -3.106 -11.118 310 HA LYS 41 HA LYS 41 -7.885 -1.236 -12.930 311 HB2 LYS 41 1HB LYS 41 -7.778 0.570 -11.229 312 HB3 LYS 41 2HB LYS 41 -9.441 0.225 -11.699 313 HG2 LYS 41 1HG LYS 41 -9.743 -1.121 -9.633 314 HG3 LYS 41 2HG LYS 41 -8.084 -0.743 -9.152 315 HD2 LYS 41 1HD LYS 41 -8.671 1.669 -9.074 316 HD3 LYS 41 2HD LYS 41 -10.329 1.273 -9.541 317 HE2 LYS 41 1HE LYS 41 -10.573 -0.067 -7.462 318 HE3 LYS 41 2HE LYS 41 -8.932 0.390 -6.990 319 HZ1 LYS 41 1HZ LYS 41 -10.558 1.795 -5.921 320 HZ2 LYS 41 2HZ LYS 41 -11.211 2.251 -7.411 321 HZ3 LYS 41 3HZ LYS 41 -9.639 2.715 -7.002 322 H THR 42 H THR 42 -5.792 -0.477 -11.990 323 HA THR 42 HA THR 42 -4.347 -2.476 -10.425 324 HB THR 42 HB THR 42 -3.446 0.236 -11.534 325 HG1 THR 42 1HG THR 42 -3.488 -2.371 -12.638 326 HG21 THR 42 1HG2 THR 42 -1.151 -0.662 -11.366 327 HG22 THR 42 2HG2 THR 42 -1.772 -2.143 -10.634 328 HG23 THR 42 3HG2 THR 42 -1.913 -0.608 -9.774 329 H GLU 43 H GLU 43 -3.782 -2.206 -8.238 330 HA GLU 43 HA GLU 43 -4.397 0.275 -6.809 331 HB2 GLU 43 1HB GLU 43 -6.039 -0.863 -5.233 332 HB3 GLU 43 2HB GLU 43 -6.651 -0.607 -6.861 333 HG2 GLU 43 1HG GLU 43 -6.201 -2.982 -7.401 334 HG3 GLU 43 2HG GLU 43 -5.612 -3.241 -5.762 335 H VAL 44 H VAL 44 -3.387 0.385 -4.774 336 HA VAL 44 HA VAL 44 -1.826 -1.987 -3.904 337 HB VAL 44 HB VAL 44 -0.896 0.931 -3.743 338 HG11 VAL 44 1HG1 VAL 44 1.239 -0.031 -2.885 339 HG12 VAL 44 2HG1 VAL 44 0.495 -1.628 -2.841 340 HG13 VAL 44 3HG1 VAL 44 -0.118 -0.339 -1.805 341 HG21 VAL 44 1HG2 VAL 44 0.859 0.272 -5.364 342 HG22 VAL 44 2HG2 VAL 44 -0.750 0.064 -6.043 343 HG23 VAL 44 3HG2 VAL 44 0.157 -1.340 -5.487 344 H VAL 45 H VAL 45 -2.808 -2.691 -2.119 345 HA VAL 45 HA VAL 45 -4.294 -0.816 -0.391 346 HB VAL 45 HB VAL 45 -4.430 -3.874 -0.463 347 HG11 VAL 45 1HG1 VAL 45 -6.277 -1.851 0.865 348 HG12 VAL 45 2HG1 VAL 45 -5.156 -2.943 1.686 349 HG13 VAL 45 3HG1 VAL 45 -6.534 -3.600 0.803 350 HG21 VAL 45 1HG2 VAL 45 -6.559 -3.620 -1.712 351 HG22 VAL 45 2HG2 VAL 45 -5.200 -2.962 -2.621 352 HG23 VAL 45 3HG2 VAL 45 -6.313 -1.872 -1.794 353 H ILE 46 H ILE 46 -3.054 -0.060 1.246 354 HA ILE 46 HA ILE 46 -1.082 -1.738 2.638 355 HB ILE 46 HB ILE 46 -1.761 1.231 3.022 356 HG12 ILE 46 1HG1 ILE 46 0.584 -0.078 1.558 357 HG13 ILE 46 2HG1 ILE 46 -0.720 0.839 0.816 358 HG21 ILE 46 1HG2 ILE 46 0.305 1.368 4.382 359 HG22 ILE 46 2HG2 ILE 46 0.556 -0.368 4.196 360 HG23 ILE 46 3HG2 ILE 46 -0.842 0.227 5.091 361 HD11 ILE 46 1HD1 ILE 46 1.416 1.926 2.653 362 HD12 ILE 46 2HD1 ILE 46 0.088 2.869 1.970 363 HD13 ILE 46 3HD1 ILE 46 1.299 2.151 0.910 364 H TRP 47 H TRP 47 -1.691 -2.825 4.460 365 HA TRP 47 HA TRP 47 -3.918 -1.854 6.141 366 HB2 TRP 47 2HB TRP 47 -2.319 -4.456 6.196 367 HB3 TRP 47 1HB TRP 47 -3.515 -4.028 7.421 368 HD1 TRP 47 1HD TRP 47 -6.096 -4.213 6.745 369 HE1 TRP 47 1HE TRP 47 -7.294 -5.322 4.761 370 HE3 TRP 47 3HE TRP 47 -2.084 -4.955 3.676 371 HZ2 TRP 47 2HZ TRP 47 -6.640 -6.391 2.236 372 HZ3 TRP 47 3HZ TRP 47 -2.452 -6.022 1.501 373 HH2 TRP 47 2HH TRP 47 -4.677 -6.727 0.785 374 H THR 48 H THR 48 -3.572 -0.945 8.091 375 HA THR 48 HA THR 48 -0.843 -0.604 9.116 376 HB THR 48 HB THR 48 -1.945 0.770 10.911 377 HG1 THR 48 1HG THR 48 -4.333 1.196 9.972 378 HG21 THR 48 1HG2 THR 48 -2.796 1.540 8.095 379 HG22 THR 48 2HG2 THR 48 -1.221 1.876 8.821 380 HG23 THR 48 3HG2 THR 48 -2.674 2.636 9.473 381 H LYS 49 H LYS 49 -0.643 -0.954 11.604 382 HA LYS 49 HA LYS 49 -1.097 -3.726 12.201 383 HB2 LYS 49 1HB LYS 49 -0.009 -1.460 13.919 384 HB3 LYS 49 2HB LYS 49 -0.018 -3.159 14.400 385 HG2 LYS 49 1HG LYS 49 1.438 -3.736 12.517 386 HG3 LYS 49 2HG LYS 49 1.426 -2.050 11.971 387 HD2 LYS 49 1HD LYS 49 2.540 -1.344 14.032 388 HD3 LYS 49 2HD LYS 49 2.484 -2.998 14.655 389 HE2 LYS 49 1HE LYS 49 3.954 -3.743 12.827 390 HE3 LYS 49 2HE LYS 49 3.993 -2.097 12.182 391 HZ1 LYS 49 1HZ LYS 49 4.944 -2.852 14.894 392 HZ2 LYS 49 2HZ LYS 49 5.102 -1.340 14.145 393 HZ3 LYS 49 3HZ LYS 49 5.940 -2.676 13.544 394 H MET 50 H MET 50 -2.807 -0.808 12.839 395 HA MET 50 HA MET 50 -4.654 -1.915 14.792 396 HB2 MET 50 1HB MET 50 -4.788 0.605 13.082 397 HB3 MET 50 2HB MET 50 -5.906 0.211 14.381 398 HG2 MET 50 1HG MET 50 -4.155 0.426 16.029 399 HG3 MET 50 2HG MET 50 -2.936 0.620 14.768 400 HE1 MET 50 1HE MET 50 -4.252 2.575 12.670 401 HE2 MET 50 2HE MET 50 -2.621 2.799 13.309 402 HE3 MET 50 3HE MET 50 -3.759 4.146 13.304 403 H LYS 51 H LYS 51 -4.149 -2.396 11.551 404 HA LYS 51 HA LYS 51 -5.082 -3.678 9.991 405 HB2 LYS 51 1HB LYS 51 -7.249 -4.243 12.057 406 HB3 LYS 51 2HB LYS 51 -7.044 -5.118 10.540 407 HG2 LYS 51 1HG LYS 51 -4.819 -5.890 11.264 408 HG3 LYS 51 2HG LYS 51 -4.985 -4.982 12.770 409 HD2 LYS 51 1HD LYS 51 -6.916 -6.416 13.408 410 HD3 LYS 51 2HD LYS 51 -6.723 -7.331 11.906 411 HE2 LYS 51 1HE LYS 51 -4.425 -7.987 12.638 412 HE3 LYS 51 2HE LYS 51 -4.684 -7.124 14.156 413 HZ1 LYS 51 1HZ LYS 51 -6.450 -8.640 14.711 414 HZ2 LYS 51 2HZ LYS 51 -5.059 -9.523 14.333 415 HZ3 LYS 51 3HZ LYS 51 -6.322 -9.424 13.215 416 H LYS 52 H LYS 52 -5.818 -0.791 10.445 417 HA LYS 52 HA LYS 52 -8.300 -0.406 9.043 418 HB2 LYS 52 1HB LYS 52 -6.026 1.465 9.792 419 HB3 LYS 52 2HB LYS 52 -7.278 1.998 8.681 420 HG2 LYS 52 1HG LYS 52 -7.857 2.803 10.855 421 HG3 LYS 52 2HG LYS 52 -8.995 1.512 10.459 422 HD2 LYS 52 1HD LYS 52 -7.638 -0.056 11.851 423 HD3 LYS 52 2HD LYS 52 -6.564 1.280 12.269 424 HE2 LYS 52 1HE LYS 52 -8.089 0.937 14.101 425 HE3 LYS 52 2HE LYS 52 -8.536 2.449 13.311 426 HZ1 LYS 52 1HZ LYS 52 -9.884 -0.175 12.955 427 HZ2 LYS 52 2HZ LYS 52 -10.309 1.249 12.158 428 HZ3 LYS 52 3HZ LYS 52 -10.480 1.139 13.835 429 H VAL 53 H VAL 53 -8.647 -0.043 6.923 430 HA VAL 53 HA VAL 53 -6.624 -1.070 5.038 431 HB VAL 53 HB VAL 53 -9.661 -0.773 4.714 432 HG11 VAL 53 1HG1 VAL 53 -9.442 -2.251 2.764 433 HG12 VAL 53 2HG1 VAL 53 -7.693 -2.316 2.987 434 HG13 VAL 53 3HG1 VAL 53 -8.469 -0.792 2.553 435 HG21 VAL 53 1HG2 VAL 53 -8.073 -3.283 5.402 436 HG22 VAL 53 2HG2 VAL 53 -9.812 -3.209 5.101 437 HG23 VAL 53 3HG2 VAL 53 -9.125 -2.387 6.501 438 H ILE 54 H ILE 54 -5.513 0.569 4.061 439 HA ILE 54 HA ILE 54 -7.005 2.865 2.889 440 HB ILE 54 HB ILE 54 -4.121 2.857 3.951 441 HG12 ILE 54 1HG1 ILE 54 -6.569 4.343 5.043 442 HG13 ILE 54 2HG1 ILE 54 -5.825 2.932 5.783 443 HG21 ILE 54 1HG2 ILE 54 -5.676 5.173 2.718 444 HG22 ILE 54 2HG2 ILE 54 -4.349 4.299 1.955 445 HG23 ILE 54 3HG2 ILE 54 -4.048 5.263 3.396 446 HD11 ILE 54 1HD1 ILE 54 -4.599 5.673 5.493 447 HD12 ILE 54 2HD1 ILE 54 -3.763 4.263 6.150 448 HD13 ILE 54 3HD1 ILE 54 -5.182 4.910 6.971 449 H CYS 55 H CYS 55 -6.535 3.234 0.662 450 HA CYS 55 HA CYS 55 -4.485 1.503 -0.604 451 HB2 CYS 55 2HB CYS 55 -6.725 3.065 -1.941 452 HB3 CYS 55 1HB CYS 55 -5.538 2.070 -2.764 453 H VAL 56 H VAL 56 -3.117 2.470 -2.156 454 HA VAL 56 HA VAL 56 -2.819 5.396 -2.190 455 HB VAL 56 HB VAL 56 -0.307 5.140 -2.002 456 HG11 VAL 56 1HG1 VAL 56 -1.534 5.926 -0.048 457 HG12 VAL 56 2HG1 VAL 56 -0.249 4.837 0.486 458 HG13 VAL 56 3HG1 VAL 56 -1.917 4.271 0.435 459 HG21 VAL 56 1HG2 VAL 56 -0.174 2.717 -2.581 460 HG22 VAL 56 2HG2 VAL 56 -0.923 2.312 -1.035 461 HG23 VAL 56 3HG2 VAL 56 0.658 3.087 -1.071 462 H ASN 57 H ASN 57 -1.689 6.155 -4.077 463 HA ASN 57 HA ASN 57 -2.282 4.652 -6.430 464 HB2 ASN 57 1HB ASN 57 -1.332 6.569 -7.692 465 HB3 ASN 57 2HB ASN 57 -2.510 7.082 -6.497 466 HD21 ASN 57 1HD2 ASN 57 0.754 9.132 -6.519 467 HD22 ASN 57 2HD2 ASN 57 -0.130 8.451 -7.840 468 HA PRO 58 HA PRO 58 1.433 2.132 -6.766 469 HB2 PRO 58 2HB PRO 58 1.125 2.605 -9.740 470 HB3 PRO 58 1HB PRO 58 1.329 1.079 -8.851 471 HG2 PRO 58 2HG PRO 58 -1.051 1.798 -9.805 472 HG3 PRO 58 1HG PRO 58 -0.903 0.968 -8.243 473 HD2 PRO 58 2HD PRO 58 -1.495 3.849 -8.799 474 HD3 PRO 58 1HD PRO 58 -2.042 2.808 -7.465 475 H ARG 59 H ARG 59 1.261 5.224 -8.533 476 HA ARG 59 HA ARG 59 4.189 5.250 -8.950 477 HB2 ARG 59 1HB ARG 59 1.971 6.947 -10.172 478 HB3 ARG 59 2HB ARG 59 3.671 7.329 -10.374 479 HG2 ARG 59 1HG ARG 59 2.983 6.214 -12.356 480 HG3 ARG 59 2HG ARG 59 3.984 5.072 -11.462 481 HD2 ARG 59 1HD ARG 59 1.966 3.904 -10.682 482 HD3 ARG 59 2HD ARG 59 0.944 5.071 -11.533 483 HE ARG 59 HE ARG 59 2.897 3.594 -13.133 484 HH11 ARG 59 1HH1 ARG 59 -0.453 3.799 -12.095 485 HH12 ARG 59 2HH1 ARG 59 -1.036 2.809 -13.392 486 HH21 ARG 59 1HH2 ARG 59 2.123 2.326 -14.831 487 HH22 ARG 59 2HH2 ARG 59 0.427 1.971 -14.945 488 H ALA 60 H ALA 60 2.671 5.881 -6.304 489 HA ALA 60 HA ALA 60 3.347 8.590 -5.666 490 HB1 ALA 60 1HB ALA 60 2.944 6.194 -3.839 491 HB2 ALA 60 2HB ALA 60 1.746 7.403 -4.273 492 HB3 ALA 60 3HB ALA 60 3.129 7.857 -3.283 493 H LYS 61 H LYS 61 5.272 9.464 -5.052 494 HA LYS 61 HA LYS 61 7.704 8.246 -5.726 495 HB2 LYS 61 1HB LYS 61 7.396 10.686 -5.771 496 HB3 LYS 61 2HB LYS 61 7.114 10.715 -4.045 497 HG2 LYS 61 1HG LYS 61 9.280 11.579 -4.311 498 HG3 LYS 61 2HG LYS 61 9.524 9.931 -3.750 499 HD2 LYS 61 1HD LYS 61 11.128 10.539 -5.509 500 HD3 LYS 61 2HD LYS 61 10.101 9.217 -6.041 501 HE2 LYS 61 1HE LYS 61 8.738 10.797 -7.362 502 HE3 LYS 61 2HE LYS 61 9.730 12.141 -6.790 503 HZ1 LYS 61 1HZ LYS 61 10.405 11.452 -8.987 504 HZ2 LYS 61 2HZ LYS 61 10.656 9.867 -8.466 505 HZ3 LYS 61 3HZ LYS 61 11.646 11.110 -7.888 506 H TRP 62 H TRP 62 6.357 9.029 -2.516 507 HA TRP 62 HA TRP 62 8.437 7.957 -0.954 508 HB2 TRP 62 2HB TRP 62 6.915 8.140 0.950 509 HB3 TRP 62 1HB TRP 62 6.747 9.557 -0.075 510 HD1 TRP 62 1HD TRP 62 4.415 9.606 -1.654 511 HE1 TRP 62 1HE TRP 62 2.073 8.718 -1.095 512 HE3 TRP 62 3HE TRP 62 5.616 6.380 2.148 513 HZ2 TRP 62 2HZ TRP 62 0.888 6.948 0.697 514 HZ3 TRP 62 3HZ TRP 62 3.794 5.119 3.234 515 HH2 TRP 62 2HH TRP 62 1.472 5.393 2.515 516 H LEU 63 H LEU 63 5.515 6.470 -2.289 517 HA LEU 63 HA LEU 63 5.654 3.960 -0.982 518 HB2 LEU 63 1HB LEU 63 3.627 4.685 -2.151 519 HB3 LEU 63 2HB LEU 63 4.491 4.703 -3.680 520 HG LEU 63 HG LEU 63 4.802 2.204 -3.470 521 HD11 LEU 63 1HD1 LEU 63 3.319 0.939 -1.940 522 HD12 LEU 63 2HD1 LEU 63 2.909 2.447 -1.119 523 HD13 LEU 63 3HD1 LEU 63 4.569 1.857 -1.104 524 HD21 LEU 63 1HD2 LEU 63 2.533 1.645 -4.200 525 HD22 LEU 63 2HD2 LEU 63 3.098 3.137 -4.934 526 HD23 LEU 63 3HD2 LEU 63 1.942 3.196 -3.604 527 H GLN 64 H GLN 64 6.963 5.098 -4.100 528 HA GLN 64 HA GLN 64 8.020 2.625 -4.973 529 HB2 GLN 64 1HB GLN 64 8.589 5.500 -5.751 530 HB3 GLN 64 2HB GLN 64 9.502 4.171 -6.464 531 HG2 GLN 64 1HG GLN 64 6.493 4.533 -6.623 532 HG3 GLN 64 2HG GLN 64 7.649 4.874 -7.912 533 HE21 GLN 64 1HE2 GLN 64 6.045 1.461 -8.281 534 HE22 GLN 64 2HE2 GLN 64 5.408 3.026 -7.939 535 H ARG 65 H ARG 65 9.316 5.162 -2.918 536 HA ARG 65 HA ARG 65 11.971 4.177 -2.671 537 HB2 ARG 65 1HB ARG 65 10.282 5.815 -0.728 538 HB3 ARG 65 2HB ARG 65 12.009 5.517 -0.525 539 HG2 ARG 65 1HG ARG 65 12.506 6.747 -2.583 540 HG3 ARG 65 2HG ARG 65 10.782 6.963 -2.901 541 HD2 ARG 65 1HD ARG 65 11.730 9.015 -1.983 542 HD3 ARG 65 2HD ARG 65 10.574 8.324 -0.842 543 HE ARG 65 HE ARG 65 13.156 7.413 -0.198 544 HH11 ARG 65 1HH1 ARG 65 11.329 10.441 -0.072 545 HH12 ARG 65 2HH1 ARG 65 12.255 11.064 1.257 546 HH21 ARG 65 1HH2 ARG 65 14.333 8.255 1.541 547 HH22 ARG 65 2HH2 ARG 65 13.953 9.829 2.165 548 H LEU 66 H LEU 66 8.949 3.452 -0.950 549 HA LEU 66 HA LEU 66 10.052 1.655 0.981 550 HB2 LEU 66 1HB LEU 66 7.184 1.778 -0.035 551 HB3 LEU 66 2HB LEU 66 7.724 0.941 1.411 552 HG LEU 66 HG LEU 66 7.660 3.952 0.984 553 HD11 LEU 66 1HD1 LEU 66 5.948 3.944 2.747 554 HD12 LEU 66 2HD1 LEU 66 6.028 2.184 2.829 555 HD13 LEU 66 3HD1 LEU 66 5.454 2.974 1.360 556 HD21 LEU 66 1HD2 LEU 66 8.353 4.141 3.365 557 HD22 LEU 66 2HD2 LEU 66 9.611 3.487 2.335 558 HD23 LEU 66 3HD2 LEU 66 8.688 2.409 3.388 559 H LEU 67 H LEU 67 8.629 1.193 -2.235 560 HA LEU 67 HA LEU 67 8.520 -1.647 -2.204 561 HB2 LEU 67 1HB LEU 67 8.597 0.254 -4.585 562 HB3 LEU 67 2HB LEU 67 8.228 -1.460 -4.684 563 HG LEU 67 HG LEU 67 6.540 0.634 -3.256 564 HD11 LEU 67 1HD1 LEU 67 5.996 -0.839 -5.852 565 HD12 LEU 67 2HD1 LEU 67 6.415 0.868 -5.681 566 HD13 LEU 67 3HD1 LEU 67 4.890 0.271 -5.034 567 HD21 LEU 67 1HD2 LEU 67 6.316 -1.492 -2.087 568 HD22 LEU 67 2HD2 LEU 67 6.007 -2.339 -3.603 569 HD23 LEU 67 3HD2 LEU 67 4.842 -1.160 -2.995 570 H ARG 68 H ARG 68 10.925 0.706 -3.198 571 HA ARG 68 HA ARG 68 12.811 -1.141 -4.313 572 HB2 ARG 68 1HB ARG 68 12.682 1.243 -4.953 573 HB3 ARG 68 2HB ARG 68 13.170 1.727 -3.336 574 HG2 ARG 68 1HG ARG 68 15.394 0.884 -3.662 575 HG3 ARG 68 2HG ARG 68 14.931 0.050 -5.149 576 HD2 ARG 68 1HD ARG 68 16.205 2.148 -5.575 577 HD3 ARG 68 2HD ARG 68 14.595 2.167 -6.299 578 HE ARG 68 HE ARG 68 14.536 3.360 -3.728 579 HH11 ARG 68 1HH1 ARG 68 15.579 4.065 -7.018 580 HH12 ARG 68 2HH1 ARG 68 15.418 5.782 -6.824 581 HH21 ARG 68 1HH2 ARG 68 14.356 5.607 -3.485 582 HH22 ARG 68 2HH2 ARG 68 14.725 6.655 -4.817 583 H HIS 69 H HIS 69 12.359 0.321 -1.117 584 HA HIS 69 HA HIS 69 14.788 -0.583 0.076 585 HB2 HIS 69 1HB HIS 69 12.192 0.496 1.186 586 HB3 HIS 69 2HB HIS 69 13.318 -0.265 2.293 587 HD1 HIS 69 HD1 HIS 69 12.468 2.974 1.335 588 HD2 HIS 69 HD2 HIS 69 16.096 0.981 1.699 589 HE1 HIS 69 HE1 HIS 69 14.200 4.772 1.664 590 HE2 HIS 69 HE2 HIS 69 16.368 3.529 1.959 591 H VAL 70 H VAL 70 11.461 -1.936 0.239 592 HA VAL 70 HA VAL 70 12.173 -4.134 1.905 593 HB VAL 70 HB VAL 70 9.946 -5.060 1.480 594 HG11 VAL 70 1HG1 VAL 70 8.539 -3.168 2.236 595 HG12 VAL 70 2HG1 VAL 70 9.831 -2.039 1.818 596 HG13 VAL 70 3HG1 VAL 70 10.077 -3.230 3.098 597 HG21 VAL 70 1HG2 VAL 70 8.354 -3.969 -0.114 598 HG22 VAL 70 2HG2 VAL 70 9.727 -4.721 -0.925 599 HG23 VAL 70 3HG2 VAL 70 9.681 -2.971 -0.714 600 H GLN 71 H GLN 71 12.369 -3.612 -1.511 601 HA GLN 71 HA GLN 71 12.646 -6.404 -2.261 602 HB2 GLN 71 1HB GLN 71 11.620 -4.635 -3.736 603 HB3 GLN 71 2HB GLN 71 13.208 -3.889 -3.881 604 HG2 GLN 71 1HG GLN 71 14.071 -5.793 -5.082 605 HG3 GLN 71 2HG GLN 71 12.629 -6.739 -4.737 606 HE21 GLN 71 1HE2 GLN 71 11.876 -3.729 -7.399 607 HE22 GLN 71 2HE2 GLN 71 12.522 -3.365 -5.846 608 H SER 72 H SER 72 14.640 -4.361 -0.630 609 HA SER 72 HA SER 72 16.685 -4.642 0.246 610 HB2 SER 72 1HB SER 72 16.349 -7.112 -0.009 611 HB3 SER 72 2HB SER 72 17.088 -7.029 -1.611 612 HG SER 72 HG SER 72 18.331 -6.283 0.839 613 H LYS 73 H LYS 73 17.684 -2.830 -0.306 614 HA LYS 73 HA LYS 73 19.577 -2.854 -2.559 615 HB2 LYS 73 1HB LYS 73 17.689 -0.571 -1.840 616 HB3 LYS 73 2HB LYS 73 19.110 -0.351 -2.851 617 HG2 LYS 73 1HG LYS 73 16.806 -2.205 -3.507 618 HG3 LYS 73 2HG LYS 73 16.982 -0.558 -4.122 619 HD2 LYS 73 1HD LYS 73 18.954 -1.132 -5.371 620 HD3 LYS 73 2HD LYS 73 19.097 -2.700 -4.567 621 HE2 LYS 73 1HE LYS 73 16.844 -1.881 -6.433 622 HE3 LYS 73 2HE LYS 73 18.208 -2.922 -6.858 623 HZ1 LYS 73 1HZ LYS 73 16.137 -3.498 -4.813 624 HZ2 LYS 73 2HZ LYS 73 17.480 -4.472 -5.120 625 HZ3 LYS 73 3HZ LYS 73 16.303 -4.257 -6.313 626 H SER 74 H SER 74 18.705 -0.435 -0.066 627 HA SER 74 HA SER 74 20.989 -0.889 1.591 628 HB2 SER 74 1HB SER 74 22.135 0.247 -0.302 629 HB3 SER 74 2HB SER 74 21.019 1.605 -0.175 630 HG SER 74 HG SER 74 21.989 2.261 1.634 631 H LEU 75 H LEU 75 20.997 0.502 3.452 632 HA LEU 75 HA LEU 75 18.532 2.096 3.880 633 HB2 LEU 75 1HB LEU 75 18.433 -0.099 5.066 634 HB3 LEU 75 2HB LEU 75 19.945 0.276 5.879 635 HG LEU 75 HG LEU 75 18.821 2.203 7.028 636 HD11 LEU 75 1HD1 LEU 75 16.352 2.371 7.022 637 HD12 LEU 75 2HD1 LEU 75 16.278 1.168 5.731 638 HD13 LEU 75 3HD1 LEU 75 17.053 2.726 5.444 639 HD21 LEU 75 1HD2 LEU 75 17.536 0.854 8.629 640 HD22 LEU 75 2HD2 LEU 75 19.022 0.034 8.162 641 HD23 LEU 75 3HD2 LEU 75 17.478 -0.487 7.481 642 H SER 76 H SER 76 18.860 4.082 4.702 643 HA SER 76 HA SER 76 21.538 5.128 5.080 644 HB2 SER 76 1HB SER 76 18.820 6.491 5.404 645 HB3 SER 76 2HB SER 76 20.387 7.303 5.288 646 HG SER 76 HG SER 76 20.195 5.704 3.196 647 H SER 77 H SER 77 22.479 5.597 7.038 648 HA SER 77 HA SER 77 21.508 4.361 9.420 649 HB2 SER 77 1HB SER 77 23.793 6.353 9.069 650 HB3 SER 77 2HB SER 77 23.543 5.299 10.461 651 HG SER 77 HG SER 77 23.526 3.786 8.273 652 H THR 78 H THR 78 19.650 5.182 10.228 653 HA THR 78 HA THR 78 18.689 7.795 10.211 654 HB THR 78 HB THR 78 17.223 7.031 12.171 655 HG1 THR 78 1HG THR 78 18.790 5.491 13.003 656 HG21 THR 78 1HG2 THR 78 15.963 5.367 10.873 657 HG22 THR 78 2HG2 THR 78 17.334 5.150 9.784 658 HG23 THR 78 3HG2 THR 78 16.481 6.696 9.834 659 HA PRO 79 HA PRO 79 21.607 9.706 13.232 660 HB2 PRO 79 2HB PRO 79 19.543 11.918 13.055 661 HB3 PRO 79 1HB PRO 79 21.314 12.008 12.905 662 HG2 PRO 79 2HG PRO 79 19.816 12.193 10.739 663 HG3 PRO 79 1HG PRO 79 21.309 11.224 10.704 664 HD2 PRO 79 2HD PRO 79 18.452 10.275 10.939 665 HD3 PRO 79 1HD PRO 79 19.786 9.623 9.956 666 H GLN 80 H GLN 80 21.589 10.127 15.445 667 HA GLN 80 HA GLN 80 19.670 8.803 17.048 668 HB2 GLN 80 1HB GLN 80 21.858 10.763 17.877 669 HB3 GLN 80 2HB GLN 80 20.933 9.766 18.995 670 HG2 GLN 80 1HG GLN 80 21.881 7.738 18.050 671 HG3 GLN 80 2HG GLN 80 22.722 8.657 16.809 672 HE21 GLN 80 1HE2 GLN 80 24.982 7.747 19.702 673 HE22 GLN 80 2HE2 GLN 80 23.843 6.830 18.779 674 H ALA 81 H ALA 81 17.707 9.510 17.614 675 HA ALA 81 HA ALA 81 17.182 12.352 18.205 676 HB1 ALA 81 1HB ALA 81 16.435 11.985 15.875 677 HB2 ALA 81 2HB ALA 81 15.050 12.251 16.936 678 HB3 ALA 81 3HB ALA 81 15.447 10.618 16.394 679 HA PRO 82 HA PRO 82 15.627 9.398 21.466 680 HB2 PRO 82 2HB PRO 82 16.751 11.295 23.447 681 HB3 PRO 82 1HB PRO 82 17.174 9.596 23.166 682 HG2 PRO 82 2HG PRO 82 18.871 11.617 22.572 683 HG3 PRO 82 1HG PRO 82 18.828 10.103 21.639 684 HD2 PRO 82 2HD PRO 82 17.567 12.765 20.966 685 HD3 PRO 82 1HD PRO 82 18.497 11.657 19.927 686 H VAL 83 H VAL 83 13.870 9.602 22.926 687 HA VAL 83 HA VAL 83 12.110 11.880 22.546 688 HB VAL 83 HB VAL 83 11.753 9.435 24.364 689 HG11 VAL 83 1HG1 VAL 83 9.358 10.086 24.455 690 HG12 VAL 83 2HG1 VAL 83 9.717 11.546 23.528 691 HG13 VAL 83 3HG1 VAL 83 10.401 11.334 25.141 692 HG21 VAL 83 1HG2 VAL 83 11.833 8.763 21.994 693 HG22 VAL 83 2HG2 VAL 83 10.607 9.959 21.585 694 HG23 VAL 83 3HG2 VAL 83 10.197 8.589 22.620 695 H SER 84 H SER 84 12.484 13.687 23.666 696 HA SER 84 HA SER 84 14.026 13.782 26.109 697 HB2 SER 84 1HB SER 84 12.649 16.018 24.548 698 HB3 SER 84 2HB SER 84 13.861 16.234 25.815 699 HG SER 84 HG SER 84 14.909 14.565 24.072 700 H LYS 85 H LYS 85 13.279 14.960 28.012 701 HA LYS 85 HA LYS 85 10.872 13.946 29.089 702 HB2 LYS 85 1HB LYS 85 12.671 16.173 30.146 703 HB3 LYS 85 2HB LYS 85 11.403 15.379 31.075 704 HG2 LYS 85 1HG LYS 85 13.871 14.020 29.951 705 HG3 LYS 85 2HG LYS 85 13.659 14.537 31.629 706 HD2 LYS 85 1HD LYS 85 11.767 12.953 31.881 707 HD3 LYS 85 2HD LYS 85 11.951 12.453 30.195 708 HE2 LYS 85 1HE LYS 85 12.988 10.826 31.709 709 HE3 LYS 85 2HE LYS 85 14.209 11.592 30.693 710 HZ1 LYS 85 1HZ LYS 85 13.600 12.316 33.509 711 HZ2 LYS 85 2HZ LYS 85 14.784 13.035 32.540 712 HZ3 LYS 85 3HZ LYS 85 14.929 11.414 32.988 713 H ARG 86 H ARG 86 8.882 14.639 28.814 714 HA ARG 86 HA ARG 86 8.162 17.460 28.866 715 HB2 ARG 86 1HB ARG 86 6.661 17.233 26.870 716 HB3 ARG 86 2HB ARG 86 8.367 17.113 26.456 717 HG2 ARG 86 1HG ARG 86 8.214 14.715 26.180 718 HG3 ARG 86 2HG ARG 86 6.563 14.694 26.809 719 HD2 ARG 86 1HD ARG 86 7.463 16.026 24.227 720 HD3 ARG 86 2HD ARG 86 6.601 14.488 24.352 721 HE ARG 86 HE ARG 86 5.421 17.024 25.331 722 HH11 ARG 86 1HH1 ARG 86 5.137 14.168 23.313 723 HH12 ARG 86 2HH1 ARG 86 3.485 14.490 22.896 724 HH21 ARG 86 1HH2 ARG 86 3.239 17.369 24.845 725 HH22 ARG 86 2HH2 ARG 86 2.414 16.293 23.760 726 H ARG 87 H ARG 87 6.221 17.752 29.929 727 HA ARG 87 HA ARG 87 4.905 15.434 31.097 728 HB2 ARG 87 1HB ARG 87 5.310 17.762 32.247 729 HB3 ARG 87 2HB ARG 87 3.917 18.319 31.336 730 HG2 ARG 87 1HG ARG 87 3.839 15.971 33.270 731 HG3 ARG 87 2HG ARG 87 3.477 17.631 33.732 732 HD2 ARG 87 1HD ARG 87 1.953 16.092 31.603 733 HD3 ARG 87 2HD ARG 87 1.459 16.214 33.292 734 HE ARG 87 HE ARG 87 1.397 18.690 32.912 735 HH11 ARG 87 1HH1 ARG 87 0.797 16.517 30.199 736 HH12 ARG 87 2HH1 ARG 87 -0.160 17.678 29.344 737 HH21 ARG 87 1HH2 ARG 87 0.121 20.163 31.800 738 HH22 ARG 87 2HH2 ARG 87 -0.545 19.746 30.253 739 H ALA 88 H ALA 88 4.148 14.385 29.269 740 HA ALA 88 HA ALA 88 2.232 15.701 27.477 741 HB1 ALA 88 1HB ALA 88 2.385 13.600 26.178 742 HB2 ALA 88 2HB ALA 88 3.428 12.904 27.421 743 HB3 ALA 88 3HB ALA 88 3.983 14.291 26.484 744 H ALA 89 H ALA 89 2.405 12.653 29.330 745 HA ALA 89 HA ALA 89 0.946 11.330 30.400 746 HB1 ALA 89 1HB ALA 89 -0.909 12.355 31.667 747 HB2 ALA 89 2HB ALA 89 -0.715 13.855 30.757 748 HB3 ALA 89 3HB ALA 89 0.569 13.304 31.833 Start of MODEL 13 1 H1 MET 1 1H MET 1 4.608 -3.674 6.567 2 H2 MET 1 2H MET 1 5.428 -2.784 7.743 3 H3 MET 1 3H MET 1 5.681 -4.447 7.617 4 HA MET 1 HA MET 1 6.358 -2.480 5.524 5 HB2 MET 1 1HB MET 1 8.120 -3.838 7.606 6 HB3 MET 1 2HB MET 1 8.755 -2.955 6.229 7 HG2 MET 1 1HG MET 1 6.903 -1.524 8.118 8 HG3 MET 1 2HG MET 1 8.568 -1.818 8.611 9 HE1 MET 1 1HE MET 1 7.326 0.967 5.107 10 HE2 MET 1 2HE MET 1 6.186 0.223 6.225 11 HE3 MET 1 3HE MET 1 6.990 -0.761 4.998 12 H ILE 2 H ILE 2 5.014 -5.284 5.633 13 HA ILE 2 HA ILE 2 6.889 -6.979 4.173 14 HB ILE 2 HB ILE 2 3.930 -7.517 4.736 15 HG12 ILE 2 1HG1 ILE 2 6.285 -8.318 6.502 16 HG13 ILE 2 2HG1 ILE 2 5.177 -7.005 6.866 17 HG21 ILE 2 1HG2 ILE 2 4.928 -8.998 3.038 18 HG22 ILE 2 2HG2 ILE 2 4.553 -9.902 4.509 19 HG23 ILE 2 3HG2 ILE 2 6.218 -9.433 4.164 20 HD11 ILE 2 1HD1 ILE 2 4.660 -8.987 8.152 21 HD12 ILE 2 2HD1 ILE 2 4.440 -9.928 6.676 22 HD13 ILE 2 3HD1 ILE 2 3.341 -8.598 7.052 23 H LEU 3 H LEU 3 6.779 -7.362 1.917 24 HA LEU 3 HA LEU 3 4.677 -5.939 0.384 25 HB2 LEU 3 1HB LEU 3 6.912 -5.083 -0.151 26 HB3 LEU 3 2HB LEU 3 7.496 -6.703 -0.483 27 HG LEU 3 HG LEU 3 6.001 -6.840 -2.480 28 HD11 LEU 3 1HD1 LEU 3 4.888 -4.786 -3.347 29 HD12 LEU 3 2HD1 LEU 3 5.205 -3.998 -1.799 30 HD13 LEU 3 3HD1 LEU 3 4.161 -5.415 -1.874 31 HD21 LEU 3 1HD2 LEU 3 8.305 -6.059 -2.772 32 HD22 LEU 3 2HD2 LEU 3 7.789 -4.390 -2.517 33 HD23 LEU 3 3HD2 LEU 3 7.219 -5.287 -3.929 34 H GLU 4 H GLU 4 3.249 -7.170 -0.572 35 HA GLU 4 HA GLU 4 3.719 -10.030 -1.176 36 HB2 GLU 4 1HB GLU 4 1.154 -8.630 -0.296 37 HB3 GLU 4 2HB GLU 4 1.263 -10.322 -0.764 38 HG2 GLU 4 1HG GLU 4 2.629 -10.828 1.171 39 HG3 GLU 4 2HG GLU 4 2.736 -9.120 1.594 40 H ALA 5 H ALA 5 2.716 -10.822 -3.089 41 HA ALA 5 HA ALA 5 1.539 -8.883 -4.991 42 HB1 ALA 5 1HB ALA 5 3.368 -10.280 -5.891 43 HB2 ALA 5 2HB ALA 5 1.844 -10.665 -6.688 44 HB3 ALA 5 3HB ALA 5 2.490 -11.744 -5.449 45 H HIS 6 H HIS 6 -0.585 -9.240 -5.791 46 HA HIS 6 HA HIS 6 -2.371 -10.552 -3.917 47 HB2 HIS 6 1HB HIS 6 -2.967 -8.341 -4.719 48 HB3 HIS 6 2HB HIS 6 -2.904 -8.878 -6.391 49 HD1 HIS 6 HD1 HIS 6 -4.963 -9.451 -3.242 50 HD2 HIS 6 HD2 HIS 6 -5.335 -9.689 -7.378 51 HE1 HIS 6 HE1 HIS 6 -7.409 -9.826 -3.688 52 HE2 HIS 6 HE2 HIS 6 -7.551 -10.209 -6.165 53 H TYR 7 H TYR 7 -2.420 -12.723 -4.138 54 HA TYR 7 HA TYR 7 -3.134 -13.971 -6.688 55 HB2 TYR 7 2HB TYR 7 -1.672 -15.129 -4.943 56 HB3 TYR 7 1HB TYR 7 -3.087 -15.231 -3.904 57 HD1 TYR 7 1HD TYR 7 -4.321 -17.266 -3.979 58 HD2 TYR 7 2HD TYR 7 -2.048 -16.127 -7.419 59 HE1 TYR 7 1HE TYR 7 -4.944 -19.367 -5.096 60 HE2 TYR 7 2HE TYR 7 -2.669 -18.221 -8.530 61 HH TYR 7 HH TYR 7 -5.124 -20.283 -7.332 62 H THR 8 H THR 8 -5.168 -15.399 -6.608 63 HA THR 8 HA THR 8 -7.342 -15.444 -6.961 64 HB THR 8 HB THR 8 -8.960 -15.035 -5.129 65 HG1 THR 8 1HG THR 8 -7.368 -13.295 -4.182 66 HG21 THR 8 1HG2 THR 8 -6.495 -16.539 -4.189 67 HG22 THR 8 2HG2 THR 8 -7.752 -17.196 -5.242 68 HG23 THR 8 3HG2 THR 8 -8.136 -16.747 -3.578 69 H ASN 9 H ASN 9 -7.258 -14.080 -8.654 70 HA ASN 9 HA ASN 9 -7.637 -11.215 -8.439 71 HB2 ASN 9 1HB ASN 9 -7.503 -11.280 -10.943 72 HB3 ASN 9 2HB ASN 9 -6.137 -12.062 -10.166 73 HD21 ASN 9 1HD2 ASN 9 -7.533 -14.085 -13.065 74 HD22 ASN 9 2HD2 ASN 9 -7.193 -12.400 -12.889 75 H LEU 10 H LEU 10 -9.818 -12.955 -7.440 76 HA LEU 10 HA LEU 10 -12.050 -13.006 -9.162 77 HB2 LEU 10 1HB LEU 10 -11.570 -14.197 -6.848 78 HB3 LEU 10 2HB LEU 10 -12.282 -12.766 -6.141 79 HG LEU 10 HG LEU 10 -13.695 -14.732 -8.001 80 HD11 LEU 10 1HD1 LEU 10 -13.265 -15.695 -5.805 81 HD12 LEU 10 2HD1 LEU 10 -14.987 -15.386 -6.006 82 HD13 LEU 10 3HD1 LEU 10 -14.007 -14.303 -5.011 83 HD21 LEU 10 1HD2 LEU 10 -14.868 -12.312 -6.585 84 HD22 LEU 10 2HD2 LEU 10 -15.793 -13.542 -7.452 85 HD23 LEU 10 3HD2 LEU 10 -14.663 -12.511 -8.327 86 H LYS 11 H LYS 11 -11.232 -10.744 -6.494 87 HA LYS 11 HA LYS 11 -12.143 -8.442 -8.002 88 HB2 LYS 11 1HB LYS 11 -13.862 -7.690 -6.458 89 HB3 LYS 11 2HB LYS 11 -14.263 -9.340 -6.914 90 HG2 LYS 11 1HG LYS 11 -13.218 -10.106 -4.727 91 HG3 LYS 11 2HG LYS 11 -13.060 -8.408 -4.286 92 HD2 LYS 11 1HD LYS 11 -15.046 -9.182 -3.215 93 HD3 LYS 11 2HD LYS 11 -15.587 -8.209 -4.581 94 HE2 LYS 11 1HE LYS 11 -16.955 -10.201 -4.447 95 HE3 LYS 11 2HE LYS 11 -15.932 -10.334 -5.878 96 HZ1 LYS 11 1HZ LYS 11 -15.465 -11.660 -3.260 97 HZ2 LYS 11 2HZ LYS 11 -14.443 -11.776 -4.602 98 HZ3 LYS 11 3HZ LYS 11 -16.011 -12.410 -4.673 99 H CYS 12 H CYS 12 -11.206 -6.536 -7.238 100 HA CYS 12 HA CYS 12 -9.547 -6.645 -4.773 101 HB2 CYS 12 2HB CYS 12 -9.413 -4.645 -7.069 102 HB3 CYS 12 1HB CYS 12 -8.264 -4.811 -5.731 103 H ARG 13 H ARG 13 -10.287 -5.487 -3.034 104 HA ARG 13 HA ARG 13 -12.632 -3.716 -3.436 105 HB2 ARG 13 1HB ARG 13 -11.831 -5.357 -0.990 106 HB3 ARG 13 2HB ARG 13 -13.211 -4.269 -1.050 107 HG2 ARG 13 1HG ARG 13 -12.874 -6.741 -2.780 108 HG3 ARG 13 2HG ARG 13 -13.825 -6.671 -1.298 109 HD2 ARG 13 1HD ARG 13 -15.369 -6.488 -3.118 110 HD3 ARG 13 2HD ARG 13 -15.244 -4.874 -2.415 111 HE ARG 13 HE ARG 13 -13.491 -5.395 -4.673 112 HH11 ARG 13 1HH1 ARG 13 -16.652 -4.143 -3.727 113 HH12 ARG 13 2HH1 ARG 13 -16.845 -3.220 -5.187 114 HH21 ARG 13 1HH2 ARG 13 -13.739 -4.156 -6.546 115 HH22 ARG 13 2HH2 ARG 13 -15.188 -3.232 -6.789 116 H CYS 14 H CYS 14 -11.225 -1.945 -3.925 117 HA CYS 14 HA CYS 14 -10.717 -0.408 -1.472 118 HB2 CYS 14 2HB CYS 14 -8.919 -0.464 -3.927 119 HB3 CYS 14 1HB CYS 14 -8.825 0.779 -2.679 120 H SER 15 H SER 15 -12.609 0.734 -1.562 121 HA SER 15 HA SER 15 -13.818 1.699 -3.986 122 HB2 SER 15 1HB SER 15 -15.433 2.798 -2.380 123 HB3 SER 15 2HB SER 15 -15.228 1.065 -2.101 124 HG SER 15 HG SER 15 -14.435 3.241 -0.555 125 H GLY 16 H GLY 16 -12.008 3.173 -1.297 126 HA2 GLY 16 1HA GLY 16 -11.565 5.631 -2.918 127 HA3 GLY 16 2HA GLY 16 -11.672 5.613 -1.161 128 H VAL 17 H VAL 17 -9.455 6.054 -3.432 129 HA VAL 17 HA VAL 17 -7.334 4.696 -1.865 130 HB VAL 17 HB VAL 17 -5.824 4.870 -3.798 131 HG11 VAL 17 1HG1 VAL 17 -7.138 2.811 -3.573 132 HG12 VAL 17 2HG1 VAL 17 -6.864 3.177 -5.274 133 HG13 VAL 17 3HG1 VAL 17 -8.439 3.501 -4.544 134 HG21 VAL 17 1HG2 VAL 17 -6.681 6.877 -4.903 135 HG22 VAL 17 2HG2 VAL 17 -8.169 6.038 -5.342 136 HG23 VAL 17 3HG2 VAL 17 -6.631 5.535 -6.051 137 H ILE 18 H ILE 18 -5.913 5.927 -0.800 138 HA ILE 18 HA ILE 18 -5.606 8.795 -1.391 139 HB ILE 18 HB ILE 18 -5.332 9.185 1.118 140 HG12 ILE 18 1HG1 ILE 18 -6.673 6.448 1.399 141 HG13 ILE 18 2HG1 ILE 18 -4.998 6.798 1.793 142 HG21 ILE 18 1HG2 ILE 18 -7.732 9.378 1.610 143 HG22 ILE 18 2HG2 ILE 18 -8.107 8.309 0.259 144 HG23 ILE 18 3HG2 ILE 18 -7.383 9.890 -0.042 145 HD11 ILE 18 1HD1 ILE 18 -7.429 7.889 3.212 146 HD12 ILE 18 2HD1 ILE 18 -5.757 8.319 3.577 147 HD13 ILE 18 3HD1 ILE 18 -6.308 6.660 3.799 148 H SER 19 H SER 19 -3.538 9.031 -2.026 149 HA SER 19 HA SER 19 -1.417 7.241 -1.065 150 HB2 SER 19 1HB SER 19 -1.424 9.400 -3.214 151 HB3 SER 19 2HB SER 19 -0.045 8.365 -2.830 152 HG SER 19 HG SER 19 -0.908 6.962 -4.102 153 H THR 20 H THR 20 -2.615 9.019 0.795 154 HA THR 20 HA THR 20 -0.861 11.131 1.578 155 HB THR 20 HB THR 20 -2.042 10.858 3.815 156 HG1 THR 20 1HG THR 20 -2.391 8.433 3.218 157 HG21 THR 20 1HG2 THR 20 -4.304 11.458 3.048 158 HG22 THR 20 2HG2 THR 20 -3.928 10.865 1.430 159 HG23 THR 20 3HG2 THR 20 -3.082 12.275 2.072 160 H VAL 21 H VAL 21 1.039 10.952 2.748 161 HA VAL 21 HA VAL 21 2.447 8.540 2.867 162 HB VAL 21 HB VAL 21 3.638 10.682 2.832 163 HG11 VAL 21 1HG1 VAL 21 2.693 11.164 5.680 164 HG12 VAL 21 2HG1 VAL 21 2.200 12.077 4.256 165 HG13 VAL 21 3HG1 VAL 21 3.872 12.147 4.806 166 HG21 VAL 21 1HG2 VAL 21 4.331 9.064 5.315 167 HG22 VAL 21 2HG2 VAL 21 5.423 10.174 4.481 168 HG23 VAL 21 3HG2 VAL 21 4.853 8.716 3.664 169 H VAL 22 H VAL 22 1.932 6.837 4.047 170 HA VAL 22 HA VAL 22 0.717 7.046 6.712 171 HB VAL 22 HB VAL 22 1.326 4.514 5.110 172 HG11 VAL 22 1HG1 VAL 22 -0.335 3.441 6.598 173 HG12 VAL 22 2HG1 VAL 22 -0.529 4.956 7.479 174 HG13 VAL 22 3HG1 VAL 22 1.016 4.103 7.523 175 HG21 VAL 22 1HG2 VAL 22 -1.049 4.511 4.427 176 HG22 VAL 22 2HG2 VAL 22 -0.206 5.936 3.814 177 HG23 VAL 22 3HG2 VAL 22 -1.277 6.079 5.211 178 H GLY 23 H GLY 23 1.794 6.447 8.581 179 HA2 GLY 23 1HA GLY 23 4.594 6.721 8.695 180 HA3 GLY 23 2HA GLY 23 3.552 6.198 10.010 181 H LEU 24 H LEU 24 6.186 5.257 8.442 182 HA LEU 24 HA LEU 24 5.744 2.616 7.536 183 HB2 LEU 24 1HB LEU 24 8.230 4.127 8.369 184 HB3 LEU 24 2HB LEU 24 8.327 2.413 7.991 185 HG LEU 24 HG LEU 24 7.457 2.880 5.693 186 HD11 LEU 24 1HD1 LEU 24 7.396 5.157 4.798 187 HD12 LEU 24 2HD1 LEU 24 7.671 5.809 6.414 188 HD13 LEU 24 3HD1 LEU 24 6.189 4.919 6.061 189 HD21 LEU 24 1HD2 LEU 24 9.859 2.692 6.101 190 HD22 LEU 24 2HD2 LEU 24 9.959 4.425 6.424 191 HD23 LEU 24 3HD2 LEU 24 9.530 3.850 4.812 192 H ASN 25 H ASN 25 6.137 3.913 10.705 193 HA ASN 25 HA ASN 25 6.847 1.639 12.225 194 HB2 ASN 25 1HB ASN 25 6.861 4.046 13.004 195 HB3 ASN 25 2HB ASN 25 5.107 4.020 13.042 196 HD21 ASN 25 1HD2 ASN 25 6.435 3.532 16.465 197 HD22 ASN 25 2HD2 ASN 25 6.641 4.716 15.229 198 H ILE 26 H ILE 26 3.740 2.867 11.016 199 HA ILE 26 HA ILE 26 2.274 0.740 12.435 200 HB ILE 26 HB ILE 26 0.232 2.018 12.133 201 HG12 ILE 26 1HG1 ILE 26 1.871 4.078 10.569 202 HG13 ILE 26 2HG1 ILE 26 0.704 2.968 9.866 203 HG21 ILE 26 1HG2 ILE 26 2.477 3.833 13.115 204 HG22 ILE 26 2HG2 ILE 26 1.637 2.611 14.070 205 HG23 ILE 26 3HG2 ILE 26 0.760 4.026 13.488 206 HD11 ILE 26 1HD1 ILE 26 0.095 5.205 11.794 207 HD12 ILE 26 2HD1 ILE 26 -1.085 4.061 11.147 208 HD13 ILE 26 3HD1 ILE 26 -0.241 5.166 10.063 209 H ILE 27 H ILE 27 3.406 1.506 9.267 210 HA ILE 27 HA ILE 27 1.458 0.078 7.744 211 HB ILE 27 HB ILE 27 4.403 0.572 7.132 212 HG12 ILE 27 1HG1 ILE 27 1.893 1.945 6.066 213 HG13 ILE 27 2HG1 ILE 27 2.983 2.618 7.268 214 HG21 ILE 27 1HG2 ILE 27 2.257 -0.531 5.273 215 HG22 ILE 27 2HG2 ILE 27 3.653 -1.416 5.886 216 HG23 ILE 27 3HG2 ILE 27 3.887 -0.062 4.782 217 HD11 ILE 27 1HD1 ILE 27 4.794 2.535 5.540 218 HD12 ILE 27 2HD1 ILE 27 3.475 3.652 5.222 219 HD13 ILE 27 3HD1 ILE 27 3.547 2.114 4.359 220 H ASP 28 H ASP 28 0.951 -1.951 8.067 221 HA ASP 28 HA ASP 28 2.744 -3.907 9.271 222 HB2 ASP 28 1HB ASP 28 0.518 -3.809 10.172 223 HB3 ASP 28 2HB ASP 28 -0.220 -3.837 8.576 224 H ARG 29 H ARG 29 0.704 -3.667 6.332 225 HA ARG 29 HA ARG 29 2.531 -5.425 4.831 226 HB2 ARG 29 1HB ARG 29 -0.404 -6.000 5.404 227 HB3 ARG 29 2HB ARG 29 0.380 -6.662 3.971 228 HG2 ARG 29 1HG ARG 29 1.927 -7.939 5.300 229 HG3 ARG 29 2HG ARG 29 1.414 -7.136 6.783 230 HD2 ARG 29 1HD ARG 29 -0.747 -8.238 6.709 231 HD3 ARG 29 2HD ARG 29 -0.411 -8.896 5.106 232 HE ARG 29 HE ARG 29 0.776 -10.586 6.061 233 HH11 ARG 29 1HH1 ARG 29 0.387 -8.121 8.556 234 HH12 ARG 29 2HH1 ARG 29 1.059 -9.125 9.800 235 HH21 ARG 29 1HH2 ARG 29 1.702 -11.838 7.699 236 HH22 ARG 29 2HH2 ARG 29 1.799 -11.216 9.318 237 H ILE 30 H ILE 30 2.381 -5.247 2.613 238 HA ILE 30 HA ILE 30 0.727 -3.132 1.377 239 HB ILE 30 HB ILE 30 3.773 -3.437 1.102 240 HG12 ILE 30 1HG1 ILE 30 2.111 -1.086 2.098 241 HG13 ILE 30 2HG1 ILE 30 3.129 -2.126 3.082 242 HG21 ILE 30 1HG2 ILE 30 1.998 -1.564 -0.500 243 HG22 ILE 30 2HG2 ILE 30 2.771 -3.019 -1.126 244 HG23 ILE 30 3HG2 ILE 30 3.758 -1.659 -0.590 245 HD11 ILE 30 1HD1 ILE 30 4.082 -0.205 0.957 246 HD12 ILE 30 2HD1 ILE 30 5.112 -1.269 1.922 247 HD13 ILE 30 3HD1 ILE 30 4.178 0.002 2.705 248 H GLN 31 H GLN 31 -0.445 -4.391 -0.043 249 HA GLN 31 HA GLN 31 0.920 -6.573 -1.526 250 HB2 GLN 31 1HB GLN 31 -0.679 -7.463 0.111 251 HB3 GLN 31 2HB GLN 31 -1.959 -6.439 -0.524 252 HG2 GLN 31 1HG GLN 31 -2.007 -7.692 -2.604 253 HG3 GLN 31 2HG GLN 31 -0.590 -8.624 -2.128 254 HE21 GLN 31 1HE2 GLN 31 -2.736 -10.252 0.513 255 HE22 GLN 31 2HE2 GLN 31 -1.418 -9.141 0.612 256 H VAL 32 H VAL 32 1.011 -6.245 -3.661 257 HA VAL 32 HA VAL 32 -0.367 -3.964 -4.858 258 HB VAL 32 HB VAL 32 1.632 -5.915 -6.103 259 HG11 VAL 32 1HG1 VAL 32 1.921 -4.213 -7.874 260 HG12 VAL 32 2HG1 VAL 32 0.666 -3.221 -7.136 261 HG13 VAL 32 3HG1 VAL 32 0.257 -4.796 -7.815 262 HG21 VAL 32 1HG2 VAL 32 3.332 -4.149 -5.755 263 HG22 VAL 32 2HG2 VAL 32 2.646 -4.688 -4.221 264 HG23 VAL 32 3HG2 VAL 32 2.135 -3.154 -4.924 265 H THR 33 H THR 33 -2.362 -4.242 -5.628 266 HA THR 33 HA THR 33 -3.313 -6.839 -6.589 267 HB THR 33 HB THR 33 -5.584 -5.766 -6.420 268 HG1 THR 33 1HG THR 33 -4.979 -3.594 -6.666 269 HG21 THR 33 1HG2 THR 33 -5.699 -5.663 -3.956 270 HG22 THR 33 2HG2 THR 33 -3.937 -5.591 -3.869 271 HG23 THR 33 3HG2 THR 33 -4.731 -7.039 -4.488 272 HA PRO 34 HA PRO 34 -2.429 -5.178 -10.728 273 HB2 PRO 34 2HB PRO 34 -2.872 -7.417 -12.205 274 HB3 PRO 34 1HB PRO 34 -1.508 -7.306 -11.074 275 HG2 PRO 34 2HG PRO 34 -4.174 -8.633 -10.667 276 HG3 PRO 34 1HG PRO 34 -2.547 -9.248 -10.294 277 HD2 PRO 34 2HD PRO 34 -4.167 -8.109 -8.398 278 HD3 PRO 34 1HD PRO 34 -2.391 -8.048 -8.320 279 HA PRO 35 HA PRO 35 -6.348 -3.722 -12.301 280 HB2 PRO 35 2HB PRO 35 -5.624 -2.763 -14.752 281 HB3 PRO 35 1HB PRO 35 -5.001 -2.039 -13.255 282 HG2 PRO 35 2HG PRO 35 -3.677 -4.067 -15.046 283 HG3 PRO 35 1HG PRO 35 -3.010 -2.549 -14.394 284 HD2 PRO 35 2HD PRO 35 -2.494 -4.936 -13.219 285 HD3 PRO 35 1HD PRO 35 -2.677 -3.447 -12.264 286 H GLY 36 H GLY 36 -7.663 -3.714 -14.525 287 HA2 GLY 36 1HA GLY 36 -8.438 -4.747 -16.463 288 HA3 GLY 36 2HA GLY 36 -7.372 -6.113 -16.176 289 H ASN 37 H ASN 37 -8.349 -7.957 -15.523 290 HA ASN 37 HA ASN 37 -11.194 -7.995 -15.037 291 HB2 ASN 37 1HB ASN 37 -10.974 -10.453 -14.972 292 HB3 ASN 37 2HB ASN 37 -10.142 -9.780 -16.369 293 HD21 ASN 37 1HD2 ASN 37 -6.969 -10.905 -15.389 294 HD22 ASN 37 2HD2 ASN 37 -7.868 -9.867 -16.435 295 H GLY 38 H GLY 38 -8.321 -8.184 -13.038 296 HA2 GLY 38 1HA GLY 38 -9.601 -9.279 -10.688 297 HA3 GLY 38 2HA GLY 38 -7.965 -8.650 -10.804 298 H CYS 39 H CYS 39 -7.793 -6.252 -11.045 299 HA CYS 39 HA CYS 39 -9.728 -4.826 -9.322 300 HB2 CYS 39 2HB CYS 39 -6.994 -3.793 -10.132 301 HB3 CYS 39 1HB CYS 39 -7.938 -3.399 -8.699 302 HA PRO 40 HA PRO 40 -11.053 -2.394 -12.937 303 HB2 PRO 40 2HB PRO 40 -11.578 0.073 -11.813 304 HB3 PRO 40 1HB PRO 40 -12.633 -1.335 -11.579 305 HG2 PRO 40 2HG PRO 40 -10.488 -0.280 -9.747 306 HG3 PRO 40 1HG PRO 40 -12.151 -0.777 -9.352 307 HD2 PRO 40 2HD PRO 40 -10.071 -2.431 -8.911 308 HD3 PRO 40 1HD PRO 40 -11.638 -3.067 -9.467 309 H LYS 41 H LYS 41 -8.515 -1.279 -10.879 310 HA LYS 41 HA LYS 41 -6.945 -0.049 -13.025 311 HB2 LYS 41 1HB LYS 41 -6.560 1.992 -11.555 312 HB3 LYS 41 2HB LYS 41 -8.213 1.860 -12.154 313 HG2 LYS 41 1HG LYS 41 -8.886 0.839 -9.977 314 HG3 LYS 41 2HG LYS 41 -7.250 1.114 -9.377 315 HD2 LYS 41 1HD LYS 41 -7.559 3.554 -9.619 316 HD3 LYS 41 2HD LYS 41 -9.176 3.291 -10.285 317 HE2 LYS 41 1HE LYS 41 -9.826 2.186 -8.132 318 HE3 LYS 41 2HE LYS 41 -8.243 2.609 -7.476 319 HZ1 LYS 41 1HZ LYS 41 -9.973 4.167 -6.844 320 HZ2 LYS 41 2HZ LYS 41 -10.261 4.542 -8.464 321 HZ3 LYS 41 3HZ LYS 41 -8.775 4.924 -7.757 322 H THR 42 H THR 42 -4.642 0.423 -12.042 323 HA THR 42 HA THR 42 -3.818 -1.856 -10.492 324 HB THR 42 HB THR 42 -2.101 0.595 -11.077 325 HG1 THR 42 1HG THR 42 -1.681 -1.367 -12.852 326 HG21 THR 42 1HG2 THR 42 -1.391 -2.346 -10.679 327 HG22 THR 42 2HG2 THR 42 -1.103 -1.053 -9.512 328 HG23 THR 42 3HG2 THR 42 -0.244 -1.061 -11.055 329 H GLU 43 H GLU 43 -4.059 -1.973 -8.340 330 HA GLU 43 HA GLU 43 -4.070 0.497 -6.677 331 HB2 GLU 43 1HB GLU 43 -5.808 -1.992 -6.293 332 HB3 GLU 43 2HB GLU 43 -5.802 -0.574 -5.247 333 HG2 GLU 43 1HG GLU 43 -6.688 0.806 -7.066 334 HG3 GLU 43 2HG GLU 43 -6.617 -0.560 -8.172 335 H VAL 44 H VAL 44 -3.343 0.175 -4.489 336 HA VAL 44 HA VAL 44 -1.790 -2.283 -3.944 337 HB VAL 44 HB VAL 44 -0.850 0.573 -3.355 338 HG11 VAL 44 1HG1 VAL 44 1.226 -0.477 -2.512 339 HG12 VAL 44 2HG1 VAL 44 0.521 -2.074 -2.767 340 HG13 VAL 44 3HG1 VAL 44 -0.182 -0.978 -1.575 341 HG21 VAL 44 1HG2 VAL 44 -0.584 0.028 -5.745 342 HG22 VAL 44 2HG2 VAL 44 0.293 -1.442 -5.325 343 HG23 VAL 44 3HG2 VAL 44 0.989 0.133 -4.955 344 H VAL 45 H VAL 45 -2.782 -3.190 -2.258 345 HA VAL 45 HA VAL 45 -4.430 -1.620 -0.413 346 HB VAL 45 HB VAL 45 -4.100 -4.655 -0.672 347 HG11 VAL 45 1HG1 VAL 45 -6.140 -4.836 0.690 348 HG12 VAL 45 2HG1 VAL 45 -6.195 -3.082 0.853 349 HG13 VAL 45 3HG1 VAL 45 -4.867 -3.991 1.579 350 HG21 VAL 45 1HG2 VAL 45 -6.303 -4.633 -1.802 351 HG22 VAL 45 2HG2 VAL 45 -5.103 -3.716 -2.712 352 HG23 VAL 45 3HG2 VAL 45 -6.312 -2.871 -1.749 353 H ILE 46 H ILE 46 -3.280 -0.748 1.205 354 HA ILE 46 HA ILE 46 -1.112 -2.226 2.554 355 HB ILE 46 HB ILE 46 -1.944 0.705 2.853 356 HG12 ILE 46 1HG1 ILE 46 0.419 -0.507 1.350 357 HG13 ILE 46 2HG1 ILE 46 -0.975 0.283 0.626 358 HG21 ILE 46 1HG2 ILE 46 -0.925 -0.159 4.926 359 HG22 ILE 46 2HG2 ILE 46 0.141 1.010 4.148 360 HG23 ILE 46 3HG2 ILE 46 0.484 -0.715 4.017 361 HD11 ILE 46 1HD1 ILE 46 0.872 1.768 0.568 362 HD12 ILE 46 2HD1 ILE 46 1.182 1.573 2.290 363 HD13 ILE 46 3HD1 ILE 46 -0.282 2.397 1.738 364 H TRP 47 H TRP 47 -1.702 -3.341 4.350 365 HA TRP 47 HA TRP 47 -3.941 -2.452 6.044 366 HB2 TRP 47 2HB TRP 47 -2.091 -4.884 6.211 367 HB3 TRP 47 1HB TRP 47 -3.341 -4.521 7.402 368 HD1 TRP 47 1HD TRP 47 -5.891 -4.904 6.671 369 HE1 TRP 47 1HE TRP 47 -6.962 -6.256 4.768 370 HE3 TRP 47 3HE TRP 47 -1.756 -5.637 3.751 371 HZ2 TRP 47 2HZ TRP 47 -6.168 -7.502 2.368 372 HZ3 TRP 47 3HZ TRP 47 -1.993 -6.926 1.675 373 HH2 TRP 47 2HH TRP 47 -4.155 -7.842 0.988 374 H THR 48 H THR 48 -3.576 -1.205 7.826 375 HA THR 48 HA THR 48 -0.827 -0.790 8.818 376 HB THR 48 HB THR 48 -1.896 0.905 10.341 377 HG1 THR 48 1HG THR 48 -4.281 0.749 8.863 378 HG21 THR 48 1HG2 THR 48 -2.436 2.571 8.616 379 HG22 THR 48 2HG2 THR 48 -2.604 1.296 7.409 380 HG23 THR 48 3HG2 THR 48 -1.028 1.625 8.132 381 H LYS 49 H LYS 49 -0.587 -0.853 11.259 382 HA LYS 49 HA LYS 49 -1.277 -3.376 12.358 383 HB2 LYS 49 1HB LYS 49 -0.094 -2.654 14.352 384 HB3 LYS 49 2HB LYS 49 0.808 -2.102 12.946 385 HG2 LYS 49 1HG LYS 49 -0.028 0.177 13.253 386 HG3 LYS 49 2HG LYS 49 -1.064 -0.346 14.577 387 HD2 LYS 49 1HD LYS 49 1.983 -0.405 14.583 388 HD3 LYS 49 2HD LYS 49 0.971 0.774 15.420 389 HE2 LYS 49 1HE LYS 49 0.017 -1.057 16.812 390 HE3 LYS 49 2HE LYS 49 1.067 -2.214 15.990 391 HZ1 LYS 49 1HZ LYS 49 2.044 0.114 17.558 392 HZ2 LYS 49 2HZ LYS 49 2.986 -1.114 16.876 393 HZ3 LYS 49 3HZ LYS 49 1.930 -1.462 18.152 394 H MET 50 H MET 50 -2.907 -0.397 12.241 395 HA MET 50 HA MET 50 -4.630 -0.689 14.545 396 HB2 MET 50 1HB MET 50 -4.907 1.142 12.117 397 HB3 MET 50 2HB MET 50 -5.753 1.315 13.649 398 HG2 MET 50 1HG MET 50 -3.609 1.805 14.770 399 HG3 MET 50 2HG MET 50 -2.766 1.634 13.234 400 HE1 MET 50 1HE MET 50 -5.096 3.122 11.285 401 HE2 MET 50 2HE MET 50 -3.344 3.216 11.088 402 HE3 MET 50 3HE MET 50 -4.302 4.692 11.206 403 H LYS 51 H LYS 51 -4.433 -2.265 11.627 404 HA LYS 51 HA LYS 51 -5.681 -3.598 10.347 405 HB2 LYS 51 1HB LYS 51 -7.672 -3.358 12.623 406 HB3 LYS 51 2HB LYS 51 -8.024 -4.319 11.194 407 HG2 LYS 51 1HG LYS 51 -5.653 -4.763 13.038 408 HG3 LYS 51 2HG LYS 51 -7.167 -5.674 13.087 409 HD2 LYS 51 1HD LYS 51 -6.764 -6.498 10.788 410 HD3 LYS 51 2HD LYS 51 -5.273 -5.554 10.700 411 HE2 LYS 51 1HE LYS 51 -5.817 -7.867 12.592 412 HE3 LYS 51 2HE LYS 51 -4.776 -7.903 11.168 413 HZ1 LYS 51 1HZ LYS 51 -3.343 -6.259 12.218 414 HZ2 LYS 51 2HZ LYS 51 -3.498 -7.630 13.193 415 HZ3 LYS 51 3HZ LYS 51 -4.345 -6.226 13.580 416 H LYS 52 H LYS 52 -5.941 -0.533 10.372 417 HA LYS 52 HA LYS 52 -8.340 -0.116 8.807 418 HB2 LYS 52 1HB LYS 52 -6.102 1.662 9.782 419 HB3 LYS 52 2HB LYS 52 -6.989 2.186 8.353 420 HG2 LYS 52 1HG LYS 52 -7.921 3.193 10.383 421 HG3 LYS 52 2HG LYS 52 -9.094 2.141 9.590 422 HD2 LYS 52 1HD LYS 52 -8.498 0.340 11.263 423 HD3 LYS 52 2HD LYS 52 -7.480 1.517 12.095 424 HE2 LYS 52 1HE LYS 52 -10.489 1.709 11.695 425 HE3 LYS 52 2HE LYS 52 -9.658 1.333 13.205 426 HZ1 LYS 52 1HZ LYS 52 -8.617 3.546 13.087 427 HZ2 LYS 52 2HZ LYS 52 -10.301 3.622 13.199 428 HZ3 LYS 52 3HZ LYS 52 -9.540 3.900 11.718 429 H VAL 53 H VAL 53 -8.504 -0.562 6.767 430 HA VAL 53 HA VAL 53 -6.229 -1.357 5.140 431 HB VAL 53 HB VAL 53 -9.204 -1.222 4.439 432 HG11 VAL 53 1HG1 VAL 53 -7.765 -1.270 2.444 433 HG12 VAL 53 2HG1 VAL 53 -8.669 -2.780 2.611 434 HG13 VAL 53 3HG1 VAL 53 -6.963 -2.720 3.058 435 HG21 VAL 53 1HG2 VAL 53 -7.626 -3.638 5.394 436 HG22 VAL 53 2HG2 VAL 53 -9.327 -3.621 4.929 437 HG23 VAL 53 3HG2 VAL 53 -8.797 -2.737 6.362 438 H ILE 54 H ILE 54 -5.096 0.432 4.606 439 HA ILE 54 HA ILE 54 -6.410 2.763 3.358 440 HB ILE 54 HB ILE 54 -3.528 2.383 4.342 441 HG12 ILE 54 1HG1 ILE 54 -5.844 4.005 5.506 442 HG13 ILE 54 2HG1 ILE 54 -5.146 2.551 6.204 443 HG21 ILE 54 1HG2 ILE 54 -3.190 4.782 3.864 444 HG22 ILE 54 2HG2 ILE 54 -4.824 4.892 3.214 445 HG23 ILE 54 3HG2 ILE 54 -3.615 3.908 2.389 446 HD11 ILE 54 1HD1 ILE 54 -4.396 4.446 7.425 447 HD12 ILE 54 2HD1 ILE 54 -3.842 5.256 5.964 448 HD13 ILE 54 3HD1 ILE 54 -3.022 3.799 6.530 449 H CYS 55 H CYS 55 -6.481 2.720 1.171 450 HA CYS 55 HA CYS 55 -4.667 0.930 -0.330 451 HB2 CYS 55 2HB CYS 55 -7.389 2.084 -1.098 452 HB3 CYS 55 1HB CYS 55 -6.409 1.014 -2.106 453 H VAL 56 H VAL 56 -3.368 1.824 -1.818 454 HA VAL 56 HA VAL 56 -3.452 4.734 -2.361 455 HB VAL 56 HB VAL 56 -1.001 4.835 -2.210 456 HG11 VAL 56 1HG1 VAL 56 -2.098 5.299 -0.102 457 HG12 VAL 56 2HG1 VAL 56 -0.630 4.385 0.232 458 HG13 VAL 56 3HG1 VAL 56 -2.198 3.581 0.288 459 HG21 VAL 56 1HG2 VAL 56 0.391 2.959 -1.452 460 HG22 VAL 56 2HG2 VAL 56 -0.449 2.547 -2.949 461 HG23 VAL 56 3HG2 VAL 56 -1.024 1.903 -1.409 462 H ASN 57 H ASN 57 -2.304 5.295 -4.398 463 HA ASN 57 HA ASN 57 -2.525 3.263 -6.482 464 HB2 ASN 57 1HB ASN 57 -1.924 5.091 -8.047 465 HB3 ASN 57 2HB ASN 57 -3.262 5.553 -7.005 466 HD21 ASN 57 1HD2 ASN 57 -1.595 8.598 -6.609 467 HD22 ASN 57 2HD2 ASN 57 -2.970 7.748 -7.217 468 HA PRO 58 HA PRO 58 1.871 2.116 -6.441 469 HB2 PRO 58 2HB PRO 58 2.438 1.652 -9.076 470 HB3 PRO 58 1HB PRO 58 1.347 0.590 -8.155 471 HG2 PRO 58 2HG PRO 58 0.610 2.886 -9.971 472 HG3 PRO 58 1HG PRO 58 -0.011 1.222 -9.980 473 HD2 PRO 58 2HD PRO 58 -1.395 3.175 -8.770 474 HD3 PRO 58 1HD PRO 58 -1.315 1.549 -8.050 475 H ARG 59 H ARG 59 0.747 4.971 -7.958 476 HA ARG 59 HA ARG 59 3.292 5.908 -9.003 477 HB2 ARG 59 1HB ARG 59 1.039 6.305 -10.131 478 HB3 ARG 59 2HB ARG 59 0.647 7.420 -8.826 479 HG2 ARG 59 1HG ARG 59 2.581 8.841 -9.484 480 HG3 ARG 59 2HG ARG 59 2.942 7.725 -10.800 481 HD2 ARG 59 1HD ARG 59 0.711 8.239 -11.794 482 HD3 ARG 59 2HD ARG 59 0.437 9.415 -10.500 483 HE ARG 59 HE ARG 59 2.861 10.089 -11.657 484 HH11 ARG 59 1HH1 ARG 59 -0.480 9.921 -12.761 485 HH12 ARG 59 2HH1 ARG 59 -0.267 11.163 -13.953 486 HH21 ARG 59 1HH2 ARG 59 3.122 11.709 -13.207 487 HH22 ARG 59 2HH2 ARG 59 1.779 12.179 -14.204 488 H ALA 60 H ALA 60 1.994 5.837 -5.920 489 HA ALA 60 HA ALA 60 2.599 8.389 -4.864 490 HB1 ALA 60 1HB ALA 60 2.586 7.245 -2.655 491 HB2 ALA 60 2HB ALA 60 2.567 5.685 -3.480 492 HB3 ALA 60 3HB ALA 60 1.202 6.788 -3.652 493 H LYS 61 H LYS 61 4.504 9.362 -4.556 494 HA LYS 61 HA LYS 61 6.941 8.329 -5.523 495 HB2 LYS 61 1HB LYS 61 6.307 10.757 -5.545 496 HB3 LYS 61 2HB LYS 61 6.446 10.798 -3.797 497 HG2 LYS 61 1HG LYS 61 8.474 11.754 -4.427 498 HG3 LYS 61 2HG LYS 61 8.950 10.070 -4.234 499 HD2 LYS 61 1HD LYS 61 9.944 10.991 -6.267 500 HD3 LYS 61 2HD LYS 61 8.762 9.768 -6.718 501 HE2 LYS 61 1HE LYS 61 7.106 11.577 -7.189 502 HE3 LYS 61 2HE LYS 61 8.328 12.780 -6.770 503 HZ1 LYS 61 1HZ LYS 61 9.701 11.865 -8.595 504 HZ2 LYS 61 2HZ LYS 61 8.254 12.555 -9.120 505 HZ3 LYS 61 3HZ LYS 61 8.405 10.874 -9.046 506 H TRP 62 H TRP 62 5.834 9.053 -2.243 507 HA TRP 62 HA TRP 62 8.090 8.266 -0.781 508 HB2 TRP 62 2HB TRP 62 6.553 8.170 1.178 509 HB3 TRP 62 1HB TRP 62 6.299 9.622 0.220 510 HD1 TRP 62 1HD TRP 62 3.964 9.735 -1.241 511 HE1 TRP 62 1HE TRP 62 1.705 8.566 -0.885 512 HE3 TRP 62 3HE TRP 62 5.404 6.065 2.040 513 HZ2 TRP 62 2HZ TRP 62 0.659 6.431 0.569 514 HZ3 TRP 62 3HZ TRP 62 3.691 4.500 2.868 515 HH2 TRP 62 2HH TRP 62 1.361 4.674 2.147 516 H LEU 63 H LEU 63 5.365 6.420 -2.048 517 HA LEU 63 HA LEU 63 5.707 4.009 -0.630 518 HB2 LEU 63 1HB LEU 63 3.645 4.610 -1.834 519 HB3 LEU 63 2HB LEU 63 4.497 4.514 -3.365 520 HG LEU 63 HG LEU 63 4.898 2.028 -2.846 521 HD11 LEU 63 1HD1 LEU 63 4.504 1.995 -0.475 522 HD12 LEU 63 2HD1 LEU 63 3.340 0.943 -1.275 523 HD13 LEU 63 3HD1 LEU 63 2.840 2.534 -0.695 524 HD21 LEU 63 1HD2 LEU 63 2.065 2.987 -3.297 525 HD22 LEU 63 2HD2 LEU 63 2.649 1.351 -3.596 526 HD23 LEU 63 3HD2 LEU 63 3.299 2.697 -4.522 527 H GLN 64 H GLN 64 7.040 5.148 -3.741 528 HA GLN 64 HA GLN 64 8.176 2.754 -4.662 529 HB2 GLN 64 1HB GLN 64 8.969 5.646 -5.154 530 HB3 GLN 64 2HB GLN 64 9.757 4.298 -5.976 531 HG2 GLN 64 1HG GLN 64 6.808 4.987 -6.120 532 HG3 GLN 64 2HG GLN 64 8.010 5.278 -7.377 533 HE21 GLN 64 1HE2 GLN 64 6.043 2.046 -7.845 534 HE22 GLN 64 2HE2 GLN 64 5.543 3.588 -7.271 535 H ARG 65 H ARG 65 9.435 5.165 -2.471 536 HA ARG 65 HA ARG 65 12.065 4.264 -2.098 537 HB2 ARG 65 1HB ARG 65 10.166 5.592 -0.123 538 HB3 ARG 65 2HB ARG 65 11.896 5.409 0.134 539 HG2 ARG 65 1HG ARG 65 12.386 6.893 -1.740 540 HG3 ARG 65 2HG ARG 65 10.672 7.003 -2.151 541 HD2 ARG 65 1HD ARG 65 11.566 8.989 -0.872 542 HD3 ARG 65 2HD ARG 65 10.174 8.198 -0.122 543 HE ARG 65 HE ARG 65 12.971 7.730 0.752 544 HH11 ARG 65 1HH1 ARG 65 9.605 8.355 1.583 545 HH12 ARG 65 2HH1 ARG 65 9.884 8.235 3.288 546 HH21 ARG 65 1HH2 ARG 65 13.290 7.480 2.988 547 HH22 ARG 65 2HH2 ARG 65 11.971 7.740 4.083 548 H LEU 66 H LEU 66 9.018 3.368 -0.533 549 HA LEU 66 HA LEU 66 10.062 1.521 1.379 550 HB2 LEU 66 1HB LEU 66 7.291 2.101 0.300 551 HB3 LEU 66 2HB LEU 66 7.547 0.718 1.348 552 HG LEU 66 HG LEU 66 8.237 2.169 3.199 553 HD11 LEU 66 1HD1 LEU 66 7.787 4.546 1.386 554 HD12 LEU 66 2HD1 LEU 66 9.347 3.987 1.992 555 HD13 LEU 66 3HD1 LEU 66 8.135 4.602 3.112 556 HD21 LEU 66 1HD2 LEU 66 5.652 3.050 1.901 557 HD22 LEU 66 2HD2 LEU 66 6.084 3.322 3.590 558 HD23 LEU 66 3HD2 LEU 66 5.885 1.681 2.987 559 H LEU 67 H LEU 67 8.652 1.159 -1.861 560 HA LEU 67 HA LEU 67 8.436 -1.654 -1.941 561 HB2 LEU 67 1HB LEU 67 8.724 0.345 -4.235 562 HB3 LEU 67 2HB LEU 67 8.298 -1.347 -4.445 563 HG LEU 67 HG LEU 67 6.617 0.745 -3.007 564 HD11 LEU 67 1HD1 LEU 67 6.169 -0.590 -5.693 565 HD12 LEU 67 2HD1 LEU 67 6.632 1.090 -5.418 566 HD13 LEU 67 3HD1 LEU 67 5.056 0.519 -4.884 567 HD21 LEU 67 1HD2 LEU 67 5.998 -2.179 -3.532 568 HD22 LEU 67 2HD2 LEU 67 4.846 -0.985 -2.929 569 HD23 LEU 67 3HD2 LEU 67 6.247 -1.414 -1.959 570 H ARG 68 H ARG 68 11.060 0.552 -2.805 571 HA ARG 68 HA ARG 68 12.852 -1.502 -3.761 572 HB2 ARG 68 1HB ARG 68 12.920 0.863 -4.519 573 HB3 ARG 68 2HB ARG 68 13.407 1.368 -2.905 574 HG2 ARG 68 1HG ARG 68 15.537 0.201 -3.130 575 HG3 ARG 68 2HG ARG 68 15.030 -0.507 -4.667 576 HD2 ARG 68 1HD ARG 68 15.570 2.426 -4.091 577 HD3 ARG 68 2HD ARG 68 16.511 1.354 -5.137 578 HE ARG 68 HE ARG 68 13.981 1.299 -6.192 579 HH11 ARG 68 1HH1 ARG 68 16.253 3.905 -5.558 580 HH12 ARG 68 2HH1 ARG 68 15.646 4.890 -6.847 581 HH21 ARG 68 1HH2 ARG 68 13.198 2.597 -7.845 582 HH22 ARG 68 2HH2 ARG 68 13.913 4.149 -8.147 583 H HIS 69 H HIS 69 12.326 0.181 -0.681 584 HA HIS 69 HA HIS 69 14.786 -0.708 0.535 585 HB2 HIS 69 1HB HIS 69 12.472 0.970 1.459 586 HB3 HIS 69 2HB HIS 69 13.465 0.225 2.700 587 HD1 HIS 69 HD1 HIS 69 14.050 2.373 -0.423 588 HD2 HIS 69 HD2 HIS 69 15.564 1.773 3.402 589 HE1 HIS 69 HE1 HIS 69 15.922 4.022 -0.156 590 HE2 HIS 69 HE2 HIS 69 16.806 3.651 2.159 591 H VAL 70 H VAL 70 11.711 -2.197 0.213 592 HA VAL 70 HA VAL 70 12.114 -4.021 2.469 593 HB VAL 70 HB VAL 70 10.039 -5.156 1.745 594 HG11 VAL 70 1HG1 VAL 70 9.829 -3.238 3.253 595 HG12 VAL 70 2HG1 VAL 70 8.446 -3.309 2.161 596 HG13 VAL 70 3HG1 VAL 70 9.732 -2.134 1.880 597 HG21 VAL 70 1HG2 VAL 70 10.267 -4.884 -0.702 598 HG22 VAL 70 2HG2 VAL 70 9.934 -3.160 -0.550 599 HG23 VAL 70 3HG2 VAL 70 8.690 -4.334 -0.137 600 H GLN 71 H GLN 71 13.313 -3.835 -0.688 601 HA GLN 71 HA GLN 71 13.392 -6.729 -1.158 602 HB2 GLN 71 1HB GLN 71 14.180 -4.407 -2.955 603 HB3 GLN 71 2HB GLN 71 14.279 -6.097 -3.422 604 HG2 GLN 71 1HG GLN 71 11.696 -4.707 -2.645 605 HG3 GLN 71 2HG GLN 71 12.276 -4.857 -4.302 606 HE21 GLN 71 1HE2 GLN 71 10.194 -7.674 -4.476 607 HE22 GLN 71 2HE2 GLN 71 10.470 -6.040 -4.960 608 H SER 72 H SER 72 16.055 -4.748 -2.328 609 HA SER 72 HA SER 72 17.887 -6.718 -1.150 610 HB2 SER 72 1HB SER 72 18.295 -4.831 -3.517 611 HB3 SER 72 2HB SER 72 19.380 -6.135 -3.023 612 HG SER 72 HG SER 72 16.777 -6.936 -3.441 613 H LYS 73 H LYS 73 16.834 -3.751 -0.316 614 HA LYS 73 HA LYS 73 19.044 -2.128 0.179 615 HB2 LYS 73 1HB LYS 73 16.754 -1.337 0.458 616 HB3 LYS 73 2HB LYS 73 16.446 -2.494 1.736 617 HG2 LYS 73 1HG LYS 73 18.595 -0.424 2.178 618 HG3 LYS 73 2HG LYS 73 16.909 0.081 2.261 619 HD2 LYS 73 1HD LYS 73 16.473 -1.546 4.047 620 HD3 LYS 73 2HD LYS 73 18.121 -2.161 3.929 621 HE2 LYS 73 1HE LYS 73 17.329 0.638 4.800 622 HE3 LYS 73 2HE LYS 73 17.850 -0.668 5.864 623 HZ1 LYS 73 1HZ LYS 73 19.655 0.836 5.435 624 HZ2 LYS 73 2HZ LYS 73 19.491 0.638 3.766 625 HZ3 LYS 73 3HZ LYS 73 20.003 -0.651 4.724 626 H SER 74 H SER 74 20.743 -2.286 1.506 627 HA SER 74 HA SER 74 21.522 -4.643 2.739 628 HB2 SER 74 1HB SER 74 22.598 -1.851 3.325 629 HB3 SER 74 2HB SER 74 23.464 -3.381 3.528 630 HG SER 74 HG SER 74 23.739 -2.005 1.512 631 H LEU 75 H LEU 75 21.037 -5.541 4.693 632 HA LEU 75 HA LEU 75 19.510 -4.221 6.708 633 HB2 LEU 75 1HB LEU 75 19.803 -6.131 8.113 634 HB3 LEU 75 2HB LEU 75 19.571 -6.719 6.480 635 HG LEU 75 HG LEU 75 22.342 -6.503 7.731 636 HD11 LEU 75 1HD1 LEU 75 22.220 -8.889 8.313 637 HD12 LEU 75 2HD1 LEU 75 20.524 -8.934 7.821 638 HD13 LEU 75 3HD1 LEU 75 21.020 -7.946 9.197 639 HD21 LEU 75 1HD2 LEU 75 22.982 -8.156 6.039 640 HD22 LEU 75 2HD2 LEU 75 22.302 -6.717 5.283 641 HD23 LEU 75 3HD2 LEU 75 21.330 -8.185 5.415 642 H SER 76 H SER 76 20.317 -4.020 9.014 643 HA SER 76 HA SER 76 21.453 -2.841 10.545 644 HB2 SER 76 1HB SER 76 23.948 -3.595 8.963 645 HB3 SER 76 2HB SER 76 23.917 -3.011 10.631 646 HG SER 76 HG SER 76 23.182 -5.503 9.583 647 H SER 77 H SER 77 23.287 -0.976 10.704 648 HA SER 77 HA SER 77 23.420 0.914 8.542 649 HB2 SER 77 1HB SER 77 21.018 1.212 9.275 650 HB3 SER 77 2HB SER 77 21.583 1.586 10.903 651 HG SER 77 HG SER 77 21.904 3.089 8.520 652 H THR 78 H THR 78 24.081 3.194 9.778 653 HA THR 78 HA THR 78 26.513 2.847 11.148 654 HB THR 78 HB THR 78 26.264 5.320 11.686 655 HG1 THR 78 1HG THR 78 23.753 4.905 11.614 656 HG21 THR 78 1HG2 THR 78 25.607 4.568 8.807 657 HG22 THR 78 2HG2 THR 78 27.230 4.673 9.502 658 HG23 THR 78 3HG2 THR 78 26.237 6.124 9.338 659 HA PRO 79 HA PRO 79 25.157 1.788 15.388 660 HB2 PRO 79 2HB PRO 79 27.494 3.530 16.202 661 HB3 PRO 79 1HB PRO 79 27.073 1.886 16.734 662 HG2 PRO 79 2HG PRO 79 29.047 2.240 14.994 663 HG3 PRO 79 1HG PRO 79 27.909 0.887 14.796 664 HD2 PRO 79 2HD PRO 79 28.032 3.479 13.269 665 HD3 PRO 79 1HD PRO 79 27.635 1.844 12.694 666 H GLN 80 H GLN 80 24.263 2.761 17.272 667 HA GLN 80 HA GLN 80 22.632 5.040 16.803 668 HB2 GLN 80 1HB GLN 80 23.274 3.610 19.425 669 HB3 GLN 80 2HB GLN 80 21.976 4.776 19.215 670 HG2 GLN 80 1HG GLN 80 20.744 3.297 17.789 671 HG3 GLN 80 2HG GLN 80 22.105 2.192 17.641 672 HE21 GLN 80 1HE2 GLN 80 20.489 0.233 20.043 673 HE22 GLN 80 2HE2 GLN 80 21.019 0.399 18.405 674 H ALA 81 H ALA 81 22.790 7.172 17.564 675 HA ALA 81 HA ALA 81 25.346 8.328 17.780 676 HB1 ALA 81 1HB ALA 81 22.659 9.554 18.528 677 HB2 ALA 81 2HB ALA 81 23.394 9.569 16.925 678 HB3 ALA 81 3HB ALA 81 24.160 10.450 18.246 679 HA PRO 82 HA PRO 82 26.465 7.828 22.177 680 HB2 PRO 82 2HB PRO 82 27.661 10.575 21.724 681 HB3 PRO 82 1HB PRO 82 28.387 9.140 22.484 682 HG2 PRO 82 2HG PRO 82 29.073 9.788 20.012 683 HG3 PRO 82 1HG PRO 82 28.798 8.084 20.444 684 HD2 PRO 82 2HD PRO 82 27.013 9.935 18.884 685 HD3 PRO 82 1HD PRO 82 27.304 8.193 18.669 686 H VAL 83 H VAL 83 24.663 7.997 23.409 687 HA VAL 83 HA VAL 83 24.081 10.450 24.772 688 HB VAL 83 HB VAL 83 22.632 10.884 22.834 689 HG11 VAL 83 1HG1 VAL 83 22.314 8.601 22.006 690 HG12 VAL 83 2HG1 VAL 83 20.770 9.438 22.161 691 HG13 VAL 83 3HG1 VAL 83 21.253 8.238 23.366 692 HG21 VAL 83 1HG2 VAL 83 20.441 11.184 23.942 693 HG22 VAL 83 2HG2 VAL 83 21.771 11.635 25.009 694 HG23 VAL 83 3HG2 VAL 83 20.946 10.093 25.238 695 H SER 84 H SER 84 23.667 9.880 26.836 696 HA SER 84 HA SER 84 22.615 7.177 27.462 697 HB2 SER 84 1HB SER 84 23.581 7.622 29.746 698 HB3 SER 84 2HB SER 84 24.800 7.643 28.469 699 HG SER 84 HG SER 84 25.274 9.502 29.349 700 H LYS 85 H LYS 85 20.808 6.974 28.722 701 HA LYS 85 HA LYS 85 18.834 9.027 28.628 702 HB2 LYS 85 1HB LYS 85 18.541 6.437 28.530 703 HB3 LYS 85 2HB LYS 85 18.678 6.452 30.277 704 HG2 LYS 85 1HG LYS 85 16.556 7.985 28.741 705 HG3 LYS 85 2HG LYS 85 16.322 6.343 29.344 706 HD2 LYS 85 1HD LYS 85 16.699 7.171 31.664 707 HD3 LYS 85 2HD LYS 85 16.901 8.806 31.031 708 HE2 LYS 85 1HE LYS 85 14.563 8.681 30.140 709 HE3 LYS 85 2HE LYS 85 14.380 7.125 30.956 710 HZ1 LYS 85 1HZ LYS 85 15.093 9.657 32.325 711 HZ2 LYS 85 2HZ LYS 85 14.726 8.175 33.055 712 HZ3 LYS 85 3HZ LYS 85 13.527 9.033 32.230 713 H ARG 86 H ARG 86 18.476 10.617 30.070 714 HA ARG 86 HA ARG 86 20.229 10.950 32.371 715 HB2 ARG 86 1HB ARG 86 18.104 12.818 31.224 716 HB3 ARG 86 2HB ARG 86 19.272 13.250 32.463 717 HG2 ARG 86 1HG ARG 86 19.968 12.494 29.611 718 HG3 ARG 86 2HG ARG 86 19.819 14.142 30.213 719 HD2 ARG 86 1HD ARG 86 22.136 13.700 30.168 720 HD3 ARG 86 2HD ARG 86 21.685 13.560 31.867 721 HE ARG 86 HE ARG 86 22.002 11.193 30.111 722 HH11 ARG 86 1HH1 ARG 86 22.839 12.873 33.099 723 HH12 ARG 86 2HH1 ARG 86 23.733 11.526 33.727 724 HH21 ARG 86 1HH2 ARG 86 23.181 9.464 30.967 725 HH22 ARG 86 2HH2 ARG 86 23.928 9.607 32.525 726 H ARG 87 H ARG 87 19.551 11.402 34.474 727 HA ARG 87 HA ARG 87 17.194 10.108 35.479 728 HB2 ARG 87 1HB ARG 87 19.198 10.080 36.846 729 HB3 ARG 87 2HB ARG 87 19.340 11.829 36.793 730 HG2 ARG 87 1HG ARG 87 18.584 11.094 38.996 731 HG3 ARG 87 2HG ARG 87 17.337 12.056 38.208 732 HD2 ARG 87 1HD ARG 87 16.188 9.892 37.567 733 HD3 ARG 87 2HD ARG 87 17.376 9.033 38.563 734 HE ARG 87 HE ARG 87 16.289 11.044 40.148 735 HH11 ARG 87 1HH1 ARG 87 15.091 8.109 38.606 736 HH12 ARG 87 2HH1 ARG 87 13.832 7.876 39.776 737 HH21 ARG 87 1HH2 ARG 87 14.611 10.763 41.620 738 HH22 ARG 87 2HH2 ARG 87 13.558 9.387 41.493 739 H ALA 88 H ALA 88 18.207 13.471 34.920 740 HA ALA 88 HA ALA 88 15.587 14.394 34.338 741 HB1 ALA 88 1HB ALA 88 15.289 14.336 36.802 742 HB2 ALA 88 2HB ALA 88 15.259 15.996 36.204 743 HB3 ALA 88 3HB ALA 88 16.704 15.371 37.004 744 H ALA 89 H ALA 89 16.409 15.407 32.541 745 HA ALA 89 HA ALA 89 18.555 17.428 32.835 746 HB1 ALA 89 1HB ALA 89 17.472 16.126 30.301 747 HB2 ALA 89 2HB ALA 89 18.975 15.697 31.120 748 HB3 ALA 89 3HB ALA 89 18.799 17.290 30.383 Start of MODEL 14 1 H1 MET 1 1H MET 1 5.427 -3.292 7.933 2 H2 MET 1 2H MET 1 5.415 -4.979 7.839 3 H3 MET 1 3H MET 1 4.686 -4.058 6.625 4 HA MET 1 HA MET 1 6.777 -3.141 5.974 5 HB2 MET 1 1HB MET 1 7.739 -3.288 8.316 6 HB3 MET 1 2HB MET 1 7.983 -5.013 8.069 7 HG2 MET 1 1HG MET 1 10.056 -3.702 7.758 8 HG3 MET 1 2HG MET 1 9.586 -4.562 6.291 9 HE1 MET 1 1HE MET 1 8.806 -0.009 6.793 10 HE2 MET 1 2HE MET 1 9.718 -0.906 8.008 11 HE3 MET 1 3HE MET 1 8.007 -1.254 7.755 12 H ILE 2 H ILE 2 5.271 -6.149 6.407 13 HA ILE 2 HA ILE 2 6.944 -7.793 4.732 14 HB ILE 2 HB ILE 2 4.087 -8.252 5.744 15 HG12 ILE 2 1HG1 ILE 2 5.253 -10.016 7.235 16 HG13 ILE 2 2HG1 ILE 2 6.778 -9.269 6.791 17 HG21 ILE 2 1HG2 ILE 2 4.476 -9.535 3.672 18 HG22 ILE 2 2HG2 ILE 2 4.364 -10.613 5.058 19 HG23 ILE 2 3HG2 ILE 2 5.942 -10.241 4.363 20 HD11 ILE 2 1HD1 ILE 2 6.080 -7.198 7.881 21 HD12 ILE 2 2HD1 ILE 2 5.998 -8.568 8.990 22 HD13 ILE 2 3HD1 ILE 2 4.522 -7.922 8.275 23 H LEU 3 H LEU 3 6.764 -8.088 2.516 24 HA LEU 3 HA LEU 3 4.826 -6.483 1.013 25 HB2 LEU 3 1HB LEU 3 7.192 -6.397 0.318 26 HB3 LEU 3 2HB LEU 3 7.222 -8.140 0.106 27 HG LEU 3 HG LEU 3 5.534 -7.881 -1.767 28 HD11 LEU 3 1HD1 LEU 3 5.254 -5.663 -2.826 29 HD12 LEU 3 2HD1 LEU 3 6.058 -4.911 -1.448 30 HD13 LEU 3 3HD1 LEU 3 4.519 -5.745 -1.228 31 HD21 LEU 3 1HD2 LEU 3 7.918 -8.172 -2.248 32 HD22 LEU 3 2HD2 LEU 3 8.164 -6.426 -2.165 33 HD23 LEU 3 3HD2 LEU 3 7.157 -7.117 -3.439 34 H GLU 4 H GLU 4 3.079 -7.346 0.081 35 HA GLU 4 HA GLU 4 2.701 -10.275 -0.116 36 HB2 GLU 4 1HB GLU 4 0.673 -8.047 0.370 37 HB3 GLU 4 2HB GLU 4 0.213 -9.704 0.029 38 HG2 GLU 4 1HG GLU 4 1.844 -8.808 2.421 39 HG3 GLU 4 2HG GLU 4 0.103 -9.095 2.436 40 H ALA 5 H ALA 5 1.614 -11.066 -1.933 41 HA ALA 5 HA ALA 5 1.366 -9.322 -4.324 42 HB1 ALA 5 1HB ALA 5 2.162 -12.261 -4.183 43 HB2 ALA 5 2HB ALA 5 3.241 -10.914 -4.547 44 HB3 ALA 5 3HB ALA 5 1.942 -11.327 -5.667 45 H HIS 6 H HIS 6 -0.472 -9.882 -5.756 46 HA HIS 6 HA HIS 6 -2.745 -10.707 -4.171 47 HB2 HIS 6 1HB HIS 6 -4.181 -9.813 -5.829 48 HB3 HIS 6 2HB HIS 6 -2.804 -8.722 -5.784 49 HD1 HIS 6 HD1 HIS 6 -1.000 -9.275 -7.841 50 HD2 HIS 6 HD2 HIS 6 -4.954 -10.437 -8.341 51 HE1 HIS 6 HE1 HIS 6 -1.278 -9.665 -10.304 52 HE2 HIS 6 HE2 HIS 6 -3.601 -10.567 -10.535 53 H TYR 7 H TYR 7 -2.537 -12.840 -3.764 54 HA TYR 7 HA TYR 7 -2.894 -14.773 -5.979 55 HB2 TYR 7 2HB TYR 7 -2.379 -15.208 -3.003 56 HB3 TYR 7 1HB TYR 7 -2.587 -16.502 -4.182 57 HD1 TYR 7 1HD TYR 7 -0.952 -16.177 -6.371 58 HD2 TYR 7 2HD TYR 7 -0.125 -14.736 -2.426 59 HE1 TYR 7 1HE TYR 7 1.445 -16.167 -6.876 60 HE2 TYR 7 2HE TYR 7 2.284 -14.731 -2.946 61 HH TYR 7 HH TYR 7 3.830 -15.894 -4.521 62 H THR 8 H THR 8 -4.692 -12.811 -4.027 63 HA THR 8 HA THR 8 -7.013 -14.390 -3.554 64 HB THR 8 HB THR 8 -8.126 -12.115 -3.256 65 HG1 THR 8 1HG THR 8 -6.340 -10.384 -3.131 66 HG21 THR 8 1HG2 THR 8 -5.514 -12.463 -1.726 67 HG22 THR 8 2HG2 THR 8 -7.048 -13.235 -1.322 68 HG23 THR 8 3HG2 THR 8 -6.889 -11.482 -1.215 69 H ASN 9 H ASN 9 -6.466 -11.693 -5.850 70 HA ASN 9 HA ASN 9 -7.197 -11.205 -7.917 71 HB2 ASN 9 1HB ASN 9 -5.608 -13.087 -8.380 72 HB3 ASN 9 2HB ASN 9 -6.949 -14.223 -8.332 73 HD21 ASN 9 1HD2 ASN 9 -8.019 -13.533 -11.615 74 HD22 ASN 9 2HD2 ASN 9 -8.395 -14.284 -10.104 75 H LEU 10 H LEU 10 -9.239 -10.715 -6.681 76 HA LEU 10 HA LEU 10 -11.606 -12.030 -7.881 77 HB2 LEU 10 1HB LEU 10 -11.319 -11.147 -4.960 78 HB3 LEU 10 2HB LEU 10 -12.813 -11.708 -5.685 79 HG LEU 10 HG LEU 10 -10.334 -13.423 -5.259 80 HD11 LEU 10 1HD1 LEU 10 -11.628 -14.538 -3.475 81 HD12 LEU 10 2HD1 LEU 10 -12.940 -13.377 -3.694 82 HD13 LEU 10 3HD1 LEU 10 -11.363 -12.831 -3.121 83 HD21 LEU 10 1HD2 LEU 10 -13.088 -14.158 -6.310 84 HD22 LEU 10 2HD2 LEU 10 -11.891 -15.337 -5.773 85 HD23 LEU 10 3HD2 LEU 10 -11.541 -14.302 -7.150 86 H LYS 11 H LYS 11 -13.599 -10.378 -7.112 87 HA LYS 11 HA LYS 11 -13.160 -7.784 -8.057 88 HB2 LYS 11 1HB LYS 11 -15.342 -7.155 -7.013 89 HB3 LYS 11 2HB LYS 11 -15.437 -8.606 -7.994 90 HG2 LYS 11 1HG LYS 11 -15.519 -10.004 -5.975 91 HG3 LYS 11 2HG LYS 11 -15.312 -8.577 -4.962 92 HD2 LYS 11 1HD LYS 11 -17.491 -7.719 -5.659 93 HD3 LYS 11 2HD LYS 11 -17.672 -9.032 -6.831 94 HE2 LYS 11 1HE LYS 11 -18.983 -9.394 -4.731 95 HE3 LYS 11 2HE LYS 11 -17.818 -10.679 -5.049 96 HZ1 LYS 11 1HZ LYS 11 -17.785 -10.066 -2.735 97 HZ2 LYS 11 2HZ LYS 11 -17.481 -8.446 -3.109 98 HZ3 LYS 11 3HZ LYS 11 -16.317 -9.627 -3.444 99 H CYS 12 H CYS 12 -11.313 -7.008 -7.234 100 HA CYS 12 HA CYS 12 -10.459 -6.961 -4.566 101 HB2 CYS 12 2HB CYS 12 -9.621 -5.160 -6.875 102 HB3 CYS 12 1HB CYS 12 -8.717 -5.386 -5.374 103 H ARG 13 H ARG 13 -11.345 -5.906 -2.936 104 HA ARG 13 HA ARG 13 -12.850 -3.410 -3.387 105 HB2 ARG 13 1HB ARG 13 -13.097 -5.562 -1.252 106 HB3 ARG 13 2HB ARG 13 -13.878 -3.996 -1.090 107 HG2 ARG 13 1HG ARG 13 -14.375 -6.023 -3.291 108 HG3 ARG 13 2HG ARG 13 -15.468 -5.636 -1.958 109 HD2 ARG 13 1HD ARG 13 -15.507 -3.240 -2.843 110 HD3 ARG 13 2HD ARG 13 -14.650 -3.844 -4.266 111 HE ARG 13 HE ARG 13 -16.697 -5.422 -4.411 112 HH11 ARG 13 1HH1 ARG 13 -16.746 -2.027 -3.489 113 HH12 ARG 13 2HH1 ARG 13 -18.361 -1.767 -4.065 114 HH21 ARG 13 1HH2 ARG 13 -18.839 -5.076 -5.130 115 HH22 ARG 13 2HH2 ARG 13 -19.551 -3.499 -4.995 116 H CYS 14 H CYS 14 -11.335 -1.912 -3.284 117 HA CYS 14 HA CYS 14 -9.977 -1.408 -0.714 118 HB2 CYS 14 2HB CYS 14 -8.572 -2.331 -2.890 119 HB3 CYS 14 1HB CYS 14 -8.505 -0.610 -3.214 120 H SER 15 H SER 15 -9.524 0.909 -0.440 121 HA SER 15 HA SER 15 -11.658 2.632 -0.948 122 HB2 SER 15 1HB SER 15 -8.808 3.434 -0.238 123 HB3 SER 15 2HB SER 15 -10.289 4.328 0.128 124 HG SER 15 HG SER 15 -9.121 2.328 1.515 125 H GLY 16 H GLY 16 -9.223 1.831 -3.207 126 HA2 GLY 16 1HA GLY 16 -9.006 2.660 -5.381 127 HA3 GLY 16 2HA GLY 16 -9.805 4.155 -4.907 128 H VAL 17 H VAL 17 -8.519 5.910 -4.371 129 HA VAL 17 HA VAL 17 -5.668 5.445 -3.664 130 HB VAL 17 HB VAL 17 -6.646 7.793 -5.376 131 HG11 VAL 17 1HG1 VAL 17 -3.825 6.964 -4.587 132 HG12 VAL 17 2HG1 VAL 17 -4.713 8.351 -3.954 133 HG13 VAL 17 3HG1 VAL 17 -4.245 8.309 -5.653 134 HG21 VAL 17 1HG2 VAL 17 -5.422 6.755 -7.258 135 HG22 VAL 17 2HG2 VAL 17 -6.732 5.722 -6.687 136 HG23 VAL 17 3HG2 VAL 17 -5.068 5.346 -6.248 137 H ILE 18 H ILE 18 -5.007 6.493 -1.860 138 HA ILE 18 HA ILE 18 -6.542 8.792 -0.782 139 HB ILE 18 HB ILE 18 -5.091 6.707 0.954 140 HG12 ILE 18 1HG1 ILE 18 -8.103 6.846 0.415 141 HG13 ILE 18 2HG1 ILE 18 -7.022 5.598 -0.186 142 HG21 ILE 18 1HG2 ILE 18 -7.104 8.866 1.713 143 HG22 ILE 18 2HG2 ILE 18 -5.362 8.950 1.974 144 HG23 ILE 18 3HG2 ILE 18 -6.317 7.746 2.825 145 HD11 ILE 18 1HD1 ILE 18 -7.702 6.098 2.715 146 HD12 ILE 18 2HD1 ILE 18 -6.598 4.858 2.114 147 HD13 ILE 18 3HD1 ILE 18 -8.307 4.798 1.693 148 H SER 19 H SER 19 -5.202 10.551 -0.254 149 HA SER 19 HA SER 19 -2.504 10.504 -1.322 150 HB2 SER 19 1HB SER 19 -4.102 12.336 -1.833 151 HB3 SER 19 2HB SER 19 -4.146 12.778 -0.125 152 HG SER 19 HG SER 19 -2.035 13.440 -0.256 153 H THR 20 H THR 20 -3.262 9.272 1.483 154 HA THR 20 HA THR 20 -1.827 10.943 3.376 155 HB THR 20 HB THR 20 -2.372 9.068 5.022 156 HG1 THR 20 1HG THR 20 -2.614 7.387 3.453 157 HG21 THR 20 1HG2 THR 20 -4.739 10.262 3.540 158 HG22 THR 20 2HG2 THR 20 -3.829 11.053 4.829 159 HG23 THR 20 3HG2 THR 20 -4.765 9.599 5.175 160 H VAL 21 H VAL 21 0.281 10.838 3.667 161 HA VAL 21 HA VAL 21 1.980 8.645 2.882 162 HB VAL 21 HB VAL 21 2.584 11.081 4.641 163 HG11 VAL 21 1HG1 VAL 21 4.972 10.601 4.205 164 HG12 VAL 21 2HG1 VAL 21 4.525 9.132 3.335 165 HG13 VAL 21 3HG1 VAL 21 4.193 9.268 5.063 166 HG21 VAL 21 1HG2 VAL 21 3.648 12.038 2.608 167 HG22 VAL 21 2HG2 VAL 21 1.925 11.744 2.370 168 HG23 VAL 21 3HG2 VAL 21 3.111 10.638 1.676 169 H VAL 22 H VAL 22 2.106 6.813 4.032 170 HA VAL 22 HA VAL 22 0.994 6.684 6.756 171 HB VAL 22 HB VAL 22 1.610 4.343 4.873 172 HG11 VAL 22 1HG1 VAL 22 0.003 3.100 6.280 173 HG12 VAL 22 2HG1 VAL 22 -0.215 4.522 7.301 174 HG13 VAL 22 3HG1 VAL 22 1.352 3.714 7.242 175 HG21 VAL 22 1HG2 VAL 22 -1.036 5.813 5.168 176 HG22 VAL 22 2HG2 VAL 22 -0.769 4.350 4.214 177 HG23 VAL 22 3HG2 VAL 22 0.019 5.862 3.757 178 H GLY 23 H GLY 23 2.260 6.150 8.472 179 HA2 GLY 23 1HA GLY 23 5.102 6.244 8.310 180 HA3 GLY 23 2HA GLY 23 4.143 5.946 9.751 181 H LEU 24 H LEU 24 6.628 4.683 8.571 182 HA LEU 24 HA LEU 24 6.070 2.133 7.463 183 HB2 LEU 24 1HB LEU 24 8.592 3.269 8.722 184 HB3 LEU 24 2HB LEU 24 8.519 1.635 8.087 185 HG LEU 24 HG LEU 24 7.958 2.613 5.816 186 HD11 LEU 24 1HD1 LEU 24 8.539 4.991 5.396 187 HD12 LEU 24 2HD1 LEU 24 8.633 5.255 7.138 188 HD13 LEU 24 3HD1 LEU 24 7.100 4.793 6.393 189 HD21 LEU 24 1HD2 LEU 24 10.299 3.285 5.335 190 HD22 LEU 24 2HD2 LEU 24 10.204 1.835 6.323 191 HD23 LEU 24 3HD2 LEU 24 10.612 3.379 7.068 192 H ASN 25 H ASN 25 6.464 3.281 10.694 193 HA ASN 25 HA ASN 25 6.864 0.888 12.114 194 HB2 ASN 25 1HB ASN 25 6.162 2.196 14.107 195 HB3 ASN 25 2HB ASN 25 7.329 3.065 13.123 196 HD21 ASN 25 1HD2 ASN 25 4.353 5.191 14.230 197 HD22 ASN 25 2HD2 ASN 25 5.251 3.983 15.077 198 H ILE 26 H ILE 26 3.910 2.448 10.920 199 HA ILE 26 HA ILE 26 2.252 0.443 12.327 200 HB ILE 26 HB ILE 26 0.294 1.790 11.879 201 HG12 ILE 26 1HG1 ILE 26 2.079 3.743 10.344 202 HG13 ILE 26 2HG1 ILE 26 0.925 2.640 9.607 203 HG21 ILE 26 1HG2 ILE 26 1.628 2.394 13.858 204 HG22 ILE 26 2HG2 ILE 26 0.820 3.812 13.192 205 HG23 ILE 26 3HG2 ILE 26 2.543 3.564 12.902 206 HD11 ILE 26 1HD1 ILE 26 0.256 4.943 11.439 207 HD12 ILE 26 2HD1 ILE 26 -0.908 3.816 10.737 208 HD13 ILE 26 3HD1 ILE 26 0.034 4.875 9.691 209 H ILE 27 H ILE 27 3.488 1.198 9.162 210 HA ILE 27 HA ILE 27 1.659 -0.277 7.577 211 HB ILE 27 HB ILE 27 4.644 0.198 7.170 212 HG12 ILE 27 1HG1 ILE 27 2.196 1.498 5.897 213 HG13 ILE 27 2HG1 ILE 27 3.245 2.238 7.093 214 HG21 ILE 27 1HG2 ILE 27 4.341 -0.528 4.818 215 HG22 ILE 27 2HG2 ILE 27 2.679 -0.995 5.181 216 HG23 ILE 27 3HG2 ILE 27 4.019 -1.847 5.949 217 HD11 ILE 27 1HD1 ILE 27 3.699 3.135 4.928 218 HD12 ILE 27 2HD1 ILE 27 3.974 1.527 4.257 219 HD13 ILE 27 3HD1 ILE 27 5.091 2.189 5.457 220 H ASP 28 H ASP 28 1.118 -2.334 7.835 221 HA ASP 28 HA ASP 28 2.880 -4.226 9.239 222 HB2 ASP 28 1HB ASP 28 0.433 -3.752 9.931 223 HB3 ASP 28 2HB ASP 28 -0.052 -4.630 8.498 224 H ARG 29 H ARG 29 0.707 -4.149 6.366 225 HA ARG 29 HA ARG 29 2.630 -5.783 4.822 226 HB2 ARG 29 1HB ARG 29 -0.349 -6.406 5.082 227 HB3 ARG 29 2HB ARG 29 0.682 -7.093 3.832 228 HG2 ARG 29 1HG ARG 29 2.017 -8.263 5.499 229 HG3 ARG 29 2HG ARG 29 1.112 -7.493 6.806 230 HD2 ARG 29 1HD ARG 29 0.028 -9.468 4.769 231 HD3 ARG 29 2HD ARG 29 0.299 -9.772 6.488 232 HE ARG 29 HE ARG 29 -1.892 -8.274 5.278 233 HH11 ARG 29 1HH1 ARG 29 -0.300 -9.190 8.273 234 HH12 ARG 29 2HH1 ARG 29 -1.660 -8.775 9.265 235 HH21 ARG 29 1HH2 ARG 29 -3.634 -7.665 6.597 236 HH22 ARG 29 2HH2 ARG 29 -3.548 -7.909 8.316 237 H ILE 30 H ILE 30 2.687 -5.334 2.636 238 HA ILE 30 HA ILE 30 0.791 -3.346 1.503 239 HB ILE 30 HB ILE 30 3.803 -3.527 0.914 240 HG12 ILE 30 1HG1 ILE 30 2.193 -1.299 2.237 241 HG13 ILE 30 2HG1 ILE 30 3.337 -2.362 3.041 242 HG21 ILE 30 1HG2 ILE 30 2.540 -3.010 -1.144 243 HG22 ILE 30 2HG2 ILE 30 3.459 -1.603 -0.615 244 HG23 ILE 30 3HG2 ILE 30 1.721 -1.677 -0.322 245 HD11 ILE 30 1HD1 ILE 30 4.304 -0.187 2.674 246 HD12 ILE 30 2HD1 ILE 30 4.005 -0.298 0.940 247 HD13 ILE 30 3HD1 ILE 30 5.162 -1.389 1.711 248 H GLN 31 H GLN 31 -0.470 -4.634 0.184 249 HA GLN 31 HA GLN 31 0.786 -6.699 -1.488 250 HB2 GLN 31 1HB GLN 31 -1.268 -7.279 -0.250 251 HB3 GLN 31 2HB GLN 31 -2.145 -5.995 -1.073 252 HG2 GLN 31 1HG GLN 31 -2.098 -7.151 -3.157 253 HG3 GLN 31 2HG GLN 31 -0.873 -8.290 -2.598 254 HE21 GLN 31 1HE2 GLN 31 -3.487 -9.812 -0.376 255 HE22 GLN 31 2HE2 GLN 31 -2.071 -8.886 -0.058 256 H VAL 32 H VAL 32 1.240 -6.395 -3.533 257 HA VAL 32 HA VAL 32 0.283 -4.021 -4.979 258 HB VAL 32 HB VAL 32 1.726 -4.841 -6.879 259 HG11 VAL 32 1HG1 VAL 32 3.895 -4.305 -5.818 260 HG12 VAL 32 2HG1 VAL 32 3.186 -4.544 -4.219 261 HG13 VAL 32 3HG1 VAL 32 2.619 -3.227 -5.247 262 HG21 VAL 32 1HG2 VAL 32 1.703 -7.282 -6.392 263 HG22 VAL 32 2HG2 VAL 32 2.691 -7.006 -4.958 264 HG23 VAL 32 3HG2 VAL 32 3.344 -6.658 -6.557 265 H THR 33 H THR 33 -1.664 -4.070 -5.873 266 HA THR 33 HA THR 33 -2.747 -6.580 -7.034 267 HB THR 33 HB THR 33 -5.044 -5.502 -6.584 268 HG1 THR 33 1HG THR 33 -4.418 -3.396 -6.153 269 HG21 THR 33 1HG2 THR 33 -4.248 -7.347 -5.169 270 HG22 THR 33 2HG2 THR 33 -5.132 -6.159 -4.208 271 HG23 THR 33 3HG2 THR 33 -3.369 -6.202 -4.151 272 HA PRO 34 HA PRO 34 -2.358 -3.716 -10.740 273 HB2 PRO 34 2HB PRO 34 -1.727 -6.375 -12.012 274 HB3 PRO 34 1HB PRO 34 -0.874 -4.822 -12.158 275 HG2 PRO 34 2HG PRO 34 0.201 -6.804 -10.753 276 HG3 PRO 34 1HG PRO 34 0.315 -5.124 -10.168 277 HD2 PRO 34 2HD PRO 34 -1.607 -7.290 -9.307 278 HD3 PRO 34 1HD PRO 34 -0.643 -6.183 -8.308 279 HA PRO 35 HA PRO 35 -6.414 -4.828 -12.287 280 HB2 PRO 35 2HB PRO 35 -6.472 -3.646 -14.729 281 HB3 PRO 35 1HB PRO 35 -6.341 -2.671 -13.251 282 HG2 PRO 35 2HG PRO 35 -4.190 -3.478 -15.173 283 HG3 PRO 35 1HG PRO 35 -4.468 -1.906 -14.389 284 HD2 PRO 35 2HD PRO 35 -2.631 -3.751 -13.475 285 HD3 PRO 35 1HD PRO 35 -3.407 -2.537 -12.444 286 H GLY 36 H GLY 36 -7.562 -5.841 -14.197 287 HA2 GLY 36 1HA GLY 36 -7.276 -6.968 -16.370 288 HA3 GLY 36 2HA GLY 36 -5.883 -7.796 -15.690 289 H ASN 37 H ASN 37 -6.224 -9.756 -14.797 290 HA ASN 37 HA ASN 37 -8.727 -11.032 -15.301 291 HB2 ASN 37 1HB ASN 37 -6.433 -12.065 -15.557 292 HB3 ASN 37 2HB ASN 37 -6.317 -12.136 -13.808 293 HD21 ASN 37 1HD2 ASN 37 -8.506 -14.886 -15.845 294 HD22 ASN 37 2HD2 ASN 37 -7.853 -13.492 -16.629 295 H GLY 38 H GLY 38 -7.318 -9.625 -12.430 296 HA2 GLY 38 1HA GLY 38 -9.472 -10.714 -10.686 297 HA3 GLY 38 2HA GLY 38 -7.895 -10.181 -10.127 298 H CYS 39 H CYS 39 -7.390 -7.923 -10.171 299 HA CYS 39 HA CYS 39 -9.536 -6.335 -9.191 300 HB2 CYS 39 2HB CYS 39 -6.685 -5.481 -9.850 301 HB3 CYS 39 1HB CYS 39 -7.817 -4.611 -8.816 302 HA PRO 40 HA PRO 40 -10.627 -4.316 -13.107 303 HB2 PRO 40 2HB PRO 40 -12.248 -2.331 -12.225 304 HB3 PRO 40 1HB PRO 40 -12.722 -4.036 -12.075 305 HG2 PRO 40 2HG PRO 40 -11.558 -2.223 -9.986 306 HG3 PRO 40 1HG PRO 40 -12.917 -3.362 -9.850 307 HD2 PRO 40 2HD PRO 40 -10.363 -3.951 -9.011 308 HD3 PRO 40 1HD PRO 40 -11.527 -5.189 -9.537 309 H LYS 41 H LYS 41 -8.617 -2.892 -10.732 310 HA LYS 41 HA LYS 41 -7.615 -0.824 -12.524 311 HB2 LYS 41 1HB LYS 41 -7.882 0.966 -10.747 312 HB3 LYS 41 2HB LYS 41 -9.394 0.424 -11.474 313 HG2 LYS 41 1HG LYS 41 -9.717 -1.099 -9.477 314 HG3 LYS 41 2HG LYS 41 -8.323 -0.323 -8.731 315 HD2 LYS 41 1HD LYS 41 -10.892 1.087 -9.555 316 HD3 LYS 41 2HD LYS 41 -10.495 0.583 -7.916 317 HE2 LYS 41 1HE LYS 41 -9.085 2.716 -9.555 318 HE3 LYS 41 2HE LYS 41 -10.082 2.953 -8.129 319 HZ1 LYS 41 1HZ LYS 41 -7.467 1.560 -8.193 320 HZ2 LYS 41 2HZ LYS 41 -8.440 1.736 -6.826 321 HZ3 LYS 41 3HZ LYS 41 -7.761 3.100 -7.569 322 H THR 42 H THR 42 -5.580 0.160 -11.723 323 HA THR 42 HA THR 42 -3.912 -1.736 -10.315 324 HB THR 42 HB THR 42 -3.103 1.094 -11.137 325 HG1 THR 42 1HG THR 42 -3.894 -0.000 -12.969 326 HG21 THR 42 1HG2 THR 42 -1.453 -1.443 -10.765 327 HG22 THR 42 2HG2 THR 42 -1.492 -0.075 -9.650 328 HG23 THR 42 3HG2 THR 42 -0.829 0.129 -11.271 329 H GLU 43 H GLU 43 -3.827 -1.811 -8.142 330 HA GLU 43 HA GLU 43 -3.982 0.663 -6.536 331 HB2 GLU 43 1HB GLU 43 -5.361 -1.961 -5.807 332 HB3 GLU 43 2HB GLU 43 -5.398 -0.467 -4.875 333 HG2 GLU 43 1HG GLU 43 -6.582 0.640 -6.773 334 HG3 GLU 43 2HG GLU 43 -6.622 -0.903 -7.616 335 H VAL 44 H VAL 44 -2.702 0.679 -4.699 336 HA VAL 44 HA VAL 44 -1.084 -1.721 -4.076 337 HB VAL 44 HB VAL 44 -0.305 1.206 -3.593 338 HG11 VAL 44 1HG1 VAL 44 0.604 -0.220 -1.851 339 HG12 VAL 44 2HG1 VAL 44 1.912 0.236 -2.941 340 HG13 VAL 44 3HG1 VAL 44 1.205 -1.373 -3.045 341 HG21 VAL 44 1HG2 VAL 44 0.808 -0.761 -5.631 342 HG22 VAL 44 2HG2 VAL 44 1.449 0.849 -5.311 343 HG23 VAL 44 3HG2 VAL 44 -0.168 0.667 -5.987 344 H VAL 45 H VAL 45 -1.954 -2.626 -2.346 345 HA VAL 45 HA VAL 45 -3.739 -1.141 -0.558 346 HB VAL 45 HB VAL 45 -3.248 -4.166 -0.647 347 HG11 VAL 45 1HG1 VAL 45 -5.564 -2.577 0.504 348 HG12 VAL 45 2HG1 VAL 45 -4.288 -3.371 1.431 349 HG13 VAL 45 3HG1 VAL 45 -5.423 -4.337 0.487 350 HG21 VAL 45 1HG2 VAL 45 -4.061 -3.535 -2.864 351 HG22 VAL 45 2HG2 VAL 45 -5.379 -2.603 -2.159 352 HG23 VAL 45 3HG2 VAL 45 -5.348 -4.358 -1.984 353 H ILE 46 H ILE 46 -3.230 -0.794 1.569 354 HA ILE 46 HA ILE 46 -0.769 -1.955 2.738 355 HB ILE 46 HB ILE 46 -1.715 0.941 3.089 356 HG12 ILE 46 1HG1 ILE 46 0.737 -0.103 1.613 357 HG13 ILE 46 2HG1 ILE 46 -0.685 0.599 0.858 358 HG21 ILE 46 1HG2 ILE 46 0.743 -0.440 4.231 359 HG22 ILE 46 2HG2 ILE 46 -0.682 0.056 5.147 360 HG23 ILE 46 3HG2 ILE 46 0.360 1.273 4.407 361 HD11 ILE 46 1HD1 ILE 46 1.291 2.029 2.631 362 HD12 ILE 46 2HD1 ILE 46 -0.176 2.746 1.954 363 HD13 ILE 46 3HD1 ILE 46 1.102 2.181 0.888 364 H TRP 47 H TRP 47 -1.730 -3.387 4.166 365 HA TRP 47 HA TRP 47 -3.850 -2.539 5.993 366 HB2 TRP 47 2HB TRP 47 -2.065 -5.029 5.949 367 HB3 TRP 47 1HB TRP 47 -3.305 -4.739 7.169 368 HD1 TRP 47 1HD TRP 47 -5.873 -4.978 6.396 369 HE1 TRP 47 1HE TRP 47 -6.963 -6.095 4.351 370 HE3 TRP 47 3HE TRP 47 -1.720 -5.552 3.485 371 HZ2 TRP 47 2HZ TRP 47 -6.167 -7.129 1.850 372 HZ3 TRP 47 3HZ TRP 47 -1.962 -6.620 1.294 373 HH2 TRP 47 2HH TRP 47 -4.136 -7.394 0.479 374 H THR 48 H THR 48 -3.438 -1.307 7.718 375 HA THR 48 HA THR 48 -0.725 -1.043 8.813 376 HB THR 48 HB THR 48 -1.779 0.749 10.253 377 HG1 THR 48 1HG THR 48 -4.070 0.606 8.618 378 HG21 THR 48 1HG2 THR 48 -2.311 1.091 7.274 379 HG22 THR 48 2HG2 THR 48 -0.758 1.363 8.071 380 HG23 THR 48 3HG2 THR 48 -2.139 2.392 8.456 381 H LYS 49 H LYS 49 -0.615 -0.992 11.266 382 HA LYS 49 HA LYS 49 -1.407 -3.522 12.350 383 HB2 LYS 49 1HB LYS 49 -0.004 -1.147 13.667 384 HB3 LYS 49 2HB LYS 49 -0.183 -2.743 14.398 385 HG2 LYS 49 1HG LYS 49 1.103 -3.724 12.498 386 HG3 LYS 49 2HG LYS 49 1.355 -2.093 11.866 387 HD2 LYS 49 1HD LYS 49 2.641 -1.483 13.860 388 HD3 LYS 49 2HD LYS 49 2.315 -3.061 14.588 389 HE2 LYS 49 1HE LYS 49 3.880 -2.599 12.024 390 HE3 LYS 49 2HE LYS 49 4.580 -2.938 13.604 391 HZ1 LYS 49 1HZ LYS 49 2.811 -4.764 12.064 392 HZ2 LYS 49 2HZ LYS 49 3.454 -5.084 13.592 393 HZ3 LYS 49 3HZ LYS 49 4.483 -4.929 12.262 394 H MET 50 H MET 50 -2.875 -0.468 12.244 395 HA MET 50 HA MET 50 -4.730 -0.969 14.469 396 HB2 MET 50 1HB MET 50 -4.419 1.414 12.582 397 HB3 MET 50 2HB MET 50 -5.612 1.316 13.870 398 HG2 MET 50 1HG MET 50 -3.814 1.212 15.539 399 HG3 MET 50 2HG MET 50 -2.616 1.291 14.244 400 HE1 MET 50 1HE MET 50 -2.486 4.849 16.043 401 HE2 MET 50 2HE MET 50 -1.557 3.400 15.669 402 HE3 MET 50 3HE MET 50 -2.884 3.320 16.831 403 H LYS 51 H LYS 51 -4.496 -2.267 11.571 404 HA LYS 51 HA LYS 51 -5.868 -3.585 10.353 405 HB2 LYS 51 1HB LYS 51 -8.200 -2.550 12.021 406 HB3 LYS 51 2HB LYS 51 -8.239 -3.947 10.953 407 HG2 LYS 51 1HG LYS 51 -6.669 -5.143 12.424 408 HG3 LYS 51 2HG LYS 51 -6.550 -3.719 13.460 409 HD2 LYS 51 1HD LYS 51 -8.067 -5.100 14.617 410 HD3 LYS 51 2HD LYS 51 -9.124 -3.964 13.780 411 HE2 LYS 51 1HE LYS 51 -8.482 -6.781 12.827 412 HE3 LYS 51 2HE LYS 51 -9.931 -6.324 13.709 413 HZ1 LYS 51 1HZ LYS 51 -10.563 -4.901 11.866 414 HZ2 LYS 51 2HZ LYS 51 -10.359 -6.494 11.355 415 HZ3 LYS 51 3HZ LYS 51 -9.179 -5.340 11.007 416 H LYS 52 H LYS 52 -5.866 -0.314 10.125 417 HA LYS 52 HA LYS 52 -8.079 0.179 8.371 418 HB2 LYS 52 1HB LYS 52 -5.561 1.785 8.964 419 HB3 LYS 52 2HB LYS 52 -6.663 2.274 7.684 420 HG2 LYS 52 1HG LYS 52 -7.197 3.572 9.606 421 HG3 LYS 52 2HG LYS 52 -8.501 2.404 9.394 422 HD2 LYS 52 1HD LYS 52 -7.591 1.017 11.198 423 HD3 LYS 52 2HD LYS 52 -6.201 2.094 11.357 424 HE2 LYS 52 1HE LYS 52 -9.093 2.825 11.922 425 HE3 LYS 52 2HE LYS 52 -7.841 2.523 13.127 426 HZ1 LYS 52 1HZ LYS 52 -6.611 4.423 12.214 427 HZ2 LYS 52 2HZ LYS 52 -8.122 4.868 12.818 428 HZ3 LYS 52 3HZ LYS 52 -7.889 4.742 11.151 429 H VAL 53 H VAL 53 -8.294 -0.405 6.361 430 HA VAL 53 HA VAL 53 -6.075 -1.350 4.704 431 HB VAL 53 HB VAL 53 -9.068 -1.225 4.049 432 HG11 VAL 53 1HG1 VAL 53 -8.561 -2.912 2.327 433 HG12 VAL 53 2HG1 VAL 53 -6.852 -2.858 2.762 434 HG13 VAL 53 3HG1 VAL 53 -7.629 -1.436 2.061 435 HG21 VAL 53 1HG2 VAL 53 -8.693 -2.608 6.065 436 HG22 VAL 53 2HG2 VAL 53 -7.527 -3.588 5.179 437 HG23 VAL 53 3HG2 VAL 53 -9.224 -3.590 4.698 438 H ILE 54 H ILE 54 -4.959 0.372 3.961 439 HA ILE 54 HA ILE 54 -6.303 2.776 2.870 440 HB ILE 54 HB ILE 54 -3.391 2.356 3.732 441 HG12 ILE 54 1HG1 ILE 54 -5.611 3.968 5.059 442 HG13 ILE 54 2HG1 ILE 54 -4.996 2.428 5.637 443 HG21 ILE 54 1HG2 ILE 54 -3.061 4.776 3.381 444 HG22 ILE 54 2HG2 ILE 54 -4.713 4.928 2.785 445 HG23 ILE 54 3HG2 ILE 54 -3.532 3.989 1.871 446 HD11 ILE 54 1HD1 ILE 54 -2.801 3.500 6.028 447 HD12 ILE 54 2HD1 ILE 54 -4.118 4.196 6.968 448 HD13 ILE 54 3HD1 ILE 54 -3.510 5.048 5.551 449 H CYS 55 H CYS 55 -5.941 3.313 0.700 450 HA CYS 55 HA CYS 55 -4.514 1.322 -0.978 451 HB2 CYS 55 2HB CYS 55 -7.188 2.597 -1.687 452 HB3 CYS 55 1HB CYS 55 -6.388 1.227 -2.472 453 H VAL 56 H VAL 56 -3.215 2.250 -2.490 454 HA VAL 56 HA VAL 56 -3.291 5.175 -2.898 455 HB VAL 56 HB VAL 56 -0.786 5.276 -2.416 456 HG11 VAL 56 1HG1 VAL 56 -2.597 4.568 -0.073 457 HG12 VAL 56 2HG1 VAL 56 -2.321 6.173 -0.751 458 HG13 VAL 56 3HG1 VAL 56 -1.013 5.331 0.078 459 HG21 VAL 56 1HG2 VAL 56 -1.216 2.585 -1.063 460 HG22 VAL 56 2HG2 VAL 56 0.268 3.539 -1.070 461 HG23 VAL 56 3HG2 VAL 56 -0.334 2.830 -2.570 462 H ASN 57 H ASN 57 -1.798 5.899 -4.601 463 HA ASN 57 HA ASN 57 -1.858 4.114 -6.909 464 HB2 ASN 57 1HB ASN 57 -1.299 6.145 -8.216 465 HB3 ASN 57 2HB ASN 57 -2.667 6.436 -7.161 466 HD21 ASN 57 1HD2 ASN 57 -0.176 9.273 -7.043 467 HD22 ASN 57 2HD2 ASN 57 -0.874 8.396 -8.359 468 HA PRO 58 HA PRO 58 2.476 2.975 -6.579 469 HB2 PRO 58 2HB PRO 58 3.054 2.234 -9.154 470 HB3 PRO 58 1HB PRO 58 1.952 1.296 -8.123 471 HG2 PRO 58 2HG PRO 58 1.258 3.354 -10.207 472 HG3 PRO 58 1HG PRO 58 0.594 1.719 -9.984 473 HD2 PRO 58 2HD PRO 58 -0.712 3.883 -9.054 474 HD3 PRO 58 1HD PRO 58 -0.720 2.348 -8.156 475 H ARG 59 H ARG 59 1.515 5.771 -8.269 476 HA ARG 59 HA ARG 59 4.103 6.548 -9.328 477 HB2 ARG 59 1HB ARG 59 1.593 7.179 -10.121 478 HB3 ARG 59 2HB ARG 59 1.843 8.543 -9.051 479 HG2 ARG 59 1HG ARG 59 3.703 7.864 -11.360 480 HG3 ARG 59 2HG ARG 59 2.332 8.955 -11.508 481 HD2 ARG 59 1HD ARG 59 3.341 10.495 -9.897 482 HD3 ARG 59 2HD ARG 59 4.687 9.384 -9.636 483 HE ARG 59 HE ARG 59 4.789 9.846 -12.302 484 HH11 ARG 59 1HH1 ARG 59 4.725 12.036 -9.547 485 HH12 ARG 59 2HH1 ARG 59 5.641 13.276 -10.346 486 HH21 ARG 59 1HH2 ARG 59 6.005 11.456 -13.327 487 HH22 ARG 59 2HH2 ARG 59 6.371 12.942 -12.504 488 H ALA 60 H ALA 60 2.413 6.896 -6.325 489 HA ALA 60 HA ALA 60 3.364 9.300 -5.290 490 HB1 ALA 60 1HB ALA 60 2.815 8.349 -3.069 491 HB2 ALA 60 2HB ALA 60 2.627 6.757 -3.807 492 HB3 ALA 60 3HB ALA 60 1.539 8.069 -4.254 493 H LYS 61 H LYS 61 5.297 9.971 -4.707 494 HA LYS 61 HA LYS 61 7.667 8.562 -5.279 495 HB2 LYS 61 1HB LYS 61 7.417 11.137 -3.664 496 HB3 LYS 61 2HB LYS 61 8.842 10.593 -4.532 497 HG2 LYS 61 1HG LYS 61 6.239 11.349 -5.889 498 HG3 LYS 61 2HG LYS 61 7.559 12.481 -5.604 499 HD2 LYS 61 1HD LYS 61 9.037 10.861 -6.975 500 HD3 LYS 61 2HD LYS 61 7.535 10.061 -7.447 501 HE2 LYS 61 1HE LYS 61 8.177 11.646 -9.166 502 HE3 LYS 61 2HE LYS 61 6.702 12.208 -8.380 503 HZ1 LYS 61 1HZ LYS 61 8.157 13.674 -7.000 504 HZ2 LYS 61 2HZ LYS 61 8.147 14.054 -8.644 505 HZ3 LYS 61 3HZ LYS 61 9.463 13.231 -7.981 506 H TRP 62 H TRP 62 6.296 9.604 -2.148 507 HA TRP 62 HA TRP 62 8.240 8.615 -0.393 508 HB2 TRP 62 2HB TRP 62 6.471 8.672 1.358 509 HB3 TRP 62 1HB TRP 62 6.385 10.106 0.342 510 HD1 TRP 62 1HD TRP 62 4.211 10.291 -1.337 511 HE1 TRP 62 1HE TRP 62 1.893 9.175 -1.241 512 HE3 TRP 62 3HE TRP 62 5.182 6.594 2.062 513 HZ2 TRP 62 2HZ TRP 62 0.652 7.054 0.059 514 HZ3 TRP 62 3HZ TRP 62 3.367 5.045 2.676 515 HH2 TRP 62 2HH TRP 62 1.134 5.271 1.691 516 H LEU 63 H LEU 63 5.522 7.067 -1.936 517 HA LEU 63 HA LEU 63 5.555 4.588 -0.553 518 HB2 LEU 63 1HB LEU 63 3.541 5.496 -1.604 519 HB3 LEU 63 2HB LEU 63 4.317 5.450 -3.180 520 HG LEU 63 HG LEU 63 4.451 2.921 -2.942 521 HD11 LEU 63 1HD1 LEU 63 4.243 2.612 -0.589 522 HD12 LEU 63 2HD1 LEU 63 2.857 1.852 -1.363 523 HD13 LEU 63 3HD1 LEU 63 2.670 3.410 -0.555 524 HD21 LEU 63 1HD2 LEU 63 2.088 2.574 -3.570 525 HD22 LEU 63 2HD2 LEU 63 2.834 3.924 -4.406 526 HD23 LEU 63 3HD2 LEU 63 1.726 4.222 -3.069 527 H GLN 64 H GLN 64 6.930 5.760 -3.633 528 HA GLN 64 HA GLN 64 7.611 3.325 -4.827 529 HB2 GLN 64 1HB GLN 64 7.607 5.663 -5.864 530 HB3 GLN 64 2HB GLN 64 9.166 5.945 -5.111 531 HG2 GLN 64 1HG GLN 64 8.645 3.697 -7.076 532 HG3 GLN 64 2HG GLN 64 9.182 5.292 -7.571 533 HE21 GLN 64 1HE2 GLN 64 12.031 2.773 -7.119 534 HE22 GLN 64 2HE2 GLN 64 10.461 2.589 -7.810 535 H ARG 65 H ARG 65 9.420 5.396 -2.602 536 HA ARG 65 HA ARG 65 11.834 3.959 -2.459 537 HB2 ARG 65 1HB ARG 65 10.489 5.695 -0.351 538 HB3 ARG 65 2HB ARG 65 12.147 5.112 -0.239 539 HG2 ARG 65 1HG ARG 65 12.690 6.356 -2.327 540 HG3 ARG 65 2HG ARG 65 11.047 6.993 -2.348 541 HD2 ARG 65 1HD ARG 65 13.057 7.448 -0.117 542 HD3 ARG 65 2HD ARG 65 12.706 8.590 -1.414 543 HE ARG 65 HE ARG 65 10.447 8.800 -0.536 544 HH11 ARG 65 1HH1 ARG 65 12.822 7.420 1.678 545 HH12 ARG 65 2HH1 ARG 65 11.921 7.857 3.096 546 HH21 ARG 65 1HH2 ARG 65 9.305 9.381 1.304 547 HH22 ARG 65 2HH2 ARG 65 9.913 8.978 2.878 548 H LEU 66 H LEU 66 8.755 3.547 -0.787 549 HA LEU 66 HA LEU 66 9.692 1.596 1.120 550 HB2 LEU 66 1HB LEU 66 6.817 2.268 0.361 551 HB3 LEU 66 2HB LEU 66 7.340 1.389 1.790 552 HG LEU 66 HG LEU 66 7.759 4.343 1.213 553 HD11 LEU 66 1HD1 LEU 66 6.164 2.931 3.357 554 HD12 LEU 66 2HD1 LEU 66 5.520 3.816 1.976 555 HD13 LEU 66 3HD1 LEU 66 6.395 4.675 3.242 556 HD21 LEU 66 1HD2 LEU 66 9.789 3.625 2.286 557 HD22 LEU 66 2HD2 LEU 66 8.889 2.717 3.504 558 HD23 LEU 66 3HD2 LEU 66 8.808 4.478 3.474 559 H LEU 67 H LEU 67 7.976 1.476 -1.976 560 HA LEU 67 HA LEU 67 7.333 -1.295 -1.985 561 HB2 LEU 67 1HB LEU 67 7.742 0.598 -4.339 562 HB3 LEU 67 2HB LEU 67 7.064 -1.015 -4.468 563 HG LEU 67 HG LEU 67 5.789 1.342 -3.030 564 HD11 LEU 67 1HD1 LEU 67 4.094 1.247 -4.808 565 HD12 LEU 67 2HD1 LEU 67 4.977 -0.059 -5.600 566 HD13 LEU 67 3HD1 LEU 67 5.700 1.545 -5.472 567 HD21 LEU 67 1HD2 LEU 67 5.212 -0.699 -1.837 568 HD22 LEU 67 2HD2 LEU 67 4.748 -1.496 -3.341 569 HD23 LEU 67 3HD2 LEU 67 3.812 -0.126 -2.740 570 H ARG 68 H ARG 68 10.098 0.578 -3.057 571 HA ARG 68 HA ARG 68 11.574 -1.612 -4.165 572 HB2 ARG 68 1HB ARG 68 11.918 0.781 -4.804 573 HB3 ARG 68 2HB ARG 68 12.563 1.116 -3.207 574 HG2 ARG 68 1HG ARG 68 13.873 -0.983 -4.944 575 HG3 ARG 68 2HG ARG 68 14.195 0.719 -5.244 576 HD2 ARG 68 1HD ARG 68 15.033 0.956 -2.919 577 HD3 ARG 68 2HD ARG 68 14.726 -0.759 -2.640 578 HE ARG 68 HE ARG 68 16.398 -1.205 -4.429 579 HH11 ARG 68 1HH1 ARG 68 16.553 1.833 -2.667 580 HH12 ARG 68 2HH1 ARG 68 18.251 2.046 -2.949 581 HH21 ARG 68 1HH2 ARG 68 18.626 -0.923 -4.773 582 HH22 ARG 68 2HH2 ARG 68 19.424 0.486 -4.145 583 H HIS 69 H HIS 69 11.549 0.056 -0.994 584 HA HIS 69 HA HIS 69 13.905 -1.129 0.050 585 HB2 HIS 69 1HB HIS 69 12.869 0.983 0.918 586 HB3 HIS 69 2HB HIS 69 11.561 0.044 1.615 587 HD1 HIS 69 HD1 HIS 69 12.132 -1.389 3.727 588 HD2 HIS 69 HD2 HIS 69 15.254 1.015 2.406 589 HE1 HIS 69 HE1 HIS 69 13.769 -1.312 5.621 590 HE2 HIS 69 HE2 HIS 69 15.516 0.331 4.886 591 H VAL 70 H VAL 70 10.462 -1.974 0.545 592 HA VAL 70 HA VAL 70 10.966 -4.139 2.354 593 HB VAL 70 HB VAL 70 8.594 -4.704 2.156 594 HG11 VAL 70 1HG1 VAL 70 7.576 -2.571 2.865 595 HG12 VAL 70 2HG1 VAL 70 8.974 -1.687 2.247 596 HG13 VAL 70 3HG1 VAL 70 9.163 -2.808 3.598 597 HG21 VAL 70 1HG2 VAL 70 8.234 -4.483 -0.254 598 HG22 VAL 70 2HG2 VAL 70 8.444 -2.736 -0.165 599 HG23 VAL 70 3HG2 VAL 70 7.057 -3.498 0.615 600 H GLN 71 H GLN 71 11.021 -3.847 -1.075 601 HA GLN 71 HA GLN 71 10.715 -6.706 -1.626 602 HB2 GLN 71 1HB GLN 71 9.696 -4.886 -3.027 603 HB3 GLN 71 2HB GLN 71 11.307 -4.385 -3.517 604 HG2 GLN 71 1HG GLN 71 11.640 -6.638 -4.548 605 HG3 GLN 71 2HG GLN 71 9.984 -7.053 -4.123 606 HE21 GLN 71 1HE2 GLN 71 8.963 -4.291 -6.569 607 HE22 GLN 71 2HE2 GLN 71 8.935 -4.321 -4.852 608 H SER 72 H SER 72 13.209 -4.278 -1.345 609 HA SER 72 HA SER 72 15.305 -5.862 -2.617 610 HB2 SER 72 1HB SER 72 15.273 -3.424 -3.012 611 HB3 SER 72 2HB SER 72 15.414 -3.110 -1.281 612 HG SER 72 HG SER 72 17.335 -3.810 -3.132 613 H LYS 73 H LYS 73 15.247 -4.091 0.499 614 HA LYS 73 HA LYS 73 15.665 -6.260 2.225 615 HB2 LYS 73 1HB LYS 73 18.084 -6.014 2.771 616 HB3 LYS 73 2HB LYS 73 17.853 -6.550 1.112 617 HG2 LYS 73 1HG LYS 73 18.321 -4.278 0.284 618 HG3 LYS 73 2HG LYS 73 18.483 -3.685 1.937 619 HD2 LYS 73 1HD LYS 73 20.287 -5.754 0.615 620 HD3 LYS 73 2HD LYS 73 20.694 -4.056 0.871 621 HE2 LYS 73 1HE LYS 73 20.175 -6.114 3.043 622 HE3 LYS 73 2HE LYS 73 21.748 -5.471 2.576 623 HZ1 LYS 73 1HZ LYS 73 20.877 -4.415 4.566 624 HZ2 LYS 73 2HZ LYS 73 19.522 -3.871 3.722 625 HZ3 LYS 73 3HZ LYS 73 21.055 -3.296 3.314 626 H SER 74 H SER 74 16.140 -5.614 4.400 627 HA SER 74 HA SER 74 15.934 -2.719 5.003 628 HB2 SER 74 1HB SER 74 15.158 -3.513 7.272 629 HB3 SER 74 2HB SER 74 14.085 -4.009 5.960 630 HG SER 74 HG SER 74 14.373 -5.834 7.097 631 H LEU 75 H LEU 75 17.032 -2.452 7.410 632 HA LEU 75 HA LEU 75 19.594 -3.870 7.618 633 HB2 LEU 75 1HB LEU 75 20.788 -1.590 7.828 634 HB3 LEU 75 2HB LEU 75 20.324 -2.113 6.225 635 HG LEU 75 HG LEU 75 18.268 -0.569 6.438 636 HD11 LEU 75 1HD1 LEU 75 18.267 -0.192 8.850 637 HD12 LEU 75 2HD1 LEU 75 18.414 1.330 7.975 638 HD13 LEU 75 3HD1 LEU 75 19.834 0.614 8.744 639 HD21 LEU 75 1HD2 LEU 75 19.516 1.423 5.747 640 HD22 LEU 75 2HD2 LEU 75 20.189 -0.032 5.015 641 HD23 LEU 75 3HD2 LEU 75 21.009 0.727 6.383 642 H SER 76 H SER 76 20.812 -2.789 9.661 643 HA SER 76 HA SER 76 19.067 -3.071 11.927 644 HB2 SER 76 1HB SER 76 21.418 -3.788 12.050 645 HB3 SER 76 2HB SER 76 21.959 -2.124 11.762 646 HG SER 76 HG SER 76 20.615 -3.214 14.013 647 H SER 77 H SER 77 17.536 -1.517 11.925 648 HA SER 77 HA SER 77 18.030 1.324 11.658 649 HB2 SER 77 1HB SER 77 15.941 0.218 10.825 650 HB3 SER 77 2HB SER 77 15.508 -0.194 12.485 651 HG SER 77 HG SER 77 15.814 2.407 11.391 652 H THR 78 H THR 78 16.821 2.705 13.504 653 HA THR 78 HA THR 78 18.266 2.440 15.930 654 HB THR 78 HB THR 78 16.708 4.264 16.773 655 HG1 THR 78 1HG THR 78 15.576 4.045 14.156 656 HG21 THR 78 1HG2 THR 78 17.480 6.012 15.216 657 HG22 THR 78 2HG2 THR 78 17.932 4.780 14.038 658 HG23 THR 78 3HG2 THR 78 18.782 4.879 15.583 659 HA PRO 79 HA PRO 79 16.048 -0.558 18.493 660 HB2 PRO 79 2HB PRO 79 15.654 1.163 20.786 661 HB3 PRO 79 1HB PRO 79 16.947 -0.014 20.532 662 HG2 PRO 79 2HG PRO 79 16.978 2.927 20.052 663 HG3 PRO 79 1HG PRO 79 18.297 1.847 20.561 664 HD2 PRO 79 2HD PRO 79 18.234 2.777 18.069 665 HD3 PRO 79 1HD PRO 79 18.699 1.088 18.370 666 H GLN 80 H GLN 80 14.061 -1.045 17.882 667 HA GLN 80 HA GLN 80 11.833 0.909 17.999 668 HB2 GLN 80 1HB GLN 80 11.105 0.095 15.752 669 HB3 GLN 80 2HB GLN 80 12.715 0.790 15.689 670 HG2 GLN 80 1HG GLN 80 13.713 -1.466 15.663 671 HG3 GLN 80 2HG GLN 80 12.110 -2.189 15.738 672 HE21 GLN 80 1HE2 GLN 80 13.488 -1.979 12.209 673 HE22 GLN 80 2HE2 GLN 80 14.221 -2.449 13.702 674 H ALA 81 H ALA 81 9.714 -0.503 17.390 675 HA ALA 81 HA ALA 81 9.225 -2.267 19.523 676 HB1 ALA 81 1HB ALA 81 7.610 -1.903 16.974 677 HB2 ALA 81 2HB ALA 81 7.448 -0.947 18.447 678 HB3 ALA 81 3HB ALA 81 7.036 -2.662 18.461 679 HA PRO 82 HA PRO 82 11.001 -6.193 18.356 680 HB2 PRO 82 2HB PRO 82 8.378 -7.399 19.289 681 HB3 PRO 82 1HB PRO 82 10.044 -7.842 19.729 682 HG2 PRO 82 2HG PRO 82 8.577 -6.437 21.424 683 HG3 PRO 82 1HG PRO 82 10.292 -6.024 21.183 684 HD2 PRO 82 2HD PRO 82 7.845 -4.622 20.130 685 HD3 PRO 82 1HD PRO 82 9.380 -3.944 20.719 686 H VAL 83 H VAL 83 11.086 -7.628 16.669 687 HA VAL 83 HA VAL 83 9.190 -7.398 14.479 688 HB VAL 83 HB VAL 83 11.650 -9.209 14.770 689 HG11 VAL 83 1HG1 VAL 83 10.005 -8.623 12.276 690 HG12 VAL 83 2HG1 VAL 83 10.047 -10.155 13.149 691 HG13 VAL 83 3HG1 VAL 83 11.495 -9.568 12.330 692 HG21 VAL 83 1HG2 VAL 83 11.329 -6.586 13.261 693 HG22 VAL 83 2HG2 VAL 83 12.770 -7.606 13.250 694 HG23 VAL 83 3HG2 VAL 83 12.259 -6.823 14.742 695 H SER 84 H SER 84 7.338 -8.559 14.475 696 HA SER 84 HA SER 84 6.647 -10.563 16.319 697 HB2 SER 84 1HB SER 84 4.619 -10.880 14.896 698 HB3 SER 84 2HB SER 84 4.953 -9.175 15.205 699 HG SER 84 HG SER 84 5.224 -10.650 12.832 700 H LYS 85 H LYS 85 6.394 -12.817 16.087 701 HA LYS 85 HA LYS 85 8.563 -14.069 14.748 702 HB2 LYS 85 1HB LYS 85 7.744 -14.868 16.919 703 HB3 LYS 85 2HB LYS 85 6.200 -15.321 16.214 704 HG2 LYS 85 1HG LYS 85 7.379 -16.985 14.776 705 HG3 LYS 85 2HG LYS 85 8.899 -16.572 15.566 706 HD2 LYS 85 1HD LYS 85 6.473 -17.673 17.035 707 HD3 LYS 85 2HD LYS 85 7.770 -18.686 16.408 708 HE2 LYS 85 1HE LYS 85 9.380 -17.457 17.881 709 HE3 LYS 85 2HE LYS 85 8.028 -16.555 18.563 710 HZ1 LYS 85 1HZ LYS 85 8.597 -18.387 19.980 711 HZ2 LYS 85 2HZ LYS 85 8.426 -19.484 18.714 712 HZ3 LYS 85 3HZ LYS 85 7.075 -18.667 19.304 713 H ARG 86 H ARG 86 8.267 -13.621 12.591 714 HA ARG 86 HA ARG 86 6.127 -15.040 11.125 715 HB2 ARG 86 1HB ARG 86 6.767 -13.672 9.192 716 HB3 ARG 86 2HB ARG 86 6.429 -12.627 10.565 717 HG2 ARG 86 1HG ARG 86 8.783 -12.197 10.919 718 HG3 ARG 86 2HG ARG 86 9.241 -13.427 9.736 719 HD2 ARG 86 1HD ARG 86 7.796 -10.817 9.159 720 HD3 ARG 86 2HD ARG 86 9.474 -11.207 8.759 721 HE ARG 86 HE ARG 86 7.528 -13.021 7.624 722 HH11 ARG 86 1HH1 ARG 86 9.307 -10.028 7.030 723 HH12 ARG 86 2HH1 ARG 86 9.096 -10.121 5.314 724 HH21 ARG 86 1HH2 ARG 86 7.207 -13.091 5.407 725 HH22 ARG 86 2HH2 ARG 86 7.897 -11.869 4.390 726 H ARG 87 H ARG 87 6.786 -16.299 9.261 727 HA ARG 87 HA ARG 87 9.059 -17.966 9.646 728 HB2 ARG 87 1HB ARG 87 6.941 -18.668 8.486 729 HB3 ARG 87 2HB ARG 87 7.360 -17.627 7.130 730 HG2 ARG 87 1HG ARG 87 9.357 -18.992 6.667 731 HG3 ARG 87 2HG ARG 87 9.016 -19.999 8.077 732 HD2 ARG 87 1HD ARG 87 7.296 -19.752 5.584 733 HD3 ARG 87 2HD ARG 87 8.286 -21.137 6.048 734 HE ARG 87 HE ARG 87 6.343 -20.475 8.048 735 HH11 ARG 87 1HH1 ARG 87 6.676 -22.184 4.973 736 HH12 ARG 87 2HH1 ARG 87 5.315 -23.218 5.283 737 HH21 ARG 87 1HH2 ARG 87 4.553 -21.788 8.387 738 HH22 ARG 87 2HH2 ARG 87 4.114 -22.991 7.215 739 H ALA 88 H ALA 88 11.110 -17.278 9.305 740 HA ALA 88 HA ALA 88 11.781 -15.113 7.503 741 HB1 ALA 88 1HB ALA 88 14.093 -15.521 8.218 742 HB2 ALA 88 2HB ALA 88 13.601 -16.998 9.046 743 HB3 ALA 88 3HB ALA 88 13.016 -15.433 9.611 744 H ALA 89 H ALA 89 13.070 -18.457 7.695 745 HA ALA 89 HA ALA 89 12.239 -19.206 5.069 746 HB1 ALA 89 1HB ALA 89 15.223 -18.704 5.443 747 HB2 ALA 89 2HB ALA 89 14.143 -17.782 4.398 748 HB3 ALA 89 3HB ALA 89 14.477 -19.478 4.040 Start of MODEL 15 1 H1 MET 1 1H MET 1 8.039 -3.933 6.822 2 H2 MET 1 2H MET 1 7.314 -4.823 8.064 3 H3 MET 1 3H MET 1 7.036 -3.161 7.949 4 HA MET 1 HA MET 1 5.164 -4.456 7.196 5 HB2 MET 1 1HB MET 1 4.839 -3.295 5.019 6 HB3 MET 1 2HB MET 1 5.479 -2.226 6.258 7 HG2 MET 1 1HG MET 1 7.152 -3.506 4.078 8 HG3 MET 1 2HG MET 1 6.502 -1.870 4.013 9 HE1 MET 1 1HE MET 1 8.507 -0.090 6.900 10 HE2 MET 1 2HE MET 1 6.903 -0.818 7.011 11 HE3 MET 1 3HE MET 1 7.348 0.132 5.590 12 H ILE 2 H ILE 2 4.324 -6.120 5.981 13 HA ILE 2 HA ILE 2 6.212 -7.906 4.581 14 HB ILE 2 HB ILE 2 3.309 -8.439 5.424 15 HG12 ILE 2 1HG1 ILE 2 4.470 -10.190 6.988 16 HG13 ILE 2 2HG1 ILE 2 5.952 -9.292 6.696 17 HG21 ILE 2 1HG2 ILE 2 5.327 -10.352 4.180 18 HG22 ILE 2 2HG2 ILE 2 3.879 -9.712 3.403 19 HG23 ILE 2 3HG2 ILE 2 3.724 -10.803 4.778 20 HD11 ILE 2 1HD1 ILE 2 4.917 -8.703 8.799 21 HD12 ILE 2 2HD1 ILE 2 3.445 -8.204 7.964 22 HD13 ILE 2 3HD1 ILE 2 4.953 -7.319 7.708 23 H LEU 3 H LEU 3 6.348 -7.615 2.437 24 HA LEU 3 HA LEU 3 4.311 -6.247 0.886 25 HB2 LEU 3 1HB LEU 3 6.683 -5.761 0.490 26 HB3 LEU 3 2HB LEU 3 6.994 -7.445 0.122 27 HG LEU 3 HG LEU 3 5.516 -7.205 -1.931 28 HD11 LEU 3 1HD1 LEU 3 5.074 -4.885 -2.764 29 HD12 LEU 3 2HD1 LEU 3 5.524 -4.270 -1.170 30 HD13 LEU 3 3HD1 LEU 3 4.129 -5.334 -1.349 31 HD21 LEU 3 1HD2 LEU 3 7.189 -6.012 -3.273 32 HD22 LEU 3 2HD2 LEU 3 7.946 -7.107 -2.121 33 HD23 LEU 3 3HD2 LEU 3 7.928 -5.371 -1.800 34 H GLU 4 H GLU 4 2.599 -7.367 0.194 35 HA GLU 4 HA GLU 4 2.737 -10.226 -0.423 36 HB2 GLU 4 1HB GLU 4 0.691 -8.465 0.675 37 HB3 GLU 4 2HB GLU 4 0.057 -9.216 -0.770 38 HG2 GLU 4 1HG GLU 4 -0.593 -10.555 1.085 39 HG3 GLU 4 2HG GLU 4 0.628 -11.448 0.174 40 H ALA 5 H ALA 5 2.647 -10.978 -2.464 41 HA ALA 5 HA ALA 5 1.704 -9.246 -4.684 42 HB1 ALA 5 1HB ALA 5 3.185 -10.553 -6.189 43 HB2 ALA 5 2HB ALA 5 3.775 -11.478 -4.805 44 HB3 ALA 5 3HB ALA 5 4.113 -9.753 -4.915 45 H HIS 6 H HIS 6 -0.359 -9.920 -5.164 46 HA HIS 6 HA HIS 6 -0.951 -12.834 -5.047 47 HB2 HIS 6 1HB HIS 6 -3.144 -12.424 -4.298 48 HB3 HIS 6 2HB HIS 6 -2.225 -11.219 -3.420 49 HD1 HIS 6 HD1 HIS 6 -5.012 -11.619 -5.783 50 HD2 HIS 6 HD2 HIS 6 -2.584 -8.519 -4.461 51 HE1 HIS 6 HE1 HIS 6 -6.173 -9.511 -6.478 52 HE2 HIS 6 HE2 HIS 6 -4.797 -7.672 -5.449 53 H TYR 7 H TYR 7 -1.809 -13.798 -6.819 54 HA TYR 7 HA TYR 7 -2.596 -12.123 -9.145 55 HB2 TYR 7 2HB TYR 7 -0.524 -13.608 -9.430 56 HB3 TYR 7 1HB TYR 7 -1.588 -14.999 -9.265 57 HD1 TYR 7 1HD TYR 7 -2.571 -15.914 -11.234 58 HD2 TYR 7 2HD TYR 7 -1.145 -11.881 -11.317 59 HE1 TYR 7 1HE TYR 7 -3.030 -15.804 -13.640 60 HE2 TYR 7 2HE TYR 7 -1.608 -11.771 -13.726 61 HH TYR 7 HH TYR 7 -3.481 -14.082 -15.357 62 H THR 8 H THR 8 -3.919 -13.653 -6.636 63 HA THR 8 HA THR 8 -5.919 -15.358 -7.626 64 HB THR 8 HB THR 8 -7.192 -14.675 -5.496 65 HG1 THR 8 1HG THR 8 -6.281 -13.216 -4.150 66 HG21 THR 8 1HG2 THR 8 -5.637 -16.608 -5.511 67 HG22 THR 8 2HG2 THR 8 -5.607 -15.767 -3.962 68 HG23 THR 8 3HG2 THR 8 -4.294 -15.529 -5.117 69 H ASN 9 H ASN 9 -7.436 -14.904 -9.051 70 HA ASN 9 HA ASN 9 -8.212 -12.233 -9.790 71 HB2 ASN 9 1HB ASN 9 -9.141 -14.966 -10.806 72 HB3 ASN 9 2HB ASN 9 -9.655 -13.422 -11.489 73 HD21 ASN 9 1HD2 ASN 9 -5.981 -14.954 -12.353 74 HD22 ASN 9 2HD2 ASN 9 -6.996 -15.664 -11.153 75 H LEU 10 H LEU 10 -9.828 -11.146 -8.954 76 HA LEU 10 HA LEU 10 -12.392 -12.205 -8.374 77 HB2 LEU 10 1HB LEU 10 -12.609 -11.912 -6.020 78 HB3 LEU 10 2HB LEU 10 -11.173 -12.887 -6.241 79 HG LEU 10 HG LEU 10 -11.104 -9.893 -5.619 80 HD11 LEU 10 1HD1 LEU 10 -10.540 -10.510 -3.311 81 HD12 LEU 10 2HD1 LEU 10 -10.790 -12.216 -3.697 82 HD13 LEU 10 3HD1 LEU 10 -12.145 -11.084 -3.762 83 HD21 LEU 10 1HD2 LEU 10 -9.028 -10.581 -6.653 84 HD22 LEU 10 2HD2 LEU 10 -8.897 -11.982 -5.593 85 HD23 LEU 10 3HD2 LEU 10 -8.735 -10.352 -4.934 86 H LYS 11 H LYS 11 -13.833 -10.400 -7.414 87 HA LYS 11 HA LYS 11 -13.308 -7.867 -8.652 88 HB2 LYS 11 1HB LYS 11 -15.446 -8.754 -6.671 89 HB3 LYS 11 2HB LYS 11 -15.387 -7.144 -7.388 90 HG2 LYS 11 1HG LYS 11 -15.616 -8.163 -9.653 91 HG3 LYS 11 2HG LYS 11 -15.738 -9.761 -8.906 92 HD2 LYS 11 1HD LYS 11 -17.674 -7.440 -8.485 93 HD3 LYS 11 2HD LYS 11 -17.958 -8.841 -9.523 94 HE2 LYS 11 1HE LYS 11 -17.604 -8.915 -6.500 95 HE3 LYS 11 2HE LYS 11 -19.131 -9.071 -7.370 96 HZ1 LYS 11 1HZ LYS 11 -16.836 -10.944 -7.563 97 HZ2 LYS 11 2HZ LYS 11 -18.301 -11.096 -8.394 98 HZ3 LYS 11 3HZ LYS 11 -18.266 -11.216 -6.707 99 H CYS 12 H CYS 12 -11.365 -7.125 -7.829 100 HA CYS 12 HA CYS 12 -10.586 -7.009 -5.119 101 HB2 CYS 12 2HB CYS 12 -9.654 -5.376 -7.507 102 HB3 CYS 12 1HB CYS 12 -8.852 -5.389 -5.943 103 H ARG 13 H ARG 13 -11.678 -5.893 -3.616 104 HA ARG 13 HA ARG 13 -12.815 -3.234 -4.134 105 HB2 ARG 13 1HB ARG 13 -14.317 -4.848 -3.030 106 HB3 ARG 13 2HB ARG 13 -13.117 -5.142 -1.773 107 HG2 ARG 13 1HG ARG 13 -13.334 -2.689 -1.127 108 HG3 ARG 13 2HG ARG 13 -14.690 -2.582 -2.246 109 HD2 ARG 13 1HD ARG 13 -15.996 -4.106 -0.915 110 HD3 ARG 13 2HD ARG 13 -14.597 -4.528 0.083 111 HE ARG 13 HE ARG 13 -15.028 -1.749 0.233 112 HH11 ARG 13 1HH1 ARG 13 -16.525 -4.707 1.421 113 HH12 ARG 13 2HH1 ARG 13 -17.209 -3.931 2.806 114 HH21 ARG 13 1HH2 ARG 13 -15.943 -0.764 2.035 115 HH22 ARG 13 2HH2 ARG 13 -16.882 -1.693 3.158 116 H CYS 14 H CYS 14 -11.084 -1.839 -4.036 117 HA CYS 14 HA CYS 14 -10.013 -1.375 -1.324 118 HB2 CYS 14 2HB CYS 14 -8.273 -2.283 -3.102 119 HB3 CYS 14 1HB CYS 14 -8.349 -0.655 -3.760 120 H SER 15 H SER 15 -10.643 0.557 -0.616 121 HA SER 15 HA SER 15 -12.381 2.224 -2.093 122 HB2 SER 15 1HB SER 15 -12.258 3.674 0.006 123 HB3 SER 15 2HB SER 15 -12.717 1.994 0.272 124 HG SER 15 HG SER 15 -9.997 2.672 0.429 125 H GLY 16 H GLY 16 -11.213 2.896 -3.929 126 HA2 GLY 16 1HA GLY 16 -10.227 4.481 -5.228 127 HA3 GLY 16 2HA GLY 16 -10.276 5.533 -3.826 128 H VAL 17 H VAL 17 -8.329 6.479 -4.087 129 HA VAL 17 HA VAL 17 -5.974 4.950 -3.242 130 HB VAL 17 HB VAL 17 -4.482 6.301 -4.818 131 HG11 VAL 17 1HG1 VAL 17 -4.915 3.942 -5.314 132 HG12 VAL 17 2HG1 VAL 17 -4.815 4.869 -6.813 133 HG13 VAL 17 3HG1 VAL 17 -6.387 4.371 -6.187 134 HG21 VAL 17 1HG2 VAL 17 -6.076 8.095 -5.413 135 HG22 VAL 17 2HG2 VAL 17 -7.092 6.930 -6.266 136 HG23 VAL 17 3HG2 VAL 17 -5.470 7.294 -6.864 137 H ILE 18 H ILE 18 -4.624 6.180 -1.903 138 HA ILE 18 HA ILE 18 -5.352 8.987 -1.335 139 HB ILE 18 HB ILE 18 -4.644 7.174 1.010 140 HG12 ILE 18 1HG1 ILE 18 -7.539 7.510 0.071 141 HG13 ILE 18 2HG1 ILE 18 -6.596 6.050 -0.190 142 HG21 ILE 18 1HG2 ILE 18 -4.729 9.637 1.290 143 HG22 ILE 18 2HG2 ILE 18 -5.928 8.836 2.301 144 HG23 ILE 18 3HG2 ILE 18 -6.422 9.636 0.804 145 HD11 ILE 18 1HD1 ILE 18 -7.414 7.192 2.480 146 HD12 ILE 18 2HD1 ILE 18 -6.408 5.759 2.246 147 HD13 ILE 18 3HD1 ILE 18 -8.076 5.768 1.679 148 H SER 19 H SER 19 -3.524 10.243 -1.237 149 HA SER 19 HA SER 19 -0.894 8.968 -1.542 150 HB2 SER 19 1HB SER 19 -1.750 11.879 -1.853 151 HB3 SER 19 2HB SER 19 -0.153 11.228 -2.244 152 HG SER 19 HG SER 19 -2.525 11.050 -3.634 153 H THR 20 H THR 20 -2.545 9.521 1.113 154 HA THR 20 HA THR 20 -0.979 11.216 2.755 155 HB THR 20 HB THR 20 -2.093 9.913 4.676 156 HG1 THR 20 1HG THR 20 -2.382 7.995 3.165 157 HG21 THR 20 1HG2 THR 20 -3.962 11.021 2.549 158 HG22 THR 20 2HG2 THR 20 -3.118 11.977 3.770 159 HG23 THR 20 3HG2 THR 20 -4.343 10.807 4.256 160 H VAL 21 H VAL 21 0.994 10.869 3.588 161 HA VAL 21 HA VAL 21 2.423 8.430 3.097 162 HB VAL 21 HB VAL 21 3.249 10.805 4.846 163 HG11 VAL 21 1HG1 VAL 21 5.576 9.979 4.519 164 HG12 VAL 21 2HG1 VAL 21 4.955 8.567 3.663 165 HG13 VAL 21 3HG1 VAL 21 4.581 8.797 5.371 166 HG21 VAL 21 1HG2 VAL 21 3.847 10.259 1.907 167 HG22 VAL 21 2HG2 VAL 21 4.565 11.555 2.865 168 HG23 VAL 21 3HG2 VAL 21 2.834 11.557 2.543 169 H VAL 22 H VAL 22 1.992 6.673 4.241 170 HA VAL 22 HA VAL 22 0.763 6.761 6.876 171 HB VAL 22 HB VAL 22 1.512 4.316 5.199 172 HG11 VAL 22 1HG1 VAL 22 -0.200 3.122 6.541 173 HG12 VAL 22 2HG1 VAL 22 -0.480 4.581 7.494 174 HG13 VAL 22 3HG1 VAL 22 1.081 3.764 7.572 175 HG21 VAL 22 1HG2 VAL 22 -0.812 4.302 4.368 176 HG22 VAL 22 2HG2 VAL 22 -0.017 5.817 3.931 177 HG23 VAL 22 3HG2 VAL 22 -1.163 5.778 5.272 178 H GLY 23 H GLY 23 1.694 5.998 8.779 179 HA2 GLY 23 1HA GLY 23 4.449 6.425 9.153 180 HA3 GLY 23 2HA GLY 23 3.351 5.712 10.321 181 H LEU 24 H LEU 24 6.157 5.117 8.828 182 HA LEU 24 HA LEU 24 5.988 2.634 7.551 183 HB2 LEU 24 1HB LEU 24 8.253 4.124 8.872 184 HB3 LEU 24 2HB LEU 24 8.524 2.496 8.286 185 HG LEU 24 HG LEU 24 7.969 3.185 5.980 186 HD11 LEU 24 1HD1 LEU 24 7.677 5.534 5.351 187 HD12 LEU 24 2HD1 LEU 24 7.667 6.005 7.053 188 HD13 LEU 24 3HD1 LEU 24 6.376 4.989 6.407 189 HD21 LEU 24 1HD2 LEU 24 10.099 4.939 7.252 190 HD22 LEU 24 2HD2 LEU 24 9.970 4.541 5.537 191 HD23 LEU 24 3HD2 LEU 24 10.303 3.270 6.708 192 H ASN 25 H ASN 25 6.127 3.368 10.979 193 HA ASN 25 HA ASN 25 6.820 0.704 11.843 194 HB2 ASN 25 1HB ASN 25 7.387 2.714 13.193 195 HB3 ASN 25 2HB ASN 25 5.675 3.043 13.424 196 HD21 ASN 25 1HD2 ASN 25 6.035 1.390 16.490 197 HD22 ASN 25 2HD2 ASN 25 5.776 2.882 15.664 198 H ILE 26 H ILE 26 3.780 2.527 11.319 199 HA ILE 26 HA ILE 26 2.171 0.365 12.507 200 HB ILE 26 HB ILE 26 0.184 1.721 12.158 201 HG12 ILE 26 1HG1 ILE 26 1.925 3.841 10.800 202 HG13 ILE 26 2HG1 ILE 26 0.872 2.733 9.932 203 HG21 ILE 26 1HG2 ILE 26 0.745 3.686 13.589 204 HG22 ILE 26 2HG2 ILE 26 2.460 3.366 13.325 205 HG23 ILE 26 3HG2 ILE 26 1.467 2.186 14.178 206 HD11 ILE 26 1HD1 ILE 26 0.001 4.850 11.893 207 HD12 ILE 26 2HD1 ILE 26 -1.073 3.714 11.071 208 HD13 ILE 26 3HD1 ILE 26 -0.153 4.893 10.137 209 H ILE 27 H ILE 27 3.410 1.151 9.377 210 HA ILE 27 HA ILE 27 1.380 -0.045 7.777 211 HB ILE 27 HB ILE 27 4.379 0.144 7.190 212 HG12 ILE 27 1HG1 ILE 27 2.048 1.887 6.240 213 HG13 ILE 27 2HG1 ILE 27 3.272 2.362 7.405 214 HG21 ILE 27 1HG2 ILE 27 2.102 -0.546 5.289 215 HG22 ILE 27 2HG2 ILE 27 3.338 -1.662 5.869 216 HG23 ILE 27 3HG2 ILE 27 3.791 -0.313 4.830 217 HD11 ILE 27 1HD1 ILE 27 3.728 3.373 5.274 218 HD12 ILE 27 2HD1 ILE 27 3.715 1.800 4.478 219 HD13 ILE 27 3HD1 ILE 27 4.986 2.193 5.636 220 H ASP 28 H ASP 28 0.687 -2.062 8.028 221 HA ASP 28 HA ASP 28 2.272 -4.137 9.305 222 HB2 ASP 28 1HB ASP 28 -0.149 -3.716 9.895 223 HB3 ASP 28 2HB ASP 28 -0.604 -4.212 8.273 224 H ARG 29 H ARG 29 0.450 -3.687 6.268 225 HA ARG 29 HA ARG 29 2.206 -5.532 4.816 226 HB2 ARG 29 1HB ARG 29 -0.732 -6.052 5.379 227 HB3 ARG 29 2HB ARG 29 -0.014 -6.648 3.885 228 HG2 ARG 29 1HG ARG 29 1.537 -8.035 5.076 229 HG3 ARG 29 2HG ARG 29 1.113 -7.296 6.620 230 HD2 ARG 29 1HD ARG 29 -1.038 -8.359 6.644 231 HD3 ARG 29 2HD ARG 29 -0.883 -8.861 4.958 232 HE ARG 29 HE ARG 29 0.413 -10.627 5.591 233 HH11 ARG 29 1HH1 ARG 29 0.104 -8.526 8.407 234 HH12 ARG 29 2HH1 ARG 29 0.812 -9.685 9.486 235 HH21 ARG 29 1HH2 ARG 29 1.342 -12.107 7.017 236 HH22 ARG 29 2HH2 ARG 29 1.513 -11.715 8.697 237 H ILE 30 H ILE 30 2.527 -4.926 2.792 238 HA ILE 30 HA ILE 30 0.747 -2.944 1.469 239 HB ILE 30 HB ILE 30 3.740 -3.469 1.051 240 HG12 ILE 30 1HG1 ILE 30 2.299 -1.046 2.225 241 HG13 ILE 30 2HG1 ILE 30 3.284 -2.202 3.113 242 HG21 ILE 30 1HG2 ILE 30 2.671 -2.898 -1.093 243 HG22 ILE 30 2HG2 ILE 30 3.736 -1.599 -0.560 244 HG23 ILE 30 3HG2 ILE 30 1.988 -1.435 -0.378 245 HD11 ILE 30 1HD1 ILE 30 4.270 -0.254 1.024 246 HD12 ILE 30 2HD1 ILE 30 5.271 -1.428 1.883 247 HD13 ILE 30 3HD1 ILE 30 4.478 -0.129 2.772 248 H GLN 31 H GLN 31 -0.572 -4.169 0.190 249 HA GLN 31 HA GLN 31 0.488 -6.544 -1.210 250 HB2 GLN 31 1HB GLN 31 -1.433 -7.013 0.208 251 HB3 GLN 31 2HB GLN 31 -2.370 -5.736 -0.556 252 HG2 GLN 31 1HG GLN 31 -2.548 -6.984 -2.612 253 HG3 GLN 31 2HG GLN 31 -1.358 -8.163 -2.064 254 HE21 GLN 31 1HE2 GLN 31 -3.896 -9.400 0.416 255 HE22 GLN 31 2HE2 GLN 31 -2.409 -8.542 0.583 256 H VAL 32 H VAL 32 0.989 -6.297 -3.254 257 HA VAL 32 HA VAL 32 -0.003 -4.102 -4.877 258 HB VAL 32 HB VAL 32 1.886 -6.390 -5.608 259 HG11 VAL 32 1HG1 VAL 32 2.551 -4.970 -7.540 260 HG12 VAL 32 2HG1 VAL 32 1.326 -3.781 -7.090 261 HG13 VAL 32 3HG1 VAL 32 0.839 -5.394 -7.616 262 HG21 VAL 32 1HG2 VAL 32 2.836 -5.006 -3.799 263 HG22 VAL 32 2HG2 VAL 32 2.549 -3.540 -4.740 264 HG23 VAL 32 3HG2 VAL 32 3.720 -4.734 -5.303 265 H THR 33 H THR 33 -1.807 -4.286 -6.026 266 HA THR 33 HA THR 33 -2.834 -6.894 -6.967 267 HB THR 33 HB THR 33 -4.316 -4.238 -6.677 268 HG1 THR 33 1HG THR 33 -4.176 -4.929 -4.654 269 HG21 THR 33 1HG2 THR 33 -6.373 -5.529 -7.115 270 HG22 THR 33 2HG2 THR 33 -5.426 -7.000 -7.346 271 HG23 THR 33 3HG2 THR 33 -5.271 -5.663 -8.490 272 HA PRO 34 HA PRO 34 -1.222 -5.198 -10.994 273 HB2 PRO 34 2HB PRO 34 -2.069 -8.003 -11.732 274 HB3 PRO 34 1HB PRO 34 -0.576 -7.134 -12.147 275 HG2 PRO 34 2HG PRO 34 -0.504 -9.038 -10.305 276 HG3 PRO 34 1HG PRO 34 0.403 -7.525 -10.062 277 HD2 PRO 34 2HD PRO 34 -2.231 -8.352 -8.844 278 HD3 PRO 34 1HD PRO 34 -0.843 -7.541 -8.080 279 HA PRO 35 HA PRO 35 -5.254 -4.093 -12.591 280 HB2 PRO 35 2HB PRO 35 -4.768 -3.665 -15.270 281 HB3 PRO 35 1HB PRO 35 -4.173 -2.576 -13.996 282 HG2 PRO 35 2HG PRO 35 -2.699 -4.789 -15.421 283 HG3 PRO 35 1HG PRO 35 -2.156 -3.130 -15.064 284 HD2 PRO 35 2HD PRO 35 -1.394 -5.226 -13.528 285 HD3 PRO 35 1HD PRO 35 -1.686 -3.620 -12.823 286 H GLY 36 H GLY 36 -5.968 -6.317 -12.050 287 HA2 GLY 36 1HA GLY 36 -6.189 -8.389 -14.020 288 HA3 GLY 36 2HA GLY 36 -6.957 -8.343 -12.441 289 H ASN 37 H ASN 37 -8.450 -9.434 -14.257 290 HA ASN 37 HA ASN 37 -10.007 -7.686 -15.926 291 HB2 ASN 37 1HB ASN 37 -9.626 -10.051 -16.523 292 HB3 ASN 37 2HB ASN 37 -10.467 -10.574 -15.071 293 HD21 ASN 37 1HD2 ASN 37 -13.248 -11.012 -17.158 294 HD22 ASN 37 2HD2 ASN 37 -12.007 -11.752 -16.210 295 H GLY 38 H GLY 38 -10.632 -9.423 -12.859 296 HA2 GLY 38 1HA GLY 38 -13.278 -8.351 -12.479 297 HA3 GLY 38 2HA GLY 38 -12.359 -9.322 -11.340 298 H CYS 39 H CYS 39 -10.106 -7.254 -11.738 299 HA CYS 39 HA CYS 39 -10.948 -5.511 -9.536 300 HB2 CYS 39 2HB CYS 39 -8.161 -5.890 -10.682 301 HB3 CYS 39 1HB CYS 39 -8.582 -5.246 -9.098 302 HA PRO 40 HA PRO 40 -11.754 -2.273 -12.475 303 HB2 PRO 40 2HB PRO 40 -11.760 -0.037 -10.866 304 HB3 PRO 40 1HB PRO 40 -13.043 -1.266 -10.809 305 HG2 PRO 40 2HG PRO 40 -10.654 -0.955 -8.994 306 HG3 PRO 40 1HG PRO 40 -12.354 -1.273 -8.572 307 HD2 PRO 40 2HD PRO 40 -10.517 -3.273 -8.658 308 HD3 PRO 40 1HD PRO 40 -12.216 -3.543 -9.119 309 H LYS 41 H LYS 41 -8.905 -1.826 -10.416 310 HA LYS 41 HA LYS 41 -7.372 -0.618 -12.581 311 HB2 LYS 41 1HB LYS 41 -6.722 1.384 -11.280 312 HB3 LYS 41 2HB LYS 41 -8.461 1.364 -11.557 313 HG2 LYS 41 1HG LYS 41 -8.827 0.555 -9.253 314 HG3 LYS 41 2HG LYS 41 -7.083 0.539 -8.982 315 HD2 LYS 41 1HD LYS 41 -7.065 3.025 -9.399 316 HD3 LYS 41 2HD LYS 41 -8.831 2.975 -9.477 317 HE2 LYS 41 1HE LYS 41 -7.136 2.176 -7.075 318 HE3 LYS 41 2HE LYS 41 -8.031 3.688 -7.238 319 HZ1 LYS 41 1HZ LYS 41 -9.232 0.970 -7.153 320 HZ2 LYS 41 2HZ LYS 41 -10.091 2.428 -7.275 321 HZ3 LYS 41 3HZ LYS 41 -9.210 2.069 -5.881 322 H THR 42 H THR 42 -5.041 -0.210 -11.775 323 HA THR 42 HA THR 42 -3.985 -2.410 -10.260 324 HB THR 42 HB THR 42 -2.545 0.198 -10.977 325 HG1 THR 42 1HG THR 42 -1.887 -1.203 -12.871 326 HG21 THR 42 1HG2 THR 42 -1.482 -2.641 -10.573 327 HG22 THR 42 2HG2 THR 42 -1.280 -1.295 -9.445 328 HG23 THR 42 3HG2 THR 42 -0.518 -1.234 -11.034 329 H GLU 43 H GLU 43 -4.043 -2.515 -8.047 330 HA GLU 43 HA GLU 43 -4.448 -0.002 -6.474 331 HB2 GLU 43 1HB GLU 43 -5.810 -2.691 -5.955 332 HB3 GLU 43 2HB GLU 43 -6.050 -1.207 -5.030 333 HG2 GLU 43 1HG GLU 43 -6.981 -0.137 -7.082 334 HG3 GLU 43 2HG GLU 43 -6.830 -1.667 -7.931 335 H VAL 44 H VAL 44 -3.083 0.229 -4.759 336 HA VAL 44 HA VAL 44 -1.650 -2.180 -3.765 337 HB VAL 44 HB VAL 44 -0.752 0.727 -3.516 338 HG11 VAL 44 1HG1 VAL 44 1.384 -0.257 -2.671 339 HG12 VAL 44 2HG1 VAL 44 0.663 -1.862 -2.743 340 HG13 VAL 44 3HG1 VAL 44 0.022 -0.657 -1.627 341 HG21 VAL 44 1HG2 VAL 44 -0.575 -0.040 -5.855 342 HG22 VAL 44 2HG2 VAL 44 0.311 -1.477 -5.339 343 HG23 VAL 44 3HG2 VAL 44 1.033 0.121 -5.146 344 H VAL 45 H VAL 45 -2.551 -2.910 -1.970 345 HA VAL 45 HA VAL 45 -4.255 -1.160 -0.327 346 HB VAL 45 HB VAL 45 -4.076 -4.205 -0.150 347 HG11 VAL 45 1HG1 VAL 45 -6.330 -4.030 0.867 348 HG12 VAL 45 2HG1 VAL 45 -6.276 -2.273 0.697 349 HG13 VAL 45 3HG1 VAL 45 -5.142 -3.091 1.776 350 HG21 VAL 45 1HG2 VAL 45 -4.709 -3.782 -2.467 351 HG22 VAL 45 2HG2 VAL 45 -5.912 -2.598 -1.971 352 HG23 VAL 45 3HG2 VAL 45 -6.147 -4.302 -1.589 353 H ILE 46 H ILE 46 -3.076 -0.243 1.273 354 HA ILE 46 HA ILE 46 -1.052 -1.774 2.749 355 HB ILE 46 HB ILE 46 -1.795 1.184 2.939 356 HG12 ILE 46 1HG1 ILE 46 0.614 -0.217 1.673 357 HG13 ILE 46 2HG1 ILE 46 -0.631 0.711 0.839 358 HG21 ILE 46 1HG2 ILE 46 -1.001 0.336 5.130 359 HG22 ILE 46 2HG2 ILE 46 0.171 1.446 4.427 360 HG23 ILE 46 3HG2 ILE 46 0.465 -0.294 4.371 361 HD11 ILE 46 1HD1 ILE 46 1.447 1.805 2.743 362 HD12 ILE 46 2HD1 ILE 46 0.160 2.750 1.990 363 HD13 ILE 46 3HD1 ILE 46 1.394 1.993 0.995 364 H TRP 47 H TRP 47 -2.125 -3.135 4.146 365 HA TRP 47 HA TRP 47 -4.134 -2.133 5.990 366 HB2 TRP 47 2HB TRP 47 -2.536 -4.731 5.945 367 HB3 TRP 47 1HB TRP 47 -3.642 -4.318 7.254 368 HD1 TRP 47 1HD TRP 47 -6.266 -4.316 6.701 369 HE1 TRP 47 1HE TRP 47 -7.617 -5.472 4.847 370 HE3 TRP 47 3HE TRP 47 -2.448 -5.443 3.504 371 HZ2 TRP 47 2HZ TRP 47 -7.138 -6.711 2.366 372 HZ3 TRP 47 3HZ TRP 47 -2.978 -6.632 1.420 373 HH2 TRP 47 2HH TRP 47 -5.273 -7.255 0.856 374 H THR 48 H THR 48 -3.773 -1.237 7.932 375 HA THR 48 HA THR 48 -1.002 -0.948 8.909 376 HB THR 48 HB THR 48 -2.097 0.666 10.575 377 HG1 THR 48 1HG THR 48 -4.286 0.634 8.770 378 HG21 THR 48 1HG2 THR 48 -0.917 1.498 8.562 379 HG22 THR 48 2HG2 THR 48 -2.322 2.496 8.942 380 HG23 THR 48 3HG2 THR 48 -2.402 1.328 7.620 381 H LYS 49 H LYS 49 -0.659 -1.211 11.265 382 HA LYS 49 HA LYS 49 -1.486 -3.760 12.225 383 HB2 LYS 49 1HB LYS 49 0.026 -1.520 13.628 384 HB3 LYS 49 2HB LYS 49 -0.133 -3.167 14.240 385 HG2 LYS 49 1HG LYS 49 1.111 -4.016 12.266 386 HG3 LYS 49 2HG LYS 49 1.269 -2.368 11.653 387 HD2 LYS 49 1HD LYS 49 3.346 -3.025 12.713 388 HD3 LYS 49 2HD LYS 49 2.585 -1.760 13.676 389 HE2 LYS 49 1HE LYS 49 1.766 -3.480 15.265 390 HE3 LYS 49 2HE LYS 49 2.527 -4.738 14.288 391 HZ1 LYS 49 1HZ LYS 49 4.672 -3.759 14.736 392 HZ2 LYS 49 2HZ LYS 49 3.882 -4.115 16.189 393 HZ3 LYS 49 3HZ LYS 49 3.954 -2.520 15.634 394 H MET 50 H MET 50 -2.693 -0.559 12.576 395 HA MET 50 HA MET 50 -4.427 -1.044 14.845 396 HB2 MET 50 1HB MET 50 -4.358 1.242 12.834 397 HB3 MET 50 2HB MET 50 -5.322 1.218 14.306 398 HG2 MET 50 1HG MET 50 -3.278 1.180 15.654 399 HG3 MET 50 2HG MET 50 -2.298 1.178 14.183 400 HE1 MET 50 1HE MET 50 -0.977 3.278 15.127 401 HE2 MET 50 2HE MET 50 -1.984 3.410 16.569 402 HE3 MET 50 3HE MET 50 -1.725 4.818 15.540 403 H LYS 51 H LYS 51 -4.483 -2.039 11.677 404 HA LYS 51 HA LYS 51 -5.861 -3.317 10.504 405 HB2 LYS 51 1HB LYS 51 -7.742 -2.996 12.865 406 HB3 LYS 51 2HB LYS 51 -8.134 -3.996 11.466 407 HG2 LYS 51 1HG LYS 51 -5.749 -4.387 13.311 408 HG3 LYS 51 2HG LYS 51 -7.246 -5.333 13.340 409 HD2 LYS 51 1HD LYS 51 -6.786 -6.162 11.063 410 HD3 LYS 51 2HD LYS 51 -5.326 -5.170 10.974 411 HE2 LYS 51 1HE LYS 51 -5.797 -7.457 12.918 412 HE3 LYS 51 2HE LYS 51 -4.784 -7.518 11.473 413 HZ1 LYS 51 1HZ LYS 51 -4.327 -5.745 13.818 414 HZ2 LYS 51 2HZ LYS 51 -3.354 -5.834 12.435 415 HZ3 LYS 51 3HZ LYS 51 -3.477 -7.164 13.465 416 H LYS 52 H LYS 52 -5.964 -0.252 10.490 417 HA LYS 52 HA LYS 52 -8.431 0.256 9.043 418 HB2 LYS 52 1HB LYS 52 -5.889 1.910 9.372 419 HB3 LYS 52 2HB LYS 52 -7.203 2.417 8.323 420 HG2 LYS 52 1HG LYS 52 -7.421 3.601 10.398 421 HG3 LYS 52 2HG LYS 52 -8.735 2.427 10.304 422 HD2 LYS 52 1HD LYS 52 -7.541 0.926 11.839 423 HD3 LYS 52 2HD LYS 52 -6.157 2.019 11.870 424 HE2 LYS 52 1HE LYS 52 -7.471 2.276 13.902 425 HE3 LYS 52 2HE LYS 52 -7.574 3.749 12.941 426 HZ1 LYS 52 1HZ LYS 52 -9.714 3.053 13.878 427 HZ2 LYS 52 2HZ LYS 52 -9.648 1.618 12.979 428 HZ3 LYS 52 3HZ LYS 52 -9.744 3.112 12.190 429 H VAL 53 H VAL 53 -8.782 -0.278 6.995 430 HA VAL 53 HA VAL 53 -6.685 -1.278 5.235 431 HB VAL 53 HB VAL 53 -9.661 -0.847 4.634 432 HG11 VAL 53 1HG1 VAL 53 -9.327 -2.479 2.794 433 HG12 VAL 53 2HG1 VAL 53 -7.610 -2.582 3.191 434 HG13 VAL 53 3HG1 VAL 53 -8.285 -1.067 2.589 435 HG21 VAL 53 1HG2 VAL 53 -9.361 -2.397 6.560 436 HG22 VAL 53 2HG2 VAL 53 -8.315 -3.416 5.570 437 HG23 VAL 53 3HG2 VAL 53 -10.014 -3.225 5.145 438 H ILE 54 H ILE 54 -5.423 0.313 4.435 439 HA ILE 54 HA ILE 54 -6.592 2.820 3.379 440 HB ILE 54 HB ILE 54 -3.682 2.162 4.068 441 HG12 ILE 54 1HG1 ILE 54 -5.715 3.907 5.550 442 HG13 ILE 54 2HG1 ILE 54 -5.117 2.343 6.088 443 HG21 ILE 54 1HG2 ILE 54 -3.203 4.558 3.686 444 HG22 ILE 54 2HG2 ILE 54 -4.884 4.833 3.221 445 HG23 ILE 54 3HG2 ILE 54 -3.848 3.811 2.224 446 HD11 ILE 54 1HD1 ILE 54 -4.045 4.065 7.340 447 HD12 ILE 54 2HD1 ILE 54 -3.550 4.912 5.878 448 HD13 ILE 54 3HD1 ILE 54 -2.844 3.342 6.270 449 H CYS 55 H CYS 55 -6.363 3.292 1.233 450 HA CYS 55 HA CYS 55 -5.081 1.312 -0.571 451 HB2 CYS 55 2HB CYS 55 -7.436 3.175 -1.077 452 HB3 CYS 55 1HB CYS 55 -6.707 2.108 -2.285 453 H VAL 56 H VAL 56 -3.474 2.112 -1.899 454 HA VAL 56 HA VAL 56 -3.106 5.037 -2.129 455 HB VAL 56 HB VAL 56 -0.673 4.849 -1.781 456 HG11 VAL 56 1HG1 VAL 56 -0.613 4.333 0.656 457 HG12 VAL 56 2HG1 VAL 56 -2.223 3.627 0.536 458 HG13 VAL 56 3HG1 VAL 56 -1.992 5.347 0.219 459 HG21 VAL 56 1HG2 VAL 56 -1.109 1.912 -1.110 460 HG22 VAL 56 2HG2 VAL 56 0.421 2.791 -1.033 461 HG23 VAL 56 3HG2 VAL 56 -0.363 2.520 -2.589 462 H ASN 57 H ASN 57 -1.861 5.676 -3.985 463 HA ASN 57 HA ASN 57 -2.337 4.045 -6.321 464 HB2 ASN 57 1HB ASN 57 -1.405 5.985 -7.601 465 HB3 ASN 57 2HB ASN 57 -2.714 6.446 -6.528 466 HD21 ASN 57 1HD2 ASN 57 0.491 8.629 -6.371 467 HD22 ASN 57 2HD2 ASN 57 -0.140 7.757 -7.717 468 HA PRO 58 HA PRO 58 1.678 2.036 -6.384 469 HB2 PRO 58 2HB PRO 58 1.831 1.311 -9.043 470 HB3 PRO 58 1HB PRO 58 0.748 0.509 -7.887 471 HG2 PRO 58 2HG PRO 58 0.099 2.696 -9.861 472 HG3 PRO 58 1HG PRO 58 -0.793 1.193 -9.515 473 HD2 PRO 58 2HD PRO 58 -1.571 3.550 -8.439 474 HD3 PRO 58 1HD PRO 58 -1.721 2.029 -7.533 475 H ARG 59 H ARG 59 1.073 4.953 -8.053 476 HA ARG 59 HA ARG 59 3.857 5.272 -8.988 477 HB2 ARG 59 1HB ARG 59 1.360 6.894 -9.600 478 HB3 ARG 59 2HB ARG 59 2.960 7.242 -10.251 479 HG2 ARG 59 1HG ARG 59 2.956 5.079 -11.428 480 HG3 ARG 59 2HG ARG 59 1.365 4.704 -10.757 481 HD2 ARG 59 1HD ARG 59 0.367 6.560 -11.976 482 HD3 ARG 59 2HD ARG 59 1.952 7.091 -12.552 483 HE ARG 59 HE ARG 59 1.814 4.561 -13.473 484 HH11 ARG 59 1HH1 ARG 59 -0.448 7.236 -13.758 485 HH12 ARG 59 2HH1 ARG 59 -1.065 6.692 -15.281 486 HH21 ARG 59 1HH2 ARG 59 0.981 3.862 -15.451 487 HH22 ARG 59 2HH2 ARG 59 -0.260 4.784 -16.242 488 H ALA 60 H ALA 60 2.320 5.793 -6.160 489 HA ALA 60 HA ALA 60 2.917 8.489 -5.489 490 HB1 ALA 60 1HB ALA 60 2.703 7.702 -3.120 491 HB2 ALA 60 2HB ALA 60 2.609 6.043 -3.717 492 HB3 ALA 60 3HB ALA 60 1.358 7.204 -4.147 493 H LYS 61 H LYS 61 4.842 9.451 -5.095 494 HA LYS 61 HA LYS 61 7.280 8.106 -5.619 495 HB2 LYS 61 1HB LYS 61 8.390 10.254 -5.188 496 HB3 LYS 61 2HB LYS 61 6.957 10.487 -6.178 497 HG2 LYS 61 1HG LYS 61 5.722 11.342 -4.240 498 HG3 LYS 61 2HG LYS 61 7.108 11.025 -3.192 499 HD2 LYS 61 1HD LYS 61 8.440 12.682 -4.500 500 HD3 LYS 61 2HD LYS 61 7.019 13.014 -5.498 501 HE2 LYS 61 1HE LYS 61 7.189 13.458 -2.496 502 HE3 LYS 61 2HE LYS 61 7.360 14.721 -3.712 503 HZ1 LYS 61 1HZ LYS 61 5.142 14.676 -2.782 504 HZ2 LYS 61 2HZ LYS 61 4.923 13.071 -3.264 505 HZ3 LYS 61 3HZ LYS 61 5.090 14.288 -4.427 506 H TRP 62 H TRP 62 5.745 9.099 -2.560 507 HA TRP 62 HA TRP 62 7.930 8.479 -0.838 508 HB2 TRP 62 2HB TRP 62 6.335 8.652 1.006 509 HB3 TRP 62 1HB TRP 62 6.035 9.950 -0.139 510 HD1 TRP 62 1HD TRP 62 3.704 9.858 -1.521 511 HE1 TRP 62 1HE TRP 62 1.499 8.611 -1.103 512 HE3 TRP 62 3HE TRP 62 5.307 6.473 1.984 513 HZ2 TRP 62 2HZ TRP 62 0.556 6.514 0.472 514 HZ3 TRP 62 3HZ TRP 62 3.663 4.875 2.902 515 HH2 TRP 62 2HH TRP 62 1.335 4.893 2.155 516 H LEU 63 H LEU 63 5.233 6.620 -2.144 517 HA LEU 63 HA LEU 63 5.607 4.207 -0.693 518 HB2 LEU 63 1HB LEU 63 3.504 4.728 -1.854 519 HB3 LEU 63 2HB LEU 63 4.341 4.743 -3.399 520 HG LEU 63 HG LEU 63 4.870 2.274 -3.032 521 HD11 LEU 63 1HD1 LEU 63 3.453 1.008 -1.455 522 HD12 LEU 63 2HD1 LEU 63 2.862 2.534 -0.794 523 HD13 LEU 63 3HD1 LEU 63 4.564 2.109 -0.641 524 HD21 LEU 63 1HD2 LEU 63 1.952 3.024 -3.270 525 HD22 LEU 63 2HD2 LEU 63 2.683 1.502 -3.777 526 HD23 LEU 63 3HD2 LEU 63 3.134 2.999 -4.578 527 H GLN 64 H GLN 64 6.839 5.457 -3.782 528 HA GLN 64 HA GLN 64 8.094 3.142 -4.745 529 HB2 GLN 64 1HB GLN 64 8.548 6.085 -5.302 530 HB3 GLN 64 2HB GLN 64 9.541 4.852 -6.079 531 HG2 GLN 64 1HG GLN 64 6.522 5.085 -6.288 532 HG3 GLN 64 2HG GLN 64 7.685 5.569 -7.525 533 HE21 GLN 64 1HE2 GLN 64 6.271 2.086 -8.101 534 HE22 GLN 64 2HE2 GLN 64 5.531 3.569 -7.621 535 H ARG 65 H ARG 65 9.233 5.647 -2.545 536 HA ARG 65 HA ARG 65 11.914 4.887 -2.189 537 HB2 ARG 65 1HB ARG 65 9.896 6.007 -0.194 538 HB3 ARG 65 2HB ARG 65 11.623 5.881 0.134 539 HG2 ARG 65 1HG ARG 65 10.555 7.461 -2.227 540 HG3 ARG 65 2HG ARG 65 10.703 8.165 -0.617 541 HD2 ARG 65 1HD ARG 65 12.999 6.956 -2.202 542 HD3 ARG 65 2HD ARG 65 12.642 8.686 -2.082 543 HE ARG 65 HE ARG 65 12.902 7.463 0.490 544 HH11 ARG 65 1HH1 ARG 65 14.831 8.799 -2.132 545 HH12 ARG 65 2HH1 ARG 65 16.174 9.155 -1.103 546 HH21 ARG 65 1HH2 ARG 65 14.637 7.940 1.806 547 HH22 ARG 65 2HH2 ARG 65 16.068 8.667 1.147 548 H LEU 66 H LEU 66 8.937 3.707 -0.640 549 HA LEU 66 HA LEU 66 10.163 1.867 1.165 550 HB2 LEU 66 1HB LEU 66 7.304 1.887 0.135 551 HB3 LEU 66 2HB LEU 66 7.878 1.023 1.554 552 HG LEU 66 HG LEU 66 7.654 4.052 1.247 553 HD11 LEU 66 1HD1 LEU 66 5.963 3.894 3.012 554 HD12 LEU 66 2HD1 LEU 66 6.079 2.132 2.972 555 HD13 LEU 66 3HD1 LEU 66 5.493 3.015 1.558 556 HD21 LEU 66 1HD2 LEU 66 8.288 4.156 3.659 557 HD22 LEU 66 2HD2 LEU 66 9.596 3.635 2.611 558 HD23 LEU 66 3HD2 LEU 66 8.729 2.445 3.585 559 H LEU 67 H LEU 67 8.739 1.542 -2.072 560 HA LEU 67 HA LEU 67 8.805 -1.288 -2.245 561 HB2 LEU 67 1HB LEU 67 8.767 0.769 -4.477 562 HB3 LEU 67 2HB LEU 67 8.436 -0.944 -4.680 563 HG LEU 67 HG LEU 67 6.729 1.020 -3.090 564 HD11 LEU 67 1HD1 LEU 67 6.183 -0.295 -5.758 565 HD12 LEU 67 2HD1 LEU 67 6.529 1.413 -5.476 566 HD13 LEU 67 3HD1 LEU 67 5.047 0.703 -4.845 567 HD21 LEU 67 1HD2 LEU 67 6.578 -1.184 -2.059 568 HD22 LEU 67 2HD2 LEU 67 6.245 -1.930 -3.622 569 HD23 LEU 67 3HD2 LEU 67 5.078 -0.818 -2.905 570 H ARG 68 H ARG 68 11.104 1.262 -3.039 571 HA ARG 68 HA ARG 68 13.052 -0.569 -4.178 572 HB2 ARG 68 1HB ARG 68 13.219 2.399 -3.579 573 HB3 ARG 68 2HB ARG 68 14.485 1.464 -4.374 574 HG2 ARG 68 1HG ARG 68 12.132 0.941 -5.884 575 HG3 ARG 68 2HG ARG 68 12.054 2.662 -5.519 576 HD2 ARG 68 1HD ARG 68 13.159 2.316 -7.664 577 HD3 ARG 68 2HD ARG 68 14.332 2.938 -6.500 578 HE ARG 68 HE ARG 68 14.150 0.143 -7.467 579 HH11 ARG 68 1HH1 ARG 68 16.044 2.690 -5.932 580 HH12 ARG 68 2HH1 ARG 68 17.512 1.769 -5.953 581 HH21 ARG 68 1HH2 ARG 68 16.073 -1.049 -7.451 582 HH22 ARG 68 2HH2 ARG 68 17.524 -0.346 -6.814 583 H HIS 69 H HIS 69 12.267 0.655 -1.041 584 HA HIS 69 HA HIS 69 14.846 0.171 0.172 585 HB2 HIS 69 1HB HIS 69 13.066 1.793 1.027 586 HB3 HIS 69 2HB HIS 69 12.157 0.399 1.589 587 HD1 HIS 69 HD1 HIS 69 15.177 2.456 2.314 588 HD2 HIS 69 HD2 HIS 69 13.202 -0.815 3.938 589 HE1 HIS 69 HE1 HIS 69 16.177 2.128 4.587 590 HE2 HIS 69 HE2 HIS 69 15.131 0.011 5.439 591 H VAL 70 H VAL 70 11.824 -1.667 -0.167 592 HA VAL 70 HA VAL 70 12.575 -3.799 1.613 593 HB VAL 70 HB VAL 70 10.549 -4.985 0.890 594 HG11 VAL 70 1HG1 VAL 70 8.838 -3.340 1.580 595 HG12 VAL 70 2HG1 VAL 70 9.997 -2.033 1.339 596 HG13 VAL 70 3HG1 VAL 70 10.282 -3.237 2.596 597 HG21 VAL 70 1HG2 VAL 70 10.229 -2.809 -1.210 598 HG22 VAL 70 2HG2 VAL 70 9.014 -4.026 -0.824 599 HG23 VAL 70 3HG2 VAL 70 10.563 -4.512 -1.518 600 H GLN 71 H GLN 71 13.525 -3.101 -1.543 601 HA GLN 71 HA GLN 71 14.296 -5.907 -2.131 602 HB2 GLN 71 1HB GLN 71 14.827 -5.125 -4.416 603 HB3 GLN 71 2HB GLN 71 13.153 -4.782 -3.992 604 HG2 GLN 71 1HG GLN 71 13.675 -2.428 -3.628 605 HG3 GLN 71 2HG GLN 71 15.393 -2.741 -3.868 606 HE21 GLN 71 1HE2 GLN 71 12.890 -2.321 -7.044 607 HE22 GLN 71 2HE2 GLN 71 12.268 -2.527 -5.444 608 H SER 72 H SER 72 15.476 -3.970 -0.125 609 HA SER 72 HA SER 72 18.314 -4.366 -0.839 610 HB2 SER 72 1HB SER 72 17.719 -1.960 -1.215 611 HB3 SER 72 2HB SER 72 17.150 -1.845 0.448 612 HG SER 72 HG SER 72 19.804 -2.368 -0.421 613 H LYS 73 H LYS 73 18.058 -6.281 0.421 614 HA LYS 73 HA LYS 73 17.373 -6.150 3.253 615 HB2 LYS 73 1HB LYS 73 16.750 -8.068 1.686 616 HB3 LYS 73 2HB LYS 73 18.445 -8.517 1.646 617 HG2 LYS 73 1HG LYS 73 16.921 -8.394 4.265 618 HG3 LYS 73 2HG LYS 73 16.808 -9.810 3.220 619 HD2 LYS 73 1HD LYS 73 19.244 -10.161 3.413 620 HD3 LYS 73 2HD LYS 73 19.395 -8.706 4.397 621 HE2 LYS 73 1HE LYS 73 17.828 -11.188 5.166 622 HE3 LYS 73 2HE LYS 73 19.428 -10.758 5.772 623 HZ1 LYS 73 1HZ LYS 73 18.451 -8.733 6.724 624 HZ2 LYS 73 2HZ LYS 73 17.740 -10.133 7.349 625 HZ3 LYS 73 3HZ LYS 73 16.916 -9.213 6.194 626 H SER 74 H SER 74 20.227 -6.495 1.212 627 HA SER 74 HA SER 74 22.069 -6.775 3.447 628 HB2 SER 74 1HB SER 74 23.815 -6.777 1.607 629 HB3 SER 74 2HB SER 74 22.600 -8.044 1.456 630 HG SER 74 HG SER 74 22.545 -5.565 0.064 631 H LEU 75 H LEU 75 21.983 -4.900 4.615 632 HA LEU 75 HA LEU 75 22.288 -2.261 3.439 633 HB2 LEU 75 1HB LEU 75 22.141 -3.295 6.294 634 HB3 LEU 75 2HB LEU 75 22.562 -1.624 5.960 635 HG LEU 75 HG LEU 75 20.340 -1.289 4.861 636 HD11 LEU 75 1HD1 LEU 75 19.692 -4.103 5.780 637 HD12 LEU 75 2HD1 LEU 75 19.853 -3.559 4.109 638 HD13 LEU 75 3HD1 LEU 75 18.540 -2.940 5.107 639 HD21 LEU 75 1HD2 LEU 75 20.613 -0.701 7.214 640 HD22 LEU 75 2HD2 LEU 75 20.173 -2.339 7.704 641 HD23 LEU 75 3HD2 LEU 75 18.982 -1.300 6.914 642 H SER 76 H SER 76 24.069 -0.827 4.106 643 HA SER 76 HA SER 76 26.705 -1.994 4.041 644 HB2 SER 76 1HB SER 76 26.223 0.215 2.979 645 HB3 SER 76 2HB SER 76 25.808 0.888 4.556 646 HG SER 76 HG SER 76 28.106 0.995 3.507 647 H SER 77 H SER 77 28.230 -1.927 5.793 648 HA SER 77 HA SER 77 27.150 -2.445 8.412 649 HB2 SER 77 1HB SER 77 29.556 -2.810 9.032 650 HB3 SER 77 2HB SER 77 29.093 -3.716 7.592 651 HG SER 77 HG SER 77 30.970 -2.778 7.047 652 H THR 78 H THR 78 28.315 -1.357 10.369 653 HA THR 78 HA THR 78 28.731 1.547 9.902 654 HB THR 78 HB THR 78 27.643 0.262 12.447 655 HG1 THR 78 1HG THR 78 26.139 0.188 10.689 656 HG21 THR 78 1HG2 THR 78 28.853 2.393 12.860 657 HG22 THR 78 2HG2 THR 78 27.121 2.589 13.125 658 HG23 THR 78 3HG2 THR 78 27.859 3.195 11.641 659 HA PRO 79 HA PRO 79 32.837 0.216 11.650 660 HB2 PRO 79 2HB PRO 79 33.887 2.143 9.646 661 HB3 PRO 79 1HB PRO 79 34.327 0.442 9.882 662 HG2 PRO 79 2HG PRO 79 32.946 1.273 7.710 663 HG3 PRO 79 1HG PRO 79 32.689 -0.328 8.445 664 HD2 PRO 79 2HD PRO 79 31.034 2.177 8.759 665 HD3 PRO 79 1HD PRO 79 30.498 0.501 8.495 666 H GLN 80 H GLN 80 31.275 3.223 10.741 667 HA GLN 80 HA GLN 80 32.869 5.068 12.181 668 HB2 GLN 80 1HB GLN 80 29.960 5.276 11.276 669 HB3 GLN 80 2HB GLN 80 30.859 6.606 11.985 670 HG2 GLN 80 1HG GLN 80 30.835 6.984 9.651 671 HG3 GLN 80 2HG GLN 80 32.464 6.461 10.042 672 HE21 GLN 80 1HE2 GLN 80 32.354 3.606 8.006 673 HE22 GLN 80 2HE2 GLN 80 33.195 4.468 9.243 674 H ALA 81 H ALA 81 33.199 4.689 14.320 675 HA ALA 81 HA ALA 81 31.266 3.584 16.104 676 HB1 ALA 81 1HB ALA 81 32.927 4.088 17.875 677 HB2 ALA 81 2HB ALA 81 33.878 5.023 16.714 678 HB3 ALA 81 3HB ALA 81 33.669 3.284 16.494 679 HA PRO 82 HA PRO 82 29.288 7.649 16.866 680 HB2 PRO 82 2HB PRO 82 27.000 6.785 17.990 681 HB3 PRO 82 1HB PRO 82 27.332 6.464 16.272 682 HG2 PRO 82 2HG PRO 82 27.631 4.606 18.624 683 HG3 PRO 82 1HG PRO 82 26.935 4.285 17.018 684 HD2 PRO 82 2HD PRO 82 29.552 3.645 17.740 685 HD3 PRO 82 1HD PRO 82 29.003 3.870 16.067 686 H VAL 83 H VAL 83 30.892 5.720 18.920 687 HA VAL 83 HA VAL 83 30.541 7.526 21.211 688 HB VAL 83 HB VAL 83 29.401 5.543 21.944 689 HG11 VAL 83 1HG1 VAL 83 31.776 3.861 21.062 690 HG12 VAL 83 2HG1 VAL 83 30.159 3.864 20.348 691 HG13 VAL 83 3HG1 VAL 83 30.394 3.269 21.989 692 HG21 VAL 83 1HG2 VAL 83 30.868 6.569 23.632 693 HG22 VAL 83 2HG2 VAL 83 32.191 5.499 23.163 694 HG23 VAL 83 3HG2 VAL 83 30.729 4.830 23.893 695 H SER 84 H SER 84 32.295 8.717 20.729 696 HA SER 84 HA SER 84 34.950 7.578 20.340 697 HB2 SER 84 1HB SER 84 34.276 9.734 19.241 698 HB3 SER 84 2HB SER 84 34.115 10.480 20.829 699 HG SER 84 HG SER 84 36.137 10.914 19.827 700 H LYS 85 H LYS 85 36.717 8.655 21.872 701 HA LYS 85 HA LYS 85 36.344 7.609 24.487 702 HB2 LYS 85 1HB LYS 85 38.579 7.774 23.380 703 HB3 LYS 85 2HB LYS 85 38.504 9.525 23.496 704 HG2 LYS 85 1HG LYS 85 39.953 8.609 25.238 705 HG3 LYS 85 2HG LYS 85 38.535 9.378 25.964 706 HD2 LYS 85 1HD LYS 85 37.480 7.142 26.257 707 HD3 LYS 85 2HD LYS 85 38.894 6.377 25.523 708 HE2 LYS 85 1HE LYS 85 40.290 7.167 27.385 709 HE3 LYS 85 2HE LYS 85 38.896 7.982 28.101 710 HZ1 LYS 85 1HZ LYS 85 39.202 5.057 27.692 711 HZ2 LYS 85 2HZ LYS 85 37.823 5.813 28.309 712 HZ3 LYS 85 3HZ LYS 85 39.278 5.881 29.165 713 H ARG 86 H ARG 86 34.841 8.502 25.764 714 HA ARG 86 HA ARG 86 34.215 11.312 25.892 715 HB2 ARG 86 1HB ARG 86 32.722 10.635 27.813 716 HB3 ARG 86 2HB ARG 86 32.420 9.754 26.321 717 HG2 ARG 86 1HG ARG 86 33.537 7.779 27.175 718 HG3 ARG 86 2HG ARG 86 34.067 8.647 28.616 719 HD2 ARG 86 1HD ARG 86 31.179 8.061 27.882 720 HD3 ARG 86 2HD ARG 86 32.134 7.157 29.062 721 HE ARG 86 HE ARG 86 31.496 10.038 29.358 722 HH11 ARG 86 1HH1 ARG 86 31.709 6.832 30.816 723 HH12 ARG 86 2HH1 ARG 86 31.266 7.403 32.394 724 HH21 ARG 86 1HH2 ARG 86 30.929 10.743 31.432 725 HH22 ARG 86 2HH2 ARG 86 30.825 9.612 32.740 726 H ARG 87 H ARG 87 34.327 12.569 27.912 727 HA ARG 87 HA ARG 87 36.911 12.826 28.951 728 HB2 ARG 87 1HB ARG 87 35.211 14.662 28.845 729 HB3 ARG 87 2HB ARG 87 34.305 13.877 30.135 730 HG2 ARG 87 1HG ARG 87 36.424 14.148 31.579 731 HG3 ARG 87 2HG ARG 87 37.031 15.204 30.302 732 HD2 ARG 87 1HD ARG 87 36.052 16.557 32.058 733 HD3 ARG 87 2HD ARG 87 35.024 16.663 30.622 734 HE ARG 87 HE ARG 87 34.219 14.599 32.481 735 HH11 ARG 87 1HH1 ARG 87 33.865 18.024 31.757 736 HH12 ARG 87 2HH1 ARG 87 32.361 18.163 32.604 737 HH21 ARG 87 1HH2 ARG 87 32.285 14.812 33.607 738 HH22 ARG 87 2HH2 ARG 87 31.464 16.339 33.657 739 H ALA 88 H ALA 88 37.833 12.253 30.925 740 HA ALA 88 HA ALA 88 36.798 9.901 32.269 741 HB1 ALA 88 1HB ALA 88 39.209 10.131 31.789 742 HB2 ALA 88 2HB ALA 88 38.920 9.958 33.521 743 HB3 ALA 88 3HB ALA 88 39.293 11.546 32.840 744 H ALA 89 H ALA 89 36.956 9.870 34.757 745 HA ALA 89 HA ALA 89 35.167 11.874 35.840 746 HB1 ALA 89 1HB ALA 89 36.412 9.441 37.173 747 HB2 ALA 89 2HB ALA 89 34.838 9.497 36.377 748 HB3 ALA 89 3HB ALA 89 35.117 10.439 37.842 Start of MODEL 16 1 H1 MET 1 1H MET 1 7.620 -6.784 8.237 2 H2 MET 1 2H MET 1 7.916 -5.120 8.255 3 H3 MET 1 3H MET 1 8.774 -6.124 7.203 4 HA MET 1 HA MET 1 5.873 -5.650 7.125 5 HB2 MET 1 1HB MET 1 8.110 -4.540 5.387 6 HB3 MET 1 2HB MET 1 6.414 -4.451 4.931 7 HG2 MET 1 1HG MET 1 5.937 -3.062 6.877 8 HG3 MET 1 2HG MET 1 7.616 -3.202 7.407 9 HE1 MET 1 1HE MET 1 6.179 -0.402 7.107 10 HE2 MET 1 2HE MET 1 7.409 0.541 6.274 11 HE3 MET 1 3HE MET 1 7.873 -0.557 7.571 12 H ILE 2 H ILE 2 4.859 -6.447 5.180 13 HA ILE 2 HA ILE 2 6.129 -8.828 3.932 14 HB ILE 2 HB ILE 2 3.118 -8.413 4.361 15 HG12 ILE 2 1HG1 ILE 2 4.962 -10.153 6.069 16 HG13 ILE 2 2HG1 ILE 2 4.232 -8.637 6.585 17 HG21 ILE 2 1HG2 ILE 2 2.889 -10.779 3.767 18 HG22 ILE 2 2HG2 ILE 2 4.638 -10.942 3.619 19 HG23 ILE 2 3HG2 ILE 2 3.753 -9.924 2.484 20 HD11 ILE 2 1HD1 ILE 2 1.998 -9.656 6.356 21 HD12 ILE 2 2HD1 ILE 2 3.025 -10.495 7.514 22 HD13 ILE 2 3HD1 ILE 2 2.758 -11.190 5.916 23 H LEU 3 H LEU 3 6.285 -8.646 1.688 24 HA LEU 3 HA LEU 3 4.548 -6.691 0.286 25 HB2 LEU 3 1HB LEU 3 6.966 -6.377 -0.140 26 HB3 LEU 3 2HB LEU 3 7.097 -8.039 -0.688 27 HG LEU 3 HG LEU 3 5.424 -7.415 -2.564 28 HD11 LEU 3 1HD1 LEU 3 6.081 -4.588 -1.692 29 HD12 LEU 3 2HD1 LEU 3 4.494 -5.362 -1.684 30 HD13 LEU 3 3HD1 LEU 3 5.300 -5.034 -3.212 31 HD21 LEU 3 1HD2 LEU 3 7.796 -7.757 -2.999 32 HD22 LEU 3 2HD2 LEU 3 8.132 -6.070 -2.603 33 HD23 LEU 3 3HD2 LEU 3 7.145 -6.469 -4.013 34 H GLU 4 H GLU 4 2.914 -7.491 -0.876 35 HA GLU 4 HA GLU 4 2.894 -10.346 -1.688 36 HB2 GLU 4 1HB GLU 4 0.464 -8.627 -1.035 37 HB3 GLU 4 2HB GLU 4 0.479 -10.352 -1.372 38 HG2 GLU 4 1HG GLU 4 1.609 -10.809 0.724 39 HG3 GLU 4 2HG GLU 4 1.812 -9.080 1.029 40 H ALA 5 H ALA 5 3.335 -10.289 -3.894 41 HA ALA 5 HA ALA 5 1.834 -8.504 -5.665 42 HB1 ALA 5 1HB ALA 5 2.831 -9.888 -7.489 43 HB2 ALA 5 2HB ALA 5 3.556 -10.951 -6.280 44 HB3 ALA 5 3HB ALA 5 4.064 -9.265 -6.391 45 H HIS 6 H HIS 6 -0.307 -8.956 -6.212 46 HA HIS 6 HA HIS 6 -1.463 -11.340 -5.023 47 HB2 HIS 6 1HB HIS 6 -3.584 -10.355 -5.250 48 HB3 HIS 6 2HB HIS 6 -2.532 -8.990 -4.953 49 HD1 HIS 6 HD1 HIS 6 -5.308 -9.875 -6.921 50 HD2 HIS 6 HD2 HIS 6 -1.827 -7.742 -7.700 51 HE1 HIS 6 HE1 HIS 6 -5.779 -8.546 -8.995 52 HE2 HIS 6 HE2 HIS 6 -3.660 -7.274 -9.453 53 H TYR 7 H TYR 7 -0.821 -13.130 -6.176 54 HA TYR 7 HA TYR 7 -1.257 -13.451 -8.985 55 HB2 TYR 7 2HB TYR 7 0.252 -14.972 -7.669 56 HB3 TYR 7 1HB TYR 7 -1.158 -15.639 -6.850 57 HD1 TYR 7 1HD TYR 7 -2.345 -17.482 -7.856 58 HD2 TYR 7 2HD TYR 7 0.342 -15.183 -10.258 59 HE1 TYR 7 1HE TYR 7 -2.674 -19.050 -9.725 60 HE2 TYR 7 2HE TYR 7 0.021 -16.750 -12.120 61 HH TYR 7 HH TYR 7 -0.688 -19.027 -12.527 62 H THR 8 H THR 8 -3.113 -14.035 -6.072 63 HA THR 8 HA THR 8 -5.494 -15.034 -7.249 64 HB THR 8 HB THR 8 -6.509 -14.390 -5.001 65 HG1 THR 8 1HG THR 8 -5.258 -12.637 -4.422 66 HG21 THR 8 1HG2 THR 8 -5.222 -16.017 -3.666 67 HG22 THR 8 2HG2 THR 8 -3.905 -15.964 -4.840 68 HG23 THR 8 3HG2 THR 8 -5.476 -16.626 -5.301 69 H ASN 9 H ASN 9 -6.063 -13.697 -8.984 70 HA ASN 9 HA ASN 9 -6.699 -10.881 -8.605 71 HB2 ASN 9 1HB ASN 9 -6.985 -12.777 -10.971 72 HB3 ASN 9 2HB ASN 9 -7.672 -11.158 -11.003 73 HD21 ASN 9 1HD2 ASN 9 -3.650 -11.691 -11.373 74 HD22 ASN 9 2HD2 ASN 9 -4.671 -12.982 -10.847 75 H LEU 10 H LEU 10 -8.019 -11.701 -6.702 76 HA LEU 10 HA LEU 10 -10.768 -12.474 -7.294 77 HB2 LEU 10 1HB LEU 10 -9.492 -11.499 -4.702 78 HB3 LEU 10 2HB LEU 10 -11.097 -12.196 -4.847 79 HG LEU 10 HG LEU 10 -8.489 -13.698 -5.349 80 HD11 LEU 10 1HD1 LEU 10 -8.922 -14.873 -3.247 81 HD12 LEU 10 2HD1 LEU 10 -10.351 -13.875 -2.958 82 HD13 LEU 10 3HD1 LEU 10 -8.746 -13.139 -2.979 83 HD21 LEU 10 1HD2 LEU 10 -9.935 -15.740 -5.303 84 HD22 LEU 10 2HD2 LEU 10 -10.212 -14.703 -6.690 85 HD23 LEU 10 3HD2 LEU 10 -11.359 -14.695 -5.346 86 H LYS 11 H LYS 11 -12.426 -10.875 -5.965 87 HA LYS 11 HA LYS 11 -12.378 -8.386 -7.397 88 HB2 LYS 11 1HB LYS 11 -14.238 -9.314 -5.154 89 HB3 LYS 11 2HB LYS 11 -14.477 -7.863 -6.124 90 HG2 LYS 11 1HG LYS 11 -14.564 -10.741 -7.102 91 HG3 LYS 11 2HG LYS 11 -15.924 -9.628 -6.956 92 HD2 LYS 11 1HD LYS 11 -15.057 -8.236 -8.756 93 HD3 LYS 11 2HD LYS 11 -13.560 -9.164 -8.816 94 HE2 LYS 11 1HE LYS 11 -14.918 -9.830 -10.682 95 HE3 LYS 11 2HE LYS 11 -14.906 -11.165 -9.533 96 HZ1 LYS 11 1HZ LYS 11 -17.092 -10.349 -8.737 97 HZ2 LYS 11 2HZ LYS 11 -17.103 -10.860 -10.343 98 HZ3 LYS 11 3HZ LYS 11 -17.090 -9.211 -9.987 99 H CYS 12 H CYS 12 -10.567 -7.209 -6.817 100 HA CYS 12 HA CYS 12 -9.702 -6.735 -4.153 101 HB2 CYS 12 2HB CYS 12 -9.152 -5.246 -6.751 102 HB3 CYS 12 1HB CYS 12 -8.353 -4.870 -5.226 103 H ARG 13 H ARG 13 -11.187 -5.937 -2.794 104 HA ARG 13 HA ARG 13 -12.853 -3.595 -3.469 105 HB2 ARG 13 1HB ARG 13 -13.001 -5.463 -1.054 106 HB3 ARG 13 2HB ARG 13 -14.172 -4.219 -1.488 107 HG2 ARG 13 1HG ARG 13 -14.762 -5.482 -3.530 108 HG3 ARG 13 2HG ARG 13 -13.582 -6.725 -3.103 109 HD2 ARG 13 1HD ARG 13 -15.816 -7.465 -2.487 110 HD3 ARG 13 2HD ARG 13 -14.867 -7.192 -1.021 111 HE ARG 13 HE ARG 13 -16.479 -4.934 -1.872 112 HH11 ARG 13 1HH1 ARG 13 -16.467 -7.842 0.121 113 HH12 ARG 13 2HH1 ARG 13 -17.766 -7.288 1.132 114 HH21 ARG 13 1HH2 ARG 13 -18.185 -4.247 -0.555 115 HH22 ARG 13 2HH2 ARG 13 -18.736 -5.257 0.746 116 H CYS 14 H CYS 14 -11.174 -2.087 -3.309 117 HA CYS 14 HA CYS 14 -10.470 -1.289 -0.558 118 HB2 CYS 14 2HB CYS 14 -8.581 -2.490 -2.088 119 HB3 CYS 14 1HB CYS 14 -8.403 -0.865 -2.718 120 H SER 15 H SER 15 -10.041 1.023 -0.427 121 HA SER 15 HA SER 15 -11.890 2.663 -1.733 122 HB2 SER 15 1HB SER 15 -9.402 3.502 -0.187 123 HB3 SER 15 2HB SER 15 -10.836 4.500 -0.476 124 HG SER 15 HG SER 15 -10.768 3.448 1.607 125 H GLY 16 H GLY 16 -9.176 1.490 -3.251 126 HA2 GLY 16 1HA GLY 16 -8.477 1.924 -5.388 127 HA3 GLY 16 2HA GLY 16 -9.363 3.444 -5.380 128 H VAL 17 H VAL 17 -8.345 5.315 -4.692 129 HA VAL 17 HA VAL 17 -5.572 5.121 -3.681 130 HB VAL 17 HB VAL 17 -6.510 7.235 -5.688 131 HG11 VAL 17 1HG1 VAL 17 -4.789 8.057 -4.133 132 HG12 VAL 17 2HG1 VAL 17 -4.133 7.907 -5.763 133 HG13 VAL 17 3HG1 VAL 17 -3.747 6.690 -4.541 134 HG21 VAL 17 1HG2 VAL 17 -5.044 6.130 -7.350 135 HG22 VAL 17 2HG2 VAL 17 -6.321 5.042 -6.804 136 HG23 VAL 17 3HG2 VAL 17 -4.682 4.849 -6.182 137 H ILE 18 H ILE 18 -5.238 6.298 -1.901 138 HA ILE 18 HA ILE 18 -7.127 8.422 -1.077 139 HB ILE 18 HB ILE 18 -5.470 6.622 0.781 140 HG12 ILE 18 1HG1 ILE 18 -8.470 6.496 0.192 141 HG13 ILE 18 2HG1 ILE 18 -7.278 5.297 -0.285 142 HG21 ILE 18 1HG2 ILE 18 -6.756 7.660 2.612 143 HG22 ILE 18 2HG2 ILE 18 -7.634 8.657 1.451 144 HG23 ILE 18 3HG2 ILE 18 -5.899 8.890 1.680 145 HD11 ILE 18 1HD1 ILE 18 -8.138 5.936 2.537 146 HD12 ILE 18 2HD1 ILE 18 -6.883 4.778 2.088 147 HD13 ILE 18 3HD1 ILE 18 -8.550 4.509 1.587 148 H SER 19 H SER 19 -6.145 10.381 -0.783 149 HA SER 19 HA SER 19 -3.398 10.688 -1.661 150 HB2 SER 19 1HB SER 19 -4.035 13.156 -1.623 151 HB3 SER 19 2HB SER 19 -5.053 12.144 -2.648 152 HG SER 19 HG SER 19 -5.778 12.687 0.030 153 H THR 20 H THR 20 -3.673 9.468 0.968 154 HA THR 20 HA THR 20 -2.463 11.501 2.764 155 HB THR 20 HB THR 20 -3.016 9.860 4.613 156 HG1 THR 20 1HG THR 20 -3.192 8.002 3.170 157 HG21 THR 20 1HG2 THR 20 -5.446 10.311 4.686 158 HG22 THR 20 2HG2 THR 20 -5.413 10.770 2.983 159 HG23 THR 20 3HG2 THR 20 -4.546 11.743 4.173 160 H VAL 21 H VAL 21 -0.335 11.265 3.247 161 HA VAL 21 HA VAL 21 1.222 8.973 2.497 162 HB VAL 21 HB VAL 21 2.362 11.160 2.636 163 HG11 VAL 21 1HG1 VAL 21 1.897 11.107 5.637 164 HG12 VAL 21 2HG1 VAL 21 1.175 12.239 4.496 165 HG13 VAL 21 3HG1 VAL 21 2.914 12.266 4.776 166 HG21 VAL 21 1HG2 VAL 21 3.471 9.177 4.662 167 HG22 VAL 21 2HG2 VAL 21 4.401 10.452 3.869 168 HG23 VAL 21 3HG2 VAL 21 3.721 9.131 2.916 169 H VAL 22 H VAL 22 1.200 7.101 3.521 170 HA VAL 22 HA VAL 22 -0.095 6.777 6.109 171 HB VAL 22 HB VAL 22 1.131 4.616 4.335 172 HG11 VAL 22 1HG1 VAL 22 -0.417 3.096 5.572 173 HG12 VAL 22 2HG1 VAL 22 -0.888 4.452 6.600 174 HG13 VAL 22 3HG1 VAL 22 0.771 3.859 6.633 175 HG21 VAL 22 1HG2 VAL 22 -0.573 5.878 3.074 176 HG22 VAL 22 2HG2 VAL 22 -1.744 5.593 4.363 177 HG23 VAL 22 3HG2 VAL 22 -1.119 4.235 3.424 178 H GLY 23 H GLY 23 0.918 6.218 8.006 179 HA2 GLY 23 1HA GLY 23 3.534 7.110 8.455 180 HA3 GLY 23 2HA GLY 23 2.552 6.198 9.588 181 H LEU 24 H LEU 24 5.430 6.139 8.042 182 HA LEU 24 HA LEU 24 5.680 3.531 6.972 183 HB2 LEU 24 1HB LEU 24 7.717 5.573 7.906 184 HB3 LEU 24 2HB LEU 24 8.222 3.993 7.333 185 HG LEU 24 HG LEU 24 7.152 4.479 5.108 186 HD11 LEU 24 1HD1 LEU 24 5.469 6.118 5.714 187 HD12 LEU 24 2HD1 LEU 24 6.542 6.771 4.480 188 HD13 LEU 24 3HD1 LEU 24 6.718 7.283 6.162 189 HD21 LEU 24 1HD2 LEU 24 9.261 6.490 5.945 190 HD22 LEU 24 2HD2 LEU 24 8.889 5.999 4.289 191 HD23 LEU 24 3HD2 LEU 24 9.553 4.828 5.425 192 H ASN 25 H ASN 25 5.619 4.586 10.238 193 HA ASN 25 HA ASN 25 6.869 2.242 11.415 194 HB2 ASN 25 1HB ASN 25 6.947 4.489 12.513 195 HB3 ASN 25 2HB ASN 25 5.196 4.458 12.684 196 HD21 ASN 25 1HD2 ASN 25 5.796 3.285 15.926 197 HD22 ASN 25 2HD2 ASN 25 5.208 4.558 14.917 198 H ILE 26 H ILE 26 3.562 3.411 10.692 199 HA ILE 26 HA ILE 26 2.312 1.195 12.147 200 HB ILE 26 HB ILE 26 0.153 2.167 11.705 201 HG12 ILE 26 1HG1 ILE 26 1.469 4.198 9.834 202 HG13 ILE 26 2HG1 ILE 26 0.522 2.816 9.306 203 HG21 ILE 26 1HG2 ILE 26 0.380 4.410 12.725 204 HG22 ILE 26 2HG2 ILE 26 2.106 4.413 12.353 205 HG23 ILE 26 3HG2 ILE 26 1.454 3.241 13.499 206 HD11 ILE 26 1HD1 ILE 26 -0.505 5.173 10.889 207 HD12 ILE 26 2HD1 ILE 26 -1.459 3.765 10.415 208 HD13 ILE 26 3HD1 ILE 26 -0.787 4.830 9.182 209 H ILE 27 H ILE 27 3.429 1.737 8.930 210 HA ILE 27 HA ILE 27 1.648 -0.027 7.550 211 HB ILE 27 HB ILE 27 4.487 0.835 6.867 212 HG12 ILE 27 1HG1 ILE 27 1.802 1.787 5.802 213 HG13 ILE 27 2HG1 ILE 27 2.771 2.643 6.987 214 HG21 ILE 27 1HG2 ILE 27 2.495 -0.605 5.080 215 HG22 ILE 27 2HG2 ILE 27 3.995 -1.285 5.712 216 HG23 ILE 27 3HG2 ILE 27 4.053 0.051 4.562 217 HD11 ILE 27 1HD1 ILE 27 3.122 3.711 4.963 218 HD12 ILE 27 2HD1 ILE 27 3.358 2.199 4.087 219 HD13 ILE 27 3HD1 ILE 27 4.574 2.760 5.238 220 H ASP 28 H ASP 28 1.590 -2.189 7.444 221 HA ASP 28 HA ASP 28 3.851 -3.793 8.493 222 HB2 ASP 28 1HB ASP 28 1.824 -3.794 10.001 223 HB3 ASP 28 2HB ASP 28 0.902 -4.528 8.695 224 H ARG 29 H ARG 29 1.037 -3.843 6.267 225 HA ARG 29 HA ARG 29 2.481 -5.805 4.565 226 HB2 ARG 29 1HB ARG 29 -0.522 -5.705 5.093 227 HB3 ARG 29 2HB ARG 29 0.299 -6.834 4.019 228 HG2 ARG 29 1HG ARG 29 1.437 -7.866 5.916 229 HG3 ARG 29 2HG ARG 29 0.720 -6.692 7.021 230 HD2 ARG 29 1HD ARG 29 -0.475 -8.809 7.160 231 HD3 ARG 29 2HD ARG 29 -1.532 -7.574 6.475 232 HE ARG 29 HE ARG 29 -0.778 -8.615 4.236 233 HH11 ARG 29 1HH1 ARG 29 -1.274 -10.516 7.185 234 HH12 ARG 29 2HH1 ARG 29 -1.678 -11.954 6.299 235 HH21 ARG 29 1HH2 ARG 29 -1.351 -10.492 3.149 236 HH22 ARG 29 2HH2 ARG 29 -1.722 -11.941 4.032 237 H ILE 30 H ILE 30 2.741 -5.185 2.541 238 HA ILE 30 HA ILE 30 1.040 -3.104 1.297 239 HB ILE 30 HB ILE 30 4.050 -3.576 0.948 240 HG12 ILE 30 1HG1 ILE 30 2.533 -1.143 1.992 241 HG13 ILE 30 2HG1 ILE 30 3.441 -2.280 2.978 242 HG21 ILE 30 1HG2 ILE 30 2.306 -1.611 -0.580 243 HG22 ILE 30 2HG2 ILE 30 3.035 -3.070 -1.250 244 HG23 ILE 30 3HG2 ILE 30 4.062 -1.744 -0.701 245 HD11 ILE 30 1HD1 ILE 30 4.576 -0.384 0.924 246 HD12 ILE 30 2HD1 ILE 30 5.507 -1.574 1.837 247 HD13 ILE 30 3HD1 ILE 30 4.690 -0.260 2.680 248 H GLN 31 H GLN 31 -0.273 -4.289 -0.003 249 HA GLN 31 HA GLN 31 0.862 -6.404 -1.722 250 HB2 GLN 31 1HB GLN 31 -1.064 -7.159 -0.424 251 HB3 GLN 31 2HB GLN 31 -2.020 -5.780 -0.949 252 HG2 GLN 31 1HG GLN 31 -2.190 -6.642 -3.189 253 HG3 GLN 31 2HG GLN 31 -0.988 -7.888 -2.871 254 HE21 GLN 31 1HE2 GLN 31 -3.517 -9.551 -0.640 255 HE22 GLN 31 2HE2 GLN 31 -2.022 -8.752 -0.325 256 H VAL 32 H VAL 32 1.301 -5.845 -3.756 257 HA VAL 32 HA VAL 32 0.233 -3.397 -4.913 258 HB VAL 32 HB VAL 32 1.699 -3.808 -6.853 259 HG11 VAL 32 1HG1 VAL 32 3.188 -4.126 -4.218 260 HG12 VAL 32 2HG1 VAL 32 2.632 -2.607 -4.924 261 HG13 VAL 32 3HG1 VAL 32 3.886 -3.548 -5.734 262 HG21 VAL 32 1HG2 VAL 32 3.290 -5.689 -6.948 263 HG22 VAL 32 2HG2 VAL 32 1.628 -6.279 -6.946 264 HG23 VAL 32 3HG2 VAL 32 2.598 -6.375 -5.477 265 H THR 33 H THR 33 -1.368 -3.280 -6.332 266 HA THR 33 HA THR 33 -2.581 -5.752 -7.399 267 HB THR 33 HB THR 33 -4.066 -3.331 -6.292 268 HG1 THR 33 1HG THR 33 -4.310 -4.476 -4.526 269 HG21 THR 33 1HG2 THR 33 -6.137 -4.632 -6.679 270 HG22 THR 33 2HG2 THR 33 -5.195 -5.911 -7.452 271 HG23 THR 33 3HG2 THR 33 -5.301 -4.313 -8.197 272 HA PRO 34 HA PRO 34 -2.144 -3.253 -11.275 273 HB2 PRO 34 2HB PRO 34 -1.343 -5.982 -12.239 274 HB3 PRO 34 1HB PRO 34 -0.593 -4.408 -12.580 275 HG2 PRO 34 2HG PRO 34 0.628 -6.154 -10.978 276 HG3 PRO 34 1HG PRO 34 0.654 -4.412 -10.605 277 HD2 PRO 34 2HD PRO 34 -1.115 -6.560 -9.422 278 HD3 PRO 34 1HD PRO 34 -0.206 -5.272 -8.594 279 HA PRO 35 HA PRO 35 -6.305 -4.670 -11.909 280 HB2 PRO 35 2HB PRO 35 -6.861 -3.751 -14.444 281 HB3 PRO 35 1HB PRO 35 -6.676 -2.669 -13.049 282 HG2 PRO 35 2HG PRO 35 -4.674 -3.332 -15.188 283 HG3 PRO 35 1HG PRO 35 -5.073 -1.754 -14.468 284 HD2 PRO 35 2HD PRO 35 -2.888 -3.191 -13.695 285 HD3 PRO 35 1HD PRO 35 -3.772 -2.126 -12.579 286 H GLY 36 H GLY 36 -7.402 -6.460 -12.615 287 HA2 GLY 36 1HA GLY 36 -6.534 -8.101 -14.858 288 HA3 GLY 36 2HA GLY 36 -6.234 -8.797 -13.265 289 H ASN 37 H ASN 37 -7.717 -10.456 -14.263 290 HA ASN 37 HA ASN 37 -10.504 -9.857 -14.584 291 HB2 ASN 37 1HB ASN 37 -10.765 -12.341 -14.851 292 HB3 ASN 37 2HB ASN 37 -9.584 -11.635 -15.936 293 HD21 ASN 37 1HD2 ASN 37 -8.365 -14.868 -14.393 294 HD22 ASN 37 2HD2 ASN 37 -9.871 -14.412 -15.108 295 H GLY 38 H GLY 38 -10.934 -8.836 -12.618 296 HA2 GLY 38 1HA GLY 38 -12.312 -9.875 -10.605 297 HA3 GLY 38 2HA GLY 38 -10.670 -10.223 -10.061 298 H CYS 39 H CYS 39 -9.241 -8.045 -10.792 299 HA CYS 39 HA CYS 39 -10.333 -5.953 -9.015 300 HB2 CYS 39 2HB CYS 39 -7.441 -6.343 -9.883 301 HB3 CYS 39 1HB CYS 39 -8.031 -5.361 -8.543 302 HA PRO 40 HA PRO 40 -10.623 -3.637 -12.973 303 HB2 PRO 40 2HB PRO 40 -12.377 -1.717 -12.216 304 HB3 PRO 40 1HB PRO 40 -12.896 -3.407 -12.415 305 HG2 PRO 40 2HG PRO 40 -12.241 -1.928 -9.884 306 HG3 PRO 40 1HG PRO 40 -13.589 -3.038 -10.220 307 HD2 PRO 40 2HD PRO 40 -11.264 -3.792 -8.914 308 HD3 PRO 40 1HD PRO 40 -12.315 -4.919 -9.800 309 H LYS 41 H LYS 41 -9.336 -2.534 -9.965 310 HA LYS 41 HA LYS 41 -8.583 0.137 -10.987 311 HB2 LYS 41 1HB LYS 41 -8.466 -0.970 -8.143 312 HB3 LYS 41 2HB LYS 41 -8.166 0.701 -8.618 313 HG2 LYS 41 1HG LYS 41 -10.507 1.002 -9.216 314 HG3 LYS 41 2HG LYS 41 -10.836 -0.712 -8.936 315 HD2 LYS 41 1HD LYS 41 -10.265 -0.423 -6.530 316 HD3 LYS 41 2HD LYS 41 -9.950 1.290 -6.813 317 HE2 LYS 41 1HE LYS 41 -12.635 -0.073 -7.206 318 HE3 LYS 41 2HE LYS 41 -12.173 0.878 -5.792 319 HZ1 LYS 41 1HZ LYS 41 -13.464 2.190 -7.338 320 HZ2 LYS 41 2HZ LYS 41 -12.352 1.893 -8.575 321 HZ3 LYS 41 3HZ LYS 41 -11.895 2.800 -7.226 322 H THR 42 H THR 42 -6.419 0.730 -11.164 323 HA THR 42 HA THR 42 -4.289 -1.107 -10.322 324 HB THR 42 HB THR 42 -3.876 1.731 -11.358 325 HG1 THR 42 1HG THR 42 -5.134 -0.127 -12.706 326 HG21 THR 42 1HG2 THR 42 -1.878 0.573 -10.447 327 HG22 THR 42 2HG2 THR 42 -1.726 0.828 -12.182 328 HG23 THR 42 3HG2 THR 42 -2.148 -0.772 -11.574 329 H GLU 43 H GLU 43 -3.758 -1.066 -8.191 330 HA GLU 43 HA GLU 43 -3.731 1.327 -6.549 331 HB2 GLU 43 1HB GLU 43 -5.486 0.543 -4.978 332 HB3 GLU 43 2HB GLU 43 -6.150 0.801 -6.586 333 HG2 GLU 43 1HG GLU 43 -5.967 -1.692 -6.979 334 HG3 GLU 43 2HG GLU 43 -5.510 -1.869 -5.287 335 H VAL 44 H VAL 44 -3.239 0.700 -4.216 336 HA VAL 44 HA VAL 44 -1.790 -1.863 -3.915 337 HB VAL 44 HB VAL 44 -0.753 0.885 -3.048 338 HG11 VAL 44 1HG1 VAL 44 1.232 -0.310 -2.154 339 HG12 VAL 44 2HG1 VAL 44 0.454 -1.853 -2.500 340 HG13 VAL 44 3HG1 VAL 44 -0.246 -0.762 -1.306 341 HG21 VAL 44 1HG2 VAL 44 0.381 -1.083 -5.065 342 HG22 VAL 44 2HG2 VAL 44 1.163 0.395 -4.547 343 HG23 VAL 44 3HG2 VAL 44 -0.356 0.473 -5.427 344 H VAL 45 H VAL 45 -2.590 -2.914 -2.195 345 HA VAL 45 HA VAL 45 -4.364 -1.521 -0.315 346 HB VAL 45 HB VAL 45 -3.933 -4.541 -0.560 347 HG11 VAL 45 1HG1 VAL 45 -4.933 -3.834 1.573 348 HG12 VAL 45 2HG1 VAL 45 -6.113 -4.709 0.594 349 HG13 VAL 45 3HG1 VAL 45 -6.193 -2.951 0.704 350 HG21 VAL 45 1HG2 VAL 45 -5.994 -2.821 -1.987 351 HG22 VAL 45 2HG2 VAL 45 -6.079 -4.578 -1.877 352 HG23 VAL 45 3HG2 VAL 45 -4.742 -3.815 -2.734 353 H ILE 46 H ILE 46 -3.346 -0.742 1.448 354 HA ILE 46 HA ILE 46 -1.051 -2.170 2.651 355 HB ILE 46 HB ILE 46 -1.956 0.717 3.111 356 HG12 ILE 46 1HG1 ILE 46 0.424 -0.342 1.515 357 HG13 ILE 46 2HG1 ILE 46 -1.026 0.383 0.831 358 HG21 ILE 46 1HG2 ILE 46 0.153 1.019 4.359 359 HG22 ILE 46 2HG2 ILE 46 0.565 -0.678 4.110 360 HG23 ILE 46 3HG2 ILE 46 -0.831 -0.246 5.105 361 HD11 ILE 46 1HD1 ILE 46 1.080 1.760 2.493 362 HD12 ILE 46 2HD1 ILE 46 -0.438 2.507 1.982 363 HD13 ILE 46 3HD1 ILE 46 0.732 1.977 0.779 364 H TRP 47 H TRP 47 -1.645 -3.491 4.305 365 HA TRP 47 HA TRP 47 -3.816 -2.766 6.165 366 HB2 TRP 47 2HB TRP 47 -1.994 -5.222 6.051 367 HB3 TRP 47 1HB TRP 47 -3.236 -4.971 7.273 368 HD1 TRP 47 1HD TRP 47 -5.769 -5.407 6.553 369 HE1 TRP 47 1HE TRP 47 -6.809 -6.618 4.540 370 HE3 TRP 47 3HE TRP 47 -1.691 -5.566 3.483 371 HZ2 TRP 47 2HZ TRP 47 -6.021 -7.512 2.005 372 HZ3 TRP 47 3HZ TRP 47 -1.920 -6.601 1.277 373 HH2 TRP 47 2HH TRP 47 -4.046 -7.556 0.543 374 H THR 48 H THR 48 -3.287 -1.399 7.790 375 HA THR 48 HA THR 48 -0.501 -1.105 8.666 376 HB THR 48 HB THR 48 -1.411 0.799 10.039 377 HG1 THR 48 1HG THR 48 -3.819 0.816 8.707 378 HG21 THR 48 1HG2 THR 48 -0.607 1.232 7.732 379 HG22 THR 48 2HG2 THR 48 -1.967 2.278 8.140 380 HG23 THR 48 3HG2 THR 48 -2.221 0.876 7.101 381 H LYS 49 H LYS 49 -0.288 -0.731 11.130 382 HA LYS 49 HA LYS 49 -0.664 -3.223 12.474 383 HB2 LYS 49 1HB LYS 49 0.510 -0.554 13.382 384 HB3 LYS 49 2HB LYS 49 0.566 -2.022 14.351 385 HG2 LYS 49 1HG LYS 49 1.844 -1.719 11.610 386 HG3 LYS 49 2HG LYS 49 2.700 -1.523 13.143 387 HD2 LYS 49 1HD LYS 49 1.280 -4.077 12.286 388 HD3 LYS 49 2HD LYS 49 3.002 -3.774 12.062 389 HE2 LYS 49 1HE LYS 49 1.615 -3.814 14.769 390 HE3 LYS 49 2HE LYS 49 2.500 -5.169 14.065 391 HZ1 LYS 49 1HZ LYS 49 4.495 -3.846 14.053 392 HZ2 LYS 49 2HZ LYS 49 3.854 -3.899 15.615 393 HZ3 LYS 49 3HZ LYS 49 3.671 -2.510 14.673 394 H MET 50 H MET 50 -2.448 -0.341 12.243 395 HA MET 50 HA MET 50 -3.985 -0.721 14.716 396 HB2 MET 50 1HB MET 50 -4.099 1.490 12.611 397 HB3 MET 50 2HB MET 50 -4.937 1.486 14.158 398 HG2 MET 50 1HG MET 50 -2.898 1.754 15.371 399 HG3 MET 50 2HG MET 50 -1.922 1.384 13.952 400 HE1 MET 50 1HE MET 50 -4.314 3.999 15.643 401 HE2 MET 50 2HE MET 50 -5.089 3.929 14.056 402 HE3 MET 50 3HE MET 50 -4.204 5.368 14.542 403 H LYS 51 H LYS 51 -4.006 -2.073 11.767 404 HA LYS 51 HA LYS 51 -5.396 -3.219 10.450 405 HB2 LYS 51 1HB LYS 51 -7.419 -2.854 12.694 406 HB3 LYS 51 2HB LYS 51 -7.645 -3.924 11.315 407 HG2 LYS 51 1HG LYS 51 -5.588 -5.194 12.052 408 HG3 LYS 51 2HG LYS 51 -5.555 -4.195 13.508 409 HD2 LYS 51 1HD LYS 51 -7.803 -6.074 12.663 410 HD3 LYS 51 2HD LYS 51 -6.637 -6.360 13.954 411 HE2 LYS 51 1HE LYS 51 -8.700 -4.126 13.927 412 HE3 LYS 51 2HE LYS 51 -8.836 -5.637 14.824 413 HZ1 LYS 51 1HZ LYS 51 -6.879 -5.022 16.094 414 HZ2 LYS 51 2HZ LYS 51 -8.075 -3.839 16.234 415 HZ3 LYS 51 3HZ LYS 51 -6.741 -3.571 15.234 416 H LYS 52 H LYS 52 -5.331 -0.221 10.338 417 HA LYS 52 HA LYS 52 -7.789 0.409 8.903 418 HB2 LYS 52 1HB LYS 52 -5.195 1.954 9.322 419 HB3 LYS 52 2HB LYS 52 -6.387 2.495 8.149 420 HG2 LYS 52 1HG LYS 52 -6.619 3.725 10.249 421 HG3 LYS 52 2HG LYS 52 -8.062 2.762 9.926 422 HD2 LYS 52 1HD LYS 52 -7.368 1.091 11.562 423 HD3 LYS 52 2HD LYS 52 -5.826 1.911 11.800 424 HE2 LYS 52 1HE LYS 52 -7.353 2.361 13.658 425 HE3 LYS 52 2HE LYS 52 -7.008 3.847 12.774 426 HZ1 LYS 52 1HZ LYS 52 -9.136 3.620 11.652 427 HZ2 LYS 52 2HZ LYS 52 -9.343 3.656 13.327 428 HZ3 LYS 52 3HZ LYS 52 -9.457 2.194 12.490 429 H VAL 53 H VAL 53 -8.164 -0.170 6.892 430 HA VAL 53 HA VAL 53 -6.068 -1.195 5.113 431 HB VAL 53 HB VAL 53 -9.104 -1.057 4.717 432 HG11 VAL 53 1HG1 VAL 53 -8.776 -2.642 2.854 433 HG12 VAL 53 2HG1 VAL 53 -7.029 -2.571 3.092 434 HG13 VAL 53 3HG1 VAL 53 -7.904 -1.132 2.564 435 HG21 VAL 53 1HG2 VAL 53 -8.510 -2.538 6.598 436 HG22 VAL 53 2HG2 VAL 53 -7.391 -3.430 5.563 437 HG23 VAL 53 3HG2 VAL 53 -9.124 -3.475 5.233 438 H ILE 54 H ILE 54 -4.977 0.406 4.085 439 HA ILE 54 HA ILE 54 -6.427 2.794 3.068 440 HB ILE 54 HB ILE 54 -3.483 2.646 3.887 441 HG12 ILE 54 1HG1 ILE 54 -5.795 3.964 5.390 442 HG13 ILE 54 2HG1 ILE 54 -5.082 2.419 5.832 443 HG21 ILE 54 1HG2 ILE 54 -5.220 5.018 3.086 444 HG22 ILE 54 2HG2 ILE 54 -3.917 4.312 2.125 445 HG23 ILE 54 3HG2 ILE 54 -3.551 5.125 3.647 446 HD11 ILE 54 1HD1 ILE 54 -4.301 4.223 7.234 447 HD12 ILE 54 2HD1 ILE 54 -3.641 5.063 5.831 448 HD13 ILE 54 3HD1 ILE 54 -2.986 3.497 6.319 449 H CYS 55 H CYS 55 -6.332 3.085 0.918 450 HA CYS 55 HA CYS 55 -4.734 1.209 -0.721 451 HB2 CYS 55 2HB CYS 55 -7.214 2.659 -1.686 452 HB3 CYS 55 1HB CYS 55 -6.591 1.076 -2.168 453 H VAL 56 H VAL 56 -3.127 2.176 -1.862 454 HA VAL 56 HA VAL 56 -3.285 5.073 -2.531 455 HB VAL 56 HB VAL 56 -0.863 5.296 -2.145 456 HG11 VAL 56 1HG1 VAL 56 -0.782 5.029 0.349 457 HG12 VAL 56 2HG1 VAL 56 -2.315 4.160 0.271 458 HG13 VAL 56 3HG1 VAL 56 -2.235 5.851 -0.229 459 HG21 VAL 56 1HG2 VAL 56 -0.180 2.968 -2.672 460 HG22 VAL 56 2HG2 VAL 56 -0.852 2.424 -1.136 461 HG23 VAL 56 3HG2 VAL 56 0.515 3.535 -1.152 462 H ASN 57 H ASN 57 -1.763 5.637 -4.393 463 HA ASN 57 HA ASN 57 -2.071 3.746 -6.555 464 HB2 ASN 57 1HB ASN 57 -1.073 5.468 -7.999 465 HB3 ASN 57 2HB ASN 57 -2.326 6.170 -7.004 466 HD21 ASN 57 1HD2 ASN 57 0.851 8.255 -7.153 467 HD22 ASN 57 2HD2 ASN 57 -0.007 7.394 -8.380 468 HA PRO 58 HA PRO 58 1.955 1.596 -6.373 469 HB2 PRO 58 2HB PRO 58 1.915 2.057 -9.366 470 HB3 PRO 58 1HB PRO 58 2.242 0.563 -8.462 471 HG2 PRO 58 2HG PRO 58 -0.105 0.879 -9.625 472 HG3 PRO 58 1HG PRO 58 -0.011 0.169 -7.996 473 HD2 PRO 58 2HD PRO 58 -0.856 2.943 -8.798 474 HD3 PRO 58 1HD PRO 58 -1.493 1.891 -7.513 475 H ARG 59 H ARG 59 1.609 4.590 -8.196 476 HA ARG 59 HA ARG 59 4.470 5.043 -8.461 477 HB2 ARG 59 1HB ARG 59 2.055 6.647 -9.383 478 HB3 ARG 59 2HB ARG 59 3.721 7.095 -9.730 479 HG2 ARG 59 1HG ARG 59 4.024 4.967 -10.978 480 HG3 ARG 59 2HG ARG 59 2.340 4.546 -10.652 481 HD2 ARG 59 1HD ARG 59 1.596 6.538 -11.921 482 HD3 ARG 59 2HD ARG 59 3.282 6.964 -12.236 483 HE ARG 59 HE ARG 59 3.444 5.242 -13.785 484 HH11 ARG 59 1HH1 ARG 59 0.286 5.107 -12.236 485 HH12 ARG 59 2HH1 ARG 59 -0.380 4.025 -13.417 486 HH21 ARG 59 1HH2 ARG 59 2.560 3.851 -15.322 487 HH22 ARG 59 2HH2 ARG 59 0.919 3.312 -15.172 488 H ALA 60 H ALA 60 2.674 5.434 -5.783 489 HA ALA 60 HA ALA 60 3.217 8.096 -4.939 490 HB1 ALA 60 1HB ALA 60 2.866 5.579 -3.264 491 HB2 ALA 60 2HB ALA 60 1.600 6.706 -3.748 492 HB3 ALA 60 3HB ALA 60 2.861 7.229 -2.630 493 H LYS 61 H LYS 61 5.093 9.052 -4.353 494 HA LYS 61 HA LYS 61 7.568 7.849 -5.016 495 HB2 LYS 61 1HB LYS 61 7.160 10.232 -5.374 496 HB3 LYS 61 2HB LYS 61 6.936 10.493 -3.647 497 HG2 LYS 61 1HG LYS 61 9.344 9.836 -3.298 498 HG3 LYS 61 2HG LYS 61 9.535 9.769 -5.055 499 HD2 LYS 61 1HD LYS 61 9.029 12.158 -5.243 500 HD3 LYS 61 2HD LYS 61 8.649 12.248 -3.519 501 HE2 LYS 61 1HE LYS 61 11.004 11.676 -2.990 502 HE3 LYS 61 2HE LYS 61 11.373 11.640 -4.715 503 HZ1 LYS 61 1HZ LYS 61 10.389 14.015 -3.226 504 HZ2 LYS 61 2HZ LYS 61 10.805 13.966 -4.865 505 HZ3 LYS 61 3HZ LYS 61 11.994 13.740 -3.686 506 H TRP 62 H TRP 62 6.234 8.853 -1.851 507 HA TRP 62 HA TRP 62 8.388 8.041 -0.221 508 HB2 TRP 62 2HB TRP 62 6.710 8.079 1.659 509 HB3 TRP 62 1HB TRP 62 6.674 9.531 0.667 510 HD1 TRP 62 1HD TRP 62 4.432 10.010 -0.741 511 HE1 TRP 62 1HE TRP 62 2.070 9.006 -0.651 512 HE3 TRP 62 3HE TRP 62 5.385 5.868 2.112 513 HZ2 TRP 62 2HZ TRP 62 0.783 6.797 0.459 514 HZ3 TRP 62 3HZ TRP 62 3.526 4.354 2.625 515 HH2 TRP 62 2HH TRP 62 1.263 4.800 1.822 516 H LEU 63 H LEU 63 5.676 6.297 -1.578 517 HA LEU 63 HA LEU 63 5.898 3.868 -0.139 518 HB2 LEU 63 1HB LEU 63 3.864 4.558 -1.360 519 HB3 LEU 63 2HB LEU 63 4.734 4.428 -2.878 520 HG LEU 63 HG LEU 63 5.051 1.931 -2.336 521 HD11 LEU 63 1HD1 LEU 63 2.960 2.531 -0.239 522 HD12 LEU 63 2HD1 LEU 63 4.597 1.929 0.024 523 HD13 LEU 63 3HD1 LEU 63 3.411 0.918 -0.795 524 HD21 LEU 63 1HD2 LEU 63 2.241 2.920 -2.824 525 HD22 LEU 63 2HD2 LEU 63 2.861 1.311 -3.171 526 HD23 LEU 63 3HD2 LEU 63 3.495 2.699 -4.043 527 H GLN 64 H GLN 64 7.397 5.119 -3.088 528 HA GLN 64 HA GLN 64 8.424 2.754 -4.183 529 HB2 GLN 64 1HB GLN 64 9.402 5.626 -4.363 530 HB3 GLN 64 2HB GLN 64 10.135 4.317 -5.289 531 HG2 GLN 64 1HG GLN 64 7.218 5.141 -5.451 532 HG3 GLN 64 2HG GLN 64 8.473 5.597 -6.601 533 HE21 GLN 64 1HE2 GLN 64 6.483 2.479 -7.597 534 HE22 GLN 64 2HE2 GLN 64 5.957 3.922 -6.813 535 H ARG 65 H ARG 65 9.692 4.801 -1.639 536 HA ARG 65 HA ARG 65 12.274 3.675 -1.326 537 HB2 ARG 65 1HB ARG 65 10.459 4.966 0.756 538 HB3 ARG 65 2HB ARG 65 12.177 4.644 0.974 539 HG2 ARG 65 1HG ARG 65 12.702 6.225 -0.860 540 HG3 ARG 65 2HG ARG 65 10.980 6.567 -1.058 541 HD2 ARG 65 1HD ARG 65 12.130 8.312 0.280 542 HD3 ARG 65 2HD ARG 65 10.876 7.487 1.216 543 HE ARG 65 HE ARG 65 13.551 6.395 1.492 544 HH11 ARG 65 1HH1 ARG 65 11.221 8.645 2.890 545 HH12 ARG 65 2HH1 ARG 65 11.998 8.659 4.441 546 HH21 ARG 65 1HH2 ARG 65 14.539 6.422 3.519 547 HH22 ARG 65 2HH2 ARG 65 13.881 7.399 4.799 548 H LEU 66 H LEU 66 9.094 2.811 -0.111 549 HA LEU 66 HA LEU 66 9.969 0.772 1.727 550 HB2 LEU 66 1HB LEU 66 7.198 1.464 0.689 551 HB3 LEU 66 2HB LEU 66 7.530 0.361 2.020 552 HG LEU 66 HG LEU 66 8.167 3.341 2.030 553 HD11 LEU 66 1HD1 LEU 66 5.753 2.917 2.069 554 HD12 LEU 66 2HD1 LEU 66 6.325 3.586 3.590 555 HD13 LEU 66 3HD1 LEU 66 5.956 1.863 3.467 556 HD21 LEU 66 1HD2 LEU 66 8.492 2.934 4.519 557 HD22 LEU 66 2HD2 LEU 66 9.744 2.293 3.472 558 HD23 LEU 66 3HD2 LEU 66 8.531 1.208 4.155 559 H LEU 67 H LEU 67 8.645 0.880 -1.547 560 HA LEU 67 HA LEU 67 8.303 -1.918 -1.962 561 HB2 LEU 67 1HB LEU 67 8.771 0.304 -3.997 562 HB3 LEU 67 2HB LEU 67 8.279 -1.334 -4.400 563 HG LEU 67 HG LEU 67 6.623 0.681 -2.826 564 HD11 LEU 67 1HD1 LEU 67 6.288 -0.338 -5.662 565 HD12 LEU 67 2HD1 LEU 67 6.786 1.285 -5.176 566 HD13 LEU 67 3HD1 LEU 67 5.161 0.718 -4.806 567 HD21 LEU 67 1HD2 LEU 67 5.890 -2.137 -3.702 568 HD22 LEU 67 2HD2 LEU 67 4.773 -0.955 -3.012 569 HD23 LEU 67 3HD2 LEU 67 6.106 -1.568 -2.043 570 H ARG 68 H ARG 68 10.975 0.334 -2.337 571 HA ARG 68 HA ARG 68 12.858 -1.432 -3.532 572 HB2 ARG 68 1HB ARG 68 12.876 1.211 -3.215 573 HB3 ARG 68 2HB ARG 68 13.668 0.857 -1.694 574 HG2 ARG 68 1HG ARG 68 14.683 0.107 -4.456 575 HG3 ARG 68 2HG ARG 68 15.270 1.445 -3.476 576 HD2 ARG 68 1HD ARG 68 15.528 -1.509 -2.822 577 HD3 ARG 68 2HD ARG 68 16.813 -0.456 -3.411 578 HE ARG 68 HE ARG 68 16.268 0.859 -1.229 579 HH11 ARG 68 1HH1 ARG 68 16.247 -2.650 -1.514 580 HH12 ARG 68 2HH1 ARG 68 16.660 -2.906 0.145 581 HH21 ARG 68 1HH2 ARG 68 16.756 0.487 0.975 582 HH22 ARG 68 2HH2 ARG 68 16.946 -1.139 1.555 583 H HIS 69 H HIS 69 12.158 -0.445 -0.176 584 HA HIS 69 HA HIS 69 14.341 -1.709 1.062 585 HB2 HIS 69 1HB HIS 69 13.174 0.131 2.163 586 HB3 HIS 69 2HB HIS 69 11.691 -0.811 2.252 587 HD1 HIS 69 HD1 HIS 69 11.291 -1.661 4.528 588 HD2 HIS 69 HD2 HIS 69 15.356 -1.493 3.674 589 HE1 HIS 69 HE1 HIS 69 12.446 -2.544 6.567 590 HE2 HIS 69 HE2 HIS 69 14.902 -2.339 6.070 591 H VAL 70 H VAL 70 10.931 -2.809 0.841 592 HA VAL 70 HA VAL 70 11.287 -5.227 2.283 593 HB VAL 70 HB VAL 70 9.110 -5.963 1.350 594 HG11 VAL 70 1HG1 VAL 70 7.708 -4.140 2.263 595 HG12 VAL 70 2HG1 VAL 70 9.101 -3.055 2.248 596 HG13 VAL 70 3HG1 VAL 70 9.097 -4.474 3.299 597 HG21 VAL 70 1HG2 VAL 70 7.830 -4.523 -0.211 598 HG22 VAL 70 2HG2 VAL 70 9.314 -5.115 -0.958 599 HG23 VAL 70 3HG2 VAL 70 9.222 -3.454 -0.377 600 H GLN 71 H GLN 71 11.714 -4.423 -1.106 601 HA GLN 71 HA GLN 71 12.378 -7.149 -1.933 602 HB2 GLN 71 1HB GLN 71 12.409 -4.465 -3.377 603 HB3 GLN 71 2HB GLN 71 12.922 -5.977 -4.126 604 HG2 GLN 71 1HG GLN 71 10.708 -6.901 -3.973 605 HG3 GLN 71 2HG GLN 71 10.151 -5.571 -2.963 606 HE21 GLN 71 1HE2 GLN 71 10.862 -4.373 -6.818 607 HE22 GLN 71 2HE2 GLN 71 12.109 -5.157 -5.928 608 H SER 72 H SER 72 14.487 -7.175 -3.384 609 HA SER 72 HA SER 72 16.730 -7.416 -3.451 610 HB2 SER 72 1HB SER 72 16.576 -4.923 -3.836 611 HB3 SER 72 2HB SER 72 16.801 -4.672 -2.105 612 HG SER 72 HG SER 72 18.853 -5.653 -2.301 613 H LYS 73 H LYS 73 15.284 -8.494 -1.215 614 HA LYS 73 HA LYS 73 15.326 -9.322 0.858 615 HB2 LYS 73 1HB LYS 73 17.489 -10.332 0.336 616 HB3 LYS 73 2HB LYS 73 18.328 -8.839 0.731 617 HG2 LYS 73 1HG LYS 73 17.668 -9.088 3.108 618 HG3 LYS 73 2HG LYS 73 16.782 -10.559 2.708 619 HD2 LYS 73 1HD LYS 73 18.874 -11.238 3.682 620 HD3 LYS 73 2HD LYS 73 18.959 -11.594 1.959 621 HE2 LYS 73 1HE LYS 73 20.180 -9.112 3.219 622 HE3 LYS 73 2HE LYS 73 21.063 -10.614 2.974 623 HZ1 LYS 73 1HZ LYS 73 21.591 -9.236 1.171 624 HZ2 LYS 73 2HZ LYS 73 19.991 -8.774 0.913 625 HZ3 LYS 73 3HZ LYS 73 20.483 -10.348 0.538 626 H SER 74 H SER 74 14.262 -8.175 2.336 627 HA SER 74 HA SER 74 14.784 -5.451 2.941 628 HB2 SER 74 1HB SER 74 12.522 -6.511 3.126 629 HB3 SER 74 2HB SER 74 13.075 -7.403 4.548 630 HG SER 74 HG SER 74 11.925 -5.335 4.877 631 H LEU 75 H LEU 75 16.609 -4.885 3.883 632 HA LEU 75 HA LEU 75 17.752 -6.397 6.151 633 HB2 LEU 75 1HB LEU 75 19.188 -6.052 4.114 634 HB3 LEU 75 2HB LEU 75 19.032 -4.317 4.320 635 HG LEU 75 HG LEU 75 20.188 -4.582 6.592 636 HD11 LEU 75 1HD1 LEU 75 20.818 -7.365 5.581 637 HD12 LEU 75 2HD1 LEU 75 19.772 -6.964 6.944 638 HD13 LEU 75 3HD1 LEU 75 21.490 -6.593 7.022 639 HD21 LEU 75 1HD2 LEU 75 21.386 -3.726 4.632 640 HD22 LEU 75 2HD2 LEU 75 21.812 -5.371 4.156 641 HD23 LEU 75 3HD2 LEU 75 22.445 -4.693 5.659 642 H SER 76 H SER 76 18.036 -5.343 8.121 643 HA SER 76 HA SER 76 16.557 -2.924 8.623 644 HB2 SER 76 1HB SER 76 16.694 -4.763 10.316 645 HB3 SER 76 2HB SER 76 18.425 -4.465 10.489 646 HG SER 76 HG SER 76 17.669 -3.217 12.044 647 H SER 77 H SER 77 17.324 -0.884 8.752 648 HA SER 77 HA SER 77 20.141 -0.338 8.077 649 HB2 SER 77 1HB SER 77 18.309 0.590 6.627 650 HB3 SER 77 2HB SER 77 17.718 1.519 8.003 651 HG SER 77 HG SER 77 19.919 2.447 8.031 652 H THR 78 H THR 78 18.647 -0.848 10.856 653 HA THR 78 HA THR 78 19.107 1.388 12.502 654 HB THR 78 HB THR 78 19.225 -0.326 14.398 655 HG1 THR 78 1HG THR 78 19.950 -2.002 12.636 656 HG21 THR 78 1HG2 THR 78 17.066 0.667 13.705 657 HG22 THR 78 2HG2 THR 78 16.870 -1.002 14.236 658 HG23 THR 78 3HG2 THR 78 16.858 -0.623 12.513 659 HA PRO 79 HA PRO 79 23.641 1.235 12.304 660 HB2 PRO 79 2HB PRO 79 24.232 3.399 13.817 661 HB3 PRO 79 1HB PRO 79 23.384 3.588 12.265 662 HG2 PRO 79 2HG PRO 79 22.221 3.544 15.042 663 HG3 PRO 79 1HG PRO 79 21.907 4.692 13.719 664 HD2 PRO 79 2HD PRO 79 20.252 2.570 14.258 665 HD3 PRO 79 1HD PRO 79 20.451 3.243 12.624 666 H GLN 80 H GLN 80 25.400 1.855 14.296 667 HA GLN 80 HA GLN 80 24.750 0.358 16.747 668 HB2 GLN 80 1HB GLN 80 26.905 -0.914 16.582 669 HB3 GLN 80 2HB GLN 80 25.757 -1.344 15.319 670 HG2 GLN 80 1HG GLN 80 26.984 -0.039 13.673 671 HG3 GLN 80 2HG GLN 80 28.076 0.575 14.916 672 HE21 GLN 80 1HE2 GLN 80 28.614 -3.137 13.324 673 HE22 GLN 80 2HE2 GLN 80 27.183 -2.222 13.003 674 H ALA 81 H ALA 81 26.216 0.829 18.491 675 HA ALA 81 HA ALA 81 27.625 3.414 18.264 676 HB1 ALA 81 1HB ALA 81 25.866 3.317 19.991 677 HB2 ALA 81 2HB ALA 81 27.456 3.504 20.733 678 HB3 ALA 81 3HB ALA 81 26.654 1.930 20.743 679 HA PRO 82 HA PRO 82 31.472 0.954 18.877 680 HB2 PRO 82 2HB PRO 82 33.270 2.937 18.477 681 HB3 PRO 82 1HB PRO 82 32.311 2.316 17.114 682 HG2 PRO 82 2HG PRO 82 31.871 4.806 18.736 683 HG3 PRO 82 1HG PRO 82 31.801 4.592 16.972 684 HD2 PRO 82 2HD PRO 82 29.559 4.595 18.590 685 HD3 PRO 82 1HD PRO 82 29.638 3.755 17.027 686 H VAL 83 H VAL 83 33.439 1.317 20.425 687 HA VAL 83 HA VAL 83 32.529 2.156 23.014 688 HB VAL 83 HB VAL 83 34.227 0.320 22.781 689 HG11 VAL 83 1HG1 VAL 83 36.632 0.844 22.520 690 HG12 VAL 83 2HG1 VAL 83 36.217 2.511 22.118 691 HG13 VAL 83 3HG1 VAL 83 35.716 1.198 21.055 692 HG21 VAL 83 1HG2 VAL 83 33.867 1.424 24.946 693 HG22 VAL 83 2HG2 VAL 83 35.096 2.629 24.559 694 HG23 VAL 83 3HG2 VAL 83 35.559 0.939 24.775 695 H SER 84 H SER 84 32.588 4.137 23.891 696 HA SER 84 HA SER 84 34.169 6.277 22.583 697 HB2 SER 84 1HB SER 84 32.279 7.837 23.243 698 HB3 SER 84 2HB SER 84 31.847 6.639 22.023 699 HG SER 84 HG SER 84 31.079 6.798 24.724 700 H LYS 85 H LYS 85 35.808 5.629 24.111 701 HA LYS 85 HA LYS 85 35.570 6.480 26.857 702 HB2 LYS 85 1HB LYS 85 38.033 5.868 25.161 703 HB3 LYS 85 2HB LYS 85 38.066 6.204 26.891 704 HG2 LYS 85 1HG LYS 85 36.692 3.846 25.555 705 HG3 LYS 85 2HG LYS 85 38.210 3.795 26.457 706 HD2 LYS 85 1HD LYS 85 37.031 4.420 28.530 707 HD3 LYS 85 2HD LYS 85 35.511 4.579 27.644 708 HE2 LYS 85 1HE LYS 85 35.597 2.167 27.096 709 HE3 LYS 85 2HE LYS 85 37.093 2.016 28.019 710 HZ1 LYS 85 1HZ LYS 85 35.907 2.635 30.010 711 HZ2 LYS 85 2HZ LYS 85 35.131 1.323 29.279 712 HZ3 LYS 85 3HZ LYS 85 34.481 2.879 29.142 713 H ARG 86 H ARG 86 34.806 8.507 26.828 714 HA ARG 86 HA ARG 86 35.789 10.610 25.107 715 HB2 ARG 86 1HB ARG 86 33.910 10.951 27.484 716 HB3 ARG 86 2HB ARG 86 34.045 11.972 26.054 717 HG2 ARG 86 1HG ARG 86 33.060 10.212 24.664 718 HG3 ARG 86 2HG ARG 86 33.008 9.119 26.051 719 HD2 ARG 86 1HD ARG 86 30.802 9.987 25.751 720 HD3 ARG 86 2HD ARG 86 31.466 10.770 27.182 721 HE ARG 86 HE ARG 86 31.925 12.730 25.728 722 HH11 ARG 86 1HH1 ARG 86 29.408 10.463 24.736 723 HH12 ARG 86 2HH1 ARG 86 28.559 11.643 23.789 724 HH21 ARG 86 1HH2 ARG 86 30.813 14.245 24.466 725 HH22 ARG 86 2HH2 ARG 86 29.360 13.791 23.638 726 H ARG 87 H ARG 87 37.980 10.579 25.757 727 HA ARG 87 HA ARG 87 38.829 11.353 28.403 728 HB2 ARG 87 1HB ARG 87 40.311 9.953 27.115 729 HB3 ARG 87 2HB ARG 87 40.283 11.062 25.750 730 HG2 ARG 87 1HG ARG 87 41.573 12.719 27.015 731 HG3 ARG 87 2HG ARG 87 41.520 11.695 28.454 732 HD2 ARG 87 1HD ARG 87 42.854 10.947 25.828 733 HD3 ARG 87 2HD ARG 87 43.697 11.553 27.261 734 HE ARG 87 HE ARG 87 42.314 9.406 28.197 735 HH11 ARG 87 1HH1 ARG 87 44.625 9.763 25.556 736 HH12 ARG 87 2HH1 ARG 87 45.199 8.132 25.691 737 HH21 ARG 87 1HH2 ARG 87 43.075 7.285 28.352 738 HH22 ARG 87 2HH2 ARG 87 44.318 6.729 27.276 739 H ALA 88 H ALA 88 38.951 13.387 29.155 740 HA ALA 88 HA ALA 88 38.963 15.721 27.324 741 HB1 ALA 88 1HB ALA 88 38.207 17.021 29.295 742 HB2 ALA 88 2HB ALA 88 38.257 15.561 30.287 743 HB3 ALA 88 3HB ALA 88 37.104 15.686 28.958 744 H ALA 89 H ALA 89 40.270 17.598 28.234 745 HA ALA 89 HA ALA 89 42.970 16.785 28.882 746 HB1 ALA 89 1HB ALA 89 42.578 18.620 27.288 747 HB2 ALA 89 2HB ALA 89 43.507 19.185 28.678 748 HB3 ALA 89 3HB ALA 89 41.789 19.571 28.553 Start of MODEL 17 1 H1 MET 1 1H MET 1 4.947 -5.076 8.474 2 H2 MET 1 2H MET 1 5.494 -3.511 8.796 3 H3 MET 1 3H MET 1 6.601 -4.778 8.639 4 HA MET 1 HA MET 1 4.860 -3.709 6.505 5 HB2 MET 1 1HB MET 1 7.906 -3.581 6.752 6 HB3 MET 1 2HB MET 1 6.937 -2.875 5.466 7 HG2 MET 1 1HG MET 1 5.931 -1.323 7.131 8 HG3 MET 1 2HG MET 1 6.980 -2.014 8.365 9 HE1 MET 1 1HE MET 1 6.838 0.161 5.056 10 HE2 MET 1 2HE MET 1 7.839 -1.208 4.567 11 HE3 MET 1 3HE MET 1 8.557 0.391 4.738 12 H ILE 2 H ILE 2 4.074 -5.755 5.909 13 HA ILE 2 HA ILE 2 6.030 -7.750 4.891 14 HB ILE 2 HB ILE 2 3.035 -8.042 5.438 15 HG12 ILE 2 1HG1 ILE 2 5.374 -9.224 7.003 16 HG13 ILE 2 2HG1 ILE 2 4.428 -7.830 7.511 17 HG21 ILE 2 1HG2 ILE 2 5.026 -10.187 4.594 18 HG22 ILE 2 2HG2 ILE 2 3.743 -9.514 3.586 19 HG23 ILE 2 3HG2 ILE 2 3.334 -10.461 5.016 20 HD11 ILE 2 1HD1 ILE 2 2.422 -9.253 7.598 21 HD12 ILE 2 2HD1 ILE 2 3.703 -9.769 8.699 22 HD13 ILE 2 3HD1 ILE 2 3.425 -10.654 7.198 23 H LEU 3 H LEU 3 6.423 -7.534 2.722 24 HA LEU 3 HA LEU 3 4.543 -6.214 0.962 25 HB2 LEU 3 1HB LEU 3 6.973 -5.959 0.572 26 HB3 LEU 3 2HB LEU 3 7.137 -7.691 0.329 27 HG LEU 3 HG LEU 3 5.577 -7.453 -1.700 28 HD11 LEU 3 1HD1 LEU 3 5.366 -5.232 -2.748 29 HD12 LEU 3 2HD1 LEU 3 6.045 -4.490 -1.298 30 HD13 LEU 3 3HD1 LEU 3 4.504 -5.346 -1.219 31 HD21 LEU 3 1HD2 LEU 3 8.220 -5.985 -1.864 32 HD22 LEU 3 2HD2 LEU 3 7.324 -6.672 -3.222 33 HD23 LEU 3 3HD2 LEU 3 7.987 -7.729 -1.979 34 H GLU 4 H GLU 4 2.866 -7.219 0.124 35 HA GLU 4 HA GLU 4 2.761 -10.165 -0.066 36 HB2 GLU 4 1HB GLU 4 1.266 -8.961 1.689 37 HB3 GLU 4 2HB GLU 4 0.379 -8.290 0.340 38 HG2 GLU 4 1HG GLU 4 -0.822 -10.208 1.152 39 HG3 GLU 4 2HG GLU 4 -0.156 -10.597 -0.434 40 H ALA 5 H ALA 5 2.380 -10.933 -2.086 41 HA ALA 5 HA ALA 5 1.263 -9.140 -4.179 42 HB1 ALA 5 1HB ALA 5 2.566 -10.454 -5.827 43 HB2 ALA 5 2HB ALA 5 3.250 -11.430 -4.525 44 HB3 ALA 5 3HB ALA 5 3.629 -9.710 -4.631 45 H HIS 6 H HIS 6 -0.720 -9.795 -4.915 46 HA HIS 6 HA HIS 6 -1.772 -12.326 -3.972 47 HB2 HIS 6 1HB HIS 6 -3.944 -11.566 -4.516 48 HB3 HIS 6 2HB HIS 6 -3.114 -10.092 -4.030 49 HD1 HIS 6 HD1 HIS 6 -5.093 -11.543 -6.723 50 HD2 HIS 6 HD2 HIS 6 -2.366 -8.435 -6.342 51 HE1 HIS 6 HE1 HIS 6 -5.427 -10.103 -8.750 52 HE2 HIS 6 HE2 HIS 6 -3.858 -8.163 -8.443 53 H TYR 7 H TYR 7 -1.395 -14.118 -5.056 54 HA TYR 7 HA TYR 7 -1.390 -14.208 -8.016 55 HB2 TYR 7 2HB TYR 7 -0.550 -16.352 -6.013 56 HB3 TYR 7 1HB TYR 7 -0.363 -16.437 -7.766 57 HD1 TYR 7 1HD TYR 7 1.214 -14.763 -8.908 58 HD2 TYR 7 2HD TYR 7 1.123 -15.280 -4.665 59 HE1 TYR 7 1HE TYR 7 3.394 -13.644 -8.719 60 HE2 TYR 7 2HE TYR 7 3.302 -14.169 -4.481 61 HH TYR 7 HH TYR 7 4.692 -12.428 -7.045 62 H THR 8 H THR 8 -3.165 -15.001 -5.192 63 HA THR 8 HA THR 8 -5.203 -16.588 -6.513 64 HB THR 8 HB THR 8 -5.169 -15.326 -3.724 65 HG1 THR 8 1HG THR 8 -3.850 -17.454 -4.773 66 HG21 THR 8 1HG2 THR 8 -6.874 -17.022 -3.149 67 HG22 THR 8 2HG2 THR 8 -6.883 -17.602 -4.815 68 HG23 THR 8 3HG2 THR 8 -7.461 -15.976 -4.445 69 H ASN 9 H ASN 9 -7.046 -15.763 -7.395 70 HA ASN 9 HA ASN 9 -7.532 -12.962 -7.689 71 HB2 ASN 9 1HB ASN 9 -8.242 -14.501 -9.451 72 HB3 ASN 9 2HB ASN 9 -9.271 -15.386 -8.328 73 HD21 ASN 9 1HD2 ASN 9 -12.000 -13.214 -8.673 74 HD22 ASN 9 2HD2 ASN 9 -11.331 -14.616 -7.920 75 H LEU 10 H LEU 10 -9.040 -11.676 -6.671 76 HA LEU 10 HA LEU 10 -10.804 -12.557 -4.589 77 HB2 LEU 10 1HB LEU 10 -9.774 -11.621 -2.667 78 HB3 LEU 10 2HB LEU 10 -8.513 -12.551 -3.441 79 HG LEU 10 HG LEU 10 -8.717 -9.504 -3.646 80 HD11 LEU 10 1HD1 LEU 10 -8.355 -10.118 -1.310 81 HD12 LEU 10 2HD1 LEU 10 -6.901 -9.387 -1.982 82 HD13 LEU 10 3HD1 LEU 10 -6.985 -11.137 -1.758 83 HD21 LEU 10 1HD2 LEU 10 -6.273 -9.684 -4.298 84 HD22 LEU 10 2HD2 LEU 10 -7.396 -10.320 -5.480 85 HD23 LEU 10 3HD2 LEU 10 -6.503 -11.429 -4.442 86 H LYS 11 H LYS 11 -11.758 -10.590 -3.452 87 HA LYS 11 HA LYS 11 -12.636 -8.649 -5.356 88 HB2 LYS 11 1HB LYS 11 -12.999 -8.762 -2.328 89 HB3 LYS 11 2HB LYS 11 -13.821 -7.624 -3.386 90 HG2 LYS 11 1HG LYS 11 -14.143 -10.642 -3.457 91 HG3 LYS 11 2HG LYS 11 -15.273 -9.508 -2.730 92 HD2 LYS 11 1HD LYS 11 -14.556 -9.491 -5.686 93 HD3 LYS 11 2HD LYS 11 -15.916 -10.390 -5.025 94 HE2 LYS 11 1HE LYS 11 -16.798 -8.349 -5.903 95 HE3 LYS 11 2HE LYS 11 -16.826 -8.185 -4.152 96 HZ1 LYS 11 1HZ LYS 11 -14.687 -7.062 -5.878 97 HZ2 LYS 11 2HZ LYS 11 -14.933 -6.763 -4.233 98 HZ3 LYS 11 3HZ LYS 11 -16.042 -6.192 -5.372 99 H CYS 12 H CYS 12 -10.872 -7.553 -6.126 100 HA CYS 12 HA CYS 12 -8.778 -6.410 -4.598 101 HB2 CYS 12 2HB CYS 12 -9.639 -5.476 -7.361 102 HB3 CYS 12 1HB CYS 12 -8.006 -5.539 -6.688 103 H ARG 13 H ARG 13 -8.892 -4.589 -3.321 104 HA ARG 13 HA ARG 13 -11.450 -3.108 -3.433 105 HB2 ARG 13 1HB ARG 13 -11.402 -3.035 -0.936 106 HB3 ARG 13 2HB ARG 13 -11.626 -4.636 -1.621 107 HG2 ARG 13 1HG ARG 13 -9.321 -5.246 -1.068 108 HG3 ARG 13 2HG ARG 13 -8.996 -3.607 -0.489 109 HD2 ARG 13 1HD ARG 13 -10.925 -5.631 0.711 110 HD3 ARG 13 2HD ARG 13 -9.400 -5.076 1.411 111 HE ARG 13 HE ARG 13 -10.620 -2.766 1.296 112 HH11 ARG 13 1HH1 ARG 13 -12.142 -5.815 2.175 113 HH12 ARG 13 2HH1 ARG 13 -13.317 -5.067 3.209 114 HH21 ARG 13 1HH2 ARG 13 -12.126 -1.808 2.694 115 HH22 ARG 13 2HH2 ARG 13 -13.308 -2.793 3.501 116 H CYS 14 H CYS 14 -10.537 -1.449 -4.606 117 HA CYS 14 HA CYS 14 -9.322 0.582 -2.838 118 HB2 CYS 14 2HB CYS 14 -7.705 -0.238 -4.631 119 HB3 CYS 14 1HB CYS 14 -8.816 0.405 -5.835 120 H SER 15 H SER 15 -11.283 1.436 -2.290 121 HA SER 15 HA SER 15 -13.139 2.387 -4.375 122 HB2 SER 15 1HB SER 15 -14.014 1.041 -2.427 123 HB3 SER 15 2HB SER 15 -13.487 2.320 -1.338 124 HG SER 15 HG SER 15 -14.937 3.730 -2.449 125 H GLY 16 H GLY 16 -10.405 3.507 -3.196 126 HA2 GLY 16 1HA GLY 16 -10.547 6.148 -3.829 127 HA3 GLY 16 2HA GLY 16 -11.061 6.103 -2.140 128 H VAL 17 H VAL 17 -8.512 7.046 -3.618 129 HA VAL 17 HA VAL 17 -6.503 5.529 -2.061 130 HB VAL 17 HB VAL 17 -4.776 6.665 -3.498 131 HG11 VAL 17 1HG1 VAL 17 -5.153 5.291 -5.514 132 HG12 VAL 17 2HG1 VAL 17 -6.836 5.042 -5.040 133 HG13 VAL 17 3HG1 VAL 17 -5.531 4.394 -4.042 134 HG21 VAL 17 1HG2 VAL 17 -7.145 7.667 -5.133 135 HG22 VAL 17 2HG2 VAL 17 -5.444 7.802 -5.586 136 HG23 VAL 17 3HG2 VAL 17 -6.050 8.667 -4.176 137 H ILE 18 H ILE 18 -5.315 6.522 -0.512 138 HA ILE 18 HA ILE 18 -6.247 9.180 0.394 139 HB ILE 18 HB ILE 18 -5.029 6.973 2.112 140 HG12 ILE 18 1HG1 ILE 18 -7.999 7.549 1.679 141 HG13 ILE 18 2HG1 ILE 18 -7.143 6.136 1.081 142 HG21 ILE 18 1HG2 ILE 18 -4.897 9.246 3.070 143 HG22 ILE 18 2HG2 ILE 18 -5.971 8.214 4.011 144 HG23 ILE 18 3HG2 ILE 18 -6.648 9.412 2.907 145 HD11 ILE 18 1HD1 ILE 18 -7.697 6.804 3.976 146 HD12 ILE 18 2HD1 ILE 18 -6.749 5.424 3.414 147 HD13 ILE 18 3HD1 ILE 18 -8.455 5.548 2.996 148 H SER 19 H SER 19 -4.744 10.758 0.448 149 HA SER 19 HA SER 19 -2.049 10.224 -0.501 150 HB2 SER 19 1HB SER 19 -3.485 12.853 0.062 151 HB3 SER 19 2HB SER 19 -1.949 12.681 -0.792 152 HG SER 19 HG SER 19 -3.014 12.202 -2.539 153 H THR 20 H THR 20 -2.797 9.522 2.323 154 HA THR 20 HA THR 20 -1.054 11.195 3.959 155 HB THR 20 HB THR 20 -1.661 9.516 5.784 156 HG1 THR 20 1HG THR 20 -2.211 7.824 4.170 157 HG21 THR 20 1HG2 THR 20 -2.945 11.615 5.553 158 HG22 THR 20 2HG2 THR 20 -3.980 10.288 6.080 159 HG23 THR 20 3HG2 THR 20 -4.028 10.830 4.401 160 H VAL 21 H VAL 21 1.080 10.765 4.175 161 HA VAL 21 HA VAL 21 2.331 8.312 3.349 162 HB VAL 21 HB VAL 21 3.424 10.602 5.065 163 HG11 VAL 21 1HG1 VAL 21 5.684 9.667 4.628 164 HG12 VAL 21 2HG1 VAL 21 4.951 8.278 3.822 165 HG13 VAL 21 3HG1 VAL 21 4.680 8.540 5.545 166 HG21 VAL 21 1HG2 VAL 21 3.872 9.988 2.119 167 HG22 VAL 21 2HG2 VAL 21 4.616 11.311 3.022 168 HG23 VAL 21 3HG2 VAL 21 2.871 11.292 2.761 169 H VAL 22 H VAL 22 1.989 6.502 4.446 170 HA VAL 22 HA VAL 22 0.926 6.474 7.135 171 HB VAL 22 HB VAL 22 1.700 4.069 5.411 172 HG11 VAL 22 1HG1 VAL 22 -0.287 4.306 7.702 173 HG12 VAL 22 2HG1 VAL 22 1.286 3.509 7.763 174 HG13 VAL 22 3HG1 VAL 22 0.006 2.849 6.746 175 HG21 VAL 22 1HG2 VAL 22 0.156 5.504 4.119 176 HG22 VAL 22 2HG2 VAL 22 -0.994 5.489 5.454 177 HG23 VAL 22 3HG2 VAL 22 -0.625 3.993 4.591 178 H GLY 23 H GLY 23 2.068 6.047 8.987 179 HA2 GLY 23 1HA GLY 23 4.880 6.289 9.079 180 HA3 GLY 23 2HA GLY 23 3.839 5.835 10.420 181 H LEU 24 H LEU 24 6.504 4.796 9.124 182 HA LEU 24 HA LEU 24 6.147 2.266 7.983 183 HB2 LEU 24 1HB LEU 24 8.573 3.139 9.601 184 HB3 LEU 24 2HB LEU 24 8.529 1.884 8.374 185 HG LEU 24 HG LEU 24 8.227 4.877 7.879 186 HD11 LEU 24 1HD1 LEU 24 10.396 4.716 6.749 187 HD12 LEU 24 2HD1 LEU 24 10.509 3.010 7.191 188 HD13 LEU 24 3HD1 LEU 24 10.507 4.252 8.446 189 HD21 LEU 24 1HD2 LEU 24 8.322 4.330 5.463 190 HD22 LEU 24 2HD2 LEU 24 6.869 3.715 6.237 191 HD23 LEU 24 3HD2 LEU 24 8.196 2.613 5.856 192 H ASN 25 H ASN 25 6.277 3.188 11.362 193 HA ASN 25 HA ASN 25 6.663 0.666 12.604 194 HB2 ASN 25 1HB ASN 25 6.924 2.789 13.805 195 HB3 ASN 25 2HB ASN 25 5.245 3.203 13.527 196 HD21 ASN 25 1HD2 ASN 25 5.922 1.976 17.041 197 HD22 ASN 25 2HD2 ASN 25 6.770 3.056 16.001 198 H ILE 26 H ILE 26 3.763 2.324 11.419 199 HA ILE 26 HA ILE 26 2.016 0.232 12.542 200 HB ILE 26 HB ILE 26 0.130 1.740 12.237 201 HG12 ILE 26 1HG1 ILE 26 2.083 3.724 10.956 202 HG13 ILE 26 2HG1 ILE 26 0.849 2.812 10.106 203 HG21 ILE 26 1HG2 ILE 26 2.488 3.196 13.508 204 HG22 ILE 26 2HG2 ILE 26 1.457 2.004 14.300 205 HG23 ILE 26 3HG2 ILE 26 0.783 3.555 13.801 206 HD11 ILE 26 1HD1 ILE 26 0.328 4.923 12.191 207 HD12 ILE 26 2HD1 ILE 26 -0.891 4.013 11.296 208 HD13 ILE 26 3HD1 ILE 26 0.187 5.112 10.442 209 H ILE 27 H ILE 27 3.415 1.180 9.529 210 HA ILE 27 HA ILE 27 1.567 -0.009 7.726 211 HB ILE 27 HB ILE 27 4.615 0.184 7.483 212 HG12 ILE 27 1HG1 ILE 27 2.411 1.884 6.235 213 HG13 ILE 27 2HG1 ILE 27 3.539 2.394 7.481 214 HG21 ILE 27 1HG2 ILE 27 2.599 -0.595 5.338 215 HG22 ILE 27 2HG2 ILE 27 3.772 -1.674 6.095 216 HG23 ILE 27 3HG2 ILE 27 4.329 -0.347 5.077 217 HD11 ILE 27 1HD1 ILE 27 4.217 1.731 4.614 218 HD12 ILE 27 2HD1 ILE 27 5.393 2.148 5.864 219 HD13 ILE 27 3HD1 ILE 27 4.179 3.326 5.368 220 H ASP 28 H ASP 28 0.825 -2.006 8.035 221 HA ASP 28 HA ASP 28 2.454 -4.044 9.399 222 HB2 ASP 28 1HB ASP 28 0.178 -3.390 10.247 223 HB3 ASP 28 2HB ASP 28 -0.527 -3.999 8.763 224 H ARG 29 H ARG 29 0.418 -3.562 6.520 225 HA ARG 29 HA ARG 29 1.771 -5.768 5.083 226 HB2 ARG 29 1HB ARG 29 -0.385 -6.560 6.271 227 HB3 ARG 29 2HB ARG 29 -1.269 -5.461 5.226 228 HG2 ARG 29 1HG ARG 29 -1.517 -7.557 4.194 229 HG3 ARG 29 2HG ARG 29 -0.242 -6.782 3.251 230 HD2 ARG 29 1HD ARG 29 0.272 -9.139 3.720 231 HD3 ARG 29 2HD ARG 29 1.454 -8.074 4.490 232 HE ARG 29 HE ARG 29 -0.225 -8.409 6.513 233 HH11 ARG 29 1HH1 ARG 29 0.985 -10.917 4.334 234 HH12 ARG 29 2HH1 ARG 29 0.847 -12.166 5.535 235 HH21 ARG 29 1HH2 ARG 29 -0.368 -10.043 8.048 236 HH22 ARG 29 2HH2 ARG 29 0.083 -11.671 7.635 237 H ILE 30 H ILE 30 2.370 -4.945 3.121 238 HA ILE 30 HA ILE 30 0.680 -2.931 1.727 239 HB ILE 30 HB ILE 30 3.675 -3.520 1.373 240 HG12 ILE 30 1HG1 ILE 30 2.272 -1.039 2.446 241 HG13 ILE 30 2HG1 ILE 30 3.214 -2.187 3.385 242 HG21 ILE 30 1HG2 ILE 30 1.980 -1.492 -0.136 243 HG22 ILE 30 2HG2 ILE 30 2.646 -2.982 -0.808 244 HG23 ILE 30 3HG2 ILE 30 3.727 -1.691 -0.285 245 HD11 ILE 30 1HD1 ILE 30 5.237 -1.517 2.158 246 HD12 ILE 30 2HD1 ILE 30 4.472 -0.170 2.997 247 HD13 ILE 30 3HD1 ILE 30 4.285 -0.334 1.252 248 H GLN 31 H GLN 31 -0.672 -4.208 0.469 249 HA GLN 31 HA GLN 31 0.475 -6.449 -1.045 250 HB2 GLN 31 1HB GLN 31 -1.620 -6.892 0.196 251 HB3 GLN 31 2HB GLN 31 -2.434 -5.617 -0.703 252 HG2 GLN 31 1HG GLN 31 -2.243 -6.880 -2.777 253 HG3 GLN 31 2HG GLN 31 -1.252 -8.106 -1.993 254 HE21 GLN 31 1HE2 GLN 31 -4.350 -9.070 -0.032 255 HE22 GLN 31 2HE2 GLN 31 -2.897 -8.264 0.429 256 H VAL 32 H VAL 32 1.223 -6.054 -2.974 257 HA VAL 32 HA VAL 32 0.267 -3.858 -4.633 258 HB VAL 32 HB VAL 32 1.959 -4.598 -6.301 259 HG11 VAL 32 1HG1 VAL 32 3.111 -4.304 -3.500 260 HG12 VAL 32 2HG1 VAL 32 2.610 -2.988 -4.562 261 HG13 VAL 32 3HG1 VAL 32 3.978 -4.008 -5.010 262 HG21 VAL 32 1HG2 VAL 32 3.592 -6.381 -5.823 263 HG22 VAL 32 2HG2 VAL 32 1.959 -7.043 -5.877 264 HG23 VAL 32 3HG2 VAL 32 2.752 -6.783 -4.324 265 H THR 33 H THR 33 -1.220 -4.059 -6.163 266 HA THR 33 HA THR 33 -2.359 -6.717 -6.765 267 HB THR 33 HB THR 33 -3.901 -4.163 -6.150 268 HG1 THR 33 1HG THR 33 -4.319 -5.050 -4.214 269 HG21 THR 33 1HG2 THR 33 -5.933 -5.564 -6.244 270 HG22 THR 33 2HG2 THR 33 -4.959 -6.954 -6.740 271 HG23 THR 33 3HG2 THR 33 -5.105 -5.550 -7.801 272 HA PRO 34 HA PRO 34 -1.593 -4.942 -10.998 273 HB2 PRO 34 2HB PRO 34 -1.520 -7.890 -11.582 274 HB3 PRO 34 1HB PRO 34 -0.379 -6.618 -12.065 275 HG2 PRO 34 2HG PRO 34 0.289 -8.392 -10.187 276 HG3 PRO 34 1HG PRO 34 0.782 -6.687 -10.048 277 HD2 PRO 34 2HD PRO 34 -1.491 -8.111 -8.664 278 HD3 PRO 34 1HD PRO 34 -0.309 -6.960 -7.996 279 HA PRO 35 HA PRO 35 -5.886 -5.481 -12.182 280 HB2 PRO 35 2HB PRO 35 -5.840 -4.827 -14.827 281 HB3 PRO 35 1HB PRO 35 -5.507 -3.624 -13.566 282 HG2 PRO 35 2HG PRO 35 -3.550 -5.150 -15.260 283 HG3 PRO 35 1HG PRO 35 -3.566 -3.420 -14.846 284 HD2 PRO 35 2HD PRO 35 -1.992 -5.229 -13.529 285 HD3 PRO 35 1HD PRO 35 -2.638 -3.769 -12.749 286 H GLY 36 H GLY 36 -7.345 -6.675 -13.633 287 HA2 GLY 36 1HA GLY 36 -6.648 -8.749 -15.394 288 HA3 GLY 36 2HA GLY 36 -6.773 -9.438 -13.775 289 H ASN 37 H ASN 37 -8.533 -10.651 -15.007 290 HA ASN 37 HA ASN 37 -11.012 -9.474 -15.672 291 HB2 ASN 37 1HB ASN 37 -10.293 -11.817 -16.260 292 HB3 ASN 37 2HB ASN 37 -10.516 -12.283 -14.579 293 HD21 ASN 37 1HD2 ASN 37 -14.014 -12.626 -14.844 294 HD22 ASN 37 2HD2 ASN 37 -12.642 -12.555 -13.798 295 H GLY 38 H GLY 38 -9.603 -10.387 -12.587 296 HA2 GLY 38 1HA GLY 38 -11.991 -9.851 -11.016 297 HA3 GLY 38 2HA GLY 38 -10.387 -10.241 -10.416 298 H CYS 39 H CYS 39 -8.687 -8.455 -10.921 299 HA CYS 39 HA CYS 39 -9.551 -6.159 -9.468 300 HB2 CYS 39 2HB CYS 39 -6.889 -6.693 -10.828 301 HB3 CYS 39 1HB CYS 39 -7.200 -5.417 -9.653 302 HA PRO 40 HA PRO 40 -10.830 -3.969 -13.235 303 HB2 PRO 40 2HB PRO 40 -11.909 -1.742 -12.119 304 HB3 PRO 40 1HB PRO 40 -12.683 -3.333 -11.956 305 HG2 PRO 40 2HG PRO 40 -10.935 -1.895 -9.976 306 HG3 PRO 40 1HG PRO 40 -12.485 -2.725 -9.703 307 HD2 PRO 40 2HD PRO 40 -10.070 -3.905 -9.171 308 HD3 PRO 40 1HD PRO 40 -11.504 -4.839 -9.662 309 H LYS 41 H LYS 41 -8.466 -2.903 -10.999 310 HA LYS 41 HA LYS 41 -7.171 -1.115 -12.908 311 HB2 LYS 41 1HB LYS 41 -6.988 0.716 -11.214 312 HB3 LYS 41 2HB LYS 41 -8.652 0.435 -11.704 313 HG2 LYS 41 1HG LYS 41 -9.096 -0.822 -9.645 314 HG3 LYS 41 2HG LYS 41 -7.420 -0.643 -9.134 315 HD2 LYS 41 1HD LYS 41 -9.279 1.724 -9.580 316 HD3 LYS 41 2HD LYS 41 -9.116 0.914 -8.024 317 HE2 LYS 41 1HE LYS 41 -6.681 1.483 -8.024 318 HE3 LYS 41 2HE LYS 41 -6.911 2.371 -9.530 319 HZ1 LYS 41 1HZ LYS 41 -8.473 3.828 -8.401 320 HZ2 LYS 41 2HZ LYS 41 -6.968 3.853 -7.633 321 HZ3 LYS 41 3HZ LYS 41 -8.245 2.985 -6.951 322 H THR 42 H THR 42 -4.987 -0.451 -12.088 323 HA THR 42 HA THR 42 -3.681 -2.402 -10.365 324 HB THR 42 HB THR 42 -2.458 0.145 -11.519 325 HG1 THR 42 1HG THR 42 -3.441 -1.770 -12.940 326 HG21 THR 42 1HG2 THR 42 -1.160 -2.477 -10.669 327 HG22 THR 42 2HG2 THR 42 -1.144 -0.995 -9.713 328 HG23 THR 42 3HG2 THR 42 -0.318 -1.056 -11.278 329 H GLU 43 H GLU 43 -3.347 -2.092 -8.244 330 HA GLU 43 HA GLU 43 -3.698 0.480 -6.892 331 HB2 GLU 43 1HB GLU 43 -5.492 -0.630 -5.379 332 HB3 GLU 43 2HB GLU 43 -6.009 -0.145 -6.993 333 HG2 GLU 43 1HG GLU 43 -5.879 -2.428 -7.793 334 HG3 GLU 43 2HG GLU 43 -5.169 -2.964 -6.278 335 H VAL 44 H VAL 44 -3.059 0.356 -4.631 336 HA VAL 44 HA VAL 44 -1.619 -2.098 -3.800 337 HB VAL 44 HB VAL 44 -0.578 0.760 -3.379 338 HG11 VAL 44 1HG1 VAL 44 -0.003 -0.678 -1.495 339 HG12 VAL 44 2HG1 VAL 44 1.446 -0.363 -2.446 340 HG13 VAL 44 3HG1 VAL 44 0.628 -1.917 -2.584 341 HG21 VAL 44 1HG2 VAL 44 1.297 0.157 -4.884 342 HG22 VAL 44 2HG2 VAL 44 -0.250 0.079 -5.724 343 HG23 VAL 44 3HG2 VAL 44 0.544 -1.405 -5.206 344 H VAL 45 H VAL 45 -2.740 -2.812 -2.056 345 HA VAL 45 HA VAL 45 -4.249 -0.895 -0.408 346 HB VAL 45 HB VAL 45 -4.501 -3.938 -0.429 347 HG11 VAL 45 1HG1 VAL 45 -6.668 -3.542 0.698 348 HG12 VAL 45 2HG1 VAL 45 -6.338 -1.808 0.725 349 HG13 VAL 45 3HG1 VAL 45 -5.319 -2.915 1.650 350 HG21 VAL 45 1HG2 VAL 45 -6.546 -3.634 -1.804 351 HG22 VAL 45 2HG2 VAL 45 -5.107 -3.073 -2.655 352 HG23 VAL 45 3HG2 VAL 45 -6.209 -1.906 -1.923 353 H ILE 46 H ILE 46 -3.080 -0.149 1.254 354 HA ILE 46 HA ILE 46 -1.228 -1.856 2.768 355 HB ILE 46 HB ILE 46 -1.788 1.138 3.056 356 HG12 ILE 46 1HG1 ILE 46 0.546 -0.296 1.714 357 HG13 ILE 46 2HG1 ILE 46 -0.692 0.657 0.907 358 HG21 ILE 46 1HG2 ILE 46 -1.015 0.152 5.187 359 HG22 ILE 46 2HG2 ILE 46 0.223 1.207 4.507 360 HG23 ILE 46 3HG2 ILE 46 0.388 -0.543 4.368 361 HD11 ILE 46 1HD1 ILE 46 1.412 1.707 2.799 362 HD12 ILE 46 2HD1 ILE 46 0.134 2.671 2.051 363 HD13 ILE 46 3HD1 ILE 46 1.350 1.892 1.052 364 H TRP 47 H TRP 47 -2.160 -3.003 4.417 365 HA TRP 47 HA TRP 47 -4.280 -1.829 6.085 366 HB2 TRP 47 2HB TRP 47 -2.892 -4.549 6.155 367 HB3 TRP 47 1HB TRP 47 -4.098 -4.040 7.336 368 HD1 TRP 47 1HD TRP 47 -6.648 -3.894 6.512 369 HE1 TRP 47 1HE TRP 47 -7.870 -4.980 4.529 370 HE3 TRP 47 3HE TRP 47 -2.609 -5.247 3.674 371 HZ2 TRP 47 2HZ TRP 47 -7.237 -6.249 2.111 372 HZ3 TRP 47 3HZ TRP 47 -3.007 -6.403 1.539 373 HH2 TRP 47 2HH TRP 47 -5.276 -6.892 0.769 374 H THR 48 H THR 48 -3.865 -0.864 8.004 375 HA THR 48 HA THR 48 -1.132 -0.781 9.086 376 HB THR 48 HB THR 48 -2.078 0.769 10.805 377 HG1 THR 48 1HG THR 48 -4.352 1.492 10.188 378 HG21 THR 48 1HG2 THR 48 -2.630 2.652 9.319 379 HG22 THR 48 2HG2 THR 48 -2.878 1.539 7.971 380 HG23 THR 48 3HG2 THR 48 -1.270 1.729 8.677 381 H LYS 49 H LYS 49 -0.883 -1.154 11.524 382 HA LYS 49 HA LYS 49 -1.662 -3.738 12.351 383 HB2 LYS 49 1HB LYS 49 -0.578 -1.406 13.994 384 HB3 LYS 49 2HB LYS 49 -0.800 -3.033 14.637 385 HG2 LYS 49 1HG LYS 49 0.768 -3.862 12.837 386 HG3 LYS 49 2HG LYS 49 1.106 -2.173 12.445 387 HD2 LYS 49 1HD LYS 49 1.978 -1.798 14.710 388 HD3 LYS 49 2HD LYS 49 1.550 -3.449 15.173 389 HE2 LYS 49 1HE LYS 49 3.633 -2.616 13.129 390 HE3 LYS 49 2HE LYS 49 3.929 -3.347 14.706 391 HZ1 LYS 49 1HZ LYS 49 4.103 -4.953 12.889 392 HZ2 LYS 49 2HZ LYS 49 2.493 -4.666 12.464 393 HZ3 LYS 49 3HZ LYS 49 2.858 -5.359 13.959 394 H MET 50 H MET 50 -3.137 -0.629 12.753 395 HA MET 50 HA MET 50 -5.138 -1.382 14.704 396 HB2 MET 50 1HB MET 50 -4.823 1.076 12.930 397 HB3 MET 50 2HB MET 50 -6.030 0.921 14.201 398 HG2 MET 50 1HG MET 50 -4.338 0.895 15.912 399 HG3 MET 50 2HG MET 50 -3.051 0.747 14.718 400 HE1 MET 50 1HE MET 50 -3.810 2.829 12.471 401 HE2 MET 50 2HE MET 50 -2.195 2.720 13.182 402 HE3 MET 50 3HE MET 50 -3.007 4.280 13.064 403 H LYS 51 H LYS 51 -4.739 -2.219 11.576 404 HA LYS 51 HA LYS 51 -5.905 -3.331 10.049 405 HB2 LYS 51 1HB LYS 51 -8.138 -3.418 12.109 406 HB3 LYS 51 2HB LYS 51 -8.082 -4.376 10.634 407 HG2 LYS 51 1HG LYS 51 -5.890 -5.361 11.516 408 HG3 LYS 51 2HG LYS 51 -6.279 -4.595 13.060 409 HD2 LYS 51 1HD LYS 51 -8.412 -5.880 13.144 410 HD3 LYS 51 2HD LYS 51 -8.004 -6.653 11.609 411 HE2 LYS 51 1HE LYS 51 -6.582 -6.964 14.270 412 HE3 LYS 51 2HE LYS 51 -7.453 -8.200 13.367 413 HZ1 LYS 51 1HZ LYS 51 -5.149 -8.550 13.043 414 HZ2 LYS 51 2HZ LYS 51 -4.868 -6.937 12.650 415 HZ3 LYS 51 3HZ LYS 51 -5.739 -7.923 11.588 416 H LYS 52 H LYS 52 -5.979 -0.437 10.100 417 HA LYS 52 HA LYS 52 -8.461 0.284 8.773 418 HB2 LYS 52 1HB LYS 52 -5.875 1.786 9.316 419 HB3 LYS 52 2HB LYS 52 -6.991 2.392 8.097 420 HG2 LYS 52 1HG LYS 52 -7.377 3.553 10.180 421 HG3 LYS 52 2HG LYS 52 -8.774 2.543 9.810 422 HD2 LYS 52 1HD LYS 52 -7.947 0.847 11.437 423 HD3 LYS 52 2HD LYS 52 -6.582 1.897 11.822 424 HE2 LYS 52 1HE LYS 52 -8.100 3.600 12.706 425 HE3 LYS 52 2HE LYS 52 -9.501 2.644 12.214 426 HZ1 LYS 52 1HZ LYS 52 -9.070 2.380 14.554 427 HZ2 LYS 52 2HZ LYS 52 -7.488 1.873 14.260 428 HZ3 LYS 52 3HZ LYS 52 -8.789 0.910 13.766 429 H VAL 53 H VAL 53 -8.892 -0.193 6.767 430 HA VAL 53 HA VAL 53 -6.946 -1.221 4.892 431 HB VAL 53 HB VAL 53 -9.881 -0.592 4.329 432 HG11 VAL 53 1HG1 VAL 53 -7.962 -2.513 2.972 433 HG12 VAL 53 2HG1 VAL 53 -8.490 -0.952 2.335 434 HG13 VAL 53 3HG1 VAL 53 -9.652 -2.263 2.538 435 HG21 VAL 53 1HG2 VAL 53 -10.427 -2.939 4.849 436 HG22 VAL 53 2HG2 VAL 53 -9.802 -2.100 6.271 437 HG23 VAL 53 3HG2 VAL 53 -8.770 -3.214 5.380 438 H ILE 54 H ILE 54 -5.659 0.310 4.067 439 HA ILE 54 HA ILE 54 -6.748 2.857 3.015 440 HB ILE 54 HB ILE 54 -3.884 2.101 3.808 441 HG12 ILE 54 1HG1 ILE 54 -5.820 4.052 5.145 442 HG13 ILE 54 2HG1 ILE 54 -5.404 2.458 5.761 443 HG21 ILE 54 1HG2 ILE 54 -3.855 3.651 1.899 444 HG22 ILE 54 2HG2 ILE 54 -3.280 4.460 3.358 445 HG23 ILE 54 3HG2 ILE 54 -4.915 4.755 2.773 446 HD11 ILE 54 1HD1 ILE 54 -3.558 4.836 5.523 447 HD12 ILE 54 2HD1 ILE 54 -3.067 3.221 6.042 448 HD13 ILE 54 3HD1 ILE 54 -4.231 4.137 6.995 449 H CYS 55 H CYS 55 -6.676 3.108 0.784 450 HA CYS 55 HA CYS 55 -4.925 1.294 -0.781 451 HB2 CYS 55 2HB CYS 55 -7.264 1.141 -1.510 452 HB3 CYS 55 1HB CYS 55 -7.328 2.885 -1.773 453 H VAL 56 H VAL 56 -3.535 2.145 -2.239 454 HA VAL 56 HA VAL 56 -3.204 5.019 -2.613 455 HB VAL 56 HB VAL 56 -0.675 4.779 -2.185 456 HG11 VAL 56 1HG1 VAL 56 -2.016 6.033 -0.594 457 HG12 VAL 56 2HG1 VAL 56 -0.836 5.061 0.286 458 HG13 VAL 56 3HG1 VAL 56 -2.519 4.548 0.217 459 HG21 VAL 56 1HG2 VAL 56 0.113 2.987 -0.704 460 HG22 VAL 56 2HG2 VAL 56 -0.589 2.293 -2.168 461 HG23 VAL 56 3HG2 VAL 56 -1.502 2.275 -0.663 462 H ASN 57 H ASN 57 -1.816 5.463 -4.479 463 HA ASN 57 HA ASN 57 -1.943 3.322 -6.488 464 HB2 ASN 57 1HB ASN 57 -1.465 5.166 -8.140 465 HB3 ASN 57 2HB ASN 57 -2.939 5.397 -7.214 466 HD21 ASN 57 1HD2 ASN 57 -1.831 8.727 -6.990 467 HD22 ASN 57 2HD2 ASN 57 -2.908 7.613 -7.758 468 HA PRO 58 HA PRO 58 2.509 2.567 -6.338 469 HB2 PRO 58 2HB PRO 58 2.992 1.608 -8.858 470 HB3 PRO 58 1HB PRO 58 2.096 0.678 -7.638 471 HG2 PRO 58 2HG PRO 58 0.999 2.345 -9.886 472 HG3 PRO 58 1HG PRO 58 0.540 0.708 -9.378 473 HD2 PRO 58 2HD PRO 58 -0.914 2.873 -8.647 474 HD3 PRO 58 1HD PRO 58 -0.728 1.471 -7.574 475 H ARG 59 H ARG 59 1.111 5.006 -8.221 476 HA ARG 59 HA ARG 59 3.469 6.056 -9.503 477 HB2 ARG 59 1HB ARG 59 1.086 6.327 -10.354 478 HB3 ARG 59 2HB ARG 59 0.792 7.446 -9.027 479 HG2 ARG 59 1HG ARG 59 2.570 8.941 -9.918 480 HG3 ARG 59 2HG ARG 59 2.829 7.818 -11.252 481 HD2 ARG 59 1HD ARG 59 0.431 8.205 -11.943 482 HD3 ARG 59 2HD ARG 59 0.333 9.445 -10.688 483 HE ARG 59 HE ARG 59 2.189 10.602 -11.893 484 HH11 ARG 59 1HH1 ARG 59 0.122 8.392 -13.698 485 HH12 ARG 59 2HH1 ARG 59 0.413 9.173 -15.220 486 HH21 ARG 59 1HH2 ARG 59 2.554 11.618 -13.892 487 HH22 ARG 59 2HH2 ARG 59 1.790 11.001 -15.329 488 H ALA 60 H ALA 60 1.934 6.385 -6.389 489 HA ALA 60 HA ALA 60 2.837 8.886 -5.508 490 HB1 ALA 60 1HB ALA 60 1.167 7.552 -4.276 491 HB2 ALA 60 2HB ALA 60 2.512 7.986 -3.218 492 HB3 ALA 60 3HB ALA 60 2.402 6.354 -3.881 493 H LYS 61 H LYS 61 4.857 9.637 -5.119 494 HA LYS 61 HA LYS 61 7.088 8.127 -5.910 495 HB2 LYS 61 1HB LYS 61 6.978 10.543 -6.319 496 HB3 LYS 61 2HB LYS 61 6.923 10.865 -4.593 497 HG2 LYS 61 1HG LYS 61 9.124 11.414 -5.221 498 HG3 LYS 61 2HG LYS 61 9.277 9.830 -4.470 499 HD2 LYS 61 1HD LYS 61 9.411 8.791 -6.733 500 HD3 LYS 61 2HD LYS 61 9.230 10.385 -7.468 501 HE2 LYS 61 1HE LYS 61 11.525 9.414 -5.734 502 HE3 LYS 61 2HE LYS 61 11.572 9.728 -7.467 503 HZ1 LYS 61 1HZ LYS 61 12.536 11.576 -6.411 504 HZ2 LYS 61 2HZ LYS 61 11.292 11.700 -5.276 505 HZ3 LYS 61 3HZ LYS 61 11.001 12.086 -6.892 506 H TRP 62 H TRP 62 6.070 9.275 -2.702 507 HA TRP 62 HA TRP 62 8.247 8.394 -1.166 508 HB2 TRP 62 2HB TRP 62 6.784 8.622 0.786 509 HB3 TRP 62 1HB TRP 62 6.429 9.935 -0.334 510 HD1 TRP 62 1HD TRP 62 4.034 9.723 -1.729 511 HE1 TRP 62 1HE TRP 62 1.845 8.516 -1.118 512 HE3 TRP 62 3HE TRP 62 5.761 6.651 2.003 513 HZ2 TRP 62 2HZ TRP 62 0.962 6.575 0.686 514 HZ3 TRP 62 3HZ TRP 62 4.161 5.147 3.122 515 HH2 TRP 62 2HH TRP 62 1.806 5.106 2.471 516 H LEU 63 H LEU 63 5.352 6.742 -2.287 517 HA LEU 63 HA LEU 63 5.677 4.322 -0.837 518 HB2 LEU 63 1HB LEU 63 3.490 5.071 -1.639 519 HB3 LEU 63 2HB LEU 63 4.048 4.973 -3.303 520 HG LEU 63 HG LEU 63 4.367 2.467 -2.960 521 HD11 LEU 63 1HD1 LEU 63 4.514 2.322 -0.571 522 HD12 LEU 63 2HD1 LEU 63 3.124 1.388 -1.116 523 HD13 LEU 63 3HD1 LEU 63 2.889 2.977 -0.378 524 HD21 LEU 63 1HD2 LEU 63 2.479 3.316 -4.192 525 HD22 LEU 63 2HD2 LEU 63 1.565 3.560 -2.710 526 HD23 LEU 63 3HD2 LEU 63 1.993 1.929 -3.226 527 H GLN 64 H GLN 64 6.591 5.461 -4.069 528 HA GLN 64 HA GLN 64 7.389 3.023 -5.218 529 HB2 GLN 64 1HB GLN 64 7.024 5.369 -6.314 530 HB3 GLN 64 2HB GLN 64 8.689 5.704 -5.877 531 HG2 GLN 64 1HG GLN 64 7.819 3.387 -7.640 532 HG3 GLN 64 2HG GLN 64 8.320 4.952 -8.264 533 HE21 GLN 64 1HE2 GLN 64 11.130 2.377 -8.222 534 HE22 GLN 64 2HE2 GLN 64 9.467 2.241 -8.669 535 H ARG 65 H ARG 65 9.044 5.336 -3.124 536 HA ARG 65 HA ARG 65 11.676 4.340 -3.183 537 HB2 ARG 65 1HB ARG 65 10.230 5.631 -0.828 538 HB3 ARG 65 2HB ARG 65 11.974 5.450 -0.988 539 HG2 ARG 65 1HG ARG 65 11.867 6.922 -3.031 540 HG3 ARG 65 2HG ARG 65 10.166 7.211 -2.667 541 HD2 ARG 65 1HD ARG 65 11.548 9.041 -1.816 542 HD3 ARG 65 2HD ARG 65 10.795 8.165 -0.477 543 HE ARG 65 HE ARG 65 13.474 7.303 -1.215 544 HH11 ARG 65 1HH1 ARG 65 11.586 9.338 0.980 545 HH12 ARG 65 2HH1 ARG 65 12.866 9.448 2.147 546 HH21 ARG 65 1HH2 ARG 65 15.103 7.445 0.333 547 HH22 ARG 65 2HH2 ARG 65 14.857 8.373 1.776 548 H LEU 66 H LEU 66 8.850 3.433 -1.258 549 HA LEU 66 HA LEU 66 10.130 1.523 0.444 550 HB2 LEU 66 1HB LEU 66 7.173 1.761 -0.271 551 HB3 LEU 66 2HB LEU 66 7.830 0.846 1.077 552 HG LEU 66 HG LEU 66 7.847 3.882 0.797 553 HD11 LEU 66 1HD1 LEU 66 6.292 3.877 2.686 554 HD12 LEU 66 2HD1 LEU 66 6.284 2.112 2.693 555 HD13 LEU 66 3HD1 LEU 66 5.634 2.993 1.311 556 HD21 LEU 66 1HD2 LEU 66 8.707 3.896 3.141 557 HD22 LEU 66 2HD2 LEU 66 9.860 3.304 1.957 558 HD23 LEU 66 3HD2 LEU 66 9.010 2.165 3.003 559 H LEU 67 H LEU 67 8.073 1.231 -2.459 560 HA LEU 67 HA LEU 67 8.120 -1.575 -2.760 561 HB2 LEU 67 1HB LEU 67 7.770 0.549 -4.910 562 HB3 LEU 67 2HB LEU 67 7.337 -1.145 -5.078 563 HG LEU 67 HG LEU 67 6.019 0.837 -3.178 564 HD11 LEU 67 1HD1 LEU 67 4.935 -0.387 -5.729 565 HD12 LEU 67 2HD1 LEU 67 5.433 1.290 -5.498 566 HD13 LEU 67 3HD1 LEU 67 4.045 0.659 -4.617 567 HD21 LEU 67 1HD2 LEU 67 5.315 -2.076 -3.674 568 HD22 LEU 67 2HD2 LEU 67 4.354 -0.934 -2.731 569 HD23 LEU 67 3HD2 LEU 67 5.964 -1.385 -2.183 570 H ARG 68 H ARG 68 10.418 0.861 -3.581 571 HA ARG 68 HA ARG 68 12.082 -0.640 -5.385 572 HB2 ARG 68 1HB ARG 68 11.990 1.819 -5.445 573 HB3 ARG 68 2HB ARG 68 12.543 1.913 -3.780 574 HG2 ARG 68 1HG ARG 68 14.733 0.961 -4.491 575 HG3 ARG 68 2HG ARG 68 14.162 0.961 -6.159 576 HD2 ARG 68 1HD ARG 68 14.494 3.416 -4.399 577 HD3 ARG 68 2HD ARG 68 15.592 2.912 -5.683 578 HE ARG 68 HE ARG 68 12.799 3.472 -6.406 579 HH11 ARG 68 1HH1 ARG 68 16.149 4.603 -6.443 580 HH12 ARG 68 2HH1 ARG 68 15.842 5.815 -7.657 581 HH21 ARG 68 1HH2 ARG 68 12.426 5.068 -7.989 582 HH22 ARG 68 2HH2 ARG 68 13.740 6.076 -8.529 583 H HIS 69 H HIS 69 12.314 0.330 -1.923 584 HA HIS 69 HA HIS 69 14.917 -0.959 -1.693 585 HB2 HIS 69 1HB HIS 69 14.479 1.305 -0.721 586 HB3 HIS 69 2HB HIS 69 13.363 0.578 0.432 587 HD1 HIS 69 HD1 HIS 69 14.361 -0.407 2.526 588 HD2 HIS 69 HD2 HIS 69 17.253 0.444 -0.344 589 HE1 HIS 69 HE1 HIS 69 16.564 -0.872 3.622 590 HE2 HIS 69 HE2 HIS 69 18.281 -0.504 1.821 591 H VAL 70 H VAL 70 11.631 -1.826 -0.857 592 HA VAL 70 HA VAL 70 12.203 -3.714 1.209 593 HB VAL 70 HB VAL 70 10.012 -4.799 0.702 594 HG11 VAL 70 1HG1 VAL 70 10.031 -2.916 2.250 595 HG12 VAL 70 2HG1 VAL 70 8.546 -2.905 1.301 596 HG13 VAL 70 3HG1 VAL 70 9.845 -1.774 0.918 597 HG21 VAL 70 1HG2 VAL 70 9.957 -4.527 -1.742 598 HG22 VAL 70 2HG2 VAL 70 9.766 -2.786 -1.561 599 HG23 VAL 70 3HG2 VAL 70 8.493 -3.874 -1.006 600 H GLN 71 H GLN 71 12.309 -3.872 -2.287 601 HA GLN 71 HA GLN 71 12.714 -6.665 -2.644 602 HB2 GLN 71 1HB GLN 71 12.119 -5.077 -4.476 603 HB3 GLN 71 2HB GLN 71 13.699 -4.316 -4.324 604 HG2 GLN 71 1HG GLN 71 14.811 -6.282 -5.147 605 HG3 GLN 71 2HG GLN 71 13.343 -7.238 -5.030 606 HE21 GLN 71 1HE2 GLN 71 13.177 -4.512 -8.090 607 HE22 GLN 71 2HE2 GLN 71 13.527 -3.978 -6.491 608 H SER 72 H SER 72 14.754 -7.776 -3.065 609 HA SER 72 HA SER 72 16.516 -7.675 -0.969 610 HB2 SER 72 1HB SER 72 16.188 -9.677 -2.375 611 HB3 SER 72 2HB SER 72 17.020 -8.890 -3.715 612 HG SER 72 HG SER 72 18.082 -10.340 -1.798 613 H LYS 73 H LYS 73 17.301 -5.629 -0.618 614 HA LYS 73 HA LYS 73 19.621 -4.749 -2.234 615 HB2 LYS 73 1HB LYS 73 17.549 -2.884 -0.966 616 HB3 LYS 73 2HB LYS 73 19.028 -2.374 -1.767 617 HG2 LYS 73 1HG LYS 73 18.032 -3.559 -3.880 618 HG3 LYS 73 2HG LYS 73 16.507 -3.505 -2.994 619 HD2 LYS 73 1HD LYS 73 16.631 -1.576 -4.463 620 HD3 LYS 73 2HD LYS 73 16.751 -1.023 -2.790 621 HE2 LYS 73 1HE LYS 73 18.356 0.162 -4.224 622 HE3 LYS 73 2HE LYS 73 19.212 -0.828 -3.041 623 HZ1 LYS 73 1HZ LYS 73 18.718 -1.575 -5.879 624 HZ2 LYS 73 2HZ LYS 73 19.587 -2.492 -4.753 625 HZ3 LYS 73 3HZ LYS 73 20.178 -0.992 -5.264 626 H SER 74 H SER 74 20.898 -3.075 -0.921 627 HA SER 74 HA SER 74 21.313 -4.062 1.835 628 HB2 SER 74 1HB SER 74 23.265 -4.197 0.321 629 HB3 SER 74 2HB SER 74 23.151 -2.472 -0.022 630 HG SER 74 HG SER 74 24.718 -2.844 1.553 631 H LEU 75 H LEU 75 21.960 -2.386 3.444 632 HA LEU 75 HA LEU 75 21.484 0.385 3.024 633 HB2 LEU 75 1HB LEU 75 19.593 0.797 4.494 634 HB3 LEU 75 2HB LEU 75 19.110 -0.291 3.222 635 HG LEU 75 HG LEU 75 17.933 -1.043 5.109 636 HD11 LEU 75 1HD1 LEU 75 18.896 -2.954 3.965 637 HD12 LEU 75 2HD1 LEU 75 18.755 -3.286 5.692 638 HD13 LEU 75 3HD1 LEU 75 20.326 -2.890 4.994 639 HD21 LEU 75 1HD2 LEU 75 19.041 0.238 6.857 640 HD22 LEU 75 2HD2 LEU 75 20.413 -0.873 6.842 641 HD23 LEU 75 3HD2 LEU 75 18.823 -1.440 7.356 642 H SER 76 H SER 76 22.235 1.655 4.736 643 HA SER 76 HA SER 76 23.600 0.259 6.957 644 HB2 SER 76 1HB SER 76 24.664 2.534 7.331 645 HB3 SER 76 2HB SER 76 25.046 1.823 5.764 646 HG SER 76 HG SER 76 24.403 3.718 5.086 647 H SER 77 H SER 77 22.823 0.461 9.015 648 HA SER 77 HA SER 77 20.297 1.750 9.521 649 HB2 SER 77 1HB SER 77 20.717 0.965 11.895 650 HB3 SER 77 2HB SER 77 20.777 -0.320 10.690 651 HG SER 77 HG SER 77 22.861 0.856 12.158 652 H THR 78 H THR 78 19.935 3.525 10.917 653 HA THR 78 HA THR 78 22.142 5.479 11.085 654 HB THR 78 HB THR 78 20.177 7.133 11.348 655 HG1 THR 78 1HG THR 78 18.692 5.232 11.800 656 HG21 THR 78 1HG2 THR 78 21.376 6.919 9.200 657 HG22 THR 78 2HG2 THR 78 19.650 7.156 8.919 658 HG23 THR 78 3HG2 THR 78 20.354 5.547 8.754 659 HA PRO 79 HA PRO 79 21.700 4.709 15.598 660 HB2 PRO 79 2HB PRO 79 24.156 5.564 16.373 661 HB3 PRO 79 1HB PRO 79 23.949 4.036 15.493 662 HG2 PRO 79 2HG PRO 79 24.878 6.687 14.457 663 HG3 PRO 79 1HG PRO 79 25.478 5.060 14.071 664 HD2 PRO 79 2HD PRO 79 23.690 6.504 12.486 665 HD3 PRO 79 1HD PRO 79 23.895 4.739 12.431 666 H GLN 80 H GLN 80 20.576 6.043 16.903 667 HA GLN 80 HA GLN 80 20.376 8.893 16.418 668 HB2 GLN 80 1HB GLN 80 19.174 7.363 18.778 669 HB3 GLN 80 2HB GLN 80 18.686 8.938 18.174 670 HG2 GLN 80 1HG GLN 80 16.979 7.544 17.410 671 HG3 GLN 80 2HG GLN 80 18.020 7.672 15.998 672 HE21 GLN 80 1HE2 GLN 80 17.512 4.107 17.922 673 HE22 GLN 80 2HE2 GLN 80 16.982 5.595 18.618 674 H ALA 81 H ALA 81 21.025 10.575 17.841 675 HA ALA 81 HA ALA 81 23.171 10.135 19.702 676 HB1 ALA 81 1HB ALA 81 22.988 12.257 18.449 677 HB2 ALA 81 2HB ALA 81 22.946 12.562 20.185 678 HB3 ALA 81 3HB ALA 81 21.453 12.616 19.243 679 HA PRO 82 HA PRO 82 20.058 8.571 22.564 680 HB2 PRO 82 2HB PRO 82 21.675 7.828 24.656 681 HB3 PRO 82 1HB PRO 82 21.576 6.908 23.143 682 HG2 PRO 82 2HG PRO 82 23.653 8.904 23.990 683 HG3 PRO 82 1HG PRO 82 23.870 7.319 23.207 684 HD2 PRO 82 2HD PRO 82 23.962 9.637 21.788 685 HD3 PRO 82 1HD PRO 82 23.325 8.133 21.090 686 H VAL 83 H VAL 83 18.694 9.680 23.835 687 HA VAL 83 HA VAL 83 19.219 12.199 24.935 688 HB VAL 83 HB VAL 83 16.922 11.431 24.355 689 HG11 VAL 83 1HG1 VAL 83 15.555 10.114 25.939 690 HG12 VAL 83 2HG1 VAL 83 16.998 9.769 26.892 691 HG13 VAL 83 3HG1 VAL 83 16.862 9.159 25.244 692 HG21 VAL 83 1HG2 VAL 83 17.209 13.431 25.764 693 HG22 VAL 83 2HG2 VAL 83 17.159 12.431 27.219 694 HG23 VAL 83 3HG2 VAL 83 15.728 12.572 26.193 695 H SER 84 H SER 84 20.149 12.820 26.771 696 HA SER 84 HA SER 84 20.861 10.828 28.854 697 HB2 SER 84 1HB SER 84 22.094 13.575 28.311 698 HB3 SER 84 2HB SER 84 22.688 12.367 29.456 699 HG SER 84 HG SER 84 22.370 11.606 26.774 700 H LYS 85 H LYS 85 18.461 11.147 29.314 701 HA LYS 85 HA LYS 85 17.904 13.504 31.025 702 HB2 LYS 85 1HB LYS 85 16.307 13.054 29.149 703 HB3 LYS 85 2HB LYS 85 15.965 11.465 29.825 704 HG2 LYS 85 1HG LYS 85 15.117 12.619 31.910 705 HG3 LYS 85 2HG LYS 85 15.322 14.162 31.072 706 HD2 LYS 85 1HD LYS 85 13.745 13.309 29.282 707 HD3 LYS 85 2HD LYS 85 13.472 11.881 30.282 708 HE2 LYS 85 1HE LYS 85 11.651 13.429 30.634 709 HE3 LYS 85 2HE LYS 85 12.629 13.384 32.103 710 HZ1 LYS 85 1HZ LYS 85 12.073 15.632 31.578 711 HZ2 LYS 85 2HZ LYS 85 12.670 15.485 30.005 712 HZ3 LYS 85 3HZ LYS 85 13.729 15.433 31.320 713 H ARG 86 H ARG 86 18.246 13.128 33.138 714 HA ARG 86 HA ARG 86 18.338 10.433 34.240 715 HB2 ARG 86 1HB ARG 86 18.623 13.084 35.731 716 HB3 ARG 86 2HB ARG 86 19.131 11.494 36.286 717 HG2 ARG 86 1HG ARG 86 20.363 13.100 34.028 718 HG3 ARG 86 2HG ARG 86 21.073 12.779 35.609 719 HD2 ARG 86 1HD ARG 86 21.273 10.391 35.071 720 HD3 ARG 86 2HD ARG 86 20.454 10.650 33.522 721 HE ARG 86 HE ARG 86 22.918 12.152 34.036 722 HH11 ARG 86 1HH1 ARG 86 21.406 9.476 32.309 723 HH12 ARG 86 2HH1 ARG 86 22.709 9.323 31.174 724 HH21 ARG 86 1HH2 ARG 86 24.615 11.925 32.553 725 HH22 ARG 86 2HH2 ARG 86 24.530 10.710 31.313 726 H ARG 87 H ARG 87 16.678 9.463 35.305 727 HA ARG 87 HA ARG 87 14.073 10.692 35.308 728 HB2 ARG 87 1HB ARG 87 14.465 8.252 34.815 729 HB3 ARG 87 2HB ARG 87 14.885 8.005 36.506 730 HG2 ARG 87 1HG ARG 87 12.590 8.747 37.151 731 HG3 ARG 87 2HG ARG 87 12.185 8.914 35.443 732 HD2 ARG 87 1HD ARG 87 12.535 6.505 35.107 733 HD3 ARG 87 2HD ARG 87 13.014 6.321 36.798 734 HE ARG 87 HE ARG 87 10.359 7.421 36.310 735 HH11 ARG 87 1HH1 ARG 87 12.227 4.529 37.113 736 HH12 ARG 87 2HH1 ARG 87 10.851 3.669 37.726 737 HH21 ARG 87 1HH2 ARG 87 8.574 6.263 37.083 738 HH22 ARG 87 2HH2 ARG 87 8.779 4.658 37.710 739 H ALA 88 H ALA 88 14.293 12.445 36.671 740 HA ALA 88 HA ALA 88 13.674 13.585 38.507 741 HB1 ALA 88 1HB ALA 88 12.025 11.754 38.818 742 HB2 ALA 88 2HB ALA 88 12.535 12.477 40.345 743 HB3 ALA 88 3HB ALA 88 13.183 10.913 39.850 744 H ALA 89 H ALA 89 16.508 12.543 38.142 745 HA ALA 89 HA ALA 89 18.540 12.843 39.040 746 HB1 ALA 89 1HB ALA 89 17.731 15.098 39.598 747 HB2 ALA 89 2HB ALA 89 18.903 14.520 40.787 748 HB3 ALA 89 3HB ALA 89 17.177 14.519 41.166 Start of MODEL 18 1 H1 MET 1 1H MET 1 8.109 -6.235 8.027 2 H2 MET 1 2H MET 1 6.542 -6.352 8.652 3 H3 MET 1 3H MET 1 7.363 -4.876 8.696 4 HA MET 1 HA MET 1 5.681 -4.933 6.967 5 HB2 MET 1 1HB MET 1 8.577 -4.772 6.016 6 HB3 MET 1 2HB MET 1 7.208 -4.269 5.026 7 HG2 MET 1 1HG MET 1 8.235 -2.333 6.064 8 HG3 MET 1 2HG MET 1 6.620 -2.575 6.735 9 HE1 MET 1 1HE MET 1 7.180 -0.947 8.764 10 HE2 MET 1 2HE MET 1 8.787 -0.681 8.085 11 HE3 MET 1 3HE MET 1 8.611 -1.123 9.783 12 H ILE 2 H ILE 2 4.469 -6.463 6.031 13 HA ILE 2 HA ILE 2 5.698 -8.792 4.674 14 HB ILE 2 HB ILE 2 2.766 -8.401 5.481 15 HG12 ILE 2 1HG1 ILE 2 4.864 -10.033 6.992 16 HG13 ILE 2 2HG1 ILE 2 4.276 -8.455 7.500 17 HG21 ILE 2 1HG2 ILE 2 2.561 -10.833 5.109 18 HG22 ILE 2 2HG2 ILE 2 4.257 -10.919 4.634 19 HG23 ILE 2 3HG2 ILE 2 3.110 -10.015 3.643 20 HD11 ILE 2 1HD1 ILE 2 2.599 -10.952 7.250 21 HD12 ILE 2 2HD1 ILE 2 2.031 -9.365 7.776 22 HD13 ILE 2 3HD1 ILE 2 3.213 -10.243 8.742 23 H LEU 3 H LEU 3 5.513 -8.872 2.445 24 HA LEU 3 HA LEU 3 3.812 -6.880 1.066 25 HB2 LEU 3 1HB LEU 3 6.214 -6.805 0.483 26 HB3 LEU 3 2HB LEU 3 6.195 -8.514 0.085 27 HG LEU 3 HG LEU 3 4.583 -7.982 -1.809 28 HD11 LEU 3 1HD1 LEU 3 5.252 -5.094 -1.186 29 HD12 LEU 3 2HD1 LEU 3 3.664 -5.860 -1.093 30 HD13 LEU 3 3HD1 LEU 3 4.453 -5.671 -2.652 31 HD21 LEU 3 1HD2 LEU 3 6.943 -8.383 -2.245 32 HD22 LEU 3 2HD2 LEU 3 7.314 -6.684 -1.956 33 HD23 LEU 3 3HD2 LEU 3 6.315 -7.146 -3.334 34 H GLU 4 H GLU 4 1.823 -7.818 0.789 35 HA GLU 4 HA GLU 4 1.474 -10.522 -0.211 36 HB2 GLU 4 1HB GLU 4 -0.525 -8.223 0.034 37 HB3 GLU 4 2HB GLU 4 -0.940 -9.859 -0.435 38 HG2 GLU 4 1HG GLU 4 0.110 -8.951 2.253 39 HG3 GLU 4 2HG GLU 4 -1.529 -9.485 1.883 40 H ALA 5 H ALA 5 1.047 -11.100 -2.295 41 HA ALA 5 HA ALA 5 1.323 -9.073 -4.452 42 HB1 ALA 5 1HB ALA 5 3.296 -10.548 -4.268 43 HB2 ALA 5 2HB ALA 5 2.423 -10.850 -5.768 44 HB3 ALA 5 3HB ALA 5 2.263 -11.973 -4.415 45 H HIS 6 H HIS 6 -0.535 -8.872 -5.578 46 HA HIS 6 HA HIS 6 -2.660 -10.887 -5.278 47 HB2 HIS 6 1HB HIS 6 -3.115 -8.493 -4.665 48 HB3 HIS 6 2HB HIS 6 -2.833 -8.030 -6.340 49 HD1 HIS 6 HD1 HIS 6 -5.317 -9.748 -4.122 50 HD2 HIS 6 HD2 HIS 6 -4.986 -8.536 -8.073 51 HE1 HIS 6 HE1 HIS 6 -7.618 -9.969 -5.082 52 HE2 HIS 6 HE2 HIS 6 -7.429 -9.012 -7.394 53 H TYR 7 H TYR 7 -2.181 -12.432 -6.787 54 HA TYR 7 HA TYR 7 -2.382 -11.695 -9.654 55 HB2 TYR 7 2HB TYR 7 -0.795 -13.972 -8.380 56 HB3 TYR 7 1HB TYR 7 -1.052 -13.806 -10.118 57 HD1 TYR 7 1HD TYR 7 -0.079 -11.813 -11.331 58 HD2 TYR 7 2HD TYR 7 0.917 -12.633 -7.258 59 HE1 TYR 7 1HE TYR 7 1.837 -10.286 -11.495 60 HE2 TYR 7 2HE TYR 7 2.839 -11.109 -7.433 61 HH TYR 7 HH TYR 7 3.217 -8.899 -9.923 62 H THR 8 H THR 8 -3.991 -13.053 -7.122 63 HA THR 8 HA THR 8 -5.504 -15.070 -8.584 64 HB THR 8 HB THR 8 -6.852 -15.175 -6.427 65 HG1 THR 8 1HG THR 8 -4.856 -13.638 -5.165 66 HG21 THR 8 1HG2 THR 8 -3.849 -15.499 -6.075 67 HG22 THR 8 2HG2 THR 8 -4.945 -16.711 -6.744 68 HG23 THR 8 3HG2 THR 8 -5.096 -16.223 -5.056 69 H ASN 9 H ASN 9 -7.433 -14.690 -9.585 70 HA ASN 9 HA ASN 9 -8.450 -12.061 -9.985 71 HB2 ASN 9 1HB ASN 9 -9.696 -14.759 -10.670 72 HB3 ASN 9 2HB ASN 9 -10.341 -13.211 -11.204 73 HD21 ASN 9 1HD2 ASN 9 -8.208 -14.817 -13.849 74 HD22 ASN 9 2HD2 ASN 9 -9.523 -15.370 -12.875 75 H LEU 10 H LEU 10 -8.842 -11.293 -7.888 76 HA LEU 10 HA LEU 10 -11.418 -12.131 -6.656 77 HB2 LEU 10 1HB LEU 10 -9.072 -10.809 -5.206 78 HB3 LEU 10 2HB LEU 10 -10.572 -11.356 -4.477 79 HG LEU 10 HG LEU 10 -8.458 -13.188 -5.682 80 HD11 LEU 10 1HD1 LEU 10 -9.048 -12.598 -2.764 81 HD12 LEU 10 2HD1 LEU 10 -7.627 -12.076 -3.672 82 HD13 LEU 10 3HD1 LEU 10 -7.895 -13.791 -3.373 83 HD21 LEU 10 1HD2 LEU 10 -9.711 -15.009 -4.530 84 HD22 LEU 10 2HD2 LEU 10 -10.629 -14.251 -5.823 85 HD23 LEU 10 3HD2 LEU 10 -10.991 -13.856 -4.140 86 H LYS 11 H LYS 11 -12.327 -10.183 -5.357 87 HA LYS 11 HA LYS 11 -12.477 -7.867 -7.166 88 HB2 LYS 11 1HB LYS 11 -14.146 -8.539 -4.696 89 HB3 LYS 11 2HB LYS 11 -14.510 -7.305 -5.896 90 HG2 LYS 11 1HG LYS 11 -15.006 -8.991 -7.578 91 HG3 LYS 11 2HG LYS 11 -14.439 -10.283 -6.521 92 HD2 LYS 11 1HD LYS 11 -16.872 -8.519 -6.007 93 HD3 LYS 11 2HD LYS 11 -16.913 -10.190 -6.571 94 HE2 LYS 11 1HE LYS 11 -15.909 -10.958 -4.464 95 HE3 LYS 11 2HE LYS 11 -15.765 -9.290 -3.902 96 HZ1 LYS 11 1HZ LYS 11 -18.292 -10.757 -4.438 97 HZ2 LYS 11 2HZ LYS 11 -18.209 -9.130 -4.001 98 HZ3 LYS 11 3HZ LYS 11 -17.691 -10.324 -2.920 99 H CYS 12 H CYS 12 -10.613 -6.633 -6.679 100 HA CYS 12 HA CYS 12 -9.768 -6.000 -4.004 101 HB2 CYS 12 2HB CYS 12 -9.042 -4.523 -6.577 102 HB3 CYS 12 1HB CYS 12 -8.169 -4.486 -5.045 103 H ARG 13 H ARG 13 -11.086 -4.821 -2.722 104 HA ARG 13 HA ARG 13 -12.860 -2.780 -3.911 105 HB2 ARG 13 1HB ARG 13 -13.011 -4.151 -1.195 106 HB3 ARG 13 2HB ARG 13 -14.160 -2.967 -1.810 107 HG2 ARG 13 1HG ARG 13 -14.677 -4.545 -3.714 108 HG3 ARG 13 2HG ARG 13 -13.654 -5.748 -2.923 109 HD2 ARG 13 1HD ARG 13 -15.971 -6.189 -2.362 110 HD3 ARG 13 2HD ARG 13 -15.137 -5.629 -0.913 111 HE ARG 13 HE ARG 13 -16.872 -3.885 -2.578 112 HH11 ARG 13 1HH1 ARG 13 -15.832 -4.961 0.620 113 HH12 ARG 13 2HH1 ARG 13 -16.870 -3.847 1.451 114 HH21 ARG 13 1HH2 ARG 13 -18.193 -2.417 -1.466 115 HH22 ARG 13 2HH2 ARG 13 -18.203 -2.406 0.268 116 H CYS 14 H CYS 14 -11.589 -0.992 -4.082 117 HA CYS 14 HA CYS 14 -10.700 0.300 -1.573 118 HB2 CYS 14 2HB CYS 14 -9.220 0.185 -4.235 119 HB3 CYS 14 1HB CYS 14 -8.800 1.299 -2.934 120 H SER 15 H SER 15 -11.956 2.012 -1.258 121 HA SER 15 HA SER 15 -13.510 3.296 -3.279 122 HB2 SER 15 1HB SER 15 -12.943 4.180 -0.415 123 HB3 SER 15 2HB SER 15 -14.206 4.833 -1.464 124 HG SER 15 HG SER 15 -14.200 2.081 -1.190 125 H GLY 16 H GLY 16 -12.079 4.023 -4.850 126 HA2 GLY 16 1HA GLY 16 -10.748 5.507 -5.970 127 HA3 GLY 16 2HA GLY 16 -10.923 6.617 -4.618 128 H VAL 17 H VAL 17 -8.697 7.197 -4.958 129 HA VAL 17 HA VAL 17 -6.805 5.311 -3.665 130 HB VAL 17 HB VAL 17 -4.933 6.526 -4.819 131 HG11 VAL 17 1HG1 VAL 17 -5.714 4.392 -5.682 132 HG12 VAL 17 2HG1 VAL 17 -5.253 5.439 -7.024 133 HG13 VAL 17 3HG1 VAL 17 -6.958 5.195 -6.648 134 HG21 VAL 17 1HG2 VAL 17 -6.049 8.661 -5.346 135 HG22 VAL 17 2HG2 VAL 17 -7.125 7.844 -6.480 136 HG23 VAL 17 3HG2 VAL 17 -5.392 7.928 -6.813 137 H ILE 18 H ILE 18 -5.688 6.067 -1.952 138 HA ILE 18 HA ILE 18 -6.545 8.654 -0.802 139 HB ILE 18 HB ILE 18 -5.499 6.173 0.664 140 HG12 ILE 18 1HG1 ILE 18 -8.401 7.093 0.347 141 HG13 ILE 18 2HG1 ILE 18 -7.689 5.693 -0.441 142 HG21 ILE 18 1HG2 ILE 18 -5.147 8.298 1.874 143 HG22 ILE 18 2HG2 ILE 18 -6.323 7.287 2.698 144 HG23 ILE 18 3HG2 ILE 18 -6.868 8.667 1.745 145 HD11 ILE 18 1HD1 ILE 18 -9.017 4.984 1.407 146 HD12 ILE 18 2HD1 ILE 18 -8.154 6.051 2.512 147 HD13 ILE 18 3HD1 ILE 18 -7.322 4.674 1.781 148 H SER 19 H SER 19 -4.961 10.156 -0.889 149 HA SER 19 HA SER 19 -2.208 9.422 -1.532 150 HB2 SER 19 1HB SER 19 -3.464 11.123 -2.857 151 HB3 SER 19 2HB SER 19 -3.572 12.148 -1.431 152 HG SER 19 HG SER 19 -1.285 12.286 -1.454 153 H THR 20 H THR 20 -3.212 8.998 1.235 154 HA THR 20 HA THR 20 -1.908 10.969 2.924 155 HB THR 20 HB THR 20 -2.514 9.359 4.802 156 HG1 THR 20 1HG THR 20 -2.558 7.441 3.468 157 HG21 THR 20 1HG2 THR 20 -4.828 10.149 2.996 158 HG22 THR 20 2HG2 THR 20 -4.061 11.192 4.195 159 HG23 THR 20 3HG2 THR 20 -4.944 9.755 4.712 160 H VAL 21 H VAL 21 0.265 10.921 3.267 161 HA VAL 21 HA VAL 21 1.905 8.629 2.841 162 HB VAL 21 HB VAL 21 2.947 10.842 2.709 163 HG11 VAL 21 1HG1 VAL 21 2.397 11.194 5.676 164 HG12 VAL 21 2HG1 VAL 21 1.695 12.134 4.362 165 HG13 VAL 21 3HG1 VAL 21 3.418 12.252 4.696 166 HG21 VAL 21 1HG2 VAL 21 4.993 10.413 4.032 167 HG22 VAL 21 2HG2 VAL 21 4.381 8.930 3.295 168 HG23 VAL 21 3HG2 VAL 21 4.112 9.233 5.011 169 H VAL 22 H VAL 22 1.725 6.854 4.011 170 HA VAL 22 HA VAL 22 0.545 6.880 6.693 171 HB VAL 22 HB VAL 22 1.366 4.450 5.022 172 HG11 VAL 22 1HG1 VAL 22 -0.549 4.693 7.375 173 HG12 VAL 22 2HG1 VAL 22 1.062 3.973 7.424 174 HG13 VAL 22 3HG1 VAL 22 -0.211 3.217 6.467 175 HG21 VAL 22 1HG2 VAL 22 -0.992 4.290 4.302 176 HG22 VAL 22 2HG2 VAL 22 -0.256 5.793 3.744 177 HG23 VAL 22 3HG2 VAL 22 -1.355 5.811 5.125 178 H GLY 23 H GLY 23 1.688 6.446 8.536 179 HA2 GLY 23 1HA GLY 23 4.435 6.923 8.664 180 HA3 GLY 23 2HA GLY 23 3.460 6.249 9.959 181 H LEU 24 H LEU 24 6.123 5.649 8.172 182 HA LEU 24 HA LEU 24 5.879 3.007 7.241 183 HB2 LEU 24 1HB LEU 24 8.297 4.673 7.976 184 HB3 LEU 24 2HB LEU 24 8.482 2.998 7.493 185 HG LEU 24 HG LEU 24 7.479 3.512 5.277 186 HD11 LEU 24 1HD1 LEU 24 7.418 6.404 6.173 187 HD12 LEU 24 2HD1 LEU 24 6.021 5.381 5.823 188 HD13 LEU 24 3HD1 LEU 24 7.130 5.825 4.530 189 HD21 LEU 24 1HD2 LEU 24 9.835 5.278 6.002 190 HD22 LEU 24 2HD2 LEU 24 9.389 4.769 4.370 191 HD23 LEU 24 3HD2 LEU 24 9.905 3.571 5.555 192 H ASN 25 H ASN 25 6.577 4.254 10.422 193 HA ASN 25 HA ASN 25 7.382 1.828 11.668 194 HB2 ASN 25 1HB ASN 25 6.999 3.006 13.798 195 HB3 ASN 25 2HB ASN 25 7.883 4.018 12.667 196 HD21 ASN 25 1HD2 ASN 25 5.080 5.872 14.461 197 HD22 ASN 25 2HD2 ASN 25 6.264 4.750 15.029 198 H ILE 26 H ILE 26 4.190 3.276 11.062 199 HA ILE 26 HA ILE 26 2.862 1.162 12.614 200 HB ILE 26 HB ILE 26 0.767 2.358 12.364 201 HG12 ILE 26 1HG1 ILE 26 2.240 4.439 10.676 202 HG13 ILE 26 2HG1 ILE 26 1.123 3.240 10.039 203 HG21 ILE 26 1HG2 ILE 26 2.981 4.276 13.178 204 HG22 ILE 26 2HG2 ILE 26 2.232 3.055 14.210 205 HG23 ILE 26 3HG2 ILE 26 1.279 4.419 13.624 206 HD11 ILE 26 1HD1 ILE 26 -0.689 4.251 11.344 207 HD12 ILE 26 2HD1 ILE 26 0.049 5.387 10.215 208 HD13 ILE 26 3HD1 ILE 26 0.434 5.479 11.934 209 H ILE 27 H ILE 27 3.846 1.642 9.390 210 HA ILE 27 HA ILE 27 1.764 0.179 8.058 211 HB ILE 27 HB ILE 27 4.674 0.639 7.243 212 HG12 ILE 27 1HG1 ILE 27 2.072 1.881 6.253 213 HG13 ILE 27 2HG1 ILE 27 3.263 2.670 7.276 214 HG21 ILE 27 1HG2 ILE 27 4.048 -0.179 4.975 215 HG22 ILE 27 2HG2 ILE 27 2.454 -0.634 5.578 216 HG23 ILE 27 3HG2 ILE 27 3.893 -1.455 6.186 217 HD11 ILE 27 1HD1 ILE 27 4.897 2.434 5.390 218 HD12 ILE 27 2HD1 ILE 27 3.531 3.501 5.106 219 HD13 ILE 27 3HD1 ILE 27 3.547 1.891 4.388 220 H ASP 28 H ASP 28 1.449 -1.953 7.937 221 HA ASP 28 HA ASP 28 3.370 -3.763 9.290 222 HB2 ASP 28 1HB ASP 28 0.980 -3.332 10.272 223 HB3 ASP 28 2HB ASP 28 0.400 -4.342 8.968 224 H ARG 29 H ARG 29 0.866 -3.615 6.734 225 HA ARG 29 HA ARG 29 2.318 -5.647 5.139 226 HB2 ARG 29 1HB ARG 29 -0.695 -5.709 5.717 227 HB3 ARG 29 2HB ARG 29 0.184 -6.838 4.687 228 HG2 ARG 29 1HG ARG 29 1.376 -7.753 6.578 229 HG3 ARG 29 2HG ARG 29 0.755 -6.496 7.638 230 HD2 ARG 29 1HD ARG 29 -1.563 -7.463 7.269 231 HD3 ARG 29 2HD ARG 29 -0.779 -8.815 6.432 232 HE ARG 29 HE ARG 29 0.250 -8.213 9.086 233 HH11 ARG 29 1HH1 ARG 29 -2.021 -10.192 7.273 234 HH12 ARG 29 2HH1 ARG 29 -2.151 -11.394 8.516 235 HH21 ARG 29 1HH2 ARG 29 0.069 -9.776 10.713 236 HH22 ARG 29 2HH2 ARG 29 -0.961 -11.155 10.471 237 H ILE 30 H ILE 30 1.995 -5.476 2.885 238 HA ILE 30 HA ILE 30 0.422 -3.223 1.789 239 HB ILE 30 HB ILE 30 3.405 -3.732 1.267 240 HG12 ILE 30 1HG1 ILE 30 1.967 -1.260 2.335 241 HG13 ILE 30 2HG1 ILE 30 2.968 -2.359 3.272 242 HG21 ILE 30 1HG2 ILE 30 1.595 -1.813 -0.251 243 HG22 ILE 30 2HG2 ILE 30 2.311 -3.291 -0.897 244 HG23 ILE 30 3HG2 ILE 30 3.344 -1.940 -0.435 245 HD11 ILE 30 1HD1 ILE 30 4.173 -0.356 2.813 246 HD12 ILE 30 2HD1 ILE 30 3.899 -0.510 1.080 247 HD13 ILE 30 3HD1 ILE 30 4.922 -1.678 1.923 248 H GLN 31 H GLN 31 -0.738 -3.957 0.053 249 HA GLN 31 HA GLN 31 0.079 -6.456 -1.305 250 HB2 GLN 31 1HB GLN 31 -2.088 -6.703 -0.208 251 HB3 GLN 31 2HB GLN 31 -2.684 -5.217 -0.938 252 HG2 GLN 31 1HG GLN 31 -2.635 -6.259 -3.165 253 HG3 GLN 31 2HG GLN 31 -1.959 -7.736 -2.483 254 HE21 GLN 31 1HE2 GLN 31 -5.250 -8.240 -0.722 255 HE22 GLN 31 2HE2 GLN 31 -3.663 -7.863 -0.164 256 H VAL 32 H VAL 32 0.745 -6.261 -3.310 257 HA VAL 32 HA VAL 32 0.162 -3.818 -4.866 258 HB VAL 32 HB VAL 32 1.924 -4.637 -6.459 259 HG11 VAL 32 1HG1 VAL 32 3.853 -4.082 -5.012 260 HG12 VAL 32 2HG1 VAL 32 2.857 -4.324 -3.574 261 HG13 VAL 32 3HG1 VAL 32 2.485 -3.013 -4.696 262 HG21 VAL 32 1HG2 VAL 32 3.433 -6.469 -5.848 263 HG22 VAL 32 2HG2 VAL 32 1.782 -7.076 -5.965 264 HG23 VAL 32 3HG2 VAL 32 2.509 -6.793 -4.382 265 H THR 33 H THR 33 -1.400 -3.856 -6.304 266 HA THR 33 HA THR 33 -2.405 -6.402 -7.437 267 HB THR 33 HB THR 33 -3.908 -3.805 -6.916 268 HG1 THR 33 1HG THR 33 -3.894 -4.810 -5.021 269 HG21 THR 33 1HG2 THR 33 -5.940 -4.987 -7.672 270 HG22 THR 33 2HG2 THR 33 -4.968 -6.391 -8.116 271 HG23 THR 33 3HG2 THR 33 -4.759 -4.863 -8.976 272 HA PRO 34 HA PRO 34 -0.779 -4.436 -11.345 273 HB2 PRO 34 2HB PRO 34 -1.253 -7.299 -12.186 274 HB3 PRO 34 1HB PRO 34 0.168 -6.263 -12.451 275 HG2 PRO 34 2HG PRO 34 0.284 -8.215 -10.673 276 HG3 PRO 34 1HG PRO 34 1.011 -6.634 -10.295 277 HD2 PRO 34 2HD PRO 34 -1.649 -7.747 -9.393 278 HD3 PRO 34 1HD PRO 34 -0.395 -6.908 -8.444 279 HA PRO 35 HA PRO 35 -4.792 -3.903 -13.248 280 HB2 PRO 35 2HB PRO 35 -4.206 -3.214 -15.807 281 HB3 PRO 35 1HB PRO 35 -3.722 -2.190 -14.441 282 HG2 PRO 35 2HG PRO 35 -2.062 -4.157 -15.985 283 HG3 PRO 35 1HG PRO 35 -1.649 -2.507 -15.466 284 HD2 PRO 35 2HD PRO 35 -0.848 -4.749 -14.094 285 HD3 PRO 35 1HD PRO 35 -1.109 -3.173 -13.316 286 H GLY 36 H GLY 36 -2.798 -6.440 -14.377 287 HA2 GLY 36 1HA GLY 36 -5.157 -7.915 -15.427 288 HA3 GLY 36 2HA GLY 36 -3.540 -8.089 -16.109 289 H ASN 37 H ASN 37 -5.017 -10.247 -15.075 290 HA ASN 37 HA ASN 37 -5.100 -11.970 -13.611 291 HB2 ASN 37 1HB ASN 37 -2.151 -11.333 -13.199 292 HB3 ASN 37 2HB ASN 37 -2.941 -12.847 -12.767 293 HD21 ASN 37 1HD2 ASN 37 -2.916 -14.147 -16.033 294 HD22 ASN 37 2HD2 ASN 37 -3.602 -14.262 -14.452 295 H GLY 38 H GLY 38 -6.504 -10.757 -12.248 296 HA2 GLY 38 1HA GLY 38 -6.468 -10.949 -9.651 297 HA3 GLY 38 2HA GLY 38 -5.387 -9.571 -9.789 298 H CYS 39 H CYS 39 -6.195 -7.575 -10.413 299 HA CYS 39 HA CYS 39 -9.110 -7.303 -10.813 300 HB2 CYS 39 2HB CYS 39 -7.378 -5.568 -8.997 301 HB3 CYS 39 1HB CYS 39 -9.099 -5.328 -9.314 302 HA PRO 40 HA PRO 40 -7.992 -5.084 -14.486 303 HB2 PRO 40 2HB PRO 40 -10.015 -3.165 -14.657 304 HB3 PRO 40 1HB PRO 40 -10.214 -4.875 -15.085 305 HG2 PRO 40 2HG PRO 40 -10.903 -3.495 -12.507 306 HG3 PRO 40 1HG PRO 40 -11.868 -4.658 -13.447 307 HD2 PRO 40 2HD PRO 40 -10.529 -5.461 -11.279 308 HD3 PRO 40 1HD PRO 40 -10.583 -6.500 -12.726 309 H LYS 41 H LYS 41 -8.269 -3.174 -11.530 310 HA LYS 41 HA LYS 41 -6.833 -0.887 -12.760 311 HB2 LYS 41 1HB LYS 41 -8.138 -1.011 -10.007 312 HB3 LYS 41 2HB LYS 41 -7.514 0.422 -10.820 313 HG2 LYS 41 1HG LYS 41 -9.313 0.022 -12.599 314 HG3 LYS 41 2HG LYS 41 -10.005 -1.163 -11.496 315 HD2 LYS 41 1HD LYS 41 -9.764 1.837 -11.129 316 HD3 LYS 41 2HD LYS 41 -11.225 0.860 -11.158 317 HE2 LYS 41 1HE LYS 41 -9.186 1.077 -8.916 318 HE3 LYS 41 2HE LYS 41 -10.876 1.539 -8.893 319 HZ1 LYS 41 1HZ LYS 41 -10.496 -0.504 -7.696 320 HZ2 LYS 41 2HZ LYS 41 -9.874 -1.244 -9.080 321 HZ3 LYS 41 3HZ LYS 41 -11.498 -0.775 -9.030 322 H THR 42 H THR 42 -4.945 -0.029 -11.739 323 HA THR 42 HA THR 42 -3.315 -1.901 -10.228 324 HB THR 42 HB THR 42 -1.575 -0.118 -10.306 325 HG1 THR 42 1HG THR 42 -3.175 1.668 -10.365 326 HG21 THR 42 1HG2 THR 42 -1.705 -1.705 -12.185 327 HG22 THR 42 2HG2 THR 42 -1.175 -0.116 -12.735 328 HG23 THR 42 3HG2 THR 42 -2.837 -0.634 -13.018 329 H GLU 43 H GLU 43 -3.533 -2.059 -8.085 330 HA GLU 43 HA GLU 43 -4.384 0.276 -6.436 331 HB2 GLU 43 1HB GLU 43 -5.603 -2.531 -6.409 332 HB3 GLU 43 2HB GLU 43 -5.936 -1.304 -5.188 333 HG2 GLU 43 1HG GLU 43 -7.043 0.112 -6.781 334 HG3 GLU 43 2HG GLU 43 -6.495 -0.862 -8.135 335 H VAL 44 H VAL 44 -3.260 0.440 -4.507 336 HA VAL 44 HA VAL 44 -1.647 -1.901 -3.633 337 HB VAL 44 HB VAL 44 -0.928 1.055 -3.285 338 HG11 VAL 44 1HG1 VAL 44 -0.188 -0.308 -1.366 339 HG12 VAL 44 2HG1 VAL 44 1.193 0.209 -2.324 340 HG13 VAL 44 3HG1 VAL 44 0.606 -1.447 -2.458 341 HG21 VAL 44 1HG2 VAL 44 -0.607 0.331 -5.606 342 HG22 VAL 44 2HG2 VAL 44 0.306 -1.080 -5.072 343 HG23 VAL 44 3HG2 VAL 44 0.962 0.536 -4.827 344 H VAL 45 H VAL 45 -2.737 -2.788 -2.015 345 HA VAL 45 HA VAL 45 -4.439 -1.159 -0.245 346 HB VAL 45 HB VAL 45 -4.268 -4.209 -0.456 347 HG11 VAL 45 1HG1 VAL 45 -5.233 -3.405 1.660 348 HG12 VAL 45 2HG1 VAL 45 -6.452 -4.206 0.669 349 HG13 VAL 45 3HG1 VAL 45 -6.415 -2.446 0.762 350 HG21 VAL 45 1HG2 VAL 45 -4.969 -3.339 -2.640 351 HG22 VAL 45 2HG2 VAL 45 -6.216 -2.353 -1.881 352 HG23 VAL 45 3HG2 VAL 45 -6.333 -4.114 -1.836 353 H ILE 46 H ILE 46 -3.286 -0.394 1.455 354 HA ILE 46 HA ILE 46 -1.166 -1.988 2.751 355 HB ILE 46 HB ILE 46 -1.935 0.955 3.157 356 HG12 ILE 46 1HG1 ILE 46 0.396 -0.257 1.599 357 HG13 ILE 46 2HG1 ILE 46 -0.983 0.583 0.908 358 HG21 ILE 46 1HG2 ILE 46 0.479 -0.558 4.238 359 HG22 ILE 46 2HG2 ILE 46 -0.900 -0.001 5.189 360 HG23 ILE 46 3HG2 ILE 46 0.176 1.171 4.429 361 HD11 ILE 46 1HD1 ILE 46 1.195 1.789 2.612 362 HD12 ILE 46 2HD1 ILE 46 -0.243 2.654 2.058 363 HD13 ILE 46 3HD1 ILE 46 0.909 2.022 0.889 364 H TRP 47 H TRP 47 -1.548 -2.925 4.713 365 HA TRP 47 HA TRP 47 -3.774 -1.986 6.430 366 HB2 TRP 47 2HB TRP 47 -2.134 -4.568 6.566 367 HB3 TRP 47 1HB TRP 47 -3.428 -4.128 7.683 368 HD1 TRP 47 1HD TRP 47 -5.948 -4.417 6.812 369 HE1 TRP 47 1HE TRP 47 -6.955 -5.623 4.773 370 HE3 TRP 47 3HE TRP 47 -1.688 -5.117 4.091 371 HZ2 TRP 47 2HZ TRP 47 -6.057 -6.738 2.338 372 HZ3 TRP 47 3HZ TRP 47 -1.832 -6.261 1.923 373 HH2 TRP 47 2HH TRP 47 -3.976 -7.052 1.070 374 H THR 48 H THR 48 -3.232 -0.842 8.202 375 HA THR 48 HA THR 48 -0.452 -0.513 9.025 376 HB THR 48 HB THR 48 -1.424 0.948 10.817 377 HG1 THR 48 1HG THR 48 -3.819 1.385 10.328 378 HG21 THR 48 1HG2 THR 48 -2.303 2.716 9.346 379 HG22 THR 48 2HG2 THR 48 -2.529 1.545 8.044 380 HG23 THR 48 3HG2 THR 48 -0.902 1.939 8.611 381 H LYS 49 H LYS 49 -0.180 -0.695 11.618 382 HA LYS 49 HA LYS 49 -0.316 -3.473 12.257 383 HB2 LYS 49 1HB LYS 49 0.367 -1.112 14.060 384 HB3 LYS 49 2HB LYS 49 0.638 -2.808 14.458 385 HG2 LYS 49 1HG LYS 49 2.147 -2.952 12.421 386 HG3 LYS 49 2HG LYS 49 1.996 -1.202 12.273 387 HD2 LYS 49 1HD LYS 49 4.064 -1.724 13.439 388 HD3 LYS 49 2HD LYS 49 2.942 -0.970 14.576 389 HE2 LYS 49 1HE LYS 49 4.130 -2.914 15.567 390 HE3 LYS 49 2HE LYS 49 2.383 -3.156 15.528 391 HZ1 LYS 49 1HZ LYS 49 3.534 -5.150 14.828 392 HZ2 LYS 49 2HZ LYS 49 4.358 -4.301 13.619 393 HZ3 LYS 49 3HZ LYS 49 2.684 -4.511 13.512 394 H MET 50 H MET 50 -2.283 -0.711 13.053 395 HA MET 50 HA MET 50 -4.019 -2.110 14.901 396 HB2 MET 50 1HB MET 50 -4.380 0.594 13.526 397 HB3 MET 50 2HB MET 50 -5.331 -0.010 14.877 398 HG2 MET 50 1HG MET 50 -3.749 1.572 15.747 399 HG3 MET 50 2HG MET 50 -3.234 -0.029 16.272 400 HE1 MET 50 1HE MET 50 -2.513 3.015 13.886 401 HE2 MET 50 2HE MET 50 -2.755 1.709 12.723 402 HE3 MET 50 3HE MET 50 -1.154 2.416 12.932 403 H LYS 51 H LYS 51 -3.599 -2.391 11.650 404 HA LYS 51 HA LYS 51 -4.590 -3.679 10.103 405 HB2 LYS 51 1HB LYS 51 -6.679 -4.177 12.255 406 HB3 LYS 51 2HB LYS 51 -6.672 -5.008 10.702 407 HG2 LYS 51 1HG LYS 51 -4.591 -6.116 11.200 408 HG3 LYS 51 2HG LYS 51 -4.325 -5.126 12.637 409 HD2 LYS 51 1HD LYS 51 -6.612 -7.116 12.305 410 HD3 LYS 51 2HD LYS 51 -5.108 -7.440 13.170 411 HE2 LYS 51 1HE LYS 51 -5.616 -5.696 14.800 412 HE3 LYS 51 2HE LYS 51 -7.067 -5.236 13.903 413 HZ1 LYS 51 1HZ LYS 51 -7.550 -6.637 15.821 414 HZ2 LYS 51 2HZ LYS 51 -6.620 -7.884 15.168 415 HZ3 LYS 51 3HZ LYS 51 -8.030 -7.383 14.381 416 H LYS 52 H LYS 52 -5.230 -0.764 10.431 417 HA LYS 52 HA LYS 52 -7.817 -0.417 9.183 418 HB2 LYS 52 1HB LYS 52 -5.525 1.503 9.759 419 HB3 LYS 52 2HB LYS 52 -6.855 1.988 8.715 420 HG2 LYS 52 1HG LYS 52 -7.290 2.829 10.930 421 HG3 LYS 52 2HG LYS 52 -8.450 1.543 10.590 422 HD2 LYS 52 1HD LYS 52 -7.035 -0.033 11.922 423 HD3 LYS 52 2HD LYS 52 -5.945 1.304 12.301 424 HE2 LYS 52 1HE LYS 52 -7.485 0.882 14.159 425 HE3 LYS 52 2HE LYS 52 -7.798 2.472 13.461 426 HZ1 LYS 52 1HZ LYS 52 -9.828 1.214 13.935 427 HZ2 LYS 52 2HZ LYS 52 -9.346 0.012 12.851 428 HZ3 LYS 52 3HZ LYS 52 -9.684 1.569 12.288 429 H VAL 53 H VAL 53 -8.259 -0.675 7.135 430 HA VAL 53 HA VAL 53 -6.301 -1.199 5.091 431 HB VAL 53 HB VAL 53 -9.341 -0.901 4.864 432 HG11 VAL 53 1HG1 VAL 53 -9.126 -2.108 2.723 433 HG12 VAL 53 2HG1 VAL 53 -7.375 -2.142 2.915 434 HG13 VAL 53 3HG1 VAL 53 -8.202 -0.602 2.693 435 HG21 VAL 53 1HG2 VAL 53 -9.433 -3.372 4.923 436 HG22 VAL 53 2HG2 VAL 53 -8.727 -2.729 6.407 437 HG23 VAL 53 3HG2 VAL 53 -7.687 -3.438 5.172 438 H ILE 54 H ILE 54 -5.214 0.500 4.274 439 HA ILE 54 HA ILE 54 -6.672 2.900 3.314 440 HB ILE 54 HB ILE 54 -3.727 2.677 4.161 441 HG12 ILE 54 1HG1 ILE 54 -5.996 4.206 5.538 442 HG13 ILE 54 2HG1 ILE 54 -5.305 2.695 6.113 443 HG21 ILE 54 1HG2 ILE 54 -3.594 5.111 3.747 444 HG22 ILE 54 2HG2 ILE 54 -5.264 5.118 3.182 445 HG23 ILE 54 3HG2 ILE 54 -4.031 4.240 2.276 446 HD11 ILE 54 1HD1 ILE 54 -3.142 3.830 6.427 447 HD12 ILE 54 2HD1 ILE 54 -4.444 4.531 7.385 448 HD13 ILE 54 3HD1 ILE 54 -3.889 5.352 5.928 449 H CYS 55 H CYS 55 -6.759 2.884 1.073 450 HA CYS 55 HA CYS 55 -4.874 1.163 -0.426 451 HB2 CYS 55 2HB CYS 55 -7.638 2.221 -1.161 452 HB3 CYS 55 1HB CYS 55 -6.585 1.360 -2.283 453 H VAL 56 H VAL 56 -3.311 2.247 -1.375 454 HA VAL 56 HA VAL 56 -3.569 5.126 -2.027 455 HB VAL 56 HB VAL 56 -1.136 5.291 -1.747 456 HG11 VAL 56 1HG1 VAL 56 -0.911 4.774 0.704 457 HG12 VAL 56 2HG1 VAL 56 -2.458 3.931 0.633 458 HG13 VAL 56 3HG1 VAL 56 -2.382 5.661 0.298 459 HG21 VAL 56 1HG2 VAL 56 0.290 3.461 -1.022 460 HG22 VAL 56 2HG2 VAL 56 -0.521 2.995 -2.519 461 HG23 VAL 56 3HG2 VAL 56 -1.073 2.348 -0.974 462 H ASN 57 H ASN 57 -2.293 5.841 -3.919 463 HA ASN 57 HA ASN 57 -2.517 4.078 -6.206 464 HB2 ASN 57 1HB ASN 57 -1.714 5.996 -7.539 465 HB3 ASN 57 2HB ASN 57 -3.010 6.494 -6.468 466 HD21 ASN 57 1HD2 ASN 57 -0.000 8.856 -6.482 467 HD22 ASN 57 2HD2 ASN 57 -0.748 7.993 -7.779 468 HA PRO 58 HA PRO 58 1.660 2.388 -6.062 469 HB2 PRO 58 2HB PRO 58 2.155 1.976 -8.753 470 HB3 PRO 58 1HB PRO 58 1.069 0.951 -7.793 471 HG2 PRO 58 2HG PRO 58 0.346 3.273 -9.570 472 HG3 PRO 58 1HG PRO 58 -0.365 1.649 -9.510 473 HD2 PRO 58 2HD PRO 58 -1.581 3.675 -8.271 474 HD3 PRO 58 1HD PRO 58 -1.515 2.071 -7.499 475 H ARG 59 H ARG 59 0.961 5.208 -8.064 476 HA ARG 59 HA ARG 59 3.746 5.874 -8.527 477 HB2 ARG 59 1HB ARG 59 1.210 7.447 -9.152 478 HB3 ARG 59 2HB ARG 59 2.832 7.888 -9.670 479 HG2 ARG 59 1HG ARG 59 2.886 5.605 -10.888 480 HG3 ARG 59 2HG ARG 59 1.145 5.552 -10.605 481 HD2 ARG 59 1HD ARG 59 1.555 6.434 -12.829 482 HD3 ARG 59 2HD ARG 59 0.932 7.744 -11.816 483 HE ARG 59 HE ARG 59 3.845 7.427 -12.193 484 HH11 ARG 59 1HH1 ARG 59 0.981 9.413 -12.718 485 HH12 ARG 59 2HH1 ARG 59 1.902 10.799 -13.213 486 HH21 ARG 59 1HH2 ARG 59 5.022 9.261 -12.842 487 HH22 ARG 59 2HH2 ARG 59 4.173 10.711 -13.282 488 H ALA 60 H ALA 60 2.132 6.042 -5.712 489 HA ALA 60 HA ALA 60 2.486 8.682 -4.775 490 HB1 ALA 60 1HB ALA 60 2.363 7.691 -2.488 491 HB2 ALA 60 2HB ALA 60 2.495 6.083 -3.206 492 HB3 ALA 60 3HB ALA 60 1.092 7.084 -3.556 493 H LYS 61 H LYS 61 4.239 9.758 -4.036 494 HA LYS 61 HA LYS 61 6.729 9.051 -5.169 495 HB2 LYS 61 1HB LYS 61 5.685 11.388 -4.957 496 HB3 LYS 61 2HB LYS 61 6.127 11.354 -3.261 497 HG2 LYS 61 1HG LYS 61 7.840 12.630 -4.183 498 HG3 LYS 61 2HG LYS 61 8.577 11.028 -4.156 499 HD2 LYS 61 1HD LYS 61 8.085 10.740 -6.557 500 HD3 LYS 61 2HD LYS 61 7.237 12.286 -6.591 501 HE2 LYS 61 1HE LYS 61 9.520 12.434 -7.528 502 HE3 LYS 61 2HE LYS 61 9.334 13.454 -6.102 503 HZ1 LYS 61 1HZ LYS 61 11.429 12.226 -6.102 504 HZ2 LYS 61 2HZ LYS 61 10.594 10.759 -6.135 505 HZ3 LYS 61 3HZ LYS 61 10.463 11.775 -4.789 506 H TRP 62 H TRP 62 5.627 9.334 -1.852 507 HA TRP 62 HA TRP 62 8.037 8.682 -0.496 508 HB2 TRP 62 2HB TRP 62 6.537 8.387 1.497 509 HB3 TRP 62 1HB TRP 62 6.222 9.891 0.640 510 HD1 TRP 62 1HD TRP 62 3.880 10.012 -0.789 511 HE1 TRP 62 1HE TRP 62 1.668 8.744 -0.544 512 HE3 TRP 62 3HE TRP 62 5.448 6.192 2.234 513 HZ2 TRP 62 2HZ TRP 62 0.707 6.473 0.742 514 HZ3 TRP 62 3HZ TRP 62 3.794 4.512 2.934 515 HH2 TRP 62 2HH TRP 62 1.464 4.642 2.206 516 H LEU 63 H LEU 63 5.335 6.813 -1.729 517 HA LEU 63 HA LEU 63 5.704 4.372 -0.394 518 HB2 LEU 63 1HB LEU 63 3.617 5.031 -1.520 519 HB3 LEU 63 2HB LEU 63 4.428 4.973 -3.073 520 HG LEU 63 HG LEU 63 4.790 2.459 -2.645 521 HD11 LEU 63 1HD1 LEU 63 4.414 2.391 -0.252 522 HD12 LEU 63 2HD1 LEU 63 3.261 1.350 -1.083 523 HD13 LEU 63 3HD1 LEU 63 2.748 2.923 -0.467 524 HD21 LEU 63 1HD2 LEU 63 1.936 3.410 -2.964 525 HD22 LEU 63 2HD2 LEU 63 2.600 1.860 -3.475 526 HD23 LEU 63 3HD2 LEU 63 3.145 3.344 -4.242 527 H GLN 64 H GLN 64 7.163 5.731 -3.242 528 HA GLN 64 HA GLN 64 8.087 3.519 -4.618 529 HB2 GLN 64 1HB GLN 64 9.264 6.303 -4.338 530 HB3 GLN 64 2HB GLN 64 9.864 5.115 -5.497 531 HG2 GLN 64 1HG GLN 64 7.005 6.139 -5.420 532 HG3 GLN 64 2HG GLN 64 8.263 6.754 -6.481 533 HE21 GLN 64 1HE2 GLN 64 6.087 3.989 -8.018 534 HE22 GLN 64 2HE2 GLN 64 5.652 5.264 -6.946 535 H ARG 65 H ARG 65 9.528 5.150 -1.837 536 HA ARG 65 HA ARG 65 12.041 3.868 -1.752 537 HB2 ARG 65 1HB ARG 65 10.339 5.014 0.515 538 HB3 ARG 65 2HB ARG 65 12.030 4.547 0.686 539 HG2 ARG 65 1HG ARG 65 12.690 6.245 -0.963 540 HG3 ARG 65 2HG ARG 65 11.006 6.708 -1.189 541 HD2 ARG 65 1HD ARG 65 10.893 7.454 1.165 542 HD3 ARG 65 2HD ARG 65 12.584 6.978 1.393 543 HE ARG 65 HE ARG 65 12.660 8.679 -0.744 544 HH11 ARG 65 1HH1 ARG 65 11.438 9.045 2.551 545 HH12 ARG 65 2HH1 ARG 65 11.749 10.754 2.585 546 HH21 ARG 65 1HH2 ARG 65 13.053 10.897 -0.682 547 HH22 ARG 65 2HH2 ARG 65 12.667 11.806 0.751 548 H LEU 66 H LEU 66 8.902 3.012 -0.393 549 HA LEU 66 HA LEU 66 9.709 0.638 0.978 550 HB2 LEU 66 1HB LEU 66 6.965 1.546 0.030 551 HB3 LEU 66 2HB LEU 66 7.240 0.191 1.113 552 HG LEU 66 HG LEU 66 8.038 3.049 1.811 553 HD11 LEU 66 1HD1 LEU 66 6.044 3.254 3.129 554 HD12 LEU 66 2HD1 LEU 66 5.544 1.612 2.734 555 HD13 LEU 66 3HD1 LEU 66 5.573 2.844 1.481 556 HD21 LEU 66 1HD2 LEU 66 7.815 0.531 3.495 557 HD22 LEU 66 2HD2 LEU 66 8.080 2.151 4.138 558 HD23 LEU 66 3HD2 LEU 66 9.288 1.421 3.096 559 H LEU 67 H LEU 67 8.458 1.330 -2.266 560 HA LEU 67 HA LEU 67 7.934 -1.347 -3.065 561 HB2 LEU 67 1HB LEU 67 8.481 1.113 -4.787 562 HB3 LEU 67 2HB LEU 67 7.915 -0.430 -5.408 563 HG LEU 67 HG LEU 67 6.377 1.412 -3.537 564 HD11 LEU 67 1HD1 LEU 67 5.883 0.732 -6.453 565 HD12 LEU 67 2HD1 LEU 67 6.494 2.264 -5.828 566 HD13 LEU 67 3HD1 LEU 67 4.860 1.746 -5.436 567 HD21 LEU 67 1HD2 LEU 67 5.537 -1.274 -4.688 568 HD22 LEU 67 2HD2 LEU 67 4.461 -0.146 -3.860 569 HD23 LEU 67 3HD2 LEU 67 5.795 -0.884 -2.985 570 H ARG 68 H ARG 68 10.861 0.632 -3.117 571 HA ARG 68 HA ARG 68 12.367 -1.388 -4.636 572 HB2 ARG 68 1HB ARG 68 13.584 1.025 -3.235 573 HB3 ARG 68 2HB ARG 68 14.231 0.125 -4.596 574 HG2 ARG 68 1HG ARG 68 11.916 2.070 -4.607 575 HG3 ARG 68 2HG ARG 68 13.476 2.279 -5.374 576 HD2 ARG 68 1HD ARG 68 12.937 0.607 -7.050 577 HD3 ARG 68 2HD ARG 68 11.439 0.184 -6.217 578 HE ARG 68 HE ARG 68 10.900 2.694 -6.660 579 HH11 ARG 68 1HH1 ARG 68 12.537 0.553 -8.925 580 HH12 ARG 68 2HH1 ARG 68 11.951 1.404 -10.326 581 HH21 ARG 68 1HH2 ARG 68 10.114 3.769 -8.498 582 HH22 ARG 68 2HH2 ARG 68 10.582 3.224 -10.083 583 H HIS 69 H HIS 69 11.850 -0.453 -1.273 584 HA HIS 69 HA HIS 69 14.093 -1.885 -0.184 585 HB2 HIS 69 1HB HIS 69 13.015 0.018 1.017 586 HB3 HIS 69 2HB HIS 69 11.569 -0.960 1.255 587 HD1 HIS 69 HD1 HIS 69 15.255 -1.011 2.153 588 HD2 HIS 69 HD2 HIS 69 11.633 -2.456 3.583 589 HE1 HIS 69 HE1 HIS 69 15.787 -2.132 4.319 590 HE2 HIS 69 HE2 HIS 69 13.644 -3.237 5.004 591 H VAL 70 H VAL 70 10.721 -2.772 -0.846 592 HA VAL 70 HA VAL 70 10.782 -5.290 0.566 593 HB VAL 70 HB VAL 70 8.664 -5.851 -0.585 594 HG11 VAL 70 1HG1 VAL 70 8.691 -3.026 0.531 595 HG12 VAL 70 2HG1 VAL 70 8.527 -4.521 1.452 596 HG13 VAL 70 3HG1 VAL 70 7.258 -4.038 0.329 597 HG21 VAL 70 1HG2 VAL 70 9.025 -3.255 -2.132 598 HG22 VAL 70 2HG2 VAL 70 7.569 -4.248 -2.123 599 HG23 VAL 70 3HG2 VAL 70 9.065 -4.888 -2.800 600 H GLN 71 H GLN 71 12.331 -4.340 -2.193 601 HA GLN 71 HA GLN 71 12.426 -6.987 -3.499 602 HB2 GLN 71 1HB GLN 71 13.334 -4.192 -4.321 603 HB3 GLN 71 2HB GLN 71 13.684 -5.634 -5.272 604 HG2 GLN 71 1HG GLN 71 11.304 -6.027 -5.642 605 HG3 GLN 71 2HG GLN 71 10.887 -4.669 -4.593 606 HE21 GLN 71 1HE2 GLN 71 10.935 -3.785 -8.300 607 HE22 GLN 71 2HE2 GLN 71 10.350 -5.189 -7.486 608 H SER 72 H SER 72 15.019 -6.718 -4.626 609 HA SER 72 HA SER 72 16.737 -7.586 -2.535 610 HB2 SER 72 1HB SER 72 16.987 -8.431 -4.838 611 HB3 SER 72 2HB SER 72 17.369 -6.812 -5.424 612 HG SER 72 HG SER 72 19.332 -6.946 -4.597 613 H LYS 73 H LYS 73 16.516 -5.767 -1.091 614 HA LYS 73 HA LYS 73 18.696 -3.885 -1.351 615 HB2 LYS 73 1HB LYS 73 16.810 -2.612 -2.370 616 HB3 LYS 73 2HB LYS 73 15.849 -2.837 -0.907 617 HG2 LYS 73 1HG LYS 73 17.470 -1.539 0.397 618 HG3 LYS 73 2HG LYS 73 18.524 -1.393 -1.011 619 HD2 LYS 73 1HD LYS 73 16.716 -0.088 -2.168 620 HD3 LYS 73 2HD LYS 73 15.757 -0.167 -0.686 621 HE2 LYS 73 1HE LYS 73 17.534 1.043 0.531 622 HE3 LYS 73 2HE LYS 73 18.503 1.110 -0.941 623 HZ1 LYS 73 1HZ LYS 73 15.826 2.347 -0.622 624 HZ2 LYS 73 2HZ LYS 73 16.844 2.492 -1.963 625 HZ3 LYS 73 3HZ LYS 73 17.293 3.171 -0.480 626 H SER 74 H SER 74 19.711 -4.003 0.480 627 HA SER 74 HA SER 74 18.656 -5.268 2.840 628 HB2 SER 74 1HB SER 74 20.967 -5.665 1.989 629 HB3 SER 74 2HB SER 74 21.367 -3.976 2.303 630 HG SER 74 HG SER 74 22.021 -5.437 3.972 631 H LEU 75 H LEU 75 19.435 -4.129 5.013 632 HA LEU 75 HA LEU 75 19.048 -1.213 5.032 633 HB2 LEU 75 1HB LEU 75 17.558 -1.446 7.067 634 HB3 LEU 75 2HB LEU 75 16.847 -1.985 5.561 635 HG LEU 75 HG LEU 75 17.485 -4.407 6.325 636 HD11 LEU 75 1HD1 LEU 75 17.585 -4.817 8.743 637 HD12 LEU 75 2HD1 LEU 75 17.646 -3.080 9.048 638 HD13 LEU 75 3HD1 LEU 75 18.971 -3.871 8.194 639 HD21 LEU 75 1HD2 LEU 75 15.295 -2.944 7.837 640 HD22 LEU 75 2HD2 LEU 75 15.392 -4.688 7.566 641 HD23 LEU 75 3HD2 LEU 75 15.163 -3.596 6.203 642 H SER 76 H SER 76 19.575 -0.405 7.353 643 HA SER 76 HA SER 76 21.859 -1.928 8.489 644 HB2 SER 76 1HB SER 76 22.776 0.315 9.159 645 HB3 SER 76 2HB SER 76 22.620 0.148 7.409 646 HG SER 76 HG SER 76 21.388 1.895 9.112 647 H SER 77 H SER 77 21.634 -2.508 10.596 648 HA SER 77 HA SER 77 19.237 -2.031 12.066 649 HB2 SER 77 1HB SER 77 20.482 -3.219 13.942 650 HB3 SER 77 2HB SER 77 20.458 -4.110 12.421 651 HG SER 77 HG SER 77 22.615 -2.388 12.948 652 H THR 78 H THR 78 18.723 -0.345 13.278 653 HA THR 78 HA THR 78 20.466 1.915 13.646 654 HB THR 78 HB THR 78 18.422 2.922 14.740 655 HG1 THR 78 1HG THR 78 17.657 0.261 14.729 656 HG21 THR 78 1HG2 THR 78 17.842 1.513 12.102 657 HG22 THR 78 2HG2 THR 78 18.654 3.075 12.280 658 HG23 THR 78 3HG2 THR 78 16.964 2.894 12.752 659 HA PRO 79 HA PRO 79 22.045 0.822 17.689 660 HB2 PRO 79 2HB PRO 79 22.755 3.254 18.720 661 HB3 PRO 79 1HB PRO 79 23.607 2.540 17.335 662 HG2 PRO 79 2HG PRO 79 21.481 4.658 17.340 663 HG3 PRO 79 1HG PRO 79 22.986 4.577 16.396 664 HD2 PRO 79 2HD PRO 79 20.548 3.878 15.359 665 HD3 PRO 79 1HD PRO 79 22.074 3.161 14.804 666 H GLN 80 H GLN 80 19.969 0.020 18.346 667 HA GLN 80 HA GLN 80 18.655 1.561 20.509 668 HB2 GLN 80 1HB GLN 80 17.257 -0.157 18.398 669 HB3 GLN 80 2HB GLN 80 16.462 0.557 19.794 670 HG2 GLN 80 1HG GLN 80 16.959 2.819 18.897 671 HG3 GLN 80 2HG GLN 80 17.712 2.080 17.483 672 HE21 GLN 80 1HE2 GLN 80 14.098 3.039 16.866 673 HE22 GLN 80 2HE2 GLN 80 15.409 3.882 17.616 674 H ALA 81 H ALA 81 17.316 0.012 21.899 675 HA ALA 81 HA ALA 81 18.486 -2.677 22.195 676 HB1 ALA 81 1HB ALA 81 18.176 -1.344 24.258 677 HB2 ALA 81 2HB ALA 81 17.140 -2.770 24.280 678 HB3 ALA 81 3HB ALA 81 16.449 -1.187 23.918 679 HA PRO 82 HA PRO 82 14.963 -3.494 19.311 680 HB2 PRO 82 2HB PRO 82 16.324 -6.120 18.839 681 HB3 PRO 82 1HB PRO 82 15.914 -4.837 17.680 682 HG2 PRO 82 2HG PRO 82 18.455 -5.293 18.376 683 HG3 PRO 82 1HG PRO 82 17.869 -3.634 18.104 684 HD2 PRO 82 2HD PRO 82 18.258 -5.085 20.736 685 HD3 PRO 82 1HD PRO 82 18.765 -3.443 20.267 686 H VAL 83 H VAL 83 13.359 -5.243 19.049 687 HA VAL 83 HA VAL 83 12.497 -6.450 21.539 688 HB VAL 83 HB VAL 83 11.359 -6.724 18.703 689 HG11 VAL 83 1HG1 VAL 83 10.116 -7.592 21.344 690 HG12 VAL 83 2HG1 VAL 83 10.715 -8.661 20.072 691 HG13 VAL 83 3HG1 VAL 83 9.317 -7.631 19.771 692 HG21 VAL 83 1HG2 VAL 83 10.403 -4.983 21.012 693 HG22 VAL 83 2HG2 VAL 83 9.581 -5.167 19.461 694 HG23 VAL 83 3HG2 VAL 83 11.169 -4.411 19.528 695 H SER 84 H SER 84 12.778 -8.575 22.119 696 HA SER 84 HA SER 84 14.902 -10.072 21.172 697 HB2 SER 84 1HB SER 84 13.902 -10.303 23.440 698 HB3 SER 84 2HB SER 84 12.486 -11.084 22.732 699 HG SER 84 HG SER 84 15.158 -12.011 22.886 700 H LYS 85 H LYS 85 15.065 -10.827 19.144 701 HA LYS 85 HA LYS 85 12.777 -11.875 17.662 702 HB2 LYS 85 1HB LYS 85 14.433 -10.391 16.538 703 HB3 LYS 85 2HB LYS 85 15.709 -11.566 16.849 704 HG2 LYS 85 1HG LYS 85 14.607 -13.205 15.398 705 HG3 LYS 85 2HG LYS 85 13.249 -12.104 15.144 706 HD2 LYS 85 1HD LYS 85 14.826 -10.482 14.045 707 HD3 LYS 85 2HD LYS 85 16.125 -11.664 14.231 708 HE2 LYS 85 1HE LYS 85 14.927 -13.245 12.787 709 HE3 LYS 85 2HE LYS 85 13.570 -12.123 12.654 710 HZ1 LYS 85 1HZ LYS 85 15.006 -12.029 10.716 711 HZ2 LYS 85 2HZ LYS 85 16.329 -11.603 11.676 712 HZ3 LYS 85 3HZ LYS 85 15.017 -10.549 11.534 713 H ARG 86 H ARG 86 12.204 -13.870 18.374 714 HA ARG 86 HA ARG 86 14.158 -15.928 19.008 715 HB2 ARG 86 1HB ARG 86 11.773 -15.573 20.091 716 HB3 ARG 86 2HB ARG 86 11.170 -16.431 18.686 717 HG2 ARG 86 1HG ARG 86 13.212 -17.555 20.635 718 HG3 ARG 86 2HG ARG 86 11.484 -17.857 20.726 719 HD2 ARG 86 1HD ARG 86 11.546 -19.071 18.601 720 HD3 ARG 86 2HD ARG 86 13.252 -18.670 18.385 721 HE ARG 86 HE ARG 86 12.929 -20.002 20.831 722 HH11 ARG 86 1HH1 ARG 86 12.800 -20.721 17.379 723 HH12 ARG 86 2HH1 ARG 86 13.254 -22.382 17.595 724 HH21 ARG 86 1HH2 ARG 86 13.525 -22.177 21.093 725 HH22 ARG 86 2HH2 ARG 86 13.662 -23.202 19.699 726 H ARG 87 H ARG 87 15.281 -16.358 17.149 727 HA ARG 87 HA ARG 87 13.853 -17.814 15.040 728 HB2 ARG 87 1HB ARG 87 14.309 -15.386 14.317 729 HB3 ARG 87 2HB ARG 87 16.021 -15.764 14.361 730 HG2 ARG 87 1HG ARG 87 14.085 -17.353 12.654 731 HG3 ARG 87 2HG ARG 87 14.805 -15.857 12.076 732 HD2 ARG 87 1HD ARG 87 17.039 -16.819 12.236 733 HD3 ARG 87 2HD ARG 87 16.396 -18.281 12.981 734 HE ARG 87 HE ARG 87 15.102 -18.105 10.568 735 HH11 ARG 87 1HH1 ARG 87 18.483 -18.254 11.532 736 HH12 ARG 87 2HH1 ARG 87 18.987 -19.063 10.075 737 HH21 ARG 87 1HH2 ARG 87 15.775 -19.207 8.673 738 HH22 ARG 87 2HH2 ARG 87 17.455 -19.599 8.466 739 H ALA 88 H ALA 88 14.654 -19.795 15.268 740 HA ALA 88 HA ALA 88 17.562 -20.262 15.582 741 HB1 ALA 88 1HB ALA 88 16.457 -20.625 17.748 742 HB2 ALA 88 2HB ALA 88 17.011 -22.161 17.081 743 HB3 ALA 88 3HB ALA 88 15.301 -21.731 17.001 744 H ALA 89 H ALA 89 17.568 -23.010 15.313 745 HA ALA 89 HA ALA 89 17.119 -23.391 12.521 746 HB1 ALA 89 1HB ALA 89 17.957 -25.399 14.647 747 HB2 ALA 89 2HB ALA 89 19.033 -24.399 13.669 748 HB3 ALA 89 3HB ALA 89 18.055 -25.642 12.895 Start of MODEL 19 1 H1 MET 1 1H MET 1 6.605 -2.901 7.929 2 H2 MET 1 2H MET 1 7.768 -3.636 6.946 3 H3 MET 1 3H MET 1 6.783 -4.578 7.942 4 HA MET 1 HA MET 1 4.852 -4.004 6.735 5 HB2 MET 1 1HB MET 1 4.932 -2.602 4.735 6 HB3 MET 1 2HB MET 1 5.539 -1.718 6.125 7 HG2 MET 1 1HG MET 1 7.202 -2.932 3.917 8 HG3 MET 1 2HG MET 1 6.855 -1.221 4.144 9 HE1 MET 1 1HE MET 1 7.280 -0.621 7.162 10 HE2 MET 1 2HE MET 1 8.087 0.320 5.905 11 HE3 MET 1 3HE MET 1 9.013 -0.315 7.264 12 H ILE 2 H ILE 2 4.226 -5.666 5.454 13 HA ILE 2 HA ILE 2 6.283 -7.371 4.190 14 HB ILE 2 HB ILE 2 3.460 -8.081 5.159 15 HG12 ILE 2 1HG1 ILE 2 4.761 -9.743 6.660 16 HG13 ILE 2 2HG1 ILE 2 6.220 -8.870 6.222 17 HG21 ILE 2 1HG2 ILE 2 4.004 -9.324 3.075 18 HG22 ILE 2 2HG2 ILE 2 3.892 -10.399 4.466 19 HG23 ILE 2 3HG2 ILE 2 5.474 -9.945 3.829 20 HD11 ILE 2 1HD1 ILE 2 5.405 -8.215 8.406 21 HD12 ILE 2 2HD1 ILE 2 3.849 -7.750 7.717 22 HD13 ILE 2 3HD1 ILE 2 5.308 -6.857 7.288 23 H LEU 3 H LEU 3 6.432 -7.096 2.004 24 HA LEU 3 HA LEU 3 4.315 -5.900 0.446 25 HB2 LEU 3 1HB LEU 3 6.663 -5.361 -0.084 26 HB3 LEU 3 2HB LEU 3 7.016 -7.052 -0.389 27 HG LEU 3 HG LEU 3 5.423 -6.965 -2.367 28 HD11 LEU 3 1HD1 LEU 3 4.019 -5.090 -1.777 29 HD12 LEU 3 2HD1 LEU 3 4.801 -4.782 -3.320 30 HD13 LEU 3 3HD1 LEU 3 5.390 -3.981 -1.861 31 HD21 LEU 3 1HD2 LEU 3 6.978 -5.825 -3.882 32 HD22 LEU 3 2HD2 LEU 3 7.831 -6.819 -2.705 33 HD23 LEU 3 3HD2 LEU 3 7.780 -5.067 -2.502 34 H GLU 4 H GLU 4 2.726 -6.998 -0.537 35 HA GLU 4 HA GLU 4 2.877 -9.947 -0.796 36 HB2 GLU 4 1HB GLU 4 0.363 -8.293 -0.262 37 HB3 GLU 4 2HB GLU 4 0.509 -10.046 -0.234 38 HG2 GLU 4 1HG GLU 4 1.938 -9.916 1.751 39 HG3 GLU 4 2HG GLU 4 1.860 -8.154 1.714 40 H ALA 5 H ALA 5 2.338 -10.789 -2.721 41 HA ALA 5 HA ALA 5 1.049 -9.133 -4.813 42 HB1 ALA 5 1HB ALA 5 3.242 -10.054 -5.488 43 HB2 ALA 5 2HB ALA 5 1.946 -10.812 -6.415 44 HB3 ALA 5 3HB ALA 5 2.703 -11.685 -5.080 45 H HIS 6 H HIS 6 -1.135 -9.472 -4.721 46 HA HIS 6 HA HIS 6 -2.226 -11.926 -3.621 47 HB2 HIS 6 1HB HIS 6 -3.230 -9.555 -3.280 48 HB3 HIS 6 2HB HIS 6 -3.891 -9.718 -4.899 49 HD1 HIS 6 HD1 HIS 6 -5.826 -9.352 -2.623 50 HD2 HIS 6 HD2 HIS 6 -4.573 -13.127 -3.831 51 HE1 HIS 6 HE1 HIS 6 -7.601 -10.947 -1.832 52 HE2 HIS 6 HE2 HIS 6 -6.727 -13.227 -2.429 53 H TYR 7 H TYR 7 -2.896 -13.626 -4.727 54 HA TYR 7 HA TYR 7 -2.723 -14.015 -7.503 55 HB2 TYR 7 2HB TYR 7 -2.696 -15.826 -5.761 56 HB3 TYR 7 1HB TYR 7 -4.392 -15.519 -5.430 57 HD1 TYR 7 1HD TYR 7 -5.965 -16.952 -6.466 58 HD2 TYR 7 2HD TYR 7 -2.144 -16.403 -8.308 59 HE1 TYR 7 1HE TYR 7 -6.545 -18.620 -8.180 60 HE2 TYR 7 2HE TYR 7 -2.728 -18.060 -10.017 61 HH TYR 7 HH TYR 7 -4.275 -19.999 -10.258 62 H THR 8 H THR 8 -4.682 -14.611 -8.898 63 HA THR 8 HA THR 8 -6.136 -12.289 -9.385 64 HB THR 8 HB THR 8 -5.605 -13.971 -11.139 65 HG1 THR 8 1HG THR 8 -7.143 -12.952 -12.129 66 HG21 THR 8 1HG2 THR 8 -6.201 -16.061 -9.939 67 HG22 THR 8 2HG2 THR 8 -7.053 -15.936 -11.477 68 HG23 THR 8 3HG2 THR 8 -7.901 -15.589 -9.971 69 H ASN 9 H ASN 9 -8.326 -11.770 -9.315 70 HA ASN 9 HA ASN 9 -10.204 -13.267 -7.630 71 HB2 ASN 9 1HB ASN 9 -9.198 -10.437 -7.035 72 HB3 ASN 9 2HB ASN 9 -10.799 -10.962 -6.516 73 HD21 ASN 9 1HD2 ASN 9 -7.487 -12.344 -4.607 74 HD22 ASN 9 2HD2 ASN 9 -7.358 -11.481 -6.096 75 H LEU 10 H LEU 10 -12.401 -12.349 -7.799 76 HA LEU 10 HA LEU 10 -12.928 -10.763 -10.239 77 HB2 LEU 10 1HB LEU 10 -14.871 -12.302 -8.466 78 HB3 LEU 10 2HB LEU 10 -15.253 -11.555 -10.010 79 HG LEU 10 HG LEU 10 -13.344 -13.906 -9.647 80 HD11 LEU 10 1HD1 LEU 10 -16.199 -13.931 -10.676 81 HD12 LEU 10 2HD1 LEU 10 -15.635 -14.571 -9.130 82 HD13 LEU 10 3HD1 LEU 10 -15.087 -15.307 -10.631 83 HD21 LEU 10 1HD2 LEU 10 -13.537 -14.125 -12.131 84 HD22 LEU 10 2HD2 LEU 10 -12.702 -12.674 -11.608 85 HD23 LEU 10 3HD2 LEU 10 -14.373 -12.569 -12.171 86 H LYS 11 H LYS 11 -12.707 -10.384 -6.821 87 HA LYS 11 HA LYS 11 -14.041 -7.760 -6.888 88 HB2 LYS 11 1HB LYS 11 -14.452 -9.902 -4.746 89 HB3 LYS 11 2HB LYS 11 -14.954 -8.227 -4.566 90 HG2 LYS 11 1HG LYS 11 -16.009 -10.171 -6.638 91 HG3 LYS 11 2HG LYS 11 -16.836 -9.705 -5.149 92 HD2 LYS 11 1HD LYS 11 -16.937 -7.356 -5.954 93 HD3 LYS 11 2HD LYS 11 -16.114 -7.835 -7.442 94 HE2 LYS 11 1HE LYS 11 -18.021 -9.327 -7.989 95 HE3 LYS 11 2HE LYS 11 -18.841 -8.798 -6.516 96 HZ1 LYS 11 1HZ LYS 11 -19.662 -7.571 -8.391 97 HZ2 LYS 11 2HZ LYS 11 -18.107 -7.095 -8.837 98 HZ3 LYS 11 3HZ LYS 11 -18.789 -6.513 -7.402 99 H CYS 12 H CYS 12 -12.356 -6.405 -6.540 100 HA CYS 12 HA CYS 12 -10.335 -7.001 -4.467 101 HB2 CYS 12 2HB CYS 12 -10.229 -4.952 -6.725 102 HB3 CYS 12 1HB CYS 12 -8.915 -5.355 -5.614 103 H ARG 13 H ARG 13 -10.856 -6.112 -2.528 104 HA ARG 13 HA ARG 13 -12.720 -3.899 -2.277 105 HB2 ARG 13 1HB ARG 13 -11.238 -5.485 -0.135 106 HB3 ARG 13 2HB ARG 13 -12.477 -4.274 0.188 107 HG2 ARG 13 1HG ARG 13 -14.130 -5.663 -1.040 108 HG3 ARG 13 2HG ARG 13 -12.887 -6.885 -1.305 109 HD2 ARG 13 1HD ARG 13 -12.712 -7.255 1.120 110 HD3 ARG 13 2HD ARG 13 -13.896 -5.977 1.416 111 HE ARG 13 HE ARG 13 -14.617 -8.347 -0.181 112 HH11 ARG 13 1HH1 ARG 13 -15.162 -6.393 2.700 113 HH12 ARG 13 2HH1 ARG 13 -16.618 -7.227 3.133 114 HH21 ARG 13 1HH2 ARG 13 -16.510 -9.437 0.400 115 HH22 ARG 13 2HH2 ARG 13 -17.380 -8.958 1.825 116 H CYS 14 H CYS 14 -11.677 -2.109 -3.099 117 HA CYS 14 HA CYS 14 -9.501 -0.948 -1.478 118 HB2 CYS 14 2HB CYS 14 -8.514 -1.940 -3.532 119 HB3 CYS 14 1HB CYS 14 -9.593 -0.967 -4.522 120 H SER 15 H SER 15 -9.577 1.269 -1.244 121 HA SER 15 HA SER 15 -12.034 2.681 -1.914 122 HB2 SER 15 1HB SER 15 -10.952 4.498 -0.495 123 HB3 SER 15 2HB SER 15 -11.182 2.956 0.331 124 HG SER 15 HG SER 15 -9.145 3.262 0.780 125 H GLY 16 H GLY 16 -9.285 2.090 -3.622 126 HA2 GLY 16 1HA GLY 16 -8.817 2.933 -5.754 127 HA3 GLY 16 2HA GLY 16 -9.634 4.436 -5.355 128 H VAL 17 H VAL 17 -8.511 6.068 -4.245 129 HA VAL 17 HA VAL 17 -5.649 5.638 -3.603 130 HB VAL 17 HB VAL 17 -6.749 8.056 -5.131 131 HG11 VAL 17 1HG1 VAL 17 -3.906 7.557 -4.171 132 HG12 VAL 17 2HG1 VAL 17 -5.020 8.781 -3.558 133 HG13 VAL 17 3HG1 VAL 17 -4.420 8.891 -5.210 134 HG21 VAL 17 1HG2 VAL 17 -5.287 7.352 -6.996 135 HG22 VAL 17 2HG2 VAL 17 -6.483 6.113 -6.606 136 HG23 VAL 17 3HG2 VAL 17 -4.810 5.915 -6.080 137 H ILE 18 H ILE 18 -5.187 6.338 -1.604 138 HA ILE 18 HA ILE 18 -6.513 8.720 -0.458 139 HB ILE 18 HB ILE 18 -5.463 6.366 1.202 140 HG12 ILE 18 1HG1 ILE 18 -8.397 7.049 0.696 141 HG13 ILE 18 2HG1 ILE 18 -7.541 5.688 -0.015 142 HG21 ILE 18 1HG2 ILE 18 -6.490 7.502 3.127 143 HG22 ILE 18 2HG2 ILE 18 -7.061 8.800 2.078 144 HG23 ILE 18 3HG2 ILE 18 -5.332 8.564 2.328 145 HD11 ILE 18 1HD1 ILE 18 -8.160 6.080 2.919 146 HD12 ILE 18 2HD1 ILE 18 -7.209 4.749 2.252 147 HD13 ILE 18 3HD1 ILE 18 -8.906 4.929 1.809 148 H SER 19 H SER 19 -4.940 10.285 -0.478 149 HA SER 19 HA SER 19 -2.167 9.543 -0.980 150 HB2 SER 19 1HB SER 19 -3.338 11.252 -2.343 151 HB3 SER 19 2HB SER 19 -3.490 12.280 -0.923 152 HG SER 19 HG SER 19 -1.232 12.450 -0.860 153 H THR 20 H THR 20 -3.301 9.205 1.781 154 HA THR 20 HA THR 20 -1.840 11.055 3.468 155 HB THR 20 HB THR 20 -2.477 9.401 5.315 156 HG1 THR 20 1HG THR 20 -2.724 7.632 3.636 157 HG21 THR 20 1HG2 THR 20 -4.875 9.969 5.315 158 HG22 THR 20 2HG2 THR 20 -4.773 10.429 3.614 159 HG23 THR 20 3HG2 THR 20 -3.898 11.361 4.831 160 H VAL 21 H VAL 21 0.322 10.941 3.637 161 HA VAL 21 HA VAL 21 1.905 8.642 3.074 162 HB VAL 21 HB VAL 21 2.832 10.938 2.875 163 HG11 VAL 21 1HG1 VAL 21 3.578 12.261 4.820 164 HG12 VAL 21 2HG1 VAL 21 2.798 11.109 5.904 165 HG13 VAL 21 3HG1 VAL 21 1.824 12.072 4.798 166 HG21 VAL 21 1HG2 VAL 21 4.373 9.203 4.831 167 HG22 VAL 21 2HG2 VAL 21 5.069 10.491 3.842 168 HG23 VAL 21 3HG2 VAL 21 4.378 9.060 3.072 169 H VAL 22 H VAL 22 1.950 6.853 4.307 170 HA VAL 22 HA VAL 22 0.917 6.931 7.060 171 HB VAL 22 HB VAL 22 1.428 4.455 5.351 172 HG11 VAL 22 1HG1 VAL 22 -0.165 3.352 6.888 173 HG12 VAL 22 2HG1 VAL 22 -0.314 4.847 7.812 174 HG13 VAL 22 3HG1 VAL 22 1.230 3.991 7.764 175 HG21 VAL 22 1HG2 VAL 22 -0.159 5.915 4.159 176 HG22 VAL 22 2HG2 VAL 22 -1.174 6.010 5.601 177 HG23 VAL 22 3HG2 VAL 22 -0.971 4.468 4.765 178 H GLY 23 H GLY 23 2.082 6.207 8.837 179 HA2 GLY 23 1HA GLY 23 4.895 6.476 8.820 180 HA3 GLY 23 2HA GLY 23 3.919 5.915 10.168 181 H LEU 24 H LEU 24 6.495 5.019 8.590 182 HA LEU 24 HA LEU 24 6.038 2.543 7.327 183 HB2 LEU 24 1HB LEU 24 8.521 3.853 8.480 184 HB3 LEU 24 2HB LEU 24 8.602 2.231 7.814 185 HG LEU 24 HG LEU 24 7.950 3.061 5.589 186 HD11 LEU 24 1HD1 LEU 24 7.769 5.444 5.064 187 HD12 LEU 24 2HD1 LEU 24 7.869 5.839 6.782 188 HD13 LEU 24 3HD1 LEU 24 6.494 4.920 6.162 189 HD21 LEU 24 1HD2 LEU 24 10.247 4.645 6.775 190 HD22 LEU 24 2HD2 LEU 24 9.981 4.333 5.055 191 HD23 LEU 24 3HD2 LEU 24 10.324 2.997 6.149 192 H ASN 25 H ASN 25 6.619 3.344 10.675 193 HA ASN 25 HA ASN 25 7.200 0.705 11.626 194 HB2 ASN 25 1HB ASN 25 7.081 1.709 13.866 195 HB3 ASN 25 2HB ASN 25 8.041 2.706 12.783 196 HD21 ASN 25 1HD2 ASN 25 5.607 4.711 14.896 197 HD22 ASN 25 2HD2 ASN 25 6.669 3.405 15.279 198 H ILE 26 H ILE 26 4.238 2.450 11.007 199 HA ILE 26 HA ILE 26 2.652 0.425 12.483 200 HB ILE 26 HB ILE 26 0.727 1.896 12.385 201 HG12 ILE 26 1HG1 ILE 26 2.430 3.861 10.774 202 HG13 ILE 26 2HG1 ILE 26 1.102 2.900 10.137 203 HG21 ILE 26 1HG2 ILE 26 1.504 3.778 13.777 204 HG22 ILE 26 2HG2 ILE 26 3.168 3.482 13.271 205 HG23 ILE 26 3HG2 ILE 26 2.310 2.275 14.233 206 HD11 ILE 26 1HD1 ILE 26 0.395 5.163 10.488 207 HD12 ILE 26 2HD1 ILE 26 0.885 5.109 12.180 208 HD13 ILE 26 3HD1 ILE 26 -0.456 4.105 11.613 209 H ILE 27 H ILE 27 3.635 1.265 9.282 210 HA ILE 27 HA ILE 27 1.456 0.081 7.855 211 HB ILE 27 HB ILE 27 4.371 0.350 6.972 212 HG12 ILE 27 1HG1 ILE 27 1.939 2.057 6.273 213 HG13 ILE 27 2HG1 ILE 27 3.231 2.526 7.365 214 HG21 ILE 27 1HG2 ILE 27 3.540 -0.060 4.678 215 HG22 ILE 27 2HG2 ILE 27 1.917 -0.344 5.307 216 HG23 ILE 27 3HG2 ILE 27 3.228 -1.448 5.721 217 HD11 ILE 27 1HD1 ILE 27 3.437 2.102 4.391 218 HD12 ILE 27 2HD1 ILE 27 4.818 2.372 5.458 219 HD13 ILE 27 3HD1 ILE 27 3.586 3.615 5.290 220 H ASP 28 H ASP 28 0.867 -1.947 8.034 221 HA ASP 28 HA ASP 28 2.567 -4.030 9.138 222 HB2 ASP 28 1HB ASP 28 0.227 -3.717 9.897 223 HB3 ASP 28 2HB ASP 28 -0.359 -4.031 8.278 224 H ARG 29 H ARG 29 0.621 -3.461 6.195 225 HA ARG 29 HA ARG 29 2.295 -5.340 4.638 226 HB2 ARG 29 1HB ARG 29 -0.756 -5.494 4.867 227 HB3 ARG 29 2HB ARG 29 0.190 -6.367 3.661 228 HG2 ARG 29 1HG ARG 29 1.214 -7.754 5.316 229 HG3 ARG 29 2HG ARG 29 0.637 -6.732 6.633 230 HD2 ARG 29 1HD ARG 29 -1.721 -7.391 5.971 231 HD3 ARG 29 2HD ARG 29 -1.008 -8.575 4.870 232 HE ARG 29 HE ARG 29 -0.486 -8.578 7.790 233 HH11 ARG 29 1HH1 ARG 29 -1.300 -10.339 4.859 234 HH12 ARG 29 2HH1 ARG 29 -1.322 -11.882 5.651 235 HH21 ARG 29 1HH2 ARG 29 -0.575 -10.606 8.829 236 HH22 ARG 29 2HH2 ARG 29 -0.910 -12.033 7.898 237 H ILE 30 H ILE 30 2.557 -4.736 2.548 238 HA ILE 30 HA ILE 30 0.811 -2.664 1.330 239 HB ILE 30 HB ILE 30 3.803 -3.143 0.818 240 HG12 ILE 30 1HG1 ILE 30 2.379 -0.748 2.051 241 HG13 ILE 30 2HG1 ILE 30 3.391 -1.901 2.907 242 HG21 ILE 30 1HG2 ILE 30 1.965 -1.131 -0.531 243 HG22 ILE 30 2HG2 ILE 30 2.633 -2.585 -1.281 244 HG23 ILE 30 3HG2 ILE 30 3.707 -1.279 -0.781 245 HD11 ILE 30 1HD1 ILE 30 4.329 0.031 0.784 246 HD12 ILE 30 2HD1 ILE 30 5.340 -1.130 1.655 247 HD13 ILE 30 3HD1 ILE 30 4.544 0.175 2.526 248 H GLN 31 H GLN 31 -0.501 -3.856 0.045 249 HA GLN 31 HA GLN 31 0.560 -6.207 -1.420 250 HB2 GLN 31 1HB GLN 31 -1.122 -6.855 0.177 251 HB3 GLN 31 2HB GLN 31 -2.197 -5.557 -0.317 252 HG2 GLN 31 1HG GLN 31 -2.608 -6.680 -2.455 253 HG3 GLN 31 2HG GLN 31 -1.477 -7.960 -2.021 254 HE21 GLN 31 1HE2 GLN 31 -3.870 -8.981 0.701 255 HE22 GLN 31 2HE2 GLN 31 -2.268 -8.334 0.703 256 H VAL 32 H VAL 32 0.778 -5.924 -3.514 257 HA VAL 32 HA VAL 32 -0.614 -3.814 -4.979 258 HB VAL 32 HB VAL 32 1.380 -5.901 -6.005 259 HG11 VAL 32 1HG1 VAL 32 0.397 -3.338 -7.316 260 HG12 VAL 32 2HG1 VAL 32 -0.039 -4.978 -7.795 261 HG13 VAL 32 3HG1 VAL 32 1.627 -4.427 -7.967 262 HG21 VAL 32 1HG2 VAL 32 3.091 -4.111 -5.898 263 HG22 VAL 32 2HG2 VAL 32 2.440 -4.470 -4.297 264 HG23 VAL 32 3HG2 VAL 32 1.913 -3.022 -5.157 265 H THR 33 H THR 33 -2.536 -4.197 -5.907 266 HA THR 33 HA THR 33 -3.379 -6.932 -6.601 267 HB THR 33 HB THR 33 -5.676 -5.845 -6.803 268 HG1 THR 33 1HG THR 33 -5.792 -3.756 -6.644 269 HG21 THR 33 1HG2 THR 33 -4.353 -5.605 -4.074 270 HG22 THR 33 2HG2 THR 33 -5.075 -7.073 -4.739 271 HG23 THR 33 3HG2 THR 33 -6.091 -5.677 -4.370 272 HA PRO 34 HA PRO 34 -2.240 -5.612 -10.775 273 HB2 PRO 34 2HB PRO 34 -2.433 -7.970 -12.058 274 HB3 PRO 34 1HB PRO 34 -1.276 -7.765 -10.726 275 HG2 PRO 34 2HG PRO 34 -3.990 -9.059 -10.661 276 HG3 PRO 34 1HG PRO 34 -2.456 -9.640 -9.978 277 HD2 PRO 34 2HD PRO 34 -4.379 -8.301 -8.500 278 HD3 PRO 34 1HD PRO 34 -2.648 -8.338 -8.086 279 HA PRO 35 HA PRO 35 -6.089 -4.823 -13.034 280 HB2 PRO 35 2HB PRO 35 -5.160 -3.906 -15.395 281 HB3 PRO 35 1HB PRO 35 -4.845 -3.010 -13.890 282 HG2 PRO 35 2HG PRO 35 -3.025 -4.890 -15.369 283 HG3 PRO 35 1HG PRO 35 -2.660 -3.287 -14.688 284 HD2 PRO 35 2HD PRO 35 -2.066 -5.646 -13.390 285 HD3 PRO 35 1HD PRO 35 -2.384 -4.118 -12.536 286 H GLY 36 H GLY 36 -7.278 -5.448 -15.032 287 HA2 GLY 36 1HA GLY 36 -8.004 -6.887 -16.665 288 HA3 GLY 36 2HA GLY 36 -6.386 -7.569 -16.751 289 H ASN 37 H ASN 37 -5.973 -9.494 -15.752 290 HA ASN 37 HA ASN 37 -8.192 -11.017 -14.660 291 HB2 ASN 37 1HB ASN 37 -6.520 -12.042 -16.250 292 HB3 ASN 37 2HB ASN 37 -5.270 -11.848 -15.024 293 HD21 ASN 37 1HD2 ASN 37 -5.995 -15.160 -14.118 294 HD22 ASN 37 2HD2 ASN 37 -4.860 -14.042 -14.790 295 H GLY 38 H GLY 38 -8.629 -9.905 -12.743 296 HA2 GLY 38 1HA GLY 38 -7.896 -10.735 -10.327 297 HA3 GLY 38 2HA GLY 38 -6.579 -9.612 -10.656 298 H CYS 39 H CYS 39 -7.262 -7.419 -11.373 299 HA CYS 39 HA CYS 39 -9.692 -6.465 -9.972 300 HB2 CYS 39 2HB CYS 39 -6.939 -5.143 -9.926 301 HB3 CYS 39 1HB CYS 39 -8.392 -4.548 -9.122 302 HA PRO 40 HA PRO 40 -10.551 -4.244 -13.781 303 HB2 PRO 40 2HB PRO 40 -11.793 -1.946 -12.876 304 HB3 PRO 40 1HB PRO 40 -12.568 -3.542 -12.865 305 HG2 PRO 40 2HG PRO 40 -11.191 -2.111 -10.612 306 HG3 PRO 40 1HG PRO 40 -12.746 -2.974 -10.609 307 HD2 PRO 40 2HD PRO 40 -10.503 -4.129 -9.651 308 HD3 PRO 40 1HD PRO 40 -11.733 -5.083 -10.514 309 H LYS 41 H LYS 41 -8.539 -2.712 -11.352 310 HA LYS 41 HA LYS 41 -6.879 -1.559 -13.452 311 HB2 LYS 41 1HB LYS 41 -6.741 0.688 -12.479 312 HB3 LYS 41 2HB LYS 41 -8.404 0.322 -12.922 313 HG2 LYS 41 1HG LYS 41 -8.955 -0.126 -10.556 314 HG3 LYS 41 2HG LYS 41 -7.279 0.203 -10.101 315 HD2 LYS 41 1HD LYS 41 -7.573 2.541 -11.046 316 HD3 LYS 41 2HD LYS 41 -9.286 2.177 -11.264 317 HE2 LYS 41 1HE LYS 41 -7.814 2.171 -8.601 318 HE3 LYS 41 2HE LYS 41 -8.851 3.466 -9.192 319 HZ1 LYS 41 1HZ LYS 41 -10.702 1.858 -9.213 320 HZ2 LYS 41 2HZ LYS 41 -10.069 2.113 -7.669 321 HZ3 LYS 41 3HZ LYS 41 -9.694 0.699 -8.516 322 H THR 42 H THR 42 -4.788 -0.630 -12.437 323 HA THR 42 HA THR 42 -3.674 -2.528 -10.572 324 HB THR 42 HB THR 42 -2.304 0.008 -11.571 325 HG1 THR 42 1HG THR 42 -1.572 -1.976 -13.123 326 HG21 THR 42 1HG2 THR 42 -1.173 -2.720 -10.808 327 HG22 THR 42 2HG2 THR 42 -1.085 -1.260 -9.818 328 HG23 THR 42 3HG2 THR 42 -0.235 -1.332 -11.363 329 H GLU 43 H GLU 43 -3.899 -2.283 -8.409 330 HA GLU 43 HA GLU 43 -4.082 0.423 -7.184 331 HB2 GLU 43 1HB GLU 43 -5.664 -2.008 -6.226 332 HB3 GLU 43 2HB GLU 43 -5.837 -0.340 -5.692 333 HG2 GLU 43 1HG GLU 43 -6.847 0.316 -7.763 334 HG3 GLU 43 2HG GLU 43 -6.435 -1.219 -8.526 335 H VAL 44 H VAL 44 -3.341 0.482 -4.937 336 HA VAL 44 HA VAL 44 -1.724 -1.828 -4.015 337 HB VAL 44 HB VAL 44 -0.849 1.102 -3.743 338 HG11 VAL 44 1HG1 VAL 44 1.249 0.161 -2.806 339 HG12 VAL 44 2HG1 VAL 44 0.568 -1.463 -2.914 340 HG13 VAL 44 3HG1 VAL 44 -0.153 -0.273 -1.828 341 HG21 VAL 44 1HG2 VAL 44 -0.580 0.337 -6.071 342 HG22 VAL 44 2HG2 VAL 44 0.324 -1.075 -5.519 343 HG23 VAL 44 3HG2 VAL 44 0.995 0.541 -5.302 344 H VAL 45 H VAL 45 -2.886 -2.541 -2.340 345 HA VAL 45 HA VAL 45 -4.293 -0.703 -0.538 346 HB VAL 45 HB VAL 45 -4.464 -3.752 -0.601 347 HG11 VAL 45 1HG1 VAL 45 -6.254 -1.689 0.729 348 HG12 VAL 45 2HG1 VAL 45 -5.145 -2.794 1.548 349 HG13 VAL 45 3HG1 VAL 45 -6.550 -3.430 0.690 350 HG21 VAL 45 1HG2 VAL 45 -6.623 -3.486 -1.794 351 HG22 VAL 45 2HG2 VAL 45 -5.269 -2.893 -2.756 352 HG23 VAL 45 3HG2 VAL 45 -6.329 -1.750 -1.932 353 H ILE 46 H ILE 46 -3.066 0.012 1.089 354 HA ILE 46 HA ILE 46 -1.070 -1.662 2.452 355 HB ILE 46 HB ILE 46 -1.785 1.292 2.793 356 HG12 ILE 46 1HG1 ILE 46 0.631 0.004 1.446 357 HG13 ILE 46 2HG1 ILE 46 -0.655 0.905 0.651 358 HG21 ILE 46 1HG2 ILE 46 0.192 1.493 4.244 359 HG22 ILE 46 2HG2 ILE 46 0.481 -0.242 4.114 360 HG23 ILE 46 3HG2 ILE 46 -0.975 0.353 4.920 361 HD11 ILE 46 1HD1 ILE 46 1.288 2.275 0.818 362 HD12 ILE 46 2HD1 ILE 46 1.416 2.016 2.549 363 HD13 ILE 46 3HD1 ILE 46 0.060 2.937 1.886 364 H TRP 47 H TRP 47 -1.728 -2.792 4.264 365 HA TRP 47 HA TRP 47 -3.929 -1.757 5.957 366 HB2 TRP 47 2HB TRP 47 -2.457 -4.430 5.941 367 HB3 TRP 47 1HB TRP 47 -3.558 -3.963 7.232 368 HD1 TRP 47 1HD TRP 47 -6.173 -4.078 6.731 369 HE1 TRP 47 1HE TRP 47 -7.527 -5.161 4.825 370 HE3 TRP 47 3HE TRP 47 -2.407 -4.870 3.369 371 HZ2 TRP 47 2HZ TRP 47 -7.090 -6.201 2.275 372 HZ3 TRP 47 3HZ TRP 47 -2.975 -5.912 1.225 373 HH2 TRP 47 2HH TRP 47 -5.260 -6.567 0.674 374 H THR 48 H THR 48 -3.524 -0.867 7.950 375 HA THR 48 HA THR 48 -0.744 -0.660 8.917 376 HB THR 48 HB THR 48 -1.684 0.751 10.744 377 HG1 THR 48 1HG THR 48 -3.997 1.343 10.429 378 HG21 THR 48 1HG2 THR 48 -1.061 1.857 8.631 379 HG22 THR 48 2HG2 THR 48 -2.453 2.652 9.370 380 HG23 THR 48 3HG2 THR 48 -2.684 1.572 7.993 381 H LYS 49 H LYS 49 -0.456 -1.089 11.397 382 HA LYS 49 HA LYS 49 -1.017 -3.843 11.949 383 HB2 LYS 49 1HB LYS 49 0.183 -1.725 13.776 384 HB3 LYS 49 2HB LYS 49 0.198 -3.457 14.080 385 HG2 LYS 49 1HG LYS 49 1.580 -3.743 11.989 386 HG3 LYS 49 2HG LYS 49 1.652 -1.981 11.858 387 HD2 LYS 49 1HD LYS 49 3.696 -2.816 12.914 388 HD3 LYS 49 2HD LYS 49 2.765 -1.884 14.090 389 HE2 LYS 49 1HE LYS 49 1.914 -3.978 15.080 390 HE3 LYS 49 2HE LYS 49 2.803 -4.916 13.878 391 HZ1 LYS 49 1HZ LYS 49 3.949 -3.221 16.029 392 HZ2 LYS 49 2HZ LYS 49 4.865 -3.898 14.786 393 HZ3 LYS 49 3HZ LYS 49 4.057 -4.901 15.878 394 H MET 50 H MET 50 -2.634 -0.901 12.689 395 HA MET 50 HA MET 50 -4.406 -2.032 14.713 396 HB2 MET 50 1HB MET 50 -4.466 0.658 13.267 397 HB3 MET 50 2HB MET 50 -5.508 0.213 14.613 398 HG2 MET 50 1HG MET 50 -3.571 0.078 16.100 399 HG3 MET 50 2HG MET 50 -2.491 0.426 14.751 400 HE1 MET 50 1HE MET 50 -4.021 2.692 13.138 401 HE2 MET 50 2HE MET 50 -2.306 2.794 13.548 402 HE3 MET 50 3HE MET 50 -3.379 4.146 13.901 403 H LYS 51 H LYS 51 -4.121 -2.582 11.539 404 HA LYS 51 HA LYS 51 -5.343 -3.509 9.919 405 HB2 LYS 51 1HB LYS 51 -7.392 -3.941 12.124 406 HB3 LYS 51 2HB LYS 51 -7.481 -4.683 10.530 407 HG2 LYS 51 1HG LYS 51 -5.353 -5.874 10.958 408 HG3 LYS 51 2HG LYS 51 -5.263 -5.138 12.564 409 HD2 LYS 51 1HD LYS 51 -6.142 -7.419 12.733 410 HD3 LYS 51 2HD LYS 51 -7.395 -6.261 13.185 411 HE2 LYS 51 1HE LYS 51 -8.375 -6.494 10.897 412 HE3 LYS 51 2HE LYS 51 -7.148 -7.710 10.527 413 HZ1 LYS 51 1HZ LYS 51 -8.012 -9.033 12.397 414 HZ2 LYS 51 2HZ LYS 51 -9.165 -8.787 11.187 415 HZ3 LYS 51 3HZ LYS 51 -9.246 -7.897 12.621 416 H LYS 52 H LYS 52 -5.429 -0.733 9.966 417 HA LYS 52 HA LYS 52 -8.099 -0.076 8.928 418 HB2 LYS 52 1HB LYS 52 -5.588 1.596 9.352 419 HB3 LYS 52 2HB LYS 52 -6.904 2.181 8.342 420 HG2 LYS 52 1HG LYS 52 -7.168 3.158 10.523 421 HG3 LYS 52 2HG LYS 52 -8.453 1.966 10.313 422 HD2 LYS 52 1HD LYS 52 -7.088 0.338 11.652 423 HD3 LYS 52 2HD LYS 52 -5.894 1.610 11.922 424 HE2 LYS 52 1HE LYS 52 -7.324 1.417 13.879 425 HE3 LYS 52 2HE LYS 52 -7.663 2.955 13.086 426 HZ1 LYS 52 1HZ LYS 52 -9.295 0.487 12.744 427 HZ2 LYS 52 2HZ LYS 52 -9.654 2.018 12.133 428 HZ3 LYS 52 3HZ LYS 52 -9.672 1.750 13.801 429 H VAL 53 H VAL 53 -8.590 -0.466 6.906 430 HA VAL 53 HA VAL 53 -6.671 -1.392 4.947 431 HB VAL 53 HB VAL 53 -9.663 -0.905 4.513 432 HG11 VAL 53 1HG1 VAL 53 -8.352 -1.204 2.451 433 HG12 VAL 53 2HG1 VAL 53 -9.459 -2.554 2.702 434 HG13 VAL 53 3HG1 VAL 53 -7.739 -2.749 3.053 435 HG21 VAL 53 1HG2 VAL 53 -8.341 -3.409 5.604 436 HG22 VAL 53 2HG2 VAL 53 -10.001 -3.340 5.016 437 HG23 VAL 53 3HG2 VAL 53 -9.520 -2.387 6.421 438 H ILE 54 H ILE 54 -5.559 0.095 3.841 439 HA ILE 54 HA ILE 54 -6.753 2.716 3.082 440 HB ILE 54 HB ILE 54 -3.810 2.102 3.715 441 HG12 ILE 54 1HG1 ILE 54 -5.823 3.662 5.398 442 HG13 ILE 54 2HG1 ILE 54 -5.204 2.059 5.771 443 HG21 ILE 54 1HG2 ILE 54 -5.101 4.789 3.129 444 HG22 ILE 54 2HG2 ILE 54 -4.071 3.883 2.019 445 HG23 ILE 54 3HG2 ILE 54 -3.402 4.514 3.524 446 HD11 ILE 54 1HD1 ILE 54 -4.119 3.689 7.137 447 HD12 ILE 54 2HD1 ILE 54 -3.624 4.628 5.733 448 HD13 ILE 54 3HD1 ILE 54 -2.945 3.021 6.007 449 H CYS 55 H CYS 55 -6.430 3.289 0.899 450 HA CYS 55 HA CYS 55 -4.748 1.537 -0.809 451 HB2 CYS 55 2HB CYS 55 -7.288 3.069 -1.484 452 HB3 CYS 55 1HB CYS 55 -6.194 2.449 -2.716 453 H VAL 56 H VAL 56 -3.424 2.574 -2.338 454 HA VAL 56 HA VAL 56 -3.113 5.502 -2.222 455 HB VAL 56 HB VAL 56 -0.621 5.296 -2.003 456 HG11 VAL 56 1HG1 VAL 56 -0.526 4.836 0.438 457 HG12 VAL 56 2HG1 VAL 56 -2.168 4.196 0.367 458 HG13 VAL 56 3HG1 VAL 56 -1.866 5.895 -0.007 459 HG21 VAL 56 1HG2 VAL 56 -0.357 2.971 -2.762 460 HG22 VAL 56 2HG2 VAL 56 -1.143 2.386 -1.295 461 HG23 VAL 56 3HG2 VAL 56 0.411 3.218 -1.193 462 H ASN 57 H ASN 57 -1.869 6.330 -4.030 463 HA ASN 57 HA ASN 57 -2.217 4.961 -6.520 464 HB2 ASN 57 1HB ASN 57 -1.030 6.967 -7.519 465 HB3 ASN 57 2HB ASN 57 -2.443 7.367 -6.564 466 HD21 ASN 57 1HD2 ASN 57 0.616 9.537 -5.790 467 HD22 ASN 57 2HD2 ASN 57 0.039 8.924 -7.294 468 HA PRO 58 HA PRO 58 1.695 2.734 -6.542 469 HB2 PRO 58 2HB PRO 58 1.894 2.124 -9.225 470 HB3 PRO 58 1HB PRO 58 0.731 1.339 -8.138 471 HG2 PRO 58 2HG PRO 58 0.265 3.634 -10.025 472 HG3 PRO 58 1HG PRO 58 -0.710 2.166 -9.778 473 HD2 PRO 58 2HD PRO 58 -1.402 4.504 -8.619 474 HD3 PRO 58 1HD PRO 58 -1.652 2.951 -7.788 475 H ARG 59 H ARG 59 1.296 5.721 -8.267 476 HA ARG 59 HA ARG 59 4.111 5.921 -9.083 477 HB2 ARG 59 1HB ARG 59 1.720 7.757 -9.516 478 HB3 ARG 59 2HB ARG 59 3.350 8.166 -10.036 479 HG2 ARG 59 1HG ARG 59 3.366 6.204 -11.541 480 HG3 ARG 59 2HG ARG 59 1.727 5.795 -11.028 481 HD2 ARG 59 1HD ARG 59 0.850 7.840 -11.981 482 HD3 ARG 59 2HD ARG 59 2.477 8.437 -12.334 483 HE ARG 59 HE ARG 59 2.197 6.015 -13.673 484 HH11 ARG 59 1HH1 ARG 59 0.686 9.194 -13.763 485 HH12 ARG 59 2HH1 ARG 59 0.303 9.101 -15.455 486 HH21 ARG 59 1HH2 ARG 59 1.710 5.917 -15.906 487 HH22 ARG 59 2HH2 ARG 59 0.883 7.237 -16.665 488 H ALA 60 H ALA 60 2.589 6.404 -6.207 489 HA ALA 60 HA ALA 60 3.521 8.936 -5.314 490 HB1 ALA 60 1HB ALA 60 3.114 8.018 -3.022 491 HB2 ALA 60 2HB ALA 60 2.846 6.425 -3.734 492 HB3 ALA 60 3HB ALA 60 1.754 7.755 -4.114 493 H LYS 61 H LYS 61 5.559 9.574 -4.773 494 HA LYS 61 HA LYS 61 7.779 7.852 -5.345 495 HB2 LYS 61 1HB LYS 61 7.660 10.746 -4.406 496 HB3 LYS 61 2HB LYS 61 9.184 9.900 -4.642 497 HG2 LYS 61 1HG LYS 61 8.840 11.156 -6.619 498 HG3 LYS 61 2HG LYS 61 8.466 9.486 -7.044 499 HD2 LYS 61 1HD LYS 61 6.029 10.013 -6.774 500 HD3 LYS 61 2HD LYS 61 6.457 11.701 -6.467 501 HE2 LYS 61 1HE LYS 61 5.765 11.340 -8.815 502 HE3 LYS 61 2HE LYS 61 7.447 11.870 -8.719 503 HZ1 LYS 61 1HZ LYS 61 6.563 9.043 -9.043 504 HZ2 LYS 61 2HZ LYS 61 8.164 9.584 -9.022 505 HZ3 LYS 61 3HZ LYS 61 7.141 10.027 -10.288 506 H TRP 62 H TRP 62 6.369 9.119 -2.333 507 HA TRP 62 HA TRP 62 8.383 8.220 -0.556 508 HB2 TRP 62 2HB TRP 62 6.732 8.421 1.247 509 HB3 TRP 62 1HB TRP 62 6.579 9.792 0.158 510 HD1 TRP 62 1HD TRP 62 4.322 9.866 -1.397 511 HE1 TRP 62 1HE TRP 62 1.991 8.847 -1.016 512 HE3 TRP 62 3HE TRP 62 5.490 6.413 2.203 513 HZ2 TRP 62 2HZ TRP 62 0.803 6.886 0.578 514 HZ3 TRP 62 3HZ TRP 62 3.685 4.995 3.104 515 HH2 TRP 62 2HH TRP 62 1.383 5.225 2.303 516 H LEU 63 H LEU 63 5.484 6.676 -1.875 517 HA LEU 63 HA LEU 63 5.623 4.175 -0.605 518 HB2 LEU 63 1HB LEU 63 3.626 4.949 -1.805 519 HB3 LEU 63 2HB LEU 63 4.517 4.990 -3.316 520 HG LEU 63 HG LEU 63 4.782 2.459 -3.120 521 HD11 LEU 63 1HD1 LEU 63 4.409 2.103 -0.789 522 HD12 LEU 63 2HD1 LEU 63 3.155 1.254 -1.692 523 HD13 LEU 63 3HD1 LEU 63 2.785 2.779 -0.889 524 HD21 LEU 63 1HD2 LEU 63 1.976 3.551 -3.411 525 HD22 LEU 63 2HD2 LEU 63 2.537 1.975 -3.969 526 HD23 LEU 63 3HD2 LEU 63 3.205 3.441 -4.671 527 H GLN 64 H GLN 64 7.065 5.389 -3.632 528 HA GLN 64 HA GLN 64 8.105 2.990 -4.642 529 HB2 GLN 64 1HB GLN 64 8.913 5.892 -5.054 530 HB3 GLN 64 2HB GLN 64 9.773 4.585 -5.865 531 HG2 GLN 64 1HG GLN 64 6.796 5.124 -6.122 532 HG3 GLN 64 2HG GLN 64 8.028 5.614 -7.288 533 HE21 GLN 64 1HE2 GLN 64 6.372 2.280 -8.125 534 HE22 GLN 64 2HE2 GLN 64 5.708 3.752 -7.524 535 H ARG 65 H ARG 65 9.576 5.366 -2.428 536 HA ARG 65 HA ARG 65 12.114 4.249 -2.116 537 HB2 ARG 65 1HB ARG 65 10.378 5.694 -0.073 538 HB3 ARG 65 2HB ARG 65 12.056 5.255 0.228 539 HG2 ARG 65 1HG ARG 65 12.735 6.666 -1.720 540 HG3 ARG 65 2HG ARG 65 11.051 7.165 -1.910 541 HD2 ARG 65 1HD ARG 65 12.320 8.868 -0.691 542 HD3 ARG 65 2HD ARG 65 11.093 8.151 0.358 543 HE ARG 65 HE ARG 65 13.716 6.932 0.564 544 HH11 ARG 65 1HH1 ARG 65 11.623 9.476 1.846 545 HH12 ARG 65 2HH1 ARG 65 12.488 9.598 3.346 546 HH21 ARG 65 1HH2 ARG 65 14.820 7.093 2.544 547 HH22 ARG 65 2HH2 ARG 65 14.302 8.243 3.732 548 H LEU 66 H LEU 66 9.066 3.498 -0.479 549 HA LEU 66 HA LEU 66 10.087 1.509 1.272 550 HB2 LEU 66 1HB LEU 66 7.295 2.303 0.397 551 HB3 LEU 66 2HB LEU 66 7.528 0.830 1.322 552 HG LEU 66 HG LEU 66 8.499 2.110 3.198 553 HD11 LEU 66 1HD1 LEU 66 7.911 4.630 1.641 554 HD12 LEU 66 2HD1 LEU 66 9.513 3.981 1.996 555 HD13 LEU 66 3HD1 LEU 66 8.478 4.532 3.309 556 HD21 LEU 66 1HD2 LEU 66 6.153 1.691 3.276 557 HD22 LEU 66 2HD2 LEU 66 5.798 3.095 2.267 558 HD23 LEU 66 3HD2 LEU 66 6.440 3.310 3.899 559 H LEU 67 H LEU 67 8.451 1.271 -1.915 560 HA LEU 67 HA LEU 67 8.177 -1.519 -2.053 561 HB2 LEU 67 1HB LEU 67 8.501 0.480 -4.338 562 HB3 LEU 67 2HB LEU 67 8.006 -1.191 -4.556 563 HG LEU 67 HG LEU 67 6.425 0.941 -3.056 564 HD11 LEU 67 1HD1 LEU 67 6.442 1.353 -5.464 565 HD12 LEU 67 2HD1 LEU 67 4.844 0.848 -4.925 566 HD13 LEU 67 3HD1 LEU 67 5.888 -0.296 -5.778 567 HD21 LEU 67 1HD2 LEU 67 5.672 -1.941 -3.660 568 HD22 LEU 67 2HD2 LEU 67 4.594 -0.715 -2.983 569 HD23 LEU 67 3HD2 LEU 67 5.999 -1.243 -2.070 570 H ARG 68 H ARG 68 10.908 0.562 -2.866 571 HA ARG 68 HA ARG 68 12.515 -1.599 -3.979 572 HB2 ARG 68 1HB ARG 68 13.296 1.256 -3.254 573 HB3 ARG 68 2HB ARG 68 14.267 0.134 -4.202 574 HG2 ARG 68 1HG ARG 68 12.553 0.133 -5.986 575 HG3 ARG 68 2HG ARG 68 11.550 1.227 -5.030 576 HD2 ARG 68 1HD ARG 68 12.692 2.550 -6.680 577 HD3 ARG 68 2HD ARG 68 13.436 2.905 -5.119 578 HE ARG 68 HE ARG 68 14.623 0.955 -6.987 579 HH11 ARG 68 1HH1 ARG 68 15.008 3.898 -5.090 580 HH12 ARG 68 2HH1 ARG 68 16.712 4.005 -5.397 581 HH21 ARG 68 1HH2 ARG 68 16.824 1.088 -7.361 582 HH22 ARG 68 2HH2 ARG 68 17.740 2.404 -6.692 583 H HIS 69 H HIS 69 12.150 0.050 -0.880 584 HA HIS 69 HA HIS 69 14.659 -0.945 0.232 585 HB2 HIS 69 1HB HIS 69 13.810 1.371 0.662 586 HB3 HIS 69 2HB HIS 69 12.449 0.701 1.548 587 HD1 HIS 69 HD1 HIS 69 12.792 0.469 4.004 588 HD2 HIS 69 HD2 HIS 69 16.392 0.777 1.956 589 HE1 HIS 69 HE1 HIS 69 14.565 0.637 5.769 590 HE2 HIS 69 HE2 HIS 69 16.736 0.668 4.505 591 H VAL 70 H VAL 70 11.386 -2.091 0.139 592 HA VAL 70 HA VAL 70 11.327 -3.533 2.626 593 HB VAL 70 HB VAL 70 9.406 -4.832 1.710 594 HG11 VAL 70 1HG1 VAL 70 9.118 -1.848 1.302 595 HG12 VAL 70 2HG1 VAL 70 8.979 -2.710 2.827 596 HG13 VAL 70 3HG1 VAL 70 7.803 -2.996 1.547 597 HG21 VAL 70 1HG2 VAL 70 9.795 -3.243 -0.854 598 HG22 VAL 70 2HG2 VAL 70 8.450 -4.328 -0.495 599 HG23 VAL 70 3HG2 VAL 70 10.084 -4.973 -0.650 600 H GLN 71 H GLN 71 12.984 -4.088 -0.233 601 HA GLN 71 HA GLN 71 13.210 -6.932 -0.268 602 HB2 GLN 71 1HB GLN 71 15.016 -4.731 -1.371 603 HB3 GLN 71 2HB GLN 71 15.169 -6.438 -1.773 604 HG2 GLN 71 1HG GLN 71 12.937 -6.395 -2.826 605 HG3 GLN 71 2HG GLN 71 12.769 -4.690 -2.404 606 HE21 GLN 71 1HE2 GLN 71 13.878 -4.075 -5.685 607 HE22 GLN 71 2HE2 GLN 71 12.545 -4.081 -4.585 608 H SER 72 H SER 72 16.027 -7.349 -0.346 609 HA SER 72 HA SER 72 16.638 -7.605 2.469 610 HB2 SER 72 1HB SER 72 18.666 -8.844 1.610 611 HB3 SER 72 2HB SER 72 17.141 -9.468 0.978 612 HG SER 72 HG SER 72 19.101 -7.908 -0.326 613 H LYS 73 H LYS 73 16.713 -4.861 1.009 614 HA LYS 73 HA LYS 73 19.303 -3.758 1.196 615 HB2 LYS 73 1HB LYS 73 17.326 -2.675 0.062 616 HB3 LYS 73 2HB LYS 73 16.600 -2.393 1.639 617 HG2 LYS 73 1HG LYS 73 17.602 -0.337 0.864 618 HG3 LYS 73 2HG LYS 73 18.539 -0.937 2.233 619 HD2 LYS 73 1HD LYS 73 20.036 -0.101 0.488 620 HD3 LYS 73 2HD LYS 73 20.233 -1.845 0.664 621 HE2 LYS 73 1HE LYS 73 18.777 -2.185 -1.335 622 HE3 LYS 73 2HE LYS 73 18.640 -0.434 -1.514 623 HZ1 LYS 73 1HZ LYS 73 21.029 -0.316 -1.843 624 HZ2 LYS 73 2HZ LYS 73 20.329 -1.364 -2.977 625 HZ3 LYS 73 3HZ LYS 73 21.169 -1.987 -1.654 626 H SER 74 H SER 74 20.489 -3.889 3.023 627 HA SER 74 HA SER 74 19.341 -4.172 5.653 628 HB2 SER 74 1HB SER 74 21.742 -4.395 6.370 629 HB3 SER 74 2HB SER 74 21.321 -5.491 5.054 630 HG SER 74 HG SER 74 23.355 -4.337 4.808 631 H LEU 75 H LEU 75 19.272 -2.702 7.275 632 HA LEU 75 HA LEU 75 20.060 0.080 6.858 633 HB2 LEU 75 1HB LEU 75 18.610 -1.374 9.110 634 HB3 LEU 75 2HB LEU 75 19.030 0.327 9.209 635 HG LEU 75 HG LEU 75 17.179 -0.856 7.094 636 HD11 LEU 75 1HD1 LEU 75 16.458 0.618 9.652 637 HD12 LEU 75 2HD1 LEU 75 16.161 -1.086 9.293 638 HD13 LEU 75 3HD1 LEU 75 15.333 0.160 8.366 639 HD21 LEU 75 1HD2 LEU 75 18.253 1.189 6.313 640 HD22 LEU 75 2HD2 LEU 75 17.796 2.037 7.792 641 HD23 LEU 75 3HD2 LEU 75 16.556 1.499 6.657 642 H SER 76 H SER 76 22.333 -1.032 6.660 643 HA SER 76 HA SER 76 23.755 -1.768 9.015 644 HB2 SER 76 1HB SER 76 24.441 -2.401 6.684 645 HB3 SER 76 2HB SER 76 24.875 -0.719 6.374 646 HG SER 76 HG SER 76 25.985 -2.064 8.589 647 H SER 77 H SER 77 23.479 1.257 7.180 648 HA SER 77 HA SER 77 25.172 2.824 8.871 649 HB2 SER 77 1HB SER 77 24.121 4.742 7.524 650 HB3 SER 77 2HB SER 77 24.941 3.501 6.574 651 HG SER 77 HG SER 77 22.143 3.617 7.061 652 H THR 78 H THR 78 24.370 2.423 10.959 653 HA THR 78 HA THR 78 21.907 3.909 11.696 654 HB THR 78 HB THR 78 21.840 2.444 13.764 655 HG1 THR 78 1HG THR 78 24.184 1.572 12.744 656 HG21 THR 78 1HG2 THR 78 21.640 0.905 11.145 657 HG22 THR 78 2HG2 THR 78 20.366 1.914 11.842 658 HG23 THR 78 3HG2 THR 78 20.892 0.448 12.675 659 HA PRO 79 HA PRO 79 24.770 6.521 13.994 660 HB2 PRO 79 2HB PRO 79 23.039 7.888 15.591 661 HB3 PRO 79 1HB PRO 79 23.046 8.118 13.830 662 HG2 PRO 79 2HG PRO 79 21.198 6.431 15.497 663 HG3 PRO 79 1HG PRO 79 20.803 7.554 14.173 664 HD2 PRO 79 2HD PRO 79 20.998 4.846 13.803 665 HD3 PRO 79 1HD PRO 79 21.368 6.020 12.520 666 H GLN 80 H GLN 80 25.240 7.157 16.363 667 HA GLN 80 HA GLN 80 24.973 4.817 18.187 668 HB2 GLN 80 1HB GLN 80 27.253 5.355 19.039 669 HB3 GLN 80 2HB GLN 80 27.270 4.904 17.340 670 HG2 GLN 80 1HG GLN 80 27.555 7.213 16.666 671 HG3 GLN 80 2HG GLN 80 27.351 7.769 18.327 672 HE21 GLN 80 1HE2 GLN 80 30.671 7.123 19.263 673 HE22 GLN 80 2HE2 GLN 80 29.073 7.521 19.781 674 H ALA 81 H ALA 81 25.198 5.364 20.483 675 HA ALA 81 HA ALA 81 24.214 8.076 21.193 676 HB1 ALA 81 1HB ALA 81 22.446 6.357 21.441 677 HB2 ALA 81 2HB ALA 81 22.927 7.008 23.010 678 HB3 ALA 81 3HB ALA 81 23.501 5.419 22.501 679 HA PRO 82 HA PRO 82 28.253 7.585 23.420 680 HB2 PRO 82 2HB PRO 82 28.881 10.242 23.588 681 HB3 PRO 82 1HB PRO 82 29.098 9.314 22.089 682 HG2 PRO 82 2HG PRO 82 26.849 11.159 22.846 683 HG3 PRO 82 1HG PRO 82 27.735 11.042 21.307 684 HD2 PRO 82 2HD PRO 82 25.288 9.878 21.680 685 HD3 PRO 82 1HD PRO 82 26.512 9.197 20.583 686 H VAL 83 H VAL 83 28.325 7.267 25.573 687 HA VAL 83 HA VAL 83 26.430 8.171 27.433 688 HB VAL 83 HB VAL 83 27.812 6.122 27.774 689 HG11 VAL 83 1HG1 VAL 83 30.094 7.962 28.550 690 HG12 VAL 83 2HG1 VAL 83 30.045 6.911 27.137 691 HG13 VAL 83 3HG1 VAL 83 30.064 6.210 28.751 692 HG21 VAL 83 1HG2 VAL 83 27.939 8.062 30.112 693 HG22 VAL 83 2HG2 VAL 83 28.018 6.301 30.222 694 HG23 VAL 83 3HG2 VAL 83 26.544 7.083 29.650 695 H SER 84 H SER 84 26.268 9.963 28.605 696 HA SER 84 HA SER 84 28.424 11.991 28.639 697 HB2 SER 84 1HB SER 84 26.740 12.597 26.902 698 HB3 SER 84 2HB SER 84 25.445 12.493 28.095 699 HG SER 84 HG SER 84 26.215 14.294 29.097 700 H LYS 85 H LYS 85 28.793 12.777 30.629 701 HA LYS 85 HA LYS 85 27.683 11.594 32.932 702 HB2 LYS 85 1HB LYS 85 29.362 14.134 32.712 703 HB3 LYS 85 2HB LYS 85 29.067 13.230 34.198 704 HG2 LYS 85 1HG LYS 85 30.249 11.275 33.243 705 HG3 LYS 85 2HG LYS 85 30.559 12.190 31.763 706 HD2 LYS 85 1HD LYS 85 31.861 13.851 33.104 707 HD3 LYS 85 2HD LYS 85 31.586 12.876 34.549 708 HE2 LYS 85 1HE LYS 85 32.814 10.995 33.476 709 HE3 LYS 85 2HE LYS 85 33.130 12.027 32.076 710 HZ1 LYS 85 1HZ LYS 85 35.015 12.013 33.564 711 HZ2 LYS 85 2HZ LYS 85 34.054 12.520 34.859 712 HZ3 LYS 85 3HZ LYS 85 34.325 13.557 33.552 713 H ARG 86 H ARG 86 26.384 12.411 34.539 714 HA ARG 86 HA ARG 86 24.924 14.951 34.117 715 HB2 ARG 86 1HB ARG 86 23.789 12.338 35.239 716 HB3 ARG 86 2HB ARG 86 22.927 13.872 35.160 717 HG2 ARG 86 1HG ARG 86 23.030 13.802 32.684 718 HG3 ARG 86 2HG ARG 86 23.883 12.257 32.766 719 HD2 ARG 86 1HD ARG 86 21.503 11.908 32.285 720 HD3 ARG 86 2HD ARG 86 21.918 11.237 33.867 721 HE ARG 86 HE ARG 86 20.938 13.925 34.046 722 HH11 ARG 86 1HH1 ARG 86 19.838 10.592 33.741 723 HH12 ARG 86 2HH1 ARG 86 18.288 10.914 34.445 724 HH21 ARG 86 1HH2 ARG 86 18.909 14.330 34.980 725 HH22 ARG 86 2HH2 ARG 86 17.767 13.034 35.143 726 H ARG 87 H ARG 87 25.128 16.307 35.840 727 HA ARG 87 HA ARG 87 26.872 15.540 38.023 728 HB2 ARG 87 1HB ARG 87 25.595 18.191 37.234 729 HB3 ARG 87 2HB ARG 87 26.511 18.008 38.723 730 HG2 ARG 87 1HG ARG 87 27.906 19.011 37.010 731 HG3 ARG 87 2HG ARG 87 28.529 17.413 37.415 732 HD2 ARG 87 1HD ARG 87 28.615 17.872 34.987 733 HD3 ARG 87 2HD ARG 87 27.576 16.492 35.358 734 HE ARG 87 HE ARG 87 26.101 18.949 35.190 735 HH11 ARG 87 1HH1 ARG 87 27.559 16.461 33.176 736 HH12 ARG 87 2HH1 ARG 87 26.483 16.733 31.844 737 HH21 ARG 87 1HH2 ARG 87 24.672 19.266 33.424 738 HH22 ARG 87 2HH2 ARG 87 24.861 18.317 31.986 739 H ALA 88 H ALA 88 25.693 14.042 39.157 740 HA ALA 88 HA ALA 88 23.539 14.983 40.916 741 HB1 ALA 88 1HB ALA 88 22.119 13.022 40.350 742 HB2 ALA 88 2HB ALA 88 23.251 12.562 39.076 743 HB3 ALA 88 3HB ALA 88 22.348 14.073 38.950 744 H ALA 89 H ALA 89 24.121 14.357 42.932 745 HA ALA 89 HA ALA 89 25.883 11.995 43.322 746 HB1 ALA 89 1HB ALA 89 26.996 14.118 43.873 747 HB2 ALA 89 2HB ALA 89 26.743 13.159 45.333 748 HB3 ALA 89 3HB ALA 89 25.694 14.537 44.989 Start of MODEL 20 1 H1 MET 1 1H MET 1 6.544 -6.546 8.651 2 H2 MET 1 2H MET 1 4.915 -6.267 8.307 3 H3 MET 1 3H MET 1 5.878 -5.021 8.921 4 HA MET 1 HA MET 1 5.479 -4.751 6.576 5 HB2 MET 1 1HB MET 1 7.615 -3.975 7.677 6 HB3 MET 1 2HB MET 1 8.379 -5.481 7.183 7 HG2 MET 1 1HG MET 1 8.990 -3.654 5.680 8 HG3 MET 1 2HG MET 1 8.052 -4.875 4.821 9 HE1 MET 1 1HE MET 1 6.367 -0.751 6.108 10 HE2 MET 1 2HE MET 1 8.046 -1.236 6.354 11 HE3 MET 1 3HE MET 1 6.756 -2.005 7.282 12 H ILE 2 H ILE 2 4.270 -6.384 5.570 13 HA ILE 2 HA ILE 2 5.734 -8.738 4.489 14 HB ILE 2 HB ILE 2 2.690 -8.545 4.772 15 HG12 ILE 2 1HG1 ILE 2 4.570 -9.905 6.762 16 HG13 ILE 2 2HG1 ILE 2 3.729 -8.387 7.053 17 HG21 ILE 2 1HG2 ILE 2 4.474 -10.997 4.484 18 HG22 ILE 2 2HG2 ILE 2 3.643 -10.206 3.148 19 HG23 ILE 2 3HG2 ILE 2 2.708 -10.954 4.444 20 HD11 ILE 2 1HD1 ILE 2 1.576 -9.541 6.881 21 HD12 ILE 2 2HD1 ILE 2 2.598 -10.222 8.144 22 HD13 ILE 2 3HD1 ILE 2 2.416 -11.072 6.610 23 H LEU 3 H LEU 3 6.314 -8.181 2.391 24 HA LEU 3 HA LEU 3 4.508 -6.615 0.714 25 HB2 LEU 3 1HB LEU 3 6.941 -6.197 0.523 26 HB3 LEU 3 2HB LEU 3 7.208 -7.873 0.074 27 HG LEU 3 HG LEU 3 5.759 -7.442 -1.998 28 HD11 LEU 3 1HD1 LEU 3 4.567 -5.452 -1.349 29 HD12 LEU 3 2HD1 LEU 3 5.534 -5.109 -2.778 30 HD13 LEU 3 3HD1 LEU 3 6.072 -4.540 -1.195 31 HD21 LEU 3 1HD2 LEU 3 7.567 -6.427 -3.292 32 HD22 LEU 3 2HD2 LEU 3 8.189 -7.611 -2.145 33 HD23 LEU 3 3HD2 LEU 3 8.349 -5.889 -1.804 34 H GLU 4 H GLU 4 2.919 -7.586 -0.385 35 HA GLU 4 HA GLU 4 3.136 -10.423 -1.227 36 HB2 GLU 4 1HB GLU 4 0.608 -8.907 -0.446 37 HB3 GLU 4 2HB GLU 4 0.691 -10.593 -0.944 38 HG2 GLU 4 1HG GLU 4 2.106 -11.050 1.076 39 HG3 GLU 4 2HG GLU 4 1.831 -9.383 1.579 40 H ALA 5 H ALA 5 2.147 -10.945 -3.234 41 HA ALA 5 HA ALA 5 1.336 -8.701 -4.995 42 HB1 ALA 5 1HB ALA 5 3.418 -9.751 -5.781 43 HB2 ALA 5 2HB ALA 5 2.095 -10.079 -6.902 44 HB3 ALA 5 3HB ALA 5 2.637 -11.334 -5.782 45 H HIS 6 H HIS 6 -0.475 -9.083 -6.329 46 HA HIS 6 HA HIS 6 -2.515 -10.752 -5.157 47 HB2 HIS 6 1HB HIS 6 -3.110 -8.507 -5.889 48 HB3 HIS 6 2HB HIS 6 -2.532 -8.836 -7.520 49 HD1 HIS 6 HD1 HIS 6 -4.078 -10.103 -9.092 50 HD2 HIS 6 HD2 HIS 6 -5.649 -9.656 -5.269 51 HE1 HIS 6 HE1 HIS 6 -6.486 -10.768 -9.271 52 HE2 HIS 6 HE2 HIS 6 -7.451 -10.319 -7.007 53 H TYR 7 H TYR 7 -1.998 -12.889 -5.547 54 HA TYR 7 HA TYR 7 -2.018 -13.852 -8.341 55 HB2 TYR 7 2HB TYR 7 -1.192 -15.193 -5.736 56 HB3 TYR 7 1HB TYR 7 -1.428 -16.105 -7.224 57 HD1 TYR 7 1HD TYR 7 0.122 -15.809 -9.138 58 HD2 TYR 7 2HD TYR 7 0.775 -13.747 -5.452 59 HE1 TYR 7 1HE TYR 7 2.420 -15.294 -9.837 60 HE2 TYR 7 2HE TYR 7 3.079 -13.238 -6.151 61 HH TYR 7 HH TYR 7 4.166 -13.681 -9.361 62 H THR 8 H THR 8 -3.513 -14.787 -5.186 63 HA THR 8 HA THR 8 -5.948 -15.618 -6.657 64 HB THR 8 HB THR 8 -6.260 -17.360 -4.821 65 HG1 THR 8 1HG THR 8 -3.680 -17.665 -4.168 66 HG21 THR 8 1HG2 THR 8 -3.778 -17.703 -6.548 67 HG22 THR 8 2HG2 THR 8 -5.436 -18.001 -7.075 68 HG23 THR 8 3HG2 THR 8 -4.716 -19.006 -5.814 69 H ASN 9 H ASN 9 -7.620 -14.494 -6.155 70 HA ASN 9 HA ASN 9 -8.686 -14.025 -3.580 71 HB2 ASN 9 1HB ASN 9 -6.931 -12.178 -3.611 72 HB3 ASN 9 2HB ASN 9 -7.710 -11.498 -5.038 73 HD21 ASN 9 1HD2 ASN 9 -9.337 -9.376 -2.753 74 HD22 ASN 9 2HD2 ASN 9 -8.136 -9.528 -3.989 75 H LEU 10 H LEU 10 -10.957 -13.134 -3.857 76 HA LEU 10 HA LEU 10 -12.114 -13.750 -6.426 77 HB2 LEU 10 1HB LEU 10 -13.252 -13.969 -4.116 78 HB3 LEU 10 2HB LEU 10 -13.525 -12.244 -4.179 79 HG LEU 10 HG LEU 10 -14.650 -14.217 -6.218 80 HD11 LEU 10 1HD1 LEU 10 -15.582 -14.696 -4.015 81 HD12 LEU 10 2HD1 LEU 10 -16.807 -13.985 -5.062 82 HD13 LEU 10 3HD1 LEU 10 -16.039 -13.002 -3.809 83 HD21 LEU 10 1HD2 LEU 10 -15.404 -11.314 -5.722 84 HD22 LEU 10 2HD2 LEU 10 -16.198 -12.414 -6.857 85 HD23 LEU 10 3HD2 LEU 10 -14.523 -11.936 -7.119 86 H LYS 11 H LYS 11 -11.991 -10.724 -4.553 87 HA LYS 11 HA LYS 11 -11.448 -9.160 -6.963 88 HB2 LYS 11 1HB LYS 11 -13.244 -7.527 -6.441 89 HB3 LYS 11 2HB LYS 11 -13.890 -9.114 -6.841 90 HG2 LYS 11 1HG LYS 11 -14.387 -9.581 -4.514 91 HG3 LYS 11 2HG LYS 11 -13.554 -8.112 -3.993 92 HD2 LYS 11 1HD LYS 11 -15.976 -7.761 -3.944 93 HD3 LYS 11 2HD LYS 11 -15.242 -6.737 -5.180 94 HE2 LYS 11 1HE LYS 11 -15.918 -8.436 -6.898 95 HE3 LYS 11 2HE LYS 11 -16.752 -9.332 -5.626 96 HZ1 LYS 11 1HZ LYS 11 -18.252 -7.887 -6.866 97 HZ2 LYS 11 2HZ LYS 11 -17.350 -6.530 -6.413 98 HZ3 LYS 11 3HZ LYS 11 -18.168 -7.431 -5.241 99 H CYS 12 H CYS 12 -10.249 -7.369 -6.575 100 HA CYS 12 HA CYS 12 -8.965 -7.096 -3.991 101 HB2 CYS 12 2HB CYS 12 -8.541 -5.288 -6.396 102 HB3 CYS 12 1HB CYS 12 -7.363 -5.815 -5.185 103 H ARG 13 H ARG 13 -10.128 -6.030 -2.460 104 HA ARG 13 HA ARG 13 -12.330 -4.304 -3.237 105 HB2 ARG 13 1HB ARG 13 -11.478 -5.493 -0.583 106 HB3 ARG 13 2HB ARG 13 -12.836 -4.384 -0.730 107 HG2 ARG 13 1HG ARG 13 -13.983 -5.957 -2.234 108 HG3 ARG 13 2HG ARG 13 -12.609 -7.065 -2.136 109 HD2 ARG 13 1HD ARG 13 -14.524 -7.705 -0.659 110 HD3 ARG 13 2HD ARG 13 -13.013 -7.455 0.216 111 HE ARG 13 HE ARG 13 -13.923 -5.197 0.814 112 HH11 ARG 13 1HH1 ARG 13 -16.166 -7.838 0.125 113 HH12 ARG 13 2HH1 ARG 13 -17.431 -7.165 1.097 114 HH21 ARG 13 1HH2 ARG 13 -15.575 -4.349 2.092 115 HH22 ARG 13 2HH2 ARG 13 -17.096 -5.181 2.216 116 H CYS 14 H CYS 14 -11.119 -2.514 -4.016 117 HA CYS 14 HA CYS 14 -10.804 -0.530 -1.873 118 HB2 CYS 14 2HB CYS 14 -9.003 -0.748 -4.314 119 HB3 CYS 14 1HB CYS 14 -9.016 0.615 -3.197 120 H SER 15 H SER 15 -11.499 1.578 -2.504 121 HA SER 15 HA SER 15 -13.392 1.619 -4.792 122 HB2 SER 15 1HB SER 15 -14.450 1.414 -2.506 123 HB3 SER 15 2HB SER 15 -13.730 2.959 -2.066 124 HG SER 15 HG SER 15 -14.952 3.868 -3.848 125 H GLY 16 H GLY 16 -10.498 2.619 -4.418 126 HA2 GLY 16 1HA GLY 16 -10.032 4.570 -6.045 127 HA3 GLY 16 2HA GLY 16 -10.863 5.532 -4.823 128 H VAL 17 H VAL 17 -8.419 6.386 -5.323 129 HA VAL 17 HA VAL 17 -6.552 5.067 -3.448 130 HB VAL 17 HB VAL 17 -4.707 6.200 -4.652 131 HG11 VAL 17 1HG1 VAL 17 -4.809 4.825 -6.713 132 HG12 VAL 17 2HG1 VAL 17 -6.531 4.552 -6.444 133 HG13 VAL 17 3HG1 VAL 17 -5.347 3.929 -5.291 134 HG21 VAL 17 1HG2 VAL 17 -5.105 7.340 -6.823 135 HG22 VAL 17 2HG2 VAL 17 -5.880 8.195 -5.491 136 HG23 VAL 17 3HG2 VAL 17 -6.849 7.198 -6.578 137 H ILE 18 H ILE 18 -5.732 6.142 -1.755 138 HA ILE 18 HA ILE 18 -6.770 8.826 -1.128 139 HB ILE 18 HB ILE 18 -5.445 6.893 0.832 140 HG12 ILE 18 1HG1 ILE 18 -8.451 7.077 0.294 141 HG13 ILE 18 2HG1 ILE 18 -7.424 5.753 -0.235 142 HG21 ILE 18 1HG2 ILE 18 -6.624 8.219 2.538 143 HG22 ILE 18 2HG2 ILE 18 -7.368 9.205 1.277 144 HG23 ILE 18 3HG2 ILE 18 -5.622 9.261 1.522 145 HD11 ILE 18 1HD1 ILE 18 -8.050 6.496 2.622 146 HD12 ILE 18 2HD1 ILE 18 -6.938 5.219 2.123 147 HD13 ILE 18 3HD1 ILE 18 -8.649 5.104 1.716 148 H SER 19 H SER 19 -5.323 10.468 -1.353 149 HA SER 19 HA SER 19 -2.464 9.944 -1.621 150 HB2 SER 19 1HB SER 19 -4.130 12.475 -1.984 151 HB3 SER 19 2HB SER 19 -2.390 12.384 -2.267 152 HG SER 19 HG SER 19 -4.377 11.714 -3.922 153 H THR 20 H THR 20 -2.966 9.252 0.837 154 HA THR 20 HA THR 20 -1.931 11.458 2.538 155 HB THR 20 HB THR 20 -2.713 10.009 4.492 156 HG1 THR 20 1HG THR 20 -2.947 8.078 3.074 157 HG21 THR 20 1HG2 THR 20 -4.910 10.946 2.615 158 HG22 THR 20 2HG2 THR 20 -4.033 11.970 3.755 159 HG23 THR 20 3HG2 THR 20 -5.074 10.675 4.353 160 H VAL 21 H VAL 21 0.097 11.227 3.243 161 HA VAL 21 HA VAL 21 1.759 8.998 2.664 162 HB VAL 21 HB VAL 21 2.703 11.281 2.929 163 HG11 VAL 21 1HG1 VAL 21 2.156 11.011 5.907 164 HG12 VAL 21 2HG1 VAL 21 1.357 12.130 4.805 165 HG13 VAL 21 3HG1 VAL 21 3.077 12.308 5.136 166 HG21 VAL 21 1HG2 VAL 21 4.183 9.331 3.142 167 HG22 VAL 21 2HG2 VAL 21 3.898 9.283 4.883 168 HG23 VAL 21 3HG2 VAL 21 4.745 10.657 4.167 169 H VAL 22 H VAL 22 1.989 7.118 3.751 170 HA VAL 22 HA VAL 22 0.676 6.774 6.384 171 HB VAL 22 HB VAL 22 1.443 4.572 4.402 172 HG11 VAL 22 1HG1 VAL 22 -0.363 4.498 6.845 173 HG12 VAL 22 2HG1 VAL 22 1.250 3.794 6.727 174 HG13 VAL 22 3HG1 VAL 22 -0.066 3.147 5.744 175 HG21 VAL 22 1HG2 VAL 22 -1.272 5.888 4.785 176 HG22 VAL 22 2HG2 VAL 22 -0.960 4.468 3.782 177 HG23 VAL 22 3HG2 VAL 22 -0.239 6.025 3.362 178 H GLY 23 H GLY 23 1.940 6.385 8.125 179 HA2 GLY 23 1HA GLY 23 4.745 6.672 8.042 180 HA3 GLY 23 2HA GLY 23 3.800 6.207 9.446 181 H LEU 24 H LEU 24 6.410 5.249 8.081 182 HA LEU 24 HA LEU 24 6.051 2.555 7.225 183 HB2 LEU 24 1HB LEU 24 8.515 4.032 8.230 184 HB3 LEU 24 2HB LEU 24 8.570 2.348 7.737 185 HG LEU 24 HG LEU 24 7.824 3.046 5.432 186 HD11 LEU 24 1HD1 LEU 24 8.070 5.412 4.750 187 HD12 LEU 24 2HD1 LEU 24 8.222 5.867 6.448 188 HD13 LEU 24 3HD1 LEU 24 6.723 5.146 5.854 189 HD21 LEU 24 1HD2 LEU 24 10.021 3.900 4.733 190 HD22 LEU 24 2HD2 LEU 24 10.177 2.601 5.913 191 HD23 LEU 24 3HD2 LEU 24 10.414 4.278 6.413 192 H ASN 25 H ASN 25 6.359 4.058 10.305 193 HA ASN 25 HA ASN 25 6.951 1.784 11.916 194 HB2 ASN 25 1HB ASN 25 6.405 3.275 13.818 195 HB3 ASN 25 2HB ASN 25 7.494 4.052 12.679 196 HD21 ASN 25 1HD2 ASN 25 4.706 6.356 13.802 197 HD22 ASN 25 2HD2 ASN 25 5.765 5.295 14.660 198 H ILE 26 H ILE 26 3.998 2.985 10.486 199 HA ILE 26 HA ILE 26 2.367 1.273 12.290 200 HB ILE 26 HB ILE 26 0.381 2.485 11.607 201 HG12 ILE 26 1HG1 ILE 26 2.133 4.163 9.752 202 HG13 ILE 26 2HG1 ILE 26 0.954 2.964 9.241 203 HG21 ILE 26 1HG2 ILE 26 2.579 4.463 12.327 204 HG22 ILE 26 2HG2 ILE 26 1.686 3.447 13.459 205 HG23 ILE 26 3HG2 ILE 26 0.845 4.712 12.564 206 HD11 ILE 26 1HD1 ILE 26 0.331 5.536 10.690 207 HD12 ILE 26 2HD1 ILE 26 -0.846 4.328 10.170 208 HD13 ILE 26 3HD1 ILE 26 0.097 5.211 8.971 209 H ILE 27 H ILE 27 3.463 1.533 8.966 210 HA ILE 27 HA ILE 27 1.542 -0.056 7.642 211 HB ILE 27 HB ILE 27 4.512 0.278 7.006 212 HG12 ILE 27 1HG1 ILE 27 2.079 1.624 5.747 213 HG13 ILE 27 2HG1 ILE 27 3.162 2.378 6.904 214 HG21 ILE 27 1HG2 ILE 27 3.678 -1.790 5.956 215 HG22 ILE 27 2HG2 ILE 27 3.999 -0.562 4.733 216 HG23 ILE 27 3HG2 ILE 27 2.338 -0.899 5.229 217 HD11 ILE 27 1HD1 ILE 27 3.692 3.145 4.707 218 HD12 ILE 27 2HD1 ILE 27 3.863 1.496 4.106 219 HD13 ILE 27 3HD1 ILE 27 5.017 2.136 5.283 220 H ASP 28 H ASP 28 1.102 -2.168 7.693 221 HA ASP 28 HA ASP 28 2.911 -4.081 9.061 222 HB2 ASP 28 1HB ASP 28 0.587 -3.856 9.975 223 HB3 ASP 28 2HB ASP 28 -0.053 -4.364 8.426 224 H ARG 29 H ARG 29 0.941 -3.611 6.142 225 HA ARG 29 HA ARG 29 2.341 -5.759 4.724 226 HB2 ARG 29 1HB ARG 29 0.485 -6.892 5.908 227 HB3 ARG 29 2HB ARG 29 -0.669 -5.754 5.229 228 HG2 ARG 29 1HG ARG 29 -0.115 -6.636 2.941 229 HG3 ARG 29 2HG ARG 29 0.921 -7.848 3.699 230 HD2 ARG 29 1HD ARG 29 -2.050 -7.541 4.278 231 HD3 ARG 29 2HD ARG 29 -1.383 -8.674 3.104 232 HE ARG 29 HE ARG 29 -0.369 -9.901 4.877 233 HH11 ARG 29 1HH1 ARG 29 -2.569 -7.403 6.046 234 HH12 ARG 29 2HH1 ARG 29 -2.762 -8.138 7.603 235 HH21 ARG 29 1HH2 ARG 29 -0.643 -10.846 6.917 236 HH22 ARG 29 2HH2 ARG 29 -1.669 -10.091 8.094 237 H ILE 30 H ILE 30 2.566 -5.256 2.643 238 HA ILE 30 HA ILE 30 0.802 -3.269 1.327 239 HB ILE 30 HB ILE 30 3.831 -3.633 0.988 240 HG12 ILE 30 1HG1 ILE 30 2.231 -1.252 2.022 241 HG13 ILE 30 2HG1 ILE 30 3.207 -2.338 3.001 242 HG21 ILE 30 1HG2 ILE 30 1.999 -1.755 -0.540 243 HG22 ILE 30 2HG2 ILE 30 2.783 -3.192 -1.198 244 HG23 ILE 30 3HG2 ILE 30 3.757 -1.819 -0.673 245 HD11 ILE 30 1HD1 ILE 30 4.223 -0.429 0.900 246 HD12 ILE 30 2HD1 ILE 30 5.216 -1.565 1.820 247 HD13 ILE 30 3HD1 ILE 30 4.358 -0.270 2.653 248 H GLN 31 H GLN 31 -0.467 -4.610 0.084 249 HA GLN 31 HA GLN 31 0.840 -6.679 -1.580 250 HB2 GLN 31 1HB GLN 31 -1.053 -7.507 -0.195 251 HB3 GLN 31 2HB GLN 31 -2.125 -6.326 -0.944 252 HG2 GLN 31 1HG GLN 31 -1.793 -7.414 -3.140 253 HG3 GLN 31 2HG GLN 31 -0.712 -8.591 -2.404 254 HE21 GLN 31 1HE2 GLN 31 -3.759 -9.858 -0.526 255 HE22 GLN 31 2HE2 GLN 31 -2.393 -8.946 0.006 256 H VAL 32 H VAL 32 1.092 -6.236 -3.659 257 HA VAL 32 HA VAL 32 -0.096 -3.856 -4.865 258 HB VAL 32 HB VAL 32 1.354 -4.336 -6.823 259 HG11 VAL 32 1HG1 VAL 32 2.858 -4.384 -4.173 260 HG12 VAL 32 2HG1 VAL 32 2.262 -2.954 -5.014 261 HG13 VAL 32 3HG1 VAL 32 3.546 -3.921 -5.733 262 HG21 VAL 32 1HG2 VAL 32 1.390 -6.813 -6.716 263 HG22 VAL 32 2HG2 VAL 32 2.405 -6.739 -5.274 264 HG23 VAL 32 3HG2 VAL 32 3.016 -6.137 -6.812 265 H THR 33 H THR 33 -1.887 -3.890 -6.032 266 HA THR 33 HA THR 33 -3.025 -6.456 -6.969 267 HB THR 33 HB THR 33 -5.282 -5.327 -6.602 268 HG1 THR 33 1HG THR 33 -4.631 -3.164 -6.451 269 HG21 THR 33 1HG2 THR 33 -4.414 -6.987 -4.991 270 HG22 THR 33 2HG2 THR 33 -5.328 -5.720 -4.169 271 HG23 THR 33 3HG2 THR 33 -3.562 -5.706 -4.122 272 HA PRO 34 HA PRO 34 -2.600 -4.006 -10.906 273 HB2 PRO 34 2HB PRO 34 -2.042 -6.648 -12.138 274 HB3 PRO 34 1HB PRO 34 -1.016 -5.201 -12.093 275 HG2 PRO 34 2HG PRO 34 -0.390 -7.429 -10.706 276 HG3 PRO 34 1HG PRO 34 -0.007 -5.802 -10.093 277 HD2 PRO 34 2HD PRO 34 -2.338 -7.586 -9.366 278 HD3 PRO 34 1HD PRO 34 -1.237 -6.676 -8.301 279 HA PRO 35 HA PRO 35 -6.784 -4.709 -12.008 280 HB2 PRO 35 2HB PRO 35 -6.982 -3.632 -14.512 281 HB3 PRO 35 1HB PRO 35 -6.614 -2.641 -13.087 282 HG2 PRO 35 2HG PRO 35 -4.729 -3.729 -15.153 283 HG3 PRO 35 1HG PRO 35 -4.794 -2.103 -14.434 284 HD2 PRO 35 2HD PRO 35 -3.034 -4.015 -13.578 285 HD3 PRO 35 1HD PRO 35 -3.687 -2.757 -12.504 286 H GLY 36 H GLY 36 -8.319 -5.892 -13.222 287 HA2 GLY 36 1HA GLY 36 -8.252 -7.260 -15.544 288 HA3 GLY 36 2HA GLY 36 -7.347 -8.333 -14.474 289 H ASN 37 H ASN 37 -8.739 -9.987 -14.126 290 HA ASN 37 HA ASN 37 -11.573 -9.547 -13.563 291 HB2 ASN 37 1HB ASN 37 -9.959 -12.133 -13.736 292 HB3 ASN 37 2HB ASN 37 -11.713 -12.036 -13.569 293 HD21 ASN 37 1HD2 ASN 37 -12.297 -11.315 -16.978 294 HD22 ASN 37 2HD2 ASN 37 -12.948 -11.286 -15.378 295 H GLY 38 H GLY 38 -10.982 -8.297 -11.614 296 HA2 GLY 38 1HA GLY 38 -11.632 -9.393 -9.233 297 HA3 GLY 38 2HA GLY 38 -9.901 -9.704 -9.302 298 H CYS 39 H CYS 39 -8.621 -7.672 -10.072 299 HA CYS 39 HA CYS 39 -9.185 -5.508 -8.249 300 HB2 CYS 39 2HB CYS 39 -6.973 -5.795 -10.310 301 HB3 CYS 39 1HB CYS 39 -7.056 -4.560 -9.062 302 HA PRO 40 HA PRO 40 -11.741 -3.306 -11.431 303 HB2 PRO 40 2HB PRO 40 -11.260 -1.113 -9.402 304 HB3 PRO 40 1HB PRO 40 -12.772 -1.588 -10.206 305 HG2 PRO 40 2HG PRO 40 -12.359 -2.274 -7.687 306 HG3 PRO 40 1HG PRO 40 -13.095 -3.439 -8.816 307 HD2 PRO 40 2HD PRO 40 -10.280 -3.357 -7.758 308 HD3 PRO 40 1HD PRO 40 -11.331 -4.758 -8.092 309 H LYS 41 H LYS 41 -8.876 -1.910 -9.837 310 HA LYS 41 HA LYS 41 -7.785 -1.004 -12.394 311 HB2 LYS 41 1HB LYS 41 -7.389 1.317 -11.560 312 HB3 LYS 41 2HB LYS 41 -9.092 0.950 -11.770 313 HG2 LYS 41 1HG LYS 41 -9.445 0.776 -9.402 314 HG3 LYS 41 2HG LYS 41 -7.713 0.788 -9.080 315 HD2 LYS 41 1HD LYS 41 -8.606 2.942 -8.467 316 HD3 LYS 41 2HD LYS 41 -7.618 3.158 -9.910 317 HE2 LYS 41 1HE LYS 41 -10.646 2.917 -9.964 318 HE3 LYS 41 2HE LYS 41 -9.790 4.451 -9.868 319 HZ1 LYS 41 1HZ LYS 41 -8.703 3.875 -11.998 320 HZ2 LYS 41 2HZ LYS 41 -10.379 4.040 -12.123 321 HZ3 LYS 41 3HZ LYS 41 -9.685 2.503 -12.110 322 H THR 42 H THR 42 -5.580 0.065 -12.009 323 HA THR 42 HA THR 42 -3.906 -1.665 -10.503 324 HB THR 42 HB THR 42 -3.121 1.067 -11.613 325 HG1 THR 42 1HG THR 42 -2.572 -0.305 -13.550 326 HG21 THR 42 1HG2 THR 42 -1.516 -1.509 -11.383 327 HG22 THR 42 2HG2 THR 42 -1.393 -0.137 -10.281 328 HG23 THR 42 3HG2 THR 42 -0.925 0.045 -11.975 329 H GLU 43 H GLU 43 -3.899 -1.571 -8.303 330 HA GLU 43 HA GLU 43 -3.453 0.995 -6.931 331 HB2 GLU 43 1HB GLU 43 -5.705 -0.956 -6.259 332 HB3 GLU 43 2HB GLU 43 -5.119 0.247 -5.113 333 HG2 GLU 43 1HG GLU 43 -5.788 2.054 -6.628 334 HG3 GLU 43 2HG GLU 43 -6.316 0.882 -7.832 335 H VAL 44 H VAL 44 -2.804 0.619 -4.638 336 HA VAL 44 HA VAL 44 -1.471 -1.982 -4.157 337 HB VAL 44 HB VAL 44 -0.241 0.778 -3.633 338 HG11 VAL 44 1HG1 VAL 44 1.779 -0.508 -2.939 339 HG12 VAL 44 2HG1 VAL 44 0.843 -1.999 -3.056 340 HG13 VAL 44 3HG1 VAL 44 0.394 -0.766 -1.876 341 HG21 VAL 44 1HG2 VAL 44 -0.127 0.272 -6.010 342 HG22 VAL 44 2HG2 VAL 44 0.508 -1.339 -5.685 343 HG23 VAL 44 3HG2 VAL 44 1.483 0.078 -5.317 344 H VAL 45 H VAL 45 -2.407 -2.794 -2.375 345 HA VAL 45 HA VAL 45 -3.962 -1.030 -0.637 346 HB VAL 45 HB VAL 45 -4.014 -4.070 -0.582 347 HG11 VAL 45 1HG1 VAL 45 -6.063 -2.019 0.331 348 HG12 VAL 45 2HG1 VAL 45 -4.967 -2.922 1.382 349 HG13 VAL 45 3HG1 VAL 45 -6.213 -3.775 0.467 350 HG21 VAL 45 1HG2 VAL 45 -6.070 -3.946 -2.013 351 HG22 VAL 45 2HG2 VAL 45 -4.598 -3.495 -2.866 352 HG23 VAL 45 3HG2 VAL 45 -5.714 -2.244 -2.320 353 H ILE 46 H ILE 46 -3.154 -0.424 1.248 354 HA ILE 46 HA ILE 46 -0.976 -1.939 2.550 355 HB ILE 46 HB ILE 46 -1.782 0.986 2.918 356 HG12 ILE 46 1HG1 ILE 46 0.592 -0.209 1.417 357 HG13 ILE 46 2HG1 ILE 46 -0.792 0.597 0.689 358 HG21 ILE 46 1HG2 ILE 46 0.312 1.208 4.226 359 HG22 ILE 46 2HG2 ILE 46 0.594 -0.526 4.069 360 HG23 ILE 46 3HG2 ILE 46 -0.804 0.061 4.973 361 HD11 ILE 46 1HD1 ILE 46 1.049 2.076 0.697 362 HD12 ILE 46 2HD1 ILE 46 1.330 1.850 2.416 363 HD13 ILE 46 3HD1 ILE 46 -0.126 2.680 1.855 364 H TRP 47 H TRP 47 -1.670 -3.135 4.239 365 HA TRP 47 HA TRP 47 -3.854 -2.238 6.004 366 HB2 TRP 47 2HB TRP 47 -2.252 -4.841 5.857 367 HB3 TRP 47 1HB TRP 47 -3.442 -4.503 7.110 368 HD1 TRP 47 1HD TRP 47 -5.997 -4.792 6.479 369 HE1 TRP 47 1HE TRP 47 -7.218 -5.755 4.432 370 HE3 TRP 47 3HE TRP 47 -2.067 -5.064 3.210 371 HZ2 TRP 47 2HZ TRP 47 -6.610 -6.573 1.816 372 HZ3 TRP 47 3HZ TRP 47 -2.475 -5.959 0.959 373 HH2 TRP 47 2HH TRP 47 -4.700 -6.701 0.269 374 H THR 48 H THR 48 -3.321 -1.175 7.864 375 HA THR 48 HA THR 48 -0.536 -1.083 8.806 376 HB THR 48 HB THR 48 -1.468 0.540 10.512 377 HG1 THR 48 1HG THR 48 -3.840 0.794 9.080 378 HG21 THR 48 1HG2 THR 48 -1.913 2.385 8.938 379 HG22 THR 48 2HG2 THR 48 -2.159 1.226 7.631 380 HG23 THR 48 3HG2 THR 48 -0.564 1.397 8.370 381 H LYS 49 H LYS 49 -0.237 -1.401 11.283 382 HA LYS 49 HA LYS 49 -1.136 -4.007 12.057 383 HB2 LYS 49 1HB LYS 49 0.217 -1.910 13.806 384 HB3 LYS 49 2HB LYS 49 0.041 -3.618 14.193 385 HG2 LYS 49 1HG LYS 49 1.479 -4.169 12.229 386 HG3 LYS 49 2HG LYS 49 1.727 -2.438 11.958 387 HD2 LYS 49 1HD LYS 49 2.575 -4.059 14.392 388 HD3 LYS 49 2HD LYS 49 3.632 -3.365 13.160 389 HE2 LYS 49 1HE LYS 49 1.948 -1.828 15.164 390 HE3 LYS 49 2HE LYS 49 3.704 -1.987 15.158 391 HZ1 LYS 49 1HZ LYS 49 2.040 -0.569 13.158 392 HZ2 LYS 49 2HZ LYS 49 3.693 -0.868 12.970 393 HZ3 LYS 49 3HZ LYS 49 3.155 0.104 14.236 394 H MET 50 H MET 50 -2.321 -0.799 12.587 395 HA MET 50 HA MET 50 -4.201 -1.361 14.691 396 HB2 MET 50 1HB MET 50 -3.993 0.931 12.688 397 HB3 MET 50 2HB MET 50 -5.145 0.898 14.017 398 HG2 MET 50 1HG MET 50 -3.407 1.049 15.647 399 HG3 MET 50 2HG MET 50 -2.157 0.738 14.444 400 HE1 MET 50 1HE MET 50 -3.125 2.565 11.994 401 HE2 MET 50 2HE MET 50 -1.444 2.521 12.535 402 HE3 MET 50 3HE MET 50 -2.263 4.068 12.325 403 H LYS 51 H LYS 51 -4.089 -2.298 11.490 404 HA LYS 51 HA LYS 51 -5.420 -3.519 10.170 405 HB2 LYS 51 1HB LYS 51 -7.547 -3.291 12.330 406 HB3 LYS 51 2HB LYS 51 -7.628 -4.363 10.935 407 HG2 LYS 51 1HG LYS 51 -5.567 -5.522 11.758 408 HG3 LYS 51 2HG LYS 51 -5.609 -4.506 13.203 409 HD2 LYS 51 1HD LYS 51 -7.778 -5.459 13.853 410 HD3 LYS 51 2HD LYS 51 -7.852 -6.393 12.353 411 HE2 LYS 51 1HE LYS 51 -5.760 -6.747 14.531 412 HE3 LYS 51 2HE LYS 51 -7.165 -7.785 14.280 413 HZ1 LYS 51 1HZ LYS 51 -4.997 -7.360 12.298 414 HZ2 LYS 51 2HZ LYS 51 -6.313 -8.405 12.134 415 HZ3 LYS 51 3HZ LYS 51 -5.141 -8.706 13.309 416 H LYS 52 H LYS 52 -5.523 -0.463 10.423 417 HA LYS 52 HA LYS 52 -7.897 0.288 8.956 418 HB2 LYS 52 1HB LYS 52 -5.366 1.776 9.745 419 HB3 LYS 52 2HB LYS 52 -6.457 2.473 8.553 420 HG2 LYS 52 1HG LYS 52 -6.871 3.377 10.811 421 HG3 LYS 52 2HG LYS 52 -8.279 2.527 10.169 422 HD2 LYS 52 1HD LYS 52 -7.692 0.544 11.545 423 HD3 LYS 52 2HD LYS 52 -6.304 1.413 12.196 424 HE2 LYS 52 1HE LYS 52 -9.177 2.336 12.527 425 HE3 LYS 52 2HE LYS 52 -8.322 1.344 13.706 426 HZ1 LYS 52 1HZ LYS 52 -6.693 3.120 13.958 427 HZ2 LYS 52 2HZ LYS 52 -8.251 3.670 14.311 428 HZ3 LYS 52 3HZ LYS 52 -7.528 4.073 12.839 429 H VAL 53 H VAL 53 -8.179 0.319 6.817 430 HA VAL 53 HA VAL 53 -6.095 -0.855 5.085 431 HB VAL 53 HB VAL 53 -9.117 -0.712 4.625 432 HG11 VAL 53 1HG1 VAL 53 -6.994 -2.322 3.158 433 HG12 VAL 53 2HG1 VAL 53 -7.831 -0.899 2.530 434 HG13 VAL 53 3HG1 VAL 53 -8.733 -2.382 2.852 435 HG21 VAL 53 1HG2 VAL 53 -7.473 -3.053 5.631 436 HG22 VAL 53 2HG2 VAL 53 -9.199 -3.085 5.270 437 HG23 VAL 53 3HG2 VAL 53 -8.591 -2.092 6.597 438 H ILE 54 H ILE 54 -5.017 0.708 4.015 439 HA ILE 54 HA ILE 54 -6.455 3.032 2.847 440 HB ILE 54 HB ILE 54 -3.521 2.837 3.721 441 HG12 ILE 54 1HG1 ILE 54 -5.805 4.382 5.046 442 HG13 ILE 54 2HG1 ILE 54 -5.138 2.870 5.646 443 HG21 ILE 54 1HG2 ILE 54 -3.395 5.253 3.251 444 HG22 ILE 54 2HG2 ILE 54 -5.071 5.247 2.699 445 HG23 ILE 54 3HG2 ILE 54 -3.844 4.355 1.798 446 HD11 ILE 54 1HD1 ILE 54 -3.696 5.509 5.457 447 HD12 ILE 54 2HD1 ILE 54 -2.974 3.985 5.986 448 HD13 ILE 54 3HD1 ILE 54 -4.285 4.708 6.913 449 H CYS 55 H CYS 55 -6.537 2.909 0.637 450 HA CYS 55 HA CYS 55 -4.682 1.126 -0.815 451 HB2 CYS 55 2HB CYS 55 -7.401 2.205 -1.691 452 HB3 CYS 55 1HB CYS 55 -6.405 1.061 -2.590 453 H VAL 56 H VAL 56 -3.166 2.103 -1.991 454 HA VAL 56 HA VAL 56 -3.398 4.999 -2.623 455 HB VAL 56 HB VAL 56 -1.002 5.261 -2.184 456 HG11 VAL 56 1HG1 VAL 56 -2.472 3.981 0.145 457 HG12 VAL 56 2HG1 VAL 56 -2.429 5.693 -0.281 458 HG13 VAL 56 3HG1 VAL 56 -0.969 4.890 0.295 459 HG21 VAL 56 1HG2 VAL 56 -0.905 2.367 -1.250 460 HG22 VAL 56 2HG2 VAL 56 0.432 3.518 -1.290 461 HG23 VAL 56 3HG2 VAL 56 -0.284 2.944 -2.798 462 H ASN 57 H ASN 57 -1.899 5.681 -4.359 463 HA ASN 57 HA ASN 57 -2.133 3.950 -6.681 464 HB2 ASN 57 1HB ASN 57 -1.395 5.964 -7.937 465 HB3 ASN 57 2HB ASN 57 -2.725 6.331 -6.854 466 HD21 ASN 57 1HD2 ASN 57 0.837 8.184 -6.388 467 HD22 ASN 57 2HD2 ASN 57 0.593 6.961 -7.582 468 HA PRO 58 HA PRO 58 1.944 2.144 -6.557 469 HB2 PRO 58 2HB PRO 58 2.586 1.985 -9.268 470 HB3 PRO 58 1HB PRO 58 1.443 0.904 -8.448 471 HG2 PRO 58 2HG PRO 58 0.846 3.380 -10.048 472 HG3 PRO 58 1HG PRO 58 0.082 1.780 -10.131 473 HD2 PRO 58 2HD PRO 58 -1.121 3.740 -8.793 474 HD3 PRO 58 1HD PRO 58 -1.108 2.089 -8.120 475 H ARG 59 H ARG 59 1.633 5.132 -8.406 476 HA ARG 59 HA ARG 59 4.513 5.582 -8.559 477 HB2 ARG 59 1HB ARG 59 2.869 6.066 -10.444 478 HB3 ARG 59 2HB ARG 59 2.250 7.403 -9.489 479 HG2 ARG 59 1HG ARG 59 4.371 8.578 -9.664 480 HG3 ARG 59 2HG ARG 59 5.127 7.186 -10.439 481 HD2 ARG 59 1HD ARG 59 3.517 7.452 -12.349 482 HD3 ARG 59 2HD ARG 59 2.921 8.929 -11.580 483 HE ARG 59 HE ARG 59 5.620 9.323 -11.765 484 HH11 ARG 59 1HH1 ARG 59 3.108 8.591 -14.118 485 HH12 ARG 59 2HH1 ARG 59 3.920 9.390 -15.423 486 HH21 ARG 59 1HH2 ARG 59 6.694 10.356 -13.479 487 HH22 ARG 59 2HH2 ARG 59 5.965 10.399 -15.056 488 H ALA 60 H ALA 60 2.588 5.850 -5.986 489 HA ALA 60 HA ALA 60 2.862 8.490 -5.016 490 HB1 ALA 60 1HB ALA 60 2.414 7.509 -2.771 491 HB2 ALA 60 2HB ALA 60 2.606 5.894 -3.460 492 HB3 ALA 60 3HB ALA 60 1.292 6.930 -4.005 493 H LYS 61 H LYS 61 4.483 9.539 -4.045 494 HA LYS 61 HA LYS 61 7.090 8.932 -4.833 495 HB2 LYS 61 1HB LYS 61 7.719 11.011 -3.620 496 HB3 LYS 61 2HB LYS 61 6.266 11.227 -4.587 497 HG2 LYS 61 1HG LYS 61 4.904 10.899 -2.479 498 HG3 LYS 61 2HG LYS 61 6.421 10.900 -1.580 499 HD2 LYS 61 1HD LYS 61 5.514 13.109 -1.408 500 HD3 LYS 61 2HD LYS 61 6.878 13.210 -2.520 501 HE2 LYS 61 1HE LYS 61 5.358 13.244 -4.429 502 HE3 LYS 61 2HE LYS 61 3.972 13.000 -3.363 503 HZ1 LYS 61 1HZ LYS 61 4.423 15.146 -2.336 504 HZ2 LYS 61 2HZ LYS 61 4.194 15.316 -4.002 505 HZ3 LYS 61 3HZ LYS 61 5.752 15.388 -3.357 506 H TRP 62 H TRP 62 5.699 8.907 -1.556 507 HA TRP 62 HA TRP 62 8.071 8.077 -0.194 508 HB2 TRP 62 2HB TRP 62 6.503 7.824 1.783 509 HB3 TRP 62 1HB TRP 62 6.424 9.408 1.009 510 HD1 TRP 62 1HD TRP 62 4.141 10.046 -0.285 511 HE1 TRP 62 1HE TRP 62 1.785 9.023 -0.269 512 HE3 TRP 62 3HE TRP 62 5.163 5.615 2.052 513 HZ2 TRP 62 2HZ TRP 62 0.527 6.706 0.614 514 HZ3 TRP 62 3HZ TRP 62 3.314 4.038 2.439 515 HH2 TRP 62 2HH TRP 62 1.039 4.577 1.734 516 H LEU 63 H LEU 63 5.335 6.473 -1.656 517 HA LEU 63 HA LEU 63 5.512 3.924 -0.465 518 HB2 LEU 63 1HB LEU 63 3.550 4.680 -1.746 519 HB3 LEU 63 2HB LEU 63 4.516 4.748 -3.211 520 HG LEU 63 HG LEU 63 4.852 2.226 -2.988 521 HD11 LEU 63 1HD1 LEU 63 4.328 1.903 -0.657 522 HD12 LEU 63 2HD1 LEU 63 3.231 0.955 -1.654 523 HD13 LEU 63 3HD1 LEU 63 2.675 2.457 -0.915 524 HD21 LEU 63 1HD2 LEU 63 2.639 1.680 -3.923 525 HD22 LEU 63 2HD2 LEU 63 3.354 3.115 -4.641 526 HD23 LEU 63 3HD2 LEU 63 2.057 3.275 -3.458 527 H GLN 64 H GLN 64 7.118 5.362 -3.301 528 HA GLN 64 HA GLN 64 8.338 3.098 -4.387 529 HB2 GLN 64 1HB GLN 64 9.246 6.003 -4.336 530 HB3 GLN 64 2HB GLN 64 10.076 4.759 -5.271 531 HG2 GLN 64 1HG GLN 64 7.162 5.542 -5.612 532 HG3 GLN 64 2HG GLN 64 8.493 6.064 -6.647 533 HE21 GLN 64 1HE2 GLN 64 6.661 2.970 -7.950 534 HE22 GLN 64 2HE2 GLN 64 6.047 4.386 -7.181 535 H ARG 65 H ARG 65 9.381 5.177 -1.747 536 HA ARG 65 HA ARG 65 11.924 4.173 -1.185 537 HB2 ARG 65 1HB ARG 65 9.816 5.194 0.775 538 HB3 ARG 65 2HB ARG 65 11.514 4.964 1.170 539 HG2 ARG 65 1HG ARG 65 12.133 6.709 -0.472 540 HG3 ARG 65 2HG ARG 65 10.431 6.944 -0.870 541 HD2 ARG 65 1HD ARG 65 9.989 7.655 1.466 542 HD3 ARG 65 2HD ARG 65 11.699 7.422 1.856 543 HE ARG 65 HE ARG 65 11.706 9.173 -0.259 544 HH11 ARG 65 1HH1 ARG 65 10.231 9.240 2.952 545 HH12 ARG 65 2HH1 ARG 65 10.288 10.968 3.076 546 HH21 ARG 65 1HH2 ARG 65 11.791 11.426 -0.073 547 HH22 ARG 65 2HH2 ARG 65 11.178 12.214 1.349 548 H LEU 66 H LEU 66 8.711 3.112 -0.113 549 HA LEU 66 HA LEU 66 9.536 0.922 1.496 550 HB2 LEU 66 1HB LEU 66 6.886 1.684 0.232 551 HB3 LEU 66 2HB LEU 66 7.062 0.132 1.012 552 HG LEU 66 HG LEU 66 5.945 1.720 2.494 553 HD11 LEU 66 1HD1 LEU 66 7.159 1.360 4.503 554 HD12 LEU 66 2HD1 LEU 66 8.685 1.163 3.656 555 HD13 LEU 66 3HD1 LEU 66 7.409 -0.049 3.475 556 HD21 LEU 66 1HD2 LEU 66 6.987 3.717 3.389 557 HD22 LEU 66 2HD2 LEU 66 6.919 3.819 1.633 558 HD23 LEU 66 3HD2 LEU 66 8.445 3.438 2.435 559 H LEU 67 H LEU 67 8.390 1.098 -1.874 560 HA LEU 67 HA LEU 67 8.096 -1.630 -2.363 561 HB2 LEU 67 1HB LEU 67 8.704 0.597 -4.360 562 HB3 LEU 67 2HB LEU 67 8.218 -1.029 -4.814 563 HG LEU 67 HG LEU 67 6.509 0.969 -3.277 564 HD11 LEU 67 1HD1 LEU 67 5.141 1.102 -5.302 565 HD12 LEU 67 2HD1 LEU 67 6.247 0.016 -6.147 566 HD13 LEU 67 3HD1 LEU 67 6.800 1.608 -5.619 567 HD21 LEU 67 1HD2 LEU 67 5.934 -1.283 -2.560 568 HD22 LEU 67 2HD2 LEU 67 5.794 -1.826 -4.232 569 HD23 LEU 67 3HD2 LEU 67 4.651 -0.646 -3.585 570 H ARG 68 H ARG 68 10.978 0.432 -2.717 571 HA ARG 68 HA ARG 68 12.584 -1.770 -3.739 572 HB2 ARG 68 1HB ARG 68 12.904 0.768 -4.263 573 HB3 ARG 68 2HB ARG 68 13.728 0.842 -2.711 574 HG2 ARG 68 1HG ARG 68 15.245 -1.042 -3.588 575 HG3 ARG 68 2HG ARG 68 14.524 -0.748 -5.169 576 HD2 ARG 68 1HD ARG 68 15.272 1.703 -4.866 577 HD3 ARG 68 2HD ARG 68 16.240 1.123 -3.515 578 HE ARG 68 HE ARG 68 16.915 1.013 -6.244 579 HH11 ARG 68 1HH1 ARG 68 17.151 -1.117 -3.437 580 HH12 ARG 68 2HH1 ARG 68 18.545 -1.934 -4.047 581 HH21 ARG 68 1HH2 ARG 68 18.778 -0.027 -6.954 582 HH22 ARG 68 2HH2 ARG 68 19.465 -1.320 -6.027 583 H HIS 69 H HIS 69 12.171 -0.060 -0.624 584 HA HIS 69 HA HIS 69 14.546 -1.080 0.595 585 HB2 HIS 69 1HB HIS 69 13.341 1.029 1.288 586 HB3 HIS 69 2HB HIS 69 12.097 0.038 2.036 587 HD1 HIS 69 HD1 HIS 69 12.789 -1.279 4.214 588 HD2 HIS 69 HD2 HIS 69 15.679 1.330 2.744 589 HE1 HIS 69 HE1 HIS 69 14.484 -1.031 6.051 590 HE2 HIS 69 HE2 HIS 69 16.318 0.349 5.035 591 H VAL 70 H VAL 70 11.198 -2.208 0.601 592 HA VAL 70 HA VAL 70 11.370 -4.081 2.709 593 HB VAL 70 HB VAL 70 9.337 -5.149 1.756 594 HG11 VAL 70 1HG1 VAL 70 7.819 -3.219 1.940 595 HG12 VAL 70 2HG1 VAL 70 9.185 -2.113 1.768 596 HG13 VAL 70 3HG1 VAL 70 9.077 -3.168 3.178 597 HG21 VAL 70 1HG2 VAL 70 9.856 -4.954 -0.650 598 HG22 VAL 70 2HG2 VAL 70 9.628 -3.206 -0.569 599 HG23 VAL 70 3HG2 VAL 70 8.266 -4.287 -0.276 600 H GLN 71 H GLN 71 12.228 -4.280 -0.688 601 HA GLN 71 HA GLN 71 12.976 -7.076 -0.661 602 HB2 GLN 71 1HB GLN 71 13.665 -4.855 -2.652 603 HB3 GLN 71 2HB GLN 71 13.979 -6.568 -2.898 604 HG2 GLN 71 1HG GLN 71 11.571 -7.035 -2.891 605 HG3 GLN 71 2HG GLN 71 11.232 -5.325 -2.604 606 HE21 GLN 71 1HE2 GLN 71 11.664 -4.372 -5.965 607 HE22 GLN 71 2HE2 GLN 71 11.441 -3.865 -4.331 608 H SER 72 H SER 72 14.999 -4.234 -1.369 609 HA SER 72 HA SER 72 16.755 -4.254 0.800 610 HB2 SER 72 1HB SER 72 17.523 -6.475 -0.129 611 HB3 SER 72 2HB SER 72 17.938 -5.682 -1.645 612 HG SER 72 HG SER 72 19.814 -5.463 -0.684 613 H LYS 73 H LYS 73 18.302 -2.589 0.604 614 HA LYS 73 HA LYS 73 19.181 -1.485 -1.861 615 HB2 LYS 73 1HB LYS 73 18.276 0.779 -1.681 616 HB3 LYS 73 2HB LYS 73 16.962 -0.379 -1.823 617 HG2 LYS 73 1HG LYS 73 16.361 -0.126 0.481 618 HG3 LYS 73 2HG LYS 73 17.838 0.768 0.847 619 HD2 LYS 73 1HD LYS 73 15.560 1.734 -0.933 620 HD3 LYS 73 2HD LYS 73 15.899 2.288 0.710 621 HE2 LYS 73 1HE LYS 73 18.141 3.101 -0.104 622 HE3 LYS 73 2HE LYS 73 17.646 2.669 -1.740 623 HZ1 LYS 73 1HZ LYS 73 15.763 4.223 -1.494 624 HZ2 LYS 73 2HZ LYS 73 17.263 4.997 -1.388 625 HZ3 LYS 73 3HZ LYS 73 16.361 4.704 0.012 626 H SER 74 H SER 74 20.599 0.465 -1.470 627 HA SER 74 HA SER 74 22.444 0.134 0.637 628 HB2 SER 74 1HB SER 74 23.027 1.265 -1.485 629 HB3 SER 74 2HB SER 74 21.910 2.577 -1.113 630 HG SER 74 HG SER 74 24.264 1.869 0.308 631 H LEU 75 H LEU 75 22.854 1.543 2.469 632 HA LEU 75 HA LEU 75 20.712 1.619 4.205 633 HB2 LEU 75 1HB LEU 75 23.176 1.529 4.792 634 HB3 LEU 75 2HB LEU 75 23.270 3.250 4.502 635 HG LEU 75 HG LEU 75 23.165 2.455 6.959 636 HD11 LEU 75 1HD1 LEU 75 21.829 4.329 7.756 637 HD12 LEU 75 2HD1 LEU 75 21.133 4.546 6.148 638 HD13 LEU 75 3HD1 LEU 75 22.858 4.812 6.407 639 HD21 LEU 75 1HD2 LEU 75 21.357 0.784 6.646 640 HD22 LEU 75 2HD2 LEU 75 20.209 2.102 6.390 641 HD23 LEU 75 3HD2 LEU 75 21.024 1.930 7.945 642 H SER 76 H SER 76 18.950 2.816 4.061 643 HA SER 76 HA SER 76 19.080 5.700 3.400 644 HB2 SER 76 1HB SER 76 18.076 4.292 1.587 645 HB3 SER 76 2HB SER 76 16.858 3.722 2.727 646 HG SER 76 HG SER 76 17.119 6.473 2.525 647 H SER 77 H SER 77 19.387 5.918 5.694 648 HA SER 77 HA SER 77 16.832 6.170 7.131 649 HB2 SER 77 1HB SER 77 19.350 4.922 8.340 650 HB3 SER 77 2HB SER 77 17.892 5.337 9.240 651 HG SER 77 HG SER 77 17.335 3.781 7.072 652 H THR 78 H THR 78 16.805 7.910 8.587 653 HA THR 78 HA THR 78 19.076 9.821 8.438 654 HB THR 78 HB THR 78 17.305 11.632 8.526 655 HG1 THR 78 1HG THR 78 15.563 10.399 9.321 656 HG21 THR 78 1HG2 THR 78 18.329 11.021 6.353 657 HG22 THR 78 2HG2 THR 78 16.640 11.490 6.153 658 HG23 THR 78 3HG2 THR 78 17.092 9.783 6.114 659 HA PRO 79 HA PRO 79 18.892 9.904 12.964 660 HB2 PRO 79 2HB PRO 79 19.607 12.549 13.463 661 HB3 PRO 79 1HB PRO 79 20.768 11.274 13.046 662 HG2 PRO 79 2HG PRO 79 19.541 13.350 11.261 663 HG3 PRO 79 1HG PRO 79 21.226 12.784 11.340 664 HD2 PRO 79 2HD PRO 79 19.554 11.897 9.416 665 HD3 PRO 79 1HD PRO 79 20.774 10.824 10.144 666 H GLN 80 H GLN 80 17.351 10.342 14.488 667 HA GLN 80 HA GLN 80 14.909 11.699 13.549 668 HB2 GLN 80 1HB GLN 80 13.709 10.326 15.307 669 HB3 GLN 80 2HB GLN 80 14.422 9.412 13.995 670 HG2 GLN 80 1HG GLN 80 14.729 8.164 15.991 671 HG3 GLN 80 2HG GLN 80 16.307 8.786 15.561 672 HE21 GLN 80 1HE2 GLN 80 16.678 10.643 18.538 673 HE22 GLN 80 2HE2 GLN 80 17.265 10.393 16.936 674 H ALA 81 H ALA 81 13.495 12.641 15.314 675 HA ALA 81 HA ALA 81 15.043 14.074 17.390 676 HB1 ALA 81 1HB ALA 81 13.700 16.097 16.945 677 HB2 ALA 81 2HB ALA 81 12.870 15.278 15.619 678 HB3 ALA 81 3HB ALA 81 14.599 15.619 15.508 679 HA PRO 82 HA PRO 82 11.600 11.791 19.397 680 HB2 PRO 82 2HB PRO 82 12.825 11.351 21.810 681 HB3 PRO 82 1HB PRO 82 13.161 10.377 20.366 682 HG2 PRO 82 2HG PRO 82 14.779 12.570 21.575 683 HG3 PRO 82 1HG PRO 82 15.319 11.074 20.784 684 HD2 PRO 82 2HD PRO 82 15.286 13.576 19.568 685 HD3 PRO 82 1HD PRO 82 15.295 12.033 18.694 686 H VAL 83 H VAL 83 13.420 14.042 21.611 687 HA VAL 83 HA VAL 83 10.803 14.998 22.643 688 HB VAL 83 HB VAL 83 13.467 14.999 24.144 689 HG11 VAL 83 1HG1 VAL 83 10.633 15.443 25.150 690 HG12 VAL 83 2HG1 VAL 83 11.873 16.684 24.953 691 HG13 VAL 83 3HG1 VAL 83 12.090 15.405 26.150 692 HG21 VAL 83 1HG2 VAL 83 12.820 12.675 23.699 693 HG22 VAL 83 2HG2 VAL 83 11.215 12.969 24.370 694 HG23 VAL 83 3HG2 VAL 83 12.635 13.047 25.417 695 H SER 84 H SER 84 10.374 17.138 22.572 696 HA SER 84 HA SER 84 12.558 19.097 22.187 697 HB2 SER 84 1HB SER 84 11.273 18.762 20.051 698 HB3 SER 84 2HB SER 84 9.794 19.233 20.886 699 HG SER 84 HG SER 84 12.108 20.809 20.415 700 H LYS 85 H LYS 85 11.793 21.338 22.884 701 HA LYS 85 HA LYS 85 10.644 21.219 25.518 702 HB2 LYS 85 1HB LYS 85 11.496 23.589 23.803 703 HB3 LYS 85 2HB LYS 85 10.969 23.724 25.478 704 HG2 LYS 85 1HG LYS 85 13.393 22.156 24.530 705 HG3 LYS 85 2HG LYS 85 13.439 23.774 25.235 706 HD2 LYS 85 1HD LYS 85 12.446 22.841 27.339 707 HD3 LYS 85 2HD LYS 85 12.508 21.227 26.623 708 HE2 LYS 85 1HE LYS 85 14.907 23.011 27.186 709 HE3 LYS 85 2HE LYS 85 14.412 21.611 28.137 710 HZ1 LYS 85 1HZ LYS 85 15.284 21.552 25.297 711 HZ2 LYS 85 2HZ LYS 85 14.805 20.213 26.207 712 HZ3 LYS 85 3HZ LYS 85 16.203 21.060 26.628 713 H ARG 86 H ARG 86 8.563 20.581 25.406 714 HA ARG 86 HA ARG 86 6.576 21.747 23.640 715 HB2 ARG 86 1HB ARG 86 6.242 19.890 26.036 716 HB3 ARG 86 2HB ARG 86 5.002 20.255 24.839 717 HG2 ARG 86 1HG ARG 86 6.345 19.142 23.098 718 HG3 ARG 86 2HG ARG 86 7.612 18.808 24.283 719 HD2 ARG 86 1HD ARG 86 4.770 17.730 24.345 720 HD3 ARG 86 2HD ARG 86 6.226 16.823 23.918 721 HE ARG 86 HE ARG 86 6.703 17.818 26.444 722 HH11 ARG 86 1HH1 ARG 86 4.277 15.674 25.040 723 HH12 ARG 86 2HH1 ARG 86 4.033 14.797 26.520 724 HH21 ARG 86 1HH2 ARG 86 6.354 16.651 28.377 725 HH22 ARG 86 2HH2 ARG 86 5.206 15.347 28.398 726 H ARG 87 H ARG 87 5.015 23.259 24.184 727 HA ARG 87 HA ARG 87 5.393 24.925 26.515 728 HB2 ARG 87 1HB ARG 87 4.724 25.749 24.202 729 HB3 ARG 87 2HB ARG 87 3.142 25.039 24.444 730 HG2 ARG 87 1HG ARG 87 4.267 27.174 26.287 731 HG3 ARG 87 2HG ARG 87 3.388 27.572 24.817 732 HD2 ARG 87 1HD ARG 87 1.410 26.336 25.710 733 HD3 ARG 87 2HD ARG 87 2.301 26.034 27.203 734 HE ARG 87 HE ARG 87 2.261 28.801 26.717 735 HH11 ARG 87 1HH1 ARG 87 0.028 26.217 27.647 736 HH12 ARG 87 2HH1 ARG 87 -1.032 27.295 28.506 737 HH21 ARG 87 1HH2 ARG 87 0.808 30.182 27.803 738 HH22 ARG 87 2HH2 ARG 87 -0.595 29.512 28.591 739 H ALA 88 H ALA 88 4.278 24.833 28.400 740 HA ALA 88 HA ALA 88 1.752 23.353 28.647 741 HB1 ALA 88 1HB ALA 88 2.547 22.228 30.704 742 HB2 ALA 88 2HB ALA 88 4.157 22.917 30.473 743 HB3 ALA 88 3HB ALA 88 3.517 21.751 29.310 744 H ALA 89 H ALA 89 0.665 23.900 30.735 745 HA ALA 89 HA ALA 89 1.225 26.684 31.602 746 HB1 ALA 89 1HB ALA 89 -1.474 25.302 31.340 747 HB2 ALA 89 2HB ALA 89 -0.832 26.540 30.258 748 HB3 ALA 89 3HB ALA 89 -1.209 26.944 31.934
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